smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccsc1 79018716 CCLXOWAJJJKHGS-UHFFFAOYSA-N 304.371 2.711 0 40 DFAB CCOC(=O)c1csc(CNC(=O)CC2=CCCCC2)n1 79310378 NRDIIDVVKOLGKO-UHFFFAOYSA-N 308.403 2.827 0 40 DFAB CCCCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725281 JKHQQJHMXHTDKD-UHFFFAOYSA-N 304.268 2.773 0 40 DFAB aggregator Cc1noc([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1 56131948 MJGWJMMWPKKFIH-LBPRGKRZSA-N 317.414 2.948 0 40 DFAB CC(C)(C)CC(=O)NCC(=O)NCCc1ccc(Cl)s1 56362801 WHFRDXBUCHFYIF-UHFFFAOYSA-N 316.854 2.613 0 40 DFAB CC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3607224 MNNRKYMLNAYZSD-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB Cc1cccc(OCCCN2Cc3ccccc3C[C@@H]2C(N)=O)c1 35287012 ZLEHWEVPKYGVER-LJQANCHMSA-N 324.424 2.676 0 40 DFAB CCOc1ccc(OCCC(=O)Nc2nnc(C)s2)cc1 7777554 LXAHDBJTNCBKLU-UHFFFAOYSA-N 307.375 2.653 0 40 DFAB Cc1ccnc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1 97375686 IRLJPXWKFQJPDK-UHFFFAOYSA-N 324.214 2.954 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 97376289 JDQPHAKPCMGDHK-IAGOWNOFSA-N 320.477 2.859 0 40 DFAB CCOC(=O)CSc1nc2ccc(Br)cc2[nH]1 8581235 SRMIQGPKTZOKKT-UHFFFAOYSA-N 315.192 2.981 0 40 DFAB CCc1nc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cs1 58202643 DMWVQZRFSNOJDT-UHFFFAOYSA-N 300.387 2.854 0 40 DFAB O=C1CCCc2cc(OCc3nnnn3-c3ccccc3)ccc21 58289712 UMLCJKWXSGXHHI-UHFFFAOYSA-N 320.352 2.760 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 58296711 VSXKVYHWGWJSDG-UHFFFAOYSA-N 321.423 2.893 0 40 DFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)nn1 58265055 SMESNNZYKYLURI-HOCLYGCPSA-N 311.385 2.981 0 40 DFAB COCc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 58420313 LVSWOXYLRPFUPJ-KRWDZBQOSA-N 302.418 2.533 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842134 NPMJNCNWCFLOOX-GFCCVEGCSA-N 303.406 2.608 0 40 DFAB O=C(NC[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccs1 57731374 PESOWISDGQIIJC-GFCCVEGCSA-N 318.398 2.623 0 40 DFAB CC(C)(C)c1ccc(OCC(=O)N2CCN3CCC[C@@H]3C2)cc1 28233514 ZMSWWRTVUFTXLN-MRXNPFEDSA-N 316.445 2.670 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@@H]2c2cccs2)cn1 46994544 NDKMXLNMKNZUCD-CYBMUJFWSA-N 304.419 2.571 0 40 DFAB COc1cccc(N2C(=O)/C(=C/c3ccco3)NC2=S)c1 104991111 FLCZAWRFJPEFJJ-LCYFTJDESA-N 300.339 2.550 0 40 DFAB COc1cc(C(C)=O)ccc1SCC(=O)Nc1cc(C)n[nH]1 61621638 KWPDPVIOJCTNNC-UHFFFAOYSA-N 319.386 2.660 0 40 DFAB Cc1noc(C)c1[C@H](C)N[C@@H](C)C(=O)NCc1ccccc1F 95397388 IKIQBMSQIDGKNP-JQWIXIFHSA-N 319.380 2.786 0 40 DFAB O=C(Cc1ccsc1)Nc1cccc(C(=O)NC2CC2)c1 12796275 OQFJZFRSQUINDD-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB CC(C)N(CC(N)=O)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 3424613 UHZADCBYLRMASN-GQCTYLIASA-N 315.200 2.729 0 40 DFAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnccn1 12920923 SUWLWHVZTMIXBF-UHFFFAOYSA-N 305.721 2.544 0 40 DFAB CSc1nnc(COc2ccc(N3CCCC3=O)cc2)s1 95389742 RSXAODHOGOMXEC-UHFFFAOYSA-N 321.427 2.966 0 40 DFAB Cc1ccc(CCc2nc(CNC(=O)c3ccccc3)no2)o1 95406570 BGSJNLWMPUCPDH-UHFFFAOYSA-N 311.341 2.686 0 40 DFAB COc1ccc(Br)cc1CN1CCC[C@@H]1C(=O)O 49597181 QMJZHSBGUYVJOZ-LLVKDONJSA-N 314.179 2.507 0 40 DFAB Cc1cccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c1 4169528 KGERADQKQHXFIL-INIZCTEOSA-N 321.384 2.782 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)CCCNc1ncccn1 49623885 LUYLWGXQRJSEMC-LBPRGKRZSA-N 316.430 2.876 0 40 DFAB Cc1ccc2c(Cl)c(C(=O)NN3CCN(C)CC3)sc2c1 6206783 AYSNEMUNQMTEKH-UHFFFAOYSA-N 323.849 2.755 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)NCCCN2CCCCC2)on1 65440237 AAANSIGYDDNICZ-OAHLLOKOSA-N 320.437 2.706 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 14241874 OUSFHMHRZKSACN-ZDUSSCGKSA-N 317.410 2.890 0 40 DFAB Cn1ccnc1CN(C(=O)c1cn(C)c2ccccc12)C1CC1 6676385 FIFKSHBHCWGKBG-UHFFFAOYSA-N 308.385 2.717 0 40 DFAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)CCC2 15366409 YQHUOLRJKGRVFV-GFCCVEGCSA-N 324.380 2.680 0 40 DFAB Cc1c(O)ccc2c(CSc3nncs3)cc(=O)oc12 7194129 IOSJMEKUMBQQQX-UHFFFAOYSA-N 306.368 2.951 0 40 DFAB CN(Cc1nc(-c2ccccc2)c[nH]1)[C@H](C(N)=O)c1ccccc1 95418870 GZXXUXCXWUFZGU-SFHVURJKSA-N 320.396 2.735 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(Cl)c1 8077049 YJOVJSDPMWCONT-UHFFFAOYSA-N 312.797 2.871 0 40 DFAB O=S(=O)(NCCc1cccc(Cl)c1)c1cccs1 8167881 KAQFCUQFBKUIAQ-UHFFFAOYSA-N 301.820 2.923 0 40 DFAB Cc1nc(C(=O)N[C@@H]2CCc3c(O)cccc32)c2n1CCCC2 81726820 LXNDUCOBVDQLND-CQSZACIVSA-N 311.385 2.651 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9827745 CUZODFZBPBRPDE-UHFFFAOYSA-N 310.353 2.761 0 40 DFAB Cc1cc(NC(=O)c2ccnn2C)n(-c2ccc(Cl)cc2)n1 84105030 YRXBCEVSYZXOHU-UHFFFAOYSA-N 315.764 2.820 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 69652436 ZJNYXILYITYRBD-MRXNPFEDSA-N 314.433 2.978 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)on1 72295616 DKSKXXXCUJKSRB-RYUDHWBXSA-N 302.378 2.931 0 40 DFAB COc1cc(NC(=O)CN2CCc3ccccc32)cc(OC)c1 8710812 AYUNWWOUNAYJAF-UHFFFAOYSA-N 312.369 2.705 0 40 DFAB COc1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 8918980 LECYASWZJYQANP-UHFFFAOYSA-N 310.353 2.510 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)C1=COCCC1 97145645 QFGQCLASIGSFGK-AWEZNQCLSA-N 301.386 2.926 0 40 DFAB CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccncc1 95635179 SZVQIXXGIFSJKL-LBPRGKRZSA-N 308.378 2.989 0 40 DFAB CSC(C)(C)CNC(=O)Nc1cnn(-c2ccccn2)c1 95962294 FHYDISHHPQMOIL-UHFFFAOYSA-N 305.407 2.530 0 40 DFAB Cc1nc(-c2ccc(NC(=O)c3cc(C)on3)cc2Cl)n[nH]1 95987195 ITBPGKFNWCVQAO-UHFFFAOYSA-N 317.736 2.982 0 40 DFAB CCCC[C@@H](NCc1cccc(C(N)=O)c1)C(=O)OC(C)(C)C 95943139 TXDGJFMTHBUKBK-OAHLLOKOSA-N 320.433 2.776 0 40 DFAB Cc1cccnc1NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 75136758 KXVMDSRNEGPVEU-LBPRGKRZSA-N 321.446 2.666 0 40 DFAB Cc1nnc2n1CCC[C@H]2NC(=O)C1C2CC3CC(C2)CC1C3 89740905 ACZUMEXLZGKISW-BAPHQMLMSA-N 314.433 2.610 0 40 DFAB CN(C)Cc1csc(CNC(=O)N[C@@H]2CC23CCCCC3)n1 1548453489 HBOREYGKOOGAFC-CYBMUJFWSA-N 322.478 2.727 0 40 DFAB Cc1cc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)no1 306132067 KXCXSVPRWOOYQH-UHFFFAOYSA-N 314.370 2.564 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1(C)C 72319293 AVCDXVMPHAFRCA-GJZGRUSLSA-N 311.389 2.839 0 40 DFAB Cc1cc(NC(=O)CCNC(C)(C)c2nc(C)c(C)s2)no1 72865795 LGQVQVLLFVZKRX-UHFFFAOYSA-N 322.434 2.910 0 40 DFAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1COCCO1 76921553 FUODBJKKASXHGX-PBHICJAKSA-N 303.402 2.792 0 40 DFAB COc1ccc(-c2nn3cnnc3s2)cc1Br 73639241 JFTJMRONSBELOL-UHFFFAOYSA-N 311.164 2.624 0 40 DFAB Cc1cnccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 79001659 VTZPNLLKESNWSF-CABCVRRESA-N 315.417 2.757 0 40 DFAB CCc1ccc(OCCS(=O)(=O)Nc2nccs2)cc1 70637849 GHKMBSNRAQDMQL-UHFFFAOYSA-N 312.416 2.526 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72364451 DLZHKGZKRSSBJZ-AWEZNQCLSA-N 321.402 2.521 0 40 DFAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NC2CC2)n1 226004296 IYVIWNCZOVFPBO-QWRGUYRKSA-N 319.478 2.716 0 40 DFAB C[n+]1cc(Br)cc(-c2nc3ccc(N)cc3o2)c1 226777921 UHKLDPABSZWKLY-UHFFFAOYSA-N 305.155 2.664 0 40 DFAB O=C(CCc1ccc(Cl)cc1)Nc1c[nH]nc1[C@H]1CCNC1 1549745641 MTDWYYOALFUINC-LBPRGKRZSA-N 318.808 2.711 0 40 DFAB Cc1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)nc1 224048572 LWYBXBTWPMVVRK-UHFFFAOYSA-N 315.398 2.648 0 40 DFAB CCOc1ccccc1[C@@H](CC(=O)NC(C)(C)C)NC(C)=O 69451414 SGBPXRAJMFTAOC-CQSZACIVSA-N 306.406 2.567 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226391134 MJSCFQBYOZURHK-QHNADIDASA-N 322.408 2.672 0 40 DFAB CCOc1ccc(CNC(=O)N2CCOCC[C@H]2C)cc1C 96491864 PURDHIFKSQFRAX-CQSZACIVSA-N 306.406 2.714 0 40 DFAB CC(C)N(C)C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188310 OEFXTOCZUUXYDP-INIZCTEOSA-N 318.490 2.917 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccco2)cc1 583616068 JCVXUDGYWOYTCZ-SJLPKXTDSA-N 315.369 2.801 0 40 DFAB CC1(C)C(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc21 96181624 TUOJEPNXZWYEEK-UHFFFAOYSA-N 306.793 2.587 0 40 DFAB COc1c(C(=O)O[C@@H](C)c2ccccc2)cnc2c1cnn2C 96501827 CRMFEDLDJNIYHC-NSHDSACASA-N 311.341 2.895 0 40 DFAB COc1ccccc1CN1CCC(OC2CCOCC2)CC1 93141015 YKILTMJGLOIELK-UHFFFAOYSA-N 305.418 2.855 0 40 DFAB O=C(c1ccc(OC2CCCCC2)cc1)N1CCC[C@@H](O)C1 96410022 IGTYXEZAKBWHIY-OAHLLOKOSA-N 303.402 2.995 0 40 DFAB c1cncc(O[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218654 WQMSIRWAGYLTBG-RDJZCZTQSA-N 316.426 2.956 0 40 DFAB CSc1ccc(CN2CCO[C@H](c3noc(C)n3)C2)cc1 95958064 DDQPBSLJSJQLSW-AWEZNQCLSA-N 305.403 2.673 0 40 DFAB Cc1ccc(NC[C@H]2CCN(Cc3nc(C4CC4)no3)C2)nc1 97200828 GEPMROZPPXIUOL-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB Cc1[nH]c2ccc(C(=O)N(C)S(=O)(=O)C(C)C)cc2c1C 96447650 FUJMNSXYYIWZCA-UHFFFAOYSA-N 308.403 2.595 0 40 DFAB Cn1ccnc1C(=O)NCc1cc(Cl)ccc1OC(F)F 96443645 UUBXDPRFWBYOKL-UHFFFAOYSA-N 315.707 2.605 0 40 DFAB COCc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)cc1 96408363 LIQFPOIFFWBJOS-MRXNPFEDSA-N 315.369 2.948 0 40 DFAB O=C(c1cc(F)c(F)cc1F)N1CCc2ccccc2[C@@H]1CO 97097750 KKBSEILVBORCMJ-INIZCTEOSA-N 321.298 2.836 0 40 DFAB COC[C@H]1CCOC12CN(C(=O)CCc1ccc(Cl)cc1)C2 247918851 ZZOLLPOPENBJDF-CQSZACIVSA-N 323.820 2.537 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOc1cccc(F)c1 69770542 LUAYGKYAXRMGCM-QZTJIDSGSA-N 320.408 2.680 0 40 DFAB O=C(CC(F)(F)F)N[C@H]1CC[C@H](Oc2ccccn2)CC1 253472829 PSXUTZZDEIWOQV-XYPYZODXSA-N 302.296 2.840 0 40 DFAB CCCc1noc([C@@H](C)OC(=O)c2cccc(OC)c2O)n1 27590247 OXRNPCFKFUCEBX-SECBINFHSA-N 306.318 2.654 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)Cn2cccn2)CC1 257200166 ACGBYPSHKJNZIP-UHFFFAOYSA-N 324.837 2.573 0 40 DFAB CO[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1C 96105058 QYDYLBCNRPNERH-CYBMUJFWSA-N 311.428 2.723 0 40 DFAB Cc1cc(Br)cn2cc(NC(=O)C(F)(F)F)nc12 575435731 ZJGVPGPYVXKRFJ-UHFFFAOYSA-N 322.084 2.906 0 40 DFAB CO[C@@H]1CCN(Cc2ncc[nH]2)C[C@H]1Cc1cccc(F)c1 585273165 AUZBRLYKLABLCI-GDBMZVCRSA-N 303.381 2.628 0 40 DFAB COCCCNC(=O)NCc1cccc(COC(C)(C)C)c1 71185807 PSSCYJPWKQPMDY-UHFFFAOYSA-N 308.422 2.837 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2[nH]cnc2c1 30650559 SPVRPASYWUIMOG-UHFFFAOYSA-N 305.341 2.711 0 40 DFAB COC(=O)Nc1cccc(OCC(=O)NC2CCC(C)CC2)c1 72283503 YNNKPMVMHQFMHL-UHFFFAOYSA-N 320.389 2.939 0 40 DFAB CCCOc1ccc(C(=O)N2CCOCC2)cc1OCCC 44717897 WXUGQPLHJAJMJR-UHFFFAOYSA-N 307.390 2.737 0 40 DFAB COCCCNC(=O)Nc1ccc(OC)cc1C(F)(F)F 48550256 NCWYULRTAONBKS-UHFFFAOYSA-N 306.284 2.872 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cccc(-n3cccn3)c2)s1 79107627 PCWHTVPQDCIOOY-VOTSOKGWSA-N 310.382 2.859 0 40 DFAB CCOC(=O)c1sc(Br)nc1Br 80444080 VMKNAMUHIOOACE-UHFFFAOYSA-N 314.986 2.845 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NCCc1ccc(C(=O)O)cc1 84590519 OADFNXGULQOVCZ-UHFFFAOYSA-N 322.364 2.768 0 40 DFAB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1cccnc1)C2 105721318 GLUJBHWQNIWPBI-IRXDYDNUSA-N 309.413 2.596 0 40 DFAB CCOC(=O)C(CC)(COCc1ccccc1)C(=O)OCC 1767601 LQIWJOKLWRWYJU-UHFFFAOYSA-N 308.374 2.726 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)c(C)n1C1CCCC1 5090166 KWWDHUXKQCZBAR-NSHDSACASA-N 324.450 2.551 0 40 DFAB C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCCN2[C@@H]1C 5758909 YDJNSPIIQAKURJ-BURFUSLBSA-N 300.446 2.997 0 40 DFAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCO2)on1 12142258 JPEVUSDZFHWNOP-CYBMUJFWSA-N 300.362 2.892 0 40 DFAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2)cc1 508428 PHPGBGFJSHPZTR-UHFFFAOYSA-N 300.383 2.887 0 40 DFAB O[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccccc1F 643913739 FGZJTJBUIZNFJM-HOTGVXAUSA-N 306.406 2.850 0 40 DFAB Cc1nc(C)c(CN2CCC(NC(=O)C(C)(C)C)CC2)s1 1004021337 SMBUCIPVISVXIM-UHFFFAOYSA-N 309.479 2.887 0 40 DFAB O=C(Nc1nnc2n1CCCS2)c1c(F)cccc1Cl 17149685 LOTLABGKGWDNOG-UHFFFAOYSA-N 312.757 2.819 0 40 DFAB COC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccs2)c1 24035548 SGCAFLZIFFTCRT-LLVKDONJSA-N 319.382 2.791 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2Cc2cncs2)cs1 2037845596 DUFGAIDMZIUYRC-GFCCVEGCSA-N 308.432 2.895 0 40 DFAB CC[C@H]1CO[C@@]2(CCN(C(=O)c3ccc(COC)cc3)C2)C1 1565547918 PSKOKDHUYXVAHH-KDOFPFPSSA-N 303.402 2.864 0 40 DFAB Cc1cccc(NC(=O)Nc2nc(C(=O)NC3CC3)cs2)c1 9318853 COYLTZWLGYFPOM-UHFFFAOYSA-N 316.386 2.988 0 40 DFAB COc1ccc(C(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 22604764 VHMSVPAXBGSOGT-UHFFFAOYSA-N 320.348 2.802 0 40 DFAB CCOc1ccccc1NC(=O)N[C@@H](Cn1cncn1)C(C)C 1775966095 SXLIRMTYINSPFD-AWEZNQCLSA-N 317.393 2.523 0 40 DFAB O=C(CCc1ccco1)NCc1nc(-c2cccs2)no1 40678068 ZGHZDOYQJRGHCN-UHFFFAOYSA-N 303.343 2.640 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(N(C)C)nc1 32320314 JRFSSJRTZBAMEN-UHFFFAOYSA-N 311.385 2.749 0 40 DFAB COC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 53897757 QIDWCIXUPHRGPB-SFHVURJKSA-N 316.445 2.851 0 40 DFAB Cc1cccc2c(=O)nc(/C(Cl)=C/c3ccnn3C)[nH]c12 23107934 MPSZYTCYPRVZAZ-WQLSENKSSA-N 300.749 2.702 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1ccnc(NC2CC2)c1 58429826 WLVUBAPJHMOOSB-UHFFFAOYSA-N 300.387 2.853 0 40 DFAB CN1CCN(c2ccccc2CNC(=N)Nc2ccccc2)CC1 58411502 OWMNGRTTZUBBTC-UHFFFAOYSA-N 323.444 2.575 0 40 DFAB OCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 90740534 TWCMWDBARFJWIY-UHFFFAOYSA-N 303.233 2.888 0 40 DFAB in-vitro CC(C)COCCC(=O)NCc1cccc(OC(F)F)c1 50366347 HSXXTWYJQUORPP-UHFFFAOYSA-N 301.333 2.967 0 40 DFAB COC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 363195 JNXTWRHPHKHHQK-UHFFFAOYSA-N 322.246 2.597 0 40 DFAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccccc1Cl 808144 QPUXBXCQOUTLDI-UHFFFAOYSA-N 321.789 2.725 0 40 DFAB C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCO2 90803242 JQMDPBUDSOXHTB-HIFRSBDPSA-N 311.385 2.740 0 40 DFAB O=C1O/C(=C\N2CCN(c3ccccc3)CC2)c2ccccc21 20386997 AUZZAWWMAVSJOU-JXAWBTAJSA-N 306.365 2.978 0 40 DFAB O=C(CSCC(=O)Nc1ccccc1)Nc1ccccc1 3154936 KJJGDIIOBIYPGR-UHFFFAOYSA-N 300.383 2.997 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451354 KELMSVORRQFRKS-HZMBPMFUSA-N 324.808 2.774 0 40 DFAB Cc1nnc2n1N=C(c1ccc(Br)cc1)CS2 3893068 OVYFAGOHECFVOK-UHFFFAOYSA-N 309.192 2.707 0 40 DFAB CC(C)CC(=O)Nc1nn2c(-c3cccs3)nnc2s1 6818198 KQSGLBKEENTQTF-UHFFFAOYSA-N 307.404 2.899 0 40 DFAB CCCCNC(=S)N(C)CCc1ccc(OC)c(OC)c1 7528649 ONKMKMXSTZCUFZ-UHFFFAOYSA-N 310.463 2.853 0 40 DFAB CN1CCC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 52148194 XXFSPGCUVVYCOR-AWEZNQCLSA-N 311.385 2.698 0 40 DFAB Cc1nnc(COC(=O)C2=Cc3cc(Cl)ccc3OC2)o1 32829584 BODXGKUDFDJGDG-UHFFFAOYSA-N 306.705 2.551 0 40 DFAB COc1cccc(N(C)S(=O)(=O)c2cccc(Cl)c2)n1 32876255 MNSQIQDNDMYDNR-UHFFFAOYSA-N 312.778 2.569 0 40 DFAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 2503582 BYVZAPYHUNWCMI-UHFFFAOYSA-N 323.439 2.766 0 40 DFAB Clc1ccccc1[C@@H]1C[C@@H](c2cccnc2)Nc2nnnn21 21653264 SWJCVZZCNYJBBG-KBPBESRZSA-N 312.764 2.868 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)c1cc(Cl)nc(N(C)C)c1 75137967 BDXKHOJJGWGUHG-LLVKDONJSA-N 318.808 2.820 0 40 DFAB O[C@@H](CN(Cc1ccco1)C1CC1)c1ccc2c(c1)OCCO2 52827383 VYPPOJKKBLUFGC-INIZCTEOSA-N 315.369 2.749 0 40 DFAB CC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 530123 ILGJLQTURQQBPG-UHFFFAOYSA-N 308.428 2.555 0 40 DFAB O=C(O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 41678269 SELWXVQTLWAOJS-LURJTMIESA-N 318.114 2.788 0 40 DFAB biogenic,in-vitro NC(=O)c1cccc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 53232960 HMZGVIIDQBJCME-LJQANCHMSA-N 324.424 2.967 0 40 DFAB c1cnnc(N2CCC[C@@H]2CNc2ncnc3ccccc23)c1 75128537 ACQMIVYYJXHXSB-CYBMUJFWSA-N 306.373 2.501 0 40 DFAB O=C(CCCn1c(=O)oc2ccccc21)NCc1cccs1 22916157 OYTYSQPIUQORFV-UHFFFAOYSA-N 316.382 2.753 0 40 DFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)O)c1)C2=O 100576454 RJZCEWWZBKTLLG-SJKOYZFVSA-N 301.342 2.701 0 40 DFAB Cc1csc(N2CCN(CCOCC(F)(F)F)C[C@H]2C)n1 106775794 VKPWTTOHEINZGZ-LLVKDONJSA-N 323.384 2.541 0 40 DFAB CC1CCC(N(C)C(=O)c2ccc(Cn3cncn3)cc2)CC1 25628579 YDJRXHZDRYVYPS-UHFFFAOYSA-N 312.417 2.977 0 40 DFAB O=C(CCOCc1ccccc1)Nc1ccc2oc(=O)[nH]c2c1 58267573 PXQMYPSGOJRUFB-UHFFFAOYSA-N 312.325 2.667 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(C)C)cc1 58246076 AOCBXBABDKMYHG-YCABEKBOSA-N 300.402 2.706 0 40 DFAB Cc1n[nH]cc1CNC(=O)c1csc(-c2ccsc2)n1 37990193 XWPGZXUWEBJTSE-UHFFFAOYSA-N 304.400 2.833 0 40 DFAB CC(C)(C)c1ccc(NC(=O)COC(=O)[C@H]2CCCO2)cc1 3413884 HHIJRQWREOMQII-CQSZACIVSA-N 305.374 2.645 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)c1 70011198 JPVACVXJXOKMTP-GOSISDBHSA-N 309.413 2.985 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc3ccccn23)[C@@H]1C 5212977 JLOHXJVFQIFKPW-UPJWGTAASA-N 318.446 2.762 0 40 DFAB COc1cc2[nH]c3c(=O)n(-c4ccccc4)ncc3c2cc1OC 5272137 BRDCRRZLMUCYMS-UHFFFAOYSA-N 321.336 2.884 0 40 DFAB Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(S)nnc23)c1 6477188 BPSLNBDCIOXOCF-UHFFFAOYSA-N 322.393 2.939 0 40 DFAB Cc1ccc(S(=O)(=O)C2=CS(=O)(=O)c3ccccc32)cc1 6479841 HFUCVFKLJLIAHM-UHFFFAOYSA-N 320.391 2.555 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 14231968 XFYRTLNOMXZAIJ-OAHLLOKOSA-N 318.417 2.950 0 40 DFAB CN(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1 6509784 NUVLLULPYTVFJR-UHFFFAOYSA-N 300.377 2.616 0 40 DFAB NC(=O)c1ccccc1O[C@H](C(=O)N1CCCC1)c1ccccc1 6580751 NUXBWESAKRUVBA-KRWDZBQOSA-N 324.380 2.528 0 40 DFAB CC1CCC(NC(=O)CCn2cnc3sccc3c2=O)CC1 14348022 YEQZKUFZHTUPHW-UHFFFAOYSA-N 319.430 2.543 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(N)=O 4742608 CFUCVCOWTQWZLD-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCc2ccccc21 5672550 MCBNYIWDMCYEJO-UHFFFAOYSA-N 319.364 2.759 0 40 DFAB CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 6757618 FECRGQMUXALBTK-UHFFFAOYSA-N 311.320 2.751 0 40 DFAB COC(=O)[C@H](O)C1CCN(Cc2cc3ccccc3s2)CC1 92014582 XGPFPDGCUPEIJC-MRXNPFEDSA-N 319.426 2.647 0 40 DFAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CCCO3)c2cc1Cl 7033919 CFRBABIVCVKXHE-CYBMUJFWSA-N 322.744 2.977 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CCOc2ccccc2)C1 15379365 WSKASDNGLBUWPC-GASCZTMLSA-N 319.401 2.503 0 40 DFAB COc1ccc(OCCNC(=O)c2cn(C)c3ccccc23)cc1 7257764 JEZDWIQMJLYGET-UHFFFAOYSA-N 324.380 2.996 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccco1 7244292 LWJJFLLEVKGICS-CYBMUJFWSA-N 300.358 2.585 0 40 DFAB CC(C)Cc1cc(CNC(=O)c2cccc3c2OCC3)no1 67817562 AVYLYDUCBZVGEP-UHFFFAOYSA-N 300.358 2.738 0 40 DFAB Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1-c1ncn[nH]1 7643662 AIAFBFKFEUHEJA-UHFFFAOYSA-N 314.418 2.936 0 40 DFAB CO[C@H](C)C(=O)Nc1cc(-c2ccccc2Br)n[nH]1 71829943 XVZOQYPMAYHRLI-MRVPVSSYSA-N 324.178 2.813 0 40 DFAB c1cc(OC[C@H]2CCCO2)cc(-c2nc([C@@H]3CCOC3)no2)c1 89780697 PSPAGILROVBDBF-UKRRQHHQSA-N 316.357 2.798 0 40 DFAB Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1F 9721271 MMZLLXUGZRNKCX-UHFFFAOYSA-N 311.316 2.552 0 40 DFAB C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCCC2=O)cc1 89904799 QFOLWMRURLBCKM-CZUORRHYSA-N 314.385 2.791 0 40 DFAB Cc1nn(C)c(Cl)c1CNCCCN1CCc2ccccc21 84012399 MFFKFPKXTMSMSV-UHFFFAOYSA-N 318.852 2.924 0 40 DFAB Cc1nnc(COc2ccc(NC(=O)c3ccncc3)cc2)o1 72283731 AITGUCRGEHZFKN-UHFFFAOYSA-N 310.313 2.604 0 40 DFAB NCCCC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 97019175 LNBWIICSCPCRHZ-LLVKDONJSA-N 317.216 2.712 0 40 DFAB CCc1nc(CS(=O)(=O)Cc2cccc3ccccc23)n[nH]1 97097937 BMEBNSYJEGBTBE-UHFFFAOYSA-N 315.398 2.635 0 40 DFAB CC(C)C[C@@H]1CCCN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97110771 GWHAGZDPPCNQKD-JKSUJKDBSA-N 318.417 2.900 0 40 DFAB O=C(Nc1cnc(-c2ccccc2)nc1)NC1(CO)CCCC1 84564874 GKQYZPZOSVFKRS-UHFFFAOYSA-N 312.373 2.570 0 40 DFAB C[C@@H](NCCC(=O)NC1CCCC1)c1ccc([S@@](C)=O)cc1 95420745 XTAGPGSBSSNZCG-DMZKTXOQSA-N 322.474 2.524 0 40 DFAB C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(F)cc2[nH]cnc12 95427632 RUOYOICPMLMOMB-SNVBAGLBSA-N 313.332 2.769 0 40 DFAB Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC(n2ccnn2)CC1 95979309 BGCIGBRMSFJGIZ-UONOGXRCSA-N 316.430 2.615 0 40 DFAB O=C(c1ccc2nc3n(c2c1)CCC3)N1CCCSCC1 95954846 PUAOSSQRYSAHDQ-UHFFFAOYSA-N 301.415 2.562 0 40 DFAB O=[S@@](Cc1nccn1Cc1ccccc1)c1ccc(O)cc1 78953776 OZSWKMMOAICNTI-JOCHJYFZSA-N 312.394 2.945 0 40 DFAB CCN(C1CCN([C@@H](C)c2cccc(C)c2)CC1)S(C)(=O)=O 78949996 ZUTFNIVTANOOES-HNNXBMFYSA-N 324.490 2.802 0 40 DFAB Cc1cc(=O)oc2ccn(C[C@@H]3OCCc4ccccc43)c(=O)c12 1547138271 DWQGCTHUVWKSAM-INIZCTEOSA-N 323.348 2.577 0 40 DFAB biogenic O=C(Nc1ccc2[nH]nnc2c1)c1cccnc1N1CCCCC1 175831184 IKVBSMWUIMOTBY-UHFFFAOYSA-N 322.372 2.596 0 40 DFAB COc1ccc(NC(=S)NC2CC2)cc1N1CCCCC1=O 36846336 MPVUOIFDDFAQFM-UHFFFAOYSA-N 319.430 2.661 0 40 DFAB CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 1542906 WDKXLLJDNUBYCY-UHFFFAOYSA-N 307.390 2.571 0 40 DFAB biogenic,world COc1cccc(NC(=O)NC[C@@H]2COc3ccccc3O2)c1 30984821 GNCRNCNCYOKZFF-CQSZACIVSA-N 314.341 2.657 0 40 DFAB CN(CC1CC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72251307 RLZAYMJRKVAPAG-RDJZCZTQSA-N 318.392 2.604 0 40 DFAB CN(C)C(=O)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl 36393069 XEMJQBJOVIVZHZ-GQCTYLIASA-N 315.200 2.601 0 40 DFAB O=C(O)CS[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392121 QQESUZVLIDDNJK-CYBMUJFWSA-N 309.387 2.605 0 40 DFAB CC(=O)NCCCCCC(=O)Nc1ccc(C)cc1CN(C)C 79305602 HSAUSXMTPPXJFL-UHFFFAOYSA-N 319.449 2.692 0 40 DFAB COc1cc(/C=C2\CC(=O)N(Cc3ccccc3)C2=O)ccc1O 70666316 OZMZWURROSXPNR-OQLLNIDSSA-N 323.348 2.743 0 40 DFAB biogenic Nc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)cs1 72368685 XIEWQEIRFYBRSQ-UHFFFAOYSA-N 301.415 2.674 0 40 DFAB COc1ccc(N2C[C@@H](c3nc(C)no3)CC2=O)cc1Cl 38671093 BTQKYKJWMORFOP-VIFPVBQESA-N 307.737 2.561 0 40 DFAB Oc1nc(-c2ccccn2)nc2c1CCN(Cc1cccs1)C2 72336784 HJTKKVNHNFIRBI-UHFFFAOYSA-N 324.409 2.864 0 40 DFAB CSc1ncccc1C(=O)NC[C@](C)(O)c1cccs1 77181680 SVTQPJWACKAHNM-AWEZNQCLSA-N 308.428 2.503 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2ccccc2F)c1 72333833 FMHOZGNOKZNSAY-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB COc1ccccc1[C@@H](O)CNC(=O)C(C)(C)c1ccccc1 133188982 FIULCTKGBJIBJB-INIZCTEOSA-N 313.397 2.823 0 40 DFAB O=C(CCc1cccc(C(F)(F)F)c1)N[C@H]1CCCNC1 569984532 XXFBHTSROVIFEQ-ZDUSSCGKSA-N 300.324 2.506 0 40 DFAB CC[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C 42646245 SRJZSKHOURVOSY-VIFPVBQESA-N 313.195 2.611 0 40 DFAB CCOC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)C)cc1 223000551 VOXGPTSCNSMNQQ-UHFFFAOYSA-N 314.407 2.579 0 40 DFAB Cc1nnc(N2CCC[C@H]2c2ccc(Br)cn2)o1 574903982 XTXNTWXIODJQBY-NSHDSACASA-N 309.167 2.877 0 40 DFAB COCCN(C)CCCC1CCN(C[Si](C)(C)C)CC1 195547728 PBNSSDWVYKGACD-UHFFFAOYSA-N 300.563 2.934 0 40 DFAB CCC(=O)N1CC[C@H](NC(=O)Nc2cc(CC)ccc2CC)C1 96475029 UKRAMIWSICOPFO-HNNXBMFYSA-N 317.433 2.944 0 40 DFAB CN(CCO)C(=O)Nc1ccccc1COc1ccccc1 96420129 ZTFWSDSRMJSKLH-UHFFFAOYSA-N 300.358 2.722 0 40 DFAB O=C(O)c1csc(CNC(=O)c2csc3ccccc23)n1 90932773 NFFAKFDPZAHZOH-UHFFFAOYSA-N 318.379 2.986 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)Cn2cncn2)ccc1OC(C)C 96435279 FOIXGIYHBRRPHR-ZDUSSCGKSA-N 317.393 2.584 0 40 DFAB C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1nnc(-c2ccco2)o1 97103330 YLACRSOQDVZVJL-VXGBXAGGSA-N 318.377 2.779 0 40 DFAB CC(C)CN1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]21 248242121 OXPPVJLNVOEJFX-GOEBONIOSA-N 306.837 2.681 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCC[C@H]1c1ccncn1 257338050 YVOSLYUXVQZABL-SFHVURJKSA-N 322.412 2.593 0 40 DFAB c1ccc(CCN2CC3(CO[C@@H](Cc4cccnc4)C3)C2)cc1 257323504 WKMCGMVDNNZGNC-IBGZPJMESA-N 308.425 2.958 0 40 DFAB O=C(c1ccnnc1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257305295 SPIABAXBVBHKIT-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCCc2occc21)C1=CCN(C)CC1 272864952 VSAUPIDHWUSCSD-SWLSCSKDSA-N 303.406 2.607 0 40 DFAB Fc1cccc2c1CC[C@H]2Nc1cc(N2CCOCC2)ncn1 277502609 RIAZQOQMUZCDEQ-OAHLLOKOSA-N 314.364 2.552 0 40 DFAB CC[C@@H](C)N1C[C@@]2(CCCN(CCc3ccccc3)C2)C1=O 585099571 QQJZTMQRJLMRKF-APWZRJJASA-N 300.446 2.952 0 40 DFAB CC(C)C[C@@H](C)N(C)C(=O)CCc1nc(-c2cccnc2)no1 46436748 BIYWMKYPAAZIIE-CYBMUJFWSA-N 316.405 2.957 0 40 DFAB c1ccc(Cn2ccnc2CSc2nnnn2C2CC2)cc1 65587556 HHFGEKXGGLJJRY-UHFFFAOYSA-N 312.402 2.545 0 40 DFAB Brc1cnc(CSc2nnnn2C2CC2)s1 390835338 LHBXTBOJZOEHGX-UHFFFAOYSA-N 318.225 2.519 0 40 DFAB Cc1nnc([C@H]2CCCN(c3ncnc4ccc(F)cc34)C2)o1 678401809 PWYDRUBBDQAQAN-NSHDSACASA-N 313.336 2.844 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1Cl 16780352 CEOFWODBNOPGKU-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB Cn1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 12507862 HOXKSVKRFHLKKF-UHFFFAOYSA-N 306.174 2.528 0 40 DFAB COc1cccc(CC(=O)OCC(=O)NC2CCCCCC2)c1 5985889 QVCKLWQACUDXDX-UHFFFAOYSA-N 319.401 2.620 0 40 DFAB O=C(NC1CCCC1)c1cc(=O)c(OCc2ccccc2)co1 11856509 KJVCDGYRLAODMV-UHFFFAOYSA-N 313.353 2.891 0 40 DFAB CCC(=O)N1CCc2cc([C@H](O)CN3CCCC[C@@H]3C)ccc21 12181091 FOLIBANCCVPVAU-KBXCAEBGSA-N 316.445 2.894 0 40 DFAB O=C(NCc1ccco1)/C(=C\c1ccccc1)n1ccccc1=O 12629078 VHJNJMQULBMGGL-GHRIWEEISA-N 320.348 2.756 0 40 DFAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1C(=O)c1sc(C)nc1C 12749694 ZGYBDKNUOXJFJC-RISCZKNCSA-N 314.414 2.760 0 40 DFAB CC[C@H](OC(=O)c1ccccc1F)C(=O)Nc1cc(C)on1 12822776 RLWVMHACQYLTST-LBPRGKRZSA-N 306.293 2.696 0 40 DFAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NCC4CC4)[C@@H]32)Oc2ccccc21 19374565 MYXDZAAGOQLBJG-QUIPCFFLSA-N 311.381 2.573 0 40 DFAB Fc1ccc(N2CCN(c3ncnc(C4CC4)c3F)CC2)cc1 1888853281 NVWVHMWQWAALQJ-UHFFFAOYSA-N 316.355 2.959 0 40 DFAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cccn3C)ccn2n1 1848441953 BIRHAXQWDARWDA-HNNXBMFYSA-N 323.400 2.744 0 40 DFAB Cc1ccccc1CNC(=O)CCc1nc(C(C)(C)C)no1 31214929 KUNSEOXAUCSASV-UHFFFAOYSA-N 301.390 2.925 0 40 DFAB O=C(NCCc1ccc(Br)s1)c1cccnc1 25877226 MZEAPBIWCCATNT-UHFFFAOYSA-N 311.204 2.878 0 40 DFAB CC(C)CC[C@@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O 25224322 NLZIDFPDDVWQHL-RHSMWYFYSA-N 322.380 2.606 0 40 DFAB CCOC(=O)c1s/c(=N\C(=O)c2cccc(C)c2)n(C)c1C 100837595 UNTJQEIRBAFDDV-MSUUIHNZSA-N 318.398 2.621 0 40 DFAB Cc1ccc(CSCC(=O)NCC(C)(C)CN(C)C)cc1 40159685 BIAZOZKBLIDXHL-UHFFFAOYSA-N 308.491 2.932 0 40 DFAB C[C@@]1(C(=O)NCCc2ccc3c(c2)OCO3)CC1(Cl)Cl 24380556 VTWYKBKRGRCYMG-ZDUSSCGKSA-N 316.184 2.658 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(C)C 182660 FRXDGBLUXLVTJK-OAHLLOKOSA-N 318.373 2.665 0 40 DFAB Cc1noc(C)c1CN1C(=O)NC2(CCCCCCC2)C1=O 3246568 SZFZMASAKIVHAG-UHFFFAOYSA-N 305.378 2.826 0 40 DFAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c1 549755 FPONUEIUZYOAHK-AWEZNQCLSA-N 318.373 2.665 0 40 DFAB Cn1ccc(NC(=O)CCOc2ccc(Br)cc2)n1 25076779 LDKDRFCPRZPXIL-UHFFFAOYSA-N 324.178 2.590 0 40 DFAB O=C(OC1CCCCC1)[C@@H]1CCCCN1C(=O)c1cccnc1 78876894 ZGVQSRGLQKHIQQ-INIZCTEOSA-N 316.401 2.952 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(N3CCNC3=O)cc2)s1 57195044 XZJZJFJBBYUZHW-UHFFFAOYSA-N 315.398 2.767 0 40 DFAB O=C(C[C@@H]1C=CCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107775552 DYXAHYPDQBTNSB-GRZALLJUSA-N 305.418 2.528 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1cscn1 57984574 DWQKALCGEAZAHP-NSHDSACASA-N 305.403 2.611 0 40 DFAB O=C(NCc1cc2c(s1)CCC2)c1ccnc(-n2ccnc2)c1 58329235 VKERPGSWBTYIIV-UHFFFAOYSA-N 324.409 2.748 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)NO[C@@H]1CCCCO1 58416205 XKKKROCNDNLYMS-OAHLLOKOSA-N 304.321 2.870 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)s1 28037701 VRURQANEIOWTDS-UHFFFAOYSA-N 321.427 2.754 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)NCCCn1ccnc1 45162269 OYYMEPULNNLEMM-UHFFFAOYSA-N 311.307 2.651 0 40 DFAB COc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccccc1 9995540 BMRQZVAYICBPQS-UHFFFAOYSA-N 304.733 2.926 0 40 DFAB O=S(=O)(N[C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1 10752322 ZHYWUWVNLBKYQE-OAHLLOKOSA-N 309.337 2.931 0 40 DFAB C(=C/c1ccccc1)\CSc1nnnn1C[C@@H]1CCCO1 57562950 HCFAIFUIBDNUBT-GPAKFWEMSA-N 302.403 2.658 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)NCCc1ccccc1 47195039 SWTNQMMFVPAUMG-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2[nH]cnc2c1 12531601 SIGJMYRNULYXPH-UHFFFAOYSA-N 320.352 2.942 0 40 DFAB O=C(Nc1nc2ccccc2s1)N1CCC2(CC1)OCCO2 48261932 KIFQKEZCSCJGIT-UHFFFAOYSA-N 319.386 2.667 0 40 DFAB Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)no1 48287740 MKYUKCIEBGNOSB-UHFFFAOYSA-N 314.389 2.544 0 40 DFAB Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)c(-c2cccnc2)n1 48302430 QHISGYFJBDLBTC-QGZVFWFLSA-N 318.380 2.899 0 40 DFAB Cc1ccccc1Cn1cc(NC(=O)c2cc(C)n(C)n2)cn1 28229917 JZPYYKNGIDCGDP-UHFFFAOYSA-N 309.373 2.534 0 40 DFAB CCCCCC[C@H](C)NC(=O)c1nc2nc(C)cc(C)n2n1 12975219 RUUAKZKBUBEPDC-NSHDSACASA-N 303.410 2.830 0 40 DFAB O=C(CCCNC(=O)c1cccs1)NCC1CCCCC1 12912716 MWVJNDUERCOXOG-UHFFFAOYSA-N 308.447 2.955 0 40 DFAB Cc1n[nH]c2ncc(C(=O)N(Cc3ccccn3)C(C)C)cc12 65159467 WRSRPQNNYLZBRI-UHFFFAOYSA-N 309.373 2.712 0 40 DFAB Cc1ccc(-n2c(=O)c3c(c4c(N)ncnc42)CCCC3)cc1 9423548 CPLLYMBXGFKPGX-UHFFFAOYSA-N 306.369 2.550 0 40 DFAB O=C(c1ccccc1)N1CCN(CCCOc2ccccc2)CC1 39978747 FDQSFKIYLJKMKD-UHFFFAOYSA-N 324.424 2.914 0 40 DFAB CC(C)c1nc(CC(=O)NC[C@H]2Cc3ccccc3O2)cs1 65390713 GWLWLBXCFJBVRK-CQSZACIVSA-N 316.426 2.929 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 5333415 LGXSSAMPGVJQCQ-LBPRGKRZSA-N 319.361 2.827 0 40 DFAB CC(C)(C)c1nnc2sc(Nc3ccccc3)nn2c1=O 4614651 KLHKRKKKJPKSNU-UHFFFAOYSA-N 301.375 2.587 0 40 DFAB COc1ccc(N(Cc2ccco2)C(=O)N(C)C)cc1OC 6669751 HEXSNXWFFQWXAH-UHFFFAOYSA-N 304.346 2.985 0 40 DFAB CC(C)CNC(=O)NC(=O)COc1c(Cl)cccc1Cl 6918457 PZSMLCYOXOEOSX-UHFFFAOYSA-N 319.188 2.854 0 40 DFAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)c1cccc2c1OCCO2 67055293 GHJBNOXVVVRMHQ-NWDGAFQWSA-N 313.357 2.654 0 40 DFAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 71854093 BOHWYFZJZZRJBY-NXEZZACHSA-N 318.295 2.623 0 40 DFAB COC(=O)CCSCC(=O)Nc1nc2ccccc2s1 7062481 AONHMGXYENQOSY-UHFFFAOYSA-N 310.400 2.531 0 40 DFAB CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1 71902466 UWGORMMTEDMKTP-QGZVFWFLSA-N 318.442 2.836 0 40 DFAB Cc1cc(CSc2nnnn2-c2ccc(C)c(C)c2)no1 8131512 TUXIYRVAOPZQGL-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccnc1)CC3 8488011 CVAJBMAJGCYEFZ-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB biogenic Nc1nc(COC(=O)CCc2cccs2)nc2ccccc12 18336130 CIKLPNQNJAHYIR-UHFFFAOYSA-N 313.382 2.950 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 72235333 FUQSIGBYFJHXCR-OAHLLOKOSA-N 316.380 2.820 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@@H]2CCC[C@H]21 72286949 AKJULSFVGAHACX-ZIAGYGMSSA-N 318.373 2.633 0 40 DFAB Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(C(C)(C)C)cc1 9062012 PKWMPHBRDDWNGA-UHFFFAOYSA-N 323.374 2.634 0 40 DFAB O=C(Nc1nccs1)c1ccccc1OC[C@@H]1CCCO1 9049610 JTRSPUFBCVCXFB-NSHDSACASA-N 304.371 2.953 0 40 DFAB CCOc1cccc(CN(c2ccccc2F)S(C)(=O)=O)n1 97085711 FKYGEUMENLJVFC-UHFFFAOYSA-N 324.377 2.586 0 40 DFAB CC(C)c1cc(C(=O)O[C@H](c2cnn(C)c2)C(F)(F)F)no1 97031928 QLNXPXQQPKEPSM-LLVKDONJSA-N 317.267 2.992 0 40 DFAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)CC(=O)O 97045149 KSWKYTYNRKUTIH-LPEHRKFASA-N 313.756 2.810 0 40 DFAB O=C(CN[C@H](CO)c1ccc(Cl)c(F)c1)Nc1ccccc1 96006519 CPFUVNHHPAWOKF-OAHLLOKOSA-N 322.767 2.741 0 40 DFAB COc1cccc(CC2CCN(C(=O)C3CCOCC3)CC2)c1 97107004 SQQGAQCNQXCNHB-UHFFFAOYSA-N 317.429 2.903 0 40 DFAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)CC(C)C 84456647 MTMBVNQOVMYZQX-CQSZACIVSA-N 317.307 2.823 0 40 DFAB Cc1cc[nH]c(=O)c1C(=O)N(C)Cc1nc2ccccc2s1 95996830 VYUDLOBNDGRMGN-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(C)CC1 113950697 HNDUOULNUBMRAU-CQSZACIVSA-N 310.825 2.708 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccccc3c2C1 9901971 TUTFQBKSXAQQPN-UHFFFAOYSA-N 309.369 2.900 0 40 DFAB CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75123007 IXBGTYXXRHVNAA-UHFFFAOYSA-N 319.364 2.709 0 40 DFAB Cc1cnc(CCNS(=O)(=O)C[C@@H](C)c2ccccc2)s1 89702415 USLBROCKPTWQQE-GFCCVEGCSA-N 324.471 2.717 0 40 DFAB C[C@@H](CCO)NC(=O)NCCCO[C@H]1CCCc2ccccc21 89895591 NXHYJCRKKTYMQI-YOEHRIQHSA-N 320.433 2.541 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(=O)n(C)c1 89930104 GQTLBYYUEBWLBR-PIGZYNQJSA-N 314.360 2.578 0 40 DFAB CO[C@H](CNC(=O)c1ccnc(C)n1)c1cccc(Cl)c1 76067348 IDTMMULHWVLMPK-CQSZACIVSA-N 305.765 2.556 0 40 DFAB O=Cc1nn([C@H]2CCCCO2)c2ncc(Br)cc12 77011591 YRXAXHQORNJKKC-LLVKDONJSA-N 310.151 2.705 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 408736516 CELKDBLEZIDTGI-HNNXBMFYSA-N 311.341 2.684 0 40 DFAB CCn1c(C(=O)O)c(I)c2ccccc21 62709389 JDJYADYGMHZISW-UHFFFAOYSA-N 315.110 2.964 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@@H](O)Cc1ccccc1 70639220 RXUHWDZJPPDAQB-HNNXBMFYSA-N 303.789 2.602 0 40 DFAB CCOc1ccc(CCNC(=O)c2cccn2C)cc1OCC 69209625 DKEJEDQWFRAUTH-UHFFFAOYSA-N 316.401 2.795 0 40 DFAB Cc1cc(OCc2ccc(C(=O)NCCCO)o2)ccc1Cl 32647857 JXHHSSIGXIODLU-UHFFFAOYSA-N 323.776 2.933 0 40 DFAB O=C(O)[C@H](c1ccc(F)cc1)N1CCOC[C@H](C2CCC2)C1 520594007 BWRWINVGHHEQSY-ZBFHGGJFSA-N 307.365 2.700 0 40 DFAB O=C(c1ccncc1)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72367638 IIBSYULHCDGCNA-ZDUSSCGKSA-N 306.369 2.663 0 40 DFAB Brc1cncc(Br)c1C1OCCO1 38277738 GYEVGSDSVVWFRL-UHFFFAOYSA-N 308.957 2.652 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)OCc2ccccc2)C1 1565504739 VHSKQTQSMHAHNV-KSSFIOAISA-N 317.385 2.987 0 40 DFAB Cc1[nH]c(=O)ccc1C(=O)CCCCNC(=O)OC(C)(C)C 72218240 DKTSUPRHPVDDOQ-UHFFFAOYSA-N 308.378 2.561 0 40 DFAB CCOc1ccccc1CN(C)S(=O)(=O)c1cccs1 73350034 YCBBPKXXNVUNHD-UHFFFAOYSA-N 311.428 2.968 0 40 DFAB O=C(NC[C@H]1CCCO1)c1nnsc1-c1ccc(Cl)cc1 72242916 WUIYJOZBZZEAGV-LLVKDONJSA-N 323.805 2.767 0 40 DFAB O=C(c1ccncc1)N1CCc2onc(-c3ccccc3)c2C1 72351041 CWELVFZTTPPAGQ-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB CC(C)(C(=O)O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 566680200 AFEDLGBQVCEJEB-QMMMGPOBSA-N 318.156 2.654 0 40 DFAB Cc1cc(N2CCCCC2)nc(NC(=S)NC(C)(C)C)n1 225896003 FVLDZWXEKWYSSR-UHFFFAOYSA-N 307.467 2.860 0 40 DFAB CCOc1nnc(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)s1 80902996 KZTTZDMHEKTAAC-ABAIWWIYSA-N 313.467 2.604 0 40 DFAB COc1ccc(N2N[C@@](C)(c3cccs3)NC2=S)cc1 225343086 AEZKEZQSUPKCPB-AWEZNQCLSA-N 305.428 2.829 0 40 DFAB CCOc1ccc(NC(=O)c2csc(NC(C)=O)n2)cc1 48074251 ZIGMJMSQCVCHBI-UHFFFAOYSA-N 305.359 2.753 0 40 DFAB CC(C)C[C@@H](NC(=O)CCCc1ccccc1)C(=O)N(C)C 41168753 JYWBSDIYXUDDKL-MRXNPFEDSA-N 304.434 2.628 0 40 DFAB C[C@H]1NC(=S)N(c2ccc3nc(C4CC4)sc3c2)C1=O 49488569 IJHXMHTWNAIFLK-SSDOTTSWSA-N 303.412 2.783 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cn1 225883015 PGCDPPBDNGTCML-QGZVFWFLSA-N 324.421 2.887 0 40 DFAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cnn(C)c1 225888052 QPPONAZULNQVPJ-VIFPVBQESA-N 320.190 2.774 0 40 DFAB C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(OCCCN)CC1 222124506 NCYNPQRVDKQQDP-BUHFOSPRSA-N 320.408 2.585 0 40 DFAB O=C(Nc1ccncc1)c1cnc2c(Cl)cc(Cl)nn12 85224065 HYXLHJCLHBHAQI-UHFFFAOYSA-N 308.128 2.683 0 40 DFAB CCn1cc(C(=O)NCc2coc(-c3ccc(C)cc3)n2)cn1 96443917 TYXKBDJGNIRIBB-UHFFFAOYSA-N 310.357 2.796 0 40 DFAB CSC[C@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C 96414017 MVGHUSYEOAKHOB-ZDUSSCGKSA-N 310.463 2.873 0 40 DFAB Cc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)nn1 96070000 YUKHHHZDBSJBSH-ROUUACIJSA-N 324.428 2.797 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2ccsc2)c(C)n1C1CC1 96475404 RECHIAPSGFQFJW-OAHLLOKOSA-N 304.415 2.965 0 40 DFAB COCc1nc(N(C)C)ncc1C(=O)Nc1cc(C)cc(C)c1 96182431 KKMWEMQJJBWYFK-UHFFFAOYSA-N 314.389 2.558 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1c(F)cccc1F 96407457 NPHVZKKGYSVTFZ-KBPBESRZSA-N 320.383 2.811 0 40 DFAB CCOc1ncccc1NC1CCN(C(=O)C(C)(C)C)CC1 97231506 STZJDGNGAQRBHB-UHFFFAOYSA-N 305.422 2.929 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)Nc3nccs3)CC(=O)N2C)cc1 96181350 DKFISPOGYSNHQZ-OCCSQVGLSA-N 315.398 2.610 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(F)c1F 97379467 YRXXFVWPFFGTHI-CQSZACIVSA-N 306.312 2.517 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N1 69925375 TZYDXOXSDQQYSV-ZFWWWQNUSA-N 306.793 2.576 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257253056 JXKOIDCRGWTZMU-GFCCVEGCSA-N 315.421 2.759 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(Cc3ccccc3C(=O)O)C2)n1 257227408 FPCUDLFOQZYBRZ-OAHLLOKOSA-N 311.385 2.781 0 40 DFAB Cc1cn2c(C3CCN(Cc4cnccn4)CC3)cccc2n1 257248985 JGDMLQFIWFHAAT-UHFFFAOYSA-N 307.401 2.812 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 257246878 IWFOTCOXBMCSCK-MRXNPFEDSA-N 314.389 2.686 0 40 DFAB Cc1cnn(CC(=O)N2CCC[C@H]2CCc2ccnc(C)c2)c1 257270724 MVKWMNGWSJQZAM-KRWDZBQOSA-N 312.417 2.519 0 40 DFAB O=C(COc1ccccc1Cl)N1CCCC[C@H]2CNCC[C@H]21 257208601 BMVIURDPUAPEHJ-DZGCQCFKSA-N 322.836 2.709 0 40 DFAB Cc1cc(NC(=O)Nc2cnn(CCF)c2)nn1[C@@H](C)C1CC1 626494575 LVOXIAQLPDIZCD-NSHDSACASA-N 320.372 2.973 0 40 DFAB c1cc(-c2nnc(NCCc3ccc4c(c3)CCO4)s2)no1 283421303 AVEULHBFFXIKMY-UHFFFAOYSA-N 314.370 2.783 0 40 DFAB COCCC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1 585178005 SAWVNIDDSLSIST-UHFFFAOYSA-N 313.353 2.705 0 40 DFAB Cn1ccc(CCNC(=O)N2CCC[C@@H]2c2ccsc2)n1 680630393 KOWRBENHMDJGQB-CQSZACIVSA-N 304.419 2.571 0 40 DFAB O=S(=O)(c1ccccc1F)N(Cc1cccnc1)C1CC1 37977350 ARPNEQRZRPJNGL-UHFFFAOYSA-N 306.362 2.574 0 40 DFAB COCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1 40554475 KJAVUCXTIBKZDK-UHFFFAOYSA-N 303.337 2.901 0 40 DFAB CC(C)Oc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 40542290 LECSEXXZSZICNE-LBPRGKRZSA-N 316.357 2.824 0 40 DFAB CN(C)c1ncccc1C(=O)NCc1ccccc1N1CCCC1 57249983 RYVYUHXTXKJFQH-UHFFFAOYSA-N 324.428 2.678 0 40 DFAB C[S@@](=O)(CCCOCc1ccccc1)=NC(=O)C(F)(F)F 215488861 JOEMXVDLUZBZED-OAQYLSRUSA-N 323.336 2.780 0 40 DFAB COc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O 5640618 ZUQGGIPILNWNRC-UHFFFAOYSA-N 324.380 2.540 0 40 DFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 15332065 HLLXTLUIBDPZBW-CYBMUJFWSA-N 313.353 2.542 0 40 DFAB COC(=O)C1(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 186893713 NDTIFBORJYCSBX-NSHDSACASA-N 316.357 2.746 0 40 DFAB C#CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 8112716 KFRAKDVVDXYASL-PTNGSMBKSA-N 324.380 2.673 0 40 DFAB Cc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 11563083 OBDSHFLWMBOWDE-UHFFFAOYSA-N 317.292 2.883 0 40 DFAB Cc1cc(CC[C@@H]2CCCN2C(=O)Cc2cccnc2)ccn1 1848355392 CSRAHTBZPKFYJJ-SFHVURJKSA-N 309.413 2.951 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2c(C)noc2C(C)C)n1 20918703 AWJFNQLFKIEMCC-UHFFFAOYSA-N 304.394 2.740 0 40 DFAB Cn1ccc2cc(C[C@@H]3COCCN(Cc4ncc[nH]4)C3)ccc21 2037658295 LJXFGSJDXYRDNB-INIZCTEOSA-N 324.428 2.593 0 40 DFAB Cc1ccc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 3911711 ODYZOYXUXVXRIA-UHFFFAOYSA-N 324.355 2.948 0 40 DFAB CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)ns1 4167313 WWNLNUCRJKJXLY-UHFFFAOYSA-N 322.411 2.820 0 40 DFAB CCOC(=O)C(=O)Nc1ccc(Br)c(Cl)c1C 1888913405 OTPMVTYZXJHRJB-UHFFFAOYSA-N 320.570 2.913 0 40 DFAB CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907805 FTGJCGZMPPASEM-INIZCTEOSA-N 300.427 2.984 0 40 DFAB Cc1cc(NC(=O)N2CCOCC2)nn1-c1ccccc1Cl 96495589 YWMLBUMXBFKBAN-UHFFFAOYSA-N 320.780 2.698 0 40 DFAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)Cc1ccccc1 104907628 FDIPTVMIVDDHIU-ZDUSSCGKSA-N 321.779 2.741 0 40 DFAB C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 30395387 JHDBBURNKDYLEJ-LBPRGKRZSA-N 316.401 2.639 0 40 DFAB C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CCO1 30617778 VEXFPCDJGSYQDN-CYBMUJFWSA-N 311.385 2.611 0 40 DFAB O=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCSC1 387053 YKCPOWKUYIYBDM-UHFFFAOYSA-N 305.424 2.633 0 40 DFAB Cc1ccc(Cl)cc1NCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102509874 MMIGDHZRWZNCGF-LWWSYDQCSA-N 316.788 2.825 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)C(C)C 32976315 DFRLLMYMHWBKDP-GFCCVEGCSA-N 309.366 2.535 0 40 DFAB COc1ccc(CNc2nn3cnnc3c3ccccc23)cc1 21798653 PEDIQCQJJMVOQU-UHFFFAOYSA-N 305.341 2.898 0 40 DFAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 22515805 KSMUKDVSXJGAQD-GFCCVEGCSA-N 303.383 2.581 0 40 DFAB COc1ccccc1[C@H](CNC(=O)c1ccoc1)N1CCCC1 22680472 AKUOSZSXMTVCLG-INIZCTEOSA-N 314.385 2.855 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)N1CCCC1 55471418 OLPUDSLFQLLYDF-CQSZACIVSA-N 312.417 2.912 0 40 DFAB CC(C)Cn1cc(NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)cn1 78630308 PCUQWPMAFXADAW-ZFWWWQNUSA-N 308.426 2.722 0 40 DFAB Cc1cnc(C(C)(C)NC(=O)c2cccc3cn[nH]c23)s1 79975157 QVUPSARMRMFWBW-UHFFFAOYSA-N 300.387 2.993 0 40 DFAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H]1CCc2ccccc2C1 35629942 JMGPFPCMFPOHHV-KGLIPLIRSA-N 305.374 2.769 0 40 DFAB CC(C)(C)c1csc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)n1 6726950 FRZPHMYLDRVIAB-QCZKYFFMSA-N 320.414 2.902 0 40 DFAB C[C@@H]1CN(c2ccccc2CNCCc2cccnc2)CCO1 58112859 XLNONHPVJPKKNA-MRXNPFEDSA-N 311.429 2.639 0 40 DFAB CC(C)(C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1 10842429 ZHVQAHKUPRMFAZ-UHFFFAOYSA-N 323.348 2.761 0 40 DFAB CCCN1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1 58263843 RAZNOARCOMDRKM-INIZCTEOSA-N 304.459 2.694 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)/C=C/c2ccsc2)CC1 58278569 PXUGHFWTUYYLFV-ONEGZZNKSA-N 320.458 2.915 0 40 DFAB NC(=S)NNC(=S)Nc1ccc(Oc2ccccc2)cc1 9189512 ALIMSPNZVFYWOG-UHFFFAOYSA-N 318.427 2.514 0 40 DFAB CC(C)(C)C[C@@H]1CCCN1C(=O)c1cnc2ccccn2c1=O 58393906 ROJCTHPRDCHIKB-ZDUSSCGKSA-N 313.401 2.735 0 40 DFAB O=C(NOCc1ccccc1)[C@H](c1ccccc1)n1cccn1 58427167 MBMAUHITSYUIEJ-KRWDZBQOSA-N 307.353 2.721 0 40 DFAB Cc1cn2nc(N3CCO[C@H](c4ccccc4)C3)sc2n1 29588145 QZOHOADNYATZLH-ZDUSSCGKSA-N 300.387 2.677 0 40 DFAB CC(C)OC(=O)c1nnc2sc(-c3ccc(F)cc3)nn12 57338986 KZXKYEPLXZLSTB-UHFFFAOYSA-N 306.322 2.557 0 40 DFAB C[C@H](Sc1nnnn1C)C(=O)c1ccc(C(C)(C)C)cc1 3392024 HSLXOHHOUSKNGG-JTQLQIEISA-N 304.419 2.871 0 40 DFAB Cc1nnc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)s1 12793524 CDAWQLGWISZTPL-UHFFFAOYSA-N 307.762 2.914 0 40 DFAB NC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 48310838 NVGNHGBBOWEAKL-UHFFFAOYSA-N 301.371 2.980 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1Cl 12946623 YNUTVOAAIABNBS-MNOVXSKESA-N 309.749 2.954 0 40 DFAB Cc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 12900467 YJJCSWZGGWIKIO-UHFFFAOYSA-N 309.369 2.677 0 40 DFAB CC(C)c1cc(C(=O)NCCN(C)C2CC2)nn1C(C)(C)C 63116650 OVGUOFZCJASBIN-UHFFFAOYSA-N 306.454 2.586 0 40 DFAB O=C(NCCCNC(=O)c1ccc(F)cc1F)c1cccs1 65620613 PRKZIGWKRUWYOT-UHFFFAOYSA-N 324.352 2.576 0 40 DFAB CNc1cc(C(=O)Nc2ccc3nc(C)cn3c2)cc(Cl)n1 71897997 PEEJZPYOGCLGMB-UHFFFAOYSA-N 315.764 2.985 0 40 DFAB CC(C)(CC(=O)N(CC(N)=O)C1CCCC1)c1ccccc1 71836424 BMZVMXWJMCBATL-UHFFFAOYSA-N 302.418 2.611 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC(Oc2ccccc2Cl)CC1 95436391 LETUHEMSJNGEGW-HNNXBMFYSA-N 309.793 2.889 0 40 DFAB CCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1 67566776 QEASYOMXVDKUIZ-CQSZACIVSA-N 320.389 2.814 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1F 15584334 VKXUIOYNSWJXCP-OAHLLOKOSA-N 318.348 2.892 0 40 DFAB Cc1ccc2c(c1)[C@H](NCC1(CO)CCOCC1)CCCO2 90663062 MLRLCUDPAKRGMS-MRXNPFEDSA-N 305.418 2.587 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(c3ccccc3)CCC2)cn1 68411503 CTSTWWKYEIGJGZ-DLBZAZTESA-N 309.413 2.762 0 40 DFAB COCCNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8208846 XTZUEFUXXIFQOE-UHFFFAOYSA-N 303.387 2.753 0 40 DFAB O=C(CNC(=O)c1ccsc1)Nc1ccc2ncccc2c1 69382566 ITNBLXAQFZQALH-UHFFFAOYSA-N 311.366 2.665 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282918 GJNSTWXCGPDJSC-ZWNOBZJWSA-N 302.378 2.524 0 40 DFAB COC[C@@H](O)CNC(=O)Nc1cccc(-c2sccc2C)c1 72287639 KGSBGEUTORFCGY-AWEZNQCLSA-N 320.414 2.852 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](n2cccn2)C1 69485584 DADFSWWMZHOXLT-GFCCVEGCSA-N 322.796 2.629 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)no1 72274116 GKURDVLEMDGLOV-JSGCOSHPSA-N 302.378 2.537 0 40 DFAB Cc1ccc(Cn2nc(C)c(CNCCn3cccn3)c2C)cc1 72272806 YEXDFWYXKYQPBO-UHFFFAOYSA-N 323.444 2.843 0 40 DFAB O=C(CCN1CCC(CN2CCCC2)CC1)NC1CCCCC1 69571303 NZAMUIFMWOXFQO-UHFFFAOYSA-N 321.509 2.633 0 40 DFAB Cc1cnc(C(=O)N[C@@H](COCC(C)C)c2ccco2)cn1 69568736 MJGAMZFUAVGGOO-AWEZNQCLSA-N 303.362 2.522 0 40 DFAB Cc1nc([C@@H]2CCCN(c3ncnc4sccc34)C2)no1 72279219 AYLBLWJTQGDTRX-SNVBAGLBSA-N 301.375 2.767 0 40 DFAB Cc1ncccc1C(=O)NC[C@](C)(O)c1ccccc1Cl 97143393 FLWOWQXWIUKLEC-INIZCTEOSA-N 304.777 2.681 0 40 DFAB Cn1cc(CCC(=O)NCC2(Cc3ccccc3)CCC2)cn1 84318308 JDUOVHVXGMEHAF-UHFFFAOYSA-N 311.429 2.882 0 40 DFAB Cc1ccc(O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 9117640 IAHMDQUAZZLNRQ-UHFFFAOYSA-N 314.360 2.802 0 40 DFAB C[C@H](CO)NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010650 LPNVTSCVKACWJZ-GFCCVEGCSA-N 310.357 2.528 0 40 DFAB O=C(c1cc2c(s1)CCCCCC2)N1CCOC[C@@H]1CCO 95979846 LWVHKUDEIRFJBL-AWEZNQCLSA-N 323.458 2.631 0 40 DFAB C[C@H]1CN(C(=O)NCCCOC2CCOCC2)c2ccccc21 74542857 GYPNJZOVCKWWQR-AWEZNQCLSA-N 318.417 2.905 0 40 DFAB CCc1n[nH]c([C@@H]2CN([C@@H]3CCCc4ccccc43)CCO2)n1 89289812 LNFOGTPUJVYHDK-CVEARBPZSA-N 312.417 2.818 0 40 DFAB Cc1csc(CNc2ccc(CCN3CCOCC3)cc2)n1 76094347 RFMBNQRIVJARIL-UHFFFAOYSA-N 317.458 2.938 0 40 DFAB COc1cccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 21912829 ABSDKDJDHWVKIC-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB CC1=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)C(F)(F)F)C1 409337414 UNCDKUFESHASMG-VIFPVBQESA-N 318.242 2.889 0 40 DFAB O=C(NCCOc1ccc2c(c1)OCO2)c1c(F)cccc1F 22480560 WIMOZVRMEMTMDU-UHFFFAOYSA-N 321.279 2.502 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1cccc(C)c1 408706826 FLOSQLJALZBARV-OAHLLOKOSA-N 304.434 2.944 0 40 DFAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1ccc(-n2cccc2)cc1 669465230 OVONJOLVZWQVPB-QGZVFWFLSA-N 323.400 2.523 0 40 DFAB Cc1ccc(CN(Cc2cnc(C(=O)O)cn2)C2CC2)cc1C 530162379 NTCSOPOWMLBQOT-UHFFFAOYSA-N 311.385 2.956 0 40 DFAB O=C(CCc1ccccn1)NC[C@@H](O)c1ccc(Cl)s1 75274654 GOJFZMPLFUBUOQ-LLVKDONJSA-N 310.806 2.579 0 40 DFAB Cc1nn(C)c2c(N[C@H](C)c3ccc4c(c3)OCO4)ncnc12 32650061 UIAUILXFDHTSFZ-SECBINFHSA-N 311.345 2.574 0 40 DFAB Cc1occc1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 32610419 UULRQKZKVTUNHZ-UHFFFAOYSA-N 300.293 2.619 0 40 DFAB Cc1cnc(NC(=O)C(=O)N(Cc2ccccc2)C2CC2)s1 123402715 CIMODXTVTLJJCK-UHFFFAOYSA-N 315.398 2.581 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 72241973 ZVCVGJCCWPUUHV-RDJZCZTQSA-N 318.392 2.748 0 40 DFAB CN1NC(=O)c2cc(-c3cccnc3)nn2C12CCCCCC2 73633234 NBCKQRWYTQMFIJ-UHFFFAOYSA-N 311.389 2.542 0 40 DFAB Fc1ccc([C@H]2CN(c3ncnc4[nH]ccc34)CCO2)cc1F 66815241 YEHFWOQOBGZBRS-CQSZACIVSA-N 316.311 2.814 0 40 DFAB O=C1CC[C@@H](c2nc(C3CC3)no2)N1Cc1cccc(F)c1 44433116 XFUZSXPDECSHFS-ZDUSSCGKSA-N 301.321 2.950 0 40 DFAB Cc1cc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)nn1[C@@H](C)C1CC1 529055875 LECOBIRLSVNOOP-XTQGRXLLSA-N 318.421 2.852 0 40 DFAB CCn1ccnc1CNC(=O)N[C@@H]1CCc2ccc(F)cc21 569318887 VLENEARMKTWWRM-CQSZACIVSA-N 302.353 2.529 0 40 DFAB C[C@@]1(C(=O)N2CCCCCC2)Sc2ccccc2NC1=O 40773888 NCVKAVKTOWNEID-MRXNPFEDSA-N 304.415 2.892 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 80379659 MGTLUEQCAVIKBB-UHFFFAOYSA-N 310.275 2.965 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@H]1CCCOC1 195577945 WHHCKCMZLKCSJZ-INIZCTEOSA-N 305.418 2.867 0 40 DFAB Cc1noc(C)c1CN1CCC[C@H]1C(=O)OCc1ccccc1 68854914 LIVBTVPXWGTHLF-KRWDZBQOSA-N 314.385 2.999 0 40 DFAB O=C(NC[C@H](O)c1ccccc1)Nc1ccc(F)c(F)c1F 69351472 FDKYFGZMDCIFIG-LBPRGKRZSA-N 310.275 2.959 0 40 DFAB CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCC(C)CC1 69633266 SFSGVIYPDMOREH-UHFFFAOYSA-N 323.824 2.969 0 40 DFAB CCOC(=O)CN(C(=O)c1scnc1C)c1ccc(C)cc1 225600528 KZIDIXUHEXZLQP-UHFFFAOYSA-N 318.398 2.970 0 40 DFAB Cc1ccc([C@@]2(C)CCN(Cc3ncnn3CCF)C2)cc1 225644795 GEPAIWAQKDKWCO-KRWDZBQOSA-N 302.397 2.720 0 40 DFAB O=C(Nc1cnn(-c2ccccc2)c1)N1CCO[C@H]2CCC[C@H]21 96421998 HVMWHSZUNQORMX-CVEARBPZSA-N 312.373 2.658 0 40 DFAB COc1ccc(CN2C[C@H]3C[C@H](CN(C)C(C)C)O[C@H]3C2)cc1 96056661 BQKXQHBZUPUKRP-QRQLOZEOSA-N 318.461 2.625 0 40 DFAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96222161 TUMJZRGRRCNDCJ-BBRMVZONSA-N 309.431 2.796 0 40 DFAB CC(C)N(CCc1nccs1)C(=O)[C@H](N)c1ccccc1 97234166 AOBZPCOKLRKHTR-OAHLLOKOSA-N 303.431 2.623 0 40 DFAB Cc1nnc(CSc2nnc(CCc3ccccc3)o2)o1 96430413 SZXVECHWDWSWHJ-UHFFFAOYSA-N 302.359 2.839 0 40 DFAB CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CC1=CCCCC1 96425273 BQNJIKTZYUJCPG-UHFFFAOYSA-N 315.417 2.676 0 40 DFAB CCn1nc(C)c2ncnc(NCC[C@@H](O)c3ccccc3)c21 96193123 KOWSDWSUDNGIAR-CQSZACIVSA-N 311.389 2.690 0 40 DFAB C[C@@H]1CCCCN1c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2 95096741 JHBTXVMNQNKCLL-SECBINFHSA-N 313.810 2.774 0 40 DFAB c1ccc(O[C@H]2[C@H]3CC[C@H]2N(Cc2ccc4c(c2)OCO4)C3)nc1 248332475 IYEKJKGWDUDWMQ-KHYOSLBOSA-N 324.380 2.852 0 40 DFAB CC(C)(C)C(=O)N1CC[C@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257274393 NKXUMBTVLCNXJD-CYBMUJFWSA-N 312.417 2.909 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 252504685 COPNRBGCMYZHMV-KNCCTNLNSA-N 310.482 2.804 0 40 DFAB Cc1cc(O[C@@H]2CCCN(C(=O)c3cccs3)C2)nc(C)n1 575604739 DYZVZJBBYXKSIE-CYBMUJFWSA-N 317.414 2.839 0 40 DFAB CCc1ccc(NC(=O)NCCc2cncc(C)n2)cc1OC 585101649 FIOXYBBBOGMXGH-UHFFFAOYSA-N 314.389 2.720 0 40 DFAB CCOc1ccc2cc(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)[nH]c2c1 76050492 ZHIGWASINUVTKM-SJKOYZFVSA-N 315.417 2.589 0 40 DFAB CCNC(=O)CN(CC)C(=O)Cc1c(Cl)cccc1Cl 57024740 XVHFGJTWQRRSQQ-UHFFFAOYSA-N 317.216 2.521 0 40 DFAB COc1ccc(Cl)cc1NCCC(=O)NCc1cc(C)on1 58341456 HBCYPSXHZFUPSK-UHFFFAOYSA-N 323.780 2.763 0 40 DFAB CN1CC[C@@H](NC(=O)Nc2cccc(-c3ccsc3)c2)C1=O 95399549 GLEJRZJDBRHGAG-CQSZACIVSA-N 315.398 2.767 0 40 DFAB CC(C)NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 100794297 UXYHXRBLJCKKNE-JLJPHGGASA-N 312.413 2.653 0 40 DFAB CC[C@H](C)C(=O)N1CCC[C@H]1C(=O)N/C=C/c1ccccc1 1534690747 DHHWAUYTNPLDCG-FCBZUWDESA-N 300.402 2.811 0 40 DFAB CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=O)cc1OCC 12394179 ZJFWTBJDWLNXSK-SECBINFHSA-N 300.738 2.882 0 40 DFAB O=C(c1ccco1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12668999 SYBRZNVOWYOQRW-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB Cc1cc(C)cc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 14274415 BHBRBNPKLVFPEE-QGZVFWFLSA-N 308.381 2.967 0 40 DFAB Cn1cnc2ccc(NC(=O)C3CN(C4CCCCC4)C3)cc21 19747554 MOWOPVYWYGPBQI-UHFFFAOYSA-N 312.417 2.776 0 40 DFAB COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2)cc1 158416392 SBRFMGQBAXHFOU-CZUORRHYSA-N 322.474 2.744 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(OC)c(O)c2)C(=O)O)o1 7342653 NXBJKUMLMCXGMK-XFFZJAGNSA-N 322.342 2.564 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)CC3CCCC3)C2)nn1 225460517 WZLQTOODIFBJGT-HNNXBMFYSA-N 303.406 2.735 0 40 DFAB COC1(CNC(=O)c2ccc3ncsc3c2)CCSCC1 225593179 FIURKLAFAABOMV-UHFFFAOYSA-N 322.455 2.938 0 40 DFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 3239771 IDJLEPWAHMWKGU-DVOMOZLQSA-N 319.401 2.793 0 40 DFAB Fc1cncnc1N1CCN(c2nc3ccccc3s2)CC1 1888901071 WKKMHZKPWBPJGY-UHFFFAOYSA-N 315.377 2.552 0 40 DFAB COc1ccc(CCNc2cc(-n3nc(C)cc3C)ncn2)cc1 1888913784 RDECEJUXIJPRMJ-UHFFFAOYSA-N 323.400 2.942 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 20550788 GFWPIHXMEISUJX-LLVKDONJSA-N 301.264 2.785 0 40 DFAB CC(C)c1noc(CN2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087130918 JDEYBHQPLHVXOE-ZDUSSCGKSA-N 322.453 2.662 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccsc1 11027681 KNBRFDGXASLCHA-OAHLLOKOSA-N 306.406 2.849 0 40 DFAB O=C(Nc1ccccn1)C1CCN(C(=O)c2ccsc2)CC1 32776823 ILWJKNMGIOMYSL-UHFFFAOYSA-N 315.398 2.634 0 40 DFAB CCN(Cc1cccs1)C(=O)c1ccccc1S(C)(=O)=O 32722434 BDNFUKDXHNUYHG-UHFFFAOYSA-N 323.439 2.814 0 40 DFAB CCOc1ccccc1CN1CCC(C(=O)NC(C)C)CC1 819330 YUGZWSHIBCFKQR-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[nH]c1=O 54563193 KURYOWXFJLFXRE-GFCCVEGCSA-N 323.462 2.524 0 40 DFAB O=C(CCn1c(=O)sc2ccccc21)NCc1cccs1 245963 HDJYJXRCWNVONN-UHFFFAOYSA-N 318.423 2.831 0 40 DFAB O=C1CSC2=NC3=C([C@H](c4cccs4)N12)N1CCC3CC1 20218663 KYWLFLCVBOMFNZ-ZDUSSCGKSA-N 317.439 2.671 0 40 DFAB CC(=O)Nc1cccc(C2=C[C@H](c3ccco3)N3NC=NC3=N2)c1 100487242 WGGSVKHCGWOKON-OAHLLOKOSA-N 321.340 2.538 0 40 DFAB COc1ccc(C[C@@H](CC(=O)Nc2ccccc2)C(=O)O)cc1 3902912 KQDXKOCAJGYGAZ-AWEZNQCLSA-N 313.353 2.967 0 40 DFAB O=C1Nc2cc3c4c([nH]c3cc2[C@]1(O)C(F)(F)F)CCCC4 4654019 YPIQHCZMJAOTFB-CQSZACIVSA-N 310.275 2.749 0 40 DFAB CCN1CCN(Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 20533446 IRDMDKGPGJKIGC-UHFFFAOYSA-N 300.402 2.547 0 40 DFAB CCc1nc(N2CCNCC2)c2c3c(sc2n1)C[C@@H](C)CC3 4910566 MLXJNPKWDSFKKF-NSHDSACASA-N 316.474 2.788 0 40 DFAB O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 32094424 CVXFVLPCBGMNDP-NSHDSACASA-N 314.316 2.523 0 40 DFAB CCNC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423110 NYQPMGVVGGIODA-HZPDHXFCSA-N 303.475 2.666 0 40 DFAB CCOc1cc(CNCCOC)cc(Br)c1OC 8253603 ZNGREUCTBKNAQM-UHFFFAOYSA-N 318.211 2.592 0 40 DFAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 382584 HGQXZMXYWYAXKW-LLVKDONJSA-N 318.373 2.557 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)no1 21718840 GRVGYXLVXRTSHP-CYBMUJFWSA-N 300.314 2.689 0 40 DFAB CC1=NN(c2ccc(C(=O)N(C)Cc3cc(C)on3)cc2)CC1 52606802 ISBKAKMTBRZZRQ-UHFFFAOYSA-N 312.373 2.841 0 40 DFAB COc1cccc(NC(=S)NCc2cccnc2N(C)C)c1 36845832 IOXMNFNTVCGJRG-UHFFFAOYSA-N 316.430 2.643 0 40 DFAB COCCN(C(=O)Nc1nnc(C2CC2)s1)C1CCCC1 75103681 UYALWPDSRNRQCY-UHFFFAOYSA-N 310.423 2.838 0 40 DFAB O=C(Cc1cccs1)Nc1cc2c(cc1Cl)NC(=O)CO2 33193731 ZIUZDIKTICZYCV-UHFFFAOYSA-N 322.773 2.914 0 40 DFAB O=C(Cc1cccc(Cl)c1)NCc1cccc(C(=O)O)c1 52944280 XJVQPTCQFGDREM-UHFFFAOYSA-N 303.745 2.897 0 40 DFAB O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCCSCC1 75122995 GIGTUKONXXQIHZ-UHFFFAOYSA-N 314.410 2.621 0 40 DFAB COC(=O)c1ccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1 2646987 QOGPCCHEQXERHZ-UHFFFAOYSA-N 319.313 2.571 0 40 DFAB Cc1nc(COc2ccccc2C(=O)NC2CCCC2)no1 23683280 UNARFDRAWAMMMF-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB CCc1nccn1[C@@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 105896281 GZGNGYGYNQLEMQ-CYBMUJFWSA-N 317.389 2.662 0 40 DFAB C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cncn1 24761540 HOOJYTXMOBAJAB-SSDOTTSWSA-N 316.695 2.733 0 40 DFAB CCOC(=O)c1cnc(SC[C@H]2CC2(Cl)Cl)nc1N 15355472 WQNQNLMKOGUVKU-ZCFIWIBFSA-N 322.217 2.521 0 40 DFAB CCOc1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 20143189 NACNNHVAISEEKJ-UHFFFAOYSA-N 315.398 2.957 0 40 DFAB O=C(COC(=O)c1cc(F)ccc1F)Nc1ccc(F)cc1 57472273 LBOMMQKFFUZHAR-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CCC[C@]1(C)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 47359749 ALZXJHLKUQPEIA-KRWDZBQOSA-N 313.357 2.952 0 40 DFAB Cc1ccc(SCCN2CC(=O)N[C@H]3CCCC[C@H]32)cc1 108485672 NDGRITSVRZFZGP-JKSUJKDBSA-N 304.459 2.830 0 40 DFAB CCCOc1cccc(C(=O)Nc2ccc(-n3cncn3)nc2)c1 44468991 ZMILPMLISLZLAV-UHFFFAOYSA-N 323.356 2.703 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 44869055 KVZMLLPIUXRWFV-HNNXBMFYSA-N 320.776 2.817 0 40 DFAB Cc1ccc(N2C(=O)C(=O)N(c3ccc(C)cc3)C2=S)cc1 2122834 OFMPMQIVNXHUPA-UHFFFAOYSA-N 310.378 2.968 0 40 DFAB O=C(NCCc1cccc(O)c1)c1ccc(Br)o1 58217948 PLKVCLGCEKRHCT-UHFFFAOYSA-N 310.147 2.720 0 40 DFAB Cc1ccc(F)cc1NC(=O)[C@H]1CSCN1C(=O)C1CCC1 69389660 WWNPDLHWJCIZQT-CQSZACIVSA-N 322.405 2.774 0 40 DFAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CCOc1ccccc1 3318436 VPOOJZLPTADAQL-KRWDZBQOSA-N 324.380 2.619 0 40 DFAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](O)C1 67682252 IBZMHZCQLMKJBC-SECBINFHSA-N 306.259 2.833 0 40 DFAB CCOc1ncccc1NC(=O)N(C[C@H]1CCOC1)C1CC1 48206423 KCERPDOULHDNSR-GFCCVEGCSA-N 305.378 2.513 0 40 DFAB O=C(CCNC(=O)c1ccccc1)NCCCc1ccccc1 3408856 ZNAPOAZJEXVDFW-UHFFFAOYSA-N 310.397 2.556 0 40 DFAB Cc1ccc([C@H](CNC(=O)Nc2nnc(C)s2)N(C)C)cc1 62428372 LKIUCDZWCGDVGS-ZDUSSCGKSA-N 319.434 2.579 0 40 DFAB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1nccs1 7603854 RPOCCGXUYFTNQX-UHFFFAOYSA-N 319.415 2.644 0 40 DFAB CC1=CC(C)(C)n2c(=O)c3c(c4c(C)ccc1c42)OC(=O)CC3=O 4090428 DQYUISUZVPRSAN-UHFFFAOYSA-N 323.348 2.954 0 40 DFAB biogenic Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)no1 4385249 OBAADJFAAKEXFP-JTQLQIEISA-N 319.748 2.628 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccncc2)c1C 14058015 XOJHWKVQZKUUCV-NSHDSACASA-N 315.373 2.694 0 40 DFAB O[C@@H](CN1CCC(CNCc2ccco2)CC1)c1ccccc1 69490771 SNKGLOWXHAFVRP-IBGZPJMESA-N 314.429 2.815 0 40 DFAB COc1ccc(Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1OC 16693525 JKJKPOLOGCZLEX-UHFFFAOYSA-N 324.340 2.593 0 40 DFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cscn1 69161900 UKZSSZKVRNHRFY-NSHDSACASA-N 310.444 2.740 0 40 DFAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2nccs2)CC1=O 408644761 SXCUPKUDLZMIQZ-GFCCVEGCSA-N 315.398 2.752 0 40 DFAB O=C(COc1ccc(-n2cccn2)cc1)NCc1cccs1 96414758 JXBDCTHCUZIMIW-UHFFFAOYSA-N 313.382 2.629 0 40 DFAB Cc1cc(C)cc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 8757194 SLCVHKRKZAZYDX-UHFFFAOYSA-N 324.336 2.513 0 40 DFAB CN1C(=O)C[C@@H](NCc2cccnc2)[C@H]1c1ccc(Cl)cc1 92849918 XTJXJAHGVLMISK-NVXWUHKLSA-N 315.804 2.797 0 40 DFAB c1cnnc(N2CCC[C@H]2CNCc2cc3ccccc3o2)c1 71877244 XVEWFVSLXDXBJU-HNNXBMFYSA-N 308.385 2.981 0 40 DFAB O=C(C1CCC(NCc2ccccc2)CC1)N1CCSCC1 71854238 DPSSYFPDOMDECR-UHFFFAOYSA-N 318.486 2.910 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2scnc2C)c1 71865918 JJOLCRLGJYQNPC-CYBMUJFWSA-N 304.419 2.651 0 40 DFAB COC(C)(C)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 96003020 HJMNETFQSARPFA-CQSZACIVSA-N 305.422 2.917 0 40 DFAB COc1ccc([C@@H]2CCCN2CCOC(=O)N(C)C)cc1OC 96012910 SVUIVHZCRBSYIV-AWEZNQCLSA-N 322.405 2.539 0 40 DFAB Cc1cccc(C(=O)OCc2nc(N)c3ccccc3n2)c1O 9379312 ZPSLOGKNRRXJRW-UHFFFAOYSA-N 309.325 2.583 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C)c(C)s2)c(OC)c1 9364822 OBXUSFWTACCKJU-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB O=c1c2ccc(F)cc2ncn1CCOc1ccccc1F 9691133 REXFQONXRUTXEA-UHFFFAOYSA-N 302.280 2.754 0 40 DFAB CCc1ccc([C@H](COC)NS(=O)(=O)c2ccccc2)o1 76062397 ACCZFSBHSOYUDC-AWEZNQCLSA-N 309.387 2.508 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@@H](C)C1CC1 84064789 GGZNLJYOHXERLH-JTQLQIEISA-N 302.403 2.779 0 40 DFAB NC(=O)c1ccccc1COC(=O)c1nccc2ccccc12 72283239 COOCAOMZRBWJFC-UHFFFAOYSA-N 306.321 2.691 0 40 DFAB COc1ccc([C@H](C)N[C@H](C)CCO)c(Br)c1 97034552 AXBSOBFXHGENMR-ZJUUUORDSA-N 302.212 2.879 0 40 DFAB O=C(O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)o1 97036071 IRMKFFXVYPYROC-MNOVXSKESA-N 321.279 2.676 0 40 DFAB CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1 97133922 RXIVJGPZIABDMI-ZCKSSPOOSA-N 312.413 2.606 0 40 DFAB Cc1cc([C@H](C)Nc2ncnc3c2cnn3CCO)c(C)s1 97200079 HPJGEQGMMPHHCX-JTQLQIEISA-N 317.418 2.670 0 40 DFAB CC(C)C[C@@H](NC(=O)Cn1ccnc1)c1nc2ccccc2[nH]1 78965296 BYQHIUGWHCBXDQ-OAHLLOKOSA-N 311.389 2.663 0 40 DFAB C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(-c2ccncc2)cc1 72516952 QAHASOJKDRAVOK-CYBMUJFWSA-N 313.401 2.880 0 40 DFAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@@H](C)c1cnn(C)c1 95424805 XRVDOFSSEDIHKU-NWANDNLSSA-N 322.453 2.716 0 40 DFAB CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1 84718342 RDRMYCITUQMKMM-RBUKOAKNSA-N 322.408 2.634 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(Cc1nc(C)c(C)s1)CC2 84800897 RKJVZBFFERRCCU-KGLIPLIRSA-N 310.463 2.512 0 40 DFAB O=C(NC1CCN(C(=O)c2ccco2)CC1)Oc1ccccc1 73462081 VBFMTFROLCOEPF-UHFFFAOYSA-N 314.341 2.673 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 73572635 OHOSBZNSCRTQHL-NSHDSACASA-N 323.356 2.712 0 40 DFAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](C)CCc1cccn1C 74055891 NWEXEXAFIOWOFD-CHWSQXEVSA-N 316.449 2.681 0 40 DFAB COc1ccnc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 85490225 JJXUIKTVBGGANW-OAHLLOKOSA-N 324.380 2.968 0 40 DFAB CS(=O)(=O)N(Cc1ccccc1)Cc1cc(F)ccc1F 95953182 ANAWNGCOTPQASH-UHFFFAOYSA-N 311.353 2.927 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 35153291 COEYNBVWKHNDQS-JTQLQIEISA-N 313.756 2.894 0 40 DFAB O=C1C[C@@]2(CCNC2)Oc2cc(OCc3ccccc3)ccc21 36141057 VVIVLJDMQBAWKU-LJQANCHMSA-N 309.365 2.963 0 40 DFAB Cc1nn2c(N(C)CCO)c3c(nc2c1-c1ccccc1)CCC3 72341737 JIYUZMBPIWZMHR-UHFFFAOYSA-N 322.412 2.622 0 40 DFAB COc1ccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)s2)cc1 36705192 PSNPFUNRHKSZAH-CYBMUJFWSA-N 317.414 2.940 0 40 DFAB CC[C@@H](COC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1 78556659 CHBDHAWBLQCFRY-ZFWWWQNUSA-N 304.390 2.514 0 40 DFAB CC(=O)N1CC[C@H]1c1cc(N2CCc3ccccc3C2)nc(C)n1 72387655 VKDMBTJVFYPGGB-SFHVURJKSA-N 322.412 2.641 0 40 DFAB Cc1ccnc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203053 CDLDDAGNZHFLPO-CYBMUJFWSA-N 306.410 2.987 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@@H](Oc2cccnn2)C1 225457652 SQFVGVQJQQHFIE-LLVKDONJSA-N 304.375 2.613 0 40 DFAB Nc1c(Cl)cc(NC(=O)c2cn3cccnc3n2)cc1Cl 60884847 XKXAXDDIJGNKKP-UHFFFAOYSA-N 322.155 2.871 0 40 DFAB CCS(=O)(=O)c1ccccc1N1CCOC2(CCCC2)C1 195576238 YQYKCHFDGVQTCT-UHFFFAOYSA-N 309.431 2.630 0 40 DFAB O=C1C[C@H](C(=O)O)[C@@H](c2ccc(OCc3ccccc3)cc2)O1 85394703 WLERNJMRYDEZQM-DOTOQJQBSA-N 312.321 2.954 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC(C)C 222654115 IAOWRKVMFIMXQT-OAHLLOKOSA-N 308.397 2.868 0 40 DFAB O=C1C[C@H](c2noc(-c3ccccn3)n2)CN1c1ccccc1 44213921 AFXDVUIEBSVFOR-LBPRGKRZSA-N 306.325 2.652 0 40 DFAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(C)(C)C(=O)O 572003548 OXBMPACPZOCCTQ-UHFFFAOYSA-N 319.279 2.654 0 40 DFAB COc1ccc([C@H]2C(C(=O)O)=CSc3[nH]c(=O)sc32)cc1 96318909 SKMPVSUASWMDQU-JTQLQIEISA-N 321.379 2.651 0 40 DFAB C[C@@H](Oc1ccc(OCc2ncc(C(C)(C)C)o2)cc1)C(N)=O 96472118 NBIFLKKLGJBBMT-LLVKDONJSA-N 318.373 2.804 0 40 DFAB CC(C)(C)Cc1cc(NC(=O)Cc2cn3ccsc3n2)[nH]n1 96423923 MPWOSWWPWHFLNM-UHFFFAOYSA-N 317.418 2.889 0 40 DFAB CC(C)[C@@H](CCO)NC(=O)Nc1cc(F)ccc1-n1cccn1 96434715 KGYMITGYTGCBIS-CYBMUJFWSA-N 320.368 2.540 0 40 DFAB C[C@H]1CCCCN1c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2 95096742 JHBTXVMNQNKCLL-VIFPVBQESA-N 313.810 2.774 0 40 DFAB CC(C)CN1CCC2(CCN(Cc3ccccn3)CC2)C1=O 96046771 DJOWDIOPFVKNKK-UHFFFAOYSA-N 301.434 2.552 0 40 DFAB COc1ccccc1[S@](=O)Cc1cn2cccc(C)c2n1 96459953 CNRQJTJTHFMQRE-NRFANRHFSA-N 300.383 2.959 0 40 DFAB c1cncc(-c2ncnc3c2CCN(Cc2nccs2)CC3)c1 96255310 ZMUZLEONFZMSCS-UHFFFAOYSA-N 323.425 2.596 0 40 DFAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(Cl)cc1 97953728 QJYISEKERHSOLC-SOUVJXGZSA-N 309.793 2.749 0 40 DFAB COc1ccc(Cn2c(N)c(C(N)=S)sc2=S)cc1 94992839 XSJASMFZAVGDMU-UHFFFAOYSA-N 311.457 2.552 0 40 DFAB O=C(C1=CCCC1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107494 QPOSCRLDZYQRLM-WMZOPIPTSA-N 305.418 2.673 0 40 DFAB Cc1ccoc1C(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1 253480173 VIWYJLYUNRNITD-CYBMUJFWSA-N 307.415 2.715 0 40 DFAB Cn1c(CN2CCC[C@H](c3cnccn3)C2)nc2ccccc21 257293447 QPLSOIGOIXDPRM-AWEZNQCLSA-N 307.401 2.743 0 40 DFAB Cc1cccc(C[C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 257232366 GKOQDPMWZIPCTH-OAHLLOKOSA-N 302.418 2.598 0 40 DFAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccn[nH]2)[nH]n1 257282135 OSLFXNNNNAJRIM-CYBMUJFWSA-N 301.394 2.798 0 40 DFAB COc1ccc(CCN(CCC(=O)O)C(=O)OC(C)(C)C)cc1 582468929 DGSXWEXFELIXFU-UHFFFAOYSA-N 323.389 2.950 0 40 DFAB CN1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccsc1 58356808 IREAJKHJDHYIOM-OAHLLOKOSA-N 320.439 2.933 0 40 DFAB CCN(CC)CCn1cc(NC(=O)Cc2ccc(C)s2)cn1 58342236 IWFSHXRUBSAWOC-UHFFFAOYSA-N 320.462 2.776 0 40 DFAB CC(C)CNC(=O)[C@H](C)Sc1nc(O)c2cc(F)ccc2n1 58306593 IBHHTPXVZKUXGS-VIFPVBQESA-N 323.393 2.727 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2CO)C1 89493353 VGQNCYFNAHGELZ-LZWOXQAQSA-N 320.458 2.572 0 40 DFAB C[C@H]1CCCN(C[C@H](C)NC(=O)CCCc2ccc(O)cc2)C1 107075863 QKBJJQKYIJPFRU-HOTGVXAUSA-N 318.461 2.952 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3N)o2)C[C@@H](C)O1 226301217 POCVCQDTEDEQMO-VXGBXAGGSA-N 300.358 2.778 0 40 DFAB O=C(NCc1cccs1)Nc1cnn(C[C@H]2CCCCO2)c1 390827414 GZBQZKUGHCELQT-CYBMUJFWSA-N 320.418 2.835 0 40 DFAB CCCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C 5798296 SFCVKGOVXZTSCX-UHFFFAOYSA-N 314.385 2.876 0 40 DFAB Cc1ccnn1CCC(=O)N1CCC[C@H]1CCc1ccncc1 2037670930 IPLVZXJPJIMICV-KRWDZBQOSA-N 312.417 2.600 0 40 DFAB CCOc1ccccc1-n1ccn(CC2CCCC2)c(=O)c1=O 2086954112 OOPIPISXAAVYEO-UHFFFAOYSA-N 314.385 2.588 0 40 DFAB CC(C)c1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc1 40096945 NYBQWIMKDVMGBY-QGZVFWFLSA-N 319.449 2.778 0 40 DFAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 30029053 QOZMHLFZRAAVGV-SFHVURJKSA-N 312.388 2.884 0 40 DFAB COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccc3)cnc12 489559 QAYOYLHEYYDGSQ-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB biogenic CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCCC1 7810737 YGBJPGJGPYUONZ-UHFFFAOYSA-N 313.401 2.852 0 40 DFAB COc1ccc(COC[C@@H](O)Cn2cnc3ccccc32)cc1 40459186 KJKKBWWEJNQDKY-HNNXBMFYSA-N 312.369 2.623 0 40 DFAB O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 241045 KNCKFVUBJAWFPQ-ZHACJKMWSA-N 303.339 2.797 0 40 DFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4652463 GVYPEOMHGUHARS-VQSQSKOLSA-N 321.760 2.810 0 40 DFAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1C 101277662 ABXWECWQIVEBPR-JKSUJKDBSA-N 320.352 2.801 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)c1ccccc1F 28912371 ORTFKYPPWLVJBM-AWEZNQCLSA-N 320.364 2.504 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2ccccc2C)c1=O 6679090 HGBBQDIRKFHHHW-UHFFFAOYSA-N 300.383 2.601 0 40 DFAB CN1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 6734513 MPZWHKTVZBFTEH-UHFFFAOYSA-N 304.777 2.988 0 40 DFAB O=C(CSc1ncn[nH]1)Nc1cccc(Cl)c1Cl 7603838 ANABBYDQRBLOMG-UHFFFAOYSA-N 303.174 2.842 0 40 DFAB CCOc1ccccc1NC(=O)CSc1nncn1C1CC1 11466895 MWOFQORZYYAXEF-UHFFFAOYSA-N 318.402 2.743 0 40 DFAB O=C1CCc2cc(C(=O)OCc3nccn3C(F)F)ccc2N1 32853974 GEWLUPXGVUKONR-UHFFFAOYSA-N 321.283 2.520 0 40 DFAB O=C(NCCNc1ncccn1)c1ccc(Cl)cc1Cl 32913210 UTVZGOZCRWJKGD-UHFFFAOYSA-N 311.172 2.625 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccs2)c1C 2657631 VRPXUGOREBRBNQ-UHFFFAOYSA-N 305.355 2.935 0 40 DFAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 8088311 PMJSZYAXBXNNIU-UHFFFAOYSA-N 312.435 2.700 0 40 DFAB Cc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)n1 25944172 NTIMAPCLKJFNQV-HNNXBMFYSA-N 309.413 2.567 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3cccn3C)nc12 8184501 SDFSJXADGMCIKM-KRWDZBQOSA-N 322.412 2.679 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@@H](C)Cn2cccn2)c1Cl 42366817 ADOXDUQGZHOJPI-NSHDSACASA-N 323.828 2.660 0 40 DFAB C[C@H](NC(=O)CN1CCCCCC1=O)c1ccccc1Cl 23711892 CYCVFXHZQOBEMX-LBPRGKRZSA-N 308.809 2.920 0 40 DFAB O=C(Cc1cn2ccsc2n1)N[C@@H]1CCOc2ccccc21 8391089 XQIQHFMWDHQGFA-CYBMUJFWSA-N 313.382 2.578 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F 43159368 GPTCNAASHVQIOS-VIFPVBQESA-N 317.311 2.742 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1ccc(-n2cccn2)nc1 3052319 PWRUBHXKBPPTFJ-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB Cc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc2sccn32)c1 1431802 LAPHTCJIFBCMMS-LLVKDONJSA-N 311.366 2.539 0 40 DFAB Cc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)c(C)s1 25248890 KXDWYLLOAJWDPN-UHFFFAOYSA-N 308.447 2.742 0 40 DFAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)cc1 26842763 SKAULBOQKSTNME-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB Cc1cnc(C(=O)OCc2csc(-c3ccco3)n2)cn1 25460473 LDGXBGNAXWEBHO-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(OC)ccc1O2 170495478 MBHMLKYCQSBHGQ-UHFFFAOYSA-N 319.357 2.652 0 40 DFAB CCOCCCNS(=O)(=O)c1cc(C(C)C)ccc1OC 408701093 RENOVLWCDZWEMD-UHFFFAOYSA-N 315.435 2.524 0 40 DFAB C[C@@H]1C[C@H](C(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC(=O)N1 108176830 QASFSYCKOUSDHG-BZPMIXESSA-N 314.385 2.867 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)Nc1cc(F)ccc1F 3245376 MRHMDHNTXTZCEU-GQCTYLIASA-N 307.252 2.753 0 40 DFAB CCCc1nnc2n1N[C@@H](c1ccc(OC)c(OC)c1)S2 26441806 PZJZZDBNYHXOAQ-CYBMUJFWSA-N 306.391 2.596 0 40 DFAB CC1CCC(N(C)C(=O)c2cccc(S(C)(=O)=O)c2)CC1 12746157 KYBFSGDQMZTNIT-UHFFFAOYSA-N 309.431 2.741 0 40 DFAB O=C(/C=C/c1cccc(Cl)c1)NCCCCN1CCOCC1 48284666 VQCMWXYUCDEIHB-VOTSOKGWSA-N 322.836 2.582 0 40 DFAB O=C(Cc1cccs1)NCc1ccc(N2CCCCC2)nc1 48373208 SZAXLGSBUSWRCM-UHFFFAOYSA-N 315.442 2.992 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2c2cnc3ccccc3n2)n1 69453433 XDCREHWFLSPJHO-CQSZACIVSA-N 308.389 2.507 0 40 DFAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)nc1 6316476 GVYZLFXVPUVUMS-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB in-vitro CCCOCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 65462630 WKOFYBGMQWDNJJ-ZDUSSCGKSA-N 301.390 2.696 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c1 6486600 HNEKCKXMLZDSDV-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)sc1C 14183349 QXIBRTDBFVVAHM-HNNXBMFYSA-N 317.410 2.879 0 40 DFAB CSc1ccc(C)c(C(=O)N2CCCC[C@H]2CC(N)=O)c1 69596287 HDNZKSOUTXUJDR-LBPRGKRZSA-N 306.431 2.587 0 40 DFAB CC(C)n1cnnc1C1CCN(C(=O)NCC2CCCC2)CC1 69698493 ICXBDCWRYWROKP-UHFFFAOYSA-N 319.453 2.938 0 40 DFAB O=C(OCc1nnc(-c2ccccc2)o1)c1n[nH]c2ccccc12 4823001 FXQAGYCAUUDISG-UHFFFAOYSA-N 320.308 2.970 0 40 DFAB CCC1CCC(CNC(=O)N2CCC(N(C)C(C)=O)CC2)CC1 69739714 QZPBMOFNNXWOMH-UHFFFAOYSA-N 323.481 2.855 0 40 DFAB Cc1occc1COC(=O)[C@@H]1CCCN(c2ccccn2)C1 69706989 FIADYQUCQINTDK-CQSZACIVSA-N 300.358 2.943 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccsc1 69818682 ZLBXLKXELLYABP-SMDDNHRTSA-N 320.370 2.527 0 40 DFAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nncs1 7194146 BZPDFDGVLDTETG-BDAKNGLRSA-N 311.436 2.825 0 40 DFAB O=C(NC1CCSCC1)N1CCO[C@@H](c2ccccc2F)C1 67416833 NGYNPSIXBSXDKI-OAHLLOKOSA-N 324.421 2.804 0 40 DFAB CCc1oc2ccccc2c1CN1CCC(NC(N)=O)CC1 93051366 RWSQFVRCBHCAJT-UHFFFAOYSA-N 301.390 2.628 0 40 DFAB CC(C)CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 75134374 IAWRTWKMPGPQNH-LBPRGKRZSA-N 304.312 2.694 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)c(=O)[nH]1 75118962 YIWOMDQORUPZKT-INIZCTEOSA-N 308.337 2.796 0 40 DFAB COC(=O)CCC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 71882804 YTKWZJPBCMVSSH-LLVKDONJSA-N 319.357 2.880 0 40 DFAB COc1ccccc1CC(=O)N1CCCC[C@H]1Cn1cccn1 71864989 RGQOBQGPFBBXHQ-INIZCTEOSA-N 313.401 2.516 0 40 DFAB Cc1nnc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)s1 89740818 ZUUMVQWVYMDPFS-GZMMTYOYSA-N 324.431 2.902 0 40 DFAB CN(C)[C@H](CNC(=O)[C@@H]1COc2ccccc21)c1cccs1 71904519 YTBFYJJYAHNQTF-ZIAGYGMSSA-N 316.426 2.643 0 40 DFAB c1ccc(-c2nccc(N3CCCC[C@H]3Cn3cncn3)n2)cc1 89851383 RANDKBKJVYOGBU-INIZCTEOSA-N 320.400 2.794 0 40 DFAB Cc1ccc(C2(C(=O)N3CCC[C@@H](N(C)C)CC3)CC2)cc1 72174257 BDSDMAAQCZMGIF-QGZVFWFLSA-N 300.446 2.969 0 40 DFAB O=S(=O)(CC1CCCCC1)N1CCO[C@@H]2CCCC[C@@H]21 72230513 HLMSTLGBFFCQIA-LSDHHAIUSA-N 301.452 2.540 0 40 DFAB Cc1cc(CNC(=O)CCc2ccc(Br)cc2)on1 97011775 YEHVJRKYZPZDLQ-UHFFFAOYSA-N 323.190 2.995 0 40 DFAB CCNC(=O)c1ccc(NC(=O)NC2Cc3ccccc3C2)cc1 97140874 WBWYAQFIRJYNIS-UHFFFAOYSA-N 323.396 2.725 0 40 DFAB CC(=O)N1CCN([C@@H]2CCCOc3c(C)cc(C)cc32)CC1 97165316 HXTKEHFORVWCJX-QGZVFWFLSA-N 302.418 2.681 0 40 DFAB Cc1cc(C(=O)Nc2ccc(F)nc2F)c2c(C)noc2n1 97117828 QOHKZVSCVWFHQG-UHFFFAOYSA-N 304.256 2.765 0 40 DFAB Cn1nccc1C(=O)Nc1ccc(Cl)cc1OC(F)F 97139763 PAVGHPKCNWOPMS-UHFFFAOYSA-N 301.680 2.927 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC(C)(C)C1(C)C 72309998 BMOASNICMSODAW-CYBMUJFWSA-N 306.406 2.681 0 40 DFAB COC1CCN(C(=O)NC[C@@H](C)Sc2ccccc2)CC1 75805329 NCCNZKBAAKDHFU-CYBMUJFWSA-N 308.447 2.988 0 40 DFAB CCN1CCN(C(=O)[C@@H](C)N[C@H](C)c2cc(C)sc2C)CC1 95350318 OBEJDYMXLVUVRL-ZIAGYGMSSA-N 323.506 2.568 0 40 DFAB Cc1nnc2ccc(N3CCC[C@H]3c3ccc4c(c3)OCO4)nn12 78774531 DYYGVMNMTFPRLN-ZDUSSCGKSA-N 323.356 2.503 0 40 DFAB O=C(Nc1cc(Cl)cc(Br)c1O)c1cnc[nH]1 79014429 RDXVMHYTXFHJGP-UHFFFAOYSA-N 316.542 2.784 0 40 DFAB Cc1ccc(CNC(=O)N(C)C2CC2)c(OC[C@@H]2CCOC2)c1 88636388 VGVFHSYTWPDFQB-CQSZACIVSA-N 318.417 2.714 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCO[C@H](C)C3)c2cc1Cl 24714624 LLOQYANBNBXPMB-LLVKDONJSA-N 307.777 2.976 0 40 DFAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@@H]1CCCO1 32611692 ZQKZKJRMPDSLKS-AWEZNQCLSA-N 308.328 2.592 0 40 DFAB CO[C@H]1CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 38818222 QNAATGUUOVFIKV-QWRGUYRKSA-N 301.383 2.700 0 40 DFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCC[C@@H](O)C1 77484320 VBWZRJVIEMLIIN-CYBMUJFWSA-N 303.337 2.605 0 40 DFAB CCN(Cc1ccoc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 77741164 WNVUEPYMZSFIKX-CQSZACIVSA-N 322.405 2.885 0 40 DFAB CCc1noc(CS(=O)(=O)Cc2ccc(F)cc2Cl)n1 32929705 QGLMHMQRUXTTJB-UHFFFAOYSA-N 318.757 2.540 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)c1ccccc1C(F)(F)F 79001853 IHCLDMIJALCNPH-OAQYLSRUSA-N 321.364 2.982 0 40 DFAB COc1ccc(F)cc1CSCC(=O)NCc1ccccn1 78412257 PFWCTMPQSVPPLA-UHFFFAOYSA-N 320.389 2.779 0 40 DFAB CO[C@@H]1C[C@H](NC(=O)Cc2nsc3ccccc23)C12CCC2 564862165 GYVJQNPGEOBCEG-LSDHHAIUSA-N 316.426 2.913 0 40 DFAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cncc(Cl)c1)C2 503784787 GGZCJDLYUBTKBQ-DOTOQJQBSA-N 321.852 2.815 0 40 DFAB O=C(CNC(=O)c1ccccc1)N[C@H](c1ccccc1)C1CC1 40024455 KZKQJKXADHREMY-GOSISDBHSA-N 308.381 2.684 0 40 DFAB COc1ccc(C[C@H](OCc2ccccc2)C(=O)O)c(OC)c1 225114182 PFOMRZINDPRNES-KRWDZBQOSA-N 316.353 2.916 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccccc2OC)C1 41058328 LQGBFOVQSLVUGW-NKSUMMKUSA-N 317.385 2.510 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 225144778 MUUDCRTYNZUGEM-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB Cc1noc(C2CCN([C@H](C(=O)O)c3ccccc3C)CC2)n1 521055759 BMHOHTVRMYMPDO-HNNXBMFYSA-N 315.373 2.692 0 40 DFAB C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3ncc[nH]3)CC2)CCO1 332909426 XQYDWMIPQGOAAC-KBPBESRZSA-N 320.437 2.504 0 40 DFAB CC[C@@H](C)n1nc(C(=O)N2C[C@H](CO)c3ccccc32)cc1C 331589900 MWGGKQAUKAXQBF-TZMCWYRMSA-N 313.401 2.899 0 40 DFAB Cc1cc(NC(=O)CCN2CCCC[C@@H]2c2nccs2)no1 195362135 JWICNLKBYOIRNK-GFCCVEGCSA-N 320.418 2.995 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@](C)(O)c1ccccc1Cl 97378973 VDTQEHCPVSQYSQ-INIZCTEOSA-N 322.792 2.511 0 40 DFAB CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C(N)=O 96404741 AIIIQGBOJLERRW-CHWSQXEVSA-N 308.809 2.604 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)CO1 96105837 UMSPTPQLBFEIGC-ISZGNANSSA-N 321.442 2.805 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)c2cccnc2)cc1CO 95447813 WIWJQUCVZSITBN-LBPRGKRZSA-N 300.358 2.715 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)CO1 96105781 WJBKRWMHSBWFNT-AWEZNQCLSA-N 307.390 2.554 0 40 DFAB CC[C@@H](COC)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 96415868 ASUMIKCWQWXJKE-ZDUSSCGKSA-N 309.385 2.972 0 40 DFAB C[C@@H]1C[C@H](OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)CC(C)(C)C1 95532658 NXZJLWYLJHLXEE-UUAJXVIYSA-N 313.482 2.688 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(F)cc1 96181891 BMJSYAHYWSOLNG-RDJZCZTQSA-N 318.392 2.794 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 98177447 PIXFHVWJOVNKQK-XIUJQUJCSA-N 306.446 2.930 0 40 DFAB Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc21 96318699 YEPZZZRYYFFZDY-UHFFFAOYSA-N 320.440 2.891 0 40 DFAB O=C(OCC[C@@H]1CCCO1)C1(c2ccc(F)cc2)CCOCC1 96453085 KQGDSLWTUYUHBR-INIZCTEOSA-N 322.376 2.986 0 40 DFAB c1ccc(-c2cnc3n2C[C@H](CNCc2ccncc2)OC3)cc1 96269363 ICGXDHZUPJHMEZ-KRWDZBQOSA-N 320.396 2.634 0 40 DFAB biogenic,in-vitro Cc1ccccc1-n1c(C)nnc1SC[C@H](O)C(F)(F)F 97377995 LOKGEJKIROLWDJ-NSHDSACASA-N 317.336 2.899 0 40 DFAB CC(C)c1cc(CNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)on1 96440327 CDSFRWPLBGBTBY-AGUYFDCRSA-N 320.437 2.613 0 40 DFAB CN(Cc1ccc(Cl)s1)C(=O)c1cnc2c(c1)ncn2C 97235117 WJKOICRJADFXAG-UHFFFAOYSA-N 320.805 2.955 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1C 95948578 XITUYTVNFVKXHX-UHFFFAOYSA-N 306.387 2.898 0 40 DFAB Fc1cccnc1O[C@@H]1CCOC2(C1)CN(Cc1ccco1)C2 247563759 ZPZLAUIXCUWAOV-CYBMUJFWSA-N 318.348 2.626 0 40 DFAB COc1ccc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 252516207 QNIDNHUFECBVGI-ROUUACIJSA-N 310.397 2.979 0 40 DFAB COc1ncc(Cl)c(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n1 583615449 BKOSYCDETVCDNV-YPMHNXCESA-N 323.755 2.590 0 40 DFAB Cc1nc([C@@H]2CCCCN2)ncc1C(=O)NCc1ccccc1 257290159 QBUZEELIZYBRMV-INIZCTEOSA-N 310.401 2.530 0 40 DFAB Cc1nc(-c2cccs2)sc1CNC(=O)c1cnccn1 85470959 HMZVVXWUXOKBBQ-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB Cc1cc([N+](=O)[O-])c(C#N)cc1NCCc1csc(O)n1 390835317 KKQOSBYELZLHAM-UHFFFAOYSA-N 304.331 2.592 0 40 DFAB NC(=O)CN(C(=O)Cc1cccc2ccccc12)C1CCCC1 47236115 SPNAXYGFVUVZGB-UHFFFAOYSA-N 310.397 2.639 0 40 DFAB Cc1cccc(C2(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)c1 65608200 FSOKZJHUGHEGEI-AWEZNQCLSA-N 314.429 2.590 0 40 DFAB COc1ccc(C[C@@](C)(O)CNC(=O)NC2CCCCC2)cc1 75155584 YVIGXYPHATZHGF-GOSISDBHSA-N 320.433 2.621 0 40 DFAB COc1cccc(OCC(=O)N[C@@H](CCO)C2CCCCC2)c1 95441329 VRAGGLRMDVXOJJ-KRWDZBQOSA-N 321.417 2.522 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)c1cccn1C1CC1 95994752 RXCCZOBAZWZKNI-UHFFFAOYSA-N 310.401 2.748 0 40 DFAB O=C(OC1CCOCC1)c1c[nH]nc1-c1c(F)cccc1F 97380191 XUVXFHJSSQCMJF-UHFFFAOYSA-N 308.284 2.691 0 40 DFAB COC(=O)[C@@]1(C(C)C)CCc2c(OC)ccc(OC)c2C1=O 5733300 CIQYNBXONJQVIW-QGZVFWFLSA-N 306.358 2.648 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 16028741 CWWHZJIHNISSSE-MRXNPFEDSA-N 308.381 2.982 0 40 DFAB CC1=NN(c2ccccc2)C(=O)[C@H]1NC(=O)c1ccc(C)cc1 5540702 HECYOUNUQOHNDS-INIZCTEOSA-N 307.353 2.516 0 40 DFAB COc1ccc(Cc2noc(Cc3c(C)nn(C)c3C)n2)cc1 78774453 VOOCBGDQLOGZDS-UHFFFAOYSA-N 312.373 2.610 0 40 DFAB c1ccc(N2C[C@@H]3[C@H](CCN3c3nnc(C4CC4)s3)C2)nc1 1889096354 SBZBACOLZGNNPC-CHWSQXEVSA-N 313.430 2.526 0 40 DFAB Cc1ccc(C)c(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 18178655 GBEGMQAAPDRIFS-OKILXGFUSA-N 303.402 2.965 0 40 DFAB COc1ccc(C(N)=O)c(OCc2cc(-c3ccco3)on2)c1 21585631 FEQHZODVACUKDE-UHFFFAOYSA-N 314.297 2.621 0 40 DFAB O=S(=O)(Nc1cccc(-c2ccn[nH]2)c1)c1cccs1 31534566 QVTVDPJQISGFOP-UHFFFAOYSA-N 305.384 2.939 0 40 DFAB CN(C(=O)c1ccccc1C(=O)O)C1CC(C)(C)NC(C)(C)C1 56270 PSUJDBREMSVUIF-UHFFFAOYSA-N 318.417 2.766 0 40 DFAB c1cnc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cn1 4511377 AFHXRSFWRDXROO-UHFFFAOYSA-N 308.370 2.675 0 40 DFAB COCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12 6505078 HXBFVIANZMOYHK-UHFFFAOYSA-N 309.391 2.758 0 40 DFAB OCC1CCN(c2ncnc3ccc(Br)cc23)CC1 301126147 VYRYUQLNSYQUBE-UHFFFAOYSA-N 322.206 2.601 0 40 DFAB O=C(NC1CC1)C1CCN(c2nc(C(F)(F)F)cs2)CC1 362199965 JEVAIXNGJGLNIE-UHFFFAOYSA-N 319.352 2.657 0 40 DFAB CSc1nc(C)cc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 2298175219 QTTZQCBKTFWUGN-GFCCVEGCSA-N 322.478 2.638 0 40 DFAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)O 35096841 MNPCHORTUABDDX-LLVKDONJSA-N 301.795 2.553 0 40 DFAB O=C(NC[C@H]1C[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 96405546 XVVVEZWZRZXUAU-QAPCUYQASA-N 313.445 2.716 0 40 DFAB C[C@H]1C[C@H](Sc2nnc3ccc(C(F)(F)F)cn23)C(=O)O1 40040293 TWDHXTNYHSNHES-XPUUQOCRSA-N 317.292 2.544 0 40 DFAB COc1ccc(C(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 49896 SDFIPZYMKHEFDC-UHFFFAOYSA-N 303.701 2.945 0 40 DFAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccnc1 416564 LFTYIXJHVSWIAV-UHFFFAOYSA-N 314.345 2.915 0 40 DFAB COc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 2706555 LTFYMMZDJUEFMK-UHFFFAOYSA-N 308.337 2.649 0 40 DFAB O=C1NC(=S)N/C1=C\c1ccc(OCc2ccccc2)cc1 2904745 FSXAKMDBNIKYRG-GDNBJRDFSA-N 310.378 2.611 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c(C)c1 3166616 GZLDBGHYWJNKQX-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccs1 3252886 HFOMKFVYHGLDEZ-BOLDSZDNSA-N 315.394 2.662 0 40 DFAB CC1CCN(C(=O)CSc2ncnc3ccccc23)CC1 3262345 JORQNWAUYCJNRV-UHFFFAOYSA-N 301.415 2.980 0 40 DFAB CN(C)c1cccc(C(=O)OCC(=O)N(C)c2ccccc2)c1 3270527 WISITFGIILMDTC-UHFFFAOYSA-N 312.369 2.572 0 40 DFAB CC1CCC2(CC1)NC(=O)N(C[C@@H]1CC1(Cl)Cl)C2=O 3412795 CCEAQWORNRIZOE-XEVUQIKYSA-N 305.205 2.681 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C 3487193 XBRGGHCXRYWLKP-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB COc1ccc(C[C@H](CC(=O)Nc2ccccc2)C(=O)O)cc1 3902913 KQDXKOCAJGYGAZ-CQSZACIVSA-N 313.353 2.967 0 40 DFAB COc1cc2ccccc2cc1C(=O)NCCCn1ccnc1 5265212 SGJSWMRAGCLKAT-UHFFFAOYSA-N 309.369 2.865 0 40 DFAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CO 5511300 LXNAZJCBVSOEBU-WTKPLQERSA-N 304.154 2.980 0 40 DFAB CCc1cccc2c(C(=O)COC(=O)c3cnc(C)cn3)c[nH]c12 5637012 JWUDAHKCBSTNJT-UHFFFAOYSA-N 323.352 2.868 0 40 DFAB CN(CCCNC(=O)c1cccs1)C(=O)c1cccs1 6178179 UXNPYQYEQHNIMF-UHFFFAOYSA-N 308.428 2.702 0 40 DFAB O=S(=O)(NCc1ccco1)c1cccc(Br)c1 6314638 GXEDPOCJNDNWHJ-UHFFFAOYSA-N 316.176 2.521 0 40 DFAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C)CC3)cc1 6688058 HPVBEMRHMBKASY-NSWWBONSSA-N 317.385 2.827 0 40 DFAB Cc1cccc(-c2nnc3sc(NC(=O)C(C)C)nn23)c1 6818179 UFYFIEQLHUYJRZ-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB COc1cccc(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 6874617 GNFVAXGFISQRFH-PXAZEXFGSA-N 302.374 2.696 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 7595620 VGFZUZKDPGHDSK-CYBMUJFWSA-N 312.369 2.794 0 40 DFAB COc1ccc(C(=O)NCC(=O)OCC2CCCCC2)cc1 7678879 SANRAWWGWHGHQQ-UHFFFAOYSA-N 305.374 2.549 0 40 DFAB Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1C1CC1 8133143 DQHKJJBGVWCXRZ-UHFFFAOYSA-N 319.434 2.982 0 40 DFAB O=C(OCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 9690684 VQFOZVVHISRECN-UHFFFAOYSA-N 320.348 2.649 0 40 DFAB COc1ccc2c(CC(=O)N3CCCCCC3)cc(=O)oc2c1 9705014 HTGPERZLIUKULQ-UHFFFAOYSA-N 315.369 2.747 0 40 DFAB Cc1sc2nc(CSc3ncccn3)nc(N)c2c1C 9945571 UNCMLGLPQKZVFQ-UHFFFAOYSA-N 303.416 2.973 0 40 DFAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2ncnn12 10338715 BZKVNSQRLGWCMQ-UHFFFAOYSA-N 321.262 2.704 0 40 DFAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(S(C)(=O)=O)cc1 10968777 WTTWFPQIYOWKNS-OLZOCXBDSA-N 307.415 2.624 0 40 DFAB Cc1nn(C)cc1CN(C)C(=O)c1cccc(Br)c1 12065020 NEXWCAKLBJBZTP-UHFFFAOYSA-N 322.206 2.763 0 40 DFAB CCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nc2ccccc21 12145826 JIKZIMSWAMFWRG-ZDUSSCGKSA-N 312.417 2.551 0 40 DFAB COc1ccccc1C[C@H](C)NC(=O)c1cc(C2CC2)nn1C 12196737 JWRZNSJSBQETRG-LBPRGKRZSA-N 313.401 2.667 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)NCc2ccccc2Cl)cn1 12539035 RRPUNTNOHNYULK-NSHDSACASA-N 319.792 2.860 0 40 DFAB Cc1cc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)no1 12822096 PDPCHPUGJMWGTI-UHFFFAOYSA-N 324.340 2.607 0 40 DFAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2c(Cl)cnn2C)n1 19291024 MIXYZTXCNWYXQR-ZDUSSCGKSA-N 321.812 2.565 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)[C@]1(C)CC1(Cl)Cl 21938399 IBPXEYZRUFZPBJ-AWEZNQCLSA-N 315.244 2.948 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]1c1ccc(F)cc1 22018784 MIIDNLSEHAPUCM-OLZOCXBDSA-N 311.316 2.738 0 40 DFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)c(Cl)c1 22526394 DGRDTPZXCJETBJ-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB COc1ccccc1[C@H](CNC(=O)c1ccco1)N1CCCC1 23982262 MJJIDJJKHZAALN-HNNXBMFYSA-N 314.385 2.855 0 40 DFAB COc1cccc2c1N(Cc1nnnn1-c1ccccc1)CCC2 26338906 FCFDLXHVBSXBFG-UHFFFAOYSA-N 321.384 2.624 0 40 DFAB Cc1ccc2nc(NC(=O)CCc3cnn(C)c3)sc2c1 28243503 QLYDGPCBKVMSEK-UHFFFAOYSA-N 300.387 2.910 0 40 DFAB CC1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)CC1 31200715 DONOMRZQJMKGHB-SFHVURJKSA-N 316.445 2.714 0 40 DFAB COc1cccc(CNC(=S)Nc2ccc3c(c2)OCO3)c1 33858384 NGHRAUHMXVTYCV-UHFFFAOYSA-N 316.382 2.911 0 40 DFAB O=C(CSc1nnns1)Nc1ccccc1C(F)(F)F 35291199 TXTQYHDTQGDDIM-UHFFFAOYSA-N 320.321 2.683 0 40 DFAB COc1ccc2[nH]c([C@H]3CCN(Cc4ccncc4)C3)nc2c1 35446786 GOVRADJOBNJNIH-AWEZNQCLSA-N 308.385 2.956 0 40 DFAB biogenic,in-vitro COCCOCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 37132954 GWYUNOWRYCXRBP-UHFFFAOYSA-N 321.373 2.720 0 40 DFAB CC(C)NC(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670511 JDYQVURPRRKCFK-UHFFFAOYSA-N 304.350 2.627 0 40 DFAB O=C(O)c1nnn(-c2cccc(Cl)c2)c1-c1cccnc1 40478847 PJOFRSXMKGKQSS-UHFFFAOYSA-N 300.705 2.681 0 40 DFAB in-vitro O=C(Cc1cccc(-c2nc3ccccc3o2)c1)N1CCOCC1 41127623 NQYRZBSMMGFJKZ-UHFFFAOYSA-N 322.364 2.896 0 40 DFAB CN(Cc1ccsc1)C(=O)NCCc1ccc2c(c1)OCO2 44908657 HGQAUOKCNQOZDK-UHFFFAOYSA-N 318.398 2.861 0 40 DFAB O=C(CCN1CCSC1=O)NCc1cc2ccccc2o1 44952568 BJJJCOTWWFDFHY-UHFFFAOYSA-N 304.371 2.608 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CC(C)C)C2)n1 47291573 XPRJYRHPZAILJY-AWEZNQCLSA-N 303.406 2.613 0 40 DFAB O=C(NCc1ccoc1)Nc1cccc(C(=O)N2CCCC2)c1 47837997 LYQNYVZCNGLWOH-UHFFFAOYSA-N 313.357 2.837 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(N2CCCC2)nc1 48087243 NSRLJKTZFCIXHJ-ZIAGYGMSSA-N 317.437 2.981 0 40 DFAB CCCCN(C)S(=O)(=O)N[C@@H]1CCc2c(Cl)cccc21 49336171 CRRJOAKQRVIWFS-CQSZACIVSA-N 316.854 2.894 0 40 DFAB O=C(Nc1ccc(F)cc1)c1c(O)c2sccc2[nH]c1=O 49409441 QYVKISDNEPIXNW-UHFFFAOYSA-N 304.302 2.687 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)no1 52355883 RTUMWDASMZXAMR-CQSZACIVSA-N 302.378 2.912 0 40 DFAB CCc1c(C)sc2nc(CC(=O)c3ccco3)[nH]c(=O)c12 53843419 ZCXPDDMCPYHOGN-UHFFFAOYSA-N 302.355 2.874 0 40 DFAB C[C@@H](Nc1cnc2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 54060339 UUDVNSHCIKZUOZ-SNVBAGLBSA-N 305.341 2.973 0 40 DFAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCCCC2 54536933 DJCKJRZBIRKHHY-SNVBAGLBSA-N 320.343 2.774 0 40 DFAB CC(=O)NCCCCCC(=O)Nc1ccc(N(C)C)cc1C 55383106 IOEULRKNQLHWHV-UHFFFAOYSA-N 305.422 2.696 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3cscn3)CC2)c(C)s1 55438479 XGJXWLFAYNVSOE-UHFFFAOYSA-N 321.471 2.779 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)OC12CCCCC2)c1ccncc1 57355689 GTXJLFKVYWYANR-JSGCOSHPSA-N 302.374 2.525 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)c(C)c1 57472049 GFVKWXOVHZEMIY-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCn2cnc3ccccc32)c1C 58310700 PTODFBZBYDKRJR-UHFFFAOYSA-N 324.384 2.614 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)Cc2noc3ccccc23)C1 58393875 YGSULESUONTYTJ-AWEZNQCLSA-N 315.417 2.607 0 40 DFAB C(=C/c1ccccc1)\CN1CCN(c2ncnc3[nH]ccc23)CC1 65408508 IICCIGVIPMETET-QPJJXVBHSA-N 319.412 2.793 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCc2sccc2C1 65435065 BRKRFUHVTHJFEA-BDJLRTHQSA-N 315.394 2.861 0 40 DFAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCCC1=O 65588094 XHWMWPHMGKZFJH-BLLLJJGKSA-N 306.381 2.650 0 40 DFAB Cc1nccn1CCCNC(=O)Nc1cccc2c1ccn2C 65608239 AFTFYTLYRXWDPD-UHFFFAOYSA-N 311.389 2.895 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)s1 67811937 NKYRJFOMIACZTJ-RYUDHWBXSA-N 301.367 2.821 0 40 DFAB O=C(NCCCc1cccc(F)c1)c1ccc2c(c1)OCO2 68181557 PPIAJVAMLHXGGX-UHFFFAOYSA-N 301.317 2.917 0 40 DFAB C[C@@H](c1cccnc1)N(C(=O)CN1CCCCCC1=O)C1CC1 69379707 BMUPHCSLHPGJHH-AWEZNQCLSA-N 315.417 2.536 0 40 DFAB O=C(c1cccc(F)c1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69454505 VCDADVAWKDDVEH-UHFFFAOYSA-N 314.364 2.841 0 40 DFAB Cc1ncc2c(n1)CN(Cc1nc3ccccc3nc1C)CC2 69483773 NURDTFWASHYJAP-UHFFFAOYSA-N 305.385 2.595 0 40 DFAB O=C(c1cccc2c1OCCO2)N(Cc1ccccn1)C1CC1 69583443 IMKFTTIEVNHRDJ-UHFFFAOYSA-N 310.353 2.658 0 40 DFAB COc1cccc2cc(CNC(=O)N3CCOC(C)(C)C3)oc12 69666052 SYBIQXFEKWMUGM-UHFFFAOYSA-N 318.373 2.762 0 40 DFAB CCCn1nccc1NC(=O)NC[C@@H]1CCc2ccccc2N1 69698471 QBSHMUPHPKIHNY-AWEZNQCLSA-N 313.405 2.842 0 40 DFAB CCCCc1nc(CN2CCC[C@H](Cn3cncn3)C2)cs1 69816551 VJJOWDJMKHPWSW-AWEZNQCLSA-N 319.478 2.989 0 40 DFAB Cc1nc2n(n1)C[C@H](NCCOc1cccc3ccccc13)CC2 69951254 ZHTMAVTWWNPHFR-MRXNPFEDSA-N 322.412 2.723 0 40 DFAB Cc1nccnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 72203901 BPNHXZDBNZWUFI-ZDUSSCGKSA-N 306.410 2.621 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)ccc2F)c1C 72239101 LQBPUHDUWHIFBN-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB CC[C@@](C)(NC(=O)[C@@H]1Cc2ccccc2O1)c1nccs1 72292243 SFYASORBGWGNST-XJKSGUPXSA-N 302.399 2.888 0 40 DFAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2ccccc2)cc1 74803179 QUPDKKSUTXVOGC-QGZVFWFLSA-N 320.392 2.847 0 40 DFAB CC[C@@H]1CCc2ccccc2N1C(=O)COCc1nc(C)no1 75093899 WSPVKCRFXKXKHN-CQSZACIVSA-N 315.373 2.653 0 40 DFAB CC(=O)N1C[C@H](C)CN(C(=O)[C@H]2CCCS2)c2ccccc21 75216448 LTLXTEHFQJTIEN-BLLLJJGKSA-N 318.442 2.918 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c(SC(F)(F)F)c1 75582030 WKFPEBQIZWIKBX-SECBINFHSA-N 318.320 2.824 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 76041536 ILXMVDKHINHVHJ-JKSUJKDBSA-N 324.380 2.615 0 40 DFAB Cc1nccc(CNC(=O)Nc2cccc(-c3nccn3C)c2)n1 77445313 KPNAGJCBDCNMDP-UHFFFAOYSA-N 322.372 2.507 0 40 DFAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC2)c1 78228301 AFXOTRHNWWVJMI-UHFFFAOYSA-N 302.403 2.539 0 40 DFAB C1C[C@H](c2noc(C3CC3)n2)CN(Cc2nc(C3CC3)no2)C1 78890797 DFVOZQBAUJUKPF-LBPRGKRZSA-N 315.377 2.587 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1 78985475 QUXWGBOFXLZBBY-HUUCEWRRSA-N 303.358 2.759 0 40 DFAB CCc1n[nH]c(NC(=O)c2cncc(C)c2)c1Br 78998308 IWEVBQQQBGWXIN-UHFFFAOYSA-N 309.167 2.690 0 40 DFAB CCN(CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391694 RELNPKQLHWOXOA-DLBZAZTESA-N 320.433 2.538 0 40 DFAB C[S@@](=O)Cc1cccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 83990162 MFCHVOLKUBYHLG-AOMKIAJQSA-N 316.426 2.871 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCCN2CCC[C@H]2C1 84451581 OPPLLHCSDOFDST-LBPRGKRZSA-N 301.365 2.617 0 40 DFAB C/C=C/c1cc(C(=O)N2CCN(C)C[C@@H]2C)cc(OC)c1OC 89597913 IOCULWWOQOEQJD-YBJDMEARSA-N 318.417 2.513 0 40 DFAB NC(=O)COc1ccc(CNc2cccc(-c3cnco3)c2)cc1 95352904 PZLDYGUSYJBBRU-UHFFFAOYSA-N 323.352 2.818 0 40 DFAB Cc1cncc(C(=O)NC[C@H](CO)Cc2ccc(Cl)cc2)c1 95407021 RFYGOQUODFXVRB-CQSZACIVSA-N 318.804 2.624 0 40 DFAB Cc1noc(C)c1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1 95409160 DLNDKQHMBXNQSC-UHFFFAOYSA-N 323.418 2.871 0 40 DFAB C[C@@H]1CCO[C@H]1C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 95427110 KJWIQHQURMVKFB-FHLIZLRMSA-N 310.397 2.845 0 40 DFAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc2ccccc2[nH]1 95435383 ORFXBZBVUNJTND-AWEZNQCLSA-N 306.369 2.572 0 40 DFAB Cc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)o1 95473188 SADWLZZHBLHONK-NSHDSACASA-N 317.345 2.553 0 40 DFAB CCCc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1 95970182 ZWYLSLIZMIGSGT-UHFFFAOYSA-N 319.401 2.735 0 40 DFAB CCn1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cn1 95988565 AOJFQLGWZIHXED-JKSUJKDBSA-N 307.344 2.801 0 40 DFAB COCCn1cc2c(n1)[C@H](NC(=O)C1CCCCC1)CCC2 96002898 RMONVEJCOPENSD-OAHLLOKOSA-N 305.422 2.603 0 40 DFAB CCc1nc(CCNC(=O)NCc2sc(C)nc2C)cs1 96439709 PQRBMDOIIMVBBP-UHFFFAOYSA-N 324.475 2.821 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)N[C@@H](C)CS(C)(=O)=O 96491621 PQEOORLGBPUYKD-KBPBESRZSA-N 305.443 2.794 0 40 DFAB C[C@@](Cc1ccccc1)(NC(=O)c1ccccc1F)C(=O)O 97018118 OPSQJMVOHGADJS-KRWDZBQOSA-N 301.317 2.642 0 40 DFAB O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCCC[C@H]1C(=O)O 97018359 HFCFUVMMBUAYDK-TZMCWYRMSA-N 311.328 2.657 0 40 DFAB Cc1oc(CNC(=O)c2cc(C)n(C3CC3)c2C)cc1C(=O)O 97018566 YVSBKDDNCHRYMU-UHFFFAOYSA-N 316.357 2.969 0 40 DFAB CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2cnn(C)c2C)CCO1 97048329 XPWLCCNEMCMPCF-JKSUJKDBSA-N 322.453 2.512 0 40 DFAB Cc1nn(C(C)(C)C)c(=O)n1Cc1csc(-c2ccoc2)n1 97050305 XZZZXYDDRVOLDL-UHFFFAOYSA-N 318.402 2.873 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(C)o2)cc1 97099041 ZOFZIMDWOHLCQP-ZDUSSCGKSA-N 307.415 2.848 0 40 DFAB Cc1cc([C@H](C)NCc2cc(=O)n3ccsc3n2)c(C)o1 97112026 XDMXGNGWFWPLMR-JTQLQIEISA-N 303.387 2.817 0 40 DFAB C[C@@](O)(CNC(=O)C[C@@H]1CCCCO1)c1ccccc1Cl 97143427 GGYLXSGAQCHJDF-BLLLJJGKSA-N 311.809 2.623 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1cnn(C)c1 97145739 ZQULBNQMLUEBPU-CYBMUJFWSA-N 314.389 2.670 0 40 DFAB O=C(CNCc1c[nH]nc1-c1cc2ccccc2o1)N1CCCC1 97159891 JVHXTLVRYBOGPO-UHFFFAOYSA-N 324.384 2.535 0 40 DFAB Cc1cccc(Cc2c(C)[nH]c3nc(C(F)(F)F)nn3c2=O)c1 100131668 GZTDLFCHXWMEBI-UHFFFAOYSA-N 322.290 2.644 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)n2cc(Br)cn2)C1 103514014 PAUMLANYQOQGAD-AXFHLTTASA-N 314.227 2.711 0 40 DFAB COc1cccc(OC)c1C(=O)NCCOc1cccc(C)c1 120339630 QCOYAOUNBVFCMS-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccncn1 194180313 HCUODUHAVCYVNE-UHFFFAOYSA-N 312.251 2.697 0 40 DFAB CCOc1ccc(C(N)=O)cc1COc1cccc(OC)c1 224583928 OUUQIJUWSIKYPU-UHFFFAOYSA-N 301.342 2.772 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225212646 SDHOONDZYMNTRW-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB O=C(NCc1ccncc1)c1snnc1-c1ccc(F)cc1 225777683 ARBXGKBUFBDPBV-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB CCCOC(C)(C)C(=O)Nc1cnc(OCCOCC)c(C)c1 225903244 GFJVLASPHQDQGU-UHFFFAOYSA-N 324.421 2.949 0 40 DFAB OC1CCN(Cc2ccc(CNc3ccc(F)cn3)cc2)CC1 252478163 AEYGRBPVHILZOR-UHFFFAOYSA-N 315.392 2.790 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](Cc2ccn[nH]2)C1 257249989 JKNWGEIZMPCHRT-CQSZACIVSA-N 322.412 2.915 0 40 DFAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2nccs2)C1 257304534 SMCIUEBFPGCDMS-CYBMUJFWSA-N 318.446 2.698 0 40 DFAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2C(C)=O)n1 257318300 VNGZFYNWZMBBDH-INIZCTEOSA-N 313.405 2.742 0 40 DFAB CCCO[C@H]1CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 257340869 ZHVQLNJLVCVLDZ-HNNXBMFYSA-N 315.417 2.603 0 40 DFAB CO[C@]1(C)C[C@H](N(C)C(=O)NCCc2ccc(O)cc2)C1(C)C 331418494 LEFCHIBICWCACU-MAUKXSAKSA-N 320.433 2.780 0 40 DFAB CC(C)n1ccc(NC(=O)NCC2(C)Cc3ccccc3C2)n1 333220062 DKSLCDYSSNQUMH-UHFFFAOYSA-N 312.417 3.391 0 40 DFAB COC(=O)c1cc(C(F)(F)F)n(Cc2ccc(F)cc2)n1 408717849 XTDVCOVFBYQCRU-UHFFFAOYSA-N 302.227 2.876 0 40 DFAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(C(=O)O)c1)C2 409198833 LPDPDIHQCVXHKW-UHFFFAOYSA-N 324.380 2.956 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)NCCN=S(C)(C)=O)oc12 521394328 VXTXFBXUPSMIFW-UHFFFAOYSA-N 322.430 2.815 0 40 DFAB C[C@H](N[C@H](C)C1CC(F)(F)C1)[C@H](O)c1ccc2c(c1)OCO2 529553945 KDXOBYIMYTZDPX-FTGAXOIBSA-N 313.344 2.861 0 40 DFAB Cc1ccccc1S(=O)(=O)N[C@@H](C)c1nc2c(s1)CCC2 579690048 CSZODAGBLOOBJF-NSHDSACASA-N 322.455 2.980 0 40 DFAB O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2noc(C3CC3)n2)C1 583615488 BYYLSIPMYIIIQI-RISCZKNCSA-N 321.327 2.533 0 40 DFAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2CC1(O)CCCCC1 585285476 YRELUOAXAAARDF-ROUUACIJSA-N 322.493 2.937 0 40 DFAB O=C(Nc1cccs1)N1CCC(Oc2nncs2)CC1 1565520063 FDQJKWJBRJBXSA-UHFFFAOYSA-N 310.404 2.675 0 40 DFAB COCCN1CCC[C@@]12CCCN(C(=O)c1cccs1)CC2 1565547946 YWZIVLHGZMUYDU-QGZVFWFLSA-N 322.474 2.855 0 40 DFAB Clc1cccc(N2CCN(c3nccn4nccc34)CC2)c1 1888906544 MOYDEXHOEWQSML-UHFFFAOYSA-N 313.792 2.709 0 40 DFAB COC(=O)/C=C(\Nc1cc(Cl)cc(Cl)c1)C(=O)OC 16972334 BIOBEAFZXLGZCM-POHAHGRESA-N 304.129 2.635 0 40 DFAB COc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 10762643 YGTAGYMJDXCSJN-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB CCN(CC)C[C@H](O)c1ccc(I)cc1 1671882 MRQJODUFTIDTGB-LBPRGKRZSA-N 319.186 2.666 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1 6995382 GVNVVFFPEYLLHO-VXGBXAGGSA-N 323.462 2.604 0 40 DFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1F)c1ccccn1 32405126 UENWTDKUEMBFDU-VIFPVBQESA-N 314.769 2.914 0 40 DFAB O=c1cc(CN(Cc2ccccc2F)C2CC2)nc2ccccn12 32759774 SDICREZGKKHKBD-UHFFFAOYSA-N 323.371 2.998 0 40 DFAB O=c1[nH]c2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 422990 JHLNMQUPZOZXOI-UHFFFAOYSA-N 312.394 2.678 0 40 DFAB CCCCOCCCNC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2 21900560 QBJXXCDXXWMUBY-ZDUSSCGKSA-N 321.417 2.955 0 40 DFAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1O 22199734 LMFAIPCTBZTBEO-UHFFFAOYSA-N 307.353 2.550 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 2736971 NWESEKPSEOOZNV-RYUDHWBXSA-N 319.357 2.693 0 40 DFAB CCN1CC[C@@H]2OCCC[C@@]2(COCc2cccc(C)n2)C1 107712369 UPWTYKSDFTWTMY-ROUUACIJSA-N 304.434 2.798 0 40 DFAB Cc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1C 58021774 PYLFBYCSJMMENF-UHFFFAOYSA-N 307.401 2.875 0 40 DFAB CCCNC(=O)c1cc(Br)c(OCC)c(OC)c1 28700475 IZGQNWGPOSQKHW-UHFFFAOYSA-N 316.195 2.996 0 40 DFAB CCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 101275066 IDQOGNILADSDJY-MRXNPFEDSA-N 310.353 2.829 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=O)C2CCOCC2)cc1 23271674 KOULWKFWWSAZAD-ZCXUNETKSA-N 316.426 2.760 0 40 DFAB Cc1cc(C)n(CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)n1 24891039 HIFGAXRSXDAXJX-UHFFFAOYSA-N 309.373 2.919 0 40 DFAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCO[C@H]2CCC[C@@H]21 56197656 PKDRVNUHADEPOH-GJZGRUSLSA-N 316.332 2.874 0 40 DFAB CC(=O)c1ccccc1OCCn1ncc2ccccc2c1=O 26396198 UTVIPMUCTUFZPP-UHFFFAOYSA-N 308.337 2.678 0 40 DFAB CCN(CC)c1ccc(NC(=O)CCc2cnn(C)c2)cc1 28243936 IJLIVJMSLCYRER-UHFFFAOYSA-N 300.406 2.838 0 40 DFAB COc1ccc(-n2cc(C(=O)N(C)Cc3ccccc3)nn2)cc1 57511605 FABUAZHKWAEXTR-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB COc1ccc(CC(=O)n2nc(N)c3ccccc32)cc1OC 57964021 YNBIKLHNJBORTL-UHFFFAOYSA-N 311.341 2.519 0 40 DFAB Cc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)o1 10141987 STOSMRYVJIKMNS-ZDUSSCGKSA-N 304.365 2.864 0 40 DFAB COc1ccc(OCCNC(=O)COc2ccccc2C)cc1 10291591 FLLSFSWEDAHLQU-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(C(N)=O)c1)C2 10277666 AQABXTVZCZWVTQ-HNNXBMFYSA-N 312.394 2.749 0 40 DFAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccco1 47715394 UKMVFSVAOGIGQD-UHFFFAOYSA-N 320.339 2.952 0 40 DFAB O=C(Cc1cccs1)NCc1cccc(N2CCOC2=O)c1 58215651 KEQMUGPJDIJMBU-UHFFFAOYSA-N 316.382 2.564 0 40 DFAB Cc1cc(CN(C)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)no1 44970390 JFPKUOSTUKZMDR-SWLSCSKDSA-N 309.410 2.720 0 40 DFAB CCN(CC(C)(C)O)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 81972999 UNQAUNZBBFPQED-KRWDZBQOSA-N 318.461 2.518 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC1CCCCCCC1 27774946 PFMNLEWZDXLFRF-UHFFFAOYSA-N 303.362 2.667 0 40 DFAB CCC(=O)Nc1nc(-c2ccc(CCNC(C)=O)s2)cs1 12614949 LYAQYSWOORTBSF-UHFFFAOYSA-N 323.443 2.899 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1cccc(Br)c1 3377387 VVQOOLSQPWRCDZ-SECBINFHSA-N 314.179 2.521 0 40 DFAB CC(=O)Nc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 12775625 SFHOGBWWKQKKFS-UHFFFAOYSA-N 304.296 2.853 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c(=O)[nH]1 75120708 MPUIZXVLXPVQOL-HNNXBMFYSA-N 300.333 2.800 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64334223 QYCDXMWYTPRMGO-RKDXNWHRSA-N 310.448 2.771 0 40 DFAB CC(C)Oc1cccc(CN2CCC[C@H]2Cn2cncn2)c1 69630485 WVPNGIPFYZAXLH-INIZCTEOSA-N 300.406 2.730 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 69630639 FGFPOBPPQGNHSL-UXIGCNINSA-N 318.808 2.780 0 40 DFAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)s1 5110822 VHKCUSBAKLWLDD-UHFFFAOYSA-N 318.350 2.867 0 40 DFAB CCCCN(C)CC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 69737632 RDWSKXWUDUPJHK-GOSISDBHSA-N 317.477 2.657 0 40 DFAB COc1ccc(CNC(=O)Nc2cccc3c2ccn3C)cn1 69896639 MTZLBETXSSTREM-UHFFFAOYSA-N 310.357 2.904 0 40 DFAB Cc1ccc2c(CC(=O)NOCc3ccccc3)cc(=O)oc2c1 65488276 XSZIWPJDIDSICZ-UHFFFAOYSA-N 323.348 2.892 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCCc1cc(Br)ccc1F 65566969 UFGGSXSLUTZHRJ-LDYMZIIASA-N 300.171 2.903 0 40 DFAB CC(C)OC[C@@H](O)CCc1n[nH]c(=S)n1-c1ccccc1 6533489 GYMWMMUOYVRTCG-ZDUSSCGKSA-N 307.419 2.648 0 40 DFAB CNc1nnc(SCC(=O)N[C@H](C)c2ccccc2)s1 7101530 CFSBRQMGORERJB-SECBINFHSA-N 308.432 2.549 0 40 DFAB O=C(CN1CCc2ccccc2C1)Nc1c(F)cccc1F 7782772 PEBNMBXBDKSRGW-UHFFFAOYSA-N 302.324 2.962 0 40 DFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2)cc1 8104432 SCLKMKWIZCQMNR-UHFFFAOYSA-N 305.355 2.505 0 40 DFAB c1ccc2c(c1)OC[C@@H](CNCc1nc3c(s1)CCC3)O2 93052842 RJMBCYZBSRUNIP-LLVKDONJSA-N 302.399 2.561 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccc(O)cc2oc1=O 408815967 RYZPKCMZAWHMMN-YGRLFVJLSA-N 301.342 2.807 0 40 DFAB COc1ccc(CN(CCO)Cc2ccccc2)c(OC)c1 19823472 QAHSHCTZTNELLT-UHFFFAOYSA-N 301.386 2.698 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)c1 71865774 VRXRIHYIMYWQFY-CYBMUJFWSA-N 306.797 2.868 0 40 DFAB CCN1CCC(N(C)C(=O)Cc2cn(C)c3ccccc23)CC1 71841804 UYTOJPINHLMKQY-UHFFFAOYSA-N 313.445 2.664 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 28244724 USQBDHBRKOSLJT-VIFPVBQESA-N 315.299 2.626 0 40 DFAB Cc1noc2ncc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc12 84067893 OOZZCJGBZHIXTR-MRXNPFEDSA-N 323.352 2.745 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1CCc2[nH]c3ccccc3c2C1 84008645 QIZRZZGVXMGUFK-UHFFFAOYSA-N 308.385 2.717 0 40 DFAB Cc1nc(S(=O)(=O)CCc2scnc2C)sc1C 84064546 CPQUGUBDWXKQGM-UHFFFAOYSA-N 302.446 2.541 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n[nH]1 84110566 TXRXRALHXRPPCN-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB Cc1cnn(C2CN(Cc3nc(-c4ccccc4C)no3)C2)c1 72253845 HYUBHMBSXDREEM-UHFFFAOYSA-N 309.373 2.607 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 28226007 QQSKNQLVCCMEEY-IRXDYDNUSA-N 307.397 2.534 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72298816 ZJAMLJVHROLHPO-OLZOCXBDSA-N 304.419 2.615 0 40 DFAB C[C@H](NC(=O)C1(C)CCOCC1)c1cccc(-n2cccn2)c1 76091630 XCDZSHUCGWTQGH-AWEZNQCLSA-N 313.401 2.866 0 40 DFAB CC(C)Oc1ccccc1CNC[C@](C)(O)C(=O)OC(C)(C)C 97143569 JXHRNGGXOUJUDC-SFHVURJKSA-N 323.433 2.656 0 40 DFAB CC(C)CN1C[C@H](C(=O)Oc2ccc3c(c2)CCC3)CC1=O 84544237 DEPRTHWQGBQTDR-OAHLLOKOSA-N 301.386 2.585 0 40 DFAB CC1CCN(S(=O)(=O)c2ccccc2-c2ccno2)CC1 95467491 FEESTJCZXBTGFQ-UHFFFAOYSA-N 306.387 2.762 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)NCc1ccccc1OC1CCC1 95411327 JQBRAQRHQREZCE-INIZCTEOSA-N 318.417 2.530 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1cnn(C)c1 78940328 DVNHXGYTPJQRIR-ZDUSSCGKSA-N 316.405 2.768 0 40 DFAB CCSc1cccc(C(=O)N2CCN([C@@H](C)COC)CC2)c1 95978721 UQGSVJGPHPHQJA-AWEZNQCLSA-N 322.474 2.591 0 40 DFAB O=C(Nc1cccnc1Cl)N1CCc2ccccc2[C@H]1CO 79075981 UTQSNVGBNQXINM-CQSZACIVSA-N 317.776 2.859 0 40 DFAB CCCCn1nc(-c2nc(CCc3ccccc3)no2)ccc1=O 74457188 NXUBKNOZKAVZTR-UHFFFAOYSA-N 324.384 2.879 0 40 DFAB O=C(CCn1cccc1)Nc1n[nH]c(-c2cc3ccccc3[nH]2)n1 524735142 YTOUUDDXHZMCKI-UHFFFAOYSA-N 320.356 2.783 0 40 DFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)NC1CCC1 78663585 XXJLIWPIZACDBV-LBPRGKRZSA-N 302.296 2.591 0 40 DFAB CCc1ccc([C@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218602148 BCRHMPAUVDFHRX-SQNIBIBYSA-N 315.438 2.764 0 40 DFAB Cc1cc(C)cc(C2=CCN(C(=O)Cc3cnn(C)c3)CC2)c1 180312837 KCHAVXXVDMCBOD-UHFFFAOYSA-N 309.413 2.895 0 40 DFAB COc1cccc(NC(=O)NCCCN2CCC[C@@H](C)C2)c1 43135595 HWCQDQGDHIUGDX-CQSZACIVSA-N 305.422 2.939 0 40 DFAB CSCc1cccc(CNC(=O)NCc2cccnc2)c1 187808629 HYIYRBLTCBSMOC-UHFFFAOYSA-N 301.415 2.944 0 40 DFAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C(C)C)C2)n1 72359965 ZNBGCCLNWJJRRE-CQSZACIVSA-N 312.421 2.906 0 40 DFAB O=C(O)c1cc2cc(CN3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc2o1 568290532 LQRIYUAZMYOKEC-OCVGTWLNSA-N 311.337 2.516 0 40 DFAB COc1ccc(OC)c(CC2=NN[C@@H]3CC(C)(C)CC(=O)[C@@H]23)c1 228930723 FLOUDHFIJVJUDB-PBHICJAKSA-N 316.401 2.579 0 40 DFAB CCOC(=O)CC(=O)Cc1ccc(F)cc1Br 199566972 CBERFHDJMULNNL-UHFFFAOYSA-N 303.127 2.653 0 40 DFAB Cc1cccc(CNC(=O)c2cn3c4c(cccc4c2=O)CC3)c1 225860599 QUNDEFBLTDUAMJ-UHFFFAOYSA-N 318.376 2.796 0 40 DFAB CCn1c(SC[C@@H]2COC(C)(C)O2)nnc1-c1ccco1 521393759 CJLLNEDAEPHCFF-JTQLQIEISA-N 309.391 2.802 0 40 DFAB COc1cccc(CNC2CCN(C(=O)c3ccco3)CC2)c1 42206483 RZJFJKIWVOZLOZ-UHFFFAOYSA-N 314.385 2.683 0 40 DFAB COc1ccc(CCNc2ccc(N)cc2C(=O)O)cc1OC 225323427 MQTJBJMUBIWJSD-UHFFFAOYSA-N 316.357 2.639 0 40 DFAB c1coc(CN2CCC[C@]3(COCCN(CC4CC4)C3)C2)c1 96049468 NEKVAWGOXXDFCX-SFHVURJKSA-N 304.434 2.604 0 40 DFAB COc1cccc2cc(C(=O)NC[C@]3(OC)CCSC3)oc12 96097613 FYXAQFGDAHPPDL-MRXNPFEDSA-N 321.398 2.693 0 40 DFAB O=C1[C@H]2CN(Cc3ccco3)C[C@H]2CN1Cc1cccc(F)c1 96053707 GYSCQJQSLDXMMJ-YOEHRIQHSA-N 314.360 2.509 0 40 DFAB Cc1cc(Cl)c(I)c(=O)n1C(C)C 96510317 PEXOVTNEGYLQDL-UHFFFAOYSA-N 311.550 2.996 0 40 DFAB OCCC1(NCc2cc(Cl)cc3cccnc23)CCOCC1 95418562 ADMKFKHYVZLOKK-UHFFFAOYSA-N 320.820 2.909 0 40 DFAB Cc1ccsc1C(=O)NCCc1cccc(C(=O)N(C)C)c1 96423167 XSWHBBJANRBOKZ-UHFFFAOYSA-N 316.426 2.731 0 40 DFAB O=C(OCCn1cncn1)[C@@H]1C[C@H]1c1cccc2ccccc12 96404840 RGTKRQSMIBXIOP-DLBZAZTESA-N 307.353 2.778 0 40 DFAB O=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)COC2=O 95478699 NSCPFDFEDRQNMA-UHFFFAOYSA-N 306.321 2.950 0 40 DFAB CCOCCCNC(=O)Nc1cccc(Br)c1 48285886 XDKFVDISEFMBRD-UHFFFAOYSA-N 301.184 2.997 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc[nH]2)cc1 583615997 ANJHQYVEZQKIDI-FUHWJXTLSA-N 314.385 2.536 0 40 DFAB O=C(NC[C@H](OCCO)c1cccs1)Nc1cccs1 575606646 OQASHGFKFVGFJG-JTQLQIEISA-N 312.416 2.681 0 40 DFAB COc1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)cc1 48779548 FMRVAVRNWWVRTK-UHFFFAOYSA-N 319.426 2.530 0 40 DFAB Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)oc2ccc(Cl)cc12 62117954 VZLMPJCKPLKFHB-SECBINFHSA-N 307.733 2.941 0 40 DFAB O=C(c1ccco1)N1CCN(CCSc2ccccc2)CC1 60739830 GGDKZCXVCHVGMW-UHFFFAOYSA-N 316.426 2.830 0 40 DFAB CCNC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 69351637 BSJBHYHPYHQXDW-UHFFFAOYSA-N 301.365 2.995 0 40 DFAB CN(CCc1ccccc1)C(=O)c1csc(-c2cnccn2)n1 69664211 YUASHFOINHNVCO-UHFFFAOYSA-N 324.409 2.915 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccnc(C)c1 74932221 CDJBROZEOBULQE-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB CCOC(=O)C[C@](C)(NC(=O)CSc1ccncc1)C(C)C 97097504 VXJVCYRWIKRISU-INIZCTEOSA-N 324.446 2.658 0 40 DFAB CC(C)CN1CCC(Oc2ncc(Br)cn2)CC1 1201477356 ZMLSTDYBVZOBDS-UHFFFAOYSA-N 314.227 2.738 0 40 DFAB CCCC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 17246210 WQRCCLCPOSLILO-UHFFFAOYSA-N 307.375 2.961 0 40 DFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4cnccn4)C3)ccc2O1 19497921 CJROIOWGTPZVNE-UKRRQHHQSA-N 323.396 2.820 0 40 DFAB O=C(CCc1cccc2ccccc12)N1CC[C@@H](n2ccnn2)C1 206928794 QOINXTPOVFPRDF-QGZVFWFLSA-N 320.396 2.838 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NCc1ccccc1 3237642 MFYJFEJFPCRCJQ-DHZHZOJOSA-N 313.328 2.699 0 40 DFAB Cc1nc2cc([C@@H]3CCCCN3C(=O)C3CC3)nn2c(O)c1C 12161443 XHIGODFMLWWXHY-AWEZNQCLSA-N 314.389 2.515 0 40 DFAB COc1ccc(CNC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1OC 18158753 ZNNXFAXFDPBFSV-MYMYQCDVSA-N 317.429 2.877 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O 4096636 QQIVKFZWLZJXJT-DNKQKWOHSA-N 304.430 2.850 0 40 DFAB endogenous,in-man CCc1ccc(S(=O)(=O)NCc2csc(C)n2)s1 4111245 OGMFGLAKQDUKOR-UHFFFAOYSA-N 302.446 2.554 0 40 DFAB c1coc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1 4511820 YKZDHLPJIKLMDU-UHFFFAOYSA-N 312.310 2.842 0 40 DFAB COc1cc(NC(=O)c2ccco2)c([C@@H](O)C2CC2)cc1OC 13957460 AXBCEFDBGRJNNJ-INIZCTEOSA-N 317.341 2.993 0 40 DFAB CC(C)N1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055729899 ZMIKPYZRUNNYFT-UWWQBHOKSA-N 317.433 2.688 0 40 DFAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCOc1ccccc1 23142288 SCPYMWCMHOVRIE-CYBMUJFWSA-N 303.333 2.788 0 40 DFAB C[C@](O)(CNC(=O)c1csc(-c2ccccc2)n1)C1CC1 206710156 FUPXMNPQCMFUBR-INIZCTEOSA-N 302.399 2.701 0 40 DFAB Brc1ccc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)nc1 2298042580 VESZCGDFKIAEBP-VXGBXAGGSA-N 322.250 2.765 0 40 DFAB COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 36383 XZZGLKHPXBYJCJ-UHFFFAOYSA-N 303.811 2.769 0 40 DFAB Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1CC(F)(F)F 7777460 IYDLPBJLEHNKDY-UHFFFAOYSA-N 303.280 2.803 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cs1 28655807 NOLBIZAKCBXTMX-NXEZZACHSA-N 305.403 2.696 0 40 DFAB CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 7506350 AJQHJRXVOLGYJT-NSHDSACASA-N 309.387 2.513 0 40 DFAB O=C(C1CC=CC1)N1CCC2(CCCN(CC3CC3)C2=O)CC1 108531480 QKVNXPVCYBHEED-UHFFFAOYSA-N 316.445 2.594 0 40 DFAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2C)c2ccccc21 100485381 ZPRYZBAIXRZUFX-SFHVURJKSA-N 324.380 2.598 0 40 DFAB O=C(COc1ccccc1C(F)(F)F)Nc1ncccc1O 28869083 VVNJIIQWTVYBSO-UHFFFAOYSA-N 312.247 2.824 0 40 DFAB CCc1nnc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)s1 21288312 XEZARLUDLYHOIF-UHFFFAOYSA-N 304.375 2.508 0 40 DFAB CCNS(=O)(=O)c1cc(Cl)c(C)cc1Br 54363091 YIDOLLZXKRSILF-UHFFFAOYSA-N 312.616 2.709 0 40 DFAB COc1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1 428503 HJZRKXSXRMNHLG-UHFFFAOYSA-N 315.373 2.737 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1 29298827 XAESEVHDUDMLKQ-GOSISDBHSA-N 323.396 2.695 0 40 DFAB C[C@@]12CC(=O)[C@@](C)(C1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 102998343 MDBKRUGEHSLJED-WRFANHODSA-N 317.772 2.835 0 40 DFAB COc1ccc(NC(=O)CSc2nncs2)cc1Cl 2641043 WWBBSDBTVRDISE-UHFFFAOYSA-N 315.807 2.931 0 40 DFAB CC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 2654881 HCQNMNZEZKOJIT-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB COc1cc(CC(=O)Nc2nc(C)cs2)cc(OC)c1OC 2622401 CDVDZNVUONFZES-UHFFFAOYSA-N 322.386 2.659 0 40 DFAB COc1cc2nc(C)cc(OCC(=O)OC(C)C)c2cc1OC 62718754 KBGKFHALROPQGT-UHFFFAOYSA-N 319.357 2.891 0 40 DFAB CCc1n[nH]c([C@H]2CN([C@H](C)c3ccccc3F)CCO2)n1 107323017 CRAGUMZLVORVDV-BXUZGUMPSA-N 304.369 2.641 0 40 DFAB COC(=O)C1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 35154247 TVNDMRGRAYDIDM-UHFFFAOYSA-N 317.719 2.643 0 40 DFAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC=CCC1 57313451 XTDFEKZBQKXVKH-MRXNPFEDSA-N 300.402 2.508 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)cc1F 3263742 ZBQIVHUHLHZQDS-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB CCCC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1 10010418 VFHQHWCVELNQFR-UHFFFAOYSA-N 323.824 2.747 0 40 DFAB COC[C@@H](C)NC(=O)c1ccc(OCc2csc(C)n2)cc1 27472062 ZYBOBRTZQKWLQW-LLVKDONJSA-N 320.414 2.795 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 10261845 LQXBYRRZUMKKBG-VIFPVBQESA-N 303.284 2.896 0 40 DFAB C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnccn1 58268406 YEUXPUUVINGFTK-JTQLQIEISA-N 320.190 2.600 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)c1 58304713 VGYOMTMUCZPPCC-SOLBZPMBSA-N 316.445 2.709 0 40 DFAB O=C(O)c1ccccc1SCc1cc(=O)n2ccccc2n1 12759097 OLOXJMURGDKCQC-UHFFFAOYSA-N 312.350 2.685 0 40 DFAB COCCNC(=O)COc1ccc(Nc2ccccc2)cc1 3413050 APXDXQYAJLYREW-UHFFFAOYSA-N 300.358 2.572 0 40 DFAB CS(=O)(=O)/N=C(\O)c1c(-n2cccc2)sc2c1CCCC2 48480049 LVWONGLBYALGQY-UHFFFAOYSA-N 324.427 2.682 0 40 DFAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)N1CCCCC1 12946952 ZQKXLYWWDBSAMT-MRXNPFEDSA-N 308.447 2.727 0 40 DFAB Cc1ccc(-n2c(SCCO)nc3ccccc3c2=O)cc1 7037910 ZBJOSSZBCDRRNT-UHFFFAOYSA-N 312.394 2.779 0 40 DFAB COc1cccc(-c2nsc(C(=O)NCC(C)C)c2N)c1 67334857 KNIVDYUFBIGXOY-UHFFFAOYSA-N 305.403 2.787 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2F)C1 67800988 YBITZJCEBLOMIR-LLVKDONJSA-N 308.353 2.565 0 40 DFAB CCNC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 14095766 GKOOBMTYQDIHCZ-UHFFFAOYSA-N 322.364 2.851 0 40 DFAB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)s1 5317878 DSNNTOXYUFXSRC-UHFFFAOYSA-N 304.367 2.897 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCc2ccccc21 65521470 UXDCFTSKUCZVBL-JLJPHGGASA-N 303.402 2.764 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)[C@H](C)c2cccs2)c(=O)[nH]1 65515397 PQCXBHVQESXLDZ-GFCCVEGCSA-N 319.430 2.956 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCn1ccnc1 65604664 INAYLDOXRGCCIH-UHFFFAOYSA-N 312.398 2.745 0 40 DFAB CCOC(=O)N[C@@H](C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)C(C)C 65924829 ABNJULUUNCHXRV-AKZYDZMLSA-N 322.449 2.794 0 40 DFAB c1coc(Cn2cnnc2SCc2cn3ccccc3n2)c1 69445492 SYMUGNNDZSSJIZ-UHFFFAOYSA-N 311.370 2.859 0 40 DFAB CCCC(=O)NCCc1ccc(I)s1 69463420 CKJAAFCKQJXRQT-UHFFFAOYSA-N 323.199 2.812 0 40 DFAB O=C(O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 96480475 UDFYSCVLZIFRAM-HOTGVXAUSA-N 313.328 2.944 0 40 DFAB CCOC(=O)N1CCC(N[C@@H](c2nccs2)C2CC2)CC1 96494304 RXSUVMIOIFRREL-CYBMUJFWSA-N 309.435 2.805 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C[C@H](C(N)=O)CC[C@@H]1C 69657089 YUNFVKFIAZWSES-SWLSCSKDSA-N 313.401 2.736 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cc(F)ccc2F)CC1 69773201 ZYYGGJRTTGMPCQ-UHFFFAOYSA-N 320.343 2.596 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2C)C1 8778748 QMCJNXSIHREZCG-GFCCVEGCSA-N 303.431 2.924 0 40 DFAB COc1ccccc1/C=C/CN[C@H]1CCCN(c2cccnn2)C1 71877207 PKKRNBTUKSDANQ-AUNFYEFLSA-N 324.428 2.757 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)c1cc(Cl)nc(N(C)C)c1 75137972 BDXKHOJJGWGUHG-NSHDSACASA-N 318.808 2.820 0 40 DFAB COC(=O)CCN(CC(=O)Nc1cc(C)ccc1C)C(C)C 71904922 NKSDWZXAFLFNTN-UHFFFAOYSA-N 306.406 2.515 0 40 DFAB Cc1ccc([C@@H](O)CN[C@H]2CCN(CCc3ccccc3)C2)cc1 89629833 HYRYGUPLYIWXBD-SFTDATJTSA-N 324.468 2.935 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc(C)c3C)C2)n1 72235174 QJOQHHQRHJJKMO-INIZCTEOSA-N 312.417 2.989 0 40 DFAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1csnc1C 97080481 SRTWIDWKJXAADN-LBPRGKRZSA-N 318.398 2.655 0 40 DFAB NC(=O)CC[C@@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)C1 97084344 PUDOQYPDCGRPNR-LBPRGKRZSA-N 322.836 2.752 0 40 DFAB Cc1ncc(C(=O)N2CC[C@@H](CN(C)C)C2)c(Cl)c1Cl 97080688 VZPQQXBITWVQNJ-JTQLQIEISA-N 316.232 2.721 0 40 DFAB Cc1ncn(C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(=O)c1C 97082285 RWGRDMMZWIEUCW-CYBMUJFWSA-N 312.291 2.613 0 40 DFAB COc1ccc([C@H](C)NC(=O)N2CCO[C@H](C)[C@@H]2C)cc1F 89919905 XHSCFXCTHHFJIE-SDDRHHMPSA-N 310.369 2.714 0 40 DFAB Cc1cc2cc(NC(=O)NCCC3(C)OCCO3)ccc2[nH]1 97135423 DVNNUBHPULCPFD-UHFFFAOYSA-N 303.362 2.751 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCN1C(=O)/C=C/c1ccccc1 97134300 VTNZLEHOXJRRIV-FMQWLBJXSA-N 306.365 2.939 0 40 DFAB CC(C)Sc1ccc(N2CCC[C@H](N3CCCC3=O)C2)nn1 75611286 VKGPLEUFNWPKBX-ZDUSSCGKSA-N 320.462 2.568 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 76041101 ORYWZOBBINBCJN-DOTOQJQBSA-N 300.402 2.727 0 40 DFAB CC(C)CCS(=O)(=O)[C@H](C)c1cn(-c2ccccc2)nn1 84510771 IJTRBIPQNDOQLE-CYBMUJFWSA-N 307.419 2.789 0 40 DFAB O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1nccc2ccccc12 84598735 YOOMFCGZELEREB-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB CC(C)S(=O)(=O)N(C)C(=O)[C@H](C)c1ccc(Cl)s1 84622339 NOZGCILGMGITEE-MRVPVSSYSA-N 309.840 2.702 0 40 DFAB C[C@H](C(=O)Nc1ccc(F)cc1)n1cc(Br)cn1 28223969 AJVKGJQOPHORNW-MRVPVSSYSA-N 312.142 2.984 0 40 DFAB CN1CCCC[C@H]1CCOC(=O)c1ccc(-n2cccn2)cc1 78253992 XBFBTBILPWLAJW-INIZCTEOSA-N 313.401 2.904 0 40 DFAB CCCN(CCC)C(=O)CN1CCC[C@H](N2CCCCCC2)C1 78565119 WQTIXVNYENUGQR-SFHVURJKSA-N 323.525 2.975 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CN(C)C(C)C)cc1 98014079 JJLPXUDJAHWSGJ-IEBWSBKVSA-N 318.461 2.919 0 40 DFAB O=C(Nc1cccnn1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 95989108 ZSQPXUJHQBWGAG-GFCCVEGCSA-N 317.780 2.530 0 40 DFAB CCn1ccc2ccc(NC(=O)c3c(C)c(C)nn(C)c3=O)cc21 74807486 UJVVCSUGJCKBHN-UHFFFAOYSA-N 324.384 2.624 0 40 DFAB COC(=O)C1(N(C)Cc2nnc(-c3cccs3)o2)CCCC1 89364926 MKIFJAXPRFEZSV-UHFFFAOYSA-N 321.402 2.716 0 40 DFAB NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408695670 RZSSJVRGNOMKSR-UHFFFAOYSA-N 316.723 2.826 0 40 DFAB O=C(C[C@@H](C(=O)O)N1CCCC1)Nc1cccc2ccccc12 65090408 OVZNVEJFHYAKQP-INIZCTEOSA-N 312.369 2.717 0 40 DFAB Fc1cc(I)c(Br)cn1 306823842 RTPRLQIYHGUXRI-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB O=C(O)c1ccc(OC(F)F)c(I)c1 39951759 RQJBTOZFVXVMHZ-UHFFFAOYSA-N 314.025 2.591 0 40 DFAB O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCC(c2cn[nH]c2)CC1 1527731003 KKDVRRRFDFFWCD-UHFFFAOYSA-N 321.384 2.820 0 40 DFAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccncn2)no1 548308856 QMXJHSIAKAVPCW-CYBMUJFWSA-N 315.377 2.741 0 40 DFAB Cc1ccc(NC(=O)N2CC[C@H](O)C2)c(OCC(F)(F)F)c1 76070176 YYQMAUWNMIRYQQ-JTQLQIEISA-N 318.295 2.535 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 90611982 LGRALTCDMJMTDS-MRXNPFEDSA-N 317.364 2.747 0 40 DFAB CCc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218519154 TWJKISVPJIDOMZ-YESZJQIVSA-N 301.411 2.516 0 40 DFAB O=C(CCc1ccccc1F)NC[C@@]1(O)CCCc2occc21 1565523120 YSMMOEPMPJLDTG-SFHVURJKSA-N 317.360 2.692 0 40 DFAB COc1ccc(C(=O)Oc2ccc3nccnc3c2)cc1OC 89864653 CKBOGBPHKNCPCR-UHFFFAOYSA-N 310.309 2.866 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1 226265356 LVHDXZMJRXPBBX-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 222897881 MNSCDBBMWVDKOB-HUUCEWRRSA-N 300.431 2.803 0 40 DFAB CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C(=O)OC 225811684 AQPYMLHJGJGPRA-QGZVFWFLSA-N 321.373 2.626 0 40 DFAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(=O)O)o1 195551721 JBQDGORPROTRLX-QMMMGPOBSA-N 309.268 2.617 0 40 DFAB c1ccc(CCN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cc1 96220791 UECCNYOZUXRVLD-LJQANCHMSA-N 314.473 2.948 0 40 DFAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccco1 96109732 ZSSOGKJQWMQXMQ-CYBMUJFWSA-N 301.390 2.980 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3ccccc3)CC(=O)N2C)cc1 96181384 AZGQSTHAMWMAOX-HKUYNNGSSA-N 322.408 2.831 0 40 DFAB Cc1cccc(CC(=O)NCCc2cccc(C(=O)N(C)C)c2)c1 96423170 DRZXNYBRPHQVGZ-UHFFFAOYSA-N 324.424 2.598 0 40 DFAB Cc1cc(C)nc(SCC(=O)Nc2cccc3[nH]cnc23)n1 96411796 HDUFGPXVXLVQJG-UHFFFAOYSA-N 313.386 2.701 0 40 DFAB Clc1cnc(NCc2ccccc2N2CCOCC2)nc1 96449393 MIHQSHGPXRCMIB-UHFFFAOYSA-N 304.781 2.579 0 40 DFAB Cc1noc(C)c1CN1CCC(NC(=O)CCC(C)C)CC1 98211949 DZCQYLRNIWUBCJ-UHFFFAOYSA-N 307.438 2.808 0 40 DFAB Cc1ccc(CNC(=O)c2cncc([C@@H]3CCCN(C)C3)n2)cc1 257271358 MXYRYANVRWZUSN-MRXNPFEDSA-N 324.428 2.524 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)c1C 256048198 RHVPJPKLNXAJQK-UHFFFAOYSA-N 300.362 2.573 0 40 DFAB CC(C)n1nccc1C(=O)N1CCC[C@]2(C)NCCCC[C@H]12 257202730 ANCFJUXCYVASBG-RDJZCZTQSA-N 304.438 2.601 0 40 DFAB COc1ncccc1C(=O)Nc1ccccc1Cc1nc(C)no1 96097032 LLYYDAIANNYNNE-UHFFFAOYSA-N 324.340 2.625 0 40 DFAB O=C(OCC(=O)N1CCCCCC1)c1ccc2c(c1)CCC2 57947618 JGDBZKHXVURUIX-UHFFFAOYSA-N 301.386 2.735 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2Cl)C1 62912762 NCPUEJZPQSYWSQ-CYBMUJFWSA-N 302.157 2.930 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)cc1 57019647 FWXUPXYPPMYJJE-KRWDZBQOSA-N 317.410 2.969 0 40 DFAB c1nc(OCC2CCN(Cc3cocn3)CC2)cc(C2CC2)n1 1565522528 SLRRIJQNKCTPEV-UHFFFAOYSA-N 314.389 2.633 0 40 DFAB C[C@H](CS(C)(=O)=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 95985012 YUFGCFYAJWMEHO-OIISXLGYSA-N 309.475 2.811 0 40 DFAB CN(Cc1cc(Cl)cc2c1OCC2)C1CCS(=O)CC1 96008815 PTXMKZSAQBXOKO-UHFFFAOYSA-N 313.850 2.618 0 40 DFAB C[C@H](NC(=O)CSc1ncn[nH]1)C12CC3CC(CC(C3)C1)C2 5736881 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Clc1cc2c(c(CN3CCC(n4cncn4)CC3)c1)OCC2 96008782 MRQKUIAXYHFPOW-UHFFFAOYSA-N 318.808 2.704 0 40 DFAB COc1ccc([C@H](O)CN[C@@H](C)c2cc(O)ccc2OC)cc1 96006894 QBYQBODZMRPFGN-YVEFUNNKSA-N 317.385 2.794 0 40 DFAB Cc1cnn(CC2CCN(C[C@@H](O)c3ccccc3F)CC2)c1 71876487 JHXLAICZYUBCKG-GOSISDBHSA-N 317.408 2.776 0 40 DFAB CO[C@@H](C(=O)NCc1cn2cccc(C)c2n1)c1ccccc1 71896314 FCOVMQYGQYSFQG-MRXNPFEDSA-N 309.369 2.647 0 40 DFAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1 89818535 NFNZIVNXPIBHCS-MRXNPFEDSA-N 318.461 2.818 0 40 DFAB O=C(COCC1CC1)N1CCc2c(Br)cccc2C1 72278810 TXUZFCCXLFDZBG-UHFFFAOYSA-N 324.218 2.760 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 72235237 WMBHYDHGGPEGJR-HNNXBMFYSA-N 318.446 2.753 0 40 DFAB COc1ccc2nc(NC(=O)c3nnsc3C)sc2c1 72239935 CHQQBNPZHQMQLV-UHFFFAOYSA-N 306.372 2.717 0 40 DFAB O=c1cnc2cc(F)c(F)cc2n1CCCOCC(F)(F)F 72292634 FZPOLRBCUQPIGE-UHFFFAOYSA-N 322.233 2.644 0 40 DFAB NC(=O)c1csc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)c1 72293697 AYLOVFBWKAQALV-RYUDHWBXSA-N 320.801 2.786 0 40 DFAB Cc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)nc1 97015915 BVALXLCUPWYJFT-HNNXBMFYSA-N 310.319 2.930 0 40 DFAB O=C(NCc1ccnc(OCC2CC2)c1)c1ccc(O)cc1F 97046574 BOXKBVKWPYICMV-UHFFFAOYSA-N 316.332 2.645 0 40 DFAB Cc1nc(C[S@](=O)Cc2cccc3c2OCCO3)oc1C 97083620 UWTRDZLBRYFNEF-NRFANRHFSA-N 307.371 2.512 0 40 DFAB O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccon1 97036048 NVYMXHXFEOIBFL-OAHLLOKOSA-N 324.336 2.501 0 40 DFAB Cc1ccccc1OCCCN[C@H]1CCCCC[C@@H]1C(N)=O 97165635 FXSMIHWXVIGVIM-HOTGVXAUSA-N 304.434 2.788 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCc1nncn1-c1ccccc1 97159148 DRQSVDVFUCSJBZ-UHFFFAOYSA-N 310.405 2.578 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)c1 72331135 LRVBPLFSHCZZPO-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2N1Cc1coc(-c2ccccc2)n1 72584338 YGHAQSYFSFOKDK-KRWDZBQOSA-N 319.364 2.758 0 40 DFAB COC(=O)CN(C(=O)[C@H](C)SCc1ccccc1)C(C)C 97404111 BUMDKGGLPPGLIY-ZDUSSCGKSA-N 309.431 2.718 0 40 DFAB COCc1csc(NC(=O)N2CCc3ccccc3C2)n1 76082105 FOXQVEWWHVQXLK-UHFFFAOYSA-N 303.387 2.880 0 40 DFAB C[C@H](NC(=O)[C@@H](C)n1cncn1)c1csc2ccccc12 95381549 NKCMGXNHWOJBFR-WDEREUQCSA-N 300.387 2.931 0 40 DFAB Cc1cc(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)n(C)n1 95393310 PESGMBFDTOXHTP-UHFFFAOYSA-N 314.389 2.878 0 40 DFAB COC1(C)CN(C(=O)Nc2ccc(N3CCCCC3)cc2)C1 95460814 SAIGLMMHEUPJFC-UHFFFAOYSA-N 303.406 2.930 0 40 DFAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cn1 95406890 JWPIZTHOJZWKDF-UHFFFAOYSA-N 323.327 2.742 0 40 DFAB C/C=C/C[S@](=O)CC(=O)N1CCC[C@H]1c1cccc(OC)c1 95417650 WNCXFINUHQMGKP-LINQRHESSA-N 321.442 2.684 0 40 DFAB C[C@H](CS(=O)(=O)N1CCS[C@H](C)[C@@H]1C)c1ccccc1 95971371 OQQTVWWRRZGPJY-HZSPNIEDSA-N 313.488 2.946 0 40 DFAB COc1ccc(OC)c(NC(=O)C[C@@H](C)[C@H]2CCCNC2)c1 95967039 HUGUXFPHWQFYQV-OLZOCXBDSA-N 306.406 2.668 0 40 DFAB O=C(C[S@@](=O)c1cccs1)Nc1ccc(F)cc1F 95971738 NBAIJVBXHKFUMS-IBGZPJMESA-N 301.339 2.773 0 40 DFAB FC(F)(F)c1cc([C@@H]2CCCN(C[C@@H]3CCOC3)C2)n[nH]1 78900963 LUEVLPFBXRFDMK-WDEREUQCSA-N 303.328 2.644 0 40 DFAB Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1S(C)(=O)=O 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CCCNC(=O)c1cccc(C(=O)NCc2ccoc2C)c1 78113167 JDLNMTRBFWOEGD-UHFFFAOYSA-N 300.358 2.658 0 40 DFAB COc1cccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 41288608 JNONEJLZVJWCNQ-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB COC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 42205993 AEEHPLQMKPWLTR-UHFFFAOYSA-N 312.207 2.834 0 40 DFAB Cn1c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc2ccccc21 44300425 CAKFALZXKYVBNH-CYBMUJFWSA-N 318.373 2.699 0 40 DFAB COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)c1 225479865 RONQPPMZVHYZCI-RDJZCZTQSA-N 324.380 2.669 0 40 DFAB biogenic,in-vitro COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 223269895 BPZYLKGSUYHWFK-UMVBOHGHSA-N 309.431 2.779 0 40 DFAB COc1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ncn1 225183873 PMFSBOJKWQXORU-SECBINFHSA-N 306.366 2.672 0 40 DFAB c1cc(CN2CC[C@@]3(C[C@@H](N4CCCC4)CCO3)C2)cs1 96217204 XWYAQYSNFXUOLD-DLBZAZTESA-N 306.475 2.967 0 40 DFAB O[C@@H](c1ccccc1)c1nccn1C[C@H](O)c1ccc(F)cc1 97375823 NHEFFSFDJMTVOQ-IRXDYDNUSA-N 312.344 2.838 0 40 DFAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccncc1F 96420707 QCRQWRVYNUQSRY-UHFFFAOYSA-N 312.348 2.802 0 40 DFAB c1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)nc1 96057005 OUSDVTDCLSEYJO-RTBURBONSA-N 316.445 2.879 0 40 DFAB CC(C)c1ccc(/C=C/CC(=O)N[C@H]2CCC[C@H]2C(N)=O)cc1 95450500 AJEAYCXTTYARFZ-VDLFBQIGSA-N 314.429 2.984 0 40 DFAB Cc1nn(C)c2sc(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc12 245344153 XWCHMDVLSKEDAX-OASPWFOLSA-N 320.414 2.914 0 40 DFAB C1=C(CN2CCO[C@H](c3ccccn3)C2)COc2ccccc21 257333235 YATYFECZWPQWPK-IBGZPJMESA-N 308.381 2.931 0 40 DFAB C[C@]12CCCN(C(=O)c3ccc4ccccc4n3)[C@@H]1CCCN2 257217202 CXZOMVBJSWMMBD-MJGOQNOKSA-N 309.413 2.982 0 40 DFAB CCCn1nccc1-c1cc(C[C@H]2CCN(C(C)=O)C2)ccn1 257305749 SRILGVDXLRWOLT-MRXNPFEDSA-N 312.417 2.766 0 40 DFAB Nc1nc2nc([C@@H]3CCCNC3)cc(C(F)(F)F)c2s1 257207246 BGZKXOKFYOQCES-ZCFIWIBFSA-N 302.325 2.759 0 40 DFAB Cc1cc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)no1 44783587 RMHLKQFSMFPFNE-HNNXBMFYSA-N 324.377 2.789 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-n2cncn2)cc1 57662382 JUBLPRSWEDFEAK-CYBMUJFWSA-N 304.353 2.859 0 40 DFAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3CC3(C)C)CC2)c1C 1565522434 PUWDWBRMVIZRSG-OAHLLOKOSA-N 317.433 2.757 0 40 DFAB CCn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2ccccc2)C1=O 76047098 FXUAGDZVJKYNBZ-IAGOWNOFSA-N 324.428 2.676 0 40 DFAB COCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160494 RSFKWKAQFVYTGZ-CJNGLKHVSA-N 320.408 2.678 0 40 DFAB Cc1cnn(CC(=O)NCC2(c3ccccc3F)CCCC2)c1 19239943 WXEILOVJKMXHSI-UHFFFAOYSA-N 315.392 2.959 0 40 DFAB CC1CCN(C2CCN(C[C@H](O)c3cccs3)CC2)CC1 19496846 ZWBLXKQDBBXOLU-INIZCTEOSA-N 308.491 2.978 0 40 DFAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101842006 ROKAYVIDCVEIDW-FJIDUMEYSA-N 324.424 2.506 0 40 DFAB Cc1csc(C(=O)NCc2nc(C3CCSCC3)no2)c1 575609225 ZFLGPANVXXAYNX-UHFFFAOYSA-N 323.443 2.980 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(Cc3coc(C)n3)C2)n1 1848726512 KMSYFKRFZJMYAJ-OAHLLOKOSA-N 301.390 2.977 0 40 DFAB COc1c(Br)cc(CC(=O)O)cc1Br 28827245 PXJNCNLURDNKJO-UHFFFAOYSA-N 323.968 2.847 0 40 DFAB COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC 523285 URZWPVBVDZECQP-UHFFFAOYSA-N 321.402 2.794 0 40 DFAB CCc1ccc([C@H]2c3c(n[nH]c3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 6659519 AURQONAMLKFZDJ-IPMKNSEASA-N 312.413 2.925 0 40 DFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)/C=C/c1ccccc1)C3 206951578 XKVNOMPRBJJVSU-BQYQJAHWSA-N 318.380 2.636 0 40 DFAB Cc1ccc(C[C@@H]2C(=O)N(c3nccs3)C(=O)[C@@H]2C)cc1 107184063 PWKSPBUHYNPBHR-YPMHNXCESA-N 300.383 2.820 0 40 DFAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(C(N)=O)c1 36391531 RQAFYQWAEKPNKD-NSHDSACASA-N 316.788 2.800 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 16499659 ZUULDQLZUJWKDC-CQSZACIVSA-N 324.384 2.964 0 40 DFAB COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1F 8077660 SRUOCPYROXQNGF-UHFFFAOYSA-N 305.324 2.875 0 40 DFAB COC(=O)Nc1cn2cc(C(=O)c3cccs3)ccc2n1 1570374 KQRPCYRBISRWOU-UHFFFAOYSA-N 301.327 2.805 0 40 DFAB N[C@@H](CCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608378 JITNRAXEOGIKMS-ROUUACIJSA-N 324.424 2.967 0 40 DFAB O=C(O)CSCC(=O)Nc1ccc2cccc3c2c1CC3 1648047 IFCZOPLMDAGMMV-UHFFFAOYSA-N 301.367 2.695 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ncnc2sccc12 2618709 AXBQLPDOPHSERH-ZYHUDNBSSA-N 305.403 2.765 0 40 DFAB CC(=O)Nc1cccc(OCC(=O)N(C)C2CCCCC2)c1 2633597 ZFDDOANYJKTIBO-UHFFFAOYSA-N 304.390 2.815 0 40 DFAB COc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1 3151460 GNTLAXPJWXIVRN-UHFFFAOYSA-N 305.426 2.641 0 40 DFAB CC(C)(C)c1ccccc1OCC(=O)N1CCC(C(=O)O)CC1 8026846 SXOLRGOUGCGOGM-UHFFFAOYSA-N 319.401 2.686 0 40 DFAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccc2[nH]cnc2c1 51411746 FCNIKNNQQASQEJ-UHFFFAOYSA-N 317.352 2.883 0 40 DFAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(C)=O 6857009 AWVNIIHFEJWTMZ-UHFFFAOYSA-N 311.135 2.675 0 40 DFAB O[C@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 20828004 AMSLSGRRPQDLLZ-QZTJIDSGSA-N 301.361 2.933 0 40 DFAB COC(=O)C[C@@H](NC(=O)Cc1cccs1)c1ccccc1 45536986 SQMKKYQPNVSEHG-CQSZACIVSA-N 303.383 2.711 0 40 DFAB CCCCNC(=O)C1CCN(c2ncnc3ccsc23)CC1 29588900 LGTYBLZZDPBJBF-UHFFFAOYSA-N 318.446 2.824 0 40 DFAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCCC1 59843305 UHOMDQABGDGELQ-UHFFFAOYSA-N 304.781 2.855 0 40 DFAB CCOCc1cc(C(=O)Nc2c(C)nn(C)c2C)ccc1OC 22838155 GSCSQRHVQCNBEC-UHFFFAOYSA-N 317.389 2.834 0 40 DFAB C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1 8217023 IAFSOXILVJRQPI-LBPRGKRZSA-N 321.332 2.956 0 40 DFAB O=C(COc1cccc2c1CCC2=O)NCc1ccccc1F 24037220 MSJDFISJTUIZHE-UHFFFAOYSA-N 313.328 2.650 0 40 DFAB Nc1nc(Cl)cc(N2CCC([C@H](O)c3ccccc3)CC2)n1 24056930 WQIJQHLRQSRTFB-OAHLLOKOSA-N 318.808 2.662 0 40 DFAB COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106031333 QNWWEMHIGRNMJV-HRCADAONSA-N 314.429 2.780 0 40 DFAB Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)n1C 24750215 QZVUELTYSIFOCX-UHFFFAOYSA-N 308.385 2.508 0 40 DFAB Cc1nc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc1C 25045465 JCUYGWHCOJLBND-LLVKDONJSA-N 319.361 2.964 0 40 DFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccc1 35170088 OJUKXTAKMMODJD-KRWDZBQOSA-N 323.352 2.861 0 40 DFAB Cc1nc(N2CCC[C@@H]2C(=O)O)c2c3c(sc2n1)CCCC3 57630952 XIQPHNSQXKNNBW-LLVKDONJSA-N 317.414 2.932 0 40 DFAB CC[C@@H](C)n1c(SCCC(N)=O)nnc1-c1ccccc1 58191985 ILEDSHILQNDTMU-LLVKDONJSA-N 304.419 2.884 0 40 DFAB O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1 58180398 YYAQHNVPJOYXHU-UHFFFAOYSA-N 314.370 2.584 0 40 DFAB O=C(NCc1ccoc1)c1ccc(CN2CCSCC2)cc1 58229832 JLUAICMLEZOXBY-UHFFFAOYSA-N 316.426 2.758 0 40 DFAB CC(C)C(=O)N1[C@H]2CC[C@H]1[C@]1(CCN(c3ccsc3)C1=O)C2 306140169 UMEIQWSRJILQQI-JDFRZJQESA-N 318.442 2.891 0 40 DFAB O=C(CCc1ccccc1O)NCCc1cc(F)cc(F)c1 58295268 MFLVIAXZAZNICH-UHFFFAOYSA-N 305.324 2.962 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 58210782 GDCRVQMELUDJHM-ZDUSSCGKSA-N 315.398 2.695 0 40 DFAB NC(=O)C1CCN(Cc2ccc(SC(F)F)cc2)CC1 58306736 AQTDWNGRVGLWMA-UHFFFAOYSA-N 300.374 2.699 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2ncnc3ccccc23)C1 3269226 TWOSNRUCBZFASL-LBPRGKRZSA-N 301.415 2.980 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2cn(C)nc2-c2cccnc2)c1 69489433 WXAZZVZGGQZHEW-GJZGRUSLSA-N 324.432 2.726 0 40 DFAB CC(C)CO[C@@H](C)C(=O)NCc1ccccc1Cn1ccnc1 48368731 XGBBYYHKBCRQFK-HNNXBMFYSA-N 315.417 2.609 0 40 DFAB COc1ccc([C@@H](NC(=O)CN2CCCCC2)C(C)C)cc1 12877023 UPQSXRGLWVQPNP-SFHVURJKSA-N 304.434 2.994 0 40 DFAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 113954832 ZRTQCLPFYKMEJO-HNNXBMFYSA-N 304.434 2.590 0 40 DFAB COc1ccccc1OCCC(=O)NCCOc1ccccc1 12849483 GQTKPYLKRJXTED-UHFFFAOYSA-N 315.369 2.659 0 40 DFAB COC(=O)c1ccc(COC(=O)c2ccc3ccccc3n2)o1 3513687 OKPMRHXAPIWZOL-UHFFFAOYSA-N 311.293 2.971 0 40 DFAB CO[C@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 69535710 IZOMCYSTLVNHFT-IRXDYDNUSA-N 313.401 2.743 0 40 DFAB CN(CCNC(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C 69517386 KFFDSLMWANZDHE-UHFFFAOYSA-N 314.332 2.562 0 40 DFAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1c(C)noc1C 63199031 VCLATANLIZNWQR-UHFFFAOYSA-N 314.794 2.732 0 40 DFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccccc1F 6059338 GHLFWFQTNVIURR-UHFFFAOYSA-N 314.268 2.995 0 40 DFAB Cc1cc(C)n2c(CN3CCC[C@H]3c3cnn(C)c3C)cnc2n1 91967373 OWZZJPBSVADTSE-KRWDZBQOSA-N 324.432 2.725 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cn3ccccc3n2)c1 6153966 WSNBYWPAJBHPHF-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB NC(=O)[C@H](OC(=O)CCc1ccccc1)c1ccc(F)cc1 14075259 RFBZPWRUAIFWLE-MRXNPFEDSA-N 301.317 2.528 0 40 DFAB CCOc1ccccc1C(=O)OCc1csc(NC(C)=O)n1 14014591 ULPHDJUFGJPQTP-UHFFFAOYSA-N 320.370 2.857 0 40 DFAB CC(C)c1ccc(-n2nnnc2S[C@@H]2C[C@@H](C)OC2=O)cc1 25548552 MVXDPQMHFPQDQG-ZWNOBZJWSA-N 318.402 2.582 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)N1CCCc2ccccc21 6509905 JIIBQNASJZQYRL-UHFFFAOYSA-N 308.337 2.574 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 6656860 GNHOLCHVAQCHPB-CYBMUJFWSA-N 320.389 2.892 0 40 DFAB O=S(=O)(NCc1cccnc1)c1cccc(Cl)c1Cl 6623565 ICCIJKSBBZDVHC-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB Cc1cc(C(=O)NCCc2cccs2)c2c(C)nn(C)c2n1 14898482 WIXNOWPDDRTBJS-UHFFFAOYSA-N 314.414 2.619 0 40 DFAB Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)[nH]n1 66685786 OVFLUDJDFOHVMI-AWEZNQCLSA-N 323.755 2.724 0 40 DFAB CCC1(CNC(=O)c2ccc(OC)c(Br)n2)CC1 96005785 CNNMRIYULSEDHQ-UHFFFAOYSA-N 313.195 2.773 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1c(C)cccc1C 19736146 QEZLCBHVLWBIIG-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB in-vitro Cc1noc(N)c1C(=O)OCc1ccccc1Br 9314079 MRPMIMGDUIXHSF-UHFFFAOYSA-N 311.135 2.685 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1 71865748 DZXLWNZYYVTSEX-HNNXBMFYSA-N 323.400 2.534 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 71842139 ISNCRKZJXFRWCS-OCCSQVGLSA-N 309.431 2.789 0 40 DFAB COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 83884485 BZMBGQLXJFWBCU-HIFRSBDPSA-N 300.358 2.630 0 40 DFAB CC(C)OCCC(=O)NC1CCN(c2cccc(F)c2)CC1 71915279 QIFLOTNQISWTLW-UHFFFAOYSA-N 308.397 2.726 0 40 DFAB CCCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124224 BARAQHSUKAWZOL-MRVPVSSYSA-N 306.284 2.537 0 40 DFAB O=C(NCCCNC(=O)c1cccs1)Nc1cccc(F)c1 75126294 MTDHROFOTGDVHL-UHFFFAOYSA-N 321.377 2.829 0 40 DFAB Cc1cccc(C)c1/N=c1\scc(C)n1N1CCOCC1 9707467 YFQURRZXKOAVPP-MSUUIHNZSA-N 303.431 2.675 0 40 DFAB CN(C(=O)NCCCC(C)(C)CO)[C@H]1CCc2ccccc2C1 86406984 RDSYCNQOWLWNHE-KRWDZBQOSA-N 318.461 2.984 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 72295716 CHUFRNSMGRGYKL-HZPDHXFCSA-N 305.418 2.685 0 40 DFAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(F)cc(N2CCCC2)c1 72294216 BXHIDOFEXKJMAL-CHWSQXEVSA-N 323.412 2.954 0 40 DFAB O=C(NCc1csc(-c2ccco2)n1)c1ccc(O)cc1O 97060272 CPIBXBOLTFDFBO-UHFFFAOYSA-N 316.338 2.744 0 40 DFAB CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCC1 84253010 IZRFVOLFAZVFAX-ZDUSSCGKSA-N 304.390 2.581 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@H]2c1cccc(F)c1 97105545 UOWKBXCHHNLURH-OAHLLOKOSA-N 308.316 2.725 0 40 DFAB Cc1ccc2cc(C(=O)NCc3nnc(C(C)C)n3C)ccc2n1 97114700 POLPQLSNKYDHQS-UHFFFAOYSA-N 323.400 2.725 0 40 DFAB CC(C)n1nnnc1-c1ccccc1NC(=O)c1cscn1 97106999 BSLAABUGFBVSLA-UHFFFAOYSA-N 314.374 2.630 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1scnc1C 89948795 XORZVRHAVPCEGP-TZMCWYRMSA-N 307.463 2.578 0 40 DFAB CCOC(=O)[C@@]1(C)CCCN1CC(=O)Nc1cc(C)cc(C)c1 89978189 HQGONDBYONCYQK-GOSISDBHSA-N 318.417 2.660 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)N[C@@H]1CCO[C@]2(CCSC2)C1 95426908 GTAISRCMXPZVBH-IIAWOOMASA-N 310.463 2.697 0 40 DFAB O=C(OCC12CC3CC(CC(C3)C1)C2)C1CCS(=O)CC1 95465672 SXSQWBLRDBEAAV-UHFFFAOYSA-N 310.459 2.905 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)N(C)C[C@H]1CCOC1 95408142 QMLNMPNFLZZNGL-JKSUJKDBSA-N 320.433 2.749 0 40 DFAB CC1(C)C[C@@H](NCc2ccnc(-n3cccn3)c2)C(C)(C)O1 95420081 LQKVCWHPRSQGNQ-CQSZACIVSA-N 300.406 2.703 0 40 DFAB COc1cc(NCCNC(=O)[C@H]2CC=CCC2)cc(OC)c1 95434361 HGKYDSHXFKDGIH-ZDUSSCGKSA-N 304.390 2.588 0 40 DFAB CC(C)(C)c1cn2nc(N3CC[C@H](N4CCCC4)C3)sc2n1 95469691 NQCXFCJZPUQAFX-LBPRGKRZSA-N 319.478 2.763 0 40 DFAB O=C(C[C@@H]1CCCO1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 76018845 YMLIJNYUACGZEK-UONOGXRCSA-N 322.380 2.924 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CCF)CC1 521395260 LXWNKOMZROZJOI-JTQLQIEISA-N 314.323 2.830 0 40 DFAB CC(=O)N1CCN(c2ncc(SC(C)(C)C)cc2C)CC1 72222703 RCMYVCDXQYISQW-UHFFFAOYSA-N 307.463 2.949 0 40 DFAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccncc1 74825876 FOOJFKAKIWMROI-LLVKDONJSA-N 310.806 2.916 0 40 DFAB O=C1NC(=O)c2cc(NC(=O)c3c(F)cccc3Cl)ccc21 35586300 MVNNCIVLTGVQKG-UHFFFAOYSA-N 318.691 2.615 0 40 DFAB COc1ccc2c(NCCC(=O)O)nc(C(F)(F)F)nc2c1 31773828 OIMKTXLPXPOTHG-UHFFFAOYSA-N 315.251 2.544 0 40 DFAB CC(C)CN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216585 VQFVALZGIJGCHU-QGZVFWFLSA-N 302.466 2.626 0 40 DFAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 41123432 MDYNTNIFSXIYLS-STQMWFEESA-N 307.394 2.501 0 40 DFAB FC(F)Oc1cccc([C@H]2CN(C[C@@H]3CCOC3)CCO2)c1 195546398 FCWTURLUCOCMHD-SWLSCSKDSA-N 313.344 2.698 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 85880010 NTHFGBIKVDDYNT-ZDUSSCGKSA-N 309.321 2.552 0 40 DFAB biogenic CCOc1nn(C)c2ccc(I)cc12 225774753 SARYEXOSUFTGMH-UHFFFAOYSA-N 302.115 2.577 0 40 DFAB Fc1ccccc1-c1nnc([C@H]2CCN(c3ncccn3)C2)o1 49171345 UGXMWTSQRHKUNL-NSHDSACASA-N 311.320 2.660 0 40 DFAB biogenic,in-vitro COC(=O)c1ccc(CN2C[C@H](C)C(=O)Nc3ccccc32)o1 80739825 MIXRSZIASYTHSJ-NSHDSACASA-N 314.341 2.661 0 40 DFAB CCOC(=O)CCCN(C)C(=O)c1ccc2nc(Cl)oc2c1 225978614 SOOLIBRANJRBFY-UHFFFAOYSA-N 324.764 2.897 0 40 DFAB C[S@@](=O)C[C@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 96445484 HLNQZNLKDQFFMN-QKKBWIMNSA-N 322.817 2.585 0 40 DFAB CSC[C@@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96414660 JCUKIVSRZUCMLC-IPYPFGDCSA-N 313.850 2.674 0 40 DFAB O=C(OCc1ccccn1)c1cccc(OCC(F)(F)F)n1 96416384 VOBVFPLPTLJJTB-UHFFFAOYSA-N 312.247 2.775 0 40 DFAB C/C=C/C[S@](=O)CC(=O)NCCc1c(C)cc(C)cc1C 95417632 DJSFVLPYVMOWPW-YAQIIAKESA-N 307.459 2.595 0 40 DFAB c1ccc(CO[C@@H]2CN(Cc3cccs3)[C@@H]3COC[C@H]23)nc1 96055887 IEVICQKEIOOVIJ-GVDBMIGSSA-N 316.426 2.559 0 40 DFAB C[C@@H](CNC(=O)NCc1cccc(N(C)C)c1)c1nccs1 97375942 JUSPHRZFFYGMAW-LBPRGKRZSA-N 318.446 2.812 0 40 DFAB CCCCc1noc([C@H](C)SCc2nnnn2C2CC2)n1 96413058 FLJKAFZKXYZMLY-VIFPVBQESA-N 308.411 2.728 0 40 DFAB CC(C)CN1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O 96046776 LXGLJRBZAOMGPI-UHFFFAOYSA-N 320.458 2.859 0 40 DFAB CSc1cc(NC(=O)N2CC[C@H](CN3CCCC3)C2)ccn1 96491544 XQUWKJSDHXLODS-CYBMUJFWSA-N 320.462 2.753 0 40 DFAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 247407986 OVPFRCGBPWBEEM-WNRNVDISSA-N 323.392 2.825 0 40 DFAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nnc2n1CCCCC2 40510452 GAZQXYGKQMXZSK-INIZCTEOSA-N 324.428 2.911 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CCC[C@@H]2c2ccncn2)n1 257229731 FZGXIIMXJLHCCR-CYBMUJFWSA-N 319.796 2.714 0 40 DFAB c1ccc(CO[C@H]2CN(C3CCOCC3)C[C@@]23CCCO3)cc1 257224433 FBUNYEXGDJIYOQ-OALUTQOASA-N 317.429 2.616 0 40 DFAB Cn1cc(SCCCC(=O)N2CCc3ccccc3C2)cn1 257173143 DSTPZFNJQKIVQU-UHFFFAOYSA-N 315.442 2.877 0 40 DFAB O=C(CC1(O)CCCCC1)N1CCC[C@H](c2nccs2)C1 257282363 OTLVFQJZYIUGOQ-ZDUSSCGKSA-N 308.447 2.934 0 40 DFAB O=c1oc2cc(Br)c(F)cc2n1Cc1ccccn1 390833559 JJOFVZVCQBBYMV-UHFFFAOYSA-N 323.121 2.939 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Oc2ccncn2)C1 575605055 GLRAYDABNIVCMP-LLVKDONJSA-N 321.739 2.563 0 40 DFAB CNC(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58161013 RPBDIRROCPIAGE-ZDUSSCGKSA-N 313.442 2.683 0 40 DFAB Cc1cccc(CC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1Cl 1549741036 YZQKGFPNLWCDBX-LBPRGKRZSA-N 318.808 2.630 0 40 DFAB Cc1ccc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 68550058 ALQKZZZQCTYPTK-MOPGFXCFSA-N 324.424 2.803 0 40 DFAB Cc1c(NC(=O)N2CCOCC2)cccc1OCC(F)(F)F 69223986 PWFRJNDABGHUTP-UHFFFAOYSA-N 318.295 2.800 0 40 DFAB O=C(Cc1cccc(O)c1)NC[C@H]1CCO[C@@H]1c1ccccc1 98014500 REKXNLVSWQNKFR-VQIMIIECSA-N 311.381 2.829 0 40 DFAB Nc1cc(N)nc(SCc2cccc(C(F)(F)F)c2)n1 803829 URMDJIQWEHLWAW-UHFFFAOYSA-N 300.309 2.952 0 40 DFAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(F)cc1 12141823 STCKUALWVZVFFO-MRXNPFEDSA-N 313.328 2.960 0 40 DFAB Cc1cc(-c2cnc(N3CCC(O)CC3)nc2C(C)C)on1 12186884 AMZJMFMLBZTEBL-UHFFFAOYSA-N 302.378 2.525 0 40 DFAB Cc1ccc(CNCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 13998414 BRMHKMNKUBKJAU-UHFFFAOYSA-N 322.364 2.855 0 40 DFAB O=c1[nH]c(CNC2CCCC2)nc2sc3c(c12)CCCC3 13999121 XWADBQFODHRLAT-UHFFFAOYSA-N 303.431 2.896 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)Nc1nccs1 14257680 WZAFKEQVFJDZIR-UHFFFAOYSA-N 307.400 2.587 0 40 DFAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@H]1c1ccccc1 15086161 UNPQFTYTEWXGIE-QILLFSRXSA-N 304.386 2.700 0 40 DFAB Cc1cccc(C(=O)NCC(=O)OCc2cccc(F)c2F)c1 16616424 CMYJVEAUBBKTDL-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccncc1 19374917 YBYFXXMQEWJTKV-INIZCTEOSA-N 324.380 2.884 0 40 DFAB Cc1nc(NC(=O)CCS(=O)(=O)c2ccccc2)sc1C 10590677 XRJORBBLVPFZBX-UHFFFAOYSA-N 324.427 2.562 0 40 DFAB NNc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 226310111 SQHPWWDPEXRTTN-UHFFFAOYSA-N 302.334 2.973 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCC2)c([N+](=O)[O-])n1 5970334 AEZNKRSYHDXCGH-NSHDSACASA-N 307.350 2.514 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1Cl 6528687 FIWYHFXIVPNDML-UHFFFAOYSA-N 317.772 2.970 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888860503 PGVMMWGODUJUKH-CQSZACIVSA-N 323.396 2.895 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cccnc3)C2)ccn1 1776000793 KNRCYMOXTZFWOU-OAHLLOKOSA-N 311.385 2.716 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O 38458574 HLQYTKUIIJTNHH-LLIWRYSGSA-N 306.446 2.930 0 40 DFAB endogenous,in-man CCN(Cc1ncccc1C)[C@@H]1CCOC2(CCN(C)CC2)C1 2037846280 NLGYNBSTUZCXMC-QGZVFWFLSA-N 317.477 2.855 0 40 DFAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nccs1 12444043 DSPQOWCGQFWWPU-UHFFFAOYSA-N 318.333 2.729 0 40 DFAB COc1ccc(-c2cc(CC(=O)NCc3cccnc3)no2)cc1 12634099 BBSGHOYJTLMYCH-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB C[C@@](O)(CNC(=O)NCc1ccc(F)cc1)Cc1ccsc1 675007776 OWORCFFFSFSFGS-INIZCTEOSA-N 322.405 2.680 0 40 DFAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccn(C)n1 12444384 YKHHOLVRNIUMIE-UHFFFAOYSA-N 315.354 2.674 0 40 DFAB O=C(NC[C@@]1(O)CCOc2ccccc21)c1ccccc1Cl 75158094 HPKHKFKOHQKNHC-KRWDZBQOSA-N 317.772 2.740 0 40 DFAB C[C@H]1CCCCN1CCNC(=O)N1CCc2sccc2C1 40145625 PQYBNFHXYOPXSO-ZDUSSCGKSA-N 307.463 2.690 0 40 DFAB CCCNC(=O)CN(CCC)C(=O)CCc1ccccc1F 40155304 UOMMDTSFQMMRAL-UHFFFAOYSA-N 308.397 2.523 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2ccc(Br)c(Cl)c2)C1 32770 KTMIIWZDKYVRIQ-LURJTMIESA-N 318.554 2.540 0 40 DFAB O=C(Cc1ccccc1F)OCC(=O)N1CCc2ccccc21 3216542 KNCOMSRWKFOVRN-UHFFFAOYSA-N 313.328 2.501 0 40 DFAB C[C@@H](CCNC(=O)c1cnn[nH]1)c1cccc(C(F)(F)F)c1 78966913 GYAJANIDTVRYBW-VIFPVBQESA-N 312.295 2.747 0 40 DFAB Cc1nc2sccn2c1CNCc1ccc2c(c1)OCO2 35255535 UBQCCCOHGFZSIS-UHFFFAOYSA-N 301.371 2.723 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 43926416 AMTBOYCPONTMDS-RYUDHWBXSA-N 310.419 2.790 0 40 DFAB CCN1CCC[C@@H](CNC(=O)NC[C@H](C)c2nc(C)cs2)C1 108393516 NZHWTHDFAIRJHE-JSGCOSHPSA-N 324.494 2.586 0 40 DFAB COc1ccc2oc(=O)c(C(=O)Nc3nc(C)cs3)cc2c1 4539621 HFOMGRJNIANLBN-UHFFFAOYSA-N 316.338 2.819 0 40 DFAB Cc1ccc2oc(-c3ccco3)c(OCC(=O)O)c(=O)c2c1 1951917 HAAIDHCMEAXBQK-UHFFFAOYSA-N 300.266 2.825 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 6881280 RQDRREXTQXWVLK-VIFPVBQESA-N 321.427 2.746 0 40 DFAB Cc1cc(C(=O)NCCN(C(C)C)C(C)C)nn1C(C)(C)C 44848540 CHCFSRYNOYMJCT-UHFFFAOYSA-N 308.470 2.795 0 40 DFAB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1 8729503 NRXUMGUFWSGNRI-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB Cc1c(C(=O)NCc2ccco2)nnn1-c1cccc(Cl)c1 51317663 SFWIXNOSEKIHRZ-UHFFFAOYSA-N 316.748 2.752 0 40 DFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2)cc1 100143623 WBUMITSKYQMOTM-WFASDCNBSA-N 306.369 2.754 0 40 DFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1 100143787 YWRRHWBUYLHUFH-FZMZJTMJSA-N 306.369 2.754 0 40 DFAB O=C(COC(=O)COc1ccccc1)Nc1cccc(Cl)c1 3388822 OSWBWCYYAFRULS-UHFFFAOYSA-N 319.744 2.901 0 40 DFAB Cc1ccc(-c2cnc(CCC(=O)N3CCOCC3)o2)cc1C 29065282 XVQVHSLRCWQTIV-UHFFFAOYSA-N 314.385 2.750 0 40 DFAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1nccs1 11326634 GHIGUUWXLBHOFS-VMPITWQZSA-N 313.382 2.922 0 40 DFAB CCOC(=O)c1ccoc1CSc1nnc2ccccn12 36812853 SMMKPMQEYOBBCO-UHFFFAOYSA-N 303.343 2.791 0 40 DFAB CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 100177591 NWVYPSHAWJEVKR-RYQLBKOJSA-N 317.477 2.672 0 40 DFAB CNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 3041671 TYBHVKSXCDVZOS-UHFFFAOYSA-N 311.168 2.563 0 40 DFAB O=C(NC[C@@H]1CCOC1)c1csc(-c2ccc(F)cc2)n1 48302246 YGJSJEBCSSOJSK-JTQLQIEISA-N 306.362 2.716 0 40 DFAB Cc1ccc(CN2CCC3(CC(NC(=O)N(C)C)C3)C2)s1 108526253 QDTCJUHPZJZOAZ-UHFFFAOYSA-N 307.463 2.682 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1 48353505 PJQUDZOAWPQUOM-IIAWOOMASA-N 312.417 2.952 0 40 DFAB CN1CCN(CC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)CC1 23473207 ANUJAORDMSHNEJ-AFGAAMFOSA-N 304.478 2.800 0 40 DFAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC1CCCC1 3546345 JOGIQBQLIQIMDU-GFCCVEGCSA-N 316.430 2.807 0 40 DFAB CCN1CC[C@H](CNCc2c[nH]nc2-c2ccc(OC)cc2)C1 48745049 MWBPIGPQPMLRDN-CQSZACIVSA-N 314.433 2.517 0 40 DFAB COc1ccc(CNCc2ccc(-n3ccnc3C)nc2)cc1 48782264 MIPBVWLSAIOLDC-UHFFFAOYSA-N 308.385 2.874 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 13170358 CFIVHRMKMITXDU-QMMMGPOBSA-N 302.157 2.930 0 40 DFAB Oc1ccc2cc1-c1cc(ccc1O)CC[C@H](O)C[C@@H](O)CC2 13311570 YWQBDYGHWGZJOM-GJZGRUSLSA-N 314.381 2.756 0 40 DFAB biogenic,in-vitro NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 9314903 GIHCGUHSYZDYTE-UHFFFAOYSA-N 319.158 2.800 0 40 DFAB COc1cccc(-c2ncc([C@@H]3NCCc4nc[nH]c43)s2)c1 65408011 QBYGQUWNTVHBME-HNNXBMFYSA-N 312.398 2.777 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 14095045 XQNYVNVAVOHMET-UHFFFAOYSA-N 301.308 2.668 0 40 DFAB O=C(O)CCCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 175449674 RPNSURWGZHDWGY-ZDUSSCGKSA-N 317.307 2.944 0 40 DFAB CCc1[nH]c(C(=O)NCc2ccccc2)c(C)c1C(=O)OC 14166298 HXBZMTXYQDCCOJ-UHFFFAOYSA-N 300.358 2.602 0 40 DFAB Cc1ccc(C)n1-c1c(C(=O)NCCC(C)(C)C)cnn1C 65780117 BSFZELXZUILIBV-UHFFFAOYSA-N 302.422 2.994 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cc(O)nc2ccccc12 14242106 BUIPECDNTRGYES-UHFFFAOYSA-N 304.309 2.674 0 40 DFAB Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnn1C 14248822 UNOXBVYFPVIUQD-UHFFFAOYSA-N 307.419 2.827 0 40 DFAB CCCCc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4613846 PDBSLNJXIQZOJR-UGUYLWEFSA-N 315.369 2.622 0 40 DFAB CCCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 96425865 QHTHATVBIFPQOA-SNVBAGLBSA-N 301.383 2.597 0 40 DFAB COc1ccc(OC)c([C@H]2NCC[C@]23C(=O)Nc2ccccc23)c1 62001652 WYZHVMFGJGFGFV-IEBWSBKVSA-N 324.380 2.628 0 40 DFAB biogenic CCOc1cc(S(=O)(=O)n2cnc(C)c2)c(OCC)cc1C 7425109 IIIMLHBBINHDOU-UHFFFAOYSA-N 324.402 2.534 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)NCc1cccnc1 71913570 SGENIXHWQHNULH-UHFFFAOYSA-N 318.465 2.735 0 40 DFAB c1ccc(-c2cc(CN3CCC[C@H]3Cn3cncn3)on2)cc1 69484670 DXUATWNZNYHJGX-HNNXBMFYSA-N 309.373 2.598 0 40 DFAB Cc1nc([C@H](C)NC(=O)Cc2cccs2)sc1C(=O)O 97050107 YPQOSDOFSWTVBA-QMMMGPOBSA-N 310.400 2.631 0 40 DFAB CCN1CCCN(C(=O)c2ccc(Br)cc2)CC1 69809055 FHTAILKSUJFCJE-UHFFFAOYSA-N 311.223 2.617 0 40 DFAB CCCc1nc(C)c(C(=O)N[C@@H]2CCc3nc(C)cn3C2)s1 97198825 DNAGSHUYCWFQID-GFCCVEGCSA-N 318.446 2.654 0 40 DFAB O=C(NCc1nnc2ccccn12)Nc1ccc(Cl)cc1 8751252 JQBRVFSRIXPPOS-UHFFFAOYSA-N 301.737 2.704 0 40 DFAB C[C@@H](O)CCN(C)C(=O)Nc1ccc(Br)cc1 72309788 GLVDPHIKOBMMJX-SECBINFHSA-N 301.184 2.684 0 40 DFAB O=C(NCCn1cccc1)Nc1cccc(Oc2ncccn2)c1 84301556 HBYPADHFEPNJJM-UHFFFAOYSA-N 323.356 2.892 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n[nH]2)cc1 8924422 NQKQNNHULOUBDQ-SECBINFHSA-N 318.402 2.810 0 40 DFAB Cc1ccsc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 9155030 YUYATDHNLHAJGJ-UHFFFAOYSA-N 306.362 2.906 0 40 DFAB CSc1cnc2ccccc2c1N1CCC[C@H](C(N)=O)C1 96011473 DUTYVWGWGGBYIX-NSHDSACASA-N 301.415 2.658 0 40 DFAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccccn1 89363668 WSWIRRHYUHWGAF-OAHLLOKOSA-N 324.302 2.845 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 27974446 RIDMAGIAGVZCTA-SECBINFHSA-N 306.343 2.586 0 40 DFAB COc1cc(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)ncn1 541179236 HGPZLJPTBVVXEY-JTQLQIEISA-N 316.336 2.776 0 40 DFAB COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2Cl)c1 72227747 RJJQTIYRTLKHIC-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB CC[C@@H](C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1 32647956 ZVTBJQLKHHBKLY-SNVBAGLBSA-N 309.316 2.726 0 40 DFAB CC(C)CN1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 72216304 VEVQOOWIVHKYOP-QGZVFWFLSA-N 302.466 2.674 0 40 DFAB CC(=O)N1CCC[C@H](c2cnc(NC3CCCCC3)cn2)C1 72364679 YAQJLHGQQNTJEX-AWEZNQCLSA-N 302.422 2.947 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)C)C1 48290174 KUJJQFSVGKZFJA-UKRRQHHQSA-N 323.462 2.755 0 40 DFAB Cc1cc(C(=O)N2CCCCCC2)nc(N2CCCCC2)n1 72239839 ADOKFEZCBFMDSB-UHFFFAOYSA-N 302.422 2.792 0 40 DFAB Cc1cc(C)c(N2CC[C@H](N[C@H]3CCSC3)C2=O)c(C)c1 189454964 FVRRHABOEKLQNN-GJZGRUSLSA-N 304.459 2.812 0 40 DFAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1Cl 75163330 FMULLBYZJYTBCC-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)CC1 47465113 WSINCFPTJSJVGK-AWEZNQCLSA-N 319.401 2.564 0 40 DFAB Cc1ccc(C(=O)NCCc2cc3ccc(F)cc3[nH]c2=O)cc1 49597373 NUQIRUMLAYWKIC-UHFFFAOYSA-N 324.355 2.948 0 40 DFAB C[C@@H]1CN(CCSCc2ccccc2)CCN1CC(C)(C)O 192804466 LFAMCKUHENLICY-MRXNPFEDSA-N 322.518 2.697 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(CO)cc2)C1 228911015 WYURFKOWJOGOQA-AWEZNQCLSA-N 306.406 2.530 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1 223974032 XASZIHQUZGWSHI-UHFFFAOYSA-N 319.426 2.969 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1CCCCN1 195542825 SIHVIXZJUDXHOX-GFCCVEGCSA-N 300.324 2.506 0 40 DFAB CCOc1cccc([C@@H](C)NC(=O)c2conc2C(C)(C)N)c1 573816184 ZWCRBNRYGCLFAZ-LLVKDONJSA-N 317.389 2.758 0 40 DFAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC(C)C)n1 225889658 GFCLQAFJZMVQBF-LBPRGKRZSA-N 307.467 2.859 0 40 DFAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccc(F)cc1 195575318 WJDAREFJUUKLNW-MEDUHNTESA-N 323.389 2.763 0 40 DFAB CCN(CCO)Cc1ccc(Br)c2cccnc12 96497155 GDTHAGGUXXREOZ-UHFFFAOYSA-N 309.207 2.812 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1cccc(F)c1 96518645 PNQBDUOQPCVRGA-LLVKDONJSA-N 323.183 2.554 0 40 DFAB O=C(NCc1nnc(-c2ccccc2)s1)c1ccncc1F 96470794 KGJUHZPBABAVLT-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB Cc1nc(CN2C[C@H]3C(=O)N(c4ccccc4)C[C@H]3C2)cs1 96053586 YAZSDALBMPJQJO-CZUORRHYSA-N 313.426 2.546 0 40 DFAB c1ccc(OC[C@H]2C[C@H]3OCCN(Cc4ccoc4)[C@@H]3C2)nc1 96250556 BTOLSDAYMMHSTF-BRWVUGGUSA-N 314.385 2.733 0 40 DFAB c1cncc(OC[C@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1 96067280 DQMXATVCAHOSKF-HNNXBMFYSA-N 324.384 2.582 0 40 DFAB c1ccc2[nH]c([C@H]3CCCCN3c3ccc4nnnn4n3)cc2c1 96472317 QEBPTUDRCFYERB-OAHLLOKOSA-N 319.372 2.732 0 40 DFAB COCc1ccccc1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 96425504 CNBQUSMTJCNKRB-GFCCVEGCSA-N 315.417 2.544 0 40 DFAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@](C)(O)[C@@H]2C3)cc1 257202698 AMXOTXRYCXNRHE-LACBEWGXSA-N 306.402 2.683 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2nccn3cccc23)CC1 257226356 FKILIXSJHXPKQI-AWEZNQCLSA-N 323.400 2.542 0 40 DFAB C[C@H](c1ccc(F)cc1F)N1CCN(Cc2nccn2C)CC1 69528057 AXBRCKCBNHXWNT-CYBMUJFWSA-N 320.387 2.577 0 40 DFAB CC1(C)COCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 69527521 IFUGMBKYVFJTHQ-UHFFFAOYSA-N 306.381 2.677 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1 69588128 SAVAGUOZRYQJOF-SJORKVTESA-N 304.409 2.844 0 40 DFAB COc1cccc(C(=O)N2CC[C@@H](Cc3nccs3)C2)c1 257212411 CDHIRUXFPSPLBA-LBPRGKRZSA-N 302.399 2.857 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2cccc(N)c2)c1 261788830 SWBJZMWWRCAPNG-GFCCVEGCSA-N 314.385 2.706 0 40 DFAB c1cnc(OC[C@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 1776009351 FRDXSJMQZCPBGZ-HNNXBMFYSA-N 309.413 2.735 0 40 DFAB C[C@@H]1CCCCN1C(=O)Nc1cccc(N2CCNC2=O)c1 47894267 XKELZZCSDHKWRK-GFCCVEGCSA-N 302.378 2.623 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCO1 76018080 DDEJYWMWVJZEHG-ULYATVDSSA-N 323.396 2.959 0 40 DFAB COc1ccc([C@H](NC(=O)NC[C@@H]2CCCOC2)C2CC2)cc1 56374007 CTTXPXMQVMDQCZ-SUMWQHHRSA-N 318.417 2.872 0 40 DFAB Cc1cc(NC(=O)N(C)Cc2ccccc2)ccc1-n1cnnn1 58894283 LMFVMWMYNCUZBS-UHFFFAOYSA-N 322.372 2.635 0 40 DFAB O=C(Nc1ccc(Cn2cccn2)cc1)[C@@H](C1CC1)N1CCCC1 97376442 QZQDRFRWYHSKOA-GOSISDBHSA-N 324.428 2.744 0 40 DFAB COc1ccccc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 5527571 AMOKRMWLMZIUII-GDBMZVCRSA-N 302.418 2.690 0 40 DFAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cccs1 12156118 QOHHUEVAQQLWMW-CYBMUJFWSA-N 301.367 2.883 0 40 DFAB Cc1ccc(-c2nc3n(c2CNC(=O)C2CC2)CCS3)cc1 17051200 HKMLSMJHYKPADM-UHFFFAOYSA-N 313.426 2.990 0 40 DFAB Cc1cnc2cc(C3CCN(C(=O)c4ccncc4)CC3)[nH]c2n1 19239378 WIJLVZHEADDODS-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)c2cccnc2O1 158716430 BWMXESNQXIXEGJ-DYVFJYSZSA-N 324.380 2.900 0 40 DFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccccc1F 12877339 KKRNGKRGOMLCKZ-OAHLLOKOSA-N 320.364 2.995 0 40 DFAB Cc1csc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)n1 21482628 MTZOCKRTLFMMPO-UHFFFAOYSA-N 310.762 2.764 0 40 DFAB CC1CCC(C(=O)N2CC3(CCN(C(=O)C(C)C)C3)C2)CC1 1565550180 SRCJQBZSHAJNLT-UHFFFAOYSA-N 306.450 2.530 0 40 DFAB CCCN1C(=O)CCc2cc(NS(=O)(=O)CC(C)C)ccc21 8840572 FIYLVXADRVPXFB-UHFFFAOYSA-N 324.446 2.774 0 40 DFAB CCOc1ccc(C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 10220506 KHUIBHQGBFXISS-HNNXBMFYSA-N 305.374 2.501 0 40 DFAB CCn1/c(=N/C(=O)C2CC2)sc2cc(OC)c(OC)cc21 101035713 OLSNPPGROOAXTC-NXVVXOECSA-N 306.387 2.577 0 40 DFAB CC[C@@H]1[C@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 105381596 RLAKWLFUMAABBE-HNDQOOCDSA-N 324.424 2.911 0 40 DFAB biogenic Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCC3CCC3)c12 31438731 QLMYRVBPFKEVNO-UHFFFAOYSA-N 300.406 2.930 0 40 DFAB COC[C@@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1 40529701 FYUAQPVEHBGDEN-SNVBAGLBSA-N 314.223 2.878 0 40 DFAB O=C(Cc1csc(-n2cccc2)n1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101716986 SLZSPEXMJKZIEH-MELADBBJSA-N 313.426 2.805 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cn1)c1cccs1 21383053 CBQKORQLDUABQI-LBPRGKRZSA-N 303.387 2.658 0 40 DFAB O=C(CCC(=O)Nc1ccc(Cl)cc1)NCc1ccco1 421717 QRSHBIHGHOISGL-UHFFFAOYSA-N 306.749 2.968 0 40 DFAB O=C(COc1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 32911504 PAAGOEKIGYTHSX-GOSISDBHSA-N 324.424 2.846 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccn3)CC2=O)cc1 806807 JIQADLZJNMRREG-CQSZACIVSA-N 309.369 2.636 0 40 DFAB CC(C)OC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)o1 77106 IVUGBWFOMFNAFV-UHFFFAOYSA-N 321.402 2.846 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 1247046 IZWCXISDIPJTMM-ZDUSSCGKSA-N 300.387 2.560 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C(N)=O)ccc1C 78675393 FPEWOUBKUMBFIO-OAHLLOKOSA-N 304.390 2.770 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2O)C1 79014352 BDOIZBXNDBHJIC-LLVKDONJSA-N 322.380 2.755 0 40 DFAB O[C@@H](CN1CCN(CC2CCCCC2)CC1)c1ccccc1 64129498 YMEYNDUUSHVMKS-IBGZPJMESA-N 302.462 2.918 0 40 DFAB Cc1cc(NC(=O)NCc2ccc(OC(C)C)cc2)n(C)n1 43433902 DGGYAWFOTOONKT-UHFFFAOYSA-N 302.378 2.837 0 40 DFAB Cc1sc2ncnc(OCC(=O)N[C@H](C)C(C)C)c2c1C 3422013 KZUWUYSBXLOFMX-SNVBAGLBSA-N 307.419 2.848 0 40 DFAB CC(=O)c1sc(NC(=O)c2ccc3c(c2)OCCO3)nc1C 3440791 DXQWTLPUCYSBFI-UHFFFAOYSA-N 318.354 2.678 0 40 DFAB C[C@@H](NC[C@@H](O)c1ccccc1)c1ccc(-n2cncn2)cc1 25367479 IWBNVORELAZQED-RDTXWAMCSA-N 308.385 2.652 0 40 DFAB COc1ccc2cc(CNCc3cccs3)c(=O)[nH]c2c1 4160554 KYUUOWYEZCPHBF-UHFFFAOYSA-N 300.383 2.888 0 40 DFAB CCOC(=O)NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C 4444933 UHHNOAUXKGQFQH-UHFFFAOYSA-N 321.373 2.658 0 40 DFAB O=C1N(CCO)C2=CCCC[C@]23c2[nH]c4ccccc4c2CCN13 6576341 NOLNWGBCVLODMZ-LJQANCHMSA-N 323.396 2.717 0 40 DFAB O=c1cc(-c2ccccc2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 8020833 VENOGLGADMMVRG-UHFFFAOYSA-N 321.311 2.813 0 40 DFAB COc1ccccc1-n1nnnc1SCc1csc(C)n1 8395631 QWVAFLCHTDONAJ-UHFFFAOYSA-N 319.415 2.728 0 40 DFAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 2108589 LNIBEDZBSAHJSQ-QWRGUYRKSA-N 313.357 2.967 0 40 DFAB biogenic Cc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c(C)c1 10682228 DNTTZOXHFMOJKT-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB O=C(O)CCCCCNC(=O)CCn1ccc2ccc(F)cc21 36357855 BILKPEGBMIOGSB-UHFFFAOYSA-N 320.364 2.932 0 40 DFAB CN(C)c1nc(N)nc(CSC23CC4CC(CC(C4)C2)C3)n1 10978095 WJRBSRHVPKUREQ-UHFFFAOYSA-N 319.478 2.722 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H]1c1nnc2n1CCCCC2 29246970 XHPBDJAKGVWFMQ-HNNXBMFYSA-N 310.401 2.982 0 40 DFAB Cc1noc([C@H](C)N2CCC([C@H](O)c3ccccc3)CC2)n1 45914019 GWJMPYVJTHYZPM-BLLLJJGKSA-N 301.390 2.885 0 40 DFAB COc1ccccc1CNC(=O)c1cnc2c(cnn2C(C)C)c1 11775663 AFRTXVAOTMUVLE-UHFFFAOYSA-N 324.384 2.951 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102792085 HHABUIATFTVOAQ-FRFSOERESA-N 314.429 2.879 0 40 DFAB COC(=O)N1CCC[C@H](N[C@H]2CCCc3nc(C)sc32)C1 95421612 SRMWOCBBSVETNV-AAEUAGOBSA-N 309.435 2.649 0 40 DFAB C[C@H](NC(=O)Nc1ccncc1)c1ccc2c(c1)CCC(=O)N2 46986897 FCBYLFIHJNUKPE-NSHDSACASA-N 310.357 2.849 0 40 DFAB C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCn2cccn2)C1 174947047 BAJSTHUXPWXDHT-BBRMVZONSA-N 316.380 2.815 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1 24255980 BDYAGENZUYZAAJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2cc[nH]c2c1 61717933 RHSMTOYWZYUBDT-UHFFFAOYSA-N 318.336 2.586 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(F)cc2)C1 48270226 DELHOKXRIFMDMV-GASCZTMLSA-N 306.425 2.852 0 40 DFAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCC(C(=O)O)CC1 95989492 BWPUYKXKAMMVIC-FIYWTHMPSA-N 307.415 2.920 0 40 DFAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NC1CCCC1 3510814 KDGXBJRZVYZQMU-LBPRGKRZSA-N 312.369 2.839 0 40 DFAB O=C(COC(=O)c1ccccc1Cl)NCCc1ccccc1 3619049 CALVCXIOWCHXCY-UHFFFAOYSA-N 317.772 2.856 0 40 DFAB COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O 13126540 AHHBCCSJKYJOLS-UHFFFAOYSA-N 301.342 2.627 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)o1 9364984 XJKPRTBEKPBXJJ-IOCXFXADSA-N 312.325 2.959 0 40 DFAB CCCCCN1C(=O)/C(=C2\SC(=O)NC2=O)c2ccccc21 13534076 NSPASIMBJOXRQB-SEYXRHQNSA-N 316.382 2.918 0 40 DFAB C[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccccc3F)cc2C1 49551521 QIPDXBKPFFNGTM-JTQLQIEISA-N 300.333 2.891 0 40 DFAB O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(CCC(F)(F)F)cc1 95434811 CIWHHMFEURNUKY-GXTWGEPZSA-N 313.319 2.848 0 40 DFAB Cc1ccccc1NC(=O)Cn1cnc2cc3c(cc21)OCCO3 64794726 ZRSFHOJHOKMCLF-UHFFFAOYSA-N 323.352 2.755 0 40 DFAB COc1cccc(CNn2cnnc2)c1OCc1ccccc1 6182529 SDXKMBJQHLMUOM-UHFFFAOYSA-N 310.357 2.609 0 40 DFAB CCn1c(C)cc(C(=O)Cn2cnc3ccsc3c2=O)c1C 14112609 YIAYZXVEELJPFT-UHFFFAOYSA-N 315.398 2.779 0 40 DFAB Cc1cc(COC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)on1 14199677 JZHIBIZRYHRLEJ-UHFFFAOYSA-N 320.345 2.850 0 40 DFAB O=C(Nc1ccccc1C(=O)O)c1cc2ccccc2c(=O)o1 4540195 MPGDYHLKHDBRKD-UHFFFAOYSA-N 309.277 2.744 0 40 DFAB NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 6648629 OMPLBFRNDJRXKM-SFHVURJKSA-N 322.408 2.763 0 40 DFAB Sc1nnc(-c2cnccn2)n1-c1cccc2ncccc12 4710599 NTTHKFKQOUKTOU-UHFFFAOYSA-N 306.354 2.561 0 40 DFAB COc1ccccc1C(=O)N1CCN(c2ccccc2C)CC1 7185096 VMQYXBQIZALHJH-UHFFFAOYSA-N 310.397 2.966 0 40 DFAB O=C(CCNC(=O)c1ccsc1)NCc1cccc(Cl)c1 15565622 YQOGTNPXVBQYIN-UHFFFAOYSA-N 322.817 2.838 0 40 DFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)OC(C)(C)C 15518118 XRYDKYDHSJPLMH-ZDUSSCGKSA-N 316.405 2.602 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)oc2ccc(F)cc12 71829796 QKDCKUZLMMMUFY-KOLCDFICSA-N 318.348 2.606 0 40 DFAB Cc1ccc2cc(C(=O)N3CCC[C@H]3Cn3cccn3)[nH]c2c1 71866434 QZIGGDLBFXUDCP-HNNXBMFYSA-N 308.385 2.978 0 40 DFAB Cc1nnc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)s1 81164904 XRELOOMBISLZGW-JTQLQIEISA-N 317.418 2.719 0 40 DFAB CC(=O)Nc1ccc(Sc2nnnn2-c2ccccc2)cc1 7983537 KXWAUWNOKFRKRX-UHFFFAOYSA-N 311.370 2.772 0 40 DFAB O=C(NCc1cccc(Cl)c1)c1ccc(-n2cncn2)cc1 8273941 QXCVFQJYVGLMDC-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB Cc1noc([C@@H](C)N2CCN(CCCc3ccccc3)CC2)n1 69368287 JQVUXJPOHXTOPV-OAHLLOKOSA-N 314.433 2.689 0 40 DFAB CC(C)CCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 69351061 SBHGFTYJSBHESW-MRXNPFEDSA-N 302.418 2.844 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncccn2)c1C 8392808 ZYJLYVNSZFAJCU-LLVKDONJSA-N 303.387 2.988 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)nc1 69454810 UQZGQSWFRJPHOZ-ZDUSSCGKSA-N 316.382 2.907 0 40 DFAB O=C(CCc1ccncc1)N(C[C@H]1CCCO1)[C@H]1CCSC1 69631997 IGBFFIIDPFZGMD-JKSUJKDBSA-N 320.458 2.527 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Oc1ccccc1 69744517 WNMYCQQFVRJYJH-CJNGLKHVSA-N 324.380 2.935 0 40 DFAB CC[C@@](C)(CC(=O)O)NC(=O)CCCOCCc1ccccc1 95970227 HVYRKZQOWRYJSG-SFHVURJKSA-N 321.417 2.786 0 40 DFAB CCc1sc2nc(NC[C@H]3CCCO3)n3ncnc3c2c1C 9053742 VKJYUFLIXIWYCL-SNVBAGLBSA-N 317.418 2.801 0 40 DFAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 72270627 SYMJFFZLYFVGHW-MAUKXSAKSA-N 324.428 2.609 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)c1c(-c2ccncc2)noc1C 97094944 ZZBBRKSQEMABPD-STQMWFEESA-N 302.330 2.769 0 40 DFAB C[C@H](O)c1ccccc1NC(=O)c1cccc(-n2cccn2)n1 97046291 ACXLCWPIXBRETF-LBPRGKRZSA-N 308.341 2.573 0 40 DFAB O=[S@](CCO)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 97046676 VHEFTCJVAQRPTL-NRFANRHFSA-N 319.304 2.601 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1Cc1ncn(-c2ccccc2)n1 96007334 JOIAVDPZSLTOIW-CYBMUJFWSA-N 319.368 2.719 0 40 DFAB O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 95969571 MPXLETYGUWTTAF-MCIONIFRSA-N 317.316 2.854 0 40 DFAB CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 75093942 NODQEBJTJHLEFV-UONOGXRCSA-N 306.431 2.580 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)Cc2c(C)noc2C)no1 76043366 VPEOJSKRJVAIFX-XPTSAGLGSA-N 318.377 2.525 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2ccn(C3CCCC3)n2)n1 28573244 HHKBTYHFWFCGRG-UHFFFAOYSA-N 315.421 2.632 0 40 DFAB COC(=O)c1cn(Cc2ccccc2F)nc1C(F)(F)F 408717658 MYJUKAYAOFMBDB-UHFFFAOYSA-N 302.227 2.876 0 40 DFAB CCNC(=O)c1cc(Br)c(OCC)c(OCC)c1 409379716 YPQJNVKFZAVJNR-UHFFFAOYSA-N 316.195 2.996 0 40 DFAB O=C(Nc1ccc(N2CCCCC2)cn1)c1n[nH]c2c1CCC2 126824553 WMPIHDWMJHTCCN-UHFFFAOYSA-N 311.389 2.536 0 40 DFAB CCOC(=O)C(Nc1ccc2ccccc2c1)C(=O)OCC 1707474 ACVAPXTZJANMHB-UHFFFAOYSA-N 301.342 2.747 0 40 DFAB biogenic O=C(O)c1ccc(CS(=O)(=O)c2ccc(F)c(Cl)c2)o1 35663480 LMUVXXRCXYPUPI-UHFFFAOYSA-N 318.709 2.744 0 40 DFAB COCCn1cc(CC(=O)Nc2ccncc2)c2ccccc21 79494559 QILHQEWUSHIJIV-UHFFFAOYSA-N 309.369 2.864 0 40 DFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2 78403674 INIYZLXCSILKHU-UHFFFAOYSA-N 318.398 2.772 0 40 DFAB C[C@H](c1ccccc1)[C@@H](CO)Nc1ncc(Br)cn1 78882439 GKIVYMRFUPAVBF-ZWNOBZJWSA-N 322.206 2.816 0 40 DFAB COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N)cc1F 71790513 QDYHKYUYQAKZIN-OCCSQVGLSA-N 324.396 2.886 0 40 DFAB C[C@@H](N)[C@@H]1CCN(c2cncc(SCc3ccccc3)n2)C1 562833622 VAAZJEAPUOBWJX-UKRRQHHQSA-N 314.458 2.942 0 40 DFAB FC(F)C1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 568165267 JVDZLBUSZKYYOM-MRXNPFEDSA-N 310.388 2.869 0 40 DFAB COc1cccc([C@H](C)N2CCC[C@H](CN3CCOCC3)C2)c1 79434342 UZTDUOPAVXIZCE-DLBZAZTESA-N 318.461 2.800 0 40 DFAB Cc1cc(=O)c(O)c(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1C 85874833 TVFLESFYAKPJHF-FZKQIMNGSA-N 304.434 2.800 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2nnc3ccccc3n2)cc1 46088131 VQCLUSMXDWVZKW-LLVKDONJSA-N 308.341 2.524 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C3OCCO3)CC2)C1(C)C 69230247 KJXSBTRAAKVKRE-LSDHHAIUSA-N 307.434 2.836 0 40 DFAB COC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80345044 VLJGTCLWMZCONO-VXGBXAGGSA-N 316.184 2.776 0 40 DFAB C[C@]1(C(=O)NCc2ccccc2)Sc2ccccc2NC1=O 40773719 CSCMDIGYKGGDJR-QGZVFWFLSA-N 312.394 2.806 0 40 DFAB COc1ccccc1CN[C@@H]1CCCN(c2ccc(C)nn2)C1 69979448 BRAPBZGLKUBCIB-MRXNPFEDSA-N 312.417 2.552 0 40 DFAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cccs1 47276352 HNHMTNZFRVTAFQ-UHFFFAOYSA-N 316.426 2.510 0 40 DFAB C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1cnn(C)c1 96433746 NCUSANMOBVYOLF-VIFPVBQESA-N 310.304 2.904 0 40 DFAB COc1ccc(F)cc1CSCC(=O)NCc1cccnc1 96409783 JSWBQXAVURTOQL-UHFFFAOYSA-N 320.389 2.779 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N2CCCC[C@H]2CCO)c1 97231129 NWNDCRVIGDSXIN-KRWDZBQOSA-N 319.449 2.953 0 40 DFAB Cc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1O 96427082 YCQWEQMDTXVWOQ-UHFFFAOYSA-N 323.418 2.896 0 40 DFAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 96442617 MDMNMYIJNMEPOH-AWEZNQCLSA-N 315.394 2.954 0 40 DFAB C[C@H](NC(=O)C(=O)NCc1cccc(Cl)c1)c1ccccc1 339381108 ZEWNSINDBXPVJV-LBPRGKRZSA-N 316.788 2.834 0 40 DFAB C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1nccs1 96109741 DRVRZVLIFIKGJQ-LBPRGKRZSA-N 318.446 2.843 0 40 DFAB Cc1ccnc(N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)n1 245229759 FFLUUGKYLSZBHD-KBMXLJTQSA-N 316.449 2.696 0 40 DFAB Nc1cc(CC[C@H]2CN(Cc3ccc(F)cc3)CCO2)ccn1 257336314 YNWYXVISBVDBIH-KRWDZBQOSA-N 315.392 2.637 0 40 DFAB CNc1ncccc1CN1CCN(C(C)=O)C[C@H]1c1ccccc1 257202693 AMWXSZUQZFJCJE-SFHVURJKSA-N 324.428 2.529 0 40 DFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cccs2)CC1 43978087 ZPYASKHFYOYMQT-UHFFFAOYSA-N 323.462 2.698 0 40 DFAB NC(=O)c1ccnc(NCc2cc(Br)ccc2F)c1 95938940 MGDHSYVAEPCQSE-UHFFFAOYSA-N 324.153 2.694 0 40 DFAB OC[C@@H]1O[C@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccccc1 5882396 YIRCGTPRDKWRHB-VJANTYMQSA-N 312.365 2.603 0 40 DFAB NC(=O)[C@@H]1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1 12255038 MGOBOEIMDOXYRQ-GFCCVEGCSA-N 324.384 2.520 0 40 DFAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 12650151 PPGQXIUFJSJUMP-ZDUSSCGKSA-N 323.389 2.552 0 40 DFAB COc1ccc2oc(=O)c(-c3nc(-c4cccnc4)no3)cc2c1 12879998 QWXOQGUSCKOZRX-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB CCOc1ccc(NC(=O)NC2(C(=O)O)CCCCC2)cc1 13564062 ZJPMZJUIYVBZIO-UHFFFAOYSA-N 306.362 2.994 0 40 DFAB Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1C 13964204 DHORZCIYIFWEMB-KRWDZBQOSA-N 319.449 2.782 0 40 DFAB COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1c1cc3ccccc3cc12 16941938 RRCFMWLKXOAGCC-IYBDPMFKSA-N 310.305 2.608 0 40 DFAB OC1CCN(Cc2c(-c3cccnc3)[nH]c3cccnc23)CC1 19717973 KCWYROZQQQWQBW-UHFFFAOYSA-N 308.385 2.582 0 40 DFAB COc1cccc2cc([C@H](C)NC(=O)C3=COCCO3)oc12 25139946 YUUVUAUCWBLFMU-JTQLQIEISA-N 303.314 2.507 0 40 DFAB O=C(Nc1nccs1)c1cccc(OC[C@H]2CCCO2)c1 26228960 BPYGEPJSGADWBO-CYBMUJFWSA-N 304.371 2.953 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 2923469 YYLQIZOXOFOGJY-UKRRQHHQSA-N 304.390 2.702 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)cs1 13305454 JCQWARGSXIFIOT-UHFFFAOYSA-N 311.384 2.662 0 40 DFAB COCCn1cc(NC(=O)NC[C@@H]2CCCO2)c2ccccc21 5266378 YBZDGSZLINAGMN-ZDUSSCGKSA-N 317.389 2.588 0 40 DFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 41290749 SIIPTUGLMDMQQY-UHFFFAOYSA-N 308.381 2.853 0 40 DFAB CCc1nc(NC(=O)c2cnn(-c3ccccc3)n2)sc1C 40118993 KGSNOZLGRJNJBV-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB Cc1ccc(-c2noc([C@H](C)N3CCC(O)CC3)n2)cc1F 40488767 GJNXPZBXDYPSJV-NSHDSACASA-N 305.353 2.702 0 40 DFAB CCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 20633787 SRHPGLUSVNTPHY-UHFFFAOYSA-N 314.320 2.588 0 40 DFAB COc1ccccc1CC(=O)Nc1cc(=O)oc2ccccc12 20762473 SVPWJEZRHZYKCT-UHFFFAOYSA-N 309.321 2.983 0 40 DFAB biogenic CC(C)NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 42182003 DURZLRDAKLBCSI-UHFFFAOYSA-N 313.401 2.743 0 40 DFAB CCc1ccc(CCC(=O)NCc2nnc3ccccn23)cc1 23244608 PIKVYMIKZBIADY-UHFFFAOYSA-N 308.385 2.541 0 40 DFAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 28295940 BYGJCAXZKIDGKH-FZMZJTMJSA-N 321.398 2.650 0 40 DFAB COc1cc(CNCc2ccnc(-n3cccn3)c2)cc(OC)c1 30901074 JSJMPNYVZCZUHP-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB Cc1ccc(C(N)=O)c(OCc2cn3cc(Cl)ccc3n2)c1 28754353 LGYJWFATBNHZQM-UHFFFAOYSA-N 315.760 2.974 0 40 DFAB O=C(NCCCCC(Cl)(Cl)C(=O)O)c1ccccc1 1683178 ONIYGQSRPYQNLQ-UHFFFAOYSA-N 304.173 2.845 0 40 DFAB CC(=O)Nc1cc(NCC(=O)NC2CCC(C)CC2)ccc1F 40493282 QIAMLJPOKYDZSO-UHFFFAOYSA-N 321.396 2.891 0 40 DFAB COc1cccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1 6486695 GUPNRIZDJCDSCS-DOMZBBRYSA-N 305.374 2.547 0 40 DFAB COc1cccc(-c2n[nH]c3c2[C@H](c2cccnc2)N(C)C3=O)c1 6747827 XWWKPGBWQYXPBX-KRWDZBQOSA-N 320.352 2.655 0 40 DFAB COc1ccc(CN(C)[C@H](C)C(=O)NC2CCCC2)c(OC)c1 7266275 LIIGYHQTOQUVEK-CYBMUJFWSA-N 320.433 2.583 0 40 DFAB O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(F)cc1 51418199 JIYGFYIRMCKABX-UHFFFAOYSA-N 310.332 2.912 0 40 DFAB CCCN(CCO)C(=O)Nc1ccccc1Br 69352029 PQRWJQUTQNMVCF-UHFFFAOYSA-N 301.184 2.685 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)Cc1noc(C(C)(C)C)n1 45810426 PKPUGCHCQWYWFO-UHFFFAOYSA-N 303.362 2.728 0 40 DFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OC[C@H]1CCCCO1 8345945 LNLGMHOZWYQYLE-RISCZKNCSA-N 321.398 2.602 0 40 DFAB Cc1cc(N2CCN(c3ncccn3)CC2)c2ccccc2n1 40489115 BCOCPYXMCYMCIN-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB O=C(/C=C/c1cccc2ccccc12)NCCNc1cnccn1 46406559 IWCADFFOWQXKFL-CMDGGOBGSA-N 318.380 2.871 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc[nH]c2=O)C2CC2)o1 52775361 JYHTWVGHXOGMBX-IAQYHMDHSA-N 312.369 2.896 0 40 DFAB Cc1ccc(N2Cc3nc(N4CCCC4)ncc3C2=O)cc1C 57279627 KQQUKQAUBNPTIO-UHFFFAOYSA-N 308.385 2.854 0 40 DFAB CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccncc1 535181 RNOWPOHSNNVZCU-ZDUSSCGKSA-N 315.295 2.581 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)c1ccc2nc(C)c(C)nc2c1 53438611 OSAJSFFGWLVJAU-OAHLLOKOSA-N 313.401 2.888 0 40 DFAB COCCCn1c(SC)nnc1-c1ccc(OC)c(OC)c1 61312869 GQKVLBUADZLNGD-UHFFFAOYSA-N 323.418 2.721 0 40 DFAB COc1cccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)c1 24518608 HGORZDJZQXUYSD-SFHVURJKSA-N 310.397 2.805 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2cccc(-n3cnnn3)c2)c1 55897708 JGKPAITXGGJEBY-UHFFFAOYSA-N 307.357 2.556 0 40 DFAB CCN(Cc1cccs1)C(=O)c1ccc2c(c1)OCC(=O)N2 25760266 AXCNYPNTZVDVBO-UHFFFAOYSA-N 316.382 2.741 0 40 DFAB Cn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(=O)c2ccccc21 22234180 BHYZEEXLIVTWGF-UHFFFAOYSA-N 322.320 2.520 0 40 DFAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(CC)CC1 22030748 LFJDZSWKYXYRJY-IAGOWNOFSA-N 320.477 2.577 0 40 DFAB O=C(NCCc1cn2ccccc2n1)NCc1ccc(F)cc1 26288116 FSTXSSBMOUMFLA-UHFFFAOYSA-N 312.348 2.515 0 40 DFAB COCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20106840 OPWQKVVWTKITKZ-HNNXBMFYSA-N 304.434 2.685 0 40 DFAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(noc2C)C[C@]1(C)O 35323462 UNPRVHNJQVGCOX-ZACQAIPSSA-N 303.333 2.766 0 40 DFAB COCCCNC(=O)Nc1ccccc1-n1nc(C)cc1C 44209297 PXWPMZIJXSSSJC-UHFFFAOYSA-N 302.378 2.647 0 40 DFAB Cc1ccc(NC2=Nn3c(nnc3C(F)(F)F)SC2)cc1 27028787 UMZZKCBJNMBULW-UHFFFAOYSA-N 313.308 2.985 0 40 DFAB CS(=O)(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 57931281 XTINFOZQNGUCPP-OAHLLOKOSA-N 311.353 2.798 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)c1ccnc(-n2ccnc2)c1 58043361 LQBITEBCHTYUJF-ZDUSSCGKSA-N 310.357 2.611 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCc2ccccc2C1 44895605 XLOPOQHNLFJLPU-UHFFFAOYSA-N 317.392 3.000 0 40 DFAB Cc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1C 3363828 XYBVOSAZFBEJTL-INIZCTEOSA-N 300.402 2.858 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1nc2ccccc2s1 58392213 DDXRTJQXGIVOSD-UHFFFAOYSA-N 315.446 2.694 0 40 DFAB CCn1c(C)cc(/C=C2/SC(=O)N(CCOC)C2=O)c1C 409140674 HRCWUULTZBIIPY-UKTHLTGXSA-N 308.403 2.808 0 40 DFAB CCOc1ccccc1C(=O)NCc1ccc(NC(N)=O)cc1 12902837 ZBWOORHCXWZMIL-UHFFFAOYSA-N 313.357 2.506 0 40 DFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 13010241 VRYZDQMZCCVMOW-SNVBAGLBSA-N 312.316 2.772 0 40 DFAB O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCc2ccccc2C1 13320517 DZBVURCIHOWYTG-GMGZGELVSA-N 313.397 2.708 0 40 DFAB COC[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(C)o1 81009992 GRHGFPPFLHRHLJ-LBPRGKRZSA-N 313.361 2.703 0 40 DFAB Cc1ccccc1-n1nnc(C(=O)N[C@H](C)c2ccccc2)c1N 13655917 VQBFEQJSDUBBOV-CYBMUJFWSA-N 321.384 2.649 0 40 DFAB CC(C)[C@@H](C)N(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1 69465581 TUHPBORTSDTKST-LLVKDONJSA-N 316.401 2.543 0 40 DFAB C[C@H](NC(=O)N(C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C 69415063 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O=C(CN1CCCCCCC1=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 84393474 FHSASMSAZNXERP-HZPDHXFCSA-N 318.392 2.591 0 40 DFAB Cc1cc(=O)n(CC(=O)Nc2cccc3ccccc23)nc1C 72403110 VGAFBXDFZKTQQI-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccsc1 95420899 NAELKNJHMIUNSG-DZGCQCFKSA-N 312.504 2.607 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)[C@H]1CCCOC1 95440562 FYLFOPBDNWIDJR-ZDUSSCGKSA-N 311.809 2.824 0 40 DFAB COC(=O)c1ccccc1CC(=O)N[C@@H](C)Cc1cccs1 95456867 NQWJGLLXSMTSGW-LBPRGKRZSA-N 317.410 2.825 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccccc2)C1 84811841 LOAMOMANUDJZJM-KFWWJZLASA-N 308.447 2.693 0 40 DFAB C1C[C@H](c2noc(C3CC3)n2)N(Cc2nc(C3CC3)no2)C1 76047506 MGKHAPREGOAKKB-LLVKDONJSA-N 301.350 2.545 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc(C)cn2)C12CCCCC2 76022552 AUTBWPIEYINDSY-CVEARBPZSA-N 317.433 2.985 0 40 DFAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H]1C[C@H]1c1ccco1 95977902 DLYBNBLNYSXDFU-NEPJUHHUSA-N 306.362 2.768 0 40 DFAB Cn1ccc2c(C(=O)NCc3ccc4c(c3)OCO4)cccc21 79488917 UPJMTHMNMKSXHY-UHFFFAOYSA-N 308.337 2.837 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 67142148 JSYQGIYHELELDL-DLBZAZTESA-N 302.393 2.672 0 40 DFAB Cc1ccc(-n2c(NN)nc3ccccc3c2=O)c(Cl)c1 408712599 AGIGSBYOIVGRFS-UHFFFAOYSA-N 300.749 2.633 0 40 DFAB CCOC(=O)c1cnc(NCc2cc(C)nc(Cl)c2)nc1C 521398407 FMFOEFYCZBELEG-UHFFFAOYSA-N 320.780 2.931 0 40 DFAB Cc1cc(CCC(N)=O)cc([C@@H]2CCCN2Cc2ccccn2)n1 72360470 CIGLPKGXOHXCNA-SFHVURJKSA-N 324.428 2.540 0 40 DFAB COc1cccc(O[C@H](C)C(=O)NCc2ccccc2OC)c1 38755034 AVPPPAVCKHRWFY-CYBMUJFWSA-N 315.369 2.788 0 40 DFAB CO[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1 77634861 UYZDYIJTQBIURD-HOCLYGCPSA-N 321.323 2.502 0 40 DFAB O=C(c1cncs1)N1CCC(Oc2ccc(F)cc2)CC1 72351063 VTEXJPGHVYSZID-UHFFFAOYSA-N 306.362 2.966 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cc1 35971964 FSXREZAHSRHTHY-KRWDZBQOSA-N 302.374 2.591 0 40 DFAB COc1ccc(CC(=O)NCCOc2cccc(C)c2)cc1F 32744601 PPKYMHQMQLMRNG-UHFFFAOYSA-N 317.360 2.880 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 72239248 MYQORNPSQKIWKQ-UHFFFAOYSA-N 301.318 2.543 0 40 DFAB CCOC(=O)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 78612588 BBVAIZLGBRYHGQ-UHFFFAOYSA-N 302.296 2.880 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccco2)nc(N2CCCCC2)n1 72239795 LCFMJKBHYHGCKY-UHFFFAOYSA-N 314.389 2.641 0 40 DFAB O=C(NCCc1cccs1)c1ccc(N2CCCCC2)nn1 75172672 HEXYKJJNQRTLBB-UHFFFAOYSA-N 316.430 2.501 0 40 DFAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC[C@H]1CCCO1 224340444 VUYKMLZRRKUAKZ-DZGCQCFKSA-N 303.402 2.628 0 40 DFAB Cc1ccccc1NC(=O)NCc1nccc(N2CCCC2)n1 224153987 ZPXLEVKTWFBCMQ-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199416209 AJVYBTZYAYHHBI-GOSISDBHSA-N 311.381 2.882 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccoc1 195559781 BYMNIUWDKBXCAY-OCCSQVGLSA-N 308.378 2.525 0 40 DFAB COc1ccc2c(c1)C1(CC1)CN([C@@H](C(=O)O)c1cccnc1)C2 569856852 KGDDKGCNAZIPML-QGZVFWFLSA-N 324.380 2.763 0 40 DFAB CCc1cnc(CCNC(=O)[C@@H]2COc3ccccc32)s1 81203788 FHLHHTWBVALMOO-CYBMUJFWSA-N 302.399 2.540 0 40 DFAB Cc1cc(NCc2ccn(C(C)C)n2)nc(-c2cccnc2)n1 572079797 RMDQRIQCVITUKA-UHFFFAOYSA-N 308.389 3.237 0 40 DFAB CO[C@@]1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC[C@@H](C)C1 225633982 XHGXSDMGGHGYBY-PXAZEXFGSA-N 321.373 2.684 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 91954317 PXMOWOHDHSYUSS-QAPCUYQASA-N 317.429 2.928 0 40 DFAB COc1cc(S(=O)(=O)Nc2cc(C)ccn2)c(OC)cc1C 95946075 DEGQESWBBRMJIM-UHFFFAOYSA-N 322.386 2.516 0 40 DFAB O=C1CCC(=O)N1Cc1csc(Nc2cc(F)ccc2F)n1 96124535 GOHUNIVXWVSAEI-UHFFFAOYSA-N 323.324 2.814 0 40 DFAB COC(=O)Cc1cccc(NC(=O)NCc2cccs2)c1 96476208 BUIAKEOPOKTKOY-UHFFFAOYSA-N 304.371 2.785 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)N(C)CCc1ccccn1 96461063 XEUPZVROOLHRHP-CYBMUJFWSA-N 301.415 2.658 0 40 DFAB CCOCc1ncn2c1CN(C(=O)Nc1cccc(F)c1)CC2 96260158 DOCRBTMUYRMIBK-UHFFFAOYSA-N 318.352 2.606 0 40 DFAB Cc1ccccc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 95426858 DDPSMEDNWZMYRI-DOTOQJQBSA-N 320.458 2.849 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CN1C 96220759 YZSNHHGFWKPQPM-QGZVFWFLSA-N 320.477 2.836 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cc1 96123350 MEAVWWKVYVCLSQ-UHFFFAOYSA-N 314.389 2.553 0 40 DFAB O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cnn[nH]1 96426841 HJYBILAFMMHCJX-UHFFFAOYSA-N 310.279 2.633 0 40 DFAB CC(C)CN1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]21 96244866 OXPPVJLNVOEJFX-ZBFHGGJFSA-N 306.837 2.681 0 40 DFAB CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 96450612 IZFVNPLLLTVGEL-GJZGRUSLSA-N 318.442 2.975 0 40 DFAB Cc1nccn1CCCNC(=O)NCCOC1CCCCCC1 96411422 CEPNPTFZRQYUID-UHFFFAOYSA-N 322.453 2.620 0 40 DFAB C[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccncc1 97370675 JKPMJGINEPFLLL-HNNXBMFYSA-N 309.413 2.928 0 40 DFAB COc1cccc(Cl)c1CC(=O)N1CC[C@]2(CCOC2)C1 97378930 FUBFDROZFHXIOB-INIZCTEOSA-N 309.793 2.530 0 40 DFAB Cc1nn(C)c(C)c1-c1noc([C@@H](C)NC(=O)OC(C)(C)C)n1 95095293 FWNDFOGBOZWMHM-SECBINFHSA-N 321.381 2.673 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CCOc1ccccc1 245237768 VTZICEVSZGJKPF-SOLBZPMBSA-N 318.461 2.938 0 40 DFAB Cc1nc(CN2CC3(CO[C@@H](Cc4ccc(F)cc4)C3)C2)co1 257232178 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CCCN(CCC)CC(=O)Nc1cccc(N2CCCC2=O)c1 36744645 TXMKLRMEWBYJPA-UHFFFAOYSA-N 317.433 2.874 0 40 DFAB O=S(=O)(c1cccc(F)c1Br)C(F)(F)F 604221711 YUSLKELZFRSSFY-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 333080 QEUQVGFKMXYPPU-WJDWOHSUSA-N 307.305 2.956 0 40 DFAB COc1ccc(-n2ccnc2SCC(=O)NCC(C)C)cc1 5262929 FYVVGXKGKLXARB-UHFFFAOYSA-N 319.430 2.745 0 40 DFAB CC[C@H](C)NC(=O)COc1c(C(=O)O)ccc2ccccc12 13319508 XGRPOBDZVRWHIB-NSHDSACASA-N 301.342 2.832 0 40 DFAB Cc1cc(O)nc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19118134 PBTXQECHYJJUNC-CQSZACIVSA-N 315.348 2.536 0 40 DFAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC2CCCC2)n1 19457440 UJCUFLYSKWHCPL-JTQLQIEISA-N 321.812 2.778 0 40 DFAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)CC2CCCC2)nn1C 19709053 DOZRQYYPPJPIEL-KRWDZBQOSA-N 318.465 2.726 0 40 DFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1Cl 8477187 XJANYXIXCXVXSC-FMIVXFBMSA-N 318.760 2.744 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1 14504550 MHJLKHNHGMUAPQ-SJCJKPOMSA-N 316.353 2.983 0 40 DFAB endogenous,in-man Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2c2ccccn2)n1 1848355374 ZCAWTPWWHPUUJA-OAHLLOKOSA-N 306.373 2.912 0 40 DFAB COc1cc(OC)cc(C(=O)N2CCn3cccc3[C@@H]2C)c1 29379085 YPGLAMVYAOICQP-LBPRGKRZSA-N 300.358 2.722 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565548989 KPUOZPJOQODCKQ-OVWQWFNUSA-N 309.450 2.857 0 40 DFAB Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccccn1 1565543529 RCEPNXMJCSULCN-OALUTQOASA-N 321.424 2.765 0 40 DFAB Cc1cc(NC(=O)Cc2ccc3c(c2)OCO3)n(C(C)C)n1 13657070 VCIGQHJVSQZMHZ-UHFFFAOYSA-N 301.346 2.682 0 40 DFAB O=C(O)CCC(=O)Nc1nnc(SCc2ccccc2)s1 26439459 FKCFZJQZLDXSNN-UHFFFAOYSA-N 323.399 2.634 0 40 DFAB CN1Cc2sc3nc4n(c(=O)c3c2CC1(C)C)CCCS4 20813457 WKAZAFSSLPNCMN-UHFFFAOYSA-N 321.471 2.720 0 40 DFAB O=C(CN1CCC(Cc2ccccc2)CC1)NCC(F)(F)F 40161476 HRJLBJCKRQRKMO-UHFFFAOYSA-N 314.351 2.620 0 40 DFAB CSc1nc(N)c(C(=O)Nc2ccc(N(C)C)cc2)s1 43485 NYXKTVWZYADKAU-UHFFFAOYSA-N 308.432 2.766 0 40 DFAB COc1cc(NC(=O)CSCC(=O)O)c(Cl)cc1Cl 1397918 JFBGBWPJTSVHAY-UHFFFAOYSA-N 324.185 2.758 0 40 DFAB COC(=O)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106521428 QOUCFMPQYSYGES-BPUTZDHNSA-N 301.386 2.916 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 1361468 DNNAQUOVSPCUMX-CQSZACIVSA-N 304.438 2.615 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 79815988 UYFHMORBPWOQCH-VHDGCEQUSA-N 306.410 2.762 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)o1 3439845 CMXMOLJVHYXMAL-HNNXBMFYSA-N 313.353 2.939 0 40 DFAB CCOc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 7376525 OKNJTPCTMBVAPV-UHFFFAOYSA-N 323.389 2.745 0 40 DFAB Cc1ccccc1-n1nc(CSc2nnc(N)s2)cc1O 10157390 SXWCMUYPYDYRNE-UHFFFAOYSA-N 319.415 2.612 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(C)c2C)no1 10028216 WHPUMNQKCVMPCZ-LBPRGKRZSA-N 302.330 2.784 0 40 DFAB C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1csc2ccccc12 95381550 NKCMGXNHWOJBFR-GHMZBOCLSA-N 300.387 2.931 0 40 DFAB O=C(Nc1nc[nH]n1)c1ccc(SCc2cscn2)cc1 23140965 RTPBVQQBYSBALK-UHFFFAOYSA-N 317.399 2.806 0 40 DFAB Cc1nc(CCNC(=O)c2ccc(Br)o2)cs1 22527113 NWGZANSVNNBPAY-UHFFFAOYSA-N 315.192 2.780 0 40 DFAB O=C(COCC1CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 60613845 CCQBPDIRCSQLLP-AWEZNQCLSA-N 313.401 2.696 0 40 DFAB CC(C)NC(=O)[C@H]1CCC[C@]12CCN(Cc1cccnc1)C2 108533833 HNVNPJDIOIOKQM-SJLPKXTDSA-N 301.434 2.598 0 40 DFAB O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(F)cc2)C1=O 37572900 XENMQGGHKXNRAT-OAHLLOKOSA-N 316.307 2.956 0 40 DFAB COc1ccc(-c2cc3ncnc(N(C)CCO)c3s2)cc1 12812294 GBLWELXMMRSFOX-UHFFFAOYSA-N 315.398 2.795 0 40 DFAB Cc1cccc(C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 22027978 ZYACGCGKBIVENP-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB CC1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 13013055 SBGNBFFHMUUMDJ-JXQTWKCFSA-N 304.390 2.704 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 9367127 GYYNOPPTQLFPMW-HNNXBMFYSA-N 324.384 2.768 0 40 DFAB COC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 4027934 HUEQCELAOKWRNB-SNVBAGLBSA-N 302.326 2.530 0 40 DFAB biogenic COc1ccc2cc(C(=O)N(C[C@H]3CCOC3)C3CC3)[nH]c2c1 64319480 QBGLPQPQKWZOES-GFCCVEGCSA-N 314.385 2.818 0 40 DFAB CCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C 5353277 GFKWLNWMSMXLBM-LLVKDONJSA-N 308.447 2.907 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2CC 6419140 FBRKJRIPNIJZRZ-UHFFFAOYSA-N 313.448 2.749 0 40 DFAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccccn1 4663555 BNGSHIWXCHMNSJ-OAHLLOKOSA-N 319.449 2.811 0 40 DFAB Cn1cc(/C=C/c2cc(C(=O)O)ncn2)c(-c2cccs2)n1 93902420 CZYUCOLWQRDZLS-SNAWJCMRSA-N 312.354 2.807 0 40 DFAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccccc3)n2)c1 6747738 IUSVCFSARFAROK-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB O=C(COC(=O)Cc1cccs1)NCc1ccccc1Cl 5786788 PHZVQPKQLXKKOF-UHFFFAOYSA-N 323.801 2.804 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)COc2ccccc2C=O)no1 66608380 AXIRMLVFQRZDIP-HNNXBMFYSA-N 314.341 2.538 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1csc(C(C)C)n1 67027532 ATGJUUAPRXJYPT-GFCCVEGCSA-N 323.418 2.752 0 40 DFAB COc1cccc(Cc2nnc(NC(=O)N3CCCC3)s2)c1 71886083 PLFCBQMTQCCNRI-UHFFFAOYSA-N 318.402 2.765 0 40 DFAB Cc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)c(C)o1 9645053 INAMXIXXICRILD-UHFFFAOYSA-N 320.345 2.977 0 40 DFAB CCOCC1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 71904346 OORIEQUNKRMVHS-KRWDZBQOSA-N 320.408 2.680 0 40 DFAB CCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCOC3)ccc21 91154548 VNHBBEQDBBQLMP-AWEZNQCLSA-N 316.401 2.741 0 40 DFAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)c(OC)c1 8114476 YMQZKFSESABKLR-ZDUSSCGKSA-N 313.353 2.894 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(F)c(F)c1 69568680 CBJTYPDSKNSQQO-UHFFFAOYSA-N 320.295 2.585 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc4c(c3)COC4)C2)c1 69617029 ICZMGQMYCDZDPF-KRWDZBQOSA-N 311.385 2.699 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2C)c(C)c1 69737967 MBSQFWWFAAWSBC-LNSITVRQSA-N 318.442 2.799 0 40 DFAB Cc1noc(Cl)c1CCC(=O)NCCCCn1ccnc1C 72295759 WGLZTPGWQHSTOG-UHFFFAOYSA-N 324.812 2.671 0 40 DFAB CN(CC(=O)N1CCC[C@@H]1c1ccc[nH]1)C(=O)OC(C)(C)C 69896962 FXEKEOPMYDRRQG-CYBMUJFWSA-N 307.394 2.545 0 40 DFAB NC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 72293698 AYLOVFBWKAQALV-NEPJUHHUSA-N 320.801 2.786 0 40 DFAB CC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1 8762825 LZYPZPWKRGXFFH-KRWDZBQOSA-N 324.428 2.621 0 40 DFAB O=C1CCc2ccc(NC(=O)c3cc(Cl)ccn3)cc2N1 72295835 IMIINTOKNKEFHG-UHFFFAOYSA-N 301.733 2.872 0 40 DFAB CNc1snc(C)c1C(=O)OCC(=O)c1ccc(OC)cc1 8884095 MEARLWXCQXWLFB-UHFFFAOYSA-N 320.370 2.542 0 40 DFAB CC[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1cnn(CC)c1 72305861 RACNIHFJRSLZDQ-LLVKDONJSA-N 320.422 2.905 0 40 DFAB CC(C)c1cccc(S(=O)(=O)Nc2nc3ccccn3n2)c1 95944092 ISSXXDGPHLFCMC-UHFFFAOYSA-N 316.386 2.654 0 40 DFAB CC(=O)c1csc(C(=O)NCCOc2ccc(Cl)cn2)c1 89291954 ZVJRBECKIXCNFF-UHFFFAOYSA-N 324.789 2.808 0 40 DFAB Cc1nccn1CCCCNC(=O)NC[C@@]1(C)CCCS1 89735612 JIPYAGZKIRQDCI-OAHLLOKOSA-N 310.467 2.557 0 40 DFAB Cc1nc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)no1 89718099 QAXDGPJMNHRBSC-JTQLQIEISA-N 303.337 2.816 0 40 DFAB CC1(C)CCCC[C@H]1NC(=O)NCCCCn1ccccc1=O 89919312 OEFAUTORHHTFTE-OAHLLOKOSA-N 319.449 2.897 0 40 DFAB CC(C)C[C@@H](C)OCCC(=O)NCc1ccc2c(N)noc2c1 521396245 BDZFMQFGNZCLCC-GFCCVEGCSA-N 319.405 2.868 0 40 DFAB C[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccsc1 73371459 OSWPYDZIBSSAEM-OCCSQVGLSA-N 320.458 2.616 0 40 DFAB O=C(NCc1ccccc1-n1cccn1)Nc1ccncc1F 184170261 UPAMIERTMSPPHX-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB COCc1nn2c(C)c(C(=O)O)cnc2c1-c1ccc(F)cc1 71283894 VIXWYEIRTLIIRN-UHFFFAOYSA-N 315.304 2.688 0 40 DFAB COc1ccsc1C(=O)Nc1ccccc1CN(C)C(C)=O 78556977 MJFJUBZMUCJGLA-UHFFFAOYSA-N 318.398 2.987 0 40 DFAB C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203960 KAWJOCDWQLGMAB-ZIAGYGMSSA-N 320.437 2.774 0 40 DFAB COC(=O)CCCCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 68120695 XXTHCZQPLJYYGP-UHFFFAOYSA-N 322.792 2.823 0 40 DFAB C[C@H](C(=O)OS(=O)(=O)O)c1ccc(-c2ccccc2)c(F)c1 44136327 MTGSLULZVAGEDI-JTQLQIEISA-N 324.329 2.942 0 40 DFAB in-vitro Cc1cc(S(=O)(=O)N[C@H](C)COc2ccccc2)ccc1F 225609953 GLOQLGUINGIXGF-CYBMUJFWSA-N 323.389 2.880 0 40 DFAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1 48494178 SOVLMPCPGAOHEU-UHFFFAOYSA-N 306.671 2.576 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68646381 LGBVOJXRTKJTFX-QWRGUYRKSA-N 322.327 2.551 0 40 DFAB CCn1nc(C)c(CNC2CCN(c3nccs3)CC2)c1C 225570175 QDXPLGLMBQPCHZ-UHFFFAOYSA-N 319.478 2.735 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C 225738558 UMTFGVAVCWNDMW-BFHYXJOUSA-N 309.431 2.779 0 40 DFAB O=c1cc(Cn2ccnc2)c2cc(Br)ccc2o1 85399429 IFFGFMDWGWHUHK-UHFFFAOYSA-N 305.131 2.800 0 40 DFAB O=C(CCc1ccccc1N1CCOCC1)Nc1cnsc1 1552307228 SUHHYTGETXQPIW-UHFFFAOYSA-N 317.414 2.551 0 40 DFAB O=C(Nc1ccnn1C1CCCC1)c1ccc(-n2ccnc2)nc1 69493613 IFSSALQESVTNTF-UHFFFAOYSA-N 322.372 2.831 0 40 DFAB CCONC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 69516780 WXJXYSOJMMZYOJ-UHFFFAOYSA-N 316.695 2.540 0 40 DFAB CCCCCC[C@@](C)(NC(=O)C1CCOCC1)C(=O)OCC 69622225 DDWSQMRYBZGOGX-QGZVFWFLSA-N 313.438 2.821 0 40 DFAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1 49170586 JSUKEUOHDAIKRC-NSHDSACASA-N 313.336 2.588 0 40 DFAB biogenic,in-vitro O[C@H](CN[C@H](c1ccc(F)cc1)C1CCC1)Cn1cccn1 69973247 YIWWDDOLVNTKSC-SJORKVTESA-N 303.381 2.514 0 40 DFAB C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 195542947 RGPVCBHCJASQMU-YPMHNXCESA-N 314.351 2.834 0 40 DFAB Cc1nnsc1CNC(=O)N1CCc2cccc(Cl)c2C1 334094975 QVDMMHKXZSFUKF-UHFFFAOYSA-N 322.821 2.768 0 40 DFAB O=C(Cc1cccc(C(=O)O)c1)NCC1(c2ccccc2)CC1 97231566 ZZROJBIDIKTSLN-UHFFFAOYSA-N 309.365 2.775 0 40 DFAB COC(=O)N1CCC[C@@H](N[C@H](C)CCc2ccc(O)cc2)C1 97095435 QWTCUKHDXQVNMM-UKRRQHHQSA-N 306.406 2.534 0 40 DFAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1ccco1)CC2 96197762 IAQXQTAFQRZQTQ-INIZCTEOSA-N 301.390 2.539 0 40 DFAB O=C(c1ccccc1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072485 ZSIDXVMINHIEGO-PKOBYXMFSA-N 324.380 2.534 0 40 DFAB c1cc2n(n1)[C@H](CCN1CCCC1)CN(Cc1ccsc1)C2 247947838 IZBWUVGXTMTILK-QGZVFWFLSA-N 316.474 2.987 0 40 DFAB CN1CCC[C@H](Cc2ccc(-c3cncc(C(=O)O)c3)nc2)C1 257273723 NHWXNZCZLAKRIN-CQSZACIVSA-N 311.385 2.726 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nc(C3CC3)no2)n1 70006096 ZCQOBOISZVPGLL-HNNXBMFYSA-N 315.421 2.815 0 40 DFAB O=C(NC[C@H](O)c1cccc(Br)c1)c1ccoc1 252503078 UYBRPYOTSLAGSA-LBPRGKRZSA-N 310.147 2.506 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H]1c1cnc(-c2ncc[nH]2)cn1 257342913 ZQPBXFYUMCEGAT-INIZCTEOSA-N 319.368 2.844 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCCC[C@@H]1Cn1cccn1 70041000 BNNDOJMTMMYPFA-SWLSCSKDSA-N 316.405 2.673 0 40 DFAB CC(C)OC[C@@H](O)CN(C)Cc1cc(Br)cs1 70194885 KAJHFTOOLDYOPZ-NSHDSACASA-N 322.268 2.728 0 40 DFAB O=C(c1cc[nH]n1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257213089 CGDJXALYJPHIJG-ZDUSSCGKSA-N 306.369 2.663 0 40 DFAB CCN1CCC(N2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 257232084 GJINXLOYRDMVGR-QGZVFWFLSA-N 302.466 2.769 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)c2c(C)oc3c2CCCC3)[C@H]1O 257204839 AWMDRZCVYIMHEM-FRFSOERESA-N 321.417 2.515 0 40 DFAB Fc1ccc2nc(N3CCN(CC(F)(F)F)CC3)oc2c1 891644641 YPRFVISIFDARNZ-UHFFFAOYSA-N 303.259 2.651 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC(COc2cccnc2)C1 1775995698 FHGUKYZDWBSCIN-UHFFFAOYSA-N 316.788 2.815 0 40 DFAB O=C(CN1CCCCCC1=O)NCC1(c2ccccc2)CCC1 54995888 HAIZZINUXBFNHV-UHFFFAOYSA-N 314.429 2.627 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)N1CCCC1 55471417 OLPUDSLFQLLYDF-AWEZNQCLSA-N 312.417 2.912 0 40 DFAB O=C(O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1Cl 95917892 JFTRMWLFZIDECZ-UHFFFAOYSA-N 315.712 2.834 0 40 DFAB COc1ccc(CNC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1OC 100243529 ZNNXFAXFDPBFSV-GKVPXEHWSA-N 317.429 2.877 0 40 DFAB C[C@@H](CNC(=O)Cc1ccccc1O)COCc1ccccc1 78394373 KRKCGUKTBBGJJW-HNNXBMFYSA-N 313.397 2.904 0 40 DFAB CCSc1nnc(NC(=O)Cc2cccc(OC)c2)s1 5443207 NZKDESBHBMFOKA-UHFFFAOYSA-N 309.416 2.840 0 40 DFAB CC(C)C(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 19086241 HYCDNVMZCASXNO-HNNXBMFYSA-N 324.384 2.555 0 40 DFAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)c1cncnc1 19338126 DLIZPPYBFVTEPX-OAHLLOKOSA-N 310.382 2.647 0 40 DFAB Cc1nn(C)cc1CN1CCN(CC2(c3ccccc3)CC2)CC1 19583875 DNSUMRCEMFKXPL-UHFFFAOYSA-N 324.472 2.578 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 1889089376 OLRQVTGKYYHXKO-NSHDSACASA-N 324.306 2.857 0 40 DFAB COC(=O)c1cc(CNC(=O)c2cccc(F)c2)ccc1OC 18060841 MAOZQAXMHOHUTJ-UHFFFAOYSA-N 317.316 2.551 0 40 DFAB NC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 20901735 MHAAXGXNKMVFNJ-UHFFFAOYSA-N 320.458 2.745 0 40 DFAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1cccc(Cl)c1 4279993 USZHPZVRHXMKHP-CYBMUJFWSA-N 322.748 2.505 0 40 DFAB Cc1ccc2ncc(C(=O)Nc3ccc(Cl)cc3)c(=O)n2c1 9830064 JVFGESXVEHCQGO-UHFFFAOYSA-N 313.744 2.909 0 40 DFAB Cc1c(C(=O)N(C)Cc2ccncc2)cnn1-c1ccccc1 40072662 CEAMROJRLREUBG-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O 30377719 UQNAUYGTLUOQDO-IAQYHMDHSA-N 316.401 2.545 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)Cc2ccccc2F)no1 40528957 LFZPLNXMUSDOTE-UHFFFAOYSA-N 312.366 2.621 0 40 DFAB Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2C)c1 422179 VUXWARPDHDDDMA-UHFFFAOYSA-N 305.403 2.834 0 40 DFAB COc1ccc(Cl)cc1CN1c2ccccc2C[C@H]1C(N)=O 101547751 YRWFMYMNEUXXKS-HNNXBMFYSA-N 316.788 2.765 0 40 DFAB COc1ccc([C@H]2CCCN2Cc2nnc(C)o2)c(OC)c1 32751533 JEIRKERGNYKBDM-CQSZACIVSA-N 303.362 2.732 0 40 DFAB O=c1n(CCSCc2cccc(F)c2)nc2ccccn12 32808989 ZVDYBZAMZKSNJG-UHFFFAOYSA-N 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O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1cccc(F)c1C(=O)O 899541374 VSYPJRCADXKRQJ-MFKMUULPSA-N 307.321 2.810 0 40 DFAB CCn1ccnc1SCCn1cc(Br)cn1 78875047 RZGUTZLRDCFZDB-UHFFFAOYSA-N 301.213 2.654 0 40 DFAB CCOC(=O)[C@@H](C)NC(=O)N(C)C12CC3CC(CC(C3)C1)C2 5830661 BQMZASIEUOBBES-SFCYXTAJSA-N 308.422 2.548 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC2CCCCC2)cc1 12770109 MEXKKCCWCVRQQM-UHFFFAOYSA-N 324.446 2.846 0 40 DFAB COC[C@@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1Cl 15299637 DWWIWVJTFKASAS-SNVBAGLBSA-N 319.232 2.576 0 40 DFAB CC(C)c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)CC2 19453777 YSPKLJFFJBYFIZ-UHFFFAOYSA-N 315.392 2.633 0 40 DFAB COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c(C)c1 152698323 DCOOSZAVWMQSBM-UHFFFAOYSA-N 320.389 2.999 0 40 DFAB Cc1cc(CN2CCOC[C@@H]2CC(=O)c2cccs2)no1 154402686 DXVIJAMMZDIQQH-ZDUSSCGKSA-N 306.387 2.518 0 40 DFAB CCOC(=O)c1cccc(NC(=O)c2cccnc2OCC)c1 26783632 VTGITPPIMPOGED-UHFFFAOYSA-N 314.341 2.909 0 40 DFAB Cc1ccc2nc(COC(=O)c3ccc(C)s3)cc(=O)n2c1 5426432 RFBWXGVYLHYUBS-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(C)n1 1888881822 XFINBIHMYHWMOW-UHFFFAOYSA-N 319.412 2.968 0 40 DFAB O=c1c2nnc(SCC3CC3)n2ccn1-c1ccc(F)cc1 1888906744 ITGNDLTVHPTTHK-UHFFFAOYSA-N 316.361 2.521 0 40 DFAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCOCC1 21306569 BTFGWKAWEUUJMI-UHFFFAOYSA-N 320.776 2.786 0 40 DFAB COc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cc(C)on1 28886934 KKIGTTYVSKQQDH-STQMWFEESA-N 317.389 2.978 0 40 DFAB COc1ccc([C@@H](O)CNC(=O)CCc2ccc(C)cc2)cc1 31572081 GQGGJVTYDDVTPV-SFHVURJKSA-N 313.397 2.786 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 4941977 KXUTWCLDHSSWFN-UHFFFAOYSA-N 310.419 2.601 0 40 DFAB C[C@H]1CC[C@H](C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)CC1 2055819268 CWAXXUGAFXYMAI-PWDMQXDWSA-N 318.461 2.720 0 40 DFAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCCC2)c1 4862998 WUJMCOMZHKWKPI-LGMDPLHJSA-N 324.380 2.981 0 40 DFAB COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 25539886 GRGYFXDAOZBGPF-UHFFFAOYSA-N 322.412 2.894 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@@H]1C 533964 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O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 107359590 NJLLBWRGJYAQCZ-YTQUADARSA-N 312.457 2.713 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@@H]1CCCO1 107498752 SXFVYIUEOBLQNX-VSZNYVQBSA-N 315.413 2.762 0 40 DFAB Cc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)c(C)n1C1CC1 95399408 UPVNSSSAHJBWJK-UHFFFAOYSA-N 322.372 2.668 0 40 DFAB c1ccc(-n2cnc(Sc3ccc4nccnc4n3)n2)cc1 95395435 IDUNWQTXCOWGIH-UHFFFAOYSA-N 306.354 2.757 0 40 DFAB Cn1cc(CCOC(=O)c2csc(-c3ccccc3)n2)cn1 95397429 MYQMIJKWTYBIBE-UHFFFAOYSA-N 313.382 2.943 0 40 DFAB Cc1cccc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)n1 95970562 CRVFHODLINMBFJ-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cccs1 8392746 BKQNWXYSFYQILG-UHFFFAOYSA-N 304.371 2.896 0 40 DFAB Cc1noc([C@@H](C)Nc2ccc(CC(=O)N3CCCC3)cc2)n1 27026887 CEWYQFJGXWCGBD-GFCCVEGCSA-N 314.389 2.716 0 40 DFAB Cc1cccc(OC[C@H](O)CN[C@@H](C)c2cncc(F)c2)c1 95420806 ULMQETKSWYHRPR-XJKSGUPXSA-N 304.365 2.620 0 40 DFAB CC[C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)c1c(C)noc1C 58229197 TVVBUVKMPBNAKT-KKUMJFAQSA-N 306.406 2.955 0 40 DFAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2n1CCC2 44934522 QIMWCTVJVTZTAY-QMMMGPOBSA-N 308.744 2.508 0 40 DFAB CCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)ns1 27794507 GKVCQICTWCHRGH-UHFFFAOYSA-N 307.375 2.961 0 40 DFAB COCC(=O)NCc1ccccc1CN(C)C1CCCCC1 58324744 ZPICAEDRNIFXLH-UHFFFAOYSA-N 304.434 2.714 0 40 DFAB CCCC(C)(C)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 58330440 XUTYRDHIENFTNT-UHFFFAOYSA-N 315.417 2.941 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)OC[C@@H]1C 45525233 IMLWOHYUMKMZGT-QWRGUYRKSA-N 302.349 2.932 0 40 DFAB CCc1c(C)[nH]c2nc(SCc3ccccc3)nn2c1=O 101139289 KRTTYJKDINZFOT-UHFFFAOYSA-N 300.387 2.581 0 40 DFAB Cc1csc(C(C)(C)NC(=O)NCCC2=CCOCC2)n1 95437054 WJBACLFOJOYJSB-UHFFFAOYSA-N 309.435 2.723 0 40 DFAB O=C(NCc1ccco1)c1ccc(OC[C@H]2CCCO2)cc1 2658277 AEGMFOKZDPPXCT-MRXNPFEDSA-N 301.342 2.767 0 40 DFAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)C1CC1 51878932 YFCYRCCOBVJVHC-UHFFFAOYSA-N 301.415 2.791 0 40 DFAB CCc1ccc(NC(=O)CS(=O)(=O)c2ccccc2F)cc1 46702644 CPPDJRYEFXATJT-UHFFFAOYSA-N 321.373 2.801 0 40 DFAB CC[C@H](C)NC[C@H](O)COc1ccc(Br)cc1 26781648 ODEHXRGTXBEZPN-JQWIXIFHSA-N 302.212 2.577 0 40 DFAB Cc1snnc1C(=O)NCc1ccccc1C(F)(F)F 28575714 CEJLWJBCHIHIOT-UHFFFAOYSA-N 301.293 2.795 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@H](O)CNC[C@@H]2CCCO2)c1 9970632 PVJNDXXKEPSILW-CVEARBPZSA-N 307.434 2.627 0 40 DFAB O=C(COc1ccc2ccccc2c1)NCCc1cccnc1 12526982 IGLISWPOXHPILY-UHFFFAOYSA-N 306.365 2.973 0 40 DFAB COCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 12539633 KSIKBUAEKUFRHQ-LBPRGKRZSA-N 313.357 2.767 0 40 DFAB C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc2c(s1)CCCC2 95405572 XHICXMLKHQNNGD-IAQYHMDHSA-N 316.426 2.933 0 40 DFAB O=c1c2ccsc2ncn1C[C@H](O)c1ccccc1Cl 48367684 JRWYSWGRSYVQHI-LBPRGKRZSA-N 306.774 2.845 0 40 DFAB O=C(CCCNC(=O)OCc1ccccc1)Nc1ccccn1 48385193 UXYYSTPBTUEZSK-UHFFFAOYSA-N 313.357 2.727 0 40 DFAB COCc1cc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)ncn1 119140044 DBLOTMSNGNZHTL-BLLLJJGKSA-N 312.373 2.848 0 40 DFAB CN1CCN(c2ccc(Cl)cc2NC(=O)C2CCC2)CC1 3562830 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PBQBMPDPNPRDKF-BXUZGUMPSA-N 324.446 2.563 0 40 DFAB COc1ccc(C(C)=O)cc1CN1C(=O)CC2(CCCC2)C1=O 8882986 NTNOWLBNTCPUQC-UHFFFAOYSA-N 315.369 2.717 0 40 DFAB Cc1ncc(/C=C/C(=O)N(CC(F)(F)F)[C@H]2CCOC2)s1 84290563 OAHXKDBZNQLLNK-PBKGFPTLSA-N 320.336 2.645 0 40 DFAB CC(=O)N1CCN(Cc2cnc(C3CCC3)s2)C(C)(C)C1 97139180 HHTNGIAXIMCMJM-UHFFFAOYSA-N 307.463 2.853 0 40 DFAB CC[C@@H](NC(=O)Cn1ccc2ccccc21)C1CCOCC1 72307195 IDRVYOXPNPOGKJ-MRXNPFEDSA-N 300.402 2.963 0 40 DFAB COc1ncccc1NC(=O)NC[C@@H](C)c1nc(C)cs1 96014217 MEAHFKVMBQADMS-SECBINFHSA-N 306.391 2.780 0 40 DFAB Cc1cc2sc(NC(=O)N3CC[C@@H]([C@@H](C)O)C3)nc2s1 96010593 OCLLSNFPBFCQOC-RKDXNWHRSA-N 311.432 2.901 0 40 DFAB c1cnc2c(CNCCCOC[C@@H]3CCCO3)cccc2c1 84493876 UXGGRQLSBGJNBE-KRWDZBQOSA-N 300.402 2.910 0 40 DFAB COc1cccc(-n2nnc(C(=O)Nc3ccccc3O)c2C)c1 89556327 GWHCOVITTNBUQC-UHFFFAOYSA-N 324.340 2.542 0 40 DFAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H]1c1ccc[nH]1 75125807 DVCPBEOHOTUTPC-HNNXBMFYSA-N 323.352 2.940 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)NCc2cc(C)on2)C12CCCC2 76084991 RSULMHSECDTCAS-KBPBESRZSA-N 307.394 2.520 0 40 DFAB CCOc1nnc(CN2CCC[C@@H]2c2noc(C3CC3)n2)s1 76047466 CVQRAXVVIMCRDX-SNVBAGLBSA-N 321.406 2.534 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408656896 HUOCUHCPAACZKO-XZMAXGJCSA-N 305.761 2.785 0 40 DFAB CC(C)COC[C@@H](C)NC(=O)c1ccccc1-c1cncnc1 78103352 SYOWOENVFZXEFZ-CQSZACIVSA-N 313.401 2.935 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1 129450033 IVKLWLGLFIQPCD-CABCVRRESA-N 321.442 2.630 0 40 DFAB Cc1cccc2c1ccn2CC(=O)N=c1[nH]c2ccccc2[nH]1 72403156 OBDNAHGWCCETNM-UHFFFAOYSA-N 304.353 2.887 0 40 DFAB C[C@](O)(CNc1ncc(Br)cn1)c1ccsc1 77236464 XDLUWEHCNPRILD-NSHDSACASA-N 314.208 2.620 0 40 DFAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2C(N)=O)cc1 67960703 MKKAKKFUPMBRGU-UHFFFAOYSA-N 317.776 2.798 0 40 DFAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c12 225476776 AEBROBLLLUWRBN-LLVKDONJSA-N 310.357 2.800 0 40 DFAB CCc1ccc(Nc2ccc(C(=O)NCCOC)cc2N)cc1 225420617 COAHHQRCDOQXQQ-UHFFFAOYSA-N 313.401 2.951 0 40 DFAB COc1ccccc1NC(=O)Nc1c(C)nc(N(C)C)nc1C 224297850 ASWRTPUCCJAWSK-UHFFFAOYSA-N 315.377 2.812 0 40 DFAB COc1ncc(CN2[C@@H](C)CC(C(=O)O)C[C@@H]2C)cc1Cl 530174504 KMQPYFJCBJXFBY-UWVGGRQHSA-N 312.797 2.817 0 40 DFAB C[C@@H](O)c1ccc(CCNC(=O)NCc2ccccc2)s1 225690322 BITCMUZKBPHHNR-GFCCVEGCSA-N 304.415 2.843 0 40 DFAB COc1ccc2nc(S[C@H](C)c3nnnn3C3CC3)[nH]c2c1 191432181 CGWZCEMKJIYKJR-MRVPVSSYSA-N 316.390 2.746 0 40 DFAB CCCCNC(=O)N1CCC(c2nc(CC(C)C)no2)CC1 41123121 IDCHPGIAAOPQIZ-UHFFFAOYSA-N 308.426 2.957 0 40 DFAB O=C(CCc1ccncc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 69631993 IGBFFIIDPFZGMD-HZPDHXFCSA-N 320.458 2.527 0 40 DFAB CN(C)C(=O)c1cccc(CSC[C@H](O)C(F)(F)F)c1 191115492 MMTHZZQCEDKOOO-NSHDSACASA-N 307.337 2.545 0 40 DFAB COC(=O)c1ccc(Cl)cc1OCc1nnc(C2CC2)o1 96428837 OALQVIMSUZBNSU-UHFFFAOYSA-N 308.721 2.966 0 40 DFAB O=C(NCc1ccccc1)N1CCc2ncnc(C3CC3)c2CC1 96255147 GANDWXFWZNCKLX-UHFFFAOYSA-N 322.412 2.664 0 40 DFAB C[C@@H](NC(=O)C(=O)NCc1cccc(Cl)c1)c1ccccc1 339381106 ZEWNSINDBXPVJV-GFCCVEGCSA-N 316.788 2.834 0 40 DFAB Cn1ccnc1SCC(=O)Nc1ccc(C(F)(F)F)cn1 95481743 AGDIOYYELNAPCN-UHFFFAOYSA-N 316.308 2.565 0 40 DFAB Nc1cc(Br)ccc1C(=O)Nc1ccccc1O 94046355 YONXQYNEOLXNBZ-UHFFFAOYSA-N 307.147 2.989 0 40 DFAB CNc1cc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)ccn1 257260635 LDRRUAUEVKRKAV-OAHLLOKOSA-N 323.462 2.923 0 40 DFAB CCc1ccc(CC)c(NC(=O)N(CCO)CC(F)F)c1 252487435 HVTJCONIAHYLBD-UHFFFAOYSA-N 300.349 2.903 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cc(Cl)no2)n1 257305674 SQZLSDRJDCGRHU-NSHDSACASA-N 308.769 2.656 0 40 DFAB Nc1nc(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc12 27350587 UZSNKVSNAKVVGN-JTQLQIEISA-N 310.323 2.986 0 40 DFAB O=C(NCc1ccnnc1)c1ccc(Cc2ccccc2F)nc1 257286014 PJUMILUCFIHAFS-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB CCSc1ccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cn1 70014441 YURDEAQNAFQWNL-JTQLQIEISA-N 324.450 2.618 0 40 DFAB COc1cc(=O)n2c(c1-c1nc(-c3ccsc3)no1)CCC2 253406038 UCVUZLBNHZFENB-UHFFFAOYSA-N 315.354 2.582 0 40 DFAB COc1ncc(NC(=O)Nc2ccccc2Cl)c(N(C)C)n1 96121383 DGYIPNQTMXVALV-UHFFFAOYSA-N 321.768 2.849 0 40 DFAB COc1cccc(S(=O)(=O)N2CC[C@H](c3cccs3)C2)c1 824787795 LOCLCLJKCWZJGM-LBPRGKRZSA-N 323.439 2.935 0 40 DFAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC1=O 48231344 ZSKHUDQNBUZYPP-CYBMUJFWSA-N 309.369 2.706 0 40 DFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)C1CCCC1 40541585 NVIRWHSYFTULQA-INIZCTEOSA-N 300.402 2.657 0 40 DFAB Cc1occc1-c1cc(NC(=O)c2ccccc2)n(CCO)n1 84044256 LBGJNPSBIJSHNU-UHFFFAOYSA-N 311.341 2.696 0 40 DFAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccnn2C)c1 84086001 SMQBNZRRMHRGHS-UHFFFAOYSA-N 309.373 2.783 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@]1(C)C(=O)O 79490487 YDFUQTKYBYRUOC-OAHLLOKOSA-N 310.781 2.526 0 40 DFAB C[C@H](NCCCN1CCCC1=O)c1ccc(F)cc1N(C)C 95419454 YTUSTGCDCFTNMY-ZDUSSCGKSA-N 307.413 2.555 0 40 DFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@H]1CCOC1 41938371 QVTZNWVPZGZBDM-LLVKDONJSA-N 320.389 2.644 0 40 DFAB COCCNC(=S)Nc1ccc(Br)cc1F 13788513 HBNRRACGKJWVGU-UHFFFAOYSA-N 307.188 2.521 0 40 DFAB c1ccc(CSc2nnc3ccc(-c4ccccn4)nn23)nc1 5141895 FRBPHCASFVCSSN-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB Cn1ncc2c1ncn1c(-c3ccc(Cl)c(Cl)c3)nnc21 5324132 OUOSZRIHYIXRDE-UHFFFAOYSA-N 319.155 2.985 0 40 DFAB OCCNCCc1c[nH]c2ccc(OCc3ccccc3)cc12 5478201 UKORPYDHOLETSW-UHFFFAOYSA-N 310.397 2.871 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12143287 FDURADLIMWNEIX-ZWKOTPCHSA-N 313.372 2.745 0 40 DFAB Cc1ccccc1-n1ccc2nc(N3CCCC3)ncc2c1=O 19959465 IPEGTZOCYIWRLF-UHFFFAOYSA-N 306.369 2.689 0 40 DFAB Cc1cccc(-c2nc3c(c(SCC(N)=O)n2)CCCC3)c1 798775 ZPXBKQHHIPXSQZ-UHFFFAOYSA-N 313.426 2.908 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)N(C)c1ccccc1 3254781 CBYVTBBFIHECFM-UHFFFAOYSA-N 316.382 2.623 0 40 DFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)on2)CC1=O 4385105 GQWNNNHWKFFOAM-ZDUSSCGKSA-N 313.357 2.537 0 40 DFAB NC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 5636783 COGOOOKHTNCZDU-UHFFFAOYSA-N 310.140 2.740 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)NCCc1cccs1 8941611 ZWNTUPFFFTWNSA-UHFFFAOYSA-N 312.398 2.610 0 40 DFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCn2c1nc1ccccc12 20562166 BYZXKDXNBXRXOK-UHFFFAOYSA-N 319.324 2.680 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)o1 503743713 DZIZNESOMVYYLX-ZWKOTPCHSA-N 304.434 2.663 0 40 DFAB C[C@H]1CN([C@H](C)C(=O)Nc2cccc3ncccc23)C[C@@H](C)O1 25413486 FMCIVHANBUYTSD-HZSPNIEDSA-N 313.401 2.671 0 40 DFAB Cc1[nH]c2nc(NCc3cccc(Cl)c3)nn2c(=O)c1Cl 101275166 UUGATVMZAFABJA-UHFFFAOYSA-N 324.171 2.645 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)NC1CCCCCCC1 40023763 ABZBKHOJNLVJQS-UHFFFAOYSA-N 314.393 2.897 0 40 DFAB COC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2)c1 143517 ZHUAJSOZBVZUFR-UHFFFAOYSA-N 314.366 2.600 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)Nc1c(F)cccc1F 40525876 FDIOCAJMJBLZIR-ZDUSSCGKSA-N 310.275 2.959 0 40 DFAB CCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2)CC1 299603 JEQJMNYVBQOCSZ-UHFFFAOYSA-N 304.434 2.776 0 40 DFAB C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(F)c(F)c1 101383639 SKIFWDAVKPDXLI-JSGCOSHPSA-N 321.371 2.682 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc1 485972 BCQWVSGYTQLPNS-WMLDXEAASA-N 319.426 2.738 0 40 DFAB biogenic O=c1c2sc3ncccc3c2nc(O)n1-c1ccccc1F 32951123 JVSXPOJNVBMTMG-UHFFFAOYSA-N 313.313 2.840 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1N1CCNC1=O 53060504 BOSYYRREUKPBTK-STQMWFEESA-N 315.417 2.643 0 40 DFAB CC(=O)N1CCCN(C(=O)c2sc3ccccc3c2C)CC1 53356529 GCQOJIVVHJBZAP-UHFFFAOYSA-N 316.426 2.904 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc[n+]([O-])cc2)C2CC2)o1 41895004 PCHXOMUPSGKLGF-WBMJQRKESA-N 312.369 2.841 0 40 DFAB Cc1nc(-c2cccc(NC(=O)c3cc[n+]([O-])cc3)c2)oc1C 54234915 UIBNHTJRFVSDDJ-UHFFFAOYSA-N 309.325 2.844 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cscn3)C2)n1 54204455 RVWNUTOWRUOVOD-ZDUSSCGKSA-N 316.430 2.697 0 40 DFAB C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2cccs2)CCC[C@H]1C 104662706 WPEDLEPEFLWWPV-AGIUHOORSA-N 308.447 2.809 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 10677734 WOOPJFLNPCIGDT-CQSZACIVSA-N 306.387 2.721 0 40 DFAB O=C1c2ccccc2C(=O)N1COc1cccc2cccnc12 355080 VRRWWTDGVAOART-UHFFFAOYSA-N 304.305 2.867 0 40 DFAB CC(=O)OCC[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C1=O 1758306 NTBJGUXGJVRBNO-WBMJQRKESA-N 312.369 2.567 0 40 DFAB O=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)CO1 2244260 XIQFZWUXPOOQCF-INIZCTEOSA-N 311.337 2.923 0 40 DFAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccs2)cc1 6022634 BQVBFCKGLZDJBF-UHFFFAOYSA-N 304.323 2.713 0 40 DFAB c1cnn(-c2ccc(CN3CCC[C@@H](N4CCCC4)C3)cc2)c1 20600156 DIHLDEQYWLJKPG-LJQANCHMSA-N 310.445 2.933 0 40 DFAB O=C(COCC1CC1)NCc1ccnc(Oc2ccccc2)c1 32931123 FFRFLPBOXMVKCN-UHFFFAOYSA-N 312.369 2.917 0 40 DFAB CC[C@]1(C)Cc2c(sc3nc4n(c(=O)c23)CCS4)CO1 507089 CBNWCZFJCXVRNO-CQSZACIVSA-N 308.428 2.805 0 40 DFAB CC(=O)N(C)CC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 46210722 MDODUMPRGJTFEI-SFHVURJKSA-N 314.360 2.510 0 40 DFAB O=c1sc2c(n1Cc1noc(-c3ccoc3)n1)CCCCC2 96405948 UYYOPSLAUOVERX-UHFFFAOYSA-N 317.370 2.870 0 40 DFAB COc1cc2c(=O)[nH]c(-c3ccoc3)nc2cc1OC(F)F 89429390 CUCVWXXXLMQASM-UHFFFAOYSA-N 308.240 2.793 0 40 DFAB O=C(NCc1ccoc1)NC[C@H](c1cccs1)N1CCCC1 43231326 GZEPIQSFVGWNGV-CQSZACIVSA-N 319.430 2.977 0 40 DFAB CNC(=O)c1ccc(Sc2ccc(NC(C)=O)cc2)nc1 24990679 KQZGRNDJXSHCOG-UHFFFAOYSA-N 301.371 2.551 0 40 DFAB COC(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 25077267 BQUKCGVCDKLYLN-UHFFFAOYSA-N 315.344 2.514 0 40 DFAB Cc1cnc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)s1 28228037 MBWSKXLERBUJMP-VIFPVBQESA-N 306.343 2.586 0 40 DFAB O=C(c1cccc(CN2CCOCC2)c1)N1CCCCCC1 68367256 SKBGAMXVOFPZQO-UHFFFAOYSA-N 302.418 2.535 0 40 DFAB COc1ccccc1CNC(=O)c1noc2c1C[C@@H](C)CC2 20572096 CIKCOJRXRWPNPK-NSHDSACASA-N 300.358 2.738 0 40 DFAB COc1cccc2cc(CNC(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)oc12 108356177 DEDBRFFVPBHGTE-MRVWCRGKSA-N 316.357 2.561 0 40 DFAB CCOC(=O)c1cnn(-c2ccc(F)cc2)c1Br 66345494 IXYYMEMMUBMROA-UHFFFAOYSA-N 313.126 2.951 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)NCCc2ccccn2)c1C 12526885 DXLOBZHXSPRAEN-UHFFFAOYSA-N 318.442 2.836 0 40 DFAB CC[C@@H](C)n1c(S[C@H](C)C(N)=O)nnc1-c1ccccc1 58201197 DYROXZHYJXJDOC-GHMZBOCLSA-N 304.419 2.882 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1CN1CCCC1 58365191 LNLSBGASKQLHSB-MRXNPFEDSA-N 311.429 2.797 0 40 DFAB Cc1nccc(C(=O)NCCOc2ccc3ccccc3c2)n1 58356535 ZYIILNKBZVGCPE-UHFFFAOYSA-N 307.353 2.747 0 40 DFAB O=C(O)[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 62133614 NCEOTPFNEOWANI-SECBINFHSA-N 304.173 2.779 0 40 DFAB O=C(O)[C@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 62133613 NCEOTPFNEOWANI-VIFPVBQESA-N 304.173 2.779 0 40 DFAB Cc1ccc(COC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3313308 FXKRQYKONNVOFD-UHFFFAOYSA-N 308.337 2.599 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CN2CCc3ccccc32)c1 7600712 PFLXFKHMRAJSCJ-UHFFFAOYSA-N 324.380 2.783 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1F 12775524 DIUMYDOUKREEQG-INIZCTEOSA-N 314.316 2.726 0 40 DFAB CCOCCCNC(=O)Nc1ccc(Br)cc1 48326883 QYQVCGPTUKFJCI-UHFFFAOYSA-N 301.184 2.997 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](c1ccsc1)N(C)C 48332741 VOXAPWQISLHEEQ-CYBMUJFWSA-N 320.418 2.576 0 40 DFAB CCc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 408707334 NDOUSGOLWWRVLJ-CJNGLKHVSA-N 302.418 2.560 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(=O)O 13410266 WZRUFUSXPSGTFP-LLVKDONJSA-N 315.325 2.799 0 40 DFAB O=C(COC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc[nH]1 16796832 ZMOXCDPIKRANDC-NSHDSACASA-N 319.744 2.645 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1Cn1cccn1 70040817 UKNQNNJOHBELRP-GFCCVEGCSA-N 307.756 2.980 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1 6276582 UOJSBTQSKHAPJG-UHFFFAOYSA-N 315.348 2.885 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 6304285 RWEWJGVFATZPNH-UHFFFAOYSA-N 301.371 2.843 0 40 DFAB CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccccc1 65537860 PDMGHUMDBUKJBS-UHFFFAOYSA-N 311.385 2.857 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65563336 QYCDXMWYTPRMGO-IUCAKERBSA-N 310.448 2.771 0 40 DFAB COc1ccccc1C1(CNC(=O)Nc2cc(C)on2)CC1 65565034 LQPGVAMFNOZENI-UHFFFAOYSA-N 301.346 2.845 0 40 DFAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1F 14115755 QYEIAYMLWUNTPJ-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC=CCC1 14183938 BUDMZKMMTFJWJF-ZDUSSCGKSA-N 322.430 2.540 0 40 DFAB Cc1ccc(CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 14170007 JJHZIBTXLRAFBO-UHFFFAOYSA-N 310.397 2.909 0 40 DFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1 6608440 IKGJTCOWIZRUBM-ZDUSSCGKSA-N 319.401 2.618 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1cc(=O)[nH]c2ccccc12 6971376 WHWKDAPZPWHETG-INIZCTEOSA-N 320.348 2.782 0 40 DFAB CN(C(=O)c1c(O)cc(F)cc1F)c1ccc2c(c1)CCO2 92602765 ZQCYCXGYOPIMMI-UHFFFAOYSA-N 305.280 2.882 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3[C@H]1CCOC(C)(C)C1)C2=O 19331470 JFOUVNIBWUJRPX-PLDSJADBSA-N 320.477 2.524 0 40 DFAB biogenic CCc1nccn1[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 71870687 WXQHKIYYSHVITK-CYBMUJFWSA-N 302.378 2.528 0 40 DFAB Cc1ncc(CO)c(CN(C)Cc2ccccc2Cl)c1O 96006918 NMSBMOPULAVXEC-UHFFFAOYSA-N 306.793 2.873 0 40 DFAB CC1CCC(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)CC1 96000947 UTKGZMBAHSEBFI-JXQTWKCFSA-N 321.421 2.919 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nnc(C2CC2)s1 9315697 UMVKHGSEIPUGEN-UFBFGSQYSA-N 317.370 2.583 0 40 DFAB CC[C@H](C)CS(=O)(=O)NCc1nc2ccccc2n1CC 71904719 RXEDKBDDCUXRQM-LBPRGKRZSA-N 309.435 2.522 0 40 DFAB Cc1ccc(S(=O)(=O)N2CC(Cc3ccccc3F)C2)cc1 71924160 KZNNMSTUPFAGEE-UHFFFAOYSA-N 319.401 2.997 0 40 DFAB in-vitro CC[C@@H](Sc1nnc(NC2CCCCC2)s1)C(N)=O 72086606 YDPVIKQDFZVDBU-SECBINFHSA-N 300.453 2.639 0 40 DFAB Cn1c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc2ccccc21 75611272 JGMGAHDUJPOZBY-DNVCBOLYSA-N 312.413 2.946 0 40 DFAB biogenic CC(C)(C)c1n[nH]c([C@@H]2CN(CCc3cccs3)CCO2)n1 76049691 GSRDSFFLFHBBBJ-ZDUSSCGKSA-N 320.462 2.780 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)oc2c(F)cccc12 84068089 LHIAUBXVPDEGQN-YGRLFVJLSA-N 304.365 2.902 0 40 DFAB Nc1ccccc1C(=O)Nc1cc(Br)ccc1O 94573586 DQVAQVLHCWKKFW-UHFFFAOYSA-N 307.147 2.989 0 40 DFAB CC1(C)CCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 77383147 IRGAZBOSCFWNTA-MRXNPFEDSA-N 320.408 2.600 0 40 DFAB CO[C@H](C)CCOC(=O)C1(c2ccc(F)cc2)CCOCC1 78949249 FGAILJMIXJLFEL-CYBMUJFWSA-N 310.365 2.842 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)c1 95405911 YMCNKEZKHSRHAW-GJZGRUSLSA-N 317.433 2.661 0 40 DFAB O=C(NCc1ncc[nH]1)c1cc(Cl)ccc1OC(F)F 79013215 AJVAYPYRIWHRHA-UHFFFAOYSA-N 301.680 2.595 0 40 DFAB C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1cccnc1 88479897 ZIJJNMPWNVFQLF-SUMWQHHRSA-N 305.422 2.773 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ncc(C(C)C)o1 95983631 FPXOENIEJGFXHN-CQSZACIVSA-N 318.421 2.722 0 40 DFAB CCc1cccc(N(C#N)CC(=O)Nc2c(C)nn(C)c2C)c1 89289521 BMLDWHKHVTZZLR-UHFFFAOYSA-N 311.389 2.526 0 40 DFAB C[C@H](CC(=O)Nc1ncccc1O)C(=O)c1cccc(F)c1 74823651 CZWWFMNGSFTNDH-SNVBAGLBSA-N 302.305 2.774 0 40 DFAB COC(=O)Cc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 89326717 DQUHFNGSGGTUDH-UHFFFAOYSA-N 312.369 2.720 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2ccccc2OCC)CC1 9954499 RNHBBNWSCFCLNT-UHFFFAOYSA-N 320.389 2.892 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C(=O)C[C@@H]12 123368221 QHSZSKZLCCRGLJ-JBBRZBFTSA-N 306.446 2.930 0 40 DFAB Cn1cc(C[C@H]2CCN(c3ncnc4c(F)cccc34)C2)cn1 555804811 IAUALABYNLDHGQ-GFCCVEGCSA-N 311.364 2.571 0 40 DFAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 72324799 JGUNZNOVQQBWJF-RAIGVLPGSA-N 315.244 2.633 0 40 DFAB COC(=O)c1ccc(OC(=O)COCc2ccccc2)cc1 72575880 ZIJXAKXQCCJPJD-UHFFFAOYSA-N 300.310 2.595 0 40 DFAB Cc1cccc(NC(=O)N2CCNC(=O)[C@H]2C(C)C)c1Cl 79817582 FBRILGPJDQMSEI-CYBMUJFWSA-N 309.797 2.637 0 40 DFAB O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)o1 61973980 DXGDXBZVJYDGJL-UHFFFAOYSA-N 315.354 2.891 0 40 DFAB CNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224873737 ZSOUQXZTGVQPHY-UHFFFAOYSA-N 309.163 2.783 0 40 DFAB COc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1F 44891758 XGVBTNKXHARFFF-NSHDSACASA-N 302.349 2.784 0 40 DFAB CN1CCC(Oc2ccc(NC(=O)c3cccnc3)cc2)CC1 225432431 UPOZFWQYZLCFRH-UHFFFAOYSA-N 311.385 2.807 0 40 DFAB COc1cccc(-c2cnc(CCC(=O)N3CCCC3)o2)c1 224848376 SZCLUHHQSRHEKY-UHFFFAOYSA-N 300.358 2.905 0 40 DFAB Cn1cccc1[C@@H]1COCCN1Cc1nc2cc(F)ccc2o1 131785624 WDHIMCKRKPBQEO-HNNXBMFYSA-N 315.348 2.879 0 40 DFAB CN(C(=O)CCCC(C)(C)C)[C@H]1CCC[C@@H]1S(C)(=O)=O 85294910 HGRMTCFZIVPXDF-STQMWFEESA-N 303.468 2.627 0 40 DFAB Cc1csc(C(=O)OCCNC(=O)c2ccncc2)c1Cl 195580192 OOYVWWJCDWYDKS-UHFFFAOYSA-N 324.789 2.692 0 40 DFAB CC(C)Cn1nccc1C(=O)Nc1cccc([C@@H](C)C(=O)O)c1 575130144 LMMMTFDDJVKUFB-GFCCVEGCSA-N 315.373 2.980 0 40 DFAB c1ccc(CO[C@H]2COC3(CCN(C4CCC4)CC3)C2)nc1 96106940 CVNYHIGZICHWCG-QGZVFWFLSA-N 302.418 2.774 0 40 DFAB Cc1nn(C)c(C)c1CN[C@H]1CCN(c2ccc(F)cc2F)C1 96494354 PPHFICMYSOVXBL-AWEZNQCLSA-N 320.387 2.684 0 40 DFAB Cc1nc([C@H](N[C@H]2CCCOC2)c2ccc(Cl)cc2)no1 96494967 ZTLDXUQIBVSENL-UONOGXRCSA-N 307.781 2.889 0 40 DFAB Cc1ccc(CNC[C@H](O)c2cccnc2)c(Br)c1 96483960 FBFTZQRVACGKFT-HNNXBMFYSA-N 321.218 2.976 0 40 DFAB C[C@H]1[C@@H](C)OCCN1C(=O)NCCCCOc1ccccc1 96476976 ZERZDJIIPXSZFL-LSDHHAIUSA-N 306.406 2.664 0 40 DFAB Cc1ccc(CNC[C@@H]2CCCN(Cc3cccnc3)C2)nc1 97228133 CBFWVYBAUWKHCG-SFHVURJKSA-N 310.445 2.787 0 40 DFAB NC(=O)c1cc(Cl)nnc1N1CCC[C@H]1c1ccsc1 96453492 JGHWXPWVOXZXAK-JTQLQIEISA-N 308.794 2.632 0 40 DFAB O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc(C2CC2)on1 96427024 NULGYAJPLDSSCQ-SFHVURJKSA-N 312.369 2.506 0 40 DFAB Cc1ccc(CN2CCn3cc(CN4CCCCC4)nc3C2)o1 96059403 HHIPNIAGPMERFO-UHFFFAOYSA-N 314.433 2.786 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@H]1Cc1ccccc1 96261257 OCRVBWOTEGRLFO-ZWKOTPCHSA-N 310.397 2.862 0 40 DFAB COCCCn1ccc(NC(=O)N(C)[C@H](C)c2ccco2)n1 96413438 DUZAVBVIMNGOJZ-GFCCVEGCSA-N 306.366 2.738 0 40 DFAB CSCc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)ccc1F 96445249 NMKCBVGZADYQDR-ZDUSSCGKSA-N 324.421 2.559 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242538975 JKFJQZJSVJKVBH-PDWMJMLSSA-N 322.493 2.948 0 40 DFAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCCCC3)n2)c1 256046078 CNSXLXPDONSNCE-UHFFFAOYSA-N 300.362 2.573 0 40 DFAB Cc1cc(NC2CC3(CCN(c4nc(C)cc(C)n4)C3)C2)ncn1 257286084 PKDCZYQCKWRHMB-UHFFFAOYSA-N 324.432 2.663 0 40 DFAB COCCN1CCC[C@@H](c2cc(-c3nccs3)nc(C)n2)C1 257242102 IBDBTIMUCWAKIR-CYBMUJFWSA-N 318.446 2.734 0 40 DFAB COCCNc1nc([C@H]2CCCNC2)cc2cc(OC)ccc12 257315746 VCPGNHAJJJMSOT-ZDUSSCGKSA-N 315.417 2.769 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 257214782 CNKTYSSLVNPYGG-CYBMUJFWSA-N 318.446 2.822 0 40 DFAB Cc1cc(C)cc(CCC(=O)NC2CCC(C(=O)O)CC2)c1 262478503 COSJNHWMWAXOKL-UHFFFAOYSA-N 303.402 2.996 0 40 DFAB Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1N(C)C 96098775 IGZYATASPIJEMU-UHFFFAOYSA-N 314.393 2.561 0 40 DFAB CN1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 585101956 NFZLQFYFRSZXGD-KRWDZBQOSA-N 306.837 2.969 0 40 DFAB O=C(/C=C/c1cccs1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827886988 FSZBLEJDKTUAQS-AAAGKOELSA-N 314.414 2.748 0 40 DFAB C[C@@H](NC(=O)NCc1ccoc1)c1ccc2c(c1)CCC(=O)N2 46986852 FPDOQZUROCIURY-LLVKDONJSA-N 313.357 2.725 0 40 DFAB COc1ccc(F)cc1[C@@H](C)N[C@H](C(N)=O)c1ccccc1 55152281 VQGQJOXYWIXXGY-BZNIZROVSA-N 302.349 2.712 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)NCc1ccco1 58280515 FYKOQPXIVXLLJG-VIFPVBQESA-N 324.739 2.507 0 40 DFAB COCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615158463 QOTIVPFSTYMVDU-HOTGVXAUSA-N 320.408 2.820 0 40 DFAB CCn1cc(CCC(=O)N[C@H]2CCCOC2)c2ccccc21 12148327 XWJBNCNSTWBSJE-HNNXBMFYSA-N 300.402 2.889 0 40 DFAB Nc1cc([C@@H]2CCCNC2)nc2cc(-c3ccc(F)cc3)nn12 12338314 SPUPTQRFAHGCHT-GFCCVEGCSA-N 311.364 2.585 0 40 DFAB CC(C)c1ccc2c(c1)s/c(=N\C(=O)c1ccn(C)n1)n2C 12444451 AHRHQNRVXGAFLD-MSUUIHNZSA-N 314.414 2.838 0 40 DFAB Cn1cccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 12975197 RDPBSTRBGMWKTC-OAHLLOKOSA-N 301.390 2.575 0 40 DFAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)n1 253472282 LEZMSZWGISPFEV-CQSZACIVSA-N 315.373 2.597 0 40 DFAB Cc1nc(S[C@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)O 26423606 NUEGZGFFDQSUAJ-SNVBAGLBSA-N 304.371 2.559 0 40 DFAB O=C(CSC1CCCC1)NC[C@@]1(O)CCCc2occc21 1888842959 RPVVOSJFIMOMQH-INIZCTEOSA-N 309.431 2.596 0 40 DFAB c1cc2sc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)nc2cn1 1889103100 NGVIOKFZAIRFRI-RYUDHWBXSA-N 300.431 2.612 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCSc2ccccc21 31792886 XMOSYDKKDQKYNX-HNNXBMFYSA-N 315.442 2.933 0 40 DFAB CC(C)(C)OC(=O)Nc1sc(Br)nc1C(=O)O 91690917 NLIIGKBWKJQUEF-UHFFFAOYSA-N 323.168 2.951 0 40 DFAB O[C@H](CCNc1ncc(Br)cn1)c1cccs1 1775970005 WYYDFZAYAJAYJY-SECBINFHSA-N 314.208 2.836 0 40 DFAB O=C(N1CC(OCC(F)(F)F)C1)C12CC3CC(CC(C3)C1)C2 390831145 PYKRAWRTJHCYMZ-UHFFFAOYSA-N 317.351 2.993 0 40 DFAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[nH]2)cc1 24027255 PIXJJFQHKKNMOA-MRXNPFEDSA-N 319.368 2.748 0 40 DFAB CC(C)c1cccc(NC(=O)Cn2nnc(-c3ccco3)n2)c1 40060539 HOYSNTRLWZYULM-UHFFFAOYSA-N 311.345 2.695 0 40 DFAB CN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 20010938 AOUBLJGOYRNEKU-UHFFFAOYSA-N 308.381 2.698 0 40 DFAB CCC[C@@H](C(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 47872613 KIOSEXMAWCWEST-QGZVFWFLSA-N 318.461 2.797 0 40 DFAB CN1CCCN(c2ncnc3sc4c(c23)CCCC4)CC1 115825 NPRBNGFBIIMIDG-UHFFFAOYSA-N 302.447 2.712 0 40 DFAB CC[C@H](C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 3218237 ATBZTBQLMGSAKP-LBPRGKRZSA-N 319.357 2.570 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(F)c3)cc12 25012810 DAUWARCGCFKDDQ-UHFFFAOYSA-N 313.288 2.741 0 40 DFAB O=C(O)CCS[C@H](C(=O)N1CCCCC1)c1ccccc1 25053930 FFHBDGGWPHDKJY-HNNXBMFYSA-N 307.415 2.948 0 40 DFAB CCO[C@@H]1C[C@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 106854366 GBDVMUPKEWTBHU-ZTFGCOKTSA-N 316.445 2.753 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1 25310050 ISCSKPLXIBEFDC-KRWDZBQOSA-N 312.369 2.908 0 40 DFAB CCOc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 2960872 KKWMDLOYFNAKKP-UHFFFAOYSA-N 309.369 2.706 0 40 DFAB COC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)c(C)c1 55951833 SDQBGAQNSUGRIK-UHFFFAOYSA-N 324.380 2.783 0 40 DFAB CCCC(=O)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 12650873 BDNRFZZGBHVCOU-UHFFFAOYSA-N 315.402 2.578 0 40 DFAB CC(C)(C)c1csc(NC(=O)Cn2nnc3ccccc32)n1 12622590 NRTCLGXPSCZOIR-UHFFFAOYSA-N 315.402 2.824 0 40 DFAB O=C(CCCNC(=O)C1CC1)NCc1csc2ccccc12 57840782 JQZWIDKQBQULGI-UHFFFAOYSA-N 316.426 2.824 0 40 DFAB COc1cccc(NC(=O)COc2cccc3c2CCC3=O)c1 10197616 FVCWBGLQGDVVIF-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB CCN(CC)C(=O)N[C@@H](c1ccccc1OC)c1nccn1C 54009286 YZLVROXGPNZEMJ-HNNXBMFYSA-N 316.405 2.570 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)CSc1cccc[n+]1[O-] 3318251 ZCQHEYXYUBHMKG-AWEZNQCLSA-N 316.426 2.550 0 40 DFAB COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Cl 9140881 ZRORFUICCYHJFK-UHFFFAOYSA-N 324.789 2.746 0 40 DFAB Cc1csc(CNC(=O)NC[C@H](C)N(C)c2ccccc2)n1 44952913 SPYQWVGYAJDSGM-ZDUSSCGKSA-N 318.446 2.776 0 40 DFAB C[C@@H](Sc1nnnn1C)C(=O)c1ccc(C(C)(C)C)cc1 3392027 HSLXOHHOUSKNGG-SNVBAGLBSA-N 304.419 2.871 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@@H]1C[C@H]2C=C[C@H]1C2 102762118 YGAUOQWWEWHPFY-FPMFFAJLSA-N 321.384 2.690 0 40 DFAB CC(=O)C1=NN(c2ccc(Cl)cc2)C[C@@H]1C(=O)OCC(C)C 59416388 OYCLQHNKAAXNGH-AWEZNQCLSA-N 322.792 2.920 0 40 DFAB O=C(Cc1ccccc1F)Nc1ccc(Cn2cncn2)cc1 29329855 FYXYSJNGBFWKFE-UHFFFAOYSA-N 310.332 2.647 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29796441 QEKWWEVXIQJLET-JQWIXIFHSA-N 317.414 2.727 0 40 DFAB COc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1 2642840 IZVXXJVZESWTBE-UHFFFAOYSA-N 317.819 2.889 0 40 DFAB Cc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1 2642490 GCODIUQCQLKCQO-UHFFFAOYSA-N 320.443 2.961 0 40 DFAB CN1CC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O 46690850 UXHIGICRGFPYAD-WMZOPIPTSA-N 314.429 2.903 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(F)cc1 12295119 ZAWZADDTYWZCBA-MEDUHNTESA-N 301.317 2.670 0 40 DFAB O=C(Nc1cccc(OCCn2cccn2)c1)N1CCCC1 47791584 VWPSSXVFSRKGFL-UHFFFAOYSA-N 300.362 2.590 0 40 DFAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc2cc[nH]c2c1 48333390 BAGIVSLDBOKMKJ-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(C)=O)c1 3437376 KLVJWSPZDDLXKG-UHFFFAOYSA-N 312.325 2.684 0 40 DFAB Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12971560 QNYOJGLOSNLCIX-UHFFFAOYSA-N 322.364 2.896 0 40 DFAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 12996537 MOPLSRGQVGPENY-KFWWJZLASA-N 310.463 2.902 0 40 DFAB CCc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 12942165 WHDIVJXSZZNAGF-UHFFFAOYSA-N 311.385 2.733 0 40 DFAB CCc1cccc(C)c1N(C(=O)Cn1ccnc1)[C@@H](C)COC 4385927 LBLKUISBPIXDTP-HNNXBMFYSA-N 315.417 2.822 0 40 DFAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(N)=O 14022417 ZAXJOJCBIIFIFK-INIZCTEOSA-N 312.369 2.890 0 40 DFAB O=C(COC(=O)c1cc(Br)c[nH]1)c1ccccc1 14184031 APFCQUOHUVBVRR-UHFFFAOYSA-N 308.131 2.817 0 40 DFAB NC(=O)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1F 4550222 SGJJVQRZDKFYFJ-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CCOCCCn1cnc2c([nH]c3cccc(Cl)c32)c1=O 5576097 LOSNUUSBPKMDRM-UHFFFAOYSA-N 305.765 2.958 0 40 DFAB CNC(=O)c1cccc(NC(=O)CCc2ccccc2OC)c1 9364891 ZOIBIWXCWMQDMS-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB Cc1ccc(CN(C)CC(=O)Nc2ccnn2C2CCCC2)o1 7696526 VUXLMKMWBQAASC-UHFFFAOYSA-N 316.405 2.970 0 40 DFAB O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COCc1ccco1 7779307 FVIHCUBQMJVXNP-KUNBBXKYSA-N 305.418 2.716 0 40 DFAB O=C(NCCSc1ccccc1)c1ccc2c(c1)OCCO2 8361052 CFCCFCFJPSWXRI-UHFFFAOYSA-N 315.394 2.980 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)C1Cc2ccccc2C1 69566131 VJDGPBWIDXZTEQ-KSSFIOAISA-N 317.429 2.586 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](n2ccnc2C)C1 69770530 YQXBKIDYPYYIRV-ZDUSSCGKSA-N 302.378 2.528 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(C(F)(F)F)c1 18016061 KJHXYNNMAOBVOQ-VIFPVBQESA-N 310.275 2.885 0 40 DFAB Cc1cc([C@H](C)C(=O)N2CCC(c3nncn3C)CC2)c(C)o1 69918538 DHYURFIXVLWHKZ-LBPRGKRZSA-N 316.405 2.535 0 40 DFAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCCC3)n2)cc1 8762720 BWBDYZKRALNKOD-UHFFFAOYSA-N 316.430 2.749 0 40 DFAB Cc1occc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(C)(C)C 71915903 DRECHNYDOQOHKN-AWEZNQCLSA-N 308.422 2.895 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 8848289 VZLBBGPOXQLTFY-MRXNPFEDSA-N 313.353 2.729 0 40 DFAB NC(=O)c1c(NC(=O)c2ccccc2O)sc2c1CCCC2 8869572 XCOGCMYCFAGUJI-UHFFFAOYSA-N 316.382 2.684 0 40 DFAB Cc1ccc(-n2nc(C(N)=O)nc2-c2cccc(Cl)c2)cc1 408696016 UZHAZPNFMPLDLU-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)N[C@@H]1CCCC[C@H]1O 97033269 BWHKAHHXDQBYHE-UKRRQHHQSA-N 314.389 2.606 0 40 DFAB C[C@@]1(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CCCS1 97049502 PVTBFLTWJKIUAA-ZFWWWQNUSA-N 308.451 2.932 0 40 DFAB CC(C)Nc1ncccc1C(=O)Nc1nnc(-c2ccoc2)[nH]1 72304067 QWCBJQXYGKNQCV-UHFFFAOYSA-N 312.333 2.532 0 40 DFAB C[S@](=O)c1cccc(NC(=O)NC[C@@]2(C)CCCS2)c1 84673473 WOQFEPXPOOGTSN-JLTOFOAXSA-N 312.460 2.831 0 40 DFAB O=C(Cc1cccc(O)c1)N(Cc1ccco1)C[C@H]1CCCO1 95429522 NLJXTOPGLSPAEB-QGZVFWFLSA-N 315.369 2.736 0 40 DFAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)O)c1ccccc1 26423477 FAFPBHAFATYIHD-SNVBAGLBSA-N 302.355 2.900 0 40 DFAB CN(C)[C@@H](CNc1nc2ccccc2c(=O)[nH]1)c1cccs1 97994938 NVYYSDCFYORNCT-ZDUSSCGKSA-N 314.414 2.699 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)c1cccc2[nH]ccc12 75091845 PSJIPYUNIGRRHT-UHFFFAOYSA-N 301.390 2.546 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2ncnc3ccsc23)n1 89599326 XCDPJGPXIHSGOR-QMMMGPOBSA-N 304.400 2.936 0 40 DFAB Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ncnn1C 89540431 FSCRZDXSUKXVTK-UHFFFAOYSA-N 315.421 2.512 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cnc(C(C)(C)C)s2)c(=O)[nH]1 75123616 QPTXUACARNZPMP-UHFFFAOYSA-N 319.430 2.676 0 40 DFAB CC(C)NC(=O)Cc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 38498688 OUMBFXVHUWWWEV-NSHDSACASA-N 300.358 2.732 0 40 DFAB COCCN1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72354637 LFNMNRHKHMXNHC-HNNXBMFYSA-N 316.380 2.648 0 40 DFAB CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1F 72354607 NDWBFTFXTSIGQY-HNNXBMFYSA-N 314.364 2.938 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCc2nc(C3CC3)cs2)CCO1 188213305 QLXAHICWAWFEHQ-HNNXBMFYSA-N 309.435 2.731 0 40 DFAB CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 526007049 JYSUMPIQQZLOFK-KBXIAJHMSA-N 315.479 2.675 0 40 DFAB CC[C@@H](C(=O)Nc1cc(C)on1)n1ccc(C(F)(F)F)n1 79097226 SBVRKIWRCPFDKZ-QMMMGPOBSA-N 302.256 2.788 0 40 DFAB Cc1ccc(CC(=O)N[C@H]2CCCN(c3ccccn3)C2)s1 131204114 PRYDWYFOAOGLQB-AWEZNQCLSA-N 315.442 2.779 0 40 DFAB CC(C)C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)C(=O)N(C)C 40135576 MMHRUELWIVJNGZ-SWLSCSKDSA-N 323.412 2.689 0 40 DFAB CCc1noc(C2CCN(C(=O)c3cc(C)oc3C)CC2)n1 46087627 KOJAHBPKFYXNRJ-UHFFFAOYSA-N 303.362 2.862 0 40 DFAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1NCC(C)C 226103756 ORHPNHVBJBTUKG-UHFFFAOYSA-N 314.389 2.970 0 40 DFAB Cc1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c(C)o1 225661337 NNOYQWXXDVVCDU-UHFFFAOYSA-N 322.368 2.852 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC 225455898 CNIJRUUAVDTKOA-HUUCEWRRSA-N 304.434 2.771 0 40 DFAB O=C(C1CCC1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225481797 DJPSNTGXSLTXKX-AWEZNQCLSA-N 300.358 2.544 0 40 DFAB biogenic,in-vitro O=C(C1CCCCC1)N1CCOC[C@H](Oc2ccccc2)C1 85435955 HYXKFUTVHGGIHZ-QGZVFWFLSA-N 303.402 2.873 0 40 DFAB biogenic,in-vitro Cc1[nH]c(C[C@@H]2C(=O)N=C3C=CC(F)=C[C@@H]32)c(C)c1C(=O)O 85210620 JMMAUENBPNLMQB-MNOVXSKESA-N 302.305 2.509 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 42645713 MFZHCMUCBFSVQU-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1cc(F)cc(F)c1 224262363 KTNXSIBVFUBOMC-UHFFFAOYSA-N 319.315 2.999 0 40 DFAB C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(C(F)(F)F)c1 69324454 DHMLTTMZWZPLLK-VIFPVBQESA-N 313.283 2.507 0 40 DFAB CC1=C(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CCC1 533006983 WJCCGYNFAGCBEF-UHFFFAOYSA-N 324.306 2.865 0 40 DFAB CCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C(=O)OC 225790189 ZWYYXZGDFJNWLQ-INIZCTEOSA-N 309.362 2.626 0 40 DFAB C[C@@H](CN[C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 194621886 KHQBSSHMQOSXRL-MAUKXSAKSA-N 309.413 2.970 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225886738 CNLABAFQHBWMMA-RYUDHWBXSA-N 321.494 2.964 0 40 DFAB Cc1n[nH]c(C)c1CC(=O)N[C@H](c1ccccc1)c1cccnc1 191062984 FOWIELUVXQTPRL-LJQANCHMSA-N 320.396 2.870 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccn2)CC1 96301158 AXIDLPUTKNXRHE-CQSZACIVSA-N 305.422 2.961 0 40 DFAB CC[C@H](C)Oc1cc(-c2nc(C(C)(C)NC(C)=O)no2)ccn1 96494525 JFVWBDUPFOXRDT-JTQLQIEISA-N 318.377 2.680 0 40 DFAB CCO[C@H]1C[C@H](NCc2ccnc(-n3ccnc3)c2)C1(C)C 96493372 RQEQJYFYRTYPTO-GJZGRUSLSA-N 300.406 2.561 0 40 DFAB COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@]1(C)CO 97379150 CWZINONUZYXNAZ-GDBMZVCRSA-N 311.809 2.558 0 40 DFAB CC(C)CN1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]21 96244865 OXPPVJLNVOEJFX-HOCLYGCPSA-N 306.837 2.681 0 40 DFAB O=C(CNC1(c2ccc(F)cc2)CCC1)NCc1ccccn1 69922150 NZZZLQRIEMFITQ-UHFFFAOYSA-N 313.376 2.506 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c(C)o1 252498979 RSFAUSSIBXWUTA-KRWDZBQOSA-N 312.369 2.852 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2cnccc2C)C1 257309305 UAJXRHKATOQLSB-HNNXBMFYSA-N 311.433 2.676 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cc3ccsc3)C2)n1 257298729 RNAWLYXLXODUAH-CQSZACIVSA-N 301.415 2.714 0 40 DFAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1ccccc1 257336032 YMWCHEDJULYCHY-AEFFLSMTSA-N 300.402 2.692 0 40 DFAB COCCNc1c(-c2ccc(N(C)C)cc2)nc2cnccn12 72341616 JKDUEDBJNWNXGQ-UHFFFAOYSA-N 311.389 2.521 0 40 DFAB Cc1ccccc1OCCCN1C(=O)CNC(=O)c2ccccc21 33683662 JTOARYMVZSZCIV-UHFFFAOYSA-N 324.380 2.541 0 40 DFAB CCc1cnc(CCNC(=O)NC[C@]2(C)CCCS2)s1 83827871 RSTZFCVYJWXHPG-AWEZNQCLSA-N 313.492 2.833 0 40 DFAB CC[C@@H](CNC(=O)Cc1cc(C)on1)Oc1cccc(F)c1 84561502 JNCIBBPZHMTLNE-AWEZNQCLSA-N 306.337 2.638 0 40 DFAB CC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2C)cc1 80252162 RHLGPXVVGYLTSQ-UHFFFAOYSA-N 324.380 2.795 0 40 DFAB CCOc1cccc(NC2CCN(Cc3ccncc3)CC2)n1 97037989 XHQPQZZKTMGQJR-UHFFFAOYSA-N 312.417 2.952 0 40 DFAB COc1c(C)c2c(c3c1CC[C@@](C)(CCC(=O)O)O3)C(=O)OC2 5217461 LBPWEATYVDLHIT-KRWDZBQOSA-N 320.341 2.623 0 40 DFAB in-vitro CC(C)/C=C\[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 17250258 PZSSHNWVJGSMGY-YXGRLTDGSA-N 321.461 2.757 0 40 DFAB CC(=O)Oc1cs/c(=N\c2ccc(C)c(C)c2)n1C(C)=O 5375696 KFPBAQXMHWBEIT-NXVVXOECSA-N 304.371 2.984 0 40 DFAB Cc1ccc(SCCNC(=O)CSc2nccn2C)cc1 5165201 KNIBQRDAEIRSEF-UHFFFAOYSA-N 321.471 2.729 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccncc2)cc1Cl 5718542 LIEJTRWRSGKPPF-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB c1ccc(OCCN2CC[C@H]3CN(c4ccccn4)C[C@H]32)cc1 1888857157 XEINARNYFOUBIP-FUHWJXTLSA-N 309.413 2.671 0 40 DFAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccncc1 23510089 SBIUHYDVOGDTMR-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB CCc1nn(C)cc1N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 123864957 MHQOEITZBOHUAJ-CHWSQXEVSA-N 308.426 2.840 0 40 DFAB CN(C)c1cccc(CC[C@H]2CCCCN2c2ccncn2)n1 2037644219 ISVWCUGVMNPKLL-MRXNPFEDSA-N 311.433 2.929 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1 8920538 HSYWRROEGHZWTO-UHFFFAOYSA-N 311.316 2.981 0 40 DFAB CC(=O)NCC(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880088 OICVKHVOFAQSKX-AWEZNQCLSA-N 308.809 2.572 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3F)oc12 191941 FTNOVAQUXRDJRB-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB CCN(CC)[C@@H](Cc1cccc(Br)c1)C(=O)O 107843741 YIMYUBNPYWKCDG-LBPRGKRZSA-N 300.196 2.787 0 40 DFAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(OC)c1O 1018408 MXDBPTWLWKDZTP-GHXNOFRVSA-N 323.370 2.854 0 40 DFAB Cc1ncsc1C(=O)NC[C@H](C)N1CCc2ccccc21 40529175 ZFYBGHBCHOAFGJ-NSHDSACASA-N 301.415 2.633 0 40 DFAB Cc1cc([C@H](C)NC(=O)CN(C)C(=O)c2ccco2)c(C)s1 40509381 LIACPMSQASJTOM-NSHDSACASA-N 320.414 2.907 0 40 DFAB COC(CNC(=O)c1c(-c2ccccc2Cl)noc1C)OC 384230 FWVXFLKQUUGBEY-UHFFFAOYSA-N 324.764 2.652 0 40 DFAB COCCNC(=O)c1ccccc1SCc1c(C)noc1C 32975371 SGRRVXSNDAGNDV-UHFFFAOYSA-N 320.414 2.960 0 40 DFAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1nccs1 52797058 YGNHALMWSGBAKD-UHFFFAOYSA-N 318.402 2.748 0 40 DFAB Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)on1 21901900 XJRHOLSYPKYMST-UHFFFAOYSA-N 321.764 2.725 0 40 DFAB O=C1CNC(=O)N1CCSCc1c(Cl)cccc1Cl 23079096 RDPVXUJWZSBBDG-UHFFFAOYSA-N 319.213 2.778 0 40 DFAB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2cccs2)CC1 23737097 WDCPKQGINOAKIA-UHFFFAOYSA-N 323.849 2.698 0 40 DFAB O=C(Nc1cccc(OCc2cccnc2)c1)N1CCOCC1 34004725 OBEBDWRWWNKJBO-UHFFFAOYSA-N 313.357 2.525 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)c1 7069265 NYQXBVHESUYZSF-UHFFFAOYSA-N 307.309 2.853 0 40 DFAB O=C(CCCOc1ccccc1Cl)NC1CCC(O)CC1 50536251 HJUGSDNCZFCWLK-UHFFFAOYSA-N 311.809 2.919 0 40 DFAB CC1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 40526566 MFKPGCUVFZPCMV-UHFFFAOYSA-N 310.419 2.790 0 40 DFAB CC(C)c1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1C 4879070 LZERQLFPCXFPJE-RYUDHWBXSA-N 310.467 2.820 0 40 DFAB CCCOc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 69324967 KTSWMCPTXAWCAH-OAHLLOKOSA-N 314.389 2.544 0 40 DFAB O=C(c1cccc(Cl)c1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 204465 PEOGIYMLYULQPC-GFCCVEGCSA-N 324.661 2.761 0 40 DFAB CCn1nnnc1NCc1cc(Cl)cc(Cl)c1OC 8339940 MUIMJHUSIVONNN-UHFFFAOYSA-N 302.165 2.621 0 40 DFAB CC1(C)N=C(Oc2cc(Cl)cc(Cl)c2)NC(=S)N1 8655316 TXRLPCKAAHECMX-UHFFFAOYSA-N 304.202 2.942 0 40 DFAB CSCCC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 29085624 IENRNWQPQXIZCR-AWEZNQCLSA-N 307.394 2.518 0 40 DFAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccc(F)cc1 2578056 CRIKMGNFFHCEHR-UHFFFAOYSA-N 320.327 2.770 0 40 DFAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)c1ccccn1 32405125 UENWTDKUEMBFDU-SECBINFHSA-N 314.769 2.914 0 40 DFAB FC(F)(F)c1ccnc(NC2CCN(c3ccccn3)CC2)n1 52185369 JPFQUJKMPJTZEC-UHFFFAOYSA-N 323.322 2.971 0 40 DFAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(NC(=O)C2CC2)c1 32772033 JMMZBMXWMINMHF-UHFFFAOYSA-N 318.373 2.865 0 40 DFAB O=C(NOCc1ccccc1)N1CCN(c2ccccc2)CC1 9736720 DRNCELFFMALHMS-UHFFFAOYSA-N 311.385 2.650 0 40 DFAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2C2CC2)no1 32894121 BNZKTURSDMVWCV-UHFFFAOYSA-N 306.391 2.862 0 40 DFAB COC(=O)c1sc2nc(C)nc(Nc3cnn(C)c3)c2c1C 52487413 WFLRHBVUNBAIHX-UHFFFAOYSA-N 317.374 2.572 0 40 DFAB O[C@H](CN1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 29657893 BJDQQUHGDHZYTC-QZTJIDSGSA-N 301.361 2.933 0 40 DFAB C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccc1 107150036 PJILRTXBQBCCBY-AWEZNQCLSA-N 306.365 2.879 0 40 DFAB COc1ncccc1C(=O)NCCCc1ccc(N(C)C)cc1 29978837 ARWABWKDDFJZKW-UHFFFAOYSA-N 313.401 2.519 0 40 DFAB CCn1cnnc1CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 60704617 JRYOJASRSTYFPN-UHFFFAOYSA-N 318.380 2.799 0 40 DFAB FC(F)(F)c1ccnc(NC[C@H]2COc3ccccc3O2)n1 24053220 HYYBSMYNKAJWAQ-VIFPVBQESA-N 311.263 2.747 0 40 DFAB O=C(C[C@@H]1C=CCC1)OCCCn1c(=O)[nH]c2ccccc21 12598937 VRUSPCKTIYCNMO-CYBMUJFWSA-N 300.358 2.619 0 40 DFAB CSCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 47895794 XMXWBIWXNVVYKB-JTQLQIEISA-N 318.320 2.656 0 40 DFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)nn1 58265057 SMESNNZYKYLURI-GOEBONIOSA-N 311.385 2.981 0 40 DFAB Cc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)c(O)c1 58232286 KAFGBMBYIALGNZ-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB CCOc1ccc([C@@H]2CCCN2C(=O)NCc2cc[nH]n2)cc1 48273679 XTECQUKMABFGMX-INIZCTEOSA-N 314.389 2.855 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 3437038 OLWXUXXOXGVLJT-UHFFFAOYSA-N 313.309 2.519 0 40 DFAB COc1cc(CNCc2cccc3c2OCCCO3)ccn1 48710985 ODSWOXKYVXSRQL-UHFFFAOYSA-N 300.358 2.541 0 40 DFAB O=C(O)C[C@H](NC(=O)COc1ccccc1)c1ccc(F)cc1 13176058 NSHWDAJLPJDPNZ-HNNXBMFYSA-N 317.316 2.537 0 40 DFAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cccnc1Oc1ccccc1 63114869 NGMUUMCTZGLWOG-CQSZACIVSA-N 323.396 2.840 0 40 DFAB COC[C@@H](O)CCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 90950109 GKKJOMQIINNVID-FUHWJXTLSA-N 319.445 2.766 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(-c3ccoc3)no2)c1 69464838 ZPVHNLGFUWVVPV-NEPJUHHUSA-N 301.350 2.574 0 40 DFAB CN(CC1CCCCC1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 68881356 HXEBARQMDWVBLU-UHFFFAOYSA-N 317.437 2.891 0 40 DFAB O=C(CN1CCCC1=O)Nc1ccccc1SC(F)F 21705639 WETHGNLCBMXYLG-UHFFFAOYSA-N 300.330 2.562 0 40 DFAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]n1 8134380 GSGZLWPQLPRLIQ-UHFFFAOYSA-N 321.336 2.601 0 40 DFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCCCC1 5043755 PIFFKGFDBQEREU-MRXNPFEDSA-N 321.417 2.514 0 40 DFAB CCCc1nc(C(C)(C)NC(=O)c2sc(C)nc2C)no1 65437227 GRTMSJXPKHJHJU-UHFFFAOYSA-N 308.407 2.761 0 40 DFAB COCCOC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4520070 KKXKXXCLRVTABG-LLVKDONJSA-N 318.325 2.897 0 40 DFAB CSCC[C@H](NC(=O)C1CCCC1)c1nnc2ccccn12 5488918 AYDCLJGZANSJCO-ZDUSSCGKSA-N 318.446 2.830 0 40 DFAB CC(C)(C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 14474717 HZKCSKIMQHUDJX-UHFFFAOYSA-N 321.380 2.914 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)C1(c2ccccc2)CC1 6640240 KILXRCFKRCIJHV-UHFFFAOYSA-N 323.392 2.848 0 40 DFAB Nc1n[nH]c(Nc2ccccc2)c1-c1nnc2n1CCCCC2 8553736 HYWVNYGSIGVPSC-UHFFFAOYSA-N 309.377 2.720 0 40 DFAB Clc1ccc(-n2cc(CNCCn3cccn3)cn2)cc1 69950251 WVQAJTCDSUIRHS-UHFFFAOYSA-N 301.781 2.512 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 69925302 IMGLLDYGRCFOTM-MRXNPFEDSA-N 322.412 2.988 0 40 DFAB CNC1=NN=C(c2ccc(NC(=O)CC(C)C)cc2)CS1 6837744 CEFBFBQXXZWILP-UHFFFAOYSA-N 304.419 2.698 0 40 DFAB O=C(CNC(=O)c1cccs1)Nc1cccc2cccnc12 8987678 BVXNYVNXNXXOCY-UHFFFAOYSA-N 311.366 2.665 0 40 DFAB C[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1 408707639 PQIACKLFHVPZCS-OAHLLOKOSA-N 314.429 2.913 0 40 DFAB COc1cc(F)cc(CNC(=O)N[C@@H]2CC[C@H](SC)C2)c1 94037020 VVYAUVFPKCFAAD-OCCSQVGLSA-N 312.410 2.918 0 40 DFAB CSCCN(C)CCC(=O)N[C@H]1CCCc2ccccc21 83859392 HKPWCYPQOHECOL-INIZCTEOSA-N 306.475 2.865 0 40 DFAB Cc1nc2ccc(C(=O)NC[C@H](C)Cn3ccnc3)cc2nc1C 75144698 YDHJDOZXWIUPED-LBPRGKRZSA-N 323.400 2.509 0 40 DFAB Cc1ccsc1CNC(=O)CN(C(C)C)[C@H]1CCCC[C@@H]1O 89702035 JKUYWPIDPBSRGI-GJZGRUSLSA-N 324.490 2.687 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)Cc1cccs1)C2 72295317 LSVMEPPLQYEDPK-YPMHNXCESA-N 303.431 2.563 0 40 DFAB Cn1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1=O 72283514 VGASYCBEXUOGCX-UHFFFAOYSA-N 321.336 2.825 0 40 DFAB CCNC(=O)C(C)(C)CN[C@H](C)c1ccc2c(c1)OCCCO2 97038359 WOTWQMNINMXALL-CYBMUJFWSA-N 320.433 2.661 0 40 DFAB C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@H]1O 97045221 CZVTVPKIIBUCJP-IAQYHMDHSA-N 309.356 2.616 0 40 DFAB C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)c1cccs1 97017907 JHEIDPNAGHPDMK-SMDDNHRTSA-N 315.394 2.890 0 40 DFAB C[C@H](C(=O)NCC(=O)c1ccccc1)N1CCCc2ccccc21 97013188 FBLXWHGKWZWVAE-OAHLLOKOSA-N 322.408 2.827 0 40 DFAB CCCn1nc(C)c(CN[C@H]2CCN(c3ccccn3)C2)c1C 97036896 BLAIRUWQUSIIFV-INIZCTEOSA-N 313.449 2.673 0 40 DFAB COc1cccc(CC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c1 89894956 NWEXVDADYYAQJD-KSSFIOAISA-N 313.397 2.866 0 40 DFAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CC2CCCC2)C1 72300005 WNBAPSVOSGVWJW-OAHLLOKOSA-N 304.438 2.643 0 40 DFAB C[C@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 89930305 YXFJDYBIHYYYGS-STQMWFEESA-N 308.388 2.760 0 40 DFAB COc1ccc(CNCc2c(C)nc3ccccn23)cc1OC 75572576 MHKAHGQKEYFUTN-UHFFFAOYSA-N 311.385 2.950 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NCc2cc(C)on2)C12CCCC2 76084999 RSULMHSECDTCAS-KGLIPLIRSA-N 307.394 2.520 0 40 DFAB O=C(Nc1ccc(CCN2CCOC2=O)cc1)C1=CCCC1 95414743 NZNBSXWXYJWTRZ-UHFFFAOYSA-N 300.358 2.730 0 40 DFAB CCc1noc(C)c1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 76248625 CCXNSRPLELXAJC-STQMWFEESA-N 324.446 2.672 0 40 DFAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 95468802 QASFSYCKOUSDHG-DYEKYZERSA-N 314.385 2.867 0 40 DFAB CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 84740758 UDGJIQCMXLVUGY-ZDUSSCGKSA-N 315.417 2.909 0 40 DFAB Cc1cccc(Nc2nnc(SCC3(CO)COC3)s2)c1 84852928 PQLGFWWAAYCIGE-UHFFFAOYSA-N 323.443 2.691 0 40 DFAB C[C@@H](CC(=O)N[C@H](CC(=O)O)c1ccccc1)n1cccc1 95948416 JEYMXDJUHGXOPN-DZGCQCFKSA-N 300.358 2.771 0 40 DFAB CC(C)(NC(=O)/C=C/c1ccc(C(=O)O)cc1)c1nccs1 95969695 IEMROSSISDVIKX-VMPITWQZSA-N 316.382 2.906 0 40 DFAB C[C@@H](O)[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2s1 95993513 JCDBQMUMUPLHEF-OCCSQVGLSA-N 318.442 2.991 0 40 DFAB COC[C@@](C)(CCO)Nc1nc(C(F)F)nc2ccccc12 79099239 HCZKWQVUCQPVIC-OAHLLOKOSA-N 311.332 2.767 0 40 DFAB CCC[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1cccc(OC)c1 79324313 DVHJEVUZTJNFMJ-OYMPBJRDSA-N 311.447 2.637 0 40 DFAB CN(C)C(=O)Cc1ccccc1NC(=O)NC[C@H]1CC=CCC1 69184258 VYKJOLDUFKSFQO-AWEZNQCLSA-N 315.417 2.795 0 40 DFAB COc1ccc(CNC(=O)N[C@@H](C)CCc2ccco2)cn1 32795208 VVLMRTBTARBHHE-LBPRGKRZSA-N 303.362 2.504 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc2ncccc12 32901394 DBBJIEQZAWNFOI-OAHLLOKOSA-N 300.358 2.552 0 40 DFAB c1coc(CN2C[C@@H]3c4cnc(NCC5CC5)nc4C[C@H]3C2)c1 306135948 PFAQMQIIIRWRQL-BBRMVZONSA-N 310.401 2.663 0 40 DFAB C[C@@](O)(CNC(=O)CCc1ccco1)c1ccc(F)cc1F 79349866 TVSMOGFEQUNWLC-MRXNPFEDSA-N 309.312 2.514 0 40 DFAB CCc1c(C)sc2nc(O)n3nc(-c4ccncc4)nc3c12 31820421 FIYCDPUUWULNIC-UHFFFAOYSA-N 311.370 2.977 0 40 DFAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1ccc(F)c(F)c1 38671070 CVHSVCRUFVCIJD-VIFPVBQESA-N 305.284 2.746 0 40 DFAB CCOC(=O)c1c(-n2cccc2)sc2c1CCN(C(C)=O)C2 70451590 NRJGSULLISPMBN-UHFFFAOYSA-N 318.398 2.620 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)nc1 72378628 XKVHOOGISMIUHO-QGZVFWFLSA-N 305.385 2.999 0 40 DFAB NS(=O)(=O)c1cncc(Cl)c1Sc1ccccc1 72210701 AYTYTVAAWOFHRY-UHFFFAOYSA-N 300.792 2.534 0 40 DFAB C[C@@H]1NC(=S)N(c2ccc3nc(C4CC4)sc3c2)C1=O 49488572 IJHXMHTWNAIFLK-ZETCQYMHSA-N 303.412 2.783 0 40 DFAB O=C(CSc1ccc2nncn2n1)Nc1cccc(Cl)c1 44890253 FTYWRAUSCVGSKX-UHFFFAOYSA-N 319.777 2.509 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 135761265 RDSKNGRXGFLMMM-VHRBIJSZSA-N 304.415 2.948 0 40 DFAB NC(=O)c1cc(Cl)c(I)c(Cl)c1 45919843 PPQCSLAMJFEELY-UHFFFAOYSA-N 315.925 2.697 0 40 DFAB CC(C)CC(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386280 ULDIFSRSOWEXSO-HNNXBMFYSA-N 314.385 2.601 0 40 DFAB CCS(=O)(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 225269751 VHBXYSBPNSAREO-UHFFFAOYSA-N 301.371 2.992 0 40 DFAB Cc1noc([C@@H](C)NC(=O)c2ccc(Cl)cc2)c1C(=O)O 96297018 MCOBCTDKDZGZHR-MRVPVSSYSA-N 308.721 2.826 0 40 DFAB biogenic,in-vitro COc1ccc(CN2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 96161570 NZBPQUSFRJBERC-HDICACEKSA-N 323.440 2.654 0 40 DFAB CSC[C@H]1CCN(S(=O)(=O)C[C@H](C)c2ccccc2)C1 96482434 MUUXOMIJNMIUNG-KBPBESRZSA-N 313.488 2.805 0 40 DFAB O=C(Nc1cccc(Br)c1)c1cnn2c1OCCC2 90583805 ZZUXSZPCCQZNSZ-UHFFFAOYSA-N 322.162 2.680 0 40 DFAB CC(C)Cc1nc(NC(=O)c2cc(-c3ccccc3)[nH]n2)n[nH]1 95473003 BYFKSQLAFPVXCT-UHFFFAOYSA-N 310.361 2.646 0 40 DFAB Cc1cc(NC(=O)N(C)C[C@H](C)O)nn1-c1ccccc1Cl 96495636 SMMRKVUKLFIURI-NSHDSACASA-N 322.796 2.679 0 40 DFAB C[C@H](CNC(=O)NCc1cccc(N(C)C)c1)c1nccs1 97375943 JUSPHRZFFYGMAW-GFCCVEGCSA-N 318.446 2.812 0 40 DFAB c1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nc1 96158456 XBAVACAMQZQGFB-UHFFFAOYSA-N 323.444 2.754 0 40 DFAB Cc1ccc(N2CCC[C@@]3(CCN(c4ncccc4C)C3)C2)nn1 96071629 JRADUGRIAGYMED-LJQANCHMSA-N 323.444 2.985 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1(C)C 96415604 SEHJREWRDBTSEB-CFVMTHIKSA-N 305.422 2.988 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCC[C@H]2CCCO2)o1 96503256 SHSBBEGRHVFMJF-HIFRSBDPSA-N 322.405 2.842 0 40 DFAB C[C@H]1OCCN(C(=O)c2ncoc2-c2ccc(F)cc2)[C@@H]1C 97095899 KJHIIFBEZUGEPF-GHMZBOCLSA-N 304.321 2.730 0 40 DFAB CC(=O)Nc1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 248575454 UUEKHXOHYNGEDK-XIRDDKMYSA-N 316.401 2.863 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NCCC1=CCCCC1 243196053 KCFCPAHFFYHQEA-UHFFFAOYSA-N 300.402 2.618 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1 257295896 RAIIXENETHPHGX-ZDUSSCGKSA-N 316.405 2.778 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 252587655 ZQWGEAOKMLJDGR-YOENINGUSA-N 321.442 2.648 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1F 257312323 UNKAQKPNBRUDBP-PBHICJAKSA-N 318.392 2.652 0 40 DFAB CCC(=O)N1CC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 257287880 PRWIBCQTYRVENO-AWEZNQCLSA-N 311.389 2.915 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1cccs1 252570986 XMTHWLLWOLLRTG-HAQNSBGRSA-N 321.377 2.797 0 40 DFAB CNc1nc(C)cc(C(=O)N(CC2CCC2)CC(F)(F)F)n1 294160710 BACIHVLMWDCRMJ-UHFFFAOYSA-N 316.327 2.631 0 40 DFAB O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CCCC1 48324252 QLDVRVTUVRRXDG-UHFFFAOYSA-N 303.362 2.703 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccncc2)c1 58161900 ZQODBZZCCSAMMJ-GUYCJALGSA-N 323.396 2.948 0 40 DFAB CC(C)c1noc(CCNC(=O)N(C)Cc2ccccc2)n1 69124004 VXWHFFPIUJIZEJ-UHFFFAOYSA-N 302.378 2.577 0 40 DFAB Clc1ccc2oc(N3CCN(c4ncccn4)CC3)nc2c1 215506677 SBDDCVHIDFFNCP-UHFFFAOYSA-N 315.764 2.598 0 40 DFAB Cc1ccc([C@H]2COCCN2CCc2ccccc2C(=O)O)o1 580838808 SPHMTBORNXGNKZ-MRXNPFEDSA-N 315.369 2.902 0 40 DFAB Cc1cnc(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)o1 582071559 WEXZFHHRZJPRDN-WKILWMFISA-N 316.401 2.994 0 40 DFAB Cc1c(Br)cccc1CNC(C)(C)C(=O)N(C)C 90554305 QBQLBGAALMNRPZ-UHFFFAOYSA-N 313.239 2.714 0 40 DFAB O=C1NCC[C@H]1Nc1ccc(Br)c(C(F)(F)F)c1 95428148 VQVNVHUJMDPDKT-SECBINFHSA-N 323.112 2.768 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 5251080 ZYQHQGWGNAGIBX-UHFFFAOYSA-N 324.714 2.873 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 5391225 SPCBYYNDSQYIRW-UHFFFAOYSA-N 324.283 2.619 0 40 DFAB O=C(O)CC1(CC(=O)Nc2ccc(C(=O)O)cc2)CCCC1 16807350 JRWSXBLQUVXWHT-UHFFFAOYSA-N 305.330 2.749 0 40 DFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2[nH]cnc2c1 17855895 XYXARRQDAWWIIJ-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB Cc1ccc(-n2nnc(C(=O)c3c[nH]c4ccccc34)c2N)cc1 19811660 HDUFAZKLZSJDBZ-UHFFFAOYSA-N 317.352 2.870 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(C)c(OC)c2)C(=O)O)[nH]1 7342486 ZVQKJPXGIOFFOM-WQLSENKSSA-N 319.386 2.902 0 40 DFAB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1c(C)noc1C 30524182 XWVFJLJSMMDOOS-NSHDSACASA-N 324.402 2.682 0 40 DFAB CCCNC(=O)[C@H](C)Nc1cc(Cl)c(OC)cc1OC 20360256 DBZFJJGYTATQNR-VIFPVBQESA-N 300.786 2.684 0 40 DFAB CCCS(=O)(=O)N1CCN=C1SCc1cccc(C)c1 2711580 BENZVOIZWGXOHB-UHFFFAOYSA-N 312.460 2.640 0 40 DFAB Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)no1 9204692 PNQONHFVHIQJRT-UHFFFAOYSA-N 303.299 2.574 0 40 DFAB CCN(CC)CCn1c(S)nc2ccc(Cl)cc2c1=O 20645237 RQVWKVOCNDMZNH-UHFFFAOYSA-N 311.838 2.680 0 40 DFAB Cc1cc(C)cc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 40013217 FFHLZATWXAJXIN-UHFFFAOYSA-N 310.397 2.821 0 40 DFAB COc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2C)cc1 1332839 IVAXLTKFNDCHPK-ZDUSSCGKSA-N 305.403 2.762 0 40 DFAB COCCCn1c(S[C@@H]2CCCc3ccccc32)n[nH]c1=O 70013534 GLFHSZCTZWPOKT-CQSZACIVSA-N 319.430 2.778 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCCOCc2ccco2)c1C 40479740 NRDIEODIBAOSPM-UHFFFAOYSA-N 318.373 2.764 0 40 DFAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1CC 3501373 QLEGREHVUAHAFK-UHFFFAOYSA-N 318.446 2.973 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 3850093 JVEWXTLFKFWQPU-NSQBNEAMSA-N 306.446 2.930 0 40 DFAB C[C@H](O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405629 IQZCUUWEXNFWMM-XPUUQOCRSA-N 323.702 2.691 0 40 DFAB O=C(COC1CCCCC1)Nc1ccc(-n2cccn2)nc1 40553142 HYWYZLOPBLUOGM-UHFFFAOYSA-N 300.362 2.555 0 40 DFAB COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678546 DIZUGBBYDMWLGI-TVQRCGJNSA-N 303.387 2.890 0 40 DFAB C[C@@H](O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 6703660 XEAFACLEGDPVEF-AFBMGJRZSA-N 317.385 2.800 0 40 DFAB COCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 7382376 AVUMCMWAMKGHFM-UHFFFAOYSA-N 310.397 2.795 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383042 FOOGZZKUTNDZES-UHFFFAOYSA-N 309.369 2.638 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3C)CC2=O)cc1 7976260 GGDNTMISIUSVTF-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB CC1CCN(c2ccc(C(=O)NC3CCSCC3)cn2)CC1 96403549 XSULDBYQHMGRCF-UHFFFAOYSA-N 319.474 2.943 0 40 DFAB CC(C)CC[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 58268393 CINHTZNWFXYMGN-GFCCVEGCSA-N 322.796 2.659 0 40 DFAB O=C(Nc1ccccn1)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102443864 MKUZWQTYXHPVDW-DIOPXHOYSA-N 323.400 2.607 0 40 DFAB O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccco1 32841268 FDNNPRVFARAIJW-UHFFFAOYSA-N 310.300 2.923 0 40 DFAB COc1ncccc1C(=O)N[C@@H](C)COc1ccc(F)cc1F 60014071 YSXCDGMBOMNSGB-JTQLQIEISA-N 322.311 2.566 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1C 22842626 IJXSWAFOASWODF-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB CCCCCNC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 29693520 FDIPKIBSWNSKGZ-VXGBXAGGSA-N 319.405 2.513 0 40 DFAB CN(C)/C=C1/CCN(c2ccc(OC(F)(F)F)cc2)C1=O 29763987 WYAHUEXFOXIAHY-KTKRTIGZSA-N 300.280 2.767 0 40 DFAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(N)=O 59680593 JFUJGLQRJJQCHW-UHFFFAOYSA-N 314.385 2.788 0 40 DFAB C[C@@H]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@@H]2CCCC[C@H]12 41908469 OOQZITNLJZBSST-RBSFLKMASA-N 308.466 2.966 0 40 DFAB O=C(CC(F)(F)F)Nc1cccc(OCCn2cccn2)c1 54019242 AZLNVQVJQBNGAV-UHFFFAOYSA-N 313.279 2.853 0 40 DFAB CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(C)C 23403289 YOKADVLYPROGIA-CQSZACIVSA-N 302.415 2.699 0 40 DFAB CCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2C)n1 42651229 IYAZVMPIAOKZQM-SECBINFHSA-N 316.390 2.676 0 40 DFAB CN(C)C(C)(C)CNC(=O)NC[C@H]1CCCc2ccccc21 43188762 VTNFRCHGWTZWLK-OAHLLOKOSA-N 303.450 2.746 0 40 DFAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)NCC1CCCCC1 25197375 VJTNLHAVWNXYFE-JTQLQIEISA-N 312.797 2.910 0 40 DFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccsc1 25327079 WHYZZHNGNCUZDZ-UHFFFAOYSA-N 314.410 2.914 0 40 DFAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cnn(C)c1 56030861 PVHRUMMUSFLBKP-NSHDSACASA-N 319.386 2.548 0 40 DFAB Cc1c(CC(=O)N2CCc3ccccc32)nnn1-c1ccccc1 57153711 PQYSAJHLZNUPRB-UHFFFAOYSA-N 318.380 2.708 0 40 DFAB CCCCOC(=O)[C@H](C)n1cnc2sc(CC)cc2c1=O 1892803 GPFKICSTEZYWAJ-JTQLQIEISA-N 308.403 2.925 0 40 DFAB COCCN(C(=O)c1nc(-c2ccco2)sc1C)C1CC1 44955505 UXZDSRBUYANKDU-UHFFFAOYSA-N 306.387 2.963 0 40 DFAB CCN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 3304189 BUDPSYJUTRGEPE-UHFFFAOYSA-N 315.389 2.622 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)c1ccco1 48234689 NECOMPMNVIXQFZ-HNNXBMFYSA-N 315.348 2.933 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 69417619 PNCYOXIVHXXXOU-KRWDZBQOSA-N 316.445 2.548 0 40 DFAB CCOC(C)(C)[C@@H](O)Cc1c(OC)ccc2ccc(=O)oc12 13334708 ZEJUDJOXRYEYKX-AWEZNQCLSA-N 306.358 2.520 0 40 DFAB biogenic,in-vitro COCCCNC(=O)[C@H](c1ccccc1)n1cnc2ccccc21 69619678 VWYCTPKRBNXMOV-SFHVURJKSA-N 323.396 2.778 0 40 DFAB O=C(CC(C1CC1)C1CC1)N1CCC(Nc2cccnn2)CC1 69699682 IDWHLBWDRYFASJ-UHFFFAOYSA-N 314.433 2.706 0 40 DFAB COc1cc(OC)c(CNC(=O)N2CCCC[C@@H]2C)c(OC)c1 69663409 WFVKLQAASNORRL-LBPRGKRZSA-N 322.405 2.796 0 40 DFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nccc(=O)[nH]1 8671884 LIGHJLLRNYIDSK-JHJVBQTASA-N 324.446 2.866 0 40 DFAB Cc1ccsc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 6319332 HIYLIWXBUDTNFS-HNNXBMFYSA-N 322.474 2.564 0 40 DFAB O=c1c2sccc2nc(SCCO)n1Cc1ccccc1 14075273 XFEZRMXBGYSAJP-UHFFFAOYSA-N 318.423 2.591 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 65553913 LBZPRLXXTFFJQD-LLVKDONJSA-N 319.792 2.981 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)CCOc1ccccc1 5560481 RLXMZYCGUJATMD-HNNXBMFYSA-N 319.401 2.790 0 40 DFAB Cc1ccc(CNC(=O)CCCc2ccc3c(c2)CC(=O)N3)cn1 69918078 BVXPDTKBSOCPFA-UHFFFAOYSA-N 323.396 2.524 0 40 DFAB O=C(Cc1cn2ccsc2n1)N[C@H]1C[C@@H]1c1cccc(F)c1 67091830 ITUAISHWYVIIPQ-KGLIPLIRSA-N 315.373 2.750 0 40 DFAB Cc1ccc(CSCCNC(=O)c2cccnc2O)cc1 18202436 VVOVTLSGKRSSSK-UHFFFAOYSA-N 302.399 2.759 0 40 DFAB COc1ccccc1C(=O)NCC(=O)NC1CCCCCCC1 15613458 NLSBNJGBDJXGNN-UHFFFAOYSA-N 318.417 2.654 0 40 DFAB CCN(CC)C(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 7408449 AHSLSROTDLHKPD-UHFFFAOYSA-N 312.373 2.519 0 40 DFAB Cc1ccccc1[C@H](NC(=O)CCCNC(=O)C1CC1)C1CC1 89689148 NGNKNKVKQQPAPE-GOSISDBHSA-N 314.429 2.869 0 40 DFAB CCCCS(=O)(=O)N[C@@H](C)c1nc2c(s1)CCCC2 71914104 IBMVHLBAUZFILG-JTQLQIEISA-N 302.465 2.802 0 40 DFAB COc1ccccc1CN(Cc1ncc[nH]1)C[C@@H]1CCCO1 71908297 GCGNFBFYIMLKNH-HNNXBMFYSA-N 301.390 2.600 0 40 DFAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)C1=CCCCO1 89768021 JCPAIZYNFPYJCD-LLVKDONJSA-N 316.184 2.837 0 40 DFAB CCc1ccc([C@H](C)N[C@@H]2CCCN(c3cccnn3)C2)o1 89732939 GUNHWVFMVBGXRC-UONOGXRCSA-N 300.406 2.952 0 40 DFAB COC(=O)[C@@H](C)CSCc1nc(Cc2ccccc2)no1 89904122 ZZOOBAKRCQCDGP-NSHDSACASA-N 306.387 2.703 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc2cccnc12 89969136 LKGARYDUAAPFPJ-INIZCTEOSA-N 313.401 2.945 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(C(N)=O)o1 89904148 CDOCZHBJPODPQY-LBPRGKRZSA-N 322.364 2.893 0 40 DFAB NC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 72293703 SVZGKYIYSXNMGI-LSDHHAIUSA-N 314.772 2.725 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCO1 97055011 QUXGYHXHQMAEKX-GWCFXTLKSA-N 301.308 2.932 0 40 DFAB CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1noc(C)n1 89948027 SEIPZLKBDHNIBD-SNVBAGLBSA-N 313.716 2.757 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1nccs1 97114648 WGKDMWSNBICQSJ-ZWNOBZJWSA-N 317.414 2.939 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)NC[C@@]2(C)CCCS2)c1 84673476 WOQFEPXPOOGTSN-VLIAUNLRSA-N 312.460 2.831 0 40 DFAB CC(C)COc1ccc([C@H](C)NC(=O)N2CCOCC2)cc1 95412290 WHRGFGRRMZWOTQ-AWEZNQCLSA-N 306.406 2.824 0 40 DFAB CCN(CC)c1ncc(CNC[C@@H]2CCCn3ccnc32)s1 84774531 PLRIYVJLADVNOJ-ZDUSSCGKSA-N 319.478 2.853 0 40 DFAB COc1ccccc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F 78726317 RUMJMUIWMGMEMI-KRWDZBQOSA-N 321.323 2.611 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(NC(N)=O)cc1 78808615 DYWPRFWWMYDFDW-CQSZACIVSA-N 305.378 2.854 0 40 DFAB COC[C@@H](O)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 95972315 ZYTXSKFZWRSZBZ-AWEZNQCLSA-N 319.445 2.773 0 40 DFAB CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)n1 95994351 GPWXGZREUQXICG-ZDUSSCGKSA-N 308.426 2.696 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)NC[C@H]1CCC[C@H]1O 74316984 GNPPCRJAMJKROD-CZUORRHYSA-N 318.417 2.578 0 40 DFAB CCOc1nnc(CN(C)[C@H]2CCc3ccccc3C2)s1 79311738 XUKUYQIGHFVXII-AWEZNQCLSA-N 303.431 2.926 0 40 DFAB CCN1CCC[C@H]1CNCc1cc2cc(C)c(C)cc2[nH]c1=O 23247894 ZQSJBLIXHYUUEX-KRWDZBQOSA-N 313.445 2.719 0 40 DFAB CCOC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1 39348545 HDYDVFOKRUEKRB-UHFFFAOYSA-N 303.358 2.909 0 40 DFAB CC(C)n1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)n1 179266546 GYJDJPYJENXKIZ-HZPDHXFCSA-N 309.479 2.951 0 40 DFAB CCOC(=O)C1CCN(C(=O)Cc2ccccc2Cl)CC1 35152675 NNSYJFMLAHUAAH-UHFFFAOYSA-N 309.793 2.684 0 40 DFAB CCS[C@H]1CC[C@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72838116 UIYRSKZEZWPSDQ-GJZGRUSLSA-N 317.458 2.801 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2ccnc(-c3ccccn3)n2)ncn1 72355854 WMMCPUQJLILNIK-MRXNPFEDSA-N 318.384 2.979 0 40 DFAB CS(=O)(=O)Cc1cccc(Nc2cnc3ccccc3n2)c1 58545848 ATLNTMILKZHJGC-UHFFFAOYSA-N 313.382 2.918 0 40 DFAB Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@H](N)c1ccccc1 72224760 FDXROKGVPQOLSY-HXUWFJFHSA-N 324.472 2.969 0 40 DFAB Cc1cnn(CCC(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 78227090 MMGFFJBAHKMVCY-CYBMUJFWSA-N 321.808 2.819 0 40 DFAB CSc1nc(C)cc(N2CCc3cc(C(=O)O)ccc32)n1 226105520 OUTAGHABVVSLAY-UHFFFAOYSA-N 301.371 2.899 0 40 DFAB CCc1cc(OC)ccc1[C@@H]1NC(N)=Nc2nc3ccccc3n21 225746305 JCOBCUFCGJQRGC-MRXNPFEDSA-N 321.384 2.704 0 40 DFAB Oc1[nH]c(=S)nc2c1cnn2-c1cccc(Br)c1 85397949 MBPDNMCARIAUAO-UHFFFAOYSA-N 323.175 2.946 0 40 DFAB O=C(NCc1nccc(N2CCCC2)n1)Nc1ccc(F)cc1 224152695 KJHVOEOVPDKKLP-UHFFFAOYSA-N 315.352 2.538 0 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2.797 0 40 DFAB Cc1ccc(C(=O)N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)cn1 257309371 UARGBLRIMUUBCS-QGPMSJSTSA-N 322.412 2.521 0 40 DFAB COc1cc(C(=O)O)ccc1CCNC(=O)c1sccc1C 263318655 IFKKQBMVEXSUII-UHFFFAOYSA-N 319.382 2.736 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](CO)Cc2ccncc2)CC1 277655638 OONDKBFXOUONSG-BRWVUGGUSA-N 304.434 2.564 0 40 DFAB CCC1CCC(NC(=O)C(=O)N[C@H](C)c2ccccc2)CC1 283926217 JFPFESYNMUJQME-VQCLRJIVSA-N 302.418 2.949 0 40 DFAB C1CC(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)C1 585105478 XJSPUNLZOZAUEL-MRXNPFEDSA-N 311.491 2.790 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 50736067 DUPPWJFQKMUOBS-DZGCQCFKSA-N 320.408 2.983 0 40 DFAB CON(C)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 58307750 BKGFTUZZOUKTQR-UHFFFAOYSA-N 314.370 2.629 0 40 DFAB CC(=O)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 60816196 ONCGBCGAQGLTNX-QGZVFWFLSA-N 322.364 2.781 0 40 DFAB CN(Cc1ccco1)C(=O)CSc1nncc2ccccc12 69439725 IIPDTYMANODYLY-UHFFFAOYSA-N 313.382 2.974 0 40 DFAB Cc1cc(C)c2c(C)c(C(=O)NCCCC(=O)O)sc2n1 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DFAB COc1cc([C@H](C)NC(=O)NCc2cc(C)on2)ccc1F 95451682 FBXGJIRJIXXFCJ-JTQLQIEISA-N 307.325 2.691 0 40 DFAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 141677424 NGDKSUMWAZNTCW-LEUOFYLZSA-N 317.344 2.646 0 40 DFAB CC(C)[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccccn1 96428103 KVGLOZXQSGYFAJ-OAHLLOKOSA-N 322.434 2.535 0 40 DFAB Cc1nnnn1-c1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1 95472804 PVZVHBBPOLZKCY-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Fc1ccc2c(c1)OCCC[C@@H]2NCCOC[C@@H]1CCCO1 97237998 HSADIYVNLHCEND-HOCLYGCPSA-N 309.381 2.825 0 40 DFAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96208988 PLEQIYCCUXQSCP-MRXNPFEDSA-N 320.433 2.842 0 40 DFAB Cc1csc(CCCNC(=O)N2CCS[C@@H](C)[C@H]2C)n1 96411439 AVUOIALXKHWIRN-NEPJUHHUSA-N 313.492 2.920 0 40 DFAB CCc1noc(CN2CCC[C@@H](COc3ccccc3)C2)n1 96411360 ZHLRXDDPLOPRJK-CQSZACIVSA-N 301.390 2.923 0 40 DFAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244422524 YUJRFLGEYBJMFP-CMPLNLGQSA-N 308.809 2.916 0 40 DFAB NC[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648937 RLGBCRXMAXFZDA-OAGGEKHMSA-N 321.829 2.855 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 246581125 NLOKLZYHOWSEFE-KYJSFNMBSA-N 314.429 2.855 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 251348406 RRDCXPVIBAYKCQ-JKIFEVAISA-N 324.490 2.725 0 40 DFAB CO[C@@H](CNC(=O)c1snnc1C)c1cc2ccccc2o1 253471770 FQTGIGSCHOCYCF-ZDUSSCGKSA-N 317.370 2.710 0 40 DFAB COc1cccc2c(N3CC[C@H](n4cncn4)C3)cc(C)nc12 364237776 PJZLEZOKTVKOBR-ZDUSSCGKSA-N 309.373 2.595 0 40 DFAB Cc1cnn(CCN[C@H](C)c2nnc(-c3cccs3)o2)c1 70005001 NLVZJVLNRBSSCF-LLVKDONJSA-N 303.391 2.654 0 40 DFAB COCc1ccc([C@@H]2CCCN2[C@H](C(=O)O)c2cccnc2)o1 568758176 JNHQMJWZXNIUSC-HOCLYGCPSA-N 316.357 2.784 0 40 DFAB CC(C)n1cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1 72300138 WPPKNOVZEGCUBG-ZDUSSCGKSA-N 309.391 2.583 0 40 DFAB Cc1cc(OCC2CCN(Cc3c(C)noc3C)CC2)ncn1 1565520673 CXUNJRCZPVNJTJ-UHFFFAOYSA-N 316.405 2.681 0 40 DFAB CCCO[C@H]1CCCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 95978397 KZAQUVORJSLQQY-DOMZBBRYSA-N 307.438 2.938 0 40 DFAB COc1ccc(NC(=S)NCc2ccncc2)cc1OC 13838693 VTPKAGQTBYKVLI-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB CC(C)OCCCNS(=O)(=O)Cc1ccc(Cl)cc1 14291492 KLHUACGYBJVFPH-UHFFFAOYSA-N 305.827 2.575 0 40 DFAB CCOc1ccccc1C(=O)Nc1c(C)nc2ccccn2c1=O 17315841 CHRBSKLBPVNLOR-UHFFFAOYSA-N 323.352 2.654 0 40 DFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1 19571565 YWRRHWBUYLHUFH-RISCZKNCSA-N 306.369 2.754 0 40 DFAB CCS[C@H]1CC(=O)N(c2ccccc2Br)C1=O 101273769 YHLZMHOOUMGEPD-JTQLQIEISA-N 314.204 2.834 0 40 DFAB O=C(CC1CCCC1)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924431 HZFQXBFQVQPQFA-OAHLLOKOSA-N 300.402 2.736 0 40 DFAB Cc1ccsc1CCC(=O)N[C@H]1CCN(c2nccs2)C1 575605062 GPCWAMSQVMZEHJ-LBPRGKRZSA-N 321.471 2.841 0 40 DFAB O=c1ccc2ccc(OS(=O)(=O)c3cccs3)cc2o1 3209213 NKMYJEOGINBNGE-UHFFFAOYSA-N 308.336 2.622 0 40 DFAB CC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3317785 UNCFKUARVLWHHL-UHFFFAOYSA-N 318.200 2.851 0 40 DFAB CC(C)c1noc(CN2CCc3nc4ncccc4cc3C2)n1 2087013800 GTOCHHZZIXJBQM-UHFFFAOYSA-N 309.373 2.695 0 40 DFAB Cc1cccc(C)c1NC(=O)c1cc2cccnc2n(C)c1=O 5303674 VGGPXOCVALHGLI-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)CC(=O)[C@@]3(C)C2)c(C)c1 100113458 XEHASGGCKVTPLQ-STEAMIEHSA-N 311.381 2.798 0 40 DFAB Cc1ccc(CNC(=O)c2c(O)c3sccc3[nH]c2=O)cc1 49409560 YKCYVWCSQFYFSB-UHFFFAOYSA-N 314.366 2.534 0 40 DFAB COc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 360196837 ZPITWFNYIOBIKT-UHFFFAOYSA-N 302.418 2.576 0 40 DFAB Cc1noc(CNC(=O)NC(c2ccccc2)c2ccccc2)n1 44455300 PZBYBNMLMLOCHN-UHFFFAOYSA-N 322.368 2.967 0 40 DFAB CCCCn1nnnc1CN1CCC[C@@H]1c1cccc(OC)c1 40038982 KQYPPQIXHZSQGD-MRXNPFEDSA-N 315.421 2.819 0 40 DFAB CCc1nnc(NC(=O)c2coc(Br)c2)s1 30611736 BJVUOXSMZXHJBM-UHFFFAOYSA-N 302.153 2.708 0 40 DFAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1nnc2ccccn12 40468470 OZRGJDRMWYKELP-OAHLLOKOSA-N 321.384 2.776 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1CNc1cccc(Cl)c1)[C@H]1C=C[C@H]2C1 100537668 QRZWZSAHUUMHES-NUZBWSBOSA-N 302.761 2.517 0 40 DFAB CCCCc1noc([C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 40511407 QJJPTSSTJYBILU-SECBINFHSA-N 301.350 2.755 0 40 DFAB O=C(O)CCNC(=O)Cc1csc(-c2ccccc2Cl)n1 20727740 WXUQKPUOBLEZPG-UHFFFAOYSA-N 324.789 2.597 0 40 DFAB CCOC(=O)N[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 40541241 ACUOZLDOAJFUJH-INIZCTEOSA-N 318.417 2.746 0 40 DFAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 20567981 DLTPDWQFBJRFCM-OAHLLOKOSA-N 321.808 2.900 0 40 DFAB CC(C)(C)c1ccc(OCCNC(=O)C2CCOCC2)cc1 32722452 OHPWLFHKYGZLJN-UHFFFAOYSA-N 305.418 2.906 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)N(C)c2ccccc2)c1 32804227 YEHZDFCVFIOAMJ-UHFFFAOYSA-N 320.414 2.508 0 40 DFAB CC(=O)Nc1ccc(C(=O)OCc2nccn2C(F)F)cc1 32853936 RUWLBCDKGHNVSH-UHFFFAOYSA-N 309.272 2.594 0 40 DFAB COc1cccc(N2CCN(c3ncnc4ccccc34)CC2)c1 52712883 NVZCAFLLKVZHNT-UHFFFAOYSA-N 320.396 2.965 0 40 DFAB Cc1cc(C)c(NC(=O)CNC(=O)Nc2cc(C)on2)c(C)c1 53246535 TTWZMJCCVAWGPA-UHFFFAOYSA-N 316.361 2.668 0 40 DFAB O=C(/C=C1\OC(=O)c2ccccc21)OCC(=O)c1ccccc1 993198 GLTJLLAXRUHCEI-YBEGLDIGSA-N 308.289 2.624 0 40 DFAB CCn1c(C)cc(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 54456946 GEGSFYUSBYTRDG-CQSZACIVSA-N 314.385 2.695 0 40 DFAB CC(C)CN1CCC(NC(=S)NCc2ccc(F)cc2)CC1 42625158 ASXXWPHPEZMUSJ-UHFFFAOYSA-N 323.481 2.910 0 40 DFAB CCCOc1ccc(C(=O)CCN[C@H](C(=O)O)C(C)C)cc1 2922110 VOHOCFQZBUJFRB-INIZCTEOSA-N 307.390 2.747 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 4679967 YSXSBGVBEQGPRQ-OZVIIMIRSA-N 324.446 2.748 0 40 DFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c1O 4922960 UHIQEUHYXIHGDW-ZDUSSCGKSA-N 313.353 2.562 0 40 DFAB Cc1noc(CCCC(=O)N(C)C2C3CC4CC(C3)CC2C4)n1 57113569 QNSOIFKQNMGFTI-UHFFFAOYSA-N 317.433 2.984 0 40 DFAB Cc1nc(C2(NC(=O)Cc3csc(C)n3)CCCCC2)no1 26491555 RWMUDLCXWIUNMM-UHFFFAOYSA-N 320.418 2.661 0 40 DFAB O=c1c2ccsc2ncn1Cc1cn2cc(Cl)ccc2n1 7675848 AIENNQMKAGDQBB-UHFFFAOYSA-N 316.773 2.807 0 40 DFAB COc1ccc2c(c1)CN(C(=O)CCc1c(C)noc1C)CC2 57408221 KBQYSLHKZVVZGG-UHFFFAOYSA-N 314.385 2.818 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)c1ccc2nccnc2n1 95463029 OIYMDKCGDMMFCG-UHFFFAOYSA-N 308.385 2.802 0 40 DFAB CC[C@@]12C[C@@]1(C(=O)OC)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]12 104218729 MUSGCDBEXYWBFP-MNEFBYGVSA-N 324.380 2.567 0 40 DFAB NC(=O)NC(=O)CCN1CCC[C@H]1c1cccc2ccccc12 58137470 SSGWSJZTQLUPEC-INIZCTEOSA-N 311.385 2.562 0 40 DFAB Cc1noc(C)c1CSc1ncccc1C(=O)NC1CC1 27769528 YWMQIKOIMWXORY-UHFFFAOYSA-N 303.387 2.871 0 40 DFAB O=C(CCC(=O)N1CCC[C@H]1CN1CCCC1)c1ccccc1 58368155 DSZGEFIYIKKZOX-KRWDZBQOSA-N 314.429 2.736 0 40 DFAB CC(C)OCCCNC(=O)CCc1nc(-c2ccccc2)no1 2200513 KLOICXAGLQCBOT-UHFFFAOYSA-N 317.389 2.601 0 40 DFAB CCC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)c1ccccc1 10908201 VBIKBMGOTHSQDL-CYBMUJFWSA-N 317.414 2.693 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3cc(C)ccc3O)ccc21 28642730 RWYWHUMBMGGTNI-UHFFFAOYSA-N 310.353 2.862 0 40 DFAB CCCn1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 28240889 NZHVWUVVLZFCRO-LBPRGKRZSA-N 317.389 2.801 0 40 DFAB O=C(Nc1ccncc1)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 103150808 GCFJNEQAGPMFLT-DIOPXHOYSA-N 323.400 2.607 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccsc1 36686434 QYINTSARYIBOSA-IAQYHMDHSA-N 303.383 2.935 0 40 DFAB Nc1ccc2c(c1Br)=N[C@H](c1ccc(Cl)cc1)N=2 103533615 OMRIYLFTNADZDH-CYBMUJFWSA-N 322.593 2.636 0 40 DFAB COCCn1cc(NC2CCN(c3ccccc3)CC2)cn1 95983202 DKUXVOKRCQISFJ-UHFFFAOYSA-N 300.406 2.610 0 40 DFAB O=C(NCc1ccc(N2CCCCC2)nc1)NCc1ccoc1 45878569 LUOXXRQBIKBCSS-UHFFFAOYSA-N 314.389 2.664 0 40 DFAB Cc1cc(F)ccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12760737 QBESMKNAUPOWRM-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB O=C(NC[C@H]1CCOCO1)Nc1ccc(Cl)c(Cl)c1 95428460 JWDZGSWXYDSNHO-SECBINFHSA-N 305.161 2.878 0 40 DFAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccccn1 61721028 JSSGKBHAMNIKSE-KRWDZBQOSA-N 324.384 2.570 0 40 DFAB Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@H](CO)C2)c1 74768987 KYWSGXYDDVBQJG-HOTGVXAUSA-N 304.434 2.648 0 40 DFAB CC(C)CN(C)C(=O)Nc1ccccc1CN1CCOCC1 62403575 AWDADBIUKSZVCF-UHFFFAOYSA-N 305.422 2.639 0 40 DFAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1Br 12944041 UJTZALLVFVTTDE-SECBINFHSA-N 321.174 2.628 0 40 DFAB C[C@@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br 49091722 YZVGTOUKHDPZFI-SECBINFHSA-N 323.190 2.791 0 40 DFAB COC(=O)c1cncc(C(=O)N2CCC3(CCCCC3)C2)c1 95453199 HGRUSMVHROZSLN-UHFFFAOYSA-N 302.374 2.665 0 40 DFAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCCCC2)c1 14118578 JFLZBAHSBQUHML-UHFFFAOYSA-N 316.430 2.929 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC1CCCC1 14111044 NRRNEOURFNNUKX-UHFFFAOYSA-N 311.385 2.731 0 40 DFAB COc1cccc(NC(=O)CN(C)C(=O)c2cccc(F)c2)c1 5510519 BPQBTPIYRJEXLU-UHFFFAOYSA-N 316.332 2.545 0 40 DFAB Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)c1 5679523 ASSDQGOAQRQBMN-ZDUSSCGKSA-N 319.401 2.942 0 40 DFAB Cc1cc(-n2cc(C(=O)NCc3cccs3)nn2)ccc1F 67262006 QYDACQHDAQBNJV-UHFFFAOYSA-N 316.361 2.706 0 40 DFAB Cc1cccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)c1 67262040 JXAISPVUBSFTOL-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCCN(c2nccs2)CC1 71836548 FNUAXGBXHMZECH-QWHCGFSZSA-N 317.414 2.579 0 40 DFAB Cc1cc(C)n(C2CN(Cc3nc4ccccc4nc3C)C2)n1 71880938 KKCOACXLIWKLPN-UHFFFAOYSA-N 307.401 2.808 0 40 DFAB COc1ccc(OCCOC(=O)c2c(C)cc(=O)oc2C)cc1 16313906 XBVBCVRVDPAEKZ-UHFFFAOYSA-N 318.325 2.501 0 40 DFAB Cc1nc(C(=O)N[C@H]2CCc3c(O)cccc32)c2n1CCCC2 81726821 LXNDUCOBVDQLND-AWEZNQCLSA-N 311.385 2.651 0 40 DFAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1C1CC1 8346177 RODBFPJJBCIOSL-UHFFFAOYSA-N 310.357 2.862 0 40 DFAB O=C(OCc1ccccc1Cl)c1cccc(-n2cnnn2)c1 8312016 HUIPLPKDXRFPMA-UHFFFAOYSA-N 314.732 2.673 0 40 DFAB CCc1n[nH]c(SC[C@@H]2CC(c3c(F)cccc3F)=NO2)n1 71916382 JGLDNQRHEOXTJJ-QMMMGPOBSA-N 324.356 2.931 0 40 DFAB Cc1cc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)on1 69415208 ZBTBGTSLUJFWTE-HNNXBMFYSA-N 319.748 2.604 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 8486594 HRHXEXWTKLTDGZ-UHFFFAOYSA-N 320.348 2.951 0 40 DFAB COC(=O)c1cccn1C1CCN(C(=O)c2ccsc2)CC1 69537255 LHRIQSVDYCIJPM-UHFFFAOYSA-N 318.398 2.814 0 40 DFAB Cc1ncsc1CNC(=O)NCCO[C@H]1CCCC[C@H]1C 69595537 HTYLBMSVNBFJGB-YPMHNXCESA-N 311.451 2.846 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](n2ccnc2C)C1 69770532 YQXBKIDYPYYIRV-CYBMUJFWSA-N 302.378 2.528 0 40 DFAB O=S(=O)(CCSC[C@H](O)c1ccccc1)c1ccccc1 69739267 YJWQDAMVXBSLDA-INIZCTEOSA-N 322.451 2.927 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCCC[C@@H]1C1OCCO1 71186258 QYCWUTNJTUTVFJ-CQSZACIVSA-N 309.793 2.637 0 40 DFAB CCN1CCN([C@H]2CCN(Cc3ccc(C)cc3C)C2)CC1 93133035 KKYQDZSTCJLVRW-IBGZPJMESA-N 301.478 2.515 0 40 DFAB Cc1ccc2c(c1)N(C(=O)c1ccnc(O[C@H]3CCOC3)c1)CC2 97110061 AKAUCSPQFJKXJW-INIZCTEOSA-N 324.380 2.761 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1cccnn1 97161702 IYBXFKGORATJKP-SNVBAGLBSA-N 302.382 2.619 0 40 DFAB COc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1 97159731 PADRQMQGDXLDBM-UHFFFAOYSA-N 308.385 2.781 0 40 DFAB CC(C)N(C)S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 72301194 RNIYCNSUKVLQIK-UHFFFAOYSA-N 312.313 2.582 0 40 DFAB O[C@H](C[C@@H]1CCCCCN1CC1OCCO1)c1cccs1 95992517 CPIUJSASUPWAER-UONOGXRCSA-N 311.447 2.789 0 40 DFAB Cc1cnc(N2CCC(c3nncn3C(C)C)CC2)nc1C 95994772 MOZUCLOXUKOWDK-UHFFFAOYSA-N 300.410 2.650 0 40 DFAB CC(C)n1cc(NC(=O)NC[C@@](C)(O)c2ccsc2)cn1 84633171 VCKJITMEVNBLLF-CQSZACIVSA-N 308.407 2.555 0 40 DFAB CC(C)CCOc1cccc(NC(=O)NC[C@H]2CCOCO2)c1 95452796 QZALODSKDHSYLD-MRXNPFEDSA-N 322.405 2.996 0 40 DFAB CS(=O)(=O)c1ccc(CCNc2nc3ccccc3[nH]2)cc1 95447166 MUEYLICSUUPTSP-UHFFFAOYSA-N 315.398 2.621 0 40 DFAB CN(C(=O)Nc1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O 75139917 XTWHXSBXUMWYAT-INIZCTEOSA-N 324.384 2.741 0 40 DFAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(F)c2)c1 25427489 FCILVBLQRVQFJV-UHFFFAOYSA-N 324.329 2.805 0 40 DFAB Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H](O)C12CCCC2 554487592 VRCKTQFWTYTISL-ZDUSSCGKSA-N 306.406 2.701 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 27337670 NSQPOGREHDGRDO-AWEZNQCLSA-N 302.418 2.762 0 40 DFAB CN(C)c1ccccc1NC(=O)N[C@H](CCO)c1ccccc1 77674780 ZRCAQQYCNKMKII-OAHLLOKOSA-N 313.401 2.998 0 40 DFAB CCn1nc(C)c(C(=O)NCc2csc(C3CC3)n2)c1C 69748474 MZSTZKWSHNRBGS-UHFFFAOYSA-N 304.419 2.784 0 40 DFAB CCN1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1 72393699 JLUIJJYIEKMQGZ-UHFFFAOYSA-N 312.339 2.719 0 40 DFAB Nc1nc(Cl)cc(NCc2coc(-c3ccccc3)n2)n1 78341181 JXKSGXFHHJPZPK-UHFFFAOYSA-N 301.737 2.979 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1ccc(Cl)c(F)c1 77680987 RLCWLYHVUKYXBB-SECBINFHSA-N 306.790 2.715 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC[C@](C)(O)CCSC 75157483 IHQIRKMWAPPIDM-CQSZACIVSA-N 317.838 2.583 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](O)(CN)c1ccccc1 72208047 ABCTVXSHTFGKGD-QAPCUYQASA-N 320.433 2.623 0 40 DFAB C[C@H]1Cc2ccccc2CN1C(=O)N[C@H](C)c1csnn1 562729188 HSNYZMWFFGZQDT-WDEREUQCSA-N 302.403 2.756 0 40 DFAB C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1csnn1 562729187 HSNYZMWFFGZQDT-QWRGUYRKSA-N 302.403 2.756 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1 79415777 MAXBEYWPSYQWFY-BZSNNMDCSA-N 317.477 2.529 0 40 DFAB Cc1nscc1C(=O)N1CCN(c2ccccc2F)CC1 40757202 NVCJTIKPJHERIX-UHFFFAOYSA-N 305.378 2.553 0 40 DFAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccccc1F 225317991 VFQCJVSVQXZZMY-UHFFFAOYSA-N 305.280 2.692 0 40 DFAB CCCCn1nc(-c2ccc(OCC)cc2)cc(C(=O)O)c1=O 225962966 OMHFKLFKCDFUAL-UHFFFAOYSA-N 316.357 2.807 0 40 DFAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NCC 224392686 XKOFQKPRDRHFRY-OAHLLOKOSA-N 308.397 2.869 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 329021848 MITOMNZDHJCDRM-CQSZACIVSA-N 311.389 2.671 0 40 DFAB Cc1ccc(C)c(OC(=O)Cc2ccc(-n3cnnn3)cc2)c1C 47440741 UVIVPWZYSZWAKI-UHFFFAOYSA-N 322.368 2.736 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@@H](CO)[C@@H](C(F)(F)F)C1 199562857 HDIAFCPGZDGNRK-STQMWFEESA-N 317.307 2.816 0 40 DFAB C[C@@H](CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1)C(=O)O 195552012 SVTLTQDUXRGGHC-VIFPVBQESA-N 304.321 2.632 0 40 DFAB CCn1cc(C(=O)OCC(=O)NC2CCCCC2)c(C(C)C)n1 96418295 CQQDYLIBQSLDHS-UHFFFAOYSA-N 321.421 2.632 0 40 DFAB O=C(NCCCC(=O)N1CCC2(CCCCC2)CC1)C1CC1 96403151 LARZJACGYWZJBS-UHFFFAOYSA-N 306.450 2.866 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccccc1F 96518643 RKKFHQVCEQOJLY-LLVKDONJSA-N 323.183 2.554 0 40 DFAB Cc1ccc(C[C@H](C)NC(=O)c2c(O)nnc(C)c2C)s1 96413917 YBSWENIIPWTUAX-QMMMGPOBSA-N 305.403 2.530 0 40 DFAB COC(=O)c1cc(F)c(N2C[C@@H](C)O[C@H](C)C2)c(F)c1F 98210498 RUNLBZXPPGWNMB-HTQZYQBOSA-N 303.280 2.504 0 40 DFAB Fc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1 96048917 DELMDVSYXMYRRK-UHFFFAOYSA-N 318.436 2.903 0 40 DFAB C[C@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc2NC1=O 96418389 CIQQKUDRMDZDCD-QWHCGFSZSA-N 302.374 2.567 0 40 DFAB Cc1nnc(CN2CCN(C3CCC(C(C)C)CC3)CC2)o1 96460862 VMVPQVCTWFQNRI-UHFFFAOYSA-N 306.454 2.710 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1 93561029 IDHFRYXYPRVBHW-XJKSGUPXSA-N 301.390 2.709 0 40 DFAB CCOCCC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 96496351 RHWIHNGOFOUPDI-LLVKDONJSA-N 314.788 2.601 0 40 DFAB Cc1cc(C(=O)Nc2ccc(C)c(O[C@H]3CCOC3)c2)on1 95408074 QDCSRLXZZPUING-ZDUSSCGKSA-N 302.330 2.711 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(Oc2cccnn2)CC1 96102902 OMRIZDIMWVTVPK-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB O=C(C1CCOCC1)N1CCC[C@H]1COc1ccc(F)cc1 242263452 XZHDNKDWVPSVRM-HNNXBMFYSA-N 307.365 2.622 0 40 DFAB C1CCC(CO[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)C1 247938882 HRZACAAJDADVCL-QGZVFWFLSA-N 309.450 2.606 0 40 DFAB Cn1ccc2cc(C[C@H]3COCCN(c4ncccn4)C3)ccc21 257337116 YRLFQYBVENMRSU-MRXNPFEDSA-N 322.412 2.664 0 40 DFAB Cc1nc(NC(=O)c2cccnc2O[C@@H]2CCOC2)sc1C 253399095 IKWSJLUOTFAYHT-LLVKDONJSA-N 319.386 2.575 0 40 DFAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1cnc(-c2ncc[nH]2)cn1 257298760 RNENNTZDLZTYSZ-CQSZACIVSA-N 313.405 2.966 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccccc2C)n1 257255651 KIIOSVWYJCDHCJ-CYBMUJFWSA-N 305.403 2.552 0 40 DFAB O=C(NC1CCOCC1)c1cncc(Cc2cccc(F)c2)c1 257227200 FOBSSZGCKZONRX-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB Cc1cccnc1CN1CCC(c2cc(O)n3nccc3n2)CC1 257280325 OKKLWODRDOCHKM-UHFFFAOYSA-N 323.400 2.518 0 40 DFAB CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(CO)c(F)c2)CCO1 272815489 MNGLHICGUDDVLU-GUYCJALGSA-N 323.408 2.776 0 40 DFAB C[C@@](O)(CNC(=O)N[C@@H]1CCCc2ccccc21)c1ccco1 73432932 XVTVKXQTLDCVJN-CRAIPNDOSA-N 314.385 2.864 0 40 DFAB CN(Cc1nc(-c2ccoc2)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 75145398 MVVQVAZRZHEWIM-YUTCNCBUSA-N 303.362 2.575 0 40 DFAB CCc1n[nH]c([C@H]2CN([C@@H](C)c3ccccc3F)CCO2)n1 83830072 CRAGUMZLVORVDV-SMDDNHRTSA-N 304.369 2.641 0 40 DFAB CC1CCN(C(=O)c2ccc(NC[C@@H]3CCC[C@H]3O)nc2)CC1 76061411 GUVQPYIAWAYGGT-GOEBONIOSA-N 317.433 2.527 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)SCC[C@H]2C(=O)O 91303134 CGSCROSVNZFDMC-JTQLQIEISA-N 301.408 2.594 0 40 DFAB CCCOc1ccc(S(=O)(=O)NCC)cc1OCCC 72414176 GICNAIHMHGHOAX-UHFFFAOYSA-N 301.408 2.562 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccnc2N)C1 1959373115 DKMRXNHKBDKPSB-GFCCVEGCSA-N 306.410 2.723 0 40 DFAB COCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615156717 JZGJTNFXMCZFLS-HOTGVXAUSA-N 320.408 2.820 0 40 DFAB COc1ccc(-c2cc(CC(=O)NCc3ccco3)no2)cc1 12866577 QDQVTBDFKKUROZ-UHFFFAOYSA-N 312.325 2.802 0 40 DFAB Nc1nonc1N[C@@H]1CC(=O)C[C@H](c2ccc(Cl)cc2)C1 19974018 ORMYHAJTBJPFEB-KOLCDFICSA-N 306.753 2.623 0 40 DFAB O=C(COC(=O)c1ccc(Cl)s1)NCc1cccs1 4242567 ICUNRZJCTSSFDW-UHFFFAOYSA-N 315.803 2.936 0 40 DFAB Cn1cc(NC(=O)COc2ccc(Cl)cc2Cl)cn1 24585751 UUMYNUPNSGMAAX-UHFFFAOYSA-N 300.145 2.744 0 40 DFAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100057837 MPKRHHROHHFBBJ-YHUYYLMFSA-N 307.349 2.591 0 40 DFAB Cc1nnc2sc(SCc3ccc(Cl)cc3)nn2c1=O 4338858 CVALHODZKLPIKF-UHFFFAOYSA-N 324.818 2.800 0 40 DFAB biogenic O=C(/C=C/c1ccoc1)NC[C@H](c1cccs1)n1cccn1 575613956 MRDWRIASPSWJNB-ISZGNANSSA-N 313.382 2.957 0 40 DFAB Cc1nc2ccccc2nc1NCCCN1C[C@H](C)O[C@@H](C)C1 30003847 WIXUZFKAVRGTGL-KBPBESRZSA-N 314.433 2.849 0 40 DFAB Cc1ccsc1CNC(=O)NCCc1ccc2c(c1)OCO2 40121037 KSNDCWPQKSRLQC-UHFFFAOYSA-N 318.398 2.827 0 40 DFAB COC(=O)COc1ccccc1/C=C1\C(=O)Nc2ccccc21 40285495 AKYLANGGOVAELB-UVTDQMKNSA-N 309.321 2.731 0 40 DFAB O=c1[nH]c(CNc2ccc(F)cc2)nn1Cc1ccccc1F 40268854 VIIDCFOAWKYTGY-UHFFFAOYSA-N 316.311 2.510 0 40 DFAB CC(=O)c1ccc(N2CCN(C(=O)C=C(C)C)CC2)c(F)c1 31508157 WPHYRMIRYWYAIA-UHFFFAOYSA-N 304.365 2.643 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2O)[C@H]1c1ccccc1 20737698 SGCDUVIQGBYDMQ-SUMWQHHRSA-N 310.353 2.550 0 40 DFAB COc1cccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)c1 345762 YFBNHCLSKKNWGJ-CVEARBPZSA-N 311.337 2.938 0 40 DFAB Cc1occc1C(=O)NC[C@@H](C)N1CCc2sccc2C1 32428696 GUPYQKHNKZAYPZ-LLVKDONJSA-N 304.415 2.826 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CNc1ccc(Cl)cc1 102086563 NBGJCEYBBDRFLF-TXFQPVFDSA-N 304.777 2.741 0 40 DFAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCCc2ccccc21 21351419 HQXLNGSDTBJMBX-OAHLLOKOSA-N 312.413 2.757 0 40 DFAB COc1cccc([C@@H](O)[C@@H]2OC(=O)c3ccccc32)c1OC 481108 DPHMEZJUJBULLJ-GDBMZVCRSA-N 300.310 2.649 0 40 DFAB Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1nccs1 1012133 LMNXHRNSLQOLMM-UHFFFAOYSA-N 304.297 2.696 0 40 DFAB CCCN1CC[C@H](CNC(=O)N[C@@H]2CCOc3ccccc32)C1 54510382 BWAOXLKDYTZITL-GDBMZVCRSA-N 317.433 2.541 0 40 DFAB C[C@H]1CN(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 24097329 YGFDZIMIYUYXIH-GJZGRUSLSA-N 312.413 2.738 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc3ccccc3o2)CC1 24470701 LDQKMXSEXQMHDX-UHFFFAOYSA-N 316.357 2.784 0 40 DFAB Cc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3)CC2)n1 801884 RCZNHSGISWOTDW-UHFFFAOYSA-N 324.428 2.626 0 40 DFAB N[C@@H](CCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608374 JCHQLSDKMKCVTK-IRXDYDNUSA-N 310.397 2.577 0 40 DFAB COc1cc(CN[C@@H](C)c2ccccn2)cc(OC)c1OC 25358850 NNFJPSRVWARJTQ-LBPRGKRZSA-N 302.374 2.958 0 40 DFAB CCCCNC(=O)CNc1cc(NC(=O)C(C)C)ccc1C 55844730 GAVUPEZUMARXPP-UHFFFAOYSA-N 305.422 2.918 0 40 DFAB O=C(NCc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl 3185854 DEYCWEUWRNAREJ-UHFFFAOYSA-N 313.140 2.841 0 40 DFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC1 25518329 WRWUJKROXCNWBV-UHFFFAOYSA-N 308.385 2.664 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCCNC(=O)c2ccccc2)C1(C)C 25517283 FUAFZFMOZYNAOY-JKSUJKDBSA-N 314.429 2.771 0 40 DFAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2cccnc2)c1 6951998 QSGMAWWWFBBFTK-UHFFFAOYSA-N 314.341 2.700 0 40 DFAB O=C(NCCc1ccccc1)Nc1ccc(-n2cccn2)nc1 48134866 LYLBTMACRFSIFF-UHFFFAOYSA-N 307.357 2.632 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCO1 48151281 PJGYFHNJXNUSQG-SWLSCSKDSA-N 300.362 2.561 0 40 DFAB Cc1ccc(CN(C(=O)c2cccc(NC(N)=O)c2)C2CC2)o1 58225983 YULXJWSONSOMEU-UHFFFAOYSA-N 313.357 2.883 0 40 DFAB CC(C)CNC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 58401871 OULNINYZOPHWEJ-UHFFFAOYSA-N 318.417 2.510 0 40 DFAB C[C@H]1CCCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 58439732 VAIBLPFUSVOAFM-ZDUSSCGKSA-N 317.389 2.903 0 40 DFAB O=C(NCc1nc(-c2ccccc2)cs1)Nc1nncs1 47321180 ZFYJHZUGGRXEGA-UHFFFAOYSA-N 317.399 2.983 0 40 DFAB CC(=O)NC1(C(=O)Nc2ccc3oc(C)nc3c2)CCCCC1 47623685 QDKXYAXWJXDSJR-UHFFFAOYSA-N 315.373 2.914 0 40 DFAB COc1cc(CNC(=O)c2ccccc2Br)ccn1 48275186 VOESJNCZCGSIGS-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1COc2ccccc2O1 3561500 YKOOUEAVKJIFTN-GFCCVEGCSA-N 309.243 2.882 0 40 DFAB O[C@@H](c1ccc(F)cc1)[C@H](c1ccccc1)N1CCOCC1 20828000 AMSLSGRRPQDLLZ-ROUUACIJSA-N 301.361 2.933 0 40 DFAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 5021076 VLQOGBLOSNHXKB-NSHDSACASA-N 305.403 2.989 0 40 DFAB Cc1cc(CN2CCOC3(CCCC3)C2)ccc1-n1cncn1 93588844 XIEWGMPFFSPPHY-UHFFFAOYSA-N 312.417 2.721 0 40 DFAB Cc1csc([C@H]2CN(Cc3nnc(C(C)(C)C)o3)CCO2)n1 65474988 BGHIAYBOPZWOPK-LLVKDONJSA-N 322.434 2.706 0 40 DFAB COc1ccc(/C=C2\SC(=O)NC2=O)cc1Br 14007602 KCNLJTNNQJEBIE-UITAMQMPSA-N 314.160 2.782 0 40 DFAB CCOc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)OC)cc1 5350726 QHZPVAPINZFUDC-CQSZACIVSA-N 308.378 2.795 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)CNC(=O)C1CCCCC1 6561066 SFFNHHPOGUYSFA-CYBMUJFWSA-N 318.417 2.569 0 40 DFAB CCOc1ccccc1CCNC(=O)N1CCC[C@H]1C(C)(C)O 95939370 GFCAVOKIVCTACQ-INIZCTEOSA-N 320.433 2.573 0 40 DFAB C[C@@H](c1cccnc1)N(C)CC(=O)N1CCc2sccc2C1 95977283 PZMCWOYKPFTDNX-ZDUSSCGKSA-N 315.442 2.721 0 40 DFAB Cn1c(CO)cnc1SCCOc1ccc(F)cc1Cl 93904311 MRYYLCCGGCOZKL-UHFFFAOYSA-N 316.785 2.876 0 40 DFAB COc1ccc([C@@H](CNC(=O)Cc2cccs2)N(C)C)cc1 6947515 MDOIHAUZDJOBBD-MRXNPFEDSA-N 318.442 2.718 0 40 DFAB Cc1ccc(F)cc1/N=c1\oc2cc(O)ccc2cc1C(N)=O 67298390 ZUPGQPXQOIRVKW-JZJYNLBNSA-N 312.300 2.917 0 40 DFAB COc1ccc(/C=C(\C)C(=O)NC(=O)c2ccccc2O)cc1 67240004 QVEDFKKNDIYNTG-VAWYXSNFSA-N 311.337 2.761 0 40 DFAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 15388968 FJLPPKMBTVVNLT-LLVKDONJSA-N 321.373 2.720 0 40 DFAB CC(=O)Nc1ccc(C(=O)CSc2ncccn2)c(F)c1 7122646 SCLJVTGFZOVKSJ-UHFFFAOYSA-N 305.334 2.549 0 40 DFAB O=C1OCCN1CCCSc1ccc2c(c1)OCCCO2 67651607 RXVLVNMTJMDPSQ-UHFFFAOYSA-N 309.387 2.782 0 40 DFAB O=C(CCc1ccco1)O[C@@H](C(=O)NC1CC1)c1ccccc1 7503705 DMUARDKOAUOAJP-QGZVFWFLSA-N 313.353 2.775 0 40 DFAB COCc1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 71890054 DITFZAYVFVMNBD-UHFFFAOYSA-N 308.765 2.966 0 40 DFAB Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C 68280999 VTVFDKFJFATSQI-UHFFFAOYSA-N 318.465 2.503 0 40 DFAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 7970168 ARNHBYBHKQRDGA-AWEZNQCLSA-N 312.369 2.884 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 71870061 WPSKKFYZYWZZFK-AWEZNQCLSA-N 316.405 2.664 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)c1ccccc1N1CCCCC1 95976854 KQFQZJAGFWCHQB-BBRMVZONSA-N 322.474 2.519 0 40 DFAB COc1cc(/C=C/C(=O)N2C[C@H](C)OCC2(C)C)cc(OC)c1 91115277 VNGOTQJJYGPQKW-YBJDMEARSA-N 319.401 2.743 0 40 DFAB Cc1cccc(C2(C(=O)NCCc3nccn3C)CCCC2)c1 69443208 FYSXCPFQWSKTCS-UHFFFAOYSA-N 311.429 2.899 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2c2ncnc3ccccc23)n1 69563656 WWPFXWRXVCOMMH-AWEZNQCLSA-N 308.389 2.507 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCCN(Cc2cscn2)CC1 69632070 JHBYDEWCVFPRAW-AWEZNQCLSA-N 305.447 2.534 0 40 DFAB O=C(CSc1ccc(F)cc1)NC[C@H](O)C1CCCCC1 69495456 BBXIRCTUQVLMNL-HNNXBMFYSA-N 311.422 2.975 0 40 DFAB COc1ccc(N(C)C(=O)c2cc(F)ccc2O)c(OC)c1 93099587 VXAUMBNMGJONKK-UHFFFAOYSA-N 305.305 2.825 0 40 DFAB C[C@H](NCC(=O)Nc1nncs1)c1c(F)cccc1Cl 97033647 OWVSXOCEDMQSGR-ZETCQYMHSA-N 314.773 2.620 0 40 DFAB Cc1ncsc1COC(=O)c1ccc(N2CCCC2)nc1 97141489 OTWDGXKCOZEEPC-UHFFFAOYSA-N 303.387 2.804 0 40 DFAB Cc1cnc(C(C)(C)NC(=O)c2cc(N(C)C)ccn2)s1 97104078 LIFDNNAZKGBEFF-UHFFFAOYSA-N 304.419 2.578 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)N1CCOC2(CCCC2)C1 89526364 FAOIZESZKSWCHK-NSHDSACASA-N 307.394 2.707 0 40 DFAB CCCC(=O)N1CCC(NC(=O)[C@@H](CC)OC2CCCC2)CC1 95396466 HZFTXLNMCZSASL-MRXNPFEDSA-N 324.465 2.632 0 40 DFAB Cc1cccc(CNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 95426097 BYWXNOCEKSEFND-RDJZCZTQSA-N 320.458 2.849 0 40 DFAB Cn1cc(CCOC(=O)[C@H]2SCCc3ccccc32)cn1 95404992 ZDAFUWGHFPUVEH-HNNXBMFYSA-N 302.399 2.536 0 40 DFAB COC(=O)C[C@H](NC(=O)[C@H]1CCCc2ccccc21)C1CC1 84821407 LIQRJURXUICAII-HOTGVXAUSA-N 301.386 2.564 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccccc2)c(C)c1C(=O)O 89626544 SSABADJNZBMVNZ-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB CCNC(=O)c1ccc(NCc2ccccc2-n2cccn2)nc1 89977522 CEYANVSOZSFKIM-UHFFFAOYSA-N 321.384 2.629 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)N1C[C@H]2CC=CC[C@@H]2C1 76085207 LVIGXSONSNYLOY-IAGOWNOFSA-N 322.412 2.980 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306131823 KQHZRHDKUYCCRL-MRXNPFEDSA-N 321.384 2.517 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[C@]21COCCN1 306145304 AZRRTMMTPAOFIL-KRWDZBQOSA-N 320.389 2.631 0 40 DFAB CCc1ccc2[nH]c3nc(S[C@H](C)C(=O)O)nnc3c2c1 35291029 RFHXMPNYGRWNLV-SSDOTTSWSA-N 302.359 2.634 0 40 DFAB CCOC(=O)CCOC(=O)c1sccc1Br 79355771 DUFRHRZZTATNJS-UHFFFAOYSA-N 307.165 2.621 0 40 DFAB O=C(O)c1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 73642776 SLMSXLSROHOHAM-UHFFFAOYSA-N 314.248 2.570 0 40 DFAB COc1ccc(CN(CCC(=O)O)C(=O)OC(C)(C)C)cc1 32212030 CJYCJCSUOHOXCK-UHFFFAOYSA-N 309.362 2.907 0 40 DFAB Cc1nn(C)cc1-c1nn2c(-c3ccccc3F)nnc2s1 40268961 CLRCFYLMVMAZSO-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB COc1ccc(CN2CCOC[C@H](OCCC(C)C)C2)cc1 85436029 YKEAOAQWYKTPNA-GOSISDBHSA-N 307.434 2.959 0 40 DFAB biogenic,in-vitro CCOC(=O)CC(=O)Cc1ccc(OC)cc1Br 199566988 VUXWMBZFMCHEMF-UHFFFAOYSA-N 315.163 2.523 0 40 DFAB CCCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40639970 VUHGGYDUMZXFQR-UHFFFAOYSA-N 324.446 2.537 0 40 DFAB C[C@@H](CN[C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 194621917 KHQBSSHMQOSXRL-YJBOKZPZSA-N 309.413 2.970 0 40 DFAB CCN1CCC(N(C)Cc2ccc(N(C)C(C)C)nc2)CC1 225393912 KYUAQKNXENEFNQ-UHFFFAOYSA-N 304.482 2.842 0 40 DFAB Cc1nnc(COc2ccccc2C(=O)OC(C)(C)C)n1C 97102077 JUQXHUNRBGYHKS-UHFFFAOYSA-N 303.362 2.658 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 96432047 BVMQTWXIHLDRPG-GFCCVEGCSA-N 323.400 2.714 0 40 DFAB Cc1cccc(N2CCC(N[C@H]3CN(C(C)C)C[C@@H]3C)CC2)n1 95422612 IIWXNRHDSOHGAU-YJBOKZPZSA-N 316.493 2.677 0 40 DFAB Cc1noc(-c2cccnc2N2CCN(C3CCCC3)CC2)n1 96427319 NBGPHZUYZSGSAN-UHFFFAOYSA-N 313.405 2.505 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2ncn(C)c21 96060210 BVKSTIXYCJEGHX-ZDUSSCGKSA-N 305.447 2.926 0 40 DFAB OCCNc1nc(N2CCc3ccccc3C2)nc2ccccc12 95481547 DPFBMJMZABTGPM-UHFFFAOYSA-N 320.396 2.597 0 40 DFAB c1ccc(Nc2ccnc([C@H]3COCCN3C3CCC3)n2)nc1 96218438 KAQLTEOKUUFBQI-CQSZACIVSA-N 311.389 2.541 0 40 DFAB CCOC(=O)[C@H](C)Nc1ccc(C)cc1C(=O)N1CCCCC1 95951465 UEHBTOACRRKXRT-AWEZNQCLSA-N 318.417 2.985 0 40 DFAB CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@@](C)(O)c1ccccc1 248424342 ZUBXBCDBOKBNRZ-AYOQOUSVSA-N 319.445 2.852 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)c3c(C)n(C)c4ccccc34)C[C@@H]2C1 257276842 NVJCCWVZDOSEFJ-FICVDOATSA-N 312.413 2.984 0 40 DFAB O=C(N[C@@H]1CCn2nccc2C1)c1cc(Cl)sc1Cl 253473649 WXYPWMMOYWXPQR-SSDOTTSWSA-N 316.213 2.996 0 40 DFAB O=C1C[C@@]2(CCN(C(=O)c3ccsc3)C2)Oc2ccccc21 96025567 QWXIZSMRHYKFQZ-QGZVFWFLSA-N 313.378 2.998 0 40 DFAB NCc1cc2cc(I)ccc2nc1Cl 685937399 SYLXHPFWYWWACT-UHFFFAOYSA-N 318.545 2.952 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)sc1C 72297549 JRQFEXWYWAZSPE-GJZGRUSLSA-N 321.490 2.950 0 40 DFAB Cc1ccc(CCNC(=O)N(C)Cc2cc(Cl)cn2C)cn1 84191243 YRQKYULGDIMDLZ-UHFFFAOYSA-N 320.824 2.766 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccncc2)C1 40488850 FNHNTXPLLRNPEF-LBPRGKRZSA-N 305.378 2.667 0 40 DFAB C[C@@]1(CO)COCCN1Cc1coc(-c2cccc(Cl)c2)n1 96004049 XGTPAQQRTKYNHU-MRXNPFEDSA-N 322.792 2.578 0 40 DFAB Cc1nccc([C@H]2CCCN(CC(=O)Nc3ccccc3C)C2)n1 585145871 RJEJSFZDWKTTIM-INIZCTEOSA-N 324.428 2.912 0 40 DFAB Cc1cc(CN2CCN(c3nsc4ccccc34)CC2)no1 1206815866 XMCYJWVBIWXLCK-UHFFFAOYSA-N 314.414 2.915 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)O 5284995 WAEPDNYXAXFIPD-CYBMUJFWSA-N 320.389 2.510 0 40 DFAB CSc1cccc2sc(NC(=O)C3=COCCO3)nc12 5299272 AKJUYLUMHHPNGM-UHFFFAOYSA-N 308.384 2.845 0 40 DFAB CCOC(=O)c1cc([C@](C)(O)CCc2ccc(OC)cc2)on1 12410818 RXYSBWAAEWVVBD-QGZVFWFLSA-N 319.357 2.700 0 40 DFAB CCOc1ccc(/C=C2\SC(=O)N([C@H](C)C(=O)O)C2=O)cc1 13016614 KRCBXADMBBGEFB-ZPBHHCQCSA-N 321.354 2.595 0 40 DFAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)C 13709552 QWBQKIXLKWMAMW-CQSZACIVSA-N 300.402 2.675 0 40 DFAB O=C1C[C@@H](N2C[C@H]3CCCC[C@H]3C2)C(=O)N1c1ccc(F)cc1 15084271 UMVFUVFZVDCMSH-DVOMOZLQSA-N 316.376 2.580 0 40 DFAB Cn1nccc1CN1CCC[C@@H](COc2ccccc2F)C1 19658538 ANAOHFQYFJIXGI-CQSZACIVSA-N 303.381 2.850 0 40 DFAB Nc1nonc1N[C@H]1CC(=O)C[C@H](c2cccc(Cl)c2)C1 19974041 DANROOBXKHBTGW-MWLCHTKSSA-N 306.753 2.623 0 40 DFAB O=C(CCNC(=O)OCc1ccccc1)NCc1ccccc1 46572316 KUTQUINXOBZROA-UHFFFAOYSA-N 312.369 2.619 0 40 DFAB CCn1cc(CNC(=O)Cc2ccc(Br)cc2)cn1 27918893 YNBGZDFPQZNJGJ-UHFFFAOYSA-N 322.206 2.524 0 40 DFAB CN(C)Cc1cncc2c1CCN(C(=O)[C@]1(C)CC=CCC1)C2 1565553303 SSOSJERKKJEHHC-LJQANCHMSA-N 313.445 2.774 0 40 DFAB COC(=O)Nc1nc(CC(=O)NCCC2=CCCCC2)cs1 12440327 QGVUMOJBLURPOS-UHFFFAOYSA-N 323.418 2.871 0 40 DFAB CCC(C)(C)C(=O)N1CCC[C@@H](COc2ncc(C)cn2)C1 1775972370 YBKLZTVIESASMC-CQSZACIVSA-N 305.422 2.839 0 40 DFAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccsc1 218005337 SNJBTOQHODNBLX-KRWDZBQOSA-N 317.410 2.711 0 40 DFAB O=C(NCc1ccsc1)N1CCC([C@H](O)C(F)(F)F)CC1 96477016 JTSLKVVULBKXSX-NSHDSACASA-N 322.352 2.593 0 40 DFAB CC[C@H]1CCc2sc(C(=O)NCCn3ccnc3)cc2C1 40160173 QXUWYTBGKQHQKZ-LBPRGKRZSA-N 303.431 2.890 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 40457527 JKYSJDKPEAWLOQ-CQSZACIVSA-N 320.820 2.815 0 40 DFAB Cc1noc(CNc2cccc(S(=O)(=O)C3CCCC3)c2)n1 40520353 BZBQYFKRTWLUIF-UHFFFAOYSA-N 321.402 2.706 0 40 DFAB CN(Cc1ccco1)C(=O)c1ccc(N2CCOC2=O)cc1 40525018 NRDXMHMBKAGOST-UHFFFAOYSA-N 300.314 2.508 0 40 DFAB CC(C)n1ncc2cc(NC(=O)CC[C@H]3CCCO3)cnc21 31895441 GWLCNFBKWNIKJS-CQSZACIVSA-N 302.378 2.910 0 40 DFAB C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc2c(c1)OCO2 32889241 WJWPBADFZPAKDM-LLVKDONJSA-N 321.336 2.850 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2csc(C)n2)cc1 22558225 YPLVIQSUBSYLOW-LLVKDONJSA-N 318.398 2.873 0 40 DFAB Cc1cc(C(=O)COC(=O)c2ccc3nccnc3c2)c(C)[nH]1 23403869 OHBNHUILTQZCNO-UHFFFAOYSA-N 309.325 2.614 0 40 DFAB O=C(Nc1cccnc1N1CCOCC1)N1CCCCCCC1 54481532 MFXFYRFPPUNWBD-UHFFFAOYSA-N 318.421 2.716 0 40 DFAB CN(C(=O)CCn1cncn1)C(c1ccccc1)c1ccccc1 54800416 MCQHPYRUBJCLBJ-UHFFFAOYSA-N 320.396 2.916 0 40 DFAB CC(C)NC(=O)CN(C)C(=O)c1cc(Cl)ccc1Cl 24338450 YHJJSKUIGFUEGH-UHFFFAOYSA-N 303.189 2.590 0 40 DFAB Cc1cnc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)s1 10625797 VGHNIHYKITYUCX-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)O)C1 20200191 VVBLSSGZJQWPFE-CYBMUJFWSA-N 314.341 2.587 0 40 DFAB C[C@@H]1CCCc2sc3ncn4nc(CCC(=O)O)nc4c3c21 2332342 XLRHEUAGKUQYRA-MRVPVSSYSA-N 316.386 2.796 0 40 DFAB CC(C)(C)c1nnc(NC(=O)[C@@H]2C[C@@H]3CCCCN3C2)s1 80586492 APGMDUIYGQXDOE-MNOVXSKESA-N 308.451 2.649 0 40 DFAB COc1cccc(NC(=O)CC(=O)Nc2cccc(OC)c2)c1 1646837 UVNQAMWXUYXORY-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)CCN1CCSC1=O 40476712 QNDSGCPAHJCALY-UHFFFAOYSA-N 320.414 2.533 0 40 DFAB CSc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 3247531 UMKBFVWYSVREQD-UHFFFAOYSA-N 313.334 2.907 0 40 DFAB COc1ccc(C(C)=O)c(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 6901035 PIEWKZKPAFNHPR-BLLLJJGKSA-N 319.401 2.972 0 40 DFAB Cc1ccc(CN2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)cc1 100214676 CAJMEUNSOJSNPG-HZPDHXFCSA-N 309.413 2.931 0 40 DFAB CCC(C)(C)NC(=O)CSc1nc(C)c(C)n1CCOC 32894048 OHALUPDMRYNTQA-UHFFFAOYSA-N 313.467 2.543 0 40 DFAB COc1ccc(CNC(=O)Nc2c(C)noc2C)cc1OC 60212086 DNGASVPVPIRQTJ-UHFFFAOYSA-N 305.334 2.630 0 40 DFAB Cc1c(C(=O)NC[C@@H]2CCOC2)cnn1-c1cccc(Cl)c1 41366919 VAFHEGNUMKUSJZ-LBPRGKRZSA-N 319.792 2.600 0 40 DFAB Cc1nn(CCC(=O)Nc2ccncc2)c(C)c1Br 28235742 WGPOQFWAGCCPSF-UHFFFAOYSA-N 323.194 2.686 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)o1 41895027 DWTOPZFSKOBIPK-IAQYHMDHSA-N 312.369 2.896 0 40 DFAB Cc1ccc(N(C)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nn1 89652319 VKJUCYPASRRKEW-OAHLLOKOSA-N 314.433 2.569 0 40 DFAB CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1C 53746187 CLEOYBJZNRMACD-UHFFFAOYSA-N 322.430 2.865 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 57355509 NLOKLZYHOWSEFE-UWWQBHOKSA-N 314.429 2.855 0 40 DFAB COCCCC(=O)NCCc1ccccc1Br 61262987 TYPMKHLOJDABCI-UHFFFAOYSA-N 300.196 2.534 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cn1 23519298 UGOJEMJFCLJUHY-SNVBAGLBSA-N 320.295 2.852 0 40 DFAB COc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1 43210824 FWYBMCXYENKRML-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB CCn1ncc2c(C(=O)N(C)C)cc(-c3cccs3)nc21 24928184 OSYNSESCIUNYQC-UHFFFAOYSA-N 300.387 2.882 0 40 DFAB Cc1ccccc1Cn1cnc2oc(-c3ccncc3)nc2c1=O 1414930 DVWPHNHSLMUQDB-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB COc1ccc([C@H](CC(=O)N2CCCC[C@H]2C)NC(C)=O)cc1 25441188 HIGNVFVUKYKRQS-DYVFJYSZSA-N 318.417 2.664 0 40 DFAB Cc1ccc(-n2c(C)nn(CN3CCO[C@@H](C)C3)c2=S)cc1 12534558 YKLCTKUPUHZMTI-ZDUSSCGKSA-N 318.446 2.698 0 40 DFAB O=C(Nc1nc[nH]n1)c1cc(-c2ccccn2)nc2ccccc12 26262294 IHDQBPPAIXRXGU-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB O=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 108657150 HCFFJDQOJNZFRB-GHMZBOCLSA-N 313.756 2.986 0 40 DFAB Cc1cnccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 108816360 WSPAMNDYPBQNTB-INIZCTEOSA-N 323.396 2.881 0 40 DFAB O=c1[nH]nc(SCc2cccnc2)n1CCc1ccccc1 27810410 KLPNGGQRJSGGGH-UHFFFAOYSA-N 312.398 2.501 0 40 DFAB COc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC 3397304 VCKOJUBWIKXJSY-UHFFFAOYSA-N 321.398 2.633 0 40 DFAB Cc1ccc(OCCN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3459570 WGERCHCTXXDVAR-IBGZPJMESA-N 324.380 2.841 0 40 DFAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccccc1 12996300 BCKFINNNHMNMCT-UHFFFAOYSA-N 313.325 2.767 0 40 DFAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1Cc1cccnc1 69150498 ZHVCEXZEFSTCOA-IBGZPJMESA-N 321.380 2.755 0 40 DFAB CCc1ccc(C(C)(C)NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 81700987 ATBAGNXDZSFXPP-CQSZACIVSA-N 321.442 2.549 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 14095812 QJZHSTUWIIIKKD-PXAZEXFGSA-N 312.369 2.920 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@H]2C2CCCC2)c(=O)[nH]1 65538603 VYCOXLTVKYZGEF-INIZCTEOSA-N 317.433 2.856 0 40 DFAB CN(C)C(=O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1 14184979 YGPUSRHLGPKBNI-UHFFFAOYSA-N 320.396 2.821 0 40 DFAB COC(=O)c1ccccc1OC(=O)c1cc2ccccc2oc1=O 6662886 JZVDRUGLTOJTLQ-UHFFFAOYSA-N 324.288 2.799 0 40 DFAB COc1ccccc1CNC(=O)Cn1c(C)nc2ccccc21 5627885 PPNXGAOCBZVLHX-UHFFFAOYSA-N 309.369 2.670 0 40 DFAB C/C=C/c1cc(C(=O)Nc2ccn(C)n2)cc(OC)c1OC 14899663 UFITYHZYXHMEHG-AATRIKPKSA-N 301.346 2.723 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)OCC3(C)COC3)cc2)n1 66522700 CXAVRIZEXCIBEI-UHFFFAOYSA-N 300.358 2.682 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)on1 6851938 XFYJNRPOBMYKBE-SECBINFHSA-N 308.721 2.820 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccncc1 7059251 WBPMQOMVSAYFTI-LBPRGKRZSA-N 302.399 2.610 0 40 DFAB C[C@@H](NCc1c(Cl)nc2ccccn12)[C@@H](C)n1cccn1 69927896 FOFKWLCMWRZGLA-VXGBXAGGSA-N 303.797 2.924 0 40 DFAB O=C(CC1CCCC1)N1CCC(c2nnc3n2CCC3)CC1 71818918 KROCBGRTBQTSCC-UHFFFAOYSA-N 302.422 2.511 0 40 DFAB Cn1ncc2c1N=C(O)C[C@@H]2c1c(Cl)nc2sccn12 71280196 YUSKPYRPXJIZLW-LURJTMIESA-N 307.766 2.906 0 40 DFAB Cn1ncnc1NC(=O)CC(c1ccccc1)c1ccccc1 89741188 ZDDPVJWQIMFSRK-UHFFFAOYSA-N 306.369 2.976 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCCN(C)C 71892286 DKGYZQWMSVDXHG-UHFFFAOYSA-N 303.431 2.800 0 40 DFAB CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C1CCCCC1 71969326 FAUQOIXXQOBPII-UHFFFAOYSA-N 314.451 2.685 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 76044357 RWFZYYBRBMEVJH-ZDUSSCGKSA-N 315.377 2.771 0 40 DFAB CCS[C@H]1CC[C@@H](NC(=O)NCCCn2cc(C)cn2)C1 76086733 ZZZYPNCCTKJDGX-KGLIPLIRSA-N 310.467 2.555 0 40 DFAB C[C@@H](O)CNC(=O)c1c(-n2cccc2)sc2c1CCCC2 96968426 MTWCMRVYDRHANP-LLVKDONJSA-N 304.415 2.528 0 40 DFAB CC(C)c1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)no1 72232140 UREYJJIBCFIJRJ-ZIAGYGMSSA-N 321.421 2.858 0 40 DFAB CC(C)[C@H](NC(=O)Nc1ccccc1F)C(=O)N1CCCC1 72285602 FLJBWTKGHYRLCP-AWEZNQCLSA-N 307.369 2.594 0 40 DFAB Cc1cnc(CN(C)C[C@H](c2cccs2)N2CCOCC2)o1 72299846 JFHDGQHJTBCVIA-CQSZACIVSA-N 321.446 2.550 0 40 DFAB C[C@H](c1ccccc1F)[S@@](=O)Cc1nsc(N(C)C)n1 97080216 NBRBCQLNAVJXFT-GSDQLPOLSA-N 313.423 2.753 0 40 DFAB O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)C1CCC1 97018873 KCNUHPBKOUKLKQ-QGZVFWFLSA-N 311.381 2.999 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cc1ccsc1)C2 97199034 UIKBEVFRXCOHSF-CYBMUJFWSA-N 317.458 2.916 0 40 DFAB CCOc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cn1 97374911 AFJVJZSUWBYDKK-UHFFFAOYSA-N 312.247 2.856 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 95418768 KHJPDNOXHSOPTD-UHFFFAOYSA-N 323.400 2.699 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCCc1ccc2ccccc2c1 95411154 XVXKPRNELLOIGP-GOSISDBHSA-N 312.413 2.795 0 40 DFAB COC[C@@](C)(NCc1ccc(Cl)cc1Cl)C(=O)OC 95454702 SDQOSLMIOBXKOH-CYBMUJFWSA-N 306.189 2.661 0 40 DFAB COC(=O)CN(Cc1ccncc1)Cc1ccc(F)c(F)c1 95430672 MNDBGKQRZGAMBF-UHFFFAOYSA-N 306.312 2.535 0 40 DFAB C[C@H]1C[C@@H](c2ccsc2)CN1c1nnc(Cl)cc1C(N)=O 95406109 MAQZFTABZLUCBH-WCBMZHEXSA-N 322.821 2.673 0 40 DFAB COc1ccc(O)c(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1 95979076 YCRRDZDQODJMML-SECBINFHSA-N 303.362 2.873 0 40 DFAB O=C(OCCn1cccn1)c1cc(C(F)(F)F)ccc1F 95966384 UBXDJDBPEODRJX-UHFFFAOYSA-N 302.227 2.898 0 40 DFAB Cc1ccc(OCc2ccc(C(=O)NC3(C(=O)O)CC3)o2)cc1 95989645 UHESTLCEVSULMF-UHFFFAOYSA-N 315.325 2.514 0 40 DFAB C[C@@H]1COCCN1C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 74894273 WFKYRQVPHCJIEH-BMIGLBTASA-N 310.344 2.846 0 40 DFAB CN1CCC[C@H]1CCN1CCC(NC(=O)C2CCCCC2)CC1 89375353 JWMWQGYAQKJOQN-SFHVURJKSA-N 321.509 2.632 0 40 DFAB COc1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)cc1 30835583 DJQYXRLKMLUHAK-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB Cc1cccc(CCCNS(=O)(=O)c2c(C)noc2C)c1 74554311 JBPZFGIVMYLEAX-UHFFFAOYSA-N 308.403 2.511 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2C=O)CC1 35605902 OTQOEADQIHBWPY-UHFFFAOYSA-N 308.353 2.695 0 40 DFAB Cc1ccccc1C(=O)NCCN1CCO[C@@H](c2ccccc2)C1 36699865 MVILUPFMRYFNKD-LJQANCHMSA-N 324.424 2.798 0 40 DFAB Cc1ccc(-c2ccc3nnc([C@@H]4CCCNC4)n3n2)cc1C 217560732 VBXHJHLOJRICEY-OAHLLOKOSA-N 307.401 2.875 0 40 DFAB CC(C)N(CC(=O)O)C[C@@H]1CCCN(Cc2ccccc2)C1 79393428 HCJFGBIEPUFHJP-QGZVFWFLSA-N 304.434 2.694 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)nn1 70641177 XESHMCZHLUZIIS-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB C[C@]1(c2cccc(Cl)c2)NC(=O)N(CC[C@H]2CCCO2)C1=O 188962802 IQFUAHCJYFVNGP-CZUORRHYSA-N 322.792 2.676 0 40 DFAB CCn1cnnc1CCNC(=O)C(C)(C)c1cccc(Cl)c1 76593935 ATDPMJSYQNWTBT-UHFFFAOYSA-N 320.824 2.588 0 40 DFAB Fc1cccc(CN2CCC[C@@H](c3n[nH]c4nccnc34)C2)c1 72393821 ZYKBNZHVIOHFOH-CYBMUJFWSA-N 311.364 2.872 0 40 DFAB O=C(NCc1nccc(N2CCCC2)n1)Nc1ccccc1F 211094514 YXARJYMZXAQVSM-UHFFFAOYSA-N 315.352 2.538 0 40 DFAB CCOC(=O)c1cc(N)n(-c2ccc(Cl)c(Cl)c2)n1 71978711 XKNRPCYUDSRDKJ-UHFFFAOYSA-N 300.145 2.938 0 40 DFAB CCOC(=O)C1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 73846794 VAZIVHIONLLITJ-OCCSQVGLSA-N 319.376 2.873 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccncc3)n2)CN1Cc1ccccc1 44425202 RTPFCYRZGUAMQJ-OAHLLOKOSA-N 320.352 2.648 0 40 DFAB CC[C@H](C(=O)NCC1(O)Cc2ccccc2C1)c1ccccc1 225714704 UDTRERPZYLQFJH-SFHVURJKSA-N 309.409 2.826 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)C2CC2)C1 42464961 IDYZKCXIHSGLNM-AWEZNQCLSA-N 320.820 2.605 0 40 DFAB Cc1cc(I)c(C)c2sc(NN)nc12 40542215 XDHCFUMVXODEMT-UHFFFAOYSA-N 319.171 2.803 0 40 DFAB Cc1cc(C)cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)c1 224189234 ZUVBTSUNTIHSRR-UHFFFAOYSA-N 313.405 2.790 0 40 DFAB COc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)cc1 42822002 ZWTPCOJLXXEUGW-UHFFFAOYSA-N 312.369 2.669 0 40 DFAB COc1cc(OC)c(OC)cc1CNc1cc(C)nc(C)n1 43533267 GXTPHHDUPKRQKO-UHFFFAOYSA-N 303.362 2.731 0 40 DFAB CN1C(=O)c2ccccc2C12CCN(C(=O)OC(C)(C)C)CC2 80230146 MNOTWFRKOOFFCF-UHFFFAOYSA-N 316.401 2.998 0 40 DFAB Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 96685547 PZBVMOOGLRQTED-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB O=C(NC[C@]1(O)CCSC1)N[C@@H]1CCCCc2ccccc21 96447335 VJZJIQLGFKKYNK-NVXWUHKLSA-N 320.458 2.621 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)o1 97231403 RTOMQDNCOAPQOX-ZKKXHLJNSA-N 321.279 2.822 0 40 DFAB O=C(Nc1cccc(F)c1F)N[C@@H]1CCN(c2ccccn2)C1 95435483 WDUWHZAAOJPFIO-LLVKDONJSA-N 318.327 2.760 0 40 DFAB Cc1nc(Cn2c3c(ccc2=O)C[C@H](NC(C)C)CC3)cs1 96196601 KSTIXZFZMCADLH-CQSZACIVSA-N 317.458 2.517 0 40 DFAB CN(C)[C@H](CN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(C)c1 249270306 JZZRGRMMCCWNPA-MGPQQGTHSA-N 318.387 2.734 0 40 DFAB C1CCC(N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)C1 247967121 SREWQWBYEPGKQH-KRWDZBQOSA-N 309.450 2.606 0 40 DFAB Cc1ccc2oc(C(=O)N[C@H](C(=O)O)c3ccccc3)cc2n1 252497172 QAOCWCYZGVINQF-HNNXBMFYSA-N 310.309 2.692 0 40 DFAB Cn1ccnc1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1 257203189 AOZXDWPCLSMCAO-HNNXBMFYSA-N 320.400 2.609 0 40 DFAB O=C(O)CC1(C(=O)Nc2cccc(C(F)F)c2)CCOCC1 656853492 ZKEZVWDWMMZBKS-UHFFFAOYSA-N 313.300 2.834 0 40 DFAB O=C(CC1CCCC1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585277160 MKWSTNLDZLCYSV-SFHVURJKSA-N 321.392 2.748 0 40 DFAB CCOC(=O)CCN(CC1CC1)C(=O)Nc1ccccc1OC 58087560 GHJYJMYWNJVPKV-UHFFFAOYSA-N 320.389 2.892 0 40 DFAB CC(C)(C)S(=O)(=O)CCN[C@@H]1CCCc2sccc21 89628326 ZGWKUMLOELCIRD-GFCCVEGCSA-N 301.477 2.928 0 40 DFAB Brc1ccc2ncnc(NCc3ncccn3)c2c1 1652195011 PHSGLAICSUUNMQ-UHFFFAOYSA-N 316.162 2.794 0 40 DFAB COc1ccc(OCCn2nnc(-c3ccc(C)cc3)n2)cc1 5491794 XIDYPYNOKCVGSN-UHFFFAOYSA-N 310.357 2.736 0 40 DFAB O=C(CN1CCC(c2ccccc2F)CC1)NCc1ccco1 12113939 WVHLCZQOKOFQJX-UHFFFAOYSA-N 316.376 2.915 0 40 DFAB COc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)c(OC)c1 12421829 IHOGQQOGHSAFBP-UHFFFAOYSA-N 324.336 2.798 0 40 DFAB CN(CCOc1ccc(F)cc1)CC(=O)NC1CCCCC1 12876085 PLVHNPFRZJRTPQ-UHFFFAOYSA-N 308.397 2.585 0 40 DFAB CCCCC(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 15734169 UQOVCJHVENVLOZ-UHFFFAOYSA-N 320.414 2.868 0 40 DFAB O=C(NCCc1cccc(F)c1)c1cccnc1N1CCCC1 16176935 VHQOCQXGTSJKIY-UHFFFAOYSA-N 313.376 2.793 0 40 DFAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C(C)(C)N)sc1C 19559658 HOULLCNBYKVEGN-GFCCVEGCSA-N 323.487 2.959 0 40 DFAB CCCCN1C(=S)S[C@H](C(=O)Cc2cccc(C)c2)[C@H]1N 19842808 GZBRZLVWFXVCQM-CABCVRRESA-N 322.499 2.894 0 40 DFAB Cn1cncc1CN1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 643914136 LZRADOVEOWUAMQ-DZFIZOCASA-N 311.429 2.847 0 40 DFAB COc1ccc(CNC(=O)N[C@H](C)CCc2ccco2)cn1 32795209 VVLMRTBTARBHHE-GFCCVEGCSA-N 303.362 2.504 0 40 DFAB O=C(CCC1CCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776007845 HQCASAIWMVRDPU-UHFFFAOYSA-N 321.396 2.956 0 40 DFAB COC(CN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)OC 161608360 HLGHUWLTMCHVPI-MSOLQXFVSA-N 318.461 2.592 0 40 DFAB O=S1(=O)N=C(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c2ccccc21 2086968316 AUZKKFJKRWQIQZ-KBPBESRZSA-N 314.410 2.853 0 40 DFAB Fc1cncnc1N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971847 VLTFQVAHUQTFOV-UHFFFAOYSA-N 309.348 2.904 0 40 DFAB O=C(NCc1ccc(F)cc1)Nc1nnc(-c2ccco2)o1 36709360 BVEVXWWNWKUBBG-UHFFFAOYSA-N 302.265 2.790 0 40 DFAB Cc1c([C@@H](C)NC(=O)c2cc(C)n(C3CC3)c2C)cnn1C 25001724 PZWLJKZNZJJKJB-LLVKDONJSA-N 300.406 2.973 0 40 DFAB COc1cccc(C(=O)CSc2nnnn2C2CCCC2)c1 1238084 WUYXYPZSDZZGHH-UHFFFAOYSA-N 318.402 2.772 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)Nc3cccnc3)c2c1 79098267 WSXHQZVQMGRMHT-UHFFFAOYSA-N 310.357 2.936 0 40 DFAB CCO[C@@]1(c2ccccc2)NC(=S)NN=C1c1ccccc1 1510833 GGYLNHIEVFOVFN-QGZVFWFLSA-N 311.410 2.758 0 40 DFAB CC(=O)OCc1cc2c(cc1CNCc1ccccc1)OCO2 1716392 OMMUJHUGOAISRQ-UHFFFAOYSA-N 313.353 2.768 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)N(C)Cc2ccccc2)cc1 3254821 KTFDLCDHHLTNBE-UHFFFAOYSA-N 318.398 2.525 0 40 DFAB CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1 4237212 GWJUTXJXBSLWSH-GXTWGEPZSA-N 312.438 2.944 0 40 DFAB biogenic,in-vitro CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)no1 6726639 PTJRONGPUOQINW-DTVLGXAZSA-N 306.362 2.658 0 40 DFAB C[C@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)[C@@H]1CCCO1 58268343 HGBJVOMHFISYCP-LRDDRELGSA-N 313.401 2.597 0 40 DFAB CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 89392159 BHNFLGOSDBAOOA-UHFFFAOYSA-N 300.383 2.849 0 40 DFAB C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccccn1 44909875 DEMPWUYPKXUFGE-SWLSCSKDSA-N 318.446 2.806 0 40 DFAB CC(C)N(Cc1ccccn1)C[C@@H](O)COc1ccc(F)cc1 58341026 RJRJAUZGEQCAHF-QGZVFWFLSA-N 318.392 2.871 0 40 DFAB O=C(COc1ccccc1)NCc1ccccc1-n1cccn1 58367691 GDQMKQHSMXQMBV-UHFFFAOYSA-N 307.353 2.568 0 40 DFAB O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1cccs1 9873844 YJOKWXJNCUHWGL-UHFFFAOYSA-N 324.402 2.890 0 40 DFAB Cc1noc(C)c1C(=O)NCc1coc(-c2cccs2)n1 10871954 CZIQLNNPUONKAN-UHFFFAOYSA-N 303.343 2.938 0 40 DFAB COc1ccc(OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100261205 KNZLTMXSINSNLU-IAGOWNOFSA-N 304.342 2.723 0 40 DFAB Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@H]3C)o2)cc1 46255519 LPJSFDPAYSTODO-CQSZACIVSA-N 314.385 2.830 0 40 DFAB C[C@]1(c2ccccn2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 60379343 YRSSMSHGTKZTEY-MRXNPFEDSA-N 315.760 2.702 0 40 DFAB CC1=CC(C)(C)Nc2c(C(=O)N3CCN(C)CC3)cc(C)cc21 57531180 LAFOKUPSLGYFIJ-UHFFFAOYSA-N 313.445 2.990 0 40 DFAB O=C(N1CC[C@@H](N2CCCC2)C1)C1(c2cccc(F)c2)CCC1 89774798 UDXNALCUMKJIOM-QGZVFWFLSA-N 316.420 2.944 0 40 DFAB Cc1csc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)n1 89708852 WIUAJKUMWOMYAR-UHFFFAOYSA-N 300.383 2.924 0 40 DFAB OC[C@@H]1CCCN(c2nn3cc(-c4ccccc4)nc3s2)C1 12525166 GDIQLPBGENVPEC-GFCCVEGCSA-N 314.414 2.667 0 40 DFAB CC[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3339024 ZPKLNXLIQKIKSP-SECBINFHSA-N 324.730 2.658 0 40 DFAB c1ccc(OCC2CC2)c(CN[C@H]2CCO[C@]3(CCOC3)C2)c1 95457732 HHACAPALMWUBJV-PKOBYXMFSA-N 317.429 2.903 0 40 DFAB c1nc(NCCc2nnc3n2CCCCC3)c2ccsc2n1 48355958 AOZFLHJNGSPNEG-UHFFFAOYSA-N 314.418 2.664 0 40 DFAB C[C@H]1C[C@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20634644 KCXFBPJKYGOGIF-ZIBATOQPSA-N 322.355 2.575 0 40 DFAB CCC(CC)C(=O)OCC(=O)Nc1ccc(OC)cc1OC 3525475 QPLRIEQYZXFMMP-UHFFFAOYSA-N 309.362 2.622 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)N1CCc2ccccc21 21973356 KWIYJLXWDHWQBO-UHFFFAOYSA-N 309.365 2.980 0 40 DFAB Cn1/c(=N/C[C@@H](O)COc2ccccc2)sc2ccccc21 13116277 CAQWFCZKQUURRU-XAGMJWQQSA-N 314.410 2.580 0 40 DFAB CCCNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 9478975 TVLGDOJZUXOWDF-UHFFFAOYSA-N 320.414 2.896 0 40 DFAB CCn1c(CCCCc2n[nH]c(=S)n2CC)n[nH]c1=S 13545692 DGNFAOVHTZRYHA-UHFFFAOYSA-N 312.468 2.800 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCCCN2CCCCC2)on1 65440234 AAANSIGYDDNICZ-HNNXBMFYSA-N 320.437 2.706 0 40 DFAB NC(=O)c1ccccc1OCc1cc(Cl)cc2c1OCOC2 5346806 STHCATNVBFHMSL-UHFFFAOYSA-N 319.744 2.884 0 40 DFAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(C)c(C)c1 5347391 FNQATXRLBVWKOW-CYBMUJFWSA-N 310.419 2.720 0 40 DFAB COC[C@H](C)NC[C@H](O)COc1ccc(-c2ccccc2)cc1 6626619 NFQRELAVUWXFLW-YJBOKZPZSA-N 315.413 2.718 0 40 DFAB CCc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1 6618803 QUBBAVKCUIQHSN-UHFFFAOYSA-N 311.381 2.765 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)COC2CCCCC2)c1 71865940 YDHYUAXDWQFVHC-MRXNPFEDSA-N 319.449 2.922 0 40 DFAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@@]1(C)O 4901474 NGTLYMQTTVSXRG-BRWVUGGUSA-N 302.349 2.501 0 40 DFAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 6948825 CLRMJHWEYWQGLB-SNVBAGLBSA-N 317.776 2.878 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1csc(-c2ncccn2)n1 67516064 QNARYSJEVGKICO-OLZOCXBDSA-N 322.393 2.886 0 40 DFAB Cc1nc2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2o1 15596141 PQYCKMXIVOJLEC-UHFFFAOYSA-N 324.262 2.990 0 40 DFAB Cc1ccc(C[C@H](C)N(C)CC(=O)NCc2ccccn2)cc1 71915732 YCSFJHOHXAHCCX-INIZCTEOSA-N 311.429 2.569 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1(C)C 80604423 CTAVJCQWVIABSY-DXCKQFNASA-N 305.422 2.988 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(F)cc1 7667584 LWFPFFYYBPUUON-UHFFFAOYSA-N 321.373 2.549 0 40 DFAB Cc1ccnc2nc(C(=O)Oc3cc(Cl)ccc3Cl)nn12 7794794 QXWQEZRYCYEELB-UHFFFAOYSA-N 323.139 2.959 0 40 DFAB O=C(Cc1ccsc1)Nc1ccc(N2CCOCC2)cc1 7979700 MDRIZVPSRYISHI-UHFFFAOYSA-N 302.399 2.766 0 40 DFAB O=C(NC1CC1)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1 9883953 FRLWIXKTRDAVHF-UHFFFAOYSA-N 320.352 2.707 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2csnn2)cc1 69037618 UVPJMNIDGLSZGG-ZDUSSCGKSA-N 318.402 2.848 0 40 DFAB COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 8235150 GYQMGQYJNIOOHN-UKRRQHHQSA-N 318.417 2.632 0 40 DFAB Cc1cccc(NC2CCN(C(=O)Nc3ccccn3)CC2)n1 72289005 JPLPTBXHXIHRFY-UHFFFAOYSA-N 311.389 2.893 0 40 DFAB COc1c(CN[C@@H]2COc3ccccc3C2)c(C(C)C)nn1C 65578060 QBMCISJUXMTYGN-AWEZNQCLSA-N 315.417 2.645 0 40 DFAB O=C(c1cccc(NCCc2cccs2)c1)N1CCOCC1 97048053 CRQSMPLPJMJXSE-UHFFFAOYSA-N 316.426 2.875 0 40 DFAB Cc1nc(C2(NC(=O)[C@H]3C[C@@H]3c3ccco3)CCCC2)no1 84280643 DBIFVTYWLMTJKE-RYUDHWBXSA-N 301.346 2.660 0 40 DFAB COCc1csc(NC(=O)NCc2ncc(C(C)(C)C)o2)n1 84284675 KMOWVIVTMOHVKC-UHFFFAOYSA-N 324.406 2.897 0 40 DFAB O=c1cc(-c2ccc(F)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 8770498 RXEPFHKSISYCBH-UHFFFAOYSA-N 321.311 2.813 0 40 DFAB Cc1nnc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)s1 95984663 MOQOFGWIPUUHQK-SNVBAGLBSA-N 318.402 2.654 0 40 DFAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOC)CC1=O 8844986 SCWFBHUGQQLPLH-AWEZNQCLSA-N 315.417 2.799 0 40 DFAB C[C@H](NC(=O)NCCC1(C)OCCO1)c1cc2ccccc2o1 97115799 FEXDXMYTRVWUEI-LBPRGKRZSA-N 318.373 2.946 0 40 DFAB C[C@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CCc2ccccc21 95981680 KTNFRIUELWSIDJ-FOIQADDNSA-N 324.424 2.827 0 40 DFAB CNC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)no2)c1 71103199 PILWCPLOLJGQAE-UHFFFAOYSA-N 302.334 2.802 0 40 DFAB CCc1nn(C)cc1CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 96008140 OUNQXVWPIABUOS-BJJXKVORSA-N 304.438 2.703 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 84576754 WHWZNXODZYZVEL-NVXWUHKLSA-N 311.385 2.656 0 40 DFAB CC[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 76070749 AAJKARTXFCGOST-SNVBAGLBSA-N 320.311 2.829 0 40 DFAB CCOc1cc(C(=O)NCCOC)cc(Cl)c1OCC 409379392 WQWNNQUWOMNBRJ-UHFFFAOYSA-N 301.770 2.514 0 40 DFAB Cc1nc(CN(C)C(=O)c2cc3ccccc3c(=O)[nH]2)cs1 65473565 GYBPETGBKRPDEP-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB O=S(=O)(c1ccc2ncccc2c1)N1CC2(CCCC2)C1 547968386 DQESIMXFDHTJSC-UHFFFAOYSA-N 302.399 2.800 0 40 DFAB CCOCc1cccc(S(=O)(=O)N[C@H](C)c2ccncc2)c1 71195461 COMACHZPOGCUHM-CYBMUJFWSA-N 320.414 2.658 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1 72228096 FPTQCFNPYJTLFU-HZPDHXFCSA-N 300.333 2.640 0 40 DFAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 72227258 WLTCOQNNQQJHNG-UONOGXRCSA-N 317.186 2.864 0 40 DFAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 41122072 VJPFTRUTVQFCHL-GFCCVEGCSA-N 314.389 2.998 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)c1ccc(-n2cccc2)cc1 80382165 BTTXXMFNKQFCTP-UHFFFAOYSA-N 307.353 2.737 0 40 DFAB Cc1csc(C(C)(C)NC(=O)[C@@H]2CCc3cnc(C)n3C2)n1 570574755 XBGVAYAIWQPPSD-GFCCVEGCSA-N 318.446 2.570 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 226746996 ANJJVBFZMCPCBA-SECBINFHSA-N 312.822 2.532 0 40 DFAB CCOc1ccc(C(=O)NCCCN2CCCCC2)cc1C 223596226 ZYPZTVNHUFXETR-UHFFFAOYSA-N 304.434 3.000 0 40 DFAB Cc1ccc(NC(=O)Cn2cncn2)c(SC(F)(F)F)c1 69388024 HNZCITUXCQJGAX-UHFFFAOYSA-N 316.308 2.837 0 40 DFAB CN(Cc1cccn1C)C(=O)c1ccc2nc(Cl)n(C)c2c1 222560668 KYGHYGVWGCWVMD-UHFFFAOYSA-N 316.792 2.837 0 40 DFAB CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@@H]1C 226277632 PSSUJFIJIXBIFS-ZDUSSCGKSA-N 314.389 2.823 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c2[nH]ncc2c1 69460246 FQHWTOLVIOTWSS-HNNXBMFYSA-N 323.400 2.854 0 40 DFAB CC[C@H](C)[C@](C)(O)CNC(=O)Cc1cnc2ccccc2c1 131312441 VJWYYMYGQNFHDW-SCLBCKFNSA-N 300.402 2.691 0 40 DFAB CCOc1cccc(CCc2nc(C3CCNCC3)no2)c1 41513866 NWODVZKLCPODKQ-UHFFFAOYSA-N 301.390 2.721 0 40 DFAB C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)CN(C)C 85423398 JTCTWZIAEFDKME-UONOGXRCSA-N 321.469 2.623 0 40 DFAB NC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 43712139 YXDJEPLMJFNFLA-UHFFFAOYSA-N 322.368 2.631 0 40 DFAB CCc1ncc(C(=O)N2CCCC[C@@H]2Cn2cccn2)s1 69814346 JALXQNWWGNXRQA-GFCCVEGCSA-N 304.419 2.597 0 40 DFAB C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)c2cccnc2O1 195579188 AWJLNZYJTRLROG-ZDUSSCGKSA-N 320.352 2.695 0 40 DFAB C[C@H](O)C[C@H](CNC(=O)c1ccc(O)cc1F)c1ccccc1 97232592 MOEKMTHQYBUUFN-GXTWGEPZSA-N 317.360 2.816 0 40 DFAB CS(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 97164221 KJSZAXXSFMTEGI-NSHDSACASA-N 308.428 2.787 0 40 DFAB O=c1c(Br)c(Br)cnn1CC1CCC1 95093927 TVWBEJJMKHNNSV-UHFFFAOYSA-N 322.000 2.568 0 40 DFAB CC(=O)N[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 96489767 TZCNISDLDKQDIW-ZDUSSCGKSA-N 316.323 2.686 0 40 DFAB Cc1cccc(CN2CC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 96218953 UJIULTFOMYEFJM-RBUKOAKNSA-N 324.428 2.631 0 40 DFAB CCc1ccc(-c2ccc(C(=O)N[C@@H](C)Cn3cncn3)o2)cc1 96430622 IVDAXWOPKLZDDW-ZDUSSCGKSA-N 324.384 2.919 0 40 DFAB c1cc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cs1 96207925 XWYAQYSNFXUOLD-IAGOWNOFSA-N 306.475 2.967 0 40 DFAB Cc1ccc2ccccc2c1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617960 NOHHJTIWFLUMIJ-LJQANCHMSA-N 322.412 2.750 0 40 DFAB Cc1ccc(N2CCC[C@]3(CCN(c4ncccc4C)C3)C2)nn1 96071628 JRADUGRIAGYMED-IBGZPJMESA-N 323.444 2.985 0 40 DFAB CO[C@]1(CNC(=O)Nc2ccccc2Cl)CCSC1 96097771 JVLGARAOELKGRH-ZDUSSCGKSA-N 300.811 2.984 0 40 DFAB CC(C)n1ncc(C(=O)Nc2ncccc2O)c1C(F)(F)F 97371226 WZWRWVJDVUBHEQ-UHFFFAOYSA-N 314.267 2.836 0 40 DFAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 96185666 MOOUXVOYDCSRFQ-VYDXJSESSA-N 316.474 2.539 0 40 DFAB C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccn(C2CCCC2)n1 245344080 XHFHZYACUKSCTD-RBSFLKMASA-N 318.465 2.876 0 40 DFAB C[C@H](C(=O)OCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 252004444 NXABHFCKMVARMM-LBPRGKRZSA-N 312.321 2.649 0 40 DFAB O=C(Cc1cccnc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257256832 KNBHABYPFDIEIJ-QGZVFWFLSA-N 318.380 2.604 0 40 DFAB CS(=O)(=O)N1CCC[C@H]1c1cccc(NC2CCCCC2)n1 257304780 SNCRDXFJSWOJQV-HNNXBMFYSA-N 323.462 2.923 0 40 DFAB CCOC(=O)C(=O)c1c[nH]c2ccc(C)c(Br)c12 669369952 RFGGZSCDCOYDMU-UHFFFAOYSA-N 310.147 2.985 0 40 DFAB CCOc1ccc(C(=O)NCc2nc(C)cs2)cc1OC 44894620 WFCKDJKTNUQPJZ-UHFFFAOYSA-N 306.387 2.789 0 40 DFAB C[C@H](NC(=O)CCc1ccco1)c1ccc2c(c1)OCCO2 36758448 ROVGJKSHXWIUEE-LBPRGKRZSA-N 301.342 2.861 0 40 DFAB CCc1c(C(=O)N2CCN(CC(C)C)CC2)[nH]c(C)c1C(C)=O 48163382 UCKBXMCTPZKLRO-UHFFFAOYSA-N 319.449 2.502 0 40 DFAB O=C(NCCSCCCO)Nc1ccccc1C(F)(F)F 78529993 NPUDQZJBLKLEIF-UHFFFAOYSA-N 322.352 2.943 0 40 DFAB CCC(CC)S(=O)(=O)CC(=O)NCc1ccc(Cl)s1 84727686 XAUPHNNIVAZDJA-UHFFFAOYSA-N 323.867 2.621 0 40 DFAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2ccccc21 565223 WRHCDTRZQZKOAF-GOSISDBHSA-N 313.353 2.805 0 40 DFAB CN(C)C[C@@H]1CSCCCN1C(=O)c1cccc(Cl)c1 90699852 KSIUTYPTBAOLQP-CQSZACIVSA-N 312.866 2.849 0 40 DFAB CC(=O)NCCCS[C@@H]1CCCN(c2ccccc2F)C1=O 95448526 GJYONSZMFONTFH-OAHLLOKOSA-N 324.421 2.581 0 40 DFAB Cc1cc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)ccc1F 651859280 BUPNPIJMEDQIFA-UHFFFAOYSA-N 319.348 2.944 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)O)s1 21010715 WGSSPNHZQJETQS-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(F)cc1 5212912 ZGTOUNWUGGHFRE-SNVBAGLBSA-N 316.361 2.988 0 40 DFAB Cc1ccc(OS(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 5541784 GRWPWKCCBKTVHZ-NSHDSACASA-N 323.336 2.893 0 40 DFAB CCOC(=O)Nc1ccc([C@@H]2SCCN2C(=O)NC)cc1 5618598 RBOQTIXZLLUCGP-LBPRGKRZSA-N 309.391 2.642 0 40 DFAB Cc1csc([C@H](Cc2cccs2)NC(=O)[C@@H]2CCOC2)n1 12226296 YQTRUCUWNVEWEC-YPMHNXCESA-N 322.455 2.950 0 40 DFAB CCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(-c4ccco4)nn3c1C2 12241415 IXXPMFFYAKPKEY-SMDDNHRTSA-N 322.368 2.988 0 40 DFAB Cc1cccc(C)c1OCC(=O)Oc1ccccc1C(=O)O 12346153 JOCQJCYCJSQOBQ-UHFFFAOYSA-N 300.310 2.986 0 40 DFAB COc1cc(NC(=O)CC2(C(=O)O)CCCC2)cc(OC)c1 13253100 YVZJHQXDFLAJGB-UHFFFAOYSA-N 307.346 2.677 0 40 DFAB COc1cc(OC)cc(C(=O)NCCCN2CCC(C)CC2)c1 13613608 JVCXQLPZLDBGRI-UHFFFAOYSA-N 320.433 2.556 0 40 DFAB CCCCN1C(=O)S[C@H](Nc2ccc(C(=O)O)cc2)C1=O 16740546 UXPOHLOMIOEMSH-NSHDSACASA-N 308.359 2.618 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@@H](C(=O)O)C1 16124641 XEXAQXOMAAQNNI-KGLIPLIRSA-N 305.374 2.797 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)[C@@H]1CC=CCC1 252537716 MCARAUBAFCRJLT-RBSFLKMASA-N 301.390 2.639 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CC[C@@H](Oc2ccccn2)C1 238813732 AYCPYVDVFWJRQY-CQSZACIVSA-N 301.321 2.906 0 40 DFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100057840 MPKRHHROHHFBBJ-VGWMRTNUSA-N 307.349 2.591 0 40 DFAB CC(C)N1CCO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)CC[C@H]2C1 1565545568 IWJBYZZEHNSPCO-SCTDSRPQSA-N 320.477 2.691 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)C3(F)CCC3)C[C@@H]21 1565544338 INMURMSLVUPSOM-WCQYABFASA-N 303.381 2.590 0 40 DFAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1 85559005 PWMYSWJVEBKKMK-HNNXBMFYSA-N 323.348 2.831 0 40 DFAB CCNC(=O)c1nc(-c2cccc(OC)c2)n(-c2ccccc2)n1 20529425 OBNGGDKUKUIZNP-UHFFFAOYSA-N 322.368 2.693 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCCc3c(C(N)=O)cccc32)o1 40134122 HQIJPIGOLBRPJC-MDZDMXLPSA-N 310.353 2.680 0 40 DFAB COC(=O)CNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 30690567 IVNMVOZYKPEVGC-NSHDSACASA-N 309.431 2.802 0 40 DFAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1C[C@H]2C=C[C@H]1C2 100794073 JSJWVKWNOKQEBJ-HUBLWGQQSA-N 307.353 2.588 0 40 DFAB Cc1cc(C)n2nc(C(=O)N3CC[C@H](C)c4ccccc43)nc2n1 31784715 YEQWKZXOWGNDPZ-NSHDSACASA-N 321.384 2.895 0 40 DFAB CC(C)(C)c1nnc(Cn2cnc3c(oc4ccccc43)c2=O)o1 31845334 NRLHVOMRFRALGO-UHFFFAOYSA-N 324.340 2.872 0 40 DFAB COc1ncccc1N(C)C(=O)c1cccc(N2CC=CC2)c1 101375744 MTFCXRSQUDVNSE-UHFFFAOYSA-N 309.369 2.743 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)Cc2cccc(F)c2)c1 32358705 RBBBVAOHLAQZRZ-UHFFFAOYSA-N 300.333 2.643 0 40 DFAB Cc1cccc(NC(=O)NC(=S)NC(=O)c2ccccc2)c1 366671 GGWGTWNBPRQFCU-UHFFFAOYSA-N 313.382 2.831 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)Cc2cccs2)CCC[C@H]1C 102172139 DKWFPFNDOROYEL-DYEKYZERSA-N 309.431 2.775 0 40 DFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc2c(s1)CCC2 103276472 JODVJQQTIDBHOX-JTQLQIEISA-N 313.382 2.696 0 40 DFAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccncc1 22260489 YAHVFHKYOOOSAH-UHFFFAOYSA-N 313.382 2.549 0 40 DFAB COc1cc(CNCc2cccc(F)c2)cc2c1OCCO2 42201739 QRCIXXPWRODQAA-UHFFFAOYSA-N 303.333 2.895 0 40 DFAB O=C(NC[C@@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 54540274 OGKPFBLDDSGTII-GXTWGEPZSA-N 308.353 2.518 0 40 DFAB COc1cc(-c2nc(C=O)c3ccccn23)cc(OC)c1OC 564771 UVMJVPITTMOCRS-UHFFFAOYSA-N 312.325 2.840 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1ccc(O)cc1 3254921 XOQGMKGABYYIAM-UHFFFAOYSA-N 317.366 2.910 0 40 DFAB C[C@@H](C1CC1)N(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 25060762 YUCDVTSXLQKPLC-VIFPVBQESA-N 303.431 2.704 0 40 DFAB CCCCC[C@H]1[C@H](O)C(=O)OC1(C(F)(F)F)C(F)(F)F 1614722 ZCDBTMTVDOKNEI-BQBZGAKWSA-N 308.218 2.964 0 40 DFAB CNC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSC 26488603 AYOMCHORDDJYGX-SECBINFHSA-N 307.371 2.587 0 40 DFAB C[C@H]1CCc2nc(NC(=O)NCc3ccccn3)sc2C1 6550165 RFBWVBAWDTVTBY-JTQLQIEISA-N 302.403 2.985 0 40 DFAB CCc1nnc2c(NC[C@H]3CCCN3CC)nc3ccccc3n12 7504199 SLKJFXUKLLLPLQ-CYBMUJFWSA-N 324.432 2.736 0 40 DFAB O=C(N[C@H]1CCc2c(Br)cccc21)c1csnn1 57688666 GUSBBJGKLUAWQE-JTQLQIEISA-N 324.203 2.718 0 40 DFAB Cc1sc2ncnc(OCC(=O)N3CCCCC3)c2c1C 8342261 AEPQERCNTZUUNW-UHFFFAOYSA-N 305.403 2.699 0 40 DFAB COc1ccc(/C=C/C(=O)NCCCN2CCCCC2)cc1 10276866 VDWAMROUANWYBY-DHZHZOJOSA-N 302.418 2.701 0 40 DFAB O=C(N[C@H]1CCN(C2CC2)C1)c1csc(-c2ccccc2)n1 58175490 TYCPKAKKECLQQX-ZDUSSCGKSA-N 313.426 2.777 0 40 DFAB CN(Cc1nccc[n+]1[O-])C(c1ccccc1)c1ccccc1 58162213 VONNTQKWOJSPEG-UHFFFAOYSA-N 305.381 2.936 0 40 DFAB CC(C)c1cc(NC(=O)CNC(=O)CC2CCCCC2)[nH]n1 58323623 DZXJNGLDBFSRDA-UHFFFAOYSA-N 306.410 2.558 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)c1n[nH]c2ccccc12 10486533 WDGIROQUQFQYLL-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB Cc1cc(C)nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 116827815 RYZIVHWVTYEGAP-ROUUACIJSA-N 308.429 2.662 0 40 DFAB O=C(C[C@H]1CCCO1)NCCCC(=O)Nc1ccc(Cl)cc1 58438336 KBVXDOKZQNJXRR-CQSZACIVSA-N 324.808 2.744 0 40 DFAB CC(C)[C@@H](NC(=O)NCCc1cnn(C)c1)c1cccs1 45122918 MNTQOUHRKQGLEK-CQSZACIVSA-N 306.435 2.721 0 40 DFAB Cc1ccc(NC(=O)NCc2nnc3n2CCC3)c(Cl)c1 58843350 JIWSNMLNBRYEHD-UHFFFAOYSA-N 305.769 2.508 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCCc3ccccc32)cc1 36783508 NBHZSLSNLMASNQ-UHFFFAOYSA-N 308.381 2.916 0 40 DFAB OCC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 46090736 OGWWHJDSHNYEIK-UHFFFAOYSA-N 307.781 2.594 0 40 DFAB O=S(=O)(Nc1nccs1)c1cccc(C(F)(F)F)c1 60486725 SCKDHYWARPSTNF-UHFFFAOYSA-N 308.306 2.963 0 40 DFAB Cc1noc(C)c1CC(=O)NCCCc1ccc(N(C)C)cc1 29977125 IJUJDZHGNMTBPF-UHFFFAOYSA-N 315.417 2.649 0 40 DFAB CC(C)[C@H](C)NC(=O)CSc1nc(CC2CCCC2)n[nH]1 12777596 NPXKUZFPMUCQTK-NSHDSACASA-N 310.467 2.790 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@H]2O 118913989 KPTQFNUKAKVGSS-BRMCIRSCSA-N 306.446 2.643 0 40 DFAB CCc1nnsc1C(=O)Nc1cccc(Br)n1 48303328 ULKOECXFRWQRMQ-UHFFFAOYSA-N 313.180 2.510 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O 3881325 SGYCSWPEAHDOHE-JLZSVDHQSA-N 304.430 2.852 0 40 DFAB biogenic C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 27697091 CVOUJRLVOOOHOC-NSHDSACASA-N 301.317 2.974 0 40 DFAB COc1ccc(OCCn2cc(C(F)(F)F)ccc2=O)cc1 71516619 DIJLSSOMZOGUSU-UHFFFAOYSA-N 313.275 2.955 0 40 DFAB COC(=O)[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)C(C)C 4302195 CGWXLEFVTFNJOY-GJZGRUSLSA-N 304.390 2.561 0 40 DFAB COC(=O)[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(C)C 4302194 CGWXLEFVTFNJOY-CABCVRRESA-N 304.390 2.561 0 40 DFAB C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncnc2c1cnn2C 65410509 DVRLFUNRLRTDAV-VIFPVBQESA-N 303.316 2.839 0 40 DFAB COCCSc1nnc(NC(=O)Cc2ccc(C)cc2)s1 4510445 UMZKHLMXFYPRFY-UHFFFAOYSA-N 323.443 2.766 0 40 DFAB CCCCC(=O)Nc1nonc1-c1ccc(OC)c(OC)c1 5421997 PTHCOTSWJDPXFE-UHFFFAOYSA-N 305.334 2.883 0 40 DFAB C[C@H](O)CNc1nc2sc3c(c2c2ncnn12)[C@@H](C)CCC3 5532939 KIXWGGAHXHFMTP-IUCAKERBSA-N 317.418 2.572 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)c1C 71869722 MXLCRZYYYGOAHJ-MRXNPFEDSA-N 314.433 2.935 0 40 DFAB Cc1cc(N2CCO[C@H](c3ccccc3Cl)C2)nc(N)n1 71800030 NQGMYWDRSJEJRJ-ZDUSSCGKSA-N 304.781 2.599 0 40 DFAB CC(C)(C)c1nnc(NC(=O)[C@H]2C[C@@H]3CCCCN3C2)s1 80586497 APGMDUIYGQXDOE-QWRGUYRKSA-N 308.451 2.649 0 40 DFAB CCOC(=O)N1CCN(C(=S)Nc2ccc(CC)cc2)CC1 7528196 QPGRMLFZPMKEDY-UHFFFAOYSA-N 321.446 2.720 0 40 DFAB NC(=O)c1ccc(COC(=O)c2cccc(OC(F)F)c2)cc1 16745261 OXTQOGWPEVJZOC-UHFFFAOYSA-N 321.279 2.744 0 40 DFAB Cc1cc(C)n(C2CN(C[C@H](O)c3ccccc3Cl)C2)n1 70005009 ZDRAVNZKHINVFN-INIZCTEOSA-N 305.809 2.744 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](n2ccnc2)C1 70011766 UTRFCYSTSNDLGH-MRXNPFEDSA-N 313.401 2.606 0 40 DFAB CC(C)(C)c1noc(Cn2c(=O)oc3cc(Cl)ccc32)n1 69569205 KANVHIUKLQARML-UHFFFAOYSA-N 307.737 2.977 0 40 DFAB O=C(NCc1ccc(Cl)cc1)N(CCCO)CC(F)(F)F 69778111 YCUKWFKJZHEAIA-UHFFFAOYSA-N 324.730 2.796 0 40 DFAB COc1cccc(CN(C)C(=O)c2cccc(-n3cncn3)c2)c1 72285725 VNUNFFCQZQFLHR-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)c(F)c1 8778599 OOYQGRPFACHLKR-UHFFFAOYSA-N 313.332 2.683 0 40 DFAB COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1cccnc1 8741382 SVTNUXVEOZVMSO-MRXNPFEDSA-N 320.352 2.871 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 72282127 KWOWCOCNLPAJHP-JSGCOSHPSA-N 308.447 2.981 0 40 DFAB Cc1cc(C)cc(C2(C(=O)N[C@H]3CCc4nccn4C3)CC2)c1 72278670 NEIOGWFFSBQORJ-INIZCTEOSA-N 309.413 2.663 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(Cl)ccc1O 9038921 AHWNUMKDECSWRN-UHFFFAOYSA-N 318.716 2.592 0 40 DFAB Cc1ccoc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 97017832 NUVGQLWTCJNYSB-CYBMUJFWSA-N 301.342 2.951 0 40 DFAB CC[C@](C)(NC(=O)c1ccc(-c2ccco2)nc1C)C(=O)OC 71186235 AIFHTALCVNRLTE-KRWDZBQOSA-N 316.357 2.722 0 40 DFAB COC[C@@H]1CCN(C(=O)c2cccc(Br)c2C)C1 88445916 XIPHUMMFOASUPT-LLVKDONJSA-N 312.207 2.866 0 40 DFAB CCNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 96009403 ZFAKJFRXZRVNBZ-ZDUSSCGKSA-N 305.426 2.761 0 40 DFAB CC(C)[C@H]1OCC[C@@H]1CNCc1ccc(N2CCCC2)nc1 97165766 BOTJGSIBJJDHMC-SJLPKXTDSA-N 303.450 2.833 0 40 DFAB Cc1nc([C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)no1 95998861 OUGHSYUVWWDMPJ-LBPRGKRZSA-N 322.752 2.637 0 40 DFAB CC[C@@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)c1nc(C)n[nH]1 84613898 PPWISTDZKJZQCN-IAQYHMDHSA-N 316.405 2.883 0 40 DFAB O=C(Nc1cnccc1SCCCO)c1cc2occc2[nH]1 95978699 FFXCSQQZBFXJBK-UHFFFAOYSA-N 317.370 2.883 0 40 DFAB CSc1ccc(C)c(C(=O)NCCNc2ccc(C)nn2)c1 75127554 MZVPZLLBHLXGQC-UHFFFAOYSA-N 316.430 2.657 0 40 DFAB Cc1ccc(N(C)C2CCN(C(=O)[C@H]3CC=CCC3)CC2)nn1 89652318 VKJUCYPASRRKEW-HNNXBMFYSA-N 314.433 2.569 0 40 DFAB O=P(O)(O)Nc1nc(Cl)sc1Cc1ccccc1 36635918 LDPAJSXYNHZZFC-UHFFFAOYSA-N 304.695 2.892 0 40 DFAB CCn1c(CNC(=O)/C=C(/C)c2ccc(F)cc2)n[nH]c1=S 78496388 MYFVOLWQCRLYGW-NTMALXAHSA-N 320.393 2.819 0 40 DFAB CC(C)n1cc(S(=O)(=O)NCc2ccc(Cl)cc2)cn1 72239265 GLKJDNOGHUNJCD-UHFFFAOYSA-N 313.810 2.596 0 40 DFAB CCOc1ccc(C(=O)NC[C@]2(O)CCCc3occc32)cc1 1565522483 ISZXRIJVWNMNGZ-GOSISDBHSA-N 315.369 2.632 0 40 DFAB Cc1[nH]c2ccccc2c1C1=CCN([C@H](C)c2nnnn2C)CC1 189681063 UJGGDZMCGZRCHO-CYBMUJFWSA-N 322.416 2.850 0 40 DFAB CCCc1nc(CN(CCCO)[C@@H]2CCc3ccccc32)no1 79311609 DJCGGWVGRSFKKT-MRXNPFEDSA-N 315.417 2.894 0 40 DFAB Cc1ncsc1C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 187830657 QVLHDPBVRMMEAK-BXKDBHETSA-N 322.352 2.665 0 40 DFAB COC1=CCC2=C(CCN[C@H]2Cc2ccc(OC)c(O)c2)C1 39386789 RGMXKRONJUYMJY-INIZCTEOSA-N 301.386 2.926 0 40 DFAB biogenic,in-vitro CCOC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 45958558 DOZLAFWDIGDWEH-AWEZNQCLSA-N 316.401 2.593 0 40 DFAB Cc1cc(C)cc(C(=O)NCc2nccc(N3CCCC3)n2)c1 224151510 QUVWMPTVPLWADF-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB COc1ccc(NC(=S)NCCSCc2ccco2)cn1 225349573 RQKNKIOMRICKIA-UHFFFAOYSA-N 323.443 2.903 0 40 DFAB CCC[C@H](NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 40088820 AYYJBKPKYJHVRU-IMJJTQAJSA-N 302.418 2.806 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1cnccn1 80471813 WTLHIIHPGLMOTK-NSHDSACASA-N 318.352 2.527 0 40 DFAB C[C@]1(C(=O)NCc2cccc(C(=O)O)c2)CC1(Cl)Cl 195541955 WTEWKHUPFOKPJH-GFCCVEGCSA-N 302.157 2.585 0 40 DFAB COC(C)(C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225599071 AWPXIAOWBIDMKN-UHFFFAOYSA-N 306.406 2.525 0 40 DFAB O=C(N[C@H]1C=CCCC1)N1CCC2(C1)Oc1ccccc1O2 572036705 AAGHEJSDPGHNMC-ZDUSSCGKSA-N 300.358 2.678 0 40 DFAB COc1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1 42646594 OZTWZCJMBHGGTA-UHFFFAOYSA-N 318.760 2.604 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccnc2)C1 225731935 AMSNCJHAXSZPGN-ZIAGYGMSSA-N 306.479 2.736 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 45745477 VMGMSCOTHJLKDF-OAHLLOKOSA-N 318.442 2.798 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)c[nH]1 89353787 YMGZWMOMKDOURU-DOTOQJQBSA-N 320.433 2.787 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCOC2)c1 80083920 SPXPIAINPFYXGH-LBPRGKRZSA-N 322.380 2.719 0 40 DFAB Cn1cccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 96475354 WOSVFFCAQSHRTM-ZDUSSCGKSA-N 312.291 2.507 0 40 DFAB O=C(O)c1ncn(Cc2ccc(Cl)cc2Cl)c1C(=O)O 95116253 ZELVTJFDLCCUKR-UHFFFAOYSA-N 315.112 2.635 0 40 DFAB CO[C@@]1(C)C[C@H](N(C)C(=O)NCCc2ccc(O)cc2)C1(C)C 331418499 LEFCHIBICWCACU-YJBOKZPZSA-N 320.433 2.780 0 40 DFAB O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccncc1 96452615 CKJGTDRYQNWSSH-OAHLLOKOSA-N 324.380 2.791 0 40 DFAB c1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)nc1 96046513 HNKZRFNNBHGZBN-UHFFFAOYSA-N 322.456 2.965 0 40 DFAB CC(=O)Nc1ccccc1CN1CCN(CCC(C)C)CC1 96489689 ACXHINGLKLQQGE-UHFFFAOYSA-N 303.450 2.809 0 40 DFAB O=C(N1CCCC1)N1CC[C@@]2(CCCN(c3ccccn3)C2)C1 96216815 NCURYMUZCDXWTO-GOSISDBHSA-N 314.433 2.590 0 40 DFAB O[C@@H](CN1CCC(OC2CCOCC2)CC1)c1cccc(F)c1 96417440 CBUYVFUYUDSQES-SFHVURJKSA-N 323.408 2.519 0 40 DFAB C[C@@H]1CCCN(c2cc(C(=O)N(C)Cc3ccc[nH]3)ccn2)C1 331404600 MJVHDZAICUHPOS-CQSZACIVSA-N 312.417 2.918 0 40 DFAB Cn1ccnc1C[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1 97236843 GJYZAZFFKAOFCP-ZDUSSCGKSA-N 316.474 2.820 0 40 DFAB CCN1CC[C@@H](NCc2ccnc(OCC3CC3)c2)[C@H](C)C1 96477391 MNYWMMGUVMHAIH-RHSMWYFYSA-N 303.450 2.690 0 40 DFAB O=C(Nc1cnc(-n2ccnc2)nc1)c1c(F)cccc1Cl 85555471 RCRMYKPRCMSFNS-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CO[C@H]1CCCOC12CCN(C(=O)Cc1ccccc1F)CC2 257204045 ASVDXFSBYOSQSL-INIZCTEOSA-N 321.392 2.555 0 40 DFAB Cc1ccnc([C@@]2(C)CCCN2C(=O)c2scnc2C)n1 257280353 OKMJQVRUWYSUAM-OAHLLOKOSA-N 302.403 2.701 0 40 DFAB CCOC(=O)[C@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1 96316100 UCPQPKUCXPJAGY-YMTOWFKASA-N 308.765 2.963 0 40 DFAB Cc1nc(N2CCNC(=O)CC2)c2c(CC(C)C)csc2n1 65492824 BMLOKWGMQDPFOD-UHFFFAOYSA-N 318.446 2.525 0 40 DFAB c1ccc(O[C@H]2CCOC3(C2)CN(Cc2cccs2)C3)nc1 585104398 HXFVIOOUIDBFQF-AWEZNQCLSA-N 316.426 2.956 0 40 DFAB Cc1ncsc1C(=O)Nc1ccccc1S(=O)(=O)C(C)C 69529876 UKGNXPPOWWYIKQ-UHFFFAOYSA-N 324.427 2.886 0 40 DFAB Cc1csc(C(=O)NCc2ccc(-c3ccnn3C)nc2)c1 952993267 LJVNQFDFPWANOA-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB Cc1ccc(NC(=O)CN[C@H]2CCN(Cc3ccccc3)C2)cc1 34858922 RPZFYNDUYZUCDX-IBGZPJMESA-N 323.440 2.798 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@@H]2CC[C@H](SC)C2)c1C 83836687 KOPAZYJYPMKQMS-OLZOCXBDSA-N 310.467 2.603 0 40 DFAB COc1ccccc1[C@H]1CC[C@H](C)CN1c1nccn2nnnc12 521394186 PUTWOEDFPMOLPP-GXTWGEPZSA-N 324.388 2.506 0 40 DFAB Cc1cc(NC(=O)N2Cc3ccccc3NC(=O)[C@H]2C)sn1 1548449021 LYQGWAQUWUGTRI-SNVBAGLBSA-N 316.386 2.826 0 40 DFAB CCOC(=O)[C@H]1C[C@@H]2C(=O)CCC[C@@H]2N1Cc1ccccc1 1547139800 DXSMTEWPKYIUAB-HRCADAONSA-N 301.386 2.562 0 40 DFAB Cc1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 82917 WUGSWMSFIXCDLM-RVDMUPIBSA-N 319.389 2.674 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1ccco1 12154835 GOVCEZVNMMGCAT-YPMHNXCESA-N 308.341 2.533 0 40 DFAB O=C(CCn1c(-c2cccnc2)cc2cccnc21)NC1CC1 12328117 KRWOWECBOYDAHU-UHFFFAOYSA-N 306.369 2.767 0 40 DFAB CC(=O)N1N=C(c2ccc(C)cc2)Sc2c1ncn2C(C)=O 16777102 STMHMDNANDFSDI-UHFFFAOYSA-N 314.370 2.672 0 40 DFAB CC[C@H](N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F 161513357 IULXTXJDWHIYCP-SKDRFNHKSA-N 305.802 2.707 0 40 DFAB CC(C)(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719071 YQTSPXJAVNWFFL-UHFFFAOYSA-N 314.385 2.510 0 40 DFAB CCn1cc(Br)c(C(=O)Nc2cc(C)ccn2)n1 28235786 BZQGYJDCHLPTLG-UHFFFAOYSA-N 309.167 2.621 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)c(C)c1 3178196 IQEMAKMOCDWFIA-UHFFFAOYSA-N 314.360 2.740 0 40 DFAB CSc1cccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c1 4517495 JONPXMQIWPLJFF-UHFFFAOYSA-N 312.350 2.544 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)c(C)c1 7549070 CYPIOUNWBYAUOM-UHFFFAOYSA-N 311.381 2.819 0 40 DFAB Cc1csc(C(=O)NCc2nccnc2-c2cccnc2)c1 575620111 PPGWQWPRNPQRBA-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cn1cc(-c2cc(CNc3ncc(Cl)cn3)ccn2)cn1 1159110514 XUEOSRXRUUWLAF-UHFFFAOYSA-N 300.753 2.538 0 40 DFAB Cc1cc(C)n(CCNCc2cc(-c3ccccc3)c[nH]c2=O)n1 12184801 PJFYBBKWENKLQG-UHFFFAOYSA-N 322.412 2.645 0 40 DFAB OCc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1F 96493473 UDBZXLLVWKPOAW-OIISXLGYSA-N 305.393 2.755 0 40 DFAB CCN(CC)C(=O)COc1ccc(Br)cc1F 40159263 FTJIGXOMNRBSER-UHFFFAOYSA-N 304.159 2.835 0 40 DFAB O=C(NOCc1ccccc1)c1ccn(-c2ccc(F)cc2)n1 30888758 XZQJCFJHYMGZFL-UHFFFAOYSA-N 311.316 2.873 0 40 DFAB CS(=O)(=O)CCN1CCc2sccc2[C@@H]1c1ccccc1 40468450 WLZWORNKSQVMSO-INIZCTEOSA-N 321.467 2.740 0 40 DFAB CC(C)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 40497183 FPDJVENZJVWISA-CQSZACIVSA-N 305.353 2.906 0 40 DFAB O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1cccnc1 31967193 FJKBGMLMMJKDRG-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 522757 DGJVIIKJRRWRTH-UHFFFAOYSA-N 308.337 2.901 0 40 DFAB CNC(=O)c1ccc(CN(C)c2ncnc3cccc(F)c23)cc1 54044480 YCEMYOPKPAXUGJ-UHFFFAOYSA-N 324.359 2.765 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2nc(C)n3c2CCCC3)C12CCC2 81835586 OBNSACMIQJCURO-GJZGRUSLSA-N 317.433 2.605 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)NC[C@@H](c1cccs1)N(C)C 28415443 BQNFWIYPHJSRSO-OCCSQVGLSA-N 321.446 2.874 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCCc1cccs1 40476422 GFXQXWIEJWSDRB-UHFFFAOYSA-N 318.398 2.861 0 40 DFAB O=C1C[C@H](C(=O)NCCc2ccsc2)c2ccccc2N1 40509504 RNDCMSXURYQQCW-ZDUSSCGKSA-N 300.383 2.533 0 40 DFAB CO[C@H]1OC[C@H]2OC(C)(C)O[C@@H]2[C@H]1Oc1c(C)cc(C)cc1C 4829710 GGLPLAULEGCCCC-XBVQOTNRSA-N 322.401 2.882 0 40 DFAB CCCN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 6656121 BVVZRQLRBSWVBF-YRNVUSSQSA-N 308.315 2.747 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)Cc1cccs1)OCO2 7737734 SYPCDOJAIWRLHP-UHFFFAOYSA-N 303.339 2.861 0 40 DFAB Nc1cc(OCC(F)(F)F)cc(-n2nc3ccccc3n2)c1 2549462 TXEHQTWXDRFHJZ-UHFFFAOYSA-N 308.263 2.944 0 40 DFAB O=C(CCOc1ccccc1)NCc1cnn(-c2ccccc2)c1 11560792 GFBXMFBBZWMHEN-UHFFFAOYSA-N 321.380 2.958 0 40 DFAB CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(C)o1)c1ccccc1 29270928 FEWLUULEBZKTLN-QGZVFWFLSA-N 314.385 2.814 0 40 DFAB COC(=O)c1cc(I)c2cc[nH]c2c1 386441 MOAJPKHWYSXCSH-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB Cc1ccc(OCCN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 29464835 LGMVYQMKKXCTSN-UHFFFAOYSA-N 316.401 2.971 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 32738227 RDGPPCODTPTPOX-ZDUSSCGKSA-N 316.401 2.623 0 40 DFAB Cc1nnc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1C 52611886 XXCUCBSIQFXTJY-ZDUSSCGKSA-N 311.389 2.644 0 40 DFAB COc1ccc([C@@H](CNC[C@H](O)c2ccccc2)N(C)C)cc1 22029457 LFUAQHYZPOUABM-MOPGFXCFSA-N 314.429 2.621 0 40 DFAB CCOc1ccc(NC(C)C)cc1S(=O)(=O)N1CCCC1 75094724 NYRFPVAGAVCYDM-UHFFFAOYSA-N 312.435 2.690 0 40 DFAB COc1cc(CN[C@@H](C)c2cccnc2)cc2c1OCCO2 22792678 VMQAEQLDMNERQY-LBPRGKRZSA-N 300.358 2.712 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1cc2ccccc2oc1=O 23196729 CLDWMIMCPILESW-KNTRCKAVSA-N 308.337 2.592 0 40 DFAB CC(=O)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101408838 SJOLFOFHWQIEFO-UHFFFAOYSA-N 321.332 2.858 0 40 DFAB CN(CCc1cccs1)[C@H]1CCCN(c2cccnn2)C1 75128816 LTAJQXMSGGHCCI-AWEZNQCLSA-N 302.447 2.681 0 40 DFAB Cn1c(CSc2nnnn2C2CC2)nc2cc(Cl)ccc21 43242472 YJEDRZCZSHMGLS-UHFFFAOYSA-N 320.809 2.840 0 40 DFAB COc1ccccc1CNC(=O)Nc1nnc(C2CC2)s1 43360351 ALNIFNUNZLCCID-UHFFFAOYSA-N 304.375 2.746 0 40 DFAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)c[nH]1 55553120 HXTPNVJOJIVTHI-IONNQARKSA-N 305.359 2.519 0 40 DFAB NC(=O)[C@@H](NCCOc1ccc(Cl)cc1)c1ccccc1 26220799 KWZWQNVKYFQOBB-HNNXBMFYSA-N 304.777 2.535 0 40 DFAB Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)no1 12543295 LCAWGOAZFPREAY-UHFFFAOYSA-N 321.764 2.725 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)Cc1ccc(F)cc1 57218353 CTGSKPWWWDBQMO-UHFFFAOYSA-N 310.332 2.896 0 40 DFAB CCn1nc(C)c(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c1C 68166333 KSMRDILIHPSIJM-CQSZACIVSA-N 317.364 2.913 0 40 DFAB O=C(COc1ncnc2ccccc12)Nc1c(F)cccc1F 3266878 HVXXFWFGHLDZPA-UHFFFAOYSA-N 315.279 2.926 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)no1 27296079 JVVHBMLOBFQWNV-LLVKDONJSA-N 313.357 2.823 0 40 DFAB CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409195238 SPHQMVTYHODTMF-LFIBNONCSA-N 308.337 2.788 0 40 DFAB CCC(CC)[C@@H](NC(=O)CNC(=O)C1CC1)c1cccs1 58246961 BWLYGSIUYCESIS-OAHLLOKOSA-N 308.447 2.868 0 40 DFAB O=C(Nc1ccn(Cc2ccccc2)n1)N1CCSCC1 44973481 ATKDWBWUSLUNHQ-UHFFFAOYSA-N 302.403 2.512 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)NCc3ccccc3F)cc12 48105200 IFCBDIRPDOZOJN-UHFFFAOYSA-N 313.336 2.738 0 40 DFAB COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 27880444 NOLCKIFXVIYSAH-GHMZBOCLSA-N 302.296 2.941 0 40 DFAB CN(C)S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 27968576 LICMXJWTQKTZLJ-MRXNPFEDSA-N 322.405 2.653 0 40 DFAB O=C(NCc1cccnc1)c1cccc(Nc2ncccn2)c1 28097404 UWIVARIBQNMCSD-UHFFFAOYSA-N 305.341 2.545 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)c(C)c1 3386952 YHNWROABSJBMOV-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3ncccc3Cl)CC2)o1 48293987 IFJSQGMRPMUAMI-UHFFFAOYSA-N 319.792 2.853 0 40 DFAB O=C1C[C@H](c2ccccc2)N(C(=O)NC2CCCCC2)CCN1 48344857 FIHUZRBDCADENA-MRXNPFEDSA-N 315.417 2.592 0 40 DFAB Cc1ccccc1NC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O 12894887 FGFZFTOYFCAKOW-UHFFFAOYSA-N 303.387 2.621 0 40 DFAB Cn1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 12823966 AZJJTKNVDJIBBG-UHFFFAOYSA-N 311.385 2.901 0 40 DFAB CCC[C@H](C)NC(=O)COC(=O)c1ccc2ncsc2c1 3479110 QFKFYSKJASAQNO-JTQLQIEISA-N 306.387 2.758 0 40 DFAB CCCCc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1 67889851 BGZPATGNTIEOGR-RISCZKNCSA-N 314.451 2.524 0 40 DFAB biogenic,in-vitro Cc1cnn([C@H](C)[C@H](C)NCc2cn(C)nc2-c2cccnc2)c1 69489435 WXAZZVZGGQZHEW-LSDHHAIUSA-N 324.432 2.726 0 40 DFAB Cc1ccccc1C1(C(=O)NCc2nccs2)CCOCC1 65488175 RTHBAGHHXVTLDF-UHFFFAOYSA-N 316.426 2.816 0 40 DFAB COC[C@H](C)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 65428234 BLVLSTJTNRWDNP-QWHCGFSZSA-N 317.389 2.752 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 65568545 VINDRTMUVXOYNR-MCIONIFRSA-N 317.433 2.523 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccccc2)n1 65568387 DGHBVIUNHHGPRJ-UHFFFAOYSA-N 306.369 2.570 0 40 DFAB Cc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 6590052 IQCHBJFVHXTGKS-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 40554081 WIUSCOSOXKSEQS-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB O=c1cc(CN2CCC[C@H](c3ccccc3)CC2)[nH]c2ccnn12 66498216 GDNPSIJHQFXRHI-INIZCTEOSA-N 322.412 2.792 0 40 DFAB CCOC(=O)Nc1nnc(SC[C@H]2CCCN(C)C2)s1 69978311 XRONPINCCUAZMO-VIFPVBQESA-N 316.452 2.540 0 40 DFAB COC(=O)[C@H](C)N(Cc1nc(-c2ccco2)oc1C)C1CC1 69699411 VBZBPRQCGOLEPD-JTQLQIEISA-N 304.346 2.769 0 40 DFAB O=C(Cn1ncnc1-c1ccccc1Cl)NCc1ccco1 69618091 FKTYAPOPYIQSJN-UHFFFAOYSA-N 316.748 2.508 0 40 DFAB CC(C)c1nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cs1 69628674 SUAZVQVNHVQGIJ-CYBMUJFWSA-N 304.419 2.977 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(C)cs1 7039078 BPYKAMQDPLVKNA-UHFFFAOYSA-N 304.371 2.844 0 40 DFAB Cc1ccc(NCC(=O)NC(=O)NC(C)C)cc1C(F)(F)F 8710977 NSNVFZYNHVJSTK-UHFFFAOYSA-N 317.311 2.660 0 40 DFAB CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 92669582 JJUMCSQSEUBCOA-UHFFFAOYSA-N 309.413 2.849 0 40 DFAB CCO[C@@H]1CCCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 71855479 VTJCPGIOKDRBLR-CYBMUJFWSA-N 306.410 2.807 0 40 DFAB Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(N)=O)c1 8993847 IHEWVJSENARIJC-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 9157553 LYVSJKQYCDVIIM-CYBMUJFWSA-N 311.385 3.000 0 40 DFAB O=C(CCC(F)(F)F)Nc1nc(-c2ccncc2)ns1 96009999 XWGYCMWDXULAGQ-UHFFFAOYSA-N 302.281 2.881 0 40 DFAB CN(C)[C@H](C(=O)NCCOCc1ccccc1)c1ccccc1 177063882 FZCHOJPWCMHNJY-SFHVURJKSA-N 312.413 2.622 0 40 DFAB NC(=O)CC1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 71792996 SURVKHIIVYUNDN-SNAWJCMRSA-N 324.783 2.606 0 40 DFAB COC(=O)CN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 9691362 DKZBVRADCBYETQ-UHFFFAOYSA-N 317.366 2.553 0 40 DFAB CC[C@H](COC)NC(=O)CCCc1nnc(-c2ccccc2)o1 71915376 XPPUFAUGGUOXPE-CQSZACIVSA-N 317.389 2.601 0 40 DFAB CC[C@@H](OC(=O)c1ccc(=O)n(C)n1)C(C)(C)c1ccccc1 78869704 ZORQWTIPQUMIDN-OAHLLOKOSA-N 314.385 2.694 0 40 DFAB CN(C)C(=O)CCN1CCSC[C@H]1c1ccc(Cl)cc1 72286552 RRBRUBQVFCUVLC-AWEZNQCLSA-N 312.866 2.908 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282814 OLZPTNOQDIKWNB-QWHCGFSZSA-N 317.364 2.722 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cscn1)c1cccc(Cl)c1 97036528 XUPNZILJARWQEO-JTQLQIEISA-N 310.762 2.742 0 40 DFAB CC1CCN(CCSc2nc(-c3ccccn3)n[nH]2)CC1 79094978 SBICOBSILCBHSD-UHFFFAOYSA-N 303.435 2.691 0 40 DFAB CC1CCC(N(C)C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 97109344 PVBOUIPALURLNC-AVVWSFFYSA-N 318.417 2.900 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)c2ccc(C)s2)cc1 97232675 YOIRRCQNGCJMIU-CQSZACIVSA-N 305.399 2.871 0 40 DFAB COc1nccc(N(C)C)c1NC(=O)c1cc(C(C)C)no1 72651102 CNPKQBNCKSOBGQ-UHFFFAOYSA-N 304.350 2.520 0 40 DFAB CSCc1cc(NC(=O)N2CC[C@H](O)C2)ccc1Cl 95403963 YMODLGBQHCSPFB-NSHDSACASA-N 300.811 2.802 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)NCc2ccsc2)cc1 95449783 IEXWCTKTWBSYNL-HNNXBMFYSA-N 320.414 2.632 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)NCc2nccn2CC(C)C)c1 95986187 DRNLKVLOALGSQR-UHFFFAOYSA-N 321.446 2.634 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95996743 NNPCNNKBKQPVSN-CQSZACIVSA-N 305.422 2.578 0 40 DFAB Cc1noc(CCNC(=O)c2cc(Cl)cc(Cl)c2)n1 60241569 POSMRXAUGLGNGY-UHFFFAOYSA-N 300.145 2.657 0 40 DFAB C[C@H]1[C@H](CCN2CCCCC2)COCCN1C(=O)C1=CCCC1 306139007 SMZINNNAAMRVDB-FUHWJXTLSA-N 320.477 2.836 0 40 DFAB COCCCNc1nc(-c2cn(C)nc2C)cc(C(F)F)n1 36618617 HFGPXGNQJLASEN-UHFFFAOYSA-N 311.336 2.572 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)nc1 72330260 SNCJVTDEUDTLIJ-UHFFFAOYSA-N 314.341 2.503 0 40 DFAB c1ccc(-c2nnc([C@H]3CCCN(Cc4cccnc4)C3)o2)nc1 72390032 XUBBVYRNMIWQMB-HNNXBMFYSA-N 321.384 2.906 0 40 DFAB Cc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 39957008 CSDULTGTPASESO-INIZCTEOSA-N 313.353 2.917 0 40 DFAB Cc1ccccc1C[C@H](CO)NC(=O)c1ncsc1C(C)C 567051330 MNIYPNAPWHODFS-CQSZACIVSA-N 318.442 2.908 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCC1CCCC1 562714537 AZAAFRDMVJNGQB-LLVKDONJSA-N 314.451 2.722 0 40 DFAB CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C(=O)OC 225811664 AQPYMLHJGJGPRA-KRWDZBQOSA-N 321.373 2.626 0 40 DFAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2F)n1 42217718 AODJEKHORMADHM-VOTSOKGWSA-N 320.345 2.650 0 40 DFAB COc1ccc(CNS(=O)(=O)c2ccc(F)cc2C)cc1 45520813 VFOBGVBRZQKVCF-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB O=C(O)c1cc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cs1 574824311 UYLSICBIIJYDTG-STQMWFEESA-N 323.439 2.716 0 40 DFAB Cc1nc(-c2ccccc2)ncc1C(=O)NCc1cccnc1 82308662 BIFQSCUTXUJTIT-UHFFFAOYSA-N 304.353 2.777 0 40 DFAB Cc1onc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1C(=O)O 571931979 YDTMZFYEEDUMFA-NHYWBVRUSA-N 316.357 2.643 0 40 DFAB COCCn1c([C@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183690 MUDGUOKHYUDKJK-ZDUSSCGKSA-N 324.384 2.569 0 40 DFAB CCc1nc(C(=O)N2CCCN(C)c3ccc(F)cc32)c[nH]1 89279842 AEAPSLADMHMCOW-UHFFFAOYSA-N 302.353 2.598 0 40 DFAB COc1ccnc(CNC(C)(C)c2ccc3c(c2)OCO3)c1 97371938 XDFOJWGNRUJGLA-UHFFFAOYSA-N 300.358 2.844 0 40 DFAB CC1(C)C[C@H](NCc2ccnc(O[C@@H]3CCOC3)c2)C(C)(C)O1 90954773 RTJLLBSTHLNLKD-CABCVRRESA-N 320.433 2.685 0 40 DFAB CCc1cnc(CCNC(=O)Nc2ccc(N(C)C)nc2)s1 96434025 ZBXIGLQERBSLLL-UHFFFAOYSA-N 319.434 2.531 0 40 DFAB CC(C)CN1CCC[C@@]2(CCN(C(=O)Cc3ccccn3)C2)C1 96215282 PZBFFTAZCAVGRM-LJQANCHMSA-N 315.461 2.595 0 40 DFAB O=C(Nc1ccsc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 96412494 BILJRNCNWDOQFB-CYBMUJFWSA-N 300.383 2.735 0 40 DFAB Cc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1OCC(F)F 96403317 DFAXPUQMEXHIRU-LLVKDONJSA-N 314.332 2.892 0 40 DFAB Cc1cccc(CN2CC[C@H]3CO[C@H](CN(C)C(C)C)[C@H]3C2)n1 96185408 XLKJSTJRXHYYTC-YTQUADARSA-N 317.477 2.567 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 96432701 XKUCPIXXIJEIGW-HNNXBMFYSA-N 324.371 2.694 0 40 DFAB Cn1cc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccc1=O 96412564 WAGFMUGRIHGJAS-UHFFFAOYSA-N 314.389 2.799 0 40 DFAB OC[C@H](CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)Cc1ccccn1 245339275 RQFIZQYPXNZHJP-TTWWCZNXSA-N 300.446 2.647 0 40 DFAB c1cc(CO[C@@H]2CCOC3(C2)CN(Cc2ccoc2)C3)ccn1 247956408 OHLDQUFPOXYGOE-QGZVFWFLSA-N 314.385 2.625 0 40 DFAB C[C@@]1(O)CCN(Cc2nccs2)C[C@H]1Oc1ccccc1 257238654 HLYDQBHZOKCUPP-GDBMZVCRSA-N 304.415 2.547 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cccs2)C1 257237230 HFQIORUDQLBHML-LBPRGKRZSA-N 316.430 2.675 0 40 DFAB COCCN1CCC[C@@H]1c1cccc(-c2cnc(C)n2C)n1 257329402 XJVMLADLIQGASD-MRXNPFEDSA-N 300.406 2.574 0 40 DFAB CCC(CC)C(=O)N1CCCC[C@H]1c1ncc(C(N)=O)s1 257293777 QRDWMVRCKMHPRM-NSHDSACASA-N 309.435 2.732 0 40 DFAB O=C(c1cccnc1)N1CCC[C@H](Oc2ccncc2Cl)C1 575614271 YCUCSMVPNYOUMH-ZDUSSCGKSA-N 317.776 2.814 0 40 DFAB Cc1nccc(NC(=O)NCc2cccc(OC3CC3)c2F)n1 666709427 PRQZCNKIGZPIMA-UHFFFAOYSA-N 316.336 2.787 0 40 DFAB Cc1cccc(N2CCN(C(=O)CC(F)(F)F)CC2)c1C 43070512 YITMKJUGQVVRGY-UHFFFAOYSA-N 300.324 2.904 0 40 DFAB CNC(=S)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 63674189 SHJGAGOSHHIQKY-UHFFFAOYSA-N 302.447 2.734 0 40 DFAB C[C@H](NC(=O)c1nccc2ccccc12)C(=O)Nc1ccccc1 71899416 CCGZNFADJASXFT-ZDUSSCGKSA-N 319.364 2.992 0 40 DFAB C[C@H](O)c1ccccc1NC(=O)c1ccc(-c2ccco2)[nH]c1=O 97046311 MIJBRWOGGJLOPZ-NSHDSACASA-N 324.336 2.941 0 40 DFAB C[C@H]1C[C@@H](Cc2ccccc2C[C@@H]2C[C@H](C)OC2=O)C(=O)O1 5051689 SOAJBEJMQHFQQP-APYUEPQZSA-N 302.370 2.675 0 40 DFAB Cc1nc2sccn2c1CN1CCC[C@H](c2ccn[nH]2)C1 12246336 KFIHFHUAYUNXQY-LBPRGKRZSA-N 301.419 2.807 0 40 DFAB COc1ccccc1NC(=O)/C=C/c1cnc(SC)nc1 6407890 FFLFCQGRJAJTKT-BQYQJAHWSA-N 301.371 2.859 0 40 DFAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1 17247017 XSNOOYTZFDPXTQ-XHSDSOJGSA-N 307.434 2.659 0 40 DFAB O=C(Cc1ccccc1Br)N1C[C@H]2C[C@H]1CS2 575606047 JKZDGECTNOTKCX-WDEREUQCSA-N 312.232 2.708 0 40 DFAB Cc1nc2c(c(N(C)Cc3ccc4c(c3)OCCO4)n1)CCC2 1888875857 QLQMXHZBNYUXTN-UHFFFAOYSA-N 311.385 2.681 0 40 DFAB COc1ccc2sc(NC(=O)c3ncnc(C)c3C)nc2c1 1888890583 ZGSJGQGHIPJLAR-UHFFFAOYSA-N 314.370 2.964 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1ncnc2c1CCCC2 1888890674 WLQSZWNMEMHONC-UHFFFAOYSA-N 320.396 2.809 0 40 DFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(OC)c1 13947234 HNDGLYOTAXPXMC-LBPRGKRZSA-N 313.419 2.657 0 40 DFAB CCOc1ccc(CC(=O)NCC2(OC)CCSCC2)cc1 1849992259 HLODYUFCZKHBBS-UHFFFAOYSA-N 323.458 2.656 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)C[C@@H](C)O1 21821863 YYKGRSUPRGGBOR-NXEZZACHSA-N 300.761 2.527 0 40 DFAB COCCN1C(=O)CCC[C@H]2CN(C3CCCCC3)CC[C@H]21 2037849804 MHIRHOXLRRENKM-DOTOQJQBSA-N 308.466 2.669 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC[C@@H]1COC2(CCCC2)O1 10220469 APUFKZLSSCIGAM-CQSZACIVSA-N 309.793 2.684 0 40 DFAB CO[C@](C)(CNc1cc(C)nc2ncnn12)c1ccccc1F 1775972482 IASAFYCZUOYKIY-MRXNPFEDSA-N 315.352 2.546 0 40 DFAB C[C@@H]1CCc2c(sc3ncn(C4CCNCC4)c(=O)c23)C1 12145467 JXYKJRVCIGXKNS-SNVBAGLBSA-N 303.431 2.507 0 40 DFAB O=c1oc(-c2ccco2)nn1Cc1cccc(OC(F)F)c1 50247682 WJMOLNWFHQEJQV-UHFFFAOYSA-N 308.240 2.746 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1cc(=O)[nH]c2ccccc12 7056509 GWEBYRWXEIYXQY-UHFFFAOYSA-N 311.366 2.726 0 40 DFAB CCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)OC)ccc1-2 177261 VIGBGLNPMVBYIM-UHFFFAOYSA-N 312.321 2.849 0 40 DFAB C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 59181813 IYQAAZHLBBJUNB-NWANDNLSSA-N 316.401 2.968 0 40 DFAB in-vitro O=C(/C=C/c1cccc(F)c1)N1CCN(c2ccccn2)CC1 100870721 WRFVWNMHCJCSCM-BQYQJAHWSA-N 311.360 2.583 0 40 DFAB CC(C)[C@@H](OC(=O)c1ccco1)C(=O)NCCc1ccccc1 4900128 RZRYMHNOMCGLTN-MRXNPFEDSA-N 315.369 2.820 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C)c(F)c1 6113448 BTKGZUQGZWIKCL-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)NC(C)(C)C 7659442 MTGKDVPARDLGGA-UHFFFAOYSA-N 315.417 2.506 0 40 DFAB NC(=O)Cc1ccccc1NC(=O)N[C@H]1CCCc2ccccc21 45723872 ZGYUREHOPQGFEJ-KRWDZBQOSA-N 323.396 2.914 0 40 DFAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc[nH]c1=O 29354964 QFGTWKNQQDHBEH-UHFFFAOYSA-N 315.329 2.890 0 40 DFAB O=C(O)[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1cccnc1 101740837 GTSKLCDQTQZXMV-HZPDHXFCSA-N 300.333 2.521 0 40 DFAB C[C@H](CCc1ccccc1)N/C=C1/C(=O)NC(=O)c2ccccc21 102114452 AZYUFNCFMUGHEB-QFGUUYLXSA-N 320.392 2.908 0 40 DFAB Cn1nnnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 2649325 DDOOHAZOEIZEBW-UHFFFAOYSA-N 322.393 2.756 0 40 DFAB CC[C@H]1CCCCN1C(=O)COc1ncnc2sccc12 2624767 KRLNTTKBZMKCSH-NSHDSACASA-N 305.403 2.861 0 40 DFAB CCOC(=O)N[C@H](C(=O)NCc1ccc(Cl)cc1)C(C)C 32912141 NMFJKNXIGSFCJS-ZDUSSCGKSA-N 312.797 2.727 0 40 DFAB Cc1cc2ncc(C(=O)N[C@@H]3CCOc4ccccc43)c(C)n2n1 32900412 FKVVXAGREYEUGB-OAHLLOKOSA-N 322.368 2.600 0 40 DFAB CC(C)Oc1cccc([C@H](C)NC(=O)Cn2ccccc2=O)c1 32931243 QLTOBILULLRIDD-AWEZNQCLSA-N 314.385 2.513 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 100395534 BCNNJHDWOXQMDX-KKFZBWNWSA-N 322.408 2.726 0 40 DFAB Cc1nc(-c2ccc(NC(=O)c3cccc[n+]3[O-])cc2)oc1C 54136865 SLKLFDRTGKGWMP-UHFFFAOYSA-N 309.325 2.844 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1ccco1 47245278 IPIXMLTYTBKYEN-UHFFFAOYSA-N 314.370 2.774 0 40 DFAB CCc1ccccc1N1C[C@H](C(=O)NCc2ccco2)CC1=O 22461382 XWPGFRHLEPPNRI-CQSZACIVSA-N 312.369 2.511 0 40 DFAB Cc1noc(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)n1 55872983 YHLHFXQSIZTKFO-UHFFFAOYSA-N 306.753 2.536 0 40 DFAB Cc1noc(C)c1CNc1ccc(S(=O)(=O)NC(C)C)cc1 25703230 PSRTUYLBLGXCPL-UHFFFAOYSA-N 323.418 2.590 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@H]2COc3ccccc3C2)c1 26784256 MLXIXQFBAPFADD-AWEZNQCLSA-N 310.397 2.734 0 40 DFAB CN(C)c1cccc(CNC(=O)Cc2ccc3c(c2)CCO3)c1 58246142 NBWONTWDXCWLCB-UHFFFAOYSA-N 310.397 2.546 0 40 DFAB C[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccncc1 44966085 GEDRXFPCUUOPHW-LBPRGKRZSA-N 311.341 2.529 0 40 DFAB OCCNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386385 DWTXDLKWVGDWCN-UHFFFAOYSA-N 324.171 2.527 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccco1 3229131 PZGJFBBGQLHLKC-XEHSLEBBSA-N 311.337 2.814 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2)C1 58401454 ATTBUHIBYSXQQO-AWEZNQCLSA-N 324.852 2.955 0 40 DFAB CCSc1ccc(NC(=O)NCCCn2ccnc2)cn1 58438973 XLDJJYYTYUBCSQ-UHFFFAOYSA-N 305.407 2.602 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 48020565 YXCQDAPGTCUFDS-LBPRGKRZSA-N 306.362 2.506 0 40 DFAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1C(N)=O 12700919 PQGWFBVOHZWGAO-CSKARUKUSA-N 310.353 2.754 0 40 DFAB Cc1ncc2c(n1)CCN([C@@H](C)C(=O)c1c[nH]c3ccccc13)C2 48261850 BADFJFNPTCGPAT-LBPRGKRZSA-N 320.396 2.896 0 40 DFAB CC(=O)c1ccccc1OCCN1CCO[C@@H]2CCCC[C@@H]21 48264809 JUUHISQANLUENJ-FUHWJXTLSA-N 303.402 2.911 0 40 DFAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 12813274 OBGFVTLUKQIQJG-LLVKDONJSA-N 320.320 2.543 0 40 DFAB CCOC(=O)CCCSc1nc2c3ccccc3ncn2n1 12863366 ZSDCUNMECQVWBK-UHFFFAOYSA-N 316.386 2.713 0 40 DFAB Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)sc2ccccc12 12935736 DSHVVJFUFBEWEV-HNNXBMFYSA-N 323.439 2.517 0 40 DFAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccn1 38681848 YUNXGNYAKVCBIU-UHFFFAOYSA-N 307.353 2.559 0 40 DFAB C[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 4028619 BKZZOCHFQOSGEN-AWEZNQCLSA-N 311.429 2.785 0 40 DFAB biogenic Cc1cc(C)c2c(=O)cc(C(=O)Nc3nnc(C)s3)oc2c1 17042549 IBIBAOQHRDGFKT-UHFFFAOYSA-N 315.354 2.822 0 40 DFAB CNc1snc(C)c1C(=O)OCc1cn2cc(C)ccc2n1 16552816 KVSNDDBQJDUQPH-UHFFFAOYSA-N 316.386 2.806 0 40 DFAB O=S(=O)(NCc1cccnc1)c1c(Cl)cccc1Cl 6623526 INSLSTSNGYVHGU-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 66759224 NMSBKQGHOCJZRX-UHFFFAOYSA-N 322.409 2.707 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2cccc(SC)c2)CC1 69560826 JVLBCFFSBRNDON-UHFFFAOYSA-N 323.418 2.715 0 40 DFAB c1ccc(-c2nnc3ccc(NCc4cccnc4)nn23)cc1 4909573 ODCWKKLCDBMBKS-UHFFFAOYSA-N 302.341 2.798 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H](C)c1cccc(Cl)c1 17366947 WAGHMWTVDXBKDS-SNVBAGLBSA-N 310.806 2.749 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 7053963 UNOMKCYJKLZCPM-UHFFFAOYSA-N 308.334 2.585 0 40 DFAB CC[C@H]1CCCN(C(C)(C)CNC(=O)C2(C)CCOCC2)C1 71896662 QJPIESADKGSCJZ-HNNXBMFYSA-N 310.482 2.820 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 71821192 ZOZGEQPJRRKPKW-IAGOWNOFSA-N 313.401 2.596 0 40 DFAB Cc1occc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 71893720 JVTNWAUHIYCYMU-ZDUSSCGKSA-N 318.760 2.777 0 40 DFAB CC(=O)c1ccc(C(=O)OCCc2c(C)nn(C)c2C)cc1 96008771 GCBAKVVVSQIRQJ-UHFFFAOYSA-N 300.358 2.639 0 40 DFAB COCCn1cc2c(n1)[C@@H](NCc1ccc(F)cc1)CCC2 96002711 XWSNBEXSNVVOGB-INIZCTEOSA-N 303.381 2.836 0 40 DFAB CCN1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O 9338850 ZCGHRGHQSVQPSI-VIFPVBQESA-N 315.192 2.902 0 40 DFAB Cc1cccn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc12 9615194 JCTORPMHVAHKLZ-UHFFFAOYSA-N 313.744 2.909 0 40 DFAB CCC[C@@H](O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C 71911742 NDBHUGDWRPIUKF-CQSZACIVSA-N 316.405 2.772 0 40 DFAB CC(C)c1nnc(CNC(=O)c2cnn(C(C)(C)C)c2)s1 72313759 MXYALZITJBJCCN-UHFFFAOYSA-N 307.423 2.543 0 40 DFAB O=C(NCCc1cn2ccccc2n1)NCC(C1CC1)C1CC1 89878887 RZEJEIAXTVNCBH-UHFFFAOYSA-N 312.417 2.612 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)oc(C)c1C)CC2 89986378 XMZLEHSXILXRLF-CABCVRRESA-N 321.417 2.597 0 40 DFAB NCc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)cc1 95426511 WRXDMHVNAGWEMN-KRWDZBQOSA-N 310.397 2.829 0 40 DFAB C[C@H](NCc1nncn1C)c1cc(Br)ccc1F 95420208 ORDJCFINMFUKLH-QMMMGPOBSA-N 313.174 2.568 0 40 DFAB O=C(N[C@H]1CC=CCC1)c1cc(N2CCNC2=O)ccc1Cl 76041513 NDCGYFHHZVQEDJ-NSHDSACASA-N 319.792 2.708 0 40 DFAB C[C@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1 85457735 QDWDTWURSBRCJV-IYBDPMFKSA-N 308.466 2.883 0 40 DFAB COc1ccccc1CN(C)C(=O)NCc1c(C)noc1C 95955190 RVTGTZQWIPZSFQ-UHFFFAOYSA-N 303.362 2.642 0 40 DFAB CCCn1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 28240895 NZHVWUVVLZFCRO-GFCCVEGCSA-N 317.389 2.801 0 40 DFAB COC(=O)c1c(C)ccc(F)c1NC(=O)c1cncc(F)c1 95965757 ADXYHEHHJGBXPX-UHFFFAOYSA-N 306.268 2.707 0 40 DFAB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccon1 89361200 BNFLJJMIMICYRD-UHFFFAOYSA-N 300.236 2.845 0 40 DFAB Cc1ccc(CNC(=O)NCC(=O)N2CCCCCCC2)cc1 9958154 MHLHCPNHIJXJAB-UHFFFAOYSA-N 317.433 2.587 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@H]1CCC[C@H]1O 78951767 CZKCQCKJFBSWHS-BXUZGUMPSA-N 304.415 2.862 0 40 DFAB Cc1nc(C)c(CNC(=O)Nc2cccc([S@](C)=O)c2)s1 78937437 HKOZXPKLVVONFP-OAQYLSRUSA-N 323.443 2.819 0 40 DFAB CC(C)C[C@@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccn1 79109673 NCBQLDMLCOVKQM-OAHLLOKOSA-N 300.358 2.725 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(C2CC2)n1 79474302 MLHJCTWCFBIMIN-UHFFFAOYSA-N 323.356 2.908 0 40 DFAB O=C(NCC1CC1)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306145033 ZVSFWXLBKYKTKI-CYBMUJFWSA-N 313.376 2.847 0 40 DFAB CC[C@]1(C)CN(C(=O)NCCc2sc(C)nc2C)CCO1 188024064 USNQVDYEGNPUFN-OAHLLOKOSA-N 311.451 2.513 0 40 DFAB CC(C)c1ncc2c(n1)CCN([C@@H]1Cc3ccccc3[C@@H]1O)C2 527618261 CCKOYAQIOKAREK-MSOLQXFVSA-N 309.413 2.616 0 40 DFAB COC(=O)c1[nH]nc(-c2ccc(F)cc2F)c1Br 38478434 YCGQJXKURODWNV-UHFFFAOYSA-N 317.089 2.904 0 40 DFAB CC1(C)COCCN1C(=O)CCCC(=O)c1ccc(F)cc1 40656230 SWLGNNODWWIYRI-UHFFFAOYSA-N 307.365 2.816 0 40 DFAB O=S(=O)(c1ccc(NC2CCC(O)CC2)cc1)C(F)(F)F 32809711 JSGBPRBQYFNANC-UHFFFAOYSA-N 323.336 2.696 0 40 DFAB O=C(Nc1cc(C2CCCC2)[nH]n1)c1[nH]ncc1Br 77022056 GJONSHABQKZFPZ-UHFFFAOYSA-N 324.182 2.805 0 40 DFAB c1cc(NCc2nnc(C3CC3)n2C2CC2)c2c(c1)OCCO2 180958126 ICBGOXATHKNWIZ-UHFFFAOYSA-N 312.373 2.874 0 40 DFAB O=C(O)c1c(C(F)(F)F)nc2ccc(Br)cn12 74536174 INTMPAQBPBWBSN-UHFFFAOYSA-N 309.041 2.814 0 40 DFAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCc2[nH]ncc2C1 79044509 NTMHQTUVKQSUGE-VIFPVBQESA-N 323.755 2.554 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)(C)C 223058141 UUUKLBKAVXDXJQ-ZDUSSCGKSA-N 320.433 2.737 0 40 DFAB C[C@H]1CCn2ncc(C(=O)N3CCc4cc(F)c(F)cc43)c2C1 570684279 AUSMIXNXOISHPO-JTQLQIEISA-N 317.339 2.947 0 40 DFAB CC(C)C[C@H](NC(=O)CCCc1ccccc1)C(=O)N(C)C 41168751 JYWBSDIYXUDDKL-INIZCTEOSA-N 304.434 2.628 0 40 DFAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1C 224672404 QRHDXPBDDXBZSC-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB C[C@@H](CNC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccncc1 88608238 KIMGQFQPXUNJJL-KSSFIOAISA-N 319.449 2.816 0 40 DFAB C[C@H](CNCc1cc[nH]n1)Oc1ccccc1Br 96452781 YUYBBLWDAHXLSK-SNVBAGLBSA-N 310.195 2.729 0 40 DFAB O=C(c1cccnc1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109365 XDCLNVQBCVPRAI-APWZRJJASA-N 323.396 2.798 0 40 DFAB O=S1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 96429409 URQNDCRCPFPZDC-UHFFFAOYSA-N 320.361 2.884 0 40 DFAB Cc1ccccc1C1(O)CCN(c2ncc(Cl)cn2)CC1 96449413 KEXDSUDAFQDUGW-UHFFFAOYSA-N 303.793 2.926 0 40 DFAB CC1(C)CCCC[C@H]1NC(=O)N1CCCN(C(=O)C2CC2)CC1 97103127 WGOBIETZWIEWSV-OAHLLOKOSA-N 321.465 2.609 0 40 DFAB CSC1=NCCN1C(=O)c1cc(C)n(-c2cc(C)on2)c1C 96454394 QXOUNFFWRUKSEM-UHFFFAOYSA-N 318.402 2.565 0 40 DFAB O=C(c1cnc[nH]1)N1CC(OCc2cccc3ccccc23)C1 96449938 XENPDNCNQWGHAW-UHFFFAOYSA-N 307.353 2.604 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCS1 96493241 YQJQJQBNPVMKAP-OAHLLOKOSA-N 322.474 2.865 0 40 DFAB C[C@@H]1CC(C)(C)CC[C@H]1NCCn1c(=O)oc2cccnc21 97099798 ZSUCNBOEPOQSES-CHWSQXEVSA-N 303.406 2.794 0 40 DFAB CSC(C)(C)CNC(=O)Nc1cccc([S@@](C)=O)c1 96434876 YOIXHZANMFHUFQ-IBGZPJMESA-N 300.449 2.687 0 40 DFAB C[C@@H](CN(C)S(=O)(=O)CC[C@H]1CCCO1)c1ccccc1 245338822 OSDCDJZNWLSPSJ-GOEBONIOSA-N 311.447 2.621 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 253389185 ORHJDSIVSXDPLJ-RBOXIYTFSA-N 306.381 2.650 0 40 DFAB CN(C(=O)c1ccsc1)[C@@H]1CCCN(c2ccccn2)C1 257275849 NRFCXCCPQNIICZ-CQSZACIVSA-N 301.415 2.884 0 40 DFAB CCCn1cc(C(=O)N2CCC[C@]2(C)c2nccc(C)n2)cn1 257271722 MZNNLCPVBIQBSP-QGZVFWFLSA-N 313.405 2.543 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2cccnc2NC)nc(C)n1 257341400 ZKDUZDNHNLOLOP-OAHLLOKOSA-N 312.421 2.601 0 40 DFAB Cc1cccc(N2CCC[C@H](NC(=O)CCc3cccnc3)C2)n1 257237687 HHPZSZBBFLETDF-KRWDZBQOSA-N 324.428 2.503 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)ccn1 257234638 GUMKLTQRUHVQLJ-KRWDZBQOSA-N 314.360 2.672 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C[C@@H]1n1ccnc1 268410347 YIMDDGIWDBVRMQ-RISCZKNCSA-N 304.781 2.655 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCC2=O)cc1 260492810 WNUFBUUFXVZMCX-XIRDDKMYSA-N 312.413 2.727 0 40 DFAB COCCN(CCOC)c1ccc(Br)c(F)c1 95915902 SJFMQDJBKYRAKL-UHFFFAOYSA-N 306.175 2.687 0 40 DFAB COc1cccc([C@H](CNC(=O)Cc2ccc(F)cc2)OC)c1 96389793 ZCMHHEXDWRJRSH-KRWDZBQOSA-N 317.360 2.881 0 40 DFAB COc1ccc(CN2CCC(NC(=O)NC(C)C)CC2)cc1F 55329555 CZTGBZCJNHKUGJ-UHFFFAOYSA-N 323.412 2.506 0 40 DFAB CC(C)(CNC(=O)CNC(=O)C1CCCC1)c1ccccc1F 58343321 LFVIWXUWLMJPKS-UHFFFAOYSA-N 320.408 2.526 0 40 DFAB Cc1ccccc1OCCNC(=O)Cc1noc2ccccc12 55954884 DKLMYHLAAIXFSA-UHFFFAOYSA-N 310.353 2.874 0 40 DFAB COc1ccc(C2CCN(CC(=O)NC3CCCC3)CC2)cc1 12113928 UBXSCHBDHBKSES-UHFFFAOYSA-N 316.445 2.933 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCCN(C2CCC2)CC1 827939370 YYZYFGWUJPYKAX-UHFFFAOYSA-N 306.837 2.969 0 40 DFAB Cc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cc1F 1888849905 JNLFQFKKZGFNSO-GASCZTMLSA-N 302.393 2.690 0 40 DFAB Cc1ccc(OCCNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13682971 IITYMCVNOBOBLC-UHFFFAOYSA-N 322.364 2.645 0 40 DFAB Clc1cnn(CC2CN(c3cc(C4CCC4)ncn3)C2)c1 1889083362 QXBFCSQMSHLZJX-UHFFFAOYSA-N 303.797 2.730 0 40 DFAB CCCc1nnc(S)n1CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 23432440 NYUYOMQNFYLHSS-QWHCGFSZSA-N 322.478 2.558 0 40 DFAB Oc1cc([C@@H]2CCCCN2Cc2cncs2)nc2nccn12 2037716146 HSFCPXRRMYRYJE-ZDUSSCGKSA-N 315.402 2.619 0 40 DFAB COC(=O)[C@@](O)(c1ccc(O)c(C(C)(C)C)c1)C(F)(F)F 2066521 RHYBIBURDLRRSL-ZDUSSCGKSA-N 306.280 2.613 0 40 DFAB CCc1nnc(C2CCN(c3ncnc(CC)c3F)CC2)s1 2086861200 STHKZMPFUCJWMZ-UHFFFAOYSA-N 321.425 2.976 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2ncnc3ccccc23)CC1 1057868248 UILZHYOFVIPNNP-UHFFFAOYSA-N 312.417 2.761 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@H](c1ccco1)n1cccn1 575614161 OUZPRFKJHOSJRL-OAHLLOKOSA-N 313.332 2.564 0 40 DFAB c1ccc(Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)nc1 96124531 BVAWUYGLDTTXPQ-UHFFFAOYSA-N 321.369 2.924 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1ccccn1)c1ccc(Cl)cc1 40033549 KZXMHGIICRCQAQ-CQSZACIVSA-N 317.776 2.941 0 40 DFAB Cc1ccccc1NC(=O)C[C@H](NCc1ccccc1)C(=O)O 195881 OAXVMXHRCPKDIC-INIZCTEOSA-N 312.369 2.567 0 40 DFAB CC(C)[C@@H](OC(=O)c1ccco1)C(=O)NCc1cccs1 1380998 JVQCTIMOXVYHNZ-CYBMUJFWSA-N 307.371 2.839 0 40 DFAB NC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40485135 OKAPAJGMDQGNMG-SNVBAGLBSA-N 315.295 2.592 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(Br)o1 2782259 ZIPOEDCKWMXYFQ-ZETCQYMHSA-N 312.167 2.575 0 40 DFAB CCOc1ccc(CN(C)C(=O)c2snnc2CC)cc1 40464647 LABUAGKWBGRHMR-UHFFFAOYSA-N 305.403 2.771 0 40 DFAB O=C(CCc1ccsc1)Nc1cccc(N2CCNC2=O)c1 40535237 DUSBXENAPMONQP-UHFFFAOYSA-N 315.398 2.849 0 40 DFAB COc1ccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1OC 31773323 PFTRCPAQKAGYBS-UHFFFAOYSA-N 312.325 2.869 0 40 DFAB CCOc1ccc(OCC)c(Nc2cc(C)nc3ncnn23)c1 4822540 KBGQEPGZDLMWAD-UHFFFAOYSA-N 313.361 2.974 0 40 DFAB CC(=O)Oc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 249664 PBXVJJHYCFXDQV-UHFFFAOYSA-N 305.359 2.839 0 40 DFAB Cc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c1O 4922969 UHIQEUHYXIHGDW-CYBMUJFWSA-N 313.353 2.562 0 40 DFAB CCCc1nc(CNC(=O)c2ccc(Br)cc2)no1 6204946 LWCPJMFVHIULBK-UHFFFAOYSA-N 324.178 2.715 0 40 DFAB CC(C)CCNC(=O)C(=O)Nc1cccc(Br)c1 6325565 CXJJOWZFETZFCR-UHFFFAOYSA-N 313.195 2.550 0 40 DFAB CC(C)(C)c1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)n1 6726949 FRZPHMYLDRVIAB-DMWPJOQESA-N 320.414 2.902 0 40 DFAB CCSc1ccccc1C(=O)N1CCC(C(=O)OC)CC1 7068855 RIEFCUAJACIHBM-UHFFFAOYSA-N 307.415 2.824 0 40 DFAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(OCC)c1 8477697 RPJWXCJRYOIQLR-GFCCVEGCSA-N 315.435 2.951 0 40 DFAB CCN(CC)C(=O)N[C@H](c1ccccc1OC)c1nccn1C 54009287 YZLVROXGPNZEMJ-OAHLLOKOSA-N 316.405 2.570 0 40 DFAB O=C(c1ccc(Cl)nc1)N1CCN(Cc2ccccc2)CC1 21554866 OCHBVKLEMQBMGE-UHFFFAOYSA-N 315.804 2.693 0 40 DFAB CCCn1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 9142076 FSCIMQAUQQKWCC-UHFFFAOYSA-N 323.784 2.533 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCCc1cc(Br)ccc1F 68514328 UFGGSXSLUTZHRJ-GZMMTYOYSA-N 300.171 2.903 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C(C)C 21933949 OTFXTWJWPNQXIV-UGSOOPFHSA-N 316.445 2.903 0 40 DFAB CCCC(C)(C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102954583 KZZYONFZGUKGSR-UHFFFAOYSA-N 319.430 2.531 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(O)c(Cl)c1 29800466 HAJBSNLFJUBZAN-GFCCVEGCSA-N 305.765 2.587 0 40 DFAB COc1ccc(C(=O)NCCOc2cccc(C)c2)cc1OC 21785100 CLWKXWOALDCJEW-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB O=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3ccco3)nn12 2703587 VIFQSYHIMVVSQY-NDUUIVGLSA-N 321.361 2.624 0 40 DFAB COc1ccc2c(CC(=O)/N=c3/sccn3C)coc2c1 104999831 HCRJYXSFGUTSHS-FOCLMDBBSA-N 302.355 2.511 0 40 DFAB O=C(O)C1=C[C@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 12391478 CJXMTIIGZLUUAB-OAHLLOKOSA-N 318.336 2.929 0 40 DFAB C/C(=C\C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 55067943 CTBJYBXFNKFLES-IIANPFDCSA-N 307.415 2.624 0 40 DFAB COc1ccc(CC(=O)Nc2cc(-c3ccccn3)no2)cc1 65152781 KEGUTNXPPUFJNC-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)NCc1ccc(F)cc1F 51356488 XPOCKNHIAXRDGS-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB CN(C)C(=O)CCNC(=O)Nc1ccccc1OC1CCCC1 47600783 IFBCVYDKDXLMET-UHFFFAOYSA-N 319.405 2.608 0 40 DFAB CC[C@H]1CN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCO1 106558480 ZEBXEXVCLAGCRK-PWSUYJOCSA-N 321.446 2.773 0 40 DFAB COc1ccc(-n2ncc(N3CCCCC3)c(Cl)c2=O)cc1 1404469 BMJHAYWBQLHCDL-UHFFFAOYSA-N 319.792 2.885 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1 25643434 IFGOIZMPRIXJLH-ZDUSSCGKSA-N 303.333 2.788 0 40 DFAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55946361 DMOXIPOLSGJKJD-ZMSDIMECSA-N 307.365 2.731 0 40 DFAB COc1cccc(CCN[C@H](C(=O)NC2CC2)c2ccccc2)c1 56158849 SIHFAIPXWJQRGL-IBGZPJMESA-N 324.424 2.847 0 40 DFAB C[C@H](Cn1ccnc1)NCc1ccc(F)c(Br)c1 35275088 DFTPGAVRZAXNFW-SNVBAGLBSA-N 312.186 2.963 0 40 DFAB CCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 1809663 JFMKCYCBTYCPLL-UHFFFAOYSA-N 324.450 2.504 0 40 DFAB NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 3248551 FAIXVZJPUBOCRF-UHFFFAOYSA-N 306.321 2.544 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1F 3238781 IJHSVTMRGZNXRU-UHFFFAOYSA-N 320.345 2.738 0 40 DFAB CCCNc1nnc(SCC(=O)N2CCCCCC2)s1 58208418 LXEGWUAVSRJWJH-UHFFFAOYSA-N 314.480 2.855 0 40 DFAB CC(C)CCO[C@H](C)C(=O)NCc1ccccc1CN(C)C 58343920 HIGWBMTWRLMKKY-OAHLLOKOSA-N 306.450 2.816 0 40 DFAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(n2cncn2)CC1 58329226 LOWRHBAIFVNZPW-UHFFFAOYSA-N 321.384 2.546 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)CN[C@@H](c1ccoc1)CO2 306145736 OVRQVSRTSKIZRV-CQSZACIVSA-N 322.405 2.710 0 40 DFAB Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC1CCCCC1 58406194 OMRRLNLOZIYDMZ-UHFFFAOYSA-N 314.389 2.928 0 40 DFAB CC(C)[C@H](C(=O)N[C@H](C)C1CC1)N1CCc2ccccc2C1 48290707 SDPVAZFLPDCUBI-RDTXWAMCSA-N 300.446 2.984 0 40 DFAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(N)=O 3483923 XFHLBHVKADHXGM-LBPRGKRZSA-N 324.409 2.900 0 40 DFAB O=C1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)c2ccccc2N1 12919538 CENLDNJXBUDLMB-HOCLYGCPSA-N 322.364 2.752 0 40 DFAB C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@@H]2CCCCN2C3)NC1 4081270 YUKCLPPRYNXRAF-JWLCQNFESA-N 317.521 2.761 0 40 DFAB biogenic Clc1cccc(-n2nnnc2SCCN2CCCCC2)c1 8232854 JHXGTULQAAFVJX-UHFFFAOYSA-N 323.853 2.894 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)C[C@@H](C)O1 69200866 GUGSOXJXFLEGRL-ZIAGYGMSSA-N 314.389 2.573 0 40 DFAB CSc1ccc(C)c(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 69452027 XNPGUGOOEGSJSR-CYBMUJFWSA-N 304.459 2.931 0 40 DFAB C/C=C/C=C/C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69462549 BYQIEHQJDRFFTI-BNGYNILWSA-N 300.402 2.770 0 40 DFAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCO3)o1 39972302 YTSDDLHZXAIRCN-NSHDSACASA-N 307.371 2.562 0 40 DFAB Cc1nnc2n1CCN(CCOc1ccc(C(C)(C)C)cc1)C2 69561512 PZUGDABJBXWJTR-UHFFFAOYSA-N 314.433 2.779 0 40 DFAB COc1ccccc1[C@H](C)NCC(=O)NCc1ccc(F)cc1 14141815 FEVMAQVBGAIIST-ZDUSSCGKSA-N 316.376 2.801 0 40 DFAB CC[C@H](Nc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1 8780271 SANSLDAZOMRAMX-AWEZNQCLSA-N 316.361 2.771 0 40 DFAB Cc1ccc(CCC(=O)N2CCC(Nc3cccnn3)CC2)cc1 69662409 ICLHLHRQBFCTSZ-UHFFFAOYSA-N 324.428 2.821 0 40 DFAB COCCNc1nc2sc3c(c2c2ncnn12)[C@H](C)CCC3 5576927 ZGCVULJABGYMTL-SECBINFHSA-N 317.418 2.837 0 40 DFAB COc1ccc(OCc2nnc(S)n2Cc2ccco2)cc1 6678699 JWEQEZQZUGSODU-UHFFFAOYSA-N 317.370 2.796 0 40 DFAB O=c1cc(CN2CCC[C@@H](c3ccccc3)CC2)[nH]c2ccnn12 66498215 GDNPSIJHQFXRHI-MRXNPFEDSA-N 322.412 2.792 0 40 DFAB CC(C)(C)OC(=O)CSc1nnc2[nH]c3ccccc3n12 6906193 QQFQGMFDIOURQF-UHFFFAOYSA-N 304.375 2.644 0 40 DFAB CCOc1ccc(N[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1 7460475 AEUXNQQJTKFMRW-JTQLQIEISA-N 320.418 2.938 0 40 DFAB CC(C)CCNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 19198408 QGWQJEXCAPUULV-UHFFFAOYSA-N 310.781 2.800 0 40 DFAB CCSc1nnc(NC(=O)Cc2noc3ccccc23)s1 19199489 ZQZXMGVWYSHCJV-UHFFFAOYSA-N 320.399 2.973 0 40 DFAB O=C(NCc1ccccc1COc1ccccc1)c1cnccn1 9156108 KJGAVYULJUUUGT-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB C[C@H](C(=O)NCC1(O)CCC(C(C)(C)C)CC1)n1ccnc1 71898085 LZEFDXWQRFMVEW-TUBUQKNSSA-N 307.438 2.528 0 40 DFAB CCNc1cc(C(=O)Nc2ccc(OCCOC)cc2)ccn1 75092767 BIUSYSPJCKOWDY-UHFFFAOYSA-N 315.373 2.791 0 40 DFAB O=C(CCc1cccnc1)Nc1ccc2c(c1)OC(F)(F)O2 23767090 ARWHONCSTZXTSX-UHFFFAOYSA-N 306.268 2.974 0 40 DFAB C[C@H](c1cccs1)N(C)CC(=O)NC(=O)NC1CCCCC1 9494284 ZKZPGSHBIIWCBF-GFCCVEGCSA-N 323.462 2.899 0 40 DFAB Cc1cccn2cc(C[S@@](=O)Cc3noc(C(C)C)n3)nc12 83953088 JUZLKBDOQYJEOC-QFIPXVFZSA-N 318.402 2.598 0 40 DFAB Cc1ccccc1Cc1noc(COc2c(C)nn(C)c2C)n1 89690434 ZVPOIQZVVGUURK-UHFFFAOYSA-N 312.373 2.898 0 40 DFAB O=C(NCC(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1 9894905 MPOGCXAXBYNWLJ-QGZVFWFLSA-N 308.381 2.780 0 40 DFAB CC[C@H](c1ccccc1)[C@H]1CCCN1c1ccc2nnnn2n1 72277135 YBDBFKAQYGNNPI-HUUCEWRRSA-N 308.389 2.682 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 89938536 SMUYUZYPXAEKNV-CQSZACIVSA-N 311.385 2.650 0 40 DFAB Clc1cc(CN2CCn3ccnc3C2)cc2c1OCCCO2 97201564 IANMINADFRKGNB-UHFFFAOYSA-N 319.792 2.714 0 40 DFAB C[C@H](Nc1ccn(CC(F)(F)F)n1)c1nc(C2CC2)no1 97236754 NRCZOONZUVPZEN-ZETCQYMHSA-N 301.272 2.879 0 40 DFAB Cc1nc[nH]c1[C@@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 76065180 HYPXVLOKSKTSRP-QGZVFWFLSA-N 319.368 2.880 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@@H](CO)c2ccccc2)CC1 95422545 ODBDTSDAIZKIKE-KRWDZBQOSA-N 318.461 2.737 0 40 DFAB NC(=O)[C@@H]1CCCN1Cc1ccccc1NCc1ccsc1 95428970 SATQFKRCQXYIOQ-INIZCTEOSA-N 315.442 2.810 0 40 DFAB C[C@@H](O)CCN(C)C(=O)NCCc1csc2ccccc12 95426877 OGWQQKOOYPJPKZ-GFCCVEGCSA-N 306.431 2.856 0 40 DFAB CC(C)c1ccc(CCC(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 78968391 CCESFPDLLFHHAO-MRXNPFEDSA-N 304.434 2.759 0 40 DFAB O=C(NCCc1cccc2ccccc12)[C@H]1CC(=O)N(C2CC2)C1 73955902 FWLOVXYSSCNTJE-INIZCTEOSA-N 322.408 2.509 0 40 DFAB CSc1ccsc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 95977760 UKIYWEVXCVTTEZ-YPMHNXCESA-N 305.424 2.858 0 40 DFAB COCCn1ccc2c(C(=O)Nc3nccs3)cccc21 79495494 LPSCYFRGNHEGLP-UHFFFAOYSA-N 301.371 2.997 0 40 DFAB CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)NC1=S 409005046 CYSOAHKPXFMYSY-WTKPLQERSA-N 317.197 2.777 0 40 DFAB COc1coc(C(=O)Nc2cccc(Br)c2)cc1=O 38516609 MUBSMDJQMNJKOF-UHFFFAOYSA-N 324.130 2.663 0 40 DFAB Cn1cc(CCOc2ccc3c(c2)OC(C)(C)CC3=O)cn1 77239213 UNWHFSSTQNLVIS-UHFFFAOYSA-N 300.358 2.785 0 40 DFAB COCCNC(=O)c1ccc(COc2cc(C)ccc2C)o1 32610806 PXQAWIPVJYEFOQ-UHFFFAOYSA-N 303.358 2.852 0 40 DFAB CNC(=O)c1cnc(/C=C/c2nccn2Cc2ccccc2)s1 79350789 NXMXMHXMLQCMIN-BQYQJAHWSA-N 324.409 2.918 0 40 DFAB CC(C)N(Cc1ccccc1)C1CCC(NC(=O)[C@H](C)N)CC1 79415576 NWVYPSHAWJEVKR-ZLPCBKJTSA-N 317.477 2.672 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)c(F)c2)no1 44874248 DBUAKTXCTXCCLU-ZJUUUORDSA-N 309.316 2.939 0 40 DFAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2CCO)n1 72376762 RXIQDHAHFJOVDT-CQSZACIVSA-N 318.808 2.508 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Cc1cccc(F)c1 75400775 WRDMUAVOSQDJBC-UHFFFAOYSA-N 322.409 2.562 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1F 223742847 OLIZZXSRUFLPNH-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB CCCOCc1cc(C(=O)N[C@H](C)COC)ccc1OCC 224711726 UQRSAIZDOXQTLK-CYBMUJFWSA-N 309.406 2.777 0 40 DFAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)C=C(c1ccccc1)O2 226761822 MXWMDUGNYYVRRZ-CQSZACIVSA-N 318.332 2.629 0 40 DFAB Cc1csc([C@@H]2COCCN2C(=O)N[C@H](C)C2CCC2)n1 195571397 AEUWAXOXLZINLF-YPMHNXCESA-N 309.435 2.723 0 40 DFAB CCOC1(C(=O)NCc2ccc(CN(C)C)cc2)CCCC1 225491937 RMJGNTLJENSSHX-UHFFFAOYSA-N 304.434 2.714 0 40 DFAB CCCCc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 198348848 DILTWHBJCHAOEV-UHFFFAOYSA-N 302.374 2.507 0 40 DFAB Cc1cc(NCC[C@@H](O)c2ccccc2Cl)n2ncnc2n1 223479106 LMTVTRHAIWQVSQ-CYBMUJFWSA-N 317.780 2.622 0 40 DFAB CCOc1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC 80344502 OAALMCBNNUZCJQ-ZIAGYGMSSA-N 317.385 2.769 0 40 DFAB c1ccc(-c2nc(N3CC[C@H](OCc4ccncc4)C3)no2)cc1 192901533 UEUYRRHENBMMMW-INIZCTEOSA-N 322.368 2.927 0 40 DFAB Cc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)c(C)c1 224148984 YXZAIUIFHGOBAO-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB CCC(CC)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 193139607 XGNNVVWTDFBSGV-DLBZAZTESA-N 305.418 2.774 0 40 DFAB C[C@@H](NCc1nc(C2CC2)no1)c1cccc(-n2cccn2)c1 96491839 UMHAOORMTKJQMR-GFCCVEGCSA-N 309.373 2.984 0 40 DFAB Cc1nc(CN2CC[C@H]3[C@@H](CC2)OCCN3CC2CC2)cs1 96249307 HAPMRTRXUGUEQB-DLBZAZTESA-N 321.490 2.527 0 40 DFAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1Cc1ccncc1 96047542 GRHYWYQMVLJDKD-LJQANCHMSA-N 313.445 2.839 0 40 DFAB CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NC1CC1 96413168 ZECFSRPVYCFGTF-QWHCGFSZSA-N 306.362 2.529 0 40 DFAB CS(=O)(=O)NCc1ccc(NC(=O)CC2=CCCCC2)cc1 96410233 KKMUVBFUUZBHKC-UHFFFAOYSA-N 322.430 2.565 0 40 DFAB Cc1nc(C)c(Cn2c(NC[C@@H](C)O)nc3ccccc32)s1 96428798 WHZPVPSEUOMMGQ-SNVBAGLBSA-N 316.430 2.951 0 40 DFAB COc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1 96455483 CVGSGNCYLSJMFK-CQSZACIVSA-N 322.836 2.935 0 40 DFAB Nc1ccc([S@@](=O)(O)=Nc2cnc3ccccc3n2)cc1 98044946 ICXXDWQQERMEHQ-UHFFFAOYSA-N 300.343 2.844 0 40 DFAB COc1ccc(C[C@@H]2CN(C(=O)c3ccccc3)CCO2)cc1 257273431 NGNXHDGUUDMFPA-GOSISDBHSA-N 311.381 2.779 0 40 DFAB CC(C)CN1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257231797 GIGOXCILEHEGOW-HNNXBMFYSA-N 313.405 2.645 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C 257221201 DNYGKZSVGWECNS-HNNXBMFYSA-N 315.421 2.744 0 40 DFAB CC(=O)Nc1ccc2cc(-n3cc(Cl)cn3)c(=O)oc2c1 255190497 XOQDAIDFNMGEGY-UHFFFAOYSA-N 303.705 2.591 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)ccn1 257253173 JXVIDLMJKYLSFF-OAHLLOKOSA-N 321.384 2.977 0 40 DFAB Cc1ccccc1OCC(=O)N1CCC[C@]2(C)NCCCC[C@H]12 257289362 PYHAAQNBOKUOKI-HKUYNNGSSA-N 316.445 2.897 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)n1 257302449 SCZLLXJPMPCWLP-HNNXBMFYSA-N 313.376 2.873 0 40 DFAB COCC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2cccn2C1 585095036 ATMMXBNXCOHFKC-OAHLLOKOSA-N 313.401 2.500 0 40 DFAB CN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)C(C1CC1)C1CC1 50400837 PVRRBJRTIADIEG-MRXNPFEDSA-N 316.376 2.966 0 40 DFAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccsc2)n(C)n1 46089401 UWJABJIVAMEULQ-CYBMUJFWSA-N 304.419 2.566 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)Cc1cccc(F)c1 47174766 GKZJOOUWZIIRJN-UHFFFAOYSA-N 310.332 2.896 0 40 DFAB Cc1cc(C)n(CCC(=O)NCc2csc(C(C)C)n2)n1 65591850 NNXFCXSTJCZMHD-UHFFFAOYSA-N 306.435 2.786 0 40 DFAB Cc1ccc(C(=O)N2CCC(c3nncn3C)CC2)cc1Cl 69368609 RQOLBCYAIZACHA-UHFFFAOYSA-N 318.808 2.797 0 40 DFAB O=C(O)CCCNC(=O)CCc1ccc(Cl)cc1Cl 37434156 BCVFALKTFHPJRI-UHFFFAOYSA-N 304.173 2.907 0 40 DFAB C[C@H](Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1ccccc1 97095005 KGBFDQRKGFKAPQ-JTQLQIEISA-N 312.295 2.885 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CC[C@@](O)(C(F)(F)F)C1 98013090 YHSPBFQHABZWQB-NSHDSACASA-N 311.662 2.618 0 40 DFAB Cc1cc(NCCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1 5000313 SDNOFBZKORDZDV-UHFFFAOYSA-N 314.364 2.947 0 40 DFAB O=c1[nH]c2ccccc2c(O)c1C1=NN[C@@H](c2ccccc2)C1 5387609 WLQHIKFKXOGHCK-CQSZACIVSA-N 305.337 2.672 0 40 DFAB CC[C@H](C)NC(=O)Cn1c(C2CCOCC2)cc2cccnc21 12222085 XIFSSLUWADEWGO-ZDUSSCGKSA-N 315.417 2.845 0 40 DFAB CCOC(=O)CC(=O)CSc1ncnc2sc(C)cc12 14076114 RZWGYDDRRMQZFK-UHFFFAOYSA-N 310.400 2.614 0 40 DFAB Cc1nn(C)cc1-c1cncn1C[C@H](C)N1CCC(C)CC1 19719487 CATPFJWICZSCIO-AWEZNQCLSA-N 301.438 2.712 0 40 DFAB Cc1ccc(N2C[C@@H](CNC(=O)C3CCCC3)CC2=O)cc1 8985165 HCRKTLVKTUKRLX-CQSZACIVSA-N 300.402 2.654 0 40 DFAB CCCn1nccc1C(=O)Nc1cccc([C@H](C)C(=O)O)c1 568534686 UNFZCHFOKLIRDP-NSHDSACASA-N 301.346 2.734 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056223749 DGAGMACJHTYOOK-ZIAGYGMSSA-N 308.491 2.605 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851954 COGXISBJNRGTEF-LLVKDONJSA-N 324.336 2.938 0 40 DFAB O=C(/C=C/c1ccco1)N[C@@H]1CCN(Cc2ccsc2)C1 618255941 ATBPJKKRIVLJGQ-RDFMZFSFSA-N 302.399 2.745 0 40 DFAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C)CC1 20001147 PZVXUQZMTUDNLD-MRXNPFEDSA-N 323.440 2.928 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1 52648 XLLHQJSHIYSQFD-UHFFFAOYSA-N 323.321 2.666 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1O 324882 HCGTUWMIHDHCJN-HNNXBMFYSA-N 301.298 2.691 0 40 DFAB CNC(=O)NC(=O)CCSCCCOc1cc(C)ccc1C 69349206 FHLNESVQBGKNHR-UHFFFAOYSA-N 324.446 2.651 0 40 DFAB O=C(COc1nnc2ccccn12)Nc1ccc(Cl)cc1F 8224880 MPXTWFCFRAOFQT-UHFFFAOYSA-N 320.711 2.539 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC(C)CC2)c1C 3210433 WXBVHGULLGPURO-UHFFFAOYSA-N 306.406 2.723 0 40 DFAB CC(=O)N1CCN(c2nc3c(C)ccc(Cl)c3s2)CC1 4583554 RXTNFIIISCJDET-UHFFFAOYSA-N 309.822 2.927 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)nc1 69348866 MLUFWSVSXDSKIP-CYBMUJFWSA-N 300.358 2.655 0 40 DFAB COc1ccc([C@H]2SC=C3Sc4nnc(C)n4N32)cc1 20734120 YMKSZMANWCAXNT-GFCCVEGCSA-N 304.400 2.883 0 40 DFAB CCN1CCCC[C@@H]1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 96417159 IXEAFVDBFBDVRH-IAGOWNOFSA-N 318.417 2.667 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 32585672 PKWYVNKGQFWVHP-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CCOC(=O)N1CCC(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 58493651 UBBDROKFDQQUNC-HUUCEWRRSA-N 322.449 2.962 0 40 DFAB NC(=O)c1cc(-c2csc(NCc3ccco3)n2)ccc1O 21474054 TWJSOTGMUUAEJZ-UHFFFAOYSA-N 315.354 2.820 0 40 DFAB CC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 32802039 VQHSPTJQONKDFV-NSHDSACASA-N 310.806 2.964 0 40 DFAB COc1ccc(F)c(C(=O)Nc2nnc(C3CC3)s2)c1F 89435023 HFQOIYQFMCAITC-UHFFFAOYSA-N 311.313 2.955 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 21694225 DATXJAUURFKUKK-UHFFFAOYSA-N 324.789 2.781 0 40 DFAB COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 9209185 XURIMHLJCLFWLQ-UHFFFAOYSA-N 309.325 2.578 0 40 DFAB COC(=O)c1ccccc1-n1c(=S)[nH]c2ccsc2c1=O 102738442 RYVNMPAZSSICKH-UHFFFAOYSA-N 318.379 2.896 0 40 DFAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCOCC1 21822397 YGFWYLACLRKLND-SECBINFHSA-N 303.189 2.653 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1 46374105 GBTKTWPZIALKGR-LSDHHAIUSA-N 320.437 2.704 0 40 DFAB Cc1ccc([C@H](C)N(C)CCCN2C(=O)NC(C)(C)C2=O)s1 53214004 OBQHPEMVJGCLBB-LBPRGKRZSA-N 323.462 2.770 0 40 DFAB O=C(NCCc1nc2cc(F)ccc2[nH]1)C(Cl)(Cl)Cl 12081073 ZSOVFJXKPQFIRV-UHFFFAOYSA-N 324.570 2.731 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)c1 22514116 HBBCRWOGZHUXLJ-UHFFFAOYSA-N 313.810 2.800 0 40 DFAB C[C@@H](OC(=O)c1ccccc1)C(=O)N1CCc2sccc2C1 22562326 DVDSZFIOQRWGCR-GFCCVEGCSA-N 315.394 2.878 0 40 DFAB NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 798544 CTJLVLGGZRLZTF-UHFFFAOYSA-N 308.381 2.691 0 40 DFAB CN(C)C1(CNC(=O)COc2ccc3c(c2)CCC3)CCCC1 46701510 DTQFKLYBTWLAFG-UHFFFAOYSA-N 316.445 2.545 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)C(C)(C)C 42658976 JYPXCYVQAZJKMV-NSHDSACASA-N 308.447 2.746 0 40 DFAB COC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(C)cc1 1441884 NQBGFMQBDPKNCW-YUTCNCBUSA-N 318.369 2.555 0 40 DFAB biogenic COC(=O)C[C@@H](NC(=O)Cc1cccs1)c1cccs1 25194650 UMVPUSUBJHCEFC-LLVKDONJSA-N 309.412 2.773 0 40 DFAB COc1cc(NC(=O)CCCNC(=O)C(C)(C)C)cc(OC)c1 25432830 PEGPCIQDDTZPSQ-UHFFFAOYSA-N 322.405 2.585 0 40 DFAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC(=O)N1CCCC1 56374740 LCXHWPDCCZGARA-LBPRGKRZSA-N 323.824 2.665 0 40 DFAB O=C(O)[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 35296549 NLUJYSPUBDPTKU-NSHDSACASA-N 303.280 2.882 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N(C)C)cc1 12534153 QRUNFJHETJFFMH-UHFFFAOYSA-N 312.369 2.754 0 40 DFAB COC(CNC(=O)c1ccc(OCc2ccccc2)cc1)OC 61997440 BCYNTWYBQVHHGP-UHFFFAOYSA-N 315.369 2.614 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCc3[nH]c4ccccc4c3C2)n1 44895535 ICSDOWXNZJEWKD-UHFFFAOYSA-N 308.385 2.566 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12 44874031 MIDHCDQXQWLFET-SFHVURJKSA-N 322.408 2.652 0 40 DFAB COc1ccc(C)cc1CNCc1ccnc(-n2cccn2)c1 58244161 XWPINPQGWDDQKP-UHFFFAOYSA-N 308.385 2.874 0 40 DFAB COc1ccc(C(=O)NC[C@H]2CCCN(C(C)C)C2)cc1OC 58291470 KRRCLLMCUMBTLT-CQSZACIVSA-N 320.433 2.554 0 40 DFAB Cc1ccc(C(=O)C2CCN([C@H]3CCOC3=O)CC2)c(C)c1 44914283 AYEHVIGJGBHXNW-INIZCTEOSA-N 301.386 2.514 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2nnc(C)s2)cc1OC 44972100 ASLHXAZOZSJYNB-MRVPVSSYSA-N 322.390 2.746 0 40 DFAB Cc1ccoc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 48343247 OIOJXYKSPCFPIU-ZDUSSCGKSA-N 314.389 2.883 0 40 DFAB O=C1c2ccccc2-c2nn(CN3CCOCC3)c3cccc1c23 12914387 RRDRWGJMJHMQLW-UHFFFAOYSA-N 319.364 2.537 0 40 DFAB O=C(CC(F)(F)F)Nc1ccccc1OCCn1ccnc1 69567882 WIININZGFLSVOR-UHFFFAOYSA-N 313.279 2.853 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)c1 13345388 SQNYOMOBQAFSAW-JXMROGBWSA-N 317.366 2.894 0 40 DFAB O=C(CNC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 17305431 NRXCRROYVLCFIK-UHFFFAOYSA-N 312.413 2.501 0 40 DFAB O=C(c1cnc2ccccn2c1=O)N(C1CCCCC1)C1CC1 49655992 QBAAIFGNPWTQHA-UHFFFAOYSA-N 311.385 2.632 0 40 DFAB CCN1CCN(c2cc(C)c([C@H](N)c3ccccc3)cn2)CC1 72223637 TYJHXZSQYDFZBY-LJQANCHMSA-N 310.445 2.580 0 40 DFAB NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13955659 LMPKOGUXRHTRAM-GOSISDBHSA-N 319.364 2.589 0 40 DFAB CC(C)CCNS(=O)(=O)c1ccc(Br)s1 6325887 JVNFKYIPHGTLHG-UHFFFAOYSA-N 312.254 2.835 0 40 DFAB CCNC(=O)c1cccc(NC(=O)CCc2c(C)noc2C)c1 14141839 UJLCHSDZNHYFDU-UHFFFAOYSA-N 315.373 2.612 0 40 DFAB COCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699955 QUGIPNVQHWPXTE-CQSZACIVSA-N 320.433 2.927 0 40 DFAB Cn1cc([C@H]2C[C@H]2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cn1 66042690 RSDZJPLMUJAPOC-QZTJIDSGSA-N 323.396 2.545 0 40 DFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccncc1 8777708 QKTLUPZUZOFLOQ-UHFFFAOYSA-N 304.733 2.687 0 40 DFAB CC(C)(CC(N)=O)NC(=O)Cc1csc2ccc(Cl)cc12 96014097 WNEBVKRJCXWOHJ-UHFFFAOYSA-N 324.833 2.867 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 8962476 UHRFLTSMWRGNHK-UHFFFAOYSA-N 316.382 2.681 0 40 DFAB COc1cc(/C=C/C(=O)N2CCCC[C@H]2CCO)ccc1F 90165096 UWFYZDJBXXMXMH-OWNNVSBGSA-N 307.365 2.611 0 40 DFAB Cc1nc(C(F)(F)F)nc(N2CCC[C@@]3(CCNC3)C2)c1C 67789118 HRWFGBIJDUCJSA-AWEZNQCLSA-N 314.355 2.692 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 19309974 VXUHESPIEHDYCZ-WCQYABFASA-N 321.446 2.507 0 40 DFAB CC[C@@H](C)NC(=O)COc1cc(C)nc2ccc(OC)cc12 7942482 JZCKYDWXTPAVQJ-LLVKDONJSA-N 302.374 2.845 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)NCc2ccc(F)cc2)c1 9533401 COQWHVAFCSDJSP-UHFFFAOYSA-N 314.360 2.570 0 40 DFAB Cc1cccc(CNC(=O)Nc2nc3c(s2)COCC3)c1 89669515 GKVUYLRLURNJMM-UHFFFAOYSA-N 303.387 2.846 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)Cc2csc(C)n2)c1 71865669 HUMQWYGYRCBAQO-HNNXBMFYSA-N 318.446 2.580 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)NCCC(=O)NC(C)C)c1 71885932 SUBDKOHHMHFNMT-CQSZACIVSA-N 305.422 2.578 0 40 DFAB CCCN(C[C@@H]1CCCCO1)C(=O)c1noc2c1CCCC2 71882998 VXRAESKXEHSSED-ZDUSSCGKSA-N 306.406 2.975 0 40 DFAB O=C(CCn1ccc2ccccc21)N1CCC[C@H]1Cn1cccn1 71866257 XAQCZFANZFSQPA-KRWDZBQOSA-N 322.412 2.919 0 40 DFAB CC(C)N(C)CC(=O)NCc1ccc(OCC(F)(F)F)cc1 71837347 FWYGZZNMAKSJJT-UHFFFAOYSA-N 318.339 2.584 0 40 DFAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)NC1CC1 9607162 DWOPREZIHMNENR-UHFFFAOYSA-N 314.414 2.575 0 40 DFAB CCn1cc(NC(=O)CCc2ccc3c(c2)OCCCO3)cn1 71903483 PLACZNVUEFXGDO-UHFFFAOYSA-N 315.373 2.636 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N(C)C[C@@H]2CCCO2)cc1F 89888068 CCQXTKSCCMHAIS-AWEZNQCLSA-N 324.396 2.933 0 40 DFAB COCCS(=O)(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 72273673 RCADQHOALUZTBO-UHFFFAOYSA-N 311.447 2.751 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)no1 72283294 OXRJSZBONJZVNA-NSHDSACASA-N 304.350 2.509 0 40 DFAB Cc1ccc(CC(=O)N(C)Cc2ccc(C(=O)O)cc2)s1 97018515 SEUBGYRAIJYJIS-UHFFFAOYSA-N 303.383 2.956 0 40 DFAB Fc1ccc(CN2CCN(Cc3ncc[nH]3)CC2)c(Cl)c1 75610114 UYDQIEZSJJPNTA-UHFFFAOYSA-N 308.788 2.520 0 40 DFAB CC(C)(C)C(=O)CSCCS(=O)(=O)c1ccccc1 72312893 WJIMMVDTRFPRHX-UHFFFAOYSA-N 300.445 2.809 0 40 DFAB Cn1cnnc1CNc1cc(Cl)ccc1OC[C@H]1CCCO1 97233274 WFRDOTYKXRPICR-GFCCVEGCSA-N 322.796 2.638 0 40 DFAB CCc1nnc(NC(=O)Nc2c[nH]nc2-c2ccccn2)s1 95454874 QYOWMNXTPWRRNZ-UHFFFAOYSA-N 315.362 2.530 0 40 DFAB CN1CCCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 95999939 ONXKKWPMUCGBBR-UHFFFAOYSA-N 300.362 2.511 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)NC[C@H]1CCC[C@@H]1O 74316977 GNPPCRJAMJKROD-CJNGLKHVSA-N 318.417 2.578 0 40 DFAB CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccnc1Cl 79044159 OVRREQWULMRLMS-AWEZNQCLSA-N 317.820 2.638 0 40 DFAB COC[C@@H]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)C1 74928562 AMFXRWILPBXANL-CZUORRHYSA-N 324.396 2.581 0 40 DFAB COc1ccc2c(ccn2CCC(=O)NCCc2ccccn2)c1 79488184 WVJSEGUFXCZBRY-UHFFFAOYSA-N 323.396 2.794 0 40 DFAB CC(C)[C@H](NC(=O)c1[nH]ncc1Br)c1ccccn1 77022787 PJIWNHKJTFEYDB-NSHDSACASA-N 323.194 2.694 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)cc1 32912973 SFRFXPAYHUBFTI-AWEZNQCLSA-N 303.406 2.764 0 40 DFAB CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCCn1cccc1 1565519200 UHFRTXYETPZKIP-ROUUACIJSA-N 317.477 2.991 0 40 DFAB biogenic O=C1NCCc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc21 70638298 KZXZTDYQMSKLEL-UHFFFAOYSA-N 324.355 2.782 0 40 DFAB O=C(CSCc1ccc(F)cc1)NCCCN1CCCC1 38771953 ZPKIUORIRUQYDC-UHFFFAOYSA-N 310.438 2.661 0 40 DFAB Fc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1 72393753 LPNBAFANSAVULD-UHFFFAOYSA-N 311.364 2.872 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216349860 COPNRBGCMYZHMV-IHETXDGRSA-N 310.482 2.804 0 40 DFAB O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cscn1 73398428 FSUADJUXTOHEHE-UHFFFAOYSA-N 319.317 2.613 0 40 DFAB CC(C)OCCCNC(=O)c1cc2cccc(Cl)c2oc1=O 226040558 ULVJYFDKYIRKTF-UHFFFAOYSA-N 323.776 2.991 0 40 DFAB CCCN(C(=O)NCc1nccc(C(F)(F)F)n1)C1CC1 569210194 AFDVPKGRGOEDDY-UHFFFAOYSA-N 302.300 2.579 0 40 DFAB O=C(/C=C/c1ccco1)NCC1CCN([C@@H]2CCSC2)CC1 225567211 IOYWHTAKFBVXEL-NHZBNJEXSA-N 320.458 2.627 0 40 DFAB Cc1nc(C2(NC(=O)COC3CCCC3)CCCCC2)no1 44404442 YAMXNDXCVSEOOM-UHFFFAOYSA-N 307.394 2.613 0 40 DFAB C[C@H]1CCCN(c2ncc3c(n2)CN(C2CCCC2)C3=O)C1 46088020 HKBLPNJGHUUQSJ-LBPRGKRZSA-N 300.406 2.611 0 40 DFAB COC(=O)c1ccccc1OCc1cc(Br)no1 95098312 XAJXNOASYQDNEG-UHFFFAOYSA-N 312.119 2.803 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1n[nH]c(CCC2CCCC2)n1 96117638 IRTZZQDKPKRMRJ-UHFFFAOYSA-N 317.393 2.714 0 40 DFAB CCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1 96192693 SFIGINKOPCYJSY-HNNXBMFYSA-N 316.386 2.622 0 40 DFAB Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)c1cccnc1 96161010 YCYUPWMXPYTQGK-UHFFFAOYSA-N 307.397 2.672 0 40 DFAB C[C@]1(CNC(=O)c2c(F)cc(F)cc2F)CCCC[C@H]1O 96450838 HNKDVRVQSQFUQM-IUODEOHRSA-N 301.308 2.775 0 40 DFAB CO[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cccnc1 96200144 JDGZAXHGLAQSNN-JKSUJKDBSA-N 316.426 2.544 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1C 96433696 QFTTVIAPWHHHTR-OAHLLOKOSA-N 321.396 2.999 0 40 DFAB CS[C@@H]1CC[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C1 96487642 RNDPLEYZLDLAIY-NXEZZACHSA-N 321.414 2.668 0 40 DFAB c1cnc(N2CCC3(CCN(CC4CCCC4)CC3)C2)nc1 96157541 YAMDDQFLDURZIP-UHFFFAOYSA-N 300.450 2.959 0 40 DFAB O=C1CCC(=O)N1CCN1C[C@H]2CCCC[C@@]21c1ccccc1 96481033 RYAXJSGTOMCTJS-VQIMIIECSA-N 312.413 2.537 0 40 DFAB Fc1ccc2c(c1)OCCC[C@H]2NCCOC[C@H]1CCCO1 97238002 HSADIYVNLHCEND-GDBMZVCRSA-N 309.381 2.825 0 40 DFAB CCOCCCC(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 96414124 HCLJECIHWKKWGD-AWEZNQCLSA-N 306.406 2.667 0 40 DFAB Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H](O)C(C)C)c2)n1 96420126 UTRBZCMSUDDDOR-MRXNPFEDSA-N 316.405 2.628 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)ccn1 257276098 NSIVRXLVGDSRLE-MOEXGYKKSA-N 308.385 2.895 0 40 DFAB CN(C)CCN1CCC(Nc2nccc3ccc(F)cc23)CC1 354557870 GBZGCLBAZKONSF-UHFFFAOYSA-N 316.424 2.812 0 40 DFAB CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCNCC2 276716336 XGTLHVUHOGOPQQ-IAGOWNOFSA-N 318.486 2.779 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCC[C@@H](O)c1ccoc1 90612916 WDYXDXUNHIBYGC-CYBMUJFWSA-N 309.749 2.795 0 40 DFAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1ccsc1 390826967 ROJMIPWWKAGJBK-UHFFFAOYSA-N 312.398 2.745 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC[C@H](Oc2ccncn2)C1 575604799 FNKBHKBEOXNJTL-JTQLQIEISA-N 323.805 2.875 0 40 DFAB CC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 95946942 MQGMTEDPYKBOTB-QGZVFWFLSA-N 300.402 2.512 0 40 DFAB O=C(N[C@H](Cc1cccs1)c1nccs1)c1cc[nH]n1 12087873 RDKFHZUMVLOARY-LLVKDONJSA-N 304.400 2.642 0 40 DFAB Cc1cc([C@@H](O)CN2CCN(c3ccccn3)CC2)c(C)s1 12330475 VNUJCNATMCPRGU-INIZCTEOSA-N 317.458 2.616 0 40 DFAB Fc1ccc2ncnc(N3CC(Cn4cc(Cl)cn4)C3)c2c1 1889151966 GKTIKZZLVPYTGB-UHFFFAOYSA-N 317.755 2.755 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056225036 WROKRYKWVIRRCD-FVMIAERFSA-N 316.376 2.801 0 40 DFAB CC(=O)N(CCCN(C)C)c1nc2c(F)cc(F)cc2s1 4359811 FDPLJCXPUIYJOW-UHFFFAOYSA-N 313.373 2.879 0 40 DFAB COc1nn(C)cc1C(=O)OCc1cc(-c2cccs2)on1 36662603 XXQTZARAWZVYCL-UHFFFAOYSA-N 319.342 2.502 0 40 DFAB O=C(NCCOCCn1cccn1)c1cc2ccccc2s1 575619745 MSXXYMMYGDYKSQ-UHFFFAOYSA-N 315.398 2.544 0 40 DFAB O=C(NCC[C@@H](O)c1ccco1)c1nc2ccccc2s1 77110957 JBWNHKRZOQAJIU-LLVKDONJSA-N 302.355 2.743 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 191588 QDFFRWOSQUHIFX-LLVKDONJSA-N 317.316 2.638 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 209072 BUKPIOJISCQXGT-HNNXBMFYSA-N 323.396 2.944 0 40 DFAB C[C@H](N[C@@H]1CCc2sc(Cl)cc21)[C@H]1CN(C)CCO1 90575802 JFWUHCKGDDDQLR-MVWJERBFSA-N 300.855 2.698 0 40 DFAB O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(F)cc1 101445 YDCAABKMMODBCJ-INIZCTEOSA-N 314.341 2.711 0 40 DFAB CCCCCOC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 1703561 VNQYDLHOFGXTTC-UHFFFAOYSA-N 314.407 2.676 0 40 DFAB N[C@H](C(=O)O)[C@H](SCc1ccccc1)c1cccc(O)c1 1708268 LDBOLKFNTXQYTN-LSDHHAIUSA-N 303.383 2.779 0 40 DFAB CCN(CC)CCC[C@@H](C)n1c(=O)oc2ccccc2c1=O 2023656 NWHSTSPKENDSKU-CYBMUJFWSA-N 304.390 2.638 0 40 DFAB O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1 2440872 CWQGYXDAFVPCGP-UHFFFAOYSA-N 307.353 2.986 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1COc2ccccc2O1 6309524 DRZZLHMFGUKXQN-PXAZEXFGSA-N 313.353 2.712 0 40 DFAB CC(C)(C)c1ncc(CNCc2cccc(C(N)=O)c2)s1 59180895 XBZTXUYQGKNTHB-UHFFFAOYSA-N 303.431 2.829 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2)cc1 10567311 ZWWLKZWGNMSRCO-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB CC1(C)C[C@@H](NC(=O)c2cnccn2)c2ccc(F)cc2O1 96477129 CTVBMACIZHYFIP-GFCCVEGCSA-N 301.321 2.648 0 40 DFAB COCCN1CCC(NCc2ccc(C)cc2SC)CC1 96479328 MTMFMXBOJYWOIO-UHFFFAOYSA-N 308.491 2.917 0 40 DFAB O=C(COc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 32911505 PAAGOEKIGYTHSX-SFHVURJKSA-N 324.424 2.846 0 40 DFAB O=C(NCc1ccoc1)NCc1cccc(Cn2ccnc2)c1 46020089 AYENVLASXKNBAT-UHFFFAOYSA-N 310.357 2.524 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC[C@@H](n2ccnc2)C1 69919535 CKRYXUCQSAZEBL-QGZVFWFLSA-N 320.396 2.838 0 40 DFAB CC(C)Oc1ccc(CNc2ncc(C(N)=O)cc2Cl)cn1 54060130 WRAPCJGEODQXTJ-UHFFFAOYSA-N 320.780 2.628 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 23387909 SHIRGSXDGQCUHM-RYUDHWBXSA-N 317.355 2.817 0 40 DFAB Cc1c(C(=O)Nc2ccnn2C(C)C)cnn1-c1ccccn1 68235198 UPJRMCBVUSZVMW-UHFFFAOYSA-N 310.361 2.605 0 40 DFAB Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c2ccc(F)cc2n1 24482822 GCRUFFPKYHWRHY-UHFFFAOYSA-N 312.348 2.688 0 40 DFAB O=C(NC[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 26895871 FCMHQDUEDVBCNC-MRXNPFEDSA-N 313.353 2.856 0 40 DFAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C 110494917 YRVUYMPRNKRDFL-NXBVOPPISA-N 305.374 2.919 0 40 DFAB CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1 1770008 JDSFSVPZISONKO-UHFFFAOYSA-N 301.822 2.700 0 40 DFAB Nc1nc(Cl)cc(NCc2cccc(Cn3ccnc3)c2)n1 44975393 VEGGXFHYADLGDH-UHFFFAOYSA-N 314.780 2.569 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1nnc2n1CCC2 44934496 NALIFSMPWCYLKF-GFCCVEGCSA-N 310.401 2.594 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc(Br)c1 3218213 GNRLSAWMJACRTD-GZMMTYOYSA-N 312.163 2.587 0 40 DFAB COc1ccccc1CNC(=O)COC(=O)c1ccc(C)s1 3219284 USBWFUSWNRNVRC-UHFFFAOYSA-N 319.382 2.538 0 40 DFAB O=C(NCCCn1ccnc1)c1cc2c(cn1)[nH]c1ccccc12 12663453 SCAVNCKTPZOUDS-UHFFFAOYSA-N 319.368 2.733 0 40 DFAB biogenic Cc1cccc(CNCCS(=O)(=O)Cc2ccccc2)c1 48277707 XDCQFQPZAGWXNJ-UHFFFAOYSA-N 303.427 2.700 0 40 DFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1csc(C)n1 3431286 AYBOCBQSEGBEDI-NVNXTCNLSA-N 316.382 2.672 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)N1 70075762 SNJFHIDZTINDQZ-AOOOYVTPSA-N 301.217 2.745 0 40 DFAB CN(C)C(=O)C1(c2ccc(Br)cc2)CCOCC1 69434283 GBKFSJIUYWDHHD-UHFFFAOYSA-N 312.207 2.586 0 40 DFAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)noc1C)c1ccccc1 5197629 VKVCIRMGMQBOFJ-ZDUSSCGKSA-N 316.357 2.890 0 40 DFAB COc1ccc(NC(=O)C[S@](=O)c2ccc(F)cc2)cc1 5210769 FOEXXOSQZHPYJW-OAQYLSRUSA-N 307.346 2.581 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)Cc2c(C)noc2C)c1 14018701 PFPGBUSUUIMBCZ-UHFFFAOYSA-N 302.330 2.568 0 40 DFAB CCc1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)cc1 6473794 FSLMNHQISWBHRM-UHFFFAOYSA-N 322.393 2.885 0 40 DFAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C=C/c1ccccn1 69514916 SIVRTILVCXQGJA-AATRIKPKSA-N 317.295 2.970 0 40 DFAB COCCNC(=O)Nc1cccc(OCC(F)(F)F)c1C 69688010 YSOLFQUMDWCMDY-UHFFFAOYSA-N 306.284 2.704 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3cccs3)CC2)cs1 69770240 OBEMIDMVKOWWBZ-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB CC(C)CNC(=O)[C@@H](C)[S@@](=O)Cc1csc(C(C)C)n1 69897144 FPIQUPCVQJTHAI-BIBXISHDSA-N 316.492 2.676 0 40 DFAB COc1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)cc1 8739211 XRDQHEAKOVLRMV-UHFFFAOYSA-N 308.341 2.920 0 40 DFAB Nn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 71327701 FYLWCDGRHGXDEX-UHFFFAOYSA-N 301.346 2.542 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)Cc1ccsc1 9377599 VYLOSEBQRCRSOB-UHFFFAOYSA-N 306.412 2.507 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC[C@H]1CCCO1 71870339 DPIFBOIQCDZCQF-CABCVRRESA-N 305.422 2.660 0 40 DFAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(Cl)cn1 26088492 CUCKGVCKOXFGSL-UHFFFAOYSA-N 309.778 2.555 0 40 DFAB CCc1ccc2nc(NC(=O)N3CCC[C@@H]3CO)sc2c1 83825564 YXNOAUUCNAUGJT-LLVKDONJSA-N 305.403 2.847 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C)n(C)n2)C12CCCC2 71920770 QXCWEMOSYWIPHI-GJZGRUSLSA-N 305.422 2.538 0 40 DFAB O=C1OCC[C@H]1NCC1(c2ccc3c(c2)OCO3)CCCCC1 71902587 YRQHOPKRYYSQAU-CQSZACIVSA-N 317.385 2.522 0 40 DFAB CCOC(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2F)C1 72080625 MCKRWKBUMNPNGM-LBPRGKRZSA-N 308.353 2.657 0 40 DFAB COCCN1CCC[C@]2(CCN(c3nc4ccccc4o3)C2)C1 72131904 MPGHMKYFKKNTDA-SFHVURJKSA-N 315.417 2.767 0 40 DFAB CN(C)C[C@H]1CN(Cc2c(Cl)ccc3cccnc23)CCO1 72267618 FCHFTROHTSENIE-AWEZNQCLSA-N 319.836 2.651 0 40 DFAB CCCn1cnnc1COC(=O)CCc1c[nH]c2ccccc12 89960768 NXXALTPCGJMBJB-UHFFFAOYSA-N 312.373 2.845 0 40 DFAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1CC1 76084701 IAILDERYWSVJJX-QGZVFWFLSA-N 301.434 2.560 0 40 DFAB CC(C)(C)SCC(=O)Nc1cccc(Cl)c1C(N)=O 76067146 YTDNAMPDJLGYPP-UHFFFAOYSA-N 300.811 2.909 0 40 DFAB Clc1ccc(N2CCN(CCCN3CCCCC3)CC2)nc1 84428968 IDDWWRKOTXITMD-UHFFFAOYSA-N 322.884 2.733 0 40 DFAB C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2nnc3n2CCCCC3)C1 95404461 VHGGNCQMMBMYHA-ZIAGYGMSSA-N 319.453 2.725 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCO[C@@H]1CCOC1 95411430 YUQSLYJYTOKINI-QXSJWSMHSA-N 310.438 2.545 0 40 DFAB CN(Cc1nc(-c2cnn(C)c2)cs1)C(=O)c1ccccc1 95400912 RSIVLQWLTPEGFW-UHFFFAOYSA-N 312.398 2.816 0 40 DFAB CCCS(=O)(=O)Nc1ccc(-n2cnc3ccccc32)nc1 95990473 XJEUUABSRBPPGH-UHFFFAOYSA-N 316.386 2.572 0 40 DFAB CC(C)[C@H](C)C(=O)Nc1ccccc1CN1CCC(O)CC1 95986081 WYBSIZLQGJXDJB-AWEZNQCLSA-N 304.434 2.874 0 40 DFAB CCc1cccc(N(C#N)[C@H]2CCN(CC(F)(F)F)C2=O)c1 89289517 JILSNABVLRRRIH-ZDUSSCGKSA-N 311.307 2.700 0 40 DFAB O=C(Cc1ccc2c(c1)OCC2)Nc1cccc(-c2nc[nH]n2)c1 79490215 YKYJDJAJZNBGSY-UHFFFAOYSA-N 320.352 2.588 0 40 DFAB C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 22540541 RXIJMJNQJIPESU-CHWSQXEVSA-N 314.360 2.880 0 40 DFAB CCn1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)n1 72265171 NIWJMBWGHXHPHT-UHFFFAOYSA-N 313.401 2.898 0 40 DFAB CC(=O)Nc1ccc(-c2nc3ncccc3o2)c(OC(C)=O)c1 34454380 LGYAGEPDGMLGEX-UHFFFAOYSA-N 311.297 2.774 0 40 DFAB CC(C)n1c(=O)c2sccc2n(Cc2ccccc2F)c1=O 32102323 VDVWYUXPPZBLRV-UHFFFAOYSA-N 318.373 2.993 0 40 DFAB Cc1ccc(-c2onc(C)c2C(=O)NC[C@H]2CCCO2)cc1 35672343 KHGDHTPAFLRDRM-CQSZACIVSA-N 300.358 2.867 0 40 DFAB COc1cccc([C@@H]2[C@H](N[C@H]3CCO[C@H]3C)CCN2C2CC2)c1 181281235 YWSDFNSSADPJSM-NOENWEJRSA-N 316.445 2.740 0 40 DFAB COCCCNC(=O)c1cccc(COc2ccc(C)nc2)c1 74685868 UZMQJZCHHLTQIA-UHFFFAOYSA-N 314.385 2.735 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccccc2)c2c(C)nn(C)c2n1 44896095 ATGQQIWSFLJNSW-UHFFFAOYSA-N 308.385 2.857 0 40 DFAB Cc1ncsc1C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 187830575 QVLHDPBVRMMEAK-CABZTGNLSA-N 322.352 2.665 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 225669904 ZWLKACNAAGZECG-BONVTDFDSA-N 301.296 2.657 0 40 DFAB C[C@@]1(C(=O)Nc2nccs2)Sc2ccccc2NC1=O 40804142 YUSVGNHACKGJKL-CYBMUJFWSA-N 305.384 2.585 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)c2ccc(C#N)cc2)C(=O)O)c1 195542126 XUBSYUGKOLZFFV-QGZVFWFLSA-N 322.364 2.540 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@@](C)(O)c2ccsc2)cs1 80892026 IJHGFMXKWQNNEZ-RDFMZFSFSA-N 308.428 2.550 0 40 DFAB C[C@H]1CN(c2cc(CNc3ncccc3Cl)ccn2)CCO1 195537914 RKLXXYQVNOBHKY-LBPRGKRZSA-N 318.808 2.967 0 40 DFAB C[C@@]1(NS(=O)(=O)c2ccc3c(c2)CCCO3)CC=CCC1 333926749 VSQASMRBUJBXIS-MRXNPFEDSA-N 307.415 2.789 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1 239846269 LAWYTUUUCUWWPR-UHFFFAOYSA-N 310.401 2.711 0 40 DFAB CCN1CC[C@@H](N(C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C 96419589 ROIRRISWIXKVFP-WMLDXEAASA-N 313.445 2.833 0 40 DFAB O=C(Cn1cccn1)N1CCSC[C@H]1c1ccc(Cl)cc1 96407415 SJUWPJIEUVOWNF-AWEZNQCLSA-N 321.833 2.853 0 40 DFAB O=C(CCCc1nc(C2CC2)no1)Nc1nnc(C2CC2)s1 96416912 MHSFWLPNOQHSAC-UHFFFAOYSA-N 319.390 2.637 0 40 DFAB CCN(CC)[C@@H]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 96209258 COWOYWOIPYLTLY-CRAIPNDOSA-N 320.433 2.694 0 40 DFAB O=C(c1ccc[nH]1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 96214907 FLYNTEVQYKYPRJ-IBGZPJMESA-N 324.428 2.681 0 40 DFAB CCN1C[C@H](C(=O)N2CCCCc3c(Cl)cccc32)CC1=O 348226379 ZLHMMLJXZCXMQV-GFCCVEGCSA-N 320.820 2.878 0 40 DFAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)c2ccncc2)n1 257259619 KZERYIJLPMNGJA-INIZCTEOSA-N 321.384 2.800 0 40 DFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@H]2CN)cc1 252515469 KHDLRWBHQSIDCK-GVDBMIGSSA-N 301.411 2.510 0 40 DFAB CC(=O)N1CCN(Cc2scnc2C)C[C@@H]1c1ccccc1 257202319 ALGMZKYYPINSNE-MRXNPFEDSA-N 315.442 2.857 0 40 DFAB Cn1cnc2cncc(C(=O)Nc3ccc(N4CCCC4)cc3)c21 585141585 VVWKBGGXTFXSHX-UHFFFAOYSA-N 321.384 2.821 0 40 DFAB COCC[C@@H]1CN(Cc2scnc2C)Cc2cccn2C1 585095231 IRHZUVNVEFIOSD-CQSZACIVSA-N 305.447 2.922 0 40 DFAB Cn1ccc(CCNC(=O)N2CCC[C@H]2c2cccs2)n1 680630170 CEEUZGQJROKWHM-ZDUSSCGKSA-N 304.419 2.571 0 40 DFAB Cc1ccoc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 48310658 GEIGFHMFHLLHIL-UHFFFAOYSA-N 311.341 2.638 0 40 DFAB Cc1cccc2c1N[C@@H](c1ccc(-n3cncn3)c(F)c1)NC2=O 58232580 MSTKFXPHIZKPOY-MRXNPFEDSA-N 323.331 2.569 0 40 DFAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 76092493 ALHSQEDYVRLGQY-JSGCOSHPSA-N 318.377 2.880 0 40 DFAB COC(=O)CCCC(=O)Nc1cccc(Br)c1 5320119 VSYPRMDPGPXVSW-UHFFFAOYSA-N 300.152 2.731 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 15197360 INWUPWFKAMLAPQ-ZDUSSCGKSA-N 317.410 2.890 0 40 DFAB C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)Nc1ccccc1C2=O 19576373 CGRCPNKISDEKNO-JXFKEZNVSA-N 320.392 2.960 0 40 DFAB Cn1ccc(C(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225950 BUASJFUXGOSXEY-GFCCVEGCSA-N 318.427 2.652 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)[C@H]1CC=CCC1 252537715 MCARAUBAFCRJLT-KKUMJFAQSA-N 301.390 2.639 0 40 DFAB Cc1cc(C)n2nc(SCc3ccc4c(c3)OCO4)nc2n1 4523680 QYDSVSGMBVLBSK-UHFFFAOYSA-N 314.370 2.762 0 40 DFAB CCCCNC(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 29723270 ZJOSKDYNKXFFLE-HNNXBMFYSA-N 316.405 2.617 0 40 DFAB Cc1noc([C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2c2ccccc2)n1 244970180 HNCRRJWTCSRYLM-HZPDHXFCSA-N 323.352 2.994 0 40 DFAB COc1cc(C)c(I)c(OC)c1OC 1565504866 WZBCLRJCLRRTDW-UHFFFAOYSA-N 308.115 2.625 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1F 1430054 VDFKKUDGKSNKBR-UHFFFAOYSA-N 321.333 2.511 0 40 DFAB CC(=O)CSc1nc2ccsc2c(=O)n1-c1cccnc1 1775967728 ASKJUSVCLSOLNE-UHFFFAOYSA-N 317.395 2.523 0 40 DFAB CSc1ncccc1C(=O)NC[C@@H]1COC2(CCCCC2)O1 38568565 YDZSGEOYOQVAPT-GFCCVEGCSA-N 322.430 2.609 0 40 DFAB O=C(CN1CCCC1)Nc1ccc(OC(F)(F)Cl)cc1 94800 SMYVNVOVKBCILP-UHFFFAOYSA-N 304.724 2.889 0 40 DFAB CCc1ccc(CNC(=O)c2cnn3c(C)cc(C)nc23)s1 40108990 CBMPSKQLAOZGQL-UHFFFAOYSA-N 314.414 2.900 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NC[C@H](O)c1ccccc1 40286169 ZAPVIAYNLDYAAN-SFHVURJKSA-N 308.381 2.800 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1 111339 FZTCFUMHCRPRRK-CQSZACIVSA-N 300.402 2.797 0 40 DFAB C[C@H](CCc1ccco1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 90522493 BTZSJBQSCWPDMS-LZQZEXGQSA-N 320.477 2.958 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c(C)c1 1329887 BLXYIRHVGASDKQ-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB COc1cc2c(cc1NC(C)=O)-c1ccc(NC(C)=O)cc1C2=O 1714592 KGWNRJSWGHYBOH-UHFFFAOYSA-N 324.336 2.823 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 40462137 KTWTVWQADLNTAL-CYBMUJFWSA-N 303.387 2.554 0 40 DFAB CCNc1nc(NCC)nc(SCCOc2ccccc2)n1 2183420 DSLPAVFQXONFEQ-UHFFFAOYSA-N 319.434 2.906 0 40 DFAB Cc1cc(=O)c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)n1C 100797183 TVFLESFYAKPJHF-ACJLOTCBSA-N 304.434 2.800 0 40 DFAB biogenic CS(=O)(=O)c1cccc(OCCOc2cccc(F)c2)c1 59013377 QXQSHVIYEVYZGF-UHFFFAOYSA-N 310.346 2.687 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(OC)cc1 3178529 JBIYITYDUSRPIS-ZDUSSCGKSA-N 306.406 2.966 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN1CCSC1=O 40553185 OIPRUNCDZAUHJP-LBPRGKRZSA-N 322.430 2.887 0 40 DFAB C[C@H](O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 6703659 XEAFACLEGDPVEF-PDSMFRHLSA-N 317.385 2.800 0 40 DFAB CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 6706778 UEDDFWMBQBKRRN-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB Cc1cnc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cn1 7414983 ZIGKPFFJGNQONR-SNVBAGLBSA-N 304.733 2.867 0 40 DFAB C[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)[C@@H]1c1cccc(F)c1 96445561 KTGKBNROHXPIKK-SJCJKPOMSA-N 314.360 2.748 0 40 DFAB CSc1ccc(CNc2cccc(NC(=O)CO)c2)cc1 89493868 IMODMZXOSYNSJO-UHFFFAOYSA-N 302.399 2.951 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COc2ncnc3ccccc23)CCC[C@H]1C 102169076 NUWOTKGLWCBUMB-IPYPFGDCSA-N 313.401 2.950 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102714302 XDKQZASWFPKWLP-IYDIDCQVSA-N 321.442 2.992 0 40 DFAB Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)on1 21564895 KGYFLLXTDIYNCQ-UHFFFAOYSA-N 300.343 2.678 0 40 DFAB Cc1cccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9602590 JYTNBUIAPFHTCT-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccc(F)cc1F 32912586 KCBYCIYGUOQIEH-CQSZACIVSA-N 322.311 2.829 0 40 DFAB CCN(CC)CCN(C)[C@H](C)C(=O)Nc1ccccc1Cl 22871005 BXQOLQWNEFCLSG-CYBMUJFWSA-N 311.857 2.941 0 40 DFAB CC(C)(C)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 2712939 CSAASLKERXHDOA-NTCAYCPXSA-N 312.369 2.965 0 40 DFAB Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1O)N2 103541860 VZNRHEGUAGBQPJ-CQSZACIVSA-N 305.341 2.622 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)nc1 53674568 WFRLNWAHIXSIAY-SECBINFHSA-N 302.355 2.601 0 40 DFAB COCc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1 54059894 LNFZSNNQYLRXDZ-UHFFFAOYSA-N 305.765 2.592 0 40 DFAB C[C@H]1CN([C@H](C(=O)N2CCCC2)c2ccccc2)CC(C)(C)O1 68477389 UHHWFKBHMIHRNL-RDJZCZTQSA-N 316.445 2.849 0 40 DFAB CC(C)COC(=O)Nc1cccc(N2C(=O)[C@H](C)NC2=S)c1 58169093 VCUSNKJSOGRANC-JTQLQIEISA-N 321.402 2.501 0 40 DFAB COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccn1 42621662 PWCCNSGAMMBHLA-HUUCEWRRSA-N 300.333 2.649 0 40 DFAB CCOC(=O)N1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 43274936 JBEVMDHBKAAIGE-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB CCOC(=O)c1c(NC(=O)CC(C)=O)sc2c1CC[C@@H](C)C2 1465321 VAAKKFQSSCHUFO-SECBINFHSA-N 323.414 2.967 0 40 DFAB Cc1nnc2n1-c1nnc(C)n1-c1sc3c(c1-2)CC[C@H](C)C3 1425821 CTDPGCJWBNWSCQ-ZETCQYMHSA-N 312.402 2.632 0 40 DFAB C[C@H]1CN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 16332831 KVFJQGUOLLWFDD-OTVCIVPSSA-N 320.477 2.569 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)C[C@H](C)O 107144772 RXKMMQNFELUPKT-RWMBFGLXSA-N 302.484 2.757 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)c1ccoc1)CC2 56462380 LVVSCCHUHIWYRC-UHFFFAOYSA-N 301.342 2.538 0 40 DFAB NC(=O)c1c(NC(=O)c2ccc(O)cc2)sc2c1CCCC2 1788417 IDOZOVLEJQLPFL-UHFFFAOYSA-N 316.382 2.684 0 40 DFAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccncc1 12554281 NWPSNINAOMPNQO-UHFFFAOYSA-N 300.343 2.764 0 40 DFAB Cc1cc2cc(NC(=O)c3sccc3-n3cnnn3)ccc2[nH]1 58100696 GOANXPUZLWGATF-UHFFFAOYSA-N 324.369 2.766 0 40 DFAB O=C(Nc1cccnc1-n1cncn1)c1ccc(Cl)cc1F 58180756 ZYLHWKWOBYFHSG-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB COc1ccc(NC(=O)NCc2ccoc2)cc1NC(C)=O 47834237 UEMRMKIWWZDEPZ-UHFFFAOYSA-N 303.318 2.568 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)OCc3ccccn3)CC2=O)cc1 36147789 PXGXCLQBJBYLSA-HNNXBMFYSA-N 324.380 2.740 0 40 DFAB C[C@H](NC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H]1CCCO1 44951667 ZGKGSOOJTMTJMF-DZGCQCFKSA-N 318.421 2.761 0 40 DFAB O=C(NCCO)c1cc2sccc2n1Cc1ccccc1F 44922289 ULCLPWLVBLCTPD-UHFFFAOYSA-N 318.373 2.612 0 40 DFAB Cc1cc([C@H]2CCCN2CCn2c(=O)oc3ccccc32)on1 44975814 QHHQDJPNXUIICO-CYBMUJFWSA-N 313.357 2.728 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2cnc3ccccc3n2)C1 3256516 OOAPYKLARLJPAY-LBPRGKRZSA-N 301.415 2.980 0 40 DFAB CCc1ccc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 12684808 HLBNGYODIMQYCZ-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1 3400400 HHEDFZZBGXLPGA-UHFFFAOYSA-N 316.332 2.687 0 40 DFAB CC[C@H](SC(=S)N1CCCC1)C(=O)Nc1cc(C)on1 16807726 RYHDGQSDUSVWIP-JTQLQIEISA-N 313.448 2.814 0 40 DFAB S=C(NCCCc1ccccc1)NCCN1CCCCC1 408585074 BXPIPLQQMPKIJS-UHFFFAOYSA-N 305.491 2.569 0 40 DFAB O=C1c2ccccc2C(=O)N1CNc1ccc2ncccc2c1 13208224 FSTZBJQUIMLWHC-UHFFFAOYSA-N 303.321 2.900 0 40 DFAB Cc1ccc(CC(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13389937 FFXOYSSOVGNRIO-CYBMUJFWSA-N 303.383 2.931 0 40 DFAB Cc1nnc([C@H](C)N2CCN(C(=O)CC3CCCCC3)CC2)o1 69445094 IKKFIFPRMMHDKX-ZDUSSCGKSA-N 320.437 2.554 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1cnn(C)c1 69417524 LCCDSZUEWJUQAT-UHFFFAOYSA-N 310.357 2.656 0 40 DFAB CCOc1ccc(S(=O)(=O)n2ccnc2C(C)C)cc1C 20808037 IMIPPQQOXGUPBB-UHFFFAOYSA-N 308.403 2.951 0 40 DFAB O=C(O)c1c[nH]c(=S)n(-c2cc(Cl)cc(Cl)c2)c1=O 20156295 LUWUPFWNSALPAH-UHFFFAOYSA-N 317.153 2.900 0 40 DFAB CCn1cc(Cl)c(C(=O)Nc2cc(OC)ccc2OC)n1 28222665 VQTHYVWTPHSNCV-UHFFFAOYSA-N 309.753 2.826 0 40 DFAB CC(C)Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 65592302 KWZHHZRJZMSZGM-CYBMUJFWSA-N 310.467 2.948 0 40 DFAB CC(C)CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707315 MTBXFUXEPPTIEG-UHFFFAOYSA-N 324.424 2.707 0 40 DFAB CCc1nc2c(cnn2-c2ccccc2)c(=O)n1Cc1ccco1 5451211 CAVRGFWHXDHXRC-UHFFFAOYSA-N 320.352 2.786 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)C1 8753668 PGLFMRURDQIQCP-SECBINFHSA-N 324.837 2.962 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 69663187 ILPJIABWANNCKH-CZUORRHYSA-N 324.428 2.713 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 69817504 ZAFXJXZSTVTWPF-DZGBDDFRSA-N 320.820 2.556 0 40 DFAB COc1ccc2c(CSc3ncccn3)cc(=O)oc2c1 6912174 KWEMNWYJDJUQER-UHFFFAOYSA-N 300.339 2.884 0 40 DFAB COCCCNC(=O)Nc1cc(F)ccc1N1CCCCC1 69808463 LTJHZSIHCCVUMD-UHFFFAOYSA-N 309.385 2.974 0 40 DFAB CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cnn(C)c1 96439394 AQYSPNCIXGPMOI-MRXNPFEDSA-N 300.406 2.583 0 40 DFAB COc1ccc(OC[C@H](O)CNCC(C)C)c(C(C)(C)C)c1 9585724 GWVRZYKUHXLRIF-CQSZACIVSA-N 309.450 2.978 0 40 DFAB COC(=O)c1sccc1NC(=O)Cc1ccc(OC)c(F)c1 8945822 UPLMGFHTLWRWIM-UHFFFAOYSA-N 323.345 2.864 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1 19439980 JQNXRJJRHHJYDP-LLVKDONJSA-N 312.163 2.528 0 40 DFAB CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cncn2)CC1 71799715 XUCHBWHLISBJSI-HOTGVXAUSA-N 319.453 2.839 0 40 DFAB O=C(Cn1c(CO)nc2ccccc21)NC1CCCCCCC1 71794586 ZJPLJVHJOLZUDO-UHFFFAOYSA-N 315.417 2.758 0 40 DFAB O=C(CC(C1CC1)C1CC1)N[C@H]1CCCc2[nH]c(=O)ccc21 71830983 DLRJMLONQBIIFU-INIZCTEOSA-N 300.402 2.695 0 40 DFAB O=C(c1cccnc1-n1cccn1)N1CC[C@H]2CCCC[C@@H]2C1 71828336 GHEOONQCCUFECT-HUUCEWRRSA-N 310.401 2.920 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)[nH]c1=O 75118287 HFFQEZPXSZVALH-ZDUSSCGKSA-N 302.399 2.894 0 40 DFAB Cc1nccn1C[C@@H](C)OC(=O)c1cnn(-c2ccccc2)c1 75109496 STBCOBVFKLWKLC-CYBMUJFWSA-N 310.357 2.623 0 40 DFAB Cc1cc(C(=O)N2CCN(C[C@@H](C)c3ccccc3)CC2)on1 71909857 MFHSXBQGGJDOMQ-CQSZACIVSA-N 313.401 2.545 0 40 DFAB O=C(CSc1cccs1)NC(=O)NCc1cccs1 71910002 AKAHWNHSYHLNOQ-UHFFFAOYSA-N 312.441 2.928 0 40 DFAB CCS[C@@H]1CCCC[C@H]1Nc1nn2c(=O)ccnc2s1 75105360 LDJBRNFBMDXCHE-NXEZZACHSA-N 310.448 2.627 0 40 DFAB CC(=O)N1C[C@@H](C)CN(C(=O)[C@@H]2CCCS2)c2ccccc21 75216445 LTLXTEHFQJTIEN-WBMJQRKESA-N 318.442 2.918 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1O 9737382 VTDFWHBCMDEWIC-UHFFFAOYSA-N 309.325 2.839 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCS1 89802124 RNZKPEWNGJWQNH-HNNXBMFYSA-N 316.426 2.742 0 40 DFAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccnc1Cl 96999742 BGDIKNOKBXFZNS-UHFFFAOYSA-N 304.733 2.705 0 40 DFAB COCCC[C@H](C)C(=O)N1CCC[C@H](N2CCCCCC2)C1 97047281 PBVSLVNXMFHAHZ-IRXDYDNUSA-N 310.482 2.916 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1Cc1noc(-c2ccoc2)n1 97082427 CIBGYCSAVLIGTB-SNVBAGLBSA-N 310.313 2.781 0 40 DFAB CCCCc1noc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)n1 89954875 KZFUDGSPNMIGMO-NEPJUHHUSA-N 318.425 2.752 0 40 DFAB CC(C)c1nc(CN2C[C@H](C)C(=O)Nc3ccccc32)no1 72488685 XXZNWCMVEUKYIP-NSHDSACASA-N 300.362 2.788 0 40 DFAB O=C(/C=C/c1cnccn1)Nc1nnc(Cc2ccccc2)s1 84544510 IBRQZYMQGOERMX-VOTSOKGWSA-N 323.381 2.571 0 40 DFAB CCCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 95397668 VZJKFCQWFKVXEA-DOTOQJQBSA-N 319.449 2.787 0 40 DFAB C[C@@H]1CN(c2cnnc(O)c2Cl)C[C@H](c2ccsc2)O1 95413868 BZEYGAWIEZDPKB-LDYMZIIASA-N 311.794 2.864 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCCCNC(=O)C(C)C)cc1F 95440324 GSVYNLHRIVGWBY-CYBMUJFWSA-N 323.412 2.657 0 40 DFAB O=C(c1cccc(OCc2cccs2)c1)N1CC[C@@H](O)C1 78972433 RCFDBTHPYNPXSU-CYBMUJFWSA-N 303.383 2.534 0 40 DFAB CC(C)n1ccc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)n1 88578267 WOTBXNBPJQHHRE-KRWDZBQOSA-N 322.453 2.595 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)CCc2cscn2)cc1 95970396 PYICKIQGAIRTML-FPYGCLRLSA-N 302.355 2.812 0 40 DFAB O=C(c1sccc1-c1ccccc1)N1CC(n2ccnn2)C1 95997904 YJUBNXAJIHTHEI-UHFFFAOYSA-N 310.382 2.704 0 40 DFAB CC[C@H](CNC(=O)c1c(C)nn(C)c1C)Oc1ccccc1F 79013669 NHUBEBYVUBHRSP-CYBMUJFWSA-N 319.380 2.763 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ccn[nH]2)C1 170674229 SUAKVQSRXPSSFI-AWEZNQCLSA-N 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DFAB O=C(N[C@@H]1C[C@H](O)c2ccccc21)c1cnc2n1CCCCC2 585114262 WXWJILQKIPUSFF-ZBFHGGJFSA-N 311.385 2.518 0 40 DFAB CN(C)[C@H](CNC(=O)Nc1nccs1)c1cccc(F)c1 42811400 CRZHFTVVBLJXQS-GFCCVEGCSA-N 308.382 2.707 0 40 DFAB O=C(CCCOCc1ccccc1)N1CCCN(C2CC2)CC1 50631252 OHEBZGHPRUSCMS-UHFFFAOYSA-N 316.445 2.680 0 40 DFAB CO[C@H](C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)c1ccccc1 84110153 MTWQJHFKQQSTLB-WBVHZDCISA-N 313.401 2.812 0 40 DFAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(O)c2)CC1 92755006 HTLCVWPPXXRGLB-AWEZNQCLSA-N 304.434 2.765 0 40 DFAB Cc1ccc(CCC(=O)N2CC(OCC(F)(F)F)C2)cc1F 585365669 QCTQUXREZXBZJM-UHFFFAOYSA-N 319.298 2.856 0 40 DFAB Cc1ccc(Cl)cc1N1CCN(c2cccc[n+]2C)CC1 3357724 VXWYBVBPDPPDFM-UHFFFAOYSA-N 302.829 2.800 0 40 DFAB Cc1noc(C)c1C(=O)OCC(=O)NC1CCCCCCC1 28934278 SMXAEPJKRREEMP-UHFFFAOYSA-N 308.378 2.677 0 40 DFAB C[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2)CC1 21822271 QGRKVRYNHSZETA-QGZVFWFLSA-N 323.440 2.831 0 40 DFAB O=C(c1ccccn1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238837126 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315.442 2.947 0 40 DFAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1CC=CC1 97018148 MHJDVUVHUAFVCA-UHFFFAOYSA-N 309.312 2.734 0 40 DFAB C[C@H]1C(=O)N(CC2(O)CCCCC2)C(=O)N1c1ccccc1 71825048 BCGYDZMVHRXPKH-ZDUSSCGKSA-N 302.374 2.539 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 29094150 AGDTVWITUMAUNG-SJORKVTESA-N 302.393 2.672 0 40 DFAB C[C@@H](C1CC1)n1nccc1NC(=O)CN(C)C(=O)OC(C)(C)C 71886415 ORGSPBMIUZVFPK-NSHDSACASA-N 322.409 2.660 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cc2cccs2)n1 71870002 XKABFGJRRRNBAD-AWEZNQCLSA-N 303.431 2.795 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@@H](C)N(C)C 69463673 XHJSWAAXFUKAHW-LLVKDONJSA-N 303.431 2.798 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@@H]1CC[C@@H](C(=O)O)C1 97039265 QOEWGCQBXQRPSV-RKDXNWHRSA-N 301.795 2.704 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 69700193 BXFFTDFARZLZFD-MRXNPFEDSA-N 321.384 2.546 0 40 DFAB Cc1occc1C(=O)NCC(=O)N[C@H](CC(C)C)C(C)(C)C 71915904 DRECHNYDOQOHKN-CQSZACIVSA-N 308.422 2.895 0 40 DFAB O=C(/C=C/c1ccccn1)N1CCC(Nc2cccnc2)CC1 69846692 KIXQASMHZRIJKI-VOTSOKGWSA-N 308.385 2.593 0 40 DFAB C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 87313978 MXJSLVRIFKCTHG-UTUOFQBUSA-N 314.451 2.601 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)no1 8988328 TWNITWUUBWRKQD-UHFFFAOYSA-N 321.406 2.764 0 40 DFAB COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)cc1C 84150628 LRCHFUFVMJRVNA-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB CC(C)(C)C1CCC(CN2C[C@H](N3CCCC3)[C@H](O)C2)CC1 72308558 FHBWMANKXRPRIO-ZGUYJTEBSA-N 308.510 2.980 0 40 DFAB CC(=O)Nc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 72314437 ITHFNRSLUXGYKX-UHFFFAOYSA-N 320.437 2.697 0 40 DFAB COC[C@H]1CCN(C(=O)c2cccc(Br)c2C)C1 88445915 XIPHUMMFOASUPT-NSHDSACASA-N 312.207 2.866 0 40 DFAB CC(C)(C)n1ccnc1S[C@@H]1CCN(CC(F)(F)F)C1=O 95398440 STAFGKHLBWIKNL-SECBINFHSA-N 321.368 2.893 0 40 DFAB CCS(=O)(=O)c1ccc(CCC(=O)N2[C@H](C)CC[C@H]2C)cc1 95441323 NFZUELUKWJLRSM-ZIAGYGMSSA-N 323.458 2.812 0 40 DFAB CC[C@@H](NC(=O)N1c2ccccc2C[C@H]1C)c1noc(C)n1 95963101 ZUHZBNHMLSEBST-ZWNOBZJWSA-N 300.362 2.990 0 40 DFAB CCc1nncn1CCN[C@H]1CCCOc2cc(C)ccc21 95968729 PRUUYGQJKZPAOD-HNNXBMFYSA-N 300.406 2.652 0 40 DFAB COc1ncccc1NC(=O)N[C@@H](CCCO)c1ccccc1 75145503 YPCBPCDMYGBMND-AWEZNQCLSA-N 315.373 2.726 0 40 DFAB CCn1c(CNC(=O)c2oc3ccccc3c2C)n[nH]c1=S 75127852 KERFIFAUOWLYEL-UHFFFAOYSA-N 316.386 2.945 0 40 DFAB c1ccc([C@H]2C[C@H]2CNCc2cccnc2N2CCOCC2)cc1 89828036 AZYFDMNNWHJGKY-RBUKOAKNSA-N 323.440 2.812 0 40 DFAB O=c1c2cc(Cl)ccc2ncn1Cc1nnsc1Cl 27082534 IPXBSVYXWBYANN-UHFFFAOYSA-N 313.169 2.603 0 40 DFAB CC(C)C1(C(=O)N(C)c2nnc(-c3ccccc3)s2)COC1 1548451646 SVJCEWJKVCLUOQ-UHFFFAOYSA-N 317.414 2.841 0 40 DFAB Cc1noc(C)c1CCC(=O)N(C)Cc1nc2ccccc2[nH]1 29332654 WSELYPVDKCDDRU-UHFFFAOYSA-N 312.373 2.759 0 40 DFAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccccc1 33682035 NCIFUDDPOGDDKM-AWEZNQCLSA-N 316.382 2.510 0 40 DFAB CS[C@@H]1c2c(cc(=O)[nH]c2-c2cccc(C)c2)C(=O)N1C 62716515 IBSLAUZDQRSMMU-MRXNPFEDSA-N 300.383 2.798 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(OC)cc2)cc1 72228059 CTRQSKPGYWJLJE-IRXDYDNUSA-N 312.369 2.509 0 40 DFAB Cn1ccc2c(-c3ccc(C(=O)N4CCCC4)cn3)ccnc21 72145488 MTJNYXYQTBEBTM-UHFFFAOYSA-N 306.369 2.871 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCOCC1 225000915 RPQIACZTSDABKD-QGZVFWFLSA-N 303.402 2.582 0 40 DFAB C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](c1ccco1)N(C)C 40086497 QFTNIYNICAIPHE-IUODEOHRSA-N 320.364 2.605 0 40 DFAB CSc1ccc(C)c(C(=O)N2CCCC[C@@H]2CC(N)=O)c1 69596282 HDNZKSOUTXUJDR-GFCCVEGCSA-N 306.431 2.587 0 40 DFAB CC(C)OCCCNC(=O)c1ccccc1Br 40413214 CUMSKKYDWIXAAD-UHFFFAOYSA-N 300.196 2.994 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 69848696 RYGLBSYEBUBHQE-LBPRGKRZSA-N 306.797 2.904 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccnc1)[C@H]2C 96061983 FBMDDDLQRQRNIU-HNNXBMFYSA-N 313.449 2.695 0 40 DFAB c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)co1 96059015 VAVFSAZXWICILZ-UHFFFAOYSA-N 301.390 2.809 0 40 DFAB c1csc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)c1 96048546 BGAUJLZCNIIICF-HOCLYGCPSA-N 303.431 2.941 0 40 DFAB O=C(Cc1ccc(O)cc1Cl)NCC(=O)c1cccs1 97236670 FLQUUCHUEQWWKK-UHFFFAOYSA-N 309.774 2.649 0 40 DFAB C[C@@H]1SCCN(CCN2CCOC2=O)[C@H]1c1ccccc1 96411484 BSNBCADSKOJWGL-DZGCQCFKSA-N 306.431 2.617 0 40 DFAB O=C(Nc1ccccc1OC(F)(F)F)N[C@H]1CCC[C@@H]1CO 96433904 OPKSANNJFNLEIO-ZJUUUORDSA-N 318.295 2.868 0 40 DFAB COc1ccc(Nc2cc(C(=O)N3CCCC3)nc(C)n2)cc1 96182709 SDNVOPFDUXGOKM-UHFFFAOYSA-N 312.373 2.773 0 40 DFAB CN(C)C(=O)Nc1cccc(CNC(=O)c2ccsc2)c1 96423197 RVSJWFLRJBPEIO-UHFFFAOYSA-N 303.387 2.772 0 40 DFAB O=C(c1cccc(C(F)(F)F)c1O)N1CCCSCC1 581497134 LLHXRWOTYBZFCP-UHFFFAOYSA-N 305.321 2.990 0 40 DFAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H](OCC1CC1)CO2 96208987 PLEQIYCCUXQSCP-INIZCTEOSA-N 320.433 2.842 0 40 DFAB CSC1(CNC(=O)Cc2cccc(Cl)c2)CCOCC1 96425605 WLMOBZGXDPGUNO-UHFFFAOYSA-N 313.850 2.911 0 40 DFAB COCCN1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 96071796 XGHCVPMUJITSKV-UHFFFAOYSA-N 322.493 2.918 0 40 DFAB COC[C@H]1CN(C)CC12CCN(CCc1ccccc1)CC2 248157207 VYTMQAYAGONZKG-GOSISDBHSA-N 302.462 2.519 0 40 DFAB O[C@H](CN[C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 249257237 GTJAXYJRYRWSDP-MGPQQGTHSA-N 308.388 2.544 0 40 DFAB COC(=O)NCCCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 245289952 GHCVAYLPCJIDNY-FMKPAKJESA-N 318.417 2.916 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1 257250306 JLZITAKJFZZSAV-MRXNPFEDSA-N 312.417 2.937 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cnccn2)cc1F 257225207 FFHFEAVYFBCEJN-OAHLLOKOSA-N 315.348 2.531 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2ccncn2)C1 257226548 FLCLJOPPGSHOLD-HNNXBMFYSA-N 313.376 2.955 0 40 DFAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCCO1 27906582 PZCDIQCKUZIJTD-BMIGLBTASA-N 303.337 2.513 0 40 DFAB CC(C)(C)OC(=O)N(CCCNC(=O)c1ccco1)C1CC1 53913397 XNXQFBVJNUJQNB-UHFFFAOYSA-N 308.378 2.799 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)o1 40510464 FEANSJBVISBWQE-ZDUSSCGKSA-N 314.389 2.883 0 40 DFAB COCCn1cc(C(=O)Nc2ncccc2O)c2ccccc21 95373548 FJRWAJBDCBUTIE-UHFFFAOYSA-N 311.341 2.641 0 40 DFAB O=S(=O)(CCC[C@@H]1CC(F)(F)CN1)CCCC(F)(F)F 584645727 DEWXCAGCXZHYBX-SECBINFHSA-N 323.327 2.521 0 40 DFAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1 5459656 DNIJHTXTABZFJZ-LBPRGKRZSA-N 303.333 2.918 0 40 DFAB CCC(=O)N1CCN(c2ccc(-c3ccccc3C)nn2)CC1 13661967 CBJBCHKKJSFTIT-UHFFFAOYSA-N 310.401 2.511 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C[C@@H](C)O1 226301039 FHPYEFODRWTCTD-VXGBXAGGSA-N 300.358 2.778 0 40 DFAB O=C(Cc1cccs1)NCc1nc(C2CCSCC2)no1 575605705 GYIIHXWBXYQBFA-UHFFFAOYSA-N 323.443 2.601 0 40 DFAB O=S(=O)(NC1CCCCCC1)c1cccc2nsnc12 215207 FLUAABOAGSMUHI-UHFFFAOYSA-N 311.432 2.692 0 40 DFAB c1cc2c(N3CCC(c4nnc(C5CC5)o4)CC3)ncnc2cn1 1888898008 HTRHAOYOTOVWEA-UHFFFAOYSA-N 322.372 2.669 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccs1 24984881 JLACDBLBRMFCJW-HNNXBMFYSA-N 314.410 2.920 0 40 DFAB CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 83143 JWMZWJWNUFKZLY-UHFFFAOYSA-N 313.419 2.659 0 40 DFAB O=C(CCCS(=O)(=O)c1ccccc1)NCc1ccccc1 9912210 HXHVOMVAFWEJLK-UHFFFAOYSA-N 317.410 2.557 0 40 DFAB CC(C)[C@H](Cn1ccnn1)NC(=O)CCSc1ccccc1 575615114 BXIYTIQTVPVFPG-HNNXBMFYSA-N 318.446 2.601 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)on1)c1ccsc1 25815400 HZXMEOJTVIDDFJ-CYBMUJFWSA-N 305.403 2.646 0 40 DFAB COc1ccc(OC)c(Nc2nc(C)nc3c(C)nn(C)c23)c1 32650468 AGKUPLPGVMDRJW-UHFFFAOYSA-N 313.361 2.741 0 40 DFAB Cc1csc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1 30704240 AJZFFDZXSPCAQI-UHFFFAOYSA-N 307.444 2.784 0 40 DFAB O=C(CCCOCc1ccccc1)NC[C@H](O)c1ccccc1 51341477 AXHLNRBYEWZDHV-SFHVURJKSA-N 313.397 2.833 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)NC1CCCCCC1)NC(N)=O 32795574 JCGLEBYDEJPJBP-MRXNPFEDSA-N 317.433 2.934 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1cccnc1 32759120 QZPGMKKJIBSXRI-SECBINFHSA-N 314.769 2.914 0 40 DFAB COc1ccc(C(=O)N(C)CCOc2ccccc2C)c(O)c1 24220018 IFCQNCGSFNSUBJ-UHFFFAOYSA-N 315.369 2.860 0 40 DFAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NN)c23)CO1 543704 XJCVWRUMXMIOJC-CYBMUJFWSA-N 310.448 2.940 0 40 DFAB CCNC(=O)CN(CC)C(=O)c1ccc(Cl)cc1Cl 41819715 PGERHLRFIZBWKS-UHFFFAOYSA-N 303.189 2.592 0 40 DFAB COc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21 103461105 WYNCVXPMDKZZDH-KRWDZBQOSA-N 324.380 2.728 0 40 DFAB COc1ccc([C@H](CC(=O)NC2CCCCC2)NC(C)=O)cc1 22863978 CUQNRSRYMFQBMK-KRWDZBQOSA-N 318.417 2.711 0 40 DFAB NC(=O)CCOc1ccccc1NC(=O)N1CCCCCCC1 47876899 PYDCECLBDPLRFC-UHFFFAOYSA-N 319.405 2.739 0 40 DFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2ncncc2C1 96122758 MCTZEQTXWJTHFF-UHFFFAOYSA-N 323.274 2.574 0 40 DFAB CC(C)CC1=NN(C(=O)c2ccco2)[C@](O)(C(F)(F)F)C1 280399 SKZHRUFSZCGJCQ-GFCCVEGCSA-N 304.268 2.779 0 40 DFAB CC[C@H](Nc1cccc(NC(C)=O)c1)C(=O)Nc1cc(C)on1 24983356 WEOQYQQJDNMNJR-AWEZNQCLSA-N 316.361 2.771 0 40 DFAB COc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1 106779011 BZFBDMYYOCFZAQ-QZTJIDSGSA-N 316.445 2.713 0 40 DFAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccco1 78999361 OOBZKEOSRQZXAR-MRXNPFEDSA-N 302.374 2.853 0 40 DFAB CSc1ncc(Br)c(Sc2nccn2C)n1 1609230 KXFHORIIERFISM-UHFFFAOYSA-N 317.237 2.846 0 40 DFAB COP(=O)(OC)SCn1c(=O)oc2cc(Cl)cnc21 1999379 VNKBTWQZTQIWDV-UHFFFAOYSA-N 324.682 2.735 0 40 DFAB in-vitro CCCCNC(=O)CNc1cc(NC(=O)C2CC2)ccc1C 55849291 CPUXNYPMHWBNOB-UHFFFAOYSA-N 303.406 2.672 0 40 DFAB CNc1cc(N2CCC[C@@H]2CNc2nc3ccccc3o2)ncn1 107294891 XERYLTONNBVBQI-GFCCVEGCSA-N 324.388 2.740 0 40 DFAB C[C@@H](NC(=O)COC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2 6058055 BFAPTFJOKFCYBY-HDPALTEOSA-N 305.418 2.661 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)c2ccccc2O)c1C 57557875 MELVUISRCFOPAI-UHFFFAOYSA-N 300.358 2.685 0 40 DFAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)NCc2cccs2)n1 12603032 WXSINAHJYWUCES-VIFPVBQESA-N 310.448 2.787 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 8216336 FQIVRTDZRCZRSW-MRXNPFEDSA-N 308.381 2.664 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@@H]1c1ccccc1 57355438 MMGKWLVMRNRLOY-WBVHZDCISA-N 312.369 2.506 0 40 DFAB O=C1OCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 55104122 DILNHJJJENDRCD-ZDUSSCGKSA-N 307.777 2.584 0 40 DFAB CC1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1 27972416 WHBAMOUADZQUJM-UHFFFAOYSA-N 317.364 2.931 0 40 DFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cccnc1 9322048 QWNKGNJJBASUPP-AWEZNQCLSA-N 313.357 2.775 0 40 DFAB Cc1nc(CNC(=O)N[C@@H](C)CCc2ccc(O)cc2)cs1 45325909 HPWIWQOXHVJPAO-NSHDSACASA-N 319.430 2.978 0 40 DFAB CC[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O 2497364 KTMHUCNIMRYGCF-LBPRGKRZSA-N 316.386 2.742 0 40 DFAB O=C(NCCc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 24049734 LDKNYJFKSFSXNC-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB O=C(Nc1ccc(-n2cncn2)nc1)C12CC3CC(CC(C3)C1)C2 29272140 HCHJSDYKPNYCIZ-UHFFFAOYSA-N 323.400 2.817 0 40 DFAB O=C(Nc1ncc(Cl)cc1Cl)c1cc2ncccn2n1 2788215 HDCDCLFMFGNAKG-UHFFFAOYSA-N 308.128 2.683 0 40 DFAB CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C(N)=O 2749200 CQBOOCUJHLICSG-UHFFFAOYSA-N 302.399 2.899 0 40 DFAB Cn1cc(CCOC(=O)[C@@H]2SCCc3ccccc32)cn1 95404993 ZDAFUWGHFPUVEH-OAHLLOKOSA-N 302.399 2.536 0 40 DFAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCCCCCC1 47054624 QYVSYAHCLOYBOG-UHFFFAOYSA-N 317.414 2.618 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1 47202374 QTADCFSQPLZXMY-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB Cc1cncc(C(=O)O[C@@H](Cn2cncn2)c2ccccc2)c1 95426585 MSCJLZKWLNSHLY-INIZCTEOSA-N 308.341 2.580 0 40 DFAB CC[C@@H](NC[C@@H]1COc2ccccc2O1)c1c(C)nn(C)c1C 95419278 PQKZKEKOSMVYSG-HUUCEWRRSA-N 315.417 2.918 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 48243949 PBQQXECKUJUNSU-ZYHUDNBSSA-N 306.793 2.608 0 40 DFAB Cc1noc(C)c1CNC(=O)C[C@H](C)C(=O)c1cccc(F)c1 73074803 HYXJTRCIBMBGMK-JTQLQIEISA-N 318.348 2.956 0 40 DFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(F)c2)C1 12855103 HUNOJDNSJMXOIZ-LBPRGKRZSA-N 308.353 2.941 0 40 DFAB Cc1c(CNc2nnc(Cc3ccc(F)cc3)s2)cnn1C 95992350 VZGXKKZVXJITBM-UHFFFAOYSA-N 317.393 2.922 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1)c1ccccc1-n1cccc1 20744732 FVPLQKVGXIVZKK-GOSISDBHSA-N 306.365 2.941 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)c(C)c1 20144038 LBQCGVULLGWVJD-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB O=C(O)c1[nH]c2cccc(F)c2c1I 62709377 ZJSGQKWGFOKNHP-UHFFFAOYSA-N 305.046 2.610 0 40 DFAB in-vitro Nc1nc(CCN2CCCC2)nc2sc3c(c12)CCCC3 9379113 WRTFNPGABIEQKK-UHFFFAOYSA-N 302.447 2.791 0 40 DFAB CC/C=C(\C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 96294979 OARNVQRFTBIAAE-FRKPEAEDSA-N 315.461 2.903 0 40 DFAB CCONC(=O)c1[nH]nc(-c2ccccc2)c1Br 49346273 OHINXEFAVPREQH-UHFFFAOYSA-N 310.151 2.521 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)o1 6028939 ISQKOXINOZMTDW-LLVKDONJSA-N 301.327 2.626 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccsc1)c1cc(F)ccc1F 65492153 AHEZVZKGGNTUEZ-GFCCVEGCSA-N 311.309 2.670 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCOc2c(F)cccc21 65487957 ZLROLKRDLYYKKU-HNNXBMFYSA-N 318.396 2.547 0 40 DFAB CCOc1ccc(C(=O)OCc2csc(NC(C)=O)n2)cc1 14014587 FACCBZSCRHSUAH-UHFFFAOYSA-N 320.370 2.857 0 40 DFAB CNC(=O)c1cnc(/C=C/c2ccc(OC)c(OC)c2)s1 65593985 NTYABZTUSDRGKN-FNORWQNLSA-N 304.371 2.690 0 40 DFAB Cc1cc(CN[C@@H](C(=O)N2CCCCC2)c2ccccc2)no1 71828276 GAPUEGXSUWCYPA-QGZVFWFLSA-N 313.401 2.826 0 40 DFAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@H]3C(C)C)c2n1 71829965 RSKCKMXPXVUHFW-AWEZNQCLSA-N 300.406 2.915 0 40 DFAB Cc1cc(C)n(C(=O)Cc2nnc(-c3ccc(C)s3)o2)n1 67341879 BQEGMNGMUSUGGN-UHFFFAOYSA-N 302.359 2.803 0 40 DFAB O=C(COC(=O)CCc1ccc(-c2ccccc2)o1)NC1CC1 7293377 OXLZDLAKLCOFFZ-UHFFFAOYSA-N 313.353 2.701 0 40 DFAB O=C(CN1CCCCCC1)Nc1ccc(N2CCCC2=O)cc1 7339621 ZFAABALXZARMCZ-UHFFFAOYSA-N 315.417 2.628 0 40 DFAB Cc1ccc(C)c(C(=O)OCC(=O)NCCc2ccccc2)c1 7439517 UGBWVBIEYJZYBN-UHFFFAOYSA-N 311.381 2.819 0 40 DFAB Cc1cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)no1 7726297 QKAVPDCZZJKLBV-UHFFFAOYSA-N 315.329 2.810 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 28244717 USQBDHBRKOSLJT-SECBINFHSA-N 315.299 2.626 0 40 DFAB COc1ccccc1NC(=O)Cn1sc2ccccc2c1=O 7982655 HJNKFKAXKWGRQL-UHFFFAOYSA-N 314.366 2.710 0 40 DFAB NC(=O)c1ccc(COC(=O)c2ccc(F)cc2Cl)cc1 16753168 XDAHYQWKTJENJF-UHFFFAOYSA-N 307.708 2.935 0 40 DFAB CN(C)[C@@H](CNCc1nc(C2CC2)no1)c1ccccc1Cl 69157742 PNCBZEAIFYWJLV-AWEZNQCLSA-N 320.824 2.993 0 40 DFAB CN(C)Cc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 17319381 CJFMAKVGBIJHEI-UHFFFAOYSA-N 312.413 2.809 0 40 DFAB in-vitro Cc1nn(CC(C)C)c(Cl)c1C(=O)N1C[C@H](C)O[C@H](C)C1 17325317 DFBURWBAUIWPGB-PHIMTYICSA-N 313.829 2.750 0 40 DFAB O=C(CC1=CCCCC1)N[C@H]1CCCN(c2cccnc2)C1=O 97086393 ZFDHIKDQJDYZEI-INIZCTEOSA-N 313.401 2.584 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 95992012 MGWHVJTYESANMB-AWEZNQCLSA-N 314.385 2.745 0 40 DFAB Cc1ccc(O)c(C(=O)OCC(=O)NC2CCCCCC2)c1 9097589 PAIWDWHNAMKMBJ-UHFFFAOYSA-N 305.374 2.696 0 40 DFAB NC(=O)c1cnc(N[C@H]2CCO[C@@H]2c2ccccc2)c(Cl)c1 75092170 GNAUZJNCDIOHAS-UONOGXRCSA-N 317.776 2.776 0 40 DFAB Cc1cc(=O)[nH]cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 75109117 LVNIEPRBAIVRAW-SECBINFHSA-N 307.300 2.844 0 40 DFAB Cc1ccc(C[C@@H](C)NC(=O)c2cc(C(N)=O)cs2)s1 75143393 GYZMYJZILMUCJH-MRVPVSSYSA-N 308.428 2.578 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)CC1 89802055 VTCRVSJDNVECSS-GDBMZVCRSA-N 306.450 2.672 0 40 DFAB CCNC(=O)C1CCN([C@H]2CCc3c(F)ccc(F)c32)CC1 89977390 ILXFQAMOPAEKEL-HNNXBMFYSA-N 308.372 2.800 0 40 DFAB CCCc1nn2c(=O)cc(COc3ccccc3C)nc2s1 20859077 AVNWYUDPTADLHR-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB CN(C)c1ncccc1C(=O)NCCc1ccc(Cl)cc1 36175606 XQUUYWWOQZGXBQ-UHFFFAOYSA-N 303.793 2.774 0 40 DFAB CCOc1cc(CNc2cncc(-n3nc(C)cc3C)n2)ccn1 78979704 ZZUXVERXSRWTFO-UHFFFAOYSA-N 324.388 2.685 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)no1 33936555 LEPHACLGRCVKFM-OCCSQVGLSA-N 313.357 2.531 0 40 DFAB Cc1ccccc1N1CCN(C[C@@H](O)Cc2ccccc2)CC1 31947029 GNSWLXANORETEF-IBGZPJMESA-N 310.441 2.721 0 40 DFAB O=c1c2ccccc2nnn1Cc1cc(F)cc2cccnc12 31608423 HEQFBDJCFRNDBT-UHFFFAOYSA-N 306.300 2.527 0 40 DFAB O=C(Cc1noc2ccccc12)Nc1nc2c(s1)COCC2 75442155 OGJLQQKCRDXZFD-UHFFFAOYSA-N 315.354 2.538 0 40 DFAB O=C(N[C@H]1CCCCC[C@@H]1CO)c1c(F)ccc(F)c1F 195567565 OGIUGXWIIKYDBE-SKDRFNHKSA-N 301.308 2.775 0 40 DFAB CO[C@H]1CC[C@@H](NC(=O)NC2CCN(c3ccccc3)CC2)C1 191801533 GZSBWOZDVCKFNE-WBVHZDCISA-N 317.433 2.522 0 40 DFAB COc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 225479812 FPDOAJDEKSSKOR-HOCLYGCPSA-N 324.380 2.669 0 40 DFAB biogenic,in-vitro Fc1cccnc1O[C@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 96187210 SREZYDXVQIGGHI-PMPSAXMXSA-N 318.348 2.625 0 40 DFAB COCCC1(CNC(=O)NCc2ncc(C)s2)CCCC1 96473474 MCEAQYLYPLYUEB-UHFFFAOYSA-N 311.451 2.848 0 40 DFAB Cc1ccc(NC(=O)COC2CCCC2)c(OCCN(C)C)c1 96414008 FSBBKDVWJAWGOR-UHFFFAOYSA-N 320.433 2.833 0 40 DFAB O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)[C@@H]1CCOC1 96449801 WCVZTXLXVPUTIQ-SNVBAGLBSA-N 324.283 2.918 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc[nH]2)cc1 583615999 ANJHQYVEZQKIDI-WMZOPIPTSA-N 314.385 2.536 0 40 DFAB O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2noc(C3CC3)n2)C1 583615489 BYYLSIPMYIIIQI-SMDDNHRTSA-N 321.327 2.533 0 40 DFAB Cc1nc(C)c(-c2nn3c(C(F)(F)F)nnc3s2)s1 95475644 PNUCBPNGXCMRPZ-UHFFFAOYSA-N 305.310 2.945 0 40 DFAB CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(F)cc1Cl 96450899 LLEIKRUUBHBPAV-AWEZNQCLSA-N 301.745 2.941 0 40 DFAB CCOCCN1CCN(C(=O)Nc2ccccc2C)C[C@@H]1CC 97098808 NMJVIQMWRPTXOQ-INIZCTEOSA-N 319.449 2.960 0 40 DFAB CO[C@@H](C(=O)NC[C@H](O)c1ccccc1Cl)c1ccccc1 96420002 VCJJTDSJUKKAHC-JKSUJKDBSA-N 319.788 2.877 0 40 DFAB Cc1nc(C)c(CNC(=O)CCc2ccc(C(=O)O)cc2)s1 96479828 GHNLMZNKKUGTDU-UHFFFAOYSA-N 318.398 2.707 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 245312416 JCCXXQPYVVCUHA-RBSFLKMASA-N 318.417 2.609 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)O)[C@H]2c2ccccc2)cc1 242620186 PXBKHZFENFUAOZ-OAGGEKHMSA-N 316.378 2.636 0 40 DFAB COC[C@H]1CCN(C)C2(C1)CN(Cc1cccc3[nH]ccc13)C2 248121835 KLIRODOINUSJPX-HNNXBMFYSA-N 313.445 2.711 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257230422 GCGCIGDIKOACRQ-GFCCVEGCSA-N 304.419 2.698 0 40 DFAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c1 256048840 WOEBCDYJBKMUTR-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 257204298 ATWYMNNIKLLJGQ-MPGHIAIKSA-N 317.433 2.591 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 257336690 YPPGFGLSHUYBFH-OAHLLOKOSA-N 313.401 2.869 0 40 DFAB O=S(=O)(C1CCCC1)N1CCC(Cc2ccncc2)CC1 257254847 KEXRIAURWDGNPY-UHFFFAOYSA-N 308.447 2.609 0 40 DFAB CC1(C)OB(c2c(C=O)cccc2C(F)(F)F)OC1(C)C 381954173 DOVZVPBCBNJCRP-UHFFFAOYSA-N 300.085 2.817 0 40 DFAB Cc1csc(C(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)c1 96362176 ZXKYWGSTRLFIIU-HNNXBMFYSA-N 316.426 2.512 0 40 DFAB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 585102407 IKGCYRZZSDYGTG-MRXNPFEDSA-N 320.408 2.541 0 40 DFAB CO[C@@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1F 585277621 JJEKKRUQASZHLP-RHSMWYFYSA-N 303.381 2.628 0 40 DFAB Cc1ccc(CN(C(=O)N[C@H](C)Cn2cccn2)C2CC2)o1 46463978 GYSMTDXYJBZLFG-GFCCVEGCSA-N 302.378 2.547 0 40 DFAB C[C@](O)(CNC(=O)c1ccc2ncsc2c1)c1ccco1 173653730 XBDHLBNNYVFMKI-HNNXBMFYSA-N 302.355 2.527 0 40 DFAB CCN1C[C@@H](CN(C)C(=O)c2ccoc2)Oc2ccccc21 40475734 XSSWINZMNJJZHW-CQSZACIVSA-N 300.358 2.639 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCO[C@H]2CCCC[C@H]21 84576753 WHWZNXODZYZVEL-WBVHZDCISA-N 311.385 2.656 0 40 DFAB CCS(=O)(=O)c1cccc(NC(=O)CCCn2cccc2)c1 84811670 AKFLUYMGQKQOSC-UHFFFAOYSA-N 320.414 2.701 0 40 DFAB CCS[C@H]1CCCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 84812031 KDQUYTUGGPULCM-LBPRGKRZSA-N 319.430 2.604 0 40 DFAB CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C2(C)OCCO2)C1 96010057 HAMGQDAMZCYPRL-ILXRZTDVSA-N 310.438 2.750 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2cc(C)on2)c(OC)c1 42310610 IHSNIEWYBIFRRY-SNVBAGLBSA-N 305.334 2.883 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1C 825145649 MENYCBMQLMUQRO-UHFFFAOYSA-N 322.474 2.552 0 40 DFAB C[C@H](C[S@@](C)=O)N(C)Cc1cccc(Br)c1 95940832 DCHKYDOCUVJIAV-HWPZZCPQSA-N 304.253 2.648 0 40 DFAB O[C@@](CNc1ncnc2cnccc12)(c1cccs1)C1CC1 1775972835 YCARIJGXTDBMKV-MRXNPFEDSA-N 312.398 2.796 0 40 DFAB C[C@@H](O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 12383698 FVCMFOLIVJPKLR-AFBMGJRZSA-N 317.385 2.800 0 40 DFAB CCCNC(=S)N1CCC(n2cnc3ccccc32)CC1 13598931 XCYKMJSLPINMKN-UHFFFAOYSA-N 302.447 2.958 0 40 DFAB CCOC(=O)c1cn2nc(-c3ccc(Cl)cc3)nc2nc1C 14165275 GLSMNYFCXQHCMJ-UHFFFAOYSA-N 316.748 2.930 0 40 DFAB Oc1nc(-c2cccnc2)nc2c1CCN(C[C@H]1CC=CCC1)C2 19340027 IRGBHZOQDRZTIL-AWEZNQCLSA-N 322.412 2.959 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(c3nc4ccccc4[nH]3)C2)nc1 1888913252 KNNLKUUQWHERQA-AWEZNQCLSA-N 322.416 2.767 0 40 DFAB Cc1ccc(Cc2nnc(Nc3ccc(F)cc3)[nH]c2=O)cc1 5154408 NCORNZMMYBWGGO-UHFFFAOYSA-N 310.332 2.947 0 40 DFAB O=C1O[C@H]2[C@H]3C[C@H]([C@@H]2Sc2ccc(Cl)cc2)[C@@H](C(=O)O)[C@@H]13 100224413 YEQLLKPKQRZMFA-QPHKQPEJSA-N 324.785 2.693 0 40 DFAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccoc2)CC1 30774847 JSYVVPRMFHOPLV-UHFFFAOYSA-N 316.332 2.910 0 40 DFAB O=C(CCOc1cccc(Cl)c1)NCCc1ccccn1 40516202 TWZFETPXRCVVSU-UHFFFAOYSA-N 304.777 2.863 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3C)nn2)cc1 31743521 GHAYSGXVSCOLJU-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB COc1ccc([C@@H]2C=C(c3cccnc3)Nc3ncnn32)cc1 101353375 VIDXSCDLIMJNED-INIZCTEOSA-N 305.341 2.738 0 40 DFAB NC(=O)c1ccccc1NCc1cn2cc(Cl)ccc2n1 32819312 YMXFNGKHOUCPCO-UHFFFAOYSA-N 300.749 2.699 0 40 DFAB COc1cc(CNC(=O)CCc2cc(F)ccc2F)ccc1O 53800947 QLMHOGFCPMQMGB-UHFFFAOYSA-N 321.323 2.928 0 40 DFAB CC(C)Oc1ncc(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1Cl 53386221 GVVQDWOVJOGCIK-KBPBESRZSA-N 324.808 2.916 0 40 DFAB COc1cc2nc(NC(=O)C3CCOCC3)sc2cc1OC 22876511 HMGQSBXDSCZFBI-UHFFFAOYSA-N 322.386 2.679 0 40 DFAB Cc1csc(N(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 40548848 WDLUCFJPOHMPNG-NSHDSACASA-N 319.361 2.679 0 40 DFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccoc2)c1 40541779 QMJZFUNMJBDMSG-GFCCVEGCSA-N 300.358 2.738 0 40 DFAB Cc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1 224795 SQFDXVKJRUOIGZ-UHFFFAOYSA-N 309.431 2.608 0 40 DFAB CC(C)[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC(C)(C)C 4898618 BLNRCLVXBGUIFJ-LBPRGKRZSA-N 312.797 2.831 0 40 DFAB Cc1ccoc1C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 29083520 BFHOQBVLEKCSGE-CQSZACIVSA-N 313.332 2.980 0 40 DFAB CCOCCCNc1ncnc2c1cnn2-c1ccc(C)cc1 20662058 SUJXFCYQLPXPAW-UHFFFAOYSA-N 311.389 2.962 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101801275 WRQTWCDGJCBJIG-CKEIUWERSA-N 300.402 2.898 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)cc1 21150750 YAHQJINUBQVUFH-INIZCTEOSA-N 322.368 2.715 0 40 DFAB O=C(CSc1nccn1C1CC1)Nc1cccnc1Cl 11892133 YJCBLCBZIJOSGZ-UHFFFAOYSA-N 308.794 2.997 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1 2654330 VIQBWXIQEBPZGU-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB aggregator CNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1C 41424728 KUXJPOUKXTVNIA-UHFFFAOYSA-N 306.309 2.546 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Br)o1 509180 CKEYUQOAAHDHRM-UHFFFAOYSA-N 320.146 2.848 0 40 DFAB O=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccccc1 547235 BCCUXYKDINCFTA-UHFFFAOYSA-N 316.788 2.663 0 40 DFAB Cc1cccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCC4)c1 547222 AVRGMLZQCLZJAZ-UHFFFAOYSA-N 322.393 2.892 0 40 DFAB CN(C)c1ccccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 41825946 DICBFAYHUGUXRW-QGZVFWFLSA-N 309.369 2.884 0 40 DFAB O=C(c1nc(O)c2ccccc2n1)N1CC[C@H](c2ccccc2)C1 22467905 VWVRTTXFJIOOQB-AWEZNQCLSA-N 319.364 2.965 0 40 DFAB O=C(NC1CCCCC1)c1nc(N2CCCC2)ncc1Cl 47535268 XQHJCCUEKPGDNJ-UHFFFAOYSA-N 308.813 2.793 0 40 DFAB Fc1cccc(CN2CCN(Cc3ccccn3)CC2)c1F 54187185 WUOOEGRWAKBAJM-UHFFFAOYSA-N 303.356 2.678 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@@H]1C 42403508 YMOAMFXQSUYLGU-XOUADPBQSA-N 306.450 2.576 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)o1 102747024 WAAZSQYSDMVWRB-DARAHFNDSA-N 301.386 2.954 0 40 DFAB CCNC(=O)c1cccc(NC(=O)COc2ccccc2F)c1 8744712 CKSUBCXPWDZVCJ-UHFFFAOYSA-N 316.332 2.593 0 40 DFAB COc1ccccc1[C@@H](C)N(C)CC(=O)N(C)Cc1ccco1 47887826 OUKVECSMKJDFJX-CQSZACIVSA-N 316.401 2.940 0 40 DFAB O=C(CC1=CCCCC1)Nc1ccc(N2CCOCC2)cn1 106736198 UODMFQOCLLMEMR-UHFFFAOYSA-N 301.390 2.747 0 40 DFAB O=C(NCCC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccsc1 25189522 TVIASZZFNPBSMU-KGLIPLIRSA-N 320.458 2.907 0 40 DFAB COc1ccccc1OCC(=O)NCC1(c2cccs2)CC1 22680354 JZDGNLYBOKSWJB-UHFFFAOYSA-N 317.410 2.984 0 40 DFAB O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O 3272495 XHIICVULNCIMNT-UHFFFAOYSA-N 313.353 2.715 0 40 DFAB CC12C[C@@H](c3cccc(Oc4ccccc4)c3)C(C(=O)N1)C(=O)N2 62001784 BOUDATYUJRTGLN-LYGPFTKASA-N 322.364 2.545 0 40 DFAB biogenic Cc1cc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)no1 12624059 CHYZAGLHVPJNGY-UHFFFAOYSA-N 314.263 2.697 0 40 DFAB CCc1nnc(NC(=O)c2ccc(-n3nccc3C)cc2)s1 7921396 LMUZVGMOWGWWDM-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB CC(=O)N1CCN(C(=O)c2sc3cccc(F)c3c2C)CC1 27476449 VPIIYCANLBXBBK-UHFFFAOYSA-N 320.389 2.653 0 40 DFAB O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)NC1CCCC1 58135695 TYCYCKGNVCPGTD-QGZVFWFLSA-N 320.408 2.648 0 40 DFAB CCn1c(=O)n(CCC(=O)Nc2ccccc2)c2ccccc21 10403077 UFMPWAMGZLZHFZ-UHFFFAOYSA-N 309.369 2.852 0 40 DFAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccnc1 48344299 HIBRRJLBHLNZBZ-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C)c(C)s1 91042980 RJHCMXQNCRJQTG-NWDGAFQWSA-N 303.449 2.601 0 40 DFAB CSc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 12986235 ISQDSJLHEHRFPC-UHFFFAOYSA-N 317.414 2.680 0 40 DFAB CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H](C)C2)c1 48505387 RPZSYSWHEDDPGR-JTQLQIEISA-N 309.797 2.963 0 40 DFAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 13042407 QMEFDKSKEOERQY-LBPRGKRZSA-N 311.385 2.787 0 40 DFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ccccc21 63850269 RTRABVBKKUXONU-DOTOQJQBSA-N 306.365 2.916 0 40 DFAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1C[C@@H]1CCCO1 13655720 OCCDFJFHTRHWQA-VIFPVBQESA-N 303.749 2.710 0 40 DFAB CN(c1ncnc2ccccc12)[C@H]1CCCN(c2cccnn2)C1 70006649 JZUGVHNYCORLNC-AWEZNQCLSA-N 320.400 2.525 0 40 DFAB CC(C)(CNC(=O)c1cc2ccccc2s1)N1CCOCC1 14069460 YHVCLIZMFROFTI-UHFFFAOYSA-N 318.442 2.742 0 40 DFAB O=c1c2ccccc2cnn1Cc1nnc(-c2cccs2)o1 8393357 USZQSUBFJOHHQK-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB O=C(Nc1cccc(I)c1)c1ccncc1 5443526 KVVQUHQSPHAIST-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(F)cc1F 6588891 KMJZLGGNRAYQCC-JTQLQIEISA-N 312.341 2.532 0 40 DFAB CNc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 4600028 PGBMRXHGQUSADE-UHFFFAOYSA-N 312.192 2.761 0 40 DFAB COC(=O)N1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 66364713 JVOAYRYYIMHCIE-OAHLLOKOSA-N 323.437 2.581 0 40 DFAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976169 NVBFYQBEUZJKIJ-AWEZNQCLSA-N 320.408 2.522 0 40 DFAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c(F)c1 67298385 NYPTWKJEIYUIFC-JZJYNLBNSA-N 312.300 2.917 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 27974311 HRKOOCOWRDAFNL-NSHDSACASA-N 300.314 2.525 0 40 DFAB Cc1nc(-c2ccc(F)cc2)cc(N2CCC(C(=O)O)CC2)n1 70458552 STZNEMXTQSLQSL-UHFFFAOYSA-N 315.348 2.892 0 40 DFAB O=C(Oc1cccc(-n2cnnn2)c1)C12CC3CC(CC(C3)C1)C2 15838985 YHBUVQCUUDZKDA-UHFFFAOYSA-N 324.384 2.784 0 40 DFAB CC(=O)Nc1cc(NC(=O)CC2(C(=O)O)CCCC2)ccc1C 71808771 LHUPTYUKOVPKTJ-UHFFFAOYSA-N 318.373 2.927 0 40 DFAB CCSc1ccc([C@@H](C)NC(=O)NCC(C)(C)C(N)=O)cc1 71803444 HOMSLLHFKGNVDG-LLVKDONJSA-N 323.462 2.670 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)c1cccnc1Cl 20143545 UPZIARKLHIELLN-UHFFFAOYSA-N 306.705 2.694 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2cccc3c2OCCO3)c1 71875991 LRCGUPIKHWEBMK-MRXNPFEDSA-N 313.401 2.627 0 40 DFAB C[C@@H]1CCN(C(=O)c2cccc[n+]2[O-])c2ccccc2S1 71819735 PKOWZHYKGYHPQK-GFCCVEGCSA-N 300.383 2.851 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccccc1F 19902278 LMCVMHPUOOZDCV-UHFFFAOYSA-N 320.408 2.591 0 40 DFAB Cc1ccc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)cc1 9611222 JETNEUIAYKCWKR-UHFFFAOYSA-N 313.382 2.717 0 40 DFAB CC(=O)Nc1cccc(NC(=O)NC[C@](C)(O)CCC(C)C)c1 71921094 CEZDLHLCKLODBV-QGZVFWFLSA-N 321.421 2.954 0 40 DFAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@H](N2CCCC2)C1 89774890 BHIIXFCZWKZZDX-GVDBMIGSSA-N 302.393 2.626 0 40 DFAB C[C@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@@H]1CCCO1 89904280 LJJRVYYSMWEEGQ-OLZOCXBDSA-N 317.476 2.510 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 72281028 RHTQHCZQHVOGOX-MRXNPFEDSA-N 315.373 2.616 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cccn2C)n1 72279942 IYDKUDHTJADGCE-OAHLLOKOSA-N 300.406 2.533 0 40 DFAB CCCn1c(C)nnc1CN[C@@H](C)c1ccc2c(c1)OCCO2 97033012 KEHITLPOCGIPSR-LBPRGKRZSA-N 316.405 2.619 0 40 DFAB Cc1cc(F)ccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97162059 MQHVZDKSDVTLFM-UHFFFAOYSA-N 314.364 2.868 0 40 DFAB c1ccc2c(c1)CCC[C@@H]2[C@H]1CCCN1c1ccc2nnnn2n1 72313509 GTQHTJLNYYWXGR-JKSUJKDBSA-N 320.400 2.608 0 40 DFAB COc1c(CNc2nnc(C3CCCCC3)o2)c(C)nn1C 97231680 CLLGUYWLYQDRRB-UHFFFAOYSA-N 305.382 2.780 0 40 DFAB Cc1noc(C)c1CCNC(=O)Nc1cc(C2CCC2)nn1C 95418846 UQPQGTVUCWCUPB-UHFFFAOYSA-N 317.393 2.657 0 40 DFAB O=C(NCCC1=CCCC1)N1CCCN(CC(F)(F)F)CC1 95435540 YLEXPSVCFOELJJ-UHFFFAOYSA-N 319.371 2.766 0 40 DFAB COc1ccc(-c2nc(CN3CCOCC3)sc2C)cc1 78594741 IYUHYBJRNKSOOX-UHFFFAOYSA-N 304.415 2.959 0 40 DFAB O=C(Cc1cccc(O)c1)NC[C@@H]1CCO[C@H]1c1ccccc1 98014499 REKXNLVSWQNKFR-LPHOPBHVSA-N 311.381 2.829 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)ccc2F)c1 78714034 VCKKWNFZSHRPSA-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1csc(C2CC2)n1 95980485 HFSQJKUXOUOWML-CQSZACIVSA-N 318.446 2.934 0 40 DFAB CN1CCC[C@@H]2CN(c3ccc(Br)cn3)CC[C@@H]21 89375378 LKLHMKATGCRTMZ-YPMHNXCESA-N 310.239 2.765 0 40 DFAB COc1nscc1CN(C)c1nc(C)cc(C(F)(F)F)n1 1548524446 KZYZKUYJQGXACO-UHFFFAOYSA-N 318.324 2.905 0 40 DFAB O=S(=O)(Nc1cccc2cc[nH]c12)c1c[nH]c2ncccc12 548477685 FJEYCGRQVUVIAZ-UHFFFAOYSA-N 312.354 2.845 0 40 DFAB O=C(C1=CCCC1)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 306141391 VUGTVOZIIJLAKF-KRWDZBQOSA-N 315.417 2.693 0 40 DFAB Cc1noc(-c2ccnc(N[C@H]3CCN(C(C)(C)C)C3)c2)n1 1506421719 MAHQLTIHVDRZBQ-ZDUSSCGKSA-N 301.394 2.725 0 40 DFAB C[C@H](CC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)c1cccnc1 548668026 SDHIHYQVHDAUMQ-RPVQJOFSSA-N 311.385 2.617 0 40 DFAB C[C@@H]1OCC[C@@H]1c1nc(Cc2ccc(C(F)(F)F)nc2)no1 528249513 CZRJACPWEMAFEU-WPRPVWTQSA-N 313.279 2.967 0 40 DFAB CC1(C)[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@@H]2CCO[C@@H]21 78156952 IICHZBYEHOTYAX-KKUMJFAQSA-N 303.377 2.787 0 40 DFAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1 79043333 BFVHEKFYLTUQHC-JQWIXIFHSA-N 315.772 2.932 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CCCOCc1ccccc1)C(=O)O 39176482 SLSGDJMDQHCUBN-AWEZNQCLSA-N 323.389 2.961 0 40 DFAB CCc1sc(-n2cccc2)nc1C(=O)NCc1ccccn1 1565524289 HSCYSFZHVLPOCA-UHFFFAOYSA-N 312.398 2.821 0 40 DFAB CCn1c(Cl)nc2cc(C(=O)NCc3cccn3C)ccc21 222557543 VARGEHXBGJLVBE-UHFFFAOYSA-N 316.792 2.978 0 40 DFAB CCCOc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 192679445 SDYWPCRJHQDYAD-UHFFFAOYSA-N 304.390 2.863 0 40 DFAB CC(C)Sc1ccc(CC(=O)NCCc2cncnc2)cc1 225589259 ITOYOCSBSUKLJD-UHFFFAOYSA-N 315.442 2.879 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCCOC2)c1 80083918 SPXPIAINPFYXGH-GFCCVEGCSA-N 322.380 2.719 0 40 DFAB CCOC(=O)[C@H](Sc1nc(C)cc(N)n1)c1ccccc1 192974132 HZDUMAJXEDZOOK-CYBMUJFWSA-N 303.387 2.764 0 40 DFAB Cn1nc2c(c1CNC(=O)c1ccc(F)cc1Cl)CCC2 225817436 VYUVDTVAWGSAJY-UHFFFAOYSA-N 307.756 2.631 0 40 DFAB CCCN(C)C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 81361772 GCDDKYCNDDMDPD-NVXWUHKLSA-N 316.445 2.743 0 40 DFAB Clc1cc(N[C@@H]2CCCOC2)ccc1CN1CCOCC1 195560537 YNDJXGQDSUGZND-OAHLLOKOSA-N 310.825 2.763 0 40 DFAB C[C@H](N[C@H]1CCN2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F 195545551 YDMLKFFQWJASGX-APNQJHFZSA-N 310.388 2.603 0 40 DFAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910667 LRXNOXPXPCWKRY-AWEZNQCLSA-N 322.424 2.971 0 40 DFAB c1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1 96214897 KBFZZBMOGMNLIJ-GOSISDBHSA-N 309.417 2.507 0 40 DFAB COCCNc1ccccc1CNC(=O)c1cc(Cl)c[nH]1 96475910 UQDMEMKETWRWCG-UHFFFAOYSA-N 307.781 2.656 0 40 DFAB Cc1cc(C[C@H](C)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 90534044 QCYWKOBFIDECJS-JSGCOSHPSA-N 324.432 2.889 0 40 DFAB O=C(c1cccs1)N1CCC2(CC1)C[C@H](OCC1CC1)CO2 96220450 RWJNHKNKURBPHF-AWEZNQCLSA-N 321.442 2.938 0 40 DFAB Cc1ncccc1C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 96408972 DZDHKAFPYKZZHO-KRWDZBQOSA-N 314.385 2.641 0 40 DFAB Cc1ccc(OC2CCN(C(=O)Cc3ccon3)CC2)cc1 332262723 FCYHDBODYPYAIH-UHFFFAOYSA-N 300.358 2.596 0 40 DFAB O=C(c1cccc2nn[nH]c12)N1CCC[C@H]1COc1ccccc1 97103928 OYKZLBXYUVAZCZ-ZDUSSCGKSA-N 322.368 2.642 0 40 DFAB CSC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96440462 OCQBVMBRBOLTRU-OLZOCXBDSA-N 318.446 2.984 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC[C@H]1CO 96500292 LJRFGNXIVZHXRQ-VIFPVBQESA-N 320.723 2.930 0 40 DFAB N#[N+]Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cn1 95479349 WSMJRECLKWGKKO-UHFFFAOYSA-O 307.337 2.715 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCC[C@@H](c2ccncn2)C1 257202022 AKDTTXOTEQEHNC-OAHLLOKOSA-N 313.376 2.955 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cccc3cccnc23)C1 257248592 JEIGZYSMVOXYEX-CQSZACIVSA-N 306.369 2.896 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253472393 LZYLKVSEWUZSID-CQSZACIVSA-N 321.384 2.724 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@@H](c2cccs2)N1 252516874 XMMRDVWAEOSRGS-DZGBDDFRSA-N 300.383 2.814 0 40 DFAB Cc1cc(N(C)C)cc([C@H]2CCN(Cc3cc(C)on3)C2)n1 257207241 BGZHPGIDMBUCCH-AWEZNQCLSA-N 300.406 2.742 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 257222138 DSCGUCGZDGTOMT-OAHLLOKOSA-N 313.401 2.893 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H]2c2ccnc(O)n2)c2ccccc21 257284761 PEERWFPOFFFOCQ-MRXNPFEDSA-N 322.368 2.651 0 40 DFAB O=C(c1ccccc1F)N1CCC(Oc2ccccn2)CC1 90607480 CBFZTAMXEFEYMO-UHFFFAOYSA-N 300.333 2.904 0 40 DFAB Cc1ccccc1O[C@@H]1CCC[C@H](N(C)CCCN(C)C)[C@H]1O 585290074 RMKCIFQPGFTCQG-QXAKKESOSA-N 320.477 2.539 0 40 DFAB Cc1cc(Br)oc1C(=O)N1CCO[C@@H]2CCC[C@H]21 53385413 HJEPCSVNKNTKPX-NXEZZACHSA-N 314.179 2.744 0 40 DFAB O=C(Nc1cncnc1N1CCCC1)c1cccc2cc[nH]c12 97376859 XCPPICPVOVWCHZ-UHFFFAOYSA-N 307.357 2.810 0 40 DFAB O=C(O)CC1(NC(=O)CCSc2ccccc2F)CCC1 94290800 HRQCYYXADHODGS-UHFFFAOYSA-N 311.378 2.822 0 40 DFAB CO[C@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1ccccc1F 1615085467 MYTISSRLRXHDJY-QAPCUYQASA-N 317.408 2.639 0 40 DFAB CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101629086 HJQGMPDLVYSWHB-COPLHBTASA-N 323.234 2.958 0 40 DFAB CC[C@H](CN1CCCCC1)NC(=O)Cc1ccc(OC)c(C)c1 12363003 OOHCHJPHYQFOST-QGZVFWFLSA-N 318.461 2.927 0 40 DFAB Cc1ncc(CNC(=O)C2CC2)c(-c2cn(C)c3ccccc23)n1 19287145 MBUVDNHPRWOEFD-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]c(=O)c1C 19555369 XLZNZQOVJXSSBB-HNNXBMFYSA-N 315.392 2.905 0 40 DFAB C[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1cccnc1 161616346 WBNMHSWLQYLAKQ-LBPRGKRZSA-N 322.372 2.760 0 40 DFAB CCOc1ncccc1-c1noc(CN2CCCC[C@@H]2C)n1 12292698 PWTDNUUCIFTSIX-LBPRGKRZSA-N 302.378 2.905 0 40 DFAB CCc1ncnc(N2CCC(c3nnc(C4CC4)o3)CC2)c1F 1888856859 NLABCTHEMNIWTQ-UHFFFAOYSA-N 317.368 2.823 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Cc1cccc(F)c1)CC(C)C 31709055 XCCBMCHXASXEGA-HNNXBMFYSA-N 324.396 2.645 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1[C@H]2CC[C@H]1c1cncnc1C2 245187646 ZRZMVMANEKUQQE-SJCJKPOMSA-N 304.353 2.860 0 40 DFAB O=C(CCCc1ccccc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193432 PMUFUCUNNHLLJF-QGZVFWFLSA-N 322.408 2.931 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)OCc1ccccc1 10594371 XLRFQYJHYADNQE-UHFFFAOYSA-N 315.377 2.605 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nn(C)cc21 2055751190 RMTQKGMXZGAYSM-CYBMUJFWSA-N 321.371 2.834 0 40 DFAB C[C@]1(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)CC=CCC1 2055815412 KGWPTINWCHWKOB-AYOQOUSVSA-N 316.445 2.640 0 40 DFAB CC(Nc1ccc(C(C)C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5032666 AEFZIWWSTSTBID-UHFFFAOYSA-N 315.373 2.546 0 40 DFAB CN(C)C(=O)c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1 235611 SHWFWFLYUCGCDD-UHFFFAOYSA-N 312.369 2.883 0 40 DFAB CCc1ccccc1NC(=O)Cn1nnc(-c2ccsc2)n1 8000271 KNVHLOGZVKIORP-UHFFFAOYSA-N 313.386 2.603 0 40 DFAB CCCc1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 40497186 NULKPOBWGIEVKC-AWEZNQCLSA-N 305.353 2.735 0 40 DFAB COc1ccc([C@@H](OC(C)=O)C(=O)NC2CCCCC2)cc1 1345169 IPIIWLYHIJEXMW-MRXNPFEDSA-N 305.374 2.748 0 40 DFAB CC(C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)O 1560636 BGAXRZWTGLDGQJ-UHFFFAOYSA-N 307.733 2.792 0 40 DFAB CCCn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1 2593891 YPUTZVVWSJQYTA-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB COc1ncccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 40541625 WHOBHVPTVIPOJV-ZDUSSCGKSA-N 304.733 2.686 0 40 DFAB CC[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1OC(F)F 31757140 GHEQIBBEBZUOFV-JTQLQIEISA-N 323.299 2.665 0 40 DFAB Cc1cc2cc(C)c3nnc(SCC(=O)O)n3c2cc1C 4213903 QDZROUGHACODSD-UHFFFAOYSA-N 301.371 2.984 0 40 DFAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC1CC1 4767931 RDZOICXHOXLGDC-JTQLQIEISA-N 307.415 2.841 0 40 DFAB CC(C)c1nc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)no1 53641724 MHZKGQIQZWMAST-GFCCVEGCSA-N 324.425 2.682 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2OC)cc1 8041156 WEAWHRGQCCEQIN-ZDUSSCGKSA-N 315.369 2.788 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(C3CC3)s2)c1C 21292206 HVQZLELOUZTVNQ-UHFFFAOYSA-N 304.375 2.815 0 40 DFAB CC(=O)c1ccc(C(=O)OCc2cn3ccccc3n2)s1 32776840 ZPCTVMYYEWCDBO-UHFFFAOYSA-N 300.339 2.955 0 40 DFAB COC(=O)CSc1nc2ccc(Br)cc2[nH]1 20765412 GJGJETRNGWUKHP-UHFFFAOYSA-N 301.165 2.591 0 40 DFAB CCn1cc(Cl)c(C(=O)N[C@@H](Cn2cccn2)C(C)(C)C)n1 2782442 UJQQTTIEUCEDMX-LBPRGKRZSA-N 323.828 2.598 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCc2sccc2C1 12216766 NBSMWZBOOQHGIO-UHFFFAOYSA-N 324.405 2.760 0 40 DFAB CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1C)C2 108533967 VURXJFSRBAHPCK-AEFFLSMTSA-N 304.409 2.872 0 40 DFAB O=C(Cn1cccc(C(F)(F)F)c1=O)OCc1ccccc1 58625953 BWFTXWMPESVRNK-UHFFFAOYSA-N 311.259 2.611 0 40 DFAB Cc1ccc(-c2noc(CN3C[C@H](C)OC[C@H]3C)n2)cc1F 106046109 RMOVUSIIYRRAED-NEPJUHHUSA-N 305.353 2.793 0 40 DFAB COc1cccc(-c2noc(C(=O)NCc3ccccc3)n2)c1 1428575 XOCCRNZOWGJWOS-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB biogenic Cc1oc(-c2ccccc2)nc1CN1C[C@H](C(N)=O)CC[C@H]1C 106768634 YUNFVKFIAZWSES-IUODEOHRSA-N 313.401 2.736 0 40 DFAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCO1 55628953 PHHBYJSGWMPQLE-GWCFXTLKSA-N 317.307 2.768 0 40 DFAB CCO[C@H](CC)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 57265184 VBZCNDOVYWVOOU-MRXNPFEDSA-N 323.408 2.805 0 40 DFAB C[C@@H](NC(=O)COC(=O)Cc1ccsc1)c1ccccc1 3230214 VPWMYQRNYARQPC-GFCCVEGCSA-N 303.383 2.711 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccnc(Cl)c1)Cc1ccccc1 27589710 WMEBNGVZRXDKAG-OAHLLOKOSA-N 317.820 2.638 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nnc2ccccn12 48375296 PAPYISVZMPFOEP-LBPRGKRZSA-N 306.369 2.709 0 40 DFAB CCOC(=O)N1CCC(Nc2nc(C)c(C(C)=O)s2)CC1 48343111 AJPBQEWQMBRVGS-UHFFFAOYSA-N 311.407 2.687 0 40 DFAB O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1ccc(F)cc1 13036956 OQMPWVKIHFJCEZ-LBPRGKRZSA-N 324.315 2.791 0 40 DFAB Cn1ccnc1SCC(=O)N[C@H]1CCCc2ccccc21 6369275 WCSXQZVXKMKZOE-AWEZNQCLSA-N 301.415 2.706 0 40 DFAB C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccccc1NS(C)(=O)=O 65551721 HCYJKQDUMYBCNF-RYUDHWBXSA-N 324.446 2.672 0 40 DFAB C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccccc1NS(C)(=O)=O 65551723 HCYJKQDUMYBCNF-NEPJUHHUSA-N 324.446 2.672 0 40 DFAB COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2)cc1 14104357 PWGZJBKUXIWYMW-UHFFFAOYSA-N 313.357 2.846 0 40 DFAB COC[C@H](C)NC(=O)NCc1cccc(COC(C)(C)C)c1 65608217 QENWZNWNHWXQGM-ZDUSSCGKSA-N 308.422 2.836 0 40 DFAB C[C@H](OC(=O)c1ccc(O)cc1)c1nc2ccccc2c(=O)[nH]1 5665321 LEFHLMKSRUYNLE-JTQLQIEISA-N 310.309 2.547 0 40 DFAB O=c1c(-c2nnc(S)o2)cccn1Cc1cccc(Cl)c1 5763035 JSLXXFASHJAVIQ-UHFFFAOYSA-N 319.773 2.889 0 40 DFAB CNC(=O)[C@@H](CC(C)C)NC(=O)C/C=C/c1ccc(C)cc1 89627007 UJEAIFWGXYWFLF-SQRWCISFSA-N 302.418 2.675 0 40 DFAB Cc1noc(C(C)C)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15599924 VMABDQBVLUZCRY-UHFFFAOYSA-N 300.318 2.528 0 40 DFAB COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCCN3)s2)cc1 80956477 YGTBBVLIYMRFMY-HNNXBMFYSA-N 316.426 2.792 0 40 DFAB Cn1c(=O)n(C)c2cc3c(cc21)nc(S)n3Cc1ccccc1 16363857 LRUQITUBJWJENR-UHFFFAOYSA-N 324.409 2.564 0 40 DFAB COc1cccc(N2CCN([C@H]3OC(=O)c4ccccc43)CC2)c1 19849614 BMOKGJBYKWVBJX-SFHVURJKSA-N 324.380 2.686 0 40 DFAB C[C@H](CC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(F)cc1F 89894548 KINGFFOXOXBOEJ-SECBINFHSA-N 319.311 2.591 0 40 DFAB O=C(CCC1CC1)N1CCCN(C(=O)Oc2ccccc2)CC1 89845728 KOVRFEDLIBSDCU-UHFFFAOYSA-N 316.401 2.910 0 40 DFAB C[C@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 89930304 YXFJDYBIHYYYGS-BETUJISGSA-N 308.388 2.760 0 40 DFAB COCCOc1ccc(CNC[C@@H]2CCCn3ccnc32)cc1 83911789 JMXDRRGHOVGDKK-INIZCTEOSA-N 315.417 2.576 0 40 DFAB COc1ccc2oc(C)c(C(=O)O[C@@H]3C[C@H](C)OC3=O)c2c1 84026962 PWEUGAYGGZZDPT-ISVAXAHUSA-N 304.298 2.611 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2noc(C)n2)c1 76043336 INBVLCGJBAWPFE-WFASDCNBSA-N 315.373 2.817 0 40 DFAB O=C1CCc2ccc(NC(=O)c3c(O)cc(F)cc3F)cc2N1 76087991 KYUSSGWXGUVDGO-UHFFFAOYSA-N 318.279 2.807 0 40 DFAB Cc1ccoc1-c1nnc(CN[C@H](C)[C@@H](C)n2cccn2)o1 72269758 KQSBGVQHWVGCED-VXGBXAGGSA-N 301.350 2.574 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H]1C[C@H]1c1ccco1 76089380 BVUSZMLPGNSCET-MNOVXSKESA-N 320.418 2.577 0 40 DFAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CC=CC1 97014790 RJJJVQOCBZZLGH-DGCLKSJQSA-N 324.421 2.582 0 40 DFAB Cc1nscc1C(=O)O[C@H](c1cnn(C)c1)C(F)(F)F 97084396 PDQAHEOTUWPJEI-SECBINFHSA-N 305.281 2.645 0 40 DFAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N(C1CCCC1)C1CC1 97109521 FFYCRMFYQRTOAW-INIZCTEOSA-N 316.401 2.797 0 40 DFAB FC(F)(F)c1ccnc(N2CCO[C@H](c3nccs3)C2)n1 97203863 AQYBSLXAONIOIU-QMMMGPOBSA-N 316.308 2.530 0 40 DFAB Cc1cnn(C2CN(Cc3cn4cc(Cl)ccc4n3)C2)c1 95373340 WKRCBTGVBOZDJF-UHFFFAOYSA-N 301.781 2.550 0 40 DFAB Cc1noc(CCCC(=O)NCCc2cc3ccccc3[nH]2)n1 95429911 ACFKELZUXTWWCU-UHFFFAOYSA-N 312.373 2.541 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC2CCC2)cc1 95427067 AENDZDTYANGGNR-ZDUSSCGKSA-N 310.463 2.920 0 40 DFAB Cc1cccnc1CNC(=O)N[C@@H](CCO)C1CCCCC1 95424555 GZTNDHXLXIVVJK-HNNXBMFYSA-N 305.422 2.521 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cncn3)cc2C)C1 78948124 AMSVAMKEOZRMKA-HUUCEWRRSA-N 315.373 2.690 0 40 DFAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccncc1 95988980 GXRSGHJKIFDTDP-CQSZACIVSA-N 301.777 2.744 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(C(=O)O)ccc1F 95989564 FQLQLJQQXHUSQG-SSDOTTSWSA-N 306.293 2.871 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@H](O)C1 74313828 NOWGKVALNFPLJH-IRXDYDNUSA-N 314.360 2.572 0 40 DFAB Cc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 129642100 UFESEWDLHKRCQW-QJPTWQEYSA-N 302.344 2.612 0 40 DFAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2cccn2C)C3)c1 306130888 JRWPXPVMRQLAQI-UHFFFAOYSA-N 320.396 2.853 0 40 DFAB Cc1c(Cl)cccc1-n1nc(C(N)=O)nc1-c1ccccc1 39402704 ASEBGZSAEWWQHE-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB Cn1ccnc1CN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 181286982 LOZMETUXUFVINY-HNNXBMFYSA-N 322.416 2.585 0 40 DFAB O=C(C1=CCCC1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 306135705 OYCNQFOBSPYKNC-HNNXBMFYSA-N 316.426 2.657 0 40 DFAB C[C@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn12 217555530 QJGGLJUTMWNKKH-QMMMGPOBSA-N 318.178 2.574 0 40 DFAB Cc1cccc(NC(=O)C(=O)NCc2csc(C(C)C)n2)c1 78602892 OJDWJYZURRIELF-UHFFFAOYSA-N 317.414 2.830 0 40 DFAB COCCS(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 79097966 WXVSXQPIIKRIPN-NSHDSACASA-N 324.229 2.547 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)on1)c1cccc(F)c1 32730690 GGRWBKLNNSCLOB-HNNXBMFYSA-N 317.364 2.724 0 40 DFAB Cc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446694 MMHQUHAESAWLPK-IXDOHACOSA-N 301.411 2.570 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1 72239269 NJXCMKBKPRUDQS-UHFFFAOYSA-N 305.403 2.754 0 40 DFAB O=C(NCc1cccc(O)n1)[C@@H]1C[C@H]1c1ccc(Cl)s1 562344335 VQOZUJBBYPRLNM-NXEZZACHSA-N 308.790 2.922 0 40 DFAB COC(=O)COc1cccc(NC(=O)CCc2cccs2)c1 40511085 UVHWKCGSXCBPRL-UHFFFAOYSA-N 319.382 2.871 0 40 DFAB CCOc1ccc([C@H](COC)NC(=O)N[C@H]2CCSC2)cc1 225459145 NOQVBXFWAVGNGZ-ZFWWWQNUSA-N 324.446 2.578 0 40 DFAB COc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1O 44901827 FUDPUUBBMMBUPJ-AWEZNQCLSA-N 319.386 2.867 0 40 DFAB OCc1cc2ccccc2nc1N1CC(O)(c2ccc(F)cc2)C1 192786335 DGICGKQFROQRAI-UHFFFAOYSA-N 324.355 2.574 0 40 DFAB CC(C)NC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 96074029 WQBBLEOJNVBCTJ-GOSISDBHSA-N 315.417 2.624 0 40 DFAB CC[C@@H](C)[C@H](C(=O)NCCCN1CCOC1=O)c1ccccc1 96408426 GKVRJPKKMQAVMV-ZBFHGGJFSA-N 318.417 2.775 0 40 DFAB O=C(CCCOc1ccccc1F)Nc1nc(C2CC2)no1 96407924 ABTVKQQCHIINRS-UHFFFAOYSA-N 305.309 2.884 0 40 DFAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2nccs2)COC1 96112816 FSEMIOZXUPPOCC-LBPRGKRZSA-N 314.414 2.662 0 40 DFAB biogenic,in-vitro Cc1cc(NCc2cnnn2C)ccc1C(=O)OC(C)(C)C 90201840 XWSJGMCJQYXASX-UHFFFAOYSA-N 302.378 2.691 0 40 DFAB COc1ccc(Nc2ncnc3c2ncn3C2CC2)c(OC)c1 292459532 OUHXQXGYTCOKCX-UHFFFAOYSA-N 311.345 2.922 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 257257537 KQBDTCROZRLIJT-AWEZNQCLSA-N 309.369 2.510 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2cnccn2)C1 257214890 CNWPLDHBLWJGTD-QGZVFWFLSA-N 307.397 2.985 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 252218727 ZUTOWCUCXLEAMG-BRXULGCHSA-N 309.431 2.586 0 40 DFAB COc1cc(N2CCN(CCc3ccncc3)CC2)ccc1F 282795067 NZBPXQLSVRRWMM-UHFFFAOYSA-N 315.392 2.594 0 40 DFAB CO[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1F 96123564 KQCBQWRDAMFYET-INIZCTEOSA-N 323.389 2.666 0 40 DFAB CC[C@H](C)N1C[C@@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O 585099338 GJDAGIVCRQVCFU-SJCJKPOMSA-N 321.490 2.983 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)CN1C 585103449 GPQWNJBIJAYENT-MRXNPFEDSA-N 316.445 2.568 0 40 DFAB CCOc1ccccc1NC(=O)NC[C@](C)(O)CCSC 75157687 JRBXCABPPYPQJF-OAHLLOKOSA-N 312.435 2.711 0 40 DFAB Cc1nc2ncnn2c(N[C@@H]2CCO[C@H](CC(C)C)C2)c1C 95464290 CARNIPUENIXUBG-ZIAGYGMSSA-N 303.410 2.747 0 40 DFAB CCNC(=O)CN(C)C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2 96180218 GKLCXPMNPKVOBW-WLRTZDKTSA-N 318.461 2.744 0 40 DFAB NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 97033779 FXSJRWXASYVFFL-ZDUSSCGKSA-N 321.852 2.638 0 40 DFAB CC(=O)Nc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 94097 FAGABTXSCPNPKD-LFIBNONCSA-N 306.321 2.990 0 40 DFAB Nc1sc2ccccc2c(=O)c1C(=O)NCc1ccccc1 11692164 BMABTVCWTHFSFG-UHFFFAOYSA-N 310.378 2.774 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCCNc2ncnc3[nH]cnc23)C1 16758128 NXZZPJIANTUEQC-STQMWFEESA-N 302.426 2.523 0 40 DFAB CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19020059 GGHNUDNUJPPSNM-KRWDZBQOSA-N 324.428 2.840 0 40 DFAB COc1cccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C2)c1 19565498 FOIKTSOVNXTKEF-HQRMLTQVSA-N 324.424 2.820 0 40 DFAB Cc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1 5700566 DKRHFPJKCKKASY-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB Cc1ccoc1C(=O)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12483434 USEMCMMJASFVQV-HNNXBMFYSA-N 317.316 2.904 0 40 DFAB NC(=O)c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 31076181 OYXWTTVIEXWDEC-UHFFFAOYSA-N 324.258 2.936 0 40 DFAB CCN(C(C)=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1 42875 LUSIUUQGVINNHC-UHFFFAOYSA-N 317.345 2.659 0 40 DFAB O=C(NC1CCCC1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195762 RHSPOSMHZQSHPE-ZDUSSCGKSA-N 321.808 2.687 0 40 DFAB CCCCNC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835252 MTKPTWQQMZPNBE-UHFFFAOYSA-N 321.402 2.837 0 40 DFAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 12364720 MPKRHHROHHFBBJ-GEEKYZPCSA-N 307.349 2.591 0 40 DFAB CCNC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 17296719 GYQJSIDDKZHVOL-UHFFFAOYSA-N 318.402 2.774 0 40 DFAB CCCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 72628677 OEKJQTFNTDTHOZ-UHFFFAOYSA-N 308.385 2.870 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)CSCc1cccc(C)c1 40025502 DBGHORPJPJBCLH-MRXNPFEDSA-N 306.475 2.829 0 40 DFAB CCOc1ncccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C 30309197 AYCNKZQVVYNDBE-UHFFFAOYSA-N 315.373 2.558 0 40 DFAB COC(=O)c1ccc(CNC(=O)CCOc2ccccc2)cc1 40160424 SMOLPXIUYREMBH-UHFFFAOYSA-N 313.353 2.559 0 40 DFAB CC(C)CNC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842135 NPMJNCNWCFLOOX-LBPRGKRZSA-N 303.406 2.608 0 40 DFAB COc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1OC 4853787 ZJUOQBHVNMIICY-KRWDZBQOSA-N 312.369 2.924 0 40 DFAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2cccs2)c1 7533768 WKPVSCQOSLNERL-JTQLQIEISA-N 305.355 2.941 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)Cc1noc(C(C)(C)C)n1 46057875 CFQLZPUXWFKWDY-UHFFFAOYSA-N 317.389 2.770 0 40 DFAB CCOc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1OC 11871296 SJTFDXBVRGKKRF-UHFFFAOYSA-N 302.330 2.877 0 40 DFAB CC(C)COC(=O)Nc1cccc(N2C(=O)[C@@H](C)NC2=S)c1 58169092 VCUSNKJSOGRANC-SNVBAGLBSA-N 321.402 2.501 0 40 DFAB COc1cccc(C(=O)NCCCN(C)c2ccccc2)c1O 32721278 UAMSSGBQUYLOFS-UHFFFAOYSA-N 314.385 2.657 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCOCC2)nc1 32876626 GZFNXKJTQHZLLZ-AWEZNQCLSA-N 323.396 2.510 0 40 DFAB O=C(NC1=NCCS1)c1ccc(COCC(F)(F)F)cc1 32889463 QOECLXGHSWUSLN-UHFFFAOYSA-N 318.320 2.598 0 40 DFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC1CCCCC1)C(=O)C2 415915 UXMYOCJIPLNHRV-LRDDRELGSA-N 313.463 2.634 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1 55651233 YFHDBKCMAWSYDB-UHFFFAOYSA-N 322.361 2.609 0 40 DFAB O=C1COc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2N1 21887763 UBBNDYFSYUJCRN-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB COc1cc(C(=O)NCCc2ccccn2)ccc1OC(F)F 33028139 ZPFSMSUXAUTOIN-UHFFFAOYSA-N 322.311 2.664 0 40 DFAB Cc1n[nH]cc1CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 75108033 GPGSVMUOTIIGFT-ZIAGYGMSSA-N 308.426 2.644 0 40 DFAB Cc1ccccc1C(=O)c1cccc(CN2CCN(C)CC2)c1 22027976 XAUJYNRKNCCAII-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB C[C@H](NC(=O)Cn1ccsc1=O)c1ccc2ccccc2c1 75146008 HCSSEXSCLGFSRL-LBPRGKRZSA-N 312.394 2.940 0 40 DFAB O=C(Nc1cnn(-c2ncccn2)c1)c1cc2ccccc2o1 75143238 AFWXEHVLOUXMMN-UHFFFAOYSA-N 305.297 2.661 0 40 DFAB Cc1cc(CNC(=O)N2CCc3c(F)cc(F)cc3C2)no1 89604904 HMLIJRJZVLKUSE-UHFFFAOYSA-N 307.300 2.529 0 40 DFAB CCCc1cnc(NC(=O)N2CCC(N3CC=CC3)CC2)s1 102317122 OZUBQLFCFILHKV-UHFFFAOYSA-N 320.462 2.964 0 40 DFAB CN(CCNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 12588137 ALACRYCTAXQBMC-UHFFFAOYSA-N 322.364 2.659 0 40 DFAB CN(CC1CCC1)C(=O)NCc1nccn1Cc1ccccc1 75456374 SBXZCURKVYLQGP-UHFFFAOYSA-N 312.417 2.873 0 40 DFAB C[C@H](NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 100259798 XHDCLAIZWOHGHB-JBBXEZCESA-N 301.386 2.986 0 40 DFAB COc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c1 100199250 VHXZSYWVJJPRGM-MUIFIZLQSA-N 309.365 2.953 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1cccc(OC)c1 3256182 RDUIMXWAHFQCBG-CQSZACIVSA-N 305.374 2.643 0 40 DFAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(O)(c2ccccn2)CC1 100165066 WBMHYHBRHHDYRR-BZUAXINKSA-N 314.429 2.718 0 40 DFAB COc1cccc([C@@H]2c3c(noc3C)C[C@](C)(O)[C@H]2C(C)=O)c1 1414965 TYPCQOQQNFKMIN-SQNIBIBYSA-N 315.369 2.636 0 40 DFAB CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1C[C@H]3CC[C@H]1C3)C2 106753620 YFPDRXUWBCGGMB-ZQIUZPCESA-N 312.413 2.966 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C[C@@H](O)c2ccc(F)cc2)c1 106784549 DPXLJWPYHCOMTD-IAGOWNOFSA-N 303.381 2.529 0 40 DFAB COc1ccc(OCCC(=O)Nc2nnc(C3CC3)s2)cc1 3227515 NEKWVFRWBQMVBY-UHFFFAOYSA-N 319.386 2.832 0 40 DFAB COc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccc1C 69491542 VCTGZYVDBDUXDY-HOTGVXAUSA-N 302.418 2.702 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCCn1ccnc1 57423226 GVSJFZRVLLCPJI-LBPRGKRZSA-N 322.359 2.954 0 40 DFAB CCN(Cc1cccc(F)c1)C(=O)CNC(=O)OC(C)(C)C 67143393 KYQIWCMSMQUTPE-UHFFFAOYSA-N 310.369 2.699 0 40 DFAB COC(=O)c1sccc1NC(=O)CN(C)[C@@H](C)CC(C)C 27140150 ROXAZSNGVJCVQD-NSHDSACASA-N 312.435 2.840 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCn1ncc(=O)c2ccccc21 44889016 CQMVZKRVAZZREO-CQSZACIVSA-N 313.401 2.578 0 40 DFAB Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccnc1S 58280058 SYQSARDZFACWLE-ZDUSSCGKSA-N 300.383 2.932 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)on1 58289341 ZCQDAUXKNVNCPF-LBPRGKRZSA-N 319.792 2.893 0 40 DFAB COC(=O)c1ncn(CN2CCC[C@H]2c2cccc(Cl)c2)n1 58281206 IKCFNXIXTMBOKZ-ZDUSSCGKSA-N 320.780 2.513 0 40 DFAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC1=O 48231338 ZSKHUDQNBUZYPP-ZDUSSCGKSA-N 309.369 2.706 0 40 DFAB COc1cc(CNC(=O)c2cccc(F)c2F)cc(OC)c1O 69352214 MYOZMNJWGWEFQI-UHFFFAOYSA-N 323.295 2.618 0 40 DFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1c(F)cccc1Cl 3523626 DMKDRIUTNWSVAI-SECBINFHSA-N 301.745 2.797 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1 69385258 AXQKQCCLIKJMAA-KRWDZBQOSA-N 301.434 2.765 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(Cl)n1 89626802 BBLDTKUNHKBJHN-UHFFFAOYSA-N 314.798 2.622 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cn2ccccc2n1 6371258 UIXXTCHEPWGEQV-FNORWQNLSA-N 322.320 2.820 0 40 DFAB COc1cc(CNC(=O)c2occc2C)cc(OC)c1OC 14022049 PCZDIWSGXSYMFD-UHFFFAOYSA-N 305.330 2.544 0 40 DFAB CC1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 14199933 LUECIEUXOROOLW-UHFFFAOYSA-N 316.384 2.568 0 40 DFAB CCCCCNC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5529003 UAQMCMSCRMUCHN-BBRMVZONSA-N 304.415 2.563 0 40 DFAB CCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C 69846134 JPRRFDBPNNHYIR-UHFFFAOYSA-N 306.259 2.775 0 40 DFAB NC(=O)c1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1 23223789 PXYBNQGEPQRGQF-UHFFFAOYSA-N 319.744 2.675 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(NC(C)C)c1 69929322 PQZIGKJPEUJFRV-UHFFFAOYSA-N 319.449 2.884 0 40 DFAB CCCCCN1CC2=C(C1=O)[C@@H](c1ccc(C)cc1)NC(=O)N2 8755477 BUIDJTNDZPPRCH-MRXNPFEDSA-N 313.401 2.635 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Oc2ccc(C)cc2C)oc1C 80251998 MQLSUOYGMJHZTE-UHFFFAOYSA-N 324.354 2.759 0 40 DFAB Cc1ncn(CC(=O)Nc2ccc(N3CCCCC3)nc2)c1C 92856996 QDQPMVOAZIVUNB-UHFFFAOYSA-N 313.405 2.524 0 40 DFAB Cc1ccc(-c2cc3c(N4CCN(C)CC4)nccn3n2)c(C)c1 67285080 LYJGBYFRADCSTP-UHFFFAOYSA-N 321.428 2.765 0 40 DFAB O=C(CC(=O)NCC(F)(F)F)NCc1ccc2ccccc2c1 96000703 MXGSIVVYFHTAFE-UHFFFAOYSA-N 324.302 2.525 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 9336774 ZFLLPDZKCCTLTE-VIFPVBQESA-N 308.765 2.731 0 40 DFAB Cc1ccc(N2CCC[C@H](N(C)Cc3cnc(C)s3)C2)nn1 71859818 POVAXSXKCIGTDA-AWEZNQCLSA-N 317.462 2.651 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)NC2CCCCC2)cc1 83843873 WWCMLCQYVRSNRL-MRXNPFEDSA-N 306.406 2.703 0 40 DFAB Nc1cc(=O)[nH]c(SCc2cc3ccccc3nc2Cl)n1 9608295 WSDWCUXOAOWDFN-UHFFFAOYSA-N 318.789 2.846 0 40 DFAB Cc1nc(C[S@@](=O)Cc2noc(-c3ccsc3)n2)oc1C 97083605 AROQPBODIVTXDL-OAQYLSRUSA-N 323.399 2.852 0 40 DFAB Cc1noc(-c2cccnc2NCCc2cn3c(n2)CCCC3)n1 97104442 XUKFKAKRCRLABM-UHFFFAOYSA-N 324.388 2.627 0 40 DFAB CC(C)[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1ccccn1 84456407 HTXRBPPFKSVYJW-WBVHZDCISA-N 317.389 2.579 0 40 DFAB C[C@H](CO)[C@@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 84640221 WWERARDCVAXZBU-GHMZBOCLSA-N 315.335 2.870 0 40 DFAB O=C(NC1(c2ccccc2)CCOCC1)c1cccc2cn[nH]c12 95395729 KLXNYMVPUMLLRS-UHFFFAOYSA-N 321.380 2.999 0 40 DFAB CCS(=O)(=O)c1ccc(CCC(=O)N2[C@@H](C)CC[C@@H]2C)cc1 95441322 NFZUELUKWJLRSM-KBPBESRZSA-N 323.458 2.812 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)OC(=O)c2c(C)nn(C)c2C)c1 95450000 KWVPJCXKDCRIMF-GFCCVEGCSA-N 315.373 2.913 0 40 DFAB CCc1ccc(-c2n[nH]c(SCc3nccc(N)n3)n2)cc1 95431249 LBUPODKCAZCYCZ-UHFFFAOYSA-N 312.402 2.699 0 40 DFAB Cc1c(COC(=O)c2cc(C(N)=O)cn2C)oc2ccccc12 79075462 ARFPIODSPNAUNX-UHFFFAOYSA-N 312.325 2.536 0 40 DFAB CCN(C)c1ccccc1NC(=O)N1CC[S@@](=O)C(C)(C)C1 84760955 GXHHJCPLBSPPDV-QFIPXVFZSA-N 323.462 2.518 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 88211638 PWXIKQSOXGDUTH-NSHDSACASA-N 301.264 2.799 0 40 DFAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccccc2)cc1 20104282 BNCQCGDCYIVWQI-UHFFFAOYSA-N 305.399 2.952 0 40 DFAB O=C1C[C@@H](c2nc(-c3cccs3)no2)CN1Cc1ccco1 38624567 SNCBVTUFVKHSEY-SNVBAGLBSA-N 315.354 2.907 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2OC(F)(F)F)C[C@H](C)O1 62712701 CJAJZFIMGRQREW-GVXVVHGQSA-N 318.339 2.694 0 40 DFAB O=C(Cc1ccccc1)N1CCn2c(-c3ccco3)cnc2C1 306132659 LONNICHPVSKHHF-UHFFFAOYSA-N 307.353 2.728 0 40 DFAB CCNC(=O)c1ccc(CN[C@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)cc1 517024258 JZLKJYSMKLCWEE-USTZCAOPSA-N 316.445 2.730 0 40 DFAB Cc1ncsc1C(=O)N1CCC(C(=O)c2cccnc2)CC1 72346680 WIULMAIFWRFNDF-UHFFFAOYSA-N 315.398 2.582 0 40 DFAB CC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 72377480 GVZZGIZAKMWZMF-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCCCn1ccnc1)[C@H](C)C2 182412960 BXXRDWBFHCKCEN-RHSMWYFYSA-N 312.417 2.814 0 40 DFAB Cn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2occc21 36353925 YUMMVNUCHQEKFB-UHFFFAOYSA-N 309.369 2.734 0 40 DFAB c1cncc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 72389953 WHECRPVVQVIFKR-INIZCTEOSA-N 321.384 2.906 0 40 DFAB O=C(C1CCC1)N1CCC2(CC1)Nc1cccnc1-n1cccc12 72342961 MOMPFTZXHMDLDF-UHFFFAOYSA-N 322.412 2.916 0 40 DFAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccncc2)n1 72322182 MBBCNCKEJFPRIS-AWEZNQCLSA-N 301.390 2.941 0 40 DFAB biogenic,in-vitro C[C@@H]1CCN(C(=O)[C@H]2CCN(Cc3ccccc3)C2)CCS1 565192869 RGJRXHXJVNHXDN-WBVHZDCISA-N 318.486 2.863 0 40 DFAB CO[C@H](C)c1nc(CN(C)C(=O)Cc2cccc(O)c2)cs1 78245490 XVZJSGTYVLTGRP-LLVKDONJSA-N 320.414 2.757 0 40 DFAB Cc1nc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)[nH]c1C 563441009 UTKJFJGANDHHCP-VXGBXAGGSA-N 315.421 2.647 0 40 DFAB CN(CC(=O)N1CC2(CC2)c2ccccc21)[C@H]1CCSC1 195547440 KTROSKHMUURSAP-ZDUSSCGKSA-N 302.443 2.502 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NCCCOC(C)C)c1 225375587 FFCSRRWGMMWOLU-UHFFFAOYSA-N 324.446 2.965 0 40 DFAB CC[C@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 195554807 XBGJIPXVRJQWHW-JSGCOSHPSA-N 310.825 2.695 0 40 DFAB Cc1occc1S[C@@H](C)C(=O)Nc1sccc1C(N)=O 131322200 GBUVLLZJPVPWIQ-QMMMGPOBSA-N 310.400 2.868 0 40 DFAB O=C(CCc1cccnc1)N1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 580723964 QFLSDACUNICOPL-HDICACEKSA-N 321.424 2.609 0 40 DFAB FC(F)(F)c1cccc2c1CN(c1ncnc3n[nH]cc13)CC2 528217846 DUDXWSCWLLMXGU-UHFFFAOYSA-N 319.290 2.934 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)Cn2cncn2)ccc1OC(C)C 96435280 FOIXGIYHBRRPHR-CYBMUJFWSA-N 317.393 2.584 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)NC[C@@H]1CCC[C@H]1O 96435040 YQYZCYDRNOKVIE-IINYFYTJSA-N 311.813 2.689 0 40 DFAB C[C@@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1cccs1 96440652 HCIHFPXLEDSVEN-NHYWBVRUSA-N 308.403 2.652 0 40 DFAB 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Cc1nccc(O[C@@H]2CCCN(C(=O)Nc3cccs3)C2)n1 575604866 GOGZOPRPKQZXRE-GFCCVEGCSA-N 318.402 2.922 0 40 DFAB Cc1nc2n(n1)C[C@@H](Nc1ccnc3c(F)ccc(F)c13)CC2 69703042 BUQBMLGVHGNIBR-JTQLQIEISA-N 315.327 2.840 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CC1=CCCCC1 95980354 JZXBNDNHMPUYKQ-HNNXBMFYSA-N 303.406 2.817 0 40 DFAB Cc1ccc([C@@H]2CN(c3ncnc4cnccc34)CCO2)cc1 1776002015 YNZSTFNGSUGXAX-KRWDZBQOSA-N 306.369 2.911 0 40 DFAB Cc1c(F)cc(/C=C/C(=O)O)cc1I 169797130 WVKCIDZWHPLQCE-NSCUHMNNSA-N 306.074 2.837 0 40 DFAB C[C@@H](C(=O)O)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 3267678 LMAKRFWEGFOISG-LOBLAWFCSA-N 311.746 2.849 0 40 DFAB N#Cc1c(Cl)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 34538266 PXTYIFUOEXJZEN-UHFFFAOYSA-N 306.680 2.699 0 40 DFAB c1csc(-c2nc(N3CCOCC3)nc3c2CCCC3)c1 19344113 FYOZHDOCFXFMML-UHFFFAOYSA-N 301.415 2.921 0 40 DFAB CCn1ncc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)c1C 19523984 SHOYZNPCTFZTMP-DLBZAZTESA-N 322.522 2.613 0 40 DFAB CNc1nccnc1[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 1848353831 GVFDJIDOYYNYEV-INIZCTEOSA-N 323.400 2.573 0 40 DFAB O=C(c1cccnc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 252550562 STFZLVXSJHRGNB-MRXNPFEDSA-N 319.364 2.923 0 40 DFAB O=C([C@@H]1CCC2(CCN(C(=O)C3(F)CC3)CC2)C1)N1CCCC1 1614932751 CNEVLXBBIFOEMU-CQSZACIVSA-N 322.424 2.520 0 40 DFAB COc1ccc([C@H](O)CNC(=O)c2cc(C)cs2)cc1OC 211087051 QKPTUCZLKLWUOS-GFCCVEGCSA-N 321.398 2.537 0 40 DFAB CC(=O)c1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21 810210 AWJBEAYQYJRQHK-OAHLLOKOSA-N 324.380 2.987 0 40 DFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(SC)cc1 2475967 SCJXKOVKYADDSU-CYBMUJFWSA-N 322.455 2.764 0 40 DFAB CCS(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336769 QVYAYFCJAPADNJ-UHFFFAOYSA-N 315.822 2.584 0 40 DFAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)c1ccc(Cl)cc1 40489992 YIKKPBMHPGJSNB-OAHLLOKOSA-N 318.735 2.923 0 40 DFAB O=C(COC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 1475587 JPUFHZKKYUIVER-UHFFFAOYSA-N 302.257 2.594 0 40 DFAB N[C@H](CCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608375 JCHQLSDKMKCVTK-IAGOWNOFSA-N 310.397 2.577 0 40 DFAB O=S(=O)(NCc1cccc(OC(F)F)c1)c1cccs1 51157555 FOJVXUHRBMQDRW-UHFFFAOYSA-N 319.354 2.828 0 40 DFAB CO[C@@](F)(C(=O)NC12CC3CC(CC(C3)C1)C2)C(F)(F)F 4833117 DZSVCBCYJJSFFZ-MYZRWVGDSA-N 309.303 2.946 0 40 DFAB O=C(COCC(F)(F)F)Nc1cnn(-c2ccccc2F)c1 96461671 DNTJMJJSUATMPP-UHFFFAOYSA-N 317.242 2.529 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@@H]1c1cccs1 57355899 HZOGPGAJOZOWQS-SWLSCSKDSA-N 306.431 2.716 0 40 DFAB Cc1cc(O)nc(SCCOCCOc2ccccc2C)n1 8750444 AGOYLHDCMBINKL-UHFFFAOYSA-N 320.414 2.987 0 40 DFAB O=C(N[C@H]1CCSC1=O)C(c1ccccc1)c1ccccc1 318390 OHQVBBHTUGGVNK-HNNXBMFYSA-N 311.406 2.967 0 40 DFAB Cc1ccccc1C1(C(=O)NCCCC(N)=O)CCCCC1 69489109 PBJVKZMZPWHIBH-UHFFFAOYSA-N 302.418 2.579 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)NC[C@H]1CCCO1 2778995 WXSRDSDBIHHFSA-RKDXNWHRSA-N 321.755 2.639 0 40 DFAB Cc1cccc(OCCNS(=O)(=O)Cc2ccccc2F)c1 170656217 YKOPYVSWBSCAJJ-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB CC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccc2nccnc2c1 12321716 MHSMKNZHINYKQE-QGZVFWFLSA-N 305.341 2.656 0 40 DFAB C[C@H](NC(=O)CCNC(=O)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104097349 AICZDAOFFMVHKW-OTRWWLKZSA-N 314.429 2.747 0 40 DFAB COc1cc(C(F)(F)F)ccc1C(=O)C1C(=O)CCCC1=O 103619301 RJIRWVOYWFBRRX-UHFFFAOYSA-N 314.259 2.835 0 40 DFAB Fc1cccc(F)c1CNCc1ccc(-n2cccn2)nc1 42205617 NHMREQXDBWKUBI-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)C1 53974423 ZNZXCOYYOJPILL-NWDGAFQWSA-N 310.419 2.794 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cnns2)cc1OC 47624320 WXONIDIKPCGUNB-LLVKDONJSA-N 319.386 2.533 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 100200147 MAQVNPIYBUKFBC-XSLAGTTESA-N 317.344 2.796 0 40 DFAB FC(F)(F)c1ccnc(Sc2nnc3n2CCCCC3)n1 24055425 JHCHPKTXWSUZJP-UHFFFAOYSA-N 315.324 2.965 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1 25102144 FWSLWKWCIXHUTF-UHFFFAOYSA-N 314.385 2.813 0 40 DFAB COC(=O)c1ccoc1CN1CCN(c2cccc(C)c2)CC1 25143452 YDZHMYFGPZYELN-UHFFFAOYSA-N 314.385 2.697 0 40 DFAB Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N(C)C 55856370 IOEJYEAUXJSVOD-UHFFFAOYSA-N 311.385 2.747 0 40 DFAB Cc1cc(NC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)no1 56357545 QHBJVOGSQUVZSI-NSHDSACASA-N 324.381 2.504 0 40 DFAB O=C(NCCNCc1ccccc1C(F)(F)F)c1ccncc1 57242948 XXKDJLCNPNSBGK-UHFFFAOYSA-N 323.318 2.620 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(-c2ccccc2)cn1 58019159 UGAOISUBUUVYKW-BBRMVZONSA-N 323.396 2.849 0 40 DFAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCc2sccc2C1 10107496 JQKNSOVNAJKGGX-LBPRGKRZSA-N 318.417 2.950 0 40 DFAB O=C(c1ccco1)N1CCN(Cc2cccc3cccnc23)CC1 44896326 GBFHRDAGUMCYFZ-UHFFFAOYSA-N 321.380 2.786 0 40 DFAB CCN(CC)Cc1ccccc1CNc1cn[nH]c(=O)c1Cl 44874422 JUPYJKHYQKDXSZ-UHFFFAOYSA-N 320.824 2.877 0 40 DFAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cnccn1 58246265 PUPNEKZHTJVWIF-UHFFFAOYSA-N 317.761 2.901 0 40 DFAB C[C@H](N(C)C(=O)Cn1ccc(=O)c2ccccc21)C(C)(C)C 58328915 HJZACEUPNURRSP-ZDUSSCGKSA-N 300.402 2.895 0 40 DFAB O=C(CSC[C@H](O)c1ccccc1)NCc1ccccc1F 58311869 DJRGXNORIZENAN-INIZCTEOSA-N 319.401 2.909 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)o1 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CC[C@@H](NC(=O)c1nc2nccc(C)n2n1)c1ccc(C)cc1 14085638 MHWMOZXWVNYBOZ-CQSZACIVSA-N 309.373 2.622 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NC1CCCC1 14141802 CHFQDEYNZUXHCY-UHFFFAOYSA-N 317.385 2.870 0 40 DFAB COC[C@H](C)Nc1nc(C)nc2sc(C(=O)OC)c(C)c12 14161684 URPKNHUDQMNIPO-ZETCQYMHSA-N 309.391 2.542 0 40 DFAB CCOC(=O)Cc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 5477857 PYZXLGBJWYZRQP-UHFFFAOYSA-N 319.386 2.513 0 40 DFAB Cc1cc(=O)n(CC(=O)NCc2ccccc2)c2ccccc12 27995854 CIIMCBGALDSUQO-UHFFFAOYSA-N 306.365 2.626 0 40 DFAB CC(C)[C@H](N)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 5577557 VYDCCEHCQXGRKO-LBPRGKRZSA-N 321.837 2.945 0 40 DFAB Cc1ccccc1CC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 69655826 MBAYXPXOGUEEQP-UHFFFAOYSA-N 323.318 2.864 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](n2ccnc2)C1 69742229 SRGIYDOBYVGEMK-GFCCVEGCSA-N 312.329 2.608 0 40 DFAB CN(C)[C@H]1CCCN(C(=O)c2sccc2Br)C1 71857321 CYIHUQMUOQMJMP-VIFPVBQESA-N 317.252 2.677 0 40 DFAB COCCCNc1nc(Nc2ccccc2)c2cnn(C)c2n1 9212205 AKGIPJJUTNPSFB-UHFFFAOYSA-N 312.377 2.555 0 40 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O=C(NCCC1Cc2ccccc2C1)NC[C@H]1CCC[C@H](O)C1 95440863 GIONECOUXMHCKZ-YJBOKZPZSA-N 316.445 2.642 0 40 DFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)o2)cc1F 95459446 CAGAXZJSCZLGQF-JTQLQIEISA-N 313.350 2.775 0 40 DFAB C[C@H](NC[C@H](C)N1CCOCC1)c1ccccc1OC(F)F 95419669 LAQYIMBIXOQEQJ-STQMWFEESA-N 314.376 2.659 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)no1 76044050 JGFLRCVEZOICNC-ZDUSSCGKSA-N 318.377 2.533 0 40 DFAB O=C1Cc2cc(NC(=O)c3ccc4ccccc4n3)ccc2N1 78703951 TZRYOXFRERNOMH-UHFFFAOYSA-N 303.321 2.982 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc(F)c1 95980144 GAEZKYCJAOUMCU-AWEZNQCLSA-N 318.352 2.771 0 40 DFAB CC[C@H](CSC)NC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 95984193 AAIAVCHYYZRXFK-QLFBSQMISA-N 308.447 2.957 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)OCCc2cnn(C)c2)cc1 78948395 JEZMDKOGRTXIMA-UHFFFAOYSA-N 311.341 2.783 0 40 DFAB CCc1n[nH]c(=O)c(C(=O)N2CCC3(CCCCC3)C2)c1CC 89282505 UQKWNUCMTDZWLM-UHFFFAOYSA-N 317.433 2.691 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(OC)c2)c1C 9909434 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CSCC[C@](C)(O)CNC(=O)c1cc(-c2ccccc2)on1 75157486 LZUIUPDLATWUEM-INIZCTEOSA-N 320.414 2.576 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)CO)ccc1N1CCCC1 77673034 IZPCARBHWXEGOG-KBPBESRZSA-N 305.422 2.734 0 40 DFAB O=C(O)c1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1 37388172 GZQAHYRFBXYCDL-UHFFFAOYSA-N 315.366 2.525 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)NC[C@H](O)c2cccs2)C1 76475595 IZOHEXZYKGSMPR-UTUOFQBUSA-N 314.476 2.755 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72364452 DLZHKGZKRSSBJZ-CQSZACIVSA-N 321.402 2.521 0 40 DFAB Cc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 42645935 WOGQGUFWSNCIAT-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB Cc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 47276387 WWUWAIGHNMXOPS-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB CC(C)Cc1cc(-c2nn3c(C(C)C)nnc3s2)n(C)n1 44890533 MPZXCCZWZPGQKR-UHFFFAOYSA-N 304.423 2.908 0 40 DFAB Cc1ccc(CNC(=O)COc2ccn(-c3ccccc3)n2)cc1 226853659 RBSDVJNSJMTYBW-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB COc1cc(N)ccc1NC(=S)NC(=O)c1cccc(C)c1 226238452 SPKAUMJESSSSQD-UHFFFAOYSA-N 315.398 2.713 0 40 DFAB Cc1cccc(OCCC(=O)N2CCC[C@@H]2c2ncon2)c1 569393419 CTCVMKKQAWXFLF-CQSZACIVSA-N 301.346 2.511 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(F)c1F 81596143 JOAAFTUWENZNIT-UHFFFAOYSA-N 321.327 2.906 0 40 DFAB O=C(NCCc1cscn1)N[C@@H]1C[C@H]1c1ccc(F)cc1 195037497 LJSWCJOTQHCBAY-UONOGXRCSA-N 305.378 2.680 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@@H]1CCO[C@H]1C 195577957 ZFJODCGLPKJSEQ-GOEBONIOSA-N 305.418 2.865 0 40 DFAB C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 42645848 LLNSUYQZWLEFSY-NSHDSACASA-N 318.323 2.823 0 40 DFAB O=C(OCc1ccc2[nH]nnc2c1)[C@@H]1C[C@@H]1c1ccccc1F 95948577 IEYHCONIGPEFPG-CHWSQXEVSA-N 311.316 2.944 0 40 DFAB c1cncc(N2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)c1 96226333 RTHMHKODVVOPBM-GOSISDBHSA-N 313.401 2.546 0 40 DFAB COc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)cc1 1203959317 OYXFBPALQGDACR-UHFFFAOYSA-N 317.364 2.668 0 40 DFAB C[C@H](NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)C(C)(C)C 96477222 OWLNUFRQFRAEII-SWLSCSKDSA-N 306.406 2.910 0 40 DFAB Cc1noc(-c2ccccc2C(=O)O[C@@H](C)[C@@H]2CCOC2)n1 97235855 AYRYWXAUFBFOQI-CMPLNLGQSA-N 302.330 2.627 0 40 DFAB Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccoc4)C3)C2)cn1 96046976 LBPJRXTWMYNCLZ-GOSISDBHSA-N 314.433 2.501 0 40 DFAB C[C@@H](C(=O)N1Cc2ccccc2[C@H]1C)n1nnnc1C(C)(C)C 331747198 DFZXXXKNOSIEMM-NEPJUHHUSA-N 313.405 2.635 0 40 DFAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccs3)C2)n1 96038915 PDDGOLUNOSVONN-MRVWCRGKSA-N 305.403 2.587 0 40 DFAB Cc1ccccc1[C@H]1CN(CCO[C@H]2CCCCO2)CCO1 252540600 PQGLUBNWAWJDLZ-MSOLQXFVSA-N 305.418 2.912 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257235666 GYVMMKOPOOEFPK-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257307977 TUYGAGYBBOJEFQ-OAHLLOKOSA-N 307.357 2.639 0 40 DFAB O[C@H](CN1C=C(c2cccc(Cl)c2)NN1)C1CCCCC1 642813636 AKBJZJPHOVQILB-MRXNPFEDSA-N 307.825 2.904 0 40 DFAB CC(C)CN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 575420745 KBNFAMNHVNPHDU-HNNXBMFYSA-N 315.866 2.985 0 40 DFAB Cc1noc2cc(NC(=O)N(C)CCc3cnccn3)ccc12 585140403 DASXSOZEMAJCDX-UHFFFAOYSA-N 311.345 2.633 0 40 DFAB Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)c(O)c1 58442755 AXIAWWPHNWBCJG-UHFFFAOYSA-N 312.413 2.953 0 40 DFAB CCN1CCC(N(C)C(=O)/C=C/c2c(F)cccc2F)CC1 71858666 HCDCWBIBGIGLNU-BQYQJAHWSA-N 308.372 2.921 0 40 DFAB CC(C)Cc1cc(C(=O)NCC2(CCO)CCCCC2)[nH]n1 79110060 CQLOZNIBJVKODR-UHFFFAOYSA-N 307.438 2.671 0 40 DFAB CC[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 1706329 LGQDAXGQCNAMTN-KBPBESRZSA-N 314.223 2.593 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2n[nH]c(=S)n2C)C(C)C)cc1 5504440 VDZDYEQEBPUPTR-GFCCVEGCSA-N 304.419 2.913 0 40 DFAB Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)on1 12422364 YGNJWZUJOONTHB-UHFFFAOYSA-N 305.359 2.847 0 40 DFAB Nc1nc(COC(=O)CCOc2ccccc2)nc2ccccc12 18273460 YGWWOHILJBEXDF-UHFFFAOYSA-N 323.352 2.724 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 19405798 NKVCIZKCMAHIHJ-CABCVRRESA-N 323.400 2.887 0 40 DFAB O=C(NCCn1ccc2ccoc2c1=O)c1cc2ccccc2o1 238906168 RWDKZLBFOXZSBS-UHFFFAOYSA-N 322.320 2.771 0 40 DFAB COc1ccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)cc1 12180728 GFTHCTWDYDQLCN-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB CC[C@](CNc1ncnc2c1ncn2C)(OC)c1ccccc1 1775970293 ALKYUJAEIBNWKS-QGZVFWFLSA-N 311.389 2.727 0 40 DFAB O=C(NCCCc1ccccc1)c1csc(-c2cnccn2)n1 44123134 PJSGYNUAXRRUTE-UHFFFAOYSA-N 324.409 2.963 0 40 DFAB Cc1ccc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 2298082627 ZQQODGITXCGVKM-OAHLLOKOSA-N 323.400 2.926 0 40 DFAB C[C@H](CNC(=O)/C=C/c1cccc2ccccc12)N1CCOCC1 40074468 YRHZTAHABGXTOA-ZNFPLGDCSA-N 324.424 2.690 0 40 DFAB CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cc1 40155340 ANNAUBXHKKOOIJ-UHFFFAOYSA-N 323.352 2.817 0 40 DFAB CCCC(C)(C)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 50497935 RVPCMPZFNPFASV-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB C[C@@H](NNC(=S)N1CCCC1)c1ccc2ccccc2n1 1578409 MTLLEBUSDCDMEA-GFCCVEGCSA-N 300.431 2.771 0 40 DFAB CN(Cc1ccc(F)cc1)C(=O)c1cn(-c2ccccc2)nn1 40506254 RAHWOQMEHBIXDG-UHFFFAOYSA-N 310.332 2.679 0 40 DFAB O=C(CCNc1ncccn1)N1CCC(c2ccccc2)CC1 51065833 IELLUNYUVMSNBC-UHFFFAOYSA-N 310.401 2.685 0 40 DFAB C[C@@H]1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)O)cc1 4256122 JHJQYTDZECIXOV-GFCCVEGCSA-N 316.382 2.936 0 40 DFAB CO[C@H]1OC[C@H]2OC(C)(C)O[C@@H]2[C@@H]1Oc1c(C)cc(C)cc1C 4829712 GGLPLAULEGCCCC-IWCQGFGOSA-N 322.401 2.882 0 40 DFAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1 6727743 CQZRYBVUBGCYMG-CHHLVHLRSA-N 321.348 2.658 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 6747807 RKAHUWVVWRSBNE-INIZCTEOSA-N 308.316 2.786 0 40 DFAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1cccc(F)c1 6816839 GFKJXAUIKITRJO-UHFFFAOYSA-N 322.303 2.706 0 40 DFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 8074567 XSHDNJQSBSGHNG-QGZVFWFLSA-N 322.364 2.521 0 40 DFAB COCC(=O)Nc1cccc(NCc2noc(C(C)(C)C)n2)c1 96427409 KAIDBUMGVSGLKN-UHFFFAOYSA-N 318.377 2.564 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1(C)C 32850732 XZMDYTPKBGPKEY-UONOGXRCSA-N 312.369 2.747 0 40 DFAB CCOC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 484908 NRKXYXVCYASMBK-UHFFFAOYSA-N 322.364 2.550 0 40 DFAB CN(C)C(=O)c1cccc(NCC(=O)N(C)C2CCCCC2)c1 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319.405 2.708 0 40 DFAB Cc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C)c1 3400302 BRTRPLMLQJXZBF-UHFFFAOYSA-N 318.446 2.797 0 40 DFAB COc1ccccc1C(=O)N[C@@H](CC(=O)O)c1cccs1 13388778 TYMKGILISAKFJT-NSHDSACASA-N 305.355 2.703 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)CCC3)nc1 69568394 MQHCVABWVMFYPQ-UHFFFAOYSA-N 323.396 2.589 0 40 DFAB COc1ccc(C2=NN(C(N)=S)[C@@H](c3ccco3)C2)cc1 13684806 CUKNPEMIZHTAPX-CYBMUJFWSA-N 301.371 2.683 0 40 DFAB Cc1ncsc1CNC(=O)NCCO[C@@H]1CCCC[C@H]1C 69595532 HTYLBMSVNBFJGB-DGCLKSJQSA-N 311.451 2.846 0 40 DFAB COC(=O)[C@@H](C)N(Cc1nc(-c2ccco2)oc1C)C1CC1 69699413 VBZBPRQCGOLEPD-SNVBAGLBSA-N 304.346 2.769 0 40 DFAB Cc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)C)n2)cc1 5210863 LICBJRAMIDGEIM-UHFFFAOYSA-N 304.419 2.787 0 40 DFAB Cn1c(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n[nH]c1=S 65536410 INZWXQORAZALBH-GFCCVEGCSA-N 306.435 2.540 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ncccc1O2 66054679 FAAPLOBZDDRWTF-UHFFFAOYSA-N 318.373 2.817 0 40 DFAB CC(C)c1csc(NC(=O)CNC(=O)Cc2ccccc2)n1 8735039 YBIFXHPRUSCRPF-UHFFFAOYSA-N 317.414 2.564 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@H]1CCC[C@H](C2CC2)C1 89598063 LMNAFXICFSRNCA-KBPBESRZSA-N 303.406 2.965 0 40 DFAB CNC(=O)c1ccccc1NCC(=O)Nc1ccc(C)c(F)c1 15362633 TWHPILPNGXMICI-UHFFFAOYSA-N 315.348 2.544 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 15480635 UXGIFTJYJAGQAN-GFCCVEGCSA-N 323.418 2.531 0 40 DFAB O=C(O[C@@H]1CCCCC1=O)[C@@H]1COc2ccc(Cl)cc2C1 7542097 RKOHKHGMVSRPGI-XHDPSFHLSA-N 308.761 2.946 0 40 DFAB Nc1nc(Cl)cc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 59386688 XYXWFLVBHNWXFX-CYBMUJFWSA-N 317.824 2.789 0 40 DFAB Cc1c(Cl)cccc1OCC(=O)NCCCn1ccnc1C 71914411 MSCAXXHGYPOJHO-UHFFFAOYSA-N 321.808 2.739 0 40 DFAB CCOC(=O)CCCCn1nc(-c2ccccc2F)ccc1=O 71916029 FXUANJJBWGBSJQ-UHFFFAOYSA-N 318.348 2.783 0 40 DFAB CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 89943580 LGHVYZXBQIVUFX-CXAGYDPISA-N 313.401 2.880 0 40 DFAB O=C(/C=C/c1nc2ccccc2s1)NC[C@@H]1CCCC[C@H]1O 72293740 ARXXBXSQVZTTFT-JMRXXTBOSA-N 316.426 2.977 0 40 DFAB CC(C)c1nc([C@H]2CCCN2C(=O)CCc2cscn2)no1 72299390 ZYQLCPLGGRWUJA-GFCCVEGCSA-N 320.418 2.946 0 40 DFAB CCCOc1ccc(NC(=O)N2CCCN(C)CC2)c(C)c1 97051398 ZUWXNEQFNYEMJF-UHFFFAOYSA-N 305.422 2.953 0 40 DFAB CNC(=O)[C@H](Cc1ccccc1)S[C@@H](C)c1nc(C)no1 97114023 PIRSMNSXXHSYBD-GWCFXTLKSA-N 305.403 2.530 0 40 DFAB Cc1ccc(NC(=O)N(CCO)C(C)C)cc1OC(F)F 97113285 GLVGYWYBBQZGNC-UHFFFAOYSA-N 302.321 2.831 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)Nc2cccc(F)c2)c1 72331167 DNWYWHHMKBXWDH-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB OC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 95987165 UCGHQNFRJSHYGJ-UHFFFAOYSA-N 311.809 2.501 0 40 DFAB CCN(CC)c1ncc(CN[C@H](C)[C@@H](C)n2cccn2)s1 78789725 HNEVRDWNQGYAAJ-CHWSQXEVSA-N 307.467 2.925 0 40 DFAB COc1cn(C)c(C(=O)Nc2ccccc2C(C)C)cc1=O 23135543 WBKZWXQYBBJMSJ-UHFFFAOYSA-N 300.358 2.770 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3cccc(C)c3)nn2)cc1 32158627 WGDFJUGZVMQYJZ-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB Cc1nc2ccccc2nc1N1CCN(Cc2cccnc2)CC1 30003826 KBIGCKDCRUOKFK-UHFFFAOYSA-N 319.412 2.655 0 40 DFAB CCSc1nc2ccc(NC(=O)/C=C\C(=O)O)cc2s1 31769031 YVHSYFLXWOWATO-WAYWQWQTSA-N 308.384 2.988 0 40 DFAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccccc1 4686178 SKURYGPOQFMDFY-XBFCOCLRSA-N 318.369 2.636 0 40 DFAB Cc1c[nH]nc1[C@H]1CCCN1C(=O)COc1ccccc1F 72364339 VFFIHTCOXJUCDA-CYBMUJFWSA-N 303.337 2.600 0 40 DFAB CCc1ncc(CN2C[C@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cn1 72343233 LVILTHVWZVEEJY-DLBZAZTESA-N 322.412 2.582 0 40 DFAB COCCn1cc(CC(=O)Nc2ccccn2)c2ccccc21 79494201 CUOSPMDMTDNQCM-UHFFFAOYSA-N 309.369 2.864 0 40 DFAB Cc1noc(C)c1C(=O)Cn1cnc2sc(C)c(C)c2c1=O 186332122 YCJSNOFODUZIEJ-UHFFFAOYSA-N 317.370 2.563 0 40 DFAB NC(=O)CN1CCC(c2cccc(Oc3ccccc3)n2)CC1 72383617 UPDNZHYWCVOSHN-UHFFFAOYSA-N 311.385 2.539 0 40 DFAB CCC[C@@H](NC(=O)CCNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 40088823 AYYJBKPKYJHVRU-CWRNSKLLSA-N 302.418 2.806 0 40 DFAB C[C@H](N)[C@H]1CCN(c2cncc(SCc3ccccc3)n2)C1 562833623 VAAZJEAPUOBWJX-ZFWWWQNUSA-N 314.458 2.942 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1cccc(C)c1 223753421 DQYCZJVIZGLGAK-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4o3)C2)nn1 225423755 QYXQVCSJVKQKIQ-CQSZACIVSA-N 323.352 2.825 0 40 DFAB C[C@H](Sc1ncnc2ccsc12)c1nnnn1C1CC1 225622939 KEDAVPGORVBMDP-ZETCQYMHSA-N 304.404 2.866 0 40 DFAB COc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1F 44891760 XGVBTNKXHARFFF-LLVKDONJSA-N 302.349 2.784 0 40 DFAB Brc1ccsc1CN[C@@H]1CCc2[nH]ncc2C1 195564529 NOYHVMHKLICDEE-SECBINFHSA-N 312.236 2.881 0 40 DFAB CCn1c(C(=O)OC)nc2cc(C(=O)NC(C)C)c(Cl)cc21 225730197 QDVGWKPOCSNNBO-UHFFFAOYSA-N 323.780 2.634 0 40 DFAB CCN(CC(=O)Nc1cccc(OC)c1)c1nc(C(C)C)no1 225592828 XPIIMUSTCPMAJY-UHFFFAOYSA-N 318.377 2.667 0 40 DFAB CC[C@]1(C)CN(C(=O)NCc2ccnc3ccccc23)CCO1 225503559 VCABQPMHEMNQFO-GOSISDBHSA-N 313.401 2.945 0 40 DFAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(CCC(C)C)CC[C@@]1(C)O 514289616 MGFWPQKIORGEMX-GBESFXJTSA-N 318.461 2.735 0 40 DFAB biogenic,in-vitro COc1nn(C)c2c1CCCN(C(=O)Nc1ccccc1F)C2 96254480 BZGFPADARDRULQ-UHFFFAOYSA-N 318.352 2.548 0 40 DFAB CCSCCOC(=O)c1sc(-c2cnn(C)c2)nc1C 96407067 HTSRUIABYKWMNH-UHFFFAOYSA-N 311.432 2.762 0 40 DFAB C[C@H](CCc1cccc(F)c1)NCC1(N(C)C)CCOCC1 96477637 AHGCTYJDCSOIDZ-OAHLLOKOSA-N 308.441 2.847 0 40 DFAB C[C@H]1OCCN(C(=O)NCc2csc(C(C)(C)C)n2)[C@@H]1C 96477093 FWXHIEHTWPJDLN-GHMZBOCLSA-N 311.451 2.759 0 40 DFAB CN(Cc1cc2ccccc2o1)C(=O)c1conc1C(C)(C)N 580449764 ZIIFDKLRCPONBY-UHFFFAOYSA-N 313.357 2.887 0 40 DFAB Cc1nnc(CN2CCN(CC(F)(F)F)c3ccccc32)o1 96445764 ZJLAGYPEUIZKMB-UHFFFAOYSA-N 312.295 2.767 0 40 DFAB O=C(c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253473284 TZPGAMBXDLSYJK-KBPBESRZSA-N 316.792 2.940 0 40 DFAB CN(C)c1ncc(CN2CCC[C@@H]2CCc2ccncc2)cn1 257301508 RYTSTBTUJQPHBV-QGZVFWFLSA-N 311.433 2.535 0 40 DFAB O=C(CC1CCCCC1)N1CCOC[C@@H]1CCc1cnccn1 257228520 FUEAFBVAWKZRKJ-KRWDZBQOSA-N 317.433 2.607 0 40 DFAB C[C@@H](C(=O)Nc1nccs1)N1C(=O)CCCc2ccccc21 252482444 DFKGXPQUWXAYLI-NSHDSACASA-N 315.398 2.840 0 40 DFAB CCOC(=O)C(=O)Cc1ccc(OC(F)(F)F)c(Cl)c1 95634656 NZHKEIZJOJTRTP-UHFFFAOYSA-N 310.655 2.913 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(c2nccs2)C1 575605095 HNXCPAPZPOLLLC-ZDUSSCGKSA-N 321.833 2.734 0 40 DFAB CO[C@@H]1CCN(Cc2cc[nH]n2)C[C@H]1Cc1ccccc1F 585274815 ONCJBECJVRHCEB-RHSMWYFYSA-N 303.381 2.628 0 40 DFAB COC[C@H]1CN(C)CC12CCN(Cc1ccc(F)cc1)CC2 585104258 XLGAYQSJRYXWMR-MRXNPFEDSA-N 306.425 2.616 0 40 DFAB NC(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc23)CC1 95393162 IOWMRCWKCNXBMA-ROUUACIJSA-N 322.408 2.667 0 40 DFAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1565520722 JFTZPJWZOCOYBY-IRXDYDNUSA-N 324.428 2.957 0 40 DFAB O=C(NC[C@@](O)(c1cccs1)C1CC1)NC1CCCCC1 75155345 BMWONDFDRZJDHK-INIZCTEOSA-N 308.447 2.978 0 40 DFAB O=C(NCC[C@H](O)C1CC1)Nc1cccc(C(F)(F)F)c1 77108801 HECAALIVWFYAOR-LBPRGKRZSA-N 302.296 2.988 0 40 DFAB Cc1n[nH]cc1CNC(=O)c1cc(-c2ccccc2)c(C)nc1O 546660597 OQRWLYKCXCBAQC-UHFFFAOYSA-N 322.368 2.724 0 40 DFAB COc1ccc(-c2nc3n(c2NC(C)(C)C)CCNC3)cc1 12113303 USWYIHMPLNCRCC-UHFFFAOYSA-N 300.406 2.872 0 40 DFAB O=C(c1nccs1)C1CCN(C(=O)c2cccs2)CC1 12157128 RDSBCZIVVXECMI-UHFFFAOYSA-N 306.412 2.940 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 12221720 IWXVRLIFMOFPGU-SFHVURJKSA-N 321.380 2.574 0 40 DFAB Cc1cc(N2CCN(C3CCCC3)CC2)cc([C@H]2CCNC2)n1 19739113 YNNCCJVAGHJRSL-INIZCTEOSA-N 314.477 2.532 0 40 DFAB Brc1ccc(NCn2nnc3ccccc32)nc1 19118778 GAORXCKQJSKFFA-UHFFFAOYSA-N 304.151 2.658 0 40 DFAB Cc1cccc(CC(=O)NC[C@]2(O)CCCc3sccc32)c1 1889128200 QEAVRDCLEOBSGK-GOSISDBHSA-N 315.438 2.939 0 40 DFAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ncccn1 30774045 JIQZGKDVTHFLAD-UHFFFAOYSA-N 322.324 2.681 0 40 DFAB O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1 30974705 MZLWLTOLDGQETN-UHFFFAOYSA-N 317.414 2.551 0 40 DFAB CCC(=O)N(c1ccc(C)c(Cl)c1)[C@H]1C=CS(=O)(=O)C1 4165250 NBAQOOIDGZYMGF-LBPRGKRZSA-N 313.806 2.702 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)c2cc(C(C)C)[nH]n2)o1 96412797 AUTMNDTXFPIQDH-OAHLLOKOSA-N 317.389 2.902 0 40 DFAB CCN(C(=O)Cn1cnc2ccc(C)cc2c1=O)c1ccccc1 40117048 IOWBGYMMOPXPED-UHFFFAOYSA-N 321.380 2.758 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 84028 YLJVSWVYPHEUJM-OAHLLOKOSA-N 323.396 2.944 0 40 DFAB C=CC(=O)NCc1ccc(C(=O)NCc2ccccc2C)cc1 40556326 PEZDHKNBHOMGFH-UHFFFAOYSA-N 308.381 2.727 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 40510145 BIBZYXIDIBKZEU-WPRPVWTQSA-N 300.811 2.590 0 40 DFAB CC[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 4994373 KMVJBESLNMZCAQ-YLXRRXKZSA-N 302.414 2.970 0 40 DFAB COc1ccc(C2=[N+]([O-])[C@](C)(c3ccccc3)N(O)[C@H]2C)cc1 7813418 KXKDZVBYGQWDPA-SCLBCKFNSA-N 312.369 2.961 0 40 DFAB CC[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccc(C)cc1 8162629 AXNGUSDMYMCCAX-CQSZACIVSA-N 300.358 2.585 0 40 DFAB O=C(NC1CCCCCCC1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 32656465 ZYPYWJMFSKJPIG-NWDGAFQWSA-N 320.355 2.673 0 40 DFAB O=C(Cc1n[nH]c(-c2cccnc2)n1)Nc1ccccc1Cl 32616719 SPVPOGWMHKUDEK-UHFFFAOYSA-N 313.748 2.701 0 40 DFAB C[C@H]1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)C[C@H]1O 96497150 ADFLWNGLBWKHMK-WCQYABFASA-N 308.447 2.815 0 40 DFAB COC(=O)c1occc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 32854070 SCIPPTRRZOVIPE-HNNXBMFYSA-N 312.325 2.795 0 40 DFAB Cc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cnn1C(C)(C)C 46490967 NHZNXYFVSWRJOR-HUUCEWRRSA-N 305.422 2.730 0 40 DFAB CC(C)c1ccc(OCc2ccc(C(=O)NCCO)o2)cc1 28230497 KNXUGKIVEOYBCU-UHFFFAOYSA-N 303.358 2.704 0 40 DFAB Cc1nc(NC(=O)[C@H](C)OC(=O)c2cccc(O)c2)sc1C 22481172 SWLZGSCDWWDKIS-VIFPVBQESA-N 320.370 2.650 0 40 DFAB Cc1noc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 54676249 ZWLCVXUNOHRXNY-UHFFFAOYSA-N 313.283 2.571 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)NCCN2CCc3sccc3C2)C1 54686792 UZSBHBIRUBUZPC-UKRRQHHQSA-N 321.490 2.984 0 40 DFAB CC(=O)N[C@H]1C(=O)N(CCOc2cccc(C)c2)c2ccccc21 100485384 YKFRXPGDYNFCFR-GOSISDBHSA-N 324.380 2.598 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccccn2)on1 43181407 DCPRODHQXSRRFC-JSGCOSHPSA-N 300.362 2.986 0 40 DFAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1N1CCCC1 1397848 USVXJKXGXLNYKQ-UHFFFAOYSA-N 312.373 2.624 0 40 DFAB Cc1nc(CCNC(=O)N2CCC[C@H]2c2ccccn2)cs1 56597711 NEKOXLXFFADGRF-HNNXBMFYSA-N 316.430 2.936 0 40 DFAB CN1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1=O 44350143 AXNNAQHRWXTLNR-CZUORRHYSA-N 320.820 2.776 0 40 DFAB Clc1ccc(-c2nnn(Cc3nnsc3Cl)n2)cc1 27068660 DURRTLSOVUWESI-UHFFFAOYSA-N 313.173 2.547 0 40 DFAB Cc1ncc(CN(C)Cc2nc(-c3ccccn3)no2)s1 57992105 BKMMYZDQIXWUNE-UHFFFAOYSA-N 301.375 2.529 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3231741 LUDYYACBSLZWIA-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2132424 JAMUAKBPEKPDLM-GXFFZTMASA-N 307.346 2.850 0 40 DFAB biogenic CC(=O)NCCCc1ccc(-c2csc(NC(C)=O)n2)cc1 12623072 GUHXEYZSNRPHNL-UHFFFAOYSA-N 317.414 2.837 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccnc(-n2ccnc2)c1 58433669 MIPKKJUSVCDVBI-CVEARBPZSA-N 322.343 2.692 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(F)c1 12784270 JLADYGYGTZQMLL-UHFFFAOYSA-N 300.333 2.513 0 40 DFAB CC(C)=CC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 48360574 OJINLFQJTFOJSO-IYBDPMFKSA-N 316.445 2.878 0 40 DFAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccccc2F)C1=O 48302820 IBTHFBIUYQIVJS-UHFFFAOYSA-N 320.364 2.899 0 40 DFAB COc1ccc(C[C@@H]2COc3cc(O)cc(O)c3C2=O)cc1 13327495 IERGURVELWCYAW-LLVKDONJSA-N 300.310 2.540 0 40 DFAB biogenic,in-vitro Cc1cccc(N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)c1C 8338416 BOUQRVDBKRQUJK-INIZCTEOSA-N 317.477 2.729 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 4074050 CARZWZVFSHUEKS-CKUKBARFSA-N 318.442 2.950 0 40 DFAB biogenic O=C1[C@@H]2CN=N[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 5242988 JFJCDDYILLBPRB-HZGVNTEJSA-N 317.654 2.683 0 40 DFAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nc2ccccc21 6315476 AGWSTGCNSLHKGH-UHFFFAOYSA-N 323.377 2.919 0 40 DFAB Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 5388172 YOFRASZUHLLZTJ-UHFFFAOYSA-N 319.364 2.857 0 40 DFAB COc1ccccc1C(=O)N(C)Cc1ncc(C)c(OC)c1C 65565965 WZVMNWIFFJKLMY-UHFFFAOYSA-N 314.385 2.988 0 40 DFAB O=C(c1ccc(Cn2cccc2)cc1)N1CCCN2CCC[C@H]2C1 69774040 XWFBIBSRSQIVGH-IBGZPJMESA-N 323.440 2.847 0 40 DFAB O=S(=O)(Cc1ccccc1F)N[C@H]1CCCc2occc21 65611865 DHCJNSDRQVKAOM-AWEZNQCLSA-N 309.362 2.916 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN[C@H](C(N)=O)c2ccc(F)cc2)o1 66939855 HIJLVULDDBZXKJ-HQQWDMGQSA-N 302.349 2.858 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 6940925 GBBZNYSHWOUHDW-CYBMUJFWSA-N 320.414 2.652 0 40 DFAB Cc1noc(C)c1C(=O)Oc1ccc(N2CCCC2=O)cc1 19211322 MLKIRHIRAUSASG-UHFFFAOYSA-N 300.314 2.637 0 40 DFAB Clc1cccc(Cl)c1Cc1nc([C@@H]2COCCN2)no1 96001484 LSQRAIJKFQXKJQ-NSHDSACASA-N 314.172 2.628 0 40 DFAB Cc1c(C)n(CCN(C)C)c2ncnc(NCc3ccccn3)c12 9422434 QRXAYZJPIAIVOK-UHFFFAOYSA-N 324.432 2.617 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 71866094 AEWOWTCGWZZVSH-RCCFBDPRSA-N 324.428 2.771 0 40 DFAB CC1(C)COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 71830837 RNZYXKVEEOWNJZ-UHFFFAOYSA-N 319.792 2.777 0 40 DFAB CC(C)c1ocnc1C(=O)NCCCn1cnc2ccccc21 71893355 SZHFNSWBMBTYGD-UHFFFAOYSA-N 312.373 2.968 0 40 DFAB CCc1nc(CNC(=O)Nc2ccc3c(c2)CCO3)cs1 71886759 POPVGEOGFQECGJ-UHFFFAOYSA-N 303.387 2.962 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1F 89949084 SSLIANGJUBGBFZ-SUMWQHHRSA-N 304.409 2.952 0 40 DFAB CC(C)OCc1nn(C(C)C)cc1I 408715700 COYFKBCZLYGLSU-UHFFFAOYSA-N 308.163 2.994 0 40 DFAB C[C@@H](C(=O)N(CC1CCC1)[C@H](C)c1ccccc1)S(C)(=O)=O 71920744 GLOOTYGTMQRGAB-KGLIPLIRSA-N 323.458 2.809 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cs1 72234000 UACHVWOIGYKSRX-CQSZACIVSA-N 318.446 2.708 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N[C@H](CC(=O)O)c1cccs1 97017557 FMACTWHABQWVLM-GZMMTYOYSA-N 322.386 2.789 0 40 DFAB Fc1ccccc1-c1n[nH]cc1CN1CCCC2(C1)OCCO2 97139066 KWEDFVSLXYEFQO-UHFFFAOYSA-N 317.364 2.555 0 40 DFAB CC1=C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccccc2O1 76060772 IJZPNVNJDVEICE-UHFFFAOYSA-N 321.336 2.704 0 40 DFAB CCc1nc(CC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cs1 95430004 YUVZSQGPGVXQRF-HWPZZCPQSA-N 322.405 2.625 0 40 DFAB O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccnc1 78876901 OMWOTSQTHPCVKE-KRWDZBQOSA-N 324.380 2.820 0 40 DFAB CCOCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)OC 79066172 CTWDERSZCWEEFR-HIFRSBDPSA-N 320.389 2.686 0 40 DFAB CCO[C@@H]1C[C@@H](N[C@@H]2CCCn3ncnc32)C12CCCCC2 95987992 FHHMGRHULPJISS-RBSFLKMASA-N 304.438 2.831 0 40 DFAB CC(=O)N1CCC(C(=O)Nc2ccncc2)(c2ccccc2)CC1 95949182 KAHVLACUSWJFBA-UHFFFAOYSA-N 323.396 2.600 0 40 DFAB COc1ccc2ncc(=O)n(Cc3nc(C4CC4)cs3)c2c1 556267131 VISUTFOKWXFNNB-UHFFFAOYSA-N 313.382 2.787 0 40 DFAB O=C(Cc1ccccc1F)NCc1ccc(-n2ccnc2)cc1 64611106 FMGNDTGJYZSXQX-UHFFFAOYSA-N 309.344 2.870 0 40 DFAB Cc1cccc(N(CCC(N)=O)C[C@@H](O)c2cccc(F)c2)c1 76746930 LENHETDIRCXCQE-QGZVFWFLSA-N 316.376 2.550 0 40 DFAB CCCN1CCN[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72352737 DQJPYKLMBUOUCX-SFHVURJKSA-N 309.413 2.502 0 40 DFAB O=C(NCc1ccccc1)NC[C@@H](O)c1ccc(Cl)cc1 32779494 QVAPODDJWSLHFA-OAHLLOKOSA-N 304.777 2.873 0 40 DFAB Cc1c(N[C@@H](C(N)=O)c2ccccc2)cnn1-c1ccccc1F 126749162 AHXRRLIAAVVUNW-QGZVFWFLSA-N 324.359 2.958 0 40 DFAB COC(=O)c1ccoc1CN1C[C@@H](C)C(=O)Nc2ccccc21 72488788 OMFXALYUEJDZNF-LLVKDONJSA-N 314.341 2.661 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 35655424 HENJLQXWIDQBLH-UHFFFAOYSA-N 308.809 2.717 0 40 DFAB C[C@H](CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1)C[C@@H](C)O 77690502 ASBGRNKHFAQQDE-VHSXEESVSA-N 315.364 2.559 0 40 DFAB COc1ccc2[nH]c3nc(SC[C@@H]4CCCO4)nnc3c2c1 35312248 FYDSPRMCGQLUDS-JTQLQIEISA-N 316.386 2.786 0 40 DFAB COC(=O)C[C@H](C)SCc1nnc(Cc2ccccc2)o1 79358933 SSEVEIWYOZOENK-NSHDSACASA-N 306.387 2.845 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@@H]1CCC[C@H]1CCO 194323550 HLDQOKWHDNMAET-WMLDXEAASA-N 313.401 2.585 0 40 DFAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)N(C)c3ccc(F)cc3)[C@H]2C1 190804458 MBLFIJBSMKEQFA-PMPSAXMXSA-N 322.380 2.650 0 40 DFAB COc1ccccc1CNC(=S)Nc1ncccc1OC 225313993 RMNPHRLJKUUGSW-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB COCCN1C(=O)CC[C@@]12CCCN(Cc1ccsc1)CC2 96217779 QWCKMLNQPDNCKU-QGZVFWFLSA-N 322.474 2.742 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1OC 95533887 ZWANJNKRQQUHLA-INIZCTEOSA-N 324.384 2.845 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)NC[C@H](O)c1ccsc1 96417668 JESPFHZSROPZRI-NHYWBVRUSA-N 322.405 2.851 0 40 DFAB Cc1sc2nc(CCC(=O)O)nn2c1-c1ccc(F)cc1 95095805 ZOUSUVCHNWETGL-UHFFFAOYSA-N 305.334 2.923 0 40 DFAB O=S(=O)(NC[C@H]1CCC[C@@H](O)C1)c1ccc2ccccc2c1 96483544 VXFAFRHFPLNGQM-XJKSGUPXSA-N 319.426 2.669 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1cccc(C)c1 96518650 RYZJARSDAPMCLW-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)NC(=O)c1ccccc1N2 245338947 PMZOJTXMWUDVDU-PSTGCABASA-N 302.374 2.538 0 40 DFAB c1c[nH]c(-c2cnc([C@H]3CCCN3Cc3cscn3)cn2)n1 257334805 YHLDKRUWNXOVDF-CQSZACIVSA-N 312.402 2.660 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1ccc2[nH]cnc2c1 257250084 JKYVFEMTEBJXPT-OAHLLOKOSA-N 309.373 2.962 0 40 DFAB CCCc1cc(C(=O)N2CCO[C@H](c3ccnc(C)c3)C2)no1 257289066 PWVGKCTYWRTYOT-INIZCTEOSA-N 315.373 2.544 0 40 DFAB COc1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 250408045 SSMYAGFEKNDCON-SOUVJXGZSA-N 303.402 2.941 0 40 DFAB O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c(F)ccc(O)c1F 252488934 JCGZFNAWTXDUCS-AKWBHNSASA-N 301.292 2.739 0 40 DFAB O=C(Cn1ccc2ccccc21)Nc1cnn(C2CCOCC2)c1 96123308 FBOTUWLCGPPMQY-UHFFFAOYSA-N 324.384 2.828 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](Oc2ccncn2)C1 575605056 GLRAYDABNIVCMP-NSHDSACASA-N 321.739 2.563 0 40 DFAB O=C(N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1)C1(F)CC1 585101009 SQGXWXIZYKNNQM-QGZVFWFLSA-N 316.376 2.534 0 40 DFAB CC[C@H](Sc1ccccc1)C(=O)NCc1nc(C)cc(O)n1 585141619 VZSGIYBBECUKFT-ZDUSSCGKSA-N 317.414 2.678 0 40 DFAB C[C@H](N)[C@H]1CCCN(C(=O)c2ccccc2Br)C1 70172637 JJEVOCDBMCCRQN-QWRGUYRKSA-N 311.223 2.649 0 40 DFAB N[C@H]1C[C@@H](NC(=O)c2ccc(C3CCOCC3)cc2)C12CCC2 1580163040 IWXUJDYSIOUKGO-DLBZAZTESA-N 314.429 2.580 0 40 DFAB O=c1ccccn1CCc1cc(Cl)c2c(c1)OCCCO2 95462980 AEJFQGIZDLMXGQ-UHFFFAOYSA-N 305.761 2.906 0 40 DFAB COc1ccccc1/C=C/C(=O)NCCCN1CCCCC1 13671132 OZCNVOUVILDWNA-ZHACJKMWSA-N 302.418 2.701 0 40 DFAB CC[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937561 YSIBUUVHZOTASL-SNVBAGLBSA-N 319.792 2.548 0 40 DFAB COc1ccc2[nH]c(CN3CCO[C@@H](c4cnccn4)C3)cc2c1 607853398 ATGNPWPIAMSPHX-GOSISDBHSA-N 324.384 2.540 0 40 DFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccncc1 575607618 NZMDBEAHUNNDIE-UHFFFAOYSA-N 322.315 2.688 0 40 DFAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 30342875 KNYZDGLIRDJXRO-HNNXBMFYSA-N 304.733 2.900 0 40 DFAB CC(=O)Nc1ccc(SC[C@H](O)COCc2ccco2)cc1 32751029 NKBRYZRBRXZOOT-CQSZACIVSA-N 321.398 2.908 0 40 DFAB CC(C)c1nc(CC(=O)Nc2ccc(N(C)C)nc2)cs1 33241479 WGXDURBIHXZTCR-UHFFFAOYSA-N 304.419 2.909 0 40 DFAB C[C@H](c1ccc(F)cc1)n1c(S)nnc1-c1cnccn1 9046055 BIEFANKEEMHMEF-SECBINFHSA-N 301.350 2.772 0 40 DFAB Cc1ccc2nc(C)c(NC(=O)c3ccc(F)cc3)c(=O)n2c1 12180734 KRDXIAKKQIDDMA-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB Cc1cccc(CC(=O)N[C@@H]2CCN(Cc3ccsc3)C2)c1 585150070 UJJVLJQYYKBSNE-QGZVFWFLSA-N 314.454 2.990 0 40 DFAB COc1ccc(CCC(=O)NCC[C@H](O)c2cccs2)cc1 77113748 FCUCMKKTPZONCQ-HNNXBMFYSA-N 319.426 2.929 0 40 DFAB CCCOc1ccc2c(c1)OCC(C(=O)Nc1cnn(C)c1)=C2 40121112 HRPJAQZCQZLNCJ-UHFFFAOYSA-N 313.357 2.623 0 40 DFAB COc1cc(CN[C@@H]2CCCc3c2cnn3C)cc(OC)c1 30908706 SFMPBSZHYVRFEG-MRXNPFEDSA-N 301.390 2.605 0 40 DFAB CC1=NN(C(=O)Cc2ccccc2)[C@](O)(c2ccc(F)cc2)C1 328019 IIDGLKGZYQBYLP-GOSISDBHSA-N 312.344 2.822 0 40 DFAB O=C(CSc1ncccc1C(=O)O)Nc1cccc(F)c1 415181 DUGOEODFFABCKI-UHFFFAOYSA-N 306.318 2.650 0 40 DFAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1 58939068 NUGSOFVINGQMDK-CVEARBPZSA-N 314.429 2.926 0 40 DFAB CNC(=O)c1ccc(CSCC(=O)N2CCC(C)CC2)cc1 96448023 BLJLNMQSVZYDRW-UHFFFAOYSA-N 320.458 2.538 0 40 DFAB O=C1CCc2cc(NC(=O)[C@@H]3Cc4ccccc4O3)ccc2N1 31988390 LVMQFNNJYNRTKO-INIZCTEOSA-N 308.337 2.514 0 40 DFAB COc1cc(C(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100989296 WONSGKWAEWIBEJ-BZPMIXESSA-N 319.401 2.878 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)NC(=S)N1 484993 WNEQMISSMBGJNJ-ZDUSSCGKSA-N 308.378 2.570 0 40 DFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1O 32901121 IOFOQWUHUTWBEZ-UHFFFAOYSA-N 324.380 2.558 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)C(C)C 41329851 BLERXHGUCYQBTR-IRXDYDNUSA-N 302.418 2.553 0 40 DFAB c1ccc(CN2CC[C@@]3(C[C@@H](Nc4ccccn4)CO3)C2)cc1 107226097 ZFGZXWFEFLNVAI-IEBWSBKVSA-N 309.413 2.927 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 21224008 LKZPEWHNPCLLKQ-GOEBONIOSA-N 302.418 2.810 0 40 DFAB Cn1nnnc1SCCCNCc1cccc2ccccc12 7541429 UWXJGYFKLAEWNF-UHFFFAOYSA-N 313.430 2.635 0 40 DFAB c1ccc(CCN2CCCN(c3nc4ccccc4[nH]3)CC2)nc1 69815534 ZUCKPUMJSUPNBC-UHFFFAOYSA-N 321.428 2.713 0 40 DFAB CCC(CC)[C@@H]1CCN(S(=O)(=O)CC2CCOCC2)C1 96428149 KWQHEVKBWKFMDH-OAHLLOKOSA-N 303.468 2.501 0 40 DFAB CCN(Cc1cccc(F)c1)C(=O)Cn1nnc2ccccc21 69773079 OLYZSPFFATVQHH-UHFFFAOYSA-N 312.348 2.619 0 40 DFAB O=C1O[C@@H](C(=O)Nc2nc(C3CC3)cs2)Cc2ccccc21 23135207 GFXMZHHCAAOXHZ-CYBMUJFWSA-N 314.366 2.741 0 40 DFAB O=c1oc2ccc(Cl)cc2n1CN(C[C@@H]1CCOC1)C1CC1 54495802 OYFFGFUKVRMWBX-NSHDSACASA-N 322.792 2.706 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1 46988209 KGZROXWOVGKXGX-MRXNPFEDSA-N 316.380 2.648 0 40 DFAB CCOC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 1384058 JLWHFTHQWZKWDC-UHFFFAOYSA-N 300.236 2.861 0 40 DFAB O=C(NCc1ccccc1OC(F)(F)F)C1CCOCC1 24866775 MRGMUENMTORNRG-UHFFFAOYSA-N 303.280 2.628 0 40 DFAB C[C@@H](CNC(=O)c1cccs1)N1CCc2ccccc2C1 25633746 RTBKWKCVYLUTMD-ZDUSSCGKSA-N 300.427 2.925 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2cc(F)ccc2F)cc1 57472321 WUPMZJANZSJYNN-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB CN(CCCNC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 12525480 KEIWRZKDBHVYEH-UHFFFAOYSA-N 308.385 2.819 0 40 DFAB CCCc1n[nH]c(SCCOc2cccc(C(=O)OC)c2)n1 58158454 QLXAGRQXFXDGKH-UHFFFAOYSA-N 321.402 2.715 0 40 DFAB CC(=O)N1CC[C@H](NCc2ccc3c(c2)CC(C)(C)O3)[C@H](C)C1 89937535 ARGMGXNQWPZTNV-DYVFJYSZSA-N 316.445 2.747 0 40 DFAB Cc1nn(CN2CCN(c3ccccc3F)CC2)c(=S)s1 12609051 DMTAGVUQHUEXDP-UHFFFAOYSA-N 324.450 2.901 0 40 DFAB CCc1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7724109 QDJSAHYIWFJSLL-XJKSGUPXSA-N 304.415 2.642 0 40 DFAB CC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)cc1 12800943 TWXIEUKPMPUQEI-QGZVFWFLSA-N 321.384 2.852 0 40 DFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)C(C)(C)C)c1C 3439562 WJZZMXFLWNGWSN-UHFFFAOYSA-N 309.362 2.580 0 40 DFAB CCOc1c(Cl)cc(/C=C/C(=O)NCCOC)cc1OC 12922867 VSGOZJIKTMUCLA-AATRIKPKSA-N 313.781 2.523 0 40 DFAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(O)cc1)c1ccccc1 3556333 GPYZUANOADKVRJ-CYBMUJFWSA-N 313.353 2.991 0 40 DFAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1F 7990552 NOUDTEWRTSBSFU-ZBEGNZNMSA-N 301.317 2.843 0 40 DFAB CC1(C)C[C@@](C)(O)N(CCc2c[nH]c3ccccc23)C(=S)N1 4029558 XGKHVNVAHPOPRA-QGZVFWFLSA-N 317.458 2.778 0 40 DFAB biogenic CC(C)CCNC(=O)CSc1nc(-c2ccccc2)cn1N 4251827 VEBSOJXFYPOBPP-UHFFFAOYSA-N 318.446 2.518 0 40 DFAB CC[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc(C)cc1 8162623 AXNGUSDMYMCCAX-AWEZNQCLSA-N 300.358 2.585 0 40 DFAB CCc1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 65248754 HLRMJZSTHDBLKY-HXUWFJFHSA-N 320.392 2.985 0 40 DFAB O=C(O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1 4489409 OLBQCQTXZIJZSQ-UHFFFAOYSA-N 315.276 2.734 0 40 DFAB COc1cccc([C@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 65467395 YUUICSLNCMZLOG-GOSISDBHSA-N 324.428 2.815 0 40 DFAB C[C@H](O)CN(CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 65515246 PFRSIUUCLGVJMV-HOTGVXAUSA-N 312.413 2.751 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 70040735 QBXVZJNEEFLYHH-MRXNPFEDSA-N 323.400 2.906 0 40 DFAB Cc1ccccc1OCC(=O)Nc1c(C(N)=O)oc2ccccc12 4851967 GWHONIOIFVGHFQ-UHFFFAOYSA-N 324.336 2.858 0 40 DFAB C[C@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 8332582 QUPWNZMTFZRXLU-CQSZACIVSA-N 306.369 2.801 0 40 DFAB O=C(O)CC1(CC(=O)Nc2cccc(CO)c2)CCCCC1 6847350 URLQZWAUOZNSRP-UHFFFAOYSA-N 305.374 2.933 0 40 DFAB COc1ccc(OC)c(CNCC[S@](=O)c2ccccc2)c1 69653385 PGHLUPVAUDZHNS-JOCHJYFZSA-N 319.426 2.601 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1C 7234944 DKMJUUWIWRWZKD-UWVGGRQHSA-N 322.409 2.621 0 40 DFAB CCCNC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1 8778459 JAFMXQKFTNGBPR-UHFFFAOYSA-N 308.378 2.639 0 40 DFAB CC(C)(C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 9516546 CSQIBZSNBFPDFA-UHFFFAOYSA-N 303.189 2.638 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)NCCc2cccs2)c(C)o1 78932858 XMZWWEOYHIHLCJ-INIZCTEOSA-N 322.430 2.707 0 40 DFAB C[C@H](CC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C1CC1 71830298 GXTPGIFEWCMELU-CZUORRHYSA-N 300.402 2.512 0 40 DFAB Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cc(C(N)=O)c[nH]1 79018362 ORYSCHLHGHPMFN-INIZCTEOSA-N 313.401 2.891 0 40 DFAB C[C@H](CN1CCC(C(=O)Nc2ncccn2)CC1)c1ccccc1 71909862 RTPFIULIDLIERV-OAHLLOKOSA-N 324.428 2.931 0 40 DFAB O=C(C[C@@H]1CCCc2ccccc21)N[C@H]1CCc2nccn2C1 72271692 LSLZVESVYSTVTP-HOTGVXAUSA-N 309.413 2.824 0 40 DFAB CCOc1cc(C)ccc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 72296081 NZLZWCWZUPQLFL-ZIAGYGMSSA-N 305.422 2.998 0 40 DFAB Cc1nc([C@@H](C)NC(=O)Cc2cccs2)sc1C(=O)O 97050104 YPQOSDOFSWTVBA-MRVPVSSYSA-N 310.400 2.631 0 40 DFAB CN(Cc1cccnc1)c1cc(N(C)Cc2cccnc2)ncn1 97163523 BOCJKLHBYIPJEX-UHFFFAOYSA-N 320.400 2.539 0 40 DFAB Cc1cc(-c2nn3c(-c4ccccc4F)nnc3s2)no1 20724915 OPDOHHWWPKZHDL-UHFFFAOYSA-N 301.306 2.955 0 40 DFAB c1cc(-c2nc(CN3CCS[C@@H]4COCC[C@@H]43)no2)cs1 84618551 TVNXGPWXYYYRPN-NWDGAFQWSA-N 323.443 2.504 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 95399386 CPKDTAWGWPHICK-HNNXBMFYSA-N 320.389 2.982 0 40 DFAB O=C(OC[C@H]1CCCCO1)[C@H](c1ccccc1)n1cccn1 95392671 BSSADHGNPZREPL-CVEARBPZSA-N 300.358 2.585 0 40 DFAB COc1ccc(C(C)(C)CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1 110592376 BFECKKUOBBXZKN-OWCLPIDISA-N 303.402 2.657 0 40 DFAB CCN(CC)S(=O)(=O)N(C)CC12CC3CC(CC(C3)C1)C2 73438184 ZMQPDKATDPLCKC-UHFFFAOYSA-N 314.495 2.721 0 40 DFAB CC(=O)NC(C)(C)C(=O)N[C@H](C)Cc1ccc2ccccc2c1 95961603 RIKRISKBEZPQHQ-CYBMUJFWSA-N 312.413 2.802 0 40 DFAB C[C@H](c1cccnc1)N(C)CC(=O)N1CCc2ccccc2C1 95977286 PKKWUDZNHFOMSD-OAHLLOKOSA-N 309.413 2.659 0 40 DFAB CCCCNc1ccccc1C(=O)N1CCN(C(=O)CC)CC1 95978463 UUSYNZUMGCTMKI-UHFFFAOYSA-N 317.433 2.593 0 40 DFAB CC(=O)N[C@H](C(=O)NCCSc1ccc(C)c(C)c1)C(C)C 26680475 UTNSWQRYEPCGJA-INIZCTEOSA-N 322.474 2.672 0 40 DFAB C[C@]1(C(=O)OCC2CSC2)CCCN1C(=O)c1ccccc1 1548595270 JQTIHHLKRNJHKH-QGZVFWFLSA-N 319.426 2.588 0 40 DFAB CN(Cc1ccnn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 32611440 FYTHHHDEDLGIDE-UHFFFAOYSA-N 321.446 2.538 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(Cn2cncc2C(=O)O)cc1 72221258 JJEWZSHIWRDFSQ-UHFFFAOYSA-N 317.345 2.977 0 40 DFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3Cc2ccco2)Nc2ccccc21 72327423 YTMGEMWUZSXDMB-PUECVXPYSA-N 309.369 2.568 0 40 DFAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1cccc(Cl)c1 77783863 XQTAOLHWAZFPRK-ZDUSSCGKSA-N 312.797 2.600 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72239418 SHKXHULCPQWGKF-WBVHZDCISA-N 302.418 2.821 0 40 DFAB CC[C@@H](C(=O)N1CC2(COC(C)(C)OC2)C1)c1ccccc1 70971736 JYHGTERSYUQTMO-OAHLLOKOSA-N 303.402 2.792 0 40 DFAB COc1cc2c(cc1S(=O)(=O)N1CCC(C)CC1)CCCC2 223481535 CCCGUSKGHPDTPU-UHFFFAOYSA-N 323.458 2.995 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)CCn1ccc2ccccc21 80381364 CAXRYUQBBVZKLT-UHFFFAOYSA-N 309.369 2.677 0 40 DFAB O=C(NC[C@H]1CCCS1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 195545611 TWPLVHVMIHZSEW-RQJABVFESA-N 310.463 2.529 0 40 DFAB O[C@@H](CN[C@H](c1ccccc1)c1ccccn1)c1ccncc1 195553852 CQCQYPJKHSYXKG-RBUKOAKNSA-N 305.381 2.889 0 40 DFAB CCNS(=O)(=O)c1cccnc1Nc1ccc(CC)cc1 49402376 UINDHPKHMDPYJS-UHFFFAOYSA-N 305.403 2.686 0 40 DFAB C[C@H]1CSCCN(c2ccc3nnc(C(C)(C)C)n3n2)C1 225492497 JFEODXBFJKTAEP-LLVKDONJSA-N 305.451 2.611 0 40 DFAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CNCc3ccccn3)[C@H]1C2 195541614 VJMNNNJDUNTRJC-BPQIPLTHSA-N 316.445 2.541 0 40 DFAB CCc1ccc([C@H](COC)NC(=O)Nc2c(C)noc2C)o1 96434390 VCSIQFSYODDJQJ-LBPRGKRZSA-N 307.350 2.956 0 40 DFAB CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cnoc1C1CC1 583619723 UXOQIIYMVNPCRU-HRCADAONSA-N 306.406 2.568 0 40 DFAB O=C(Cc1cn2ccsc2n1)NC1C2CC3CC(C2)CC1C3 96402223 DZGBGHRZXJEGTG-UHFFFAOYSA-N 315.442 2.879 0 40 DFAB Cc1noc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1 96426271 UWOPKVQFFIDQSN-UHFFFAOYSA-N 320.324 2.754 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(C(C)C)n2)cc1OCC 95534509 LRUGTOIYDDZQKF-CQSZACIVSA-N 304.394 2.774 0 40 DFAB Cc1cc(OC[C@H](O)c2cccc(Br)c2)nnc1C 96415110 AOCSBLVONJBVCG-ZDUSSCGKSA-N 323.190 2.968 0 40 DFAB Cc1noc2nc(C(C)C)cc(C(=O)NCc3cccnc3)c12 95475332 JQOQYGXTLIFIJM-UHFFFAOYSA-N 310.357 2.980 0 40 DFAB Cc1nc(NCc2ccc(-n3cncn3)cc2)c2cccnc2n1 95355459 PTOVYBJFECHMLJ-UHFFFAOYSA-N 317.356 2.526 0 40 DFAB CCOC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2cnn(CC)c21 96100096 OTXYKOBSMMLLJL-HOCLYGCPSA-N 317.433 2.722 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@H](C)[C@@H]2CCCO2)on1 96437754 CCDOTEVEFPDXLX-ABAIWWIYSA-N 309.410 2.945 0 40 DFAB c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)ccn1 96057996 MGCPAHUJWWSBOD-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC(Cc2nccc3cc[nH]c23)C1 257332132 XVWPWTNCJOAXLJ-UHFFFAOYSA-N 323.371 2.946 0 40 DFAB CC(=O)Nc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1 257237032 HEXCZPHEQJKYLO-BSDSXHPESA-N 316.401 2.780 0 40 DFAB O=C(NCc1ccnnc1)c1cccc(Cc2cccc(F)c2)n1 257291901 QJEFZXMTTSTPSV-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB CNc1cc(C)nc([C@H]2COCCN2Cc2sccc2C)n1 257320082 VVHWPJYJWDHSBD-CYBMUJFWSA-N 318.446 2.770 0 40 DFAB CN1C(=O)N(Cc2ccccc2)[C@H]2CC[C@@H](c3cncnc3)[C@H]21 257326779 WYOBEOWKNRVULF-YESZJQIVSA-N 308.385 2.659 0 40 DFAB CC(C)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCCN2)o1 257342777 ZQDHBRSPCIWMPF-CHWSQXEVSA-N 306.410 2.594 0 40 DFAB O=C(NCCc1noc2ccccc12)c1ccnn1C1CCC1 824684474 TVQKDOWFQZNKMU-UHFFFAOYSA-N 310.357 2.722 0 40 DFAB Cc1ccc2oc(C(=O)N3CC[C@@]4(CCCO4)C(=O)C3)cc2c1 585288879 KPKUZOJDKFMNQG-SFHVURJKSA-N 313.353 2.705 0 40 DFAB O=C(NC1CCCCC1)c1cnn2c(-c3cccnc3)ccnc12 585140411 DCZHEZOYIYRXAC-UHFFFAOYSA-N 321.384 2.854 0 40 DFAB CN(C)Cc1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 47460272 ATPDRTNOWPEXHU-UHFFFAOYSA-N 323.396 2.885 0 40 DFAB CS(=O)(=O)/N=C(\O)CCCOc1cccc2ccccc12 48486817 ZUUQFTNSNLKMSU-UHFFFAOYSA-N 307.371 2.915 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)NCCC(=O)N(C)C)oc12 56983172 CCAIWIZGSNXYGI-UHFFFAOYSA-N 302.374 2.566 0 40 DFAB CO/C=C1\CC=CC(CC(=O)OC)=C1Oc1cc(Cl)ncn1 1570001151 JXOQRBDVSAYRJI-DHZHZOJOSA-N 322.748 2.816 0 40 DFAB CCCN(CCC)CCN1C(=O)N[C@](C)(c2ccccc2)C1=O 5760436 SGJLSJKEOUQRSI-GOSISDBHSA-N 317.433 2.576 0 40 DFAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NCCC(C)C 11694304 LLOMCYHGXRWCNQ-UHFFFAOYSA-N 305.353 2.796 0 40 DFAB COc1ccc(CC2=CC(=O)N(Cc3ccccc3)C2=O)cc1 15080819 CNZDPXKBLUBUIM-UHFFFAOYSA-N 307.349 2.733 0 40 DFAB CCOC(=O)c1[nH]c(=S)n(-c2ccccc2)c1C(=O)OCC 17021968 PJLJARJJENHAGL-UHFFFAOYSA-N 320.370 2.888 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncnc3ccc(F)cc23)C1 1889108469 PZHRAEVNGDDNDQ-NSHDSACASA-N 316.380 2.510 0 40 DFAB Cn1c(N2CC[C@H]3CN(c4ccccn4)C[C@@H]32)nc2ccccc21 1889186995 SJOBNYARGZECRS-YOEHRIQHSA-N 319.412 2.683 0 40 DFAB Cc1cc(CN2CCN(Cc3cc(F)cc(F)c3)[C@@H](C)C2)no1 2086938269 HDZNAFFTYMWQSF-LBPRGKRZSA-N 321.371 2.968 0 40 DFAB COc1ccc(-n2c(=S)[nH]c3c(c2=O)S[C@H](C)C3)cc1 26420978 MYRUHVLWSZAJDC-MRVPVSSYSA-N 306.412 2.940 0 40 DFAB O=C1Nc2c(cnn2-c2ccccc2Cl)C2=NCCCN12 19368461 MNDJCTPCFMWPLB-UHFFFAOYSA-N 301.737 2.524 0 40 DFAB CC(C)COc1ccc(NC(=O)[C@H]2C[C@H]2c2cnn(C)c2)cn1 96408110 WSSHIWCLVCCJDL-GJZGRUSLSA-N 314.389 2.592 0 40 DFAB CCO[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 65411433 CDSUYZGYPCNMGV-OAHLLOKOSA-N 323.400 2.821 0 40 DFAB CN1CCN(C(=O)c2cc(Cl)c[nH]2)[C@H](c2ccccc2)C1 30030263 CGLSWRDMUAURJL-HNNXBMFYSA-N 303.793 2.797 0 40 DFAB COc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1 29303 FIXMANJLVPHYTN-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB biogenic O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(F)c1 176601 SZAKSLWGVIHGGR-QPEQYQDCSA-N 311.268 2.899 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N1C[C@H](C)OC[C@@H]1C 45445784 FBXVJDJYMJXFOA-RYUDHWBXSA-N 300.358 2.899 0 40 DFAB CC(C)CNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 1365554 QWFGVBWOHFNKNB-UHFFFAOYSA-N 309.454 2.513 0 40 DFAB CC(C)[C@H](OC(=O)c1ccco1)C(=O)NCc1cccs1 1380997 JVQCTIMOXVYHNZ-ZDUSSCGKSA-N 307.371 2.839 0 40 DFAB Cn1c(C(=O)NC[C@H](O)c2ccccc2)cc2sccc21 40786193 BDOMKUJDOFVYGS-AWEZNQCLSA-N 300.383 2.703 0 40 DFAB O=C(C[C@@H]1C(=O)Sc2[nH]c(=O)sc21)c1ccc(F)cc1 7699133 TYXDEWTYIPZPSG-QMMMGPOBSA-N 309.343 2.564 0 40 DFAB COc1ccc(CCn2cnc3ccccc3c2=O)cc1OC 20763463 DGDNNUVSGKDIOM-UHFFFAOYSA-N 310.353 2.656 0 40 DFAB biogenic Fc1cccnc1O[C@H]1[C@H]2CC[C@H]1N(Cc1ccco1)CCO2 107721878 YSQADFKIWHWAGA-BZUAXINKSA-N 318.348 2.625 0 40 DFAB CCc1ccc2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1 10325316 VLVJUAZZUNKVRG-UHFFFAOYSA-N 309.373 2.944 0 40 DFAB COc1ccccc1/C=C/C(=O)NCCCN1CCC(C)CC1 10540253 CYTDPARAXHIKJJ-CMDGGOBGSA-N 316.445 2.947 0 40 DFAB CCCn1nc(C(=O)Nc2ccccc2O)c2ccccc2c1=O 32719876 LFYWPAXTDJLETD-UHFFFAOYSA-N 323.352 2.764 0 40 DFAB C[C@H](N[C@H]1CCc2n[nH]cc2C1)c1cnn(Cc2ccccc2)c1 96490339 NRTKOCNDFORANB-KSSFIOAISA-N 321.428 2.863 0 40 DFAB O=C(COC(=O)c1ccccc1)Nc1ccc(F)c(F)c1F 479827 UVGOMSRPKBETLI-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@@H](OCC(C)C)C1 89526336 QKNSCTDNLVEVDN-SMDDNHRTSA-N 309.410 2.809 0 40 DFAB COc1ccc([C@H](C)NC(=O)CCn2nc(C)cc2C)cc1F 22102810 PQDJWBHFVGGDPJ-ZDUSSCGKSA-N 319.380 2.915 0 40 DFAB Cc1nc(-c2ccsc2)sc1C(=O)NCCn1ccnc1 53266481 SBGJRNCGYOQGQW-UHFFFAOYSA-N 318.427 2.807 0 40 DFAB Clc1ccccc1[C@@H]1C=C(c2cccnc2)Nc2nnnn21 2918948 REFDWIVQIDZQQX-AWEZNQCLSA-N 310.748 2.778 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)cc1C(N)=O 58167411 MAFAEYAUBGMJAQ-ZWNOBZJWSA-N 323.824 2.546 0 40 DFAB Cc1nc2ccc(C(=O)N[C@@H](C)c3cnn(C)c3C)cc2nc1C 47491627 ARKKUMWJPDWEIX-LBPRGKRZSA-N 323.400 2.780 0 40 DFAB CC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)nc1 47524655 ZQFLNHKPQVWNIM-OAHLLOKOSA-N 318.421 2.715 0 40 DFAB CC(=O)Nc1cccc(NC(=O)N2CCOC[C@H]2C2CC2)c1C 89856865 VJMFHAAPOPTOET-INIZCTEOSA-N 317.389 2.596 0 40 DFAB O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCc2[nH]ncc2C1 89858201 UPHHXKRIKQEDNU-VQIMIIECSA-N 307.397 2.589 0 40 DFAB Cc1noc(COC(=O)Cc2coc3cc4c(cc23)CCC4)n1 25446939 KYQDTIQRZZAINX-UHFFFAOYSA-N 312.325 2.899 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)C1CCCCC1)C2=O 56552573 GDHDVNWMZZXPGK-CXAGYDPISA-N 307.438 2.709 0 40 DFAB CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ccccc21 57445165 JUKYWIMBYSNUGK-IRXDYDNUSA-N 314.429 2.971 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)Cn2ccc(C(F)(F)F)n2)o1 44868606 AYUUCEPMVCXFST-SECBINFHSA-N 301.268 2.681 0 40 DFAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2ccccc2C)no1 58279307 ZVQCFIOIQMYAMK-LAJNKCICSA-N 306.387 2.567 0 40 DFAB CCCN(CCC)C(=O)Nc1cccc(-n2nnnc2C)c1 44935762 NCYSPDGOWBMDKO-UHFFFAOYSA-N 302.382 2.625 0 40 DFAB O=C(NCCCNC(=O)c1c(F)cccc1F)c1cccs1 58315162 CRMZDPPIFKDKDI-UHFFFAOYSA-N 324.352 2.576 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)CCC(=O)c2cccs2)C1 58324002 LAGUBBWLSXOMDV-AWEZNQCLSA-N 322.474 2.948 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12939504 RQHSVKMSCLQVJA-OAHLLOKOSA-N 308.337 2.954 0 40 DFAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1 48542118 GYTPLQFLWNCZIG-LBPRGKRZSA-N 306.793 2.927 0 40 DFAB O=C(Cc1cccc2ccccc12)Nc1nn2cnnc2s1 14083896 HBYNXHWVNFPIHU-UHFFFAOYSA-N 309.354 2.520 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1 69581787 CABIMBYSUUWBNW-KGLIPLIRSA-N 320.458 2.631 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1 14246010 AZHCMSNTGKYZDF-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB CCCC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 6553013 WCRQBIACKMLSRY-UHFFFAOYSA-N 302.355 2.753 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1 6537165 OYJNUOALPYZIJA-UHFFFAOYSA-N 319.307 2.709 0 40 DFAB CN1CCN(C(=O)c2cnc3ccccc3n2)c2ccccc2C1 69591901 RNDBQAVFOIKUEY-UHFFFAOYSA-N 318.380 2.722 0 40 DFAB 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2.655 0 40 DFAB COC[C@H](C)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8734168 SJWMHSOUTNUUTI-JTQLQIEISA-N 324.377 2.724 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C)cs2)c(OC)c1OC 9586518 GPMUWFYZOVXVPF-UHFFFAOYSA-N 322.386 2.659 0 40 DFAB C[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)c1nc[nH]n1 92868356 VPCWNXQKHKBOLM-SECBINFHSA-N 314.374 2.811 0 40 DFAB CN1C(=O)C[C@@H](NCc2cccnc2)[C@@H]1c1ccc(Cl)cc1 92849923 XTJXJAHGVLMISK-WBVHZDCISA-N 315.804 2.797 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H](c2ccccc2)O1 71827188 MOPCLLWDJQIWLY-SJKOYZFVSA-N 311.385 2.889 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)C1 71825589 SSDYBMWSPLOZJC-LLVKDONJSA-N 307.419 2.584 0 40 DFAB Fc1ccccc1CN1CCC(CNC[C@@H]2CCCO2)CC1 19735504 ZWXLBRRULUXMDJ-KRWDZBQOSA-N 306.425 2.806 0 40 DFAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccccc1O 9609118 PUKUEYCJNJUVDI-UHFFFAOYSA-N 320.348 2.914 0 40 DFAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccsc2=O)cc1 71921875 PTKYNEOVXCRCFR-CYBMUJFWSA-N 318.442 2.986 0 40 DFAB O=C(NCC1(O)CCSCC1)Nc1cccc(Cl)c1 71915853 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COCC[C@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 95448701 GPIZQQCOMZLYMO-BBRMVZONSA-N 324.396 2.642 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2nc(C)cs2)C12CCC2 84800762 UYUCKCYYKZBCAN-QWHCGFSZSA-N 323.462 2.941 0 40 DFAB CN(C[C@H]1CCCO1)C1CCC(NC(=O)OC(C)(C)C)CC1 95964047 CGXWPHOZZBAEFI-YMAMQOFZSA-N 312.454 2.933 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 88619750 ZMIZRTZBGSDZCG-GJYPPUQNSA-N 314.429 2.711 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N1CCCCCCC1 9957754 YEBPKAGOGIUQOX-UHFFFAOYSA-N 302.418 2.908 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cccc2ccccc12 409385059 GZJGUGDCHCPDPZ-NNFUDEMPSA-N 323.348 2.823 0 40 DFAB O=C1C[C@H](c2nc(C3CC3)no2)CN1Cc1ccccc1F 38922530 KEVCDUQOVTUFJI-LBPRGKRZSA-N 301.321 2.602 0 40 DFAB CC(C)C(=O)N1CC[C@@H](c2c(C(N)=O)sc3ccccc23)C1 72352183 HUWFGVHIXBLCLQ-LLVKDONJSA-N 316.426 2.972 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)CCC2CCCC2)C[C@@H](C)O1 40047424 YGCAMBKYOPHVMC-HUUCEWRRSA-N 310.482 2.961 0 40 DFAB Ic1ccc(OC[C@H]2CCCNC2)cc1 42782841 DAWPAWQKAKCZGR-JTQLQIEISA-N 317.170 2.670 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC 225455798 CNIJRUUAVDTKOA-GJZGRUSLSA-N 304.434 2.771 0 40 DFAB COc1ccc(C[C@@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225102499 VXZRNJZKLWUTTN-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB O=C(NCc1ccco1)c1cc2cccc(Cl)c2oc1=O 226039108 RACRSNAFUGHCIL-UHFFFAOYSA-N 303.701 2.969 0 40 DFAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(=O)OC1 225913838 LPEKGNPITDNNAA-UHFFFAOYSA-N 319.235 2.697 0 40 DFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CC 224308914 LLIQSHIALAKKMU-CQSZACIVSA-N 310.825 2.993 0 40 DFAB CC[C@](C)(NC(=O)Nc1ccc(OC)nc1)c1nccs1 96417590 ZJDMYNXRCNZPME-AWEZNQCLSA-N 306.391 2.994 0 40 DFAB COc1ccc(CN2CCC[C@H](Cc3ccn[nH]3)C2)c(OC)c1 257321368 WBJOCKCWHQSHPH-CQSZACIVSA-N 315.417 2.882 0 40 DFAB Cc1c[nH]c(-c2cc([C@H]3CCCN3c3ncccn3)nc(C)n2)n1 257320697 VYCMCYPVHPMJCI-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB Cc1cnc(C2(C)CCN(S(=O)(=O)C(C)C)CC2)s1 257323398 WJYYWLNQTIXNKG-UHFFFAOYSA-N 302.465 2.543 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)c2cccc(Cl)c2)cc1 90611679 CLSORRHXSKKVLD-MRXNPFEDSA-N 318.804 2.869 0 40 DFAB Cc1ccn2cc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)nc2c1 58369457 HDVYMCGOIWJDHU-GDBMZVCRSA-N 315.417 2.968 0 40 DFAB C[C@H](C(=O)Nc1nc2c(s1)CCCCCC2)n1cncn1 55375699 VYQUKUTTXJYAEU-SNVBAGLBSA-N 305.407 2.593 0 40 DFAB O=C(C1CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 95394986 FIWODRZXMSEDLG-AWEZNQCLSA-N 315.348 2.873 0 40 DFAB CC(C)(CN[C@H]1CCc2cc(Br)ccc21)C(N)=O 195558766 XOHRBSUISULWBO-LBPRGKRZSA-N 311.223 2.538 0 40 DFAB O=C(O)CN(Cc1ccccc1)C(=O)c1ccc2ncccc2c1 97035550 PUTUIVMAUDVDCC-UHFFFAOYSA-N 320.348 2.962 0 40 DFAB COc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2F)c1 13084174 QDRIXDZHSGFJAK-UHFFFAOYSA-N 319.288 2.550 0 40 DFAB CN(C)CCSc1ccc(NC(=O)c2cccc(F)c2)nn1 13701866 KHLAKSKSGIHSCU-UHFFFAOYSA-N 320.393 2.522 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NC1CC1 3409380 KLDAAAJKBYEYHE-QHHAFSJGSA-N 314.168 2.828 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1C 7234882 UAQWZBOYBQHJLV-MRVPVSSYSA-N 310.810 2.896 0 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316.426 2.551 0 40 DFAB C[C@H]1CCc2c(C(=O)NCCCn3cccn3)csc2C1 40072029 GASXYBRUVPNOBN-LBPRGKRZSA-N 303.431 2.890 0 40 DFAB CC(C)CO[C@@H](C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 40091978 QIINBYRKBZOKTG-XJKSGUPXSA-N 310.413 2.606 0 40 DFAB COc1ccc(CCNC(=O)c2c(F)cccc2F)cc1OC 2380897 HCLXZZLVAQVNLL-UHFFFAOYSA-N 321.323 2.955 0 40 DFAB Cc1cnc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cn1 10870194 SQCWILINJXATFY-UHFFFAOYSA-N 322.324 2.883 0 40 DFAB O=C(NC1CC1)c1ccccc1NC(=O)c1cccnc1Cl 16015566 OIRSJMFKJDBHSX-UHFFFAOYSA-N 315.760 2.880 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)N1c2ccccc2C[C@H]1C 2635010 TWGIJTVTOVQQTI-NXEZZACHSA-N 305.428 2.997 0 40 DFAB CCc1ccc(-c2n[nH]c(S[C@H]3CCCCNC3=O)n2)cc1 28936390 JJFWIETWIRWMBW-ZDUSSCGKSA-N 316.430 2.795 0 40 DFAB CCc1ccc(NC(=O)COC(=O)COc2ccccc2)cc1 3388832 PAPRTFSPNFHXCA-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB O=C(COC(=O)c1cccs1)c1ccc2c(c1)OCCO2 269050 YVFPHXNPPNDGRJ-UHFFFAOYSA-N 304.323 2.559 0 40 DFAB CC(C)c1noc(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)n1 29145519 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Cc1cccc(C2(C(=O)N[C@@H](C)c3nnc4ccccn34)CC2)c1 53029320 BVYRRPMPKNBSCD-AWEZNQCLSA-N 320.396 2.947 0 40 DFAB CCn1c(C)nnc1SCC(=O)c1ccc(OC)c(OC)c1 7871119 IIGSSBVMNBTFPW-UHFFFAOYSA-N 321.402 2.599 0 40 DFAB CC[C@@H](CO)N[C@H](C)c1ccc(I)cc1 37238474 NJJWZFVCBOZZGP-SKDRFNHKSA-N 319.186 2.713 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H](C)OC[C@H]1C 46745942 ZYOGUNQBXRUEJW-ZJUUUORDSA-N 306.387 2.961 0 40 DFAB CCN(CC)CCCNc1nc(C)nc2c(C)nn(CC)c12 57312600 LDBOYWSYFBQNCI-UHFFFAOYSA-N 304.442 2.607 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 69416683 NHIVBKRVMKEWJL-HUUCEWRRSA-N 324.380 2.797 0 40 DFAB COC(=O)c1ccoc1COC(=O)C1=Cc2ccccc2OC1 24105706 RXVCLWDOLDKBTH-UHFFFAOYSA-N 314.293 2.585 0 40 DFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1nccs1 43160350 QOKMLTIDSCQKHF-GFCCVEGCSA-N 302.403 2.791 0 40 DFAB CN(C)C(=O)[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 24801977 DXVMKJMDDKCCEL-HNNXBMFYSA-N 317.364 2.533 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N(C)Cc2ccccc2)c1O 3253507 BEEYAHUSVXICJW-UHFFFAOYSA-N 313.353 2.516 0 40 DFAB O=C(O)CCCn1cc(NC(=O)c2cccc(Cl)c2)cn1 1426621 PFZFCGMGPMEBMY-UHFFFAOYSA-N 307.737 2.654 0 40 DFAB O=C(NCCC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccsc1 25189510 TVIASZZFNPBSMU-ZIAGYGMSSA-N 320.458 2.907 0 40 DFAB CCOc1ccc2c(c1)c(=O)c(C(=O)NC1CCCC1)cn2C 22237094 VALVVLWRVWKLOP-UHFFFAOYSA-N 314.385 2.610 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 20455106 PJXMKQGYQOJBMD-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cn1 57362482 VAAQEIJNNOAJJT-VIFPVBQESA-N 302.355 2.601 0 40 DFAB CC(C)=CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3264793 PRZVBMPGEOABNR-UHFFFAOYSA-N 315.413 2.977 0 40 DFAB C[C@@]1(C(=O)NCCc2nccn2C(F)F)CC1(Cl)Cl 58265021 XIRMKTCXCIVLPX-JTQLQIEISA-N 312.147 2.521 0 40 DFAB O=C(/C=C/c1cccnc1)Nc1cnn(Cc2ccccc2)c1 58356395 YDXHQASGNKQBRG-CMDGGOBGSA-N 304.353 2.978 0 40 DFAB CCN(CC)CCNCc1cc(Br)ccc1OC 22075414 YKLZDOUNDVSKEE-UHFFFAOYSA-N 315.255 2.889 0 40 DFAB CN(Cc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 12896459 VLGFDSBZHYKAJV-OAHLLOKOSA-N 312.369 2.668 0 40 DFAB C[C@H](Oc1ccc(Cl)c(Cl)c1)/C(O)=N/S(C)(=O)=O 48486756 WGGDUEMAJUKNQL-LURJTMIESA-N 312.174 2.677 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12939511 RQHSVKMSCLQVJA-HNNXBMFYSA-N 308.337 2.954 0 40 DFAB Cc1cccc(OCCNC(=O)Cc2noc3ccccc23)c1 8094008 IYLLFISKYIMUHV-UHFFFAOYSA-N 310.353 2.874 0 40 DFAB COc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1OC 13252588 HEQXPUULQWUNDB-UHFFFAOYSA-N 307.346 2.677 0 40 DFAB O=S(=O)(Cc1ccc(OC(F)F)cc1)c1nccs1 63870841 BUGRGNRJZNTMQO-UHFFFAOYSA-N 305.327 2.718 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(C2CCCC2)C1 8234545 JATMNEVPEQDUNC-JTQLQIEISA-N 308.328 2.694 0 40 DFAB O=C([C@@H]1CSCN1)N1CCc2cc(Cl)cc(Cl)c2C1 119665747 CMOIVGOZIYKCHF-LBPRGKRZSA-N 317.241 2.541 0 40 DFAB O=C(c1cc[nH]n1)N1CC(OCc2cccc3ccccc23)C1 81802037 UISAHBPRPSXZMH-UHFFFAOYSA-N 307.353 2.604 0 40 DFAB CN(C)c1cccc(-c2nn3c(-c4cccnc4)nnc3s2)c1 4414517 HDYNVSDUUWNBSC-UHFFFAOYSA-N 322.397 2.981 0 40 DFAB O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1 5475090 QRNBJPKJWPAVBT-UHFFFAOYSA-N 315.369 2.549 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1C 6647328 WQVGOJZSKOPKJL-UHFFFAOYSA-N 317.410 2.888 0 40 DFAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)Nc1ccccc1F 66298895 WGIVTUNKOSCISM-XFNZEKPQSA-N 324.377 2.706 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)N[C@@H]1C[C@H]1c1ccccc1 67554541 IEJCOUFKNOBBCM-GOEBONIOSA-N 319.368 2.945 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)CCc1c[nH]c2ccccc12 80382615 PRLZRSXHGHFWEY-UHFFFAOYSA-N 309.369 2.746 0 40 DFAB CCc1cccc2c1N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)CCC2 69892973 AYVJRWGYDLXFFB-CYBMUJFWSA-N 323.458 2.740 0 40 DFAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](C)O[C@H](C)C1 27975383 ORVKBLKAMMVBLP-MCIONIFRSA-N 303.402 2.578 0 40 DFAB O=C(NCCCn1ncc2c(Cl)cccc21)c1cccnc1 71196088 LIFDIEJBBRTHOK-UHFFFAOYSA-N 314.776 2.905 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2ccc3cc(OC)ccc3n2)C1 71825587 FLKXAFVMEIMMII-OAHLLOKOSA-N 314.385 2.885 0 40 DFAB C[C@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 71841928 VAAXHSDOZHYNBX-LBPRGKRZSA-N 322.840 2.992 0 40 DFAB C[C@H]1CN(Cc2ccc(Cl)s2)CCN1Cc1nccn1C 71863842 GHPWWPFIPOAOJV-LBPRGKRZSA-N 324.881 2.841 0 40 DFAB O=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)Nc1ccccc1 96006518 CPFUVNHHPAWOKF-HNNXBMFYSA-N 322.767 2.741 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@]1(C)CC1(Cl)Cl 71899989 OQXXCXGDYUNDDQ-MADCSZMMSA-N 304.221 2.798 0 40 DFAB CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1 71856729 JNLADWUIYIFCSH-UHFFFAOYSA-N 313.492 2.742 0 40 DFAB CC(=O)Nc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 9338031 ATSSSGRUVWNYNH-UHFFFAOYSA-N 314.370 2.535 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccsc2)c1C 9337830 LJQXQCUTIGIHKN-UHFFFAOYSA-N 305.355 2.935 0 40 DFAB Fc1ccc(Cc2noc(N[C@@H]3CCO[C@H]3C3CC3)n2)cc1 89787954 ZIMQYPGTJCKVNG-HIFRSBDPSA-N 303.337 2.779 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 83897694 HNKNSVPDWJQQBA-MGPQQGTHSA-N 306.410 2.604 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cc1 72235176 DZWPQTSFTCTIML-KRWDZBQOSA-N 312.417 2.935 0 40 DFAB C[C@H](CCO)NC(=O)Nc1ccc(OCC(F)(F)F)cc1 72291984 WDMIANYFIAOOLK-SECBINFHSA-N 306.284 2.520 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CC[C@@H](C(=O)O)C1 97039315 HTDRUJGQDVFAKO-MNOVXSKESA-N 315.291 2.617 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)[nH]n1 76651245 QGVSXQDUEYUFEC-CQSZACIVSA-N 324.428 2.634 0 40 DFAB CCn1ccc2ccc(NC(=O)NCCc3ccnn3C)cc21 97140922 BJYNPROOHTUVJN-UHFFFAOYSA-N 311.389 2.759 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1ccncc1Br 97148371 ZPPZYJISDVEPIW-MNOVXSKESA-N 300.152 2.568 0 40 DFAB Cc1ccc(NC(=O)COC(=O)CSc2ccncc2)cc1 72331072 MBHMNAJTRMYZAA-UHFFFAOYSA-N 316.382 2.664 0 40 DFAB COC(=O)[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(C)(C)C 72310373 MYDYMKRCDAPJJL-LLYBFZRZSA-N 307.365 2.933 0 40 DFAB C[C@H]1CC(C)(C)N(C(=O)[C@@H](C)S(C)(=O)=O)c2ccccc21 97232405 MHKGFIAMPOAJJW-NWDGAFQWSA-N 309.431 2.739 0 40 DFAB CC(=O)N1CC[C@@H](CN(C)[C@H](C)CCc2cccc(F)c2)C1 97371348 HNTZTDAEGXXAMI-PBHICJAKSA-N 306.425 2.947 0 40 DFAB C[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 84697616 CSDCIZVAPJPMLB-FUHWJXTLSA-N 316.445 2.536 0 40 DFAB Cn1cc(CCOC(=O)c2ccccc2OC2CCC2)cn1 95398630 MHAWXULTTXXJGL-UHFFFAOYSA-N 300.358 2.751 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NC1CCN(C(N)=O)CC1 95422390 ASYATLSXKRKMGY-JTQLQIEISA-N 311.813 2.542 0 40 DFAB COCCOc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)ccn1 95464619 CRGVAITWQQPONF-LBPRGKRZSA-N 319.361 2.925 0 40 DFAB CCN(C(=O)[C@H]1CC1(C)C)c1ccccc1S(=O)(=O)CC 95435021 YAIXENNDEDUFJY-GFCCVEGCSA-N 309.431 2.879 0 40 DFAB COc1cc2c(cc1CNC(=O)CCc1ccco1)O[C@@H](C)C2 95430970 VPWWCCLZZFIKPW-LBPRGKRZSA-N 315.369 2.861 0 40 DFAB COC(=O)c1occc1CSc1ncn(-c2ccccc2)n1 73324728 SIGXHCYFSZMLOD-UHFFFAOYSA-N 315.354 2.939 0 40 DFAB CC1(C)CCCN(C(=O)NCc2nnc3n2CCCCC3)CC1 73523152 DQJUPJWDDKNCEQ-UHFFFAOYSA-N 319.453 2.726 0 40 DFAB CN(CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 95940302 HMWCDVSHLHGFKI-GHMZBOCLSA-N 311.784 2.956 0 40 DFAB O=C(O)c1cccc(C(=O)N[C@H](c2nccs2)C2CC2)c1 95976728 OSYQRDODMVSBNF-LBPRGKRZSA-N 302.355 2.722 0 40 DFAB COc1ccccc1N1CCC[C@@H](NC(=O)NC2CC=CC2)C1 89473861 FVUNLQGKPWDOBP-OAHLLOKOSA-N 315.417 2.682 0 40 DFAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCOCC1 22245405 JSUJVURMEJLKNT-UHFFFAOYSA-N 317.414 2.692 0 40 DFAB Cc1ccc(-c2snnc2C(=O)NCc2ccccn2)cc1 71195325 VVWOHSXNDSRINK-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB CN1CCC[C@H](c2cccc(C(=O)N3CCCCCC3)n2)C1 72359255 DZVLXBIBCCEUKJ-HNNXBMFYSA-N 301.434 2.907 0 40 DFAB C[C@@](O)(CNC(=O)CCSc1ccccc1)c1ccco1 75156219 NTRWDVSQTWOXHR-MRXNPFEDSA-N 305.399 2.786 0 40 DFAB CN(Cc1ccco1)C(=O)[C@@]1(C)Sc2ccccc2NC1=O 40773845 YRGDOGHLYQTDEQ-INIZCTEOSA-N 316.382 2.741 0 40 DFAB O=C(COc1nn(-c2ccccc2)cc1Cl)NC1CCCC1 227152045 ZBBSZIOLVBNBOT-UHFFFAOYSA-N 319.792 2.963 0 40 DFAB Cc1cc(C(F)(F)F)ccc1CNC[C@]1(O)CCSC1 191009745 MTAGLSHGRHDYEH-CYBMUJFWSA-N 305.365 2.971 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccccn2)CC1 43390705 UJKHPLSEARPWFC-UHFFFAOYSA-N 322.412 2.924 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 40160906 HWLPWSOKMYOQGJ-HUUCEWRRSA-N 319.401 2.564 0 40 DFAB CC[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nc(C)n[nH]1 81859906 KAEJTJRZCYYSCA-UONOGXRCSA-N 316.430 2.711 0 40 DFAB COc1cccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c1 49924842 ABVZIDNNPOMKLD-LLVKDONJSA-N 311.790 2.874 0 40 DFAB CN(C)C1(CNC(=O)CSc2ccc(F)cc2)CCCC1 40092690 YSFSPCJTDMKJBT-UHFFFAOYSA-N 310.438 2.908 0 40 DFAB COc1c(Cl)cccc1NC(=O)N(C)Cc1cnccn1 96410614 VSQGGRRAERMJTO-UHFFFAOYSA-N 306.753 2.803 0 40 DFAB CSC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96440461 OCQBVMBRBOLTRU-STQMWFEESA-N 318.446 2.984 0 40 DFAB CO[C@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1ccccc1 96500448 OBXGXVYKJLAUIR-INIZCTEOSA-N 308.341 2.798 0 40 DFAB COCCNc1ccccc1CNc1ccc2nccnc2n1 95417589 AJMMIHBAYHICHH-UHFFFAOYSA-N 309.373 2.695 0 40 DFAB CCOC(=O)C1(C(=O)N2CCc3c(Cl)cccc3C2)CC1 96444777 MJSDCMCJKXEASG-UHFFFAOYSA-N 307.777 2.568 0 40 DFAB CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)c1ccccn1 96413640 XRNKCEQROWURNU-OAHLLOKOSA-N 315.348 2.673 0 40 DFAB Cc1nsc2ncn(C[C@H](O)c3ccccc3Cl)c(=O)c12 330032807 RXWCRVFGGFCVMC-NSHDSACASA-N 321.789 2.548 0 40 DFAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(F)cc2Cl)n(C)n1 96491912 SUFNEYQULFNNLF-SNVBAGLBSA-N 324.787 2.810 0 40 DFAB CC[C@@](Br)(C(=O)c1ccc(C)cc1)S(C)(=O)=O 96518678 RIAZWPZBRMVSQC-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 96436277 PSLAIEXWIUAXDB-ZIAGYGMSSA-N 319.355 2.849 0 40 DFAB CC(C)n1cc(S(=O)(=O)N(C)C[C@H](C)c2ccccc2)cn1 96427896 XPAFXUYYMBLCLZ-AWEZNQCLSA-N 321.446 2.888 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)n1 257336100 YNDRFFGFLFVSHM-ZDUSSCGKSA-N 316.405 2.545 0 40 DFAB Cc1ccccc1[C@@H](CO)NC(=O)CCc1c(C)noc1Cl 536422417 NNWVULLLCQXDDF-CQSZACIVSA-N 322.792 2.727 0 40 DFAB Cc1cc(N2CCC[C@H]2c2cncc(-c3nc(C)c[nH]3)n2)ncn1 257206580 BECIQGHTWSVDCP-HNNXBMFYSA-N 321.388 2.615 0 40 DFAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CC1CCCC1 257210476 BUUCXEMUTLLUNO-INIZCTEOSA-N 317.433 2.525 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](Cc2ccn[nH]2)C1 257327437 XBJNBSIKMYELST-CQSZACIVSA-N 309.413 2.993 0 40 DFAB NC(=O)[C@H]1CCCN1Cc1cccc(N[C@H]2CCC23CCC3)c1 282669502 JAGFGSLYYTUKCQ-SJORKVTESA-N 313.445 2.881 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3(F)F)cc1 650599301 LMUFKDUBWWDJEZ-UHFFFAOYSA-N 308.328 2.906 0 40 DFAB COCc1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)[C@H]2C 585097592 NCSIUEAWMCKGPL-JTQLQIEISA-N 324.787 2.794 0 40 DFAB Cc1ccc(-n2ncc(/C(O)=N/S(C)(=O)=O)c2C(C)C)cc1 48487074 VNGODPXZMSSXAA-UHFFFAOYSA-N 321.402 2.568 0 40 DFAB NC(=O)c1cnc(N2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 48607852 KPKCAPNFWDMMLV-MRVPVSSYSA-N 307.703 2.613 0 40 DFAB Cc1noc(C2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1 54677993 GZRHKVYLVCUEOE-SNVBAGLBSA-N 305.382 2.825 0 40 DFAB CN(CC(=O)N1CCCC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 58342876 OJSQUBHRNALEQD-GJZGRUSLSA-N 320.820 2.524 0 40 DFAB O=C(NCc1cccc(N2CCCCC2=O)c1)c1ccccn1 55661962 OJMTZWHIRHGJOM-UHFFFAOYSA-N 309.369 2.529 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccnc(-n2ccnc2)c1 58433672 MIPKKJUSVCDVBI-JKSUJKDBSA-N 322.343 2.692 0 40 DFAB Cc1ccccc1[C@H](C)N(C)Cc1nc(O)c2cnn(C)c2n1 65410958 PSXOXAIPUNISQS-LBPRGKRZSA-N 311.389 2.570 0 40 DFAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(Br)s2)C1 70172868 VGASLXXFLCZSGM-RKDXNWHRSA-N 317.252 2.710 0 40 DFAB CCn1cc(S(=O)(=O)N(CC(C)(C)C)c2cccnc2)cn1 75142128 MTDKQSBVKADZNF-UHFFFAOYSA-N 322.434 2.539 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)CCO2)[C@@H](O)c1ccc(F)cc1 95430002 MKBLSVSTFWPTDM-PIGZYNQJSA-N 315.344 2.613 0 40 DFAB Cc1nc(C)c(CN2CCN(Cc3ccccc3)C(=O)C2)s1 1206179674 YNLCSQZYWLVBTG-UHFFFAOYSA-N 315.442 2.604 0 40 DFAB O=C(O)c1ccc(CSc2nc3ccccc3[nH]c2=O)cc1 5819293 AMTOZYFAALVIQY-UHFFFAOYSA-N 312.350 2.914 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5201295 OGIKCYXONOYQTL-KRWDZBQOSA-N 322.364 2.979 0 40 DFAB Cc1cc(OC(=O)C(F)(F)F)n(-c2nc3ccccc3[nH]2)n1 13639564 LNRXVFYSBQHYOH-UHFFFAOYSA-N 310.235 2.525 0 40 DFAB CCOP(=O)(OCC)O[C@@H](O)C(Cl)(Cl)Cl 16688026 HMLVTGCRQBZARH-RXMQYKEDSA-N 301.490 2.873 0 40 DFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2CCOC2)n1 19240144 DSBMQZPJEGQFCN-STQMWFEESA-N 322.455 2.950 0 40 DFAB CCOc1ccc(SCC(=O)Nc2nnc(C)s2)cc1 19627449 ASGOUPDFBWGCGU-UHFFFAOYSA-N 309.416 2.976 0 40 DFAB O=c1c2cc(F)ccc2nc2n1CCN(Cc1ccccc1)CC2 19372438 OXSUCHFCGLFGHR-UHFFFAOYSA-N 323.371 2.594 0 40 DFAB COc1ccc(C)cc1NC(=O)c1ccccc1S(C)(=O)=O 6394893 CFUKKPNOSJNCRK-UHFFFAOYSA-N 319.382 2.659 0 40 DFAB COc1cccc(C(=O)NCCc2cn3cccc(C)c3n2)c1 2960983 FYJCVTOIUOFCMW-UHFFFAOYSA-N 309.369 2.624 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cccc(C)n3)CC2=O)cc1 4272591 ZHWMZLPIHAJDPC-AWEZNQCLSA-N 324.384 2.625 0 40 DFAB CC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CS1 4902186 OZZPOSIOKHHVCR-UHFFFAOYSA-N 311.410 2.859 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 7725065 XJBIPWHRUNXSJZ-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB CC(C)(C)C(=O)N1CCc2onc(COc3cccnc3)c2C1 2055782244 SVTHEANIFGULTM-UHFFFAOYSA-N 315.373 2.579 0 40 DFAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@@H]1c1ccccc1 36556714 NWEADRPFLOCGNK-XUWXXGDYSA-N 304.386 2.842 0 40 DFAB COC1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 44450153 BIQWEOAYQUMVMO-UHFFFAOYSA-N 311.447 2.784 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1cccc(Cl)c1 85559826 XRZCECXFGTUFOF-SFHVURJKSA-N 315.800 2.990 0 40 DFAB CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H](C)O 90701 LJIJSXULDIAZRF-NSHDSACASA-N 318.373 2.603 0 40 DFAB CNC(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 30453468 FTUQTBCVBSWQRR-UHFFFAOYSA-N 320.751 2.769 0 40 DFAB O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1ccccc1 195852 BHLADZQKEUJJEB-INIZCTEOSA-N 316.401 2.949 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 202726 RHHRRJQNVUNINO-KSSFIOAISA-N 317.385 2.824 0 40 DFAB biogenic CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2C=O)cc1 2454646 RQBGUEOUQNOTTP-UHFFFAOYSA-N 323.352 2.958 0 40 DFAB COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1 1358419 YPLSBDMOKAWKNV-UHFFFAOYSA-N 313.357 2.937 0 40 DFAB O=C1O[C@H](C(=O)NC2CCCCC2)Cc2ccc(Cl)cc21 8021016 GEYJRLXQDAUACE-AWEZNQCLSA-N 307.777 2.870 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1ccc(Br)cc1 3508630 QEGXHBMJTVIBQC-VIFPVBQESA-N 314.179 2.521 0 40 DFAB Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)o1 21057539 ORYUIOJQQRPEGB-STQMWFEESA-N 308.422 2.514 0 40 DFAB COCCNC1=NC=N[C@@H]2SC=C(c3ccc(C)cc3)[C@@H]12 57369731 RGDGJMJVHWEICB-GOEBONIOSA-N 301.415 2.701 0 40 DFAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ncccn2)C1 8992212 NPRDLSYLPYGDMV-LBPRGKRZSA-N 316.792 2.985 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(NC(N)=O)cc1 75141488 KSGDFMOMDKBSDU-ZLDLUXBVSA-N 301.390 2.970 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N1CCNC(=O)CC1)C(C)(C)C 89689133 DECKXVUQADYGFS-MRXNPFEDSA-N 317.433 2.614 0 40 DFAB Cc1csc(CNC(=O)c2ccc(Br)o2)n1 22282253 XTWFKPJKIYEJMM-UHFFFAOYSA-N 301.165 2.737 0 40 DFAB O=C(NCCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 52843174 MVROAGSRRVKUEC-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB COc1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1C 22836878 OEEKKVIYVYAHDK-AWEZNQCLSA-N 313.353 2.573 0 40 DFAB O=C(/C=C/c1ccccc1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404366 FXDMXAOZVANHKY-RJCHQFKYSA-N 320.392 2.507 0 40 DFAB Cc1cc(F)ccc1NC(=O)NCc1ccccc1OCCO 76021397 JIAHRXDMWSCBEA-UHFFFAOYSA-N 318.348 2.827 0 40 DFAB COC(=O)C1(NC(=O)[C@@]2(C)CC2(Cl)Cl)CCCCCC1 23056396 BHNACORIZCCCAQ-GFCCVEGCSA-N 322.232 2.953 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)n1C 24115941 MOHIYLUXHOTQQO-UHFFFAOYSA-N 311.429 2.859 0 40 DFAB Cc1cccc(C)c1OCCCNc1cnn(C)c(=O)c1Cl 54981026 LOVBSCCCLOYDQX-UHFFFAOYSA-N 321.808 2.932 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cccc(F)c1 24652690 MKPOXYZLDLZVMO-OAHLLOKOSA-N 315.344 2.667 0 40 DFAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 111926440 QKOLTXHGZYRLAZ-GOSISDBHSA-N 313.422 3.000 0 40 DFAB O=C(C[C@H]1CCCO1)NC[C@@H]1CCCN(Cc2ccccc2)C1 106833027 MQOHATDNKJOHBF-ZWKOTPCHSA-N 316.445 2.584 0 40 DFAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1ncccn1 27974851 BEHPMMZAVYRKTI-SECBINFHSA-N 322.162 2.645 0 40 DFAB Oc1nc(Cl)nc2c(I)cccc12 26899516 CHJFBURJONTQCQ-UHFFFAOYSA-N 306.490 2.593 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1Cl 170337986 IOCRSFVMBYKDDW-BXUZGUMPSA-N 308.809 2.651 0 40 DFAB C[C@](O)(CNC(=O)NCCc1ccsc1)c1ccc(F)cc1 89901057 BKCCLFBBHBSFTQ-INIZCTEOSA-N 322.405 2.637 0 40 DFAB CN(C)C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)CCO1 75605774 YODKOKKWAGZWPT-CQSZACIVSA-N 319.836 2.651 0 40 DFAB C[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)C1 44872157 OCDRYGJSQKCUOG-BOLDSZDNSA-N 310.401 2.598 0 40 DFAB CCc1nncn1CCNC(=O)N[C@H](C)c1cccc(Cl)c1 76084545 QITIHMFFZMYUNA-LLVKDONJSA-N 321.812 2.554 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccncc1 44952041 UCEANDHACFKYIW-ZDUSSCGKSA-N 311.389 2.960 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N2CCSCC2)cc1C 47967702 HFDWJDKETQNZSR-UHFFFAOYSA-N 307.419 2.924 0 40 DFAB CNc1snc(C)c1C(=O)NCCOc1cccc(C)c1 27998871 ICJQQAPCHBNDNR-UHFFFAOYSA-N 305.403 2.610 0 40 DFAB Cn1ccc(NC(=O)NCCOc2ccc3ccccc3c2)n1 10585213 VRMLLIBFNWVGAA-UHFFFAOYSA-N 310.357 2.774 0 40 DFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)CCO2 12681391 PCRJEMSUHPFZAJ-UHFFFAOYSA-N 323.270 2.685 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc(OC)cc2OC)cc1 12844519 RVVDCOAZKAAEOS-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)OC)c1C 12974764 NVIBWWKCKRQUBJ-NSHDSACASA-N 301.342 2.824 0 40 DFAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cccs2)c(F)c1 8338791 IURYODYOOLFLKM-UHFFFAOYSA-N 321.329 2.885 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1CN 70175862 QFVFOEBJPWEUHM-ZWNOBZJWSA-N 300.324 2.905 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2c[nH]nc2-c2cccs2)c1 69490056 HSQFRKRIPMCJCM-GFCCVEGCSA-N 301.419 2.821 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Br)cc1 4008884 ZMEMGCNZTHHVPD-KGOITJQVSA-N 320.186 2.985 0 40 DFAB C[C@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@@H](C)O1 14092733 ZCVKCRRYQNDZSY-PHIMTYICSA-N 306.387 2.556 0 40 DFAB C[C@@H](Nc1ncnc2ccsc12)C(=O)N1CCCC[C@H]1C 65593427 REPSZVINSRQSDT-GHMZBOCLSA-N 304.419 2.893 0 40 DFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)nc2)cc1 8514572 JIVDTVXXADVKSS-LLVKDONJSA-N 315.325 2.527 0 40 DFAB CN(C(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1CCOC1 69663363 VRQCQEDNXODBMW-HNNXBMFYSA-N 316.426 2.524 0 40 DFAB O=C(O)c1ncc(Br)c(Cl)c1Br 14982582 LDVRSYYPLMRROO-UHFFFAOYSA-N 315.348 2.958 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C 15079786 GLFNGGLQSOLIQC-GFCCVEGCSA-N 302.296 2.805 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(C)(=O)=O)c1 17963396 ONXATFZXHNNNFW-ZDUSSCGKSA-N 317.410 2.890 0 40 DFAB Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CCN(c2cnn(C)c2)C1=O 90018303 NRALELWMRHYNTC-XYPHTWIQSA-N 324.428 2.672 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3COc4ccccc43)C2)n[nH]1 76059833 PPGFKCLCXXKNGR-ZFWWWQNUSA-N 311.385 2.600 0 40 DFAB O=C(OC/C=C/c1ccccc1)c1ccc(-n2cnnn2)cc1 7250623 PCSGMQLRRURGRZ-QPJJXVBHSA-N 306.325 2.533 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)s1 7313866 GYCUCDPFOQEVLV-QLJPJBMISA-N 320.414 2.740 0 40 DFAB COc1ccc(C(=O)NCCOc2cccc(C)c2)c(O)c1 18147293 XDFXJFYTIDZTIN-UHFFFAOYSA-N 301.342 2.518 0 40 DFAB C[C@@H](CNC(=O)N(C)CC1CCN(C)CC1)Cc1cccs1 76088252 QQTLMQTZDRXWEC-CQSZACIVSA-N 323.506 2.910 0 40 DFAB CC(C)C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2[nH]1 9115292 DFHSQJCBFQVMAG-LSDHHAIUSA-N 301.390 2.945 0 40 DFAB COc1cccc2cc([C@H](C)NC(=O)NCc3ccon3)oc12 83173703 HSWJOVYITKGMLR-JTQLQIEISA-N 315.329 2.990 0 40 DFAB Cc1cnn(CC2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)c1 71876483 HNHTZDDHVFLIDS-GOSISDBHSA-N 317.408 2.776 0 40 DFAB COc1ccccc1CC(C)(C)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 78894598 DNPQCCDNFIFDIK-GOEBONIOSA-N 318.461 2.672 0 40 DFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)COCC1CC1 78804905 NDYGYTZHRUEFPX-WMZOPIPTSA-N 314.429 2.556 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)C2)n[nH]1 78902112 FSPIGJUKZVXJPM-BZUAXINKSA-N 310.401 2.623 0 40 DFAB C[C@@H](O)CNc1ccc(C(=O)Nc2cccc(Cl)c2)cn1 72281383 DTOBMXWTTDVUOT-SNVBAGLBSA-N 305.765 2.780 0 40 DFAB Cc1cnn(CCC(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1 72285479 MJUCFYKUAIIWEK-UHFFFAOYSA-N 321.384 2.986 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)no1 72275544 LXJRWBIVSDCQOL-LLVKDONJSA-N 318.377 2.763 0 40 DFAB Cc1cccc2c(CCC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c[nH]c12 97039374 KZCOEHYSZFLAJG-OCCSQVGLSA-N 314.385 2.778 0 40 DFAB Cc1ncsc1C(=O)NC[C@@](C)(O)c1ccccc1Cl 97143426 HDVIMWGKHJRKFX-CQSZACIVSA-N 310.806 2.742 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 72305475 JGJXJOLFMAOPRG-INIZCTEOSA-N 313.353 2.648 0 40 DFAB COc1ccc2c(c1)N(CC(=O)NC1CCC(C)CC1)CCO2 72304941 DLYFJHAUFISJIC-UHFFFAOYSA-N 318.417 2.589 0 40 DFAB Clc1cn[nH]c1-c1nn2c(-c3cccs3)nnc2s1 72404507 RMPXSXBIENWTNF-UHFFFAOYSA-N 308.779 2.958 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 95430021 NMFWOJNOXHRNSX-MEDUHNTESA-N 303.333 2.686 0 40 DFAB O[C@@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccc(F)cc1 95418278 NILYXWHLSLCQSU-INIZCTEOSA-N 324.359 2.866 0 40 DFAB O=C(COc1ccccc1O)NCCCc1cccc(F)c1 95430567 IJDFQYVDDSHGNF-UHFFFAOYSA-N 303.333 2.659 0 40 DFAB CCOc1cc(Cl)ccc1CNC(=O)c1cc(C)nn1C 95434603 BAQXNUNVRMZULW-UHFFFAOYSA-N 307.781 2.711 0 40 DFAB CCC[C@H]1CCCN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC1 84740694 QUZXHOHPWAFJLK-HNNXBMFYSA-N 319.449 2.748 0 40 DFAB c1ccc(-n2ccc(CSc3ncnc4nc[nH]c34)n2)cc1 73966325 XISJKIYFQARWFN-UHFFFAOYSA-N 308.370 2.831 0 40 DFAB O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C[C@@H]2CCCO2)C1 95973878 BOAIBHABMLPJFK-QLFBSQMISA-N 315.335 2.992 0 40 DFAB O=C(NCCC1CC1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 95986842 SMABBMAYQCRIMC-CABCVRRESA-N 310.344 2.894 0 40 DFAB Cc1cccc(CN2CCN(CCN3CCC[C@H](C)C3)CC2)c1 75092791 ONHPUQOXKKLXAS-IBGZPJMESA-N 315.505 2.845 0 40 DFAB O=C(Cn1nnc2ccccc21)OCc1c(F)cccc1Cl 21979714 OJALQQMKCWPDOV-UHFFFAOYSA-N 319.723 2.967 0 40 DFAB COC(=O)[C@@H]1[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 33801085 UTKGFRQTYAYXFH-KBPBESRZSA-N 305.374 2.953 0 40 DFAB Cc1nc(NC[C@H](O)c2ccncc2)c2c(C)csc2n1 127962882 RVJNDJCKWBFKCN-LBPRGKRZSA-N 300.387 2.849 0 40 DFAB COc1ccc(CNC(=O)c2cccc(F)c2)c(OC)c1OC 74384501 VZQVRQQIXUDHOI-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB O=C(Cc1ccsc1)N1CCn2c(-c3ccco3)cnc2C1 306127535 GBDDIQUXGVTOIS-UHFFFAOYSA-N 313.382 2.790 0 40 DFAB CCOC[C@@H]1CN(C(=O)Nc2ccc(CC)c(OC)c2)CCO1 529113760 FIJWARXLVWNOMV-HNNXBMFYSA-N 322.405 2.527 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]2c2ccccc2)cc1 218051873 PXBKHZFENFUAOZ-JYJNAYRXSA-N 316.378 2.636 0 40 DFAB C[C@@H]1C(=O)N(c2ccccc2)CCN1c1ncnc2sccc12 32507869 NBSVTZKYYJRSHH-GFCCVEGCSA-N 324.409 2.933 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1OC(F)F 35824055 ANFBLRNICVPSLR-IOQCUFBNSA-N 319.307 2.990 0 40 DFAB CCOc1cc(CN2C[C@H]3CCCN3C[C@@H]2C)ccc1OC 72324513 ZADMSJYGFAPUIZ-GOEBONIOSA-N 304.434 2.762 0 40 DFAB Cc1ccccc1-c1noc(CN2C(=O)COc3ccccc32)n1 64999046 YKWSEXBWULHUQN-UHFFFAOYSA-N 321.336 2.971 0 40 DFAB COC(=O)c1cc(Br)c2[nH]c(SC)nc2c1 85388583 VMYWMXKCHVSUAE-UHFFFAOYSA-N 301.165 2.834 0 40 DFAB O=C(O)c1cc2cc(NC(=O)[C@@H]3CC34CCOCC4)ccc2o1 521390235 ZZDHFTFXZFWRIQ-LBPRGKRZSA-N 315.325 2.886 0 40 DFAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1Cl 86280264 YDPNALILVKEPGO-MWLCHTKSSA-N 314.744 2.942 0 40 DFAB CCOc1c(F)cccc1C(=O)NCCc1ccn(C(C)C)n1 80400790 AKFPYZUBWFWMLP-UHFFFAOYSA-N 319.380 2.974 0 40 DFAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225602498 JSQNQITUZNUVGD-KRWDZBQOSA-N 308.422 2.771 0 40 DFAB O=C(CCCc1ccccc1)Nc1cnc(-n2cccn2)nc1 224243724 NDWDLQIKYJKHJU-UHFFFAOYSA-N 307.357 2.624 0 40 DFAB CCc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1 224166007 UOVIMFQBKXRZGO-UHFFFAOYSA-N 319.426 2.747 0 40 DFAB COC(=O)C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 225360765 NAVALGGFIILWCI-UHFFFAOYSA-N 315.413 2.910 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccccc1F 96445846 NYYWPWHNOSUMJY-OAHLLOKOSA-N 307.752 2.871 0 40 DFAB COC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 93155832 IZIWKFLVSVFMLJ-UWVGGRQHSA-N 318.826 2.519 0 40 DFAB Cc1ccc2nc([C@@H]3CCCN(CCn4cccn4)C3)[nH]c2c1 96490604 JVUNPXKJAIURON-OAHLLOKOSA-N 309.417 2.947 0 40 DFAB CC(C)COC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 96024381 AFBRROUIRUKIKT-LBPRGKRZSA-N 300.399 2.768 0 40 DFAB OCc1ccc(Br)c(I)c1 97437837 ZHSQRSVNSXTTJH-UHFFFAOYSA-N 312.932 2.546 0 40 DFAB Cc1cc(NC(=O)N2CC[C@H](O)C2)ccc1OCC(F)(F)F 96435077 QSAOXHSNLVWDBP-NSHDSACASA-N 318.295 2.535 0 40 DFAB Cc1ccc(CN2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)s1 96061132 CYSLECOVOAQXDO-OAHLLOKOSA-N 322.474 2.658 0 40 DFAB c1ccc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 96158042 GRPIMYQFUTXKRC-FQEVSTJZSA-N 322.456 2.965 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NCCn3cnnc3C)s2)o1 97238056 RNUBPASGNHYITQ-UHFFFAOYSA-N 316.386 2.646 0 40 DFAB COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1nccc3ccccc13)C2 96501399 XIFNWASLXWYBHC-KUHUBIRLSA-N 324.380 2.650 0 40 DFAB COc1cc(F)c(NCc2cc(C(N)=O)cs2)cc1OC 95448784 ONTRYSRLXACILC-UHFFFAOYSA-N 310.350 2.615 0 40 DFAB CC(C)(C)C(=O)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112005 UUBGAFHAYYSJQS-RISCZKNCSA-N 320.364 2.939 0 40 DFAB biogenic,in-vitro Cc1csc(CCCNC(=O)N2CCS[C@H](C)[C@H]2C)n1 96411438 AVUOIALXKHWIRN-VXGBXAGGSA-N 313.492 2.920 0 40 DFAB Clc1cncc(OC[C@H]2CO[C@@H]3CN(C4CCC4)C[C@@H]32)c1 96209651 LNQVHYIRINVYRU-IUIKQTSFSA-N 308.809 2.613 0 40 DFAB COCCCn1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)n1 96413437 DUZAVBVIMNGOJZ-LBPRGKRZSA-N 306.366 2.738 0 40 DFAB CCS[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96450548 NBSZLGGYNQJFCJ-HIFRSBDPSA-N 316.426 2.932 0 40 DFAB Fc1cccc(CN2C[C@H]3CC[C@H]2[C@@H]3OCCN2CCCC2)c1 247510473 IFJBTJMHLFXPQL-NZSAHSFTSA-N 318.436 2.901 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3c(C)n[nH]c3C)CC[C@@]2(C)C1 257333356 YBGBAVLGIZUELR-KYJSFNMBSA-N 319.449 2.765 0 40 DFAB O=C(c1csc2c1CCCC2)N1CC[C@@H](c2ccn[nH]2)C1 257252561 JVEXOZLTYUOOMT-LLVKDONJSA-N 301.415 2.980 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)COc2ccccc2F)C1 257219479 DGXHRSXHNUADMF-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB CCN(CC)C(=O)CCCn1cc(COc2ccccc2)nn1 252480068 BTZWRNGSCDNYAR-UHFFFAOYSA-N 316.405 2.506 0 40 DFAB COc1ccccc1C(=O)N1CC[C@H](Cc2nccs2)C1 257281638 OQFSSHKLYHUPCN-GFCCVEGCSA-N 302.399 2.857 0 40 DFAB Cn1ccnc1-c1cncc(C2CCN(c3ccccn3)CC2)n1 257247706 JACLMTPPVQNKJC-UHFFFAOYSA-N 320.400 2.656 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1noc2c1CCCC2 257227735 FQQLYAMZQFGNOQ-ZDUSSCGKSA-N 314.389 2.952 0 40 DFAB Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)OCO2 252509353 YLXIRVOPEUVAGQ-KGLIPLIRSA-N 318.373 2.899 0 40 DFAB CCc1occc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O 262979731 PGYXQOVILMHOGV-GFCCVEGCSA-N 301.342 2.958 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 260740948 BPZYLKGSUYHWFK-KCQAQPDRSA-N 309.431 2.779 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)NCC1(c2ccccc2)CC1 45376205 WUGPCAFLOLSKTI-UHFFFAOYSA-N 312.417 2.682 0 40 DFAB Cc1csc(CNC(=O)NCCc2ccc(N(C)C)cc2)n1 65566233 KDGUXKBIKPBZKJ-UHFFFAOYSA-N 318.446 2.559 0 40 DFAB Cc1cc(CCC(=O)NC2CCC2)cc([C@H]2CCCN2C)n1 72360566 ZALUMESIDJFMAB-QGZVFWFLSA-N 301.434 2.758 0 40 DFAB CC(C)c1ccsc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788442 NHEBPWXLURDHMC-CABCVRRESA-N 322.474 2.543 0 40 DFAB Nc1nc(SCc2ccc(Br)c(F)c2)n[nH]1 96452632 RPYMEUMGMSZIBZ-UHFFFAOYSA-N 303.160 2.581 0 40 DFAB O=S(=O)(C1CC1)N1CCS[C@H](c2cccs2)CC1 219547927 DWJKVNLDYPMIRJ-LBPRGKRZSA-N 303.474 2.720 0 40 DFAB O=C(O)c1ccccc1C(=O)OC[C@H]1CCCN2CCCC[C@H]12 5839860 NNMQFPYZEFVSFA-CZUORRHYSA-N 317.385 2.806 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC(C)C)cc12 12325235 CBAQHIORSVQBBU-UHFFFAOYSA-N 314.364 2.659 0 40 DFAB O=P(O)(O)[C@H](NCCc1ccc(F)cc1)c1ccccc1 13004728 QUCSEHLKPFQEHP-HNNXBMFYSA-N 309.277 2.834 0 40 DFAB COCc1cc(C)nc2c1[C@@H]1N=C(CC(C)C)NC(=O)[C@@H]1S2 15107181 MMBNGYUCQQBDSU-UONOGXRCSA-N 319.430 2.626 0 40 DFAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(CC)CC1 19501874 GVXWPRPFKLKQFE-MRXNPFEDSA-N 320.485 2.657 0 40 DFAB O=C(NCCc1c[nH]c2ncccc12)[C@H]1CCc2ccccc21 533100425 QMQVWVGJPQIRAW-KRWDZBQOSA-N 305.381 2.952 0 40 DFAB NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 12050061 OJVQLPGCQDDYNF-LJQANCHMSA-N 318.376 2.725 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 25513761 YODDETLIUYHYCD-OAHLLOKOSA-N 312.369 2.543 0 40 DFAB O=C(O)CCCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1 4651095 JMWOONVIHDHUGE-VMPITWQZSA-N 317.320 2.539 0 40 DFAB CSc1cccc(NC(=O)C(=O)NCc2ccc(F)cc2)c1 10326321 JCQJFAXLYPCWCT-UHFFFAOYSA-N 318.373 2.803 0 40 DFAB COc1cc(C(=O)Nc2ccc(Br)c(C)c2)ncn1 225529187 QFEDGQWOEMJOTM-UHFFFAOYSA-N 322.162 2.808 0 40 DFAB COC(=O)COc1cccc(NC(=O)Cc2cccc(F)c2)c1 40082736 OOROLRNZSRDXLO-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB CN(C)C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 40009833 CFYOKNYDBODTGI-ROUUACIJSA-N 324.424 2.657 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1 30649566 PQOOACKZTZTQPS-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)O)n12 902963 KPESLZZGMBSXKO-UHFFFAOYSA-N 301.371 2.984 0 40 DFAB C1CC[C@H](OCC2(CO[C@H]3CCCCO3)CCCO2)OC1 1632785 HIIBCJHWWGZXJU-GJZGRUSLSA-N 300.395 2.622 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1 3850508 WBWBGJNXDJFMGJ-UHFFFAOYSA-N 301.371 2.981 0 40 DFAB CSc1nc(N)c(S(=O)(=O)c2ccc(C)cc2)s1 4290455 UIQFJTVXRNTXAR-UHFFFAOYSA-N 300.430 2.588 0 40 DFAB COc1cccc2cc(C(=O)NCc3cccs3)c(=O)oc12 205167 JUKFPDGSSGRMTL-UHFFFAOYSA-N 315.350 2.793 0 40 DFAB Cc1occc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 7849367 ZVNLEIRKXYILDG-UHFFFAOYSA-N 300.266 2.757 0 40 DFAB O=C(/N=c1\snc2n1-c1ccccc1C2)NCc1ccccc1 100369842 CUNKNPYDUCBPFD-ZPHPHTNESA-N 322.393 2.649 0 40 DFAB O=C(O)C[C@H]1COc2ccccc2N1C(=O)c1ccsc1 2505792 VBYMZDVCICJBPZ-NSHDSACASA-N 303.339 2.631 0 40 DFAB O=C(CSc1nc2sccc2c(=O)[nH]1)NC1CCCCC1 8456550 MVBJLOSYBZPAKJ-UHFFFAOYSA-N 323.443 2.526 0 40 DFAB COc1cccc(CNC(=S)NCCc2ccccc2)c1 534536 KCKUZWDRILXEAS-UHFFFAOYSA-N 300.427 2.902 0 40 DFAB O=C(Cn1ccccc1=O)NCC1(c2ccccc2)CCCCC1 46454193 NXOXEZWTDZIXFS-UHFFFAOYSA-N 324.424 2.867 0 40 DFAB Cc1nc(C(=O)NC(C2CC2)C2CC2)nn1-c1ccc(F)cc1 22385503 GMPIGACVHYGWNA-UHFFFAOYSA-N 314.364 2.633 0 40 DFAB CC(=O)N[C@@H](C(=O)NCC1(c2ccccc2)CC1)C1CCCC1 42007911 DZAYYVHJVMHFMJ-QGZVFWFLSA-N 314.429 2.529 0 40 DFAB CCC[C@@](C)(CO)NC(=O)Nc1nc(-c2cccnc2)cs1 80766633 CRXBBRCVOCJLNV-HNNXBMFYSA-N 320.418 2.878 0 40 DFAB O=C(NCc1cn2ccccc2n1)C1(c2ccc(F)cc2)CC1 23022196 QNENAUYEIXNEDT-UHFFFAOYSA-N 309.344 2.821 0 40 DFAB Cc1ccoc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12483425 USEMCMMJASFVQV-OAHLLOKOSA-N 317.316 2.904 0 40 DFAB Cc1noc([C@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)n1 54676123 MFFNOEHOJAVIFW-VIFPVBQESA-N 313.283 2.571 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1C 7609954 KWUGZGARMCIIJV-BBRMVZONSA-N 304.415 2.696 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ncccc3O)cc2)n1 12545870 WRHXQLGWARFUOA-UHFFFAOYSA-N 308.341 2.842 0 40 DFAB O=C1CC[C@@]2(C(=O)Nc3cccnc3)Sc3ccccc3N12 12564843 HAZVTOIZDOMJFZ-INIZCTEOSA-N 311.366 2.649 0 40 DFAB Cn1cc(-c2nc(C(=O)O[C@@H]3C[C@H]4CC[C@H]3C4)cs2)cn1 106825220 ZPODFBQMVGWISW-OUJBWJOFSA-N 303.387 2.889 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1F)N(C[C@H]1CCOC1)C1CC1 107312542 ATUAXPJGOCAVPW-UHOFOFEASA-N 303.377 2.957 0 40 DFAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)C1[C@@H]2CCC[C@@H]12 107514977 ZVMDFRCUJJXRNT-IJLUTSLNSA-N 306.356 2.706 0 40 DFAB CN(Cc1ccccn1)C(=O)c1cnc(-c2ccccc2)nc1 58328835 WRGJLGIMLALARH-UHFFFAOYSA-N 304.353 2.811 0 40 DFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC(C)C)C2CC2)c1 28043850 YTPHPRDAPOKOBL-UHFFFAOYSA-N 324.446 2.763 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)Nc1ccc(-n2cnnn2)cc1 48310945 HTHPYFYFBDGYTH-GFCCVEGCSA-N 302.382 2.609 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCN1C(=O)c1ccco1 12854518 YOIWBYPIOVPNTK-ZDUSSCGKSA-N 320.295 2.801 0 40 DFAB CC(C)(C)CC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 12933550 PYKLGXUDGNOOFW-UHFFFAOYSA-N 302.374 2.710 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)Nc1nc(C2CC2)cs1 48571913 HOFHLMSZDVSHQT-ZCFIWIBFSA-N 312.445 2.991 0 40 DFAB CN(CC(=O)NC(=O)Nc1ccccc1F)Cc1ccsc1 7927133 UPEPQLOHYPPGEE-UHFFFAOYSA-N 321.377 2.667 0 40 DFAB COc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(N)=O 13426937 GHGQVUNLORVIJX-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 65608944 JGTLQOLDDRHSNA-HZPDHXFCSA-N 324.852 2.528 0 40 DFAB CC(C)(C(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 65608215 HUUFWFXINGTPOM-UHFFFAOYSA-N 301.342 2.645 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)Sc1nncn1C(C)C 5417192 KYIKWTBOBYWNMP-NSHDSACASA-N 320.418 2.987 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)Nc2cc(C)nn2C)c1 69567731 XBIUPKHCEXZQEG-UHFFFAOYSA-N 315.421 2.502 0 40 DFAB Cc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1 4966018 SGURHJMKNBUEHI-UHFFFAOYSA-N 316.449 2.759 0 40 DFAB CC[C@H](C)n1ncc2c(C(=O)Nc3cc(C)n[nH]3)cc(C)nc21 69699519 DVCJKFSMHVRIRU-NSHDSACASA-N 312.377 2.995 0 40 DFAB CCc1nc(CCNC(=O)NCc2csc(C)n2)cs1 69657862 JPERFEDOAYTAMF-UHFFFAOYSA-N 310.448 2.512 0 40 DFAB O=C(NCc1cc(F)cc2c1OCOC2)N1CCCCCC1 69665957 HZLMNTSNXDIUOU-UHFFFAOYSA-N 308.353 2.778 0 40 DFAB Cc1cnccc1NC(=O)c1cnn(C)c1-n1c(C)ccc1C 69977424 WMDCMVFNQTVBLU-UHFFFAOYSA-N 309.373 2.783 0 40 DFAB COCCN1CCN([C@H](C)c2nc3ccccc3s2)CC1 69739880 VGQZKUKIEGWOJO-CYBMUJFWSA-N 305.447 2.621 0 40 DFAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCO3)c2cc1Cl 7033918 CFRBABIVCVKXHE-ZDUSSCGKSA-N 322.744 2.977 0 40 DFAB c1ccc(-n2ccc(CN3CCC[C@@H]3Cn3cccn3)n2)cc1 69769155 UDSIZZPHKVSARF-GOSISDBHSA-N 307.401 2.733 0 40 DFAB O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cc[nH]n2)C1 92073492 HREORVDEVBDSCF-KBPBESRZSA-N 311.307 2.736 0 40 DFAB Cn1cccc1C(=O)CSc1nncn1-c1ccccc1F 8706937 SEMIUZKWEUZIEN-UHFFFAOYSA-N 316.361 2.720 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cncn1-c1ccccc1 8708024 JYSDAOVNMRUONR-UHFFFAOYSA-N 321.336 2.531 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCOc2ccccc2F)c1C 8984833 OKWNWAWGHWPYSL-UHFFFAOYSA-N 318.348 2.782 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2C)c(=O)[nH]1 8940924 SXPGZKYHCYTUCR-UHFFFAOYSA-N 319.792 2.920 0 40 DFAB NC(=O)c1cnc(NC(=O)Cc2cccc3ccccc23)s1 8982742 SLWMYINMDOMVJU-UHFFFAOYSA-N 311.366 2.576 0 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2.870 0 40 DFAB C1=C(CNC[C@H]2CCCN2c2cccnn2)COc2ccccc21 75132743 VOFBUMUGESSEDR-QGZVFWFLSA-N 322.412 2.511 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)n(C)n2)o1 97161753 NFGVNKFDPANSQD-CYBMUJFWSA-N 318.377 2.837 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc2ncccc2c1 89948988 LVIAMYGXFINIEW-QFBILLFUSA-N 311.429 2.971 0 40 DFAB COc1ccc([C@H](NC(=O)CN2CCCCC2=O)C(C)C)cc1 97219528 BKGBGZTWSNQJMU-GOSISDBHSA-N 318.417 2.521 0 40 DFAB Cn1ccnc1C[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 97376974 QKVHWKKLSWRAMQ-HNNXBMFYSA-N 311.429 2.810 0 40 DFAB CCc1ncncc1C(=O)N1CCN(CC2CC2)c2ccccc21 72512507 KQWJVWOSNRDUPT-UHFFFAOYSA-N 322.412 2.916 0 40 DFAB O=C([C@H]1CSCN1C(=O)CCC1CCCCC1)N1CCCC1 84543940 MITQBLSLRYCDHA-OAHLLOKOSA-N 324.490 2.871 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2ccc(COC)c(F)c2)C[C@H](C)O1 95395170 LSYGSKCAGBVSTH-SWLSCSKDSA-N 324.396 2.681 0 40 DFAB Cc1ccnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 95412257 GUKNGPINEQQHEZ-ZIAGYGMSSA-N 320.437 2.915 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)COC2CCCCC2)cc1F 95448195 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DFAB C[C@@H]1CN(CC(=O)O)c2ccccc2N(Cc2ccccc2)C1=O 374403804 VTJXXNUFEXUMQD-CQSZACIVSA-N 324.380 2.761 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(F)cc1F 90745236 LEMHZMWVBHURLD-SFHVURJKSA-N 317.335 2.615 0 40 DFAB Cc1ncsc1-c1ccc(CNc2ccn(CCO)n2)cc1 657400247 HKTRRFCWBKFTJC-UHFFFAOYSA-N 314.414 2.919 0 40 DFAB Cn1ccc2c(C(=O)N3CCC(CC(=O)O)CC3)cccc21 580506079 SYMXKENEQOADBI-UHFFFAOYSA-N 300.358 2.505 0 40 DFAB COc1cc(CNC(=O)Nc2nnc(C(C)C)s2)ccc1O 44935711 MWSXHBLNLRIOAO-UHFFFAOYSA-N 322.390 2.697 0 40 DFAB O=C(NCC(F)(F)F)c1ccn(-c2cccc(Cl)c2)n1 48721329 KYRMGIGMCOBRPM-UHFFFAOYSA-N 303.671 2.818 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc2cnccc12 51452502 WMIJALAGBRTOAY-LLVKDONJSA-N 309.325 2.585 0 40 DFAB Cc1cc(C(=O)N2CCn3c(nnc3C(C)C)C2)c(C)s1 69770201 GIFKGVOSFUXRSO-UHFFFAOYSA-N 304.419 2.736 0 40 DFAB Cc1ccccc1[C@H](NC(=O)NCc1ncnn1C)C(C)(C)C 80158432 IGPAVNFAANVFKB-HNNXBMFYSA-N 315.421 2.710 0 40 DFAB C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccncc1F 97135658 COPNSWFHDTUSQF-JOYOIKCWSA-N 309.366 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CCc1n[nH]c(SCC(=O)Nc2nc3ccccc3s2)n1 2746348 KEJLZFYJTQFODE-UHFFFAOYSA-N 319.415 2.708 0 40 DFAB O=C(NCCc1cccc2ccccc12)c1cnn2cccnc12 41421337 VIZPBKQXTREOJY-UHFFFAOYSA-N 316.364 2.855 0 40 DFAB COc1ccnc(N[C@H](c2ccccc2F)c2nccn2C)n1 53599786 WKXGKACVEIHWRR-CQSZACIVSA-N 313.336 2.559 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@@H]3C)cc1 26896973 GYEXJJHYJSNDAA-NWDGAFQWSA-N 303.383 2.969 0 40 DFAB Cc1ccc(-c2nc(C)sc2C/C(O)=N/S(C)(=O)=O)cc1 42279036 DUPCNUUZJVGYIU-UHFFFAOYSA-N 324.427 2.886 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)Nc3ncccc3O)n2)cc1 23055357 JQPGMAYJRGZNKH-UHFFFAOYSA-N 324.340 2.717 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 12507782 HZQXBWNGMWUMBA-JXMROGBWSA-N 307.309 2.913 0 40 DFAB C[C@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccco1 24428052 ASGFZAPCOMUXHW-VIFPVBQESA-N 305.284 2.785 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccn1 43167336 GRWXYOIRCASZIP-CYBMUJFWSA-N 300.362 2.633 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)c(C)c1 55667809 OHFZBICZUQOERO-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB Cc1noc(C)c1CCC(=O)NC[C@H](c1ccsc1)N(C)C 25331742 NAMYVUDZPCDKAQ-OAHLLOKOSA-N 321.446 2.705 0 40 DFAB CC[C@H](CC1CC1)NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 108118999 FFVUJRBGQQVOEY-YCPHGPKFSA-N 312.479 2.919 0 40 DFAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CCC[C@@H](C)C2)C1=O 12617197 GWHMCQHOYUIFFU-RDTXWAMCSA-N 315.417 2.533 0 40 DFAB CCN(C)c1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1 58289297 QAYSPRIDBCEVQE-GFCCVEGCSA-N 300.406 2.676 0 40 DFAB Cn1cc(CCC(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58343128 GAUSTRZZONKNMA-UHFFFAOYSA-N 322.340 2.879 0 40 DFAB Cc1ccc(CNC(=O)N[C@H](C)[C@H](O)c2ccc(O)cc2)cc1 12740819 AZUPQXZIIJERDY-DYVFJYSZSA-N 314.385 2.622 0 40 DFAB Cc1cc(COC(=O)c2ccc(-n3nc(C)cc3C)nc2)on1 48261707 LBFJJTSHHVRBPA-UHFFFAOYSA-N 312.329 2.538 0 40 DFAB CC(=O)Nc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1C 48369942 VFMAFTMKHBFZPG-RYUDHWBXSA-N 305.378 2.595 0 40 DFAB Cc1nc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc2o1 12879535 QVOLWVDUVMLJBZ-VXGBXAGGSA-N 300.314 2.742 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCc2ccccc2)C1 38880072 BESMPWHULNZSGH-AWEZNQCLSA-N 305.374 2.987 0 40 DFAB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1nc(C(C)(C)C)no1 69654470 NRCKNWSUPGGKMH-MRVPVSSYSA-N 302.334 2.975 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@@H](O)c1c(F)cccc1F 69626114 CETQFCCVETXBBM-CYBMUJFWSA-N 318.279 2.515 0 40 DFAB O=C(NCCc1nc(-c2ccccn2)cs1)c1ccccn1 69744029 OHZNBYHHKQPAEQ-UHFFFAOYSA-N 310.382 2.573 0 40 DFAB O=C(CCCc1nc2ccccc2s1)NC[C@@H]1CCCO1 22620631 HLWXLAIZYZZYTH-LBPRGKRZSA-N 304.415 2.914 0 40 DFAB O=C(COCC1CC1)N1CCO[C@H](c2ccccc2Cl)C1 69873919 ABDRCSQYXZBDRM-HNNXBMFYSA-N 309.793 2.667 0 40 DFAB O=C(CCNCC1=Cc2ccccc2OC1)NC1CCCCC1 69924621 YUDAEUIPIAEQDN-UHFFFAOYSA-N 314.429 2.891 0 40 DFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(F)c2)c1 6707060 YANYYUVNQWABPZ-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB CCOc1ccc(S(=O)(=O)n2cccn2)cc1C(C)(C)C 8714880 AKVFLRKBRRVYDN-UHFFFAOYSA-N 308.403 2.816 0 40 DFAB O=C1[C@@H]2CCCN2C(=O)N1CCCSCc1ccccc1 90187760 WFTLPBQBRYNVHD-AWEZNQCLSA-N 304.415 2.737 0 40 DFAB CCc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 7249012 CIBODIJESBFUIQ-UHFFFAOYSA-N 307.353 2.598 0 40 DFAB Cc1ccc(Cl)cc1N1CC[C@H](CNCc2ncc[nH]2)C1 67696656 ZCFCZZNSKFHXNU-CYBMUJFWSA-N 304.825 2.988 0 40 DFAB O=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 7508592 JCAZGZPLCYBCHQ-UHFFFAOYSA-N 323.304 2.936 0 40 DFAB O=C(OCCn1c(=O)oc2ccccc21)[C@H]1C[C@@H]1c1ccccc1 68153159 NZFNAKAKAVNLHA-CABCVRRESA-N 323.348 2.941 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)c2ccc3nccn3c2)c1C 68312781 HFOBAPBGABGTSV-UHFFFAOYSA-N 324.384 2.627 0 40 DFAB CCCC(=O)N[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1 80976882 UUKJXHZBZLOHAR-ZDUSSCGKSA-N 316.380 2.654 0 40 DFAB CCCOc1ccc(-c2n[nH]c(SCCC(=O)O)n2)cc1 26807011 KGJFENWGLLRNCB-UHFFFAOYSA-N 307.375 2.827 0 40 DFAB CC(=O)c1ccc(NC(=O)c2c[nH]c(C)cc2=O)cc1Cl 96011074 NYIHWYQSRGONDV-UHFFFAOYSA-N 304.733 2.792 0 40 DFAB CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 9579283 OPLNNCGXAMZYGB-UHFFFAOYSA-N 312.435 2.764 0 40 DFAB Cc1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n1 9315719 DYJHASOUFGZPMT-UHFFFAOYSA-N 322.368 2.588 0 40 DFAB C[C@H](NC(=O)COCC(=O)Nc1ccccc1)c1ccccc1 9355370 XNQQZKFWXPGTCL-AWEZNQCLSA-N 312.369 2.519 0 40 DFAB CC(C)N(C)C(=O)N[C@H](C)c1ccccc1N1CCOCC1 86423967 TWLQHCRYGWHSIZ-CQSZACIVSA-N 305.422 2.634 0 40 DFAB CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1nnc2n1CCCC2 71799650 NDOSZRQSHIPUAK-KBPBESRZSA-N 319.453 2.628 0 40 DFAB CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@H]2CCOC2)ccn1 71896609 OLGALZOXYOWCDX-HIFRSBDPSA-N 306.406 2.548 0 40 DFAB O=C(CSCc1cccc2c1OCCO2)NCc1ccco1 89774314 IWHSYKAFQLTUMI-UHFFFAOYSA-N 319.382 2.600 0 40 DFAB CC(C)C[C@H](CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1 89802483 DSCIBROGSHABFF-MRXNPFEDSA-N 304.434 2.854 0 40 DFAB CC(C)n1cc(NC(=O)N2CCN(c3cccs3)CC2)cn1 89894040 CBVRMMBUNKDJHJ-UHFFFAOYSA-N 319.434 2.880 0 40 DFAB Cc1nc(-c2ccc(S(=O)(=O)N(C)CC(F)F)cc2)co1 71910237 SCQZZTCZBKWMKP-UHFFFAOYSA-N 316.329 2.536 0 40 DFAB CCO[C@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)C1(C)C 89985624 CUBXDAAMLDPSMK-SJORKVTESA-N 314.433 2.620 0 40 DFAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCCCc2ccccc21 84008602 ARDFQUKEWCDULM-UHFFFAOYSA-N 311.385 2.589 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 9871598 WHYIMYDJOADFLN-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB CCOc1cc(CNC(=O)NCc2nc(C)c(C)s2)ccn1 76084052 DUUSDTTVSFSJKL-UHFFFAOYSA-N 320.418 2.553 0 40 DFAB CN(C(=O)Nc1ccncc1)[C@H]1CCCN(c2ccccc2)C1=O 72286288 YKTUYXWYLGLFAN-INIZCTEOSA-N 324.384 2.741 0 40 DFAB COC[C@H](O)CNC(=O)Nc1cccc(-c2sccc2C)c1 72287640 KGSBGEUTORFCGY-CQSZACIVSA-N 320.414 2.852 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 72295714 CHUFRNSMGRGYKL-CVEARBPZSA-N 305.418 2.685 0 40 DFAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccn1 97033051 LPGVPPFNHPZYEA-UKRRQHHQSA-N 302.761 2.995 0 40 DFAB Cc1ncccc1CN1CCC([C@](C)(O)C(F)(F)F)CC1 97162314 KFOVOZMFCHGENQ-AWEZNQCLSA-N 302.340 2.915 0 40 DFAB CC(C)c1nsc(N2CCN(Cc3ccccc3)CC2)n1 72307749 PYPCVDKLUSFQEQ-UHFFFAOYSA-N 302.447 2.984 0 40 DFAB OCCN(Cc1nnc(-c2ccccc2F)o1)c1ccccc1 84549155 MCCXCPVWNZVGGN-UHFFFAOYSA-N 313.332 2.875 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCSC[C@H]1c1ccccc1 95397616 JASLKRGQBIMLGA-HNNXBMFYSA-N 313.426 2.829 0 40 DFAB Cc1nnc(CN(C(=O)c2sc(C)nc2C)C(C)(C)C)o1 95449741 QCVIRUCOFIHZNV-UHFFFAOYSA-N 308.407 2.892 0 40 DFAB Cc1[nH]ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 95446665 NXUZJWDNJSJYQY-ZDUSSCGKSA-N 316.748 2.879 0 40 DFAB COCc1c(C(=O)N(C)[C@@H](C)C(=O)O)sc2ccccc12 95424686 BPHTXCIOBOZOQY-VIFPVBQESA-N 307.371 2.593 0 40 DFAB Cc1cc(NC(=O)Nc2cccc(NC(=O)NC3CC3)c2)no1 78336352 UMVBJRVMHCVWOV-UHFFFAOYSA-N 315.333 2.911 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CN(C)C(C)C)cc1 98014080 JJLPXUDJAHWSGJ-MJGOQNOKSA-N 318.461 2.919 0 40 DFAB CC1CCN(CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 9950987 UBPFFTIVDRRGCW-KSSFIOAISA-N 321.465 2.813 0 40 DFAB CCc1cc(=O)[nH]c(-c2ccc(NCc3ccoc3C)nc2)n1 68693110 BAHFQFIDBZDJFM-UHFFFAOYSA-N 310.357 2.908 0 40 DFAB CC(C)OCCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 128223526 JLXWVQAVJOJXBX-JKSUJKDBSA-N 306.406 2.631 0 40 DFAB Cc1cc2cc(CNC(=O)[C@@H]3CCn4cncc4C3)ccc2[nH]1 553408462 GVKXYJBITJXDOH-CQSZACIVSA-N 308.385 2.552 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NCC(=O)O 79410718 VSGWVWGHEYZAEB-QWHCGFSZSA-N 314.426 2.617 0 40 DFAB O=C(O)CCCOc1ccc(I)cc1 36904078 KNJVONAIYWOGAG-UHFFFAOYSA-N 306.099 2.535 0 40 DFAB CCC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccsc1 187805031 ZWNKJCKWQLPDTP-KGLIPLIRSA-N 316.492 2.603 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72384872 YSVDLOGRCONHMA-LLVKDONJSA-N 321.812 2.689 0 40 DFAB CN(C(=O)C1CC=CC1)C1CCN(C(=O)OC(C)(C)C)CC1 76958261 APWKIOTVNKPUCG-UHFFFAOYSA-N 308.422 2.811 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](CO)[C@@H]2c2ccccc2)cc1 218050985 MDTGOOGNARBNMV-IKGGRYGDSA-N 302.395 2.543 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@](O)(c2ccccc2)C2CC2)c1 70966270 DYNYFJZWXAAJTP-FQEVSTJZSA-N 324.424 2.780 0 40 DFAB CC[C@H](O)CSc1nnc(-c2cccc(OC)c2)n1CC 225665100 DQFBKPXYWKAJFC-LBPRGKRZSA-N 307.419 2.837 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)N1CCc2ccccc21 46878313 PGCZGAXSBQNMHL-UHFFFAOYSA-N 320.352 2.654 0 40 DFAB COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCC(C)C)cc1 49466746 ZQBPRWDCLKIWKB-ZBFHGGJFSA-N 305.374 2.716 0 40 DFAB Cc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)on1 192403110 SHYPAYBTRVLIIG-UHFFFAOYSA-N 320.776 2.760 0 40 DFAB CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ncccc1F 195575541 PLKMLZHRBQMOEM-UHFFFAOYSA-N 301.365 2.949 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)c3cccs3)C2)nn1 225461073 FLBVJEKAVJGFMO-LBPRGKRZSA-N 303.387 2.530 0 40 DFAB Cc1cccc(C)c1[C@H](C)NC(=O)N(CCO)CC(F)F 225417093 IFQFIDHYELOBQT-LBPRGKRZSA-N 300.349 2.633 0 40 DFAB COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 96112673 NUBNPPSVSBKIKW-HNNXBMFYSA-N 323.396 2.906 0 40 DFAB biogenic,in-vitro CC(C)c1cnc(COc2ccc(O[C@@H](C)C(N)=O)cc2)o1 96429006 PLKSTQRYYMYZKR-NSHDSACASA-N 304.346 2.630 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2cc(N3CCCC3)ncn2)cc1 77198092 XRTLKDBMPQVSFO-RMKNXTFCSA-N 324.384 2.737 0 40 DFAB CCOC(=O)c1nc2cc(Cl)ccn2c1Br 95215804 GPDOZOPNXBHFRD-UHFFFAOYSA-N 303.543 2.927 0 40 DFAB OC[C@H](Cc1c[nH]c2ccccc12)Nc1cncc(Cl)n1 96429847 PRJMDVBFYAJZSN-NSHDSACASA-N 302.765 2.627 0 40 DFAB CN1CC[C@H](Sc2nnc(CCCc3ccccc3)o2)C1=O 96430327 XSNNRDHJCGRBOO-ZDUSSCGKSA-N 317.414 2.568 0 40 DFAB O=C(Cc1cccs1)N1CCO[C@H](c2cccc(O)c2)C1 96479407 STMZFOSYSANWJM-HNNXBMFYSA-N 303.383 2.596 0 40 DFAB CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(C)c(Cl)c1 96440903 UOEWWHYXXILXQC-UHFFFAOYSA-N 324.837 2.895 0 40 DFAB CCn1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)cn1 257330814 XQEOKAQPXCELNJ-GFCCVEGCSA-N 304.419 2.688 0 40 DFAB CC(C)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257213904 CJPOEUCQBVIDAF-CYBMUJFWSA-N 318.421 2.800 0 40 DFAB C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@H]2OCC(F)(F)F)O1 253370968 YWJKGAUZZKEJLW-FDYHWXHSSA-N 323.355 2.808 0 40 DFAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3cncs3)C2)n1 257278524 OCOUNIGTAPNOBM-ZDUSSCGKSA-N 301.415 2.941 0 40 DFAB O=C(c1ccsc1)N1CCC(c2ccn3nccc3n2)CC1 257322037 WEIOIEHZNXBEGK-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB CN1CCN(S(=O)(=O)/C=C/c2ccccc2)C2(CCCC2)C1 85558112 LKDXBPNNPVCCAW-NTEUORMPSA-N 320.458 2.547 0 40 DFAB COc1cccc2cc(C(=O)N3CCC[C@]4(CCN4C)C3)oc12 585101859 JHZTWPGWVWLXCQ-SFHVURJKSA-N 314.385 2.752 0 40 DFAB COc1ccc2oc(C)c(C(=O)O[C@H]3C[C@H](C)OC3=O)c2c1 61740812 PWEUGAYGGZZDPT-SDBXPKJASA-N 304.298 2.611 0 40 DFAB CCS(=O)(=O)c1ccccc1NC[C@H](N)c1ccccc1 62838571 LAOZWCFUMWARLS-AWEZNQCLSA-N 304.415 2.592 0 40 DFAB CCN(C)c1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 69898635 DNYCJFYLQIYASY-SFHVURJKSA-N 315.461 2.843 0 40 DFAB CSC1=NCCN1C(=O)CCc1nc2ccccc2s1 72297904 ARDBPPGWGLDDBP-UHFFFAOYSA-N 305.428 2.790 0 40 DFAB Cc1ccc(O[C@@H](C)CNC(=O)N(C)Cc2ccncc2)cc1 74783713 VHXHYLZSUFVKOQ-HNNXBMFYSA-N 313.401 2.999 0 40 DFAB Cc1ccccc1[C@H]1CN(C(=O)Nc2cnn(C)c2)[C@H](C)CO1 97109212 QFHVJUVEEKCXHH-CZUORRHYSA-N 314.389 2.722 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@H]1CCc2c(O)cccc21 76689910 WVPBMSUQNYCWQR-HNNXBMFYSA-N 300.358 2.733 0 40 DFAB Oc1c(Br)cc(-c2nnco2)cc1Br 165559 RICXGHBRPDGRQD-UHFFFAOYSA-N 319.940 2.967 0 40 DFAB COc1cc(NC(=O)c2ccco2)ccc1N1CCCC1=O 5440357 GADKAXNDXZHLLH-UHFFFAOYSA-N 300.314 2.667 0 40 DFAB O=C(O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1 13434653 YAIRFGKVTCTFLK-CQSZACIVSA-N 317.728 2.832 0 40 DFAB COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2OC)c1 18076253 OATNNBVAFKLNPQ-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19118123 CWAHLYXEOFTIIC-AWEZNQCLSA-N 315.348 2.536 0 40 DFAB CNc1cc(CNC(=O)[C@H]2CC=CCC2)nc(-c2ccncc2)n1 19592317 QISBIRUTKQCIEK-AWEZNQCLSA-N 323.400 2.553 0 40 DFAB Sc1ncnc2c1cnn2-c1ccc(Br)cc1 19723914 UGVTVGMJFRFECT-UHFFFAOYSA-N 307.176 2.867 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C[C@@H](C)O1 226301559 OHDUQQHKKHPVHK-TXEJJXNPSA-N 300.358 2.778 0 40 DFAB COc1cc(NC(=O)C2CCCC2)ccc1N1CCCC1=O 5440247 GUDWACQSYAQDRW-UHFFFAOYSA-N 302.374 2.951 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 1889089362 GQTNFHBRMLSLKH-LLVKDONJSA-N 324.306 2.857 0 40 DFAB O=S(=O)(C[C@@H]1CC1(Cl)Cl)C[C@H]1CC1(Cl)Cl 15162202 HCHRVSLOUYCOSJ-OLQVQODUSA-N 312.045 2.789 0 40 DFAB O=C1CCCN1CCCN=c1[nH]c2c(Cl)cccc2s1 1849670022 GIACMOAAASSRJW-UHFFFAOYSA-N 309.822 2.796 0 40 DFAB CC1CCC(C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)CC1 1565543437 CWAXXUGAFXYMAI-ZNNPOINPSA-N 318.461 2.720 0 40 DFAB S=C(NCc1ccco1)Nc1ccc2c(c1)OCCCO2 7531265 HLTFKODVKJSFDC-UHFFFAOYSA-N 304.371 2.928 0 40 DFAB CC(C)CN1CCC(NC(=O)NCc2cccc(F)c2)CC1 45462562 UIDFQCVZMKIORL-UHFFFAOYSA-N 307.413 2.745 0 40 DFAB C[C@H](CNC(=O)NC1CCC(O)CC1)c1ccc(F)c(F)c1 80655561 NBGZMIAGWVHQME-QFWMXSHPSA-N 312.360 2.671 0 40 DFAB O=C(CCSc1nnc(-c2ccc(O)cc2)o1)N1CCCC1 2433432 UHFUQXVRUSZFHC-UHFFFAOYSA-N 319.386 2.547 0 40 DFAB COc1ccc(Cc2cc3c(cc2OC(C)=O)OCO3)cc1 1581529 QDGLPBCPEUSNNP-UHFFFAOYSA-N 300.310 2.940 0 40 DFAB CC(C)c1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12 32096871 KQSUCBHDNAHVFN-UHFFFAOYSA-N 322.416 2.574 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1cccc2nsnc12 4488700 LENLLXWZOZMYBC-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB Cc1nc(-c2ccc(CC(=O)N3CCOC[C@@H]3C)cc2)cs1 46253874 FQEVFGGDERZRCC-LBPRGKRZSA-N 316.426 2.908 0 40 DFAB CCO[C@@H]1C[C@@H](N2CCN([C@H](C)C(F)(F)F)CC2)C12CCC2 108178624 TYPYTLPRRAWMTL-MGPQQGTHSA-N 320.399 2.903 0 40 DFAB O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCCCC1 59766205 QENPJAGMOXBTIA-UHFFFAOYSA-N 301.173 2.944 0 40 DFAB COC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1N 75110280 LSHLANTWBVNLPP-INIZCTEOSA-N 304.777 2.774 0 40 DFAB O=C(NCCCCc1ccccc1)C(=O)NC1CCCCC1 9233541 LPHNXKNXTFOQOG-UHFFFAOYSA-N 302.418 2.574 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2OCC(N)=O)c(Cl)c1 21742084 YYOLYDUAVDPUGB-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NC1CCCCCC1 22543872 KBPGCRVWSXDODE-GFCCVEGCSA-N 324.450 2.587 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OCC(C)C)c1 42472353 KNYURKPEQPDUBG-STQMWFEESA-N 309.406 2.942 0 40 DFAB CN1C(=O)C2(CCN(Cc3cccn3C)CC2)c2ccccc21 104998205 MBJLVRYAWLBENY-UHFFFAOYSA-N 309.413 2.535 0 40 DFAB CC(C)(C)n1cc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 102316971 WGFWOZJLCNAZQF-UHFFFAOYSA-N 317.437 2.506 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)NCCCn2ccnc2)cc1 54852321 FSWKGLBGRFKZGD-ZDUSSCGKSA-N 319.430 2.579 0 40 DFAB C/C=C/c1ccc(OCC(=O)/N=c2/sccn2C)c(OC)c1 104999840 YXHIEEAGFPTXMK-JFNJUMMDSA-N 318.398 2.635 0 40 DFAB Cc1nc(CCNC(=O)[C@H](C)Oc2ccccc2F)cs1 24754782 BBROJFCSFXEIDV-JTQLQIEISA-N 308.378 2.717 0 40 DFAB Cc1occc1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 55624007 SGCOTKXVXQGRBE-UHFFFAOYSA-N 322.364 2.728 0 40 DFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1CC1 43728373 FOCQLAVEWDMGGH-UHFFFAOYSA-N 302.296 2.727 0 40 DFAB COC(=O)c1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)n1 56405453 FSXWAULZCVWSJW-INIZCTEOSA-N 310.353 2.628 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 43926422 AMTBOYCPONTMDS-NWDGAFQWSA-N 310.419 2.790 0 40 DFAB COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cc(C)no1 26334629 PGLNNVYNSIPHAK-GFCCVEGCSA-N 303.362 2.623 0 40 DFAB CCCC(=O)N[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 80976694 XYQPZXBWIPIWOJ-GFCCVEGCSA-N 315.339 2.986 0 40 DFAB O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)NC1CCCC1 58135685 TYCYCKGNVCPGTD-KRWDZBQOSA-N 320.408 2.648 0 40 DFAB O=c1c2ccsc2ncn1Cc1ccn(-c2ccccc2)n1 58180203 GBQYDZUHCCCBMK-UHFFFAOYSA-N 308.366 2.692 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 48074747 MARSOLOISHGNCO-QGZVFWFLSA-N 324.424 2.941 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C)cc2)cc1 3388430 JSNBJRAKQNAZFJ-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(C)C)CC1 58268550 INSFKCCYAFMISC-AWEZNQCLSA-N 321.440 2.801 0 40 DFAB CNC(=O)Cc1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1 44914466 VEQMFONFBQYZBU-NSHDSACASA-N 302.378 2.655 0 40 DFAB CC(C)N(Cc1ccccn1)Cc1nnnn1Cc1ccccc1 44976184 RFGUUKLPNNKCAT-UHFFFAOYSA-N 322.416 2.527 0 40 DFAB CCOC(=O)c1c(CSc2n[nH]c(N)n2)oc2ccccc12 58324778 MXJSDRPDTZCGSV-UHFFFAOYSA-N 318.358 2.602 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccnc(-n2ccnc2)c1 58433674 MIPKKJUSVCDVBI-HZPDHXFCSA-N 322.343 2.692 0 40 DFAB CC1CCN(CCCNC(=O)c2ccc(N(C)C)c(F)c2)CC1 58431239 WDYTZHZEDCQPSU-UHFFFAOYSA-N 321.440 2.744 0 40 DFAB Cc1ccc(C)c(NC(=O)COC(=O)COc2ccccc2)c1 3388838 KTLIBMJRGAWADF-UHFFFAOYSA-N 313.353 2.864 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cc1cn2ccsc2n1 48236247 TWUFBTITDPQEPS-OCCSQVGLSA-N 321.446 2.650 0 40 DFAB COc1cccc(C(N)=O)c1OCCCOc1ccc(F)cc1 12813584 RCFGXEKHGUKNAC-UHFFFAOYSA-N 319.332 2.781 0 40 DFAB O=C(CSc1nnnn1C1CCCC1)Nc1cccc(F)c1 16371640 WOCAUUPZLISPCJ-UHFFFAOYSA-N 321.381 2.658 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1)C(C)C 13135271 GYNCFDMIARBTKO-LBPRGKRZSA-N 313.195 2.548 0 40 DFAB Cc1nccn1C[C@H](C)CNC(=O)c1cc(-c2ccccc2)[nH]n1 69389356 ASACPYOEBSRWSZ-CYBMUJFWSA-N 323.400 2.648 0 40 DFAB O=C(/N=c1\sccn1Cc1ccccc1F)c1ccncc1 17368821 IEDGIWHYJVIHDI-MNDPQUGUSA-N 313.357 2.873 0 40 DFAB Cc1ccccc1CNC(=O)Cn1nccc1-c1ccncc1 65547890 AUQANHMHWXSNMJ-UHFFFAOYSA-N 306.369 2.570 0 40 DFAB Cc1cc(C)cc(OCCCn2cnc3ncccc3c2=O)c1 65533753 BZKWEQAEWWCLSR-UHFFFAOYSA-N 309.369 2.877 0 40 DFAB NC(=O)c1ccccc1NC(=O)CSc1ccc(F)c(F)c1 5565095 SQVLCNZOCYWQRV-UHFFFAOYSA-N 322.336 2.795 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2cccc(C)c2n1 5582472 ASRCPPSTHPNISZ-LLVKDONJSA-N 317.414 2.788 0 40 DFAB CCCS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 6662558 AVQDEEYOYLMAFQ-UHFFFAOYSA-N 322.455 2.908 0 40 DFAB COC(=O)[C@H](O)[C@@H](Sc1ccccc1N)c1ccccc1 4960961 UYTWXFRKOWROEX-CABCVRRESA-N 303.383 2.636 0 40 DFAB Cc1ccc(-c2nnn(Cc3cn4cc(C)ccc4n3)n2)cc1 6978852 IFBYVDABILVSDN-UHFFFAOYSA-N 304.357 2.653 0 40 DFAB O=C(NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1F)C1CC1 69950071 AUYSUZHHFGLNDX-AWEZNQCLSA-N 310.344 2.818 0 40 DFAB COC[C@H](NCc1ccnn1C)c1cccc(C(F)(F)F)c1 80203477 DXZMYFZOVFOWLZ-AWEZNQCLSA-N 313.323 2.916 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 15627378 OLFBOUGKSHSVOB-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccco3)C2)C1 306124201 BJGXWBCQAOCKAN-GRZALLJUSA-N 320.408 2.698 0 40 DFAB Nc1c(Cl)cccc1C(=O)OCC(=O)Nc1ccccc1 9077000 YRWGTUDRGBQLNX-UHFFFAOYSA-N 304.733 2.718 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@H]3CC=CC[C@H]3C2)c1 96007435 GYCDHJWQCLUVJT-GASCZTMLSA-N 319.426 2.695 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2nnc(Cc3ccccc3)o2)cn1 71799200 CPTHYKOSKYKNKU-MRXNPFEDSA-N 323.400 2.731 0 40 DFAB CC[C@H]1CCCCN1CCNC(=O)NCc1scnc1C 71904756 CAKYGMWEVJPAMS-ZDUSSCGKSA-N 310.467 2.515 0 40 DFAB C[C@@H]1SCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]1C 71911149 DURHAQDFGAYOAC-QWRGUYRKSA-N 323.849 2.674 0 40 DFAB O=C(c1ccc2nncn2c1)N1CCSC2(CCCCC2)C1 89808161 KJZIUYWOFYCXEC-UHFFFAOYSA-N 316.430 2.621 0 40 DFAB Cc1n[nH]c([C@@H](NC(=O)CCC(=O)c2ccccc2)C(C)C)n1 72293003 QPCVBGJDXHINLO-INIZCTEOSA-N 314.389 2.590 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2occc2C)c(C)nn1C 72234336 XRSOXRZTIKOGOC-LBPRGKRZSA-N 303.362 2.616 0 40 DFAB CCc1noc(CN(CCN2CCCC2)Cc2ccccc2)n1 72275083 JGXXCLVJAIQCNK-UHFFFAOYSA-N 314.433 2.730 0 40 DFAB C[C@H]1C[C@H](C)CCN1C(=O)NCc1cccc(-n2cncn2)c1 72294053 KHPQBXVGDQXQTJ-KGLIPLIRSA-N 313.405 2.597 0 40 DFAB NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 97009867 HKPFBAXEWMZCPK-HNNXBMFYSA-N 318.760 2.869 0 40 DFAB Cc1cc(C(=O)NC[C@H](C)C(=O)O)c(C)n1Cc1ccccc1 97018665 YYVBCNBVNNJVAK-LBPRGKRZSA-N 314.385 2.604 0 40 DFAB Cc1nnc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)o1 97112477 WGEKAWPXWMJQNS-QMMMGPOBSA-N 319.752 2.932 0 40 DFAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)c1ccc2c(c1)ncn2C 95435370 HDBYWYGANLIWRN-LSDHHAIUSA-N 303.431 2.929 0 40 DFAB COc1cc(NC(=O)/C=C/c2ccncn2)c(OC)cc1Cl 95465595 QGLIKKLHERUYFH-ONEGZZNKSA-N 319.748 2.799 0 40 DFAB CCCc1nnc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)s1 84759087 YVXFVIJTVQGWMR-VHSXEESVSA-N 324.406 2.717 0 40 DFAB Cn1c(NC(=O)c2ccc(NC=O)cc2)nc2cc(F)ccc21 74184054 PLPONYQEFSTSIN-UHFFFAOYSA-N 312.304 2.533 0 40 DFAB CC[C@@H](C(=O)Nc1cc(C)cc2cccnc12)N1CCCC1=O 95991476 FZOVXDLMSWZAHT-HNNXBMFYSA-N 311.385 2.883 0 40 DFAB CCc1ncnc(N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1F 95981581 LWCBAUWMAHYNLA-RYUDHWBXSA-N 308.401 2.673 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C1CCOCC1 74451230 CTTJMWNPEVGVNG-UHFFFAOYSA-N 314.385 2.830 0 40 DFAB CCN([C@H](C)c1cccnc1)S(=O)(=O)c1c[nH]c(C(C)C)n1 78985448 GKPPIMLXOICXCF-GFCCVEGCSA-N 322.434 2.700 0 40 DFAB COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1N1CCCCC1=O 79047389 HUOAHITVWPXNBT-DGCLKSJQSA-N 302.374 2.807 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC(O[C@@H]2CCOC2)CC1 79000019 PYRJFSUJNOXYJA-QGZVFWFLSA-N 321.392 2.555 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1C1CCCC1 79287086 CLWUGXRFNYUZBW-DZGCQCFKSA-N 300.468 2.760 0 40 DFAB O=C(c1ccc(Cl)cc1F)N1CCCC[C@@H]1C1OCCO1 79336348 TXDVLDXBENJQGJ-CYBMUJFWSA-N 313.756 2.847 0 40 DFAB Cn1ccc2c(C(=O)NCCn3cnc4ccccc43)cccc21 79476174 TZOTVGLRTBFORX-UHFFFAOYSA-N 318.380 2.958 0 40 DFAB COCCn1cc(Nc2nc(-c3ccccc3)ns2)cn1 121906806 FOUGCYDIULCWJI-UHFFFAOYSA-N 301.375 2.792 0 40 DFAB Cc1cnccc1CCNC(=O)c1cnccc1C(F)(F)F 520425312 RDHSGAURCYPUMS-UHFFFAOYSA-N 309.291 2.776 0 40 DFAB C[C@H](C(=O)O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 72209275 KJDYOAREWGPEDN-LBPRGKRZSA-N 308.337 2.633 0 40 DFAB CC/C=C(/C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 71792351 IAQXMKCBTIKHAQ-AUWJEWJLSA-N 320.433 2.608 0 40 DFAB O=C(Cc1ccsc1)NCC1(N2CCSCC2)CCCC1 31960519 SRTNZBPFEZWJBI-UHFFFAOYSA-N 324.515 2.768 0 40 DFAB Cc1nc(CC(=O)NC[C@@H]2CCOc3ccccc32)c(C)s1 120034144 QNVZRRJAGJYBHD-ZDUSSCGKSA-N 316.426 2.985 0 40 DFAB C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccccc2)[C@H](C)CN1C 180414168 ZTOLSCYQHXNOCL-VKJFTORMSA-N 312.461 2.905 0 40 DFAB CCn1ccc2ccc(NC(=O)N(C)C[C@@H](O)C3CC3)cc21 79805904 GMXWJYXVVZHDOT-MRXNPFEDSA-N 301.390 2.896 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241870 DNARPIMQAQEFOG-ZBFHGGJFSA-N 306.381 2.652 0 40 DFAB CCC(C)(C)C(=O)N1CC[C@@H](CNc2ncncc2Cl)C1 1060967360 LFWIBUCFJJDDQJ-NSHDSACASA-N 310.829 2.827 0 40 DFAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 126408448 GJQKZMAEZZBFNL-QKPAOTATSA-N 324.465 2.549 0 40 DFAB CC(C)c1cccc(NC(=O)CN(C)C2CCS(=O)CC2)c1 79462973 GHMRDWJYQUHFMV-UHFFFAOYSA-N 322.474 2.591 0 40 DFAB Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)c(=O)[nH]1 76392096 JURNWMPKUMKJHO-KBPBESRZSA-N 302.761 2.623 0 40 DFAB CC(=O)N1CCC[C@H](c2cncc(-n3ccnc3C(C)C)n2)C1 72355400 LHRCYWWGYGVFHQ-AWEZNQCLSA-N 313.405 2.512 0 40 DFAB Cc1cccc(N(C)C(=O)COC(=O)c2cccnc2Cl)c1 72330778 YAFAGZJBOFYKPD-UHFFFAOYSA-N 318.760 2.863 0 40 DFAB CC(=O)N1CCC[C@@H](c2cncc(-n3ccnc3C(C)C)n2)C1 72355399 LHRCYWWGYGVFHQ-CQSZACIVSA-N 313.405 2.512 0 40 DFAB Cc1ncsc1C(=O)N1Cc2ccccc2N(C)C[C@@H]1C 81613686 MLQBCZUMPAFTQC-NSHDSACASA-N 301.415 2.932 0 40 DFAB C[C@@]1(CNC(=O)Nc2cnns2)CCCc2ccccc21 192367601 CNWUWMLEUBXNCN-HNNXBMFYSA-N 302.403 2.954 0 40 DFAB COc1ccc(CNC(=O)N(C)CC2(N(C)C)CCC2)cc1C 225467553 OLRWUCTZNLCUIH-UHFFFAOYSA-N 319.449 2.629 0 40 DFAB O=C(O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 80715960 IDRILCYXKCNVKU-GFCCVEGCSA-N 304.173 2.841 0 40 DFAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)c1ccoc1)C2 96040511 YJMOMIUUOFBQHV-DOTOQJQBSA-N 307.390 2.716 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)c1cccs1)CC2 96106282 GHTJLDFHZZTFMO-CYBMUJFWSA-N 309.431 2.653 0 40 DFAB CCC(CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnccc2C)C1 96416131 OKQRQYQRIKWFNW-CQSZACIVSA-N 303.406 2.613 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2cccc(-c3ccc4c(c3)CCO4)c2)C1 578083733 DEEIRDAMAYBESN-OAHLLOKOSA-N 323.348 2.726 0 40 DFAB CC[C@@H]1N(C(=O)c2ccoc2C)CCC[C@]12CCC(=O)N2C 96052424 LUGBYLWHRYFSGH-YOEHRIQHSA-N 304.390 2.594 0 40 DFAB c1cc(CN2CCC3(CC2)CO[C@H](COCC2CC2)C3)ccn1 96105967 CQPFJBPZWOMLIB-SFHVURJKSA-N 316.445 2.879 0 40 DFAB Cc1cccc(C(=O)N2CCN(CC3CC3)c3ncccc3C2)n1 96060981 XIQSZLBWRRJDIA-UHFFFAOYSA-N 322.412 2.657 0 40 DFAB COc1ccc(Cc2nc3nccc(-c4cccnc4)n3n2)cc1 95479894 VFEOYJRVINQOIC-UHFFFAOYSA-N 317.352 2.786 0 40 DFAB Fc1ccc(N2CC[C@H](NCc3csnn3)C2)cc1Cl 97234043 VUULBJFNGXALBD-VIFPVBQESA-N 312.801 2.699 0 40 DFAB c1ccc(N2CCC(Cc3nccnc3-c3ncc[nH]3)CC2)nc1 257302550 SDIOOFTYDJNAOO-UHFFFAOYSA-N 320.400 2.721 0 40 DFAB CN(C)c1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)nc1 257264333 LTYLLAUIBWKJIW-ROUUACIJSA-N 303.450 2.631 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257314222 UVWWRGBBFIKELS-GFCCVEGCSA-N 302.378 2.597 0 40 DFAB Cc1nc2ccc(C(=O)N3CC[C@@]4(C)C[C@H](O)CC[C@@H]34)cc2[nH]1 257236931 HEJHZORSQXPXNR-QBIMZIAESA-N 313.401 2.637 0 40 DFAB CC(C)c1ncc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1 257258647 KUXOYXFLLVDASP-HNNXBMFYSA-N 312.421 2.699 0 40 DFAB c1ccc2c3c([nH]c2c1)C12CCN(CC1)[C@H]([C@H]1CCOC1)N2CC3 257212417 CDHVULDMLOAIPM-LIRRHRJNSA-N 323.440 2.693 0 40 DFAB CCc1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1 69450079 ZBMBRNUCFLNMJG-UHFFFAOYSA-N 311.385 2.687 0 40 DFAB O=C(NCc1cccs1)N[C@@H]1CCN(c2ccccc2)C1 75134061 KCZMAJJNPBYLLX-CYBMUJFWSA-N 301.415 2.826 0 40 DFAB O=C(Nc1ccc(Br)c(F)c1)N1CCC[C@@H](O)C1 96435427 KBYBYBFKWUJUGJ-SECBINFHSA-N 317.158 2.577 0 40 DFAB CSc1nc(NC(=O)Nc2cc(Cl)nc(Cl)c2)n[nH]1 2557744 UVPCMDDFWSRJTJ-UHFFFAOYSA-N 319.177 2.872 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1 5822741 HTQIMKOUMHSVDT-UHFFFAOYSA-N 305.447 2.896 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ncoc1-c1cccs1 12115107 XOTGRNWFBKRNDW-UHFFFAOYSA-N 313.338 2.754 0 40 DFAB Cc1ccccc1OS(=O)(=O)c1ccc(C)c(C(=O)O)c1 13074069 YUTGBGOHSYWEKI-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 8924418 KOOIALZGYDXYMP-CQSZACIVSA-N 300.402 2.736 0 40 DFAB CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 20501363 JTPRKHBOAFMPRO-UHFFFAOYSA-N 301.217 2.700 0 40 DFAB CCn1cc(Br)c(C(=O)Nc2ccc(C)cn2)n1 27971304 SCKIDGNQQIGFML-UHFFFAOYSA-N 309.167 2.621 0 40 DFAB CCOc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1C 208029197 UQSVRAZAYVRWKA-KBPBESRZSA-N 307.415 2.875 0 40 DFAB Cc1cc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nc(C2CC2)n1 341507756 VWODUKUBIZLYMV-CQSZACIVSA-N 316.449 2.794 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 5670817 XUKVLLMZTCYHIQ-BCWBERDBSA-N 309.724 2.941 0 40 DFAB COc1ccc([C@H]2CCCN2Cc2nc(C)no2)cc1OC 40067066 KAYKQTNBASZCFP-CYBMUJFWSA-N 303.362 2.732 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 44396 VERYUBMGOYROMP-CYBMUJFWSA-N 310.353 2.687 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)OCO3)o1 30989784 JTZWBWRGACTAND-NSHDSACASA-N 302.330 2.877 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 38960 VUWZXNGVHIMCAM-UHFFFAOYSA-N 321.398 2.572 0 40 DFAB Nc1nccnc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 11265387 PTZARKDJVRBUGD-UHFFFAOYSA-N 321.384 2.560 0 40 DFAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1 1377927 NPIXJKSRYOYALK-HOTGVXAUSA-N 301.390 2.740 0 40 DFAB O=CN[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O 1873078 QUWUQXPHWCHJIS-HNNXBMFYSA-N 315.394 2.708 0 40 DFAB in-vivo Cc1ccc(OC2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)cc1C 69414199 YYTNAFLVWLWBIH-RHSMWYFYSA-N 303.402 2.851 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 3325403 KYKOOFPNYSVUKD-UHFFFAOYSA-N 324.258 2.936 0 40 DFAB COc1cc(NC(=O)NC[C@@H](O)c2ccccc2)cc(OC)c1 69436162 RSQUCRJUIGFUTR-MRXNPFEDSA-N 316.357 2.559 0 40 DFAB Cc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 3648586 DWRXIPCAKFLRHR-UHFFFAOYSA-N 321.380 2.774 0 40 DFAB C[C@]12CC[C@@H]3[C@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104631 OFAZPSYXUKIJIK-NEZHRVCGSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(Cc1ccccc1)C1CC1 101126920 ORSVVSSOIQKSLM-IRXDYDNUSA-N 310.397 2.560 0 40 DFAB CCC(=O)OCCCC(CCCOC(=O)CC)OC(=O)CC 4684035 KTHPWGNIDCEZKF-UHFFFAOYSA-N 316.394 2.775 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc2ccccc2[nH]1 29261476 LGOVSQPCORHRLK-UHFFFAOYSA-N 307.353 2.539 0 40 DFAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1[C@@H]2CCC[C@@H]12 101975940 VDPSVWQLEWONJY-VXGBXAGGSA-N 323.339 2.814 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)n3ccnc3)co2)cc1 69442708 BHEFYLRJILHIFK-CQSZACIVSA-N 324.384 2.766 0 40 DFAB COc1ccccc1CNn1c(-c2ccncc2)n[nH]c1=S 8496037 CBNLHCCVJJPKAJ-UHFFFAOYSA-N 313.386 2.755 0 40 DFAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)C[C@@H]1CCCO1 102386640 OEDWUNAOJCWAKW-LEUOFYLZSA-N 312.413 2.801 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H]2COc3ccccc3C2)c(C)c1 32927590 WBAFBKBAZJGJHM-OAHLLOKOSA-N 317.410 2.585 0 40 DFAB C[S@](=O)c1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1 60488653 QYAYAQAXXBGPTL-JOCHJYFZSA-N 313.422 2.843 0 40 DFAB CCN(CC)c1ccc(-c2nnc(SCCO)n2CC)cc1 60657270 VRWJWSYQQCMWBC-UHFFFAOYSA-N 320.462 2.896 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 22250966 BEUHYQNPAHGESP-UHFFFAOYSA-N 309.365 2.585 0 40 DFAB CCc1cc2c(=O)[nH]c(CC(=O)c3ccoc3C)nc2s1 53843893 XTXNLYHTARTUOV-UHFFFAOYSA-N 302.355 2.874 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 23077959 SWQRXIRXRCMEGM-WBMJQRKESA-N 304.415 2.696 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 12323204 GMEPCZQTRCLLDY-HNNXBMFYSA-N 306.369 2.749 0 40 DFAB Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1-n1cncn1 24754006 AUJKUNNAQSIYGZ-UHFFFAOYSA-N 317.736 2.778 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100643910 HCPVRENOBXLPIP-GYSYKLTISA-N 301.415 2.960 0 40 DFAB CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2ccoc2C)c1 55475100 AYSSBORGZBLGCY-UHFFFAOYSA-N 302.330 2.524 0 40 DFAB C[C@H](C(=O)Nc1nccs1)N(C)Cc1ccc(F)cc1F 25071620 LJVYHMDBYWNAHG-SECBINFHSA-N 311.357 2.880 0 40 DFAB CN(C)CC(C)(C)CNC(=O)Cc1csc(-c2ccco2)n1 43590480 OEPJRLFCLBZDTF-UHFFFAOYSA-N 321.446 2.650 0 40 DFAB CNc1snc(C)c1C(=O)NC[C@H](c1ccsc1)N(C)C 25332187 SVQSPTFIWQCIJR-LLVKDONJSA-N 324.475 2.587 0 40 DFAB CCc1cc(=O)oc2c3c(ccc12)OCN(C[C@H]1CCCO1)C3 57140194 SRWPKWVHFKGFFG-CYBMUJFWSA-N 315.369 2.686 0 40 DFAB Cc1nccn1CCCNC(=O)N[C@H](C)CCc1ccccc1 57443169 BKBKFWWNFYWTSG-OAHLLOKOSA-N 314.433 2.902 0 40 DFAB CCCN1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 58064436 TYHJKGOIYBRWGH-CQSZACIVSA-N 300.406 2.825 0 40 DFAB CC1=CSC2=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N12 2327325 HWRDQJNLGQTQJH-UHFFFAOYSA-N 305.203 2.797 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)NCc3cccs3)cc12 48105197 VROSHLJHZDUBLK-UHFFFAOYSA-N 301.375 2.660 0 40 DFAB O=C(c1ccccc1Cl)N1CCN(Cc2cscn2)CC1 48326389 QNVOJSKFZLTUKJ-UHFFFAOYSA-N 321.833 2.755 0 40 DFAB COC(=O)c1ccc(OC(=O)Cn2nc(C)c(Cl)c2C)cc1 13568781 CSLJCGCGGZCOOB-UHFFFAOYSA-N 322.748 2.546 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 13566302 FMGRFCGCYQWSLF-UHFFFAOYSA-N 317.389 2.569 0 40 DFAB in-vitro CCCOc1ccccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 69775926 VDTBFPUJUWQDAJ-GFCCVEGCSA-N 321.421 2.900 0 40 DFAB CCOC(=O)[C@H](Cc1cccc(C)c1)Sc1nnc(N)s1 4483142 FVFBLAWDBZCUCB-NSHDSACASA-N 323.443 2.695 0 40 DFAB COCc1cccc(NC(=O)Cc2cn3cccc(C)c3n2)c1 65476846 ZJVKMNLBTKMPML-UHFFFAOYSA-N 309.369 2.970 0 40 DFAB Cc1nc([C@H](NC(=O)Cc2cccs2)c2ccccc2)n[nH]1 69898844 CFILOIYZSABXKD-OAHLLOKOSA-N 312.398 2.623 0 40 DFAB CCCNC(=O)[C@H](C)[S@](=O)Cc1cccc(C(F)(F)F)c1 69812369 YESSTZRYKFHWNQ-CWKPULSASA-N 321.364 2.869 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1O 4923813 WLXXKRVNQWXWSH-CORIIIEPSA-N 319.401 2.798 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1 6975935 OKGHYRWAOCOIPA-UHFFFAOYSA-N 320.824 2.761 0 40 DFAB COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cnc(C)cn1)[C@H]2C 96005916 IJKRGTJXBIRPOV-STQMWFEESA-N 311.385 2.942 0 40 DFAB CN(Cc1ccc2ccccc2c1)S(=O)(=O)[C@@H]1CCCOC1 96003804 NHIPMBGETNHWLJ-QGZVFWFLSA-N 319.426 2.780 0 40 DFAB COc1cccc(C2(C(=O)N3CC[C@H]([C@@H](C)O)C3)CCCC2)c1 96004213 JESDXVWKDYHRBN-CABCVRRESA-N 317.429 2.736 0 40 DFAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCCS2(=O)=O)cc1 96011658 SKGSOMYKDJGXLX-AWEZNQCLSA-N 309.431 2.890 0 40 DFAB O=C(Nc1nnc(CC2CCCC2)s1)N1CCSCC1 71803418 UJLYADTZUVBQJQ-UHFFFAOYSA-N 312.464 2.852 0 40 DFAB COc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 71893568 OCTTVKANPWFLPC-LBPRGKRZSA-N 322.405 2.680 0 40 DFAB O=C(CSCc1ccccc1)Nc1nnc([C@H]2CCCO2)o1 71803661 FNGOEQTVZOSRSD-GFCCVEGCSA-N 319.386 2.793 0 40 DFAB O=C(CCSc1ccccn1)Nc1ccc2oc(=O)[nH]c2c1 87064214 XOKGLZTXUIAYCV-UHFFFAOYSA-N 315.354 2.637 0 40 DFAB CCC1(C(=O)NCc2ccc(S(C)(=O)=O)c(C)c2)CCCC1 89948178 KTJKLBIYEWVVEQ-UHFFFAOYSA-N 323.458 2.985 0 40 DFAB Cc1nc(C)c(CNC2CCN(c3nccs3)CC2)s1 97081064 DNHFFYBXIINYJQ-UHFFFAOYSA-N 308.476 2.975 0 40 DFAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCC(C)(C)c1ccncc1 97049592 HEHSBXKVSPMUOW-GOEBONIOSA-N 319.449 2.552 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H]3CCc4nccn4C3)coc2c1C 97197813 PRRYAHBCDBWELH-HNNXBMFYSA-N 323.396 2.920 0 40 DFAB Cc1ccc(C)c(OC[C@H](O)CSc2cccc[n+]2[O-])c1C 72789149 SSPYYAYVDQVHQH-HNNXBMFYSA-N 319.426 2.777 0 40 DFAB O=C(Cc1cccnc1)N(Cc1ccccc1)CC1(O)CCCC1 95417466 UEEGZTZEKZTJDC-UHFFFAOYSA-N 324.424 2.958 0 40 DFAB O=C(Nc1cc(F)ccc1SCC(F)F)N1CC[C@H](O)C1 78937748 DMVMAOPGUHKQEX-VIFPVBQESA-N 320.336 2.781 0 40 DFAB CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1c[nH]c(C(C)C)n1 78985442 GKPPIMLXOICXCF-LBPRGKRZSA-N 322.434 2.700 0 40 DFAB CC(C)N1CCO[C@@H](c2noc(C3(c4ccccc4)CC3)n2)C1 95999227 REWRVHMPELINOS-OAHLLOKOSA-N 313.401 2.931 0 40 DFAB CCCc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)o1 95966481 NHSHMQLKLXZYNS-UHFFFAOYSA-N 304.390 2.574 0 40 DFAB CS(=O)(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccco1 95946177 KFDJZXQKTJUNSO-CYBMUJFWSA-N 308.334 2.529 0 40 DFAB CCCn1cc(N[C@H](C)CS(=O)(=O)c2ccccc2)cn1 95939152 MTBBEJAMPSHXJE-CYBMUJFWSA-N 307.419 2.567 0 40 DFAB Cc1ccc(-c2nc(CNc3ncnc4[nH]cnc34)co2)cc1 75065415 ZPBWRQFDBIJSTM-UHFFFAOYSA-N 306.329 2.928 0 40 DFAB CCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225563 CNFYGVMVVQLMHT-UHFFFAOYSA-N 319.405 2.731 0 40 DFAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(C=O)cc2)CC1=O 408653964 FSQSUMBJYNDHGP-OAHLLOKOSA-N 323.348 2.766 0 40 DFAB Cn1ccnc1-c1cccc(NC(=O)NC2CCC(O)CC2)c1 77445426 LVLKCOUEYIOTIM-UHFFFAOYSA-N 314.389 2.512 0 40 DFAB CCN1CCC[C@@H]1CNc1ncnc2c1cnn2-c1ccccc1 72238777 YJTNEUDTPQLASB-OAHLLOKOSA-N 322.416 2.712 0 40 DFAB O=C(c1ccccc1[C@@H]1CCNC1)N1CCOC2(CCCC2)C1 72133669 WPTXBLIAFHQPSS-OAHLLOKOSA-N 314.429 2.549 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1C 31177851 PNMVYESOCAGYFF-INIZCTEOSA-N 302.349 2.686 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)Nc2nccs2)cc1 226752415 QFLUEBLPWGLDLL-NSHDSACASA-N 320.370 2.739 0 40 DFAB CN(C)c1ccnc(CNC(=O)c2cccc3ccccc23)n1 224192858 CKYLSWBNBANTHP-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB CSc1cccc(C)c1NC(=O)N(CCO)CC(F)F 194006340 NVKHRXPFTXRNGS-UHFFFAOYSA-N 304.362 2.808 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 192670743 QMFSNJUHODTNNS-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB O=C(N[C@@H]1CCCOc2cc(F)ccc21)N[C@@H]1CCCC[C@@H]1O 96495756 XLLAZNIUEDXCRJ-KFWWJZLASA-N 322.380 2.642 0 40 DFAB c1cc(CN2CCC3(CC2)CO[C@@H](COCC2CC2)C3)ccn1 96105966 CQPFJBPZWOMLIB-GOSISDBHSA-N 316.445 2.879 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@H]12 96100381 CHYJWVKVZYFTJL-ICSRJNTNSA-N 321.424 2.570 0 40 DFAB NC(=O)c1ccn(-c2ccccc2NC(=O)C2=CCCCCC2)n1 97099980 HYGKPDHBIZXIGX-UHFFFAOYSA-N 324.384 2.800 0 40 DFAB COc1ccsc1S(=O)(=O)NCc1cc2ccccc2o1 96472432 VSQWTAHYDTVSRD-UHFFFAOYSA-N 323.395 2.981 0 40 DFAB CCN(Cc1cccc2c1OCCO2)C(=O)c1csnc1C 97237489 CGZJWSKXLQCFFT-UHFFFAOYSA-N 318.398 2.885 0 40 DFAB O=C(CNC(=O)c1ccsc1)N[C@@H]1C[C@@H]1C1CCCCC1 96440858 XMFNJAJAJFGZQY-ZIAGYGMSSA-N 306.431 2.563 0 40 DFAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2sccc2c1 96471645 FLCUXZAPQUQQBL-ZDUSSCGKSA-N 302.399 2.594 0 40 DFAB CC(C)[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccncc1 96484573 RODZGOAFPWHLSI-PMPSAXMXSA-N 305.422 2.581 0 40 DFAB CN(C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nccs1 96425016 VIVKNCDCANSDBY-NEPJUHHUSA-N 316.382 2.681 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ncccc2C)cc1 96443089 GSDPTUPBUUATAU-INIZCTEOSA-N 323.396 2.828 0 40 DFAB O[C@@H](CN1CC[C@H](CNc2ccccn2)C1)c1cccc(F)c1 97200704 XFNPAUWWYXGEMN-PBHICJAKSA-N 315.392 2.688 0 40 DFAB COc1ccc([C@@H]2CNCCN2C(=O)CCc2ccccc2)cc1 257337388 YSPMVLSNYNKGMB-IBGZPJMESA-N 324.424 2.801 0 40 DFAB COc1ccc([C@@H]2Cn3ccnc3CN2Cc2c[nH]nc2C)cc1 257269721 MRCLUWJTMUASHH-KRWDZBQOSA-N 323.400 2.680 0 40 DFAB Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3ccn[nH]3)cn2c1 257240944 HVVGPNRWLZKUBF-HNNXBMFYSA-N 309.373 2.733 0 40 DFAB Cc1cc2nccc(C3CCN(c4ccnc(C)n4)CC3)n2n1 257332570 XXXFSYXMVWLTIG-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2nccnc2-c2nc(C)c[nH]2)ncn1 257266445 MDATXUAXLZOMLE-CYBMUJFWSA-N 321.388 2.615 0 40 DFAB CCn1cc(C(=O)N2CCC[C@H](c3nccs3)C2)c(C)n1 257256994 KNQWQHWYEBTVBV-LBPRGKRZSA-N 304.419 2.688 0 40 DFAB COC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@@H]1CCCO1 284908377 VDZFHCQWBPNTEH-SNPRPXQTSA-N 317.389 2.581 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc(Cl)s1 47029104 WIGALMRJCJXRLN-JTQLQIEISA-N 312.826 2.828 0 40 DFAB O=C(N[C@@H]1C[C@H](C(=O)O)CC(F)(F)C1)OCc1ccccc1 953093617 NAUHKLPUBAJUKE-NWDGAFQWSA-N 313.300 2.801 0 40 DFAB O=C(O)[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 62133746 WRAPJURWKCFBPI-NSHDSACASA-N 306.749 2.902 0 40 DFAB Cc1ccc(CNC(=O)CN2CCC(C(F)(F)F)CC2)cc1 75996167 PPTDBBWUWABOON-UHFFFAOYSA-N 314.351 2.886 0 40 DFAB O=C(O)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 5684817 XRLMZQGGWGSOIB-CYBMUJFWSA-N 312.354 2.580 0 40 DFAB COc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)O)cc1 12159420 UTYKVVOSRRQAMB-JKSUJKDBSA-N 317.385 2.512 0 40 DFAB C[C@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 12187165 JMINFJSLOZKTMM-MAUKXSAKSA-N 312.457 2.955 0 40 DFAB CC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C)ccc1OC 12362913 WZLOZPMERDWXAC-INIZCTEOSA-N 304.434 2.537 0 40 DFAB O=C(O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 13259559 HMWAFNMJCPCPNT-UHFFFAOYSA-N 307.309 2.823 0 40 DFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2C(=O)O 169304477 GGGLJXMPHPRWIQ-XJNFMUPTSA-N 313.397 2.996 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCC(Nc3ccncn3)CC2)c1 1888853157 DERDYFNADNVIDZ-UHFFFAOYSA-N 310.401 2.810 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 14095811 QJZHSTUWIIIKKD-SJCJKPOMSA-N 312.369 2.920 0 40 DFAB Cc1cnc([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cn1 1848352131 OZZADWTZNHNNGQ-SFHVURJKSA-N 308.385 2.840 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NCc1cnn(Cc2ccccc2)c1 30908876 QNQFVERXZVSIKK-SFHVURJKSA-N 321.428 2.832 0 40 DFAB Cc1cccc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)n1 238951132 WYGCHONMIYLZSS-ZDUSSCGKSA-N 318.323 2.962 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)c3ccccc3C)CC2=O)cc1 5193603 ZLJWFMDTILECND-HNNXBMFYSA-N 308.381 2.839 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1cnc2sccn2c1=O 6495298 IKMXEVSUDZJHMV-UHFFFAOYSA-N 305.746 2.662 0 40 DFAB NC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1 3429872 ZTPXNLGNHKXRII-UHFFFAOYSA-N 310.762 2.518 0 40 DFAB CCC(CC)N(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 40063310 QGMOYGMYZGKNOF-UHFFFAOYSA-N 324.446 2.623 0 40 DFAB NC(=O)NCCCCCC(=O)NCC12CC3CC(CC(C3)C1)C2 20005257 UNIYKJIDTFHEMV-UHFFFAOYSA-N 321.465 2.548 0 40 DFAB CCc1nnc(SCc2ccc(OCC(C)C)cc2)n1N 305911 NFSKAZQXODEVBF-UHFFFAOYSA-N 306.435 2.881 0 40 DFAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(F)cc2)C1=O 1361775 OGMKXHOSRITBOE-NSHDSACASA-N 314.316 2.578 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nncs2)c1 3389418 PZWNRDXMUYYBSC-VIFPVBQESA-N 307.400 2.860 0 40 DFAB O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc13)CCCC2 6119525 JMYJGQCTYMJKGQ-OAHLLOKOSA-N 311.337 2.586 0 40 DFAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3)CC2)n1 6233299 FISFBFFYJKICBK-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB CC(=O)COC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 6478806 FOYIDQKCSQGDRU-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(O)cc1 6747790 DRVBGWFMTQYLLR-QGZVFWFLSA-N 305.337 2.957 0 40 DFAB CC(=O)c1cccc(OCc2cc(=O)n3ccsc3n2)c1 7029026 BUBOTZBBYZJJOW-UHFFFAOYSA-N 300.339 2.538 0 40 DFAB CN(C)C(=O)COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 52229364 PQERQPBRWQLJNR-UHFFFAOYSA-N 312.778 2.642 0 40 DFAB C[C@H]1Cc2ccccc2N1CC(=O)NC(=O)NC1CCCCC1 2653699 SHBZJENVKBMZAP-ZDUSSCGKSA-N 315.417 2.596 0 40 DFAB CC[C@@](C)(NC(=O)Nc1c(C)ccn(C)c1=O)c1nccs1 75110183 QFQXFWJMYVKWRA-OAHLLOKOSA-N 320.418 2.597 0 40 DFAB Cc1cc(C)cc(C2(C(=O)NCc3c(C)cc(C)[nH]c3=O)CC2)c1 75118750 BRDUOENUVNWCDM-UHFFFAOYSA-N 324.424 2.957 0 40 DFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCCC[C@@H]3C)ccc21 23112536 XAPAZQZLQSGTHY-LBPRGKRZSA-N 313.401 2.739 0 40 DFAB Clc1ccc([C@H]2C=C(c3cccnc3)Nc3nnnn32)cc1 103419220 RGTZKVJTUMOTRQ-CQSZACIVSA-N 310.748 2.778 0 40 DFAB Brc1ccc(-c2ncn([C@H]3CCCCO3)n2)nc1 113193178 XZGBRNYIIHOXIN-LLVKDONJSA-N 309.167 2.802 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)N1CC[C@@H]1c1ccccc1 43077332 WIQUYZDXJXTEKL-HZPDHXFCSA-N 324.380 2.983 0 40 DFAB O=C(NCCc1cccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 58227101 VQPNDZKZCFNXDI-LJQANCHMSA-N 323.440 2.653 0 40 DFAB O=C(c1ccnc(-n2cncn2)c1)N1CCCCc2ccccc21 58230305 PDLVPSOCHPANPF-UHFFFAOYSA-N 319.368 2.645 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1 3228516 ZVMRIEUSFJLVAU-UHFFFAOYSA-N 313.353 2.801 0 40 DFAB CCOC(=O)C(=Cc1cn(C)c2ccccc12)C(=O)OCC 2378790 XSZKOWMCJJXDKR-UHFFFAOYSA-N 301.342 2.688 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 12775973 BQBALPBPGUVQCG-NSHDSACASA-N 318.300 2.824 0 40 DFAB Cn1cc(C(=O)N[C@H]2CCc3ccccc32)c(-c2cccnc2)n1 48302431 QHISGYFJBDLBTC-KRWDZBQOSA-N 318.380 2.899 0 40 DFAB CC(=O)N(C)CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 49431986 HYKFICSRQOVUSG-UHFFFAOYSA-N 315.200 2.577 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 65538892 JBEOHUXESWTGEB-LLVKDONJSA-N 308.378 2.855 0 40 DFAB Cn1ncc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 14212874 VBLIVGFZSFCFOX-UHFFFAOYSA-N 307.279 2.994 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1cccnc1 8745308 BEJLAUCZCVXATK-UHFFFAOYSA-N 313.357 2.620 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 5531942 BBDGDYGKTHXBLA-UHFFFAOYSA-N 324.336 2.972 0 40 DFAB Cn1nnnc1SCc1csc(-c2ccc(F)cc2)n1 6643602 WYLNUSINILIBRA-UHFFFAOYSA-N 307.379 2.765 0 40 DFAB COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 6664311 DKXMKKDSXFRIFV-LBPRGKRZSA-N 309.369 2.991 0 40 DFAB C[C@@H](OC(=O)c1ccc(O)cc1)c1nc2ccccc2c(=O)[nH]1 5665332 LEFHLMKSRUYNLE-SNVBAGLBSA-N 310.309 2.547 0 40 DFAB C[C@H](OC(=O)c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 5665776 MDWYXCDVZBESDG-JTQLQIEISA-N 312.300 2.980 0 40 DFAB CC[S@@](=O)c1ccccc1C(=O)NCc1ccccc1F 6847166 WEEMFIDEVZOQOQ-NRFANRHFSA-N 305.374 2.883 0 40 DFAB Cc1ccc2nc(SCn3nnc4ccccc4c3=O)[nH]c2c1 6908910 HHUOFGCHUSINHL-UHFFFAOYSA-N 323.381 2.726 0 40 DFAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1CCCCC1 7441090 SGGWZKHWHQLGEJ-GFCCVEGCSA-N 315.373 2.953 0 40 DFAB COCCN(CCCc1ccccc1)C(=O)[C@@H](C)n1ccnc1 68269988 FRRVFFILZZUTJC-MRXNPFEDSA-N 315.417 2.552 0 40 DFAB CCOc1ccc2nc(S[C@@H](C)C(=O)NC(C)C)[nH]c2c1 7901095 DRESMBWVTXDJAV-JTQLQIEISA-N 307.419 2.967 0 40 DFAB COCCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl 7979257 YMOBPVTWMBXELG-UHFFFAOYSA-N 321.808 2.578 0 40 DFAB O=C(NCCc1ccc(F)cc1)NC[C@H](O)c1cccc(F)c1 69072345 BDZIFZRSYJFROP-INIZCTEOSA-N 320.339 2.540 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2cccc(OC)c2)cc1 8128492 MXKZGMSDDZPFIO-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB CN1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1 19360704 CVGGGHXYFRXDBC-UHFFFAOYSA-N 324.403 2.888 0 40 DFAB C[C@H](CNC(=O)NC[C@H]1Cc2ccccc2O1)c1nccs1 96013773 ZUXDVNRFAUFASI-DGCLKSJQSA-N 317.414 2.550 0 40 DFAB Cn1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cn1 96305159 TUQPQSQSIVIKNM-LZYBPNLTSA-N 303.321 2.918 0 40 DFAB Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccncc1 22237491 UTCGACFRKKGUMK-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB COc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 89642154 CPCCOWMEZQABGC-UHFFFAOYSA-N 318.398 2.770 0 40 DFAB O=C(CSC1=Nc2ccccc2CS1)NC[C@@H]1CCCO1 9690384 XALYKVYPJVURDL-LBPRGKRZSA-N 322.455 2.949 0 40 DFAB O=C(CCc1ccco1)NCCc1csc(N2CCCC2)n1 71908427 SWHRKKVAUBSOBG-UHFFFAOYSA-N 319.430 2.628 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@H](CCO)C2CCCCC2)c1 83925511 ZVXRPCDVFVHIHE-MRXNPFEDSA-N 321.417 2.765 0 40 DFAB CC(C)Cc1noc(CCN2C(=O)[C@H](C)Oc3ccccc32)n1 89919849 XNDAPGITNPRIDB-LBPRGKRZSA-N 315.373 2.625 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)CCc2cccs2)no1 72299291 CDBZEKLTOOTDSO-LBPRGKRZSA-N 305.403 2.990 0 40 DFAB O=C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)NCC1CC1 97047232 BMIAPQOOYAXABB-UHFFFAOYSA-N 316.188 2.641 0 40 DFAB O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN(CC(F)(F)F)C1 97082182 FFRLYPLPKUOMOL-SECBINFHSA-N 320.286 2.744 0 40 DFAB FC(F)(F)c1cc([C@@H]2CCCN(CCn3cccn3)C2)n[nH]1 76060342 MTYFBYHMVXSVCX-LLVKDONJSA-N 313.327 2.505 0 40 DFAB FC(F)(F)c1ccnc(NCCN2CCc3ccccc3C2)n1 97150702 UPBOJTDHYIJXQR-UHFFFAOYSA-N 322.334 2.966 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H]1C[C@@H]1c1ccco1 76089374 BVUSZMLPGNSCET-QWRGUYRKSA-N 320.418 2.577 0 40 DFAB CC(C)c1cnc(NC(=O)CNC(=O)c2ccsc2)s1 76088952 WLFJQHLNXFCACG-UHFFFAOYSA-N 309.416 2.697 0 40 DFAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNCC(F)(F)F)C1 76041866 XSLSKUKLUQEUSH-MFKMUULPSA-N 318.314 2.887 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)CCOC2CCOCC2)c2ccccc21 84541112 KSGDBEURQTVNMI-CXAGYDPISA-N 303.402 2.937 0 40 DFAB O=C(OCCCn1cccn1)[C@@H]1C[C@]12CCOc1ccccc12 95404964 VSTNYEBKJZNWLA-YJBOKZPZSA-N 312.369 2.557 0 40 DFAB CCNC(=O)c1ccc(O[C@H](C)c2ccc(C(=O)OC)o2)cc1 95460336 QGLOHQZYHZKXAQ-LLVKDONJSA-N 317.341 2.956 0 40 DFAB C[C@](NC(=O)CCc1ccc(Cl)s1)(C(=O)O)C1CC1 95989607 UCDRYAYHCGUFKV-CYBMUJFWSA-N 301.795 2.704 0 40 DFAB COCCCCS(=O)(=O)N[C@H](C)c1cccc(Cl)c1 95945090 KOHLQTXJSZBRCP-LLVKDONJSA-N 305.827 2.747 0 40 DFAB Cc1cc(CN(CCO)c2ccc(Br)cc2)on1 95973607 LMCJFOGFWZBFFL-UHFFFAOYSA-N 311.179 2.744 0 40 DFAB Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@@H](CO)C2)c1 74768993 KYWSGXYDDVBQJG-JKSUJKDBSA-N 304.434 2.648 0 40 DFAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCn1ccnc1 20460000 QSBCHYHPJMJSOC-MRXNPFEDSA-N 301.390 2.555 0 40 DFAB COC(=O)c1ccnc(NC(=O)[C@@H](SC)c2ccccc2)c1 172551082 YVRHSSCCRWGNLV-AWEZNQCLSA-N 316.382 2.911 0 40 DFAB CCOC(=O)c1cnc2cc(-c3ccccc3)nn2c1COC 409132714 KOBXGXJAHQOHES-UHFFFAOYSA-N 311.341 2.719 0 40 DFAB O=C(OCc1ccccc1)N1CCNC[C@H]1Cc1ccccc1 39952228 HCQYTZKUECDAAC-GOSISDBHSA-N 310.397 2.840 0 40 DFAB COc1cccc(-c2cncc(C3CCN(C(C)=O)CC3)n2)c1 72359311 UFTHUHSOJZSSCD-UHFFFAOYSA-N 311.385 2.878 0 40 DFAB C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc[nH]1)NC(=O)OC(C)(C)C 79529006 LBHNSFWJILWJIT-GXTWGEPZSA-N 321.421 2.982 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cc2c(cc1O)CCCC2 71285975 WZOFDUSFSXBODD-ZIAGYGMSSA-N 303.358 2.566 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1 74916202 PEUOMQWXHLSAGA-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB Cn1c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc2ccccc21 44300421 CAKFALZXKYVBNH-ZDUSSCGKSA-N 318.373 2.699 0 40 DFAB COc1cc(NC(=S)NCc2ccccc2Cl)ncn1 225182156 PYLZFBMYGWYYOD-UHFFFAOYSA-N 308.794 2.625 0 40 DFAB CC[C@@H](NC(=O)c1cc(C2CC2)no1)c1c(C)nn(C)c1C 328726338 UOKIRWDFQGPKGR-GFCCVEGCSA-N 302.378 2.783 0 40 DFAB Cc1nc(-c2cccc(NC(=S)NCCCO)c2)cs1 225179736 QZWYWZSDVSVMRX-UHFFFAOYSA-N 307.444 2.787 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2cccc(CO)c2)C1 228910311 OOOVGMGSSOKZBJ-AWEZNQCLSA-N 306.406 2.672 0 40 DFAB COC[C@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)N1C 96208692 XWNBZVAHIDBJNZ-CQSZACIVSA-N 322.474 2.772 0 40 DFAB Cc1cnc(CNC(=O)Nc2cnn(CC(F)(F)F)c2)s1 96435010 BLEUYYPHLXJOKC-UHFFFAOYSA-N 319.312 2.532 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(F)c(-n2cccc2)c1 96456574 ZEMIIRLSVAETTN-INIZCTEOSA-N 317.364 2.851 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3C)CC2=O)c1 96685580 RBJUEKYPVKWOSK-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB CCOc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1OC 95533494 BOACTYOVIOPOGH-MRXNPFEDSA-N 324.384 2.927 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(F)c(Br)c1 96435598 LULYTWTULVHAFZ-UHFFFAOYSA-N 319.174 2.824 0 40 DFAB CCOc1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 96058759 ZKOTUQJIYQZQDE-UHFFFAOYSA-N 301.365 2.615 0 40 DFAB c1cn2c(n1)CN(Cc1ccoc1)C[C@H](COCC1CC1)C2 96187879 RZFAUQPLVMZMLZ-INIZCTEOSA-N 301.390 2.535 0 40 DFAB CN(C)CC[C@@H]1CN(Cc2ccccc2F)Cc2cncn21 248140404 TZLPRRSMKIYKNC-OAHLLOKOSA-N 302.397 2.531 0 40 DFAB Cc1cc2cc(C(=O)N3CCOC[C@H]3c3ccn[nH]3)ccc2o1 257333156 YAJZPFIGQICGSF-HNNXBMFYSA-N 311.341 2.678 0 40 DFAB Clc1cnc(NC[C@@H]2COC3(CCOCC3)O2)c(Cl)c1 252491835 LVZLFESPVZXDAU-SNVBAGLBSA-N 319.188 2.722 0 40 DFAB CN1[C@@H]2CN(C(=O)c3n[nH]c4ccccc34)[C@@H]3CCC[C@H]1[C@]3(C)C2 257211885 CAXYAEJEFQIYJJ-XJTZBENFSA-N 324.428 2.650 0 40 DFAB O=C(NC[C@H](Cc1cccc(F)c1)n1cccc1)c1ccno1 85467815 NDVZYEWOMSZXQG-HNNXBMFYSA-N 313.332 2.829 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1F)OC 96384421 DEVFOOMRWRTASU-MRXNPFEDSA-N 303.333 2.952 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccnc2Cl)C1 575415046 LXSIEEGKXYWZKY-JTQLQIEISA-N 312.801 2.624 0 40 DFAB C[C@@H](Cn1cncn1)Nc1ccccc1OCC(F)(F)F 585142125 PKGLPPMLMKCRLO-JTQLQIEISA-N 300.284 2.720 0 40 DFAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 54859713 YOVUVPMLCYFFNY-IAGOWNOFSA-N 314.429 2.827 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1cc2ccccc2c(=O)[nH]1 53476814 GPLCONOZVVKFGT-MRXNPFEDSA-N 304.349 2.945 0 40 DFAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCc2sccc2C1 54771510 HBEMRWUOOTWBPO-UHFFFAOYSA-N 310.378 2.788 0 40 DFAB O=C(NCCC1=CCCCC1)C1CN(C(=O)c2cccs2)C1 62022599 BOVVZLWEUSYEPN-UHFFFAOYSA-N 318.442 2.827 0 40 DFAB O=C1Cc2cc(Cl)c(Cl)cc2N1C(=O)Nc1cnccn1 96190964 BEPWGNABGPNDPS-UHFFFAOYSA-N 323.139 2.905 0 40 DFAB C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1 90181700 LWCHNLNOIZXILS-JQWIXIFHSA-N 310.344 2.702 0 40 DFAB O=C(/C=C/c1c(Cl)nc2ccccn12)OC[C@@H]1CCCO1 3231163 KAHMEIZDIQUGPD-MLRMMBSGSA-N 306.749 2.723 0 40 DFAB CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CO2 5114817 QRMBOSPEQFQJFS-UHFFFAOYSA-N 312.329 2.745 0 40 DFAB O=C(CSc1nccc2ccccc12)N[C@@H]1CCCOC1 12148334 IVYRCEMIMBRNRM-CYBMUJFWSA-N 302.399 2.622 0 40 DFAB Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@@H]2CCOC2)n1 12226289 YQTRUCUWNVEWEC-DGCLKSJQSA-N 322.455 2.950 0 40 DFAB C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@@H](C)O1 12686637 ZUPJCMOXQXWJDG-AOOOYVTPSA-N 300.761 2.527 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 14504553 MHJLKHNHGMUAPQ-YVEFUNNKSA-N 316.353 2.983 0 40 DFAB endogenous,in-man COc1cc(N)ccc1NC(=O)c1ccc(OC)c(OC)c1 20343541 LRPHQSDVYVSVHV-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB C[C@@H]1CN(C(=O)c2c(Cl)c3ccccc3n2C)C[C@@]1(C)CN 579368265 IUFJCAHQSGKYSP-PIGZYNQJSA-N 319.836 2.889 0 40 DFAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCCC1 5280140 XNCWWLUDZWWFMM-CQSZACIVSA-N 312.369 2.645 0 40 DFAB COc1ccccc1CC(=O)N1CCc2cc(C(=O)O)ccc21 13447801 IVZYEODPBWXZBI-UHFFFAOYSA-N 311.337 2.525 0 40 DFAB CC(C)CN(CC(N)=O)Cc1csc(-c2ccccc2)n1 26125463 YRNSJSNNRJJBPT-UHFFFAOYSA-N 303.431 2.753 0 40 DFAB Cc1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)c(C)o1 239579028 DDTQYFVMFLEKJF-INIZCTEOSA-N 310.357 2.659 0 40 DFAB COc1ccc(CC(=O)OCC(=O)c2ccc(OC)cc2)cc1 482407 VDGRFUDVQCAZCL-UHFFFAOYSA-N 314.337 2.672 0 40 DFAB C[C@@H](Nc1cccc(CN2CCOCC2)c1)C1CCN(C)CC1 97038041 JQEPPMKMKNVWBP-MRXNPFEDSA-N 317.477 2.661 0 40 DFAB Cc1ccc(NCCOc2ccccc2F)cc1-n1cnnn1 40083285 MTUVRJNUTLYVSG-UHFFFAOYSA-N 313.336 2.601 0 40 DFAB COc1cccc(CNC2CCN(C(=O)c3ccoc3)CC2)c1 30668654 GXRKKHIFLFRZPZ-UHFFFAOYSA-N 314.385 2.683 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1c(C)nc2ccccn12 96777 KUECLCAUBHRQDU-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB O=C(/C=C/c1ccc(Br)o1)NCc1cccnc1 40457646 CZTDGNCOXRHKNM-GQCTYLIASA-N 307.147 2.767 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc2n1 69432373 XWXCUBHXRYHENB-CYBMUJFWSA-N 310.357 2.810 0 40 DFAB Cc1ccc2nc(SCC(=O)N3CCOCC3)c(C)cc2c1 932919 GROLPXVZPJSDGN-UHFFFAOYSA-N 316.426 2.803 0 40 DFAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)ccc1C(C)C 8026841 JSOGIPLYOOIFNJ-UHFFFAOYSA-N 319.401 2.820 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc32)no1 31664674 GTKRWIRHWRVJIC-LLVKDONJSA-N 300.362 2.556 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cn2)n1 40553628 LXJYWYXBJZDXDT-MRXNPFEDSA-N 310.401 2.857 0 40 DFAB Cc1csc(CCNC(=O)COc2c(C)cccc2C)n1 31849136 GSPPTQRDXHIFPM-UHFFFAOYSA-N 304.415 2.806 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1 3419195 HWIHHQDATLSRAA-UHFFFAOYSA-N 317.775 2.931 0 40 DFAB CCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1F 6351064 BDOXNYDKUIDGPS-UHFFFAOYSA-N 319.332 2.734 0 40 DFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C 6560770 JPXDAXOSYIDUSB-HNNXBMFYSA-N 317.458 2.656 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6742359 VFPBSKPRXHYBFY-DHMWGJHJSA-N 319.788 2.522 0 40 DFAB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 6951789 QCOWTBFOBDZEGO-UKTHLTGXSA-N 300.289 2.998 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1 7216936 UIBQFEMXNNUYTM-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(=O)O)cc1 7556676 QCUASPOJTIHVQB-GXFFZTMASA-N 307.419 2.755 0 40 DFAB COc1ccc(CC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 29329545 LVFURYXEHNIWBZ-UHFFFAOYSA-N 309.369 2.773 0 40 DFAB CN(C)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 32904185 ZWCILPJFOKMIKD-LBPRGKRZSA-N 318.320 2.525 0 40 DFAB CCc1cc(=O)oc2cc(OCC(=O)c3cccn3C)ccc12 29950618 QSIGPQUPOZZTTI-UHFFFAOYSA-N 311.337 2.956 0 40 DFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)s1 102701787 SUMJCWWBVQMYPE-RKDXNWHRSA-N 309.774 2.535 0 40 DFAB CC1(C)C(c2ccccn2)=[N+]([O-])[C@H](c2ccc(F)cc2)N1O 509489 AQLGECMUGBBNKT-HNNXBMFYSA-N 301.321 2.702 0 40 DFAB Cc1cc(Br)ccc1NCN1C(=O)CSC1=O 59457303 YXILDMCRCSFLSR-UHFFFAOYSA-N 315.192 2.822 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccncc1 42797530 RMAMUTPUXVVQER-QGZVFWFLSA-N 312.417 2.728 0 40 DFAB C[C@H](C(=O)NC(=O)Nc1ccccc1F)N(C)Cc1ccco1 24376666 ZXPWVOJTIBURGM-LLVKDONJSA-N 319.336 2.587 0 40 DFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccnc(Cl)c1 24679215 BIOJCQBGIMEOIY-UHFFFAOYSA-N 321.739 2.585 0 40 DFAB COc1ccccc1N(C)C(=O)[C@H]1CC(c2ccccc2)=NO1 55744770 XOAUUGRRDLXVRK-QGZVFWFLSA-N 310.353 2.851 0 40 DFAB CC(=O)N[C@H](C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C)C(C)C 106916078 NOMFLJCMUQHOCZ-CQDKDKBSSA-N 308.447 2.613 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 25744591 BDRDMLLUHQNYMI-UHFFFAOYSA-N 302.418 2.634 0 40 DFAB Cc1csc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)n1 57153319 XEEKTGOGFDRBCR-OAHLLOKOSA-N 315.442 2.732 0 40 DFAB CCOC(=O)C(=Cc1cccc(OC(F)F)c1)C(=O)OCC 3186557 PPTJRGAYSHORQZ-UHFFFAOYSA-N 314.284 2.798 0 40 DFAB COc1ccccc1[C@H](C)N(C)CC(=O)N(C)Cc1ccco1 47887823 OUKVECSMKJDFJX-AWEZNQCLSA-N 316.401 2.940 0 40 DFAB CC(C)(C)[C@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2nnc[nH]2)no1 108491740 GRXKYMHHSPESTM-NNYUYHANSA-N 316.409 2.720 0 40 DFAB O=C(CSc1ncccn1)Nc1ccc(OC(F)F)cc1 3256387 CNUXDURQWCZINW-UHFFFAOYSA-N 311.313 2.809 0 40 DFAB CCCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 12614502 AXIUWEQJACCHAE-UHFFFAOYSA-N 307.375 2.778 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCn1ncc(=O)c2ccccc21 44889018 CQMVZKRVAZZREO-AWEZNQCLSA-N 313.401 2.578 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2c(C)noc2C(C)C)n1 44953350 BITQYJXNZBMTIB-LLVKDONJSA-N 318.421 2.986 0 40 DFAB COc1ccccc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 36389986 QOAMKNSIXZGURH-XBFCOCLRSA-N 303.358 2.553 0 40 DFAB in-vitro COC(=O)C1(NC(=O)Cc2ccc(Cl)cc2)CCCCC1 12746925 GBOARZJTHLQUPH-UHFFFAOYSA-N 309.793 2.875 0 40 DFAB C[C@@H](Cn1cccn1)NCCCc1nc(-c2cccs2)no1 69348584 MNFLVSQSXWHVJM-LBPRGKRZSA-N 317.418 2.606 0 40 DFAB O=C(O)C[C@H](NC(=O)COc1cccc(F)c1)c1ccccc1 13224347 JCTRIBPSPMRKRQ-HNNXBMFYSA-N 317.316 2.537 0 40 DFAB O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)CC[C@H](O)C1 13311574 XVHOPVJSRBYOKK-AWEZNQCLSA-N 312.365 2.964 0 40 DFAB biogenic,in-vitro CC(=O)N1CCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 17062335 RMDJYQFTNDHIOB-UHFFFAOYSA-N 318.461 2.578 0 40 DFAB COc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1 13937991 YIDSWPZTDWZVIX-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB O=C(c1ccccc1NCc1ccccn1)N1CCCOCC1 20776501 MNYIMRIOHCMXGN-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB Cc1nc(CN2CCC[C@@H](C(=O)NC3CCCCC3)C2)oc1C 65965307 FTBUJGNLWGNOSK-OAHLLOKOSA-N 319.449 2.952 0 40 DFAB CC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Cl)cc2)c1C 4666960 DNTQMISTDPMTSO-UHFFFAOYSA-N 312.778 2.593 0 40 DFAB CC(C)C(=O)NCCNC(=O)N[C@@H](c1ccccc1)C1CCC1 69701584 NWLDBZFJQGYNLY-INIZCTEOSA-N 317.433 2.599 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(F)c(-n3cccc3)c2)c(=O)[nH]1 69772645 NTNPRDZASWAQPD-UHFFFAOYSA-N 311.316 2.865 0 40 DFAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(N2CCCC2=O)cc1 4788856 HDPKBAFUWIONOQ-UHFFFAOYSA-N 318.373 2.643 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cn1 66511282 RGTQQWCMKPPSQT-NSHDSACASA-N 307.350 2.546 0 40 DFAB CCOC(=O)N1CCN(C(=O)Nc2cc(C)ccc2C)CC1 6891843 DJVDBOQIXXCZBV-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB CC(C)CCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 8747695 LOTJTBOETURETD-JXMROGBWSA-N 300.402 2.989 0 40 DFAB CC[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1F 90468504 QUOIEXQDFJOODL-BXUZGUMPSA-N 303.374 2.583 0 40 DFAB CC[C@@H](NC(=O)CSc1nnc(N)s1)c1ccc(C)cc1 7535014 SMRCVIPCAUKSLJ-LLVKDONJSA-N 322.459 2.788 0 40 DFAB Cc1c(O)ccc2c(CSc3nnc(N)s3)cc(=O)oc12 7534323 BORKFMXXRAFRTG-UHFFFAOYSA-N 321.383 2.533 0 40 DFAB CC(C)[C@H](NC(=O)c1cc[nH]n1)c1nc(-c2ccccc2)no1 68227194 BGSKLWFIKFUIPA-ZDUSSCGKSA-N 311.345 2.587 0 40 DFAB Oc1ccc2cc1-c1cc(ccc1O)CC[C@@H](O)C[C@@H](O)CC2 18270805 YWQBDYGHWGZJOM-GASCZTMLSA-N 314.381 2.756 0 40 DFAB biogenic O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCCCC1 70708344 PPKVJVYBTUDALO-UHFFFAOYSA-N 317.357 2.699 0 40 DFAB C[C@H](NCc1ccc(F)c(CO)c1)c1ccc2c(c1)OCO2 90779499 RQUNTGHXXWQGAG-NSHDSACASA-N 303.333 2.898 0 40 DFAB Cc1ccc(NC(=O)Cn2c(CCCO)nc3ccccc32)cc1 7942460 VGFNRIUZSDVDPH-UHFFFAOYSA-N 323.396 2.908 0 40 DFAB COCCc1nc(C)c([C@H](C)NCCN2CCCCC2)s1 92738099 JSURSJZCZWRQFX-ZDUSSCGKSA-N 311.495 2.777 0 40 DFAB CN1CCN(c2ccccc2NC(=O)CC2CCCC2)CC1 9157480 OOVLLRRRRQYBOT-UHFFFAOYSA-N 301.434 2.957 0 40 DFAB CC(C)[C@H](NC(=O)Cn1ccnn1)c1ccc(Cl)cc1F 96005940 KMNGOUIBCCELAL-AWEZNQCLSA-N 310.760 2.584 0 40 DFAB CCOC(=O)c1cccc(NC(=O)c2cc(C)nn2CC)c1 72068630 VNBDUMGMQITDPW-UHFFFAOYSA-N 301.346 2.640 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)NCCCCn1ccnc1C 76087236 YYWBBZWOJBBFIJ-HUUCEWRRSA-N 324.494 2.945 0 40 DFAB CN(C[C@@H]1CCCN1C(=O)c1cncc(F)c1)c1ccccc1 97014573 BFFFOYJARMKACV-KRWDZBQOSA-N 313.376 2.962 0 40 DFAB CC(C)n1c(SCCCN2CCCCC2)nnc1N(C)C 97165102 GZRUWBGZQYTHQY-UHFFFAOYSA-N 311.499 2.893 0 40 DFAB O=S(=O)(Cc1ccccc1F)Nc1cccc2[nH]cnc12 97140253 WNESTPHVLRQJBE-UHFFFAOYSA-N 305.334 2.644 0 40 DFAB COC(=O)CN(C(=O)c1ccc2cc[nH]c2c1)C1CCCC1 95417354 DKNQBXJWICGCGG-UHFFFAOYSA-N 300.358 2.726 0 40 DFAB CCn1cc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)cn1 28237524 WWXILJVYAUMSIE-UHFFFAOYSA-N 313.336 2.539 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1cncc(Br)c1 32322296 LDEBJWHBKRIOEO-UHFFFAOYSA-N 317.142 2.640 0 40 DFAB Fc1ccc(-c2cc(CN3CCCCC3)c3nnnn3c2)cc1 72392328 UDLUEDWRGHXHFX-UHFFFAOYSA-N 311.364 2.916 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(F)cc1 30132420 GCVCCZAKCMOBTB-GFCCVEGCSA-N 321.323 2.927 0 40 DFAB CCS(=O)(=O)c1ccccc1NCc1cccnc1N(C)C 225517368 FYMYGYSDAWNDJQ-UHFFFAOYSA-N 319.430 2.553 0 40 DFAB CCCNC(=S)Nc1ccc(Sc2ncccn2)nc1 223872277 AGLMQAHYSPTYFB-UHFFFAOYSA-N 305.432 2.719 0 40 DFAB CN(C)c1nccc(CNC(=O)c2ccc3ccccc3c2)n1 224235995 JMIBAFBIDVKRCG-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB COc1ccc(C)cc1CCNC(=O)NC1CCSCC1 195474646 JIEMOQZTYINZRM-UHFFFAOYSA-N 308.447 2.741 0 40 DFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 222883559 QQUQRPFEJZZDRC-GJZGRUSLSA-N 300.431 2.803 0 40 DFAB C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)c2cccnc2O1 195579187 AWJLNZYJTRLROG-CYBMUJFWSA-N 320.352 2.695 0 40 DFAB COc1cc(OC)c(NC(=O)c2cc(C(C)C)nn2C)cc1F 87400926 MNCHORBVRGVDBG-UHFFFAOYSA-N 321.352 2.952 0 40 DFAB O=C1[C@@H](NC2CCSCC2)CCCN1Cc1ccccc1 90918952 DAZCVRODQFMCIU-INIZCTEOSA-N 304.459 2.663 0 40 DFAB O=C(NC[C@H](O)C1CC1)Nc1ccc(OC2CCC2)c(F)c1 96452275 UFZCQTRDIREDBQ-AWEZNQCLSA-N 308.353 2.649 0 40 DFAB O=S1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 96451990 PGTGOOMAMJSOMA-UHFFFAOYSA-N 305.365 2.702 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(F)cc1 96181890 BMJSYAHYWSOLNG-DOTOQJQBSA-N 318.392 2.794 0 40 DFAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnc[nH]3)cc2)n1 96449749 CYGCYVYWQIUJMR-CYBMUJFWSA-N 309.373 2.703 0 40 DFAB Cc1ccc(CC(=O)N2CCO[C@H](CCc3ccccc3)C2)cn1 97374332 CFEFSNLGLLNDJD-LJQANCHMSA-N 324.424 2.793 0 40 DFAB Cc1c[nH]/c(=N/C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)[nH]1 96500279 RHSRSPIIMXDQQG-UHFFFAOYSA-N 320.324 2.794 0 40 DFAB CN(C)C1CCN(c2ccc(C=O)c(Br)c2)CC1 95081080 XAMMJORTMLFBQG-UHFFFAOYSA-N 311.223 2.792 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nccs1 96118281 SAYARPKNQDYXGY-UHFFFAOYSA-N 314.370 2.695 0 40 DFAB C[C@H](NC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1 96444846 OVMIYYMVIZUDMJ-ZDUSSCGKSA-N 306.369 2.973 0 40 DFAB c1ccc(CN2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)nc1 257269026 MOGHSWNJDGEWLF-GPMSIDNRSA-N 308.429 2.962 0 40 DFAB Cn1cncc1CN1CCC[C@@H](Cc2nccn3cccc23)CC1 257236851 HEAQEVAYVKZSLZ-MRXNPFEDSA-N 323.444 2.913 0 40 DFAB Cc1ccccc1OCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C 257219324 DGKBYUCGOXGKQE-HKUYNNGSSA-N 316.445 2.849 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1 88436144 MMNVVTWAJOMDAA-UHFFFAOYSA-N 301.264 2.799 0 40 DFAB CN=[S@](C)(=O)CCNC(=O)Nc1ccccc1C(F)(F)F 585140059 PSBHKOJOZRQASJ-OAQYLSRUSA-N 323.340 2.555 0 40 DFAB Cn1ccnc1[C@@H](NCc1c(F)cccc1F)C(C)(C)CO 585142056 NVFIDPOKWMMTCO-CQSZACIVSA-N 309.360 2.548 0 40 DFAB CC[C@H](C)N1C[C@@]2(CCCN(Cc3cnc(C)s3)C2)C1=O 585099513 PKQXHZJIFBAULM-LRDDRELGSA-N 307.463 2.674 0 40 DFAB CCc1nnc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)s1 43346093 IQHGICPGLATTHU-UHFFFAOYSA-N 311.455 2.531 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccccc2F)ccc1C(=O)O 44750164 PINMEUOMRKQBKA-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1cc(CN(C)C(=O)NCCO[C@H]2CCCC[C@@H]2C)no1 44970393 JFPKUOSTUKZMDR-WFASDCNBSA-N 309.410 2.720 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)OC[C@@H]1C 45525235 IMLWOHYUMKMZGT-WDEREUQCSA-N 302.349 2.932 0 40 DFAB Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)c(C)n1C(C)C 54691931 BMKFYLUYPCRWEP-INIZCTEOSA-N 313.401 2.642 0 40 DFAB C[C@@H](CNC(=O)Nc1cnn(-c2ccccc2)c1)Cn1cccn1 75145666 JCAVDUKHYKJOHF-AWEZNQCLSA-N 324.388 2.527 0 40 DFAB O=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccsc2)C1 89780619 CMCLREJHIMQTMA-HNNXBMFYSA-N 303.383 2.596 0 40 DFAB O=C(Cn1cc(Cl)cn1)Nc1ccccc1Br 77956495 ABVSQMMXBQRILP-UHFFFAOYSA-N 314.570 2.938 0 40 DFAB O=S(=O)(c1ccc(Br)cc1F)C(F)(F)F 218104747 YSSZDMPAUIKCLF-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB O[C@H](c1ccc(I)cc1)C(F)(F)F 112928241 KDKUKDSHXPQFMG-SSDOTTSWSA-N 302.033 2.887 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(O)(c2ccccn2)CC1 12117453 WBMHYHBRHHDYRR-XHSDSOJGSA-N 314.429 2.718 0 40 DFAB CCCc1cc(CNC(=O)c2cnc(C(C)(C)C)nc2)on1 12192608 BUDPWSAMVKDJBK-UHFFFAOYSA-N 302.378 2.645 0 40 DFAB Cc1ccc(C(C)C)cc1OCC(=O)NCCCn1ccnc1 12633797 BQDWDTAMAIPULE-UHFFFAOYSA-N 315.417 2.900 0 40 DFAB O=C(NC(=S)NNc1ccccc1)c1ccc(Cl)cc1 14257567 WPOCQEHLQVATDC-UHFFFAOYSA-N 305.790 2.971 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 204362779 WAEKDKQOFBMYSD-HNNXBMFYSA-N 306.406 2.712 0 40 DFAB Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 5679410 WMPPDKRVDVTZDD-ZDUSSCGKSA-N 313.353 2.909 0 40 DFAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](c2cccs2)C1 825679698 MYQYKFDKEBXTFM-VIFPVBQESA-N 313.366 2.820 0 40 DFAB Cc1cnc(OC[C@@H]2CCCN(Cc3c(C)noc3C)C2)nc1 1776000872 NXQZRTPBUJQLIO-OAHLLOKOSA-N 316.405 2.681 0 40 DFAB Cc1cc(OC[C@H]2CCCN(Cc3cnoc3C)C2)ccn1 1776000538 PMTZMHHCEKSJJX-HNNXBMFYSA-N 301.390 2.977 0 40 DFAB Cc1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)no1 38584364 MDBKOJAVDXBSGZ-UHFFFAOYSA-N 319.430 2.687 0 40 DFAB O=C(O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccco1 4717917 SQUSPJDGUIRXOA-GFCCVEGCSA-N 307.733 2.808 0 40 DFAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCCC1 5195350 NUBUTTUVCSSANT-ZDUSSCGKSA-N 321.808 2.641 0 40 DFAB Cn1c(=O)c2ccccc2n2c(-c3ccc(Cl)cc3)nnc12 9264119 IHJOFBUONHHMIC-UHFFFAOYSA-N 310.744 2.902 0 40 DFAB O=C1CN(C(=O)c2nc3ccccc3s2)c2ccccc2N1 12234823 YRGCIPDPMLBVNU-UHFFFAOYSA-N 309.350 2.895 0 40 DFAB CCOc1ccc(CC(=O)NC[C@@H](OC)c2ccco2)cc1 206860020 CDRNPJCGMWLQQW-MRXNPFEDSA-N 303.358 2.725 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)C1=C(COC1=O)N2 20086457 LTKBMKZKIUBDAU-GFCCVEGCSA-N 301.733 2.740 0 40 DFAB OC1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 15173034 BWCBQQZFBYLEPX-UHFFFAOYSA-N 306.369 2.653 0 40 DFAB COc1cccc(OC)c1-c1[nH]c(C=O)nc1Br 1857794844 MVKYEFTWNWCLNA-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB COCCOC(=O)c1nccnc1-c1nc2ccccc2s1 11006419 QALFFDMWWWGVTC-UHFFFAOYSA-N 315.354 2.557 0 40 DFAB CCC1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 356176 MFRYRYHLQCZZMS-ZDUSSCGKSA-N 300.280 2.858 0 40 DFAB CN(C)C(=O)CC1(CC(=O)Nc2ccccc2O)CCCC1 2432702 LGZLPIQRMMLMBT-UHFFFAOYSA-N 304.390 2.760 0 40 DFAB CCc1cccc(CC)c1NC(=O)NC1CCN(C(C)=O)CC1 40526340 CDRANNXKYFMSBW-UHFFFAOYSA-N 317.433 2.944 0 40 DFAB COCC(=O)Nc1cccc(CNCc2ccc(F)cc2F)c1 45822710 JPHCDMDTRABGDT-UHFFFAOYSA-N 320.339 2.840 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CSc2ccccn2)c1 4835301 NXBVQBMVOWRHHO-UHFFFAOYSA-N 316.382 2.907 0 40 DFAB Fc1ccc(NC(=S)NC[C@@H]2COc3ccccc3O2)cc1 7642800 XUBYKGBXWMTDNL-CYBMUJFWSA-N 318.373 2.952 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccc(O)cc2)[C@H]1c1ccccc1 20722951 LNBCWBZZQJTRDV-DOTOQJQBSA-N 310.353 2.550 0 40 DFAB COc1ccccc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 363812 BIKMAFASFJJJQF-UHFFFAOYSA-N 313.309 2.879 0 40 DFAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(N)c2)C1 100007132 SBJAAFMZXQXSCV-CJNGLKHVSA-N 308.447 2.858 0 40 DFAB CC(C)c1ccc(C(=O)NN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101709343 NVQVSCUMNRLGGC-GASCZTMLSA-N 314.385 2.630 0 40 DFAB O=C(CCn1cncn1)NC1c2ccccc2Oc2ccccc21 69618147 RQWGEIGKYKASPB-UHFFFAOYSA-N 320.352 2.680 0 40 DFAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)o1 60346152 VSJDFQZVRGZSKZ-INIZCTEOSA-N 302.305 2.694 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N(C)CCCOc2ccccc2)on1 29854989 OQIXDAVDMZCXSF-AWEZNQCLSA-N 317.389 2.711 0 40 DFAB COCCNC(=O)c1ccccc1NC(=O)c1sccc1C 32900738 ZVNZNVRMXXKJFH-UHFFFAOYSA-N 318.398 2.685 0 40 DFAB CC[C@@H](NC(=O)Cn1cccn1)C12CC3CC(CC(C3)C1)C2 58403050 ATTWNKXTXUJOOG-QFQXCOSMSA-N 301.434 2.994 0 40 DFAB C[C@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)CCC(=O)N2 46986901 DCSSSHJQNSLWLB-NSHDSACASA-N 310.357 2.849 0 40 DFAB CC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccccc1 22426269 AKZASVHCCYZNCJ-MRXNPFEDSA-N 300.406 2.959 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc(-n3cccn3)nc2)c1 3052305 BLJSCFDMIUARLV-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)NCc1ccc(Cl)cc1 27931663 DDNZTJBFSWHTQU-NSHDSACASA-N 302.827 2.549 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 47947533 HPSVQOCBYCKIBV-LLVKDONJSA-N 307.350 2.508 0 40 DFAB COc1cccc(Nc2nc(Cl)nc(N3CCCC3)n2)c1 26439307 MNSVZEOOPJACGK-UHFFFAOYSA-N 305.769 2.877 0 40 DFAB Cc1ccc(F)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 25803730 SBDRQFZCDWVHPE-UHFFFAOYSA-N 312.300 2.612 0 40 DFAB COc1ccc2nc(C(=O)Nc3ccc(OC)nc3)ccc2c1 26068144 UPLZZIICCNXSPW-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB COc1ccc(CNc2cc(C(F)(F)F)nc3ncnn23)cc1 35314621 LEHSAFRNZKEKJD-UHFFFAOYSA-N 323.278 2.764 0 40 DFAB CC(C)c1nc(CNCCc2nnc3n2CCCCC3)cs1 67698186 FAQKZUSXJJGDKJ-UHFFFAOYSA-N 319.478 2.917 0 40 DFAB CO[C@@H]1CCC[C@H](OC(=O)[C@H](C)NC(=O)CC2CCCC2)C1 108074688 IAIJJZZVRSXFAG-CFVMTHIKSA-N 311.422 2.572 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3315658 HGJYPWYNCFAWKR-BBRMVZONSA-N 318.417 2.604 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10029977 KYXKLGQUNRTCKX-UHFFFAOYSA-N 324.380 2.979 0 40 DFAB CCOC(=O)c1sc2ncnc(N[C@@H](C)COC)c2c1C 10028101 RXZAXJYNZGTTJM-QMMMGPOBSA-N 309.391 2.623 0 40 DFAB COC(=O)c1cc2ccccc2cc1NC(=O)c1cnccn1 44757583 SQUIWDWQBXCKFK-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCCCc2ccccc21 58265574 PQKDGGGHAXRKDO-BBRMVZONSA-N 323.458 2.782 0 40 DFAB CC(=O)c1ccccc1NC(=O)COc1ncnc2ccccc12 3317887 CLIIENOMCHFGGD-UHFFFAOYSA-N 321.336 2.850 0 40 DFAB Cc1cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 44907456 BTZTXYIHYXURQQ-LBPRGKRZSA-N 308.403 2.580 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)CCn2ccc3ccccc32)C1 58313497 LWYIBOKYNSARNA-MRXNPFEDSA-N 313.445 2.878 0 40 DFAB C[C@H](CCc1ccccc1)CC(=O)N(C)CC(=O)N1CCCC1 58344756 WMPIUZOBRIDEQG-MRXNPFEDSA-N 316.445 2.726 0 40 DFAB Cc1cc(C)nc(-n2nc(C)c3c(C(=O)O)cc(C4CC4)nc32)n1 48326426 XILPSPUITUCKDN-UHFFFAOYSA-N 323.356 2.711 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1O 3510708 MHNWHFYIKQUJJM-LLVKDONJSA-N 315.325 2.585 0 40 DFAB O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1c1ccc(F)cc1 13036958 OQMPWVKIHFJCEZ-GFCCVEGCSA-N 324.315 2.791 0 40 DFAB C[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl 69048021 KOCOVNFPZHHPOX-JTQLQIEISA-N 315.822 2.758 0 40 DFAB O=C(NC1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 8189255 YHLYWIAEFMFFRQ-UHFFFAOYSA-N 303.280 2.619 0 40 DFAB COc1ccc(NC(=O)COc2ccccc2NC(C)=O)cc1 6064161 ZKUCAHOMHQIRRA-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB CCN1CCN(C2CCN(CCCc3ccccc3)CC2)C1=O 69512855 HWCYALUTZYWJMZ-UHFFFAOYSA-N 315.461 2.841 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCC(C2OCCO2)CC1 69200552 VDJZDHZJUCYZOX-UHFFFAOYSA-N 310.781 2.957 0 40 DFAB CC1=NN(c2nc(-c3ccccc3)no2)[C@](O)(C(F)(F)F)C1 6263570 LSKINQRRIFMSBC-GFCCVEGCSA-N 312.251 2.574 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1[nH]c2ccc(OC)cc2c1C 5347833 LZYOCZCKKFPDJP-CYBMUJFWSA-N 315.417 2.699 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@H](O)c1ccc(Cl)cc1 65592608 BUIQPZWKYRLARC-AWEZNQCLSA-N 301.729 2.670 0 40 DFAB Cc1noc(C)c1C(=O)Nc1nnc(Cc2ccccc2)s1 5549423 DBFMSYORGJZQBJ-UHFFFAOYSA-N 314.370 2.986 0 40 DFAB CC(C)c1ccc(CNCCCSc2nnnn2C)cc1 4993844 JYLZQBAKHPONMY-UHFFFAOYSA-N 305.451 2.606 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](n2ccnc2)C1 69660242 OJDFLDHEUCKRMG-CYBMUJFWSA-N 302.378 2.780 0 40 DFAB CCCCNC(=O)Nc1cccc2c1CCCN2C(=O)COC 69817066 KNEFENMEQNONCP-UHFFFAOYSA-N 319.405 2.534 0 40 DFAB CC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)on1 70773394 NNMWSKDSEXPKPL-OLZOCXBDSA-N 324.446 2.925 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1 71820100 XMONHBHHRWDAKE-OAHLLOKOSA-N 311.385 2.718 0 40 DFAB O=C(NCc1nccn1CCc1ccccc1)NCC1CCC1 83644135 BIJDZVVHQNNPQR-UHFFFAOYSA-N 312.417 2.725 0 40 DFAB C[C@H](CCO)NC(=O)NCCCO[C@H]1CCCc2ccccc21 89895593 NXHYJCRKKTYMQI-PBHICJAKSA-N 320.433 2.541 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)NCC2CCSCC2)c1 71904754 ZPIKDEMJCDFZGB-UHFFFAOYSA-N 321.446 2.587 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1F)NC1CCCCC1 71913559 GFOQRZXISOTDCG-NRFANRHFSA-N 312.410 2.565 0 40 DFAB Cn1ccnc1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84068306 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CCc1noc([C@@H](C)N2CCC[C@H](c3nncn3C(C)C)C2)n1 89290032 QMKLZSAAWKJBLG-OLZOCXBDSA-N 318.425 2.745 0 40 DFAB CN(CC1CC1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12 89340192 PKHARYBRHINYFP-ZDUSSCGKSA-N 316.430 2.529 0 40 DFAB Fc1nccc(Br)c1I 67173948 QNCJOPUYVGQTNE-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB CS[C@H]1c2c(cc(=O)[nH]c2-c2ccc(C)cc2)C(=O)N1C 62716498 SETLCKSLYXVBDH-INIZCTEOSA-N 300.383 2.798 0 40 DFAB CC(C)(C)CC(=O)N1C[C@H]2C(CNC(=O)C3CCCCC3)[C@@H]2C1 1008714579 IBZJRSSVODMMHZ-HOTGVXAUSA-N 320.477 2.824 0 40 DFAB COc1ccc(-c2nn3c(C(C)C)nnc3s2)c(OC)c1 32094787 YFEFPXITRCVBAB-UHFFFAOYSA-N 304.375 2.993 0 40 DFAB COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)NC2=S)cc1 4614542 JTNCDKNSZQZFBG-OAHLLOKOSA-N 312.394 2.528 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4ccccc4)oc3c2)C1 70461279 AKOAKGSDNFCDFK-GFCCVEGCSA-N 322.320 2.932 0 40 DFAB O=C(NC1CCN(Cc2ccccc2F)CC1)C(F)(F)Cl 195570565 CSOFPFFPBIVEEN-UHFFFAOYSA-N 320.742 2.738 0 40 DFAB O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCOCC1 225258257 DRJUCFODYQXFQW-UHFFFAOYSA-N 307.353 2.702 0 40 DFAB CCc1ccccc1NC(=O)NCc1cc(C)nc(N(C)C)n1 191631361 REDAVZFRRIBBEN-UHFFFAOYSA-N 313.405 2.735 0 40 DFAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC(Cc2ccccc2)CC1 225508451 FTNNMMQWILVJAV-QGZVFWFLSA-N 323.440 2.996 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 45715660 ZLGWTWDMPQSZBK-IIAWOOMASA-N 300.402 2.734 0 40 DFAB CC(C)(C(=O)NC1CCC(C(=O)O)CC1)c1ccc(F)cc1 195542018 QAKWHWXIMNWDQY-UHFFFAOYSA-N 307.365 2.863 0 40 DFAB C[C@@H](CN1CCN(CCN2CCCC2)CC1)c1ccc(F)cc1 195572803 WWUKWJXTYSWKRU-KRWDZBQOSA-N 319.468 2.643 0 40 DFAB CC[C@@]1(C)CN(C(=O)N[C@H](C)Cc2ccc(O)cc2)CCO1 190383990 GQNZZLIDTYEIQU-DYVFJYSZSA-N 306.406 2.534 0 40 DFAB CC[C@@H]1OC[C@H]2CN(C(=O)Cc3ccc(F)cc3OC)CC[C@@H]12 96216316 WWDYGWXDMUVZOI-BMFZPTHFSA-N 321.392 2.650 0 40 DFAB c1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccn2)C3)cc1 96269375 VYJAKUAPPAMQMS-KRWDZBQOSA-N 320.396 2.634 0 40 DFAB biogenic,in-vitro O=C(c1cccnc1)N1CC[C@@H](OCCCc2ccccc2)C1 96456470 JGEVMVIRISRXEH-GOSISDBHSA-N 310.397 2.946 0 40 DFAB CO[C@@H](C(=O)Nc1cccnc1-n1ccnc1C)c1ccccc1 97236794 NSSUDGWDTSBFEM-MRXNPFEDSA-N 322.368 2.902 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(C)cc1 96518639 SLPQVFDMZVCZBL-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NC[C@@](C)(O)c1cnn(C)c1 95423106 RBJPMZVNXMESGK-MEDUHNTESA-N 323.824 2.640 0 40 DFAB C[C@H]1C[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@H]2O1 96043636 VVUBQSZBQUMFMT-COPLHBTASA-N 319.792 2.627 0 40 DFAB O=C(c1ccccc1)c1ccc(CNS(=O)(=O)C2CC2)s1 96119876 ZSBJIBLLCGNWDT-UHFFFAOYSA-N 321.423 2.561 0 40 DFAB CCN(CC)C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188277 ZOYYCJOQAFEBGU-MRXNPFEDSA-N 318.490 2.918 0 40 DFAB CC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ncccn34)n2)C1 257285178 PFYYUSBYKGPXQO-CQSZACIVSA-N 321.384 2.517 0 40 DFAB Cc1ccc2cc(CN[C@H](CO)Cc3ccccc3)c(O)nc2c1 585294427 RDUIFCLBRLNXCR-SFHVURJKSA-N 322.408 2.942 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 43545238 JNNOCOXOWIPRCG-NEPJUHHUSA-N 318.398 2.567 0 40 DFAB Cc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1C 82463032 RUKGEVPUSIQSHR-UHFFFAOYSA-N 300.358 2.881 0 40 DFAB C[C@@H](CCc1cccc(F)c1)N1CCC(N2CCNC2=O)CC1 97370755 KNPBJMIXPMRYFI-AWEZNQCLSA-N 319.424 2.636 0 40 DFAB CC(C)(O)CCOc1ccccc1S(=O)(=O)C(F)(F)F 84325914 HGSWHMZKQGYHET-UHFFFAOYSA-N 312.309 2.520 0 40 DFAB Cn1cc(C(=O)OCc2cc3ccccc3nc2Cl)cn1 12852011 FSFXDUQHHFPEBX-UHFFFAOYSA-N 301.733 2.979 0 40 DFAB O=Cc1ccc(OCCOCCOc2ccc(C=O)cc2)cc1 15776249 JAIPDYDZPPCMBT-UHFFFAOYSA-N 314.337 2.786 0 40 DFAB CC1(C)CC(=O)c2cc3c(=O)n(-c4ccccc4)[nH]c3nc2C1 18195399 CRDZWPODISEEHJ-UHFFFAOYSA-N 307.353 2.869 0 40 DFAB O=C(C1CC1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19294025 YLBQLHWYRBEJHK-UHFFFAOYSA-N 301.321 2.852 0 40 DFAB CC(=O)Oc1cs/c(=N\c2cccc(C)c2C)n1C(C)=O 5375687 RJPICNGUTJEYML-NXVVXOECSA-N 304.371 2.984 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 102049428 HOBDTJGTMRMKJF-RKTXRCNFSA-N 300.402 2.583 0 40 DFAB c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccc4c(c3)CCO4)C2)nc1 1889128416 FYUFTGLZSIVNDI-QZTJIDSGSA-N 321.424 2.727 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2cc[nH]n2)C1 1848352378 LYAHMZPKTZXFAM-CYBMUJFWSA-N 308.385 2.986 0 40 DFAB O=C(NCCOc1ccccc1)c1ccnc(OCC2CC2)c1 244975090 IAWJQQGYRBTKMS-UHFFFAOYSA-N 312.369 2.679 0 40 DFAB O=C(NC[C@@]1(O)CSCc2ccccc21)[C@H]1CC=CCC1 2087122783 IUQKQEOAJFWAQZ-SUMWQHHRSA-N 303.427 2.594 0 40 DFAB O=C(NCCCc1ccccc1)N1CC(Oc2nccs2)C1 208032523 KMIWIGOKOFPMSF-UHFFFAOYSA-N 317.414 2.549 0 40 DFAB O=C(c1ccccc1O)N1CCO[C@H](c2ccc(F)cc2)C1 31176738 SINJORAWFSOFHA-INIZCTEOSA-N 301.317 2.745 0 40 DFAB C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cc(Cl)ccc1N(C)C 67270708 XWWZCTCPQDHDFI-SNVBAGLBSA-N 323.824 2.649 0 40 DFAB CN1C(=O)N(C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 1585740 QXZCDNXCMIGEJL-UHFFFAOYSA-N 324.384 2.938 0 40 DFAB Cc1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 40526568 FVTNNZCXVIYVPK-UHFFFAOYSA-N 318.398 2.720 0 40 DFAB Cc1cccnc1NC(=O)COC(=O)c1cccc(Cl)c1 6969406 SFNYHBIPDWJGEA-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1 351968 LDRTUFKOZGMDNZ-UHFFFAOYSA-N 310.382 2.852 0 40 DFAB Cc1cc(N)nc(S[C@H](C)C(=O)N(C)C2CCCCC2)n1 69808271 BHBNJXGWMQZMHU-LLVKDONJSA-N 308.451 2.639 0 40 DFAB COc1cc(OC)cc(OCC(=O)NCc2ccccc2C)c1 24036537 SBUMISWKFPAGTK-UHFFFAOYSA-N 315.369 2.707 0 40 DFAB COCCCNC(=S)Nc1ccc(CN2CCCCC2)cc1 2782457 DRMYUSCIMDMEKI-UHFFFAOYSA-N 321.490 2.995 0 40 DFAB C[C@H](C(=O)NCc1ccc(Oc2ccccc2)cc1)n1cncn1 69437533 ANMZNPLXZIEJJJ-CQSZACIVSA-N 322.368 2.948 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 822782 LQMPVIXBGWSCNT-UHFFFAOYSA-N 311.385 2.996 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@H]1c1ccccc1 57355440 MMGKWLVMRNRLOY-DOTOQJQBSA-N 312.369 2.506 0 40 DFAB O=C(CCNC(=O)c1cc2ccccc2o1)Nc1nccs1 12389373 NZQMLFRUQWXWPT-UHFFFAOYSA-N 315.354 2.648 0 40 DFAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 23624426 UBPWHLPGNVHZLL-VIFPVBQESA-N 303.189 2.653 0 40 DFAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2nccs2)CC1 23904157 GKNBYUQIZQSDRO-NSHDSACASA-N 321.450 2.707 0 40 DFAB Cc1cc(COC(=O)c2cccc(NC(=O)C3CC3)c2)on1 24419088 AHMRPGFXKJSVGX-UHFFFAOYSA-N 300.314 2.689 0 40 DFAB Cc1csc([C@@](O)(CC(=O)NC2CCCC2)C(F)(F)F)n1 67704511 YXHSRBKZRJZWEK-LBPRGKRZSA-N 322.352 2.650 0 40 DFAB CC(=O)c1cc2c(cc1N[C@H]1OC(=O)c3ccccc31)OCO2 1425602 UUYUTTBRSAFQCV-INIZCTEOSA-N 311.293 2.899 0 40 DFAB Cc1noc([C@H]2CCCN(C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 106865136 ZYOFLZGKPLBRQS-XUXIUFHCSA-N 320.462 2.621 0 40 DFAB FC(F)(F)c1cc([C@@H]2CCCN(C[C@H]3CCOC3)C2)n[nH]1 107143077 LUEVLPFBXRFDMK-GHMZBOCLSA-N 303.328 2.644 0 40 DFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccccc1 107150288 JBJJIQMICZHVNR-UGSOOPFHSA-N 308.381 2.842 0 40 DFAB CC(=O)c1ccc(OC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 7401401 WQKMZRLSTTUVNL-IBGZPJMESA-N 324.332 2.966 0 40 DFAB Cc1ccc(=O)n([C@@H](C)C(=O)Nc2cccc3ccccc23)n1 44394983 RDWAQNKKEFCEJC-ZDUSSCGKSA-N 307.353 2.905 0 40 DFAB CC(C)c1cccc(NC(=O)CSc2nnnn2C2CC2)c1 27545926 QQMJTLLYARYCAF-UHFFFAOYSA-N 317.418 2.862 0 40 DFAB COc1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1 10222077 CPQGVVQNHVTPFT-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(=O)n(C)c2)c1 58282093 DMOLYOOQXZFOST-ZDUSSCGKSA-N 314.385 2.915 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@H](c2nccs2)C1 171643415 VEXSTTMTKSABJU-LBPRGKRZSA-N 317.414 2.957 0 40 DFAB CN(CCNC(=O)c1cnc(-c2ccccc2)s1)C1CC1 65403799 UKGIZTJAOQRSJG-UHFFFAOYSA-N 301.415 2.634 0 40 DFAB CC(=O)N[C@@H](C(=O)N(C)Cc1cccc2ccccc12)C(C)C 45186883 FJOJYUPOMULUAD-GOSISDBHSA-N 312.413 2.959 0 40 DFAB Cc1cnc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)s1 12987004 NKUQBMYBWIYMJZ-UHFFFAOYSA-N 319.386 2.535 0 40 DFAB O=C(O)[C@@]1(Cc2ccc(Br)cc2F)CCCNC1 62851551 WUPLRINFYBLURS-CYBMUJFWSA-N 316.170 2.585 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 13170361 BKLLIDZDDKOFSR-SNVBAGLBSA-N 316.184 2.859 0 40 DFAB CN(Cc1ccc(Br)o1)C(=O)Cc1cccc(O)c1 69530747 VZJNATNLWJGBMZ-UHFFFAOYSA-N 324.174 2.949 0 40 DFAB COc1ccccc1CNC(=O)[C@H](C)N(C)Cc1ccc(C)o1 16377648 RGVRLCPMUKJKFX-AWEZNQCLSA-N 316.401 2.733 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1F 5076745 QTYOZDMBVKFOKH-JTQLQIEISA-N 303.289 2.715 0 40 DFAB Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91777171 LQNTYMVZNBJOPE-CZUORRHYSA-N 318.323 2.616 0 40 DFAB CCc1ccccc1NC(=O)CSc1nnc(CC)n1C 13992195 JXRGEENWHGFWSG-UHFFFAOYSA-N 304.419 2.671 0 40 DFAB O=C1N/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1F 4472424 GIJPJWAHSDMELM-OQLLNIDSSA-N 312.300 2.624 0 40 DFAB NC(=O)N[C@@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 14263709 XXPDKQWJAOAKLB-AWEZNQCLSA-N 319.311 2.703 0 40 DFAB O=C(OCC(=O)N1CCCC1)c1c(Cl)cccc1Cl 5505857 RIUCFHRDEBUWMW-UHFFFAOYSA-N 302.157 2.773 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2F)c1 15005063 GDCLROTXZCDWEK-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB CCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1 8739454 JEKMQQJXACTRKL-UHFFFAOYSA-N 320.370 2.889 0 40 DFAB O=C(O)c1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 20495934 VIEGAYFUAWMVRO-UHFFFAOYSA-N 309.281 2.687 0 40 DFAB O=C(Cn1cncn1)NCc1ccccc1Sc1ccccc1 71884515 SMNUUVNPLICEHG-UHFFFAOYSA-N 324.409 2.746 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(NC(C)=O)ccc1F 71853944 JHRCKRGJFOHHPT-ZDUSSCGKSA-N 323.368 2.817 0 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CCC[C@@](C)(CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1 96472949 GIQJPLBQNPZKMO-SFHVURJKSA-N 304.434 2.998 0 40 DFAB COc1cc(C(=O)Cc2ccc(OC)c(OC)c2)c(O)cc1O 94993479 VQLDIRPBULVULA-UHFFFAOYSA-N 318.325 2.549 0 40 DFAB Cc1noc(NC(=O)c2ccnc(OC3CCCCC3)c2)n1 91171230 UJNTVCKBVCLLPW-UHFFFAOYSA-N 302.334 2.737 0 40 DFAB Cc1cscc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 96461217 XCTMLMCFAYOMAL-KBPBESRZSA-N 310.463 2.676 0 40 DFAB CCCN1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12 96263411 NOUVRAYIIJLNFL-UHFFFAOYSA-N 310.445 2.854 0 40 DFAB CCOC(=O)c1cnc2c(cnn2C)c1N1Cc2ccccc2C1 96503237 FEWUJQSVTOESQZ-UHFFFAOYSA-N 322.368 2.665 0 40 DFAB CC[C@@H](CNC(=O)N1CCC[C@H](CO)C1)Oc1ccccc1C 96455246 UKAVVJHRHWJLHM-HOTGVXAUSA-N 320.433 2.566 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2c2cnccn2)cc1F 257250015 JKQRVZNHTWYEOP-AWEZNQCLSA-N 301.321 2.602 0 40 DFAB Cc1ccc(S(=O)(=O)NCCCc2cnoc2)cc1Cl 253400562 LJMCHWXWXJHPEE-UHFFFAOYSA-N 314.794 2.548 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)COc3ccccc3Cl)C2)n1 257294500 QULFBMQQQYPTCX-LBPRGKRZSA-N 319.792 2.766 0 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303.383 2.558 0 40 DFAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1F 13169827 PMCSKJKMSLVSRW-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB CC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)O)c1 13409351 CXQZAFNTFIFNOG-UHFFFAOYSA-N 313.309 2.605 0 40 DFAB COc1ccc(CN(Cc2ccoc2)C[C@H](C)O)cc1OC 13991773 NHSWTXGACDVHOK-ZDUSSCGKSA-N 305.374 2.680 0 40 DFAB Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2C)n1 18102301 HOBVDUXFQRHGBG-LLVKDONJSA-N 303.387 2.506 0 40 DFAB O=C(C1CCOCC1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19346876 ZFRBUZUSLKRCFB-OAHLLOKOSA-N 313.401 2.696 0 40 DFAB COc1cccc(OCCCn2cncc2-c2cnn(C)c2)c1 19719492 KWGZRVGFSVBZGB-UHFFFAOYSA-N 312.373 2.761 0 40 DFAB O=C(Cn1cccn1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206671450 WTYPDYFSRQZRHE-OAHLLOKOSA-N 301.365 2.819 0 40 DFAB CC(C)(C)c1ccc(CS(=O)(=O)C[C@H](O)C(F)(F)F)cc1 158598932 IDJFLUIRQAKLHX-LBPRGKRZSA-N 324.364 2.822 0 40 DFAB Cn1cccc1/C=C1\SC(=O)N(c2cccc(O)c2)C1=O 5376194 JBVDNIOHXNECSG-LCYFTJDESA-N 300.339 2.972 0 40 DFAB O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cn2c(n1)CCC2 572962139 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41381238 DUDIHYWBEVVYJF-PBHICJAKSA-N 314.429 2.975 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CSc1cccc[n+]1[O-] 2656800 GYDDEICAKGSKEI-UHFFFAOYSA-N 324.789 2.713 0 40 DFAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2cnnc12)CCC3 509408 VPDXMCGSKGFKQX-UHFFFAOYSA-N 322.393 2.892 0 40 DFAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)O 33456871 ZRBRJQWYEUNDBP-AWEZNQCLSA-N 318.398 2.578 0 40 DFAB CC(C)c1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 41869318 QIKYYSUQNDMVTD-GOSISDBHSA-N 318.461 2.897 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 53525684 FBWZWWREAIIUTF-CHWSQXEVSA-N 323.331 2.748 0 40 DFAB COCc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1 92075638 LHAYUNUHHFVSMH-IBGZPJMESA-N 324.424 2.896 0 40 DFAB Cc1ccc(Cl)c(NC(=O)CN2CCO[C@@H](C)C2)c1Cl 24014581 FQIDSDQTOVOJMB-JTQLQIEISA-N 317.216 2.961 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2n[nH]c3ccccc23)C1 47416804 IXFWGBYYEIYLMP-KBPBESRZSA-N 314.433 2.661 0 40 DFAB CO[C@H](C(=O)NC[C@H]1CCCN(C(C)C)C1)c1ccccc1 106576814 SXURFYADUFNWTL-WBVHZDCISA-N 304.434 2.611 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 56018325 UBOAGZDYZGCOBV-HOTGVXAUSA-N 320.364 2.568 0 40 DFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)n1ccnc1 56482464 KUFJEQQTMQDGKQ-STQMWFEESA-N 314.389 2.611 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(-n2cccn2)cc1 26016002 ITMGJOQJYZIJJL-UHFFFAOYSA-N 324.336 2.799 0 40 DFAB CC(C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)n2)c1 21157388 HBAJVFQJPMGRAA-UHFFFAOYSA-N 323.356 2.744 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H]1CCCO1 27397358 KGUDGZFPJPCYJV-NSHDSACASA-N 306.387 2.549 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)N1CCc2ccccc21 3235028 XBTAYCWMMUMUPC-UHFFFAOYSA-N 301.367 2.803 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)NCc1ccccc1Cl 3263773 RUNWCRXMNGUHIT-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB CC(C)c1ccc(O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1 58228403 BIWJDMPTTJPSHM-UHFFFAOYSA-N 306.406 2.502 0 40 DFAB Cc1noc([C@H](C)NC(=O)CCOc2ccc(C)c(C)c2)n1 58343273 JRYQIWVENKZOAO-LBPRGKRZSA-N 303.362 2.641 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 58332053 POUKARZSUBQEPH-UONOGXRCSA-N 322.836 2.817 0 40 DFAB COc1c(C)cc(CN(C)c2cn[nH]c(=O)c2Cl)cc1C 58331524 LMWAWDAZQGZJKB-UHFFFAOYSA-N 307.781 2.685 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@H](O)c2ccc(F)cc2)s1 58407378 OCCOCZXABGKWEI-NSHDSACASA-N 324.381 2.656 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnn(C(C)(C)C)c1 48251178 AQOLIHCZNGDVNM-HIFRSBDPSA-N 307.438 2.963 0 40 DFAB CCc1nc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2o1 48382552 QMCMVMGYHWKMQO-NWDGAFQWSA-N 314.341 2.996 0 40 DFAB O=C(NC[C@H]1CCOC1)c1csc(-c2ccc(F)cc2)n1 48302247 YGJSJEBCSSOJSK-SNVBAGLBSA-N 306.362 2.716 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)c1cc(C)n(C)c1C 3441345 WYLAFXKWUCGHAH-UHFFFAOYSA-N 300.358 2.723 0 40 DFAB COc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cl 3615731 OEKYCBHPSRDVRP-UHFFFAOYSA-N 322.748 2.700 0 40 DFAB C[n+]1c2n(c(=O)c3c4c(sc31)C[C@H](C(C)(C)C)CC4)CCC2 7996790 USXXTNAQDFPESL-LLVKDONJSA-N 317.478 2.985 0 40 DFAB COc1ccc([C@@H]2c3c(noc3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 4311723 GLADHIRRYCIFRN-KZNAEPCWSA-N 315.369 2.636 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCCCC[C@@H]2c2cccn2C)n1 65401490 NTVWGWOXGSMSIS-QGZVFWFLSA-N 314.433 2.982 0 40 DFAB O=C(COc1ccc(F)cc1F)NC(=O)NC1CCCCC1 24048218 LZDMNRJWNVNDSQ-UHFFFAOYSA-N 312.316 2.502 0 40 DFAB Cc1nnc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cn12 69581698 ZQSROEFIXCAYFB-INIZCTEOSA-N 306.369 2.845 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)n1cncn1 69557753 ANVURHZYDKVPBB-ZIAGYGMSSA-N 308.385 2.740 0 40 DFAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC1CCCC1 14813972 NXSITDRLFVQZSH-UHFFFAOYSA-N 314.429 2.640 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)c1 4824653 CPEHNSLKLFXLME-UHFFFAOYSA-N 309.325 2.667 0 40 DFAB COC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 8583042 BCFJPRRBQGZVDS-ZDUSSCGKSA-N 311.389 2.879 0 40 DFAB COc1cc(C(=O)Nc2ccccc2)c(OC)c2c1OCO2 15085808 UNFMXSFBYLAGBF-UHFFFAOYSA-N 301.298 2.685 0 40 DFAB COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1ccco1 67101220 NFTGVHKQMXLTTB-UHFFFAOYSA-N 303.362 2.642 0 40 DFAB Cc1oc(C)c(C(=O)N2CCC(Nc3cccnn3)CC2)c1C 69660039 VDBYCSBZVCIBGN-UHFFFAOYSA-N 314.389 2.712 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)CCNC(=O)c1ccco1 15685403 CYGHDXMYZLUCHR-ZDUSSCGKSA-N 300.358 2.585 0 40 DFAB O=S(=O)(CCSC[C@@H](O)c1ccccc1)c1ccccc1 69739266 YJWQDAMVXBSLDA-MRXNPFEDSA-N 322.451 2.927 0 40 DFAB Cc1nc(N2CCN(C(=O)Nc3ccccn3)CC2)sc1C 89562545 ZZRVUCKWHZLMBP-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1 8943490 ISNXHFRTEAWQBV-UHFFFAOYSA-N 303.289 2.873 0 40 DFAB CCc1cnc(CN(C)C(=O)c2cnn(C(C)(C)C)c2)s1 82999473 VPYLCAKPWVNLGH-UHFFFAOYSA-N 306.435 2.929 0 40 DFAB COc1cc2c(cc1NS(=O)(=O)N(C)C)oc1ccccc12 83851282 NEWCYWQHUDGBLC-UHFFFAOYSA-N 320.370 2.813 0 40 DFAB CC1CCC(C(=O)N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 96000797 NJTFRSDZXUFHIU-RUXDESIVSA-N 321.421 2.919 0 40 DFAB Cc1[nH]c2ccc(C(=O)NCc3nnc4ccccn34)cc2c1C 9604547 DXYZFXGLLKFXJU-UHFFFAOYSA-N 319.368 2.757 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc(C)cn2)C12CCCC2 71920757 VNGANJGIPGCXNB-LSDHHAIUSA-N 303.406 2.595 0 40 DFAB O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCOC2)cc1 89787897 MXIILXKLWMKHHH-QGZVFWFLSA-N 314.360 2.957 0 40 DFAB COC[C@@H](C)C(=O)N1CCOc2ccc(C(F)(F)F)cc21 89901573 IBOGNVQHKXJWHZ-SECBINFHSA-N 303.280 2.713 0 40 DFAB CCCNC(=O)CNc1ncnc2sc3c(c12)CCCC3 9833793 DNVRWDJHOWLZFW-UHFFFAOYSA-N 304.419 2.508 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 72294594 GAEYTIBJBBFJDD-AEFFLSMTSA-N 318.461 2.828 0 40 DFAB O=C(Cc1cc(F)ccc1F)N[C@H]1CCCCC[C@@H]1C(=O)O 97018357 HFCFUVMMBUAYDK-JSGCOSHPSA-N 311.328 2.657 0 40 DFAB O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1ccc2[nH]ccc2c1 97018647 YLTPUTAAXNUASV-MRXNPFEDSA-N 322.364 2.841 0 40 DFAB Cc1ccc2c(c1)N(C(=O)c1cnc3c(c1)ncn3C)CCC2 97050589 LEICFTJNYOTKJP-UHFFFAOYSA-N 306.369 2.870 0 40 DFAB CN(C(=O)COC(=O)c1ccnc(Cl)c1)C1CCCCC1 72330803 FOAHXSLFMSDSEO-UHFFFAOYSA-N 310.781 2.683 0 40 DFAB Fc1cccc(Cl)c1CN1CCn2c(nnc2C2CC2)C1 84339055 BPICYAUTSRIOFO-UHFFFAOYSA-N 306.772 2.964 0 40 DFAB CN1CC[C@H](NC(=O)Nc2cccc(-c3ccsc3)c2)C1=O 95399548 GLEJRZJDBRHGAG-AWEZNQCLSA-N 315.398 2.767 0 40 DFAB CC[C@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O 95404293 YYKWXQJSVSUHGF-MRXNPFEDSA-N 316.401 2.815 0 40 DFAB COc1ccccc1C(C)(C)CNC(=O)c1ccncc1F 95400427 FKZOICZUKXOCRS-UHFFFAOYSA-N 302.349 2.937 0 40 DFAB C[C@@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2S1 79071175 DXUVLKNNLUARDJ-GFCCVEGCSA-N 304.415 2.526 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(Cl)c1 79021056 KUQHQFWTDWMZHU-UHFFFAOYSA-N 322.777 2.721 0 40 DFAB COc1c(F)cc(NC(=O)N2CCO[C@H](C(C)C)C2)cc1F 95994322 CVEAMQMLEAUQCL-ZDUSSCGKSA-N 314.332 2.862 0 40 DFAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnsn1 95954017 FGXRAJIYLQWIAS-UHFFFAOYSA-N 301.293 2.829 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](C)O[C@H](C)C1 35828037 OFQHJXSFOIKZMA-HBUWYVDXSA-N 317.429 2.969 0 40 DFAB CCc1cc(-c2nc(COc3ccc(F)cc3)no2)cc(=O)[nH]1 128800992 JLUHSHXCOCJJLK-UHFFFAOYSA-N 315.304 2.705 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)NCCc1ccccc1 31044068 WFMXFXFJVRNRBK-UHFFFAOYSA-N 308.385 2.947 0 40 DFAB O=C1C/C(=C/c2c[nH]c3ncccc23)C(=O)N1Cc1ccccc1 70666216 MPRZGHGXCLERQW-ZROIWOOFSA-N 317.348 2.905 0 40 DFAB biogenic CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2 78403661 BMSIMYLYOXWROI-UHFFFAOYSA-N 318.398 2.854 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCC2CCCC2)[C@H]1c1cccs1 72238111 PQPYFPMAOSLMIT-BBRMVZONSA-N 320.458 2.964 0 40 DFAB COC(=O)c1cnc([C@H](C)NC(=O)CSC(C)(C)C)s1 521395814 XASXIIIQDOLYGN-QMMMGPOBSA-N 316.448 2.639 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccc(Cl)cc2)n1 224187575 FLIJQIMXIPQCQE-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@H](C)CCO)ccc21 222539453 FKWQRRZOVBQFAP-SNVBAGLBSA-N 309.797 2.771 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2cnns2)CC1 192352668 HISTYGAUCKTOJD-SNVBAGLBSA-N 323.447 2.510 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1C 223973785 LFIQKBXFMLJMKC-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 96495697 RBRXQSDWSDGLMV-LBPRGKRZSA-N 322.796 2.727 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)CNC(=O)c2ccccc2)C1 96432370 UJWFKAUNYGHCRY-LSDHHAIUSA-N 320.458 2.549 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N[C@H]1CCN(C(C)C)C1=O 97095204 GFZZPBASZVQXHA-LBPRGKRZSA-N 309.797 2.779 0 40 DFAB C[C@H]1CN(C(=O)NCc2nccn2C)CC[C@H]1c1ccccc1 96440543 SJAMHWDPLODASE-GOEBONIOSA-N 312.417 2.755 0 40 DFAB O=C(Nc1cccc(CC(F)(F)F)c1)N1CCC[C@H]1CO 96427363 GJFLXLSOERFLJB-LBPRGKRZSA-N 302.296 2.780 0 40 DFAB Cc1cccc(CN2Cc3[nH]nc(COc4cccnc4)c3C2)n1 96260227 AYLYMQBAGPMUDO-UHFFFAOYSA-N 321.384 2.603 0 40 DFAB Cc1ccc([C@@H](CNC(=O)c2cc(C)cs2)OCCO)cc1 96337570 OEECUZUKEMUQEE-OAHLLOKOSA-N 319.426 2.845 0 40 DFAB CC(C)[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccncc1 96484569 RODZGOAFPWHLSI-JYJNAYRXSA-N 305.422 2.581 0 40 DFAB CCC(=O)N1CCc2cc([C@H](O)CN3CCCC[C@H]3C)ccc21 248068788 FOLIBANCCVPVAU-RDTXWAMCSA-N 316.445 2.894 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)n1 257298207 RKQOYZRMEKJDSX-GOSISDBHSA-N 324.428 2.824 0 40 DFAB CCCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCCCN3C)[nH]n1 257258286 KTEBQXVROZGECB-IAGOWNOFSA-N 318.465 2.841 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2ccc(F)cn2)nc(C)n1 257299504 RQIZUDUFUWXQSR-HNNXBMFYSA-N 301.369 2.698 0 40 DFAB COc1cccc(C(=O)N2CCC[C@H](c3ccnc(C)n3)C2)c1 257246586 IUTUODQEILCZNT-HNNXBMFYSA-N 311.385 2.813 0 40 DFAB c1ccc([C@H]2CN(Cc3cnn(C4CCCC4)c3)CCO2)nc1 257256322 KKZHYVFPZSULFN-GOSISDBHSA-N 312.417 2.967 0 40 DFAB COc1ccc(CN2CC[C@H](c3[nH]ncc3C)C2)c(OC)c1 257290659 QDVHRKLJNAIYET-AWEZNQCLSA-N 301.390 2.725 0 40 DFAB COC(=O)c1cc(F)cc(NC(=O)c2scnc2C)c1F 390833775 MVXIBRXBFIALQL-UHFFFAOYSA-N 312.297 2.769 0 40 DFAB O=C(c1ccc2nn[nH]c2c1)N1CCC[C@H]1CCc1ccncc1 585181335 NUXOWGHTQYZYQO-HNNXBMFYSA-N 321.384 2.590 0 40 DFAB COc1ccc(OC)c(CNC(=O)N2CCc3ccccc32)c1 43229455 OGNQVOGFUPIPTG-UHFFFAOYSA-N 312.369 2.976 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc2cn[nH]c12 44228188 IJXBFZZTAHIGPO-UHFFFAOYSA-N 323.352 2.954 0 40 DFAB CN(C)C(=O)CCN1CCC[C@@H]1c1nc2ccccc2s1 46502568 KDAUOYGXOLHXDE-CYBMUJFWSA-N 303.431 2.912 0 40 DFAB CCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)C(C)C 58291019 CEUDZRGDRBHVFB-UHFFFAOYSA-N 318.396 2.989 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H](C)c1ccccc1F 56106070 IKHWMGAPOIURMX-SNVBAGLBSA-N 312.366 2.812 0 40 DFAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 5555563 VWZGQTUVPPIHJC-INIZCTEOSA-N 317.410 2.811 0 40 DFAB O=C(O)Cc1csc(NC(=O)/C=C/c2ccc(F)cc2)n1 13406271 PYRHHMQOTADJLG-ZZXKWVIFSA-N 306.318 2.561 0 40 DFAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cccs1 14257790 STEWKNDLAMUNPR-UHFFFAOYSA-N 320.395 2.646 0 40 DFAB CC(=O)N1C[C@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888846829 XTBLGBISKVQNTG-GJZGRUSLSA-N 312.417 2.532 0 40 DFAB COc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(F)C3)cc1OC 1775985990 NKBQHLYGWKYPFW-KBPBESRZSA-N 322.380 2.878 0 40 DFAB CCCCS(=O)(=O)NCC1(c2cccs2)CCOCC1 38593351 YWTXFROSKQVPDK-UHFFFAOYSA-N 317.476 2.516 0 40 DFAB CC(C)N1CCO[C@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@H]2C1 1565547540 JZYGVJUIIHHKFU-XSLAGTTESA-N 322.493 2.770 0 40 DFAB O=c1c2cc(Cl)ccc2nc(S)n1Cc1ccccn1 425310 JBSNLSIKKOSOTN-UHFFFAOYSA-N 303.774 2.782 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ncnc3sccc23)c1 5299397 PVQBQSGMPXETPN-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB O=C(CCC1CCCC1)NCc1nnnn1C1CCCCC1 10594113 WRPFYFBQBLKZMS-UHFFFAOYSA-N 305.426 2.765 0 40 DFAB CC(=O)c1s/c(=N\c2ccc(C)c(C)c2)n(CCO)c1C 9317482 BVMOLZUBXAVXOD-MSUUIHNZSA-N 304.415 2.902 0 40 DFAB Cc1nc(Cc2noc(-c3cc4c(s3)CCCC4)n2)no1 96405242 HBCHRVISQZGPOH-UHFFFAOYSA-N 302.359 2.959 0 40 DFAB Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCCC2)nc1 30900180 QAIXILCACSRJNA-UHFFFAOYSA-N 319.840 2.667 0 40 DFAB CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1 63063 GQQSLMVLCMJUCI-UHFFFAOYSA-N 308.428 2.805 0 40 DFAB CCN(Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 69327768 UCRKWXBQJATAIL-CYBMUJFWSA-N 309.456 2.910 0 40 DFAB CCCNCC(=O)Nc1ccc(C(=O)OC(C)(C)CC)cc1 1671742 GTPQGOHAZRLYBO-UHFFFAOYSA-N 306.406 2.970 0 40 DFAB Cn1/c(=N\C(=O)c2ccc3nc[nH]c3c2)sc2ccccc21 50957390 MFLAANGWFJGWKN-KNTRCKAVSA-N 308.366 2.857 0 40 DFAB O=C(NCc1cccnc1Oc1cccc(F)c1)N1CCC1 45999558 CAQASSWMUYPKMM-UHFFFAOYSA-N 301.321 2.928 0 40 DFAB CCOC(=O)CCC(=O)NCc1cc2cc(C)ccc2n1CC 4973483 PTHJWCQVVPDONT-UHFFFAOYSA-N 316.401 2.929 0 40 DFAB CCCCCNC(=O)C(=O)Nc1cccc(Br)c1 6596776 KFVPFJGBWKZYEB-UHFFFAOYSA-N 313.195 2.694 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 6954667 XMXNXNWGJOGADU-DEKJKZHBSA-N 317.366 2.842 0 40 DFAB C[C@H]1Cc2ccccc2N1CCNC(=O)Cc1ccccc1O 101659164 ZQQQOBHMNIGSOS-AWEZNQCLSA-N 310.397 2.502 0 40 DFAB c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)cc1 52534064 LSZXKRKXWSDWJY-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB COc1ccc(OCCNc2cccc(C(N)=O)c2C)cc1 32913396 FUQXBPFAIRSLOV-UHFFFAOYSA-N 300.358 2.593 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCOc1cccc(Cl)c1 102697954 JRAWZBPHJCKEKT-OKILXGFUSA-N 305.761 2.670 0 40 DFAB COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3Oc2ccccn2)c1 107266146 SJRGGRRWIHTRHE-HFTRVMKXSA-N 324.380 2.772 0 40 DFAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)c1 534967 YLYKHMPMJRLQQV-UHFFFAOYSA-N 311.385 2.595 0 40 DFAB Cc1ccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1Cl 89643351 ZPFJOTVUTHCUMO-CQSZACIVSA-N 323.824 2.633 0 40 DFAB CCc1cc2c(=O)n(CC(=O)c3cccs3)cnc2s1 1290903 HUKXIJLWTAEXMW-UHFFFAOYSA-N 304.396 2.965 0 40 DFAB Fc1cnc(Nc2ccccc2Cl)nc1N1CCOCC1 3177976 RBOCOTPHGVUNLR-UHFFFAOYSA-N 308.744 2.849 0 40 DFAB COCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 47902274 RYLOVOYHCSCBHI-UHFFFAOYSA-N 305.353 2.894 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@H](C)CO1 110622691 OPDLMRNIDWKRHD-TWPTVVAISA-N 315.413 2.851 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCC(C)CC3)cc2)no1 25433254 JIXXQKGNVBIISI-UHFFFAOYSA-N 315.373 2.829 0 40 DFAB CN(C(=O)c1ccc(NC2CC2)nc1)C1Cc2ccccc2C1 57265885 OGAYHCUSLQSHDU-UHFFFAOYSA-N 307.397 2.895 0 40 DFAB COC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 21984949 PYTIXXARJFXCPJ-UHFFFAOYSA-N 320.389 2.530 0 40 DFAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1 64799553 FPJOYLOXJJJNGK-UHFFFAOYSA-N 322.368 2.723 0 40 DFAB O[C@@H](CNCc1cccc2c1OCCO2)c1ccc(F)c(F)c1 58030534 CBKNQYMYMLWYHT-HNNXBMFYSA-N 321.323 2.559 0 40 DFAB COc1ccc(OCc2noc(CN3CCC[C@@H](C)C3)n2)cc1 44893132 OLJUCDHVCNBYBD-CYBMUJFWSA-N 317.389 2.889 0 40 DFAB COc1cc(C(=O)OCc2nccs2)cc(OC)c1OC 58265304 XZMQNFYUQULZGT-UHFFFAOYSA-N 309.343 2.526 0 40 DFAB CSc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 44973564 PCIRJRVUVKTDQL-JTQLQIEISA-N 304.371 2.759 0 40 DFAB C[C@H]1CCCCN1CCCCNC(=O)c1cccc2[nH]ncc12 58431457 PRIVSHWMNMBETC-AWEZNQCLSA-N 314.433 2.947 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2cccs2)c1 28040282 HCQYLJHYSPYVHK-JTQLQIEISA-N 324.427 2.746 0 40 DFAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CC1 3434287 BAJBACYXWVCBGS-UHFFFAOYSA-N 311.337 2.914 0 40 DFAB O=S(=O)(NCCc1ccc(Cl)cc1)N1CCCCCC1 25146581 ZMJVMPPVEUEDQQ-UHFFFAOYSA-N 316.854 2.593 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)NC)[C@H]1c1ccc(OC)cc1 12937478 UMXJMAMCXRCGKB-NVXWUHKLSA-N 318.417 2.521 0 40 DFAB CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 69538354 CWVBUMDMNQQSSS-UHFFFAOYSA-N 305.355 2.841 0 40 DFAB c1ccc(-c2nc(CN3CCC[C@H]3Cn3cncn3)co2)cc1 69617521 GAWXETISRFZVRM-INIZCTEOSA-N 309.373 2.598 0 40 DFAB COC(=O)c1cc2ccccc2cc1NC(=O)c1cc(C)nn1C 65492004 PEQJIQVYFPHGCZ-UHFFFAOYSA-N 323.352 2.921 0 40 DFAB CCN(CC)CCC[C@@H](C)NC(=O)c1csc(COC)n1 65539602 JCXCZPSDQZUTSJ-GFCCVEGCSA-N 313.467 2.530 0 40 DFAB COc1ccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1 14185306 OFWQNLXCBFACTR-UHFFFAOYSA-N 315.325 2.727 0 40 DFAB CCn1nnnc1Sc1nc(C)nc2sc3c(c12)CCC3 14171207 HNPQKFYFYJKGMA-UHFFFAOYSA-N 318.431 2.646 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3ccccn23)o1 14140382 YAPOHJPMIQFMJO-AGMJWKPSSA-N 322.368 2.775 0 40 DFAB COc1ccc2oc(=O)c(C(=O)Nc3nccs3)cc2c1 4550213 CMOAIYWFNKRKBH-UHFFFAOYSA-N 302.311 2.510 0 40 DFAB CCc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 5427319 ZLTPIXRCYAVNQK-UHFFFAOYSA-N 322.364 2.922 0 40 DFAB C[C@@H](NC(=S)NCCN(C)C)C12CC3CC(CC(C3)C1)C2 6587329 JBAIVYMCSBWYJR-JISDDCRVSA-N 309.523 2.617 0 40 DFAB CCC(CC)(CNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1 69845567 MSGNQYHKFWSVQY-AWEZNQCLSA-N 322.836 2.793 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)Cc2ccsc2)[C@@H]1C 4863512 VMYKNXXLAZMSSN-BZPMIXESSA-N 309.431 2.775 0 40 DFAB CCc1cccc(C)c1NC(=O)CCNC(=O)c1ccco1 6848855 GZPYKKBEMVDPNU-UHFFFAOYSA-N 300.358 2.909 0 40 DFAB CCN(CC)C(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 4979939 FTBNYZPGHYIKDN-ZDUSSCGKSA-N 304.434 2.971 0 40 DFAB COc1ccccc1CC(=O)OCC(=O)Nc1cccc(F)c1 7034856 RREBYXFOQNCWKR-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB Cc1ccc(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 7070302 WRESASPMKAZKOQ-UHFFFAOYSA-N 322.364 2.597 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)s1 7192791 AYCAGNGVCDDKNU-SNVBAGLBSA-N 319.455 2.912 0 40 DFAB CCN(CC)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 7612553 UYQUZIMKBWLXEY-UHFFFAOYSA-N 312.479 2.604 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(C2CC2)nn1-c1ccccc1 8074795 DKRSMFUQWAAZST-OAHLLOKOSA-N 311.385 2.659 0 40 DFAB c1nc(Sc2nnnn2C2CCCC2)c2ccsc2n1 8074296 CCFSPKDOWAGQLG-UHFFFAOYSA-N 304.404 2.944 0 40 DFAB NC(=O)N1CCC(NCc2ccc(SC(F)F)cc2)CC1 96005646 BADVRCAYOGKRHC-UHFFFAOYSA-N 315.389 2.634 0 40 DFAB Cc1nc2sc(C(=O)OCc3ccccc3)c(C)c2c(=O)[nH]1 9503790 RHJCNBIVAFIZCL-UHFFFAOYSA-N 314.366 2.958 0 40 DFAB NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 19736940 VYYOIRFXORRYKC-UHFFFAOYSA-N 309.457 2.742 0 40 DFAB Cn1ccnc1-c1nccn1-c1ccc(OC[C@@H]2CCCO2)cc1 71762364 LRDLGMFMAVASEA-INIZCTEOSA-N 324.384 2.831 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)CCSC)cc1 96431160 VNIZKPHNCLVSNM-NSHDSACASA-N 319.430 2.957 0 40 DFAB O=C1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CCN1 96429396 RBRPUMSWINMQGP-UHFFFAOYSA-N 315.320 2.641 0 40 DFAB COc1ccc(OCCNC(=O)N[C@H](C)c2nccs2)cc1 71879743 UZPVLQHJZVIPAM-LLVKDONJSA-N 321.402 2.591 0 40 DFAB O=C(NC[C@@H]1CCC[C@H]1O)C1(c2cccc(F)c2)CCCC1 76060535 LBLRVZBLRFHFII-XJKSGUPXSA-N 305.393 2.915 0 40 DFAB Cn1cnc2c1CCN(Cc1coc(-c3cccs3)n1)C2 72267658 IIFBCALPPSUEKU-UHFFFAOYSA-N 300.387 2.695 0 40 DFAB O=C(/C=C/c1nc2ccccc2s1)NC[C@@H]1CCCC[C@@H]1O 72293738 ARXXBXSQVZTTFT-OKWZRIHXSA-N 316.426 2.977 0 40 DFAB O=C(Cc1cccnc1)NCc1ccccc1N1CCCCC1 97047601 MHRTZBYPDPLORE-UHFFFAOYSA-N 309.413 2.931 0 40 DFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2cc[nH]c12 97002848 NVHCKXNYJFTDIV-INIZCTEOSA-N 320.348 2.820 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ccco2)[C@H](c2ccccc2)CO1 76066722 QROGHAWMFVUNPB-CJNGLKHVSA-N 300.358 2.951 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 97143040 TZBHGRVRHUQYTA-OAHLLOKOSA-N 312.373 2.779 0 40 DFAB CC(C)N(C)S(=O)(=O)Nc1cccc(-c2nccs2)c1 76060701 LJXUEWUTOCEERX-UHFFFAOYSA-N 311.432 2.807 0 40 DFAB c1cn2c(CN3CC[C@@]4(CCOC4)C3)c(C3CC3)nc2s1 97230929 QINXXMLTGHGDBG-MRXNPFEDSA-N 303.431 2.886 0 40 DFAB COC(=O)c1c(F)cccc1NCc1nnc(C(C)(C)C)o1 97227517 LFWDJTMDAKHVBX-UHFFFAOYSA-N 307.325 2.905 0 40 DFAB CC1(C)C[C@H](NC(=O)Cc2csc(-n3cccc3)n2)CCO1 72402772 LIXDGJCDFISFRV-GFCCVEGCSA-N 319.430 2.550 0 40 DFAB c1cnc2nc(N3CCC[C@@H](N4CCCCCC4)C3)ccc2n1 95395463 ISIFQRLGFNIQSR-OAHLLOKOSA-N 311.433 2.870 0 40 DFAB c1cc(NCc2ncc[nH]2)cc(OCCN2CCCCC2)c1 95429061 JYNGLUNNBLEEJO-UHFFFAOYSA-N 300.406 2.887 0 40 DFAB CN(Cc1nc2ccccc2n1C)S(=O)(=O)CC1CCCC1 79111937 BEEDESKUCIOWGH-UHFFFAOYSA-N 321.446 2.525 0 40 DFAB CCc1ncc(CN(CC(=O)O)C(=O)c2ccc(C)s2)s1 95997233 JHBSROVVCVAMPT-UHFFFAOYSA-N 324.427 2.802 0 40 DFAB CN(C)c1ccc(NC(=O)NC2(CCO)CCCCC2)cc1 89326586 DTRSYVINNVYOKL-UHFFFAOYSA-N 305.422 2.959 0 40 DFAB C[C@H]1CN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)C[C@@H](C)O1 27975386 ORVKBLKAMMVBLP-MJBXVCDLSA-N 303.402 2.578 0 40 DFAB Cc1ccc(-c2nc(C(N)=O)nn2-c2ccc(C)c(C)c2)cc1 408696109 WEWIKJXCAKOHEO-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB CCOc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1OCC 36680417 OCORSKHASZMVOV-UHFFFAOYSA-N 317.345 2.883 0 40 DFAB C[C@H](NC(=O)c1ccccc1)c1nc2c3ccccc3ncn2n1 521398804 CWBBRCNTMRKZQB-LBPRGKRZSA-N 317.352 2.769 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2cc[nH]n2)s1 72386128 YJUZNQJUYBGHAC-CYBMUJFWSA-N 304.419 2.779 0 40 DFAB CN(Cc1nnc[nH]1)C(=O)Nc1cccc(SC(F)F)c1 186973613 ATICLKKRACSHJC-UHFFFAOYSA-N 313.333 2.783 0 40 DFAB CNc1snc(C)c1C(=O)N(C)CCOc1ccccc1C 30571140 MBNIKKWMONEITQ-UHFFFAOYSA-N 319.430 2.953 0 40 DFAB CCN1CCCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 72384600 CWHXEEUAYSZHOD-LBPRGKRZSA-N 304.423 2.927 0 40 DFAB O=c1[nH]c(N[C@H]2CC=CCC2)nc2c1cnn2-c1ccccc1 78293336 RVRRUYXAZNXAAK-LBPRGKRZSA-N 307.357 2.629 0 40 DFAB C[C@H](C1CC1)n1cc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cn1 565196254 SRGBWBGSDGKFQQ-LLVKDONJSA-N 324.388 2.835 0 40 DFAB Cc1ccc(C2(C(=O)NCc3ccncc3)CCOCC2)cc1 72265202 VNFMMDJZMKZAHQ-UHFFFAOYSA-N 310.397 2.755 0 40 DFAB COc1ccsc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 79310443 JKYYTTLFMMVXBO-ZDUSSCGKSA-N 318.398 2.978 0 40 DFAB CN(CC1CC1)C(=O)CCCOc1nn(C)c2ccccc12 227154102 FVGIAGWSPGRSCT-UHFFFAOYSA-N 301.390 2.601 0 40 DFAB CNC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225881058 AWJXCGYTJYVKLV-UHFFFAOYSA-N 319.821 2.566 0 40 DFAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccccn1 81367516 LTWLNWKRSSMZDA-UHFFFAOYSA-N 300.333 2.656 0 40 DFAB COCCn1c([C@@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180840 WUJOJTRVKZXVLY-CYBMUJFWSA-N 324.384 2.569 0 40 DFAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2O1 223714842 NQGFYRAARVTURN-UHFFFAOYSA-N 318.398 2.986 0 40 DFAB CC[C@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223300815 ZGIMRVWXLPJERP-WIOAZZGGSA-N 312.369 2.965 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)/C=C/c2cccs2)c(C)o1 80898766 SZAGLARHMMNUNW-FYCOFBDGSA-N 305.399 2.995 0 40 DFAB C[C@@H](c1cnccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 190738197 UIQGLOYUYFXORR-QWHCGFSZSA-N 306.410 2.527 0 40 DFAB CC[C@]1(CO)CCCN1C(=O)N[C@H](C)c1ccc(F)c(F)c1 190439426 OIDCGZBNOLZOPY-BDJLRTHQSA-N 312.360 2.972 0 40 DFAB CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCS1 195531840 CUHQOOSJUPNWKD-VXGBXAGGSA-N 324.412 2.615 0 40 DFAB CCOc1cc(C(=O)N(C)Cc2cnc(CC)s2)ccn1 96409905 GDKXXFLBLRFUDY-UHFFFAOYSA-N 305.403 2.771 0 40 DFAB Cc1nc(C)c(CNC(=O)N[C@H]2COc3ccccc32)s1 96439599 XNGYRKKQYLXHHU-LBPRGKRZSA-N 303.387 2.693 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1C 96207846 JOHYMYOTMYCZCZ-OAHLLOKOSA-N 308.491 2.989 0 40 DFAB Fc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)cc1 96059746 DQMKMBDCSJGDLQ-QGZVFWFLSA-N 315.392 2.836 0 40 DFAB CCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 97232755 WDRPGAXSWSTQSU-UWVGGRQHSA-N 324.343 2.843 0 40 DFAB C[C@@H](Nc1ccc2c(c1)CCO2)c1nnnn1-c1ccccc1 96436889 ANPKLXWDXVIPPZ-GFCCVEGCSA-N 307.357 2.770 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(C)nc21 96059839 PIDMJBXHZQVPMS-CQSZACIVSA-N 305.447 2.926 0 40 DFAB COc1cc(CN[C@@H](C(N)=O)c2ccccc2)c2ccccc2n1 96437223 UTYXVVQOVSJWHL-GOSISDBHSA-N 321.380 2.560 0 40 DFAB COc1ccc(-c2ccnc3nc([C@@H]4CCCO4)nn23)c(F)c1 95474809 YORCOBRJBIELPZ-AWEZNQCLSA-N 314.320 2.791 0 40 DFAB COc1ccc([C@@H]2CNCCN2Cc2csc(C)n2)cc1 257304048 SJWVDZWLCQHAAM-INIZCTEOSA-N 303.431 2.607 0 40 DFAB CNc1nc([C@@H]2CCCN(Cc3cnccn3)C2)cn2cccc12 257327070 WZURUHRNXIVPAI-CQSZACIVSA-N 322.416 2.546 0 40 DFAB Cc1ccccc1CNC(=O)c1ccccc1-n1cnc(CN)c1 257258787 KVNOKCNIXGLAFN-UHFFFAOYSA-N 320.396 2.569 0 40 DFAB CCn1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(C)n1 257256993 KNQWQHWYEBTVBV-GFCCVEGCSA-N 304.419 2.688 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)cn1 257266959 MFILFMIQYMAKME-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 257278150 OBAFKIKZZXEAMH-GFCCVEGCSA-N 314.389 2.605 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(CC2CC2)C1 46120851 HKZHCRYHJFLZLX-SNVBAGLBSA-N 310.756 2.676 0 40 DFAB O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1 65966313 CARVBKSRTOSFDA-UHFFFAOYSA-N 313.401 2.800 0 40 DFAB O=C(c1ccc(-c2ccsc2)cc1)N1CC(n2nccn2)C1 888107012 IXUJIORMEPVMCT-UHFFFAOYSA-N 310.382 2.704 0 40 DFAB O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)N1 561108 KHUSSQGFSPENLY-MHWRWJLKSA-N 317.348 2.870 0 40 DFAB O=C(/C=C/c1c(Cl)nc2ccccn12)OC[C@H]1CCCO1 3231161 KAHMEIZDIQUGPD-XUIVZRPNSA-N 306.749 2.723 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1cccs1 14183987 PGNAHHMFBLSDMM-GFCCVEGCSA-N 308.428 2.589 0 40 DFAB CCN1C[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)CC1=O 19526998 NGUNRGZGSXSGKL-LLVKDONJSA-N 321.446 2.609 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 19747000 VGUVNYNVBJKESV-INIZCTEOSA-N 319.449 2.882 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccc2nc(C3CC3)cn2n1 1888906669 ICXHILLLYLFUHS-UHFFFAOYSA-N 310.332 2.676 0 40 DFAB O=C(COc1ccccc1)NCCCN1CCc2ccccc2C1 29838745 NHSAQONZNVRYCK-UHFFFAOYSA-N 324.424 2.630 0 40 DFAB COc1ccccc1[C@H](CNc1ncnc2cnccc12)OC 1775970906 JJYDGYDXBNXZPV-INIZCTEOSA-N 310.357 2.833 0 40 DFAB C[C@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)[C@@H](C)CO1 50312149 XGNYAPXHUAHILQ-RYUDHWBXSA-N 319.792 2.775 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 212271 QOMIHWZZTLWLPQ-JOCHJYFZSA-N 317.414 2.600 0 40 DFAB Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCC2)CC1 780452 MAUOURNCELCNFR-UHFFFAOYSA-N 314.429 2.906 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccsc1 36686436 QYINTSARYIBOSA-ABAIWWIYSA-N 303.383 2.935 0 40 DFAB CC1(C)N=C(N)N=C(N)N1c1cccc(CCc2ccccc2)c1 1716432 DPVIAFCXICQIMF-UHFFFAOYSA-N 321.428 2.657 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)cc1 31625767 KRYGVQSYEMARNK-CQSZACIVSA-N 321.384 2.526 0 40 DFAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1CCOC1 40514267 OORJGTICDFPOAT-LLVKDONJSA-N 304.321 2.555 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1cccc(OC)c1)CC(C)C 31705539 VKWVPOBJAHYZPM-CQSZACIVSA-N 322.405 2.586 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccoc1 45784183 MVKJLVMULGXQFJ-QGZVFWFLSA-N 310.353 2.860 0 40 DFAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(NC(C)=O)cc1 7737330 IMAPKPHPDNORCS-INIZCTEOSA-N 306.362 2.865 0 40 DFAB CCN(CC)CCNC(=O)c1sc(-c2ccccn2)nc1C 31868003 ZTVFDSVSPPDBAQ-UHFFFAOYSA-N 318.446 2.585 0 40 DFAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 4655207 UHQGCIIQUZBJAE-UGCZWRCOSA-N 302.414 2.883 0 40 DFAB Cc1ccnc(NC(=O)CCNC(=O)c2ccccc2Cl)c1 10056602 YZLBVPQSQFDNDP-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB COc1ncccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 45933641 SQAVZSYXJWMRMW-UHFFFAOYSA-N 310.357 2.929 0 40 DFAB CCOc1ccc(Br)cc1CNCCCN(C)C 8324504 KSZVYHCCDWSIJW-UHFFFAOYSA-N 315.255 2.889 0 40 DFAB COc1cccc(Cc2cnc(NC(=O)[C@@H]3CCCO3)s2)c1 21194875 JBOBUDNTXGEUCE-AWEZNQCLSA-N 318.398 2.860 0 40 DFAB Cc1nn(CCC(=O)NCCc2ccc(O)cc2)c2ccccc12 57280022 FOWGAFBGGHTENS-UHFFFAOYSA-N 323.396 2.799 0 40 DFAB COc1cc(CNC(=O)N[C@@H](C)CCc2ccccc2)ccn1 32794797 QXUNQIOLHMSTDO-AWEZNQCLSA-N 313.401 2.911 0 40 DFAB C[C@@H](OC(=O)CCc1nc2ccccc2o1)C(=O)NC(C)(C)C 21605277 PXWMIEOMNPFDGB-LLVKDONJSA-N 318.373 2.607 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2)C[C@@H](C)O1 32921045 UHSDXSFWFXNHON-VQAKBWMISA-N 316.445 2.704 0 40 DFAB Cc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1 29962378 HFMRDMCKBZZRLF-UHFFFAOYSA-N 324.384 2.960 0 40 DFAB Cc1oc(C)c(C(=O)N2CCN(Cc3ccccn3)CC2)c1C 33238148 GOPTXAVQDIJLGQ-UHFFFAOYSA-N 313.401 2.558 0 40 DFAB COc1ccc2c(CC(=O)N3CCO[C@@H]4CCC[C@@H]43)coc2c1 53382225 VJABZUJZNHFJLY-JKSUJKDBSA-N 315.369 2.764 0 40 DFAB Cc1nc(C)c(NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)s1 75107237 TUFDZXYXOYZMMQ-QMMMGPOBSA-N 306.435 2.928 0 40 DFAB COc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21 796550 OCIZIKVAGNHNBN-UHFFFAOYSA-N 314.366 2.710 0 40 DFAB CCCc1nc(N2C[C@H](C)O[C@@H](C)C2)c2c(n1)c(C)nn2CC 57355854 JCAJUISQFLLRHX-RYUDHWBXSA-N 317.437 2.721 0 40 DFAB CCN(CC)CCNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 22704486 KQZUHHKNJYBNEB-UHFFFAOYSA-N 319.449 2.550 0 40 DFAB CCc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)o1 53991158 ASGHYROPIKMBEA-UHFFFAOYSA-N 313.401 2.631 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100395162 MJSCFQBYOZURHK-CNGUFQHNSA-N 322.408 2.672 0 40 DFAB COc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)cc1 42674771 FKCQDUMWHDNQDX-INIZCTEOSA-N 324.446 2.563 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc2ccc3ccccc3n12 7997305 IFVHWHFQVKQTTM-NSHDSACASA-N 314.414 2.889 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1 24771016 OHFJQBAJKGLWJF-UHFFFAOYSA-N 314.341 2.788 0 40 DFAB O=C(Nc1ccn(-c2ccccc2)n1)[C@H]1COc2ccccc2O1 24982684 CQORKKKHTXZJEK-MRXNPFEDSA-N 321.336 2.651 0 40 DFAB Cc1cc(NC(=O)CN[C@H](c2ccccc2)c2ccccn2)no1 25418068 MJYLZYLPKXXJRN-GOSISDBHSA-N 322.368 2.696 0 40 DFAB COc1ccc(OC[C@H](O)CN2c3ccccc3C[C@@H]2C)cc1 25405177 UQHGBGNABWWBGI-GOEBONIOSA-N 313.397 2.886 0 40 DFAB COc1cccc(OCc2cc(=O)n3c(C)csc3n2)c1 21368888 FDMFOUXOOBAMNP-UHFFFAOYSA-N 302.355 2.652 0 40 DFAB O=c1[nH]c(/C=C/c2ccn(-c3ccccc3)n2)nc2cnccc12 90988597 WUJIVTVLAZRAEC-VOTSOKGWSA-N 315.336 2.674 0 40 DFAB CN1CCC(N(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 3292410 DCRDNMUOOIZERA-UHFFFAOYSA-N 324.490 2.699 0 40 DFAB CCOCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 58195801 MRMLSBIEFIWOPS-OLZOCXBDSA-N 312.207 2.705 0 40 DFAB O=C(c1ccco1)N1CCCN(Cc2ccccc2F)CC1 58224907 MIEMUQRVTKYVDK-UHFFFAOYSA-N 302.349 2.767 0 40 DFAB CCCn1nc(C(=O)N(Cc2cccs2)C2CC2)ccc1=O 44909054 SEZIDOJZVOWADJ-UHFFFAOYSA-N 317.414 2.520 0 40 DFAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H]1CCCN(C)C1 58305016 KRRHTLBNRUMZSZ-OAHLLOKOSA-N 314.433 2.705 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@H]2C)c1 21224001 LKZPEWHNPCLLKQ-ZBFHGGJFSA-N 302.418 2.810 0 40 DFAB CN(C)C(=O)c1cc(Br)c(Br)s1 12877242 RHHPLUWAIAIQMW-UHFFFAOYSA-N 313.014 2.975 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 8113256 KNTBJRGCWCMKRS-AWEZNQCLSA-N 311.337 2.663 0 40 DFAB CCCOc1ccc([C@H](C)NC(=O)c2cnccn2)cc1OC 48500857 CSXAKZRQFBTUAZ-LBPRGKRZSA-N 315.373 2.765 0 40 DFAB COc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1OC 22479873 BMTOEVSRRUDMGA-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB O=C(NCc1nnc2ccccn12)c1ccc2c(c1)CCCC2 8352273 YHIOXMOEQVAASN-UHFFFAOYSA-N 306.369 2.538 0 40 DFAB COC(=O)[C@@H](NC(=O)/C=C/c1ccco1)c1cc(F)ccc1F 69518655 BOQNXKJFLCMBBE-ZKKXHLJNSA-N 321.279 2.602 0 40 DFAB Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)n2ncnc2n1 69560504 WVEXJESYMAUKMO-ZDUSSCGKSA-N 323.356 2.503 0 40 DFAB C[C@H](NC(=O)c1cnn[nH]1)C(c1ccccc1)c1ccccc1 65552235 AZXPCDZPWAKYIL-ZDUSSCGKSA-N 306.369 2.755 0 40 DFAB CN1CC[C@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1=O 65504204 OFVOUNHCZZNHHG-DLBZAZTESA-N 314.429 2.999 0 40 DFAB CCc1c(C(=O)NCc2cccnc2)cnn1-c1ccc(F)cc1 6708677 UYPDQQWUXCNMCJ-UHFFFAOYSA-N 324.359 2.899 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)cn1 69740441 UOSNESRUSZSSOI-GFCCVEGCSA-N 315.402 2.869 0 40 DFAB CC1CCN([C@H](C)CNC(=O)N2CCc3ccccc3C2)CC1 67706273 LAVFTPWJFIZFSM-MRXNPFEDSA-N 315.461 2.875 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 7422959 UAFWUPUJBGRWAG-UHFFFAOYSA-N 306.265 2.803 0 40 DFAB Cc1ccc2nc(CN3c4ccccc4C[C@H]3C)cc(=O)n2c1 7587454 ZABUGSJTLCICKF-CQSZACIVSA-N 305.381 2.954 0 40 DFAB O=C(CS[C@H]1CCCc2ccccc21)NC[C@@H]1CCOC1 71892686 OCWRUZAUAIQQJH-BBRMVZONSA-N 305.443 2.950 0 40 DFAB O=c1[nH]c(N[C@@H]2CCN(c3ccccc3)C2)nc2ccccc12 71882468 GTFRONNKUJYAEL-CYBMUJFWSA-N 306.369 2.614 0 40 DFAB Cn1cc(CNC(=O)CCc2ccncc2)c(-c2ccccc2)n1 96008185 RYYIMHVGWMRPHD-UHFFFAOYSA-N 320.396 2.731 0 40 DFAB CC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)s1 19796568 QEZJSFKJZMHMEZ-SSDOTTSWSA-N 317.370 2.796 0 40 DFAB O=C(NC[C@@]1(O)CCCc2ccccc21)c1cccnc1Cl 75213519 BZUGBJQEFHKCPW-KRWDZBQOSA-N 316.788 2.689 0 40 DFAB C/C=C/c1ccc(OCC(=O)Nc2nnc(C)s2)c(OC)c1 9723415 ZZRLVEIJQDNZFL-SNAWJCMRSA-N 319.386 2.906 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)s1 9863962 YTRNMVPIENMXMC-SNVBAGLBSA-N 309.774 2.827 0 40 DFAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)CC(C)(C)O 72284591 QFORVVVMKJCBTM-UHFFFAOYSA-N 309.797 2.983 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)c2occc2C)C(=O)O)c1 97018792 HDESPIMSCAOVGG-AWEZNQCLSA-N 301.342 2.570 0 40 DFAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(CC(=O)O)cs1 97035262 SCDQKMJZAGIOOV-NXEZZACHSA-N 322.411 2.882 0 40 DFAB CO[C@@H]1CC[C@H]2OCCN(CCC(=O)c3ccc(F)cc3)[C@@H]2C1 97046040 FWNKJFKPOYSMAT-JFIYKMOQSA-N 321.392 2.667 0 40 DFAB CCOCC(=O)N[C@@H](C)Cc1ccccc1Br 89986632 KUOBCWMMYIOLIA-JTQLQIEISA-N 300.196 2.533 0 40 DFAB CC1CCN(CCSc2ccccc2S(C)(=O)=O)CC1 95427636 GYCMSJWNDJEOAV-UHFFFAOYSA-N 313.488 2.914 0 40 DFAB C1C[C@@H](c2noc(C3CC3)n2)N(Cc2nnc(C3CC3)o2)C1 76047720 WBHWQXBZTUXWEA-NSHDSACASA-N 301.350 2.545 0 40 DFAB Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)CC(=O)N4)C2=O)cc1 76083336 BYWSEAMDKDUKOO-QGZVFWFLSA-N 321.380 2.707 0 40 DFAB CN(Cc1nc2cc(Br)ccc2[nH]1)CC(C)(C)O 95941564 PHQIXXTXPRGAPK-UHFFFAOYSA-N 312.211 2.528 0 40 DFAB Brc1cncc(N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)c1 78303348 HFEMSOIGAFUIBI-NILFDRSVSA-N 322.250 2.765 0 40 DFAB C[S@](=O)c1ccc(CNc2cccc(-n3cnnc3)c2)cc1 89493230 GBQSTXYVXPYVOR-JOCHJYFZSA-N 312.398 2.617 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@@H]3COc4ccccc43)c2)n[nH]1 75091925 HQDJCHDDJVLZPX-OAHLLOKOSA-N 320.352 2.644 0 40 DFAB Cc1cc(NC(=O)c2cc(Cl)ccc2N)cc(C(N)=O)c1 1556690464 DJVHLGWLXKTPDQ-UHFFFAOYSA-N 303.749 2.582 0 40 DFAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)C3CC3)cc12 2221796 OYASTLXBCMOYDV-UHFFFAOYSA-N 318.325 2.860 0 40 DFAB biogenic O=c1ccn(CCOCC(F)(F)C(F)F)c2ccccc12 189291190 ZCCAHLJQPDCIKK-UHFFFAOYSA-N 303.255 2.919 0 40 DFAB COc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1F 71325891 UJBWWIYQHFVWAL-UHFFFAOYSA-N 319.361 2.742 0 40 DFAB FC(F)(F)c1n[nH]c(C2CC2)c1I 72339181 RNWPPMWGBFGULS-UHFFFAOYSA-N 302.037 2.911 0 40 DFAB CCc1cc(C)n(Cc2cccc(C(=O)OC)c2)c1C(=O)O 78405417 KPDOLIUZOKMSBF-UHFFFAOYSA-N 301.342 2.892 0 40 DFAB CC(C)n1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)n1 561976804 YJXDVUFXSKLGQB-UHFFFAOYSA-N 312.295 2.808 0 40 DFAB CCN(C(=O)c1ccc(C(C)C)cc1)[C@H](C)CS(C)(=O)=O 79033972 ROJXKCJFDJIKLP-CYBMUJFWSA-N 311.447 2.705 0 40 DFAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CNCc3ccco3)[C@H]1C2 195541492 SUJUFHXCSRMIJJ-HLLBOEOZSA-N 305.418 2.739 0 40 DFAB CCC(CC)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 193139579 XGNNVVWTDFBSGV-IRXDYDNUSA-N 305.418 2.774 0 40 DFAB Cc1c(Br)ccc2nc(NC(=O)C(F)(F)F)cn12 144539858 CEWMQZKTQYSJIX-UHFFFAOYSA-N 322.084 2.906 0 40 DFAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)C2CCCCC2)o1 95472312 GMZYGBCELVMTQT-ZDUSSCGKSA-N 324.373 2.719 0 40 DFAB O=C(COC[C@@H]1CCCO1)N1CC[C@H]1c1ccc(Cl)cc1 96426796 JMPFLOLECOSLIP-GJZGRUSLSA-N 309.793 2.809 0 40 DFAB O=C(Cn1ccc(=O)c2sccc21)N1CCCCCCC1 96423952 YOMQXMWRECGATM-UHFFFAOYSA-N 304.415 2.856 0 40 DFAB Cc1ccccc1[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C1CC1 96472639 KBPYYDVZBWEKCC-WBVHZDCISA-N 323.458 2.935 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)N[C@H](C)c2ccco2)cc1 95449769 VBESNWNGNRALSY-DOMZBBRYSA-N 318.373 2.724 0 40 DFAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCOCC1 96499759 AYENYCPSZYVCGQ-UHFFFAOYSA-N 322.368 2.890 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1 96503291 VNXYUAVKJARZHT-PMPSAXMXSA-N 320.433 2.546 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccccn2)[C@H]1C(=O)O 96675788 BBAULLFXDJFNAM-OCCSQVGLSA-N 320.389 2.724 0 40 DFAB CS[C@@H]1CCC[C@H]1N(C)C(=O)NCCCc1cn[nH]c1C 96484016 VQXVDEKZNWAGIO-ZIAGYGMSSA-N 310.467 2.576 0 40 DFAB CC[C@@H](COC)NC(=O)Nc1cccc(-c2nccn2C)c1 96415924 CGBLJFNETVBWKB-ZDUSSCGKSA-N 302.378 2.634 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 97198347 WALOYITXFFYDJY-GFCCVEGCSA-N 318.446 2.825 0 40 DFAB O=C(Nc1nccs1)c1ccnc(OCC2CCOCC2)c1 240067976 SGBFNJDQNYREAY-UHFFFAOYSA-N 319.386 2.596 0 40 DFAB O=C(C[C@H]1C=CCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 247839284 DYXAHYPDQBTNSB-OWIUFQIYSA-N 305.418 2.528 0 40 DFAB Cc1cccc(NC(=O)c2ncn(C[C@H](O)c3ccccc3)n2)c1 583649706 VXIUHODNEYHPDS-INIZCTEOSA-N 322.368 2.572 0 40 DFAB Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1ccn[nH]1 257319875 VUKHZXWOMQBCFS-AWEZNQCLSA-N 305.403 2.634 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257343709 ZUCQWOBVHONOEG-CYBMUJFWSA-N 303.431 2.739 0 40 DFAB Cc1nccnc1CC[C@@H]1COCCN1Cc1cccs1 257236772 HDSHIPODEVHION-CQSZACIVSA-N 303.431 2.680 0 40 DFAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ccc(F)cc1 257265756 MADCIGXJIHCWMO-WMZOPIPTSA-N 320.408 2.680 0 40 DFAB CC(C)N(Cc1ccco1)C(=O)NCc1cn2c(n1)CCCC2 264059280 KWNNQYOVLRWQEW-UHFFFAOYSA-N 316.405 2.933 0 40 DFAB Cc1cccn2cc(-c3ccccc3NC(=O)c3nc[nH]n3)nc12 390828213 PLWRTATXTGORDB-UHFFFAOYSA-N 318.340 2.680 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccccc2O)C[C@H](c2ccccc2)O1 65613995 LUKFVSFVLUUJOE-KBXCAEBGSA-N 311.381 2.923 0 40 DFAB O=C(NC[C@@H](O)C1CCCCC1)c1nc2ccccc2s1 70636648 SLDYUIODJUUORM-CYBMUJFWSA-N 304.415 2.967 0 40 DFAB CC(C)c1nc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)no1 95986066 IIKVHNDCKCDLEK-GFCCVEGCSA-N 312.377 2.625 0 40 DFAB CSc1cc(N)nc(-c2ccc(N3CCN(C)CC3)cc2)c1 96316078 ZCTLZZQQAPJRIY-UHFFFAOYSA-N 314.458 2.805 0 40 DFAB c1cncc(CC2CCN(c3cc(NC4CC4)ncn3)CC2)c1 570301513 ZWDSEJFXSSWIOC-UHFFFAOYSA-N 309.417 2.905 0 40 DFAB Cc1cc(=O)oc2ccn(Cc3cccc4[nH]ccc34)c(=O)c12 1547208809 UZRUSMKVQHMUCL-UHFFFAOYSA-N 306.321 2.793 0 40 DFAB biogenic CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1 12499543 BINQLUCYQMQNEI-MQVJKMGUSA-N 307.438 2.550 0 40 DFAB O=P(O)(O)[C@H](NCc1ccccc1F)c1ccc(F)cc1 12997463 JDKHDWHECVNQOJ-AWEZNQCLSA-N 313.240 2.931 0 40 DFAB COc1ccc(CN2CCC[C@@H](c3cnccn3)C2)cc1OC 19561004 BKIAIVYJUSRCMP-OAHLLOKOSA-N 313.401 2.873 0 40 DFAB O[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccc(F)cc1 643913819 IOWWKMFJSGPLDY-HOTGVXAUSA-N 306.406 2.850 0 40 DFAB O=C([C@@H]1CCCCCN1)N1CCC(Oc2ccc(F)cc2)CC1 569221975 LJRWRDPRKNAIMC-KRWDZBQOSA-N 320.408 2.728 0 40 DFAB Cn1cnc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1 573938650 IZCGEZYDFUZTFV-UHFFFAOYSA-N 301.737 2.512 0 40 DFAB CSc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cc1 1888869791 SYFNNAXQFMKHAU-GASCZTMLSA-N 316.470 2.965 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)CSc2ccccc2Cl)C1 37410500 YPQYTXDFQLFMDH-JTQLQIEISA-N 313.806 2.755 0 40 DFAB O=C(CCc1ccccc1F)NCCc1ccc2c(c1)OCO2 24381659 AXKCKAOBWDRKRP-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB CC(C)(C)c1csc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1 40073594 SAQJZJGLHVYYQL-NSHDSACASA-N 321.446 2.638 0 40 DFAB CONC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 30866932 KLRUQUMAIZQXBB-UHFFFAOYSA-N 301.277 2.629 0 40 DFAB O=C(NCCCCc1ccccc1)c1ccc(-c2nnn[nH]2)cc1 28794721 GZIVOUVMYTVSSN-UHFFFAOYSA-N 321.384 2.619 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 111367 KHKYZLXJVPUJBQ-OAHLLOKOSA-N 322.364 2.881 0 40 DFAB Cc1c(-c2ccccc2)noc1-n1nnc2ccccc2c1=O 1591317 FFKIKGPENJCQPD-UHFFFAOYSA-N 304.309 2.744 0 40 DFAB Cc1cc(CC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)n[nH]1 89599128 KNZFAXSGBHCKPR-OAHLLOKOSA-N 311.385 2.823 0 40 DFAB CCC(=O)c1ccc(OCC(=O)NCc2cnc(C)s2)cc1 40556400 SFCZMSFWLOJWEE-UHFFFAOYSA-N 318.398 2.739 0 40 DFAB CC(=O)Nc1c(C(=O)O)n(C)c2ccc(Br)cc12 6857013 GOEAJOICOVLNBW-UHFFFAOYSA-N 311.135 2.597 0 40 DFAB Fc1cc(CCNc2nc(C3CC3)no2)c2c(c1)COCO2 91430436 VWDSRMOQUQRLGS-UHFFFAOYSA-N 305.309 2.607 0 40 DFAB C[C@H](N[C@H](C)Cn1cccn1)c1nc(-c2cccs2)no1 69415982 MOOFGKOKZFVHBI-MNOVXSKESA-N 303.391 2.734 0 40 DFAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(O)nn1 32747209 LCBFSRTWPLMIPX-AWEZNQCLSA-N 303.387 2.905 0 40 DFAB C=Cn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1 10119610 JDLBUJCAUPFVAI-UHFFFAOYSA-N 305.750 2.894 0 40 DFAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccs1 29601818 YHFUPYGJDSWXRV-NHYWBVRUSA-N 306.431 2.572 0 40 DFAB Cc1ccccc1CCNC(=O)c1ccc2c(c1)CCC(=O)N2 32836662 FHRNPIAKMNKDTG-UHFFFAOYSA-N 308.381 2.852 0 40 DFAB Cc1ccc(SCCN[C@@H](C(N)=O)c2ccccc2)cc1 32903020 PZBHGQHEBGPYRE-MRXNPFEDSA-N 300.427 2.903 0 40 DFAB COc1ccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc1 9135169 HGZAKQKKDNFSPP-LLVKDONJSA-N 316.357 2.826 0 40 DFAB CCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1O 102676892 XXMLPNSNXSYABQ-UHFFFAOYSA-N 311.341 2.516 0 40 DFAB CN1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 9876641 HQWMZLNSPAALTC-ZZFFKQLHSA-N 305.466 2.596 0 40 DFAB CC[C@@H]1CN(c2cnn(-c3ccccc3)c(=O)c2Cl)CCO1 23888067 ISCGXQJDUPJEQT-CYBMUJFWSA-N 319.792 2.501 0 40 DFAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1F 24285410 GCAMSWCXXBHSIS-UHFFFAOYSA-N 312.344 2.949 0 40 DFAB O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2)OCO3 1395365 BDMYAZQPJOCOKN-INIZCTEOSA-N 307.305 2.784 0 40 DFAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 25464248 HJAXUPFDPGZMEQ-PHIMTYICSA-N 318.417 2.728 0 40 DFAB CSC1=NCCN1C(=O)c1cc(-c2csc(C)n2)c[nH]1 75104320 CCWFECHBAOTWFQ-UHFFFAOYSA-N 306.416 2.621 0 40 DFAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)c2ccncc2)cn1 108086979 MTMPPIYMYZWFLH-FRFSOERESA-N 300.406 2.726 0 40 DFAB Cc1ccc(-c2nc3sccn3c2CN2CCNCC2)cc1 22465218 VVYTZIQCSDIJKC-UHFFFAOYSA-N 312.442 2.776 0 40 DFAB COc1ccc(C(C)(C)CNC(=O)N2CCCC2)cc1OC 75133449 SZUJTPJFSUEUNI-UHFFFAOYSA-N 306.406 2.787 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)NCc1nnc2ccccn12 89657381 FFCVRZWGUOIOMS-UHFFFAOYSA-N 321.384 2.700 0 40 DFAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccncc1 44896298 AAGAGYFBHYVLKS-AWEZNQCLSA-N 306.369 2.687 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCNC(=O)Cc1ccccc1F 58267939 XTJIQXRIPSIBBL-OAHLLOKOSA-N 320.408 2.666 0 40 DFAB CCN1CCC[C@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1 58276718 CJWVFTIPZDJUED-MRXNPFEDSA-N 316.445 2.806 0 40 DFAB C[C@H](OCC1CC1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 58342267 DGQBGRSYRQXNLT-ZLIFDBKOSA-N 321.392 2.977 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@H](C)OCC(C)C 58378515 JNZFALHRVYEHBQ-LBPRGKRZSA-N 302.378 2.575 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1c1ccccc1 28172357 LUAZUCWHIOZFST-MRXNPFEDSA-N 312.417 2.813 0 40 DFAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 28295942 BYGJCAXZKIDGKH-BXUZGUMPSA-N 321.398 2.650 0 40 DFAB O=C(OCCO)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 58669542 ODZZCPVYONHBOT-KRWDZBQOSA-N 310.353 2.530 0 40 DFAB O=C(NCC(=O)N1CCCc2ccccc21)C1CCCCC1 3331218 SPKWXIRTPDWFSM-UHFFFAOYSA-N 300.402 2.662 0 40 DFAB Cc1ncsc1CNC(=O)NCCO[C@H]1CCCC[C@@H]1C 69595529 HTYLBMSVNBFJGB-AAEUAGOBSA-N 311.451 2.846 0 40 DFAB COc1cc(C(=O)NC2CC2)ccc1OCc1c(C)noc1C 12776762 QZSOHWSJDQIVPQ-UHFFFAOYSA-N 316.357 2.771 0 40 DFAB CCCCn1c(SCC(=O)Nc2nc(C)no2)nc(C)c1C 48368322 DEJUXBPKDZYCDC-UHFFFAOYSA-N 323.422 2.722 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1 3510803 LKDYZUVUBDMKHI-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB Cc1ccc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)cc1C 69657355 IXZICGHISKFFFP-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2 49551336 IQHONHROMTWKGG-UHFFFAOYSA-N 316.788 2.837 0 40 DFAB CNC(=O)c1ccccc1NC(=O)c1ccccc1OC(F)F 19208694 AXXLXCOYGUCGBB-UHFFFAOYSA-N 320.295 2.900 0 40 DFAB O=C(NCc1ccccc1)N1CCC(N2CCCCC2)CC1 5152316 FJENYVJMVJFEKM-UHFFFAOYSA-N 301.434 2.847 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 65568542 VINDRTMUVXOYNR-IHRRRGAJSA-N 317.433 2.523 0 40 DFAB Cc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl 65516441 AEGRDFWMPAPNFB-TZMCWYRMSA-N 322.836 2.693 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2ccco2)n(-c2ccccc2)n1 14138826 BHOMLLQUUHEIFF-UHFFFAOYSA-N 324.384 2.844 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2ccccc2SC)CC1 69814360 YGXPOTBJVUNCGT-UHFFFAOYSA-N 323.418 2.715 0 40 DFAB Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C)s1 69807677 SABPJRPQUBIRAG-VIFPVBQESA-N 321.427 2.706 0 40 DFAB O=C(CN1C(=O)CCOc2ccccc21)NC1CCCCCC1 6590048 XZNMKJOLYDNXLQ-UHFFFAOYSA-N 316.401 2.641 0 40 DFAB CCN(Cc1ccncc1)S(=O)(=O)c1cc(C)ccc1C 5926254 YZRMIESSVXRVLZ-UHFFFAOYSA-N 304.415 2.909 0 40 DFAB CC(=O)c1csc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 15201297 ZNRWFMGBRIOAKC-LBPRGKRZSA-N 322.773 2.941 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2C[C@@H]2C)cc1 7132069 CWNQGEROJLCCNH-FZMZJTMJSA-N 303.358 2.807 0 40 DFAB Cc1cn(CC(=O)NC2CCC(C(=O)O)CC2)c2ccccc12 89702069 QILMKTYHNXGGHP-UHFFFAOYSA-N 314.385 2.709 0 40 DFAB CCNC(=O)[C@@H](C)Nc1ncnc2sc3c(c12)CCCCC3 8193537 IYQIABYFMRGPQT-SNVBAGLBSA-N 318.446 2.897 0 40 DFAB CN(C(=O)c1cc(Br)ccc1Cl)[C@H]1CCNC1 71310111 MTJAHHODMBTWKD-VIFPVBQESA-N 317.614 2.536 0 40 DFAB C[C@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1ccnc1 71856827 HNWUORUZLRXOQI-SECBINFHSA-N 317.299 2.751 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCO[C@H]2CCCC[C@@H]21 71821209 IZDWMJUXMGMNLE-IRXDYDNUSA-N 310.397 2.947 0 40 DFAB Cn1cc(/C=C/C(=O)c2ccc(SCC(=O)O)c(F)c2)cn1 71793306 ZXCOZUUIGAYDNX-DUXPYHPUSA-N 320.345 2.632 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1cnccn1 96410650 RULQZDCGDZAPQC-UHFFFAOYSA-N 322.372 2.635 0 40 DFAB Cn1c(CN2CCCC[C@@H]2CCO)nc2cc(Cl)ccc21 78922845 HENIBABYCAITFO-CYBMUJFWSA-N 307.825 2.964 0 40 DFAB C[C@H](CNC(=O)N1C[C@H]2CCCC[C@@H]2C1)CC1(C)OCCO1 89895156 SEHSTROEKNKJSJ-RRFJBIMHSA-N 310.438 2.607 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@H]1CCCO1 71901654 HFJZECJMFZXBPW-OAHLLOKOSA-N 314.389 2.790 0 40 DFAB COc1ccc(CCS(=O)(=O)Cc2ccc(F)cc2)cc1 96997423 NPZWVGAWESQXEV-UHFFFAOYSA-N 308.374 2.992 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N(C)Cc4nc[nH]n4)c23)C1 72293277 QMARNONUWUSWFD-VIFPVBQESA-N 314.418 2.571 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1csc(C2CC2)n1 76057959 WHUQQZABAYKQJN-NHYWBVRUSA-N 319.474 2.757 0 40 DFAB CCc1nnc([C@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299976 KUWVUGJFXXNHRM-JQWIXIFHSA-N 317.393 2.833 0 40 DFAB CCC(CC)N(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082731 YLAWRRLQYFDFBF-UHFFFAOYSA-N 310.341 2.910 0 40 DFAB Cc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1F 76057948 RCDCBDLDGOTEOA-CXAGYDPISA-N 304.409 2.871 0 40 DFAB C[C@H](C[S@@](C)=O)NC(=O)Nc1cccc(N2CCCCC2)c1 97107370 NCBQZLHLJOBYEM-DMZKTXOQSA-N 323.462 2.565 0 40 DFAB CNC(=O)CC1CCN([C@H](C)CCc2cccc(F)c2)CC1 97371353 MZAKDLZKLWQPDG-CQSZACIVSA-N 306.425 2.995 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ncnc2[nH]ccc12 78766476 NCJGHUSOPDPJFE-NSHDSACASA-N 316.796 2.995 0 40 DFAB C[C@H](NC[C@H]1CCCn2ccnc21)c1nc(C(C)(C)C)no1 84667599 ZMFGRLDQTTYQSA-NWDGAFQWSA-N 303.410 2.792 0 40 DFAB O=C(NC[C@H]1CCN(C2CC2)C1)NC1C2CC3CC(C2)CC1C3 95350801 JNSJFVSFXVAIHU-XKMJEZSVSA-N 317.477 2.595 0 40 DFAB CCC[C@@H]1CN(C(=O)N[C@@H](c2ccccn2)C(C)C)CCO1 95442724 AURSETZQUKMUMV-GDBMZVCRSA-N 305.422 2.989 0 40 DFAB CN(CCO)c1ccc(NCc2ccc(F)cc2Cl)nc1 95431123 VCPMQSGLDYTQLA-UHFFFAOYSA-N 309.772 2.915 0 40 DFAB COc1ccc2cccc(CC(=O)N(C)C[C@@H](O)C3CC3)c2c1 95436186 PEDCJRKIOMZDAW-GOSISDBHSA-N 313.397 2.620 0 40 DFAB CC[C@H](C)NC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 95965321 BAWTWPXLMAHMIK-ZFWWWQNUSA-N 306.406 2.760 0 40 DFAB CCc1nn(C)cc1N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 95942171 FMSLDGSPGPIMJH-VIFPVBQESA-N 308.332 2.700 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H]2CCC[C@H](O)C2)ccc1Cl 95939518 YPSBOGKSJCYXJN-OCCSQVGLSA-N 310.825 2.999 0 40 DFAB Cc1ccc(C)c([C@H](O)CN(C)Cc2nnc3ccccn23)c1 79442482 KNLXFFKFUXFHNJ-MRXNPFEDSA-N 310.401 2.512 0 40 DFAB COC(=O)CNC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 32907891 QIOGBSQYWJICRB-QPJJXVBHSA-N 319.304 2.601 0 40 DFAB Cn1c(CN2CCCC[C@H]2CCO)nc2cc(Cl)ccc21 78922860 HENIBABYCAITFO-ZDUSSCGKSA-N 307.825 2.964 0 40 DFAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN(CC(=O)O)C1 79416179 VMXFQPYEOVOYAS-QGZVFWFLSA-N 304.434 2.694 0 40 DFAB COc1ccc(SCC(=O)NCc2ccccn2)cc1OC 44900983 AOQYEEFQAKJUQZ-UHFFFAOYSA-N 318.398 2.507 0 40 DFAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(C)c1 226284801 QKDSMBPXBVQKHY-UHFFFAOYSA-N 316.323 2.747 0 40 DFAB CN(Cc1cc(Br)cs1)C(=O)[C@@H](N)C(C)(C)C 40467964 ANMROJBSVQDIIL-SNVBAGLBSA-N 319.268 2.842 0 40 DFAB O=C(NC[C@H]1CC[C@@H](O)C1)NC1CCC(C(F)(F)F)CC1 195578222 FAHDQYPIMQIJRZ-WNYYMSAVSA-N 308.344 2.568 0 40 DFAB N=C(N)SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 89262060 JEBNXFXLSGQGMQ-UHFFFAOYSA-N 302.281 2.882 0 40 DFAB Cc1cccc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)n1 226747815 BVOQQCRVBFSLFS-OAHLLOKOSA-N 301.371 2.973 0 40 DFAB CCc1ccc(CN2CCN(C(=O)c3cccn3C)CC2)s1 96414530 YXZOSTHEWPBSAA-UHFFFAOYSA-N 317.458 2.607 0 40 DFAB O=c1c2cc(Br)ccc2cnn1C1CCOCC1 95095816 FUZBMIAFAHILDA-UHFFFAOYSA-N 309.163 2.511 0 40 DFAB CCN(CC)C[C@H]1CN(Cc2cccs2)Cc2nccn2C1 96188274 DQZHJFHQLZIVCU-HNNXBMFYSA-N 318.490 2.918 0 40 DFAB C[C@H](C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1)n1cncn1 245316849 KVWGHGJHCFSPOK-PVAVHDDUSA-N 312.417 2.757 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 257246038 ISEGPRPHUJCCLP-AWEZNQCLSA-N 305.422 2.509 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccc(-c3nc(C)cs3)nc2)C1 257232592 GLNVDADRQOFRKI-CQSZACIVSA-N 301.415 2.924 0 40 DFAB c1ccc(N2CCN(Cc3ccnc([C@@H]4CCCO4)n3)CC2)cc1 257284852 PEOHQLGALOWOEE-SFHVURJKSA-N 324.428 2.650 0 40 DFAB COc1ccc(CCNCc2cnn(CC(C)C)c2)cc1OC 256053234 QPQZTLJNVBTHAB-UHFFFAOYSA-N 317.433 2.889 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1ccc3[nH]ccc3c1)CC2 257278812 ODTPONCZSRHAPJ-QGZVFWFLSA-N 300.402 2.674 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)cc1F 90745235 LEMHZMWVBHURLD-GOSISDBHSA-N 317.335 2.615 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n1 55999451 YDAVCRHGCQMBEK-QGZVFWFLSA-N 315.392 2.873 0 40 DFAB O=C(O)[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 62117848 XZLYCDVPNGEJGM-GFCCVEGCSA-N 301.367 2.962 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)n(C)n1 58331545 XJSYGFIXPVHJTO-GFCCVEGCSA-N 315.421 2.547 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC[C@@H]1CO 96003126 LJRFGNXIVZHXRQ-SECBINFHSA-N 320.723 2.930 0 40 DFAB CCC[C@@H](NCCCN1C(=O)COc2ccccc21)C1CC1 90105020 PKPCUXSLRWJBFM-OAHLLOKOSA-N 302.418 2.970 0 40 DFAB COc1cc2c(cc1OC)[C@@H]1CNC(=O)[C@H]1[C@H](c1ccccc1)C2 5121156 SAJGXCJTYSNGJN-BXWFABGCSA-N 323.392 2.873 0 40 DFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nccs3)c12 14815117 ICHRIXKDTMQCSR-UHFFFAOYSA-N 313.386 2.863 0 40 DFAB COc1ccc(Cl)cc1N=P12CN3CN(CN(C3)C1)C2 19328589 ISXOCQPNCWXWSC-UHFFFAOYSA-N 312.741 2.873 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1 19910511 VCSLEJVFYGGABU-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB CCOCCCNC(=O)C1CCN(C[C@H]2CC=CCC2)CC1 153177548 RRLQNWYGFCKYCW-INIZCTEOSA-N 308.466 2.598 0 40 DFAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1NC[C@H](C)O 148368 LMOARFCEOHTCRQ-NSHDSACASA-N 302.374 2.821 0 40 DFAB CCN1CC2(CCC1=O)CCN(C(=O)[C@]1(C)CC=CCC1)CC2 1565544981 BHSJXDCVHSITNV-GOSISDBHSA-N 318.461 2.984 0 40 DFAB Cc1nonc1-c1csc(NC(=O)c2ccc(F)cc2)n1 15082975 JYDVXFHOOXNDOC-UHFFFAOYSA-N 304.306 2.893 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H](COc3ncccn3)C2)c1 1775967811 AIJMNMXRQGNZIR-HNNXBMFYSA-N 311.385 2.716 0 40 DFAB COc1ccccc1CN1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 20035133 YJTGSVKWEQSXJG-HZPDHXFCSA-N 318.461 2.769 0 40 DFAB CC(C)n1ccnc1CN1CCC[C@H](CNC(=O)C2CCC2)C1 67789328 BRZRWZLCRQRGGZ-OAHLLOKOSA-N 318.465 2.592 0 40 DFAB COCc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2)no1 80449454 REIPUDNEXVUQAO-CQSZACIVSA-N 300.358 2.526 0 40 DFAB CC(C)COCCNC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12 71894072 TVWBNNNFYOUZLP-UHFFFAOYSA-N 322.792 2.584 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(Br)cc1F 69416622 SAUCIGMTDBPGEK-UHFFFAOYSA-N 319.174 2.824 0 40 DFAB CCOc1ncccc1CNC(=O)c1ccc(O)c(Cl)c1 31322709 OGYKSYOCRIWFCO-UHFFFAOYSA-N 306.749 2.769 0 40 DFAB O=S1(=O)CCC2=CC(C(F)(F)F)=CC(C(F)(F)F)=CN21 1609122 SPYVOADDHVSQOG-UHFFFAOYSA-N 319.226 2.854 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 40526642 BNFBREKCFJHFOF-GFCCVEGCSA-N 308.345 2.545 0 40 DFAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21 101359393 VYXBHRQTPIDEGY-XOUADPBQSA-N 323.348 2.643 0 40 DFAB O=C(N/C(=C\c1ccco1)C(=O)N1CCCC1)c1ccccc1 4954028 UPXGNBTWILBIJD-SSZFMOIBSA-N 310.353 2.673 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC(N2CCCCC2)CC1 4968970 LILQVIVCPYUAOT-CALCHBBNSA-N 321.509 2.726 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2CCCC2)cc1 6640089 SBFFPNGQGPBDRM-NSHDSACASA-N 318.373 2.705 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2ccccc2O)[C@H]1c1ccccc1 20731914 INBPXSDPSAWIJI-KBXCAEBGSA-N 324.380 2.940 0 40 DFAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccncc1 6787440 CXWZINKJINQVCE-SECBINFHSA-N 312.295 2.880 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 6956384 MLIBWYHBFHILJQ-UHFFFAOYSA-N 324.380 2.818 0 40 DFAB CC[C@H](C)NC(=O)c1ccc(I)cc1 341484 SYCLZHCJIGWBRZ-QMMMGPOBSA-N 303.143 2.820 0 40 DFAB CN1C(=O)[C@H](C(=O)O)[C@@H]2C[C@]1(c1ccccc1)Oc1ccccc12 102102642 DVGVIPQIDVPUIW-IDHHARJASA-N 323.348 2.579 0 40 DFAB NC(=O)[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 32771659 AJDPNFCDJUNWLT-INIZCTEOSA-N 309.369 2.674 0 40 DFAB CC(C)Cc1ccc([C@H](NS(=O)(=O)N(C)C)C(C)C)cc1 32804283 JXKJQLJSHFYNFE-MRXNPFEDSA-N 312.479 2.978 0 40 DFAB C[C@@H](NC(=O)c1nn2cccnc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102598694 QJKFDLJBQLZEKD-RHYQMDGZSA-N 318.808 2.937 0 40 DFAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 11917425 NELANHIFNVPZIE-UHFFFAOYSA-N 313.338 2.754 0 40 DFAB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)Cn3ccnc3)cc2c1 52749794 ILXYMJOYOSNSPI-ZDUSSCGKSA-N 308.385 2.867 0 40 DFAB COCCC(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1ccc(F)cc1 100113216 XEOKGPFIMLQSNR-XPKDYRNWSA-N 307.365 2.621 0 40 DFAB CCC[C@@H](NC(=O)c1nc2nccc(C)n2n1)c1ccccc1 22613229 HBUIAYZOVFEBFN-CQSZACIVSA-N 309.373 2.704 0 40 DFAB COc1ccccc1[C@@H](O)CNc1nccc(C(F)(F)F)n1 42109595 ZMCOLNGNFLTBGQ-JTQLQIEISA-N 313.279 2.650 0 40 DFAB C[C@@H](NC(=O)Nc1nccs1)c1ccc2c(c1)CC(=O)N2 47155238 YMKDCTUSYNYRDQ-MRVPVSSYSA-N 302.359 2.520 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@@H]1C(=O)NC1CC1 54988922 WYRMYQGJZKVYNN-MRXNPFEDSA-N 302.418 2.717 0 40 DFAB O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cccs1 24577495 PEWXAKVVZINPSI-UHFFFAOYSA-N 305.384 2.735 0 40 DFAB C[C@@H](C(=O)Nc1nc2c(s1)CCCCCC2)n1cncn1 55375696 VYQUKUTTXJYAEU-JTQLQIEISA-N 305.407 2.593 0 40 DFAB COc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1O 12599978 LCXBWQLLNMBOSN-LLVKDONJSA-N 300.310 2.829 0 40 DFAB Cc1ccccc1C1(CNC(=O)c2ccncc2)CCOCC1 55760528 ZENZWTRQAYHLJK-UHFFFAOYSA-N 310.397 2.868 0 40 DFAB CNc1snc(C)c1C(=O)Nc1ccc(N2CCCC2)cn1 25666992 JTSUSJLQMBJBGY-UHFFFAOYSA-N 317.418 2.741 0 40 DFAB CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccccc1 57997224 QAINFXVALLYVGY-UHFFFAOYSA-N 313.401 2.988 0 40 DFAB CCSCCOC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 58171322 OFQLDFDMQNMWDI-UHFFFAOYSA-N 324.402 2.513 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCCCc2ccccc21 48009400 ISRNECHORRRJIY-UHFFFAOYSA-N 306.387 2.823 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCOC(C)(C)C1 27640783 VYYFTMAJKZCOEW-UHFFFAOYSA-N 302.349 2.933 0 40 DFAB Cc1cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 44907459 BTZTXYIHYXURQQ-GFCCVEGCSA-N 308.403 2.580 0 40 DFAB COc1ccc(NC(=O)Cc2ccc(OC)cc2OC)cc1 8274681 JRSMVUKXWNLASP-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccccn2)CC1 13629227 AHVPNLMWVWISDW-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB Cc1oc(-c2ccco2)nc1Cn1c(-c2ccccn2)noc1=O 69349406 PCCOYOAYNGFLSI-UHFFFAOYSA-N 324.296 2.503 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2)c(F)c1 6113449 AXOWVQLUEXIWKB-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB CCN(Cc1c(F)cccc1F)C(=O)Cc1c(C)nn(C)c1C 69367105 JMLHSTKIXZLYTK-UHFFFAOYSA-N 321.371 2.906 0 40 DFAB C[C@@H]1CCc2c(C(=O)N[C@H](C)Cn3ccnc3)csc2C1 65408869 HISUIMGDFYZTLG-VXGBXAGGSA-N 303.431 2.888 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3oc(C)nc3c2)cc1 14140991 XCDOUBYXQUTTTK-UHFFFAOYSA-N 323.352 2.813 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nc(C)c(C)o2)n1 69624224 KDOYHOFPGOBKRB-HNNXBMFYSA-N 303.410 2.554 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC(Nc2cccnn2)CC1 69697675 PKJKJRFDTNGAJG-UHFFFAOYSA-N 321.384 2.675 0 40 DFAB O=C(Nn1c(S)nnc1-c1cccs1)c1ccccc1 8781562 GOMYMLBESFCFJM-UHFFFAOYSA-N 302.384 2.679 0 40 DFAB Cc1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1 5679733 RAFMQTIIBSDFPR-UHFFFAOYSA-N 313.353 2.516 0 40 DFAB CCN1CCCN(C(=O)c2ccccc2Br)CC1 69779591 VBOYIWKNNYKWJN-UHFFFAOYSA-N 311.223 2.617 0 40 DFAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NC1CCCC1 67012481 BTMOKUKNQGPGBE-QGZVFWFLSA-N 315.461 2.793 0 40 DFAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1CC1 71876836 MRDLGSNQHXQREH-UHFFFAOYSA-N 301.386 2.796 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1Cc1ccno1 71897023 NOJWSLWMOKWOHM-HNNXBMFYSA-N 321.327 2.946 0 40 DFAB Cc1ccc2nc(O)c(-c3noc(CCCC(=O)O)n3)cc2c1 22119597 BHKONWJPAUDCEQ-UHFFFAOYSA-N 313.313 2.706 0 40 DFAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2cccs2)CC1 71835133 BPHDIMWJTDMXDT-CABCVRRESA-N 316.426 2.789 0 40 DFAB CCCC12CN3CC(C)(CN(C1)C3c1ccc(F)cc1)C2=O 19322233 WUXBKZJHFITDDR-UHFFFAOYSA-N 302.393 2.831 0 40 DFAB Cc1ccc(-c2cc(C(=O)NCc3ccncc3)n[nH]2)c(O)c1C 9088498 DJPWNRUIAFTNHZ-UHFFFAOYSA-N 322.368 2.724 0 40 DFAB CN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCNC1 71310110 MTJAHHODMBTWKD-SECBINFHSA-N 317.614 2.536 0 40 DFAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)[C@H]1COc2ccccc21 89894435 GEFFEBOUVJHRAY-BXUZGUMPSA-N 307.353 2.857 0 40 DFAB Cc1nn(CCO)c(C)c1CN[C@@H](C)C(C)(C)c1ccccc1 71794750 GMQJWYLWCZRLLK-INIZCTEOSA-N 315.461 2.948 0 40 DFAB Cc1cc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 93920070 ZIXNCPKCFSSLKH-XHDPSFHLSA-N 318.446 2.555 0 40 DFAB COc1ccc2nc(C)nc(N3CCC(NC4CC4)CC3)c2c1 96489948 UZJDBPHEJDZFCH-UHFFFAOYSA-N 312.417 2.668 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(F)c(F)c1F 97095795 AFWDMRKTZXPWDK-CYBMUJFWSA-N 324.302 2.656 0 40 DFAB CCc1nc([C@@H](C)NCc2nnnn2-c2ccccc2)cs1 97112265 AOSFLXIGOWBLDU-LLVKDONJSA-N 314.418 2.532 0 40 DFAB Cc1cccc(C(=O)NCc2nnc(C)n2C2CC2)c1Cl 97113152 YNAWGIZEBCZMJZ-UHFFFAOYSA-N 304.781 2.813 0 40 DFAB CC(C)(C)c1nnnn1Cc1nn(-c2ccccc2)c2c1CCC2 84325451 ZTCNQVWFRPUZRD-UHFFFAOYSA-N 322.416 2.693 0 40 DFAB Cc1ccc(NC[C@H]2CCN(Cc3nnsc3Cl)C2)nc1 97200784 NHUXDHQFCJRNMA-LLVKDONJSA-N 323.853 2.829 0 40 DFAB COc1ccc(C(=O)Nc2ccncc2O)c(Br)c1 97237554 IAOBEPZVIASVDD-UHFFFAOYSA-N 323.146 2.811 0 40 DFAB CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 97463774 ZRTJQPKRMCFTAQ-UHFFFAOYSA-N 311.341 2.681 0 40 DFAB O[C@@H](CN1CCc2c(ncn2C2CC2)C1)c1ccc(F)c(F)c1 95373359 IFDPHNODJYWORQ-KRWDZBQOSA-N 319.355 2.588 0 40 DFAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Cn1cccn1 95431632 VBNNRNBPUAGAOL-MRVWCRGKSA-N 303.431 2.809 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C 95442923 XXXPAYAZSZGEHC-INIZCTEOSA-N 318.442 2.911 0 40 DFAB O=S1(=O)c2ccccc2[C@H]2CN(Cc3ccsc3)C[C@H]21 306136269 POJQZIQUVIWQTO-UKRRQHHQSA-N 305.424 2.503 0 40 DFAB COc1ccc([C@H](C)NC(=O)CCC2CCNCC2)cc1OC 95957709 NUTXPBOZCZDBOX-ZDUSSCGKSA-N 320.433 2.661 0 40 DFAB Clc1ccc(CN2CCO[C@@H](CNc3cccnn3)C2)s1 78894235 PEQZFROKINFNPM-NSHDSACASA-N 324.837 2.504 0 40 DFAB CCc1nc2c(s1)[C@@H](N(C)C(=O)c1csnn1)CCC2 89295754 BVHNEWLLCFDRIK-JTQLQIEISA-N 308.432 2.707 0 40 DFAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2n1C 79023978 JWHPHHFZLCMKKF-NSHDSACASA-N 323.352 2.590 0 40 DFAB COCCC(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 28305130 FXRITEKHGIMHSR-UHFFFAOYSA-N 311.744 2.699 0 40 DFAB CC(C)Oc1ccc(NC(=S)NC2CCN(C)CC2)cc1 63149464 DDWUSTHEDNLHDS-UHFFFAOYSA-N 307.463 2.854 0 40 DFAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)s1 72227353 QFRJJWMKCNYILH-NEPJUHHUSA-N 323.215 2.926 0 40 DFAB CSC[C@@H](C)C(=O)N1CCC(COc2ccccn2)CC1 73966975 FCVJGJZIJYCAJG-CYBMUJFWSA-N 308.447 2.698 0 40 DFAB Cc1nc(COc2ccc(C(=O)NC3(CF)CCC3)cc2)no1 564335195 RWNGGTQHGWHOIE-UHFFFAOYSA-N 319.336 2.579 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C)Cc1ccccc1 79415791 MAXBEYWPSYQWFY-KSZLIROESA-N 317.477 2.529 0 40 DFAB CCCCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 216237649 KDBFJIKTWVDXEI-UHFFFAOYSA-N 318.826 2.632 0 40 DFAB CO[C@@H]1C[C@@H]2C[C@@H](Nc3cccc(NS(C)(=O)=O)c3)C[C@@H]2C1 566850067 FSAJTGJDYVPCOH-RFLMZQSPSA-N 324.446 2.674 0 40 DFAB CN(C)c1ncc(NC(=O)c2ccccc2C(F)(F)F)cn1 75161703 QNSNYCXKOVMNNN-UHFFFAOYSA-N 310.279 2.814 0 40 DFAB Cc1cc(C(=O)NC2CCCCC2)nc([C@H]2CCCN(C)C2)n1 72365887 OYXCBIIJYHBSQW-AWEZNQCLSA-N 316.449 2.657 0 40 DFAB CC[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225573 RRHGLMRJQXYVKE-AWEZNQCLSA-N 320.437 2.549 0 40 DFAB Cc1ncsc1C(=O)N1Cc2ccccc2N(C)C[C@H]1C 81613688 MLQBCZUMPAFTQC-LLVKDONJSA-N 301.415 2.932 0 40 DFAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccco1 222949534 ZVJIOOGDFMIASN-UHFFFAOYSA-N 314.370 2.587 0 40 DFAB O=C(C[C@H]1CCCCO1)N1C[C@H]2CCCN2Cc2ccccc21 195537576 FXJGTPXAUKQLKC-IAGOWNOFSA-N 314.429 2.957 0 40 DFAB Cc1cccc(-c2noc(CNC(=O)Cc3cccs3)n2)c1 41152697 JYFYYSVMEAKFRZ-UHFFFAOYSA-N 313.382 2.965 0 40 DFAB COc1ccc(C)cc1NC(=O)c1coc(NC(=O)C2CC2)n1 75157945 HPYFIRYZLCEOAU-UHFFFAOYSA-N 315.329 2.592 0 40 DFAB CNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225880978 ZTUQHWAOISGETP-IUCAKERBSA-N 313.858 2.529 0 40 DFAB CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2cncc(C)c2)C1 225501730 HDSQKRKKNASJDZ-GOEBONIOSA-N 305.422 2.737 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)cnn1C 89338161 HDCMWZDTOFCBMD-CVEARBPZSA-N 307.438 2.832 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(F)cc1 224600114 KWUJWDBLDMPKMS-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ncoc2C)s1 92522164 LPJZFMCUXUKCNN-VIFPVBQESA-N 308.407 2.959 0 40 DFAB COc1nn(C)c2c1CCCN(C(=O)Nc1ccccc1C)C2 96254477 FQHKERQPWHFBGF-UHFFFAOYSA-N 314.389 2.717 0 40 DFAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96222156 TUMJZRGRRCNDCJ-XJKSGUPXSA-N 309.431 2.796 0 40 DFAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccncc2)N1c1ccccc1 96056622 WLLWKNIGDQSRAV-QZTJIDSGSA-N 307.397 2.852 0 40 DFAB COCc1cnc2n1CCN(Cc1ccc(OC)cc1)[C@@H]2C 96109524 NOBJURJLBTUROU-CYBMUJFWSA-N 301.390 2.615 0 40 DFAB C1CC(N2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)C1 96065065 ABBOZEKEHIORFO-RBUKOAKNSA-N 323.477 2.853 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 96434040 LXSQOZZGYXOPTM-CMPLNLGQSA-N 319.434 2.682 0 40 DFAB CN1C(=O)C[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 96181140 REPZYLPHNDMQMH-IUODEOHRSA-N 306.431 2.716 0 40 DFAB c1cncc(OC[C@@H]2COCCC23CCN(CC2CC2)CC3)c1 96218807 VJNSNGJESRDXJY-KRWDZBQOSA-N 316.445 2.989 0 40 DFAB O=C(NCCO)Nc1ccc(COCc2ccccc2)cc1 96435268 GCYOXOIQJSJPOU-UHFFFAOYSA-N 300.358 2.517 0 40 DFAB Cc1ncsc1COC(=O)c1ccc(-n2cncn2)c(F)c1 96441908 VLBQONUKOWIHBI-UHFFFAOYSA-N 318.333 2.528 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2ccnc2C(C)C)n1 257314287 UWFGEPDJSZYWTA-CQSZACIVSA-N 315.421 2.792 0 40 DFAB COc1ccc(CN2CC[C@@H](c3nccc(C)n3)C2)c(F)c1 257275658 NQHQWEMXLYZHSH-CQSZACIVSA-N 301.365 2.922 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(Cc2csc(C)n2)C1 257218393 DCZBTMWMPXFVEC-CYBMUJFWSA-N 317.462 2.738 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCO[C@H]1C(C)C 252581663 JYXQLKBSOCVLEA-FQUUOJAGSA-N 300.468 2.631 0 40 DFAB c1cc(C[C@H]2COCCN(Cc3cc[nH]n3)C2)c2ccoc2c1 257250142 JLERAVUJCWPODK-CQSZACIVSA-N 311.385 2.847 0 40 DFAB CN1C(=O)CCC[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@H]21 257306873 SWIYSJPTDUWMIX-SWLSCSKDSA-N 320.820 2.813 0 40 DFAB COC1CCC(N(C)C(=O)CC[C@H](N)c2ccccc2)CC1 252498551 RENWHAWWJDRNDP-JCYILVPMSA-N 304.434 2.883 0 40 DFAB CN1CCN(C(=O)NCCCc2ccccc2)C2(CCCC2)C1 85558096 QAFJTSJAYDPGMM-UHFFFAOYSA-N 315.461 2.889 0 40 DFAB CCN(CC)C(=O)c1ccccc1NC(=O)NCC(F)(F)F 299146603 QXLFBFAOZMXAJP-UHFFFAOYSA-N 317.311 2.852 0 40 DFAB CC(C)CC(=O)N1CC2(CC[C@@H](CN3CCCCC3)CO2)C1 575406883 WZWWLPNDKJGWMF-INIZCTEOSA-N 308.466 2.526 0 40 DFAB C=CC(=O)N1CC[C@@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 585292631 PVBIEOSJKMDPJM-CQSZACIVSA-N 323.400 2.734 0 40 DFAB O=C(/C=C/c1ccccn1)Nc1cccc(Cn2cccn2)c1 55297838 LIQMQFDJGBBGKO-CMDGGOBGSA-N 304.353 2.978 0 40 DFAB Cc1csc([C@@H]2CN(c3ncnc4ccccc34)CCO2)n1 65463525 DLTMWEQBWNTOCJ-AWEZNQCLSA-N 312.398 2.973 0 40 DFAB CCOc1ccc2c(c1)CN(c1cc(=O)n3ccccc3n1)CC2 63992429 ZTAMGXOEJXMRJS-UHFFFAOYSA-N 321.380 2.656 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CCc1ccc(F)cc1F)C(=O)O 95749178 VIAQJZIBBDDLGW-GFCCVEGCSA-N 315.316 2.875 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc(OCC(=O)O)cc1 19815959 YTEPJSDZWJIEGM-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 205414238 CDPJLNYCMMNHRZ-LAKHIVPPSA-N 324.446 2.607 0 40 DFAB CC(=O)c1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 25284940 NEWYVECYIRUPJC-FQEVSTJZSA-N 324.424 2.745 0 40 DFAB COc1ccc(CNC2CCOCC2)cc1Br 37269423 CGGXXESGMFNAFN-UHFFFAOYSA-N 300.196 2.726 0 40 DFAB CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C 4144294 HASOENNPAAJAEN-AWEZNQCLSA-N 320.414 2.529 0 40 DFAB C[C@]1(C(=O)N2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC=CCC1 2055837491 NAFNKFIPSVULIS-NZSAHSFTSA-N 319.445 2.919 0 40 DFAB O=Cc1ccccc1OCCN1CCN(Cc2ccccc2)CC1 20131608 DDZBYUUGEXTCMU-UHFFFAOYSA-N 324.424 2.696 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1 618255471 DBGUHFRIZBUGPY-UHFFFAOYSA-N 310.401 2.711 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C(=O)NC2(CCC2)C1=O 96402738 LLYZVQYEFQKOSM-UHFFFAOYSA-N 311.341 2.625 0 40 DFAB C[C@@H]1CCCCN1CCNC(=O)N1CCc2sccc2C1 40145624 PQYBNFHXYOPXSO-CYBMUJFWSA-N 307.463 2.690 0 40 DFAB Cc1nc(CNC(=O)N[C@H](C)CCc2ccc(O)cc2)cs1 45325911 HPWIWQOXHVJPAO-LLVKDONJSA-N 319.430 2.978 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N1C[C@@H](C)OC[C@@H]1C 45445785 FBXVJDJYMJXFOA-NWDGAFQWSA-N 300.358 2.899 0 40 DFAB O=C(NCc1ccccc1)N1CCC[C@H]1c1nnc2ccccn12 40468473 OZRGJDRMWYKELP-HNNXBMFYSA-N 321.384 2.776 0 40 DFAB Cc1ccccc1NCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 100571182 YQPFKHWXSHHUGF-CHWSQXEVSA-N 304.777 2.882 0 40 DFAB CCOC(=O)c1c[nH]c2cc(-c3ccc(Cl)cc3)nn2c1=O 100559410 ABQYAMGZFCKNNA-UHFFFAOYSA-N 317.732 2.520 0 40 DFAB Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc1C 31687453 YJPYMYZTAFATNZ-UHFFFAOYSA-N 318.398 2.556 0 40 DFAB CCN(Cc1ccc(C(=O)NCc2cc[nH]n2)cc1)C(C)C 71853758 DFIMSCYRZCEDTR-UHFFFAOYSA-N 300.406 2.570 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cccc(CN2CCOC2=O)c1 40539524 FIBYRVJSDSJOAS-CYBMUJFWSA-N 300.358 2.934 0 40 DFAB CCOC[C@H]1CCC[C@]12CN(C(=O)c1cc(C)oc1C)CCO2 107194447 YXOKRIQPAPMIGS-QAPCUYQASA-N 321.417 2.944 0 40 DFAB CCC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 60373011 ZIFDLCDJILWQEX-SFHVURJKSA-N 310.353 2.586 0 40 DFAB NC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCC2 2652042 DCXPHSZGIVQNHS-UHFFFAOYSA-N 306.412 2.578 0 40 DFAB CC[C@H](Nc1ccc(OC)cc1OC)C(=O)Nc1nccs1 7467664 AZNUJHXKYWXBQH-NSHDSACASA-N 321.402 2.990 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)c(C)c1 69899892 GYLHRBTYGBVCTG-AWEZNQCLSA-N 306.431 2.799 0 40 DFAB COCCNC(=O)c1ccccc1NC(=O)NC1CCCCC1 10673284 WEXAZWBLRBYBMP-UHFFFAOYSA-N 319.405 2.517 0 40 DFAB COc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)c1 345763 YFBNHCLSKKNWGJ-HOTGVXAUSA-N 311.337 2.938 0 40 DFAB C[C@@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)NC(C)(C)C 32771700 LAHGNSGCFHMVRS-SNVBAGLBSA-N 321.396 2.889 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NCc1ccc(Cl)cc1 9232636 DYXSJCZXEUNIAT-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc2c(c1)OCCO2 32862792 UGEUBJFXMANWBW-HIFRSBDPSA-N 318.417 2.878 0 40 DFAB CC(=O)NCc1ccc(-c2csc(CC(=O)OC(C)C)n2)o1 32913469 NPCJBCGQVNHIDU-UHFFFAOYSA-N 322.386 2.533 0 40 DFAB C[C@H]1Cn2c(nc3sc4c(c3c2=O)CC(C)(C)OC4)S1 523395 YYOBUGYTYVXISZ-ZETCQYMHSA-N 308.428 2.804 0 40 DFAB O=C(CCc1ccccn1)N1CCC([C@H](O)c2ccccc2)CC1 71842090 SIYJGNGNTQGUIS-HXUWFJFHSA-N 324.424 2.986 0 40 DFAB COc1ccccc1NC(=O)CCNC(=O)NC1CCCCC1 25444324 GQTIRHQJSAORQL-UHFFFAOYSA-N 319.405 2.656 0 40 DFAB Cc1cc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)n(C)n1 75141049 DPVGYKDEFAQQPU-UHFFFAOYSA-N 322.409 2.505 0 40 DFAB Cc1cccn2cc(COC(=O)c3n[nH]c4ccccc34)nc12 12547195 DQDVQBSCQMGTRM-UHFFFAOYSA-N 306.325 2.876 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)Cc2ccccc2)CC1 100177596 OBOLWGRFFHJTPT-KSZLIROESA-N 317.477 2.529 0 40 DFAB Cc1cc(N2CC[C@H](N[C@H](c3ccccc3)C3CC3)C2=O)n(C)n1 104361732 SGHHDLSNKBWEOI-FUHWJXTLSA-N 324.428 2.575 0 40 DFAB O=C(COC(=O)c1cc(F)ccc1F)NCc1ccc(F)cc1 57472331 JYAYIFMGHPTNLK-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB Ic1ccc(CO[C@@H]2CCCNC2)cc1 42782964 HUZAWMFKVFEKJX-GFCCVEGCSA-N 317.170 2.560 0 40 DFAB COc1ccccc1OC(=O)c1cn(Cc2ccccc2)nn1 24261175 WKSCIWNKRMPFIR-UHFFFAOYSA-N 309.325 2.554 0 40 DFAB Cc1c(O)ccc2c(CNc3cccc(C(N)=O)c3)cc(=O)oc12 43303807 GWGGZQHXWHTMHP-UHFFFAOYSA-N 324.336 2.518 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nccc(=O)[nH]1 8671886 LIGHJLLRNYIDSK-FRRDWIJNSA-N 324.446 2.866 0 40 DFAB CN1CCN(Cc2cccc(C(=O)c3ccc(F)cc3)c2)CC1 22028016 SONBNFIQRJGAPZ-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB CCN1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 23467927 LQPYMGCSFYMXRP-UHFFFAOYSA-N 323.440 2.930 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCO1 44308868 WOPHHDKHSWRUCA-JTQLQIEISA-N 301.346 2.958 0 40 DFAB Cc1ccn2cc(C(=O)N[C@@H](C)[C@@H]3COc4ccccc43)nc2c1 89700877 UCDKWXVNOVMGGB-ZFWWWQNUSA-N 321.380 2.937 0 40 DFAB COc1ccc(CN(C)C(=O)[C@H](N)Cc2ccccc2)cc1C 57657268 NQMSHBWBLNQKOY-QGZVFWFLSA-N 312.413 2.532 0 40 DFAB CCOCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 57624273 GSZXJUHIWUXRLW-UHFFFAOYSA-N 317.355 2.649 0 40 DFAB Cc1nnc(SCC2=NN(c3ccccc3)C(=O)C2)s1 10157324 WJEBYYSSXRHNOJ-UHFFFAOYSA-N 304.400 2.732 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)n(C)n1 58213417 ZFUKFIGIOSUPOX-JTQLQIEISA-N 322.206 2.982 0 40 DFAB Cc1cc([C@H]2CCCN2CCS(=O)(=O)c2ccccc2)on1 44975698 JKBLPJZDLIJKSE-OAHLLOKOSA-N 320.414 2.594 0 40 DFAB COc1ncccc1CNC(=O)N1CCCc2cc(F)ccc21 48230492 TZEDNRPXLABGCB-UHFFFAOYSA-N 315.348 2.892 0 40 DFAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)cc1 48230762 BCUHILDGMRYCDM-LBPRGKRZSA-N 315.398 2.583 0 40 DFAB O=C1NCCN(C(=O)C2CCCC2)[C@@H]1c1ccccc1Cl 62689389 KXYYVVNYCVGBII-CQSZACIVSA-N 306.793 2.530 0 40 DFAB CC(=O)COC(=O)/C=C/c1cc(Br)ccc1F 7779571 NCUKPHRZACSEBP-GORDUTHDSA-N 301.111 2.734 0 40 DFAB O=C(O)c1cccc(-c2ccc(CNC[C@H]3CCCO3)o2)c1 13730331 IJKRJPGPISTCFD-CQSZACIVSA-N 301.342 2.913 0 40 DFAB O=c1cc(CN2CC[C@H]3CCCC[C@@H]3C2)nc2sccn12 8266466 HYHOMFJLXLXICI-CHWSQXEVSA-N 303.431 2.768 0 40 DFAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)N1 13896139 IDZFYCGGOJQDOB-DHDCSXOGSA-N 312.300 2.585 0 40 DFAB COCCc1noc(CN[C@@H](c2ccc(F)cc2)C(C)C)n1 65535891 IJGOTMOMIBAYOC-MRXNPFEDSA-N 307.369 2.885 0 40 DFAB CCC[C@H](C)CC(=O)NC1CCN(C(=O)c2ccncc2)CC1 69326225 CDIBVAVFIGVZON-AWEZNQCLSA-N 317.433 2.629 0 40 DFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2)c1 14123134 KVZZZQAWQQOSPY-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1F 6538013 HQMISIJVOVIDEM-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CC(C)c1ccccc1NC(=O)CSc1nnc(N)s1 4680766 LVFJHQQKKQTAIM-UHFFFAOYSA-N 308.432 2.975 0 40 DFAB COc1ccc(F)cc1COC(=O)c1ccc2c(c1)OCO2 6609367 PKGVZIPVUUILRB-UHFFFAOYSA-N 304.273 2.920 0 40 DFAB CCCCn1nnnc1CSc1nc2ccc(OC)cc2[nH]1 6649943 WFNPGIODWSVIJW-UHFFFAOYSA-N 318.406 2.650 0 40 DFAB COc1cc(NC(=O)CCN2CCC(C)CC2)cc(OC)c1 4744623 GHAZHQQOEKISSO-UHFFFAOYSA-N 306.406 2.764 0 40 DFAB CCCc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 5979142 QRMPMOXNOWNQCM-UHFFFAOYSA-N 318.398 2.539 0 40 DFAB Cc1cc(-n2cc(C(=O)NC3CCCCC3)nn2)ccc1F 67261946 OXNPKWQRVDHYPA-UHFFFAOYSA-N 302.353 2.777 0 40 DFAB CN(C)c1ncccc1NC(=O)c1ccc(-n2cccc2)nc1 83854174 VDTNGVUIWJXHIG-UHFFFAOYSA-N 307.357 2.586 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 71279853 HEJPDAAGIWXFNE-NXEZZACHSA-N 317.263 2.881 0 40 DFAB CC(C)C[C@@H](C)n1nccc1NC(=O)COC[C@@H]1CCCO1 71904427 CZIFRTDQKDVAMK-KGLIPLIRSA-N 309.410 2.624 0 40 DFAB CCOC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 71909002 GZPHUAOCUMROSV-QGZVFWFLSA-N 320.408 2.822 0 40 DFAB C[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccccc12 19703432 BVTYYZQREOKDJA-WLRWDXFRSA-N 303.365 2.898 0 40 DFAB biogenic C[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1 83648936 DYKVXIVPUHQEJM-STQMWFEESA-N 300.468 2.871 0 40 DFAB Cc1c(C(=O)/N=c2/sccn2C)[nH]c2c1C(=O)CC(C)(C)C2 22900129 NELQRZRUUJUWHX-OBGWFSINSA-N 317.414 2.619 0 40 DFAB c1cc(N2CCCN(C3CCOCC3)CC2)c2sccc2n1 78294907 RNCLRLHCPAQRAG-UHFFFAOYSA-N 317.458 2.987 0 40 DFAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)N[C@H](CO)c1ccccc1 97048203 BDTBFQUWLQJFPV-OKZBNKHCSA-N 310.397 2.823 0 40 DFAB C[C@@H](C(=O)N[C@H](C)c1csc2ccccc12)n1cncn1 95381552 NKCMGXNHWOJBFR-MNOVXSKESA-N 300.387 2.931 0 40 DFAB COC(=O)N1CCC[C@H](N[C@@H]2CCc3c(OC)cccc32)C1 95421608 ORXAZTRQLIBEOF-SWLSCSKDSA-N 304.390 2.503 0 40 DFAB O=C(NC[C@H]1OCCc2sccc21)N1C[C@H]2CCC[C@H]2C1 95410604 YEFSOWQYBYMXSW-MBNYWOFBSA-N 306.431 2.803 0 40 DFAB O=C(N[C@H](CO)c1ccccc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 95994449 QBNQOMCVOUOEIV-JKIFEVAISA-N 317.335 2.918 0 40 DFAB Cc1cc2nc(NC[C@@H](O)C(F)(F)F)c3ccccc3n2n1 26704190 DAPYKTDLOCADCP-LLVKDONJSA-N 310.279 2.526 0 40 DFAB CCOCc1c(I)cnn1[C@H](C)CC 408717087 VQDQNXICKOWKHP-MRVPVSSYSA-N 308.163 2.995 0 40 DFAB Cc1ccncc1CN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1 1009914073 VZGQOKXZEYBITC-QGZVFWFLSA-N 313.376 2.533 0 40 DFAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(C)C2=O)cc1OCC 409194761 QPUHNKYEWXMEKL-IZZDOVSWSA-N 324.764 2.660 0 40 DFAB Cn1cc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cn1 78655931 XYYBIWNYHCVSIF-GJZGRUSLSA-N 303.793 2.536 0 40 DFAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccn2)n1 72322166 RRAGCCNIICZLBA-AWEZNQCLSA-N 301.390 2.941 0 40 DFAB biogenic,in-vitro O=C(c1ccc(=O)[nH]c1)N1CCS[C@@H](c2cccs2)CC1 219461989 SCRGICZIXDZJEL-CYBMUJFWSA-N 320.439 2.757 0 40 DFAB Cc1ccc(NC(=O)CNc2cccc(C(N)=O)c2C)c(C)c1 32913394 IIWMDKWUONLLHL-UHFFFAOYSA-N 311.385 2.761 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccccc2Br)[C@H]1CN 70176633 PPDGWHQKEQHGFJ-GWCFXTLKSA-N 311.223 2.649 0 40 DFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCc2cncn2C1 565035407 NXHFUCZVPWWVNK-NSHDSACASA-N 321.783 2.897 0 40 DFAB COCc1nc2ccc(NC(=O)c3cccc(OC)c3)cc2[nH]1 44917626 XNMBWDPSVQCHPH-UHFFFAOYSA-N 311.341 2.970 0 40 DFAB O=S1(=O)CCCN1Cc1cccc(-c2ccc(O)cc2)c1 521398324 NLXVQMYIUIRRSS-UHFFFAOYSA-N 303.383 2.595 0 40 DFAB Fc1cccnc1N1CCN(c2ncnc3ccsc23)CC1 84487681 ZUWMMDKPYVMTGT-UHFFFAOYSA-N 315.377 2.552 0 40 DFAB C[C@@H]1CCn2ncc(C(=O)N3CCc4cc(F)c(F)cc43)c2C1 570684282 AUSMIXNXOISHPO-SNVBAGLBSA-N 317.339 2.947 0 40 DFAB COc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1C 225828434 GPPMHBYVOGDVDY-UHFFFAOYSA-N 312.369 2.674 0 40 DFAB Cc1nn2c(c1-c1ccc(F)cc1)NN=C1C2=CC=NN=C1O 40392034 XBRMUNJXIAEYOA-UHFFFAOYSA-N 310.292 2.576 0 40 DFAB Cc1nc([C@@H](N[C@@H]2CCCOC2)c2ccc(Cl)cc2)no1 96494964 ZTLDXUQIBVSENL-KGLIPLIRSA-N 307.781 2.889 0 40 DFAB O=C(Nc1ccc(F)cn1)[C@@H]1CCCCN1Cc1cccnc1 96410045 XZXGNIZZBGMNNC-HNNXBMFYSA-N 314.364 2.609 0 40 DFAB COCC[C@H]1COC2(CCN(C(=O)c3ccccc3)CC2)C1 96072986 IMFMEXQTDJAKDV-OAHLLOKOSA-N 303.402 2.734 0 40 DFAB c1cc(CN(C[C@H]2CCOC2)C2CC2)c2c(c1)OCCCO2 96489693 SNWZEHKHLHFTMC-CQSZACIVSA-N 303.402 2.849 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2c1cccc(F)c1 97105546 UOWKBXCHHNLURH-HNNXBMFYSA-N 308.316 2.725 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)Nc2ccnc3ccnn23)ccn1 96494678 HGRVYVMCGYEMES-LLVKDONJSA-N 311.345 2.554 0 40 DFAB O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1ccccn1 96239155 ASRXGKWEWKRWIL-KRWDZBQOSA-N 313.426 2.772 0 40 DFAB CC(C)n1ccc(CNCc2cnn(CC(F)(F)F)c2)n1 256052859 OYLFXVDTMQLXHY-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257260562 LDKAJZDUXFNJQF-QGZVFWFLSA-N 309.413 2.994 0 40 DFAB COC(=O)[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)C1 255188974 MWSBKJHTPNMHSX-IGQOVBAYSA-N 310.390 2.514 0 40 DFAB COc1c(F)ccc(F)c1C(=O)N1C[C@H](C)Oc2ncccc21 252507919 WXABBJINLPIVRD-VIFPVBQESA-N 320.295 2.796 0 40 DFAB O=C(c1cc(F)ccc1F)N1CCO[C@H](c2ccncc2)C1 257271906 NAHFXQYEYZYXOC-HNNXBMFYSA-N 304.296 2.574 0 40 DFAB O=S(=O)(NCc1nc(-c2ccccc2)c[nH]1)c1cccs1 85557905 ILMXNKPUYRFXTG-UHFFFAOYSA-N 319.411 2.617 0 40 DFAB Cc1cccc(C(=O)N2CC[C@H](c3ncn4ccsc34)C2)n1 585182562 RSJZGJHGBIERIV-LBPRGKRZSA-N 312.398 2.729 0 40 DFAB COCCCn1c(C)cc(C(=O)CSc2nccn2C)c1C 60653991 OGRLZTUFGGXBJV-UHFFFAOYSA-N 321.446 2.850 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)n1 72279969 FIGCEWGSZOOAJR-RDJZCZTQSA-N 319.449 2.696 0 40 DFAB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CC(N)=O)cc1 96407162 NTWIYYPKSKLLLW-WWGRRREGSA-N 318.417 2.637 0 40 DFAB COC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 581244 FOCUMTKYARDYPH-HNNXBMFYSA-N 317.366 2.840 0 40 DFAB CC(C)(C)SC[C@H](NC(=O)OCc1ccccc1)C(=O)O 5714532 VZQPQMYTSLCEFW-LBPRGKRZSA-N 311.403 2.898 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCc1ccccc1 5411758 XJYDMHXBTRSVRC-IRXDYDNUSA-N 302.418 2.588 0 40 DFAB biogenic,in-vitro C[C@@H]1CCc2c(sc3ncn([C@@H]4CCCNC4)c(=O)c23)C1 13566377 MOXMAAUBTIDSMX-GHMZBOCLSA-N 303.431 2.507 0 40 DFAB C[C@@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CN(C)C)ccc2O1 19497949 WQZVCCYENPAXON-CZUORRHYSA-N 302.418 2.566 0 40 DFAB CC(C)(C)OC(=O)CCN1CCN(Cc2ccccc2)CC1 19850187 WXWDBUNINTTZPL-UHFFFAOYSA-N 304.434 2.536 0 40 DFAB Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)nc(C2CC2)n1 1889091551 AXXDQHRZJVGTMP-UHFFFAOYSA-N 303.797 2.649 0 40 DFAB c1cnc(OCC2CCN(c3nnc(C4CC4)s3)CC2)cn1 1889091906 MMVBIGGZMPSFIL-UHFFFAOYSA-N 317.418 2.501 0 40 DFAB O=C(O)c1ccc(F)c(NS(=O)(=O)/C=C/c2ccccc2)c1 24432860 CXIAYRCVANQFEV-CMDGGOBGSA-N 321.329 2.937 0 40 DFAB O=C(c1ccoc1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238811508 AKOPXEUBMBYOBW-ZDUSSCGKSA-N 309.325 2.959 0 40 DFAB Cc1nnc(CNC(=O)c2csc(Nc3ccccc3)n2)o1 36709062 RXMCQOYQRFNWRM-UHFFFAOYSA-N 315.358 2.508 0 40 DFAB Cn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2ccccc21 38487445 BHIDNQPOVMNMQT-UHFFFAOYSA-N 304.309 2.651 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cccc(O)c1)N2 30540707 RLDXBCVRPAXGRS-MRXNPFEDSA-N 314.341 2.606 0 40 DFAB COc1c(C)cnc(CNC(=O)Cc2ccc(F)cc2)c1C 50449244 IEBJIKGACKIOKO-UHFFFAOYSA-N 302.349 2.705 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)c2ccccc2OC)cc1 31098259 CIUMFMYLBJYXQZ-HNNXBMFYSA-N 316.357 2.559 0 40 DFAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccco2)cc1 173281 BKGVNTNREZYTSI-CYBMUJFWSA-N 303.314 2.624 0 40 DFAB COCc1nnc(NC(=O)COc2cccc(C(C)C)c2)s1 148508 ZQNKRXSECMVCTD-UHFFFAOYSA-N 321.402 2.825 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1nc2nc(C)cc(C)n2n1 40457556 BRUBGWAQZSEBNH-UHFFFAOYSA-N 321.384 2.643 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cs1 28655810 NOLBIZAKCBXTMX-AOOOYVTPSA-N 305.403 2.696 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H]1CCOC1=O 7618782 WQXFCWBUIKDYNP-NSHDSACASA-N 303.339 2.591 0 40 DFAB Cc1occc1C(=O)N[C@@H](c1ccccc1F)c1nccn1C 29086832 PJDRMUCBSDKALN-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB O=C(NCCCn1cccn1)N1CCC[C@@H]1c1cccs1 45715808 DGFHGLCBQLAWLV-CYBMUJFWSA-N 304.419 2.881 0 40 DFAB C[C@@H](O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405628 IQZCUUWEXNFWMM-SVRRBLITSA-N 323.702 2.691 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1ccccc1F)CC(C)C 31705881 FXKNLFFSYPNSGN-GFCCVEGCSA-N 310.369 2.716 0 40 DFAB O=C(c1ccnc2ccccc12)N1CCC[C@@H](N2CCCC2)C1 69812393 KVIVHLOTMASDKV-OAHLLOKOSA-N 309.413 2.935 0 40 DFAB O[C@H](CN1CCN(c2ccccc2F)CC1)c1cccc(F)c1 51087440 KARKYVSBLXDANH-GOSISDBHSA-N 318.367 2.820 0 40 DFAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)O)n12 4171154 JVSDDGJCFODVJQ-UHFFFAOYSA-N 301.371 2.984 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cn(C)nc2-c2ccncc2)c1 69463592 QZBDJMNHGSVPOS-CABCVRRESA-N 324.432 2.726 0 40 DFAB CC[C@@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29316512 ZWVLQBVMFOIRNH-MRVPVSSYSA-N 304.799 2.696 0 40 DFAB CCOC(=O)COc1ccc2oc(C)c(C(=O)OCC)c2c1 407154 AWZZJJPSLWIYID-UHFFFAOYSA-N 306.314 2.860 0 40 DFAB CCc1nc(NCCc2ccccn2)c2c(n1)c(C)nn2CC 57355817 ZTMDOCCRKZPAHX-UHFFFAOYSA-N 310.405 2.767 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1Cc1ccccc1 32901229 DCBCVMBYWRDQEY-INIZCTEOSA-N 312.417 2.672 0 40 DFAB Cc1ccc(OCC(=O)NCC2(N(C)C)CCCCC2)cc1 11916193 XOKUCHSXMITDLY-UHFFFAOYSA-N 304.434 2.755 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 506344 ZJRYRYMDBQQMLB-SSDOTTSWSA-N 323.443 2.663 0 40 DFAB C[C@H](NC(=O)N(C)[C@H]1CCCc2ccccc21)c1nncn1C 46962579 UMLYWPCRDNDQKB-WFASDCNBSA-N 313.405 2.595 0 40 DFAB Cc1cc(O)c2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2n1 12323470 CQVAPAWYLMVWRF-UHFFFAOYSA-N 321.336 2.600 0 40 DFAB COc1cc(C)c([C@H](C)NC(=O)C[C@H]2CCCO2)cc1OC 47109985 CUZNIRQLQIYDCI-QWHCGFSZSA-N 307.390 2.759 0 40 DFAB Cc1ccc2ncn(Cc3noc(-c4cccs4)n3)c(=O)c2c1 47369491 FKUFNIBHNMUOMH-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB Cc1sc2ncn(CCC(=O)O)c(=O)c2c1-c1ccccc1 7994969 SLWZQEHHBRTBMK-UHFFFAOYSA-N 314.366 2.908 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O 57279893 DRRMDIOYKMTUNQ-PXAZEXFGSA-N 318.442 2.915 0 40 DFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NC1CCCCCCC1)CS2 22962134 RWNQSDUJXQPCTE-CZUORRHYSA-N 310.463 2.670 0 40 DFAB CC(C)CCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1 3068350 MWEDZPMQLDSZEG-HNNXBMFYSA-N 307.390 2.951 0 40 DFAB Cc1cccc(C2(C(=O)N3CC[C@H](C(N)=O)C3)CCCCC2)c1 71821080 RKOVHPKFXUSTEA-HNNXBMFYSA-N 314.429 2.531 0 40 DFAB Cc1ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc1F 24285262 GDBVMANFQRWGIA-UHFFFAOYSA-N 310.369 2.665 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N[C@H]1CCCc2[nH]c(=O)ccc21 43056158 ZHJCPBXFLNQITL-SFHVURJKSA-N 322.408 2.600 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccccc3Cl)no2)C[C@@H](C)O1 16333219 PTJSGBQLSXEIMD-PHIMTYICSA-N 307.781 2.999 0 40 DFAB CCn1c(O)c(C(=O)Nc2ncccc2C)c(=O)c2ccccc21 1246859 KLLYIRSESIILET-UHFFFAOYSA-N 323.352 2.683 0 40 DFAB Cc1cccc([C@H]2CCCCN2C(=O)CNC(=O)C2CC2)c1C 81323012 SUJCOWGHMAGURC-QGZVFWFLSA-N 314.429 2.883 0 40 DFAB CCn1nnnc1SCc1coc(-c2cccc(F)c2)n1 26114944 NJUQWCYOWVQQPU-UHFFFAOYSA-N 305.338 2.779 0 40 DFAB CC(C)C[C@H](NC(=O)N[C@H](C)CCc1ccccc1)C(=O)O 2104227 IEHHJSCMIJOMGJ-HIFRSBDPSA-N 306.406 2.806 0 40 DFAB biogenic C[C@H](CNC(=O)[C@H](C)COCc1ccccc1)CN1CCCC1 58290910 HVUJREHXZOKNOB-IAGOWNOFSA-N 318.461 2.687 0 40 DFAB CCC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 58291136 LZZLXRMLVWQNND-UHFFFAOYSA-N 308.359 2.825 0 40 DFAB Cc1nc(CCNC(=O)COc2cccc(C)c2C)cs1 27793724 NEYOTMOFFJFCFM-UHFFFAOYSA-N 304.415 2.806 0 40 DFAB COc1ccc(C)cc1NC(=O)c1cn(Cc2ccccc2)nn1 12782743 BVPZZPXLQQSWJG-UHFFFAOYSA-N 322.368 2.896 0 40 DFAB CC(C)(C)c1cnc(CN2CCN(c3nccs3)CC2)o1 48251668 ODOKSFKTESDGQU-UHFFFAOYSA-N 306.435 2.751 0 40 DFAB CNC(=O)NCC(=O)c1cc(C)n(CCc2cccs2)c1C 48333900 YATUGDVSGIQKQT-UHFFFAOYSA-N 319.430 2.521 0 40 DFAB Cc1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1 12821196 JXHZDNCVZQCJFH-UHFFFAOYSA-N 313.382 2.795 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 12893432 WZYJYYXCQKYJHN-UHFFFAOYSA-N 309.321 2.983 0 40 DFAB biogenic O=C(Nc1cc(F)cc(F)c1)c1ccc(-n2cncn2)cc1 12981478 UQJJGRKYPFGPRE-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O 8470775 KOUIJWMOWDRAQF-UHFFFAOYSA-N 320.364 2.705 0 40 DFAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](n2cccn2)C1 69348493 ZUWNKMIRWISKIZ-QGZVFWFLSA-N 321.384 2.546 0 40 DFAB COc1ccc(CNC(=O)N2CCCC[C@@H]2C)c(OC)c1OC 69393022 XTXKGQGEFXMARE-LBPRGKRZSA-N 322.405 2.796 0 40 DFAB COCc1noc([C@H]2CCCCN2C(=O)c2ccsc2)n1 65286393 AFGWCGWWRUWQKF-LLVKDONJSA-N 307.375 2.645 0 40 DFAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)c1ccc2[nH]cnc2c1 69537466 ZKYVGLRMGWYWNE-HIFRSBDPSA-N 307.353 2.857 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCC[C@H](C)c1ccccc1 69561201 CDBRMDJBQBZKRM-GJZGRUSLSA-N 300.406 2.765 0 40 DFAB CC(C)NC(=O)N(Cc1cccc(O)c1)C1CCC(O)CC1 69968493 SODOBKDNQDKNSK-UHFFFAOYSA-N 306.406 2.616 0 40 DFAB O=C(CCCOc1ccccc1)N1CCC[C@@H]1Cn1cccn1 69968119 CHGLGKLWXKXUHN-MRXNPFEDSA-N 313.401 2.733 0 40 DFAB COc1ccc(NC(=O)c2ccc(CN(C)OC)cc2)cc1 8777321 UKOXRPOFPWTGOT-UHFFFAOYSA-N 300.358 2.941 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)s1 69775152 AZOSJMJSMBZVFX-UHFFFAOYSA-N 320.399 2.642 0 40 DFAB CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 67366467 HHDVVHKXHHXTHM-HNNXBMFYSA-N 316.445 2.972 0 40 DFAB C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1 69778823 MLLQHKXCKVODJJ-BXUZGUMPSA-N 302.340 2.687 0 40 DFAB Cc1cccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 21057019 VELXXQKHEYIBHD-GJZGRUSLSA-N 304.434 2.613 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 8776323 IWOBBWNWVFGKOW-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CCc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n[nH]1 83820327 BJQFDZSNUGHUMQ-UHFFFAOYSA-N 317.773 2.874 0 40 DFAB CC[C@H]1CN(CCCOc2cccc(C)c2)CCN1C[C@@H](C)O 75132868 JJJBZZHCQCYHHG-MSOLQXFVSA-N 320.477 2.541 0 40 DFAB c1ccc(Cn2ccnc2SCc2nnc(C3CC3)o2)nc1 71903291 SWNYOVJWVFBZAG-UHFFFAOYSA-N 313.386 2.879 0 40 DFAB CC[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 71902463 HJQJGBCSZMAWPL-INIZCTEOSA-N 310.401 2.581 0 40 DFAB CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1 71902465 UWGORMMTEDMKTP-KRWDZBQOSA-N 318.442 2.836 0 40 DFAB Cc1cnccc1CCNC(=O)Nc1ccn(-c2ccccc2)n1 89702449 PPKWUSCWJIZFHM-UHFFFAOYSA-N 321.384 2.940 0 40 DFAB O=C(CCc1cc2ccccc2o1)N[C@@H]1CCc2nccn2C1 97197662 GFRQPKOUTHIHGJ-CQSZACIVSA-N 309.369 2.693 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccncc3)C[C@@H]21 97112720 GEBGLYXJQNSKEK-HRCADAONSA-N 317.433 2.817 0 40 DFAB CC(C)c1nc(C(=O)N2CCOC[C@H]2c2cccn2C)cs1 97143975 UJJSIZQJOACYIT-AWEZNQCLSA-N 319.430 2.819 0 40 DFAB COc1ccc(-c2ccc(=O)n(CN3CCCCC3)n2)c(F)c1 72403749 RGWLFABTZOMZSX-UHFFFAOYSA-N 317.364 2.501 0 40 DFAB O=C(COCC(F)(F)F)Nc1nc(C(F)(F)F)cs1 97334856 QLQRTACAHRFPBY-UHFFFAOYSA-N 308.203 2.679 0 40 DFAB Cc1csc(CN(C)C[C@H]2CN(c3ccccc3)C(=O)O2)n1 76040255 ZBGFSDPTGWNJNZ-AWEZNQCLSA-N 317.414 2.909 0 40 DFAB O=C1CCCc2sccc2N1Cc1nc([C@@H]2CCOC2)no1 95411059 KSSUIXGBEFWTAH-SNVBAGLBSA-N 319.386 2.505 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H]2CCCOc3ccc(F)cc32)C1 95423868 FVGVVEBIBAPGTD-ZFWWWQNUSA-N 306.381 2.640 0 40 DFAB Cc1ccc(CNC(=O)NCCc2cscn2)c(N(C)C)c1 95427094 XNTDXZYQDVODPG-UHFFFAOYSA-N 318.446 2.559 0 40 DFAB COc1ccccc1NCC(=O)NCCc1cc2ccccc2[nH]1 95430150 ADBSHWKMODVHFB-UHFFFAOYSA-N 323.396 2.947 0 40 DFAB COC(=O)c1cc(Br)ccc1OCc1ccon1 95400239 OXUSRJDUOOBMPL-UHFFFAOYSA-N 312.119 2.803 0 40 DFAB Cc1[nH]ncc1CCCN[C@@H](C)CC(=O)Nc1cccc(F)c1 95420030 QSICIAOWUZPTBW-LBPRGKRZSA-N 318.396 2.797 0 40 DFAB CCN1C(=O)C2(CCCCC2)N[C@@H]1C1=Cc2ccccc2OC1 84779868 PQMBVYCYAQPPCG-KRWDZBQOSA-N 312.413 2.943 0 40 DFAB COCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 73978597 LHGMPZFOXBYPQQ-UXLLHSPISA-N 320.433 2.891 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1N[C@@H]1CCCN(c2ccccc2)C1=O 95961082 UMFHKPSWSTVDKO-VQHPVUNQSA-N 314.429 2.585 0 40 DFAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)Cn1cccn1 95949509 HPHNSUQILXTMJP-ZIAGYGMSSA-N 301.390 2.747 0 40 DFAB Cc1ccnc([C@H](NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1 95979750 FTBAZVJVSJSXDY-MRXNPFEDSA-N 317.339 2.873 0 40 DFAB O=C(NC1CC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 95993081 RADZPKHDTVVKTF-CYBMUJFWSA-N 317.437 2.904 0 40 DFAB Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)on1 95987203 JHRKCRARROUEBY-UHFFFAOYSA-N 317.736 2.982 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2ccncc2)C1 121477231 YMQHJKJQOQKNDO-HNNXBMFYSA-N 316.788 2.957 0 40 DFAB Cc1ccc2c(c1)[C@H](NCC1(N(C)C)CCOCC1)[C@H](C)C2 180543640 DACUVMXRDZIFPW-CRAIPNDOSA-N 302.462 2.929 0 40 DFAB CN(C)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cn1 36398594 NEHMOWGSJXGTPY-UHFFFAOYSA-N 303.793 2.774 0 40 DFAB Cc1cc(F)c(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)cc1F 530074311 BKMAIOHQIFTKSC-CQSZACIVSA-N 319.311 2.746 0 40 DFAB CCCOc1c(CNCCN(C)C)cc(Cl)cc1OC 36611755 NVXPDOPSNKCKAJ-UHFFFAOYSA-N 300.830 2.789 0 40 DFAB O=C1N(c2ccccc2)C[C@H]2CN(Cc3ccccc3)CCN12 77266467 FUYNQEVISSWZMZ-GOSISDBHSA-N 307.397 2.813 0 40 DFAB biogenic,in-vitro O=Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 6407903 UAQWPPODGXPCTG-UHFFFAOYSA-N 323.348 2.783 0 40 DFAB O=C(CCc1cccnc1)NC[C@H](O)c1ccc(Cl)s1 75269259 VTOCNKNALUHCRB-NSHDSACASA-N 310.806 2.579 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225417859 ALTIRLUWHDMCMQ-UONOGXRCSA-N 320.433 2.737 0 40 DFAB CCOC(=O)c1c(Br)cncc1Br 47202767 KWKKIQCPLDQVFV-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB CCc1ccnc(CNC(=O)[C@](C)(O)CCc2ccccc2)c1 225768091 KEPZEKFMVDTURJ-LJQANCHMSA-N 312.413 2.644 0 40 DFAB COc1cccc(C[C@@H](Oc2ccccc2OC)C(=O)O)c1 225099795 ODGIKYVTMDFRES-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB C[C@H]1CCN(CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1 195531595 ZANWWCLHPHNQFP-GOEBONIOSA-N 313.401 2.764 0 40 DFAB O=C(NC1CC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577665 URKUMAFOKKIETK-UHFFFAOYSA-N 310.800 2.970 0 40 DFAB CC(=O)NC(C)(C)c1noc([C@H](C)Sc2ccccn2)n1 96474401 SZWNJXLLBYCBKW-VIFPVBQESA-N 306.391 2.689 0 40 DFAB CCCC[C@@H](CC)CC(=O)N1CCC[C@H](N2CCNC2=O)C1 96409491 HUOCZLUQBGYVTG-CABCVRRESA-N 309.454 2.609 0 40 DFAB COc1cc(CNC(=O)CC[C@@H]2CCCO2)c2ccccc2n1 96425929 YYFVBZICFSHDCC-AWEZNQCLSA-N 314.385 2.819 0 40 DFAB CC(C)Nc1ncnc2c1CCN(C(=O)c1cccs1)CC2 96255529 NOYLHUYILDGKRH-UHFFFAOYSA-N 316.430 2.599 0 40 DFAB Cc1ccnc(-c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n1 96406997 QWHVMELCKJXRRO-OAHLLOKOSA-N 312.373 2.753 0 40 DFAB CN(C)C[C@H]1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1 248146985 WCKGTYZJNQEWQL-OAHLLOKOSA-N 313.445 2.711 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)CCc2cccnc2)ccn1 257223973 DZSNYUQSWVNSPP-MRXNPFEDSA-N 310.401 2.815 0 40 DFAB COCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257253390 JYTFMGMNTDYJOB-OAHLLOKOSA-N 314.385 2.618 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@@H]1CCc1ccncc1 257226790 FMFDRXCDZHVNEJ-MRXNPFEDSA-N 316.426 2.868 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 257263168 LORVPBZTIYXSBP-CQSZACIVSA-N 322.412 2.768 0 40 DFAB OCCN1CCC2(CC1)CO[C@@H](Cc1ccc(Cl)cc1)C2 257304876 SNMHFXNRYBQEKA-INIZCTEOSA-N 309.837 2.746 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCC(Oc2cnccn2)CC1 85471861 LCDAXJLBIMGJMH-UHFFFAOYSA-N 323.352 2.906 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@H]2C)n1 260742401 VRUPTZPUWHBNFC-SECBINFHSA-N 313.858 2.815 0 40 DFAB COc1ccc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)nn1 282622482 AGIYXTIYTCYWGU-FZMZJTMJSA-N 305.403 2.509 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 282251157 OKNAARUGCYPWPV-QMMMGPOBSA-N 324.274 2.659 0 40 DFAB Cc1cn(C(C)(C)C(=O)NC[C@H](C)Oc2cccc(F)c2)cn1 585141277 RZAYHPXEMUZDQD-ZDUSSCGKSA-N 319.380 2.649 0 40 DFAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)c[nH]1 55553118 HXTPNVJOJIVTHI-CBAPKCEASA-N 305.359 2.519 0 40 DFAB CC[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 48441900 VOYDJQXXSKQWLW-AWEZNQCLSA-N 317.433 2.971 0 40 DFAB COc1cc(CN(C(=O)Nc2ccncc2)C2CC2)ccc1O 56501841 QRTQQNZXOYWYFC-UHFFFAOYSA-N 313.357 2.992 0 40 DFAB Cn1cc(-c2noc([C@H]3CCC[C@@H](C(F)(F)F)C3)n2)nn1 565775544 YMEGHVALGKGXPM-JGVFFNPUSA-N 301.272 2.701 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCC12CCOCC2 585409503 UEXMDSFDMAWERX-DOMZBBRYSA-N 307.365 2.668 0 40 DFAB Cc1cccc(NC(=O)c2cc3cccnc3n(C)c2=O)c1C 5303670 HFFFGOMWOGIAGJ-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB CSc1ccc(COC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5527673 UYRUDUWLPYMHLW-NEBZKDRISA-N 318.394 2.975 0 40 DFAB Cc1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 5752545 OELGGOIMXAZRNP-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1ccccc1 12615541 HYMWHHJYFMQLHT-CQSZACIVSA-N 302.399 2.527 0 40 DFAB c1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)nc1 19401437 SNVFFAXHZCRTFL-MAUKXSAKSA-N 321.428 2.734 0 40 DFAB CCC(=O)c1cccc(S(=O)(=O)N(CC)c2cccnc2)c1 163170637 YSKCIYAVRCMJPO-UHFFFAOYSA-N 318.398 2.890 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)NCc1ccccc1 5703609 MEHWTULHDRDLTN-UHFFFAOYSA-N 315.394 2.866 0 40 DFAB COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(OC)c1 10659424 QDYVWMCTIMBZQU-UHFFFAOYSA-N 317.389 2.625 0 40 DFAB Cc1cnc([C@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)[nH]1 1848352261 XXJIDKQKGZAVLV-LBPRGKRZSA-N 312.348 2.968 0 40 DFAB O=C(Cc1cccc2ccccc12)NCCn1ccn2nccc12 206743857 ZWMQZYWNWDXLEL-UHFFFAOYSA-N 318.380 2.648 0 40 DFAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccsc1 225567071 XZDYMPFAGYYTIB-CQSZACIVSA-N 310.488 2.695 0 40 DFAB C[n+]1ccc2c(c1)nc(-c1ccccn1)n2Cc1ccccc1 352681 KGBPWVHCFMCYNF-UHFFFAOYSA-N 301.373 2.971 0 40 DFAB O=C(Nc1cccnc1N1CCCC1)[C@@H]1COc2ccccc2C1 40142227 DFACWIOUOUFQCV-HNNXBMFYSA-N 323.396 2.872 0 40 DFAB CCOc1ccc(NC(=O)C(=S)NCc2ccco2)cc1 49046 KVVRLNMKVJGJHT-UHFFFAOYSA-N 304.371 2.734 0 40 DFAB Cc1cc(CN(C)C(=O)Cc2csc(-c3ccco3)n2)no1 31115248 IPJOANNCDMGFNA-UHFFFAOYSA-N 317.370 2.901 0 40 DFAB Cn1c(COc2ccccc2)nn(CN2CCCCC2)c1=S 69601 HIETUGGKZWDPRM-UHFFFAOYSA-N 318.446 2.973 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccccc2)C1 282184 KXDDBDWEJDZEQU-CQSZACIVSA-N 319.474 2.964 0 40 DFAB Cc1cc(NC(=O)[C@H](NCc2ccccn2)c2ccccc2)no1 28621762 RBDQLHLALCIOSH-QGZVFWFLSA-N 322.368 2.848 0 40 DFAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1CCCCC1 421879 XJNDPSBUKLAUFZ-UHFFFAOYSA-N 319.386 2.547 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 7486829 KHDAVABVVGTRTK-UHFFFAOYSA-N 303.406 2.850 0 40 DFAB Cc1nc(-c2ccc(OCC(=O)N[C@H](C)C(C)C)cc2)no1 40464733 CJZXBMBPQAVCNP-LLVKDONJSA-N 303.362 2.585 0 40 DFAB CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 69898975 OMZOMTDWUJETRA-KRWDZBQOSA-N 317.410 2.650 0 40 DFAB CCOC(=O)C(=O)CC(=O)c1c(Cl)ccc(F)c1Cl 100599740 ZNWRLCTUZLOYOB-UHFFFAOYSA-N 307.104 2.838 0 40 DFAB in-vitro Cc1cccc(N(C)C(=O)COC(=O)c2cccc(F)c2)c1 51356469 QQGCETUBIWXGBZ-UHFFFAOYSA-N 301.317 2.954 0 40 DFAB COC(=O)C1=C(C(=O)OC)[C@]2(C)C(C)=C(C)[C@@]1(C)C(=O)C2(C)C 4565653 PYRVMRIVAICSQC-MSOLQXFVSA-N 320.385 2.601 0 40 DFAB CCCN(CCC)C(=O)c1cc(C)ccc1NS(C)(=O)=O 69460356 OGAVWGGBCGKNCK-UHFFFAOYSA-N 312.435 2.629 0 40 DFAB Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H]2c2ccccc2)n1 69779313 AMMFILYEPDNXFF-HOTGVXAUSA-N 323.396 2.591 0 40 DFAB Cc1nc2cc(NC(=O)Cc3cn4ccccc4n3)ccc2o1 32451752 LMIORHGYTGRODX-UHFFFAOYSA-N 306.325 2.965 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc(C(=O)OC)cc2)nc1 29525108 NGSJVJLRVGEWEO-UHFFFAOYSA-N 314.341 2.657 0 40 DFAB NC(=O)c1cccc(OCc2ccn(-c3cccc(F)c3)n2)c1 69769777 AOFGXZQTHIMKQY-UHFFFAOYSA-N 311.316 2.689 0 40 DFAB NC(=O)[C@@H](OC(=O)CCc1nc2ccccc2o1)c1ccccc1 21480004 LOWSHPJHTFQVEV-KRWDZBQOSA-N 324.336 2.530 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC 496526 YEEGSYPJWMHSBU-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB Cc1ccnn1-c1ccc(C(=O)NCCCOC(C)C)cc1 21780374 TXDJLLILHUWLDI-UHFFFAOYSA-N 301.390 2.726 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C)n2C)c1C 7644585 FIXDKPJCPWWYHX-JTQLQIEISA-N 320.418 2.635 0 40 DFAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)on1)C2 103153011 ILWXCWJBPVJZOC-HUUCEWRRSA-N 311.385 2.697 0 40 DFAB COc1cccc([C@@H]2CCCN2CC(=O)N2CCCCC2)c1 54668229 DNQJTORFJUHTAA-KRWDZBQOSA-N 302.418 2.845 0 40 DFAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(-n2cncn2)cc1 23951027 GQXCDODZVJAYQP-SNVBAGLBSA-N 315.764 2.740 0 40 DFAB Cc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1C 89643179 FPIUENGIDMFFQH-UHFFFAOYSA-N 318.461 2.734 0 40 DFAB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@@H]2C12CC2 100499943 FYRPDSVRKDODDO-APYUEPQZSA-N 309.365 2.787 0 40 DFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1C 55688905 WYXHDBGZIZQGKX-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CN(C)c1ccc(-c2noc(C(=O)NCc3ccccc3)n2)cc1 20738465 XGPUJZZLIRCDRK-UHFFFAOYSA-N 322.368 2.733 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 108322475 NOYYZWVDOCFRHM-ZDUSSCGKSA-N 301.390 2.984 0 40 DFAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N1CCOCC1 12542185 NLVGSJIMKJWCCL-CYBMUJFWSA-N 310.397 2.598 0 40 DFAB Cn1cccc1[C@@H]1CCCN1CC(=O)NCCc1cccs1 58068060 GUNMFLDUDLCVAY-INIZCTEOSA-N 317.458 2.582 0 40 DFAB N=C(NCc1ccccc1)NCc1ccccc1-n1ccnc1 58185214 DMURWQLJDNRKGC-UHFFFAOYSA-N 305.385 2.686 0 40 DFAB COc1ccccc1CC(=O)N[C@H](C)COc1cccc(F)c1 58158237 IRQXORGGMKLHHC-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB Cc1cc(C)c(NC(=O)COC(=O)c2cnc(C)cn2)c(C)c1 3241971 GRPTZNWQKCHLHC-UHFFFAOYSA-N 313.357 2.506 0 40 DFAB COc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 58246011 QVLVLFUPJOWZEK-UHFFFAOYSA-N 312.325 2.904 0 40 DFAB C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 58282551 GPVBYYHAULUEAS-MRVPVSSYSA-N 322.411 2.672 0 40 DFAB O=C(CCc1ccccc1)NCc1noc(-c2ccccc2)n1 58293234 ISNQXIAEKWMMJM-UHFFFAOYSA-N 307.353 2.986 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@H](C)O[C@H](C)C3)sc2n1 44907360 CYKQBDXYFHZPFJ-DTORHVGOSA-N 319.430 2.866 0 40 DFAB Cc1noc([C@@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)n1 44947361 BKEYKMVGQTVGME-ZCFIWIBFSA-N 304.730 2.705 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC(C)CC1 58406138 JAJXGKYDFUHOTB-UHFFFAOYSA-N 303.406 2.961 0 40 DFAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1 58406918 IHIHRJJWSGWNBM-KRWDZBQOSA-N 324.384 2.564 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)Cc2csc(N3CCCC3=O)n2)C1 45205371 SSEXFOHANSRYIK-NWDGAFQWSA-N 321.446 2.507 0 40 DFAB CC(C)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3309615 YCSRDXKPMIYHMI-UHFFFAOYSA-N 319.188 2.505 0 40 DFAB O=c1[nH]nc(SCc2cc(-c3cccs3)on2)n1C1CC1 7766097 PCNBQKIMVLQKHP-UHFFFAOYSA-N 320.399 2.915 0 40 DFAB Cc1ccc(-c2nc3ccccn3c2CN2CCNCC2)cc1 22465212 VPRTWGQOAYNEBH-UHFFFAOYSA-N 306.413 2.715 0 40 DFAB COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 3548204 ITWGGPRWNZSRTB-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 3884724 LPQVGEDRXILEKX-UHFFFAOYSA-N 321.354 2.584 0 40 DFAB COc1ccc(CC(=O)N[C@@H](CC(=O)O)c2cccs2)cc1 13389027 VUCQHRKTVAEPST-ZDUSSCGKSA-N 319.382 2.631 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CSCc1noc(C(C)(C)C)n1 91028677 PNVXNAUTORTFNY-UHFFFAOYSA-N 323.422 2.579 0 40 DFAB CCc1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1 8114580 NOFGEGCHPQXISF-UHFFFAOYSA-N 307.375 2.776 0 40 DFAB CN1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1 13724520 PRHNYORDXCCKBK-UHFFFAOYSA-N 324.359 2.873 0 40 DFAB C[C@H]1CCc2c(C(=O)N[C@@H](C)Cn3ccnc3)csc2C1 65408864 HISUIMGDFYZTLG-RYUDHWBXSA-N 303.431 2.888 0 40 DFAB CN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc(F)cc1 14094866 FUQLWDSWQAPZCX-UHFFFAOYSA-N 315.392 2.962 0 40 DFAB CCOc1ccccc1CCC(=O)Nc1cccc(C(N)=O)c1 14018145 LEMVEZCYDXTFBI-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 65591572 QTHFJJLGDOQBET-IUODEOHRSA-N 319.424 2.951 0 40 DFAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(Cl)c1 8390645 DLCMCMJOHKOFSJ-UHFFFAOYSA-N 316.744 2.704 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 5559979 LGHJBKMUFMSAQP-OAHLLOKOSA-N 324.380 2.682 0 40 DFAB CN(C)C[C@H]1c2ccccc2-c2ccccc2CS1(=O)=O 6637748 XPLNJIWMKHESJT-KRWDZBQOSA-N 301.411 2.885 0 40 DFAB CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 15348949 MOWATUOLNUYMOW-UHFFFAOYSA-N 303.383 2.508 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)OCc2cc(C)no2)c1 8546133 NOBIRQJGANMVRW-UHFFFAOYSA-N 304.302 2.908 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)NC(=O)NCc1ccccc1 8710866 KKPASUZJHFMJFW-LBPRGKRZSA-N 315.398 2.588 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1cccs1 18235134 VEIYAZOVNADOAA-CMDGGOBGSA-N 314.410 2.666 0 40 DFAB O=C(OCc1nc2sccn2c1Br)C1CC1 71914288 HUMKRZQARDMCJR-UHFFFAOYSA-N 301.165 2.612 0 40 DFAB Nc1ncnc2sc3c(c12)CCN(C(=O)C[C@H]1C=CCC1)C3 9154435 NZIAJIODTGYSNX-JTQLQIEISA-N 314.414 2.515 0 40 DFAB CN1CCN(Cc2ccc([S@](C)=O)cc2)c2ccccc21 96003289 YVNMHCLNXFNQKL-OAQYLSRUSA-N 300.427 2.880 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)no1 96001185 SSXYQLYIKUQJHQ-AWEZNQCLSA-N 317.393 2.982 0 40 DFAB CCN1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 19877250 JYMZYBIXRUJDQS-UHFFFAOYSA-N 315.505 2.721 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N1CCOC(C)(C)C1 96404645 ZJZSCCXFJKOUPO-UHFFFAOYSA-N 314.389 2.823 0 40 DFAB C[C@H]1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)C[C@@H]1O 96497148 ADFLWNGLBWKHMK-AAEUAGOBSA-N 308.447 2.815 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N1CCSc2ncccc21 84190074 DPPFWSLJWRJQDO-UHFFFAOYSA-N 324.402 2.830 0 40 DFAB Cc1n[nH]cc1CN[C@H](C(=O)N1CCCCC1)c1ccccc1 71837240 ZGDDUZXRRSMMPX-KRWDZBQOSA-N 312.417 2.562 0 40 DFAB O=C(COC[C@H]1CCCO1)Nc1cccc(-n2cccc2)c1 71803282 NDXULPMNXSUSSJ-MRXNPFEDSA-N 300.358 2.611 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCN1CCCC1=O 71897387 INGVWRQLQBZBHW-CZUORRHYSA-N 322.836 2.724 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1cccs1 72298343 CNKRAHQNWHVJND-BBRMVZONSA-N 305.447 2.966 0 40 DFAB O=C(c1cnsn1)N(Cc1cccnc1)c1ccc(F)cc1 97007882 ARIUCPQKZVUDLI-UHFFFAOYSA-N 314.345 2.919 0 40 DFAB Cc1ccc(CO)cc1NC(=O)c1ccc(Br)cn1 97022704 WTEZMGFBJQJNLI-UHFFFAOYSA-N 321.174 2.897 0 40 DFAB Cc1ccc([C@@](O)(CCNCc2c[nH]nc2C)C(F)(F)F)o1 97159897 SNFKQTVTMBXFSV-ZDUSSCGKSA-N 317.311 2.549 0 40 DFAB CC(C)Cc1c2sc(=O)[nH]c2nc2c1c(O)nn2C(C)C 72405858 WECPXEDEUBEYPF-UHFFFAOYSA-N 306.391 2.819 0 40 DFAB O=C(CCN1CCOC1=O)OCC12CC3CC(CC(C3)C1)C2 84544123 WHPMGZAVSGUSIK-UHFFFAOYSA-N 307.390 2.588 0 40 DFAB O=C(NCc1ncc[nH]1)Nc1nc(-c2cccc(F)c2)cs1 95439437 XEHGCOGWPRPAQH-UHFFFAOYSA-N 317.349 2.994 0 40 DFAB Cc1nc(CSC[C@@H](O)CO)oc1-c1ccc(Cl)cc1 95410625 NCRGAEIGQIROBR-LBPRGKRZSA-N 313.806 2.890 0 40 DFAB CCCc1nnc(NC(=O)N2CCSC(C)(C)C2)s1 84759084 GZVPPQLRQPVBJN-UHFFFAOYSA-N 300.453 2.850 0 40 DFAB COC(=O)C1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 95959353 MFFAYIWUSTULPH-WMUDQEJXSA-N 310.438 2.842 0 40 DFAB C[C@@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)n1cncn1 95987131 SBJRZSOSPBJLQB-GWCFXTLKSA-N 320.780 2.523 0 40 DFAB CCN(CC)C(=O)N1Cc2ccccc2C[C@@H]1c1nnc(C)o1 95981641 KNYHCHVHKSZCAV-OAHLLOKOSA-N 314.389 2.939 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)NCc1ccc(-c2ccccc2)o1 95965113 SUGUIRJHVGMZPH-INIZCTEOSA-N 314.385 2.859 0 40 DFAB Cn1cc([C@](C)(O)CN[C@H]2CCc3cc(Cl)ccc32)cn1 95968407 CQJBYOLSOWDGMF-JKSUJKDBSA-N 305.809 2.558 0 40 DFAB Cc1ccccc1CCNC(=O)C[S@@](=O)Cc1ccccc1 78556021 DEZGRUYBCVXYIX-JOCHJYFZSA-N 315.438 2.603 0 40 DFAB COc1ccc(C(=O)/C=C/c2scnc2C)cc1CC(=O)O 78693244 PCQZXCUWPVESJY-GQCTYLIASA-N 317.366 2.983 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc(F)cc1F 78757747 CMEVCXDRLGKBNY-YPMHNXCESA-N 311.376 2.761 0 40 DFAB Cc1nc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)sc1C 74919339 LUZRMPNSMGNIPL-LBPRGKRZSA-N 319.434 2.572 0 40 DFAB CN(CC(=O)O)c1nc2ccc(OC(F)(F)F)cc2s1 74934183 UOAAZCDVNVZFPL-UHFFFAOYSA-N 306.265 2.716 0 40 DFAB COc1ccc(NC(=O)N2CCN(c3cccs3)CC2)cn1 89466130 GJNCFNNUIKKSHT-UHFFFAOYSA-N 318.402 2.506 0 40 DFAB CCOc1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 78971617 PPBFIGWFTPAPLM-UHFFFAOYSA-N 301.346 2.880 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 35655431 VMQMDASEWUWULF-AWEZNQCLSA-N 302.418 2.762 0 40 DFAB Cc1ccccc1N1CCN(C[C@H](O)Cc2ccccc2)CC1 31947031 GNSWLXANORETEF-LJQANCHMSA-N 310.441 2.721 0 40 DFAB Cc1ccccc1-c1noc([C@H](C)Sc2nnc(C)n2N)n1 75075497 ZLAMEFRJLFHTGA-VIFPVBQESA-N 316.390 2.512 0 40 DFAB Cc1noc(COCC(=O)N(c2ccc(Cl)cc2)C(C)C)n1 74545912 LSETXWQDXZVATP-UHFFFAOYSA-N 323.780 2.990 0 40 DFAB O=C(Nc1ccc2nccn2c1)N[C@@H]1CCOC12CCCCC2 1553099637 GQRTWSMJCDSIFL-CQSZACIVSA-N 314.389 2.948 0 40 DFAB O=C(NCC1(O)CCC1)N[C@@H](c1cc(F)ccc1F)C1CC1 74893835 XQTNEBYJUVWBII-CQSZACIVSA-N 310.344 2.630 0 40 DFAB COc1cccc2cc([C@@H](C)NCCCN3CCOCC3)oc12 32917361 DRDZYXKGWQNTLG-CQSZACIVSA-N 318.417 2.814 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)c1 36635616 FGYPWFLCGOYWAL-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccn2)cc1 77975086 LNDPWMINBMJWMH-QGZVFWFLSA-N 311.385 2.693 0 40 DFAB CSc1ccc(NC(=O)c2[nH]ncc2Br)cn1 76987757 UEBVJGVMKIBPSV-UHFFFAOYSA-N 313.180 2.541 0 40 DFAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCc2cncn2C1 565035403 NXHFUCZVPWWVNK-LLVKDONJSA-N 321.783 2.897 0 40 DFAB C[C@@H](c1cnccn1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 72203804 BMBJOIKANPVNBK-ZDUSSCGKSA-N 320.437 2.869 0 40 DFAB COc1ccc(-c2nccnc2C2CCN(C(C)=O)CC2)cc1 72358432 QLQFSFFBDMCLAQ-UHFFFAOYSA-N 311.385 2.878 0 40 DFAB COc1ccc(-c2cc(C(=O)O)c3c(C)[nH]nc3n2)cc1OC 44892647 UBWRGWKPWIWESO-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 222777416 PZAIKLRFDODSLR-LSDHHAIUSA-N 300.431 2.721 0 40 DFAB C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1 132544591 YCCAUYXQAWDNDC-YPMHNXCESA-N 310.463 2.689 0 40 DFAB O=C1C[C@H](C(=O)O)[C@H](c2cccc(OCc3ccccc3)c2)O1 85394691 MZLOVRJLAVWQGL-RDJZCZTQSA-N 312.321 2.954 0 40 DFAB C[C@H]1CN(C(=O)CCn2ncc3c(Cl)cccc32)C[C@H](C)O1 40759477 UQHKFSZUYAGULD-RYUDHWBXSA-N 321.808 2.716 0 40 DFAB Cc1cnc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)s1 225722970 IIXZVBNNRWXNSI-NSHDSACASA-N 321.427 2.983 0 40 DFAB C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)C(C)(C)CN(C)C 85423406 JTCTWZIAEFDKME-KGLIPLIRSA-N 321.469 2.623 0 40 DFAB CC(C)(COCc1ccccc1)NS(=O)(=O)c1ccco1 225587338 JNVWVZBDCREABU-UHFFFAOYSA-N 309.387 2.553 0 40 DFAB C[C@H]1CCN(S(=O)(=O)Cc2ccon2)[C@@H]1c1cccc(F)c1 80783936 JNCFVGGPXMASSP-NHYWBVRUSA-N 324.377 2.727 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)Nc2nnc(CC)s2)o1 96433729 CNRSZCNYEOGQCB-SNVBAGLBSA-N 324.406 2.765 0 40 DFAB CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2CC=CCC2)c1 96408958 BJCMPKJGWUTCOS-RHSMWYFYSA-N 303.402 2.980 0 40 DFAB COC[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1Br 96470669 PAXDBFTUBDICIU-GHMZBOCLSA-N 314.223 2.779 0 40 DFAB CCC(=O)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 96207810 WXKMVDBBQKDVMC-HNNXBMFYSA-N 318.417 2.516 0 40 DFAB CCOc1cc([C@H](N)c2n[nH]c(C(C)(C)C)n2)ccc1OC 95534448 AIOMJHLKXGVGDD-ZDUSSCGKSA-N 304.394 2.558 0 40 DFAB CN(C(=O)CN1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 579705544 MTAWFKGBTXHIKA-SFHVURJKSA-N 304.409 2.844 0 40 DFAB O[C@@H]1CCCC[C@H]1N1CCC(OCCOc2ccccc2)CC1 96485525 GYBSSXUIWDQMBT-RTBURBONSA-N 319.445 2.850 0 40 DFAB CCN(CC)C(=O)C[S@](=O)[C@H](C)c1ccc(F)c(F)c1 96448135 VMKDXVSEBGIFDR-CFMSYZGJSA-N 303.374 2.643 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccccn3)C[C@@H]12 248159009 WSNXICDFMOEBDU-UXHICEINSA-N 307.441 2.929 0 40 DFAB CCCn1cc(CN2CCO[C@@H](c3ccc(C)cn3)C2)cn1 257248393 JDLKSPGZJYDLHA-QGZVFWFLSA-N 300.406 2.570 0 40 DFAB COCCN1CCC2(CC1)CO[C@@H](Cc1ccc(F)cc1)C2 257272563 NCWSYPVYBODKBF-KRWDZBQOSA-N 307.409 2.886 0 40 DFAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c1 256046251 DTJRGETZJYIWOZ-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 253504989 OFAZPSYXUKIJIK-YSXLSAMRSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro Cc1c[nH]c([C@@H]2CCN(C(=O)COc3ccccc3Cl)C2)n1 257294499 QULFBMQQQYPTCX-GFCCVEGCSA-N 319.792 2.766 0 40 DFAB CCO[C@@H]1C[C@@H](N[C@H]2CCc3nc(C)cn3C2)C12CCCC2 252486587 LZGUFXHAHGLLLM-ARFHVFGLSA-N 303.450 2.834 0 40 DFAB Cn1ccnc1-c1nccnc1C1CCN(c2ccccn2)CC1 257214093 CKMPIAPTXPFPGM-UHFFFAOYSA-N 320.400 2.656 0 40 DFAB O=C(O)/C=C/c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1 255187442 DONDUUYEVFSSON-XCVCLJGOSA-N 304.323 2.698 0 40 DFAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2ccn[nH]2)C1 257269086 MOMPQPFYPGSSNE-JTQLQIEISA-N 307.756 2.761 0 40 DFAB CSc1ccc([C@@H](O)CNC(=O)Cc2ccsc2)cc1 96103169 XOKMNMMHVHOJOY-AWEZNQCLSA-N 307.440 2.862 0 40 DFAB Cc1nc2n(c1C)CCN([C@H](C)c1nc(C(C)(C)C)no1)C2 65487581 SCJNWJOKDRLMSN-GFCCVEGCSA-N 303.410 2.757 0 40 DFAB CC(C)(C)NC(=O)COc1ccccc1OCC(F)(F)F 66825220 AWJLVMYTEJOYRK-UHFFFAOYSA-N 305.296 2.921 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@@H](C)C(=O)Nc1ccccc1F 66298894 WGIVTUNKOSCISM-KPWVOAKYSA-N 324.377 2.706 0 40 DFAB O=C(c1cc(C2CC2)on1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565522554 UAFZSTHOZFANGI-STQMWFEESA-N 312.373 2.757 0 40 DFAB Cc1nsc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 76091321 SZWSFXVRJWDHFV-UHFFFAOYSA-N 321.377 2.673 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NC[C@@]1(O)CCSC1 95423576 OCXQJDIZONDMKN-HZMBPMFUSA-N 301.839 2.867 0 40 DFAB CCN(CC)CCCNCc1cc2cccc(C)c2[nH]c1=O 12706438 LFZIDZCPOVQUJT-UHFFFAOYSA-N 301.434 2.658 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2ccc(F)c(F)c2)CC1 13265822 JKFGWZWEHRORRL-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB O=C(N[C@H](Cc1ccsc1)c1nccs1)c1cncnc1 19406498 SVHSKMXRZAXECG-GFCCVEGCSA-N 316.411 2.708 0 40 DFAB Cc1sc(NC(=O)CN2CCCC[C@@H]2C(=O)O)c(C)c1C 158350666 PJCLOVWAEHUAGL-GFCCVEGCSA-N 310.419 2.551 0 40 DFAB Cc1cc(CN2CCOC[C@H]2CC(=O)c2cccs2)no1 154402810 DXVIJAMMZDIQQH-CYBMUJFWSA-N 306.387 2.518 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccsc1 13725041 BBVAIMDZPQPUEE-UHFFFAOYSA-N 317.819 2.889 0 40 DFAB CN(C)c1cccc(C(=O)N2CC(n3cnc4ccccc43)C2)c1 1775973405 ANUFOYDVENPPQP-UHFFFAOYSA-N 320.396 2.799 0 40 DFAB O=C(/C=C/c1ccccc1)NCCn1cc(-c2ccco2)cn1 575614982 LNNOTSRGFIIODF-CMDGGOBGSA-N 307.353 2.973 0 40 DFAB NC(=O)c1ccc(COC(=O)Cc2ccc3c(c2)CCCC3)cc1 30025457 UIVJMVUUEFJALR-UHFFFAOYSA-N 323.392 2.950 0 40 DFAB CCOC(=O)c1cnc(SCc2ccccc2F)nc1N 419239 LXSJOUCFFOOAGR-UHFFFAOYSA-N 307.350 2.667 0 40 DFAB CCN(CC)C(=O)C1CCN(CCOc2ccccc2)CC1 1668187 ZPBWPFYGKIQDKW-UHFFFAOYSA-N 304.434 2.646 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2F)C1 40554129 CUOMTEXFMQJDQY-VIFPVBQESA-N 314.307 2.691 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCN(c2ccccn2)CC1 3323837 HAWZVWGQLNELBP-UHFFFAOYSA-N 318.380 2.592 0 40 DFAB COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1 8134464 SKMOFUFABBGLPN-UHFFFAOYSA-N 309.369 2.783 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 248981 SCNIFNQLTSJDTF-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CC1(C)CC(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC(C)(C)N1 6331985 LMFZXVRFXAOBQA-OUCADQQQSA-N 309.523 2.948 0 40 DFAB COc1cccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 6486697 GUPNRIZDJCDSCS-IUODEOHRSA-N 305.374 2.547 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 7811744 YOJSWQQBIGDVGX-ZIAGYGMSSA-N 318.417 2.780 0 40 DFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCC1CCCC1 21066126 KDLOWGXVHRXTKR-UHFFFAOYSA-N 319.430 2.913 0 40 DFAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 101892482 BGTZSQTUUKHIRD-VIXWNIIDSA-N 303.745 2.747 0 40 DFAB C=CC(=O)Oc1cccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 100496739 IAAKDUGHWAPNAF-LSDHHAIUSA-N 311.337 2.624 0 40 DFAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 8517788 UUBIFNHFVIDFKX-UHFFFAOYSA-N 305.337 2.544 0 40 DFAB NC(=O)c1ccc(COC(=O)C2C3CC4CC(C3)CC2C4)cc1 32837562 AHFGCUAODZTTFY-UHFFFAOYSA-N 313.397 2.901 0 40 DFAB Cn1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 21631111 GSNLDOLCMHDZDJ-UHFFFAOYSA-N 304.400 2.786 0 40 DFAB C[C@@H](CNC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 32900249 JEZQVTHVGLDVSV-HNNXBMFYSA-N 320.396 2.860 0 40 DFAB O=c1c2cc(Br)ccc2ncn1C[C@H]1CCCCO1 21735824 WTGAGSLDQMFANL-LLVKDONJSA-N 323.190 2.728 0 40 DFAB CN(CCCOc1ccccc1)[C@@H](C(N)=O)c1ccc(F)cc1 29855001 NTOHYLVKBVYJMH-QGZVFWFLSA-N 316.376 2.753 0 40 DFAB c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)c1 107747415 RPCKWFHDAKLNJF-DZKIICNBSA-N 303.431 2.624 0 40 DFAB O=C1COc2cc(NC(=O)c3cccs3)c(Cl)cc2N1 33193776 HYRCJISJPBFUDQ-UHFFFAOYSA-N 308.746 2.985 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC(F)(F)F)cc1 103007335 BQXDISRMDRICIN-RBJBARPLSA-N 323.270 2.897 0 40 DFAB Cc1sc(-n2cccc2)c(C(=O)NC[C@@H]2CCOC2)c1C 42725567 VEJLKLUVXWHBER-ZDUSSCGKSA-N 304.415 2.922 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)[C@H]1C[C@H]2CC[C@H]1C2 105701560 GDFUTQPJHCNINE-WNZSCWOMSA-N 318.461 2.718 0 40 DFAB Cc1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)no1 24746553 YZQWTBNWAJNXLA-LBPRGKRZSA-N 314.389 2.551 0 40 DFAB c1ccc(Cn2cc(CNCc3cccc4c3OCO4)cn2)cc1 47702564 HHXWZAHYUILPOX-UHFFFAOYSA-N 321.380 2.950 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 3252254 KLHGNEZEZUMROU-DTWKUNHWSA-N 301.264 2.843 0 40 DFAB CC(=O)C(=S)Nc1ccc(I)cc1 68572170 MVRSSDBMPKOHHY-UHFFFAOYSA-N 305.140 2.620 0 40 DFAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCCCCC2)c1 25407645 LHLZSFYCFAWSME-ZDUSSCGKSA-N 303.406 2.848 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2ncsc2c1 24724023 CMXOLOYOKJXIFD-GFCCVEGCSA-N 306.387 2.614 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCc1cc2ccccc2[nH]1 57557660 QCBJQIHZQHGOTN-UHFFFAOYSA-N 310.382 2.736 0 40 DFAB FC(F)(F)Oc1ccccc1CN[C@@H]1CCN(C2CC2)C1 44684023 CYLIEUIFXRYMAX-GFCCVEGCSA-N 300.324 2.912 0 40 DFAB Cc1ccc(NC(=O)COC(=O)COc2ccccc2)cc1F 3388532 YRMCXXKIZSCFLH-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB Cc1ccc([C@H](CNC(=O)Nc2cc(C)on2)N(C)C)cc1 58192247 JUKSJBJLGLUEHT-AWEZNQCLSA-N 302.378 2.716 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1F 44869123 IHCLAFBHQQPTGA-ZDUSSCGKSA-N 322.405 2.929 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cc1ccc2ccccc2c1 44890079 GGXPQTQSMLVUNP-SFHVURJKSA-N 322.408 2.652 0 40 DFAB O=C(NC[C@@H](O)c1cccc(F)c1)Nc1ccc(F)cc1F 58200814 PTBOVLSHRPSQFA-CQSZACIVSA-N 310.275 2.959 0 40 DFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CCC(C)C 58391534 CVRZMLZVBXIJOK-UHFFFAOYSA-N 306.406 2.800 0 40 DFAB CC(C)(C)N1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 58342986 BOGARKNGMRYIOU-UHFFFAOYSA-N 310.825 2.992 0 40 DFAB O=C(NCc1[nH]ncc1Br)Nc1cccc(F)c1 69374695 WCAUNYWNZVRGLJ-UHFFFAOYSA-N 313.130 2.633 0 40 DFAB O=C(C[C@@H]1C=CCC1)N[C@H](CN1CCCC1=O)c1ccccc1 48286665 XXUBMGQJSZCQHX-NVXWUHKLSA-N 312.413 2.823 0 40 DFAB COCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 12823226 LXYKQEWFJHXGKA-UHFFFAOYSA-N 305.334 2.787 0 40 DFAB O=C(CCCn1c(=O)oc2ccccc21)N1CCc2ccccc21 12814596 GOLIMIZXMKGGDC-UHFFFAOYSA-N 322.364 2.964 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C)o1 3455163 MLQVBLOWMXFSRB-UHFFFAOYSA-N 303.314 2.782 0 40 DFAB O=C(Nc1ccccn1)c1nnn(-c2cccc(F)c2)c1C1CC1 69493838 PYQARINVDYEGFM-UHFFFAOYSA-N 323.331 2.931 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)c(F)c3)nc2n1 49244335 SEUIXIIXEUWYEJ-UHFFFAOYSA-N 319.727 2.786 0 40 DFAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 4017166 RJSIHOJDLPPLTI-CQSZACIVSA-N 306.337 2.797 0 40 DFAB O=C(COC(=O)c1ccco1)Nc1ccc(OC(F)F)cc1 5080153 HGFDCSMWDKCNGS-UHFFFAOYSA-N 311.240 2.677 0 40 DFAB Cc1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)s1 5054434 HOFSKGUFYKFNOZ-UHFFFAOYSA-N 318.427 2.575 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1 17321908 WRIOIGVGMMBVNW-UHFFFAOYSA-N 318.380 2.774 0 40 DFAB O=C(Cc1cccnc1)Nc1cccc(CCN2CCCC2)c1 91787845 MQXKFIKFIMHZEK-UHFFFAOYSA-N 309.413 2.901 0 40 DFAB O=S1(=O)CC[C@H](NCc2cccc(Oc3ccccc3)c2)C1 65491078 MDOYILJGCRIDDF-HNNXBMFYSA-N 317.410 2.756 0 40 DFAB CC(C)NC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 14016615 RZVFEYLHKKYQQV-UHFFFAOYSA-N 316.386 2.981 0 40 DFAB COc1ccc(F)cc1CS[C@@H](C)C(=O)Nc1ncccn1 69741832 WNSRFDNOTYPJSY-JTQLQIEISA-N 321.377 2.885 0 40 DFAB CCCS(=O)(=O)NCCc1csc(-c2cccs2)n1 6661276 JHWDZXJVCOGTJO-UHFFFAOYSA-N 316.473 2.744 0 40 DFAB CN(C)CCNC(=S)Nc1ccc(N2CCCCC2)cc1 6605848 CPBRUMUFPQMKPX-UHFFFAOYSA-N 306.479 2.525 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cccs2)c(OC)c1 5635993 WHFFCZNFVSXQBO-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB O=C(OCCOc1ccc(F)cc1)c1n[nH]c2ccccc12 4822873 XAVZINFHTURKHJ-UHFFFAOYSA-N 300.289 2.938 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(F)c1 69917555 GSGYWXSBNQRSGP-GFCCVEGCSA-N 303.337 2.508 0 40 DFAB O=C(CN1C(=O)CCC1=O)Nc1ccc(Oc2ccccc2)cc1 5871175 TXGRGWMGJWZPFP-UHFFFAOYSA-N 324.336 2.566 0 40 DFAB CC(C)(C)[C@H]1CCc2c(sc3ncn4c(=O)[nH]nc4c23)C1 67321056 IVEZCKPHBSESNE-QMMMGPOBSA-N 302.403 2.783 0 40 DFAB CCON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18322625 KLDGHKPBLWSXTD-OWCVQMPJSA-N 319.360 2.830 0 40 DFAB COc1cc(COc2ccc(C(N)=O)cc2)ccc1OC(F)F 7410728 KYRLQFLJLIGSGR-UHFFFAOYSA-N 323.295 2.975 0 40 DFAB CCn1c(CN(C)C2CCS(=O)CC2)nc2c(F)cccc21 81100610 BSNLTTDGFAKDAK-UHFFFAOYSA-N 323.437 2.538 0 40 DFAB CCc1cc(CNC(=O)NCCc2cc(F)ccc2F)on1 83233075 JPIVZPPRGGSIJA-UHFFFAOYSA-N 309.316 2.557 0 40 DFAB COc1cccc(C(=O)NCCN[C@H]2CCCC[C@H]2C2CC2)c1 96003161 CZFJAPPNYKNONN-ROUUACIJSA-N 316.445 2.983 0 40 DFAB CCc1cccc(N(C#N)Cc2nnnn2-c2ccccc2)c1 83825632 WINIFNVGWHLCNH-UHFFFAOYSA-N 304.357 2.712 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2CCOC(C)(C)C2)cc1OC 96114266 WZAPMUURAPGDBG-AWEZNQCLSA-N 321.417 2.710 0 40 DFAB biogenic Nc1ncncc1COC(=O)c1cc(Cl)sc1Cl 89762042 GNBOEKHLQUCROB-UHFFFAOYSA-N 304.158 2.784 0 40 DFAB COc1cc2c(cc1OC)CN(Cc1nnc(C3CC3)o1)CC2 71824646 AIZGVMCZGXWLSP-UHFFFAOYSA-N 315.373 2.523 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2scnc2C)n1 71870191 QRBXUWRTOHFHEE-ZDUSSCGKSA-N 304.419 2.570 0 40 DFAB FC(F)(F)[C@@H]1CCc2nnc(CNCc3ccsc3)n2C1 89885460 UBPTWUQCCCPTQM-SNVBAGLBSA-N 316.352 2.754 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@](C)(CO)C1CC1 84068096 CCTFLXKOWDELJD-IBGZPJMESA-N 312.413 2.671 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1 84062158 QARHXJCAVKWMFP-NSHDSACASA-N 318.402 2.998 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)C1(c2cccc(F)c2)CCC1 97197494 XRFGOMBQVIQKGL-OAHLLOKOSA-N 313.376 2.575 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1CNc1nccnc1N 97197319 DNCVRNMHXCXDEV-UHFFFAOYSA-N 308.389 2.533 0 40 DFAB CN(C[C@@H]1CCCCO1)C[C@@H](c1cccs1)N1CCOCC1 75603667 DNXRUYHRBOUUKP-HOTGVXAUSA-N 324.490 2.622 0 40 DFAB Cc1ccc([C@@H]2CSCCN2Cc2cc(=O)c(O)co2)o1 76011318 CVQWVOCKCOGJRR-LBPRGKRZSA-N 307.371 2.537 0 40 DFAB NC(=O)c1c(Cl)cccc1NC(=O)c1ccc(Cl)cn1 76067117 AOUVGJLSFCXMRQ-UHFFFAOYSA-N 310.140 2.740 0 40 DFAB Cc1nc(-c2ccccc2NC(=O)N(C)C[C@@H]2CCOC2)no1 78492245 BWTDXXSPBKTHQY-LBPRGKRZSA-N 316.361 2.545 0 40 DFAB O=C(c1sccc1C1CC1)N1CCN(CC(F)(F)F)CC1 84618172 OKBSQCXXVZVRRM-UHFFFAOYSA-N 318.364 2.946 0 40 DFAB CN(C)[C@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 95349195 VBIIZSUZXXIODA-JTQLQIEISA-N 301.312 2.873 0 40 DFAB Cc1cc(C(=O)/N=c2/sccn2C)c(C)n1Cc1ccco1 95377708 OMDCAIWXKNTDGB-WUKNDPDISA-N 315.398 2.887 0 40 DFAB Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)ccc21 95473346 WXWGQOUENIGKFT-INIZCTEOSA-N 319.364 2.992 0 40 DFAB CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccoc2)c1 95447315 DNVBOWYGEHKODG-LLVKDONJSA-N 307.371 2.564 0 40 DFAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccco1 78999354 OOBZKEOSRQZXAR-INIZCTEOSA-N 302.374 2.853 0 40 DFAB COc1cc(NC(=O)C(F)(F)F)ccc1-c1ccc(CO)o1 20137047 KLCPTZZQKSLUHO-UHFFFAOYSA-N 315.247 2.948 0 40 DFAB CS[C@@H](C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 88242465 QSJYOGJCCGNELN-NSHDSACASA-N 320.389 2.726 0 40 DFAB C[C@@H](c1cccnc1)N(C)Cc1nc2ccccc2c(=O)n1C 95987433 YVXJQGNRSDTTHC-ZDUSSCGKSA-N 308.385 2.522 0 40 DFAB COc1cc(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)ccc1F 95976804 GXBKWLQRJLXPQN-GXFFZTMASA-N 307.321 2.669 0 40 DFAB O=C(NC(C1CC1)C1CC1)N[C@@H]1CCO[C@]2(CCSC2)C1 89598150 DSMBVKAHQORMNR-CZUORRHYSA-N 310.463 2.529 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1F)n1cc(Br)cn1 28224049 PGXANWODNPIDBB-QMMMGPOBSA-N 312.142 2.984 0 40 DFAB Cc1cccc(CC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1Cl 1549741031 YZQKGFPNLWCDBX-GFCCVEGCSA-N 318.808 2.630 0 40 DFAB CN(Cc1cscn1)C(=O)NCc1cc2ccccc2[nH]1 60580337 YWSOJZQEBNVZHD-UHFFFAOYSA-N 300.387 2.966 0 40 DFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC[C@@H](C)C3)ccc21 36741177 LYFPXGQILICRLL-KUHUBIRLSA-N 316.445 2.751 0 40 DFAB Oc1c(F)ccc(I)c1Br 306324622 QUBTUDHQXSLZLT-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB CC(C)Cn1cc(C(=O)Nc2cnn(C)c2)c2ccccc2c1=O 72401642 VQWRSCZKZZQFHY-UHFFFAOYSA-N 324.384 2.643 0 40 DFAB COc1cccc([C@@H](O)CNC(=O)OCc2ccccc2)c1 74559254 YLJYTTMNJLBPCM-INIZCTEOSA-N 301.342 2.655 0 40 DFAB O=C(Cc1cccc(Br)c1)NCc1ccncc1 123731374 ORHKGAMSJYXUTH-UHFFFAOYSA-N 305.175 2.703 0 40 DFAB CC(C)NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 78714633 LLQAVLRPURMLLT-CYBMUJFWSA-N 313.442 2.731 0 40 DFAB O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccncc1 37866160 QCTWLWAZPOQXEK-LJQANCHMSA-N 302.333 2.935 0 40 DFAB COc1cccc(F)c1NC(=O)N1CCC(N2CC=CC2)CC1 188864517 PMKCMAFRPMLFLP-UHFFFAOYSA-N 319.380 2.702 0 40 DFAB CCCc1sc(-n2cccc2)nc1C(=O)N=c1cc[nH]cc1 1565524757 UXPSEFMRQWPDMN-UHFFFAOYSA-N 312.398 2.956 0 40 DFAB Cc1ccccc1OC[C@H](O)CNCC1(N(C)C)CCCCC1 39502314 QNOBLAFTXRXJRC-QGZVFWFLSA-N 320.477 2.589 0 40 DFAB CCOC(=O)C1=NN(c2ccc(C(C)C)cc2)[C@@](C)(C(=O)O)C1 71979617 BSWJDQNLMZEMEL-QGZVFWFLSA-N 318.373 2.783 0 40 DFAB Cc1nccn1CCCNC(=O)[C@@H]1SCCc2ccccc21 79679183 MRTVHRLYZPUSLO-MRXNPFEDSA-N 315.442 2.728 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 74705643 XKJQOTLWUNILSZ-UHFFFAOYSA-N 308.341 2.784 0 40 DFAB COc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 66087400 AZCPACIFXYYJSB-UHFFFAOYSA-N 323.356 2.996 0 40 DFAB C[C@@H](NC(=O)c1cc[nH]n1)c1noc(-c2ccc(Cl)cc2)n1 79607243 RTOLHAOQMXYZEJ-MRVPVSSYSA-N 317.736 2.604 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)c3ccc(CO)nc3)cc2)c1C 1569827343 JXMWZXDNXZBEHC-UHFFFAOYSA-N 322.368 2.629 0 40 DFAB COc1cc(CNC2(C(N)=O)CCCCC2)ccc1SC 88545471 XKQGNMXKLHZINA-UHFFFAOYSA-N 308.447 2.695 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)Nc1cccc(F)c1 224201061 PGQYSPYAJBYYDC-UHFFFAOYSA-N 315.352 2.538 0 40 DFAB O=C(NCc1ccc(C(=O)O)o1)c1cnc2ccsc2c1 571619337 GHYJDDBWOQEBJP-UHFFFAOYSA-N 302.311 2.518 0 40 DFAB CC[C@@](Br)(C(=O)c1ccccc1F)S(C)(=O)=O 96518682 XQSVUVDPEPTISL-NSHDSACASA-N 323.183 2.554 0 40 DFAB CS(=O)(=O)Cc1c(C(=O)OCC2CCC2)oc2ccccc12 96442565 AVNBUBUIVAZUCL-UHFFFAOYSA-N 322.382 2.934 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCCc2occc21 96405743 XMASCPYGJBEZNK-JKSUJKDBSA-N 314.385 2.998 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)N[C@@H]2C[C@H]2C2CCC2)o1 582356916 YQDACRCNAIJXIT-RRFJBIMHSA-N 304.390 2.860 0 40 DFAB COc1ccc(CCN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1OC 96045926 OJKCTNGFBXGPQL-BPUTZDHNSA-N 305.418 2.746 0 40 DFAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCc2csc3ccccc23)C1 97372699 QDQGGOWLIUVLEV-CHWSQXEVSA-N 318.442 2.856 0 40 DFAB c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)c1 96057985 LBQLAJNHWFETRV-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1nccc3ccccc13)C2 96501401 XIFNWASLXWYBHC-LIRRHRJNSA-N 324.380 2.650 0 40 DFAB CC[C@@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)C(C)(C)C 96408864 VNFVZHITHCCLSV-NYHFZMIOSA-N 324.490 2.854 0 40 DFAB O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccccc1)CC(O)=N2 95476089 XOQFVUALWNHHKX-CYBMUJFWSA-N 313.357 2.652 0 40 DFAB C[C@@H]1COCCN1c1ccc(NC(=O)COC2CCCC2)cc1 96414130 GFZXHUOGVINKQW-CQSZACIVSA-N 318.417 2.809 0 40 DFAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(Br)cc12 95096547 XNTJRRZNHWOHFL-UHFFFAOYSA-N 304.147 2.785 0 40 DFAB Cc1ccnc(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)c1 96192014 FTONJEBFUMIHEW-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB Cc1ncc(CNC(=O)N[C@H](C)CCc2cccn2C)s1 96439571 OUAPVAHFYUSNKZ-LLVKDONJSA-N 306.435 2.611 0 40 DFAB COc1ccc(N[C@@H](C)c2nnnn2-c2ccccc2)cc1F 96436997 GVHHEABDTVIMHF-NSHDSACASA-N 313.336 2.983 0 40 DFAB Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c1 96456877 ILBPLOQSDKLZCP-UHFFFAOYSA-N 321.384 2.769 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccs1)C2 96056854 NXGIKNUQMLDIGX-GOEBONIOSA-N 309.431 2.796 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 248253584 NGDJLVPDWHKCFX-CZANMRCUSA-N 313.397 2.915 0 40 DFAB Cn1ccnc1[C@@H]1CCN(C(=O)NCCC2=CCCCC2)C1 533764426 ZOBPTAYYKXSKFD-OAHLLOKOSA-N 302.422 2.810 0 40 DFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 257294794 QVTQLYUKFTYTAE-OAHLLOKOSA-N 309.373 2.664 0 40 DFAB Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3cc(C)on3)C2)n1 257207242 BGZHPGIDMBUCCH-CQSZACIVSA-N 300.406 2.742 0 40 DFAB Cc1cnc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccn4)[C@H]3C2)cn1 257206478 BDQWWHMQDDDEIP-BFYDXBDKSA-N 322.412 2.521 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 257314223 UVWWRGBBFIKELS-LBPRGKRZSA-N 302.378 2.597 0 40 DFAB COc1cccc(CCC(=O)NC2CCC(C(=O)O)CC2)c1F 263113313 JUWSJQGDVUVWRN-UHFFFAOYSA-N 323.364 2.527 0 40 DFAB CO[C@@]1(COc2ccccc2)CCN(Cc2c(C)n[nH]c2C)C1 585279297 ZDJMJEOZMIKJND-SFHVURJKSA-N 315.417 2.696 0 40 DFAB COCCN1CCC[C@]12CCCN(C(=O)c1ccc(C)o1)CC2 585099994 CCZXTTBIUNJRNV-SFHVURJKSA-N 320.433 2.695 0 40 DFAB O=C(CCc1nc(-c2cccs2)no1)OCc1ccccn1 51201652 IWTMSALMDAMPBX-UHFFFAOYSA-N 315.354 2.869 0 40 DFAB Cc1nc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCCC2)no1 55552468 YNOIBDVBNSFWIM-UHFFFAOYSA-N 324.384 2.988 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nc(C)no1 57174778 DDMVVOQOBKMUJB-GFCCVEGCSA-N 301.346 2.835 0 40 DFAB O=C(CCc1cc(F)ccc1F)N[C@@H]1c2ccccc2C[C@H]1O 81703253 UOQNRDYXAHBVCP-SJLPKXTDSA-N 317.335 2.672 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 71870663 KIUAZGFQWVWFAS-CQSZACIVSA-N 318.446 2.617 0 40 DFAB Cc1csc(C(=O)NCc2c[nH]nc2C)c1Br 190898961 KNAQKMBOQBSMPT-UHFFFAOYSA-N 314.208 2.781 0 40 DFAB Cc1ncsc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 1615192038 QGTXSEJNCVUMET-MRXNPFEDSA-N 322.405 2.606 0 40 DFAB CN(Cc1cc(F)ccc1Cl)CC(C)(C)S(C)(=O)=O 225463224 JKXANTUYRLOTQA-UHFFFAOYSA-N 307.818 2.734 0 40 DFAB COc1cc2nc(Cl)nc(NC[C@@H]3CCCO3)c2cc1OC 11756109 BTGRZTCHJKRUQX-VIFPVBQESA-N 323.780 2.891 0 40 DFAB CC(C)NC(=S)Nc1ccc(I)cc1 13786690 XMIMLLRUNTXQGI-UHFFFAOYSA-N 320.199 2.986 0 40 DFAB O=C(Nc1ccncc1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 15931642 GCFJNEQAGPMFLT-MWABVPJASA-N 323.400 2.607 0 40 DFAB Cn1c(=S)c2[nH]c(SCCC(C)(C)C)nc2n(C)c1=O 17379732 JYSOLGRVTYZIHZ-UHFFFAOYSA-N 312.464 2.858 0 40 DFAB CCc1nc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccccc1 19523281 CKLKFKAHDSYJNE-GOEBONIOSA-N 319.412 2.949 0 40 DFAB Cc1ncsc1-c1nnc(CNC(=O)CC2CCCC2)o1 19563223 UZEHCQAERWIURH-UHFFFAOYSA-N 306.391 2.698 0 40 DFAB C[C@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccccn1 19655747 JRRXUYXIIFUKQC-AWEZNQCLSA-N 306.369 2.823 0 40 DFAB O=C(O)C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 13177045 HRSPFERUSHJKOF-OAHLLOKOSA-N 319.307 2.840 0 40 DFAB COc1ccccc1C(=O)NC1(c2noc(C)n2)CCCCC1 26124309 NSZNDMHOIXWISA-UHFFFAOYSA-N 315.373 2.976 0 40 DFAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCc2ccccc21 237670 GGVPBXPSUKCEIG-UHFFFAOYSA-N 320.348 2.543 0 40 DFAB CSc1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 16975505 MJDOHKQFOINSOC-HYXAFXHYSA-N 321.383 2.641 0 40 DFAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 23105612 VUADWAZZIPUNGG-HNNXBMFYSA-N 318.442 2.854 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Oc2cccnn2)C1 225451602 NCQURQDLFCZRNC-AWEZNQCLSA-N 322.368 2.642 0 40 DFAB O=C(NC[C@H](OCCO)c1ccsc1)Nc1ccc(F)cc1 585150714 CCASLHMBMSXQNI-AWEZNQCLSA-N 324.377 2.759 0 40 DFAB COC(=O)CN(C(=O)c1ccc(Cl)cc1)n1c(C)ccc1C 34776639 LOTGYNOJDVRYBS-UHFFFAOYSA-N 320.776 2.710 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CCC(=O)c1ccc(F)cc1 30945975 RWUUTRNEEXCITF-UHFFFAOYSA-N 303.337 2.778 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 164751 BAAIHOASGSSDQN-UWVGGRQHSA-N 323.336 2.503 0 40 DFAB O=C(NCCCOC[C@@H]1CCCO1)c1ccc(Cl)s1 40487765 UNUCCOLENAHTIR-JTQLQIEISA-N 303.811 2.717 0 40 DFAB C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccncc1 40461201 FGCLYYHCEYZYQZ-ZDUSSCGKSA-N 317.433 2.544 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccs2)cc1 1381100 VHLPQIBDARKEDY-NSHDSACASA-N 319.382 2.618 0 40 DFAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 2547069 IWUFTOBAXFRALB-IAGOWNOFSA-N 309.365 2.702 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCc2ccccc2Cl)cc1 3150696 WJKKPPOVKGPQLH-UHFFFAOYSA-N 316.788 2.946 0 40 DFAB CN(C)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 6671043 UHLKTPDPWBUBGM-UHFFFAOYSA-N 310.463 2.574 0 40 DFAB O=C(Nc1nnc2n1CCS2)c1ccc(Cl)cc1Cl 10609757 KJCXQLWUOHZKML-UHFFFAOYSA-N 315.185 2.943 0 40 DFAB Cc1ccccc1Cn1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 102022260 KUBSXFIPQCIFEA-IYBDPMFKSA-N 321.380 2.695 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)C(=O)NC1CCCC1 9995093 RWTQTSIKGDQJRB-UHFFFAOYSA-N 300.280 2.703 0 40 DFAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2Cl)o1 484902 MDWYQYJBHPWFDF-YRNVUSSQSA-N 304.758 2.945 0 40 DFAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccccc2)c1 32912614 ZSBSUESAJPZEGI-HNNXBMFYSA-N 316.357 2.559 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)c1 782906 WMXJGAPIVYEWKU-CYBMUJFWSA-N 307.353 2.905 0 40 DFAB CCc1ccc2nc(NC(=O)c3ccc(O)nn3)sc2c1 22699256 HBIPZMQGDOZOSR-UHFFFAOYSA-N 300.343 2.607 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C 3228293 CAAKJBUSPCRHCS-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1O 3292035 NZZPKZRMZZJIDA-SMDDNHRTSA-N 305.374 2.552 0 40 DFAB CCCNC(=O)c1cccc(NCC(=O)N2CCCC[C@H]2C)c1 55852656 ZHMJFFQVHZWHIT-CQSZACIVSA-N 317.433 2.639 0 40 DFAB Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2)n1 26321460 XXXCOUDBGVQMEX-UHFFFAOYSA-N 309.413 2.916 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 35485059 KXOJRQBVERPZBE-KXBFYZLASA-N 308.425 2.838 0 40 DFAB biogenic O=C(COc1cccc2cccnc12)NCCc1ccccc1 3391966 MJKUZHAXKJQAGL-UHFFFAOYSA-N 306.365 2.973 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)CSc1ccccc1F)C(=O)OC 3333750 CHIOIUGNMZSYLD-IINYFYTJSA-N 313.394 2.622 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cn1 57748529 ICMVWTYPAFVAKI-CHWSQXEVSA-N 311.385 2.868 0 40 DFAB CCN(C)[C@H](C(=O)NCc1csc(C)n1)c1ccccc1 57912320 IBFUXYDSKMSELN-HNNXBMFYSA-N 303.431 2.761 0 40 DFAB Cc1nn2c(=O)cc(CN(c3ccccc3)C(C)C)nc2s1 58184790 OOTGKGSZLGQWCR-UHFFFAOYSA-N 314.414 2.874 0 40 DFAB CCn1nc(C)c(CN(C)Cc2ccc(C(=O)O)cc2)c1C 307953339 JAVKUXPBTAPXTC-UHFFFAOYSA-N 301.390 2.850 0 40 DFAB Cc1cc(C)cc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 3611773 HGDLVIZCMRYRTO-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB COc1ccccc1C(=O)N[C@H](CC(=O)O)c1cccs1 13388779 TYMKGILISAKFJT-LLVKDONJSA-N 305.355 2.703 0 40 DFAB CN(Cc1cccs1)C(=O)CSc1nnc2ccccn12 6115192 WXNOZRLCULJROQ-UHFFFAOYSA-N 318.427 2.542 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(C)s1 14137232 LPRSWTYZWHKMLD-UHFFFAOYSA-N 314.370 2.898 0 40 DFAB COc1ccc(OCCNC(=O)c2cccc(OC)c2)cc1 14183048 HQXXOULGRUMJCG-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NCc2ccco2)[C@@H]1C 4676848 BTADFBUICSNRSF-NFAWXSAZSA-N 306.406 2.617 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 69530527 HKURUBNIQUUQHM-ZDUSSCGKSA-N 306.381 2.594 0 40 DFAB Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 5521237 SAZARVBXRKCAJZ-UHFFFAOYSA-N 317.201 2.714 0 40 DFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@@H]3C)c2C)no1 6641805 CSYIALQIPYQCGM-TVQRCGJNSA-N 316.357 2.772 0 40 DFAB CC[C@H](C)N(C)CCNC(=O)Nc1cccc(NC(=O)OC)c1 66196892 ZXBWTVLXJRAMBF-LBPRGKRZSA-N 322.409 2.717 0 40 DFAB COc1ccc(-c2[nH]nc3c2[C@H](c2ccccn2)N(C)C3=O)cc1 6747817 OVIYOGLGACHSKF-KRWDZBQOSA-N 320.352 2.655 0 40 DFAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1O 69693275 NUYTYWVKAWBZNF-SNVBAGLBSA-N 318.760 2.803 0 40 DFAB CON(C)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 69703584 MVHLONSGOHNTPO-UHFFFAOYSA-N 310.438 2.652 0 40 DFAB COc1cc(Cl)ccc1C(=O)NC1CCN(C(C)C)CC1 67139478 NOSYWSNDHXWEIL-UHFFFAOYSA-N 310.825 2.951 0 40 DFAB c1csc(N2CCCN(c3nc(C4CC4)ns3)CC2)n1 80786462 ACCCIDXDGHMJQY-UHFFFAOYSA-N 307.448 2.589 0 40 DFAB CN(C[C@@H]1CCCN1c1cccnn1)c1nc2ccccc2o1 69923361 CFBXGFYCCAXFTB-ZDUSSCGKSA-N 309.373 2.723 0 40 DFAB Cc1nnc(SCC(=O)c2ccc3c(c2)OCO3)n1C1CC1 7617543 STVSHNYJXAIZNM-UHFFFAOYSA-N 317.370 2.625 0 40 DFAB NC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCC2 8708088 MILOYOCLDJDXPY-UHFFFAOYSA-N 322.336 2.866 0 40 DFAB Cc1ccc([C@@H](CNC(C2CC2)C2CC2)N2CCOCC2)o1 89652540 FMFFEDSXYOKNRF-MRXNPFEDSA-N 304.434 2.740 0 40 DFAB CCc1ccc(C2=CCN(C(=O)c3ccc(=O)n(C)c3)CC2)cc1 92992995 KDCGZIBTBKNORQ-UHFFFAOYSA-N 322.408 2.877 0 40 DFAB COCc1cc(NC(=O)NC(C)(C)c2cccc(C)c2)ncn1 93319164 AZMGNPFIZUCDPY-UHFFFAOYSA-N 314.389 2.988 0 40 DFAB Cc1ccn2cc(C(=O)N[C@@H](C)[C@H]3COc4ccccc43)nc2c1 89700882 UCDKWXVNOVMGGB-DZGCQCFKSA-N 321.380 2.937 0 40 DFAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccsc1)C3 9339049 FDFWQTXXYGGAPM-UHFFFAOYSA-N 316.411 2.534 0 40 DFAB COc1cc(F)ccc1N1CCN(Cc2nc(C)c(C)o2)CC1 71909043 BNCMTSLUMJKBJT-UHFFFAOYSA-N 319.380 2.761 0 40 DFAB C[C@@H](CCNC(=O)c1occc1-c1ccc(F)cc1)[S@](C)=O 89895495 HPKHSPSZGLSPCV-KPWVOAKYSA-N 323.389 2.973 0 40 DFAB O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccncc1 89856038 CQQPZOUXGSTFOK-UHFFFAOYSA-N 318.323 2.796 0 40 DFAB CCCOc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC)CC2=O)cc1 408708474 QMNQYTYGEHQMBV-KGLIPLIRSA-N 318.417 2.743 0 40 DFAB O=C(Cc1cccs1)NCc1cccc2c1OCCCO2 96482642 TVXSXPMOAQHLAB-UHFFFAOYSA-N 303.383 2.768 0 40 DFAB c1ccc(-c2nc(CN3CCCC[C@H]3Cn3cncn3)co2)cc1 71876234 WRXNUSGSQGHPKT-KRWDZBQOSA-N 323.400 2.988 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)N(C)CCc2ccncc2)cc1 71850023 SUQHOBGEGWXMKU-GXDHUFHOSA-N 316.426 2.865 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-n2cccn2)c1 71853954 JZKGTNUYZFYJQI-INIZCTEOSA-N 314.389 2.905 0 40 DFAB O=C(Nc1cc(F)cc(N2CCCC2)c1)N[C@H](CCO)C1CC1 72295071 WTUXCGGWAGAGAN-MRXNPFEDSA-N 321.396 2.708 0 40 DFAB Cc1nsc(N2CCCN(Cc3ccc(F)c(F)c3)CC2)n1 75967148 VBEQMHOYPHIEIP-UHFFFAOYSA-N 324.400 2.837 0 40 DFAB C[C@H](NC(=O)[C@@H]1CSC(=O)N1)c1csc2ccccc12 76092760 DKPJMETUBZIEAB-KWQFWETISA-N 306.412 2.904 0 40 DFAB C[C@@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC1 97165521 IGAPKLOPPINSRO-CHWSQXEVSA-N 310.438 2.938 0 40 DFAB CCn1cc(C(=O)Nc2cc[nH]n2)c(=O)c2cc(Cl)ccc21 97113731 IYFXKHWKMFXOEZ-UHFFFAOYSA-N 316.748 2.650 0 40 DFAB CCOC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 72311385 ZSHXNVWMQFDLOY-AEFFLSMTSA-N 318.461 2.955 0 40 DFAB CC(C)N(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 78258354 BBRGVCSFYBKNJS-INIZCTEOSA-N 316.401 2.817 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)N2CC[C@@H](CC(C)C)C2)cc1 72505482 MYLJIHLWKHCFNN-HNNXBMFYSA-N 317.433 2.875 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 95395726 VGDVUOORXKICBV-MRVPVSSYSA-N 303.753 2.739 0 40 DFAB O=C(N[C@@H](CO)CC1CCCC1)[C@H]1CSc2ccccc21 95456412 CEVZTNJDEDMCTG-HIFRSBDPSA-N 305.443 2.933 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCN1 88059024 AIDXNDTVXJUEAV-MRVPVSSYSA-N 317.614 2.536 0 40 DFAB CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C(=O)OC)c1 79066091 WWGJFNKUHKIBJN-KBPBESRZSA-N 306.362 2.549 0 40 DFAB CC[C@H]1CN(Cc2nccn2C(C)C)CCN1CC(F)F 95980457 PCNCAMKRMMYLIY-ZDUSSCGKSA-N 300.397 2.625 0 40 DFAB CCc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)o1 95982326 RUUSECGIJYWGBN-LBPRGKRZSA-N 322.430 2.682 0 40 DFAB Cc1ccc(Nc2nc(C(=O)N3CCN(C)CC3)cs2)cc1 20029408 RHXWSIBIVYLPDL-UHFFFAOYSA-N 316.430 2.583 0 40 DFAB Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)c1 1322135 CLYZRHKRTMQBLY-UHFFFAOYSA-N 320.348 2.824 0 40 DFAB biogenic Cc1cccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c1C 521394373 PCOJKGOCLZYVTI-DOTOQJQBSA-N 313.401 2.687 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 32508833 CIQUPAWEZPCODJ-CQDKDKBSSA-N 303.358 2.539 0 40 DFAB Fc1cccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)c1 72322082 COLHDNFZPSVYCJ-INIZCTEOSA-N 301.365 2.999 0 40 DFAB biogenic,in-vitro Cc1cc(Sc2ccc(C(F)(F)F)cn2)n2ncnc2n1 78366990 HTABAFKIWBXURE-UHFFFAOYSA-N 311.292 2.998 0 40 DFAB COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1 79311166 BVDVPYBKHSIGJC-QWHCGFSZSA-N 314.316 2.750 0 40 DFAB Cc1nc([C@H]2CCCN(c3ncnc4ccsc34)C2)no1 72279210 WXDXNMSZCUHHIU-JTQLQIEISA-N 301.375 2.767 0 40 DFAB Cc1cc(OCC(=O)NC2(c3cccc(Cl)c3)CC2)no1 76934336 CWBSSQUHZBHZGQ-UHFFFAOYSA-N 306.749 2.821 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350377 JKFJQZJSVJKVBH-LNMJFAINSA-N 322.493 2.948 0 40 DFAB CCOC(=O)c1cnc(NC(=S)NC2CCCCC2)nc1C 225195852 CBYXOLHDNSHBNE-UHFFFAOYSA-N 322.434 2.581 0 40 DFAB NC(=O)CCSc1nc2c(n1-c1ccccc1)CCCC2 61729957 HKMRJRDVBMVZMN-UHFFFAOYSA-N 301.415 2.719 0 40 DFAB O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3ccco3)c12 40388558 PFCXOEBPFNKNQQ-AATRIKPKSA-N 308.341 2.682 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cc(C)oc2C)C[C@H]1C 190399343 SLVOPWLGOCXWOW-MPKXVKKWSA-N 322.405 2.798 0 40 DFAB C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)[C@@H]1COc2ccccc21 195569751 CQTWADFLAYYCTR-DUVNUKRYSA-N 320.433 2.647 0 40 DFAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 222852686 UERJIHLMGRJCKQ-HUUCEWRRSA-N 300.431 2.801 0 40 DFAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 222838330 JNDBINBRQMXASU-GJZGRUSLSA-N 300.431 2.801 0 40 DFAB CCSCCCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 225704398 BKEKJTPUPJHIPH-AWEZNQCLSA-N 324.494 2.764 0 40 DFAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCc1c[nH]c3ccccc13)C2 225517350 UEETVANOIYUMNE-CYBMUJFWSA-N 322.412 2.663 0 40 DFAB CCOc1ccncc1S(=O)(=O)N1Cc2ccccc2[C@H]1C 332220675 LTHGPDAWMGZLDK-GFCCVEGCSA-N 318.398 2.746 0 40 DFAB Cc1cccc([C@H](C)NC(=O)c2conc2C(C)(C)N)c1C 576887334 SWPFBAXCSWXPOT-LBPRGKRZSA-N 301.390 2.976 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](Oc2ccccc2)C1 97212496 DRFJCHISAXQZJK-CQSZACIVSA-N 311.385 2.582 0 40 DFAB COCCO[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1 96200505 CXAJUCYPXJYOJZ-ROUUACIJSA-N 316.401 2.523 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1 330817593 DSHCNEHZABOZQA-AWEZNQCLSA-N 307.415 2.866 0 40 DFAB CCn1cncc1S(=O)(=O)N1CCC[C@@H]1c1cccc(F)c1 331641137 UWYYCFJKRKOGAE-CQSZACIVSA-N 323.393 2.568 0 40 DFAB CC[C@H]1CCCCCN1C(=O)CCOc1ccc(C(N)=O)cc1 96451343 PPUUKFAMIWYHID-HNNXBMFYSA-N 318.417 2.736 0 40 DFAB CS(=O)(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 96500109 QWGOQLMAAGULIR-MRVPVSSYSA-N 321.242 2.858 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1(c3ccccc3)CCC1)C2 97198530 CMVPYUOWOPRAEJ-MRXNPFEDSA-N 309.413 2.744 0 40 DFAB CCN1CCO[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 96466400 JYJZDTLRDCEPOW-OAHLLOKOSA-N 323.824 2.574 0 40 DFAB Cn1cccc1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 96475355 WOSVFFCAQSHRTM-CYBMUJFWSA-N 312.291 2.507 0 40 DFAB CC(=O)N[C@@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1 96453577 NAXMAJRDFYWXSA-CYBMUJFWSA-N 303.793 2.993 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cnn(C)c21 96060063 LFHHSFYZMMBDBF-CQSZACIVSA-N 305.447 2.926 0 40 DFAB COc1ccc(C(=O)CCc2nc(N(C)C)no2)c(Cl)c1 96500015 GRQDTCBXMUFOHW-UHFFFAOYSA-N 309.753 2.613 0 40 DFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2N)cc1 242538763 JFKFYIUGODNXAZ-KURKYZTESA-N 315.438 2.824 0 40 DFAB CN(C)C(=O)CN1CCC(Cc2cccc3cccnc23)CC1 257222888 DUZUOGPWLUZEAP-UHFFFAOYSA-N 311.429 2.578 0 40 DFAB CC[C@H](C(=O)O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 263570508 IHVWKLITDVHZJD-CYBMUJFWSA-N 316.323 2.691 0 40 DFAB CO[C@H]1CSC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2 575403963 JNHKIGUMUFJHCL-LLVKDONJSA-N 309.456 2.583 0 40 DFAB CCN(c1ccc(C(=O)N[C@H](C)c2nncn2C)cc1)C(C)C 65608603 JLEHLVAHQIHLDX-CYBMUJFWSA-N 315.421 2.541 0 40 DFAB Cc1cc(C)n([C@@H](CNC(=O)c2ccno2)c2cccs2)n1 585367654 QWHNVOOOWIRDMQ-LBPRGKRZSA-N 316.386 2.569 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2Cc2cc(C)on2)cs1 1615189370 KJCJPRTVDVBFDI-CYBMUJFWSA-N 306.391 2.735 0 40 DFAB COc1ccc(NC(=O)CSCc2csc(N)n2)cc1 11920162 BEZRIEWWBUDSSV-UHFFFAOYSA-N 309.416 2.606 0 40 DFAB Cc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)O)cc1 5740459 RBBPBKMDKFDPAY-KHPPLWFESA-N 321.340 2.752 0 40 DFAB COc1ccc2nc3c(cc2c1)CN(CC1CC1)C(=O)[C@H](C)O3 12115586 PSKZQDUQLIBLRR-NSHDSACASA-N 312.369 2.763 0 40 DFAB Cc1nn(C)cc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 14249264 GOKHOUJWHFRLNB-UHFFFAOYSA-N 321.446 2.505 0 40 DFAB C[C@@H](Cc1ccccn1)N(C)Cc1ccnc(N2CCCC2)n1 19456962 LHVCMLVCBWJFEY-HNNXBMFYSA-N 311.433 2.535 0 40 DFAB Cc1sc(NC(=O)CN2CCCC[C@H]2C(=O)O)c(C)c1C 158350815 PJCLOVWAEHUAGL-LBPRGKRZSA-N 310.419 2.551 0 40 DFAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1 6297464 QBPNFOBHLXWUEF-NTEUORMPSA-N 310.309 2.672 0 40 DFAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2CC2)n1C 5209901 YLOIXOFSSAWIOK-NSHDSACASA-N 316.430 2.550 0 40 DFAB CC(C)CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1 585500068 ZAIHOAXLRYCTSY-UHFFFAOYSA-N 305.466 2.909 0 40 DFAB CC(C)c1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)no1 72243716 HKMMUEILFMJOHW-UHFFFAOYSA-N 302.256 2.809 0 40 DFAB C[C@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 40103621 XSYQKUJBGNRQKC-CYBMUJFWSA-N 322.372 2.588 0 40 DFAB CCOC(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C 146202 SXGPPFBNRILYMN-UHFFFAOYSA-N 308.403 2.722 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN(c2ncccn2)C1 1357876 XVKAOJPLBQBVAS-MRXNPFEDSA-N 322.412 2.820 0 40 DFAB COc1cccc([C@@H](NC(=O)CC(C)C)c2nccn2C)c1 29092638 XLHWDMXOSAZPCT-MRXNPFEDSA-N 301.390 2.680 0 40 DFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1 50735564 RPBFWIBHJFUEJY-KGLIPLIRSA-N 320.408 2.983 0 40 DFAB Cc1csc2nc(CSCCc3ccccn3)cc(=O)n12 40511808 WXKUBQDPRHJMLM-UHFFFAOYSA-N 317.439 2.935 0 40 DFAB CCNc1nnc(SCc2cc(C)c(C(=O)OC)o2)s1 45872129 BXVCOILGGBXPIL-UHFFFAOYSA-N 313.404 2.950 0 40 DFAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(S)[nH]1 6926127 DUTZHGRKHMHBJY-UHFFFAOYSA-N 303.269 2.756 0 40 DFAB CSc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 7053497 LYCQWSAPBYGDFU-UHFFFAOYSA-N 323.395 2.908 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1F 7361156 LTNFNMCGKAWYQM-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1 8699249 UMSPNQKPXWOGLL-ZIAGYGMSSA-N 321.373 2.730 0 40 DFAB Cc1occc1C(=O)NC[C@H](C)N1CCc2sccc2C1 32428695 GUPYQKHNKZAYPZ-NSHDSACASA-N 304.415 2.826 0 40 DFAB CCc1nnc(CSc2nc(-c3ccccc3)cn2N)o1 29850971 IVGNWPWBHUYQKY-UHFFFAOYSA-N 301.375 2.502 0 40 DFAB COc1ccc([C@@H](NC(=O)c2cn3cccnc3n2)C2CC2)cc1 52426754 CFEURALWPZOFFJ-INIZCTEOSA-N 322.368 2.619 0 40 DFAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1cccc(F)c1 32873996 KLJLADLSUNVRPN-LLVKDONJSA-N 322.365 2.526 0 40 DFAB CN1CCC[C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 9876647 HQWMZLNSPAALTC-IILDEKEXSA-N 305.466 2.596 0 40 DFAB CCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=S 488939 JJOYTUWEDAYUHH-IINYFYTJSA-N 313.426 2.993 0 40 DFAB biogenic O=C(NC[C@@H]1CCCO1)c1ccccc1C(=O)c1ccccc1 21633471 FAUZHBWFOKJQHW-HNNXBMFYSA-N 309.365 2.826 0 40 DFAB CN(C)[C@@H](CNC(=O)C1CCCCC1)c1ccc2c(c1)OCO2 12196032 SYWOWLVWKVPKBG-HNNXBMFYSA-N 318.417 2.715 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(F)cc1 101748058 FUUAOXCZTSOACV-MBIARJLFSA-N 301.317 2.533 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 8234739 UOUKGLQQWZQCFM-ZFWWWQNUSA-N 312.413 2.755 0 40 DFAB CC[C@H](Oc1ccccc1F)C(=O)NCCC1CCN(C)CC1 175498739 XPAYWBVFVMFAFZ-INIZCTEOSA-N 322.424 2.831 0 40 DFAB C[C@@H](CC(=O)N(C)C1CCCCC1)NC(=O)c1ccccc1 22241168 HJIUEZHMFAUTGX-AWEZNQCLSA-N 302.418 2.986 0 40 DFAB CO[C@@H](C(=O)NCCSc1ccccn1)c1ccccc1 20238633 OSARHGKYEGUCJN-OAHLLOKOSA-N 302.399 2.678 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3ccccc23)no1 8255111 YVJGWJFJYDXKIY-SNVBAGLBSA-N 313.313 2.648 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1ccsc1 100214563 MLAIKGLLMAIEMZ-CHWSQXEVSA-N 301.415 2.684 0 40 DFAB C[C@H](NC(=O)Cc1cnn(C)c1)c1nc(C(C)(C)C)cs1 106677883 NQBXSHIOALFGRZ-JTQLQIEISA-N 306.435 2.594 0 40 DFAB CCCCC[C@H](C)NC(=O)Cn1cccc(C(F)(F)F)c1=O 43586699 KCLDWLWGPOLFLN-NSHDSACASA-N 318.339 2.952 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1F 56018268 AFMXGEPYDFTPPF-HZPDHXFCSA-N 320.364 2.568 0 40 DFAB C[C@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C[C@@H](C)O1 12534388 GGXVJPMITRWPQG-TXEJJXNPSA-N 317.414 2.784 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NCCNC(=O)c2ccccc2)C1(C)C 25517279 FUAFZFMOZYNAOY-HZPDHXFCSA-N 314.429 2.771 0 40 DFAB CNc1cc(N2CCC[C@H]2CNc2nc3ccccc3o2)ncn1 107294894 XERYLTONNBVBQI-LBPRGKRZSA-N 324.388 2.740 0 40 DFAB COc1cc(C(=O)Nc2nc(C)cs2)cc(OC)c1OC 3179110 BZDIUEVLSFGECN-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB CCc1ncncc1C(=O)N1CCN(c2cccc(C)c2C)CC1 44279092 CPOOLCCRKHGDAC-UHFFFAOYSA-N 324.428 2.618 0 40 DFAB O=C(Cc1cccs1)NCc1ccccc1Cn1cccn1 27253866 XXIIDKPDAYCFFL-UHFFFAOYSA-N 311.410 2.852 0 40 DFAB Cc1cccc([C@@H](NC(=O)NCc2ncnn2C)C(C)(C)C)c1 89669078 DQLPVGNCXLVAQH-OAHLLOKOSA-N 315.421 2.710 0 40 DFAB COC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1 3217323 XHYLLHHDEUIZPL-UHFFFAOYSA-N 312.369 2.544 0 40 DFAB CCCc1onc(C)c1C(=O)NC[C@@](C)(O)c1cc(C)oc1C 81818185 HRQNIOJYZYQDQT-QGZVFWFLSA-N 320.389 2.783 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27880833 ZXVWGWIKTBQOKL-GWCFXTLKSA-N 317.414 2.811 0 40 DFAB COC(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 48008819 LFCDNCAQRGHIAR-UHFFFAOYSA-N 316.332 2.977 0 40 DFAB Cc1cc(C)n2cc(CSC(=S)N3CCCC3)nc2n1 48215745 UYIVMFNQBWFEGB-UHFFFAOYSA-N 306.460 2.960 0 40 DFAB Cc1nc2ccccc2nc1Cn1nnc(-c2ccccc2)n1 48302161 CPTVEUDFXBQVTE-UHFFFAOYSA-N 302.341 2.640 0 40 DFAB CSc1cccc(NC(=O)CCNC(=O)c2ccco2)c1 3455888 GHZNHGVKARIHLU-UHFFFAOYSA-N 304.371 2.760 0 40 DFAB CC(C)(NCC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 69596583 HCIWFJYGONUIHI-UHFFFAOYSA-N 308.731 2.843 0 40 DFAB CCc1nc(Sc2oc(C=O)cc2Br)n[nH]1 408554470 FAOXAXQLBODDCA-UHFFFAOYSA-N 302.153 2.686 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2N)C1 5118372 PEJVJCWAZNEGNE-GHMZBOCLSA-N 324.808 2.584 0 40 DFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-n2cncn2)nc1 65443541 UICTUCKGJFVRPM-OCCSQVGLSA-N 314.393 2.705 0 40 DFAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)N1 14011277 IDVAZHOZROBHNG-DHDCSXOGSA-N 312.300 2.585 0 40 DFAB C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCCN[C@H]42)[C@@H]2CCCCN2C3)NC1 5382584 YUKCLPPRYNXRAF-HUTLCRKWSA-N 317.521 2.761 0 40 DFAB biogenic Cn1cnnc1C1CCN(C(=O)CCCc2cccs2)CC1 65593649 XOJHQOPEPBBZKR-UHFFFAOYSA-N 318.446 2.606 0 40 DFAB COCCCC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 65626604 LHVNRFBAUFTDOL-UHFFFAOYSA-N 305.418 2.903 0 40 DFAB O=C1O[C@H](C(=O)N2CCCc3ccccc32)Cc2ccccc21 14240188 WWBMRYYLJSHCER-KRWDZBQOSA-N 307.349 2.748 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2nc(C)cs2)c(OC)c1 4736079 PNLJPUHMLRLUSI-JTQLQIEISA-N 321.402 2.908 0 40 DFAB NC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 14797306 IQLSVDGMADXMQD-UHFFFAOYSA-N 322.368 2.631 0 40 DFAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC1CC1 5763327 DSNIFFNYPJICSZ-UHFFFAOYSA-N 320.820 2.513 0 40 DFAB CC(C)(C)SCC(=O)Nc1ccc(N2CCOCC2)cc1 8707279 ZTIGRVNXVKAADN-UHFFFAOYSA-N 308.447 2.993 0 40 DFAB Cc1cccc(OCCC(=O)N2CC(=O)Nc3ccccc32)c1 5937351 NXSNJDBEMXZVBA-UHFFFAOYSA-N 310.353 2.749 0 40 DFAB O=c1c2ccccc2nc2n1CCCN2Cc1ccccc1F 9047446 OUUFRVDYPGDRNS-UHFFFAOYSA-N 309.344 2.946 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)c3ccccc23)CN1 19735845 JVVAJAQAKBOGNU-HZMBPMFUSA-N 305.761 2.776 0 40 DFAB CCc1cccc(NC(=O)CNC(=O)c2ccccc2F)c1 9482657 VJHUNEZTDUAEOV-UHFFFAOYSA-N 300.333 2.757 0 40 DFAB C[C@H]1COCCN1C(=O)/C=C/c1csc(Br)c1 96407153 BUMNCCJBLNSTNP-HPOULIHZSA-N 316.220 2.771 0 40 DFAB CCc1ocnc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 76044511 VWVVODJRUGTLQB-SNVBAGLBSA-N 304.350 2.721 0 40 DFAB Cc1cc(C)nc(NCC2(N3CCCCC3)CCOCC2)n1 84114496 KMTPKPOQBWRMBV-UHFFFAOYSA-N 304.438 2.540 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 72296951 UWQPNXJQHDLPGJ-MGPQQGTHSA-N 310.438 2.986 0 40 DFAB C[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1)c1ccsc1 97017956 ITPJCYPDLDPKHE-GFCCVEGCSA-N 303.383 2.965 0 40 DFAB CSc1nc(C(=O)OCCc2cccnc2)c2ccccn12 78948218 URQPNDSJSQGLGS-UHFFFAOYSA-N 313.382 2.851 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2nncn2-c2ccccc2)n1 95413655 MLASKJVTKFSNMY-NSHDSACASA-N 313.386 2.512 0 40 DFAB CCC1(CC)[C@@H](N(C)C(=O)N[C@@H](C)c2cnn(C)c2)C[C@H]1OC 95424806 XRVDOFSSEDIHKU-AEGPPILISA-N 322.453 2.716 0 40 DFAB Cc1nc2ccccn2c1CN(CCO)Cc1ccsc1 95413169 RPQNZCZVWBNMFN-UHFFFAOYSA-N 301.415 2.699 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)[C@H]1CCOC1)[C@@H](C)C2 110711878 VZHXKTWKYSMNSV-UICACZKSSA-N 302.418 2.953 0 40 DFAB COc1ccc(F)c(NC(=O)N(CCO)C2CCCCC2)c1 95939190 CJHVEYPDLWQULL-UHFFFAOYSA-N 310.369 2.993 0 40 DFAB Cc1csc(C(C)(C)NC(=O)c2ccc(C(=O)O)s2)n1 95969697 BRLGKJKEAMZDPY-UHFFFAOYSA-N 310.400 2.876 0 40 DFAB CC(C)(CNC(=O)NC[C@@H]1CCCOC1)Cc1ccccc1 172285999 HYEPEZDGAWITSP-INIZCTEOSA-N 304.434 2.981 0 40 DFAB COc1ccc(Cc2cc(CCN)cc(CCC(=O)O)c2)cc1 66352085 CZCQZPPJEGZYBA-UHFFFAOYSA-N 313.397 2.804 0 40 DFAB O=C(O)c1cc(C2CCN(C(=O)[C@H]3CC34CCCC4)CC2)no1 1548597880 POFHHVXLWJGYQZ-GFCCVEGCSA-N 318.373 2.659 0 40 DFAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)o1 409215327 ZACWDVXOSPFZAD-WUXMJOGZSA-N 323.370 2.824 0 40 DFAB CCn1c(=O)n(Cc2cc(C)c(C(=O)OC)o2)c2ccccc21 31609697 YCFVKGZQWQAJKU-UHFFFAOYSA-N 314.341 2.559 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1F 30287706 UDPGPZZALPNVQE-NSHDSACASA-N 309.362 2.874 0 40 DFAB Cc1nc(COC(=O)c2cnc(-c3ccsc3)s2)no1 79029152 LUCWFCYEYIVNMJ-UHFFFAOYSA-N 307.356 2.920 0 40 DFAB CC(=O)c1c(F)cccc1N[C@H]1CC(=O)N(CC(F)(F)F)C1 77995893 SYHPKQQOFLXTCC-VIFPVBQESA-N 318.270 2.603 0 40 DFAB CS(=O)(=O)N1CCC[C@H](c2cccc(NC3CCCC3)n2)C1 72364693 AIWLIOMPBYMNGB-ZDUSSCGKSA-N 323.462 2.575 0 40 DFAB O=C(O)CNC1CCC(N(Cc2ccccc2)C2CC2)CC1 79416286 IBRYHHGTBXDBBQ-UHFFFAOYSA-N 302.418 2.636 0 40 DFAB Cc1cc2c(cc(C(=O)OCC(=O)NC3CCCCC3)n2C)o1 35315831 AIWKLWURKVQANX-UHFFFAOYSA-N 318.373 2.685 0 40 DFAB Cc1nc(COc2ccccc2)sc1C(=O)N1CCOCC1 36107946 LRDXXDMFXYUZDV-UHFFFAOYSA-N 318.398 2.503 0 40 DFAB CCCN(Cc1cnn(C)c1)C(=O)Nc1ccc2[nH]ncc2c1 79355251 SIUMFCVTHHBXAM-UHFFFAOYSA-N 312.377 2.741 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 45952631 GNVLUCLFANEHGD-MRVPVSSYSA-N 302.157 2.909 0 40 DFAB C[C@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)c1ncon1 225667348 NZEGGVPGFLDWNC-LBPRGKRZSA-N 315.373 2.936 0 40 DFAB O=C([C@@H]1CCCO1)N1CCCc2ccc(N3CCCC3)cc21 41364669 OIGYXWMZEYKNRU-KRWDZBQOSA-N 300.402 2.745 0 40 DFAB C[C@@](CO)(NC(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 84878064 PWBZIRMOCQOISO-KRWDZBQOSA-N 317.364 2.899 0 40 DFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccn1 44848809 QKCSXZRSKMDWAH-MRXNPFEDSA-N 300.358 2.564 0 40 DFAB O=C(O)[C@@H]1C[C@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1 225606304 XMMRDVWAEOSRGS-HQRZJTNHSA-N 300.383 2.814 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCCC3)CC(=O)N2C)cc1 96181373 ZPGAPTGZZGIRDU-SJLPKXTDSA-N 314.429 2.917 0 40 DFAB c1csc(-c2n[nH]c(CSc3nc(C4CC4)n[nH]3)n2)c1 93903743 GZSYCJUCWRGBQG-UHFFFAOYSA-N 304.404 2.821 0 40 DFAB Cc1cccc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)n1 96206245 IPMKYDIWTOMOIZ-IEBWSBKVSA-N 316.445 2.655 0 40 DFAB Cc1c2ccc(NC(=O)N[C@]34C[C@H]3COC4(C)C)cc2nn1C 529103535 IKHKNCWUZLWUKS-APPDUMDISA-N 314.389 2.571 0 40 DFAB NC(=O)CCN(Cc1noc2c1CCCC2)c1ccc(F)cc1 96419570 YVNIMXBSOXCCOM-UHFFFAOYSA-N 317.364 2.575 0 40 DFAB Cc1ccc(N2CCC3(CCN(CC4CC4)CC3)CC2)nn1 96047357 FNIVNVRXKKVAAR-UHFFFAOYSA-N 300.450 2.877 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)n2)C1 95087077 CIUXZUTZWHMGLL-SNVBAGLBSA-N 312.801 2.624 0 40 DFAB CC1(C)CCC[C@@H]1NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 96502249 JBHIZDTVUNXXNL-KGLIPLIRSA-N 310.438 2.750 0 40 DFAB COc1nc(C)cc(C)c1CNc1ccc(-n2ccc(C)n2)nn1 96413725 RQMRMVRZTPMRJN-UHFFFAOYSA-N 324.388 2.603 0 40 DFAB CN(C)[C@H](CNC(=O)CCc1ccco1)c1c(F)cccc1F 96406374 HXVFDBFQYGDFSF-OAHLLOKOSA-N 322.355 2.910 0 40 DFAB CCOC(=O)c1csc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccco2)n1 96451945 NLSPONHHQDKJSC-VHSXEESVSA-N 320.370 2.679 0 40 DFAB Cc1cc(C)nc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1 96455884 LLMOHESPQFWXII-INIZCTEOSA-N 305.422 2.648 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2C(C)(C)O)C1 245343934 WNJGDOTVJPIUCW-XQQFMLRXSA-N 300.468 2.606 0 40 DFAB Cc1occc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 248043974 UMTRWLXALQXAMH-KGLIPLIRSA-N 316.382 2.670 0 40 DFAB C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)[C@H]1COc2ccccc21 251438349 CQTWADFLAYYCTR-JGGQBBKZSA-N 320.433 2.647 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 257257538 KQBDTCROZRLIJT-CQSZACIVSA-N 309.369 2.510 0 40 DFAB O=C(N[C@@]1(C(=O)O)CC2CCC1CC2)OCc1ccccc1 253187191 UIDHTBJNOGLOIM-AJUCZRQESA-N 303.358 2.946 0 40 DFAB O=C(NCCCOCC(F)(F)F)N1CCc2cc(F)ccc21 252495770 OZSPJHUIONZGPZ-UHFFFAOYSA-N 320.286 2.867 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)C(=O)NC1CCCCC1 298086747 FUHCTRKNXUTNTP-UHFFFAOYSA-N 318.417 2.539 0 40 DFAB CCC[C@H](NC(=O)c1ccc2nn[nH]c2c1)[C@H](O)c1ccccc1 390834144 SUJDIPUONQQPSC-DOTOQJQBSA-N 324.384 2.590 0 40 DFAB COc1ccc(NC(=O)N2CCc3c(C(=O)O)cccc32)cc1 584904599 ODTMRXPGTGSFJI-UHFFFAOYSA-N 312.325 2.988 0 40 DFAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc2[nH]c(C)cc2c1 55223577 VAHILGIHNZTZAA-LLVKDONJSA-N 308.403 2.628 0 40 DFAB O=C(NC1CCSCC1)N1CCO[C@H](c2cccc(F)c2)C1 67416946 KHOZNSXQLJVHPA-HNNXBMFYSA-N 324.421 2.804 0 40 DFAB O=C(COc1cccnc1Cl)Nc1cccc2nsnc12 71911277 JRNFWMHHLHRCID-UHFFFAOYSA-N 320.761 2.757 0 40 DFAB Brc1ccc(NCCCOC2CCOCC2)nc1 78338842 YFTHYBSIJOEPOA-UHFFFAOYSA-N 315.211 2.842 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccnc(C)n2)C1(CC)CC 81616199 ZYJFZGCGHLKUMO-GJZGRUSLSA-N 305.422 2.841 0 40 DFAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(F)cc2)c1 5184010 PGIUXDYZBKDZJK-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB CN1CCC2(CC1)OCCN2C(=O)c1cccc2ccccc12 13692391 NXVGJSBTGULHQF-UHFFFAOYSA-N 310.397 2.734 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)C(C)C 19295909 QVGLJKQHJSZNQE-BDJLRTHQSA-N 302.374 2.771 0 40 DFAB CCCCN1C(=S)S[C@@H](C(=O)Cc2cccc(C)c2)[C@@H]1N 19842811 GZBRZLVWFXVCQM-LSDHHAIUSA-N 322.499 2.894 0 40 DFAB C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986735 AHBGVVDLUMLZGI-HNVJURQZSA-N 305.418 2.674 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2nc(C(C)=O)cs2)c1 9114315 GDTROQBWLWGGPI-UHFFFAOYSA-N 306.343 2.615 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 9154698 BKRFBYGSJYXLIT-GFCCVEGCSA-N 309.431 2.747 0 40 DFAB CSc1ccc(C(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cc1 1888869792 SYFNNAXQFMKHAU-GJZGRUSLSA-N 316.470 2.965 0 40 DFAB Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21 1888976927 XLSSHOHPRSFAJY-UHFFFAOYSA-N 320.348 2.689 0 40 DFAB CCCCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncccn2)C1 30252352 NCHLLDDKGMZMDT-GJZGRUSLSA-N 304.438 2.778 0 40 DFAB C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 2037569098 FQZUHIGDGBLBST-FXXCCUJSSA-N 324.428 2.613 0 40 DFAB CC1CC(C(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)C1 1614934592 QXMSASVNIRZDFG-QWQCLYJRSA-N 318.442 2.750 0 40 DFAB CCCCCN[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)O 4280014 DHUHCRVWGHMJMB-ZDUSSCGKSA-N 312.797 2.902 0 40 DFAB COCC(=O)N1CCCc2ccc(NC(=O)NC(C)(C)C)cc21 22502984 INDFRKZCZSBXAH-UHFFFAOYSA-N 319.405 2.532 0 40 DFAB CCOc1ccc(C(=O)NC[C@@](O)(c2ccco2)C2CC2)cc1 75154886 ASJNNDDHZSEFAS-SFHVURJKSA-N 315.369 2.706 0 40 DFAB Cc1cc(OC(C)C)ccc1NC(=O)NCC(=O)NCC(C)C 50057811 QDPLTOZVULCHJZ-UHFFFAOYSA-N 321.421 2.676 0 40 DFAB CSc1ncccc1C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 40107578 BWOXEGYAVOMSBA-BETUJISGSA-N 307.463 2.511 0 40 DFAB O=C1NCCC[C@H]1NCc1ccc(F)c(-c2cccs2)c1 50395462 ZTCMIBAENIIFJD-CQSZACIVSA-N 304.390 2.922 0 40 DFAB O=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1cccs1 264225 PWTGIJPJCGHWIT-ACCUITESSA-N 316.382 2.734 0 40 DFAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 181537 PCTCOUMPCDNNQN-MRXNPFEDSA-N 307.353 2.953 0 40 DFAB COC(=O)c1ccccc1NC(=O)C1SCSCS1 115049 ZPXCEBJQOQYAEI-UHFFFAOYSA-N 315.441 2.866 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1 571949 YURXQVYQVDAJSI-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1ccccc1 1017311 RTEQFQLNPJNOME-AWEZNQCLSA-N 308.366 2.562 0 40 DFAB Nc1nccnc1C(=O)NCC(c1ccccc1)c1ccccc1 31422974 LXULVIDEDMJSJF-UHFFFAOYSA-N 318.380 2.621 0 40 DFAB C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1 4081890 YUKCLPPRYNXRAF-CPPNMTBBSA-N 317.521 2.761 0 40 DFAB biogenic CSCC[C@@H](NC=O)C(=O)Nc1ccc2ccccc2c1 4544529 SJCDRWNGPZQCPN-OAHLLOKOSA-N 302.399 2.646 0 40 DFAB S=C(NCCNC(=S)c1ccccc1)c1ccccc1 4718066 KDDRRFRHJOVBJG-UHFFFAOYSA-N 300.452 2.917 0 40 DFAB CCc1nnc2c(NCc3ccccn3)nc3ccccc3n12 7504149 SFYIYMFQXMMBJX-UHFFFAOYSA-N 304.357 2.847 0 40 DFAB Cn1ccs/c1=N\C(=O)c1ccc(COc2ccccc2)o1 7780485 LYWLQLJKUMKFHB-MSUUIHNZSA-N 314.366 3.000 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 20731379 VYUMFQNVAGBGBM-DYVFJYSZSA-N 312.344 2.984 0 40 DFAB CCc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 32778113 UDCTZEGRFJAUGQ-UHFFFAOYSA-N 306.369 2.760 0 40 DFAB O=c1cc(-c2ccco2)[nH]c2nc(SCc3ccccc3)nn12 101981568 HUCLRIDOVAUNFX-UHFFFAOYSA-N 324.365 2.970 0 40 DFAB Cc1cn2nc(NC[C@H](O)c3ccc(F)c(F)c3)sc2n1 29588622 CPCDDDIYPKDQPM-NSHDSACASA-N 310.329 2.523 0 40 DFAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2[nH]nnc2c1 32895221 XKQFFODLFNAPHB-UWVGGRQHSA-N 312.295 2.809 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@H](c2nc(C)no2)C1 52861728 HPWSDGVFAXGJHG-LBPRGKRZSA-N 305.353 2.905 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)O 538664 ZYALOEVGEPBFDO-PELKAZGASA-N 314.769 2.969 0 40 DFAB Cc1c(C(=O)N[C@H](C)Cn2ccnc2)oc2c(F)cccc12 42532594 OIMPXWSDHFKLHO-SNVBAGLBSA-N 301.321 2.895 0 40 DFAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)[C@H]1C[C@H]2CC[C@H]1C2 105763750 GUSWTEAJXPEGMF-PWNZVWSESA-N 321.442 2.645 0 40 DFAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Sc1ncccn1 3048234 OFSPIFZUZFNKMK-ZIAGYGMSSA-N 315.398 2.981 0 40 DFAB COCc1ccccc1CNC(=O)c1ccc(OC)cc1F 25305106 XESIFBVJJNRQKQ-UHFFFAOYSA-N 303.333 2.911 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1C[C@@H](C)OC(C)(C)C1 107343663 WRJKREMMRVEJMB-RRFJBIMHSA-N 312.454 2.791 0 40 DFAB CCc1noc([C@H](C)N(C)CC(=O)Nc2ccc(C)cc2)n1 44289093 AYNJCDIWXVGGFM-LBPRGKRZSA-N 302.378 2.572 0 40 DFAB COCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 58007551 ITFLKXKTEKUWDN-UHFFFAOYSA-N 314.172 2.823 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](O)c2cccc(F)c2)c1 58195064 FJXAALUEJRPTIO-OAHLLOKOSA-N 304.321 2.689 0 40 DFAB COc1ccc(NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 3277612 RFNBKFSMNLRTJY-UHFFFAOYSA-N 314.370 2.674 0 40 DFAB O=C(O)c1cc(-n2ncc3ccccc3c2=O)ccc1Cl 3264277 GGOUARAEQDUFPV-UHFFFAOYSA-N 300.701 2.737 0 40 DFAB COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1O 10278999 PZOZCKRXXJPCKB-UHFFFAOYSA-N 309.325 2.839 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3=O)no1 58294841 DKQJSYYQWCPTET-NSHDSACASA-N 314.341 2.908 0 40 DFAB CCCNC(=O)C[S@@](=O)Cc1c(Cl)cccc1Cl 58224150 GFUBVQATOFUGPE-GOSISDBHSA-N 308.230 2.768 0 40 DFAB Cc1c([C@@H](C)NC(=O)COC(C)C)cnn1-c1ccc(F)cc1 58341219 VOGHZIBFRGQRKB-GFCCVEGCSA-N 319.380 2.922 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 48393666 VDNITEYEBQJTDZ-RYUDHWBXSA-N 305.378 2.676 0 40 DFAB FC(F)Oc1ccc(I)nc1Cl 953061868 NJPXBEXZDDRMGT-UHFFFAOYSA-N 305.449 2.941 0 40 DFAB COCC(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 12984726 DUWBCBYBJPFOLE-UHFFFAOYSA-N 303.387 2.830 0 40 DFAB O=C(COc1ccc(F)cc1Cl)NC(=O)c1ccccc1 12926483 GVPWCZCTWMDZLT-UHFFFAOYSA-N 307.708 2.815 0 40 DFAB O=C(CCN1CCSC1=O)Nc1ccc(F)c(Cl)c1 12905440 XJURXJOBXSUNLY-UHFFFAOYSA-N 302.758 2.977 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC(c4nncn4C)CC3)cc2c1 69416604 ISOOBYPIERUDCZ-UHFFFAOYSA-N 324.384 2.890 0 40 DFAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 13140803 CPVALOGMCOTEPN-VAWYXSNFSA-N 317.348 2.986 0 40 DFAB Cc1ccccc1OCC(=O)N[C@@H](CC(=O)O)c1cccs1 13389392 GOKCHQORWYNPPK-LBPRGKRZSA-N 319.382 2.768 0 40 DFAB C[C@H]1CN(Cn2nc(-c3cccs3)[nH]c2=S)C[C@H](C)O1 16075326 HDBPBFJWCNFNMO-UWVGGRQHSA-N 310.448 2.736 0 40 DFAB Cc1nc(C2CCCC2)sc1C(=O)Nc1c[nH]c(C(N)=O)c1 176775023 CEMMYLNEEXOIPK-UHFFFAOYSA-N 318.402 2.788 0 40 DFAB CC(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C)s1 7941737 JIWJQOKUJVVIEV-UHFFFAOYSA-N 316.426 2.942 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc2ccccc2s1)C1CCCC1 16469162 KQMYCWPNOXVRHM-CQSZACIVSA-N 317.414 2.930 0 40 DFAB COc1ccc(C(=O)N2CCCN(CC(C)C)CC2)cc1OC 69665837 ANPFXLKLMODVRR-UHFFFAOYSA-N 320.433 2.508 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)N[C@H](C)c1ccccc1 5391248 NIRLIFAPPHRNBS-LLVKDONJSA-N 316.357 2.580 0 40 DFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)C1(c2ccccc2)CC1 69518645 DAPMXOASXKLURO-INIZCTEOSA-N 317.335 2.846 0 40 DFAB C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nccn2C)CC1 69528055 AXBRCKCBNHXWNT-ZDUSSCGKSA-N 320.387 2.577 0 40 DFAB CNc1cc(C(=O)N(C)OCc2ccccc2)cc(Cl)n1 83884212 VMATZXJGZOZQGT-UHFFFAOYSA-N 305.765 2.981 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCCN2c2ncnc3ccccc23)n1 69872225 WODUGWNWJSPYAE-HNNXBMFYSA-N 322.416 2.897 0 40 DFAB CCn1nc(C(=O)OC2CCCCC2)c2ccccc2c1=O 8876826 UYEYTUQMIDZEBA-UHFFFAOYSA-N 300.358 2.906 0 40 DFAB CC(=O)NCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 71907548 RNYSLFWNKZLLDQ-SFHVURJKSA-N 316.445 2.699 0 40 DFAB CCOCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)o1 8924618 HHNMVKFBXMGVTQ-UHFFFAOYSA-N 303.314 2.855 0 40 DFAB CC[C@](C)(NC(=O)CSCc1ccc(Cl)cc1)C(=O)O 94220234 XSVZIABGELUONH-AWEZNQCLSA-N 315.822 2.943 0 40 DFAB COC(=O)c1sccc1NC(=O)COc1ccc(OC)cc1 9076955 YQIPQPHMKBMOJF-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB COc1ccccc1/C=C/CN[C@@H](C)c1nnc2n1CCCC2 89913847 KODIRCAOJKKPER-KGXGESDWSA-N 312.417 2.987 0 40 DFAB COCCOC1CCN(Cc2cc(F)c(F)cc2F)CC1 93339701 METBYFAJVDFKDQ-UHFFFAOYSA-N 303.324 2.731 0 40 DFAB Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1C=O 9428949 AZFBXTZFBLIYCH-UHFFFAOYSA-N 324.789 2.882 0 40 DFAB O=C(CCc1ccc(Cl)cc1)N1CC[C@](O)(C(F)(F)F)C1 78026286 ATKFGBWJJJNAED-CYBMUJFWSA-N 321.726 2.798 0 40 DFAB Cc1cc(C(=O)NCc2ccc(C)o2)nc(N2CCCCC2)n1 72239847 QWGPTPRDHYFYSH-UHFFFAOYSA-N 314.389 2.607 0 40 DFAB Cc1occc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 97017811 RRRCRSYUOVAOSK-LBPRGKRZSA-N 301.342 2.951 0 40 DFAB CCC[C@H]1SCCN1S(=O)(=O)c1ccc(F)cc1F 97032223 RDCYPRPDMKNAPY-GFCCVEGCSA-N 307.387 2.829 0 40 DFAB COc1ccc(CN2CCC(O)(C(F)(F)F)CC2)c(OC)c1 97095444 DSFYNKBXLWBZDO-UHFFFAOYSA-N 319.323 2.593 0 40 DFAB COc1ccc(CCN2CCc3c(nc(C4CC4)n3C)C2)cc1 84310877 BNFUQVRJLGZAHJ-UHFFFAOYSA-N 311.429 2.907 0 40 DFAB O=S(=O)(N1C[C@H]2CC=CC[C@H]2C1)N1CCC[C@H]1c1ccco1 78881079 VDRRKULWBADDCZ-ZNMIVQPWSA-N 322.430 2.559 0 40 DFAB CCCC1(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 95426236 LBSPIOVOWMVEHK-CZUORRHYSA-N 312.479 2.921 0 40 DFAB COC(=O)[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 95435891 ATSNGKCSOUTMCE-AWEZNQCLSA-N 303.402 2.766 0 40 DFAB CNC(=O)c1cccc(NC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)n1 95437966 QDRIRKZXLRETTQ-DYEKYZERSA-N 316.405 2.626 0 40 DFAB CC(C)NC(=O)[C@@H]1CCC[C@H](NC2Cc3ccccc3C2)C1 95422580 KEBYQLBSRVPUQQ-SJORKVTESA-N 300.446 2.827 0 40 DFAB C[C@@H](OC[C@H](O)CNc1ncnc2ncccc12)c1ccccc1 95434853 WYPIGWQIEOLQMW-UKRRQHHQSA-N 324.384 2.575 0 40 DFAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccc(C=O)cc1 409177689 CBVZKLOGKRTDCY-UHFFFAOYSA-N 315.300 2.742 0 40 DFAB C[C@H](CNC(=O)Nc1cc(F)ccc1F)CC1(C)OCCO1 75094175 OHIRWDMOODAINF-JTQLQIEISA-N 314.332 2.876 0 40 DFAB CSCCN(C)C(=O)Nc1ccc(Br)c(C)n1 128469988 HDJNSADWDPUYQX-UHFFFAOYSA-N 318.240 2.979 0 40 DFAB CC(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 78190682 JZLXGKWRZJBWEO-CPCISQLKSA-N 322.714 2.584 0 40 DFAB C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 72203967 ZZBRODJIOYUUOZ-KBPBESRZSA-N 320.437 2.917 0 40 DFAB CCOCCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 33317669 PUBCDMCJVDCWDC-INIZCTEOSA-N 301.390 2.756 0 40 DFAB C[C@H]1CC(=O)N(Cc2nc(-c3c(F)cccc3F)cs2)C1=O 128122671 SBZYVJFABHFBKZ-QMMMGPOBSA-N 322.336 2.983 0 40 DFAB COc1ccc(CN2C(=O)[C@@H]3CCCN3c3ncccc32)cc1 72324302 KVMOIPGCEIEOJJ-INIZCTEOSA-N 309.369 2.606 0 40 DFAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(CC(C)(C)C)C[C@@H]12 72395812 HNWNJAIZTMQQLX-BEFAXECRSA-N 314.429 2.692 0 40 DFAB Cc1cc(N2C[C@H](C(=O)O)CC2=O)cc(C)c1Br 45889598 FTFLFGSVAXMLDC-SECBINFHSA-N 312.163 2.503 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC[C@@H](O)c2cccs2)o1 195530624 FPBRXGFUSNYMQC-RAIGVLPGSA-N 320.414 2.997 0 40 DFAB CC(C)(C)c1nc(N2CC[C@@H](OCc3ccncc3)C2)no1 192905434 RLPDNQRNFDINMN-CYBMUJFWSA-N 302.378 2.558 0 40 DFAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225601819 DOVKDRJRXQBSNI-GOSISDBHSA-N 320.433 2.915 0 40 DFAB Cc1ncc(CNCC2(O)CCSCC2)n1-c1ccccc1 84045328 JLYZSTFDHNUUJI-UHFFFAOYSA-N 317.458 2.528 0 40 DFAB COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 225479365 KKTRGGUNCLIGAL-RDJZCZTQSA-N 324.380 2.669 0 40 DFAB biogenic,in-vitro Cc1cc(NCCCS(C)(=O)=O)cc(C)c1Br 191698522 YNPGJPYOGVRCKI-UHFFFAOYSA-N 320.252 2.913 0 40 DFAB CO[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437558 JVPLDKVTICOKQD-SJORKVTESA-N 319.449 2.505 0 40 DFAB O=C(c1ccsc1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96055841 KHQNCAGUAICNIA-JKSUJKDBSA-N 313.426 2.632 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCC3(CC2)OC[C@@H](C)O3)on1 96423762 IQTXVBWLCBHHIJ-GFCCVEGCSA-N 322.405 2.946 0 40 DFAB Cc1nc([C@@H]2CN(Cc3ccc(F)cc3Cl)CCO2)no1 95958076 QKSUGNSAWPDELF-ZDUSSCGKSA-N 311.744 2.744 0 40 DFAB Cc1ccc(C)c(CN2CC[C@@]3(C[C@@H](N(C)C)CCO3)C2)c1 96110904 STGIOKDNLZSTJC-RBUKOAKNSA-N 302.462 2.989 0 40 DFAB C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@H]1c1ccccc1 96432159 KVTJUNYVNDMLNO-MEDUHNTESA-N 307.353 2.689 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)c1 96403468 SYVUDJAFIXSGNT-KGLIPLIRSA-N 316.401 2.805 0 40 DFAB c1ccc(N2CCC(NCCc3ccc4c(c3)CCO4)CC2)nc1 95422433 MTJBOLWTGGBSKZ-UHFFFAOYSA-N 323.440 2.818 0 40 DFAB COc1ccc([C@H](OCCC(=O)O)C(F)(F)F)cc1OC 95096456 MHVAWXIXSKSLSR-LBPRGKRZSA-N 308.252 2.799 0 40 DFAB Cc1noc([C@H]2CCN(c3ccncc3Br)C2)n1 333699508 NURGBGGFHJVWLA-VIFPVBQESA-N 309.167 2.529 0 40 DFAB Cc1ncc(CNC(=O)c2cccs2)c([C@@H]2CCCN2C)n1 257274591 NLTDYYPRMBMHMK-ZDUSSCGKSA-N 316.430 2.543 0 40 DFAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C3CCOCC3)C[C@@H]21 257213641 CIMBAZSOQCRYSM-UWWQBHOKSA-N 302.418 2.658 0 40 DFAB CC(=O)N1[C@H]2CC[C@H]1c1c(Nc3cccc(F)c3)n[nH]c1C2 257246191 ISYSQXUIZWEUFB-JSGCOSHPSA-N 300.337 2.901 0 40 DFAB O[C@@H](Cn1nnnc1-c1cccc(Cl)c1)C1CCCCC1 642813787 YPKLVGMUGYEPBA-AWEZNQCLSA-N 306.797 2.935 0 40 DFAB COC(=O)Nc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 585140744 JCVPUVPHCSKMFZ-MRXNPFEDSA-N 319.405 2.530 0 40 DFAB CCO[C@H]1C[C@@](O)(CNc2ncnc3ccsc23)C1(C)C 682723032 KKYNKIJGOPGKHD-XHDPSFHLSA-N 307.419 2.669 0 40 DFAB Oc1cc(N=c2cc[nH]cc2)ccc1I 685937878 YHYXWKSOKJNVDT-UHFFFAOYSA-N 312.110 2.557 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)NCc2cccs2)cc1 43953189 SDTNYEVAPYHBLQ-UHFFFAOYSA-N 324.427 2.863 0 40 DFAB COCCn1cc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 44973038 PANXLJHLJCLVBB-CYBMUJFWSA-N 320.418 2.960 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(NC3CC3)nc2)on1 57214724 AMNXCPPKLIZOIS-AWEZNQCLSA-N 312.373 2.930 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCSCC1 65554487 DXOXFONJDMZWQW-JTQLQIEISA-N 301.358 2.698 0 40 DFAB COC[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 65591817 HREGVIDQHCKYSM-CYBMUJFWSA-N 306.410 2.571 0 40 DFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC=CCC1 75170254 ZTTAXHJEPCJXKZ-IUODEOHRSA-N 313.319 2.909 0 40 DFAB NC(=S)c1ccc(C(F)(F)Br)nc1Cl 1848351062 QVXRKYKQBPPOFW-UHFFFAOYSA-N 301.543 2.813 0 40 DFAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cccc(F)c1 12141822 IQUJKCMNDJWRGA-MRXNPFEDSA-N 313.328 2.960 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2cccc3cn[nH]c23)cc1 12795258 AXJHYXUGOZYSQE-UHFFFAOYSA-N 317.370 2.762 0 40 DFAB Cc1ccc(F)c(NC(=O)c2ccccc2S(C)(=O)=O)c1 15317062 UWBYMAOEALAACQ-UHFFFAOYSA-N 307.346 2.790 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nc1ccc(F)c(F)c1 102308179 SPQAOOUJELOKGO-AWRWRYAPSA-N 307.296 2.816 0 40 DFAB COc1ccc(C(=O)CCC(=O)NC2CCCC2)cc1OC 14169491 JYYZOTLMDJZVFU-UHFFFAOYSA-N 305.374 2.726 0 40 DFAB CC(C)(CNC(=O)c1ccncc1)N1CCc2ccccc2C1 25460729 FHULRCQPXMYACQ-UHFFFAOYSA-N 309.413 2.648 0 40 DFAB O=C(O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccco1 4717918 SQUSPJDGUIRXOA-LBPRGKRZSA-N 307.733 2.808 0 40 DFAB Cc1ccc(C(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc1 1775973560 NVXHSCHDZWCRNA-UHFFFAOYSA-N 315.348 2.608 0 40 DFAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Br)s1 40217850 DERDPQGGQJHRBB-JGVFFNPUSA-N 304.209 2.760 0 40 DFAB CCOC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)Nc2ccccc21 20031741 CLTBXYWPJVGTME-GOSISDBHSA-N 313.328 2.821 0 40 DFAB O=C1NCC[C@H]1Nc1ccc(Br)c2ccccc12 90996434 KUSJBPXUZAEABE-CYBMUJFWSA-N 305.175 2.903 0 40 DFAB CCn1nc(C)c([C@]23C=C(O)C(=O)N2c2ccccc2N3)c1C 36612436 AVBMFFOIOLDHQQ-KRWDZBQOSA-N 310.357 2.587 0 40 DFAB COc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1 31314017 XUFUHFYFRWIIMP-UHFFFAOYSA-N 311.385 2.620 0 40 DFAB CCOC(=O)Nc1ccc([C@H]2SCCN2C(=O)NC)cc1 1589304 RBOQTIXZLLUCGP-GFCCVEGCSA-N 309.391 2.642 0 40 DFAB Cc1cc(O)c([C@@H]2C[C@@H](C)c3c(cc(C)oc3=O)O2)c(=O)o1 104266834 HYZREXXZIIBUGU-HQJQHLMTSA-N 304.298 2.543 0 40 DFAB CC(C)(C)NC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NC(C)(C)C 104185399 CTJANHPKWFNZAR-XDQVBPFNSA-N 306.450 2.644 0 40 DFAB Cc1cc(CN2CCN(CCO[C@H]3CCCC[C@H]3C)CC2)no1 46037678 NCFINQQTAWJZEP-QAPCUYQASA-N 321.465 2.696 0 40 DFAB Cc1nccn1-c1cc(CNC(=O)N2CCC(C)CC2)ccn1 46101367 MDIOIHJYLBBZAI-UHFFFAOYSA-N 313.405 2.517 0 40 DFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccncc2)C(C)C)c1 32725793 GQWPGFXROAYOTO-INIZCTEOSA-N 311.385 2.783 0 40 DFAB CCCn1c(O)nnc1S[C@H](C)c1nc(-c2ccco2)no1 29739028 KCRVPMFEKNROQJ-MRVPVSSYSA-N 321.362 2.890 0 40 DFAB COc1cc(CNCCNc2ccccc2)cc(OC)c1OC 75108032 KNQVDUVVUXVFEP-UHFFFAOYSA-N 316.401 2.914 0 40 DFAB CC(C)(C)c1n[nH]c(SCc2cnn(-c3ccccc3)n2)n1 32925527 WAUSBCIXUDHSKX-UHFFFAOYSA-N 314.418 2.975 0 40 DFAB CCCCNC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)C(C)C 2630151 TXGJZQDSRUYZQF-INIZCTEOSA-N 320.433 2.756 0 40 DFAB O=S(=O)(Nc1cccnc1)c1ccc(Br)s1 525779 QRYRQYOISMPJOI-UHFFFAOYSA-N 319.205 2.706 0 40 DFAB COc1ccc(N2CCCN=C2NC(=O)c2ccccc2)cc1 28527048 FHEGFBKIBASXQN-UHFFFAOYSA-N 309.369 2.691 0 40 DFAB CC(C)OCCCNC(=O)/C=C/c1cnn(-c2ccccc2)c1 23199743 QRSLXHQRFGMTNZ-MDZDMXLPSA-N 313.401 2.817 0 40 DFAB CCCN1CCC(NCc2cccc3c2OCCCO3)CC1 60856890 GPIDOCBEGZIMKM-UHFFFAOYSA-N 304.434 2.812 0 40 DFAB Cc1ccccc1-c1nnc2sc(NC(=O)C(C)C)nn12 20486498 CBCLHDUGFGNXGR-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB COC(=O)C[C@H](NC(=O)/C=C/c1ccco1)c1cccs1 24753578 GKAHVTYDYURXHF-SYTKJHMZSA-N 305.355 2.775 0 40 DFAB O=C(c1cccc(Cl)c1Cl)N1CCC2(CC1)OCCO2 24994783 XJXCSFDHFQUZLV-UHFFFAOYSA-N 316.184 2.973 0 40 DFAB CCN1CCN(c2ccccc2NC(=O)NC2CCCC2)CC1 43575015 BUPIMHBRRFNLRK-UHFFFAOYSA-N 316.449 2.893 0 40 DFAB CCCNC(=O)c1cccc(NCC(=O)N2CCCC[C@@H]2C)c1 55852655 ZHMJFFQVHZWHIT-AWEZNQCLSA-N 317.433 2.639 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 57159517 GOBLQLFGDGTPRX-CYBMUJFWSA-N 300.324 2.920 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 108461538 JPKZCPGKCRWEDK-CQSZACIVSA-N 301.390 2.984 0 40 DFAB O=S1(=O)CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 47911205 RNOIVSHQMYLOGG-UHFFFAOYSA-N 312.778 2.531 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 27337563 UEADEPVBIDPPMM-ZIAGYGMSSA-N 312.413 2.802 0 40 DFAB COc1ccc(NC(=O)COC(=O)CC(C)(C)C)cc1OC 3264670 ARHSQMWNXXEOSZ-UHFFFAOYSA-N 309.362 2.622 0 40 DFAB Cc1ccc(-c2nc(CSc3nc4ncccn4n3)no2)cc1 58155248 LFOKLRKASZMVEA-UHFFFAOYSA-N 324.369 2.775 0 40 DFAB Cc1ccc(CN(C)[C@H](C)C(=O)NCc2ccc(F)cc2)o1 10141991 STOSMRYVJIKMNS-CYBMUJFWSA-N 304.365 2.864 0 40 DFAB COc1ccccc1[C@H](CNC(=O)NC1CC1)N1CCCCC1 36075789 VCFXEFAXQLKNCM-INIZCTEOSA-N 317.433 2.684 0 40 DFAB COc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)c(OC)c1 44868956 AIEGQYKQZFSBMC-UHFFFAOYSA-N 323.352 2.655 0 40 DFAB O=C(COC(=O)c1c(F)cccc1F)NCC1CCCCC1 3397128 JVGZEIUQIGBPOX-UHFFFAOYSA-N 311.328 2.818 0 40 DFAB C[C@H](Cc1ccsc1)NC(=O)c1ccnc(-n2ccnc2)c1 58330444 OEYVIFJDUNFJMF-GFCCVEGCSA-N 312.398 2.690 0 40 DFAB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)no1 58423380 OROIJSPCSSIHNR-UHFFFAOYSA-N 313.357 2.780 0 40 DFAB Cc1cc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1F 10612984 VKJQUNGRIWAMML-CQSZACIVSA-N 312.344 2.876 0 40 DFAB CC(=O)Nc1ccc(NC(=O)COc2cc(C)on2)cc1Cl 12737157 BKCVXIJLVXPUHG-UHFFFAOYSA-N 323.736 2.612 0 40 DFAB CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 12805514 FNYWPQKZKTUVTB-NSHDSACASA-N 324.229 2.793 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)nc2)cn1 70003772 UMVMDXLXUQTYEO-LBPRGKRZSA-N 324.306 2.811 0 40 DFAB CCCCC[C@@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 3528519 OCHAXGJVNBUFBU-GFCCVEGCSA-N 301.390 2.632 0 40 DFAB CCNc1nnc(SCC(=O)NC2CCCCCC2)s1 8316256 LMPHFWGDLTVLMJ-UHFFFAOYSA-N 314.480 2.901 0 40 DFAB O=C(CCCSc1n[nH]c(=O)n1C1CC1)c1ccccc1 14122371 DKBKVFSSYIQUBB-UHFFFAOYSA-N 303.387 2.662 0 40 DFAB CC(=O)c1cnn(-c2cc(N3CCC(C)CC3)nc(C)n2)c1C 5428465 BWKDTYLDQPTLCB-UHFFFAOYSA-N 313.405 2.718 0 40 DFAB Cc1ccc(NC(=O)[C@H](Cc2cccc(C)c2)c2nn[nH]n2)cc1 6556773 BFQVWLWTMGEZLI-MRXNPFEDSA-N 321.384 2.782 0 40 DFAB O=C([C@H]1CCc2ccccc21)N1CCCC[C@H]1Cn1cccn1 69742829 ORYVMKNAHZHRHR-WMZOPIPTSA-N 309.413 2.994 0 40 DFAB O=C(COC(=O)C1CCC1)NCc1ccc(Cl)cc1Cl 5507372 QOQXACWQVLQORJ-UHFFFAOYSA-N 316.184 2.953 0 40 DFAB O=C(NCCc1ccccc1)C(=O)Nc1cccc2ncccc12 6759867 GGBNUXMTKBCIAK-UHFFFAOYSA-N 319.364 2.532 0 40 DFAB O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cc[nH]n2)C1 92073495 HREORVDEVBDSCF-KGLIPLIRSA-N 311.307 2.736 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cccn1 69923436 SVJGAOZAEHGOSC-TZMCWYRMSA-N 301.394 2.759 0 40 DFAB CCCN(C(=O)COc1ccc(C(N)=O)cc1)C1=CCCCC1 8705736 XIOIZBJORDPHPP-UHFFFAOYSA-N 316.401 2.861 0 40 DFAB Cc1nn(CCC(=O)n2nnc3ccccc32)c(C)c1Cl 8714509 USEOKXQEMGYXRT-UHFFFAOYSA-N 303.753 2.629 0 40 DFAB Cc1nnc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)s1 80584949 ICQCVKFLBBJANA-CYBMUJFWSA-N 320.393 2.589 0 40 DFAB Cc1cncn1CCCNC(=O)CCC(=O)c1ccc(F)cc1 89702456 WQXLOGIJAJLNKL-UHFFFAOYSA-N 317.364 2.500 0 40 DFAB CC(C)N1CC[C@H](N[C@H](C)Cc2nc3ccccc3s2)C1=O 89729151 KHQYXXHSYKUOJC-OCCSQVGLSA-N 317.458 2.826 0 40 DFAB CS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccc(F)cc2)C1 110646129 SJAXVOMRXDPIOT-LSDHHAIUSA-N 310.438 2.658 0 40 DFAB Cc1c(C(C)C)c2ccccc2n1CC(=O)N1CCN(C)CC1 19849717 DQCJMKOURARORJ-UHFFFAOYSA-N 313.445 2.847 0 40 DFAB Cc1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1C 84180733 IYUHNRBDVCJKII-NVXWUHKLSA-N 305.418 2.740 0 40 DFAB CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 72294299 FYIWYIAFUZLGOB-JSGCOSHPSA-N 316.401 2.645 0 40 DFAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 72291885 KQZLMHNBHLIKSY-GFCCVEGCSA-N 316.336 2.676 0 40 DFAB O=C(CCN1CCC[C@H](c2ccn[nH]2)C1)N1CCc2ccccc21 72270774 GTDBFINJFYHYCY-INIZCTEOSA-N 324.428 2.569 0 40 DFAB Clc1cc(Br)ccc1OCCn1cncn1 72296504 KSBCCRLOACWOFB-UHFFFAOYSA-N 302.559 2.773 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1CC[C@H](C(=O)O)C1 97039310 HTDRUJGQDVFAKO-WDEREUQCSA-N 315.291 2.617 0 40 DFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1 97032556 DFFRKBRZRREKOP-LLVKDONJSA-N 310.444 2.589 0 40 DFAB Cn1c(CN2CC[C@H](CNc3ccccn3)C2)nc2ccccc21 97200749 IZACWMFQPCWIHA-OAHLLOKOSA-N 321.428 2.902 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3ccc(F)cc32)C1 95423869 FVGVVEBIBAPGTD-HIFRSBDPSA-N 306.381 2.640 0 40 DFAB CC(=O)N[C@H]1CCCN(C(=O)CS[C@@H](C)c2ccccc2)C1 95418024 GEPIBPIRIJTICV-BBRMVZONSA-N 320.458 2.608 0 40 DFAB C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)O 95425446 HHLOHCVVJDEHLZ-SNVBAGLBSA-N 306.387 2.598 0 40 DFAB O=C(CNC(=O)c1ccncc1F)Nc1cccc2ccccc12 78101778 HUZWXPRPQGFWET-UHFFFAOYSA-N 323.327 2.742 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c1C 78459158 ZAQOUSPRKYJEBO-CYBMUJFWSA-N 324.490 2.681 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCC[C@H]1N 85366505 BRACCFOEWXXKKB-DGCLKSJQSA-N 311.223 2.535 0 40 DFAB COc1ccc([C@H](O)CNc2ncccc2Cl)cc1OC 88724598 ODBYKIZNIMSTTP-GFCCVEGCSA-N 308.765 2.898 0 40 DFAB O=C(c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 36171593 WFMKVKBFTOXJGT-UHFFFAOYSA-N 314.429 2.941 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@H](NCCO)c1ccccc1 408734432 RBYNQVNXCFYBOS-OAHLLOKOSA-N 304.777 2.602 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 36635731 AZLWGDTUSOYDSA-CQSZACIVSA-N 314.316 2.578 0 40 DFAB C[C@H](CSc1nnc(C2CCOCC2)n1N)c1ccccc1 79037821 TXCKKSULAPNTKE-GFCCVEGCSA-N 318.446 2.782 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCC2CCCC2)[C@@H]1c1cccs1 72238112 PQPYFPMAOSLMIT-XJKSGUPXSA-N 320.458 2.964 0 40 DFAB COC(=O)c1cc2c(=O)n(Cc3ccccc3)ccc2nc1C 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O=C(/C=C/c1ccco1)NCC1CCN([C@H]2CCSC2)CC1 225567183 IOYWHTAKFBVXEL-BWPKMQGJSA-N 320.458 2.627 0 40 DFAB Cc1ccoc1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 191449509 RQSRKFRFAVAIKN-UHFFFAOYSA-N 313.762 2.897 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccncc3)cc2)n1 148122346 WGUKZPHVZRMPMR-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB C[C@H](Cc1ccc(NC(=O)[C@H](C)C2CCOCC2)cc1)C(=O)O 192917907 WUTRTIGYEIILCG-CHWSQXEVSA-N 319.401 2.951 0 40 DFAB Cn1cc(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 97237656 CLZWEIQVOQOMST-UHFFFAOYSA-N 318.808 2.790 0 40 DFAB CCc1c(C(F)(F)F)noc1NC(=O)[C@H](C)c1cnn(C)c1 576380331 NOPCPKFQAGFBJJ-SSDOTTSWSA-N 316.283 2.732 0 40 DFAB CCOCc1cnc2n1CCN(Cc1nc(C)cs1)[C@@H]2C 96109686 MCZWBPDBIMQLEC-GFCCVEGCSA-N 306.435 2.761 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)NC1(CO)CCCC1 333077773 LKYZVWDJWVDKRL-UONOGXRCSA-N 308.809 2.800 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ncn(C)c21 96060212 CCNNJGZQQRSZMJ-AWEZNQCLSA-N 303.381 2.695 0 40 DFAB CCOC(=O)N1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 148146534 GCLLERNKIDLILE-UHFFFAOYSA-N 316.357 2.656 0 40 DFAB CO[C@H]1CCCCC[C@H]1NC(=O)N(CC(C)(C)O)C(C)C 96483814 UQUUEGJZXMMBOR-KGLIPLIRSA-N 300.443 2.525 0 40 DFAB Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)c1 96055137 VVSTWMQQFNBYAU-AEFFLSMTSA-N 316.376 2.756 0 40 DFAB Cn1cnnc1CN1CCC[C@H](Oc2ccccc2Cl)C1 95434290 YNWCMOTYFKXMHS-LBPRGKRZSA-N 306.797 2.512 0 40 DFAB CCc1cc(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)on1 96421465 NJSGYWJCSMBMIY-WFASDCNBSA-N 309.410 2.632 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccn1 245316693 KEEWIKIKQXTMJF-ARLBYUKCSA-N 317.433 2.891 0 40 DFAB c1cncc(OC[C@@H]2CN(Cc3ccoc3)Cc3ccnn32)c1 247963194 PEJLDMWTNCFPTA-INIZCTEOSA-N 310.357 2.507 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H]1CSc2ccccc21 247850615 GYHDPEZHTALALZ-ZMSDIMECSA-N 311.406 2.650 0 40 DFAB O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 252483895 FKUPNXDBIXVDIH-IHDVRYTKSA-N 321.804 2.806 0 40 DFAB Cc1c[nH]c([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 257299363 RPSYLXPYFRNRCK-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB O=C(O)c1ccccc1-c1ccc(Cn2ccccc2=O)cn1 257265634 LZPZVPUGSKOPFO-UHFFFAOYSA-N 306.321 2.657 0 40 DFAB Cc1nc(CC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cs1 257316823 VHDMCKMSTRGKSK-MRXNPFEDSA-N 315.442 2.509 0 40 DFAB Cc1cccnc1C(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257205619 AZWSLJRLBIHKJP-HYVNUMGLSA-N 323.396 2.715 0 40 DFAB CCc1occc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O 262979732 PGYXQOVILMHOGV-LBPRGKRZSA-N 301.342 2.958 0 40 DFAB O=C(/C=C/c1ccco1)N1CC(c2nc(-c3ccco3)no2)C1 90567344 CJAMMZHDDAYKFE-AATRIKPKSA-N 311.297 2.562 0 40 DFAB O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CSCCS1 298833483 AVIGCPOEEHYORZ-JTQLQIEISA-N 323.468 2.992 0 40 DFAB O=C1C[C@]2(CCN(C(=O)c3ccsc3)C2)Oc2ccccc21 96025566 QWXIZSMRHYKFQZ-KRWDZBQOSA-N 313.378 2.998 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1c(F)cccc1F 390825975 VMSLVJCCZRFAQV-LBPRGKRZSA-N 321.327 2.983 0 40 DFAB CCO[C@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2 575403017 HPDOVXUNLNBJPV-CYBMUJFWSA-N 316.426 2.905 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@@H](C)c1c(C)n[nH]c1C 585141939 JCLWFBDMFRTJST-LBPRGKRZSA-N 307.419 2.628 0 40 DFAB CC[C@@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)COC)[C@H]2C1 585109811 WRCCBZVOLCHFTO-JYYRGQEPSA-N 316.445 2.565 0 40 DFAB COC(=O)c1ccccc1SCc1ccc(C(N)=O)cc1 43928314 BBCFFBVFINKNGW-UHFFFAOYSA-N 301.367 2.864 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccccc3Cl)no2)[C@H](C)CO1 45839189 FJVJGIUZGGJXFV-MNOVXSKESA-N 307.781 2.999 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(F)cc2F)c1 14253038 BTTFGBIMTVLVLH-UHFFFAOYSA-N 319.310 2.525 0 40 DFAB O=C([C@H]1CCCN1C(=O)OCC(F)(F)F)N1CCCCCC1 57974826 HRHVXOOPDKPHGU-LLVKDONJSA-N 322.327 2.552 0 40 DFAB Cc1sc(NC(=O)c2cc(Cl)ccn2)c(C(N)=O)c1C 71795840 VFFPLSHHPDEHIV-UHFFFAOYSA-N 309.778 2.765 0 40 DFAB COCCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 85467908 HNQWCFILNYODEB-UHFFFAOYSA-N 318.461 2.825 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1CCCC2 675630269 ONTHNCGKNWXSJR-UHFFFAOYSA-N 311.385 2.763 0 40 DFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccc1)[C@H]2C(=O)O 5101212 GGGLJXMPHPRWIQ-ABFRBSLYSA-N 313.397 2.996 0 40 DFAB CC(C)C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 19086178 AKNXGMQAMJKQJY-UHFFFAOYSA-N 300.446 2.955 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)C(C)C 19295907 QVGLJKQHJSZNQE-MEDUHNTESA-N 302.374 2.771 0 40 DFAB Cc1cncc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 156143846 WKVFKUSSVZFFOK-OAHLLOKOSA-N 302.422 2.730 0 40 DFAB Cc1cc(NC(=O)CNc2ccccc2Br)no1 11621261 CVZHEKAFIYVHBV-UHFFFAOYSA-N 310.151 2.796 0 40 DFAB COc1ccccc1N1CCN(c2ncnc3cc(C)[nH]c23)CC1 1888881921 PWEMVOHVYIDBHV-UHFFFAOYSA-N 323.400 2.602 0 40 DFAB Cc1cnn(CC2CN(c3ncnc4sc(C)c(C)c34)C2)c1 1889136137 UMNZIRCYNHMJEG-UHFFFAOYSA-N 313.430 2.949 0 40 DFAB COCCSc1nnc(Nc2cccc(NC(C)=O)c2)s1 28968802 PTJMHVODJFJZGC-UHFFFAOYSA-N 324.431 2.979 0 40 DFAB Clc1cccc(-c2nnn(Cc3nnsc3Cl)n2)c1 40466185 FPDDRTRPFLLIEN-UHFFFAOYSA-N 313.173 2.547 0 40 DFAB CC(=O)c1sc(NC(=O)Cc2ccc3c(c2)OCO3)nc1C 9521328 VXCXQFUHAXLJBF-UHFFFAOYSA-N 318.354 2.564 0 40 DFAB Fc1cnc(OC2CCN(c3nc4ccccc4o3)CC2)nc1 1775973923 QJVAYNCCGDIXMY-UHFFFAOYSA-N 314.320 2.805 0 40 DFAB Cc1cccc(CC(=O)NC[C@]2(O)CCc3ccccc3C2)c1 85559799 ZNJWHXHZFCMZDU-FQEVSTJZSA-N 309.409 2.574 0 40 DFAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(C)C)C[C@H]2C[C@@H]1O 2332242876 XCIWYXZLRTXPMC-QXGSTGNESA-N 313.445 2.997 0 40 DFAB CNc1snc(C)c1C(=O)Nc1ccc2c(c1)OCCCO2 30854993 BHIHKVXAUSAGNI-UHFFFAOYSA-N 319.386 2.907 0 40 DFAB CCOC(=O)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 44656 IUTUDKMGBFWYHK-HOTGVXAUSA-N 323.348 2.523 0 40 DFAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1 3422412 XCYNSLXJEILKDX-VAWYXSNFSA-N 311.337 2.890 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 4386129 HCPVRENOBXLPIP-WDMOLILDSA-N 301.415 2.960 0 40 DFAB Cc1ccc2nc(SCc3cccc(F)c3)nc(=O)n2c1 4503676 BFISLNGACREISG-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)o1 29079905 RXMBUEFDXUNAJG-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB Cc1ccc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)cc1 20662031 WCGYJXOGJRFTJW-AWEZNQCLSA-N 309.373 2.715 0 40 DFAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cn2)c1 101594477 IYXDDDADSZHVFR-CALCHBBNSA-N 323.396 2.919 0 40 DFAB O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccccn2)cc1 354232 MGPUCIDTPHNZJM-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1 19902264 MSQZTAPLSYFUGH-UHFFFAOYSA-N 320.408 2.591 0 40 DFAB CSc1nnc2c(n1)OC(C)(C)N(C(C)=O)c1ccccc1-2 54363778 XRPFEVRMWNBFMV-UHFFFAOYSA-N 316.386 2.742 0 40 DFAB CC(C)(C)c1nc(CN(CCC2CCCCC2)CC(N)=O)no1 58231532 QONKPMMDQLTJOY-UHFFFAOYSA-N 322.453 2.625 0 40 DFAB COC(=O)c1ccoc1COC(=O)c1cccnc1SC 32894869 LUPCMKSVLAJIRI-UHFFFAOYSA-N 307.327 2.540 0 40 DFAB CC(C)CCN(CCC(C)C)Cc1nc(O)c2cnn(C)c2n1 52827466 LMLYDSINATULST-UHFFFAOYSA-N 319.453 2.963 0 40 DFAB Cn1ncc2c(O)nc(CN3CCC[C@H]3C3CCCCC3)nc21 52830693 ZYRUAIWKGCVZBF-AWEZNQCLSA-N 315.421 2.614 0 40 DFAB CCOC(=O)C1=C(NC#N)OC(C)=C(C)[C@H]1c1ccc(O)cc1 535279 UUPXNJLFTSBKPN-AWEZNQCLSA-N 314.341 2.645 0 40 DFAB CC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 514221 KQMQRGUKSPEQNU-UHFFFAOYSA-N 303.317 2.953 0 40 DFAB Cc1cccc(OCCCN2C(=O)N[C@@H](CC(C)C)C2=O)c1 15583845 YUHURSMNBAGBLZ-HNNXBMFYSA-N 304.390 2.730 0 40 DFAB C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 53516915 VCAMIGXLFFRWNH-VXGBXAGGSA-N 324.384 2.534 0 40 DFAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CCSC1=O 830009 GNSSMYZHYCQVSU-SECBINFHSA-N 320.197 2.521 0 40 DFAB COc1ccccc1CNC(=O)c1cn2cc(Cl)ccc2n1 12323893 OQVVQTDUTIZWNY-UHFFFAOYSA-N 315.760 2.926 0 40 DFAB CO[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1 119367459 IQRCJIMBZBSODN-IXDOHACOSA-N 318.417 2.631 0 40 DFAB CCCC(=O)Nc1cc2c(cc1Br)OCCO2 23624866 COVKKRAGTGMMGL-UHFFFAOYSA-N 300.152 2.959 0 40 DFAB Cc1cc(F)ccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23683433 QBPPHCQOBADLIY-SWLSCSKDSA-N 308.378 2.527 0 40 DFAB CCOC(=O)c1nnsc1NCCc1c[nH]c2ccccc12 1417144 NJARIHMAOGSWFA-UHFFFAOYSA-N 316.386 2.851 0 40 DFAB O=c1cc(CN2CCC[C@@H]2Cc2ccccc2)nc2ccccn12 25441425 AYNNHHMSEXSDDP-GOSISDBHSA-N 319.408 2.902 0 40 DFAB COc1cc(NC(=O)Nc2cc(C)on2)cc(OC)c1OC 3165955 WYWFIQQSJMGQEE-UHFFFAOYSA-N 307.306 2.653 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105816 ISJPPVPFBFUXAM-HLLBOEOZSA-N 316.401 2.737 0 40 DFAB O=c1[nH]ncc(NC[C@@H](c2ccco2)N2CCCCC2)c1Cl 44874377 AGKZYFFCYAOFPV-LBPRGKRZSA-N 322.796 2.655 0 40 DFAB CCOC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1 2117860 ZFYAKXWCGHMKCP-UHFFFAOYSA-N 320.366 2.772 0 40 DFAB Cc1noc([C@H](C)NC(=O)CCSc2ccccc2F)n1 58244521 HJHZNQXSCMGZKQ-VIFPVBQESA-N 309.366 2.877 0 40 DFAB O=C(Nc1nc[nH]n1)c1ccc(N2CCc3ccccc3C2)cc1 58264663 AJJWSSHUWOTMRE-UHFFFAOYSA-N 319.368 2.620 0 40 DFAB CCCCNC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 12758471 HQCFGNWVVSOGJJ-UHFFFAOYSA-N 312.797 2.753 0 40 DFAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc2c(c1)CCC(=O)N2 44976450 KWEJLEABOKBKDV-QMMMGPOBSA-N 317.780 2.770 0 40 DFAB CCC(CC)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 58393741 VIZXWVWBZPMHRO-UHFFFAOYSA-N 319.405 2.531 0 40 DFAB CC[C@H](C)[C@H](C)NC(=O)c1nn(CC)c(=O)c2ccccc12 48355648 HTIMGZBAIKDFOA-RYUDHWBXSA-N 301.390 2.581 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1cccnc1)c1cccs1 48310024 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302.378 2.802 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCN1C(=O)c2ccccc2C1=O 5832650 JWYKJTODDJOYSZ-XQQFMLRXSA-N 313.353 2.610 0 40 DFAB O=C1c2ccccc2[C@]2(c3ccccc3)N1CCN2C(=O)C1CC1 5684787 ZVPXTYAXKBWGLL-FQEVSTJZSA-N 318.376 2.596 0 40 DFAB O=c1oc(-c2cccc3ncccc23)nn1CCN1CCCCC1 12117138 HSGDFWSXYPLOLH-UHFFFAOYSA-N 324.384 2.537 0 40 DFAB COc1cccc(C(=O)NCc2nc(-c3ccccc3C)no2)c1 13495396 OXJZFWXHIFURKA-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB Cc1cc2nc(COC(=O)c3ccc(Cl)cc3)cc(=O)n2o1 15734195 QHPBWGCMKYMQCG-UHFFFAOYSA-N 318.716 2.606 0 40 DFAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(F)c(F)c1 17048300 SHLSEMHJCADJPO-SECBINFHSA-N 310.325 2.718 0 40 DFAB CC(C)(C)OC(=O)N1CCC(O)(C(=O)c2ccccc2F)CC1 205466614 FPNHOSMPCJQVJT-UHFFFAOYSA-N 323.364 2.770 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1c(F)cccc1F)c1ccccc1 3248175 KNCVRXQMGPUOTD-LLVKDONJSA-N 319.307 2.999 0 40 DFAB Cc1cc2c(N3CCC(c4nnc(C5CC5)o4)CC3)nccn2n1 1888897010 BUXYXZXXTNLPON-UHFFFAOYSA-N 324.388 2.682 0 40 DFAB 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32517956 FNNNPWIYABPSAJ-UHFFFAOYSA-N 312.417 2.912 0 40 DFAB Cc1ccc(C)c(N(C(=O)C2=NN(C)C(=O)CC2)C(C)C)c1 60368656 WQCGIZXBKWSZCJ-UHFFFAOYSA-N 301.390 2.653 0 40 DFAB CNC(=O)CN(C)c1ncnc2sc(-c3ccccc3)cc12 7467555 UTJMQTCNWVRCCD-UHFFFAOYSA-N 312.398 2.541 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1CCCc3ccccc31)C2 69703056 CSOUJBVDNVZNNE-INIZCTEOSA-N 324.428 2.864 0 40 DFAB Cc1nc2c(cc1C(=O)N[C@H]1CCC[C@H](C)C1)c(C)nn2C 32809374 JCIDDFCYQQLFSG-GWCFXTLKSA-N 300.406 2.894 0 40 DFAB COc1ccccc1-n1nc(CSc2ncccn2)cc1O 9939768 PEGGXSYEVXLLLT-UHFFFAOYSA-N 314.370 2.669 0 40 DFAB CCCc1nnc(S)n1CC(=O)N(C)C1CCC(C)CC1 52842896 MYEYNSRFENWORB-UHFFFAOYSA-N 310.467 2.556 0 40 DFAB Cc1nn(C)c(=O)c(C(=O)Nc2ccc3sccc3c2)c1C 69774531 HDCZICAVTYTZHC-UHFFFAOYSA-N 313.382 2.864 0 40 DFAB Cc1nc(CN2CCC[C@H]2c2nnc3n2CCCCC3)oc1C 75143530 VARKJXWCGFTLDP-AWEZNQCLSA-N 315.421 2.946 0 40 DFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3)c2[C@H]1c1ccco1 12323904 UIFBZXQNWVWKMO-QGZVFWFLSA-N 323.352 2.861 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108981034 WRQTWCDGJCBJIG-GRDNDAEWSA-N 300.402 2.898 0 40 DFAB COC(=O)C(C)(C)NC(=O)CCc1ccc(-c2ccccc2)o1 23152296 CJOQZQXSYKUKCQ-UHFFFAOYSA-N 315.369 2.947 0 40 DFAB COc1ccc(CCC(=O)NCc2ccc(C)nc2)cc1OC 47557253 NMGZJVZVIQARJI-UHFFFAOYSA-N 314.385 2.656 0 40 DFAB Ic1ccccc1OC[C@@H]1CCCNC1 42782910 FWNKIFYECTXCAR-SNVBAGLBSA-N 317.170 2.670 0 40 DFAB O=C(CCCc1cccs1)Nc1cccc(-n2cnnn2)c1 24016329 QRDBFWNSDGUGHB-UHFFFAOYSA-N 313.386 2.685 0 40 DFAB O=C(NCc1ccoc1)NC[C@@H](c1cccs1)N1CCCC1 43231328 GZEPIQSFVGWNGV-AWEZNQCLSA-N 319.430 2.977 0 40 DFAB O=C(Cc1cccc(I)c1)C(F)(F)F 43212843 NQYKYSVHYFFSJC-UHFFFAOYSA-N 314.044 2.965 0 40 DFAB O=C(NCc1cn2ccccc2n1)N1CCC[C@@H]1c1ccncc1 43476536 UGPKBGXQNVSBKW-MRXNPFEDSA-N 321.384 2.776 0 40 DFAB COc1ccc(N2C(=O)c3cc(C)nc(SC)c3C2=O)cc1 1405582 MFMKXVYWQDRRGD-UHFFFAOYSA-N 314.366 2.921 0 40 DFAB CN(CCOc1ccccc1)C(=O)c1ccc(-c2ncon2)cc1 107089162 KNFXCHVBXQILPS-UHFFFAOYSA-N 323.352 2.888 0 40 DFAB O=C(COC(=O)c1ccnc(Cl)c1)Nc1ccc(F)cc1 27442712 QULDPOLEQYYIMV-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB CCC(C)(C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 3321038 CGUVEGCZCSQGOL-UHFFFAOYSA-N 303.358 2.785 0 40 DFAB O=c1cc(-c2cc3ccc(O)cc3oc2=O)c2ccc(O)cc2o1 2159383 GMLZQCDQMOUUIC-UHFFFAOYSA-N 322.272 2.978 0 40 DFAB biogenic COc1ccc(C2=CCN(C(=O)Nc3nncs3)CC2)cc1 44944890 XTIWBSBNGCFYJF-UHFFFAOYSA-N 316.386 2.868 0 40 DFAB Cc1nccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)n1 58341332 NRNDVKPSPWLOBN-UHFFFAOYSA-N 306.297 2.925 0 40 DFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc[n+]1[O-] 45054645 GVAQRJWIIGJJSH-NSHDSACASA-N 313.382 2.763 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@@H](c1ccccc1)n1cccn1 58403243 ARHGUZFMPABWPO-QGZVFWFLSA-N 306.369 2.526 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@@H](C)C2)c1 48258396 UDQKGDOFIRMHTB-LBPRGKRZSA-N 305.378 2.596 0 40 DFAB O=C(O)[C@@](O)(c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F 3619067 LCPXMAUXGJHWPZ-QMMMGPOBSA-N 305.035 2.534 0 40 DFAB C[C@@H](NC(C)(C)CNC(=O)C[C@H]1CCCO1)c1ccccc1 68387210 XPEXWUOZYSFADB-GDBMZVCRSA-N 304.434 2.801 0 40 DFAB COc1cc2[nH]c(=S)n(Cc3ccco3)c(=N)c2cc1OC 3855994 PTTLMEOSOAKHEW-UHFFFAOYSA-N 317.370 2.837 0 40 DFAB N[C@@H](CC(=O)O)c1ccn(-c2ccc(Br)cc2)c1 4050264 GYUPTAKARIBZKX-LBPRGKRZSA-N 309.163 2.714 0 40 DFAB COc1ccccc1CC1CCN([C@@H]2C[C@H](C)OC2=O)CC1 69515462 DNWAYUMTBFRWHM-XJKSGUPXSA-N 303.402 2.654 0 40 DFAB COc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccco1 4384053 LQSOAXYRWGXMGD-UHFFFAOYSA-N 300.314 2.889 0 40 DFAB COc1cc(Cl)cc(OC)c1NC(=O)Nc1cnsn1 13856264 MEVFCOCJXUKFNU-UHFFFAOYSA-N 314.754 2.853 0 40 DFAB CCN(C[C@H]1CCCO1)c1ncnc2c1cnn2-c1ccccc1 65412437 XNHOHOXAULBTPX-OAHLLOKOSA-N 323.400 2.821 0 40 DFAB CCCCOCCCNC(=O)CCC(=O)NC1CCCCC1 4616466 FRWZYHFJCFNKNT-UHFFFAOYSA-N 312.454 2.539 0 40 DFAB COC(=O)c1cc(C(=O)NC[C@H](C)c2cccc(C)c2)ccn1 81783351 YAENNWYYDATBSH-ZDUSSCGKSA-N 312.369 2.710 0 40 DFAB CCC(C)(C)NC(=O)CSc1nncn1-c1ccccc1 8211295 SYNKHKBPNVLHHS-UHFFFAOYSA-N 304.419 2.664 0 40 DFAB Cc1c(C)n(-c2ccccc2)c2ncn(CCCN(C)C)c(=N)c12 6672771 CTTOXBGNEQZZAY-UHFFFAOYSA-N 323.444 2.875 0 40 DFAB COc1ccccc1CNC(=O)Nc1ccccc1-n1cncn1 69843749 YOXFMWNPNQVBJI-UHFFFAOYSA-N 323.356 2.598 0 40 DFAB O=C(NC1CCCC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731804 WTXDACRUXUTZMY-NSHDSACASA-N 306.793 2.752 0 40 DFAB Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 5627669 AOACNMCFKPQXEI-UHFFFAOYSA-N 323.352 2.755 0 40 DFAB Cc1c(C(=O)NC2CCCCCC2)sc2ncn(C)c(=O)c12 15425914 CGTHZVHDOGCPGV-UHFFFAOYSA-N 319.430 2.756 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@H](C)N(C)C 69463677 XHJSWAAXFUKAHW-NSHDSACASA-N 303.431 2.798 0 40 DFAB O=C(Nc1ccc(Cl)cn1)c1cccc(N2CCNC2=O)c1 69431935 VVRPSGSIFGBNBL-UHFFFAOYSA-N 316.748 2.517 0 40 DFAB O[C@@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccc(F)cc1 69946576 OSLVXXCTNXZEKA-SJORKVTESA-N 303.381 2.610 0 40 DFAB CC[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)c1noc(C)n1 92286410 NLWSLZOQGPFCLD-CQSZACIVSA-N 314.389 2.686 0 40 DFAB CCCN(CC(F)F)C(=O)[C@H](C)NC(=O)Nc1ccccc1 71903873 CKHZHXXGCBBVFC-NSHDSACASA-N 313.348 2.700 0 40 DFAB NC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12 9113426 NUCUJBCXGKLOIK-UHFFFAOYSA-N 307.353 2.838 0 40 DFAB COc1cc(Br)ccc1CN(C)C[C@@H]1CCOC1 96005931 DKUQITCHBVTYEO-NSHDSACASA-N 314.223 2.926 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccccn2)cc1 9365382 PZIJDOZKFWRRHG-RUNBWSAHSA-N 310.353 2.759 0 40 DFAB C[C@@H]1CC[C@@H](C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)O1 89922861 DQSHVKQIBVLGTI-JLSDUUJJSA-N 310.397 2.987 0 40 DFAB Oc1cccc(CNC2CCN(CCc3ccncc3)CC2)c1 96402784 RHQKRRHAQKRARF-UHFFFAOYSA-N 311.429 2.584 0 40 DFAB O=C(CC(C1CC1)C1CC1)N[C@@H]1CCCc2[nH]c(=O)ccc21 71830982 DLRJMLONQBIIFU-MRXNPFEDSA-N 300.402 2.695 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)n1C1CC1 72234762 CQEMHVASGBRFBN-OAHLLOKOSA-N 313.405 2.509 0 40 DFAB O=C(CCNCC(F)(F)F)N1CCCC[C@H]1c1nccs1 72285923 XEGLDYUJFCXQMI-JTQLQIEISA-N 321.368 2.739 0 40 DFAB CN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 97018600 NCDRJWZUQHSYII-WDEREUQCSA-N 315.291 2.742 0 40 DFAB c1cc(CNC2CCN(C[C@@H]3CCOC3)CC2)c2cc[nH]c2c1 76762921 CSUDGNJKODTANJ-HNNXBMFYSA-N 313.445 2.758 0 40 DFAB Cc1ccc(C(=O)NCCC(N)=O)c(Sc2ccccc2)c1 97107340 ZVKPMRUNYOIHOC-UHFFFAOYSA-N 314.410 2.751 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccn(C2CCCC2)n1 97231360 AMYIKHXDAJZPQG-OAHLLOKOSA-N 313.357 2.554 0 40 DFAB Cc1cccnc1CNC(=O)NC[C@H](C)Oc1ccccc1F 78952723 BMPPXZULZJPHLQ-ZDUSSCGKSA-N 317.364 2.796 0 40 DFAB Cc1cc(C)c(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)c(=O)[nH]1 78966565 VLYVPVCVKPHYPP-UHFFFAOYSA-N 302.378 2.556 0 40 DFAB CC(C)(C)[C@H]1CCN(C(=O)Nc2cccnc2Cl)C[C@@H]1O 95996727 XDDKFVMPSJYEOG-JQWIXIFHSA-N 311.813 2.996 0 40 DFAB Cc1nc(CN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)no1 95959683 YTIAZLZVOCOHTI-GFCCVEGCSA-N 320.824 2.910 0 40 DFAB Cc1ccc2c(CCNC(=O)[C@@H]3CCc4cn[nH]c4C3)c[nH]c2c1 79866115 VNDGEFVKIWLOAM-CYBMUJFWSA-N 322.412 2.663 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)CC1 78671126 WMCAQQRKMWOSMJ-HNNXBMFYSA-N 305.422 2.569 0 40 DFAB CCN(C(=O)OCc1ccccc1)C1CCC(NCCO)CC1 79411081 SKKRCJCWMVESNM-UHFFFAOYSA-N 320.433 2.538 0 40 DFAB COCCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 72390065 FAKKMKLNPHWJOJ-NSHDSACASA-N 321.402 2.541 0 40 DFAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 72324768 JGUNZNOVQQBWJF-WCFLWFBJSA-N 315.244 2.633 0 40 DFAB O=C(OCc1noc(-c2ccccc2Cl)n1)C1(O)CCCC1 61248725 VAKLUCJIOHANST-UHFFFAOYSA-N 322.748 2.738 0 40 DFAB CCOc1ccccc1C(=O)N1CCCN(CC2CC2)CC1 72254368 MOGGNODOSPOSFF-UHFFFAOYSA-N 302.418 2.643 0 40 DFAB COCCn1ccc2cc(NC(=O)N3CCO[C@H](C)C3)ccc21 78441557 PTXLXUGVYAWMSE-CYBMUJFWSA-N 317.389 2.540 0 40 DFAB O=C(NCC1CCN(c2cccnc2)CC1)c1cccc(F)c1 225654483 CJEOXIGISLQDGH-UHFFFAOYSA-N 313.376 2.867 0 40 DFAB CNc1nc(N(C)[C@H](C)c2ccccn2)ncc1Br 131970484 NRPXAKORANOWIV-SECBINFHSA-N 322.210 2.873 0 40 DFAB COC(=O)N1CCC(N[C@H](C)c2ccc(OC)c(C)c2)CC1 195558104 CFUAUOJNDYFQSI-CYBMUJFWSA-N 306.406 2.885 0 40 DFAB Brc1ccc(O[C@@H]2CCNC2)c(Br)c1 42776140 VLVCUKPCHYAILC-MRVPVSSYSA-N 321.012 2.952 0 40 DFAB C[C@H]1CN(Cc2nccs2)C[C@H](C)N1Cc1nccs1 191150811 BBIHGFNTLMKCRR-RYUDHWBXSA-N 308.476 2.694 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C 222902150 VTOVHPJAQXRGMG-LBPRGKRZSA-N 308.397 2.868 0 40 DFAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2cnn3C)cc1OC 49548078 MNSZMXVIXCCYTL-SECBINFHSA-N 317.345 2.570 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1C 225884256 CBMMTAXJZGLOSO-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB CC[C@@](Cl)([C@@H](O)c1ccc(OC)cc1)S(=O)(=O)CC 96520789 MXEKWAKJIGCDCR-STQMWFEESA-N 306.811 2.508 0 40 DFAB CCN(c1ccncc1)S(=O)(=O)c1cccc2cnccc12 96474643 AWECSFYOGWRWCB-UHFFFAOYSA-N 313.382 2.845 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)N[C@H]1C[C@@H]1C1CCCCC1 96437572 QKRAJYURFFTVLE-SJORKVTESA-N 305.466 2.881 0 40 DFAB CCc1nc(CS[C@@H]2CCN(c3ccc(C)cc3)C2=O)no1 96433429 NMQUPVROHOZAPD-CYBMUJFWSA-N 317.414 2.979 0 40 DFAB CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](CC(N)=O)C1 97098744 AYDKKHFIRGSRDI-ZDUSSCGKSA-N 317.433 2.931 0 40 DFAB O=C(CCc1ccccc1)N1CC[C@H](NCc2cccc(O)c2)C1 96461934 XGSUUYMWIPYRRH-SFHVURJKSA-N 324.424 2.716 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCOc2ccccc21 96445861 JSNBMUGAIMDUCG-CZUORRHYSA-N 315.344 2.542 0 40 DFAB CC1(CNc2nnc([C@H]3Cc4ccccc4O3)o2)CCOCC1 97102131 NVTLUTTTXYLRMH-CQSZACIVSA-N 315.373 2.974 0 40 DFAB O=C(Nc1cccc2[nH]ccc12)c1cc(F)ccc1-n1cnnn1 95472274 YPFCMKOOFRCERO-UHFFFAOYSA-N 322.303 2.535 0 40 DFAB Cc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)nn1C 96416711 FBZQOTJCNSPALR-UHFFFAOYSA-N 303.793 2.844 0 40 DFAB CN1C(=O)C2(CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 96100251 KJRXPYQESNSOAQ-SFHVURJKSA-N 321.424 2.877 0 40 DFAB CC[C@@H]([C@@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96519534 ITMKHERBOBIMBF-RYUDHWBXSA-N 321.236 2.696 0 40 DFAB COCC[C@H]1CCOC2(C1)CN(C(=O)c1ccc(Cl)cc1)C2 247849612 ODNKQUTZTKLWTE-ZDUSSCGKSA-N 323.820 2.998 0 40 DFAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NC1CCCCC1 253406889 VFAMIESRMMZFDG-NSHDSACASA-N 315.373 2.852 0 40 DFAB biogenic,in-vitro COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1 61977832 HHWSTSSATNWWOB-UHFFFAOYSA-N 311.385 2.580 0 40 DFAB COc1ccccc1[C@H]1CNCCN1C(=O)c1cccc(F)c1 261925739 JATJSUVZPSRZAY-MRXNPFEDSA-N 314.360 2.621 0 40 DFAB C[C@H](Cn1cncn1)Nc1ccccc1OCC(F)(F)F 585142126 PKGLPPMLMKCRLO-SNVBAGLBSA-N 300.284 2.720 0 40 DFAB Cc1cncc(CNc2nc3c(c(C)nn3C)c(Cl)c2C)c1 585142031 MSCNVWFZSHSBTA-UHFFFAOYSA-N 315.808 3.554 0 40 DFAB COC(=O)c1cc(CNC(=O)N[C@H](C)c2ccc(C)o2)oc1C 48062424 BIUZTNGEYXEGTP-SNVBAGLBSA-N 320.345 2.836 0 40 DFAB COc1c(C)cnc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1C 50449004 LNYIVXBITPMCKV-ZDUSSCGKSA-N 317.216 2.907 0 40 DFAB CC(=O)NC1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 66355504 IHMJFEKSOUEAHI-HIFRSBDPSA-N 308.466 2.966 0 40 DFAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc2nc[nH]c(=O)c2c1 87209558 NYKADNCBMPGQSR-LBPRGKRZSA-N 317.389 2.703 0 40 DFAB O=C(NCc1noc(C2CC2)n1)N1CCC=C(c2ccccc2)C1 583337050 PSBZSLOEFMYGJL-UHFFFAOYSA-N 324.384 2.946 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccco2)c1C 6012108 CSIJLJSTCPEPCH-VOTSOKGWSA-N 315.325 2.866 0 40 DFAB Cc1ccc(-c2n[nH]c(CNC(=O)NCc3ccccc3)n2)cc1 5001865 HNWDXZYWXIWNJW-UHFFFAOYSA-N 321.384 2.780 0 40 DFAB CCn1ncc(C2=NO[C@@H](C(=O)Nc3ccc(C)cc3)C2)c1C 5053453 XHAVFXMCXMKENE-MRXNPFEDSA-N 312.373 2.652 0 40 DFAB CN(C)CCN(C)C(=O)Cc1csc(-c2ccccc2F)n1 12238126 BMLQFZUEPMRLKN-UHFFFAOYSA-N 321.421 2.512 0 40 DFAB COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 155291314 JTWRJZOEFHRQAB-UHFFFAOYSA-N 306.362 2.691 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCCC1 12340549 DRLPUPYMGRMQOX-UHFFFAOYSA-N 324.446 2.764 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)c(Cl)c1 30337876 ZREGEPSQWRZDQE-UHFFFAOYSA-N 314.794 2.766 0 40 DFAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(C)=O 208667 SJMXPJVQCGHRGM-RYQLBKOJSA-N 303.402 2.910 0 40 DFAB biogenic CC(=O)Nc1ccc(OC(=O)c2cn3ccc(C)cc3n2)cc1 20004213 LGNQTRLKYOJTJB-UHFFFAOYSA-N 309.325 2.820 0 40 DFAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)c1ccc(Cl)cc1 42658 AKJSULODCDBQFB-CQSZACIVSA-N 318.760 2.551 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1 20219044 UXPBYKCJSWMRLE-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1C(C)=O 47094 CCKPGZKAZFRFHP-BONVTDFDSA-N 300.358 2.565 0 40 DFAB Cc1nc(NC(=O)[C@H](C)n2cccn2)ccc1Br 91507500 IETMPHRXIBBEQH-VIFPVBQESA-N 309.167 2.549 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 184083 JYPYSIBNVGGJSQ-UHFFFAOYSA-N 319.158 2.800 0 40 DFAB CCc1cccc2c(C(=S)N3CCC(C(N)=O)CC3)c[nH]c12 574746 QALJTFDMOOCEFL-UHFFFAOYSA-N 315.442 2.603 0 40 DFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 582500 ZQDANCNNTHTWQL-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB O=C(Nc1cccc(F)c1)N1CCC(O)(c2cccnc2)CC1 1347833 WOAKONALKLQCLF-UHFFFAOYSA-N 315.348 2.736 0 40 DFAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1C 1355905 VVAATYRYHFSJAX-RYUDHWBXSA-N 310.467 2.649 0 40 DFAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCCO)(C4)C2)C3)cc1 2668873 VBSATAOIKOBEGS-BANKROOTSA-N 313.441 2.942 0 40 DFAB Cc1nc(N2CCC(C)CC2)c2nnn(Cc3ccccc3)c2n1 4966670 MOPMAFSIMNFLMA-UHFFFAOYSA-N 322.416 2.814 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1cnn(CC(F)(F)F)c1 75145579 XNLCLWWHCASYFC-UHFFFAOYSA-N 302.256 2.702 0 40 DFAB COc1ccccc1C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 10542896 HWKLCZHBYTXCQX-GJZGRUSLSA-N 304.434 2.793 0 40 DFAB Cc1ccccc1[C@H](CC(=O)NC1CCCCCC1)NC(N)=O 32795575 JCGLEBYDEJPJBP-INIZCTEOSA-N 317.433 2.934 0 40 DFAB CC(C)(O)[C@@H]1CCCN1C(=O)NCCCc1cccc(F)c1 96502860 IUZGEEVBZMQMME-HNNXBMFYSA-N 308.397 2.703 0 40 DFAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1nccs1 51356897 SMSKXBBQJGOQGI-UHFFFAOYSA-N 314.725 2.731 0 40 DFAB CCOc1ncccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 32902688 LGMNNDVQQWMBRX-INIZCTEOSA-N 313.401 2.513 0 40 DFAB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1C)CC(=O)N2 21784176 BXOOJSUGXCCTCA-NSHDSACASA-N 315.398 2.583 0 40 DFAB C[C@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 52757116 HLTXJCAZCCSXAL-JTQLQIEISA-N 300.749 2.874 0 40 DFAB Cc1ccc2oc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2c1 75121486 QZKLNSCJFMYFIU-UHFFFAOYSA-N 310.353 2.976 0 40 DFAB O=C(Nc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 549117 SUHPKKRWPTWCDN-INIZCTEOSA-N 323.352 2.985 0 40 DFAB COc1ccccc1CCC(=O)NC[C@H](c1ccco1)N(C)C 22678753 PBZFBSQUYBTGOO-OAHLLOKOSA-N 316.401 2.640 0 40 DFAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 100200142 MAQVNPIYBUKFBC-XLAORIBOSA-N 317.344 2.796 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2noc3nc(C)ccc23)c1 23128136 ZLMILSDIJAITIF-UHFFFAOYSA-N 313.313 2.801 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)o1 47073098 DLAJLSOUYOHWMB-ZIAGYGMSSA-N 321.421 2.595 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)NCC1(N(C)C)CCCCCC1 42848766 XLJVCIYIJYIYGA-GFCCVEGCSA-N 324.387 2.725 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2ccnc2)nc1 25006772 LQUSXLLMSOKDIE-UHFFFAOYSA-N 317.352 2.930 0 40 DFAB O=C(OCc1nnsc1Cl)c1cc(Br)c[nH]1 25063175 MTRUYNCPAYPOIO-UHFFFAOYSA-N 322.571 2.639 0 40 DFAB CC[C@H](C)NC[C@@H](O)COc1ccc(Br)cc1 26781645 ODEHXRGTXBEZPN-CMPLNLGQSA-N 302.212 2.577 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)N(C)C2CCN(C)CC2)cc1 56057532 UKTPESVGWYLTJR-ZDUSSCGKSA-N 322.474 2.728 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)CCCc2cccs2)C1 35153053 WFMWOYWCBAMSRY-ZDUSSCGKSA-N 309.431 2.873 0 40 DFAB CCCC(=O)NCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 56811644 GTXAJTVRNSTMHP-CYBMUJFWSA-N 306.406 2.634 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2ncc3ccccn23)no1 12532207 BOHXUEKIPAFJAH-SNVBAGLBSA-N 302.359 2.750 0 40 DFAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C(=O)O)C(C)C 178159645 CXTIAXFEJVPMLW-INIZCTEOSA-N 312.369 2.896 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O 28654937 WXYGVKADAIJGHB-ZDUSSCGKSA-N 304.346 2.688 0 40 DFAB O[C@@H](CNCc1cccc2c1OCCCO2)c1ccccc1F 58263956 PEZQDCUGBLWXGP-INIZCTEOSA-N 317.360 2.810 0 40 DFAB COc1ccccc1C(=O)NCc1nc(-c2cccs2)no1 36133234 UQHOIBFIBDTURI-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB CCC(CC)N(C)C(=O)NCc1ccnc(-n2ccnc2C)c1 44969100 GDVUJITZWGMIBF-UHFFFAOYSA-N 315.421 2.906 0 40 DFAB CCN(CC(=O)N(Cc1cnn(C)c1)C(C)C)c1ccccc1 58325391 GFRVJZJSGMYKEK-UHFFFAOYSA-N 314.433 2.684 0 40 DFAB CC(C)OCc1c(I)cnn1C(F)F 408716506 NTPVLKBEPQAYIC-UHFFFAOYSA-N 316.089 2.808 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 58304715 VGYOMTMUCZPPCC-JFIYKMOQSA-N 316.445 2.709 0 40 DFAB O=C1NCCN1c1cccc(NC(=O)N2CCc3ccccc32)c1 47894182 IDMSUFHDJKBUOZ-UHFFFAOYSA-N 322.368 2.811 0 40 DFAB Cc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 28194774 SGAYEYPHYGBDOP-UHFFFAOYSA-N 319.405 2.976 0 40 DFAB CNC(=O)c1cccc(CNC(=O)C(C)(C)c2ccccc2C)c1 58676930 OEDUZQDZSKYCLZ-UHFFFAOYSA-N 324.424 2.949 0 40 DFAB COc1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3267016 XQUWIJNUWFUFNH-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)OCc1cc(C)no1 8251974 MZFGAISBFBYWCI-UHFFFAOYSA-N 313.313 2.534 0 40 DFAB CONC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 12825225 XBJUMTQZZYCMAG-UHFFFAOYSA-N 303.343 2.859 0 40 DFAB O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 27389847 OSJXJFKBBPYROK-OAHLLOKOSA-N 316.401 2.635 0 40 DFAB CCO[C@H](C)C(=O)Nc1ccn(Cc2cccc3cccnc23)n1 69389420 LJVIGNKTRMXXTI-CYBMUJFWSA-N 324.384 2.843 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)c1sccc1Br 70164177 AURHHYANONUMRJ-UHFFFAOYSA-N 318.192 2.638 0 40 DFAB Cc1ccccc1CC(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69442736 OJKKLCQYCQXISR-UHFFFAOYSA-N 324.428 2.939 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2C)nc1 69491347 BAFIOMJJIUUNGE-UHFFFAOYSA-N 311.385 2.765 0 40 DFAB COc1ccc(OC[C@@H](O)Cn2cnc(-c3ccccc3)c2)cc1 27755794 QOCVSEREBWCSKS-INIZCTEOSA-N 324.380 2.999 0 40 DFAB Nc1cc(=O)[nH]c(SCc2cc(Cl)ccc2Cl)n1 4368082 QQMIXAXKDDJEAU-UHFFFAOYSA-N 302.186 2.951 0 40 DFAB Cc1ccc(NC[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)nc1 65467316 BXAZDGKXJBIUPV-ZDUSSCGKSA-N 313.405 2.584 0 40 DFAB Cc1cc(CNc2ccccc2CN2CCC(CO)CC2)no1 71185403 XYDZWXQZTDLWKI-UHFFFAOYSA-N 315.417 2.799 0 40 DFAB O=C(NCc1ccccn1)c1ccc(OC[C@@H]2CCCO2)cc1 8720640 DVNDITMCSJATJT-KRWDZBQOSA-N 312.369 2.569 0 40 DFAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)NC1CCCCCC1 15645346 NQCRRFXPOBNHLC-LBPRGKRZSA-N 305.374 2.777 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 7654301 MRKBKBPIRRGKOI-NSHDSACASA-N 318.760 2.920 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1ccncc1 81529437 DOGLEJDWGBURDJ-AWEZNQCLSA-N 310.401 2.632 0 40 DFAB O=C(OCc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 8193188 XUYKXNFWTVZXCL-UHFFFAOYSA-N 311.293 2.956 0 40 DFAB Cc1[nH]c2ncnc(NC(=O)[C@@H]3OCCc4ccccc43)c2c1C 96008856 OTCIVFCEWMZQPE-OAHLLOKOSA-N 322.368 2.827 0 40 DFAB CCCCc1nc(C)cc(N2CCC(n3cncn3)CC2)n1 96011555 DAQXQNXEUBTKGQ-UHFFFAOYSA-N 300.410 2.561 0 40 DFAB CCc1ccc([C@H](C)N[C@H]2CCCN(c3cccnn3)C2)o1 89732941 GUNHWVFMVBGXRC-KBPBESRZSA-N 300.406 2.952 0 40 DFAB Cc1nc(N2CCNC(=O)C2)c2cc(-c3ccccc3)sc2n1 9503906 DBVJYDMBEQFUKG-UHFFFAOYSA-N 324.409 2.603 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71841799 JJFFIRGCJUETSQ-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB COc1ccc(CCN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc1 71880499 RQYGTPLZNZWSMD-RBUKOAKNSA-N 316.445 2.713 0 40 DFAB CCOCCCC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 71888513 FQZHLNDRKFOYRR-GOSISDBHSA-N 323.408 2.914 0 40 DFAB CCn1ccnc1CN1CCCC[C@@H]1Cn1nc(C)cc1C 71875344 GANUYBVFIFVIFJ-MRXNPFEDSA-N 301.438 2.771 0 40 DFAB O=C(Nc1ccc2[nH]nnc2c1)c1ccc(C(F)(F)F)nc1 89807631 YSSBYARYPHJXQA-UHFFFAOYSA-N 307.235 2.624 0 40 DFAB C[C@](NC(=O)CCCc1ccc(F)c(F)c1)(C(=O)O)C1CC1 97036268 PRBXFCMVTMQZDP-MRXNPFEDSA-N 311.328 2.657 0 40 DFAB CCc1cccc(NC(=O)Nc2ccn(CCN(C)C)n2)c1 97010146 CLWIXKVGAIQWMD-UHFFFAOYSA-N 301.394 2.651 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)OC1CCCCCC1 89942277 QJDZKGPFIHRRAF-MELADBBJSA-N 312.454 2.534 0 40 DFAB CC(C)OC(=O)N1CCC(OC(=O)Cc2cccs2)CC1 95396265 ZKPGOKRUIZJSRG-UHFFFAOYSA-N 311.403 2.843 0 40 DFAB Cc1ccc(CCC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)o1 95430058 ICSHRODSTNMCGM-SJKOYZFVSA-N 305.349 2.898 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3c(C)cccc32)C1 95423891 XKHZBQUZNDSQJO-GDBMZVCRSA-N 302.418 2.809 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H]1C[C@H]1c1ccco1 76089378 BVUSZMLPGNSCET-GHMZBOCLSA-N 320.418 2.577 0 40 DFAB CC[C@@](C)(NC(=O)c1cccc(C(=O)O)c1)c1nccs1 95976723 REENYVUUVFTFRL-OAHLLOKOSA-N 304.371 2.897 0 40 DFAB Cc1nc(-c2cc(C(=O)N[C@@](C)(C(=O)O)C(C)C)co2)cs1 95989679 MYMWSSSBZKSFGW-OAHLLOKOSA-N 322.386 2.941 0 40 DFAB CN(C)c1cccc(CNC(=O)NCc2cc3ccccc3[nH]2)n1 95974444 YWMJZESZYSBEMI-UHFFFAOYSA-N 323.400 2.628 0 40 DFAB Cc1cc([C@@H](C)NC(=O)N(C)C[C@@H](O)C2CC2)cc(C)c1F 89587187 CRGSANNAEOLKJM-IUODEOHRSA-N 308.397 2.916 0 40 DFAB CCc1nnc(SCc2nnc(-c3cccc(OC)c3)o2)o1 20034147 DHMOGAPVTPIZDI-UHFFFAOYSA-N 318.358 2.983 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)c2cccc(C(=O)OC)c2)CC1 78671112 YANMRBKIIAIWKG-MRXNPFEDSA-N 319.401 2.895 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H](c3n[nH]c4ncccc34)C2)n1 72369182 QYVHXTBPRTVJLZ-CYBMUJFWSA-N 308.389 2.749 0 40 DFAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccsc1 32072232 KXCWPUDSAUWMQQ-CQSZACIVSA-N 307.758 2.814 0 40 DFAB Cc1ccc(N2CCN(c3ccnc4ccccc34)CC2)nn1 664061409 XLJDLRYSRLDKNI-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c1 75273618 GKQPILZIYHCKDQ-GFCCVEGCSA-N 324.833 2.931 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NCCCC(=O)O 40267037 CCZSMDOIMDXTFV-UHFFFAOYSA-N 304.371 2.713 0 40 DFAB C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203924 ORXZHSMQKOPXPF-QWHCGFSZSA-N 306.410 2.527 0 40 DFAB CC(C)(C)C(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1 40117554 UTLOGBVOXZASDA-UHFFFAOYSA-N 314.389 2.897 0 40 DFAB O=C(NCCc1ccc2c(c1)CCO2)c1ccnc2ccncc12 225388327 MSSFHLRBDIEUBT-UHFFFAOYSA-N 319.364 2.537 0 40 DFAB COc1ccccc1NC(=O)NCCCN1CCC[C@H](C)C1 43135675 ZALNJEFQBPSKKD-AWEZNQCLSA-N 305.422 2.939 0 40 DFAB COc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)cc1OC 225325526 GYDPGGGCHVBDRK-UHFFFAOYSA-N 312.369 2.956 0 40 DFAB C[n+]1cc(Br)cc(-c2nc3cc(N)ccc3o2)c1 226778054 YNCPUVKQJQDJQI-UHFFFAOYSA-N 305.155 2.664 0 40 DFAB COc1ccc(Cn2ncc3ncccc3c2=O)c(Cl)c1 84489871 NHSUCQGMFRGMDI-UHFFFAOYSA-N 301.733 2.502 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2cnccn2)C1 225792642 CLGLCNSCSQEQDJ-SNVBAGLBSA-N 321.739 2.563 0 40 DFAB Cn1c(CCCNC(=O)Nc2nccs2)nc2ccccc21 96453052 HOOWIJQNHKQIIG-UHFFFAOYSA-N 315.402 2.784 0 40 DFAB COC(=O)c1ccc(Cl)c(CN2CC[C@]3(CCOC3)C2)c1 96500524 UGVZJCIXEAHTGK-INIZCTEOSA-N 309.793 2.739 0 40 DFAB COC(=O)c1n[nH]cc1NC(=O)c1cccc(C(C)(C)C)c1 577413134 RHKOYPJQCZMTNT-UHFFFAOYSA-N 301.346 2.746 0 40 DFAB FC(F)(F)c1ccnc(N2CCCN(c3ncccn3)CC2)c1 96444916 DKCPWCZQQZCZJL-UHFFFAOYSA-N 323.322 2.607 0 40 DFAB COC(=O)NCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 96414200 NIGDAFJZPAFQQW-CYBMUJFWSA-N 308.378 2.778 0 40 DFAB CCOC(=O)N1[C@H](C(=O)NC2CC2)CC[C@@H]1c1ccc(C)o1 96413171 ZECFSRPVYCFGTF-OLZOCXBDSA-N 306.362 2.529 0 40 DFAB CC(C)CCNc1nc(C(=O)NCc2ccncc2)cs1 95478769 PLEWVBDRAFMQEF-UHFFFAOYSA-N 304.419 2.926 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 96435102 XQPJTDNCRSSUQB-AWEZNQCLSA-N 305.422 2.815 0 40 DFAB O=C(O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 91293259 WTKURPVKNVDIFM-UHFFFAOYSA-N 306.325 2.849 0 40 DFAB COc1ccc(Cl)c(C(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1 96043628 MYGDEOSCYLZJMV-ZIBATOQPSA-N 309.793 2.988 0 40 DFAB CC(C)Oc1ccc([C@@H](O)CNC(=O)C[C@@H]2C=CCC2)cc1 96407919 UVXYQOFAIKXSMS-PBHICJAKSA-N 303.402 2.980 0 40 DFAB Cn1cc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)cn1 257204716 AVZIDRLXKUXSAD-INIZCTEOSA-N 324.428 2.593 0 40 DFAB Cc1cccc(N2CCC[C@H]2c2nc(C)ncc2CN(C)C)n1 257259189 KXFWXCQHAAHIIC-INIZCTEOSA-N 311.433 2.892 0 40 DFAB COc1ccc([C@H](NC(=O)c2cc(C)c(C)s2)C(=O)O)cc1 262169655 NSIXUSJVNNBOKJ-AWEZNQCLSA-N 319.382 2.929 0 40 DFAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 287716346 XVJYXHHIWDTQMQ-QRQYBIJMSA-N 310.463 2.948 0 40 DFAB Cc1oncc1C(=O)NCc1ccc(C(=O)c2ccco2)s1 96119893 RDLLYFHFMXSBPN-UHFFFAOYSA-N 316.338 2.799 0 40 DFAB Cc1cc(C(=O)NCCn2cc(-c3cccnc3)cn2)c(C)o1 585148369 JJSGBHCFNVJFAA-UHFFFAOYSA-N 310.357 2.585 0 40 DFAB CCOc1cc(N2CC(=O)N(C)c3ccccc3C2)c(F)cn1 585140502 GCFUYAJUBPFPID-UHFFFAOYSA-N 315.348 2.602 0 40 DFAB O=C(NCCCOC1CCCC1)Nc1cnn(CC(F)F)c1 71921433 UPRLLWVSWLGTFC-UHFFFAOYSA-N 316.352 2.619 0 40 DFAB Cc1ccc(OC[C@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)cc1 95404532 VBUZRFTZNDJKAV-KBPBESRZSA-N 316.405 2.556 0 40 DFAB CCCc1nc2[nH]c(C)c(Cc3ccccc3Cl)c(=O)n2n1 17054095 MUUCFLWAYRUIJO-UHFFFAOYSA-N 316.792 2.923 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCOCC1 19592460 WTIBTQGBPKSJPX-GFCCVEGCSA-N 321.348 2.679 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 12138970 ODPNZLMTXRXZDB-GRDNDAEWSA-N 305.418 2.892 0 40 DFAB aggregator Cc1cnc(N(C)[C@@H]2CCCN(CC3CC(F)(F)C3)C2)nc1 1888850360 FWSIXKWIZYGTAD-CQSZACIVSA-N 310.392 2.731 0 40 DFAB 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LJADSSZQGFDLAW-QWRGUYRKSA-N 304.415 2.892 0 40 DFAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1c(F)cccc1Cl 69817291 SKFZNIXGUCKVJM-ZRNGKTOUSA-N 305.802 2.643 0 40 DFAB NC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 21556101 MYWMSELJLNXMJA-UHFFFAOYSA-N 309.369 2.596 0 40 DFAB CCN1C[C@H](C(=O)Nc2cccc(SC(F)F)c2)CC1=O 66554562 HKWGTIOQKXVGMF-SECBINFHSA-N 314.357 2.808 0 40 DFAB O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@H]1CCCO1 66812881 VYACYHOWAMHQTD-CYBMUJFWSA-N 323.755 2.841 0 40 DFAB NC(=O)Nc1cccc(C(=O)NCCCOC2CCCCC2)c1 6989168 IBFSBCXRYZRCHT-UHFFFAOYSA-N 319.405 2.646 0 40 DFAB C[C@@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 6908492 ZIJSYJPKLMUXSW-SNVBAGLBSA-N 303.431 2.705 0 40 DFAB Cc1cccc(OCC(=O)NC[C@H](c2ccco2)N(C)C)c1C 15831496 HUQYNUPJMLUIFH-OAHLLOKOSA-N 316.401 2.694 0 40 DFAB Cc1cnc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)cn1 7536937 CNECSSMIKZWCMA-UHFFFAOYSA-N 310.353 2.704 0 40 DFAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC(C)C)n1C 7555001 OXJJGEUKWAPSNO-LLVKDONJSA-N 322.434 2.636 0 40 DFAB Cc1nnnn1-c1ccc(C(=O)NC2CCCCCCC2)cc1 71280037 IMVMZLSYWUBVNJ-UHFFFAOYSA-N 313.405 2.813 0 40 DFAB C[C@H](O)CN(C)C(=O)N[C@@H](CC1CCOCC1)c1ccccc1 96004723 TYNJQFIMAMHBCI-YOEHRIQHSA-N 320.433 2.567 0 40 DFAB Cc1ccccc1CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9390215 DJKKBXVPXACQBK-IBGZPJMESA-N 306.365 2.889 0 40 DFAB NC(=O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 71794731 OMGGDAQIYMJFBC-IAGOWNOFSA-N 308.381 2.699 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 71854091 BOHWYFZJZZRJBY-VHSXEESVSA-N 318.295 2.623 0 40 DFAB Cn1cccc1C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 71886303 BWUFAJRIDBKROF-ZDUSSCGKSA-N 318.348 2.974 0 40 DFAB CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)o1 72286868 FRWIJQAHDKFXQQ-ZDUSSCGKSA-N 313.357 2.682 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)n1 72291678 SDDYDMZSAWYFSY-SMDDNHRTSA-N 318.446 2.924 0 40 DFAB Cc1cccc(C(=O)N(C)c2ccccc2S(C)(=O)=O)c1C 84213355 YLZSTTRLZWCQAG-UHFFFAOYSA-N 317.410 2.984 0 40 DFAB CNC(=O)CCCC(=O)NC(C)(C)c1ccc(F)cc1Cl 97103140 XKKVTDMJSAZSPP-UHFFFAOYSA-N 314.788 2.747 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 97104011 JLNPPPKGQZNVPU-ZJUUUORDSA-N 324.343 2.891 0 40 DFAB O=C(NCCCNc1cccc(F)c1)c1cnn2c1CCCC2 97108092 ZRKZZOVJMHOPPT-UHFFFAOYSA-N 316.380 2.591 0 40 DFAB Clc1snnc1CN1CC[C@@H](CNc2ccccn2)C1 97200599 PSFBSMRFLHIZAL-JTQLQIEISA-N 309.826 2.521 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1coc2ccccc12 97379501 ZHAGUXBDIDEGOU-MRXNPFEDSA-N 310.353 2.985 0 40 DFAB c1ccc([C@@H]2OCC[C@H]2CNc2nnnn2-c2ccccc2)cc1 78357408 BYKLFKCGOUOPIQ-RDJZCZTQSA-N 321.384 2.852 0 40 DFAB C[C@H](NC(=O)N(CCc1ccccc1)[C@H]1CCOC1)C1CC1 95409457 CQEHVRLUMYOTOS-YOEHRIQHSA-N 302.418 2.828 0 40 DFAB COC[C@@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1ccco1 95410356 ARANARLZYKBVBS-RHSMWYFYSA-N 324.421 2.598 0 40 DFAB CCCC1(CNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 95426239 LBSPIOVOWMVEHK-BBRMVZONSA-N 312.479 2.921 0 40 DFAB c1ccc(OCC2CC2)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1 95457731 HHACAPALMWUBJV-IEBWSBKVSA-N 317.429 2.903 0 40 DFAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@]2(CCOC2)C1 95410572 CQMOEPCIQQSSJX-BQFCYCMXSA-N 300.402 2.612 0 40 DFAB CCCCNC(=O)N1CC(OCCCOc2ccccc2)C1 79101293 OYRSJGLOXFBZLB-UHFFFAOYSA-N 306.406 2.666 0 40 DFAB O=C(CCCn1ccnc1)Nc1c(Cl)ccc2nsnc12 95991199 GFSRDKQKGSRWBT-UHFFFAOYSA-N 321.793 2.960 0 40 DFAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CCc2ccccc21 95981679 KTNFRIUELWSIDJ-MGPUTAFESA-N 324.424 2.827 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)COc1cccc(C)c1 20143847 UIVKAOWINXRBSQ-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB O=C(c1ncccc1O)N(Cc1ccco1)CC(F)(F)F 124599558 FVBQEBZDSUNNPL-UHFFFAOYSA-N 300.236 2.585 0 40 DFAB CCN1CCN(c2ccc([C@@H](N)c3ccccc3)c(C)n2)CC1 72224683 BWFUMHYEIBPBJQ-IBGZPJMESA-N 310.445 2.580 0 40 DFAB COc1cc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79438735 SDRPHFPLLCCZEP-LBPRGKRZSA-N 323.393 2.511 0 40 DFAB CC(=O)NCCCCCC(=O)NC(C)(C)c1cccc(F)c1 76450111 BTCUAIJOBOFJML-UHFFFAOYSA-N 308.397 2.874 0 40 DFAB Cc1cc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)no1 31115603 HTSRPMDVVNRSHJ-UHFFFAOYSA-N 313.357 2.604 0 40 DFAB COc1ccc2[nH]cc(CC(=O)O[C@H]3CCC[C@H]3OC)c2c1 78985733 BZYMUBHAENWHCX-CVEARBPZSA-N 303.358 2.830 0 40 DFAB COCCCNc1nc(NCCCOC)c2ccccc2n1 76919757 MWYLWGFEAIDFFT-UHFFFAOYSA-N 304.394 2.527 0 40 DFAB Cc1ccc(NC(=O)c2nc(-n3ccnc3)ncc2Cl)cc1 41157745 KIOOVTJCGIUDBR-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1nc(NCC(C)C)sc1C(=O)NCc1ccncc1 40267246 RCVTVNFWZKCPGS-UHFFFAOYSA-N 304.419 2.844 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)c1nnc2ccccc2n1 46087929 RGGBROBKIGNLLO-UHFFFAOYSA-N 312.760 2.651 0 40 DFAB COC(=O)N1CCC(CNC(=O)Nc2ccccc2C)CC1 43982808 OTTACXIGUIDWHC-UHFFFAOYSA-N 305.378 2.595 0 40 DFAB COCCN(Cc1ccsc1)C(=O)Cc1cccc(OC)c1 42382158 XGLZBRLRXUCYKP-UHFFFAOYSA-N 319.426 2.974 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@H](C)CC 225379065 KOXNSMYZKRBTDI-ZIAGYGMSSA-N 320.433 2.737 0 40 DFAB Cc1ccc(NC(=O)CC[C@H]2CCCO2)c(OCCN(C)C)c1 96414021 BPSHRGNEPDWJNC-OAHLLOKOSA-N 320.433 2.833 0 40 DFAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 96412718 IUKVVWYICFNGFQ-ZDUSSCGKSA-N 322.836 2.571 0 40 DFAB Cc1nc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)no1 95958077 QKSUGNSAWPDELF-CYBMUJFWSA-N 311.744 2.744 0 40 DFAB CSC[C@@H](C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 96431155 QUGDFETXCJIJAH-CYBMUJFWSA-N 320.458 2.750 0 40 DFAB CC/C=C(\C)C(=O)NCc1ccnc(OC2CCOCC2)c1 96406029 ZUUCCUPKUWYJRU-YIXHJXPBSA-N 304.390 2.612 0 40 DFAB CCc1ccc(CC)c(NC(=O)NC[C@]2(O)CCSC2)c1 96447201 IOLYRHRUSKTWKW-MRXNPFEDSA-N 308.447 2.801 0 40 DFAB CCOc1ccc(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 238282979 IWXCMECHTAJTRX-ZDUSSCGKSA-N 323.389 2.996 0 40 DFAB C[C@H](NC(=O)CN(C)c1ccccc1N(C)C)c1ccco1 96485967 VGNKJVUKWSSFPF-ZDUSSCGKSA-N 301.390 2.659 0 40 DFAB CC1CCN(C(=O)c2c(-c3cccnc3)noc2[C@H](C)O)CC1 253403209 PNQXZHZILVEUKH-LBPRGKRZSA-N 315.373 2.662 0 40 DFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(NC(=O)OC(C)C)cc1 255189664 RIIDRODKZRHWBE-UHFFFAOYSA-N 314.407 2.674 0 40 DFAB CN1CC[C@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 252486441 KBCDEQNUCVVROQ-MLGOLLRUSA-N 322.815 2.985 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCCC[C@@H]1c1ccn[nH]1 257316357 VFFBRUFYIVGNGJ-MRXNPFEDSA-N 309.369 2.939 0 40 DFAB CCc1noc(C)c1NC(=O)NC[C@@H]1CCN(C(C)(C)C)C1 585101385 FTQFIVVSAHUFEX-LBPRGKRZSA-N 308.426 2.787 0 40 DFAB Cc1cccc(C(=O)N2CC[C@@H](c3ncn4ccsc34)C2)n1 585182561 RSJZGJHGBIERIV-GFCCVEGCSA-N 312.398 2.729 0 40 DFAB CCOCCc1cnc2n1CCN(C(=O)c1occc1C)[C@@H]2C 585097934 PMZVZQZTVXCGDM-CYBMUJFWSA-N 317.389 2.581 0 40 DFAB CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 45752758 VUDJXIMMKAAFMN-GXTWGEPZSA-N 317.389 2.917 0 40 DFAB COc1ccnc(NCCNc2ncc(Cl)cc2Cl)n1 52215716 HKPDIBAESBZFGE-UHFFFAOYSA-N 314.176 2.711 0 40 DFAB C/C=C/CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(Cl)cc1 58332235 NZSIZBWIEMWSMH-HMDXOVGESA-N 301.795 2.658 0 40 DFAB O=C(c1ccccc1OC(F)(F)F)N1CC[C@@]2(CCOC2)C1 97033131 UYELGWKKFXGRGE-CQSZACIVSA-N 315.291 2.838 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cc(C)cc(C)c1 5166737 BULBUYHYPAALRQ-UHFFFAOYSA-N 316.357 2.958 0 40 DFAB O=C(NC1CCCCC1)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 5895073 NAXFMFODZJXYTF-CQSZACIVSA-N 324.808 2.968 0 40 DFAB CCn1ccnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 13693656 YUVBODPWTZLLGB-UHFFFAOYSA-N 318.808 2.519 0 40 DFAB CCN1CCN([C@H](CC(C)C)c2nnnn2C2CCCC2)CC1 19527891 RIJBFTUMODQJQU-MRXNPFEDSA-N 320.485 2.513 0 40 DFAB Cc1nonc1CN(C)Cc1cc(Cl)c2c(c1)OCCCO2 19658799 OQBBFCOCZCLKAA-UHFFFAOYSA-N 323.780 2.825 0 40 DFAB Cc1csc(N2CCN(C(=O)[C@]3(C)C[C@H]4CC[C@H]3C4)CC2)n1 527926953 AXMJIFIAHDHLBD-GRDNDAEWSA-N 319.474 2.926 0 40 DFAB Fc1cccc(Cl)c1CN1CCN(c2cnsn2)CC1 1889122722 PFVSJTWKHICGQU-UHFFFAOYSA-N 312.801 2.653 0 40 DFAB O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCSCC1 1889136272 KPBQZMFSIOQGSV-OAHLLOKOSA-N 322.449 2.613 0 40 DFAB CCCCNC(=S)N1CCN(c2ccc(C(C)=O)cc2)CC1 13879025 HFLDPELHRLYZEH-UHFFFAOYSA-N 319.474 2.686 0 40 DFAB Cc1cnc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH]1 1848355441 NJPYXULHIQXTCF-GFCCVEGCSA-N 317.393 2.521 0 40 DFAB O=C(NC[C@@H]1CCCO1)N1CC2(CC(c3ccccc3)C2)C1 1776000731 HOPQFBFRLZJGPY-INIZCTEOSA-N 300.402 2.755 0 40 DFAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnsc1Cl 40498005 JNWJQSVVDFTMLM-WCBMZHEXSA-N 322.821 2.559 0 40 DFAB CCc1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1 4851122 HCXQNRIRFWKOPC-UHFFFAOYSA-N 324.380 2.552 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)Cc1ccccc1 8931698 STFXIZMQXFBGRJ-UHFFFAOYSA-N 313.382 2.554 0 40 DFAB FC(F)(F)c1ccnc(N2CC(c3nnc4ccccn34)C2)c1 2298212727 DTVOWOOKYHWCMR-UHFFFAOYSA-N 319.290 2.747 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(F)cc(F)c1 30159580 RDIKFZSNOYHCIA-QLJPJBMISA-N 319.307 2.810 0 40 DFAB Cc1nnc(NC(=O)NCCOc2c(C)cccc2C)s1 40146019 IEEUAOIQPHCTDZ-UHFFFAOYSA-N 306.391 2.664 0 40 DFAB O[C@]1(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CCOC1 90850185 LVXOSLHWNIUOQS-ROUUACIJSA-N 301.361 2.656 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)on1 31397597 VJFNQULPOLMOQQ-NSHDSACASA-N 313.357 2.823 0 40 DFAB COc1cc(CC(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 2639787 CADFDDIOYLKJKP-TZMCWYRMSA-N 321.417 2.950 0 40 DFAB COc1ccc(NC[C@@H](O)COc2ccc(OC)cc2)cc1 4331439 NJVDBXADJFYVEG-CQSZACIVSA-N 303.358 2.556 0 40 DFAB O=C(Cc1csc(-n2cccc2)n1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101716982 SLZSPEXMJKZIEH-IHRRRGAJSA-N 313.426 2.805 0 40 DFAB O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 32641469 GZBCAKACHGCTRF-UHFFFAOYSA-N 323.396 2.943 0 40 DFAB COc1ccc(-n2nc(C(=O)O)nc2-c2cccc(C)c2)cc1 8730807 ZGEIHIZLNJLYRM-UHFFFAOYSA-N 309.325 2.950 0 40 DFAB CCN1CCc2nc(NC(=O)Cc3ccccc3)sc2C1 21295005 PZBMDWJLPKTQBA-UHFFFAOYSA-N 301.415 2.702 0 40 DFAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)c1 2649577 XOCDQGSNCMUMQV-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB C[C@@H](CNC(=O)CCc1ccco1)N1CCc2sccc2C1 32817164 NKKSRESNOBALDB-ZDUSSCGKSA-N 318.442 2.837 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)Nc2nc(C)cs2)c1 9300398 QUPQLNVTWQYTHS-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cnn1C(C)(C)C 46490961 NHZNXYFVSWRJOR-LSDHHAIUSA-N 305.422 2.730 0 40 DFAB COc1ccccc1NC(=O)Cn1c(=O)cc(C)c2ccccc21 12000207 NHMNLWXSBHBBGP-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB CCCCOc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc1 21937724 QTNYWWITWZOMHY-UHFFFAOYSA-N 320.433 2.852 0 40 DFAB CCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 557547 DYURRTLKGBADLJ-UHFFFAOYSA-N 301.375 2.818 0 40 DFAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC(O)CC1 22011141 FXVCPFANETUOHA-SFHVURJKSA-N 310.397 2.823 0 40 DFAB Cc1ccccc1CN(C)C(=O)N[C@H]1CCCc2c1cnn2C 47002776 AURMRSIJXIKCCI-INIZCTEOSA-N 312.417 2.948 0 40 DFAB COc1ccc(CC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20050846 RKKIQIGPFFAVJI-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2ccc(OC(F)F)cc2)n1 23245976 VFYLFSBCNFNGOE-UHFFFAOYSA-N 323.343 2.921 0 40 DFAB Cn1cc(NC(=O)NCCc2nc(C(C)(C)C)cs2)cn1 104982917 PAPFMNMSEMHTED-UHFFFAOYSA-N 307.423 2.538 0 40 DFAB NC(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 42687658 WPYBUWZMOJURAB-UHFFFAOYSA-N 312.344 2.985 0 40 DFAB Cc1ccccc1OCCN(C)Cc1nc2ccccc2c(=O)[nH]1 23995351 QGWYUFLDOORABS-UHFFFAOYSA-N 323.396 2.742 0 40 DFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1CCCCC1 24013829 QLNNCTCTJPKUQI-GOSISDBHSA-N 316.445 2.756 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cnns2)c(OC)c1 47817231 FUEJMGCQCZWSMP-LBPRGKRZSA-N 319.386 2.533 0 40 DFAB CCC(=O)Nc1cccc(C(=O)NCCOc2ccccc2)c1 48164415 CBZSGROOWPNOTL-UHFFFAOYSA-N 312.369 2.844 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)s1 3339404 SJQZOPNRTGZAGR-VIFPVBQESA-N 305.428 2.916 0 40 DFAB C[C@H](CNC(=O)c1ccc(Br)cc1)N1CCCC1 36076988 FPVNUTKJENOVSW-LLVKDONJSA-N 311.223 2.663 0 40 DFAB O=C(CN1CSCC1=O)Nc1ccc2c(c1)-c1ccccc1C2 8249392 DLGVDOGJGPCXJO-UHFFFAOYSA-N 324.405 2.729 0 40 DFAB CCC(CC)N(C(=O)c1ccc(-n2cnnn2)c(C)c1)C1CC1 58306907 XDRINFQRODXKNZ-UHFFFAOYSA-N 313.405 2.764 0 40 DFAB O=C(CCc1nc2ccccc2s1)NO[C@@H]1CCCCO1 58330483 NNASAVSOTGTRNF-OAHLLOKOSA-N 306.387 2.803 0 40 DFAB C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)[C@H]1CCCO1 27908113 WBROPWHKNXLVOE-QMTHXVAHSA-N 304.321 2.778 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 58416100 ZDJKAXOHIBCZII-SJKOYZFVSA-N 312.369 2.820 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CC[C@@H]2CCCO2)n1 70039908 ZPHJIFFXEUYNPU-IRXDYDNUSA-N 319.449 2.840 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1C 48383599 SEMZHZPZNOGZIW-UONOGXRCSA-N 316.357 2.559 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2ccc(F)cc2Cl)c(=O)[nH]1 12924053 GCCJITIQAYYEJG-UHFFFAOYSA-N 323.755 2.751 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)c1 13048767 YAEVDUYNZOLFMM-AWEZNQCLSA-N 303.362 2.713 0 40 DFAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc[nH]1 69559766 AFSGHXKWXXYCPE-ZCFIWIBFSA-N 301.133 2.518 0 40 DFAB CC(C)(C)c1nnc2sc([C@H]3COc4ccccc4O3)nn12 5015476 KQNXYCMNSUUNRG-LLVKDONJSA-N 316.386 2.996 0 40 DFAB c1csc(-c2noc(CN3CCC[C@H]3Cn3cccn3)n2)c1 69740166 QGQPKEKEJCBCEE-LBPRGKRZSA-N 315.402 2.659 0 40 DFAB Cc1noc(C)c1CN[C@@H](C(=O)N1CCCC1)c1ccccc1 65539968 GNDREXGJFMJNLX-QGZVFWFLSA-N 313.401 2.745 0 40 DFAB CCCc1nc(CS(=O)(=O)Cc2ccc(Cl)s2)no1 65578015 SOWRASQHWPWYCG-UHFFFAOYSA-N 320.823 2.852 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2cccc(OC)c2)c(F)c1 65548761 UIHJJHPABZIYHY-UHFFFAOYSA-N 317.316 2.802 0 40 DFAB Cc1cc(NC(=O)N(C)CCCNc2ccccc2)n(C)n1 65537750 IWMPGDJAAYLHRF-UHFFFAOYSA-N 301.394 2.694 0 40 DFAB O=S(=O)(NCc1ccccc1F)c1ccc(F)cc1F 14224902 MBIOUSFNZFWTNV-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB Fc1ccc(CN2CCCN(CCc3ccncc3)CC2)cc1 66349672 RVNRJFLXKPTWJC-UHFFFAOYSA-N 313.420 2.971 0 40 DFAB Cn1cc(C(=O)NC(C)(C)c2ccc(Cl)cc2)ccc1=O 66527423 PDWXQORPFOSPHY-UHFFFAOYSA-N 304.777 2.704 0 40 DFAB CC(=O)Nc1nc(O)c(Br)c(-c2ccccc2)n1 14983326 YVMWEOWUBQRIOI-UHFFFAOYSA-N 308.135 2.570 0 40 DFAB CNC(=O)NC(=O)[C@H](Nc1ccc2c(c1)CCC2)c1ccccc1 7242576 HFAUACUKPQKNDD-QGZVFWFLSA-N 323.396 2.784 0 40 DFAB O=C(CSc1ncccn1)Nc1ccc(N2CCCC2)cc1 15707404 AXEHFCIHDNXIEF-UHFFFAOYSA-N 314.414 2.808 0 40 DFAB CN1CCC(C)(COC(=O)[C@H]2CCOc3ccccc32)CC1 96004153 FVLVOKOXFJKKRC-HNNXBMFYSA-N 303.402 2.828 0 40 DFAB Cc1ccc(C)c(CN2CCc3cc(S(N)(=O)=O)ccc32)c1 9322870 ZWWFSCYQQACEGF-UHFFFAOYSA-N 316.426 2.514 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2ccccn2)cc(OC)c1OC 9363912 ROJDIUOXLYCEIG-LLVKDONJSA-N 316.357 2.598 0 40 DFAB CC1CCC(N(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C2CC2)CC1 71800814 DSTIXONHEPWTRV-OWYJLGKBSA-N 304.434 2.567 0 40 DFAB Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 71835553 MDGMYHXBAFGJQA-UHFFFAOYSA-N 310.275 2.814 0 40 DFAB CC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccs1 89947957 NFDSHDWENWMRBB-VXGBXAGGSA-N 303.449 2.688 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 84026758 RXURYLZSPSEJLE-TUAOUCFPSA-N 324.494 2.589 0 40 DFAB C[C@@H]1CN([C@@H](CNCc2ccncc2)c2cccs2)CCO1 72254134 JDTXWODWPORFFB-ZBFHGGJFSA-N 317.458 2.695 0 40 DFAB CCN(CCNC(=O)c1ccccc1-c1cncnc1)C(C)C 72294764 KHTIGZOOBNPNGJ-UHFFFAOYSA-N 312.417 2.604 0 40 DFAB O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1cccs1 97235895 RCQGWNBLRCMPDK-UHFFFAOYSA-N 308.306 2.963 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 95396494 XUSRLDQELVZGJF-WBVHZDCISA-N 308.466 2.811 0 40 DFAB COC(=O)c1cnc(N2CCCCC2)cc1N1CCCCC1 95429791 BREKYDKWVBJPGD-UHFFFAOYSA-N 303.406 2.849 0 40 DFAB OCCOc1ccc(NCc2c[nH]nc2-c2cccs2)cn1 95436149 FXPUJLGHNMUNME-UHFFFAOYSA-N 316.386 2.516 0 40 DFAB CCCOc1cc(F)ccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 84756797 ILJXDIIRYCJQQE-WCQYABFASA-N 308.353 2.673 0 40 DFAB Clc1ccc(CN2CCO[C@H](CNc3cccnn3)C2)s1 78894230 PEQZFROKINFNPM-LLVKDONJSA-N 324.837 2.504 0 40 DFAB C[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccs1 78992939 ZFSAGWQFIKIAJM-BXKDBHETSA-N 322.352 2.560 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1Cc1cc(=O)c(O)co1 88562197 DRZAGZMASPUSFB-AWEZNQCLSA-N 314.385 2.576 0 40 DFAB CC(C)(NCC(=O)NCc1ccccn1)c1cccc(Cl)c1 95985288 CZNKTLXHSVKTOV-UHFFFAOYSA-N 317.820 2.876 0 40 DFAB CCN(C(=O)Cc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 95940484 RRIDMNCSXSLWNT-IBGZPJMESA-N 323.440 2.747 0 40 DFAB O=C(NCC1CC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 95982050 RJNSNPHLDXREPT-UHFFFAOYSA-N 317.216 2.907 0 40 DFAB O=C(Nc1ncccn1)C1CCN(CC2CCCCC2)CC1 95952954 XYPZJYYBQWICAQ-UHFFFAOYSA-N 302.422 2.707 0 40 DFAB CCc1nc(CCN[C@H]2CCN(CC(F)(F)F)C2)sc1C 88698488 BBHQJCYQIUBNHW-NSHDSACASA-N 321.412 2.783 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330050 KBBAIPDHXQNJRF-SECBINFHSA-N 303.280 2.777 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)cc2)cc1 72228061 CTRQSKPGYWJLJE-SJORKVTESA-N 312.369 2.509 0 40 DFAB CS(=O)(=O)N1CCC[C@@H](c2ccc(NC3CCCC3)cn2)C1 72364696 SETDTRFNQMKIDF-CYBMUJFWSA-N 323.462 2.575 0 40 DFAB C/C=C/CSCC(=O)Nc1cccc(C(=O)NC2CC2)c1 78714553 XKSYYTLGEWXWPI-NSCUHMNNSA-N 304.415 2.827 0 40 DFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CC 224308967 LLIQSHIALAKKMU-AWEZNQCLSA-N 310.825 2.993 0 40 DFAB S=C(Nc1cnc(Br)cn1)NC1CCCCC1 224038177 NVMRSXJHMPOZPP-UHFFFAOYSA-N 315.240 2.858 0 40 DFAB O=C(c1ccccc1)N1CC[C@H](Cn2nc3ccccc3n2)C1 521398885 XGYRMNKJSSHBRF-AWEZNQCLSA-N 306.369 2.594 0 40 DFAB CCOc1ccc(-c2noc(CNC(=O)C(C)(C)C)n2)cc1 225366997 PQHKGHCVPDTZIL-UHFFFAOYSA-N 303.362 2.798 0 40 DFAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 225649997 WBASAGFWKAIDJO-KRWDZBQOSA-N 308.422 2.771 0 40 DFAB Cn1cc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cn1 195544356 JAANMFVBWCWASX-UHFFFAOYSA-N 324.262 2.960 0 40 DFAB Cc1cc(N(C[C@H]2CCOC2)C2CC2)nc(-c2ccncc2)n1 195565419 IOHHXBFSZMDKPL-CQSZACIVSA-N 310.401 2.852 0 40 DFAB CCc1ccc(CNC(=O)C(=O)NCCCc2ccccc2)cc1 192675523 HWYPXTVJJLJSHZ-UHFFFAOYSA-N 324.424 2.614 0 40 DFAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 96685546 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Cc1cc(OC(F)F)c(C(=O)N(C)Cc2nccn2C)s1 71907583 OYLMGRSXSLKQSB-UHFFFAOYSA-N 315.345 2.664 0 40 DFAB O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[C@H]1CO 84335459 ZAIDASSXKAVQOQ-TVQRCGJNSA-N 318.200 2.649 0 40 DFAB OC[C@@H](NCc1nc(C2CC2)no1)c1ccc(Cl)c(F)c1 96006520 GASFMYPGQGSZNV-GFCCVEGCSA-N 311.744 2.563 0 40 DFAB Cc1noc([C@H](C)NC(=O)C[C@H]2CCOc3ccccc32)n1 96409862 YJHYCWNBQJEKGJ-CMPLNLGQSA-N 301.346 2.512 0 40 DFAB O=C(OCc1cncs1)c1ccn(-c2ccccc2F)n1 97050419 FKTIRZZJPZRWHD-UHFFFAOYSA-N 303.318 2.825 0 40 DFAB Cc1nscc1C(=O)O[C@@H](c1cnn(C)c1)C(F)(F)F 97084395 PDQAHEOTUWPJEI-VIFPVBQESA-N 305.281 2.645 0 40 DFAB CCN(CCOc1ccc(Br)cc1)[C@H](C)C(=O)O 225451111 ADMBDOMNWSKVIP-SNVBAGLBSA-N 316.195 2.623 0 40 DFAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1F 5153610 DMXDAYFCFLHJAB-UHFFFAOYSA-N 310.328 2.913 0 40 DFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccsc1 12905051 UAKIWZQGTMFTMY-UHFFFAOYSA-N 306.362 2.527 0 40 DFAB O=C1NCCNC[C@@H]1Cc1ccccc1-c1ccc(F)c(F)c1 19348587 QOCMYLPWRUJWHV-AWEZNQCLSA-N 316.351 2.510 0 40 DFAB CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NCC(=O)O)CC1 247964320 AZUNQKUPAYWDEF-QAQDUYKDSA-N 304.434 2.882 0 40 DFAB COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@H]2O)cc1 403213 LHBHZALHFIQJGJ-LSDHHAIUSA-N 301.367 2.842 0 40 DFAB O=C(O)CC1(NC(=O)c2ccnn2C2CCCC2)CCCCC1 568584033 OPXXDGXYVPTFLQ-UHFFFAOYSA-N 319.405 2.906 0 40 DFAB COc1cccc(CC(=O)Nc2ccc(OC)cc2OC)c1 3606825 YMTIWBMYDXISHD-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB CNC(=O)c1ccc(CN(Cc2c(C)noc2C)C2CC2)cc1 25189834 COFVRUVYJAAELO-UHFFFAOYSA-N 313.401 2.816 0 40 DFAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccn(C)c(=O)c1 28413946 VAGVCIOCDMCEHD-UHFFFAOYSA-N 312.413 2.955 0 40 DFAB O=C(CC1CC1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037913198 YRIHOYNKJOIJGJ-SFHVURJKSA-N 303.402 2.609 0 40 DFAB CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccco1 330991 ASSMSNJPOQTZIX-LBPRGKRZSA-N 304.268 2.779 0 40 DFAB O=C(Nc1nnc(-c2ccno2)o1)c1nc2ccccc2s1 12234424 PZMJZLXNRMAOKE-UHFFFAOYSA-N 313.298 2.587 0 40 DFAB CC(=O)N1CCC2(CCCN2Cc2ccc(F)c(F)c2)CC1 2055819359 LBIPZTYAUJUKPN-UHFFFAOYSA-N 308.372 2.942 0 40 DFAB COC(=O)c1cccc(-n2cc(-c3ccc(OC)cc3)nn2)c1 81088587 YOAAWJYXHLOKQP-UHFFFAOYSA-N 309.325 2.730 0 40 DFAB O=C(CN1CCCc2cccc(F)c21)NCc1cccs1 40050471 BKLXXYYNLHTOBB-UHFFFAOYSA-N 304.390 2.956 0 40 DFAB O=C(C[C@@H](NCc1ccco1)C(=O)O)c1ccc(Cl)cc1 49070 RRKIMBSIGJATEF-CYBMUJFWSA-N 307.733 2.749 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 40107333 VBYVYTFWBSAWEY-ZBFHGGJFSA-N 321.465 2.609 0 40 DFAB CCN1C(=O)c2ccccc2N[C@H]1c1cc(C(=O)OC)c(C)o1 30543184 QUMCPBHPBBJWJZ-OAHLLOKOSA-N 314.341 2.961 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-c2ccccc2)cc1 30706630 OWQTVUAIJOQXBO-ZDUSSCGKSA-N 319.364 2.928 0 40 DFAB O=C(NCCOc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 15554739 LDXOHVKSKKDLKL-UHFFFAOYSA-N 324.380 2.844 0 40 DFAB NC(=O)[C@@H](OC(=O)c1ccc2ncsc2c1)c1ccccc1 11428355 BVFOWCDFMOHOHJ-AWEZNQCLSA-N 312.350 2.680 0 40 DFAB Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCCCC3)C2)n1 1358517 JWAQSTPGFSHWGX-INIZCTEOSA-N 316.449 2.698 0 40 DFAB CCOC(=O)c1cnc2ccccc2c1N1CCC(CO)CC1 50929979 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2.982 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3c[nH]c4ncccc34)C2)n1 69559567 SHYLKAQQBUMHSI-CQSZACIVSA-N 323.400 2.854 0 40 DFAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 4124922 OWVYDBUCWKSRJB-AWEZNQCLSA-N 314.414 2.950 0 40 DFAB Cc1noc(CCNC(=O)Nc2ccc(OC(C)C)cc2C)n1 69656790 SCFVWYFGGMKOMN-UHFFFAOYSA-N 318.377 2.838 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](c2ccccc2)C1 23896562 POJNXGKEZIBYLX-QGZVFWFLSA-N 311.337 2.629 0 40 DFAB C[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1C(N)=O 14015070 HFWIEBPYCRLTMZ-ZDUSSCGKSA-N 324.380 2.532 0 40 DFAB C[C@@H](OC(=O)CCCCCc1ccc(O)cc1)C(=O)NC1CC1 65607934 BLGIIXZNXTTZFO-CYBMUJFWSA-N 319.401 2.705 0 40 DFAB O=C(CSc1nc2ncccc2[nH]1)Nc1ccc(F)c(F)c1 5460091 ISBRXINWLAEIMH-UHFFFAOYSA-N 320.324 2.967 0 40 DFAB COCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 4669039 AMNVKZZUZAOZHY-UHFFFAOYSA-N 307.353 2.673 0 40 DFAB C[C@H](N[C@H](C)Cn1cccn1)c1nnc(-c2cccs2)o1 69367635 UJTZWKBTABSMDK-MNOVXSKESA-N 303.391 2.734 0 40 DFAB CCC[C@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976130 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Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)oc2ccc(F)cc12 71829794 QKDCKUZLMMMUFY-ONGXEEELSA-N 318.348 2.606 0 40 DFAB Cn1nc(CC(C)(C)C)cc1NC(=O)Cc1cccc(O)c1 71888537 ZVOQNXZVFFCQOE-UHFFFAOYSA-N 301.390 2.896 0 40 DFAB NC(=O)CCSCc1nn(-c2ccc(F)cc2)c2c1CCC2 78552278 KCVKVPXQLATKFP-UHFFFAOYSA-N 319.405 2.609 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC([C@H](C)O)CC1 72277783 BNTMREZLNYCPLL-ZDUSSCGKSA-N 308.426 2.706 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(-n2ccnc2)c1 72287428 DSBOKCXVSLGDNE-CQSZACIVSA-N 306.369 2.891 0 40 DFAB C[C@@H](CNC(=O)Nc1cccnc1)CN(C)C(=O)OC(C)(C)C 78644768 SOTNGLJYTYCGAR-LBPRGKRZSA-N 322.409 2.706 0 40 DFAB Nc1nccnc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 78727150 CTMMBNVUSQBWJL-UHFFFAOYSA-N 302.337 2.882 0 40 DFAB CCc1nc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c[nH]1 95407880 JREUMIKCAMYSLW-UHFFFAOYSA-N 320.780 2.580 0 40 DFAB O=C(NCCc1cccc2cccnc12)[C@H]1CCCc2cn[nH]c21 95448902 NWFHYNXURVEKPE-INIZCTEOSA-N 320.396 2.737 0 40 DFAB CSc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1F 95975262 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C[C@@](O)(CNC(=O)c1ccc(Br)o1)c1ccccc1 70639608 GVZQIQQDSWOJOQ-CQSZACIVSA-N 324.174 2.680 0 40 DFAB CCOC(=O)C(F)(F)[S@@](=O)c1nc2ccccc2s1 217577188 MWVYFRDFZDSGGR-IBGZPJMESA-N 305.327 2.560 0 40 DFAB COC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 77010656 IDUYXUBYRNBTGM-UHFFFAOYSA-N 310.350 2.576 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 72361774 CREBRTKWCAKWNT-CQSZACIVSA-N 311.389 2.650 0 40 DFAB CCN1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 48366541 ROSREYAIIZAOOZ-ZDUSSCGKSA-N 318.396 2.883 0 40 DFAB COCCn1ccc2c(C(=O)Nc3cc(C)n(C)n3)cccc21 79488403 YZZXDLDFLILZST-UHFFFAOYSA-N 312.373 2.582 0 40 DFAB COc1ccc(OC)c(N(C)S(=O)(=O)c2cccs2)c1 225126508 DJECYKBWQLNDCS-UHFFFAOYSA-N 313.400 2.590 0 40 DFAB CC[C@@H](C)OC(=O)c1snnc1-c1cnc(SC)nc1 223854016 KYLBSDHWULBYCH-SSDOTTSWSA-N 310.404 2.672 0 40 DFAB Cc1ccc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)cc1 225317942 LMDHNHSOPFYWSD-UHFFFAOYSA-N 301.317 2.861 0 40 DFAB Cc1ccc(-c2noc(CNC(=O)Cc3cccs3)n2)cc1 41152924 NYEYFDRWAMBXHZ-UHFFFAOYSA-N 313.382 2.965 0 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DFAB Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 7708680 UWUUKPQLMVWURZ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB C=CC(=O)Oc1cccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 100496741 IAAKDUGHWAPNAF-CABCVRRESA-N 311.337 2.624 0 40 DFAB COc1ccccc1OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 100261242 MLZNYUVTRHOJPH-IRXDYDNUSA-N 304.342 2.723 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@@H]1COc2ccccc2O1 21556306 PBFKDWWSEQTGFY-GFCCVEGCSA-N 316.357 2.676 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1 32899706 UODOWHYRKZEWLV-UHFFFAOYSA-N 322.364 2.728 0 40 DFAB NS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(Cl)c1 481462 DVXSPCIJCSAKDJ-UHFFFAOYSA-N 318.185 2.779 0 40 DFAB O=c1cc(Cn2ccnc2)c2ccc(Br)cc2o1 10809627 QNIBVNISOIMVJK-UHFFFAOYSA-N 305.131 2.800 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100539673 BHUWYHGAMQJNGC-KPLDXPABSA-N 309.365 2.643 0 40 DFAB COc1ccc(-n2nc(C)c3c(=O)c(Cl)c(C)[nH]c32)cc1 9448799 MGFDLLFVRVTPHN-UHFFFAOYSA-N 303.749 2.993 0 40 DFAB CCc1c(NC(=O)N2CCOC3(CCC3)C2)cnn1CC(C)C 104333128 HJBMYWQFPOTRDP-UHFFFAOYSA-N 320.437 2.888 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1C(=O)N(OCc2ccccc2)C1(C)C 34204932 MEKOFWOLQDJVOL-ZDUSSCGKSA-N 320.389 2.632 0 40 DFAB CCc1cc(C(=O)N2CCC(c3nncn3C)CC2)sc1C 24691408 SEIHMGJULRQKAD-UHFFFAOYSA-N 318.446 2.767 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)Cc3ccccc3C)cc12 25015121 SKCKLNQGRPBWQC-UHFFFAOYSA-N 323.352 2.839 0 40 DFAB O=C(O)c1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O 1401799 GUWKHLANBBRVJE-UHFFFAOYSA-N 316.700 2.652 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 56642727 WTZOVZRHRNOPRN-UHFFFAOYSA-N 312.373 2.543 0 40 DFAB CCc1[nH]c(C(=O)Oc2ccccc2OC)c(C)c1C(=O)OC 57498051 QRHRDQRRGVDXGG-UHFFFAOYSA-N 317.341 2.900 0 40 DFAB COC(=O)C[C@@H]1CSCCN1[C@H](C)c1nc2ccccc2o1 108463172 INVQZCLFRWYPHO-VXGBXAGGSA-N 320.414 2.869 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1ccccc1 12591263 OPYLTWCTMSRQDN-GASCZTMLSA-N 303.402 2.952 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 36091825 FQAOOZVCWFLXBX-HNNXBMFYSA-N 324.852 2.876 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O 409016590 DTULXNBAFUYWLC-IDIMHEFGSA-N 321.354 2.824 0 40 DFAB CC(C)=CC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 58226475 QDPYLJBAKHENTC-UHFFFAOYSA-N 321.808 2.878 0 40 DFAB CCN1CCC[C@H](CNC(=O)c2cc(-c3cccs3)on2)C1 58264762 TWEAWWZKHPULGS-GFCCVEGCSA-N 319.430 2.865 0 40 DFAB COc1ccccc1SCC(=O)Nc1sccc1C(N)=O 58263833 KSUXKWIHBBGSAT-UHFFFAOYSA-N 322.411 2.586 0 40 DFAB CC(C)(C)c1noc(CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)n1 58345057 PCGDBYBBCLFWIB-OKILXGFUSA-N 323.437 2.527 0 40 DFAB CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1 58452503 OEFHEMWKDCXNMI-ZDUSSCGKSA-N 300.324 2.758 0 40 DFAB COc1cccc(CCC(=O)N[C@@H](C)c2ccncc2)c1OC 48285628 BBCSLCVQPIXJQC-ZDUSSCGKSA-N 314.385 2.909 0 40 DFAB CC[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 62325525 MPZPAMMBCYHIAB-QGZVFWFLSA-N 314.429 2.940 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](n2ccnc2C)C1 70003988 CCXUYSASEARQJE-OAHLLOKOSA-N 316.405 2.593 0 40 DFAB CC1CCC(NC(=O)C[S@](=O)Cc2ccccc2F)CC1 69350805 FFAFQTOSTMRAET-FPBQERKUSA-N 311.422 2.769 0 40 DFAB O=C(c1ccccc1)[C@H]1Sc2nncn2N=C1c1ccccc1 8391807 BDDGKMLJLKUJRU-INIZCTEOSA-N 320.377 2.888 0 40 DFAB COc1cccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 8331696 FWOULFWKKWKBFM-MRXNPFEDSA-N 317.772 2.969 0 40 DFAB CCc1cc(=O)[nH]c(-c2ccc(N3C[C@@H](C)C[C@H](C)C3)nc2)n1 65566141 YEDUDCZMGBVRIV-STQMWFEESA-N 312.417 2.877 0 40 DFAB CCn1ncc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1C 17066398 YKDWMMPVCCDVNE-MRXNPFEDSA-N 324.363 2.998 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Cc3ccccc3)cc2)CN1 14632576 KGXSGQZASRJLQA-ROUUACIJSA-N 311.381 2.560 0 40 DFAB CCN(CC)c1cnn(-c2ccccc2)c(=O)c1Br 6757753 IWAHNRKPHAMCQG-UHFFFAOYSA-N 322.206 2.841 0 40 DFAB c1cnnc(N2CCC[C@H](NCc3cc4ccccc4o3)C2)c1 69738320 PPYZJUBCELMVGB-HNNXBMFYSA-N 308.385 2.981 0 40 DFAB COCCOCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 67065668 IYQQRNPDMNQSRX-QGZVFWFLSA-N 320.433 2.629 0 40 DFAB CCOc1ccc(OCCn2cnc3sccc3c2=O)cc1 7495133 RIEBEUYADTVVJX-UHFFFAOYSA-N 316.382 2.936 0 40 DFAB C[C@@H]1C(=O)Nc2ccccc2N1C(=O)CSCC(F)(F)F 90631136 KKNODAAAUHQTHU-MRVPVSSYSA-N 318.320 2.656 0 40 DFAB Cc1ncc(CN2CCC(n3cncn3)CC2)n1-c1ccccc1 92647889 WSMDQVSDCRAXDB-UHFFFAOYSA-N 322.416 2.609 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc2c(c1)OCO2 71279915 NXZOIUROQDQVLV-SNVBAGLBSA-N 315.329 2.610 0 40 DFAB CC(C)(O)CSCCNCc1cc(F)cc2cccnc12 89761837 NGLDGAYGDUNVET-UHFFFAOYSA-N 308.422 2.968 0 40 DFAB COCCCCCNc1ccc(C(=O)Nc2ccccc2)nn1 71915137 NGJFIAGURPMMQH-UHFFFAOYSA-N 314.389 2.958 0 40 DFAB COc1ccccc1[C@@H](NC(=O)Cc1ccon1)c1ccccn1 89849258 UTHKRRPCPNUFFL-GOSISDBHSA-N 323.352 2.527 0 40 DFAB CCCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 96425864 QHTHATVBIFPQOA-JTQLQIEISA-N 301.383 2.597 0 40 DFAB Cc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)s1 71893338 MPZHTOYCIOMTIL-UHFFFAOYSA-N 322.474 2.821 0 40 DFAB COc1ccc2cc(CN[C@@H](C)CN3CCCC3=O)ccc2c1 71808751 JCIPQZDTVVALOT-AWEZNQCLSA-N 312.413 2.949 0 40 DFAB COCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 409133170 PAAXSWKGHXFKIP-MDWZMJQESA-N 302.355 2.851 0 40 DFAB CN1CCO[C@@H](CNCc2csc(C3CCCCC3)n2)C1 72267899 QNNRNTSCVAVLJG-HNNXBMFYSA-N 309.479 2.611 0 40 DFAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCCS1 97017301 HJSCLAULBIGAPV-PVAVHDDUSA-N 305.491 2.777 0 40 DFAB CC[C@@H](COc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C 97050596 SBFMDSXXQOVKBI-AWEZNQCLSA-N 324.384 2.556 0 40 DFAB C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 97107897 BXBHRVRXMFTSDV-HZPDHXFCSA-N 324.465 2.651 0 40 DFAB CC(C)(C)c1nnc(CN2CCC[C@@H]2c2noc(C3CC3)n2)o1 76047900 VILLMVWXUCNGQD-LLVKDONJSA-N 317.393 2.965 0 40 DFAB CC[C@H](NC[C@@H]1COc2ccccc2O1)c1c(C)nn(C)c1C 95419277 PQKZKEKOSMVYSG-CABCVRRESA-N 315.417 2.918 0 40 DFAB COc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 95466987 USBQUMFNFIOJEG-LSDHHAIUSA-N 306.406 2.956 0 40 DFAB CC(C)(C)c1ncc(CNc2ccc(OCCO)nc2)s1 95436146 YFDXINFXOAHSCL-UHFFFAOYSA-N 307.419 2.819 0 40 DFAB c1ccc(CCc2nc3nccc(-c4ccncc4)n3n2)cc1 95477645 KBRAEWOCEUTJQD-UHFFFAOYSA-N 301.353 2.972 0 40 DFAB COC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 95970897 HOUYQZTZRVBMFS-ONGXEEELSA-N 313.756 2.941 0 40 DFAB CCOc1nnc(CN(C)[C@@H]2CCc3ccccc3C2)s1 79311735 XUKUYQIGHFVXII-CQSZACIVSA-N 303.431 2.926 0 40 DFAB O=C(CN1CCOCC1)Nc1cc(Cl)c(Cl)cc1Cl 20428669 JOIFCZHBGJGTKL-UHFFFAOYSA-N 323.607 2.918 0 40 DFAB CCCCc1nc(C)c(C(=O)N2CCC3(CC2)OCCO3)s1 32924528 VKROKKWMFBLYOL-UHFFFAOYSA-N 324.446 2.773 0 40 DFAB Cc1ccccc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 32751547 MLEPWULLOHEUMZ-CQSZACIVSA-N 318.442 2.835 0 40 DFAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1 32929749 OXRCLEFDJVZWAW-CQSZACIVSA-N 317.410 2.653 0 40 DFAB Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCCCC1 30754517 WWPCVZINOZVHET-MRXNPFEDSA-N 304.434 2.755 0 40 DFAB Cc1c([C@H]2SCC(O)=Nc3c2c(O)nn3C(C)C)cnn1C 79502141 ZVILCPBSJHQTJO-GFCCVEGCSA-N 321.406 2.636 0 40 DFAB COC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(O)c2)c1 78402308 HRUNQRVWKVNNDX-UHFFFAOYSA-N 314.341 2.843 0 40 DFAB C[C@H](NC(=O)c1nnc2ccc(Cl)cc2n1)c1ccncc1 46088898 GJEQHRMTIYIWHA-VIFPVBQESA-N 313.748 2.564 0 40 DFAB CSc1nnc(NC(=O)COc2cc(C)ccc2C)s1 40988630 HBOFWRYLLNEDQN-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB C[C@@H]1CCN(C(=O)CNCC(F)(F)F)[C@H](c2ccco2)C1 75389773 YGOZAYWRIVMBRJ-MNOVXSKESA-N 304.312 2.731 0 40 DFAB C[C@H](N)[C@@H]1CCN(c2cncc(SCc3ccccc3)n2)C1 562833620 VAAZJEAPUOBWJX-DZGCQCFKSA-N 314.458 2.942 0 40 DFAB O=C(NCCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 225401685 KSXCKZRXGPYPLW-UHFFFAOYSA-N 315.344 2.960 0 40 DFAB COC(=O)[C@H](C)SCc1nc(Cc2ccccc2C)no1 80303162 BPHJTEVAZVFDRR-NSHDSACASA-N 306.387 2.764 0 40 DFAB CCn1cc(OCc2ccc(OCC(F)(F)F)nc2)cn1 225711069 GXAAMZDAXHDZGX-UHFFFAOYSA-N 301.268 2.818 0 40 DFAB CCOCCCNC(=O)CCc1nc(-c2ccccc2C)no1 225816604 MVHPIGYQRGTGPN-UHFFFAOYSA-N 317.389 2.520 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2cn(-c3ccccc3)cn2)n1 226754049 GFUUTXNNHMBHBU-UHFFFAOYSA-N 323.400 2.506 0 40 DFAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc1F 570396957 AWCJPNQHVAPENC-CYBMUJFWSA-N 322.380 2.751 0 40 DFAB Cc1cccc(S(=O)(=O)N[C@H](C)CN(C)c2ccccc2)c1 48313179 JUXOTRKYYOZBKX-OAHLLOKOSA-N 318.442 2.798 0 40 DFAB Cc1nc(C)c(CNC2(C(=O)NCC3CC3)CCCC2)s1 85936496 AKHINBFPXKWXCI-UHFFFAOYSA-N 307.463 2.689 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C 224313592 HTRSJZLKLSCFNB-ZDUSSCGKSA-N 308.397 2.725 0 40 DFAB Cc1ccc(N(C)CCNC(=S)Nc2ccncc2)cc1 225797010 VOCGDIYCWUHBGF-UHFFFAOYSA-N 300.431 2.813 0 40 DFAB CCN1CCC[C@@H](CNCc2c[nH]nc2-c2ccc(C)o2)C1 97160171 RFMDXJAJCBSRIP-AWEZNQCLSA-N 302.422 2.800 0 40 DFAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(N)c1Cl 95094719 KGIKMYOSQBBHCM-UHFFFAOYSA-N 300.145 2.938 0 40 DFAB CCc1nsc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1 96436464 AVWRGRGGKPGLFS-UHFFFAOYSA-N 312.439 2.548 0 40 DFAB O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCOC1 97372093 XRWVYZKMRJWNBQ-HQJQHLMTSA-N 309.234 2.721 0 40 DFAB CCN(CC)C(=O)C[C@H]1CC2(CCNCC2)Oc2ccccc21 140479127 WGRUWWXVXPRWKH-HNNXBMFYSA-N 316.445 2.933 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 94598202 AHZILNKIEATXJQ-SECBINFHSA-N 305.227 2.534 0 40 DFAB O=C(Cn1cc(Cl)cn1)N1CCC[C@H]1CCc1ccncc1 257330377 XOCRUWVIBOPYNW-HNNXBMFYSA-N 318.808 2.555 0 40 DFAB Cc1ncc2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n12 257214398 CLVKCFVEZZWTSO-MRXNPFEDSA-N 307.401 2.812 0 40 DFAB CC(=O)N1CCN(Cc2csc(C)n2)[C@H](c2ccccc2)C1 257300608 RVATUBXNIMYGBX-KRWDZBQOSA-N 315.442 2.857 0 40 DFAB COc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1 263075633 YRJKSTCARFDZQM-LLVKDONJSA-N 319.382 2.872 0 40 DFAB O=C(NCc1cccs1)NC[C@@H](c1ccco1)n1cccn1 575613690 KEABQBMGWIWGSM-ZDUSSCGKSA-N 316.386 2.626 0 40 DFAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 585102406 IKGCYRZZSDYGTG-INIZCTEOSA-N 320.408 2.541 0 40 DFAB CCCCN1CCC[C@@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099802 BQYCJVGQLVBOGB-FUHWJXTLSA-N 308.466 2.813 0 40 DFAB O=C(Cc1cccs1)N1CCC(c2nnc(C3CC3)o2)CC1 44099025 NZOGXNNGORTFBF-UHFFFAOYSA-N 317.414 2.957 0 40 DFAB O=C(NCc1cccnc1)N1CCC(Oc2ccccc2)CC1 55090340 BIBQUOGTLWTEQT-UHFFFAOYSA-N 311.385 2.835 0 40 DFAB CC(C)=CC(=O)NCc1cn2cc(Br)ccc2n1 48817123 XRVSIKFIOSECMT-UHFFFAOYSA-N 308.179 2.679 0 40 DFAB CN(C(=O)c1cc[nH]n1)C1CCN(c2ccc(Cl)cc2)CC1 69774478 LWJFLMBTQADSCJ-UHFFFAOYSA-N 318.808 2.804 0 40 DFAB C[C@@H]([C@@H](C)NCc1nnc(Cc2ccccc2)o1)n1cccn1 69948398 APBSLVCLHGJYOF-KGLIPLIRSA-N 311.389 2.596 0 40 DFAB O=C(Nc1cccnc1)N1CCO[C@H](c2cccc(F)c2)C1 67013958 VIWUNOXJOYEIKY-HNNXBMFYSA-N 301.321 2.826 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N1CCn2cccc2[C@H]1C 74535903 IYYBJRJKPYFEQP-CQSZACIVSA-N 315.421 2.627 0 40 DFAB C[C@H](CNC(=O)Cc1cccc(O)c1)COCc1ccccc1 84638339 ODWHWAPKFABEOP-OAHLLOKOSA-N 313.397 2.904 0 40 DFAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Cl)cn1 6053626 XMTUJTUFNRJWPW-RMKNXTFCSA-N 316.744 2.930 0 40 DFAB Cc1ccc(NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)cc1 14031612 SQISWXSPCCQSAD-ZDUSSCGKSA-N 315.398 2.536 0 40 DFAB Cc1cc(NC2CCN(c3ncnc4c3CCCC4)CC2)ncn1 585149478 WRWIEQDBSPVNKP-UHFFFAOYSA-N 324.432 2.535 0 40 DFAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)N(C)C 32611665 DHJVQKAXEZCIJE-UHFFFAOYSA-N 304.375 2.797 0 40 DFAB CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251792 NOSOLAHGRFKKLD-GFCCVEGCSA-N 318.446 2.517 0 40 DFAB CCc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)o1 24907636 OAVBQQCKMHBYPV-UHFFFAOYSA-N 307.371 2.806 0 40 DFAB O=C(NCc1ccccc1)N1CCN(CCc2ccccc2)CC1 28798447 YGNBVUSPEFZPLA-UHFFFAOYSA-N 323.440 2.757 0 40 DFAB Cc1csc(C(=O)NC[C@@]2(O)CSCc3ccccc32)c1 2087132271 IQZVRMHXFIOMFO-MRXNPFEDSA-N 319.451 2.921 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2c(C)nn(C)c2C)cc1C 192763891 WSKJEYPDFTYKIN-UHFFFAOYSA-N 321.402 2.836 0 40 DFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 65480 LEVARYGISKRWAM-CYBMUJFWSA-N 318.764 2.784 0 40 DFAB CC(C)(C)c1noc(CCC(=O)N2CCc3ccccc3C2)n1 31204978 JJGKOTAYNHYZCM-UHFFFAOYSA-N 313.401 2.885 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)s1 69901640 ATKNRBKZWYWEGF-CQSZACIVSA-N 303.431 2.968 0 40 DFAB COC(=O)c1ccc2ccn(CC(=O)NC3CCCCC3)c2c1 382790 KLKTULVSVLQGSB-UHFFFAOYSA-N 314.385 2.877 0 40 DFAB aggregator COc1ccccc1CN(C)S(=O)(=O)c1cccc(F)c1 21473544 LDYJNZCWJUUSBV-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cccs1 520771 NSSOCSRIQXYOLT-ZDUSSCGKSA-N 306.412 2.859 0 40 DFAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCn1ccnc1 20460001 QSBCHYHPJMJSOC-INIZCTEOSA-N 301.390 2.555 0 40 DFAB Cc1ccc(-n2ncc3c(NCCCN(C)C)ncnc32)cc1C 20661948 ODVLWEBSDBHPKM-UHFFFAOYSA-N 324.432 2.796 0 40 DFAB Cc1nnc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1C 89736094 NLQOIWDMRHRVNB-CABCVRRESA-N 318.421 2.585 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 101582788 LJADSSZQGFDLAW-PHIMTYICSA-N 304.415 2.892 0 40 DFAB O=C(N[C@H]1CCCc2occc21)N1CCC[C@@H]1CN1CCCC1 89885104 OQTCXXRFMPIYKU-ZBFHGGJFSA-N 317.433 2.927 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)NCc2nc(C)cs2)cc1 23247091 JNYSETWHQYLMFG-NSHDSACASA-N 306.387 2.544 0 40 DFAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)N1C[C@H]2CCCC[C@@H]2C1 110668205 BBMMYQGLGOLFAS-FPCVCCKLSA-N 302.422 2.808 0 40 DFAB CCOc1cc(C=O)ccc1OCC(=O)NCc1cccs1 3391045 FVBFPWUOMQDZMH-UHFFFAOYSA-N 319.382 2.655 0 40 DFAB O=C(Cc1ccc(Br)cc1)NCCc1ccccn1 12527635 UKZDCXKNJQYRHD-UHFFFAOYSA-N 319.202 2.746 0 40 DFAB Cc1ccsc1CNC(=O)NCc1ccc2c(c1)OCO2 26177237 VOFWGWMUFHJCPQ-UHFFFAOYSA-N 304.371 2.785 0 40 DFAB CCCC(O)(CCC)CC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 108125754 IUVYFKTUCODQHZ-YESZJQIVSA-N 322.493 2.651 0 40 DFAB CCc1noc([C@@H](C)N2CCN(c3ccccc3F)CC2)n1 44285438 DPZYRJLUBKTSNK-GFCCVEGCSA-N 304.369 2.654 0 40 DFAB COc1ccc2c(c1)CN(C(=O)Cc1ccccc1OC)CC2 57408026 NKVCGIVTAFWTEN-UHFFFAOYSA-N 311.381 2.831 0 40 DFAB CCN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccc(C)cc12 58157476 LDGBIERWNNPJRM-GOSISDBHSA-N 307.353 2.688 0 40 DFAB CCc1cc(NCc2cccc(CN(C)CC)c2)n2ncnc2n1 58161546 KYNMTVPVMDQKIS-UHFFFAOYSA-N 324.432 2.751 0 40 DFAB O=c1n(Cc2nc(-c3ccccc3)cs2)nc2ccccn12 58250082 JSDSYGCMXUZMBW-UHFFFAOYSA-N 308.366 2.668 0 40 DFAB CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 36196239 FTXXDKHYXYGSAX-UHFFFAOYSA-N 304.415 2.870 0 40 DFAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccncc1 44952044 UCEANDHACFKYIW-CYBMUJFWSA-N 311.389 2.960 0 40 DFAB O=C(CCCOc1ccc(Cl)cc1)NC1CCC(O)CC1 48165918 BMHNYPGRLRMGRJ-UHFFFAOYSA-N 311.809 2.919 0 40 DFAB O=C(NCCNc1ncnc2ccccc12)c1ccccc1F 58341329 NFKVUXPZPMZYBI-UHFFFAOYSA-N 310.332 2.611 0 40 DFAB O=C(Nc1ccccc1CN1CCOCC1)NC1CCCC1 48146895 QCJQQCJPUIRSPQ-UHFFFAOYSA-N 303.406 2.583 0 40 DFAB CC1(C)CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 58342496 JYAUBQSUKRCUEO-UHFFFAOYSA-N 323.336 2.505 0 40 DFAB Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c2ccccc2n1 3302084 ZXCBQYWHPLRTGN-UHFFFAOYSA-N 300.358 2.615 0 40 DFAB CCn1cc(NC(=O)c2cc(OC)ccc2Br)cn1 37987202 ZSANHHQYJDZGMH-UHFFFAOYSA-N 324.178 2.926 0 40 DFAB CCCCSCC(=O)Nc1cccc(N2CCNC2=O)c1 48340865 WLNATPUJTNIFBL-UHFFFAOYSA-N 307.419 2.688 0 40 DFAB NC(=O)CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 12805117 AAMNNULCVZVXEN-UHFFFAOYSA-N 322.286 2.838 0 40 DFAB O=P(O)(O)[C@H](NCCc1cccc(F)c1)c1ccsc1 13004732 PBHFJCLASNJAFR-ZDUSSCGKSA-N 315.306 2.896 0 40 DFAB C/N=c1\sc2ccccc2n1C[C@H](O)COc1ccccc1 13116173 JUXWZYZYZPAEDB-FKEVTRRJSA-N 314.410 2.673 0 40 DFAB CN/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccc(C)cc1 13116279 RMOHATNNBAPWPF-LJQANCHMSA-N 308.428 2.679 0 40 DFAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC(C)C)n1C 8268412 MGIYMYLQFDCZGL-GFCCVEGCSA-N 318.446 2.796 0 40 DFAB Cn1ncc2c(N3CCCCC3)nc(NCc3ccccc3)nc21 4375008 LKJOMQRHLPODBF-UHFFFAOYSA-N 322.416 2.966 0 40 DFAB Cc1cc(SCC(=O)NC(=O)NC(C)(C)C)nc(C(C)C)n1 14015894 GAUXANCSLKBUMO-UHFFFAOYSA-N 324.450 2.625 0 40 DFAB O=C(Nc1ccccn1)Nc1ccn(CCc2ccccn2)n1 65590088 ZQBFDQQSVYEZBB-UHFFFAOYSA-N 308.345 2.560 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)n1C 14168983 XLVITJZENSICRK-SECBINFHSA-N 324.837 2.574 0 40 DFAB CCO[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)c1ccccc1 65611350 KXRPQLQQMOSNMM-IRXDYDNUSA-N 313.401 2.824 0 40 DFAB Cc1ccccc1CCC(=O)N1CCC(Nc2cccnn2)CC1 69655420 OQIFZWFJTQTDJQ-UHFFFAOYSA-N 324.428 2.821 0 40 DFAB COc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)cc1 4993188 YSVVNHVLKJMYJX-GOSISDBHSA-N 324.380 2.728 0 40 DFAB CCc1nc([C@@H]2CCCN2CCc2ccc3c(c2)CCO3)no1 76047198 CRKYDUCECAWBAZ-HNNXBMFYSA-N 313.401 2.947 0 40 DFAB CCc1noc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)n1 69816093 TZKAUBYDOBUTDL-LBPRGKRZSA-N 321.352 2.941 0 40 DFAB CCN(C)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 69898639 DNYCJFYLQIYASY-GOSISDBHSA-N 315.461 2.843 0 40 DFAB CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1 69849353 USURHXNDSIEERL-BXUZGUMPSA-N 306.431 2.643 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c1 69879994 KRKLWQCEWZKITK-AWEZNQCLSA-N 323.458 2.838 0 40 DFAB COc1cccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1 9050695 PNXHHDKYNUKXFI-LLVKDONJSA-N 316.323 2.908 0 40 DFAB COc1ccc(-c2c(C)nn(CCC(N)=O)c2C)c2cccnc12 96147844 LCOVYPOCYNKQSL-UHFFFAOYSA-N 324.384 2.599 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2N(C)C)C1 71921552 XHBIMZRSGVMBSF-MRXNPFEDSA-N 317.477 2.737 0 40 DFAB CN(CCc1cccs1)C(=O)Nc1nc2c(s1)COCC2 96434984 FZXVHUHLGYZKEP-UHFFFAOYSA-N 323.443 2.984 0 40 DFAB CN(C(=O)CCn1cncn1)c1ccc(Oc2ccccn2)cc1 96406405 XWGRQSIHPUCBRJ-UHFFFAOYSA-N 323.356 2.519 0 40 DFAB Cc1cc(SCC(=O)Nc2cc(C)on2)nc(C(C)C)n1 9583464 QKLNXLBRNHEPDH-UHFFFAOYSA-N 306.391 2.936 0 40 DFAB Cc1cc(C(=O)NC2CCN(C)CC2)cc(C)c1OC(F)F 71886677 WLDPENPAYFELGM-UHFFFAOYSA-N 312.360 2.729 0 40 DFAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 71818782 OLNZEKAGMPQLGQ-ZDUSSCGKSA-N 316.405 2.992 0 40 DFAB O=S(=O)(Nc1ccccc1O)c1cccc2ncccc12 79047394 RTILMLWZOJVLOE-UHFFFAOYSA-N 300.339 2.741 0 40 DFAB COCc1ccc(C(=O)N(C)CCOc2ccc(OC)cc2)o1 96989264 WUFJYFBOZSIQKE-UHFFFAOYSA-N 319.357 2.586 0 40 DFAB O=c1ccn(Cc2cnn(-c3ccccc3)n2)c2ccccc12 72294836 VISDVLGPQACAES-UHFFFAOYSA-N 302.337 2.631 0 40 DFAB CCc1cc(NC[C@H](c2cccs2)N2CCOCC2)ncn1 72281892 HJAPCFKFKVFBLI-CQSZACIVSA-N 318.446 2.586 0 40 DFAB C[C@H](SCc1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O 72283115 FVFCZSMFOKENOQ-QMMMGPOBSA-N 322.411 2.646 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(O)cc1Cl 97059782 REQHCKCNQQPNND-SNVBAGLBSA-N 321.760 2.959 0 40 DFAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCCSC(C)(C)C 97049302 HKYKULWOITWHCS-STQMWFEESA-N 302.484 2.711 0 40 DFAB CC[C@H](NCc1nnc(C)s1)c1ccc2c(c1)OCCO2 97033141 QGFDETUVJSIXFC-LBPRGKRZSA-N 305.403 2.859 0 40 DFAB CNC(=O)Nc1ccc(NC(=O)c2cnn(CC(C)C)c2)cc1 97237909 MGXZOHFWXVHKOA-UHFFFAOYSA-N 315.377 2.543 0 40 DFAB CCc1nc([C@H](C)NCc2cc(=O)n3ccsc3n2)cs1 97374465 QHRACFRZZWJBBN-VIFPVBQESA-N 320.443 2.626 0 40 DFAB Cc1ccc(SCCNC(=O)c2cn(C)nc2C)cc1C 95396612 MGDUITJZZQFAMK-UHFFFAOYSA-N 303.431 2.867 0 40 DFAB O[C@H](CN1CCc2c(ncn2C2CC2)C1)c1ccc(F)cc1F 95373354 LXMJQCVXJCOSDA-QGZVFWFLSA-N 319.355 2.588 0 40 DFAB O=C(NCc1ncc[nH]1)c1ccc(C(=O)Nc2ccccc2)cc1 95442875 INMXLTHIGHJCCR-UHFFFAOYSA-N 320.352 2.592 0 40 DFAB Cc1nc2ccc(NC(=O)C3(O)CCSCC3)cc2s1 95450006 AZFHUSSJKNZHHE-UHFFFAOYSA-N 308.428 2.801 0 40 DFAB COc1ccc(-c2nnc(NC(=O)c3cscn3)s2)cc1 95447483 RCEPGXZKMGVKCF-UHFFFAOYSA-N 318.383 2.923 0 40 DFAB O=C(c1csc2ccccc12)N(CCO)Cc1cccnc1 95977777 BIZVLNNBCJGDPU-UHFFFAOYSA-N 312.394 2.931 0 40 DFAB CCc1nc(C[S@@](=O)Cc2cn3ccccc3n2)cs1 89289963 TUHDYUYTZDTNTR-HXUWFJFHSA-N 305.428 2.802 0 40 DFAB CCn1ccc2ccc(NC(=O)N[C@@](C)(CCO)COC)cc21 89309956 LBCNCMJSOVWGON-KRWDZBQOSA-N 319.405 2.570 0 40 DFAB Cc1ncsc1CNS(=O)(=O)C[C@@H](C)c1ccccc1 89565556 LWNNUMIAOMNNLZ-LLVKDONJSA-N 310.444 2.675 0 40 DFAB CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ncc[nH]3)c12 521394295 CQVJIXPEQMNIQF-NSHDSACASA-N 312.373 2.710 0 40 DFAB CN(CC1CC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72251306 RLZAYMJRKVAPAG-DOTOQJQBSA-N 318.392 2.604 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1ccc(F)cc1Cl 77659249 XYBRCXFOYXBJAO-VIFPVBQESA-N 306.790 2.715 0 40 DFAB CC(C)NC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 36569416 ASOMGODJEYJOFE-XMTFNYHQSA-N 317.477 2.999 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc2occc(=O)c2c1 71285094 LBVIEDLFUWHURI-UHFFFAOYSA-N 323.304 2.672 0 40 DFAB Cc1ccsc1[C@@H](O)CNC(=O)c1ccc2nsnc2c1 70635655 ZVXVQQXDWQFEEP-LBPRGKRZSA-N 319.411 2.525 0 40 DFAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378492 GCFDFJIUJYDQTH-OAHLLOKOSA-N 310.401 2.773 0 40 DFAB CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1F)c1ccccn1 77859090 YWJHMNWGZSQDFH-OAHLLOKOSA-N 315.348 2.673 0 40 DFAB Cn1nc([C@@H]2CCCN(Cc3cccs3)C2)c2nccnc21 72393838 RAIQRCGVPMGWME-GFCCVEGCSA-N 313.430 2.804 0 40 DFAB COc1ccc(COc2nc(C)c(Br)nc2N)cc1 2362797668 RVRYXCVJFSZABK-UHFFFAOYSA-N 324.178 2.717 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]2CC=CCC2)cc1 129450287 IVKLWLGLFIQPCD-GJZGRUSLSA-N 321.442 2.630 0 40 DFAB O=C(Cc1cccs1)NCc1nc(-c2cccs2)no1 36133248 GDPSCZKZVSHQIA-UHFFFAOYSA-N 305.384 2.719 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)Nc2nc(C)c(C)s2)n1 71195382 AHCJVPRUUDIFMU-UHFFFAOYSA-N 319.434 2.957 0 40 DFAB Cc1cccc(-c2cc(CNCc3ccco3)c3nnnn3c2)c1 72392682 ZCRKJBFWXSAVRF-UHFFFAOYSA-N 319.368 2.983 0 40 DFAB Cc1nccc(N2CCC[C@H]2c2ccnc(-c3ccccn3)n2)n1 72355883 WPSAYIJREXFXOM-INIZCTEOSA-N 318.384 2.979 0 40 DFAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc(F)cc2)c1 224003209 YKDQXDPIDCGRSX-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccccc1 226852758 CCABSJZTBDJYJF-HNNXBMFYSA-N 321.380 2.956 0 40 DFAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 573941480 SNINYLQXDJIAPC-RLFYNMQTSA-N 309.413 2.984 0 40 DFAB COc1ccc(N2N[C@@](C)(c3ccc(F)cc3)NC2=S)cc1 225346977 SJIQVGZFIXBJCC-INIZCTEOSA-N 317.389 2.906 0 40 DFAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cn1 225784729 XZJHZUFFGBPIQE-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 221251363 NUFHKZGSNPPTQP-NEPJUHHUSA-N 312.410 2.863 0 40 DFAB COc1ccc(NC(=O)c2cnc(C3CC3)nc2C)c(OC)c1 222565560 YCJZJXWMZIHKGP-UHFFFAOYSA-N 313.357 2.932 0 40 DFAB Fc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1 228924440 XKCVMUVWOCABBL-UHFFFAOYSA-N 312.352 2.634 0 40 DFAB COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCc3cnccc32)c1 191140134 BYRLUKYHPDSZEL-GDBMZVCRSA-N 324.380 2.792 0 40 DFAB CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccc(C)s2)C1=O 49021521 NKCSTIUCZIKRPL-UWVGGRQHSA-N 314.501 2.956 0 40 DFAB Cc1cccc([C@H](NC(=O)C[C@@H]2CNCCO2)C(C)(C)C)c1 195543641 VQODBJPPTSFOAA-WBVHZDCISA-N 304.434 2.577 0 40 DFAB C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1cccs1 96440654 HCIHFPXLEDSVEN-XHDPSFHLSA-N 308.403 2.652 0 40 DFAB Cc1ncc(C(=O)N[C@@H](C)c2cnn(C)c2)c(Cl)c1Cl 96486798 OCAKAWKWXNLHTD-ZETCQYMHSA-N 313.188 2.921 0 40 DFAB Cc1cnc(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)s1 96439235 YVDKFHRHYRDDNG-DGCLKSJQSA-N 311.451 2.846 0 40 DFAB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCS(C)(=O)=O 96447089 QKPDKYALGOPUSM-NEPJUHHUSA-N 303.855 2.808 0 40 DFAB O[C@@H](CN[C@H]1CCSC1)c1ccc(OC(F)(F)F)cc1 96476800 GGJGFLPHGOGQKL-JQWIXIFHSA-N 307.337 2.714 0 40 DFAB C[C@H](Nc1ccc2c(c1)CCO2)c1nnnn1-c1ccccc1 96436888 ANPKLXWDXVIPPZ-LBPRGKRZSA-N 307.357 2.770 0 40 DFAB CC(C)c1cc(CNC(=O)NC[C@@](C)(O)c2ccsc2)on1 96419931 AAJOBSFBYXGEAW-OAHLLOKOSA-N 323.418 2.566 0 40 DFAB NC(=O)[C@H]1CCCN1C(=O)CCCc1ccc2ccccc2c1 96492868 SSQFVRSLRIYGSS-QGZVFWFLSA-N 310.397 2.639 0 40 DFAB C[C@H]1C[C@H](NC(=O)NC[C@](C)(O)C2CCCCC2)C[C@@H](C)O1 249855193 FWOGYERNZHTXKI-YXPYIKCWSA-N 312.454 2.573 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1Cc1cccc(OCCO)c1 257261835 LIYQHNIFOBLGCW-QGZVFWFLSA-N 315.417 2.816 0 40 DFAB CCCc1ccc(C(=O)N2CCOC3(CCOCC3)C2)cc1 90608824 YDZSFJIXTPIVQV-UHFFFAOYSA-N 303.402 2.661 0 40 DFAB C[C@H](NC(=O)NCc1cnn(C)c1)c1ccc2c(c1)CCCC2 54809367 OKHICKLYKHUNQH-ZDUSSCGKSA-N 312.417 2.859 0 40 DFAB CCOCCOc1c(Cl)cccc1NC(=O)NCCOC 63397973 RUWYQPSGURUVII-UHFFFAOYSA-N 316.785 2.523 0 40 DFAB Cc1cc(CCC(=O)NC2CCC2)cc([C@@H]2CCCN2C)n1 72360565 ZALUMESIDJFMAB-KRWDZBQOSA-N 301.434 2.758 0 40 DFAB CCOC(=O)[C@@H](O[P@](C)(=O)OCC(C)C)C(F)(F)F 3157195 BREMCRZJQVWKEK-LILOVNGRSA-N 306.217 2.993 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1Cl 5251452 FRXOKAHIQFQTEO-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccncc2)C1 12089303 FQOMVDJJJCYJDS-OAHLLOKOSA-N 309.369 2.827 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1snc2c(O)ncnc12 13564134 PSBNJPAUUOTDSQ-UHFFFAOYSA-N 306.734 2.698 0 40 DFAB Cc1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)[nH]c(=O)c1C 19555387 GEFBZMOMAYNJQH-HNNXBMFYSA-N 315.392 2.905 0 40 DFAB CC(C)N1C(=O)S/C(=C\c2ccc(OCC(=O)O)cc2)C1=O 6256277 DPPMFCBMFWJBMJ-GHXNOFRVSA-N 321.354 2.595 0 40 DFAB CCn1ccnc1N1CCN(C(=O)CCC2CCCC2)CC1 13693614 BMSIIKQFQFEIFA-UHFFFAOYSA-N 304.438 2.522 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)s1 7313864 GYCUCDPFOQEVLV-MGPLVRAMSA-N 320.414 2.740 0 40 DFAB CS(=O)(=O)CC1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 130132168 JYZQPKJPINMUHE-GHMZBOCLSA-N 313.385 2.522 0 40 DFAB COc1ccc(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1 244986117 JGSCZXYLFQLBAY-SFHVURJKSA-N 324.380 2.650 0 40 DFAB CC1CCC(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)CC1 1614927213 ADLFYODZFDKYOK-OFLPRAFFSA-N 322.493 2.915 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3F)C[C@H]2C1 2087018055 OWYWLMVGKBWEBO-RYUDHWBXSA-N 307.369 2.524 0 40 DFAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC(F)(F)CC1 2298183865 CQMRHHPBSHKMFV-ZDUSSCGKSA-N 309.360 2.556 0 40 DFAB Cc1cc2c(cc1/C=C1/NC(=O)N(c3ccccc3)C1=O)OCO2 199325 YTJBHAISHXJUOY-RIYZIHGNSA-N 322.320 2.821 0 40 DFAB COC(=O)c1ccc([C@@H](C)N2CC[C@H](Oc3ccncc3)C2)o1 91595322 IUSHTVIASZGRSU-OCCSQVGLSA-N 316.357 2.676 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)NCc2cccs2)c(OC)c1 28795717 PIHHQZFQDXFBNF-NSHDSACASA-N 320.414 2.882 0 40 DFAB CC(C)CN(CC(C)C)C(=O)COc1ccc2c(c1)OCO2 59323790 OEPUXVOURKTOPL-UHFFFAOYSA-N 307.390 2.935 0 40 DFAB N[C@H](CCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608379 JITNRAXEOGIKMS-QZTJIDSGSA-N 324.424 2.967 0 40 DFAB CC(=O)c1ccc(OCC(=O)N(C)c2nc(C)cs2)cc1 40548931 UMOFIRMENDLQGW-UHFFFAOYSA-N 304.371 2.696 0 40 DFAB CCNC(=O)CSc1nnc(Nc2ccccc2F)s1 3579962 KOUJTEPEPVYDIO-UHFFFAOYSA-N 312.395 2.649 0 40 DFAB Clc1ccc(-n2nnnc2CN2CCCCC2)cc1Cl 4129618 MSZHJMWLOVWRKS-UHFFFAOYSA-N 312.204 2.955 0 40 DFAB Cc1cc(C)c([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C 4299289 YAXOYXIPUZHQDL-UONOGXRCSA-N 323.389 2.623 0 40 DFAB O=C(Nc1ccn(CCc2ccccn2)n1)c1ccccc1F 51418152 NWFMVICUGVRHON-UHFFFAOYSA-N 310.332 2.912 0 40 DFAB CC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 4994374 KMVJBESLNMZCAQ-UGCZWRCOSA-N 302.414 2.970 0 40 DFAB COc1ccc(CCNC[C@@H](O)c2ccccc2)cc1OC 32186118 ZZTAKCGSXKWHAD-MRXNPFEDSA-N 301.386 2.570 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@H]2CC=CCC2)CC1 317043 SSEIPQBMERMLDJ-HNNXBMFYSA-N 302.393 2.940 0 40 DFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCCCC1 32794972 BHHCSGPVOCFRMN-MRXNPFEDSA-N 312.413 2.541 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c2n1 101639403 XYRPFHDEFRNJCD-GBJTYRQASA-N 312.417 2.901 0 40 DFAB O=C(NC1CCCC1)c1nc(Cc2c[nH]c3ccccc23)no1 12391618 ZNKLQWSHODTTKC-UHFFFAOYSA-N 310.357 2.814 0 40 DFAB Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C 89702025 BKOSGRPAOLMGDJ-ZDUSSCGKSA-N 323.462 2.597 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCN(c2nccs2)CC1 22699673 KVICISYZAPJKFR-UHFFFAOYSA-N 320.418 2.525 0 40 DFAB O=C(Nc1cc(F)ccc1F)N1CCN(c2nccs2)CC1 43236064 UEJZFVKXMWPQSU-UHFFFAOYSA-N 324.356 2.775 0 40 DFAB COc1ccccc1[C@H](C)N(C)CC(=O)Nc1nccs1 26334839 INZLPBLSGOYPGT-NSHDSACASA-N 305.403 2.783 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C 44180084 WXKSLQKNGKQEJV-JSGCOSHPSA-N 303.406 2.675 0 40 DFAB CCSc1ccc(NC(=O)C(=O)N2CCCCCC2)cn1 57668832 RGOPHCPJMUUZCN-UHFFFAOYSA-N 307.419 2.535 0 40 DFAB COC(=O)Nc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 58217839 UWHSGGNUMDOMKI-ZDUSSCGKSA-N 307.350 2.556 0 40 DFAB NC(=O)CCSc1nnc(Nc2ccccc2Cl)s1 10664600 ZICVRDJWDLVTMB-UHFFFAOYSA-N 314.823 2.903 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 12747566 DHDTXGNNFTUALF-SNVBAGLBSA-N 314.316 2.648 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCC(=O)O)c1 8215285 PDISVTPHHNSUMY-LBPRGKRZSA-N 315.325 2.556 0 40 DFAB C[C@H]1CN(Cc2ccccc2CNC(=O)C2CCC2)C[C@@H](C)O1 48313422 MPGRCWMXCFRPSG-GASCZTMLSA-N 316.445 2.712 0 40 DFAB CCn1nc(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c1C 27982905 QNZGRSIAGBPVHI-UHFFFAOYSA-N 301.346 2.543 0 40 DFAB CC(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3453991 DKGKHHHGEKPLQP-UHFFFAOYSA-N 308.687 2.824 0 40 DFAB CCCCC[C@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 3528520 OCHAXGJVNBUFBU-LBPRGKRZSA-N 301.390 2.632 0 40 DFAB CC[C@@H](NC(=O)CCN1CCSC1=O)c1ccc(OC)cc1 13010894 ORQXHELGCUWDKM-CQSZACIVSA-N 322.430 2.821 0 40 DFAB CS(=O)(=O)c1ccc(-c2csc(N3CCCC3)n2)cc1 8390956 MGLMNETVDCUBJO-UHFFFAOYSA-N 308.428 2.814 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1 4121561 AZRNQDIILGWASE-UHFFFAOYSA-N 300.289 2.762 0 40 DFAB Cc1ccsc1CN(C)CC(=O)NCc1ccc(F)cc1 8309904 XIUYVWSYSZEIST-UHFFFAOYSA-N 306.406 2.944 0 40 DFAB C[C@H](NC(=S)NCCN(C)C)C12CC3CC(CC(C3)C1)C2 6596497 JBAIVYMCSBWYJR-ORVZXPRGSA-N 309.523 2.617 0 40 DFAB C[C@@H](c1ccc(F)c(F)c1)N1CCN(Cc2nccn2C)CC1 69535571 CNZSLPPOESBZDP-ZDUSSCGKSA-N 320.387 2.577 0 40 DFAB O=C(/C=C/c1ccco1)NCCc1nc2c(s1)CCCC2 69588586 DHNXGMULWWWDEQ-BQYQJAHWSA-N 302.399 2.987 0 40 DFAB Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 91759522 BVSLACCQPJSEDI-RISCZKNCSA-N 322.311 2.518 0 40 DFAB Cc1cc(C)n(C2CN(Cc3nnc(-c4ccccc4)o3)C2)n1 69700025 HWZIXOYQVPYFPB-UHFFFAOYSA-N 309.373 2.607 0 40 DFAB COCCNc1nc(-c2ccc(CNC(C)=O)s2)cs1 7273947 OPWQPFPTHXSTNJ-UHFFFAOYSA-N 311.432 2.566 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)COC3)c(C)c1O 68075826 HMVNADSCQCNVSU-UHFFFAOYSA-N 319.382 2.840 0 40 DFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)c(F)c1 8776425 DFEZHLOQUHIAAS-SECBINFHSA-N 322.336 2.765 0 40 DFAB CS(=O)(=O)c1ccc2nc(NCc3ccccn3)sc2c1 62716561 UCEDWMSIHTWATC-UHFFFAOYSA-N 319.411 2.707 0 40 DFAB CN(CC(=O)N1CCC[C@H]1c1ccccn1)Cc1ccccc1 68435521 ZEVMENDMDZRYBU-SFHVURJKSA-N 309.413 2.877 0 40 DFAB CN(C)c1ccc(NC(=O)[C@@H]2CSc3ccccc3O2)nc1 83854387 UNYNCWLOSCPMSJ-ZDUSSCGKSA-N 315.398 2.639 0 40 DFAB CN(C(=O)[C@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1OC(F)F 71283296 YXHIKZSSDNCMID-GHMZBOCLSA-N 313.300 2.608 0 40 DFAB CCc1nc(CNc2ccccc2CC(=O)N(C)C)cs1 83830348 YZTAIJKHVLPRER-UHFFFAOYSA-N 303.431 2.948 0 40 DFAB Cc1cc(NC(=O)COC(=O)C2(c3ccccc3)CCC2)no1 9112594 CPVZOHVEMJKYCD-UHFFFAOYSA-N 314.341 2.587 0 40 DFAB CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(F)c1F 9113802 GMRYWZQTXTWUCS-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)NCc1ccon1 83197796 PYZTUPUMXAZFNV-ZDUSSCGKSA-N 303.362 2.558 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 9390249 XQMAXGGFBZKKRX-AWEZNQCLSA-N 311.337 2.663 0 40 DFAB CC(C)C[C@@](C)(NC(=O)c1cccc(-c2ccoc2)c1)C(N)=O 89808686 DYYNMUXHSVCVFI-GOSISDBHSA-N 314.385 2.967 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)CCCn1cccn1 71904509 KVDOBERDVBGTSF-UHFFFAOYSA-N 309.373 2.796 0 40 DFAB Cc1[nH]cnc1-c1nccn1C[C@@H]1Cc2ccccc2CN1C 71736434 FFJMVTLRISBASV-INIZCTEOSA-N 307.401 2.638 0 40 DFAB CC(C)=CCSc1ccccc1C(=O)NCC(C)(C)C(N)=O 96420682 ZOGHRIRYCVSHGQ-UHFFFAOYSA-N 320.458 2.986 0 40 DFAB COc1ccc(NC(=O)C[C@@H]2CCCO2)cc1Br 71900016 WGHBIPQZJHUUKC-JTQLQIEISA-N 314.179 2.965 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 76022422 NPLAYMCVKTXJCK-BMFZPTHFSA-N 306.406 2.544 0 40 DFAB O=C(c1ccccc1Cn1cncn1)N1CC[C@@H](c2ccco2)C1 95403544 BTCXTHXVIAWFQA-OAHLLOKOSA-N 322.368 2.549 0 40 DFAB COC(=O)N1CC[C@H](N[C@H](C)c2cc3cccc(OC)c3o2)C1 95988075 PCNPBLYRKJDZAU-YPMHNXCESA-N 318.373 2.933 0 40 DFAB COc1ncc(Cl)c(NCCCc2nc(C(C)C)no2)n1 95966337 TYJZXSPMLYYFJA-UHFFFAOYSA-N 311.773 2.690 0 40 DFAB C[C@H](CN[C@H](C)c1ccc(F)c(Cl)c1)CS(C)(=O)=O 95984597 IGJKJJFXTKBLRO-NXEZZACHSA-N 307.818 2.810 0 40 DFAB CN(C)c1cccc([C@H]2CCCN2c2cc(C(N)=O)ccn2)c1 95964184 MIHBKCODUSKYBD-MRXNPFEDSA-N 310.401 2.588 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N2CCC(C)(CO)CC2)c1 95941484 RZSNBUNMJVSYGO-UHFFFAOYSA-N 319.449 2.811 0 40 DFAB C[C@@H](NC(=O)N[C@@]1(C)CCOC1)c1nc2cc(Cl)ccc2[nH]1 95975370 XGKHKGCDIKJILU-PSLIRLAXSA-N 322.796 2.756 0 40 DFAB CN(C)CCOCCNC(=O)Nc1cccc2ccccc12 95996733 YWAJXERRGVIUTD-UHFFFAOYSA-N 301.390 2.540 0 40 DFAB O[C@@H]1CCCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)C1 72396580 RBZBBENUSLNCPX-GFCCVEGCSA-N 311.341 2.958 0 40 DFAB CCOC(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1 79588057 KGNHXOCXCFDOSK-UHFFFAOYSA-N 313.353 2.804 0 40 DFAB O=C(Nc1cccnc1N1CCC(CO)CC1)[C@H]1CC=CCC1 79358677 IQMYIUDBMOHYJG-HNNXBMFYSA-N 315.417 2.585 0 40 DFAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccn1 74825450 FFALFNQBJWRDAO-NSHDSACASA-N 310.806 2.916 0 40 DFAB COc1ccccc1CN(C)C(=O)c1c(OC)cccc1OC 30859028 WDQLGVLIIBRIDB-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB COC(=O)c1c(CCc2cc(O)cc(O)c2)cccc1OC 35973532 DHYWRGHADKZQRQ-UHFFFAOYSA-N 302.326 2.678 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)NC[C@@](C)(O)CCC(C)C)c1 75125725 KZSVHEXQBDPWCK-KRWDZBQOSA-N 324.396 2.701 0 40 DFAB COc1ccc(N[C@H](C)c2ccccc2)cc1OCC(N)=O 76316781 JJLUEOFWXCFQEE-GFCCVEGCSA-N 300.358 2.732 0 40 DFAB COc1ccc2nc(I)c(C=O)cc2c1 79124172 AXEFHNZOHBXBNB-UHFFFAOYSA-N 313.094 2.661 0 40 DFAB C[C@@](O)(CNc1ncc(Br)cn1)c1ccsc1 77236463 XDLUWEHCNPRILD-LLVKDONJSA-N 314.208 2.620 0 40 DFAB O=C(NCc1cccnc1)c1snnc1-c1ccc(F)cc1 225777656 KQVKWFYOPRMCAL-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB O=C(O)Cc1cc(N2CCCC2)nc(-c2ccc(F)cc2)n1 225010964 UHBYBOLGPJSGCX-UHFFFAOYSA-N 301.321 2.510 0 40 DFAB O=C(NCc1cnn2ccccc12)c1ccc(Br)o1 75162790 PXBMJBKBIIYKFK-UHFFFAOYSA-N 320.146 2.620 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)cnn1C 89338163 HDCMWZDTOFCBMD-HZPDHXFCSA-N 307.438 2.832 0 40 DFAB CC(C)c1ccc([C@H](C)CC(=O)N2CCCS2(=O)=O)cc1 96416151 GVEXVXVQUZAESC-CYBMUJFWSA-N 309.431 2.866 0 40 DFAB Cc1c(C(=O)N2CCOc3ccncc32)cnn1-c1ccccc1 96456038 BEUWWMWYKCVPPG-UHFFFAOYSA-N 320.352 2.615 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)/C=C/c2ccsc2)c(C)o1 96444505 RVACKADWCBIDGA-DWTRPJMMSA-N 305.399 2.995 0 40 DFAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3ccc(C)s3)C2)n1 96057622 JHOWWPNNWUGECB-NWANDNLSSA-N 319.430 2.895 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccco1 96424037 AZHPLQZUWJHSDS-NWDGAFQWSA-N 308.378 2.703 0 40 DFAB Cc1csc(CCCNC(=O)N2CCS[C@@H](C)[C@@H]2C)n1 96411437 AVUOIALXKHWIRN-RYUDHWBXSA-N 313.492 2.920 0 40 DFAB CCN(C)c1ccccc1NC(=O)NC[C@](C)(O)c1ccco1 96434908 CDSYZFVMHZQEBM-KRWDZBQOSA-N 317.389 2.765 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccccn3)CC2)N1 96061421 SCKQINPSHTXKKG-GOSISDBHSA-N 321.424 2.720 0 40 DFAB O=C(c1ccco1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 96053880 MXGVQKXKPDNNAF-GJZGRUSLSA-N 314.360 2.623 0 40 DFAB COc1ccccc1[C@@H](NCc1ncnn1C)C1CCCC1 91349789 RNDKHDWCKHOSHN-KRWDZBQOSA-N 300.406 2.845 0 40 DFAB CC(=O)NCc1cc([C@H]2CCCN2Cc2ccc(C)nc2)ccn1 257334378 YFQHNULNIMGQLB-LJQANCHMSA-N 324.428 2.758 0 40 DFAB CN(C)c1cccc(CC[C@@H]2CCCCN2c2ncccn2)n1 257282981 OWDFPEQMCWGWMT-INIZCTEOSA-N 311.433 2.929 0 40 DFAB Cc1csc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c1 253394234 AMHQUUATIFEOKR-JOCQHMNTSA-N 317.414 2.967 0 40 DFAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 575404602 SMOKELTVJIWSAN-HNNXBMFYSA-N 318.417 2.658 0 40 DFAB COCC[C@@H]1CCOC12CCN(Cc1cnn(C(C)C)c1)CC2 585105525 YVZFKFXLZGCPGN-QGZVFWFLSA-N 321.465 2.872 0 40 DFAB COC[C@@H]1CN(C)CC12CCN(Cc1ccc(F)cc1)CC2 585104257 XLGAYQSJRYXWMR-INIZCTEOSA-N 306.425 2.616 0 40 DFAB Cn1nccc1-c1csc(N[C@@H]2CCOc3ccccc32)n1 585090638 GXNCFGDBIAMVKO-GFCCVEGCSA-N 312.398 3.479 0 40 DFAB O=C(Nc1cnn(CCF)c1)Nc1cc2c(cn1)CCCC2 861137041 KUJKAIFUUYBEHN-UHFFFAOYSA-N 303.341 2.770 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2n1 69490032 CIXNJRMQMSJXKM-LSDHHAIUSA-N 313.401 2.835 0 40 DFAB Cc1cc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)on1 69493943 XDMZFDWVKAZPBT-UHFFFAOYSA-N 304.256 2.904 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Cl)cc2Cl)C1 62912648 BKFNKTHKXDRSQC-CYBMUJFWSA-N 302.157 2.930 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)sc1C)CC2 95400674 KPILRWCUVRWBQO-LSDHHAIUSA-N 323.458 2.757 0 40 DFAB CCOC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 12229996 QWRYWCPHCDITAX-UHFFFAOYSA-N 309.366 2.714 0 40 DFAB O=C1CCCN1c1cccc(NS(=O)(=O)C2CCCCC2)c1 5329507 KXPLYCPJRGPVPC-UHFFFAOYSA-N 322.430 2.888 0 40 DFAB CCNC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 8687133 NYQPMGVVGGIODA-MQVJKMGUSA-N 303.475 2.666 0 40 DFAB Cc1ccc(C)c(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)c1 1888850253 CGWYKBXOOGXBAI-GOSISDBHSA-N 316.445 2.517 0 40 DFAB c1ccc2oc([C@@H]3CCCN(Cc4nnc5n4CCC5)C3)nc2c1 1888901131 XTHHWIVCZHYNCG-CYBMUJFWSA-N 323.400 2.745 0 40 DFAB CN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccccn2)C1 1889119389 INHTXANTUAPNIF-UHFFFAOYSA-N 308.307 2.820 0 40 DFAB Fc1ccc2ncnc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)c2c1 1889128215 BLUCQRBYCGZSSH-STQMWFEESA-N 312.392 2.689 0 40 DFAB CC1CC(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)C1 1565544811 SCHJJRGRHQFCTE-UHFFFAOYSA-N 318.461 2.674 0 40 DFAB Cc1cc(C)cc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)c1 20488912 ZGDWWMLYVCGDDH-UHFFFAOYSA-N 324.355 2.803 0 40 DFAB CC(C)(C)OC(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775970445 NAMFIBQWYOVRQD-UHFFFAOYSA-N 319.405 2.693 0 40 DFAB CCCc1ccc(C(=O)N[C@H](Cn2ccnn2)C(C)C)cc1 575614968 AUYNUKMJPCKDOM-MRXNPFEDSA-N 300.406 2.685 0 40 DFAB O=C(NCC[C@H](O)c1cccs1)Nc1ccc2c(c1)OCO2 77116034 APKBIJSGHTVAGI-NSHDSACASA-N 320.370 2.722 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3nc(C)cs3)CC2)o1 30701090 BWDYWFCDCWUVCZ-UHFFFAOYSA-N 305.403 2.569 0 40 DFAB O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 20279585 JBIVMXPBFIOKJC-UHFFFAOYSA-N 304.296 2.723 0 40 DFAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(F)cc1 31098291 KLNDEWHSSFWKAE-AWEZNQCLSA-N 304.321 2.689 0 40 DFAB CC(C)OCCCNC(=O)NCCc1c[nH]c2ccccc12 40498127 VIFGCQILBMYYNS-UHFFFAOYSA-N 303.406 2.825 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1cccs1 40497551 PDMSUQKOERDJKF-CHWSQXEVSA-N 316.430 2.632 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 2583088 VVTAJUCNHDSAJU-CYBMUJFWSA-N 322.336 2.827 0 40 DFAB Cc1nc(C)c(NC(=O)c2cnc3c(c2)c(C)nn3C)s1 75107238 IURTVKQKCQGDCA-UHFFFAOYSA-N 301.375 2.602 0 40 DFAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(Cl)c1 3537722 ZYIKKSGZRZQCAJ-UHFFFAOYSA-N 320.757 2.766 0 40 DFAB COc1ccc(C(=O)OCC(=O)N(C)c2cccc(C)c2)cc1 51356647 SFNADOVMHXFCQU-UHFFFAOYSA-N 313.353 2.823 0 40 DFAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(C)=O)cc1 6262319 JYZNBRPJAXALDY-FGTMMUONSA-N 303.402 2.910 0 40 DFAB biogenic O=C1CCCc2[nH]c(=O)c(C(=O)NC3CCCCCCC3)cc21 29569011 BDOHFBFZJJGMRP-UHFFFAOYSA-N 316.401 2.737 0 40 DFAB COc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)cc1 7053435 ZTXBMVHEFCOLGP-UHFFFAOYSA-N 305.355 2.699 0 40 DFAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCCCCCC1 7486707 BIERGZNJXKRSSD-AWEZNQCLSA-N 309.454 2.800 0 40 DFAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 7928703 WECOEEARHAAGCO-CYBMUJFWSA-N 311.337 2.654 0 40 DFAB COc1ccc(CNC(=O)c2cnn(-c3ccccn3)c2C)cc1 32815829 BJNCQWJTQBEZGJ-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB O=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCCC1 46518342 KAYOJUJVKNTQCG-AWEZNQCLSA-N 321.446 2.607 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)c1ccc(F)cc1 32900828 MEBCMUBZSKCFMY-INIZCTEOSA-N 317.360 2.762 0 40 DFAB Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cn3ccnc3)cc2c1 52749795 ILXYMJOYOSNSPI-CYBMUJFWSA-N 308.385 2.867 0 40 DFAB Cc1cnn(CCNCc2nc(-c3ccccc3Cl)no2)c1 70018279 DJHCNGLVZAZKLD-UHFFFAOYSA-N 317.780 2.685 0 40 DFAB CCc1cc(O)n2nc(C)c(-c3ccc(OC)c(OC)c3)c2n1 102806342 GQSBXZZWQAMJNS-UHFFFAOYSA-N 313.357 2.990 0 40 DFAB CCCN1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 53408756 XQVQBHLKXNDLDQ-CQSZACIVSA-N 320.481 2.662 0 40 DFAB C[C@]1(c2cccs2)NC(=O)N(Cc2ccccc2F)C1=O 53863069 OMWXCRHQEPCBTO-OAHLLOKOSA-N 304.346 2.854 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 3076649 IMGLCZZPWOJMLB-UHFFFAOYSA-N 309.277 2.744 0 40 DFAB in-vivo CN(C)C(=O)c1ccc(CNC(=O)NC2CCCCCC2)cc1 47639797 YIQUCPGOTCBCEN-UHFFFAOYSA-N 317.433 2.910 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 23674445 QMCRBPHQTBERBV-UHFFFAOYSA-N 308.381 2.658 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCN1CCCCCC1=O 105703087 XHYVGCNWSRTPGC-JYJNAYRXSA-N 306.450 2.722 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](C(C)C)N(C)C 106763088 JPNHBXSTKDXAHI-HRCADAONSA-N 304.434 2.501 0 40 DFAB O=C(c1cnsn1)N1CCC[C@H](c2nc3ccccc3o2)C1 47830929 HPMQTEWJISVJHI-JTQLQIEISA-N 314.370 2.699 0 40 DFAB CCc1noc([C@@H](C)N2CCN(Cc3cccs3)CC2)n1 44341818 LCHQIXPAGSHBQB-GFCCVEGCSA-N 306.435 2.572 0 40 DFAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1 10082701 TZUASAFJJGOISH-GFCCVEGCSA-N 307.825 2.970 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cnccn1 3395877 ZPOPBOPODDFLFL-UHFFFAOYSA-N 313.357 2.570 0 40 DFAB CCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2132426 JAMUAKBPEKPDLM-MFKMUULPSA-N 307.346 2.850 0 40 DFAB biogenic CN(Cc1ccsc1)C(=O)c1cccc(N2CCNC2=O)c1 44946262 LBAWKNGEIJHKCS-UHFFFAOYSA-N 315.398 2.550 0 40 DFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccccc1F 12757130 SUYCSRYNEVXOKX-ZDUSSCGKSA-N 324.355 2.957 0 40 DFAB COc1ccc(OCc2noc(COc3ccccn3)n2)cc1 48229787 WGXMIHIUFHMBQI-UHFFFAOYSA-N 313.313 2.631 0 40 DFAB Cc1cccc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1O 3521336 RGAZNLCOLGBTMM-CYBMUJFWSA-N 313.353 2.909 0 40 DFAB COc1ccc([C@@H](CO)NC(=O)Nc2ccc(F)cc2F)cc1 69530255 VBUMIBBQUMUWEV-OAHLLOKOSA-N 322.311 2.829 0 40 DFAB CC(C)Oc1ccc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)cc1 49230190 JFDUHVSAPCRLMP-SWLSCSKDSA-N 304.390 2.575 0 40 DFAB CCOc1ccccc1C[S@](=O)[C@H](C)C(=O)NC1CCCC1 69705706 GHTARARHWXACRR-MCMMXHMISA-N 323.458 2.781 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCc2cccc(F)c21 69893025 SLNGGIWPIYJUBM-JSGCOSHPSA-N 307.365 2.689 0 40 DFAB CN1CCC(N(C)C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 49993296 JFIJHOZLWRLRFP-HOTGVXAUSA-N 306.837 2.996 0 40 DFAB COCCN(CCOC)C(=O)c1cc2c(s1)CC[C@H](C)C2 39975846 GSBFZIOZVJDAPX-LBPRGKRZSA-N 311.447 2.608 0 40 DFAB Ic1cccc(OC[C@H]2CCCNC2)c1 14631206 RMPZGQKCHRPNRB-JTQLQIEISA-N 317.170 2.670 0 40 DFAB CC1CCC(N2C[C@@H](C(=O)OC[C@H]3CCCCO3)CC2=O)CC1 66752884 AJFVCOQHISIUTI-BHDPWAOGSA-N 323.433 2.526 0 40 DFAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(S)nnc21 5969341 ZKCTUIANCOFGOX-UHFFFAOYSA-N 316.777 2.714 0 40 DFAB O=C(COC(=O)c1cc(F)cc(F)c1)NCc1ccc(F)cc1 7031888 VQBQJVMAZJSARB-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB O=C(/C=C/c1ccccc1)NCC(=O)NC1CCCCCC1 8085267 UTIMZNMLKIBSFS-OUKQBFOZSA-N 300.402 2.655 0 40 DFAB COC(=O)[C@H](Sc1ncn[nH]1)c1ccccc1C(F)(F)F 96008283 KXTFNLPGGHGJHA-SECBINFHSA-N 317.292 2.830 0 40 DFAB CN(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccsc1 22766937 OUKRPBGKDPQFEK-HNNXBMFYSA-N 321.421 2.989 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(OC)cc1 89948932 JCVOWRVHALFABM-MAUKXSAKSA-N 316.445 2.822 0 40 DFAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCCC1 71886079 BJUBHFZUOHRMGN-UHFFFAOYSA-N 306.366 2.896 0 40 DFAB COc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)nn1 78060701 SDZJHEACBHTAOX-UHFFFAOYSA-N 321.789 2.891 0 40 DFAB O=C(Nc1cc(Cl)ccc1O)c1cccc(-n2ccnc2)n1 97046085 JRURMZVCCPMYAG-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB O=C(OCCN1CCCCCC1=O)c1cccc2ncccc12 97034288 GLRMMIYBDPPDDS-UHFFFAOYSA-N 312.369 2.794 0 40 DFAB Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cc(N(C)C)ccn1 97104068 SDEPDXKMZDRUMQ-ZDUSSCGKSA-N 311.385 2.884 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 95399385 CPKDTAWGWPHICK-OAHLLOKOSA-N 320.389 2.982 0 40 DFAB c1csc(-c2nc(CSCCN3CCOCC3)co2)c1 95446240 RVSQKDYBOZSDRH-UHFFFAOYSA-N 310.444 2.969 0 40 DFAB O=C(OCCCn1cccn1)[C@H]1C[C@]12CCOc1ccccc12 95404962 VSTNYEBKJZNWLA-QAPCUYQASA-N 312.369 2.557 0 40 DFAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(C)Cc1cscn1 79334796 DIDCIKNUQRGOCB-GFCCVEGCSA-N 323.462 2.577 0 40 DFAB Cc1cnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)o1 95984668 SSALJTGGNAITFH-LBPRGKRZSA-N 301.346 2.790 0 40 DFAB O=C(C1CCN(C(=O)[C@@H]2CCCS2)CC1)N1CCCCCC1 95962327 RYXCRGCRJMCLCW-HNNXBMFYSA-N 324.490 2.523 0 40 DFAB Cc1nc(CNC(=O)N[C@H]2CC(C)(C)OC2(C)C)sc1C 95995074 MVQPOJKTOWMLDF-NSHDSACASA-N 311.451 2.905 0 40 DFAB C[C@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)[C@@H]1CCOC1 95991053 PGDUYXKRWROIEW-GXSJLCMTSA-N 316.323 2.670 0 40 DFAB COC(=O)Nc1cc(NCc2cn3cccnc3n2)ccc1F 95966777 ZVLMVLQSXMDUEN-UHFFFAOYSA-N 315.308 2.659 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2ccc3cc[nH]c3c2)cc1 95977012 OFQIKAQWBILDBB-UHFFFAOYSA-N 308.337 2.789 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1 69664080 QUXWGBOFXLZBBY-GJZGRUSLSA-N 303.358 2.759 0 40 DFAB Cc1csc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1 65473257 WOHMAEXIPMZKHQ-AWEZNQCLSA-N 312.398 2.973 0 40 DFAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1F 30322487 RPYYCWSZBIXPHP-LBPRGKRZSA-N 323.389 2.916 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C 72210458 COPNRBGCMYZHMV-DTDBQYNISA-N 310.482 2.804 0 40 DFAB CC(C)C[C@H](NCc1cccc(Oc2ncccn2)c1)C(=O)O 72238800 YHAOKTAPLKRTKT-HNNXBMFYSA-N 315.373 2.858 0 40 DFAB CCN1CCN(c2ncc([C@H](O)c3ccccc3)cc2C)CC1 72222589 ALCAWAWUIZYHMP-GOSISDBHSA-N 311.429 2.614 0 40 DFAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCCC1 227152432 VZVFBSPAYAOKTB-LBPRGKRZSA-N 319.792 2.915 0 40 DFAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1 42645710 ADFIZIPZVYFOAI-UHFFFAOYSA-N 306.724 2.734 0 40 DFAB Cn1cc(CCC(=O)NCc2ccccc2OC(C)(C)C)cn1 81339360 STFBTLSMDJPWCX-UHFFFAOYSA-N 315.417 2.846 0 40 DFAB CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225517008 GNSDGVDCVBEOOR-PTNGSMBKSA-N 314.410 2.964 0 40 DFAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1 45476725 IMUSZYGIQRELCO-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB CCn1nc(C)cc1CNC(=O)c1cc(OC)c2ccoc2c1 226745533 RAAGZXCIXKNTBL-UHFFFAOYSA-N 313.357 2.896 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@]1(O)CCOc2ccccc21 75158145 NZWRXOCWHJTYLG-FUTAKVPZSA-N 315.394 2.548 0 40 DFAB CC(C)CCNC(=O)CCc1nc(-c2cccc(F)c2)no1 225801179 XFAKMAFZGBZZGZ-UHFFFAOYSA-N 305.353 2.971 0 40 DFAB CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 225624152 SRDNIVFLAJQOFS-SECBINFHSA-N 319.810 2.594 0 40 DFAB CNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225880944 ZTUQHWAOISGETP-DTORHVGOSA-N 313.858 2.529 0 40 DFAB O=C(NC1CC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225687110 POHKHEHIEHLAJV-PTNGSMBKSA-N 312.394 2.798 0 40 DFAB CCc1noc(CN(C)C(=O)COc2cccc(Cl)c2C)n1 96412375 KXOZEXZNUUNQNN-UHFFFAOYSA-N 323.780 2.631 0 40 DFAB C[C@H]1CCO[C@@H]1C(=O)N(c1cccc(F)c1)C1CCOCC1 96494764 LROMRUIGQBPWRX-LRDDRELGSA-N 307.365 2.763 0 40 DFAB C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)CC(=O)NC(C)C 96454408 FWFHZCULTXBDOE-CNELAYHGSA-N 306.381 2.648 0 40 DFAB c1cncc(OC[C@@]23CCO[C@@H]2CCN(Cc2ccco2)C3)c1 96110369 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DFAB C[C@@H]1CCCC[C@@H]1NC(=S)N1CC(=O)Nc2ccccc21 7560640 VVFIFRKDEOIRKI-NEPJUHHUSA-N 303.431 2.898 0 40 DFAB O=C1CC[C@@]2(CCCN(CC3CC(F)(F)C3)CC2)N1CCF 585100565 NSGQAFHXGIWAEB-OAHLLOKOSA-N 318.383 2.848 0 40 DFAB O=C1CC[C@]2(CCCN(C(=O)CCc3cccc(Cl)c3)C2)O1 585283338 NPDRHSLMMALYLR-KRWDZBQOSA-N 321.804 2.971 0 40 DFAB CCn1c(CNCc2ccc(N(C)C)nc2)nc2ccccc21 54174616 XBHAGFADMZKSGB-UHFFFAOYSA-N 309.417 2.807 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)[nH]n1 84758830 OWZJSMZLUGRTMU-ZDUSSCGKSA-N 315.377 2.600 0 40 DFAB O=C(Nc1ccc2c(c1)CNCC2)c1coc(Br)c1 95971608 MCRYQJYSCHVJQD-UHFFFAOYSA-N 321.174 2.940 0 40 DFAB COc1ccc(-n2nc(C)c3c(=O)c4c([nH]c32)CCCC4)cc1 13135562 FCTDOXAIPKVGEC-UHFFFAOYSA-N 309.369 2.910 0 40 DFAB C[C@@H]([C@@H](C(=O)N1CCCCC1)N1CCCCC1)N1CCCCC1 19366249 ADKFLHVQVMGMJD-ROUUACIJSA-N 321.509 2.728 0 40 DFAB CCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 19522510 DLCYPCCLDGBOKR-CQSZACIVSA-N 315.392 2.851 0 40 DFAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 19712734 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Cc1ccc(C)c2[nH]c(=O)c([C@@H]3NC(=O)c4ccccc4N3)cc12 421454 ZXKJYZIRKROXQG-KRWDZBQOSA-N 319.364 2.999 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(O)c1 31368143 UWUCJFKQMVXKIN-UHFFFAOYSA-N 312.325 2.910 0 40 DFAB CCOC(=O)CCCC(=O)c1ccccc1CN1CC=CC1 2516308 HBGOYNBBWBSEIY-UHFFFAOYSA-N 301.386 2.975 0 40 DFAB CCc1c(C)nc2ncnn2c1Nc1cc(OC)ccc1OC 1326796 YZNKKQLNUICMHC-UHFFFAOYSA-N 313.361 2.756 0 40 DFAB CC1=NN(C(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@](O)(C(F)(F)F)C1 6395018 VRQAYXGVHSXXGN-DYEKYZERSA-N 312.291 2.649 0 40 DFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)c(C)s1 6679986 JKTPSBDERJUYCW-UHFFFAOYSA-N 324.427 2.525 0 40 DFAB COc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12 336683 MQBSLGRCQBTQGB-UHFFFAOYSA-N 302.311 2.510 0 40 DFAB Cc1nc2cc([C@@H]3C=CCN3C(=O)C(C)(C)C)nn2c(O)c1C 100208647 SNYOOOPBCSATPD-ZDUSSCGKSA-N 314.389 2.537 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2CCOCC(F)(F)F)n1 75131879 MUPZNKDYLPLMQU-CQSZACIVSA-N 319.371 2.933 0 40 DFAB O[C@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)Cn1cnc2ccccc21 101244484 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FC(F)(F)c1ccnc(NCCc2cn3ccccc3n2)n1 24056016 ZKBZSFMBCSDXKC-UHFFFAOYSA-N 307.279 2.798 0 40 DFAB CC(C)c1cc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)no1 89893350 CDQUDUGAOPYAQH-CYBMUJFWSA-N 316.361 2.878 0 40 DFAB Fc1ccccc1CNCc1ccc(-n2cncn2)c(F)c1 55472285 QTJKISYEGFTKAB-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB O=C([C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 104185556 NJNFWBMXZALZDN-LUKYLMHMSA-N 318.461 2.674 0 40 DFAB COc1cc(CNc2ccccc2Cl)ccc1OCC(N)=O 59680654 YPMOLSYBFBKFBJ-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)OCc1nccs1 56242517 IIJDELSICYAJOF-UHFFFAOYSA-N 318.383 2.722 0 40 DFAB CCCCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1 3151038 RKRXVNBDMMRYBJ-OAHLLOKOSA-N 305.374 2.945 0 40 DFAB Cc1cc(CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)on1 66346660 UFZGIRMUBQPVLK-UHFFFAOYSA-N 308.378 2.742 0 40 DFAB C[C@@H](NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 58122962 QMEGOSUAIRSHMM-QGZVFWFLSA-N 323.440 2.686 0 40 DFAB Cc1cc(NC(=O)NCc2cc(-c3ccccc3)on2)n(C)n1 58171271 AZOIFTBWERKKOP-UHFFFAOYSA-N 311.345 2.705 0 40 DFAB CC1(C)CN(C(=O)c2ccc(O)nn2)c2cccc(Cl)c21 58264148 ZKUKTAPYVLMWKZ-UHFFFAOYSA-N 303.749 2.774 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2ccccc2n1 44973651 HHMYVMFZNKAECH-NSHDSACASA-N 309.325 2.585 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 44954573 SIMGZFKUXPUWCZ-CYBMUJFWSA-N 300.383 2.799 0 40 DFAB C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@@H](C)O1 58341069 HJWOICPPMHVXMC-VXGBXAGGSA-N 319.792 2.775 0 40 DFAB Cc1cc([C@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)c(C)o1 58379608 JOHDJQZRWBSFRW-LBPRGKRZSA-N 310.357 2.968 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1c1ccccn1 58328817 AWCIAWNHMSZOOE-ZOBUZTSGSA-N 318.417 2.719 0 40 DFAB CC(C)CN(C)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 58342373 KLUHFLIGOQKIEY-UHFFFAOYSA-N 317.433 2.720 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)CNC(=O)CC1CCCCC1 58407457 VLRCMVVOHZNGIE-AWEZNQCLSA-N 320.433 2.804 0 40 DFAB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 12727432 WFAAKIYVLTULDT-GFCCVEGCSA-N 315.291 2.873 0 40 DFAB Cc1ccc(-c2noc(Cn3cnc4ccccc4c3=O)n2)cc1 12869337 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O=C1C[C@]2(CC(c3ccc(F)cc3)=NO2)C(=O)N1c1ccccc1 5303117 HFLDVAGIZYYQEA-GOSISDBHSA-N 324.311 2.652 0 40 DFAB COC(=O)c1c(C)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1C 65562212 FBYDGWQVCYTDRZ-LLVKDONJSA-N 319.327 2.518 0 40 DFAB Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3=O)no1 65563651 SMCRHZGHJVPDCO-UHFFFAOYSA-N 300.314 2.520 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 14101348 BQWOBRJXKLWHHM-UHFFFAOYSA-N 321.423 2.698 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3ccccn23)o1 14140385 YAPOHJPMIQFMJO-JDQXGDOCSA-N 322.368 2.775 0 40 DFAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1 69420921 KJASBOOLKQEHRH-HNNXBMFYSA-N 310.825 2.523 0 40 DFAB O=C(NCC(F)(F)F)N(Cc1ccc(O)cc1)CC1CC1 69533149 PDXFRNHMQIESJW-UHFFFAOYSA-N 302.296 2.876 0 40 DFAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 4734694 NGQLJXWXOZWJSO-GOSISDBHSA-N 320.348 2.808 0 40 DFAB COc1ccc(CCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1 69709178 BZFBDMYYOCFZAQ-ROUUACIJSA-N 316.445 2.713 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(C2CC2)n1Cc1ccccc1 4985522 FNFKUPRXGNXSDJ-CYBMUJFWSA-N 315.398 2.611 0 40 DFAB COc1cc(CN(C)Cc2nc(CC(C)C)no2)ccc1O 69770153 XDYGSEQTDNWHSZ-UHFFFAOYSA-N 305.378 2.614 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1c[nH]cn1 70416487 SSQVXCVUQJBKJZ-UHFFFAOYSA-N 320.201 2.537 0 40 DFAB COc1cccc(CC(=O)NC[C@@H]2COc3ccccc3C2)c1 8941835 ICRZVEVELUFLSH-OAHLLOKOSA-N 311.381 2.605 0 40 DFAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC1CCCC1 9638560 IQBLWEOYWIYCBL-NSHDSACASA-N 308.451 2.544 0 40 DFAB Cc1cc(CN2CCC[C@H](n3cccn3)C2)ccc1-n1cncn1 92967088 ZTTZJPLIENBDEM-KRWDZBQOSA-N 322.416 2.609 0 40 DFAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1 9156580 NBINNFVULZEHFG-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB O=C(CC1(O)CCCC1)OCC(=O)c1c[nH]c2ccccc12 71914266 UUOIEZIUIJKRDY-UHFFFAOYSA-N 301.342 2.589 0 40 DFAB COCCOc1ccccc1C(=O)Nc1ccc(N)cc1C 19736426 LJAIRIALTOCOJS-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB CNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2OC)c1 9314897 KZNAGXGHPAEJCY-ZHACJKMWSA-N 310.353 2.707 0 40 DFAB CC[C@H](OC(=O)c1ccccc1C)C(=O)Nc1cc(C)on1 9449796 IFGKYULXFUXOGE-ZDUSSCGKSA-N 302.330 2.866 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C 71890249 RTNOPPAPYKWGSH-LLVKDONJSA-N 309.410 2.733 0 40 DFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@@H]1Cn1cccn1 71872041 JLLKFFLEHPJYLF-OAHLLOKOSA-N 321.384 2.578 0 40 DFAB COc1cc(F)ccc1NC(=O)NCc1cn2c(n1)CCCC2 71867508 KFFTWSULCCIVBC-UHFFFAOYSA-N 318.352 2.689 0 40 DFAB O=C(OCC(=O)c1ccc[nH]1)C1=Cc2cc(Cl)ccc2OC1 9721816 OWYRPBPAFGQYMQ-UHFFFAOYSA-N 317.728 2.870 0 40 DFAB O=C(CCCc1nnc2ccccn12)N1CCc2ccccc2C1 79489782 LPXURWWJQVDDSC-UHFFFAOYSA-N 320.396 2.637 0 40 DFAB Cc1ccc(CCC(=O)N2CCc3ccccc3[C@H]2C(=O)O)o1 97018164 LXANKLYBGGEQGW-KRWDZBQOSA-N 313.353 2.731 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNCc1ccc(CO)o1 97145324 GNKQTQLJMJJIRZ-AWEZNQCLSA-N 301.386 2.990 0 40 DFAB CC(=O)N1CC(C(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 97105627 UENHGNDUQYBLHY-GOSISDBHSA-N 314.429 2.903 0 40 DFAB COc1ncc(C)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97113343 RWEHJWBUUAUJTI-CQSZACIVSA-N 315.377 2.881 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)Cc1cccs1)C2 97198473 OSIWVUXCUKFJGL-LBPRGKRZSA-N 317.458 2.916 0 40 DFAB Cc1c(C(=O)N2CC(n3ccnn3)C2)sc2cccc(F)c12 95997906 UWJUNALRHGGELS-UHFFFAOYSA-N 316.361 2.637 0 40 DFAB Cc1ccc([C@H](CCn2cncn2)NCCCn2ccnc2)cc1 95940764 IRZCCEQIVGZBIC-SFHVURJKSA-N 324.432 2.594 0 40 DFAB Cc1noc(C)c1CN1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 95951805 BLJJYHDDHBGNOR-IEBWSBKVSA-N 311.429 2.998 0 40 DFAB C[C@@]1(CNC(=O)N2CCC[C@H](CO)C2)CCCc2ccccc21 95985320 YOMUPYJLABCGHD-KXBFYZLASA-N 316.445 2.695 0 40 DFAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 36056307 VFCCNJCFFPULCZ-QAETUUGQSA-N 322.788 2.558 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)[C@H](O)c2ccccc2)cc1 3885739 BCQWVSGYTQLPNS-YOEHRIQHSA-N 319.426 2.738 0 40 DFAB biogenic COc1ccc([C@H]2Nn3c(nnc3-c3cccnc3)S2)cc1 3843130 QWEYSLKCVPGYSE-AWEZNQCLSA-N 311.370 2.697 0 40 DFAB biogenic COc1cccc([C@@H](C)N2CCC[C@H](CN3CCOCC3)C2)c1 79434352 UZTDUOPAVXIZCE-IAGOWNOFSA-N 318.461 2.800 0 40 DFAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)O)nc1 42338776 PJEVPMAPNZMJFC-UHFFFAOYSA-N 304.733 2.705 0 40 DFAB Cc1noc(CCC(=O)NC[C@H](C)Sc2ccccc2)n1 81110104 MVKUWZAMYYEGRK-NSHDSACASA-N 305.403 2.608 0 40 DFAB CN(CC(C)(C)O)C(=O)Nc1ccc(F)c(-n2cccc2)c1 83568569 BMNANNPQRWISLQ-UHFFFAOYSA-N 305.353 2.851 0 40 DFAB COc1cc(OC)cc(C(=O)c2ccc(OC(C)=O)cc2)c1 43210001 FSWPNWATPWCOIN-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)s1 195543819 FUCIWFRURAHQFY-XBFCOCLRSA-N 307.463 2.585 0 40 DFAB COc1cccc(CNc2cccc(Cn3nc(C)nc3C)c2)n1 225386348 QVMACNWQEVAOEN-UHFFFAOYSA-N 323.400 2.959 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cccc(C)c2)C1 40160923 VOGYSGOEVZIGNK-SCOAYWHSSA-N 301.386 2.810 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC(Oc2cnccn2)CC1 85471801 HQQGUGUXRWVGLG-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(F)ccc2Cl)CN1 225463280 CXYPTMPAQFSUCK-ABAIWWIYSA-N 310.800 2.970 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cc(C)oc2C)C[C@@H]1C 225584081 SLVOPWLGOCXWOW-ZKYQVNSYSA-N 322.405 2.798 0 40 DFAB CN1CCC[C@@]2(CCN(C(=O)c3cnc4ccsc4c3)C2)C1 574663612 NSNNNTPIUMCZGU-QGZVFWFLSA-N 315.442 2.854 0 40 DFAB Cc1nc(C(F)(F)F)c(Cn2ncc3c2C[C@H](O)CC3)s1 333492586 VBFDKHLAFIMJII-SECBINFHSA-N 317.336 2.565 0 40 DFAB Cc1ccc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)o1 96108821 OBDBNNNDLOZFAL-QAPCUYQASA-N 314.385 2.510 0 40 DFAB CO[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1Cc1ccccc1 96206241 VTOIYGZIEMBVLQ-HOCLYGCPSA-N 301.365 2.700 0 40 DFAB c1ccc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)nc1 96107524 FJUMOOGENRTERE-WMZOPIPTSA-N 314.385 2.877 0 40 DFAB COc1cccc(S[C@H]2CCCN(c3cnn(C)c3)C2=O)c1 96424851 FTGLXFFGOWJYPJ-HNNXBMFYSA-N 317.414 2.716 0 40 DFAB COc1csc(C(=O)NCc2cccnc2OC(C)C)c1 96446250 ANYKAQYAGJERTH-UHFFFAOYSA-N 306.387 2.869 0 40 DFAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](OC)CO3)cc1 96110804 WQTUAWIEXAUNFN-MRXNPFEDSA-N 303.402 2.659 0 40 DFAB Cc1cccc([C@H](C)CNC(=O)N(C)C[C@H](O)C(F)(F)F)c1 96502865 SECRAJJBEAKQPF-YPMHNXCESA-N 318.339 2.663 0 40 DFAB COc1cc(C(=O)N2CCOc3ncc(C)cc32)ccc1F 96485608 JHXAASKAJXMOPC-UHFFFAOYSA-N 302.305 2.577 0 40 DFAB COC[C@H]1CCC2(CCN(Cc3ccc(OC)cc3)CC2)N1C 96208745 PXDJTXGDYFORLX-QGZVFWFLSA-N 318.461 2.770 0 40 DFAB Cc1cc(CNC(=O)/C=C/c2ccccc2)nc(N2CCCC2)n1 96121077 UJBGDVLNGXUEHJ-MDZDMXLPSA-N 322.412 2.715 0 40 DFAB C[C@@H](Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1 96453250 VUHSOUBDWSKCFL-SECBINFHSA-N 311.794 2.556 0 40 DFAB Cn1cc(CNC[C@H]2CCOC2)c(-c2cc3ccccc3o2)n1 97160033 RJGVYCTVKTXVOB-CYBMUJFWSA-N 311.385 2.959 0 40 DFAB Cc1cc(OC[C@@H](O)c2cccc(Br)c2)nnc1C 96415111 AOCSBLVONJBVCG-CYBMUJFWSA-N 323.190 2.968 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2ccncn2)C1 257270240 MTGYYUPSMXMIQB-QGZVFWFLSA-N 307.397 2.985 0 40 DFAB O[C@H]1CCCOC12CCN(CCCOc1ccccc1F)CC2 257305687 SRBBPDZJIYEKPJ-KRWDZBQOSA-N 323.408 2.601 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2Cc2c[nH]nc2-c2ccccc2)n1 257332163 XWAADZRDERMELL-INIZCTEOSA-N 323.400 2.682 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 253595588 GJCTYLNZVFYEJY-FXSPWANNSA-N 314.385 2.538 0 40 DFAB O=C(c1cccc2c1OCCO2)N1CCCC[C@@H]1c1ccn[nH]1 257283057 OWPMDUZFNLINES-CQSZACIVSA-N 313.357 2.548 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnccn2)C1 257306613 SVALVMATKDQDTR-LBPRGKRZSA-N 315.348 2.644 0 40 DFAB CNc1ncccc1CN1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257261308 LGQZSLJRSBXDQS-FHLIZLRMSA-N 324.428 2.808 0 40 DFAB COCC[C@@H]1CCCCN(C(=O)c2cccc(C(=O)O)c2)C1 263574458 NPXXDRRPWSQNAQ-ZDUSSCGKSA-N 305.374 2.664 0 40 DFAB Cc1ccc(Br)cc1C(=O)N(C)CCCC(=O)O 87741845 IFPLAMQZEQCCQS-UHFFFAOYSA-N 314.179 2.694 0 40 DFAB CC(C)[C@H](COC(F)(F)F)N1C(=O)c2ccccc2C1=O 96308450 UXZJXYBJVFHSHK-NSHDSACASA-N 301.264 2.844 0 40 DFAB CC(C)n1cc2cc(NC(=O)[C@H]3C[C@H]4CC[C@H]3NC4)ccc2n1 564825003 GKEZBQDFZDTXQY-ISTRZQFTSA-N 312.417 2.944 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@H](O)C(C)(C)C)CC1 195558513 RSKJRDJPMNCGCV-KGLIPLIRSA-N 314.470 2.773 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2Cc2ccccn2)cs1 1615189213 FTXANVJGKCIZOJ-CQSZACIVSA-N 302.403 2.834 0 40 DFAB CSc1ccc(NC(=O)c2snc3c(O)ncnc23)cc1 13564157 HQLMJPOFHJDYGA-UHFFFAOYSA-N 318.383 2.766 0 40 DFAB C/C=C/Cn1cc(C(=O)OCC)c(NC(=O)c2ccccc2)n1 5462314 AULPAHOVJMBTLU-HWKANZROSA-N 313.357 2.888 0 40 DFAB O=C(NCC1(Cc2ccccc2)CCC1)c1nccn2ccnc12 531814656 YBTLNDAOQJRANR-UHFFFAOYSA-N 320.396 2.872 0 40 DFAB C[C@H](Nc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2 10643219 ZUJOINZLOROHSB-NSHDSACASA-N 309.329 2.564 0 40 DFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)C3CCC3)c2C)no1 10809016 YZQZCWAULBLXQN-UHFFFAOYSA-N 316.357 2.917 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3F)cn2)n1 32833322 LGWKBAPMXZLBJK-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 2692979 NUTBTLHLZMBSIZ-UHFFFAOYSA-N 312.325 2.823 0 40 DFAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\Cc1ccccc1 5188617 ZBCKXDAUICOECY-VXPUYCOJSA-N 320.348 2.810 0 40 DFAB O=C1CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2N1 8962478 SSACDIGHHZHFBT-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB CCCSc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12 2298136763 KVJMMWUMBLVGCU-UHFFFAOYSA-N 314.414 2.999 0 40 DFAB Cc1csc(CNC(=O)c2ccc(OCC(C)C)nc2)n1 40145144 NSUDHANNOJRWGB-UHFFFAOYSA-N 305.403 2.811 0 40 DFAB O=C1C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21 20111430 LLSISNWGAFAEJM-INIZCTEOSA-N 321.380 2.796 0 40 DFAB biogenic O=S(=O)(c1cccc2cccnc12)N1CCc2ccccc21 67523 JGTVXBOVQGPYDP-UHFFFAOYSA-N 310.378 2.986 0 40 DFAB Cc1cc(C)n(-c2ccc(COC(=O)c3cnccn3)cc2)n1 40464707 SVEVLDOMDZVTIU-UHFFFAOYSA-N 308.341 2.636 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2sccc2C)c1 67197922 HDMSEHRHVWMTJZ-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)N1CCC1 40554026 PHARNXUNCFSMEK-UHFFFAOYSA-N 322.718 2.581 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H](C)O[C@H](C)C1 40529602 AEFHGLVWXUWGGI-NXEZZACHSA-N 306.387 2.961 0 40 DFAB NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3461293 DTOOTWWVDCXGRY-UHFFFAOYSA-N 312.350 2.605 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)NCCC1=CCCCC1 3272229 NCBSBKAQNVOFEQ-UHFFFAOYSA-N 303.358 2.556 0 40 DFAB COc1cccc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)c1 6205421 YILIRAMBGLALDL-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB CC(C)Cc1nnc2sc(NC(=O)c3ccccc3)nn12 6818048 NVOZEVUYTDBBHB-UHFFFAOYSA-N 301.375 2.637 0 40 DFAB Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2 100149192 YWYCONLBHDYGCM-IRXDYDNUSA-N 323.440 2.905 0 40 DFAB O=C(O)c1cccnc1S[C@H]1CCc2ccccc2NC1=O 20730228 VJRATMCKVGUEBF-ZDUSSCGKSA-N 314.366 2.825 0 40 DFAB Cc1csc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 21482868 KWOJAVLACSWCKB-GFCCVEGCSA-N 308.790 2.725 0 40 DFAB CNC(=O)c1ccccc1NC(=O)[C@@H](C)OCc1ccccc1 32955676 FDPWKLIVXOKJOP-CYBMUJFWSA-N 312.369 2.590 0 40 DFAB O[C@H]1CCCN(Cc2csc(COc3ccc(F)cc3)n2)C1 52635854 PTAZTRYVQXKIQI-AWEZNQCLSA-N 322.405 2.818 0 40 DFAB Cc1cccc(C2(C(=O)N[C@H](C)c3nnc4ccccn34)CC2)c1 53029321 BVYRRPMPKNBSCD-CQSZACIVSA-N 320.396 2.947 0 40 DFAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1Cl 102023948 NFPXDDVVTWHQGT-WBRVRECLSA-N 321.760 2.810 0 40 DFAB O=S(=O)(Nc1nccs1)c1ccccc1Br 37387072 HTBIBHSLOUOPBZ-UHFFFAOYSA-N 319.205 2.706 0 40 DFAB CCSc1cc(C(=O)NCc2ccc(O)c(OC)c2)ccn1 53800906 RBPJBVXCQDASTI-UHFFFAOYSA-N 318.398 2.838 0 40 DFAB CC(=O)Nc1ccc(OC(=O)c2cnc3onc(C)c3c2)cc1 43085698 SXSKGERKKLPBJG-UHFFFAOYSA-N 311.297 2.709 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2)c1 106908062 PLNICMFKRKWNMV-QZTJIDSGSA-N 317.408 2.919 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 107314277 AMYRQCNRNGZGLF-YDHLFZDLSA-N 322.449 2.938 0 40 DFAB Cc1cc([C@H]2CCCN(CC[S@](=O)c3ccccc3)C2)n[nH]1 107324043 YLIOMTWHWXFOJR-OYHNWAKOSA-N 317.458 2.705 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 107338133 SCQDDUCEHOVXAR-ZQDZILKHSA-N 322.449 2.938 0 40 DFAB COc1cc(C(=O)Nc2ccc(C)c(N)c2)cc(OC)c1OC 20343567 ZBVALKKLIDYELV-UHFFFAOYSA-N 316.357 2.855 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(Cl)c1 3323125 JJIRNUILXUNZNP-UHFFFAOYSA-N 307.758 2.685 0 40 DFAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1=COCCO1 10291004 BSGOJENMQHTRQU-HNNXBMFYSA-N 319.357 2.981 0 40 DFAB CC(C)(C)SCCNC(=O)C(=O)Nc1ccc(F)cc1F 67597900 UFQWEGVSSQQHBY-UHFFFAOYSA-N 316.373 2.551 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)C1 27955564 RRNGESVWNRRFTM-RHSMWYFYSA-N 322.474 2.973 0 40 DFAB COc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1 12935264 DMOZHYCOVLCFNF-UHFFFAOYSA-N 309.412 2.504 0 40 DFAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 12985450 XEDHYOICHLFJIU-HNNXBMFYSA-N 320.396 2.996 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccccc1Cl 59035629 WQWKWYMSQVCQJO-AWEZNQCLSA-N 318.808 2.950 0 40 DFAB C[C@@H](O)c1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2[nH]1 67964759 YQWLSRGFTXKVPZ-SNVBAGLBSA-N 316.382 2.687 0 40 DFAB Cc1cc([C@H]2CCCN2Cn2cc(Br)cn2)on1 49320057 LGOHAEIZIXAFIJ-LLVKDONJSA-N 311.183 2.737 0 40 DFAB CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C 4144293 HASOENNPAAJAEN-CQSZACIVSA-N 320.414 2.529 0 40 DFAB COc1ccccc1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 13893041 YJTGSVKWEQSXJG-IYBDPMFKSA-N 318.461 2.769 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1)C(C)C 65591722 JWWBSVOBINHQAK-UHFFFAOYSA-N 314.433 2.886 0 40 DFAB CCOC(=O)/C=C(\Nc1ccc2[nH]c(C)cc2c1)C(=O)OCC 4710398 UFPQEPOGKRJLPU-GDNBJRDFSA-N 316.357 2.898 0 40 DFAB CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCC1 14703270 QUYQJDKHCNMGJH-UHFFFAOYSA-N 303.431 2.848 0 40 DFAB CCc1ccsc1C(=O)N(C)[C@@H](C(N)=O)c1cccc(F)c1 70038060 UZVQIUJFUZEVAG-CYBMUJFWSA-N 320.389 2.748 0 40 DFAB CNC(=O)[C@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 69814896 CZKNSSAMBNSCHN-OAHLLOKOSA-N 320.339 2.865 0 40 DFAB CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1C(F)(F)F 92100253 IQJXGBYUZZYUHS-LBPRGKRZSA-N 304.287 2.555 0 40 DFAB O=C(NCCc1ccc(O)cc1)Nc1ccc2c(c1)OCCO2 72019172 VGMWOESFGVTOKJ-UHFFFAOYSA-N 314.341 2.528 0 40 DFAB O=C(N1CCO[C@H](CO)C1)N(c1ccccc1)c1ccccc1 96007739 SHYPKELKAHFNLM-KRWDZBQOSA-N 312.369 2.638 0 40 DFAB CC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 72274658 MXGKFAIGFPOWOA-CQSZACIVSA-N 310.353 2.899 0 40 DFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c(F)cccc2s1 71829847 FWNSLFUFNYZBRR-NXEZZACHSA-N 320.389 2.766 0 40 DFAB Cc1csc(-c2cccc(OS(=O)(=O)c3c[nH]cn3)c2)n1 76018124 GHYMZAURTWSRIA-UHFFFAOYSA-N 321.383 2.609 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@H](O)c2ccccc2F)c1 97142928 LTRAQSRLFHGUBM-CQSZACIVSA-N 303.337 2.693 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@](C)(O)c2ccc(C)o2)c1 97378568 JFWLSDQLXCVDLU-INIZCTEOSA-N 303.362 2.629 0 40 DFAB Cc1nc(C)n(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1 95392637 KIKGAGULHMHUGG-UHFFFAOYSA-N 311.364 2.757 0 40 DFAB c1cnn(-c2ccc(CNCCc3cn4c(n3)CCCC4)cc2)c1 97731769 QIRJNDDAYKWYNV-UHFFFAOYSA-N 321.428 2.737 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)N(C)[C@H](C)c2cnn(C)c2)c1 95464427 ILIMUUAOHOVZKC-KGLIPLIRSA-N 301.390 2.715 0 40 DFAB Cc1cc(CNC(=O)c2ccc(C(=O)NC3CC3)cc2)c(C)o1 95441244 GNQSQFVMOPHNPF-UHFFFAOYSA-N 312.369 2.719 0 40 DFAB CC(C)CC(=O)Nc1ccc(C(=O)NC[C@H]2CCOC2)cc1F 78877055 JFKKWDSENXXSGB-GFCCVEGCSA-N 322.380 2.577 0 40 DFAB CC[C@@H](C(=O)N(C)c1ccccc1SC)N1CCCC1=O 95991249 RGLCIMVACQLTQP-LBPRGKRZSA-N 306.431 2.772 0 40 DFAB O=C(c1cccc2ncccc12)N1CCCC[C@H]1c1nc[nH]n1 95990223 PLOUAILWBVERSR-HNNXBMFYSA-N 307.357 2.720 0 40 DFAB c1ccc(-n2nnnc2Cn2ccnc2-c2cccs2)cc1 95990768 NAAZTUOPKGCDPF-UHFFFAOYSA-N 308.370 2.636 0 40 DFAB Cc1nc(C)c(CCNC(=O)NC[C@@]2(C)CCCS2)s1 89559131 UNBQFSGFYMQTQW-CQSZACIVSA-N 313.492 2.887 0 40 DFAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1 409001404 IEGWAGINMIUOPT-MRXNPFEDSA-N 318.417 2.602 0 40 DFAB CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H]1CCC(=O)N1 122582657 WENRWXLTMRGKIT-UKRRQHHQSA-N 320.458 2.569 0 40 DFAB COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)Cc1ccccc1F 188153732 SKDUDZPQJMVTJO-SWLSCSKDSA-N 318.396 2.619 0 40 DFAB C[C@H]1C(=O)N(c2ccccc2)CCN1c1ncnc2sccc12 32507867 NBSVTZKYYJRSHH-LBPRGKRZSA-N 324.409 2.933 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Cl)ncn1 72203408 DDXBUECOWHMWBT-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB CCn1nccc1C1CCN(C(=O)N[C@@H]2C=CCCC2)CC1 521171828 ROHWTPHDALVOQT-OAHLLOKOSA-N 302.422 2.901 0 40 DFAB O=C1CC[C@H](Nc2ncnc3sc4c(c23)CCCC4)CCN1 521394813 NCKXZMSGUDFCAR-JTQLQIEISA-N 316.430 2.651 0 40 DFAB CNC(=O)C(C)(C)CN[C@@H]1CCCOc2c(Cl)cccc21 183835426 MBTSJMDRIZVIGD-CYBMUJFWSA-N 310.825 2.916 0 40 DFAB Cc1nc(CC2CC2)sc1C(=O)N[C@H](C1CC1)C(C)(C)CO 563408324 XPYVGOFGGPHBCM-OAHLLOKOSA-N 322.474 2.931 0 40 DFAB CCc1nc(Cn2ccnc2-c2ccnn2-c2ccccc2)no1 71755280 WIAHTMKWZODOJS-UHFFFAOYSA-N 320.356 2.730 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(Cl)nn1 72203466 OBUGYFGHCINBSX-JTQLQIEISA-N 312.801 2.941 0 40 DFAB O=C1CC[C@@H](c2nc(-c3ccncc3)no2)N1Cc1ccco1 72242480 HXZBCIXBJUJIMW-ZDUSSCGKSA-N 310.313 2.588 0 40 DFAB Cc1ccc(NC(=O)c2ccc(C)n2C)cc1N1CCOC1=O 74396905 DVDPACSBBXIEEE-UHFFFAOYSA-N 313.357 2.851 0 40 DFAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)c2ccc(F)cc2)n1 72388516 TWPFBPQLRRONQU-QGZVFWFLSA-N 314.364 2.658 0 40 DFAB Cn1nccc1[C@@H]1CCC[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 560026864 VGSWDIZGQAUJPP-VVWQDTPRSA-N 311.429 2.694 0 40 DFAB c1ccc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 72390048 ICGMROLFVRSIKE-OAHLLOKOSA-N 321.384 2.906 0 40 DFAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1Br 42646270 MYKKWJYCTHGOSR-SECBINFHSA-N 313.195 2.611 0 40 DFAB COc1ccc(/C=C\C(N)=O)cc1OCc1ccc(F)cc1 44278608 XETJNXOQXUXWAH-UITAMQMPSA-N 301.317 2.912 0 40 DFAB CC(C)N1CCN(C(=O)Nc2ccc3ncsc3c2)CC1 193184881 FWEVPJVWKJGNOY-UHFFFAOYSA-N 304.419 2.854 0 40 DFAB C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccco1 96486201 WUFIDRSQIXAJOC-RNCFNFMXSA-N 323.190 2.919 0 40 DFAB O=C(O)[C@@H]1CCCN(c2nc(C3CC3)nc3c2CCCC3)C1 96516948 CRRDVXJNNAQDSG-GFCCVEGCSA-N 301.390 2.534 0 40 DFAB Fc1cccc(-c2noc(-c3nc(-c4ccncc4)no3)n2)c1 98212388 CFDUXWXZIYCYIN-UHFFFAOYSA-N 309.260 2.988 0 40 DFAB COc1ccsc1S(=O)(=O)Nc1cccc2c1CCN2C 95414581 HYPIRIMLORSDSK-UHFFFAOYSA-N 324.427 2.550 0 40 DFAB CC(C)OCc1ncn2c1CN(Cc1ccccn1)CCC2 96259947 NBWZCSWKUJEZGB-UHFFFAOYSA-N 300.406 2.609 0 40 DFAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccccc3)n2)ccc1OC 95534465 HCHPYJNGBFETJK-MRXNPFEDSA-N 324.384 2.927 0 40 DFAB CS[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 48793927 KUAHNEVUDPKQRQ-QMMMGPOBSA-N 300.811 2.732 0 40 DFAB CCc1ccc2oc(=O)cc(CN3C[C@H](C)O[C@@H](C)C3)c2c1 22625886 IGGPMVDPVDEGHY-STQMWFEESA-N 301.386 2.965 0 40 DFAB biogenic CCN(c1ccsc1C(=O)O)S(=O)(=O)c1ccccc1 96511549 NILWBXOQQWBACX-UHFFFAOYSA-N 311.384 2.662 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)N[C@H](C)CS(C)(=O)=O 96491623 PQEOORLGBPUYKD-UONOGXRCSA-N 305.443 2.794 0 40 DFAB NC[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514460 CMQWECWJHSUHFY-PMPSAXMXSA-N 321.829 2.855 0 40 DFAB Nc1cc(CC[C@H]2CN(Cc3cccc(F)c3)CCO2)ccn1 257336702 YPQNIWKXQKSCIZ-KRWDZBQOSA-N 315.392 2.637 0 40 DFAB Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 257277246 NXAYZMBDYQOTDM-HNNXBMFYSA-N 309.373 2.664 0 40 DFAB CC(=O)N1CCN(C(=O)CC2CCCC2)[C@@H](c2ccccc2)C1 257272684 NDKPRKYASPNQRL-GOSISDBHSA-N 314.429 2.999 0 40 DFAB Cc1cc(-c2ccccc2C(=O)O)nc(CC2CCNCC2)n1 257244165 IKEBOXXEOIPTNQ-UHFFFAOYSA-N 311.385 2.692 0 40 DFAB CO[C@@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1C 96105061 LRCHEQINFGPKBR-KRWDZBQOSA-N 319.426 2.802 0 40 DFAB CO[C@@](C)(CNC(=O)COc1ccccc1)c1ccccc1F 96123450 QDOUJMUQCBQKLU-SFHVURJKSA-N 317.360 2.883 0 40 DFAB CCOc1ccccc1N(C)C(=O)Nc1nnc(CC)s1 585140421 DFZUMACLUWENFR-UHFFFAOYSA-N 306.391 3.168 0 40 DFAB CC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 53084169 VDMUKYJQQOEPTR-UHFFFAOYSA-N 323.868 2.624 0 40 DFAB CC(C)(C)CC(=O)NCc1ccc(Cn2ccccc2=O)cc1 55623622 WVXXEYUBFGZLGU-UHFFFAOYSA-N 312.413 2.949 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 96365351 MCTRIIWZWDLXDK-CQSZACIVSA-N 324.446 2.635 0 40 DFAB Cn1cc(-c2noc([C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)nn1 565775543 YMEGHVALGKGXPM-HTQZYQBOSA-N 301.272 2.701 0 40 DFAB CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2nc(C)nn2c1 580013967 PLAPBPQAZJXMRB-STQMWFEESA-N 319.434 2.833 0 40 DFAB CCn1cc(/C=C/C(=O)Nc2cnn(Cc3ccccc3)c2)cn1 1019035 RGSPIIRATLWYRN-CMDGGOBGSA-N 321.384 2.800 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 2923470 YYLQIZOXOFOGJY-DZGCQCFKSA-N 304.390 2.702 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC3CC3)n2)cc1 5211031 ZZWRWIDMQJZPFX-JTQLQIEISA-N 302.403 2.539 0 40 DFAB CCn1cc(CN(CCN(C)C)Cc2ccc(C)o2)c(C)n1 19524499 QRSZITDQOPBWDE-UHFFFAOYSA-N 304.438 2.677 0 40 DFAB CN(C)Cc1cc([C@H]2CCCN2C(=O)CC2CCCC2)nn1C 19709054 DOZRQYYPPJPIEL-QGZVFWFLSA-N 318.465 2.726 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1F 150748353 HCNADCRREWWVAJ-UHFFFAOYSA-N 313.325 2.799 0 40 DFAB O=C(c1ccco1)N1CCC[C@H](c2nc(-c3ccncc3)no2)C1 1888929030 ZKAFEXZFWKEBRO-ZDUSSCGKSA-N 324.340 2.744 0 40 DFAB Cc1cccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)c1 1889139041 YGBPAQRGKFQVIY-QGZVFWFLSA-N 318.486 2.782 0 40 DFAB COCCNC(=O)/C=C/c1csc(-c2ccc(OC)cc2)n1 14120893 ZYVOECBGRKTJQB-VMPITWQZSA-N 318.398 2.595 0 40 DFAB O=C1C[C@H]2[C@H](CCN2CC2CCCCC2)N1Cc1cncs1 1565541552 SUXKPDWNTVOIMS-HOTGVXAUSA-N 319.474 2.899 0 40 DFAB CN(C)[C@@H](CNC(=O)COc1ccccc1)c1ccsc1 13011113 VUXMHKWBLSXGHQ-HNNXBMFYSA-N 304.415 2.546 0 40 DFAB Cc1ccc2c(c1)N(Cc1ccc(F)cc1)C=NS2(=O)=O 15826788 CVFZOTFKQSPLPW-UHFFFAOYSA-N 304.346 2.871 0 40 DFAB CCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1 101113564 UNWCZFMADFUZHE-LTGZKZEYSA-N 322.368 2.872 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@H]1COC2(CCCCC2)O1 49504131 SHVVODSERDOIME-YBJDMEARSA-N 307.415 2.953 0 40 DFAB O=C1NC(=O)c2ccccc2/C1=C\c1cnn(-c2ccccc2)c1 30058225 PKDDUWSVFHWUPB-LICLKQGHSA-N 315.332 2.683 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCNCC1 37798505 XKBKADAVZMSDCM-UHFFFAOYSA-N 301.217 2.951 0 40 DFAB O=C(Nc1n[nH]c2c(Cl)cccc12)[C@@H]1CCn2ccnc2C1 89878118 SYEIVLKHLHNXOR-SECBINFHSA-N 315.764 2.614 0 40 DFAB COc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cn1 47949154 ORFWRDGQSWEBRY-UHFFFAOYSA-N 320.776 2.805 0 40 DFAB COc1ccc(C(=O)c2ccccc2CN2CCOCC2)cc1 43211418 PMUMBIVNXOXBEN-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB Cc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)c(C)o1 3273586 PSOUNZYNSUXKCM-UHFFFAOYSA-N 313.353 2.638 0 40 DFAB CCCCC[C@@H]1[C@@H](O)C(=O)OC1(C(F)(F)F)C(F)(F)F 1614721 ZCDBTMTVDOKNEI-RNFRBKRXSA-N 308.218 2.964 0 40 DFAB COc1ccc(C(=O)N(C)C)cc1NCc1c(C)noc1C 55890662 NPKZROPNJUAYAT-UHFFFAOYSA-N 303.362 2.614 0 40 DFAB CC(C)c1nccn1CC1CN(C(=O)c2cc(C3CC3)on2)C1 1848991682 WXHGMFAMFNPIOO-UHFFFAOYSA-N 314.389 2.644 0 40 DFAB CC[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 4996539 OOUYYIDHJBSBGI-GOEBONIOSA-N 300.402 2.891 0 40 DFAB CCN(CC)C(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 6053298 BPBPOFQJZXUJQJ-QLFDAEIZSA-N 306.450 2.576 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1CCC(C)CC1)CC2 89986313 PRHVXZNWOJPEMR-FJBKBRRZSA-N 309.450 2.591 0 40 DFAB CN1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1=O 44350140 AXNNAQHRWXTLNR-XJKSGUPXSA-N 320.820 2.776 0 40 DFAB CC[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1O2)Oc1cccc(F)c1 102686694 CLHXISWRGDYCKP-BVUBDWEXSA-N 307.365 2.667 0 40 DFAB NC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 10045669 ZIXWQYQLEAJFGU-CYBMUJFWSA-N 307.708 2.863 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)s1 10142828 NFPRECUYUSISJE-CABZTGNLSA-N 310.419 2.612 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cn1 44895918 VPIQXJJZRJBFBP-INIZCTEOSA-N 324.359 2.782 0 40 DFAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccsc2)ccc1C 76082566 FMPDRUHNMUOJHZ-UHFFFAOYSA-N 310.400 2.816 0 40 DFAB COc1cc(CNC(=O)NCc2cccnc2)c2ccccc2n1 76066408 VEJORLYPANMXIU-UHFFFAOYSA-N 322.368 2.638 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@@H]1c1ccccc1 2449483 RISIRWDRBBDOPW-CXAGYDPISA-N 311.337 2.938 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 29074178 HYINTDZDGZODHC-OAHLLOKOSA-N 322.368 2.715 0 40 DFAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(N2CCCC2=O)c1 29010927 AFKZMPDDAYMUAH-UHFFFAOYSA-N 318.373 2.643 0 40 DFAB CC[C@H]1CN(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc2O1 45795949 XNLWUNWBCVQRJB-STQMWFEESA-N 318.373 2.581 0 40 DFAB C[C@H]1CCCCN1[C@@H](C)CNC(=S)NCCc1ccccc1 36847562 CHKMZPFQMBKFDN-HOTGVXAUSA-N 319.518 2.956 0 40 DFAB COc1cc2nc(Cl)nc(NCCCN(C)C)c2cc1OC 11756116 NUGPSKWQKZCXLY-UHFFFAOYSA-N 324.812 2.664 0 40 DFAB O=C(COc1ccc(-c2ccccc2)cc1)NC1=NCCS1 2619568 JLKKSTBBOGXQSR-UHFFFAOYSA-N 312.394 2.951 0 40 DFAB COc1cc(OC)c(C2=CCN(C(=O)C3CC3)CC2)c(OC)c1 11918523 QTOKXVADPFNIQO-UHFFFAOYSA-N 317.385 2.738 0 40 DFAB CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186275 UZALNYNQEBRSDO-IIDMSEBBSA-N 319.376 2.701 0 40 DFAB Cc1csc(CCNC(=O)N2CCC(n3cccc3)CC2)n1 60546679 LWGVRNYMYFQKSO-UHFFFAOYSA-N 318.446 2.842 0 40 DFAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc[n+]1[O-] 60760004 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O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCCC1 4475501 DDUFRQJLAKRGMS-UHFFFAOYSA-N 317.410 2.626 0 40 DFAB CCCCCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 65539451 LEFLTPTYRPXPQB-SFHVURJKSA-N 317.477 2.672 0 40 DFAB O=C(Cn1cncn1)Nc1ccc(OCC2CCCCC2)cc1 65591204 VDGOVPCGSXDQRA-UHFFFAOYSA-N 314.389 2.876 0 40 DFAB COc1cccc2cc(C(=O)Nc3nccs3)c(=N)oc12 6485089 BMLAACHMQYLJAD-UHFFFAOYSA-N 301.327 2.630 0 40 DFAB CCc1nnc(NC(=O)NCCCCCCCN(C)C)s1 71832830 IGOXVDIJCAWILL-UHFFFAOYSA-N 313.471 2.734 0 40 DFAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc3c(c1)OCO3)N2 4501921 RAXQIIVGLGTHTC-ZDUSSCGKSA-N 302.355 2.948 0 40 DFAB Cc1c(NCC(=O)N(C)C2CC2)cccc1OCC(F)(F)F 65626115 HIZCBFGMCZESLJ-UHFFFAOYSA-N 316.323 2.969 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccnc1 71893073 LTOVEYYOOJRMKT-CRAIPNDOSA-N 309.413 2.923 0 40 DFAB O=S(=O)(NCc1ccccc1OC(F)F)c1cccs1 14208374 UTYMJYUOOIOOND-UHFFFAOYSA-N 319.354 2.828 0 40 DFAB N=C1C(=O)OC[C@H]1c1ccccc1NC(=O)c1ccc(F)cc1 4649562 NEGASMKEYQUSFK-ZDUSSCGKSA-N 312.300 2.738 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 71890248 RTNOPPAPYKWGSH-NSHDSACASA-N 309.410 2.733 0 40 DFAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@@H](C)C(F)(F)F 95939907 OLPMMOMCJRTDGT-VIFPVBQESA-N 313.316 2.928 0 40 DFAB c1cc2occc2c(N2CC[C@@H](OCCN3CCCCC3)C2)n1 95974188 RDOYUOFNIKTGCK-OAHLLOKOSA-N 315.417 2.909 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1 68243092 RRMVWBNTKQTJDJ-MRXNPFEDSA-N 311.385 2.785 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 94595294 MILMOHQQJGBYQO-JTQLQIEISA-N 305.227 2.534 0 40 DFAB Cc1sc2nc3[nH]nc(Nc4ccccc4)n3c(=O)c2c1C 16755304 UJGCYWYNUZIUDN-UHFFFAOYSA-N 311.370 2.993 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cn1 72298861 INMRXNDFRMHSQY-CYBMUJFWSA-N 317.414 2.875 0 40 DFAB COc1ccc([C@H](C)CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1 97034005 XQYNYKXMXBKODF-JLSDUUJJSA-N 305.418 2.679 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N1C[C@H](C)O[C@H](C)C1 17325463 VKZDVOQDLFGTLT-TXEJJXNPSA-N 300.358 2.899 0 40 DFAB c1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cs1 69741518 CGYINHHEXKHDOT-CQSZACIVSA-N 318.446 2.763 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1 69770024 FGLNUNLFBWTTJV-TVFCKZIOSA-N 313.445 2.660 0 40 DFAB O=C1C(=O)N(c2ccc3ncccc3c2)C(=O)N1c1ccccc1 18192824 VCBGMTVCSWNUED-UHFFFAOYSA-N 317.304 2.735 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCc1ccc(Cn2cncn2)cc1 97159215 BBYBAYDZLZTTMW-UHFFFAOYSA-N 324.432 2.637 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cn1 97111876 XPGWMCOVOBBYGT-SFHVURJKSA-N 310.397 2.864 0 40 DFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccsc1 8719043 CBYGEXXZUPJEDY-UHFFFAOYSA-N 321.354 2.804 0 40 DFAB CCOC(=O)CSc1nnc(-c2ccccc2OCC)o1 60512579 UVBOSMKUVXDXJR-UHFFFAOYSA-N 308.359 2.791 0 40 DFAB CC(C)c1nnc2sc(-c3ccc(-n4ccnc4)nc3)nn12 71280544 DCTQJYUKUMWEJE-UHFFFAOYSA-N 311.374 2.557 0 40 DFAB CCn1c(S)nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C 9262859 CJDMNJBMPBMIGT-LBPRGKRZSA-N 322.409 2.853 0 40 DFAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1c[nH]c2ccccc12 95427030 PLNSNPQJCHXZRR-DLBZAZTESA-N 320.458 2.656 0 40 DFAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(F)c(F)cc1F 95445488 BUFAGOHBQCHQMQ-ISVAXAHUSA-N 313.275 2.939 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)on1 95448236 ADAMWLFZCSFFJR-ZDUSSCGKSA-N 323.356 2.745 0 40 DFAB O=C([C@H]1CCCOC1)N1CC[C@@H](OCCCc2ccccc2)C1 95408990 KNEYYHUMMWLKPR-ZWKOTPCHSA-N 317.429 2.663 0 40 DFAB O=C(O)c1cc(NC(=S)NCc2ccccc2)ccc1O 216927973 OKRLDLGRXIOJCI-UHFFFAOYSA-N 302.355 2.577 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2nc(C)cs2)C12CCC2 84800767 UYUCKCYYKZBCAN-CHWSQXEVSA-N 323.462 2.941 0 40 DFAB NC(=O)c1ccc(C(=O)NCCc2c(F)cccc2Cl)cc1 89768041 VDQYSHHNUVADQV-UHFFFAOYSA-N 320.751 2.551 0 40 DFAB O=C(CN1CCCCCC1=O)O[C@@H]1CSCc2ccccc21 78442714 UFGUNUUXIAMXLU-OAHLLOKOSA-N 319.426 2.920 0 40 DFAB COc1ccccc1N1C[C@H](c2nc(C(C)C)no2)CC1=O 38914052 YDSOFGJOEGZPFM-LLVKDONJSA-N 301.346 2.722 0 40 DFAB CCc1ccc(CNC(=O)C(=O)NCc2ccc(CC)cc2)cc1 408708432 ZRVHIRDUCBXAHE-UHFFFAOYSA-N 324.424 2.744 0 40 DFAB O=C(N[C@H]1CCN(c2ccccn2)C1)[C@@H]1C[C@H]1c1ccsc1 528890009 JFIGFSFIFOHVRA-SOUVJXGZSA-N 313.426 2.642 0 40 DFAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1cc[nH]n1 72386112 JLSFHSDQQFKFPX-HNNXBMFYSA-N 303.337 2.681 0 40 DFAB CC[C@H](C(=O)N1CCCc2c(F)ccc(F)c21)N1CCCC1=O 189005666 KFELEFAJJUMJAK-CQSZACIVSA-N 322.355 2.645 0 40 DFAB CN(CCCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccccc1 30268685 OYFONWYZWGRVEE-KRWDZBQOSA-N 316.376 2.753 0 40 DFAB CC(C)N1CCN(c2ccc([C@@H](O)c3ccccc3)cn2)CC1 72225615 FDHWPDBBLMGAHL-IBGZPJMESA-N 311.429 2.694 0 40 DFAB COc1cccc(CN(C)C(=O)c2cccnc2S)c1OC 32905448 FHPMBODZHCKYFQ-UHFFFAOYSA-N 318.398 2.660 0 40 DFAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NC)c2c1 40175697 JRQHMNHZNYBPTL-UHFFFAOYSA-N 302.330 2.630 0 40 DFAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1C 225893071 LOPTUXOTGNGIOF-INIZCTEOSA-N 310.394 2.559 0 40 DFAB Cc1ccsc1-c1nnc2sc(-c3ccnn3C)nn12 40268750 DYPWACIQRGNXSJ-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB O=C(c1cnnc2ccccc12)N1CC=C(C(F)(F)F)CC1 528901520 MOIDDCHQBFZFML-UHFFFAOYSA-N 307.275 2.964 0 40 DFAB COc1cc(SC)ccc1NC(=O)CCc1cnn(C)c1 192711979 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Cc1nnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1 83955944 SGCGNWVHBPATFY-UHFFFAOYSA-N 323.321 2.666 0 40 DFAB O[C@H](CNc1ncc(F)cn1)c1ccc(C(F)(F)F)cc1 808073426 FYAVKZAPDMHRQY-LLVKDONJSA-N 301.243 2.780 0 40 DFAB CN(C)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 96501438 QKLVZXJLJYZNOG-SECBINFHSA-N 316.232 2.599 0 40 DFAB CCOC(=O)[C@H](OP(=O)(OCC)OCC)C(F)(F)F 1856220 XEZTTYBRBJYINN-ZETCQYMHSA-N 308.189 2.678 0 40 DFAB COc1ccc(-n2nnc(C(C)=O)c2NCc2ccco2)cc1 12115207 CLKMBHQWFBYFLW-UHFFFAOYSA-N 312.329 2.684 0 40 DFAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(Cc1ccccc1)C2 12666957 USQQEMDUIFXRFD-UHFFFAOYSA-N 320.396 2.871 0 40 DFAB CCn1c(CNC(=O)Cc2ccccc2OC)nc2ccccc21 16695732 GAHNLQNAKITLNC-UHFFFAOYSA-N 323.396 2.924 0 40 DFAB OCCN(Cc1cccnc1)Cc1cnn(C2CCCCC2)c1 19338687 OGWGZZULTSEDOJ-UHFFFAOYSA-N 314.433 2.778 0 40 DFAB CC(C)Oc1cncc(C(=O)N2CCO[C@H](c3ccco3)C2)c1 151491226 AJPBZFCWSZLTEU-INIZCTEOSA-N 316.357 2.676 0 40 DFAB CC(=O)OC(C)(C)C(=O)N1CCS[C@H](c2ccco2)CC1 219418209 JOWBOBATSJALIM-ZDUSSCGKSA-N 311.403 2.628 0 40 DFAB CSc1nc(C)cc(N2CC[C@@H](Oc3ccncc3C)C2)n1 1889098721 XQFMQKPIWAMUCV-CYBMUJFWSA-N 316.430 2.868 0 40 DFAB NC(=O)[C@H]1CCCN1c1nc2c(C(F)(F)F)cccc2s1 1889108763 FTGPAJFBWNNFPI-MRVPVSSYSA-N 315.320 2.769 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1ccc2nnc(C3CC3)n2n1 1889175197 VABXXFGTKACSIB-UHFFFAOYSA-N 315.283 2.532 0 40 DFAB CC(C)N(C(=O)CSc1nnc(N)s1)c1ccccc1 3358001 DMNGOJWUYIHQGB-UHFFFAOYSA-N 308.432 2.654 0 40 DFAB CCn1cc(Br)c(C(=O)Nc2cccc(OC)c2)n1 28306306 WAJCATWZWRRFGK-UHFFFAOYSA-N 324.178 2.926 0 40 DFAB O[C@@]1(COc2ccccc2)CCCN(Cc2nccs2)CC1 2037905569 HUALHOZOINVDGG-KRWDZBQOSA-N 318.442 2.939 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4518046 PJSWBDZVHZUXCQ-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@@H]3CCCO3)cc2F)c1 96431513 OKRAMOSCGUZARW-LRDDRELGSA-N 317.364 2.676 0 40 DFAB CCOC(=O)Cn1/c(=N/C(=O)CC)sc2c(C)cc(C)cc21 100910555 KEKVLLPRWCCSGO-MSUUIHNZSA-N 320.414 2.720 0 40 DFAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cccnc1S 30563861 JCUCUELHORFBBB-UHFFFAOYSA-N 324.409 2.545 0 40 DFAB COc1ccc(Nc2oc(C)cc(=O)c2C(C)=O)c(OC)c1 100118609 GJRRDRAYMYJVDK-UHFFFAOYSA-N 303.314 2.912 0 40 DFAB biogenic CCOc1ncccc1CNC(=O)[C@@H](C)OCc1ccccc1 30836582 LXFLYUYAETZGQL-CQSZACIVSA-N 314.385 2.702 0 40 DFAB Cc1cc(NC(=O)CN2CCCCC2)n(-c2ccccc2F)n1 51086767 NADGBFJKTHGYJU-UHFFFAOYSA-N 316.380 2.744 0 40 DFAB CCN1CCc2nc(NC(=O)Cc3cccc(F)c3)sc2C1 21294330 FFMMDKGTKAOFEF-UHFFFAOYSA-N 319.405 2.841 0 40 DFAB C[C@@H](NC[C@@H](c1ccco1)N(C)C)C(=O)NCC1CCCCC1 21762913 TXNHEXGSPGYYRI-ZBFHGGJFSA-N 321.465 2.557 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 21937550 WDFYCPFGDYITLN-UHFFFAOYSA-N 306.450 2.576 0 40 DFAB O=C(NCCC(=O)N1CCCC1)Nc1cccc2c1CCCC2 53976989 AFOMDKDIGWHMFR-UHFFFAOYSA-N 315.417 2.699 0 40 DFAB CCN(CC(=O)NCc1cccs1)C(=O)C[C@@H]1C=CCC1 23013540 HOHBAUAKGVNNCO-CYBMUJFWSA-N 306.431 2.569 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccccc2)C1 282180 KXDDBDWEJDZEQU-AWEZNQCLSA-N 319.474 2.964 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 300636 AATLTRSTZYMCGM-HLLBOEOZSA-N 314.404 2.796 0 40 DFAB COc1ccc(CN2N=C(C)CC(C)(C)NC2=S)cc1OC 1302809 PPMHSZQVADELFH-UHFFFAOYSA-N 321.446 2.939 0 40 DFAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 78847141 QLGDICPAVBAGHR-CQSZACIVSA-N 317.410 2.873 0 40 DFAB COC(=O)[C@@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 1425866 BMLODJWLGZXGBZ-KRWDZBQOSA-N 311.337 2.932 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1 106661429 UXDJITOLFLYQJH-IAGOWNOFSA-N 302.418 2.532 0 40 DFAB c1cnc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)cs2)nc1 106826456 ZEPSLNDECXWXPL-KGLIPLIRSA-N 316.430 2.744 0 40 DFAB C[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@](O)(C(F)(F)F)[C@@H]2C1 4559059 WWMBCTJTJQTNDI-JRKPZEMJSA-N 316.279 2.779 0 40 DFAB COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)c1 6407360 VRSPWQOLJXAOKS-UHFFFAOYSA-N 316.269 2.554 0 40 DFAB CC(=O)c1c(C)cc(C)c(CN2CCC(C(N)=O)CC2)c1C 26467734 CNBOMXXUFZABTO-UHFFFAOYSA-N 302.418 2.512 0 40 DFAB Cc1nc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)no1 96001186 SSXYQLYIKUQJHQ-CQSZACIVSA-N 317.393 2.982 0 40 DFAB Cn1ncc2c(N3CCc4[nH]c5ccc(F)cc5c4C3)ncnc21 26727648 CQJULSJUNBMRDG-UHFFFAOYSA-N 322.347 2.546 0 40 DFAB O=C(CN(Cc1ccco1)C1CC1)NC(=O)Nc1ccccc1 26928660 DNJIZIVJSUNHSX-UHFFFAOYSA-N 313.357 2.592 0 40 DFAB CC(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1ccccc12 100985895 UBZZELJZQKZTOC-RYRKJORJSA-N 324.405 2.656 0 40 DFAB Cc1cc(Br)ccc1C(=O)N1CCC(CN)CC1 44512429 PIJRJOVAJRFJFG-UHFFFAOYSA-N 311.223 2.568 0 40 DFAB OC1CN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)C1 57838925 DSJKSMBFSLXXTA-UHFFFAOYSA-N 301.415 2.628 0 40 DFAB CNC(=O)[C@H]1CCCN(Cc2ccc3cc(OC)ccc3c2)C1 93360568 GUKZVLSVLZUCOT-KRWDZBQOSA-N 312.413 2.806 0 40 DFAB O=C(NCCNc1ncccc1OCc1ccccc1)C1CC1 95997108 HKTXTDZNMOVIEZ-UHFFFAOYSA-N 311.385 2.599 0 40 DFAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 10017792 MNODDAAFVDGYND-SFHVURJKSA-N 312.413 2.793 0 40 DFAB Cc1ccc(N(C)C(=O)N[C@@H](C)CCn2cncn2)c(C)c1 95964032 KYXIGZKBAIJTKP-AWEZNQCLSA-N 301.394 2.520 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@@H](C)c2c(F)cccc2F)[nH]n1 97237355 HMLDWYQKIUDKMV-QMMMGPOBSA-N 323.299 2.607 0 40 DFAB O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCOCC1 59842901 LYRJMRDTQJKWCA-UHFFFAOYSA-N 308.337 2.967 0 40 DFAB COC(=O)CCCCC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 2106833 IRGCQFZBTVVNSX-BDJLRTHQSA-N 304.390 2.861 0 40 DFAB biogenic Cc1nc(C)c2c(C)c(C(=O)N[C@H](C)[C@@H]3CCCO3)sc2n1 27893286 XVVHEYXOWJTNRJ-SKDRFNHKSA-N 319.430 2.914 0 40 DFAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)c1ccccc1 58419722 AZTLNVSILIJKAX-BDJLRTHQSA-N 321.323 2.582 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1F 2619781 VGKDGABXXONZCF-AWEZNQCLSA-N 322.311 2.951 0 40 DFAB CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)=O)cc1 95404819 RHMCVHVUOZDOGI-IAGOWNOFSA-N 315.417 2.980 0 40 DFAB O=C(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)C1CCCC1 95998177 GTHXYMBRYOQTCP-OAHLLOKOSA-N 310.401 2.566 0 40 DFAB C[C@@H](NC(=O)NCCc1cnn(C)c1)c1ccc(Cl)s1 46597996 HFXHISRACHILRE-SECBINFHSA-N 312.826 2.738 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](SC3=NCCS3)C2=O)cc1C 105513594 YCXQXTLBAMDJLG-GFCCVEGCSA-N 320.439 2.771 0 40 DFAB CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1(C)C 74223281 KWLCCAHEDVDRDJ-RVIYUIFMSA-N 309.410 2.855 0 40 DFAB CCC(CC)[C@@H](C(=O)Nc1ncc(C)s1)N1CCOCC1 95401821 QBKSWEKICVJJCT-ZDUSSCGKSA-N 311.451 2.527 0 40 DFAB Cn1c(=O)c([S@@](=O)C2CCCCC2)c(O)c2ccccc21 100630795 HPBONSLETWERSP-OAQYLSRUSA-N 305.399 2.684 0 40 DFAB CSC1(CNC(=O)N2CC[C@@H]3CCCC[C@H]32)CCOCC1 74738882 QPHSHXJMUHLVMX-UONOGXRCSA-N 312.479 2.873 0 40 DFAB CCOc1ccccc1NS(=O)(=O)c1ccc([C@@H](C)O)cc1 12585233 VWMKCQCJPPRDRW-GFCCVEGCSA-N 321.398 2.939 0 40 DFAB Cc1ccccc1CN(C)C(=O)CN1CCCCCCC1=O 47718034 KWEOFNXPXNSPOF-UHFFFAOYSA-N 302.418 2.746 0 40 DFAB O=C1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)c2ccccc2N1 12919528 CENLDNJXBUDLMB-GOEBONIOSA-N 322.364 2.752 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2C)cc1 19736088 SDEQJMFJVJXYBZ-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1 9318142 KINFPVWJGMJHBZ-LLVKDONJSA-N 324.315 2.791 0 40 DFAB COCCNC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 28575595 INXACMNYIAIHGP-UHFFFAOYSA-N 321.808 2.578 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N(C)C 9486050 FSHVXQXJTLETRN-IUODEOHRSA-N 320.364 2.605 0 40 DFAB CNC(=O)[C@@H](C)CN(C)Cc1cc(C(F)(F)F)ccc1F 93899367 RMPZZKCDVWEBAT-VIFPVBQESA-N 306.303 2.658 0 40 DFAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 71797009 QPXGQQULIYXVQX-QGZVFWFLSA-N 313.401 2.725 0 40 DFAB O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12 6498906 VDBJYKWXUGXBNB-UHFFFAOYSA-N 309.373 2.536 0 40 DFAB aggregator C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@@H](c2ccccc2)O1 65613998 LUKFVSFVLUUJOE-KDOFPFPSSA-N 311.381 2.923 0 40 DFAB Cc1ccccc1NC(=S)NNC(=S)NC1CCCCC1 6632914 NLTCAEGKWKQSEM-UHFFFAOYSA-N 322.503 2.993 0 40 DFAB COc1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1 6661440 XRCYRKSCTHKBFB-UHFFFAOYSA-N 323.381 2.847 0 40 DFAB OCc1ccccc1CNCc1cc(Cl)c2c(c1)OCCO2 71825340 PYJQAQXXMPOKCJ-UHFFFAOYSA-N 319.788 2.893 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCCCc2ccccc2)c1 5860999 LRFUDZFONQQQLJ-UHFFFAOYSA-N 311.381 2.901 0 40 DFAB CC1(C)CC(NC(=O)NCc2cccc(F)c2)CC(C)(C)N1 73685857 CGNDJCIFNQKZJS-UHFFFAOYSA-N 307.413 2.934 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccnc1 7147057 MHZCMWGZEBZVAS-ZDUSSCGKSA-N 316.426 3.000 0 40 DFAB C[C@@H](O)CCN(C)C(=O)NCC1(c2ccccc2Cl)CC1 95978975 OWZSHZZTDHUKTQ-GFCCVEGCSA-N 310.825 2.784 0 40 DFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CC2(Cl)Cl)c1 9750174 VHNQZCQIFJDYCS-NSHDSACASA-N 313.184 2.711 0 40 DFAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccccc1F 7891964 QEDIPGXYWZXUPT-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NCc1ccc(F)cc1 8268024 KZAMPXOCVULETE-JKSUJKDBSA-N 304.409 2.954 0 40 DFAB CN(C)C[C@H]1CN(Cc2cc(Cl)cc3cccnc23)CCO1 70003996 HYRRFQBNDDKVCF-INIZCTEOSA-N 319.836 2.651 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)[C@@H]1COc2ccccc2C1 72296937 XUFHYXBCJOOMIR-ZBFHGGJFSA-N 312.413 2.714 0 40 DFAB CNC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 8424212 SPKQHHDIINJZCP-UHFFFAOYSA-N 307.353 2.709 0 40 DFAB CN(C(=O)NCc1ccncc1)[C@@H]1CCCN(c2ccccc2)C1 72286368 IZLSCUOONAEIOZ-GOSISDBHSA-N 324.428 2.892 0 40 DFAB CCC(=O)N1CCN(C(=O)N[C@@H](C)c2cc(C)ccc2C)CC1 69656922 OXSBKPYMVWHNPG-HNNXBMFYSA-N 317.433 2.628 0 40 DFAB O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cccnc1 22466557 IJYBTVOVRREROY-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB CN(C)c1ncccc1C(=O)NNc1ccccc1C(F)(F)F 70857102 TUHJMEDBOUXGES-UHFFFAOYSA-N 324.306 2.923 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 8923175 SBYFHZIBJXVNJS-ZDUSSCGKSA-N 324.380 2.985 0 40 DFAB CN(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 97140064 WHPXDENRICJGPT-GOSISDBHSA-N 321.428 2.864 0 40 DFAB O=C(Cc1cccc(O)c1)N1CC[C@@H](Oc2ccc(F)cc2)C1 97108004 FGPFHPRAXWVFCA-QGZVFWFLSA-N 315.344 2.754 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117608 XZXFHZWUBLRZMW-ZDUSSCGKSA-N 322.364 2.996 0 40 DFAB C[C@@H](NC(=O)C1CCOCC1)c1nc(-c2cccnc2)cs1 75136652 CQFWWDORJXCJSK-LLVKDONJSA-N 317.414 2.809 0 40 DFAB NC(=O)NC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 89813929 MOKAQSQAFPVGGP-LLVKDONJSA-N 315.339 2.586 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1 24440864 GVFURJGQRZLPPY-UHFFFAOYSA-N 300.314 2.981 0 40 DFAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccn1 35592760 FBGFIQKDAIESAV-UHFFFAOYSA-N 323.308 2.647 0 40 DFAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1cccs1 408714617 STXVTUFPGBDXJE-UHFFFAOYSA-N 313.382 2.999 0 40 DFAB O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 31892756 NTMYKOOMHWMDTJ-UHFFFAOYSA-N 300.719 2.605 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1C 238881859 PKNMHISVSPKTSP-OAGGEKHMSA-N 304.390 2.761 0 40 DFAB Cc1cc(C(=O)NCC(C)(C)CNC(=O)c2coc(C)c2)co1 186809743 VGXMTPMSXVKEJD-UHFFFAOYSA-N 318.373 2.675 0 40 DFAB Cc1ccc(C(N)=O)cc1OC(=O)c1nccc2ccccc12 73298223 DDSYZIFTPNUXSX-UHFFFAOYSA-N 306.321 2.861 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241952 FWXLWFXOBOVSNE-ZBFHGGJFSA-N 306.381 2.507 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2cc(F)ccc2C)c1 42646115 ZHTFXGMVICYLFD-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)C[C@H](C)O1 69200865 GUGSOXJXFLEGRL-KBPBESRZSA-N 314.389 2.573 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 221915371 ODCQRZUYFQXKIT-YJKKSXDHSA-N 324.490 2.893 0 40 DFAB CCCn1nc(-c2ccc(OC)cc2)cc(C(=O)OCC)c1=O 225964512 CNBNKPSJKHFRMG-UHFFFAOYSA-N 316.357 2.506 0 40 DFAB O=S(=O)(Nc1noc(-c2ccsc2)n1)c1cccs1 195570059 FTGKOIBTKYFWTK-UHFFFAOYSA-N 313.385 2.660 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)[C@H](C)c2ccsc2)n1 96414349 CVZXZTIEFUJABU-GFCCVEGCSA-N 317.414 2.700 0 40 DFAB COc1ccccc1-c1nnc(CN[C@H](C)c2ccncc2)o1 97370635 KHUWYWKVMRUPDP-GFCCVEGCSA-N 310.357 2.991 0 40 DFAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C1CCNCC1 95426463 LSNFCNLURLLIAS-CQSZACIVSA-N 318.461 2.867 0 40 DFAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCC(F)(F)F)o1 96430553 ADJGRUVUVLHCHX-UHFFFAOYSA-N 322.283 2.596 0 40 DFAB CC[C@@H](C)c1cc(C(=O)NCCC(=O)N2CCCCCC2)on1 96423633 BPKFHXFTBXQNGB-CYBMUJFWSA-N 321.421 2.711 0 40 DFAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cnccn1 69808923 LZJHGLNMNDRZRQ-UHFFFAOYSA-N 323.755 2.558 0 40 DFAB Cc1ccsc1CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C 69844295 BGVZZKMDONELBK-MJBXVCDLSA-N 320.458 2.710 0 40 DFAB Cc1cnn(CCNCc2ccccc2OCc2ccccn2)c1 69979433 YIYZFMOYDGYJCY-UHFFFAOYSA-N 322.412 2.955 0 40 DFAB Cc1c[nH]c(-c2cnc(C3CCN(c4ccccn4)CC3)cn2)n1 257245060 INYPIZAQRVDOFX-UHFFFAOYSA-N 320.400 2.954 0 40 DFAB c1ccc(CO[C@H]2CSC3(C2)CN(CC2CCC2)C3)nc1 585105015 NTDYHZYWTJLUNS-MRXNPFEDSA-N 304.459 2.958 0 40 DFAB NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1 32277924 HQNQGTXGCBGFQR-OAHLLOKOSA-N 310.357 2.550 0 40 DFAB COc1ccc(CNC(=O)CSc2ccccn2)cc1OC 5622244 AHPNKROTMSWYBR-UHFFFAOYSA-N 318.398 2.507 0 40 DFAB COc1ccccc1Cn1ccnc1SCC(=O)NC(C)C 11027564 WZZQWTPCLCJQLF-UHFFFAOYSA-N 319.430 2.557 0 40 DFAB CC(C)Oc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1 19450564 IKGICFKLGCKPSP-MSOLQXFVSA-N 318.461 2.505 0 40 DFAB COc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 19785109 SIWQQWHQABFEFZ-IBGZPJMESA-N 312.413 2.551 0 40 DFAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 169356447 YGXYDYAYCQSPGI-VZAMPYOESA-N 303.745 2.563 0 40 DFAB 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302.296 2.702 0 40 DFAB COC(=O)c1cc(NC(=O)C2CCCCC2)cc(C(=O)OC)c1 483157 VYLJOVUNXNTUNI-UHFFFAOYSA-N 319.357 2.779 0 40 DFAB COc1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1 520831 QTACDZDFHPDSHR-UHFFFAOYSA-N 324.130 2.663 0 40 DFAB O=C(Cc1csc(-c2ccco2)n1)N1CCO[C@H]2CCC[C@H]21 53384245 UVILYEFLTRZCCG-OLZOCXBDSA-N 318.398 2.726 0 40 DFAB O=C(c1csc(Br)c1)N1CCO[C@@H]2CCC[C@@H]21 42291177 DWKZCFQHODPSRZ-VHSXEESVSA-N 316.220 2.904 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2cccs2)C1 23016629 ALKZOVGLLNQWFW-LBPRGKRZSA-N 318.398 2.510 0 40 DFAB C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1cccs1 54319273 GGPNYIHMJMAJGN-LLVKDONJSA-N 315.398 2.769 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(Cl)cc1 59034942 SQMONWFEKYYBNK-AWEZNQCLSA-N 318.808 2.950 0 40 DFAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccco2)CC1 40494059 TZHCFRHWPGJCTO-CYBMUJFWSA-N 318.421 2.839 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 36627893 RDANHSZFKONERP-HWPZZCPQSA-N 313.309 2.582 0 40 DFAB COCc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 32035664 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CC(C)(C)OC(=O)N1CCC2(CC1)CN[C@H](c1ccoc1)CO2 306145735 OVRQVSRTSKIZRV-AWEZNQCLSA-N 322.405 2.710 0 40 DFAB Cc1cc(C(=O)N(CC(N)=O)C2CCCC2)c(C)n1C(C)C 71821102 VROQQUAXEKYEKZ-UHFFFAOYSA-N 305.422 2.556 0 40 DFAB Cc1ccoc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 71893711 LJJQPXRBWIWYRW-GFCCVEGCSA-N 318.760 2.777 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc2c(C)cccc2s1)C(C)C 9836398 WGYLLYXOJBZVGD-GFCCVEGCSA-N 305.403 2.704 0 40 DFAB COCCn1cc(NC(=O)NC(C)(C)c2ccccc2)cn1 72274638 PZWNDWMLQZALBO-UHFFFAOYSA-N 302.378 2.586 0 40 DFAB Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)cn1 72232483 DJURPJHDZZZHKG-ZDUSSCGKSA-N 302.403 2.917 0 40 DFAB Cn1nccc1CNC(=O)NC1(Cc2ccccc2)CCCC1 97114196 VHWMXPCEKPPHLN-UHFFFAOYSA-N 312.417 2.775 0 40 DFAB COCCN(C)CCCNCc1cccc(Br)c1 97287836 LEKATWVVGUWZCQ-UHFFFAOYSA-N 315.255 2.507 0 40 DFAB CC1(C)C[C@@H](NC(=O)Cc2csc(-n3cccc3)n2)CCO1 72402773 LIXDGJCDFISFRV-LBPRGKRZSA-N 319.430 2.550 0 40 DFAB O=C(COc1ccc(Br)nc1)N1CCCCCC1 84429117 QJZBCYFHABPJIU-UHFFFAOYSA-N 313.195 2.626 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1(C)C 84671008 AFINWELGYNDIDK-OLZOCXBDSA-N 310.438 2.866 0 40 DFAB O=C1COc2c(cccc2C(=O)NC2CC(c3ccccc3)C2)N1 95350996 PLWWBWGQLRBRPC-UHFFFAOYSA-N 322.364 2.694 0 40 DFAB CN1C[C@@H]2CN(c3ncc(Cl)cn3)C[C@@H]2[C@@H]1c1ccccc1 95406825 NADNWASJJTXYGX-KBMXLJTQSA-N 314.820 2.869 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)nc(C)n3C)c(C)o1 95463656 YYKAYDUSEYKDFI-UHFFFAOYSA-N 319.386 2.892 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3c(C)cccc32)C1 95423890 XKHZBQUZNDSQJO-GOEBONIOSA-N 302.418 2.809 0 40 DFAB OC1(CNCc2cc(C(F)(F)F)ccc2Cl)CCOCC1 95435692 MGGFLGWZEZDRTK-UHFFFAOYSA-N 323.742 2.990 0 40 DFAB CC[C@@](C)(NC(=O)[C@@H](C)Sc1ccc(OC)cc1)C(=O)O 95424535 GSXKFLFPGQXQRS-MEBBXXQBSA-N 311.403 2.545 0 40 DFAB NC(=O)N1CCC(N[C@H](c2ccc(F)cc2)C2CCC2)CC1 95421819 GDVBYZJXZLNTSQ-INIZCTEOSA-N 305.397 2.800 0 40 DFAB O=C(NCCc1ccn(-c2cccc(F)c2)n1)[C@H]1CCCS1 95404207 BNRFJFCETYFUMA-OAHLLOKOSA-N 319.405 2.566 0 40 DFAB Cc1c(Br)cccc1C(=O)N(C)C[C@@H](C)C(=O)O 88440283 GOEACRXEPBOWSC-MRVPVSSYSA-N 314.179 2.550 0 40 DFAB CC[C@H](SC)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 95977505 VHDVYZUOEDWLBL-LBPRGKRZSA-N 320.418 2.883 0 40 DFAB C[C@@H](COc1ccccc1F)NC(=O)N(C)Cc1nccs1 74858493 GGMXFKYAZGZXAH-NSHDSACASA-N 323.393 2.891 0 40 DFAB Cc1cc(=O)c(C(=O)N2c3ccccc3N(C)CC[C@H]2C)c[nH]1 89568436 BRHCAGJSOLOTJE-CYBMUJFWSA-N 311.385 2.559 0 40 DFAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)o1 79112436 DLFZLXCQMKZTLH-LLVKDONJSA-N 310.400 2.760 0 40 DFAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1C(C)(C)C 79775587 IBTUGEIHOHZMGG-HNNXBMFYSA-N 317.433 2.972 0 40 DFAB CSc1nc(N2CCCCC2)c2cc(C(N)=O)sc2n1 408617488 CKWFOEGYIYKLLH-UHFFFAOYSA-N 308.432 2.502 0 40 DFAB O=C(NC(=O)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 32924295 SCRKKZRRRHNINN-UHFFFAOYSA-N 300.158 2.916 0 40 DFAB C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1C1CC1 527714669 ZHIRPQKFJMYLTM-YOENINGUSA-N 305.443 2.582 0 40 DFAB CC1(C)[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)[C@H]1C(=O)O 71279855 HEJPDAAGIWXFNE-ZJUUUORDSA-N 317.263 2.881 0 40 DFAB COc1cccc(CN[C@@H](C)c2c(C)nn(C)c2C)c1OC 78553249 BMRBELHTIAKDSB-NSHDSACASA-N 303.406 2.905 0 40 DFAB C[C@H]1C[C@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)O1 79030290 MUDYXKRKPXHHEQ-HZMBPMFUSA-N 300.314 2.648 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2)c1 72227757 SCQVUQWLMTVESB-CABCVRRESA-N 302.761 2.764 0 40 DFAB N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 72227348 HEIHGSLMAMKPIP-ZIAGYGMSSA-N 317.186 2.864 0 40 DFAB Cc1cc(C(=O)NCCN2CCCCCC2=O)c(C)n1C1CC1 32309187 JJQUOAIFQPWHOB-UHFFFAOYSA-N 317.433 2.572 0 40 DFAB NC(=O)[C@H](NCCSc1ccccc1F)c1ccccc1 79098050 HGQDJEVNMWRCIF-OAHLLOKOSA-N 304.390 2.734 0 40 DFAB COc1ccccc1Oc1ccc(C(=O)NC[C@H]2CCCO2)o1 72265320 OCHNLIJCFNUSBM-GFCCVEGCSA-N 317.341 2.989 0 40 DFAB CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CC[C@H](O)CC2)cc1 517557025 ZQSOTXVAXKKDGU-ULQDDVLXSA-N 321.461 2.617 0 40 DFAB CCSc1nc(N)cc(Nc2ccccc2C(=O)OC)n1 49467529 XFGSCCCBAHFHFA-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB CO[C@@H]1C[C@@H]2C[C@@H](NCc3ccc(-n4cncn4)cc3)C[C@@H]2C1 562968279 RDYVIPCGGQHDFF-LYEGSJOYSA-N 312.417 2.561 0 40 DFAB O=C(C[C@H]1CCOc2ccccc21)NCC1(O)CCCCC1 75209444 MJBAYVWCBHXXNJ-CQSZACIVSA-N 303.402 2.754 0 40 DFAB CCOCCOc1ncc(NC(=O)[C@@](C)(CC)OCC)cc1C 225893362 VLJXIFVIQZAASA-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB Cc1ccc2cnn(CCC(=O)Nc3c(C)nn(C)c3C)c2c1 40759139 HCMYTKIZTNNHOV-UHFFFAOYSA-N 311.389 2.724 0 40 DFAB CCOCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225410288 XABKEMWELBKHSU-CQSZACIVSA-N 305.418 2.876 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@@H](C)O)n1 80628398 LLFQEZLSHYEJPN-MGPQQGTHSA-N 311.426 2.539 0 40 DFAB COc1ccc(O[C@H]2COCCN(C(=O)CC(C)(C)C)C2)cc1 85435991 FSTGLSIJKRGCAL-MRXNPFEDSA-N 321.417 2.738 0 40 DFAB biogenic,in-vitro O=C(NCCOC1CCCCCC1)NCCc1cccnc1 96411410 QQMBDMJFNZUBNM-UHFFFAOYSA-N 305.422 2.663 0 40 DFAB CCn1ncnc1CNCc1c(F)cccc1OC(F)(F)F 330032910 UNLBETXSLBYQTO-UHFFFAOYSA-N 318.274 2.626 0 40 DFAB CC(C)n1cc(NC(=O)NCCOc2ccc(F)c(F)c2)cn1 96447239 KWXIDSOCNGXFOQ-UHFFFAOYSA-N 324.331 2.943 0 40 DFAB COCc1cncc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 96189290 YXKRLSWECGUPPH-UHFFFAOYSA-N 321.380 2.908 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 96053876 IBSIUYXHEMSVNE-HDICACEKSA-N 311.404 2.785 0 40 DFAB FC(F)COc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 96493531 LWZRFOSBIHKTHV-WQVCFCJDSA-N 324.371 2.773 0 40 DFAB CSC(C)(C)CNC(=O)Nc1cccc([S@](C)=O)c1 96434875 YOIXHZANMFHUFQ-LJQANCHMSA-N 300.449 2.687 0 40 DFAB C[C@@H](COCC(F)(F)F)NC(=O)[C@H]1CSc2ccccc21 96411212 AUNWIVMBFUZYKD-ONGXEEELSA-N 319.348 2.960 0 40 DFAB COC(=O)CCN(C(=O)c1cscn1)c1ccccc1C 96503014 MMCSKRCPLAPUMZ-UHFFFAOYSA-N 304.371 2.661 0 40 DFAB C[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)[C@@H](C)CO 96452272 MVOYAKYNZMNOSX-QWRGUYRKSA-N 310.369 2.895 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)CC(c2cccc(F)c2)=NO1 96192596 HKPHYLDRXSESME-CQSZACIVSA-N 305.334 2.804 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2ccsc2)nc(C)n1 257282746 OVCMGQSMYYFOTQ-ZDUSSCGKSA-N 302.403 2.866 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2cccnc2OC)ccn1 257297217 RGJDHQAGOYXXIX-CQSZACIVSA-N 312.373 2.504 0 40 DFAB CC(C)c1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cs1 257219450 DGVHMQRLMDVQHN-ZDUSSCGKSA-N 305.403 2.808 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)on1 257222619 DUARUXIISZDIMO-RDJZCZTQSA-N 305.422 2.935 0 40 DFAB CN(C)C(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260658794 MTRVLIPQGIWVEE-CORIIIEPSA-N 317.458 2.863 0 40 DFAB CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)Nc1cc(C(C)C)on1)C[C@@H]3C2 286922229 BLMZKGFEFKILJI-UQXKVLDMSA-N 305.378 2.685 0 40 DFAB CCc1cnc(NC(=O)N[C@@H](CCCO)c2ccccc2)o1 585140236 AQNNUDAASIDYPR-AWEZNQCLSA-N 303.362 2.872 0 40 DFAB Cc1ccc(CN2Cc3ccnn3[C@@H](COc3ccccn3)C2)o1 585112461 PWVZIYUJDPUXQP-MRXNPFEDSA-N 324.384 2.815 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]1c1cccs1 48366497 UUYVOVQQTGITSY-YPMHNXCESA-N 318.398 2.823 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)nc2)on1 57214725 AMNXCPPKLIZOIS-CQSZACIVSA-N 312.373 2.930 0 40 DFAB C[C@@H](O)CN(C)C(=O)N[C@H](C)Cc1ccc2ccccc2c1 95983873 ADAFYRQVUOGTSQ-ZIAGYGMSSA-N 300.402 2.793 0 40 DFAB CN(C)CCCN1c2ccccc2C[C@@H](C(N)=O)c2ccccc21 5333835 CFSATXOJZPIVKJ-QGZVFWFLSA-N 323.440 2.901 0 40 DFAB O=C(CCCn1ccnc1)N1CCc2[nH]c3ccccc3c2C1 19656619 YQLZOKDRIDKZPL-UHFFFAOYSA-N 308.385 2.730 0 40 DFAB CC(C)(C)c1n[nH]cc1CN1CC[C@@]2(C)NC(=O)CCCC[C@@H]12 19713389 ZZGDIQXQSRZMCX-RDTXWAMCSA-N 318.465 2.730 0 40 DFAB C[C@@H](N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 165393308 IVMHTMVTNZHXNC-SECBINFHSA-N 307.781 2.534 0 40 DFAB O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccccc1 151120757 GLVCMHMBPZDAIL-UHFFFAOYSA-N 324.380 2.848 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cccnc1SC 515935 GMICFMXIDBRUOK-UHFFFAOYSA-N 302.355 2.842 0 40 DFAB CCn1nccc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 253370397 QFTVYFGYGIYQGL-MISYRCLQSA-N 324.472 2.903 0 40 DFAB CCSCC(=O)N1CC[C@@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056223825 DWEQBAZCHSFUOD-BDJLRTHQSA-N 322.405 2.508 0 40 DFAB CN(C)C1CC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)C1 1565545464 GJNMDYWWBGAXEJ-UHFFFAOYSA-N 322.399 2.840 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc3cnccc3s2)C1 2298182287 ZAEMLCOPKFYPFT-LLVKDONJSA-N 318.446 2.822 0 40 DFAB Cc1csc(C(=O)Nc2cc(-c3ccco3)nn2CCO)c1 42384707 ANKMDOVSSBXXDO-UHFFFAOYSA-N 317.370 2.758 0 40 DFAB O=C(NCc1nc2ccccc2s1)[C@H]1Cc2ccccc2O1 31098927 USOTWIRITBNNHK-CQSZACIVSA-N 310.378 2.916 0 40 DFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 65478 LEVARYGISKRWAM-ZDUSSCGKSA-N 318.764 2.784 0 40 DFAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 508225 BGTZSQTUUKHIRD-XJRPMAQBSA-N 303.745 2.747 0 40 DFAB COc1ccc(C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1cc(C)on1 28886940 KKIGTTYVSKQQDH-CHWSQXEVSA-N 317.389 2.978 0 40 DFAB CCCC1(CCC)NC(=O)N(C[C@H](O)c2ccccc2F)C1=O 28912442 BEGUGIKHPWHOAB-AWEZNQCLSA-N 322.380 2.750 0 40 DFAB CCCCCC[C@@H](C)C(S(=O)(=O)CC)S(=O)(=O)CC 1679096 HZMXJVJBVGTEOY-GFCCVEGCSA-N 312.497 2.788 0 40 DFAB Cc1cc(NC(=O)NCCCN2CCc3ccccc3C2)no1 31662738 FXVIKOKZPSZSBZ-UHFFFAOYSA-N 314.389 2.553 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cn1ccccc1=O 40553184 HLAFOVVHICXZLP-CQSZACIVSA-N 314.385 2.580 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)n1 40556016 DYSAKOHYZZAQGJ-NSHDSACASA-N 304.325 2.929 0 40 DFAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)OCC)cc1 6779193 ARRNBBUESWXNBZ-LLVKDONJSA-N 314.407 2.722 0 40 DFAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccccc1 7396159 XPFBJGFWIRDHRM-UHFFFAOYSA-N 311.337 2.831 0 40 DFAB C[C@H](CC(=O)Nc1ccc(Br)cc1)n1cncn1 7616325 FGIPRSWNDSGPSU-SECBINFHSA-N 309.167 2.630 0 40 DFAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(OC)cc1 8518287 AQHVKEZEZBRVOY-CQSZACIVSA-N 324.402 2.730 0 40 DFAB CC(C)c1ccc(S(=O)(=O)[C@@H](CN)c2cccnc2)cc1 11805401 JNNBBZQONNZHHM-INIZCTEOSA-N 304.415 2.679 0 40 DFAB CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21 10338781 IOYKUOMGOHTGBY-UHFFFAOYSA-N 300.745 2.826 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635489 OGDIXAHVHSKMKS-MJSCVDMRSA-N 308.466 2.558 0 40 DFAB O=C(C[C@H]1C=CCC1)NCCNc1ncnc2sccc12 32928045 LWCYIFXMIGATQZ-NSHDSACASA-N 302.403 2.576 0 40 DFAB COc1ncccc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 46468138 IKPNWDVANSZMNR-ZDUSSCGKSA-N 317.393 2.523 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)C1 57279904 OCOVBJMNMFPHGV-PXAZEXFGSA-N 318.442 2.772 0 40 DFAB Cc1nc2ccccc2c(=O)n1-c1ncccc1[C@@H]1CCCN1C 519688 OROOVPKHQMEVKD-KRWDZBQOSA-N 320.396 2.856 0 40 DFAB biogenic Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3 540559 PUOFENAWFXNNIH-UHFFFAOYSA-N 303.412 2.779 0 40 DFAB aggregator COC(=O)c1ccc(NC(=O)c2cccnc2SC)cc1 515912 YTPNVAJJSGFBIQ-UHFFFAOYSA-N 302.355 2.842 0 40 DFAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1C[C@@H]1CCCO1 550808 BFNFPRTUBJPXGD-JTQLQIEISA-N 303.749 2.710 0 40 DFAB O=c1cc(CN(Cc2cccc(F)c2)C2CC2)nc2ccccn12 53231915 JLGPAVBYMJMFEG-UHFFFAOYSA-N 323.371 2.998 0 40 DFAB Cc1c(Br)c(-c2nnc(-c3ccccn3)o2)nn1C 2803658 CDRXBLMWCIRCKD-UHFFFAOYSA-N 320.150 2.603 0 40 DFAB Cn1nc(C(=O)OCc2ccc(-c3ccccc3)cc2)ccc1=O 22612963 AURNFZFSYINJGZ-UHFFFAOYSA-N 320.348 2.804 0 40 DFAB CC/C=C(\C)C(=O)N(C)C1CCN(CCc2ccncc2)CC1 103932285 INYYBXAMMKTYHP-FZSIALSZSA-N 315.461 2.903 0 40 DFAB CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2)ccc1F 22844054 SFRMUQCRNBXWDB-UHFFFAOYSA-N 308.334 2.585 0 40 DFAB Cc1ccc(C(=O)CCC(=O)N(CCC(=O)O)C2CC2)cc1C 89643177 WHRBIXVZXCKHEM-UHFFFAOYSA-N 317.385 2.732 0 40 DFAB O=C(O)c1ccccc1SCN1C(=O)c2ccccc2C1=O 984146 BDKSGMRXZLKKTN-UHFFFAOYSA-N 313.334 2.731 0 40 DFAB C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)CCC[C@H]1C 105659772 WRHXZMCZFCSTGI-MDZLAQPJSA-N 302.374 2.572 0 40 DFAB CN(Cc1ccsc1)C(=O)CCNC(=O)Nc1ccccc1 24384361 HQDWQXJUEFZBFF-UHFFFAOYSA-N 317.414 2.918 0 40 DFAB CCOc1ccccc1CS(=O)(=O)Cc1cc(OC)ccn1 106933081 NHAIWZLNPDJYEC-UHFFFAOYSA-N 321.398 2.604 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 25358391 AUHAPVLZNRHJMF-CVEARBPZSA-N 323.331 2.544 0 40 DFAB COc1ccc(Cl)cc1C(=O)Oc1ccc(C(N)=O)cc1 25972228 ZWTCWTJRNGQNHW-UHFFFAOYSA-N 305.717 2.667 0 40 DFAB C[C@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 108461155 VYBHYUBJEUMASB-DUPGQFARSA-N 308.447 2.897 0 40 DFAB C[C@H]1CN(c2ccccc2CNCCc2cccnc2)CCO1 58112867 XLNONHPVJPKKNA-INIZCTEOSA-N 311.429 2.639 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(F)c2)C[C@@H](C)O1 58210718 URONCKOVQFAPRK-VBQJREDUSA-N 320.408 2.540 0 40 DFAB O=C(/C=C/c1c(Cl)nc2ccccn12)NCc1ccoc1 58247303 ZSAZMSVMVSYCQI-SNAWJCMRSA-N 301.733 2.910 0 40 DFAB CCC[C@@H]1CCc2nc(NC(=O)CCNC(C)=O)sc2C1 58345547 ANKJGXDZAYAKLP-LLVKDONJSA-N 309.435 2.513 0 40 DFAB COc1ccc(CC(=O)NCCc2cc(F)cc(F)c2)cc1 58331806 XSMGVFCCRCHQIX-UHFFFAOYSA-N 305.324 2.875 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CCc2c(C)noc2C)c1 7471875 OMAUBVLQNFKVFP-UHFFFAOYSA-N 316.357 2.958 0 40 DFAB COc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12766499 RLPATBIDSWMSEI-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 48258435 KZULNUWGAWCDDJ-BETUJISGSA-N 319.405 2.985 0 40 DFAB Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1F 12819126 CUNQAWLGRMYHJQ-UHFFFAOYSA-N 311.353 2.893 0 40 DFAB O=C(CSc1ncnc2nc[nH]c12)c1ccc(Cl)cc1 13115160 XNVNMMXIZHBCAD-UHFFFAOYSA-N 304.762 2.981 0 40 DFAB CCCc1cc(=O)[nH]c(SC[C@H]2COc3ccccc3O2)n1 16045279 BKUIQXPINRCMCD-GFCCVEGCSA-N 318.398 2.655 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccccc1 7751119 QNHPCGMZLVPELH-OAHLLOKOSA-N 310.397 2.992 0 40 DFAB COc1ccccc1CC(=O)NC[C@H]1OCCc2ccccc21 5046911 BAZJMKNPKPMITL-GOSISDBHSA-N 311.381 2.668 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2 62090016 KLVJPGIXBCVWPH-UHFFFAOYSA-N 308.385 2.742 0 40 DFAB biogenic C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N(C)Cc1ccccc1 69415061 QYRLEVZPKCXKHF-LSDHHAIUSA-N 317.433 2.618 0 40 DFAB CCOc1ncnc2c1CN(Cc1cccc3cccnc13)CC2 65466716 AKQWTCRWLGUJJN-UHFFFAOYSA-N 320.396 2.982 0 40 DFAB Cc1csc([C@H]2CN(c3ncnc4ccccc34)CCO2)n1 65463529 DLTMWEQBWNTOCJ-CQSZACIVSA-N 312.398 2.973 0 40 DFAB COc1cccc(C(=O)Nc2c[n+](-c3ccc(C)cc3)no2)c1 6480130 QCAAZBBNDPWLIQ-UHFFFAOYSA-O 310.333 2.521 0 40 DFAB CCc1noc([C@@H](C)N(C)Cc2ccc(OC)c(OC)c2)n1 69460986 STAIHNBKAHKBBK-LLVKDONJSA-N 305.378 2.842 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(F)cc2)c1C 14166171 TXCZBHMIMSZZGO-UHFFFAOYSA-N 318.348 2.829 0 40 DFAB O=C(NCCn1ccnc1)C1(c2cccc(C(F)(F)F)c2)CC1 65625917 BOIRFEPFKUNZEB-UHFFFAOYSA-N 323.318 2.750 0 40 DFAB Cn1cc(C(C)(C)NC(=O)c2ccc3[nH]c(=S)oc3c2)cn1 81453614 REBZUQZXZTXBDZ-UHFFFAOYSA-N 316.386 2.889 0 40 DFAB Cc1ccc(O)c(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1 5679414 WMPPDKRVDVTZDD-CYBMUJFWSA-N 313.353 2.909 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cncn2)cc1 14704284 DVRZORLNWKDZRE-MRXNPFEDSA-N 320.352 2.521 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 8250343 RILBXZMEQQJWEL-SNVBAGLBSA-N 308.451 2.743 0 40 DFAB O=S(=O)(NCc1ccccn1)c1ccc(C(F)(F)F)cc1 7059614 JFYRZYVKCFIGED-UHFFFAOYSA-N 316.304 2.579 0 40 DFAB O=C(NCCC1=CCCCC1)N1CCC(n2cncn2)CC1 69663295 CLLQDXJJBBNDGD-UHFFFAOYSA-N 303.410 2.515 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CO[C@@H]1CCC[C@H](C)C1 71902862 YAZFPYPWLVLPNH-GOEBONIOSA-N 307.438 2.752 0 40 DFAB CCc1nc2n(n1)C[C@H](NCc1cc(-c3ccccc3)no1)CC2 69739539 LPEBSEBOAUGAOV-CQSZACIVSA-N 323.400 2.600 0 40 DFAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H]1Cn1cccn1 69951512 YGRMAWYBXZXDHU-FUHWJXTLSA-N 309.413 2.994 0 40 DFAB Cc1cccc(Oc2ccccc2CNC(=O)[C@H]2CCC(=O)N2)c1 69918392 IEXFCSCCSZIQCX-MRXNPFEDSA-N 324.380 2.682 0 40 DFAB Cn1ccc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)n1 89756679 GOSQBOBOIZSLPO-CYBMUJFWSA-N 312.373 2.988 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCc2[nH]ncc21 89764898 LATRUHGUOMYCNB-ZIAGYGMSSA-N 317.433 2.828 0 40 DFAB NC(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 89768289 GLSQSOHERFUKIO-UHFFFAOYSA-N 317.295 2.658 0 40 DFAB COc1ccccc1CNC(=O)c1cc(Br)c[nH]1 8855873 UBFKADZNGTVHAV-UHFFFAOYSA-N 309.163 2.716 0 40 DFAB Cc1nn(C)c(Cl)c1CN1CCO[C@@H](c2ccccc2)C1 84012389 PTIFGFLCSYJLDU-OAHLLOKOSA-N 305.809 2.955 0 40 DFAB C[C@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)C1CCC1 89894230 NMBSWTOUVFKSJR-LBPRGKRZSA-N 324.446 2.584 0 40 DFAB COC(=O)c1cnc(NC(=O)COc2cccc(C)c2C)s1 8923816 ORFHZMFSKLVZOX-UHFFFAOYSA-N 320.370 2.564 0 40 DFAB CC[C@H](C)c1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)on1 89942349 QBXFIZWKUOYSPD-AZHAFVHUSA-N 304.390 2.876 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2noc(-c3ccccc3)n2)cn1 72255173 JJADURABWZZPMX-HNNXBMFYSA-N 309.373 2.807 0 40 DFAB CC(C)Cc1nc(CSc2nnc(C(F)F)n2C)no1 96008366 XVBRMIONSGQNQN-UHFFFAOYSA-N 303.338 2.627 0 40 DFAB CCn1ncc2c1CCC[C@@H]2NCc1cnc(N(C)C)s1 72298467 DLCZZZTXWCXPQY-ZDUSSCGKSA-N 305.451 2.593 0 40 DFAB O=C(Nc1cccc(Cl)c1)C1CCN(c2ncccn2)CC1 9485257 ZAXGBZRXMIANOD-UHFFFAOYSA-N 316.792 2.985 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2nnc(Cc3ccccc3)o2)cn1 71799199 CPTHYKOSKYKNKU-INIZCTEOSA-N 323.400 2.731 0 40 DFAB CSc1cccc(N(C)C(=O)CNC(=O)c2ccsc2)c1 97095768 FJBSUTABBXIOKW-UHFFFAOYSA-N 320.439 2.863 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c[nH]1 96487697 FEKGHZMLQLLHDQ-OAHLLOKOSA-N 300.333 2.630 0 40 DFAB CC(=O)Nc1cc(NCC(C)(C)S(C)(=O)=O)ccc1Cl 96485888 WIWVRJYRLGFBMJ-UHFFFAOYSA-N 318.826 2.534 0 40 DFAB C[C@H](C(=O)O)[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 97018294 UMCKBUBBVDEMFN-SJCJKPOMSA-N 315.344 2.946 0 40 DFAB CCn1c(S[C@@H](C)c2nc(COC)no2)nc2cnccc21 97085522 BVYKLHHWZXVTTR-VIFPVBQESA-N 319.390 2.834 0 40 DFAB COc1ccc(CN[C@H](C)CN2CCCC2=O)c2ccccc12 71810449 SNAIWMCXVMBDCD-CQSZACIVSA-N 312.413 2.949 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cn1 71830769 VBCLEQZMFGTIMD-ZOBUZTSGSA-N 301.434 2.867 0 40 DFAB C[C@H]1CCCC[C@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 97107900 BXBHRVRXMFTSDV-HOTGVXAUSA-N 324.465 2.651 0 40 DFAB NC(=O)[C@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1 97146898 OAIBBDVDUFTPEL-OAHLLOKOSA-N 312.300 2.528 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)N[C@H]1CCc2ccccc21 72331070 ZKVGEKVEPQQTEO-SFHVURJKSA-N 323.392 2.884 0 40 DFAB O=C(CN1CCCCCCC1=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 84393472 FHSASMSAZNXERP-JKSUJKDBSA-N 318.392 2.591 0 40 DFAB Cn1cc(NC(=O)C(=O)Nc2ccccc2-c2ccccc2)cn1 84318645 LUDNKAMHQSIADL-UHFFFAOYSA-N 320.352 2.664 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)Nc1cc(CC(C)(C)C)nn1C 76069966 FYUBIDAPOYEUEE-LBPRGKRZSA-N 324.469 2.927 0 40 DFAB COc1c(C(=O)N[C@@H](C)Cc2ccccc2Cl)c(C)nn1C 95395639 URZDDYNRWJFLEH-JTQLQIEISA-N 321.808 2.752 0 40 DFAB O=C(NCc1ccncc1)N[C@H]1CCC[C@@H]1Oc1ccccc1 95396232 ZVGBWSZSEHSGHG-IRXDYDNUSA-N 311.385 2.881 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)c(C)c1 95454793 HIVAPRGCUIUATD-UHFFFAOYSA-N 311.385 2.721 0 40 DFAB Cc1ccc(C)c(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 95458167 ZJTPBRYBIOPTEP-WMLDXEAASA-N 304.390 2.763 0 40 DFAB CC(C)Oc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2 78783665 ZJSXXFWBBRICRY-UHFFFAOYSA-N 310.353 2.970 0 40 DFAB Cc1c(C(=O)N2CC(n3ccnn3)C2)oc2ccc(Cl)cc12 95997923 JWVQKJMSNSHRIO-UHFFFAOYSA-N 316.748 2.683 0 40 DFAB O=C(O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(F)cc1 95969572 MPXLETYGUWTTAF-MJBXVCDLSA-N 317.316 2.854 0 40 DFAB Cc1occc1CNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 78868973 VRAXPIOBJVZUJL-KBPBESRZSA-N 322.405 2.898 0 40 DFAB CSC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 74326971 HMOMSRNFTQEDGU-CHWSQXEVSA-N 318.446 2.984 0 40 DFAB CCN1CC[C@@H](N(C)C(=O)Nc2ccnn2CC(C)C)[C@H](C)C1 78954282 AOGPNVPHSVUWBT-HUUCEWRRSA-N 321.469 2.733 0 40 DFAB COCC(C)(C)NC(=O)Cc1ccc(Br)s1 74586168 LYNDPDYXBZTCDV-UHFFFAOYSA-N 306.225 2.594 0 40 DFAB COC(=O)[C@@H]1CN(C(=O)c2cscc2C)c2ccccc21 176630058 VOEKGEGFQVMMSO-GFCCVEGCSA-N 301.367 2.974 0 40 DFAB CN(CCCOc1ccc(F)cc1)[C@@H](C(N)=O)c1ccccc1 30268683 OYFONWYZWGRVEE-QGZVFWFLSA-N 316.376 2.753 0 40 DFAB CCN1CCO[C@@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 31961921 MDPIBSWCGDZSOV-OALUTQOASA-N 313.397 2.934 0 40 DFAB Cc1c(F)cccc1NC(=O)CNC(=O)Oc1ccccc1 33644090 ADRPBSOHCXWKEX-UHFFFAOYSA-N 302.305 2.861 0 40 DFAB CNC(=O)c1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1 75899532 QRNBWOKFIIFWIK-SFHVURJKSA-N 312.413 2.602 0 40 DFAB C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C)N1CCOCC1 126747196 WLBWSIIYVDGWAJ-XDQVBPFNSA-N 308.388 2.806 0 40 DFAB O=C(NCCN[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 129211337 CYDAGAGUCKAIHU-WDEREUQCSA-N 304.312 2.720 0 40 DFAB COc1cccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c1 36635605 AFVNZHXRRPHRLM-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB O=C(NC[C@]1(O)CCCc2occc21)c1ccc(Cl)s1 1565522310 MBKBRNWJCYEKBH-CQSZACIVSA-N 311.790 2.948 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](CN)[C@@H]2c2cccc(F)c2)cc1 218631103 PSUGTCKXGIBADH-IKGGRYGDSA-N 319.401 2.649 0 40 DFAB O=C(Cn1ccccc1=O)N1CCC[C@H]1c1cccc(Cl)c1 46800587 UAERCKRIEVOQPQ-HNNXBMFYSA-N 316.788 2.865 0 40 DFAB CN(Cc1cccs1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 77733683 LRPFIXGCCIQDDX-GFCCVEGCSA-N 324.446 2.964 0 40 DFAB COc1cc(C)c(Br)cc1C(=O)CCC(=O)O 88078023 ZHIRTDWNIYCATB-UHFFFAOYSA-N 301.136 2.814 0 40 DFAB CC[C@H](N[C@H](C)c1nnnn1C1CCCCC1)[C@H]1CCCO1 225548224 NBPKDRXBNNCDJD-VHDGCEQUSA-N 307.442 2.787 0 40 DFAB CN1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 45965630 GNTNQAHRIONDFG-UHFFFAOYSA-N 300.427 2.706 0 40 DFAB COC(=O)CCCNC(=O)Cc1coc2cc(C)c(C)cc12 49985099 VVNNDLMBFWJVRN-UHFFFAOYSA-N 303.358 2.662 0 40 DFAB Cc1cccc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)n1 40804327 CUAAZDOWRXJHJO-MRXNPFEDSA-N 313.382 2.832 0 40 DFAB CCc1sc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1C 192998637 YGBMCRGTMBNSLE-UHFFFAOYSA-N 321.402 2.887 0 40 DFAB CCc1nnc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)s1 226747543 AOLDZDGUZLJIPN-CYBMUJFWSA-N 322.415 2.684 0 40 DFAB O=C(NCC1CCCCC1)c1cccc(CN2CCOCC2)c1 224345565 PGSYDJVEQHYVNU-UHFFFAOYSA-N 316.445 2.829 0 40 DFAB CN(C)[C@H]1CC[C@@H](NC(=O)c2ncoc2-c2ccc(F)cc2)C1 225389152 AUPQPWRDQWBHAS-KGLIPLIRSA-N 317.364 2.693 0 40 DFAB Fc1ccc([C@@H]2OCC[C@@H]2NCc2noc(C3CC3)n2)cc1F 192133419 ZOIOJVDSZDBOEX-ZFWWWQNUSA-N 321.327 2.845 0 40 DFAB O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1ccoc1)C2 96224512 ZAVHULOHDMRTHV-SFHVURJKSA-N 311.385 2.694 0 40 DFAB C[C@@H](CCc1cccc(F)c1)NCC1(N(C)C)CCOCC1 96477634 AHGCTYJDCSOIDZ-HNNXBMFYSA-N 308.441 2.847 0 40 DFAB CCCCS[C@H](C)C(=O)Nc1cnn(-c2ncccn2)c1 96414104 GWKCYFVRBJXVFC-LLVKDONJSA-N 305.407 2.523 0 40 DFAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1ccccn1)CCO2 96160077 SEJBOPXWXUMIMM-QAPCUYQASA-N 318.417 2.518 0 40 DFAB CN1CC[C@]2(CN(Cc3ccco3)C[C@H]2c2ccccc2)C1=O 96201838 PCAKCTGAXYCKBW-PKOBYXMFSA-N 310.397 2.728 0 40 DFAB O=C(C1CCC1)N1CCCC2(CCN(C[C@H]3CCCO3)CC2)C1 96217512 SUJQHTLBNIRBOR-QGZVFWFLSA-N 320.477 2.670 0 40 DFAB CC(C)(C)[C@@H](NC(=O)CNC(=O)c1cccs1)C(F)(F)F 96443772 CICNMYNITVLQOW-LLVKDONJSA-N 322.352 2.571 0 40 DFAB Cc1cc(CC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)no1 96475384 HFQFRZKVTNOTKS-INIZCTEOSA-N 316.401 2.673 0 40 DFAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cncnc2C)ccn1 257335284 YJMKIAKOCHBYKQ-MRXNPFEDSA-N 310.401 2.726 0 40 DFAB COC(=O)c1cc(Cl)c(I)cc1F 575712563 KCYGUTMSQLOERE-UHFFFAOYSA-N 314.481 2.870 0 40 DFAB CO[C@@H]1CN(C(=O)c2ccon2)CC[C@@H]1Cc1ccccc1C 585279354 KPBRQJUOJSPDHO-NVXWUHKLSA-N 314.385 2.703 0 40 DFAB CC(C)NC(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 48104395 UTYHBJAASQEEOI-UHFFFAOYSA-N 312.373 2.542 0 40 DFAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCCO1 54084722 USKABCIMCDCZLR-QGZVFWFLSA-N 313.401 2.647 0 40 DFAB COC(=O)c1cc(F)ccc1COC(=O)Cc1c(C)noc1C 65539677 HFTVFSZEZOFCCV-UHFFFAOYSA-N 321.304 2.503 0 40 DFAB COC(=O)[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cc(F)ccc1F 65529798 GBMBJKFOWZAJCZ-BMIGLBTASA-N 309.312 2.651 0 40 DFAB COc1cccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)c1 206584 JLMBUNFOTWWCCI-ZSOIEALJSA-N 323.304 2.768 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439472 ZCWLQILRMFVKCP-IZZDOVSWSA-N 311.337 2.974 0 40 DFAB O=C(NC(=S)NNc1ccccc1)c1ccccc1Cl 14257570 YDOAMQUXVYVADY-UHFFFAOYSA-N 305.790 2.971 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 19208907 PUXZIJVCDWOJGP-OAHLLOKOSA-N 317.385 2.848 0 40 DFAB CNc1cc([C@@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 19592145 HNWPPZBAXIBCAN-HNNXBMFYSA-N 305.385 2.823 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(Nc2ccncn2)CC1 1888853581 KLEMYFCEQTZYGI-UHFFFAOYSA-N 316.792 2.847 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(CCc3ccccc3)C2)nc1 1889128486 SNTGINRJRKYMSP-SFHVURJKSA-N 310.445 2.928 0 40 DFAB Cc1cc(NC(=O)[C@@H](Sc2nnc(C)s2)C(C)C)no1 24978912 MIPRTNJCIFZVGA-JTQLQIEISA-N 312.420 2.898 0 40 DFAB Cc1nc(CN2CCN(Cc3ccncc3F)[C@@H](C)C2)cs1 2086884800 KRQPMXVVDJCQCD-LBPRGKRZSA-N 320.437 2.692 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CC(Nc3cccnn3)C2)cc1 618255922 KTGKGNDQHMOBQG-UHFFFAOYSA-N 310.401 2.711 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)OCO2 40108276 ZYJIEGLFLIZZHX-GXTWGEPZSA-N 305.374 2.740 0 40 DFAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100123690 FGBXCVAUZMVXQU-DSIZOQBWSA-N 320.392 2.826 0 40 DFAB COc1ccc(OCCOC(=O)c2ccc(C)c(O)c2)cc1 10980189 VGGHDTZYMJXKOJ-UHFFFAOYSA-N 302.326 2.945 0 40 DFAB O=C(NCc1cc2ccccc2[nH]1)c1cccc2c1OCCO2 58900500 YJTDBXKSVXREKB-UHFFFAOYSA-N 308.337 2.869 0 40 DFAB O=C(NCN1C(=O)c2cccc3cccc1c23)c1ccncc1 1463155 FENFKWSCDYSBJE-UHFFFAOYSA-N 303.321 2.583 0 40 DFAB O=C(CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc2cccnc12 100794190 LEYMVMZDHNLFJQ-AEGPPILISA-N 321.380 2.502 0 40 DFAB Cc1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n1 2762904 SWROZSSDXPEMNV-UHFFFAOYSA-N 304.297 2.614 0 40 DFAB CN(C(=O)CCNC(=O)CSC(C)(C)C)c1ccccc1 40534390 YYHFSQRSDHVZDO-UHFFFAOYSA-N 308.447 2.687 0 40 DFAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)c2nnn[nH]2)c1C 4169445 CIWTVNQVIAPPAR-OAHLLOKOSA-N 321.384 2.782 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CC 4860755 AUFYZCKAZLAPKZ-JTQLQIEISA-N 322.434 2.873 0 40 DFAB CCCN(CCC)[C@H]1Sc2ccc(C(=O)OC)cc2NC1=O 216620 CPAXLRWITRPWPS-HNNXBMFYSA-N 322.430 2.966 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1F 7230543 HHQCYHGMBUYNRV-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)C(F)(F)F 7387608 YAJWOAHNPQTDPI-UHFFFAOYSA-N 308.687 2.677 0 40 DFAB Cc1nc(SCc2nc3ccsc3c(=O)[nH]2)nc(C)c1C 16247823 VRKIZKCDQWXQIY-UHFFFAOYSA-N 318.427 2.992 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC1(Cl)Cl 32722714 SCSMYGLPYNYRNO-VIFPVBQESA-N 302.157 2.568 0 40 DFAB O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1 2648835 OLHWIUDELHGBLY-UHFFFAOYSA-N 315.200 2.736 0 40 DFAB Fc1ccccc1-n1c(S)nnc1CCN1CCCCC1 32919402 GBUMQVXXMSSNJF-UHFFFAOYSA-N 306.410 2.724 0 40 DFAB O=C(NC[C@H]1CCOC1)c1csc(Cc2ccccc2)n1 41365783 WUTVNDYOSWJABL-CYBMUJFWSA-N 302.399 2.500 0 40 DFAB CCn1c(CNS(=O)(=O)c2cccs2)nc2ccccc21 61035929 SQBHYXVDUZLARY-UHFFFAOYSA-N 321.427 2.596 0 40 DFAB c1ccc2nc(Nc3ccc(N4CCOCC4)nc3)cnc2c1 41873375 QLGJGCPGLNRHPH-UHFFFAOYSA-N 307.357 2.605 0 40 DFAB CCOc1cccc2c1OCC(C(=O)Nc1nnc(C)s1)=C2 42219641 KRPGTULKGHORMF-UHFFFAOYSA-N 317.370 2.660 0 40 DFAB O=C(Nc1ccccc1)c1cccc(CN2CCC[C@@H](O)C2)c1 54152599 SUPIDECVIWKQSH-GOSISDBHSA-N 310.397 2.896 0 40 DFAB CC(C)Cc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1 54515718 XMGKZVJTDCXFMW-CQSZACIVSA-N 300.406 2.744 0 40 DFAB Cc1ccsc1CN(C)CN1C(=O)C(=O)c2ccccc21 23701878 AMHPPHJNEQNUPY-UHFFFAOYSA-N 300.383 2.675 0 40 DFAB O=C(NCc1cccs1)N[C@H]1CCN(c2ccccc2)C1 75134058 KCZMAJJNPBYLLX-ZDUSSCGKSA-N 301.415 2.826 0 40 DFAB Cc1cc(C)c2c(c1)N(CN1CCc3ccccc3C1)C(=O)C2=O 23995834 LSARKKNMFHKHRU-UHFFFAOYSA-N 320.392 2.849 0 40 DFAB O=C(C[S@](=O)c1ccc(O)cc1)NCCC1CCCCC1 89793201 ZMNKKZISYDQBHS-OAQYLSRUSA-N 309.431 2.586 0 40 DFAB COc1ccc(Oc2nc(C)cc(C)c2S(C)(=O)=O)cc1 1387809 CWSWRRUTAJLONR-UHFFFAOYSA-N 307.371 2.903 0 40 DFAB COc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 106661382 UIPUUGUTCNCDBU-DLBZAZTESA-N 316.445 2.713 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCC(C)CC2)cc1 61553713 WVUKFFPIZKUKSU-UHFFFAOYSA-N 318.461 2.866 0 40 DFAB CCOC(=O)Cc1csc(-n2sc3ccccc3c2=O)n1 3207258 PYFNQEMZMLMPSL-UHFFFAOYSA-N 320.395 2.614 0 40 DFAB Cc1nnc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)s1 56515694 XOKBTFFENUCKNC-GFCCVEGCSA-N 322.390 2.653 0 40 DFAB C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1F 43931283 WLBZNUUGMWRSCU-WDEREUQCSA-N 310.369 2.916 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)Cc1nc(-c2ccco2)no1 44072490 DAAJPLYGZYUDNI-UHFFFAOYSA-N 313.313 2.690 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Cl)c(N)c1 3254792 ZSDOYPFWKRGLFG-GHMZBOCLSA-N 324.808 2.869 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(Cl)cn1 26861032 BTLYGSHOXJFARL-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB Fc1ccc(N2CCN(C[C@H]3COC4(CCCC4)O3)CC2)cc1 58014209 XVEUAAGPEXFRHN-KRWDZBQOSA-N 320.408 2.633 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 10024523 HEFVICGPJDBREO-UHFFFAOYSA-N 312.316 2.772 0 40 DFAB CN(C)c1cccc(C(=O)OCC(=O)Nc2cccc(F)c2)c1 3399902 XFNNNZRVAJDLBR-UHFFFAOYSA-N 316.332 2.687 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3315657 HGJYPWYNCFAWKR-CZUORRHYSA-N 318.417 2.604 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2C)cc1 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0 40 DFAB Cc1ncsc1CN1CC[C@@H](COc2ccc(F)cn2)C1 1889093043 OSMYJFPGOFAFSL-GFCCVEGCSA-N 307.394 2.887 0 40 DFAB CCCCN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 40050396 ZRKSEJKAMSXNBC-OAHLLOKOSA-N 312.316 2.855 0 40 DFAB COc1ccc(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 40108232 WVAZBUCFIKNEPL-WMLDXEAASA-N 305.418 2.949 0 40 DFAB C[C@@H](N(C)C(=O)CCn1cnc2sccc2c1=O)C(C)(C)C 30421745 BBRKBVXDZGUAOD-LLVKDONJSA-N 321.446 2.741 0 40 DFAB O=C(O)Cc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 20226928 XWVCZNGMUDPBJJ-UHFFFAOYSA-N 308.337 2.976 0 40 DFAB CCc1cccc(OCC(=O)N[C@@H]2CCCc3c2cnn3C)c1 24987055 DLBRNHGGOHDPTK-MRXNPFEDSA-N 313.401 2.555 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nnco2)cc1 3293174 KBLOORYWGDDVKS-CHWSQXEVSA-N 315.373 2.905 0 40 DFAB CN(C)C(=O)c1cc(NC(=O)c2ccc(Cl)s2)ccn1 78711339 LRFOYKSPOVHINH-UHFFFAOYSA-N 309.778 2.751 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NCCc2csc(C)n2)C12CCC2 78951561 RSNWZFCBCPEISC-KGLIPLIRSA-N 323.462 2.641 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)/C=C/c1ccc(C(N)=O)cc1 78986165 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CCc1n[nH]c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)n1 58266313 WKNHIHSYNFSHRY-VIFPVBQESA-N 321.402 2.748 0 40 DFAB O=C(CCc1cscn1)Nc1ncccc1Br 75092644 HOMNHRNIEMCHDF-UHFFFAOYSA-N 312.192 2.872 0 40 DFAB O=C(NC(C1CC1)C1CC1)N[C@H]1CCO[C@@]2(CCSC2)C1 89598153 DSMBVKAHQORMNR-BBRMVZONSA-N 310.463 2.529 0 40 DFAB CCCN1CCC(CNC(=O)c2cccc(N(C)C)c2)CC1 58342571 XSYYCNKAFUMSFH-UHFFFAOYSA-N 303.450 2.604 0 40 DFAB Cc1cccc(-c2ccc(CNC(=O)CCn3cncn3)cc2)c1 75141683 SXFDQMOGWDQUMT-UHFFFAOYSA-N 320.396 2.960 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc(-c2ccccc2)on1 58748855 GZYGMUZXZYHUON-UHFFFAOYSA-N 319.320 2.837 0 40 DFAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)CCCn2ccnc2)s1 89656337 FTKGUCWIOFHQFD-KGLIPLIRSA-N 303.431 2.905 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 2709899 QFMSXAVEZBGKDT-IBGZPJMESA-N 323.348 3.000 0 40 DFAB CCN(Cc1nonc1C)C(=O)c1cc(-c2ccccc2)on1 2791875 IVQJSGICJCCMSN-UHFFFAOYSA-N 312.329 2.695 0 40 DFAB CN(C)c1cccc(C(=O)NCCCn2cnc3ccccc32)c1 12490309 JZEMCKOEFKLEMG-UHFFFAOYSA-N 322.412 2.922 0 40 DFAB O=C(NCCc1ccccn1)Nc1ccc(-c2ccccc2)nn1 89851190 MWELJBHIXUDNJU-UHFFFAOYSA-N 319.368 2.903 0 40 DFAB C[C@@H](CC(=O)c1ccco1)NC(=O)Cc1noc2ccccc12 89894710 AHNDKYPLYZEEMZ-NSHDSACASA-N 312.325 2.741 0 40 DFAB COc1cccc(CC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c1 89894960 NWEXVDADYYAQJD-RDTXWAMCSA-N 313.397 2.866 0 40 DFAB COc1cc(CNC(=O)CCc2c[nH]c3ccccc23)ccn1 48300880 KBNHLFVJNBNZME-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB CCOC(=O)N1CCC(NCCc2sc(C)nc2C)CC1 89984729 ZRXMYJJWYZDCAU-UHFFFAOYSA-N 311.451 2.513 0 40 DFAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1 12811090 KDBNDZPPUUXODV-ZDUSSCGKSA-N 314.385 2.655 0 40 DFAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2noc(C3CC3)n2)o1 76047905 VILLMVWXUCNGQD-NSHDSACASA-N 317.393 2.965 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497273 MKLSMCJQKJRMRF-LLVKDONJSA-N 316.357 2.722 0 40 DFAB COc1cccc(CNC(=O)c2cc3c(C)nn(C)c3s2)c1 12942953 IPOPRUXRVNGLDR-UHFFFAOYSA-N 315.398 2.882 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCc1ccc(C(=O)N2CCCC2)cc1 12942292 DHYULJJRTUANBX-OAHLLOKOSA-N 312.413 2.895 0 40 DFAB N=C(N)SCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 13056069 DBTDVSQQTKOHGC-UHFFFAOYSA-N 322.440 2.840 0 40 DFAB Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)c(F)c1 13322566 PBFZKEZYDBOMSE-UHFFFAOYSA-N 308.309 2.860 0 40 DFAB Cc1nc2ncccn2c1-c1csc(Nc2ncccn2)n1 3998372 QHZYWYWYJNVENO-UHFFFAOYSA-N 309.358 2.695 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)CSCc2ccncc2)C1 63692834 DULARYSQNVXLRS-MRXNPFEDSA-N 321.490 2.551 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(C)ccc2n1C)C(=O)O 4000323 OWKGGHSMHAIXDE-ABAIWWIYSA-N 302.374 2.716 0 40 DFAB biogenic CCN(CC)C(=O)C1CCN(c2ccc(C(C)=O)cc2)CC1 4052223 QEQOFOUYRVPXCE-UHFFFAOYSA-N 302.418 2.974 0 40 DFAB Cc1ccc(CSc2nnc(SCC(N)=O)s2)cc1 6107392 YBNXGLLKFYIEQZ-UHFFFAOYSA-N 311.457 2.716 0 40 DFAB Cc1csc(=O)n1CCCC(=O)NCc1ccccc1Cl 14197777 BCWFHMBFBAFKJY-UHFFFAOYSA-N 324.833 2.968 0 40 DFAB CCCSc1nnc(Sc2ncnc3c2cnn3C)s1 14261107 XYBCMURPBFPJAU-UHFFFAOYSA-N 324.460 2.868 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 4685749 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c1ccc(-n2nnnc2NCCCn2cnc3ccccc32)cc1 7904147 XCTKQZCNVDPZAV-UHFFFAOYSA-N 319.372 2.514 0 40 DFAB Cc1cc(C(=O)NC[C@H](C)CCO)nn1-c1ccccc1Cl 95989162 HILIIGINARVCLL-LLVKDONJSA-N 321.808 2.582 0 40 DFAB CC(C)(C)C1CCC(C(=O)NC[C@@H](O)C2CCOCC2)CC1 71915019 LDTHTAWTYGWLDS-UYSNPLJNSA-N 311.466 2.743 0 40 DFAB CCC(=O)NCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 69350281 KXHQYEOGOYMUSQ-SECBINFHSA-N 317.216 2.567 0 40 DFAB Cc1cc(COC(=O)c2ccc(N3CCCCC3=O)cc2)on1 8354123 ZHCKHPQRZJHUBG-UHFFFAOYSA-N 314.341 2.857 0 40 DFAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccnc2Cl)C[C@@H]1O 95996726 XDDKFVMPSJYEOG-PWSUYJOCSA-N 311.813 2.996 0 40 DFAB Cn1ccc(NC(=O)NCc2ccccc2N2CCCCC2)n1 95994327 WWXFZPKLZRGFFJ-UHFFFAOYSA-N 313.405 2.732 0 40 DFAB NC(=O)C[C@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 69518789 AYMWVAASKPJQSO-CYBMUJFWSA-N 324.421 2.564 0 40 DFAB COc1ccc(CCN[C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC 20264084 ASIXXJPWMHNLIN-DZKIICNBSA-N 306.450 2.565 0 40 DFAB COCC(=O)N(C1CC1)[C@H](C)c1ccc2c(c1)OCCCO2 72274690 QLEGFFISQCWAPR-GFCCVEGCSA-N 305.374 2.546 0 40 DFAB CCCNC(=O)c1cc(Br)ccc1OCCOC 8722983 VEOQZYWVLGUGDW-UHFFFAOYSA-N 316.195 2.614 0 40 DFAB CC(C)Cn1cnnc1[C@@H]1CCCN1CCOCC(F)(F)F 72291851 NMOAEWAZXFQVNK-LBPRGKRZSA-N 320.359 2.650 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)sc1C 72297395 LZVWMLDWMANUOF-JSGCOSHPSA-N 318.446 2.924 0 40 DFAB O=C(NC[C@H](O)Cc1ccccc1)c1c(F)cccc1Cl 70957177 BHRVKTPFWDDYAW-GFCCVEGCSA-N 307.752 2.813 0 40 DFAB NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9154645 ODVMMBBYDDILGG-UHFFFAOYSA-N 300.796 2.513 0 40 DFAB CCc1cc(NC(=O)NC[C@@H](C)c2ncc(C)s2)n(C)n1 97113292 PXSOOJKEUIEHGB-SECBINFHSA-N 307.423 2.673 0 40 DFAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC1(C)C 97100982 DVRYTNACPBDWJG-UHFFFAOYSA-N 309.431 2.667 0 40 DFAB CCS(=O)(=O)CCN[C@@H](C)c1ccc(OC)c2ccccc12 95967650 WTXKXLXRJBPRGE-ZDUSSCGKSA-N 321.442 2.934 0 40 DFAB O=C(/C=C/c1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)O 62715038 CHXCWMQGXKVSCY-OFAQMXQXSA-N 313.328 2.651 0 40 DFAB CC[C@H](C(=O)OCC(=O)NCc1ccco1)c1ccccc1 28288471 ZIOIKSNKBSNQMH-HNNXBMFYSA-N 301.342 2.633 0 40 DFAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 408708638 RVHHXQLUVMMQBC-RDJZCZTQSA-N 322.408 2.959 0 40 DFAB C[C@H]1COCC[C@H]1c1noc(-c2ncc3c(F)cccn23)n1 528189464 GXQLMPWWHOQZNW-VHSXEESVSA-N 302.309 2.663 0 40 DFAB CSc1cncc(NCc2nnc(C3CC3)n2C2CC2)n1 127037559 GIYRAELGAVPPNR-UHFFFAOYSA-N 302.407 2.614 0 40 DFAB C[C@H](c1nnnn1C1CCCCC1)N(C)Cc1nccs1 189492422 QVYHLPPSWMZWQC-LLVKDONJSA-N 306.439 2.828 0 40 DFAB Cc1cc(C)c(NC(=O)CNc2ccc(C(N)=O)cc2)c(C)c1 32679619 BLKCVEHIGYGAHM-UHFFFAOYSA-N 311.385 2.761 0 40 DFAB Cc1ccc([C@H]2COCCN2Cc2ccsc2C(=O)O)o1 565106225 XGAQDLZVHMEYMU-GFCCVEGCSA-N 307.371 2.921 0 40 DFAB Cc1ccc2c(c1)[C@@H](NCC1(N(C)C)CCOCC1)[C@@H](C)C2 180543692 DACUVMXRDZIFPW-YJBOKZPZSA-N 302.462 2.929 0 40 DFAB COc1ccc(CCNC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 33147197 QHKTXTBGUMWCAM-SFHVURJKSA-N 324.380 2.547 0 40 DFAB O=C(CN1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 72346725 SWASHTHFACPHML-MRXNPFEDSA-N 312.417 2.712 0 40 DFAB COc1ccc2[nH]cc(CC(=O)O[C@H]3CCC[C@@H]3OC)c2c1 78985719 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CCc1[nH]nc(NC(=O)CC2CCC3(CC2)OCCO3)c1C 195578042 YNGKEFTZZJGSHZ-UHFFFAOYSA-N 307.394 2.542 0 40 DFAB CCOC(=O)COc1ccc(NC(=O)N2CCC=C(F)C2)cc1 330032823 RYTFRDGRDKBKLD-UHFFFAOYSA-N 322.336 2.720 0 40 DFAB Cc1cccc(S(=O)(=O)CCCSc2nncs2)c1 97379510 ONRGZIVWPQJHIO-UHFFFAOYSA-N 314.457 2.803 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)N(C)C2Cc3ccccc3C2)c2nccn21 334105157 XXZWAWRQMJTLBH-MLGOLLRUSA-N 310.401 2.698 0 40 DFAB CCc1n[nH]c(S[C@H]2CCCN(c3ccccc3F)C2=O)n1 96486196 VEJFAKCJPMEUAC-LBPRGKRZSA-N 320.393 2.794 0 40 DFAB COCC1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)CC1 96444712 IGGAQCARQMHCIX-ZDUSSCGKSA-N 321.392 2.920 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccncc3)CC2)CN1C(C)C 96051762 UZMWVFRNMJCXGL-GOSISDBHSA-N 317.477 2.793 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@@H]2C(C)(C)O)c2ccccc21 96487181 KAZMVCSRHLHAPG-QGZVFWFLSA-N 314.429 2.873 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)on1 96437753 CCDOTEVEFPDXLX-NHYWBVRUSA-N 309.410 2.945 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1cccs1)C2 96039387 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Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)n1 72273853 UHICRAYPFCZKMY-OLZOCXBDSA-N 304.419 2.963 0 40 DFAB C[C@](O)(CNC(=O)c1ccc2ncsc2c1)c1cccs1 172417221 SYXLUPPILGLCFX-HNNXBMFYSA-N 318.423 2.995 0 40 DFAB CCN(C(=O)CCNC(=O)c1ccco1)c1cccc(F)c1 45515100 FBUQAIDURZRMKK-UHFFFAOYSA-N 304.321 2.592 0 40 DFAB Cc1ccc(OC(=O)CCc2nc(-c3cccnc3)no2)cc1 46417904 KBVRPASFMCBBFL-UHFFFAOYSA-N 309.325 2.978 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 81645422 RCLAJFLUDWJMRP-IJEWVQPXSA-N 312.413 2.785 0 40 DFAB CCOc1cccc(NC(=O)Nc2c(C)ccn(C)c2=O)c1 97103674 WHBCDXZAYGMEMM-UHFFFAOYSA-N 301.346 2.736 0 40 DFAB CCc1noc([C@@H](C)N2CCN(Cc3ccccc3C)CC2)n1 42651867 CWIBOXKTQDOWTI-OAHLLOKOSA-N 314.433 2.819 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccc2ncccc2c1 561230864 AEBSMLDCIQRWFP-DFEHZGFQSA-N 318.376 2.932 0 40 DFAB Cc1ccc([C@H](O)CN2CCN(c3nccs3)CC2)c(C)c1 19132512 LBYOOZFFUFAWPC-MRXNPFEDSA-N 317.458 2.616 0 40 DFAB Cc1oc2ncn3nc([C@H](C)NC(=O)C(C)(C)C)nc3c2c1C 19559499 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Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cn1 22472464 CRSKKLXJYLBSBH-UHFFFAOYSA-N 309.369 2.669 0 40 DFAB O=C(C[C@H]1C=CCC1)NC[C@H](c1cccs1)N1CCOCC1 22767196 HYVLUEFKRUCYCY-LSDHHAIUSA-N 320.458 2.594 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 871175 QKWKPGHURXWHOH-OAHLLOKOSA-N 318.373 2.665 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc32)c(F)c1 104737343 GYHAIPMCXROQGY-CYBMUJFWSA-N 305.374 2.752 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(-c2nnco2)cc1 3293175 KBLOORYWGDDVKS-STQMWFEESA-N 315.373 2.905 0 40 DFAB O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccn2)CC1 24911846 PMFYUFQKQPWINA-UHFFFAOYSA-N 308.385 2.562 0 40 DFAB CC(C)N1C[C@H](C(=O)N2CCCc3cc(F)cc(F)c32)CC1=O 55441108 GYOUTGDPYWXYCT-GFCCVEGCSA-N 322.355 2.501 0 40 DFAB Cc1nnc(NC(=O)N2CCN(c3ccccc3C)CC2)s1 43412254 YAPJBMNUAIECBW-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1N1CCCCC1=O 79047382 HUOAHITVWPXNBT-AAEUAGOBSA-N 302.374 2.807 0 40 DFAB CCc1nnc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)s1 25444472 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2.958 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1 58356146 RXMAVXSVAJHMJR-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB Cc1csc(NC(=O)c2ccc(N3CCOC3=O)cc2)n1 36391652 NVWBJIOAFVVCDV-UHFFFAOYSA-N 303.343 2.660 0 40 DFAB Cc1cc2c(c(=O)o1)[C@H](C)C[C@H](c1c(O)cc(C)oc1=O)O2 104266835 HYZREXXZIIBUGU-RDDDGLTNSA-N 304.298 2.543 0 40 DFAB CCC(CC)NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 11428421 BUZURIAQQYLYHA-MRXNPFEDSA-N 306.406 2.567 0 40 DFAB O=C1c2ccccc2CS(=O)(=O)N1Cc1cccc(Cl)c1 60278365 LSMJSYMSIWCJRF-UHFFFAOYSA-N 321.785 2.826 0 40 DFAB c1csc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)c1 107731334 BGAUJLZCNIIICF-ZBFHGGJFSA-N 303.431 2.941 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c12 103469945 WTPPIYXLOBATQA-CWRNSKLLSA-N 310.397 2.978 0 40 DFAB O=C(NC1CCCCCC1)c1cc(-n2cnnn2)ccc1Cl 12322935 ROWOJAOMFOFIFS-UHFFFAOYSA-N 319.796 2.768 0 40 DFAB FC(F)(F)c1cc(Br)ccc1N1CCNCC1 37635860 PSWUXRIQDCPOBT-UHFFFAOYSA-N 309.129 2.878 0 40 DFAB in-vitro COC(=O)c1cnc(Nc2nc(C)c3cccc(C)c3n2)nc1C 20634140 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COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1OC 8724855 FBITXYNGVNKWTQ-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB CCn1cc(NC(=O)NCCc2ccc(C)c(OC)c2)cn1 72294909 MVQPCRUNOHHQKZ-UHFFFAOYSA-N 302.378 2.584 0 40 DFAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(O)nc1 18205458 YQRFFEVKYCYTCY-UHFFFAOYSA-N 308.790 2.963 0 40 DFAB CC[C@@H](NC(=O)NCc1ccnn1C)c1cc(F)ccc1F 72294046 VYRAYQOXYHEEBF-CQSZACIVSA-N 308.332 2.649 0 40 DFAB CSc1ccc(N(C)C(=O)NCCC(=O)NC(C)(C)C)cc1 97013123 ZAVOCSFPPCMQRA-UHFFFAOYSA-N 323.462 2.859 0 40 DFAB Cc1nc(CCNC(=O)/C=C/c2ccc(C(=O)O)cc2)cs1 97017625 QFQHHFHSFRWKFQ-QPJJXVBHSA-N 316.382 2.522 0 40 DFAB Cc1ccncc1NS(=O)(=O)c1cc(Cl)cc2c1OCC2 96009587 WWHCXVSELWUUKT-UHFFFAOYSA-N 324.789 2.779 0 40 DFAB Cc1nsc(N[C@H](C)c2cccc(N3CCOC3=O)c2)n1 84286887 UWIKFCYZCSWLFB-SECBINFHSA-N 304.375 2.976 0 40 DFAB CCC[C@@H](NCc1cccc(OC)c1OC(C)C)C(=O)OC 97164448 ZHLGLTQLUPURJN-CQSZACIVSA-N 309.406 2.914 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)NCC(=O)c1ccccc1 75144177 MGCOYPZTCYFRQT-LBPRGKRZSA-N 300.383 2.561 0 40 DFAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)c1ccc(N2CCCC2)nn1 75147668 HCADOTJKRALAIW-ZIAGYGMSSA-N 302.422 2.583 0 40 DFAB Cc1ccccc1-c1nc(Cn2c(C)c(C)sc2=O)no1 89696920 VZANBKDNVHSDSK-UHFFFAOYSA-N 301.371 2.933 0 40 DFAB O=c1cc(CSc2nc3cc(F)c(F)cc3[nH]2)occ1O 89764792 OQUJMSMZQFOUJU-UHFFFAOYSA-N 310.281 2.792 0 40 DFAB C[C@@H]1c2ccccc2CCN1S(=O)(=O)CC[C@@H]1CCCO1 89941517 SYGDOCPGVDWEKE-HIFRSBDPSA-N 309.431 2.505 0 40 DFAB CCO[C@H](C)c1noc(COc2ccccc2-c2nc[nH]n2)n1 89985003 GSXOIGBLBCDUSW-SNVBAGLBSA-N 315.333 2.531 0 40 DFAB CC(=O)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705219 WGNSOXMXZPAALQ-CQSZACIVSA-N 301.415 2.855 0 40 DFAB COCCNC(=S)Nc1ccc(Oc2ccccc2)nc1 408586394 OLUMJECQGOLYRQ-UHFFFAOYSA-N 303.387 2.807 0 40 DFAB COC(=O)c1cn([C@H](C)C(=O)N2CCCC2)c2ccccc12 409199085 NQJCSUXTEQLKHM-GFCCVEGCSA-N 300.358 2.611 0 40 DFAB O=C(Cc1cccc(F)c1)NC[C@@H](O)c1ccc(Cl)s1 75273740 FRSPHGXRSCCKBN-LLVKDONJSA-N 313.781 2.933 0 40 DFAB CC(C)NS(=O)(=O)c1cccc(COc2ccccc2)c1 72264761 HOGJYRLPBSCPCF-UHFFFAOYSA-N 305.399 2.952 0 40 DFAB COc1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)ncn1 79438958 DFLVSNFMDMZFCU-LBPRGKRZSA-N 322.409 2.687 0 40 DFAB Cc1cccc2c1N(CC(C)C)C(=O)[C@@]21CC(O)=Nc2[nH]ncc21 31810583 VPJVDEUCSQZBPQ-SFHVURJKSA-N 324.384 2.999 0 40 DFAB COc1cccc(CN2CCC[C@@H](c3n[nH]c4nccnc34)C2)c1 72393823 PWMHUYJKVHLMCR-CQSZACIVSA-N 323.400 2.741 0 40 DFAB Cc1ccn(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 189046347 PEADOGIGDHMGQF-LBPRGKRZSA-N 311.385 2.709 0 40 DFAB Fc1ccc([C@H]2CN(CCn3cccn3)CCO2)cc1Cl 66844806 MILZRNDVLXBKGL-OAHLLOKOSA-N 309.772 2.749 0 40 DFAB Cn1cc(CCC(=O)N2CCCC[C@H]2C(=O)O)c2ccccc21 195551063 GJHSHDKRECBBNX-INIZCTEOSA-N 314.385 2.577 0 40 DFAB O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1ncc(C2CC2)o1 329325200 VZAMHDAVHFXOSV-IBGZPJMESA-N 322.364 2.695 0 40 DFAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)C 44902591 VMXWCFYSUASKRL-ZDUSSCGKSA-N 300.855 2.889 0 40 DFAB CCC1=C(c2cccc(OC)c2)[C@](N)(Cc2ccccc2)NN1 228945436 KHVPQHKYZVHJDF-IBGZPJMESA-N 309.413 2.822 0 40 DFAB COC[C@H](C)NC(=O)C1CCN(C/C=C/c2ccccc2)CC1 199419715 MWXXPRZKHXJIGD-FSNWXROXSA-N 316.445 2.563 0 40 DFAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)O2 226761902 NXUZGKKWJNEQJT-CABCVRRESA-N 320.348 2.719 0 40 DFAB Cc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1 224158365 CNEGGLMHRQSEOV-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB Cc1ncccc1NC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1 226852698 OBWHQQFAAYJGSY-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB CCc1nc(CS[C@H]2CCN(c3ccc(C)cc3)C2=O)no1 96433430 NMQUPVROHOZAPD-ZDUSSCGKSA-N 317.414 2.979 0 40 DFAB CCOCCN(C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 96490281 IVQIJNAZQPEDSH-UHFFFAOYSA-N 312.320 2.932 0 40 DFAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccco3)n2)ccc1OC 95534358 BGFBETVVEDUGJD-AWEZNQCLSA-N 314.345 2.520 0 40 DFAB O=C(NCCO)c1ccc(OCc2cccc(Cl)c2)cc1 96411873 AWWKNCZGFAJSLI-UHFFFAOYSA-N 305.761 2.641 0 40 DFAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 96405549 XVVVEZWZRZXUAU-MAUKXSAKSA-N 313.445 2.716 0 40 DFAB CC(C)N1C[C@H](C(=O)N(C)C2C3CC4CC(C3)CC2C4)CC1=O 97220030 PQAFNAGYUOBOLP-PKSOCPPESA-N 318.461 2.526 0 40 DFAB c1coc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)c1 96058340 ABGIIPHSDQTBPD-UFYCRDLUSA-N 324.424 2.882 0 40 DFAB O=C(NCCCNc1ccccc1F)c1ccc(O)cc1F 97372823 JGCCWUSDXBKPRQ-UHFFFAOYSA-N 306.312 2.902 0 40 DFAB O=C1NCC[C@]12CN(Cc1cccs1)C[C@H]2c1ccccc1 96201808 DLMHKYZLFYQVFF-FUHWJXTLSA-N 312.438 2.854 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccs1 245281264 ALCMYLPFVYYUPH-OXHZDVMGSA-N 308.447 2.964 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccccn3)C[C@@H]12 248159011 WSNXICDFMOEBDU-WOJBJXKFSA-N 307.441 2.929 0 40 DFAB CCn1c(CN2CCc3cncnc3C2)nc2cc(F)ccc21 69484671 FDCGQLLHEGEYBY-UHFFFAOYSA-N 311.364 2.544 0 40 DFAB C[C@@](O)(CNC(=O)C1CCC1)c1ccccc1Br 252499793 SEKGWGRQTICRIX-CQSZACIVSA-N 312.207 2.573 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69512553 JUWFYPVOUNGNPN-GJZGRUSLSA-N 316.401 2.504 0 40 DFAB O=C(CCCn1cc(-c2ccc(F)cc2)cn1)NCC1CC1 257173282 IIKGWULLCXIEMU-UHFFFAOYSA-N 301.365 2.996 0 40 DFAB CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)c1ccncc1 69617883 INFUQBJPNRDYDJ-UHFFFAOYSA-N 318.398 2.542 0 40 DFAB CCC[C@H](C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 69665864 BKKKRPPOXAXKIK-INIZCTEOSA-N 317.477 2.983 0 40 DFAB CCN(CC)C(=O)c1csc(I)c1 69700349 ZXJLZQUBYHDBHV-UHFFFAOYSA-N 309.172 2.835 0 40 DFAB CC(=O)c1ccc(CC(=O)N2CCOc3ncc(C)cc32)cc1 270505164 BLVDXGVHKGZHGB-UHFFFAOYSA-N 310.353 2.561 0 40 DFAB CC(C)CCN1CCC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 585101207 NQYFQHONQCYMQD-QGZVFWFLSA-N 309.454 2.510 0 40 DFAB CC[C@H](C)N1CCC[C@@]2(CN(Cc3c(C)noc3C)C2=O)C1 585099593 RUFFXFFHIFZJJX-SJCJKPOMSA-N 305.422 2.514 0 40 DFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN1 953025690 FXGQLWMIZCDNJA-IBGZPJMESA-N 309.413 2.502 0 40 DFAB Cc1nnc(C2CCN(C(=O)NCc3cccs3)CC2)s1 75149311 IJAWXNMJCZEYAY-UHFFFAOYSA-N 322.459 2.997 0 40 DFAB COc1ccc(C)cc1C[S@](=O)[C@@H](C)C(=O)NC1CCCC1 78556085 HHXMJVBBYHQSBG-WHEQGISXSA-N 323.458 2.700 0 40 DFAB CCC[C@H]1CCc2ccccc2N1CC(=O)NC[C@@H]1CCOC1 79106868 JCSNPAYTXHITCN-RDJZCZTQSA-N 316.445 2.761 0 40 DFAB O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1C[C@H]2CC[C@H]1C2 101972847 TVCKRWBHINWEGC-UWVGGRQHSA-N 320.755 2.684 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)C(F)(F)C1 504815837 IXYHNGDUMGISFM-SECBINFHSA-N 305.243 2.556 0 40 DFAB COc1ccc(-c2cc(CC(=O)NCc3ccccn3)no2)cc1 12634102 AAPNIKVUEKBPAB-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccccc1F 13391198 HMLHSXSQFTVVGE-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(O)c1 5375270 FZRXGLWYJUREKQ-OAHLLOKOSA-N 301.298 2.691 0 40 DFAB Cc1ccc(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 7636305 LSCHRSHSBXTLPT-INIZCTEOSA-N 321.461 2.749 0 40 DFAB C[C@@H]1CCCCN1CC(=O)Nc1ccccc1N1CCCC1=O 8944620 LFWFCARLUHMTHX-CQSZACIVSA-N 315.417 2.626 0 40 DFAB CS(=O)(=O)c1cccc2sc(N3C[C@@H]4CCC[C@H]4C3)nc12 1888846827 XQDHHGDXKYACSD-QWRGUYRKSA-N 322.455 2.936 0 40 DFAB Cc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1F 1888854732 ZHCLGKGWRVRYOW-UHFFFAOYSA-N 306.772 2.904 0 40 DFAB CSc1nccc(N2CC[C@H](Oc3ccncc3C)C2)n1 1889095529 UWFPLSNGFCOYCL-LBPRGKRZSA-N 302.403 2.560 0 40 DFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@@H]1CCCO1 15355994 WZJLLJIYOTYPEP-AWEZNQCLSA-N 320.389 2.787 0 40 DFAB Cc1cc(C)n2ncc(CN3CCCC[C@H]3c3cc[nH]n3)c2n1 1848355433 LRRQYSCBHPTCTC-INIZCTEOSA-N 310.405 2.796 0 40 DFAB O=C(c1ccns1)N1CCC[C@@]2(CCCN(CC3CC3)C2)C1 2056224238 MUAQYENSVGXJFF-QGZVFWFLSA-N 319.474 2.871 0 40 DFAB COc1ccc(-c2nnc3sc(C(F)(F)F)nn23)cc1 8715068 WXTURLCYOCQRGZ-UHFFFAOYSA-N 300.265 2.880 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1Br 4713227 FNEUYRSNLVHTKX-FQPOAREZSA-N 318.170 2.761 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(C3CC3)on2)C1 2298174056 AUIGZACMOJVYMV-ZDUSSCGKSA-N 305.422 2.679 0 40 DFAB Fc1cc(Cl)cnc1N1CCC[C@@H](COc2cnccn2)C1 2298187273 DDXMZOZISGYESC-LLVKDONJSA-N 322.771 2.960 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)N1CCCc2ccccc21 24950213 NAIKFUWZUNECGD-UHFFFAOYSA-N 322.408 2.715 0 40 DFAB COc1ccc(-c2csc(CCNC(=O)C3CC3)n2)cc1 31848760 BFHXWXHUCJBIGA-UHFFFAOYSA-N 302.399 2.887 0 40 DFAB COc1ccc(-c2nc(N)n(C(=O)c3ccc(C)cc3)n2)cc1 205350 JZSJTYKKZURFRW-UHFFFAOYSA-N 308.341 2.533 0 40 DFAB CCNC(=O)CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 32748030 KZKFCUAPVBQZQI-UHFFFAOYSA-N 316.401 2.659 0 40 DFAB Cc1cccc(C)c1-n1nnnc1S[C@@H]1CCCCC1=O 21541688 WEMHBAIEQOOJAO-CYBMUJFWSA-N 302.403 2.883 0 40 DFAB O=C(C1CCN(c2cnc3ccccc3n2)CC1)N1CCCCC1 41872758 FYCHCLHXZVKASM-UHFFFAOYSA-N 324.428 2.859 0 40 DFAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@@H]1c1ccccc1 53794177 GHMLOWMNZILRKP-MRXNPFEDSA-N 319.368 2.640 0 40 DFAB O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccncc1 22960325 XHKWYMBFVXVZIP-CQSZACIVSA-N 324.352 2.886 0 40 DFAB NC(=O)[C@@H](NCCCn1ccc2ccccc21)c1ccccc1 54583895 SZFZXGAVKSUFDH-SFHVURJKSA-N 307.397 2.848 0 40 DFAB CNC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 418084 HIMPNPQVVDOAQA-MRVPVSSYSA-N 307.444 2.654 0 40 DFAB CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1050369 IMIULAFCJBJCMI-UHFFFAOYSA-N 323.348 2.927 0 40 DFAB aggregator CNC(=O)c1cccc(NC(=O)NCc2cccs2)c1C 40526977 ALAKBGRRQLBXMB-UHFFFAOYSA-N 303.387 2.738 0 40 DFAB Cc1cccc2cc(CNCc3ccc4c(c3)OCO4)c(=O)[nH]c12 4132789 UKAJSELYDNHEIS-UHFFFAOYSA-N 322.364 2.855 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 4732052 IGBZLABTWDTRRH-SNVBAGLBSA-N 319.361 2.582 0 40 DFAB CN1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 6734516 GRVJCYAACUPGCT-UHFFFAOYSA-N 304.777 2.988 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cccs2)n1 32744615 AKGMHJVFNXEEJA-VIFPVBQESA-N 323.443 2.516 0 40 DFAB COc1ccccc1OCCNC(=O)N[C@H]1CCCC[C@@H]1C 32862808 KIRMWXBBWIJAKY-KBPBESRZSA-N 306.406 2.952 0 40 DFAB C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccn1 75117458 DJGTUMDIILVSDL-ZDUSSCGKSA-N 319.364 2.928 0 40 DFAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 52757118 HLTXJCAZCCSXAL-SNVBAGLBSA-N 300.749 2.874 0 40 DFAB CC(C)(C)OC(=O)NC1(c2nc(-c3ccncc3)no2)CC1 89662429 DXQQELLCNBGOCM-UHFFFAOYSA-N 302.334 2.645 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)n2cc(Br)cn2)n1 28224454 GMUDYIIPFCWXOC-SSDOTTSWSA-N 315.196 2.610 0 40 DFAB CC(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)s1 7818428 GRSLQPREMHKKRC-AWEZNQCLSA-N 316.426 2.983 0 40 DFAB O=C(C1CCCC1)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142611 WBMZPCSRAHZSPL-KBPBESRZSA-N 318.392 2.752 0 40 DFAB CONC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 12519831 UXFCOGPKTLJIEY-UHFFFAOYSA-N 311.341 2.513 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2NC1=O 12548129 KITAXLKFZXPTRE-SECBINFHSA-N 322.324 2.535 0 40 DFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccncc1 12542963 WQWWOPYSQVWNAQ-UHFFFAOYSA-N 312.304 2.842 0 40 DFAB C[C@@H](NC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2 42898854 PLSDQAIHHDBJCF-GFCCVEGCSA-N 324.384 2.527 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccn2)C1 24868225 NMKKAVYTJTWZEJ-AWEZNQCLSA-N 309.369 2.573 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCc2c1cnn2C 24990007 VCPTZFMPNNBYIU-LBPRGKRZSA-N 302.378 2.647 0 40 DFAB COCCN(Cc1ccccn1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106648230 OCECVGBZZAEJLD-HRCADAONSA-N 302.418 2.883 0 40 DFAB O=C(OCC(=O)N1CCCCC1)c1ccccc1C(F)(F)F 3239575 ZAOGBJKSRMDBIB-UHFFFAOYSA-N 315.291 2.875 0 40 DFAB Cc1nc(NC(=O)CCCn2c(C)csc2=O)sc1C 26368955 GSLKXILEZIXAIG-UHFFFAOYSA-N 311.432 2.710 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(F)cc2F)c1 3239196 XKJXTAZHUKIESZ-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CCCCOc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1 3335809 TWBVYHCPGSIMQM-UHFFFAOYSA-N 320.458 2.738 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 3325823 JUQXNRIBSPAGKJ-CJNGLKHVSA-N 319.401 2.937 0 40 DFAB COc1ccc(OC)c(COC(=O)c2ccc3c(c2)OCO3)c1 8068751 RRMVGCCYSXCNTH-UHFFFAOYSA-N 316.309 2.790 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1 58210598 GJHDCXPIMAUCKS-UKRRQHHQSA-N 319.426 2.925 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@H]1CCCC[C@H]1C 3371909 AIPXFBGCADYFMV-OCCSQVGLSA-N 304.390 2.719 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c1 58416109 ZDJKAXOHIBCZII-SJCJKPOMSA-N 312.369 2.820 0 40 DFAB O=C(c1ccnc(NC2CC2)c1)N1CCN(c2ccccc2)CC1 58415630 HUALTVLNIXRVOS-UHFFFAOYSA-N 322.412 2.618 0 40 DFAB CCNC(=O)NC(=O)CN(Cc1ccccc1)c1ccccc1 10504402 UUPMYTLPWPGMPV-UHFFFAOYSA-N 311.385 2.539 0 40 DFAB COc1ccnc(NCC(C)(C)c2ccc3c(c2)OCO3)n1 58554587 UQAQWMUNCAPDNP-UHFFFAOYSA-N 301.346 2.604 0 40 DFAB CCN(CC)c1ccc(CNC(=O)c2cccc3cn[nH]c23)cn1 48248418 MTGJIQPEESRDNE-UHFFFAOYSA-N 323.400 2.734 0 40 DFAB C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1CCc2ccccc21 48310399 JNJPJOOFRKXGMP-GFCCVEGCSA-N 306.369 2.953 0 40 DFAB CCOc1ccc(NC(=O)N[C@H](C)C(=O)N[C@H](C)CC)cc1C 62411557 DUUOQJDNQAQATK-CHWSQXEVSA-N 321.421 2.818 0 40 DFAB COc1ccc(NCCc2n[nH]c(-c3ccc(N)cc3)n2)cc1 62719294 CVBZWVHAVJWZSK-UHFFFAOYSA-N 309.373 2.717 0 40 DFAB Cc1cccc(-c2nnc([C@@H](C)N3CCn4c(C)nnc4C3)o2)c1 69490248 JESVQADANSHILE-GFCCVEGCSA-N 324.388 2.522 0 40 DFAB CCc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 6082941 HWGATLAKKGVVGB-UHFFFAOYSA-N 307.353 2.667 0 40 DFAB CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 8757043 VYDJWLODGQLLGL-VIFPVBQESA-N 308.382 2.934 0 40 DFAB Cc1cccc(-n2nnc(C(=O)O)c2-c2ccc3c(c2)OCO3)c1 82237890 UXQBLRLXZRNLLD-UHFFFAOYSA-N 323.308 2.670 0 40 DFAB COc1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 5355482 WUVWCLVTOQRFPQ-LLVKDONJSA-N 324.336 2.850 0 40 DFAB CCCNC(=O)COc1ccccc1C(=O)Nc1ccccc1 6460991 MHTBOIRYAUDWNQ-UHFFFAOYSA-N 312.369 2.844 0 40 DFAB Cc1cccc(OCCCSc2n[nH]c(=O)n2C2CC2)c1 8504485 QLANMFJSXBCFJK-UHFFFAOYSA-N 305.403 2.776 0 40 DFAB C[C@@]12CCCc3c1n(c(=O)c1c(O)cc(=O)oc31)-c1ccccc12 6556210 JRPPGAOHJIQJOC-IBGZPJMESA-N 321.332 2.605 0 40 DFAB O=C(COC(=O)Cc1cccs1)Nc1ccc(F)c(F)c1 5786762 HOYLKDRMWLQDGH-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB COC(=O)c1cnc(NC(=O)CSc2ccccc2)s1 8984858 JFAIZIBUVOBOJV-UHFFFAOYSA-N 308.384 2.661 0 40 DFAB C/C(=C\c1ccccc1)CNCC(C)(C)N1CCN(C)CC1 71924531 YTAAHHXUXJEHBU-SAPNQHFASA-N 301.478 2.706 0 40 DFAB Oc1cc(C(F)(F)F)nc(SCCOCC(F)(F)F)n1 71914312 BKQANSLCUAZIEZ-UHFFFAOYSA-N 322.230 2.872 0 40 DFAB O=C(c1ccc[nH]1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245673 ZZAKPEYIRCDFTP-GXTWGEPZSA-N 324.302 2.982 0 40 DFAB COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnc(C)cn1)[C@H]2C 96005915 IJKRGTJXBIRPOV-OLZOCXBDSA-N 311.385 2.942 0 40 DFAB CCCc1noc([C@@H](C)N[C@H]2CCCc3c2cnn3CC)n1 76046994 CAXAIKDBLREWSP-YPMHNXCESA-N 303.410 2.967 0 40 DFAB Cc1ncsc1CNC(=O)N[C@H](CCN(C)C)C(C)(C)C 96407814 ILOFFRHSZRTRAP-CYBMUJFWSA-N 312.483 2.617 0 40 DFAB COC(=O)C1(NCc2c(C)nc3ccccn23)CCCCC1 96468493 QQYGCFYYRSCGQN-UHFFFAOYSA-N 301.390 2.608 0 40 DFAB C[S@](=O)C[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1 96445510 YBRNORQCZKIBKF-LRTDBIEQSA-N 322.817 2.585 0 40 DFAB COC(=O)c1cccc(NC(=O)NCCC(F)(F)F)c1C 76069194 FVGHMAUQEQQAEB-UHFFFAOYSA-N 304.268 2.856 0 40 DFAB Cc1c(C(=O)OCCN2CCSCC2)cnn1C1CCCC1 97031992 DUTHBYRNRRTXCV-UHFFFAOYSA-N 323.462 2.512 0 40 DFAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CC(=O)N(Cc2ccco2)C1 72400598 SXQFDORXGHWNAY-LBPRGKRZSA-N 323.352 2.748 0 40 DFAB COc1ccsc1C(=O)Nc1n[nH]c(-c2cccs2)n1 95397308 QAYAAJYNCQYPBW-UHFFFAOYSA-N 306.372 2.856 0 40 DFAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(C)C[C@H]1CCOC1 95408141 QMLNMPNFLZZNGL-HZPDHXFCSA-N 320.433 2.749 0 40 DFAB C/C=C/C[S@@](=O)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 95417647 WNCXFINUHQMGKP-SVOASRKSSA-N 321.442 2.684 0 40 DFAB Fc1cnc(Br)c(I)c1 85223689 DTGRXNDVJRRMCZ-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB in-vitro O=C(CCn1cccn1)Nc1nnc(/C=C/c2ccco2)s1 95979769 RMAHIJOYCMZEGG-SNAWJCMRSA-N 315.358 2.527 0 40 DFAB Cn1nccc1CNC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 95965941 HFKVCOILBHQFJP-DNVCBOLYSA-N 324.428 2.514 0 40 DFAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c(=O)[nH]1 74285485 UZCUTURIVZIAET-UHFFFAOYSA-N 322.368 2.645 0 40 DFAB CCO[C@H]1C[C@@H](NC2CCN(C(=O)CC)CC2)C12CCCC2 89157843 UYDFENUBHRAVCZ-CVEARBPZSA-N 308.466 2.715 0 40 DFAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 22698896 MHKGEUHCVOSFJE-UHFFFAOYSA-N 315.398 2.586 0 40 DFAB CCOC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 20437089 ZHLRBJJDIYSXCN-UHFFFAOYSA-N 322.380 2.563 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)COCC(F)(F)F)c1 60626377 ZCVOESDQZYQUTP-UHFFFAOYSA-N 318.295 2.799 0 40 DFAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 170494222 JBTHQXDADNOBMD-UHFFFAOYSA-N 303.358 2.951 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 72382405 RDROVXCFVUSZAT-CQSZACIVSA-N 311.389 2.915 0 40 DFAB CC(C)c1ocnc1C(=O)NCCc1nc2ccccc2n1C 79310230 CYOARJORGGEBMW-UHFFFAOYSA-N 312.373 2.657 0 40 DFAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(C)C)C2)n1 72359966 ZNBGCCLNWJJRRE-AWEZNQCLSA-N 312.421 2.906 0 40 DFAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)c1ccco1 71195695 DKYGUNVNEVZALW-CQSZACIVSA-N 308.341 2.668 0 40 DFAB C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(F)nc2)C1 521394866 ZHUNRXAEMKFISP-WCQYABFASA-N 322.380 2.661 0 40 DFAB O=C1[C@H](C2CCOCC2)N=C(O)N1c1cccc2ccsc12 329326777 UHFHXVXRTAAJGK-ZDUSSCGKSA-N 316.382 2.957 0 40 DFAB COc1ccccc1[C@H](O)CNC(=O)OCc1ccccc1 199812612 QDMXRUREFPWVBK-OAHLLOKOSA-N 301.342 2.655 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 40062459 POJIQWSPHDCESP-LLVKDONJSA-N 321.396 2.747 0 40 DFAB COC(=O)N1CCC(N[C@@H](c2cccc(OC)c2)C2CC2)CC1 195558105 FPWJMAQISBIWRD-QGZVFWFLSA-N 318.417 2.967 0 40 DFAB COc1cc(F)cc(NC(=O)N(C)CC2(N(C)C)CCC2)c1 225469799 HPDRJEHPLCQSEO-UHFFFAOYSA-N 309.385 2.782 0 40 DFAB CCOCc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 81638136 MFPSNSLCSCYGRS-ZBFHGGJFSA-N 306.406 2.896 0 40 DFAB CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccsc1 97953703 MRRQHRJAJSVIBV-ZMSDIMECSA-N 323.458 2.722 0 40 DFAB O=C(/C=C/c1cccc(F)c1)N1CCC(O[C@@H]2CCOC2)CC1 96450874 CRGNWJXGDQLDHN-LAQIPUCWSA-N 319.376 2.635 0 40 DFAB Cc1occc1CNC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 96436205 DNYXESCFZDMUQO-TZMCWYRMSA-N 322.405 2.898 0 40 DFAB CC[C@H](CO)NC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 96495699 RBRXQSDWSDGLMV-GFCCVEGCSA-N 322.796 2.727 0 40 DFAB CO[C@H]1CCN(CC2CCOCC2)C[C@@H]1Cc1ccccc1 96110498 MHYAWORVKBFBNA-OALUTQOASA-N 303.446 2.993 0 40 DFAB CCn1ccnc1[C@@H]1CCCCN1C(=O)NCCc1ccco1 581733918 PAQBOMZZKZYTQQ-HNNXBMFYSA-N 316.405 2.975 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCCNc2ccccn2)c1 96422175 LQSSMQWWGOAYRI-UHFFFAOYSA-N 324.428 2.832 0 40 DFAB CC(C)[C@H](NCc1cccc(C(N)=O)c1)c1ccc(F)cn1 97234088 PCQUQSXMNNRSRY-INIZCTEOSA-N 301.365 2.807 0 40 DFAB Fc1cc(OCCC2OCCO2)c(F)cc1Br 95734197 QDJUGKWXHXFFAV-UHFFFAOYSA-N 309.106 2.869 0 40 DFAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1csc2ccccc12 96041425 SSHVUWUULKBNBK-SQWLQELKSA-N 317.410 2.920 0 40 DFAB Cn1nc(CNC(=O)CSCc2ccccc2)cc1C1CC1 96099318 NORUZAVNPSSEEB-UHFFFAOYSA-N 315.442 2.847 0 40 DFAB COCc1nc2n(n1)C[C@H](N[C@H](C)[C@H]1CCC(C)=C(C)C1)CC2 583652030 YNILFPXABRAMMU-OWCLPIDISA-N 318.465 2.854 0 40 DFAB CC(=O)N1CCC[C@H](c2nc(Cl)cc(-c3ccncc3)n2)C1 256049941 CAGVBKUFQSMJHS-ZDUSSCGKSA-N 316.792 2.918 0 40 DFAB Cc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)o1 254378494 IISZEJOUVWMWQR-UHFFFAOYSA-N 323.377 2.576 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC(c2cncc(C)n2)CC1 257261348 LGYKREIOVLSATE-UHFFFAOYSA-N 314.389 2.664 0 40 DFAB CC(=O)c1cc(C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)ccc1C 252501744 UJBBBDUQGKTJJS-LBPRGKRZSA-N 318.417 2.573 0 40 DFAB Cc1c[nH]c(-c2cc([C@@H]3CCCN3c3ccncn3)nc(C)n2)n1 257232360 GKOGJPNIUVCEEX-HNNXBMFYSA-N 321.388 2.615 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 299850993 ROPUISJDLDPYIJ-CQSZACIVSA-N 321.428 2.995 0 40 DFAB COc1ccccc1NC(=O)Cn1nc(C)nc1-c1ccccc1 66081397 PINCUJDYJAZUOE-UHFFFAOYSA-N 322.368 2.901 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(Br)cc1C 62639926 YDKGQCARRCYITB-UHFFFAOYSA-N 315.211 2.994 0 40 DFAB NC(=O)[C@@H]1CCCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)C1 63654429 HAQULHUZYKAJLD-CYBMUJFWSA-N 321.380 2.659 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3C)cc2)CC1 97113580 MLADIWWMZWTHBL-DNVCBOLYSA-N 315.461 2.951 0 40 DFAB COC(=O)C1(C[C@@H]2CC(c3cccc(C)c3)=NO2)CCOCC1 19234570 UXDRRAPOTNBLEK-HNNXBMFYSA-N 317.385 2.848 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)n[nH]2)cc1OC 19458684 PAVQLEHDQRKRRM-JTQLQIEISA-N 315.373 2.795 0 40 DFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4cnccn4)C3)ccc2O1 19497924 CJROIOWGTPZVNE-ZFWWWQNUSA-N 323.396 2.820 0 40 DFAB C[C@@H]1c2ccsc2CCN1CC(C)(C)CN1CCN(C)CC1 19498346 JSFNGVKTERVXQG-OAHLLOKOSA-N 321.534 2.941 0 40 DFAB Cc1ncccc1C(=O)N[C@@H](Cn1nnc2ccccc21)C(C)C 12145036 MTUQKLWGOVHQDQ-INIZCTEOSA-N 323.400 2.589 0 40 DFAB C[C@H]1CC[C@H]2[C@H]3C[C@@H]4C[C@]2(O)[C@@]2(C[C@H](O)[C@H]5CCCC[C@@H]5[C@H]42)N13 2048392567 AGKXKKZYQAPZDW-OWWAHWNOSA-N 317.473 2.550 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1 82783 CWHIOZSNQIDMIF-UHFFFAOYSA-N 321.789 2.939 0 40 DFAB COc1ccc(NC(=O)[C@@](F)(OC)C(F)(F)F)c(OC)c1 2501607 HBWUHALDFGFYNM-LLVKDONJSA-N 311.231 2.517 0 40 DFAB COc1ccccc1C1(C(=O)Nc2ccccn2)CCOCC1 16985588 FZMWVJBCYIJJHQ-UHFFFAOYSA-N 312.369 2.777 0 40 DFAB CN(C)CCN(C(=O)C1CCC1)c1nc2ccccc2s1 36642162 VWEBPZWATWINQZ-UHFFFAOYSA-N 303.431 2.991 0 40 DFAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCC1 38500665 IDTXUPHXQHTLRC-UHFFFAOYSA-N 303.337 2.646 0 40 DFAB C[C@@H](NC(=O)CCn1cncn1)c1ccc(C(F)(F)F)cc1 30114851 JQQHZSNAQSQQBQ-SNVBAGLBSA-N 312.295 2.564 0 40 DFAB C[C@H]1CCCCN1c1nc2nonc2nc1N1CCCC[C@H]1C 82829 SJIYTUWDXKDJBT-TXEJJXNPSA-N 316.409 2.770 0 40 DFAB Cc1cc(NC(=O)CNc2ccc3nc(C)sc3c2)no1 40461009 MLKPGGITBNXQEJ-UHFFFAOYSA-N 302.359 2.952 0 40 DFAB COc1ccc(-c2csc3nc(C)[nH]c(=O)c23)cc1OC 11328254 FOXUMRCUZSOQHZ-UHFFFAOYSA-N 302.355 2.977 0 40 DFAB COC(=O)c1ccc(Cn2cnc3sc(C)c(C)c3c2=O)o1 7005626 FZQDOLPUDLLKPP-UHFFFAOYSA-N 318.354 2.503 0 40 DFAB COc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cn1 1353204 CEEIAUQQQULCAM-UHFFFAOYSA-N 313.357 2.937 0 40 DFAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)SC 40540940 CXYMAIBBJMQVLI-UKRRQHHQSA-N 323.458 2.954 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 7614224 VCMTXZSTIVUUAB-UHFFFAOYSA-N 304.371 2.844 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 386175 ITRVSHJNWDCFIU-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)C2(c3ccccc3)CC2)c1 21560570 FWQTZGKWBDMHCF-UHFFFAOYSA-N 319.368 2.547 0 40 DFAB CCc1ccc(Cn2nccc2NC(=O)c2cnccn2)cc1 21599412 HKPDEQBZBBHGKT-UHFFFAOYSA-N 307.357 2.536 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)NC1CCCC1)CC2 32843771 NSFTXCHULQZCPW-UHFFFAOYSA-N 304.390 2.714 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2O)cc1 9513004 DNDZWLRANBFEAX-LLVKDONJSA-N 315.325 2.585 0 40 DFAB O=C(COC1CCCC1)NC1CCN(c2ccc(F)cc2)CC1 53260759 JADHVEUCQUSOEL-UHFFFAOYSA-N 320.408 2.870 0 40 DFAB CC[C@H]1CCc2sc(C(=O)NCCCn3cncn3)cc2C1 41862442 RORXXIPXOMGPLS-LBPRGKRZSA-N 318.446 2.675 0 40 DFAB Cc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)n1C 23575408 GZEFWIIXTOPBNT-UHFFFAOYSA-N 308.328 2.794 0 40 DFAB O=C(CCc1ccccc1)NCc1cccnc1-n1cccn1 24642957 KCBFZBYMWDNBPN-UHFFFAOYSA-N 306.369 2.516 0 40 DFAB CCc1cccc(NC(=O)NCCNC(=O)c2ccccc2)c1 43333576 CUFCTRDDHCVVJB-UHFFFAOYSA-N 311.385 2.801 0 40 DFAB COC(=O)C1(NC(=O)Cc2c[nH]c3ccccc23)CCCCC1 25168187 XGRQYAOROYQTAR-UHFFFAOYSA-N 314.385 2.703 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccccc2Cn2cncn2)c1 55968970 AXZRCXHBSZEHGR-UHFFFAOYSA-N 322.368 2.652 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)[C@@H]1C 57003475 QRUNIIHNLKWMIE-LQPBRMSDSA-N 302.418 2.769 0 40 DFAB CCC(=O)N1CCc2cc(C(=O)N[C@H](C)c3ccncc3)ccc21 44843845 NCDNKISYELMEQB-CYBMUJFWSA-N 323.396 2.872 0 40 DFAB O=c1[nH]ncc(NC[C@H](c2ccco2)N2CCCCC2)c1Cl 44874372 AGKZYFFCYAOFPV-GFCCVEGCSA-N 322.796 2.655 0 40 DFAB O=C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@@H]2C[C@H]2C1 408497092 IKGXUSBZGQSFKO-HLTSFMKQSA-N 319.835 2.643 0 40 DFAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CC[C@@H]2CCCC[C@H]2C1 12752514 WSYJHQFTJZLGLQ-WFASDCNBSA-N 311.389 2.519 0 40 DFAB Cc1c(NC(=O)C[C@H]2C=CCC2)c(=O)n(-c2ccccc2)n1C 12918102 SELAVIBTUOFOHC-AWEZNQCLSA-N 311.385 2.779 0 40 DFAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1ccnc2ccccc12 68054500 CAGAMNBGWPZIFR-LLVKDONJSA-N 317.414 2.950 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68650724 CDAIOFMWOLYXKD-SFGNSQDASA-N 316.184 2.775 0 40 DFAB CCCSCC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69451979 MORVYQVIIBGIET-CQSZACIVSA-N 322.474 2.781 0 40 DFAB CCc1n[nH]c(Sc2ccc3nnc(-c4ccccc4)n3n2)n1 69491019 RKEIIXHZEAIKAE-UHFFFAOYSA-N 323.385 2.623 0 40 DFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCCCC1 6322555 HYXMMHYGZPEHSW-UHFFFAOYSA-N 308.432 2.638 0 40 DFAB C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@H](c2ccccc2)O1 65613992 LUKFVSFVLUUJOE-RDTXWAMCSA-N 311.381 2.923 0 40 DFAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)CCC2 5453350 DTBOFHODDGINOJ-UHFFFAOYSA-N 319.364 2.524 0 40 DFAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1O 6536004 QSWTUJQSHDOYKO-CQSZACIVSA-N 314.366 2.834 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)c(F)c1 8259595 INFSQUGJXHPFHW-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccccc1F 6610332 CADCOTANLSHRPW-UHFFFAOYSA-N 316.332 2.974 0 40 DFAB Cc1noc(CCCNC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)n1 66724482 NATMKSVLHDOJPW-VLPCURTJSA-N 315.373 2.857 0 40 DFAB C[C@H](Cn1cccn1)NC[C@H](O)c1ccccc1C(F)(F)F 69373833 MGIMRORVQGKWBX-RISCZKNCSA-N 313.323 2.614 0 40 DFAB O=C(CCn1ccnn1)NCc1ccc(Oc2ccccc2)cc1 69518366 FSGFXGFNYPZJET-UHFFFAOYSA-N 322.368 2.777 0 40 DFAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C)Cn2ccnc2)s1 89656396 URFRBIUUBDEIDJ-BNOWGMLFSA-N 303.431 2.809 0 40 DFAB Cc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc1 69742224 LYQXANRZHGRDLH-UHFFFAOYSA-N 303.406 2.613 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)c2sccc2C)c1 69816791 RAEVNALYVGHMPO-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1ccccc1F)C2=O 19322909 BJXHGMUFAVPXBZ-UHFFFAOYSA-N 302.393 2.831 0 40 DFAB biogenic Cc1nn(C)c(C)c1CN[C@H](C)c1ccc2c(c1)OCCO2 9862550 BKPWWNXNZSHAIK-LLVKDONJSA-N 301.390 2.659 0 40 DFAB CCSc1ccc(Cl)cc1C(=O)NCc1nnc(C)n1C 84188077 PZWNOPCRCBAKSR-UHFFFAOYSA-N 324.837 2.819 0 40 DFAB C[C@@H](NCC(=O)Nc1ccccc1F)[C@H]1COc2ccccc21 96014160 QDGBVAJBWHNQSY-TZMCWYRMSA-N 314.360 2.919 0 40 DFAB Cc1cccc(S(=O)(=O)NCC(C)(C)C[C@H](C)O)c1Cl 96010024 LMCCAJXQSRMUFB-NSHDSACASA-N 319.854 2.724 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cccc(C)c2)c1O 9512682 FGUDAMLDEDIRAM-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 71866329 VEOPHXROTUYXNX-BRWVUGGUSA-N 313.376 2.817 0 40 DFAB CCN(C(=O)[C@@H](C)[S@](=O)Cc1cc(C)on1)c1ccccc1 71859254 GPKCXVSLVVZZSL-DMZKTXOQSA-N 320.414 2.673 0 40 DFAB CC(C)C[C@H](N[C@@H]1CC[C@@H](C)C1)c1nc(-c2nc[nH]n2)no1 97035062 ZIZDLUOGQKDDBO-UTUOFQBUSA-N 304.398 2.720 0 40 DFAB NC(=O)c1csc(CNCCc2ccc(F)cc2Cl)c1 97019303 RAJFSZDTXMONQX-UHFFFAOYSA-N 312.797 2.972 0 40 DFAB Cc1cc(O)ccc1NC(=O)Nc1ccccc1Cn1cncn1 97104791 SQHONMYFJKWVGC-UHFFFAOYSA-N 323.356 2.984 0 40 DFAB NC(=O)c1ccc(NC(=O)NCCC2=CCCCC2)c(F)c1 72309701 IJJHTGCHVCKGJR-UHFFFAOYSA-N 305.353 2.937 0 40 DFAB Cn1ccnc1C[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 97376955 GCPWZEYXIGXCKL-AWEZNQCLSA-N 315.465 2.895 0 40 DFAB Cc1ncccc1C(=O)NC1(c2cccc(F)c2)CCOCC1 72533706 JDWAJFSFGOARCN-UHFFFAOYSA-N 314.360 2.965 0 40 DFAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccccc1OCC1CC1 76070602 KSQVPTDREAGSNZ-HIFRSBDPSA-N 304.390 2.758 0 40 DFAB COC(=O)[C@@H](C)CNC(=O)Nc1cc(F)c(F)cc1Cl 84638408 ROOPUIGSKMVVGR-LURJTMIESA-N 306.696 2.549 0 40 DFAB COCc1ccccc1CNC(=O)C[S@@](=O)C1CCCCC1 95417849 ZFFZXKGLBPXQTI-QFIPXVFZSA-N 323.458 2.531 0 40 DFAB c1cc2c(cc1-c1csc(CN3CCOCC3)n1)COC2 76316317 XYYVSYYVLQZEHZ-UHFFFAOYSA-N 302.399 2.673 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@H]1OCCc2ccccc21 95445484 MCSXTZHNXPCOPY-VMGRFDJRSA-N 315.369 2.522 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1nc(C)c(C)s1)CC2 84800896 RKJVZBFFERRCCU-ZIAGYGMSSA-N 310.463 2.512 0 40 DFAB O=C(c1nccn2ccnc12)N(C1CC1)C1Cc2ccccc2C1 73365189 FHUZPEXELGRECB-UHFFFAOYSA-N 318.380 2.501 0 40 DFAB C[C@H](CNC(=O)Nc1cccnc1)CN(C)C(=O)OC(C)(C)C 78644773 SOTNGLJYTYCGAR-GFCCVEGCSA-N 322.409 2.706 0 40 DFAB C[C@@H](NCc1ccncc1Cl)c1ccc(S(C)(=O)=O)cc1 95984370 SNVMBSLLKDABOF-LLVKDONJSA-N 324.833 2.989 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 78951409 VHMIKAKPZKLXAS-NOLJZWGESA-N 306.406 2.607 0 40 DFAB COC(=O)Cc1cccc(NC(=O)CCCc2ccccn2)c1 89400959 VSHWLYWTRPZRMS-UHFFFAOYSA-N 312.369 2.759 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccco3)C2)C1 306124203 BJGXWBCQAOCKAN-VUNQQRPYSA-N 320.408 2.698 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(C)c1 408486388 SLKHXTYFHURNDD-HZSPNIEDSA-N 307.415 2.545 0 40 DFAB CCc1cnccc1C(=O)NCc1cc(F)cc2c1OCOC2 182532215 FXGNSLKBILPZME-UHFFFAOYSA-N 316.332 2.580 0 40 DFAB CC(C)c1noc(-c2ccc(OCC(=O)NCC3CC3)cc2)n1 32579036 KGJQMFLEIWRODP-UHFFFAOYSA-N 315.373 2.765 0 40 DFAB CC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 38666429 DEJRJASRQJTJMG-UHFFFAOYSA-N 307.444 2.536 0 40 DFAB CC(=O)c1c[nH]c(C(=O)OCc2cc(Cl)c3c(c2)OCO3)c1 32768679 VGQBZWDMYGYCBU-UHFFFAOYSA-N 321.716 2.956 0 40 DFAB C[C@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 72203969 ZZBRODJIOYUUOZ-UONOGXRCSA-N 320.437 2.917 0 40 DFAB Fc1ccc2c(c1)OCCC[C@@H]2NCc1nnc2ccccn12 183810405 QNHJJWDPJXKEIM-AWEZNQCLSA-N 312.348 2.872 0 40 DFAB O=C(NC1CC1)c1ccc(N2CC[C@@H](Nc3ccccc3)C2)nc1 78988110 BSCLVTLBMJTHQQ-QGZVFWFLSA-N 322.412 2.665 0 40 DFAB CCOc1cc(C)ccc1NCC(=O)Nc1c(C)nn(C)c1C 86201943 HYJXEKMTWPOEOC-UHFFFAOYSA-N 316.405 2.795 0 40 DFAB COc1ccc(-c2cnn([C@@H](C)C(=O)NCC(C)C)c2)cc1 227154275 QIIUQVAOIRXMTB-ZDUSSCGKSA-N 301.390 2.892 0 40 DFAB CC(=O)c1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 225719828 WVMWVJBNFPHQRB-UHFFFAOYSA-N 320.348 2.843 0 40 DFAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1 225893890 TUGUKAJFQQWPGP-QGZVFWFLSA-N 324.421 2.887 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@@H](CN(C)C)C1 195570450 STTGQFDFXBUFDC-ROUUACIJSA-N 317.477 2.909 0 40 DFAB CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 41123872 FEPHZBWKRAITDX-XQQFMLRXSA-N 307.394 2.816 0 40 DFAB CN(C)CCCNC(=O)CCc1c(Cl)cccc1Cl 225353411 FVNDUABHCBDBNJ-UHFFFAOYSA-N 303.233 2.994 0 40 DFAB CCN(CC)C(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O 225432658 XTBDAONBZUCPHR-NSHDSACASA-N 318.373 2.886 0 40 DFAB biogenic,in-vitro O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)O2 226761915 NXUZGKKWJNEQJT-GJZGRUSLSA-N 320.348 2.719 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N(CCO)C1CC1 96404212 WJEVMHRFKUOXMD-INIZCTEOSA-N 306.381 2.833 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2C1)N1C[C@H]2CC=CC[C@H]2C1 96439156 PIEGCBMBMWGMRB-OIISXLGYSA-N 312.413 2.845 0 40 DFAB CCn1cc2c(n1)[C@H](COC)CN(Cc1ccc(OC)cc1)C2 96059886 KYNSLRYZSQCRDM-INIZCTEOSA-N 315.417 2.657 0 40 DFAB COCCN1[C@@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C 248835284 MEGWTMPCMXFIQJ-FGTMMUONSA-N 324.509 2.909 0 40 DFAB O=C(C1CCC1)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 257326613 WXWVYCAPGXHPKT-AWEZNQCLSA-N 312.373 2.985 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(N2CCOC2=O)c1 257310838 UGVLGSCZKVXHFR-CYBMUJFWSA-N 317.389 2.748 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)n1 257311452 UJNJTDSXRCBEJW-CYBMUJFWSA-N 301.415 2.941 0 40 DFAB Cc1cccnc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 46469290 LZLUISSGZSIBOB-ZDUSSCGKSA-N 301.394 2.823 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(N)cc1 47844005 QLRFXKYTGSVXQJ-AWEZNQCLSA-N 320.389 2.825 0 40 DFAB in-vitro CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1SC 65624898 JRWFRMMRMPCBAY-MNOVXSKESA-N 309.435 2.833 0 40 DFAB CC(=O)N1CCCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 65608864 KCUHVXBZEDXPBH-GOEBONIOSA-N 308.466 2.920 0 40 DFAB COc1cc(CN(C)C(=O)Nc2cnn(C(C)C)c2)sn1 1548602597 CQQIRJDHQMDBNC-UHFFFAOYSA-N 309.395 2.593 0 40 DFAB CCOC(=O)[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910187 WNCSZYAIOGIGCH-SSDOTTSWSA-N 307.234 2.755 0 40 DFAB CCCn1nc(C)c(CN2CC[C@H](Oc3ccncc3)C2)c1C 93865723 KVKYMTNJNZAZLJ-KRWDZBQOSA-N 314.433 2.958 0 40 DFAB O=C(NCCC1CC1)N1CCC(OC[C@@H]2CCCCO2)CC1 78336283 RLPKMOOLOLSUBI-INIZCTEOSA-N 310.438 2.546 0 40 DFAB O=C(c1ccoc1)N1CCC(NCc2ccc(Cl)o2)CC1 78892445 MUCSFVKQWVOFOC-UHFFFAOYSA-N 308.765 2.920 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)COC1CCCC1)C2 97199037 GATNQSSLPPPEJP-ZDUSSCGKSA-N 319.449 2.571 0 40 DFAB Cc1cccc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)n1 97142721 IBZLMXXTPZCFTH-GFCCVEGCSA-N 314.393 2.762 0 40 DFAB Cc1cc2nc3s/c(=C\c4ccc(O)cc4)c(=O)n3c2cc1C 248606 JCHYEBGSFGUBJM-SXGWCWSVSA-N 322.389 2.779 0 40 DFAB Cc1nc(C)n(CC(=O)Nc2nc3c(s2)CCCCCC3)n1 19285817 HGIDUZZPJSXZAE-UHFFFAOYSA-N 319.434 2.649 0 40 DFAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cn(C)c2ccc(F)cc12 19575174 ATKKSDBOLOEDBA-CJNGLKHVSA-N 301.409 2.986 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(c3ncc(F)cn3)C2)ccn1 1776001201 DVFQXLATQLQZDL-CYBMUJFWSA-N 302.353 2.615 0 40 DFAB CCCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 8584008 ASZBWFVCRDIHJZ-UHFFFAOYSA-N 300.402 2.994 0 40 DFAB NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 184392 VCCBMCRDPQVOBY-IMTBSYHQSA-N 316.308 2.704 0 40 DFAB COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(C)=O 419837 MNKJDXRCFHDCPD-UHFFFAOYSA-N 304.302 2.508 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(F)cc1)C2O 19320841 CZKYNFQZXYQVPI-UHFFFAOYSA-N 304.409 2.623 0 40 DFAB C[C@H](Cc1ccccc1Cl)NC(=O)CCCNC(=O)C1CC1 40535942 SVJLLFKTFUBORW-GFCCVEGCSA-N 322.836 2.694 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 40553222 DPBIBEFARONRTN-PHIMTYICSA-N 304.419 2.662 0 40 DFAB COc1ccccc1[C@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21 4944827 QJFYUOVNFIWQNH-CYBMUJFWSA-N 321.332 2.978 0 40 DFAB Cc1noc(C)c1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 29115039 PIQQKORHVCRDKZ-AWEZNQCLSA-N 304.321 2.644 0 40 DFAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)C3CC3)n2)cc1 11669019 YKTOLCQMXYXAOF-LLVKDONJSA-N 315.373 2.593 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1ccsc1 51852864 LABIJVIOBSJPGN-ZDUSSCGKSA-N 304.419 2.864 0 40 DFAB CC(C)(C)NC(=O)CS(=O)(=O)c1ccc2ccccc2c1 386122 CSAHDDQTIJSIGJ-UHFFFAOYSA-N 305.399 2.528 0 40 DFAB CC(C)N(CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C 32727786 LCFDLWHSQQMKPA-UHFFFAOYSA-N 314.433 2.721 0 40 DFAB O=C(CCc1cccnc1)Nc1ccc(N2CCCC2=O)cc1 8144502 SIZZKMDRRQLHOZ-UHFFFAOYSA-N 309.369 2.780 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 21891715 SQFITNRNJPPHTK-CYBMUJFWSA-N 324.336 2.538 0 40 DFAB C[C@H](CNC(=O)CCc1cccnc1)N1CCc2ccccc21 33056412 VMMPNNLBBOBGDW-OAHLLOKOSA-N 309.413 2.582 0 40 DFAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N)cc1 501399 TVGJNUTVAZBUMN-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB C[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)N1CCCC1 42227165 SWLZXDJIIUZJNI-CYBMUJFWSA-N 302.397 2.790 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2nc(-c3cnccn3)no2)cc1 89647517 WCUNQKLIMLRCCL-OAHLLOKOSA-N 307.357 2.864 0 40 DFAB Cn1ccnc1COc1ccc(NC(=O)c2ccccn2)cc1 42708589 PHZYVXMFXPEQLJ-UHFFFAOYSA-N 308.341 2.646 0 40 DFAB Cc1cccn2c(=O)cc(CN[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc12 105701747 CUJUMNWOBOBOFV-QBYUYEEZSA-N 311.429 2.917 0 40 DFAB Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)s1 43163010 ZIASVATUGYDSBG-UHFFFAOYSA-N 318.398 2.827 0 40 DFAB Cc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1F 43281195 OBJZFZDTWSXBDO-UHFFFAOYSA-N 320.393 2.945 0 40 DFAB NC(=O)[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl 1385466 ZRRREUQZVOLXIC-JTQLQIEISA-N 315.682 2.766 0 40 DFAB CCC(CC)n1ccc(C(=O)N(C)c2cccnc2OC)n1 89943239 ODSAAKUXKCVYKW-UHFFFAOYSA-N 302.378 2.924 0 40 DFAB O=C(Nc1ccccc1CN1CCSCC1)N1CCCC1 61789752 NDHHFFCYICQUMF-UHFFFAOYSA-N 305.447 2.863 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)no2)cc1OC 25878717 DUWNPNHNQPFZHK-CYBMUJFWSA-N 316.357 2.978 0 40 DFAB CCCN(CCC)C(=O)Cn1cnc2ccc(Cl)cc2c1=O 57519973 WFCPFMDTYLAMDA-UHFFFAOYSA-N 321.808 2.699 0 40 DFAB CC(C)c1nc(CCNC(=O)c2ccc3c(c2)OCO3)cs1 58247186 APFQREMSQKHJOU-UHFFFAOYSA-N 318.398 2.968 0 40 DFAB CC1CCN(C[C@H](O)CN2C(=O)c3cccc4cccc2c34)CC1 58369496 RVSNKJPAFHHLOM-INIZCTEOSA-N 324.424 2.893 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1cccc(C)n1)c1cccs1 10431129 VFMWYFYINDAXKR-GFCCVEGCSA-N 303.387 2.658 0 40 DFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc[n+]1[O-] 45054647 GVAQRJWIIGJJSH-LLVKDONJSA-N 313.382 2.763 0 40 DFAB CN(Cc1ccsc1)C(=O)NC[C@@H]1Cc2ccccc2O1 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CCC(=O)Nc1ccc(C)c(NC(=O)NCCN(CC)CC)c1 65490984 JHJJGKMQDVVWOE-UHFFFAOYSA-N 320.437 2.807 0 40 DFAB Cc1cc(NC(=O)CN2CCCC[C@H]2C)n(-c2ccccc2)n1 14119880 RXWFNITXNRHHHQ-OAHLLOKOSA-N 312.417 2.994 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](F)CC[C@@]43C)[C@@H]1CCC2=O 123369071 PZCDECBEYLOJKW-QXXNEOHLSA-N 324.436 2.878 0 40 DFAB COc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2C 14898666 SCZXWXYOFSUOOJ-UHFFFAOYSA-N 324.384 2.524 0 40 DFAB O=C(COCC1CC1)N1CCO[C@@H](c2ccccc2Cl)C1 69873924 ABDRCSQYXZBDRM-OAHLLOKOSA-N 309.793 2.667 0 40 DFAB C[C@H]1Cc2ccccc2N(C(=O)c2ccc(CNC(N)=O)cc2)C1 69869598 FNYWBRHHILCJSM-ZDUSSCGKSA-N 323.396 2.694 0 40 DFAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)no1 66688259 JGSCXSHLAUSYPS-CQSZACIVSA-N 324.739 2.989 0 40 DFAB Cc1cccc(-n2c(C)nnc2S[C@H]2CCCCNC2=O)c1 8708787 WFVUSNQFGSXERS-AWEZNQCLSA-N 316.430 2.645 0 40 DFAB Cc1nc(NC(=O)CSc2ncn[nH]2)c(Cl)cc1Cl 7603401 NRCKDRBATLMFRQ-UHFFFAOYSA-N 318.189 2.546 0 40 DFAB CC[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 7737447 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Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)c1 67947672 IGVBLNRKDYJDSS-CYBMUJFWSA-N 321.384 2.975 0 40 DFAB O=C(NCCN1CCc2sccc2C1)c1occ2c1CCC2 507502222 BADAODLERAXSPH-UHFFFAOYSA-N 316.426 2.618 0 40 DFAB Fc1ccc([C@@H]2COCCN2Cc2nnc(C3CC3)o2)cc1 519805452 ONZZVUWTYNSMDP-AWEZNQCLSA-N 303.337 2.660 0 40 DFAB Cc1cc(NCCCO)n2nc(C)c(-c3cccs3)c2n1 72341689 PKFZCZJAUIPVDM-UHFFFAOYSA-N 302.403 2.869 0 40 DFAB CCOc1cccc(CNS(=O)(=O)Cc2ccccc2F)c1 38755310 KNYPIAVMFQWOJX-UHFFFAOYSA-N 323.389 2.844 0 40 DFAB Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H](O)C12CCCC2 554487591 VRCKTQFWTYTISL-CYBMUJFWSA-N 306.406 2.701 0 40 DFAB CC(C)[C@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(N)=O 79040677 NOBSSHQOHPYHLL-PELKAZGASA-N 317.216 2.723 0 40 DFAB c1ccc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1 433807072 BYPIYJPDCKLNOY-UHFFFAOYSA-N 321.428 2.564 0 40 DFAB O=C(OC1CCCCC1)C1CCN(C(=O)N2CCCC2)CC1 71918741 QQTISTLHPZVEBC-UHFFFAOYSA-N 308.422 2.790 0 40 DFAB CC(=O)N1CCN(c2ccccc2)C[C@H](Cc2ccccn2)C1 72374453 PKLNUNITDMAFAJ-QGZVFWFLSA-N 309.413 2.609 0 40 DFAB C[C@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn12 217555338 LSVKWMHUEHNYOQ-QMMMGPOBSA-N 318.178 2.574 0 40 DFAB O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)s2)o1 40478886 SKBFDTKAQPCZHP-UHFFFAOYSA-N 306.748 2.667 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1coc2ccccc12 195530249 SQRXFUDRSKIGKA-HNNXBMFYSA-N 309.321 2.859 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C[C@H]1C 190399361 SLVOPWLGOCXWOW-SCDSUCTJSA-N 322.405 2.798 0 40 DFAB Cc1noc(C)c1CCC(=O)NCc1ccc(-c2cnc[nH]2)cc1 521396465 USWPXHROBJZIQQ-UHFFFAOYSA-N 324.384 2.931 0 40 DFAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCN(C)CC1 226258483 NQIGLYAORDPBKQ-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB Cc1n[nH]c2ncc(CNc3ccc(N4CCCC4)cn3)cc12 48343060 WRCHMSJTMGULRY-UHFFFAOYSA-N 308.389 2.874 0 40 DFAB Cn1ccnc1C(=O)NCCc1csc(-c2ccccc2)n1 84859878 JTGQJQTWWOZJHC-UHFFFAOYSA-N 312.398 2.516 0 40 DFAB Ic1ccc(CO[C@H]2CCCNC2)cc1 42782965 HUZAWMFKVFEKJX-LBPRGKRZSA-N 317.170 2.560 0 40 DFAB O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1O 40286866 MUHVOJNITZDASY-UHFFFAOYSA-N 314.366 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Cn1ccs/c1=N\C(=O)c1cc(Cl)c2c(c1)OCCCO2 102902220 MEOJLLVKJXPIGD-PEZBUJJGSA-N 324.789 2.642 0 40 DFAB C[C@@H]1CCCN(CCCCNC(=O)c2ccc3c(c2)CCO3)C1 46991843 ZQPHLSSLCDYMOE-OAHLLOKOSA-N 316.445 2.863 0 40 DFAB NC(=O)CCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 42924443 GZIBYQOMNJVPGB-UHFFFAOYSA-N 308.809 2.534 0 40 DFAB CC[C@]12C[C@]1(C(=O)OC)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]12 104218726 MUSGCDBEXYWBFP-ATZDWAIDSA-N 324.380 2.567 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2cnn3cccnc23)cc1 25050159 SXBHTKXJHCMQIS-LBPRGKRZSA-N 310.357 2.619 0 40 DFAB CC(C)N1C[C@H](C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1=O 47430584 NPZYHINFTNXZES-GFCCVEGCSA-N 318.417 2.885 0 40 DFAB COc1cccc(N2C(=O)C[C@@H](n3cnc4ccccc43)C2=O)c1 1440592 FWPSPBVEQBCUAO-MRXNPFEDSA-N 321.336 2.550 0 40 DFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)N1CCCC[C@H]1C 34867680 SPAJFGGSVGORAH-LSDHHAIUSA-N 310.463 2.717 0 40 DFAB CCCc1nnc(NC(=O)NC[C@@H](c2ccco2)N(C)C)s1 43557403 NYZYEVHATOKQCA-JTQLQIEISA-N 323.422 2.508 0 40 DFAB C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccn1 25405589 MZVWXIZGVNUXJS-ZDUSSCGKSA-N 317.433 2.544 0 40 DFAB O=C(Nc1nncs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 56527870 CJEUAAAFAQYECD-RYUDHWBXSA-N 322.365 2.719 0 40 DFAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1O 108475430 KWGHMZORHNOOLV-MAUKXSAKSA-N 324.424 2.571 0 40 DFAB COc1ccccc1NC(=O)COC(=O)CCc1ccccc1 1961875 KSKMCCCVFANMPA-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB c1nc(NCc2ccc(CN3CCCCC3)cc2)c2cn[nH]c2n1 12556916 NIKMEXFYLMYPOY-UHFFFAOYSA-N 322.416 2.951 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H]1CCCO1 27397363 KGUDGZFPJPCYJV-LLVKDONJSA-N 306.387 2.549 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)c(C)c1 10083729 PGVNBCBFFJZOPX-UHFFFAOYSA-N 307.357 2.746 0 40 DFAB Cc1ccccc1CN1C[C@H](C(=O)N(C)C)Oc2ccccc21 58265102 PNKYEMVXWCPYDT-GOSISDBHSA-N 310.397 2.851 0 40 DFAB O=C(NCc1noc(-c2ccccc2)n1)c1cc(F)cc(F)c1 58289964 QTOYATDULDQESA-UHFFFAOYSA-N 315.279 2.945 0 40 DFAB O=C(NCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 58213251 VUTNCPFAHLBDRO-QGZVFWFLSA-N 312.413 2.581 0 40 DFAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cn[nH]c1 58311047 YAXGGOJNXKEJSC-UHFFFAOYSA-N 313.382 2.902 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@@H](C)c1cccs1 10518988 MBZBWLBLJXKRFS-VIFPVBQESA-N 300.405 2.735 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)NCCc1cccc(F)c1 45132142 VCOFFULCLJZBOD-UHFFFAOYSA-N 305.353 2.815 0 40 DFAB CC(C)CCOc1cccc(OCC(=O)NC[C@@H]2CCCO2)c1 3197933 FXAILPOEBLNDSL-KRWDZBQOSA-N 321.417 2.786 0 40 DFAB C[C@@H]1CN(Cc2nc(-c3ccccc3Cl)no2)C[C@@H](C)O1 16333215 PTJSGBQLSXEIMD-GHMZBOCLSA-N 307.781 2.999 0 40 DFAB CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1cccc(F)c1 20026338 LZIMSOVSKYQHKO-DLBZAZTESA-N 301.365 2.569 0 40 DFAB CN(C)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601737 LZTYBFMRFDXXED-JTQLQIEISA-N 318.320 2.597 0 40 DFAB C[C@@]1(C(=O)N2CCc3ccccc3C2)Cc2ccccc2C(=O)O1 12772108 AHXFBEACMPRYPU-FQEVSTJZSA-N 321.376 2.743 0 40 DFAB COc1ccc([C@@H](NC(=O)c2cnn(C)c2)c2ccccc2)cc1 48287292 YBMQKSHSMVLVHA-SFHVURJKSA-N 321.380 2.948 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)CC(C)C 48289870 NUWPVOFAVNARKS-JTQLQIEISA-N 319.448 2.590 0 40 DFAB CC(C)NC(=O)CNC(=O)c1sc2ccccc2c1Cl 12976745 KGXZYLIWFYAWDI-UHFFFAOYSA-N 310.806 2.809 0 40 DFAB Cc1cc(N(C)C)ccc1NC(=O)CSc1nncs1 49095989 JCPYWTQUWQUMLN-UHFFFAOYSA-N 308.432 2.643 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCCSCC2)c1 63243062 XGKKFKFKKFOCDL-ZDUSSCGKSA-N 307.415 2.622 0 40 DFAB COc1cccc(CC(=O)N2CCc3cc(C(=O)O)ccc32)c1 13449299 JUPDTTDOZWCWGW-UHFFFAOYSA-N 311.337 2.525 0 40 DFAB Cc1nnc2n1N1C(=CS[C@@H]1c1ccc3c(c1)OCO3)S2 20724280 UOXLDEMTWVKXPS-GFCCVEGCSA-N 318.383 2.603 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 113739906 CGNRTMKJPGIJJN-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB CSCC[C@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O 4192955 RKJHURMMGACICH-VIFPVBQESA-N 323.443 2.798 0 40 DFAB Nc1nc(Cl)cc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 59386687 XYXWFLVBHNWXFX-ZDUSSCGKSA-N 317.824 2.789 0 40 DFAB Cc1oc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1Br 65473088 UOMMZDMLIDYHRP-YUMQZZPRSA-N 316.195 2.908 0 40 DFAB COc1ccccc1-c1nc2ccc(Cl)cc2c(=O)n1O 5362028 KLQMRIMBOKJCMJ-UHFFFAOYSA-N 302.717 2.963 0 40 DFAB NC(=O)c1ccc(O[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 14200742 IKXTUSHLJGALSR-KRWDZBQOSA-N 324.380 2.528 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 69528081 XVSJZXDJKGISNA-ZIAGYGMSSA-N 322.474 2.925 0 40 DFAB Cc1nc2ccccc2n1Cc1nc2ccccc2n1CC(=O)O 8715641 OBTNCBUHBXKELF-UHFFFAOYSA-N 320.352 2.827 0 40 DFAB CC[C@H]1c2ccccc2CCN1CC(=O)NCc1ccccn1 71907878 SBCIAXUUONMBNV-SFHVURJKSA-N 309.413 2.707 0 40 DFAB c1ccc(Cn2nnnc2SCc2cn3ccccc3n2)cc1 9367301 KNXZOCWGNHGBBY-UHFFFAOYSA-N 322.397 2.661 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)C(C)(C)Oc1cccc(Cl)c1 71903013 GSGWKPLRLZDKRY-LBPRGKRZSA-N 321.808 2.899 0 40 DFAB O=C1[C@H](NC[C@@H]2CCCn3ccnc32)CCCN1c1ccccc1 89845618 KDVKUSPLMXADRH-DOTOQJQBSA-N 324.428 2.546 0 40 DFAB CC(C)CCSCC(=O)N[C@H]1CCCCC12OCCO2 89821179 GERXEJGNVQLWSG-ZDUSSCGKSA-N 301.452 2.568 0 40 DFAB COc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1Cl 89954683 GJNGHCYOCJLQLQ-AWEZNQCLSA-N 310.825 2.697 0 40 DFAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)Nc2cc(C)cc(C)n2)C1 97142945 WRZZXFSEDOMYMO-OKHZJLECSA-N 323.462 2.900 0 40 DFAB COCCn1cc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cn1 72302941 MIEUPINZYXOSOH-CZUORRHYSA-N 314.389 2.754 0 40 DFAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2o1 97372189 OGVLHIJHLOVUPX-UHFFFAOYSA-N 307.309 2.532 0 40 DFAB CO[C@H](CNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1 76067322 QSFQQTKXKJKOOI-CQSZACIVSA-N 319.792 2.669 0 40 DFAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCCCc2ccccc21 84581933 UDOBDUCNFXOMNE-LXZKKBNFSA-N 300.402 2.690 0 40 DFAB Cc1cc(CNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c(C)o1 76088409 SUERISYCDSMSKR-MQVJKMGUSA-N 305.422 2.711 0 40 DFAB COc1cccc(CNc2cccnc2-n2cccn2)c1OC 95350774 OOHUGJZNMATTRF-UHFFFAOYSA-N 310.357 2.897 0 40 DFAB CCNC(=O)c1ccc(N[C@H]2CCOC3(CCCCC3)C2)nn1 95425698 IOLQYZFYUGSFSF-ZDUSSCGKSA-N 318.421 2.520 0 40 DFAB O=C(NC[C@@H](O)c1ccsc1)c1cc(F)c(F)c(F)c1 95417442 QPFBCCXTGGQBSF-LLVKDONJSA-N 301.289 2.629 0 40 DFAB NC(=O)N1CCC(N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 95421818 GDVBYZJXZLNTSQ-MRXNPFEDSA-N 305.397 2.800 0 40 DFAB C[C@@H](CNCCS(C)(=O)=O)Cc1ccc(C(C)(C)C)cc1 95443055 QIQMPLSPCBKQSK-CQSZACIVSA-N 311.491 2.797 0 40 DFAB Cc1cccc(OC[C@@H](C)NC(=O)NCCc2cscn2)c1 95425800 FCLTYQVXCXAEGU-CYBMUJFWSA-N 319.430 2.761 0 40 DFAB O=C(N[C@H](CCO)c1cccs1)c1ccn(C2CCCC2)n1 95445750 HJARWVXELZQPQR-CYBMUJFWSA-N 319.430 2.913 0 40 DFAB CC1(C)CN(C(=O)c2cccc3ccccc23)CC[S@]1=O 88205962 ZQLCXCSTBFSFMG-NRFANRHFSA-N 301.411 2.823 0 40 DFAB COC1CCC(N(C)C(=O)CCn2ccnc2C(C)C)CC1 73729384 FSGQFQFXEYZRBT-UHFFFAOYSA-N 307.438 2.813 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccs2)cc1 78260827 YTSYXWUMHLDSOY-GFCCVEGCSA-N 316.426 2.918 0 40 DFAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](O)C1 74907189 YIKYNURNWHZTJM-HZPDHXFCSA-N 308.397 2.559 0 40 DFAB Cc1nc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)sc1C 74919340 LUZRMPNSMGNIPL-GFCCVEGCSA-N 319.434 2.572 0 40 DFAB Cc1nonc1NC(=O)c1ccc(F)c(COCC2CC2)c1 78949571 BGRUSDREYLRSMB-UHFFFAOYSA-N 305.309 2.696 0 40 DFAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1cccnc1 79485380 LBQGAAFJXGDDIA-LBPRGKRZSA-N 304.375 2.989 0 40 DFAB O=C(c1cccc(F)c1Cl)N1CCC(C2OCCO2)CC1 79899642 CMWSSENZRMVNAC-UHFFFAOYSA-N 313.756 2.704 0 40 DFAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc2nsnc2c1 36709461 CCQQVGVDUIWYML-UHFFFAOYSA-N 313.298 2.587 0 40 DFAB COCC1CCN(Cc2ccc(C(C)C)cc(=O)c2O)CC1 521396951 REFGEGLACMYPRJ-UHFFFAOYSA-N 305.418 2.734 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 72382428 NXXVRJVLCPEBGT-LBPRGKRZSA-N 317.418 2.977 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)c1ccc(C(F)(F)F)nc1O 33209006 XQSBJDDKDNPAMF-MRVPVSSYSA-N 314.263 2.760 0 40 DFAB Cc1nn(CC(=O)O)c(C)c1[C@@H]1CCCN1C(=O)OC(C)(C)C 217458656 QMEDTWHNKRIZAQ-LBPRGKRZSA-N 323.393 2.657 0 40 DFAB COCCc1noc(COc2ccc3ccc(OC)cc3c2)n1 78805672 ZNXYZUVVNWRRSG-UHFFFAOYSA-N 314.341 2.999 0 40 DFAB CCN(c1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1)C(C)C 30662782 KWSFNWCEBLYRIY-UHFFFAOYSA-N 313.401 2.872 0 40 DFAB CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2O)cc1 567270753 MANSJZFMMIXTFD-KBAYOESNSA-N 321.461 2.617 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)c(Cl)c1)C(=O)O 44295383 WDIIAFRANWBIRL-LLVKDONJSA-N 317.744 3.000 0 40 DFAB Cc1cccc(C)c1OCCCNC(=O)c1snnc1C 225557674 CTJVXLIVYDPHSS-UHFFFAOYSA-N 305.403 2.662 0 40 DFAB C[C@@H]1CCn2ncc(C(=O)Nc3nnc(C(F)F)s3)c2C1 567926013 ZQVXISXKRQCUHV-ZCFIWIBFSA-N 313.333 2.507 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)N[C@H](C)CC 225379042 KOXNSMYZKRBTDI-KGLIPLIRSA-N 320.433 2.737 0 40 DFAB S=C(Nc1ncc(Cl)cc1Br)NC1CC1 224029179 HZEBDRKGROESKA-UHFFFAOYSA-N 306.616 2.946 0 40 DFAB C[C@H]1CCCN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C1 227154507 XOKBTMNGVFVFFE-SJCJKPOMSA-N 304.365 2.967 0 40 DFAB Cc1nnc2ccc(N3CCSC4(CCCCC4)C3)nn12 80247305 SCYSZNFIGQAODB-UHFFFAOYSA-N 303.435 2.689 0 40 DFAB CSC1(CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1 195001473 NELDUIXBSXCQJC-SECBINFHSA-N 312.439 2.623 0 40 DFAB CC(C)NCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 193526847 TZYPLWQAUDXOQG-LSDHHAIUSA-N 300.805 2.897 0 40 DFAB CCOc1cc(F)ccc1N[C@H]1CCN(CC(F)(F)F)C1=O 96459069 BEOSYQCHMCGOAE-NSHDSACASA-N 320.286 2.800 0 40 DFAB COCc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 96419992 TVZKVJYZUOFFSE-MRXNPFEDSA-N 319.788 2.950 0 40 DFAB CC(C)CSCCN1CCCN(C(=O)c2ccncc2)CC1 96485396 KSBRFSGXPQAGMJ-UHFFFAOYSA-N 321.490 2.619 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)n(C)n1 96480390 SZKXJWRUEJOSME-RMKNXTFCSA-N 313.357 2.894 0 40 DFAB CO[C@H]1CCN(C(=O)Cc2ccccn2)C[C@@H]1Cc1ccccc1 96110483 PAXCJTQVWOMKCG-HKUYNNGSSA-N 324.424 2.730 0 40 DFAB CC1(C)[C@@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)[C@H]2CCO[C@@H]21 96421539 PSSLEQYURXJJIU-OJLVUWQFSA-N 318.392 2.926 0 40 DFAB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3cccs3)C2)c1 97235569 NODPMJOISGGVJG-CQSZACIVSA-N 319.430 2.958 0 40 DFAB Cc1cc(C[C@@H](C)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 90534042 QCYWKOBFIDECJS-OCCSQVGLSA-N 324.432 2.889 0 40 DFAB CC(C)C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1ccccn1 245338865 OZINEHLDGSOJPN-BHYGNILZSA-N 319.449 2.971 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@@H](C)c1ncccc1F 528571416 IAJCDDZMCAWJRB-NSHDSACASA-N 308.378 2.823 0 40 DFAB COCCC(=O)N1[C@@H](c2ccccc2)C[C@@H]2NCCCC[C@H]21 257322338 WFONJBUGZPOCCA-GVDBMIGSSA-N 302.418 2.507 0 40 DFAB O=C(CCOCC(F)F)Nc1c[nH]nc1-c1ccccc1F 252479317 BCWMYIRSKYHWJU-UHFFFAOYSA-N 313.279 2.826 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H]3c3cnccn3)c2c1 257314522 UXIYYDGQFZWEKO-KRWDZBQOSA-N 322.368 2.944 0 40 DFAB Cc1noc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1 90608552 TYSOVCCANNLAHA-OAHLLOKOSA-N 323.356 2.745 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390826195 FGDMNXPUJIYRLI-GFCCVEGCSA-N 318.327 2.521 0 40 DFAB COCCOc1ccc(NC(=O)c2[nH]cnc2C)cc1Cl 585141816 YWXBIYSXCLWPHL-UHFFFAOYSA-N 309.753 2.649 0 40 DFAB CC(C)NC(=O)c1nc2c(o1)CCN([C@H](C)c1ccccc1)C2 585111970 JNSWFTCPAFCBDI-CYBMUJFWSA-N 313.401 2.932 0 40 DFAB CC(C)OCc1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1 56171641 VZNPCAPLYHUWSW-GOSISDBHSA-N 312.413 2.928 0 40 DFAB O=C(Nc1cccc(OCc2cscn2)c1)N1CCOCC1 71886068 GFRMBXUMLAJELK-UHFFFAOYSA-N 319.386 2.586 0 40 DFAB COC(=O)c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)nn1 79941963 SKZBAIJECJOANR-AWEZNQCLSA-N 315.348 2.614 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(C(=O)O)c1 13073783 GUATXBRZOPZWTQ-UHFFFAOYSA-N 319.382 2.908 0 40 DFAB COc1cc(C(=O)O)ccc1OCC(=O)Nc1cccc(C)c1 13419496 DVUMZIURGQJWEC-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB C[C@@H]1CN([C@@H](CN)c2ccccc2Br)C[C@@H](C)O1 19422080 DGRKQZVTLWFUKF-GYSYKLTISA-N 313.239 2.558 0 40 DFAB C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2[C@H]3O)C1 31158913 UMGQYHQGKBYIAJ-YYSFKGJASA-N 308.333 2.783 0 40 DFAB biogenic,in-vitro Cc1csc(C(=O)N2CC[C@H](COc3ccccn3)C2)c1 1888847541 SYVDOFKVIZTCLJ-ZDUSSCGKSA-N 302.399 2.993 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1Cl 37415981 XLOMCGIKXLBDEW-SNVBAGLBSA-N 306.120 2.822 0 40 DFAB Cc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1F 4121193 WICRDBYYBYGBGW-UHFFFAOYSA-N 317.345 2.764 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 4851913 XYOUDGXTONIWKB-UHFFFAOYSA-N 324.292 2.513 0 40 DFAB O=C(Cn1c2c(c3ccccc31)CCC2)NCCCn1ccnc1 36708640 NDEWCVPUYDRRFD-UHFFFAOYSA-N 322.412 2.533 0 40 DFAB c1nc(NC2CCCCC2)c2ncn(C[C@@H]3CCCO3)c2n1 2298048301 PKGXRNPIRDUUAN-ZDUSSCGKSA-N 301.394 2.750 0 40 DFAB Cc1nc2ccccc2n1CC(=O)Nc1nnc(C(C)C)s1 40115014 YVFBDWFLLPYODY-UHFFFAOYSA-N 315.402 2.958 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Br)cc1 100506162 YUEDCDKDCJUXEG-TXEJJXNPSA-N 306.159 2.905 0 40 DFAB Cc1cc(-c2nnc(SCC(=O)N3CCCCCC3)o2)no1 812155 UCYNRJJIDOUKKK-UHFFFAOYSA-N 322.390 2.528 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)Cc2ccc(F)cc2)no1 40528959 TVELZCPJWDIWRA-UHFFFAOYSA-N 312.366 2.621 0 40 DFAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 212109 GMGNANMGPWIVKE-QGZVFWFLSA-N 316.445 2.920 0 40 DFAB Cc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 7902602 NQJBBFYRSOSYMX-UHFFFAOYSA-N 312.369 2.794 0 40 DFAB Cc1cc2c(c(=O)o1)C(c1ccncc1)c1c(cc(C)oc1=O)O2 6255664 CLLXFHZDPLSOHA-UHFFFAOYSA-N 323.304 2.891 0 40 DFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 7882121 IBXAYXMSDLJUEV-YJBOKZPZSA-N 322.408 2.913 0 40 DFAB CCOCCCN1C(=O)/C(=C/c2ccc(C)s2)NC1=S 105328057 BDHNVCKATDZXQP-XFXZXTDPSA-N 310.444 2.541 0 40 DFAB O=c1[nH]c(CSC(=S)N2CCCC2)nc2ccsc12 20992076 XUOWMPKYASSIEK-UHFFFAOYSA-N 311.457 2.599 0 40 DFAB COc1ccc(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)cc1 329100 PMOGDVNFBDYZBB-MRXNPFEDSA-N 309.369 2.685 0 40 DFAB biogenic O=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccs1 21178532 PASGZEIXHNJQHV-UHFFFAOYSA-N 319.354 2.828 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 102049439 HOBDTJGTMRMKJF-QSPRXWTASA-N 300.402 2.583 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c(=O)c2ccccc12 8778460 QLZKJOKUCJOSII-UHFFFAOYSA-N 323.396 2.622 0 40 DFAB CCN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 32740557 YJXLSCPWJZGPTB-UHFFFAOYSA-N 319.792 2.676 0 40 DFAB C[C@@H]1C[C@H](OC(=O)c2ccc(COc3ccccc3)o2)C(=O)O1 32736571 WEYPEJGBIHNUNX-ABAIWWIYSA-N 316.309 2.719 0 40 DFAB CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 543488 PLNXIDBQONXANV-INIZCTEOSA-N 312.369 2.524 0 40 DFAB CC1CCC(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 89798954 FAJGGXYGGWMBIT-JDGDGYACSA-N 302.462 2.790 0 40 DFAB Cc1cccc(C2(C(=O)N[C@H]3CCCc4c3cnn4C)CC2)c1 53462736 WWFJOPVJDOCQHL-INIZCTEOSA-N 309.413 2.954 0 40 DFAB COc1ccc(CNC[C@@H](c2cccs2)N(C)C)cc1O 21059927 WNTDWOVGQBFZQF-ZDUSSCGKSA-N 306.431 2.855 0 40 DFAB O=C(NC[C@@H]1OC=Cc2ccccc21)[C@H]1COc2ccccc2O1 26895376 FFHPERKUCAAJIO-ZWKOTPCHSA-N 323.348 2.685 0 40 DFAB C[C@@H](NC(=O)Nc1nncs1)c1ccc2c(c1)OCCCO2 43129207 DXKXWFOQFCZNRU-SECBINFHSA-N 320.374 2.582 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(F)c1 106661475 VBNBGAQWOCCAHC-JKSUJKDBSA-N 306.381 2.533 0 40 DFAB COc1cc(C=O)ccc1OS(=O)(=O)c1cc(C)ccc1C 3220705 UPAREUQKLUMKEL-UHFFFAOYSA-N 320.366 2.892 0 40 DFAB CCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O 1401499 DRMWURDSOHNPQG-UHFFFAOYSA-N 305.399 2.626 0 40 DFAB O=C1COc2cc(C(=O)NCc3ccc(Cl)s3)ccc2N1 25525441 DVBGWBORJRWHPA-UHFFFAOYSA-N 322.773 2.662 0 40 DFAB CCSc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccn1 56133742 TXWYYYYEXWYCRN-UHFFFAOYSA-N 318.446 2.978 0 40 DFAB CN(Cc1cnccn1)C(=O)Nc1ccc(OC(F)F)cc1 76017058 ASSSJKUKHDGUSU-UHFFFAOYSA-N 308.288 2.742 0 40 DFAB C[C@H]1Cc2ccccc2N1CCS(=O)(=O)Oc1ccccc1 57826815 VOLWQEJCHJDYCL-AWEZNQCLSA-N 317.410 2.846 0 40 DFAB O=C(Nc1ccc(-n2cncn2)nc1)N1CC[C@H]1c1ccccc1 48131623 GPDICXYHVXDXRQ-HNNXBMFYSA-N 320.356 2.641 0 40 DFAB Cc1ccc(NC(=O)CN(C)Cc2ncc(C(C)(C)C)o2)nc1 69014770 YVGFLXROLBEKJN-UHFFFAOYSA-N 316.405 2.746 0 40 DFAB COc1ccc(C)cc1C(=O)Cn1cnc2ccsc2c1=O 58208691 VGEFHDIWDDAAJU-UHFFFAOYSA-N 314.366 2.658 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 58230811 XLZJUTXRGXDFCU-IUODEOHRSA-N 304.390 2.671 0 40 DFAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CSc1ncn[nH]1 58244491 UWZLUAWKRYBJAB-NSHDSACASA-N 320.418 2.561 0 40 DFAB CC(C)(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccccc21 20737245 NWCVNHSPCPZOFZ-KRWDZBQOSA-N 310.357 2.868 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N3CCCc4ccccc43)cc12 48309889 KSHJGYDNZUBZEO-UHFFFAOYSA-N 306.369 2.870 0 40 DFAB Cn1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cn1 12852205 BEJKONYTZCKTFS-UHFFFAOYSA-N 322.748 2.592 0 40 DFAB O=C(O)/C=C/c1ccc(-n2cc(Br)cn2)c(F)c1 38054689 HONOHYRIJIJOPF-DUXPYHPUSA-N 311.110 2.872 0 40 DFAB in-vitro O=C(Nc1nccs1)c1ccc(OC[C@H]2CCCO2)cc1 3549593 OFPHPSIOQWXUEQ-CYBMUJFWSA-N 304.371 2.953 0 40 DFAB CC(C)CC(=O)NCC(=O)Nc1ccc(Br)cc1 48735315 VGDRXSYDFVQSTK-UHFFFAOYSA-N 313.195 2.550 0 40 DFAB CN(C)[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)C1CC1 48776281 BEDGYVRWSKREAL-INIZCTEOSA-N 302.397 2.646 0 40 DFAB C[C@@H](CN1CCOCC1)N1CCC(=Cc2ccccc2)CC1 91589615 QUOPZBATRFZLBK-KRWDZBQOSA-N 300.446 2.887 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2c(C)cc(C)cc2C)CC1 69509922 VLMCTXKLAJGZOI-UHFFFAOYSA-N 319.405 2.918 0 40 DFAB CN(C)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 6247487 OWUYTOIAANIEIU-UHFFFAOYSA-N 318.398 2.539 0 40 DFAB CC(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 5262132 BRWKZQSQGHLSLF-UHFFFAOYSA-N 318.398 2.710 0 40 DFAB CC[C@@](C)(CC(=O)NCCCN(C)C)c1ccccc1OC 5245746 SDTMROLJZYBXSI-SFHVURJKSA-N 306.450 2.821 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccn3)C2)n1 65477721 RZZBRZHAHYOXNH-OAHLLOKOSA-N 310.401 2.636 0 40 DFAB NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 20283419 VOPRQONKUAZUBX-UHFFFAOYSA-N 301.356 2.566 0 40 DFAB COc1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cn1 8513689 FNLGTAVDCRECEC-UHFFFAOYSA-N 315.325 2.658 0 40 DFAB COc1ccc(Cl)cc1NC(=O)[C@H](NC(C)=O)C1CCCC1 14122389 KFVVAJAMNWQDJZ-OAHLLOKOSA-N 324.808 2.982 0 40 DFAB Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 14180168 NIEYNSGJOHQPAM-UHFFFAOYSA-N 322.408 2.981 0 40 DFAB C[C@@H](C(=O)NCc1cccs1)N1CCc2ccccc2C1 14120601 QBAFPPQOHNKZAA-ZDUSSCGKSA-N 300.427 2.811 0 40 DFAB Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1CCCC1 4501089 DBESHXKRGSMXPB-CYBMUJFWSA-N 316.430 2.679 0 40 DFAB O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCC1 69663540 SXMMODGKIBANSE-CYBMUJFWSA-N 323.234 2.944 0 40 DFAB Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)[nH]1 14242162 VGDFASWODWOEDK-UHFFFAOYSA-N 302.374 2.524 0 40 DFAB O=C(NCc1nnc(-c2ccccc2)o1)NCc1cccs1 8883140 MKEARNCEXRWZAL-UHFFFAOYSA-N 314.370 2.798 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5512008 XXAXLRWIFNQUJA-ZFWWWQNUSA-N 313.401 2.864 0 40 DFAB COC[C@H](C)NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 6626629 NFQRELAVUWXFLW-MAUKXSAKSA-N 315.413 2.718 0 40 DFAB O=C1C(=O)N(Cc2cccnc2)c2ccc(Br)cc21 6671814 UZDUTWYZJUHVGT-UHFFFAOYSA-N 317.142 2.574 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)cc1C 66248490 LVIZPCJZMCHMNU-UHFFFAOYSA-N 309.391 2.582 0 40 DFAB CCCCn1nnnc1CSc1nc(-c2cccs2)n[nH]1 6843062 XIFMUQVNHQVSNJ-UHFFFAOYSA-N 321.435 2.612 0 40 DFAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cccc(F)c1F 67078627 CTMBLGKTTXXOMW-UHFFFAOYSA-N 324.356 2.526 0 40 DFAB CN(c1nc2ccccc2o1)[C@@H]1CCCN(c2cccnn2)C1 69815979 FGWSGKLLMLJFJA-CYBMUJFWSA-N 309.373 2.723 0 40 DFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 69870824 GBIXFQZNGGAWEI-OAHLLOKOSA-N 321.384 2.751 0 40 DFAB Cc1cc(C)n(C(=O)Cc2nnc(Nc3ccccc3)s2)n1 67341890 XQPRFYIWTNNVDK-UHFFFAOYSA-N 313.386 2.978 0 40 DFAB O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1csnn1 68131771 FBRMEOUXTYTHTL-UHFFFAOYSA-N 323.790 2.962 0 40 DFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccccc1 7777638 QSEVMEKWHNYFMT-UHFFFAOYSA-N 323.440 2.928 0 40 DFAB C[C@H]1SCCN(Cc2nnnn2C2CC2)[C@@H]1c1ccccc1 71911186 ROWPSYLABAHKFJ-WBMJQRKESA-N 315.446 2.687 0 40 DFAB COc1cc2c(cc1OC)CN([C@H](C)c1nc(C)no1)CC2 71797371 JEWNCQWIPYSFIW-SNVBAGLBSA-N 303.362 2.515 0 40 DFAB CCN1CCc2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc21 71795668 TZGRIYPYVANQMM-WBMJQRKESA-N 303.406 2.758 0 40 DFAB Cc1ncn(C[C@H](O)COc2ccccc2C(F)(F)F)c1C 97085555 RPBNOSQXMVGSAW-LBPRGKRZSA-N 314.307 2.959 0 40 DFAB Cc1cc(C)c(C(=O)O[C@@H](C)COc2ccccc2)c(=O)[nH]1 97112942 VMHDUVJUXULSJD-ZDUSSCGKSA-N 301.342 2.616 0 40 DFAB CC1(C(=O)NCCCNC(=O)c2ccc(O)cc2)CCCCC1 97103158 SAJBCIRCECXPMO-UHFFFAOYSA-N 318.417 2.599 0 40 DFAB COC(=O)CCN(C(=O)c1cc(C)no1)c1ccccc1C 97139706 XIYDMAKLSARYLW-UHFFFAOYSA-N 302.330 2.501 0 40 DFAB CCC(CC)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 95399310 FWIZEXHSYVSFJP-HOTGVXAUSA-N 306.450 2.672 0 40 DFAB C[S@@](=O)c1ccc(NCc2ccc3c(c2)OCCO3)cc1 95428773 QYCVGFYDYMBUBW-NRFANRHFSA-N 303.383 2.807 0 40 DFAB CC(C)Cn1ncnc1COC(=O)CCCOc1ccccc1 95467934 IPNCOAUYXUHZBY-UHFFFAOYSA-N 317.389 2.837 0 40 DFAB O=C(O)c1coc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 95939858 BZTUVDKYZUGERN-AWEZNQCLSA-N 317.316 2.964 0 40 DFAB O=C(NC[C@H]1CCN(C2CC2)C1)N1CCC2(CCCC2)CC1 95960704 SZCIUCOWXNXOOT-OAHLLOKOSA-N 305.466 2.837 0 40 DFAB CC[C@@H](c1ccncc1)N(C)Cc1nnnn1-c1ccccc1 95977318 VHQUHROCGIZYMT-INIZCTEOSA-N 308.389 2.640 0 40 DFAB Cc1cc(C)cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 95957967 AYCABOVUPFSESI-HNNXBMFYSA-N 312.417 2.763 0 40 DFAB Cc1cc(=O)c(O)c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1C 62386931 TVFLESFYAKPJHF-UGSOOPFHSA-N 304.434 2.800 0 40 DFAB Cc1ccc(-c2cnc(NC(=O)Cn3cccn3)n2C)cc1C 36752339 CFKXAGDXOMWXKE-UHFFFAOYSA-N 309.373 2.539 0 40 DFAB CCc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218520701 JFKFYIUGODNXAZ-KZNAEPCWSA-N 315.438 2.824 0 40 DFAB Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(C)c2ccccc23)c1 6996911 ROXRHEAIKICFJP-SFHVURJKSA-N 324.405 2.904 0 40 DFAB Cc1cccc(Oc2cncc([C@@H]3CCCN(CCO)C3)n2)c1 72361635 PHSZFTJAXCXPTK-OAHLLOKOSA-N 313.401 2.749 0 40 DFAB CO[C@H](C(=O)N[C@@H](C)c1c(C)nn(C)c1C)c1ccccc1 78996740 FSDHBAUWFCUQKU-ZBEGNZNMSA-N 301.390 2.602 0 40 DFAB C[C@H]1[C@@H](C)OCCN1CCOc1ccc(C(=O)O)cc1Cl 566920534 NUQNKORHIYFRAN-WDEREUQCSA-N 313.781 2.526 0 40 DFAB CC(C)CC[C@](C)(O)CNC(=O)[C@H]1CCOc2ccccc21 75124772 QLJWJKDEKRVGGV-YJBOKZPZSA-N 305.418 2.856 0 40 DFAB COCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 78610600 PWLFIXQJVIREHT-UHFFFAOYSA-N 324.852 2.705 0 40 DFAB Fc1ccc2c(c1)OCCC[C@H]2NCc1nnc2ccccn12 183810386 QNHJJWDPJXKEIM-CQSZACIVSA-N 312.348 2.872 0 40 DFAB C[C@]1(C(=O)Nc2cc(F)ccc2F)Oc2ccccc2NC1=O 41546645 QMEUCWJWSWHVPC-INIZCTEOSA-N 318.279 2.693 0 40 DFAB COc1cc(Oc2ccccc2)nc(NC(=S)NC(C)C)n1 225887657 KWDXBKPHRUSGJT-UHFFFAOYSA-N 318.402 2.972 0 40 DFAB Cc1csc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)c1 225455167 CXCRRLAUGOSUQE-LBPRGKRZSA-N 303.387 2.530 0 40 DFAB Cc1nnc(N2CCC[C@@H]2c2ccc(Br)cn2)o1 574903981 XTXNTWXIODJQBY-LLVKDONJSA-N 309.167 2.877 0 40 DFAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1 225617793 PCXOUXAFEYZAAE-MRXNPFEDSA-N 309.362 2.684 0 40 DFAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCN(C)CC1 195326511 MMPDIQNONRLAIK-CQSZACIVSA-N 312.413 2.818 0 40 DFAB Cc1csc(NC(=O)CSCC[C@H]2CCCCN2C)n1 225446193 JTWUPYFIIWSUOB-GFCCVEGCSA-N 313.492 2.998 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@H](Oc2cnccn2)C1 225476010 VEURELOVIWSWKY-NSHDSACASA-N 304.375 2.613 0 40 DFAB c1ccc2oc([C@@H]3CCCN(c4ccc5nncn5n4)C3)nc2c1 614305758 OMIUHVKIXNJJDY-GFCCVEGCSA-N 320.356 2.650 0 40 DFAB COc1ccc(-c2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1OC 95534896 XHVWIQOGJHLXIH-CQSZACIVSA-N 324.384 2.731 0 40 DFAB COc1cccc(CN2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)c1 96218193 LPKRSQJPOYLIDR-OTWHNJEPSA-N 317.429 2.854 0 40 DFAB C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1OC(F)F 95422869 WSPARZABNNNRBI-ONGXEEELSA-N 316.323 2.699 0 40 DFAB C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1COc2ccccc21 90845154 ZDPPWDPMVITCGE-SCRDCRAPSA-N 314.351 2.777 0 40 DFAB CSC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96414659 JCUKIVSRZUCMLC-VNHYZAJKSA-N 313.850 2.674 0 40 DFAB O=C(OC1(C2CC2)CC1)c1cn(Cc2cccc(F)c2)nn1 96468855 JYUZDTRXOFBFPO-UHFFFAOYSA-N 301.321 2.565 0 40 DFAB CS[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 48793929 KUAHNEVUDPKQRQ-MRVPVSSYSA-N 300.811 2.732 0 40 DFAB CC[C@H](NC(=O)CCCNC(=O)OC)c1cc(F)ccc1F 96419023 RURWENDIOUMRSE-ZDUSSCGKSA-N 314.332 2.668 0 40 DFAB CC(C)C(=O)N1CCC[C@]12CCCN(C(=O)c1ccccc1)C2 96214525 KZRXZYBGGRAGAC-IBGZPJMESA-N 314.429 2.940 0 40 DFAB Fc1ccc(N2CCC3(CC2)COCCN3CC2CC2)cc1 96074634 WQRADWWGPKKEFY-UHFFFAOYSA-N 304.409 2.907 0 40 DFAB NC(=O)c1cccc(COC(=O)c2cnc3ccsc3c2)c1 96441899 FEWJQYULUAVCDT-UHFFFAOYSA-N 312.350 2.752 0 40 DFAB CC(C)(C)OC(=O)Nc1cc(C(=O)O)cc(Br)n1 95761288 RPNYICAMDDIVAT-UHFFFAOYSA-N 317.139 2.889 0 40 DFAB O=C(NC[C@@H]1CCCS1)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 96484440 TWPLVHVMIHZSEW-CRWXNKLISA-N 310.463 2.529 0 40 DFAB c1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)cs1 97953436 WGUXGXHJWNOLPM-BBWFWOEESA-N 306.475 2.823 0 40 DFAB COc1cc([C@H](C)N[C@H](C)C2CCC2)ccc1S(C)(=O)=O 90856921 FBNXESXHARQLQD-NEPJUHHUSA-N 311.447 2.938 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2CCc2ccncc2)n1 257306107 SSYDGTBWTPMIDB-KRWDZBQOSA-N 312.417 2.519 0 40 DFAB CNc1cc(C)nc([C@H]2CN(C(=O)CC3CCCC3)CCO2)c1 257306411 SUEQAHDTIOKZQP-QGZVFWFLSA-N 317.433 2.912 0 40 DFAB Cc1noc(C)c1NC(=O)N1CCN(c2ccccc2F)CC1 264052373 MNFHSWAOAAFYNE-UHFFFAOYSA-N 318.352 2.785 0 40 DFAB Cc1cc(CS(=O)(=O)c2ccccc2Br)no1 44947494 LPBIJEBYUCTRKA-UHFFFAOYSA-N 316.176 2.719 0 40 DFAB Cc1cc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)ccc1S(C)(=O)=O 101633354 DFQUYIKWEHHACT-CWRNSKLLSA-N 305.443 2.700 0 40 DFAB Cn1cc([C@H](O)CNC(=O)NC2CCCCC2)c2ccccc21 96096556 OHKONCBQIDXBNX-QGZVFWFLSA-N 315.417 2.844 0 40 DFAB COc1ccccc1CNC(=O)C(=O)Nc1cc(C)cc(C)c1 5184027 MMJFFLZMYJBVLH-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB CCCCC(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 15734032 AVSCOOGYPZIYJF-UHFFFAOYSA-N 323.418 2.583 0 40 DFAB c1csc(CN2CCC[C@@H]2c2nnc(-c3cnccn3)o2)c1 19343476 KZPAMFKWGJCIFL-CYBMUJFWSA-N 313.386 2.925 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 19405790 NKVCIZKCMAHIHJ-LSDHHAIUSA-N 323.400 2.887 0 40 DFAB CCN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O 6325760 DOICFLXEIRLEOW-XYOKQWHBSA-N 301.323 2.849 0 40 DFAB COC(=O)[C@@H](N[C@@H]1CCSC1)c1ccc(Cl)c(F)c1 154717007 SNFHGOVLZIFZEN-SKDRFNHKSA-N 303.786 2.788 0 40 DFAB Clc1ccccc1C1(CNCc2cc[nH]n2)CCOCC1 106251448 ODBDHOKGDHXGLT-UHFFFAOYSA-N 305.809 2.901 0 40 DFAB CCOC(=O)[C@@H](Sc1nc(O)cc(C(F)(F)F)n1)C(C)C 537196581 ZCMTUSJYDYTXCG-VIFPVBQESA-N 324.324 2.881 0 40 DFAB CCOCCOc1ccc(Br)cc1/C=C/C(=O)O 35359086 SDVYWIMANYOVDJ-ZZXKWVIFSA-N 315.163 2.962 0 40 DFAB in-vitro CN(c1ccccn1)C1CCN(C(=O)CCC(F)(F)F)CC1 1889104390 KYYTXLYLXKEYCV-UHFFFAOYSA-N 315.339 2.851 0 40 DFAB COc1ccc(NC(=O)c2ccc3nnc(C4CC4)n3n2)c(C)c1 1889186295 JKHUDVPRWLFBOJ-UHFFFAOYSA-N 323.356 2.571 0 40 DFAB CCOc1ncccc1C(=O)N[C@H](CN(C)C)c1ccccc1 32902689 LGMNNDVQQWMBRX-MRXNPFEDSA-N 313.401 2.513 0 40 DFAB CC(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)s1 40466615 DGXGOHAPOMEALC-UHFFFAOYSA-N 317.366 2.652 0 40 DFAB COc1ccc(N[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 2037963966 GDKZVTVFWRNCOL-LZLYRXPVSA-N 314.385 2.863 0 40 DFAB CC(C)(C)c1nccc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)n1 2298176276 TVPYCDSPCDAOCP-OKILXGFUSA-N 300.450 2.695 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)NC(=S)N1 4318524 OFGDZPFQCDUMFQ-AWEZNQCLSA-N 322.405 2.818 0 40 DFAB O=C(CSc1nnnn1-c1ccccc1)c1cccs1 3066114 QJJKKOKZILOCET-UHFFFAOYSA-N 302.384 2.699 0 40 DFAB S=C(NC[C@@H]1CCCO1)SCc1cn2ccccc2n1 76478 ZSSFHDGBVMXTJW-LBPRGKRZSA-N 307.444 2.621 0 40 DFAB COc1ccc(/C(C)=C/C(=O)Nc2ccc(CC(N)=O)cc2)cc1 75103774 HXGSEPUDBLUADX-ACCUITESSA-N 324.380 2.765 0 40 DFAB O=S(=O)(NCCc1cccs1)c1ccc(F)cc1F 68740938 SKMOFFWRTMCCOM-UHFFFAOYSA-N 303.355 2.547 0 40 DFAB C[C@H](COC(=O)NCc1ccc(Cl)cc1Cl)OC(N)=O 1651990 AUZJOPIHLPYLGT-SSDOTTSWSA-N 321.160 2.703 0 40 DFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1 3567996 NPTBMZCJVYSFNX-UHFFFAOYSA-N 314.316 2.716 0 40 DFAB Cc1cc2oc(=O)cc(CSc3nncn3C)c2cc1C 6063409 IFDQPWWIYCGGKY-UHFFFAOYSA-N 301.371 2.831 0 40 DFAB CCCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 8109830 QOOXGGIMXAKNMV-UHFFFAOYSA-N 312.435 2.892 0 40 DFAB CN(C(=O)c1ccccc1SCC(N)=O)c1ccccc1 29484744 LTUORTXSOIZLOF-UHFFFAOYSA-N 300.383 2.541 0 40 DFAB CCn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 416303 BQQPPGBYDYHIDU-UHFFFAOYSA-N 318.446 2.840 0 40 DFAB COc1c2c(cc3c1[C@H](CC(=O)C(C)(C)C)N(C)CC3)OCO2 486267 GRGISZXMSGXHOR-LBPRGKRZSA-N 319.401 2.958 0 40 DFAB biogenic Cc1cc(C)n(C(=O)c2nn(C)c(C(F)(F)F)c2Cl)n1 2778952 HMCOXUAFYYRZEM-UHFFFAOYSA-N 306.675 2.594 0 40 DFAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)cc1 100572091 BHJGWIZERJEICD-INIZCTEOSA-N 310.353 2.829 0 40 DFAB COc1ccc(C(=O)Nc2cccnc2-n2cccn2)cc1OC 23170618 DXMPETXOUHOGSD-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB COCCc1ccc(OCC(=O)N(C)Cc2ccsc2)cc1 61337520 FHAXJJJXLDGABG-UHFFFAOYSA-N 319.426 2.974 0 40 DFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2[nH]1 8131851 QRYSXATZDYUDLC-UHFFFAOYSA-N 320.304 2.578 0 40 DFAB NC(=O)Cc1ccc(NC(=O)CCn2ccc3ccccc32)cc1 24487992 QFKAPTOHLOKHBG-UHFFFAOYSA-N 321.380 2.698 0 40 DFAB Fc1cccc(Cl)c1CN1CCC[C@H](Cn2cncn2)C1 105883027 MYIMBKZSZASQQF-LBPRGKRZSA-N 308.788 2.983 0 40 DFAB O=C(Nc1nncs1)N1CCC(c2ccc(O)cc2)CC1 43128030 OWDHLPKBMSABJK-UHFFFAOYSA-N 304.375 2.655 0 40 DFAB O=C(NCCCCN1CCCC1)N[C@@H]1CCOc2ccccc21 43165581 UOMAMZFVXZCZDC-MRXNPFEDSA-N 317.433 2.685 0 40 DFAB O=c1ccc(-c2nnco2)cn1Cc1ncc(-c2ccccc2)o1 43240799 BNZCNVQWMRFGII-UHFFFAOYSA-N 320.308 2.602 0 40 DFAB CO[C@H](C(=O)NC[C@@H]1CCCN(C(C)C)C1)c1ccccc1 106576812 SXURFYADUFNWTL-RDJZCZTQSA-N 304.434 2.611 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1ccccc1F)c1ccsc1 25330106 PKYMWJBZRUVKLW-OAHLLOKOSA-N 306.406 2.849 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1(C)C 25517276 FUAFZFMOZYNAOY-HOTGVXAUSA-N 314.429 2.771 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)no2)cc1OC 25878713 DUWNPNHNQPFZHK-ZDUSSCGKSA-N 316.357 2.978 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NC2CCC(C)CC2)cc1O 26023606 BSNDICJSKDJAGT-UHFFFAOYSA-N 305.374 2.552 0 40 DFAB Cc1cccc2c1N(C(=O)c1cccc(-n3cnnn3)c1)CCC2 58003946 LGYUQAHTOOJETI-UHFFFAOYSA-N 319.368 2.564 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)Nc3ccccn3)c(C)n2n1 27654046 KZQMXOINRINMGX-UHFFFAOYSA-N 309.373 2.621 0 40 DFAB CCn1cc(C(=O)Nc2ccn(Cc3ccccc3C)n2)cn1 28237360 XDYLIQUEBNKPAQ-UHFFFAOYSA-N 309.373 2.709 0 40 DFAB Cc1csc(CCNC(=O)Cc2cn(C)c3ccccc23)n1 58290873 YZXWJYYUDCROSZ-UHFFFAOYSA-N 313.426 2.845 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCOC[C@@H]3C)cc12 44912670 HTQFLQBCGJWIRX-NSHDSACASA-N 321.446 2.923 0 40 DFAB CC(=O)c1c(C)cc(C)c(Cn2nc3ccccn3c2=O)c1C 58342518 BVCMZQIIWICPML-UHFFFAOYSA-N 309.369 2.672 0 40 DFAB O=C(Cc1ccsc1)O[C@H](C(=O)NC1CC1)c1ccccc1 8292998 MOEVNDYDQWTJTI-INIZCTEOSA-N 315.394 2.854 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc(C=O)cc2)c1C 3386258 ATVUHEBMAFCQEC-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB C[C@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 3344462 LEWRGSALXNDXNL-JTQLQIEISA-N 303.431 2.848 0 40 DFAB COc1cc(-c2noc(-c3ccncc3)n2)cc(OC)c1OC 2360290 NUEXXPATOFKHFU-UHFFFAOYSA-N 313.313 2.824 0 40 DFAB COc1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)O)cc1 3399036 ARJRHIWYBOMAME-LFIBNONCSA-N 311.337 2.859 0 40 DFAB COc1cc(OC)c(C(=O)OCc2c(C)noc2C)cc1OC 3317769 KTQWGBMSBYVALG-UHFFFAOYSA-N 321.329 2.674 0 40 DFAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc(C)[nH]c1=O 12974619 ULLPCAOOYDZUDK-UHFFFAOYSA-N 313.401 2.829 0 40 DFAB COc1cccc(CC(=O)Nc2ccc(OC)c(OC)c2)c1 3565575 NZZKLXOPVQWPFA-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 3506964 DPVSMAGDGFIZQN-UHFFFAOYSA-N 322.821 2.506 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1coc(-c2cccs2)n1 8328021 XNNKYZYPVZGHAT-UHFFFAOYSA-N 317.370 2.768 0 40 DFAB O=C(Cn1c(CO)nc2ccccc21)Nc1cccc(Cl)c1 13062742 KLCNSALJYZOFHO-UHFFFAOYSA-N 315.760 2.821 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2c[nH]c3ccccc23)C1 6114924 MOPTYQNBLJNAAS-CHWSQXEVSA-N 314.385 2.829 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 24256294 IGIPDPMDJBJKGU-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)Cc1cccc2ccccc12 69583415 WWFPAAIPFVBOMC-INIZCTEOSA-N 310.397 2.639 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 6651760 KAVQGCLNXJIGAY-JTQLQIEISA-N 311.407 2.790 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cncn2)cc1 14704285 DVRZORLNWKDZRE-INIZCTEOSA-N 320.352 2.521 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976126 FNYNSRFYRDIIJV-UKRRQHHQSA-N 320.408 2.522 0 40 DFAB Cc1ccc(C)c(NC(=O)CSc2ncnc3nc[nH]c23)c1 18094231 PEHQMBOYUOPPFC-UHFFFAOYSA-N 313.386 2.701 0 40 DFAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cccnc1 7059647 CDWKUDKQKXOUHJ-VQHVLOKHSA-N 308.790 2.825 0 40 DFAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Cl)cc1 7250465 TUKIRGPVJZYCOZ-UHFFFAOYSA-N 313.744 2.689 0 40 DFAB O=C(CN1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 7785967 JFKLCJPSZAYJPB-UHFFFAOYSA-N 323.396 2.973 0 40 DFAB Cc1cccc(C(=O)NCCNc2noc(-c3ccccc3)n2)c1 96011538 FFANKGRCDSHJTC-UHFFFAOYSA-N 322.368 2.887 0 40 DFAB O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cnccn1 96003011 OPXONPKSTLULPO-AWEZNQCLSA-N 311.389 2.596 0 40 DFAB Cc1cscc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 94246350 CCPOMQWGEPJQKT-CQSZACIVSA-N 301.367 2.708 0 40 DFAB CCC1(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CCC1 84158259 HBDBOQGVUZBPGU-CQSZACIVSA-N 319.453 2.801 0 40 DFAB CCO[C@H](C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 72288738 ZJQYZOVVWVQTLT-KCXAZCMYSA-N 307.390 2.732 0 40 DFAB COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@H](C)CO)c1 89901545 XUMZALGKQMNGRH-CYBMUJFWSA-N 317.433 2.784 0 40 DFAB COc1cccc2cc(CN[C@@H]3CCN(C(C)=O)C[C@H]3C)oc12 89937446 VGNUMPKWBCDZIF-MLGOLLRUSA-N 316.401 2.788 0 40 DFAB O=C(NC[C@H]1CCOCO1)c1ccc(CCC(F)(F)F)cc1 97022226 PBJVRWAWXBAHPK-CYBMUJFWSA-N 317.307 2.674 0 40 DFAB CC(C)n1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 97113337 DKQCEMNEPJCMLT-CQSZACIVSA-N 302.382 2.946 0 40 DFAB Cc1ccc(CC(=O)N2CCCc3cc(C(N)=O)ccc32)s1 97164812 KIERBPVBUMACPE-UHFFFAOYSA-N 314.410 2.677 0 40 DFAB CCOc1ccc(CNC(=O)N2CCC(C)(CO)CC2)cc1C 97377488 RQKIAWBIHIQJOL-UHFFFAOYSA-N 320.433 2.698 0 40 DFAB COc1ccc(OC)c(CNc2cnc3c(c2)c(C)nn3C)c1 95350768 BJDAKCZMILSXDL-UHFFFAOYSA-N 312.373 2.906 0 40 DFAB COc1csc(C(=O)O[C@H](c2cnn(C)c2)C(F)(F)F)c1 76094477 BTRRLGUIGKDIPN-SNVBAGLBSA-N 320.292 2.951 0 40 DFAB CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@H]2CCCO2)cc1 76016773 WSRXCNBYVDAGIE-HZPDHXFCSA-N 305.418 2.703 0 40 DFAB O=C(CC1(O)CCCCC1)NCC1([C@@H](O)c2ccccc2)CC1 95434571 XRTPWZOUFLNBPY-KRWDZBQOSA-N 317.429 2.702 0 40 DFAB C[C@@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1 95442670 MRAXMHMTVDXJHS-BZNIZROVSA-N 306.337 2.687 0 40 DFAB C[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc(SC(F)F)cc1 95419512 SHIUWWVZGWQYFZ-MWLCHTKSSA-N 321.414 2.839 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2cccc3c2ccn3C)cc1 95472947 OUICVSCFJHVHGB-UHFFFAOYSA-N 322.364 2.800 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccc(F)cc1Cl 95411332 YWWTYLSHHWDXLM-OTYXRUKQSA-N 314.788 2.952 0 40 DFAB O=C(c1ccc(N2CCCC2)nn1)N(C1CCCC1)C1CC1 77032096 YOMTYMVXSUKDGV-UHFFFAOYSA-N 300.406 2.624 0 40 DFAB O=C(CCc1cccs1)NCCc1cccc(C(=O)O)c1 95953333 BAKBGMAOBZVHNP-UHFFFAOYSA-N 303.383 2.738 0 40 DFAB CN1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1=O 95954761 HJGUTWKVACVMSJ-BBWFWOEESA-N 314.429 2.697 0 40 DFAB Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1=O 95954766 CLSSTLKEEOOKSX-IRXDYDNUSA-N 310.397 2.842 0 40 DFAB Cc1nc2cc(NC(=O)c3cccc(C(=O)O)c3)ccc2n1C 95976735 INTWKISQLQLIHM-UHFFFAOYSA-N 309.325 2.832 0 40 DFAB CC(=O)Nc1nc(COC(=O)c2c(F)cccc2F)cs1 9951779 AWGWBJVSJMTEAI-UHFFFAOYSA-N 312.297 2.737 0 40 DFAB C[C@@H](CN(C)Cc1c(F)cccc1Cl)CS(C)(=O)=O 79098023 ASOHUBACFZWAQU-JTQLQIEISA-N 307.818 2.592 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1cccc(OC)c1 78556279 PYIHDAOWGPHFNW-QKVFXAPYSA-N 311.447 2.637 0 40 DFAB O=C(Nc1ccc2c(c1)CCO2)N[C@@H]1CCO[C@H](C2CC2)C1 183684933 MSAWRWCJCXARNH-ZBFHGGJFSA-N 302.374 2.701 0 40 DFAB COc1cccc2c(=O)c(C(=O)Nc3nc(C)cs3)c[nH]c12 39962889 AJFRXKCPPKLAOD-UHFFFAOYSA-N 315.354 2.554 0 40 DFAB COCc1cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)no1 79619380 LANQZGHJSPGKOB-CQSZACIVSA-N 318.348 2.807 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2Br)C[C@H](C)O1 36998901 DGRKQZVTLWFUKF-MJVIPROJSA-N 313.239 2.558 0 40 DFAB CSCc1cccc(S(=O)(=O)Nc2nccs2)c1 71195378 ABNQYTAMPDRKLC-UHFFFAOYSA-N 300.430 2.807 0 40 DFAB CC[C@@H](CO)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 77287120 JZUOOKOWCATTNI-ZETCQYMHSA-N 321.156 2.658 0 40 DFAB in-vitro COc1cc(C)ccc1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 563847155 OBHAEYWLVONESM-ZDUSSCGKSA-N 319.792 2.941 0 40 DFAB COCCCNS(=O)(=O)c1ccc(Cl)c2ccccc12 41095537 VHVKHNXOUUZJIX-UHFFFAOYSA-N 313.806 2.808 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc2C1)Nc1cccs1 85560512 ZOMGLJBLKOIMPM-MRXNPFEDSA-N 302.399 2.790 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NCCCCCC(=O)O 40268377 ONPMECWIKGWTDK-UHFFFAOYSA-N 302.374 2.711 0 40 DFAB Clc1cc(NCc2cc[nH]n2)ccc1CN1CCOCC1 195559921 YSDQBSRTMOHXSS-UHFFFAOYSA-N 306.797 2.507 0 40 DFAB C1CC(N2CCc3c(nnn3CC3CC3)[C@@H]2COCC2CC2)C1 96045414 FYHCPYXYYVHRRO-KRWDZBQOSA-N 316.449 2.566 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)c1sccc1C)CC2 96106285 FBSHODOJDGLOEE-CQSZACIVSA-N 323.458 2.962 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCOc2ccccc21 96469171 WVNDZHLONALYPW-TZMCWYRMSA-N 313.353 2.923 0 40 DFAB COc1ccc(CCN2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1OC 96043582 OJKCTNGFBXGPQL-CWRNSKLLSA-N 305.418 2.746 0 40 DFAB CC(C)(C)S(=O)(=O)c1ccc(NCc2cccnc2)cn1 96459041 YLEBCWOECBWVDG-UHFFFAOYSA-N 305.403 2.661 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@]1(O)CCSC1 96447301 GUHDIODVMBKKOQ-OAHLLOKOSA-N 322.455 2.569 0 40 DFAB CCN(C)[C@@H]1C=CC2(CC1)CCN(C(=O)c1ccccn1)CC2 96240284 CMOHEPPNZWWUAL-MRXNPFEDSA-N 313.445 2.974 0 40 DFAB Cc1cccc(N2CCC(N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)n1 230163530 IIWXNRHDSOHGAU-CRAIPNDOSA-N 316.493 2.677 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1cnn(C)c1 96433747 NCUSANMOBVYOLF-SECBINFHSA-N 310.304 2.904 0 40 DFAB Cc1noc(-c2ccccc2C(=O)O[C@@H](C)[C@H]2CCOC2)n1 97235859 AYRYWXAUFBFOQI-JQWIXIFHSA-N 302.330 2.627 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H]1CCOc2ccccc21 97372425 LXGBGNBQANCOQE-RISCZKNCSA-N 313.401 2.813 0 40 DFAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1ccoc1)C2 96044892 WQFDYEZVEUEUJK-HNNXBMFYSA-N 301.390 2.539 0 40 DFAB O=C(C1CCOCC1)N1CCC[C@@H]1COc1ccc(F)cc1 242263453 XZHDNKDWVPSVRM-OAHLLOKOSA-N 307.365 2.622 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCCC[C@H]1S(C)(=O)=O 245339432 SSPMQJCHIZMNKP-FXUDXRNXSA-N 317.495 2.527 0 40 DFAB C[C@@]1(c2ccn[nH]2)CCCN(Cc2cnc3ccccc3n2)C1 257250244 JLSITFHQCCWYGF-GOSISDBHSA-N 307.401 2.907 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H]3CCC[C@H]31)C2 252581636 GSDLRJJZGHDGLC-BSWAZPDLSA-N 305.466 2.976 0 40 DFAB CSc1ncccc1C(=O)NC[C@](C)(O)Cc1ccsc1 618257330 VVGPOXXOYYYVTH-OAHLLOKOSA-N 322.455 2.589 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc3ncccc3c2)[C@@H](C)C1 84718257 IKQSTBDIYYPOTJ-WMLDXEAASA-N 311.429 2.971 0 40 DFAB COCCn1ccc(NC(=O)Nc2cc(F)ccc2Cl)n1 97103625 SUUKPRRIKRYBEZ-UHFFFAOYSA-N 312.732 2.966 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1ccccc1 12615544 HYMWHHJYFMQLHT-AWEZNQCLSA-N 302.399 2.527 0 40 DFAB COc1cccc(C(=O)NCCOc2ccccc2)c1OC 15555007 QGPYNMYIMYHPMU-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB COc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1 16453192 DOUISERLTHSIQM-SNVBAGLBSA-N 306.391 2.626 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 205703777 KHYJPLHDQHXOFU-KPKJPENVSA-N 323.345 2.814 0 40 DFAB Cc1nnc(SCc2cc(=O)n3c(C)csc3n2)s1 5054337 BVTHDSTYCXHVCP-UHFFFAOYSA-N 310.429 2.517 0 40 DFAB Cn1cccc(C(=O)NCc2cc(-c3ccoc3)cs2)c1=O 1888929663 MJIQBBUBPVDTKF-UHFFFAOYSA-N 314.366 2.637 0 40 DFAB COc1ccc2nc(N3CC(Cn4cc(C)cn4)C3)sc2c1 1889180493 ORQIDMSXQBZCPK-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB CCS(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 4249134 VTJHPUWDJYZPBC-UHFFFAOYSA-N 307.400 2.824 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)Nc3cccc(C)n3)CC2=O)cc1 4272590 ZHWMZLPIHAJDPC-CQSZACIVSA-N 324.384 2.625 0 40 DFAB O=C(COc1ccccc1F)NC1CCC(n2cccn2)CC1 618255931 AQXVAPBKPHVBQV-UHFFFAOYSA-N 317.364 2.701 0 40 DFAB Clc1cccnc1OC[C@@H]1CCCN(c2ccncn2)C1 2298182823 UOAORYNJDZGUEP-GFCCVEGCSA-N 304.781 2.820 0 40 DFAB Fc1ccc(-c2cc(CNC3CCCC3)c3nnnn3c2)cc1 72392341 ZTLZTFWZTSZUHG-UHFFFAOYSA-N 311.364 2.963 0 40 DFAB CCc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1 24833807 FHLPDXWQAIDZKO-QGZVFWFLSA-N 322.408 2.918 0 40 DFAB O=C(O)C12C[C@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 100383674 INJXUUWVZPYPQM-LGBHXNNWSA-N 324.384 2.720 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2C)cc1 111406 BMVONXNWKWLFDZ-SNVBAGLBSA-N 320.418 2.642 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccc(Cl)s1 40479561 MJGRAORSWLTQQP-UHFFFAOYSA-N 311.838 2.953 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 83843734 YPRXFFKUTZWTDP-DOTOQJQBSA-N 315.417 2.837 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 29077258 NJLZDARURSOFGH-LLVKDONJSA-N 319.405 2.524 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)Nc1cccc(Br)c1 40525302 MUWDRIYQOFGYNK-UHFFFAOYSA-N 323.194 2.847 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c(=O)[nH]1 75118986 YEIDZAJDCVFCGI-CYBMUJFWSA-N 318.373 2.789 0 40 DFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O 2655907 FVBJVBRNSVDCBM-CQSZACIVSA-N 324.380 2.995 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)Cn1cnc2ccccc21 3280010 VRADJYBPJRNGTI-UHFFFAOYSA-N 323.352 2.527 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101110520 BUWAXWHRGPFRET-FPCVCCKLSA-N 309.365 2.787 0 40 DFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 7735387 MQWPWQRRIIVCRM-UHFFFAOYSA-N 323.801 2.925 0 40 DFAB CCCc1nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)no1 6636495 KSLXDLOTOPYVFI-UHFFFAOYSA-N 303.406 2.855 0 40 DFAB O=C(NC1=NCCS1)c1cc(C2CC2)nn1-c1ccccc1 6646937 SWKOHDGUXXVQFT-UHFFFAOYSA-N 312.398 2.582 0 40 DFAB S=C(NCc1ccccc1)Nc1ccc2c(c1)OCCO2 7094676 NILPSABXLUXHCD-UHFFFAOYSA-N 300.383 2.944 0 40 DFAB Cn1cc(CCCN(CCCO)[C@H]2CCc3ccccc32)cn1 75138784 AWVDSKJPKUJFFK-IBGZPJMESA-N 313.445 2.725 0 40 DFAB c1ccc2c(c1)[nH]c1cc(Oc3ccc4nnnn4n3)ccc12 32871817 FYIRHADKXMQBDD-UHFFFAOYSA-N 302.297 2.946 0 40 DFAB CCOC(=O)c1cnc(SCc2ccccc2C)nc1N 10378059 UYEJQQWFGAUJOX-UHFFFAOYSA-N 303.387 2.836 0 40 DFAB CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)C[C@@H]1CCOC1 71910744 RFWDKVKXWZWBBU-CYBMUJFWSA-N 311.447 2.787 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)o1 53176245 SMPZCAIPRILZHO-GXTWGEPZSA-N 324.384 2.695 0 40 DFAB CN[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 53201928 SLBIQRNAJXZUDC-LBPRGKRZSA-N 311.223 2.582 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1ccco1 100141234 GOVCEZVNMMGCAT-AAEUAGOBSA-N 308.341 2.533 0 40 DFAB c1csc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 107711947 GSJKVUIANGPVCJ-WBVHZDCISA-N 322.474 2.941 0 40 DFAB Cn1cc(CC(=O)Nc2cc(C3CCCCCC3)[nH]n2)cn1 71914431 KWBDFLXVMAEIEQ-UHFFFAOYSA-N 301.394 2.762 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C[C@H](O)c2ccccc2F)c1 75131892 CTVYGCVQOSXKAO-YJBOKZPZSA-N 317.408 2.919 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2ccco2)cc1 23270378 GNIQGEDCQOBANL-UHFFFAOYSA-N 323.352 2.815 0 40 DFAB Cc1nc2ccc(NC(=O)NCc3cnn(C)c3)cc2s1 54356423 UOERREIMPDRLEL-UHFFFAOYSA-N 301.375 2.660 0 40 DFAB O=C(NCc1cccnc1OC1CCCC1)Nc1nncs1 43128960 LKFNVVNICOMVRN-UHFFFAOYSA-N 319.390 2.576 0 40 DFAB CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 106008296 MOQAVUSTKTUIGM-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB Cc1nc(COc2ccc(C(=O)NCCC(C)C)cc2)no1 25431863 HTEWQDLLKFHHQD-UHFFFAOYSA-N 303.362 2.733 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1 119953585 KMKJFKNAUGDDHH-UHFFFAOYSA-N 322.361 2.609 0 40 DFAB C[C@@H]1CCCN(Cc2nccn2C)[C@H]1CNC(=O)OC(C)(C)C 110659039 DAVYTKKMYOFHQI-KGLIPLIRSA-N 322.453 2.545 0 40 DFAB CC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20151236 YBLOASPAGMDTGN-UHFFFAOYSA-N 304.371 2.580 0 40 DFAB CC(=O)Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 1621157 CKVAALAFCQXIGK-RVDMUPIBSA-N 307.305 2.956 0 40 DFAB CCOc1ccc(-n2c(N)c(C(=O)NC)sc2=S)cc1 27021163 QCJGWYKJAIBJHS-UHFFFAOYSA-N 309.416 2.609 0 40 DFAB CN(C[C@H](O)COCc1ccccc1)C(=O)NC1CCCCC1 58160944 CDGZYRTZGFEHMW-KRWDZBQOSA-N 320.433 2.538 0 40 DFAB CCOC(=O)c1c(CN2CCC(O)CC2)oc2ccccc12 58191803 SLNREMFMYCVWJR-UHFFFAOYSA-N 303.358 2.566 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 3280627 LPOWNVLPERJOSQ-RUDMXATFSA-N 309.325 2.517 0 40 DFAB Cc1nc(/C=C/C(=O)NCc2cccc(N(C)C)c2)cs1 58201940 XADALCYIGHTVTF-BQYQJAHWSA-N 301.415 2.847 0 40 DFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc3[nH]ccc13)CS2 58283306 KNEJEXMJSAAPKE-BBRMVZONSA-N 315.398 2.560 0 40 DFAB Cc1cc(NC(=O)NCCNc2ccc3ccccc3n2)n(C)n1 58331454 RRFWORBBNXWNST-UHFFFAOYSA-N 324.388 2.510 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1 3326445 KCGKQRZLKBSOII-UHFFFAOYSA-N 321.373 2.849 0 40 DFAB CCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OC 12784519 OBTNHQHFTUNLIV-UHFFFAOYSA-N 311.341 2.828 0 40 DFAB CCNC(=O)c1cc(Br)c(OCC)c(OC)c1 8188588 SDKAAXPOODPMQW-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 13015117 NZWNFTCROLKCAP-GFCCVEGCSA-N 306.431 2.678 0 40 DFAB CCOC(C)(C)[C@H](O)Cc1c(OC)ccc2ccc(=O)oc12 13334707 ZEJUDJOXRYEYKX-CQSZACIVSA-N 306.358 2.520 0 40 DFAB biogenic,in-vitro Cc1cnn(C[C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)c1 70036477 QJBAJEBEVSQAKL-KRWDZBQOSA-N 323.396 2.659 0 40 DFAB O=C(NCc1ccc(-n2cccn2)nc1)c1ccc2c(c1)CCC2 39548709 OGVJOSRVOVXEOZ-UHFFFAOYSA-N 318.380 2.686 0 40 DFAB O[C@@H]1CN(Cc2ncc[nH]2)CC[C@H]1c1ccc2ccccc2c1 65406665 XAGSWOFQVHYLON-ZWKOTPCHSA-N 307.397 2.913 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 65586937 ZAQLEMYYPXLUOQ-WWGRRREGSA-N 309.381 2.977 0 40 DFAB COC(=O)[C@H](C)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 65586948 KVCLLCPOQRECQP-VIFPVBQESA-N 317.307 2.661 0 40 DFAB Cc1noc(C)c1CN[C@H](C(=O)N1CCCC1)c1ccccc1 65539964 GNDREXGJFMJNLX-KRWDZBQOSA-N 313.401 2.745 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 6640095 QEWMHKYHEPSISS-HTRCEHHLSA-N 303.145 2.526 0 40 DFAB O=C(CCc1nc2ccccc2o1)N1CCC[C@@H](n2ccnc2)C1 69777210 KXIJEGQLLLFYLR-CQSZACIVSA-N 324.384 2.821 0 40 DFAB COc1ccc(C)cc1NCC(=O)Nc1ccc2c(c1)OCO2 5656054 DDOVAWKULFDDEV-UHFFFAOYSA-N 314.341 2.783 0 40 DFAB CN1CCN(CC(=O)Nc2cccnc2Cl)c2ccccc21 69812684 QJEHHMHDZQSNFD-UHFFFAOYSA-N 316.792 2.630 0 40 DFAB CCN(CC(=O)Nc1ccccc1OC)CC(F)(F)C(F)F 69879722 QSDHYCBOKYPAGM-UHFFFAOYSA-N 322.302 2.856 0 40 DFAB CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(C)no2)CC1 69840704 DDHOZHNINKWXNH-SFHVURJKSA-N 319.449 2.986 0 40 DFAB Cc1nnc(SCc2ccc(C(N)=O)cc2)n1-c1ccccc1 9157895 MKALBEIUBSGWLF-UHFFFAOYSA-N 324.409 2.967 0 40 DFAB CCC1CCC(N(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)CC1 89948239 DLSACJVVDOXGPK-NPCAHTBFSA-N 318.461 2.957 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72298818 ZJAMLJVHROLHPO-STQMWFEESA-N 304.419 2.615 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)on1 72296868 XVKDYLNNCGMUFG-UHFFFAOYSA-N 322.324 2.883 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cccc(Cl)c1C 72294150 AIELBMFLJHMOEG-SNVBAGLBSA-N 302.827 2.884 0 40 DFAB CN(CCn1cccn1)C(=O)c1cnc(-c2ccsc2)s1 71899984 CRCYYWNUBOENBR-UHFFFAOYSA-N 318.427 2.840 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)c1cccc(F)c1F 71896472 KNDSCWPFRLMLIJ-NRFANRHFSA-N 309.337 2.502 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCc3ccccc31)C2 97198285 UHKFOEVQELWHOS-RDJZCZTQSA-N 309.413 2.743 0 40 DFAB Cn1nccc1CCNC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 97140461 HTTFQRCYVPJYKC-YOEHRIQHSA-N 324.428 2.827 0 40 DFAB Cc1ncsc1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 97232627 PFOBYPAGMBHWFS-OAHLLOKOSA-N 316.426 2.865 0 40 DFAB CN1CCN(C2CCN([C@H]3CCCc4ccccc43)CC2)C1=O 75604152 NFQPEKWKHDUSIP-SFHVURJKSA-N 313.445 2.896 0 40 DFAB O=C(Cc1noc2ccccc12)NCc1nc2ccc(F)cc2[nH]1 76092423 KMBRMXWDKZUDCO-UHFFFAOYSA-N 324.315 2.702 0 40 DFAB CCC1=C(C(=O)NC2CCC(O)CC2)Cc2ccccc2O1 72794232 IXDAMNPANGJLRG-UHFFFAOYSA-N 301.386 2.705 0 40 DFAB CCn1nc(C)c(CCC(=O)NCCc2ccc(O)cc2)c1C 95476520 HDOFNWGFBJOWEU-UHFFFAOYSA-N 315.417 2.517 0 40 DFAB C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1 78951211 NUBIARSRPRZOGT-NXEZZACHSA-N 308.332 2.820 0 40 DFAB COCCn1ccc2ccc(C(=O)NCCc3ccncc3)cc21 79482662 FHVPBFPAMMFXNF-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB COC(=O)[C@@H](Nc1cnn(-c2ccccc2)c1C)c1cccnc1 126409057 OYWYOBILUPDJQT-KRWDZBQOSA-N 322.368 2.902 0 40 DFAB C[C@@H]1OCC[C@H]1c1nc(Cc2ccc(C(F)(F)F)nc2)no1 528249512 CZRJACPWEMAFEU-WCBMZHEXSA-N 313.279 2.967 0 40 DFAB Cc1cc(NC(=O)CNC(C)(C)c2nc(C)c(C)s2)no1 72865477 GPXVGADHVFMVOU-UHFFFAOYSA-N 308.407 2.520 0 40 DFAB CN1CCC[C@H](c2cccc(NCCC3(O)CCCC3)n2)C1 72365542 MBDSYTNGENJRGA-HNNXBMFYSA-N 303.450 2.998 0 40 DFAB C[C@@H](OC(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2n1C 79211831 XHAHDAHBFRPJDM-SECBINFHSA-N 318.764 2.878 0 40 DFAB Cc1csc(NC(=O)c2ccnc(C3CCNCC3)c2)n1 72365607 NPQGMFIKQKYQNI-UHFFFAOYSA-N 302.403 2.566 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[nH]1 76392081 JURNWMPKUMKJHO-ZIAGYGMSSA-N 302.761 2.623 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1 78985478 QUXWGBOFXLZBBY-LSDHHAIUSA-N 303.358 2.759 0 40 DFAB CCc1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)c(O)c1 188274518 IIQHBLLTWBDVSI-QFIPXVFZSA-N 317.410 2.622 0 40 DFAB CC(C)(C)c1nc(N2CC[C@H](OCc3ccncc3)C2)no1 192905416 RLPDNQRNFDINMN-ZDUSSCGKSA-N 302.378 2.558 0 40 DFAB COc1ccc(CN(C)C(=O)COc2ccc(F)cc2)cc1 49535410 YCWJESLLSFRDEM-UHFFFAOYSA-N 303.333 2.872 0 40 DFAB COc1ccccc1-c1cc2nc(C(=O)O)cc(C3CC3)n2n1 41543178 VAWLYLLJUUTUPU-UHFFFAOYSA-N 309.325 2.981 0 40 DFAB COc1cccc(Nc2ncnc3c2cnn3-c2ccccn2)c1 41529063 LOBRDLVVPMJNIC-UHFFFAOYSA-N 318.340 2.963 0 40 DFAB CCOc1ccc(Cn2cnc3ccc(Cl)cc3c2=O)nc1 83595484 HHKSWTIUZCLZEU-UHFFFAOYSA-N 315.760 2.892 0 40 DFAB C[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 195553674 IBDFXKBOVGHMDY-SWHYSGLUSA-N 314.223 2.640 0 40 DFAB CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 96492773 DHZDLLLJSWVUKT-YJBOKZPZSA-N 316.445 2.773 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1c1ccccc1 96432156 KVTJUNYVNDMLNO-BZNIZROVSA-N 307.353 2.689 0 40 DFAB Cc1noc([C@H]2COCCN2Cc2ncc(C(C)C)s2)n1 97103990 XUYVMSKSLGBYGH-LLVKDONJSA-N 308.407 2.531 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)[C@H]1CCOC1 97095068 ZVPZWWXQJYQPKB-GJZGRUSLSA-N 318.417 2.545 0 40 DFAB C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)c1cccs1 96496916 SVVMHOIXAKMNOO-GXTWGEPZSA-N 304.415 2.884 0 40 DFAB C[C@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1cccnc1 96415064 YFQKXRYYVKWQMU-NSHDSACASA-N 306.362 2.529 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCc3ccccc31)C2 97198286 UHKFOEVQELWHOS-WBVHZDCISA-N 309.413 2.743 0 40 DFAB Cc1ccnc(NC[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)c1 97200815 AKWJLIYODXHIFM-HNNXBMFYSA-N 300.406 2.929 0 40 DFAB Cc1cc2nccc(C3CCN(c4ccc(F)cn4)CC3)n2n1 257280887 OMUSIZHALMKAII-UHFFFAOYSA-N 311.364 2.956 0 40 DFAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCCCCC1 256046903 IUQHZQZFYBCELR-UHFFFAOYSA-N 320.780 2.999 0 40 DFAB Cc1cc(-c2cc[nH]n2)nc([C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257220793 DMECZHLOGHWWLA-LBPRGKRZSA-N 313.405 2.537 0 40 DFAB CCn1nccc1-c1ccc(C[C@H]2CCCN(C(C)=O)C2)cn1 257256049 KJWUFIRMLAVHFK-MRXNPFEDSA-N 312.417 2.766 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 41128507 JDEWHFQHXNZESQ-JTQLQIEISA-N 318.760 2.547 0 40 DFAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2cccnc2C)cc1 585279310 ZEUUNKWMYHHNNI-OALUTQOASA-N 324.424 2.907 0 40 DFAB CC(C)Cc1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 56061861 DJFZHWZWIGDIBS-UHFFFAOYSA-N 323.458 2.739 0 40 DFAB NCc1cccc(CN(Cc2ccccn2)Cc2ccccn2)n1 196206421 HECBGNXQFPGVRQ-UHFFFAOYSA-N 319.412 2.533 0 40 DFAB Cn1cccc1[C@@H](CNC(=O)c1cccc(F)c1)N1CCCC1 11845612 XZKHJBBVBWUAMK-QGZVFWFLSA-N 315.392 2.731 0 40 DFAB CCCc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)[nH]n1 12147393 XMNZDSKVYCXCMD-CYBMUJFWSA-N 306.454 2.603 0 40 DFAB COc1ccc(O)c(C(=O)OCc2ccc(-n3cccn3)cc2)c1 14678235 SYLDDXGGJLEIQL-UHFFFAOYSA-N 324.336 2.944 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cc3ccccc3cn2)C1 19399688 VXRDWIOBZRCJIK-HNNXBMFYSA-N 306.369 2.978 0 40 DFAB Cc1cccc(N2CCN(c3nc(C(C)C)cc(=O)[nH]3)CC2)c1 19941882 PVOLLRONOORDBB-UHFFFAOYSA-N 312.417 2.528 0 40 DFAB Cc1ccc(Cl)c2sc(N3CC(n4nccn4)C3)nc12 1888881907 LURUTFPDSZEQNA-UHFFFAOYSA-N 305.794 2.911 0 40 DFAB O=C([C@@H]1CN(Cc2cccc3ccccc23)CCO1)N1CCCC1 1889229274 MWUWCCSBQZKGLJ-IBGZPJMESA-N 324.424 2.663 0 40 DFAB Cc1cc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)no1 1849093088 IXZANQPLRUBDHZ-UHFFFAOYSA-N 321.812 2.527 0 40 DFAB CCCc1noc([C@H]2CC(=O)N(CCc3cccs3)C2)n1 38671174 QESMKVGGPIOKNK-NSHDSACASA-N 305.403 2.642 0 40 DFAB COC[C@](C)(CNC(=O)C1(c2cccs2)CCCC1)OC 575613974 ZDHXTNYKPPUZEK-HNNXBMFYSA-N 311.447 2.728 0 40 DFAB C[C@](O)(CNC(=O)c1nc2ccccc2s1)Cc1ccco1 206614215 KUQODYBMKYBDEI-MRXNPFEDSA-N 316.382 2.613 0 40 DFAB Cc1cc(N2CCNCC2)c2cc(Br)ccc2n1 40175106 ATMAKUFFJBSSBZ-UHFFFAOYSA-N 306.207 2.715 0 40 DFAB in-vitro Cc1cccc(C)c1OCC(=O)/N=c1/[nH]nc(-c2ccccc2)[nH]1 25155193 UXYCTALHOWXMTN-UHFFFAOYSA-N 322.368 2.528 0 40 DFAB C[C@@H]1CCc2c(C(=O)NCCCn3cccn3)csc2C1 40072028 GASXYBRUVPNOBN-GFCCVEGCSA-N 303.431 2.890 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)N3CCC(O)CC3)n2)cc1F 40488765 GJNXPZBXDYPSJV-LLVKDONJSA-N 305.353 2.702 0 40 DFAB CCCC1=NN(C(=O)c2ccccc2N)[C@](O)(C(F)(F)F)C1 871844 ROQRNSBNVCCPKG-CYBMUJFWSA-N 315.295 2.522 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc2ccccc2n1 31594538 FUOTYJNVHZJPFY-OAHLLOKOSA-N 306.369 2.776 0 40 DFAB CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O 11377682 FHUGQKJVFMUKLT-VQIMIIECSA-N 324.380 2.577 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccs2)cc1 1381101 VHLPQIBDARKEDY-LLVKDONJSA-N 319.382 2.618 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@@H](C)OCC2CC2)cc1 60323864 IHJZWKVDWMHZRV-ZIAGYGMSSA-N 305.418 2.900 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)NC[C@H](C)c1ccccc1 32838691 PFXSMMLIGNWXCH-UWVGGRQHSA-N 322.459 2.521 0 40 DFAB CCC[C@@H](C)C(=O)NC1CCN(CCc2ccncc2)CC1 69414510 MJVXZHJFUJLVCE-OAHLLOKOSA-N 303.450 2.641 0 40 DFAB COc1ccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1F 2619873 OBYUMJLDRVPFKT-APPDUMDISA-N 320.364 2.835 0 40 DFAB Cc1cc(C)n(CC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)n1 46640602 DRGGNNRVVFQCTJ-LBPRGKRZSA-N 323.343 2.979 0 40 DFAB CCSCCOC(=O)CCCc1ccc2c(c1)CC(=O)N2 71920421 DHKHXLZUBKJPOI-UHFFFAOYSA-N 307.415 2.800 0 40 DFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCCCC1 2803442 IMCJVWBENAMVAL-UHFFFAOYSA-N 321.393 2.896 0 40 DFAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)ccc1C 54662409 HISVQXZJKMRENL-AWEZNQCLSA-N 315.373 2.715 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc2c1C 42733689 UWMWUIWTMXKVDR-QMTHXVAHSA-N 313.401 2.511 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nncs2)cc1 24636621 NUAJOOPIRUQDIZ-QMMMGPOBSA-N 307.400 2.860 0 40 DFAB Cc1ccc(-c2noc(CN3C[C@@H](C)OC[C@H]3C)n2)cc1F 106046111 RMOVUSIIYRRAED-VXGBXAGGSA-N 305.353 2.793 0 40 DFAB CC(=O)Nc1ccc(OC(=O)COc2ccc(F)cc2F)cc1 24753037 RRWDTHUNDKRLDY-UHFFFAOYSA-N 321.279 2.908 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CN)[C@@H]2c2ccccc2)cc1 218049435 XDKJNKPOHFAFHI-YESZJQIVSA-N 301.411 2.510 0 40 DFAB O=C(Cn1c(CCCO)nc2ccccc21)Nc1ccccc1 12550338 DEUDISVXGKLODF-UHFFFAOYSA-N 309.369 2.600 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2o1 26916999 UZRAHJOYUBBEAB-INIZCTEOSA-N 321.380 2.501 0 40 DFAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCCO1 47832601 FFJBFWCVWIRTBZ-VHSXEESVSA-N 301.358 2.741 0 40 DFAB CCCCOc1ncccc1CNC(=O)NCc1ccoc1 58172254 YASMGSXENADKOH-UHFFFAOYSA-N 303.362 2.853 0 40 DFAB CC(=O)c1ccc(OCC(=O)NCCc2ccc(F)cc2)cc1 3293743 MTEBDMSIMRBUPZ-UHFFFAOYSA-N 315.344 2.766 0 40 DFAB Cc1cc(C)cc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 58277787 HZQLMGWEHRHIAG-ZDUSSCGKSA-N 314.351 2.917 0 40 DFAB Cc1nc(N2C[C@@H](C(=O)O)CC2=O)sc1-c1ccccc1 44979103 BJVVXNUQMGMASL-NSHDSACASA-N 302.355 2.556 0 40 DFAB COc1ccc(N(C)C(=O)C2=NO[C@H](c3ccccc3)C2)cn1 58312393 ATLYADGESMEMQE-HNNXBMFYSA-N 311.341 2.571 0 40 DFAB COc1c(CN[C@H]2CCCOc3ccccc32)c(C)nn1C 58342015 IDNLZWCPYXQCET-HNNXBMFYSA-N 301.390 2.741 0 40 DFAB COc1ccc(OCc2nn3c(C(C)C)nnc3s2)cc1 2242196 BNQVVWHPDSQMOS-UHFFFAOYSA-N 304.375 2.897 0 40 DFAB CCCOc1cc(CN(C)Cc2nccn2C)ccc1OC 96003580 GQGOQUAJVLJCDY-UHFFFAOYSA-N 303.406 2.850 0 40 DFAB CC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 3504241 MHLWGEYQHCZIDD-UHFFFAOYSA-N 301.317 2.724 0 40 DFAB CCOC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 48571296 KDYNRDBLDBILSS-SNVBAGLBSA-N 313.195 2.624 0 40 DFAB Brc1cc(CNc2ncccn2)cc2c1OCO2 49100073 BWZNHMYFNBUBAI-UHFFFAOYSA-N 308.135 2.580 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cn(C)c2ccccc12 69659072 OONDGLMMVKGECZ-ROUUACIJSA-N 311.429 2.877 0 40 DFAB Cc1ccc2c(Cn3cnc4ccccc4c3=O)cc(=O)oc2c1 6086854 PFSARSHLIZDLAP-UHFFFAOYSA-N 318.332 2.860 0 40 DFAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccncc2)cn1 69727623 UBHBHUAQMPISQC-UCFODXPJSA-N 318.380 2.734 0 40 DFAB Cc1cnn(CCNCc2cccc(OCC(F)(F)F)c2)c1 69892724 GQYYTHKRTSMRNG-UHFFFAOYSA-N 313.323 2.922 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccco1 14094326 ZAAXAFYFHJWZHI-UHFFFAOYSA-N 323.352 2.581 0 40 DFAB CC(=O)c1cccc(OCC(=O)N2CCc3sccc3C2)c1 14117853 IMQILLFYVWVHII-UHFFFAOYSA-N 315.394 2.914 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 4702662 OBVXYQJYJVWPTB-UHFFFAOYSA-N 314.385 2.892 0 40 DFAB C[C@H]1Cc2ccccc2N1CC(=O)NCCc1cccs1 7114905 UXMAXSGKWJEPDY-ZDUSSCGKSA-N 300.427 2.858 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)s1 7192787 AYCAGNGVCDDKNU-JTQLQIEISA-N 319.455 2.912 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)no1 7301746 TYMHXDGLZZHIHB-JTQLQIEISA-N 313.313 2.648 0 40 DFAB CCn1cnnc1CN(C)C(=O)c1scc2c1CCCC2 67867087 MNANQABDHHBSNI-UHFFFAOYSA-N 304.419 2.511 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H](C)O1 16088992 BWENIGARWYEFKL-DTORHVGOSA-N 324.229 2.791 0 40 DFAB CCCC(=O)NCC(=O)N1CC[C@H](CSc2ccccc2)C1 81288670 FHHINIPHAJAURE-AWEZNQCLSA-N 320.458 2.544 0 40 DFAB O=C(NCc1ccccn1)Nc1ccc(Cn2cccn2)cc1 69200888 LMIRLFQGDMVEBL-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB O=C(NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ccc2c1 9418504 MFMDNRFFYWUPNG-UHFFFAOYSA-N 311.316 2.562 0 40 DFAB CCC(=O)c1cccc(NC(=O)c2ccc(C(N)=O)s2)c1 89941798 VUCVEGXYJHUTGE-UHFFFAOYSA-N 302.355 2.692 0 40 DFAB COC(=O)c1cccc(C(=O)N2CCCCc3ccccc32)n1 71799404 FEVDZZXXAZCQIS-UHFFFAOYSA-N 310.353 2.851 0 40 DFAB Cc1ccc(CNC(=O)C2CCN(c3cc(C)ncn3)CC2)cc1 301478321 PZMVUDZIASNAIS-UHFFFAOYSA-N 324.428 2.626 0 40 DFAB Cc1ccc(OCCNC(=O)c2ccc3[nH]cnc3c2)c(C)c1 9888539 RQSYCPLKOSCMAF-UHFFFAOYSA-N 309.369 2.989 0 40 DFAB Cc1cnc(CN2CCC[C@H]2c2c(C)nn(C)c2Cl)cn1 75605250 XPIBNHJUFQOQML-ZDUSSCGKSA-N 305.813 2.817 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 72235285 FFEVQHZOMXCBSK-CQSZACIVSA-N 302.378 2.582 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)o1 72296796 LEZFQTCOPWWBNY-FBOQAHMBSA-N 301.390 2.699 0 40 DFAB Cc1ccnn1-c1ccccc1NC(=O)NC1CCC(O)CC1 97107810 XIEQJNQHELLKRR-UHFFFAOYSA-N 314.389 2.606 0 40 DFAB Cc1cnc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cn1 76040928 KICBYNXDAYQITF-UHFFFAOYSA-N 316.792 2.925 0 40 DFAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)CCc1ccsc1 95424808 LWBRBSDDNNBMCB-INIZCTEOSA-N 315.394 2.891 0 40 DFAB CCCn1c(C)nnc1CSc1nc(C)nc(C)c1C(C)=O 95448490 UQKUPGFYESEDRZ-UHFFFAOYSA-N 319.434 2.898 0 40 DFAB C[C@H](NC(=O)Cc1cccs1)c1ccc(-n2ccnn2)cc1 95440416 JSEJIKAYNKOEDN-LBPRGKRZSA-N 312.398 2.749 0 40 DFAB Cc1noc(C)c1C[S@@](=O)Cc1noc(-c2ccccc2)n1 95428082 YBLQXIGRNBLVIH-QFIPXVFZSA-N 317.370 2.790 0 40 DFAB Cc1ccccc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 27623351 VRSFIIQFZDIWIC-SFHVURJKSA-N 316.445 2.502 0 40 DFAB O=C(O)/C=C/c1cnc(/C=C/c2ccc(-n3cncn3)cc2)s1 79025993 JCCKALIHFJFSAZ-ABHPZVFCSA-N 324.365 2.992 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 20154034 WXUWGODQIDHVNR-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1 409129127 UNCOZGPIQWOHQE-JLHYYAGUSA-N 307.371 2.768 0 40 DFAB O=C(C[C@@H]1C=CCC1)OC1CCN(c2ccc(Cl)nn2)CC1 78989000 HUQJFKMTQHGNCC-GFCCVEGCSA-N 321.808 2.998 0 40 DFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 35982071 KKFOLMRJEYQFJU-ZOBUZTSGSA-N 319.445 2.997 0 40 DFAB O=C(O)CN1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384675 HUBVEKZDACBBMI-NSHDSACASA-N 304.375 2.503 0 40 DFAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1F 32586130 QXFOTSJCLNNEJZ-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB O=C(Nc1c(F)cccc1F)c1ccnc(O[C@H]2CCOC2)c1 182206926 SQPLFCNZVZMPGZ-NSHDSACASA-N 320.295 2.780 0 40 DFAB COc1ccccc1-c1ccc(N[C@@H](C)Cc2cnccn2)nn1 71760251 BGKYGBIZNVTCRY-ZDUSSCGKSA-N 321.384 2.985 0 40 DFAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(CC1CCCC1)C2 72337100 YGERPOBJOGBYHR-UHFFFAOYSA-N 312.417 2.861 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)NCc1cccc(C)c1 74934597 KCHCRRJJFNVAOO-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1C 47523210 PFMPGJFNVOFTTH-UHFFFAOYSA-N 324.428 2.703 0 40 DFAB S=C(NCc1cccnc1)Nc1ccc(Br)cn1 223936912 VHJMTOCDFDAVHJ-UHFFFAOYSA-N 323.219 2.726 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)N2CCCCCC2=O)cc1 227115640 IIKQFWJXMOHWJC-CYBMUJFWSA-N 304.390 2.815 0 40 DFAB Nc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(Cl)c1 226238681 YIKVWYURCJRARU-UHFFFAOYSA-N 319.817 2.978 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1 223922979 YVCQONIXRPQVFR-UHFFFAOYSA-N 319.426 2.969 0 40 DFAB CC1=CCC[C@H](C)[C@H]1CN1CCN([C@H]2CCCN(C)C2)CC1 225514247 JUOPBAQLZQBKFK-FHWLQOOXSA-N 305.510 2.691 0 40 DFAB CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccon2)n1 191450572 FALWQZGIVKCFIC-LBPRGKRZSA-N 307.375 2.645 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)N[C@@](C)(CO)C2CC2)c1 84878486 GRLGFDKTHOXPHW-KRWDZBQOSA-N 305.422 2.814 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 44883293 YWKPJKLGXJZKRH-SJCJKPOMSA-N 313.353 2.712 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)Cc1ccc(C(=O)O)s1 574091454 GILZAXLBCDCUIN-UHFFFAOYSA-N 319.382 2.850 0 40 DFAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 195558648 QCZBILRXHMYNOL-QXSJWSMHSA-N 324.465 2.691 0 40 DFAB CCC[C@@]1(COC)CCCN1C(=O)Nc1c(C)ccn(C)c1=O 194778846 IYEMNGHFIZFDGS-KRWDZBQOSA-N 321.421 2.507 0 40 DFAB CC(C)=CCC[C@H](C)NC1CCN(C(=O)c2cnccn2)CC1 90052524 YAQDHBGPHUNOJN-HNNXBMFYSA-N 316.449 2.806 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3ccc(C)s3)CC2)CO1 96105828 KTTAQDKXNUQPCC-CYBMUJFWSA-N 309.431 2.714 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nc(N(C)C)n1 96101157 YVPQGYDUERJNFV-CHWSQXEVSA-N 304.438 2.784 0 40 DFAB CCOCc1cnc2n1CCN(C(=O)Cc1cccs1)[C@@H]2C 96109672 QKRLUXUOPZDXOI-GFCCVEGCSA-N 319.430 2.627 0 40 DFAB CC(C)CN1CCC[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96215434 PYWZASIWCOMDCQ-GOSISDBHSA-N 301.434 2.666 0 40 DFAB C[C@@]1(C(=O)NCc2ccco2)CC(c2cccc(F)c2)=NO1 96192965 PVZCFMFAMAJEEE-INIZCTEOSA-N 302.305 2.618 0 40 DFAB Cc1cn2c(=O)c(C(=O)NCCC3=CCCCC3)cnc2s1 95474416 GGGMQPKVKRIYQU-UHFFFAOYSA-N 317.414 2.685 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181858 UYJRYXOJNWUAHT-ZBFHGGJFSA-N 306.381 2.604 0 40 DFAB CCn1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)n1 96182952 AEJBBYZXZDSQRE-UHFFFAOYSA-N 312.373 2.775 0 40 DFAB CN(C[C@@H]1CCOC1)C(=O)N[C@H](c1ccccn1)C1CCCC1 96455151 OVWALURMCUPJHV-YOEHRIQHSA-N 317.433 2.991 0 40 DFAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2)c1 98087063 ADADVRFTGONQBI-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)CO1 96105836 UMSPTPQLBFEIGC-NNTXTVRGSA-N 321.442 2.805 0 40 DFAB CCCOc1ccc(Cl)cc1C(=O)NN1CCCCC1=O 96454259 HVEYDWKBGIXDIZ-UHFFFAOYSA-N 310.781 2.786 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@@]2(CCCC(=O)N2C)C1 96229707 MAIOUUMKRADKDP-INIZCTEOSA-N 306.431 2.674 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 257263540 LQKSAQZIFAHTLL-INIZCTEOSA-N 310.401 2.815 0 40 DFAB CC(C)Cc1nnc(N2CC[C@H](Oc3ccccc3)C2)n1C 563809934 DCCMRPFBSUVPSU-HNNXBMFYSA-N 300.406 2.671 0 40 DFAB O=C(NCc1ccc(F)cc1)N1CCn2nc(C3CC3)cc2C1 390829074 CPNXAJYPUOPUNC-UHFFFAOYSA-N 314.364 2.625 0 40 DFAB CCOCC[C@H]1CCOC12CCN(Cc1cc(C)on1)CC2 585103275 AOPLKADCJGCFFW-HNNXBMFYSA-N 308.422 2.781 0 40 DFAB CC(C)(C)n1cc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)nn1 585093584 GKDSWYPPHWNTHK-PBHICJAKSA-N 313.449 2.929 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)no1 44889814 RTOLLIIYDMJXFY-JTQLQIEISA-N 303.318 2.637 0 40 DFAB O=C(O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccccc1 47202309 PLUIGCSAPWFPTQ-MDZDMXLPSA-N 321.329 2.937 0 40 DFAB Cn1cc(CCC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 55364734 YBBNXMOLTOXHQP-KRWDZBQOSA-N 312.417 2.892 0 40 DFAB O=C(Cn1c(-c2ccccc2)noc1=O)c1ccc2c(c1)CCC2 65722974 MVXYRCSBACVGAN-UHFFFAOYSA-N 320.348 2.875 0 40 DFAB C[C@H](NCCN1CCCC1=O)c1ccccc1Br 96490703 IMXUOHUBLSRTSX-NSHDSACASA-N 311.223 2.722 0 40 DFAB NC(=O)C[C@@H]1CN(C2CCCCC2)CC[C@H]1Oc1ccccc1 1615140823 HSUHDVFSCVQVIJ-CRAIPNDOSA-N 316.445 2.964 0 40 DFAB CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1CN(CC)CC 1772594958 KZGSIBFXQUSHDS-BZUAXINKSA-N 312.498 2.610 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@H]2O 12494057 GUGSXATYPSGVAY-LFJLJVMTSA-N 306.446 2.642 0 40 DFAB endogenous,in-man C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](OCC2CC2)C1 390830492 LJLHGKMSULCTJE-OCCSQVGLSA-N 307.365 2.621 0 40 DFAB CCCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN1 953015716 DMFXEKQWNRUBIV-HXUWFJFHSA-N 323.440 2.940 0 40 DFAB C[C@H](CCS(C)(=O)=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 249185906 KTADLENDXGYJRU-MXWKQRLJSA-N 301.374 2.520 0 40 DFAB CC(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 67377 SLMICIWGVZQIKU-UHFFFAOYSA-N 322.320 2.987 0 40 DFAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2 9176165 WNLZHCILLGUGOY-UHFFFAOYSA-N 315.310 2.779 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 28577190 ZQFAGURFCRNNCE-GFCCVEGCSA-N 321.446 2.757 0 40 DFAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnsc1Cl 40498004 JNWJQSVVDFTMLM-PSASIEDQSA-N 322.821 2.559 0 40 DFAB CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C 98969 AGUSIXSKWXWLOG-UHFFFAOYSA-N 310.400 2.763 0 40 DFAB CC1(CNC(=O)c2cccc3c2OCCO3)Cc2ccccc2C1 94100835 STXHTHNREQKCIW-UHFFFAOYSA-N 323.392 2.993 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 67800979 FTGOZNIDLXZUMV-ZDUSSCGKSA-N 308.353 2.565 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)C(=O)c2ccccc2F)cc1 40554497 GVOBWZJSFCZDSL-UHFFFAOYSA-N 307.346 2.595 0 40 DFAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21 2583098 OHPBREBKPBFZCY-CYBMUJFWSA-N 318.373 2.699 0 40 DFAB CCCCCC[C@H](C)NC(=O)CCC(=O)NC[C@H]1CCCO1 6592036 CRPAABVWWCQXAW-LSDHHAIUSA-N 312.454 2.537 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6742518 XOUZCEVFACJLOS-BVIHXZOGSA-N 303.358 2.689 0 40 DFAB Fc1ccc(NC(=S)NC[C@H]2COc3ccccc3O2)cc1 7642798 XUBYKGBXWMTDNL-ZDUSSCGKSA-N 318.373 2.952 0 40 DFAB CC(C)/C=C1/NC(=O)[C@H](C(C)C)n2c1nc1ccccc1c2=O 100066543 RBFIISQAYNLQQY-HNRFISLBSA-N 311.385 2.720 0 40 DFAB biogenic,in-vitro O=C(CN1CCC[C@@H]1c1cccs1)NC(=O)NC1CCCC1 8320071 KAHMMIDWAPMJNW-CYBMUJFWSA-N 321.446 2.653 0 40 DFAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC/C=C/c1ccccc1 75143006 BGWXKQQWILSFSI-JGZYNSJSSA-N 322.408 2.693 0 40 DFAB Cc1ccc(C(=O)NCCc2cccc3ccccc23)c(=O)[nH]1 75118670 UKRRXJDVSBXGKJ-UHFFFAOYSA-N 306.365 2.809 0 40 DFAB CC[C@H](NC(=O)c1ccc(C)[nH]c1=O)c1ccccc1OC 75118664 ILRBXLCMLNIMIF-AWEZNQCLSA-N 300.358 2.573 0 40 DFAB C[C@@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 46257384 KOTNQAUWPHRPSP-LLVKDONJSA-N 320.389 2.739 0 40 DFAB CC(C)Oc1ccc(C(=O)Oc2cccc(-n3cnnn3)c2)cc1 21798404 OZEZPOLOSMINTN-UHFFFAOYSA-N 324.340 2.669 0 40 DFAB C[C@@H](O)c1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 100259758 XEAFACLEGDPVEF-HWOJHCLVSA-N 317.385 2.800 0 40 DFAB O=C(c1ccc(Br)s1)N1CCO[C@H]2CCC[C@@H]21 42291111 ZORXNJRKHGDUTI-IUCAKERBSA-N 316.220 2.904 0 40 DFAB c1cncc(CO[C@H]2[C@H]3CC[C@H]2N(Cc2ccco2)CCO3)c1 107775581 CPFCDYINRKRKJI-KZNAEPCWSA-N 314.385 2.623 0 40 DFAB COc1cccc(-c2n[nH]cc2CNC[C@@H]2CCCOC2)c1 54181331 VPMKTMUAAPQPTF-ZDUSSCGKSA-N 301.390 2.602 0 40 DFAB Cc1ccc(NC(=O)c2cccnc2N2CCOCC2)c(C)c1 23995878 RRJXOTBYIDBEBS-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB O=C(c1cccnc1)N1CCN(c2nsc3ccccc23)CC1 12360255 JLGHCUUDKDDTTA-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB C[C@H](CNC(=O)c1ccsc1)N1CCc2ccccc2C1 25635828 JGFGKKHFDWPPLY-CYBMUJFWSA-N 300.427 2.925 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1nc(-c2ccc[nH]2)cs1 57441630 UQDAKLHSXDRDEX-JTQLQIEISA-N 309.391 2.518 0 40 DFAB CC[C@@H](C(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 44868500 ARVWDBSRYRKAGY-CYBMUJFWSA-N 318.398 2.991 0 40 DFAB Cc1ccc2nc(CN3C(=O)CC4(CCCCC4)C3=O)cn2c1 12507069 IKZBXXPGSZBGCL-UHFFFAOYSA-N 311.385 2.852 0 40 DFAB Cc1cccc(N2CCN(c3ncccc3C(=O)O)CC2)c1C 12586124 ZVSDAZRYAABNAB-UHFFFAOYSA-N 311.385 2.723 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27883556 NRNNKGDGLHDXRR-WFASDCNBSA-N 316.405 2.618 0 40 DFAB COc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CC1 58311156 MESRFJBOHFYULW-UHFFFAOYSA-N 305.765 2.576 0 40 DFAB CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 7643385 KADZMBWRKWEAIQ-IWGCBNPKSA-N 315.200 2.647 0 40 DFAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)C12CC3CC(CC(C3)C1)C2 8489505 RINSEQSUPRVDJD-HALIQOIHSA-N 306.435 2.653 0 40 DFAB CCNC(=O)CN(CC)C(=O)c1cc(Cl)ccc1Cl 48311275 PVDJLSWAMCJYNA-UHFFFAOYSA-N 303.189 2.592 0 40 DFAB COC(=O)c1sc2nc(-c3ccsc3)[nH]c(=O)c2c1C 48622807 DWJNLFZNWKWCBW-UHFFFAOYSA-N 306.368 2.808 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccn3)CC2=O)c1C 69599202 MXIJSLIEOSFURY-AWEZNQCLSA-N 309.369 2.690 0 40 DFAB COc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1 3984924 NOTAJQNFWFLWRX-UHFFFAOYSA-N 309.321 2.894 0 40 DFAB biogenic COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 3907358 YBESPLHEOCGMTK-WCQYABFASA-N 313.419 2.561 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 8012891 PTFMTROQBSVMLH-LBPRGKRZSA-N 324.384 2.897 0 40 DFAB O=S(=O)(Nc1cccc2cccnc12)c1cncc(F)c1 63476495 PETGSHAICJIUTK-UHFFFAOYSA-N 303.318 2.570 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)Cc2sc(S)nc2C)C1 49411865 CHEJRMZZHZPUDU-LLVKDONJSA-N 314.476 2.700 0 40 DFAB COc1ccc2c(c1)[nH]c1c(N3C[C@H](C)O[C@H](C)C3)ncnc12 13512513 LRBRQFXAPRNTSQ-PHIMTYICSA-N 312.373 2.733 0 40 DFAB CN(C)c1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 69346146 HZJDSIUWMGXYGO-VIFPVBQESA-N 302.296 2.746 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1 28223946 XUBZJQKQXBFCAC-SECBINFHSA-N 324.178 2.854 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)c1ccc2c(c1)CCC2 5636450 LICQKRGPXIHLKO-MRVPVSSYSA-N 305.428 2.973 0 40 DFAB COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1 5733531 KZBAXKKOXPLOBX-UHFFFAOYSA-N 314.293 2.888 0 40 DFAB biogenic,in-vitro O=C(NC[C@@H]1CCCO1)Nc1cc(-n2cccc2)ccc1F 69415773 ZSCNEJFULZFCOD-ZDUSSCGKSA-N 303.337 2.917 0 40 DFAB CCN(C)c1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)cc1 66914880 AZMRRVRACQYVCA-UHFFFAOYSA-N 321.384 2.976 0 40 DFAB Cc1nc([C@@H](NC(=O)Cc2cccs2)c2ccccc2)n[nH]1 69898849 CFILOIYZSABXKD-HNNXBMFYSA-N 312.398 2.623 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1)c1cnc(-c2ccccc2)nc1 67287648 DERBZBNPHIJHNT-QGZVFWFLSA-N 319.364 2.607 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)c1[nH]nc(C2CC2)c1Cl 89764585 XAIQBUJZBVJLMX-UHFFFAOYSA-N 303.753 2.860 0 40 DFAB O=C(Nc1ccc2[nH]cnc2c1)c1ccccc1[C@H]1CCNC1 72152337 MTVWTAVGEPANMV-LBPRGKRZSA-N 306.369 2.892 0 40 DFAB CC(=O)c1cccc(NCC(=O)N2CCc3ccccc3C2)c1 19774761 XYUIGDGHAYEWQZ-UHFFFAOYSA-N 308.381 2.886 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 72235667 ZUZMHAWCXABQCX-CQSZACIVSA-N 316.405 2.836 0 40 DFAB CC(C)CCNC(=O)COC(=O)c1nccc2ccccc12 64734782 IAUVYLOKWTYDEA-UHFFFAOYSA-N 300.358 2.554 0 40 DFAB COC(=O)c1csc(NC(=O)c2cc(C(C)C)n(C)n2)c1 89893339 AHEFTMRORJCASI-UHFFFAOYSA-N 307.375 2.644 0 40 DFAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NCC1CC1 89866573 FHJSCNSPBNZOOU-UHFFFAOYSA-N 309.413 2.783 0 40 DFAB CCN(Cc1cccs1)C(=O)NCc1c(C)cc(C)[nH]c1=O 72305702 ZJJREKZIMCSNDI-UHFFFAOYSA-N 319.430 2.785 0 40 DFAB CCCN(CC1CC1)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 97357506 IEZLARBFMLSFGR-UHFFFAOYSA-N 315.421 2.689 0 40 DFAB CC[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@H]1O 89948608 ATHQUTRGQKOVQF-SWLSCSKDSA-N 309.431 2.557 0 40 DFAB CC1CCN(CC(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 84698040 APTUQZZUEAQHPS-UHFFFAOYSA-N 317.408 2.698 0 40 DFAB COCc1cc(N(C)Cc2ccccn2)nc(C(C)(C)C)n1 95413785 XATCUYJNFYGCTB-UHFFFAOYSA-N 300.406 2.952 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95447909 DZUXBVUKLFCCSN-FUHWJXTLSA-N 306.365 2.864 0 40 DFAB CC1CCN(C(=O)c2ccc(NC[C@H]3CCC[C@H]3O)nc2)CC1 76061416 GUVQPYIAWAYGGT-GDBMZVCRSA-N 317.433 2.527 0 40 DFAB O=C(O)c1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 88436164 XURWFXWGDJGVGA-UHFFFAOYSA-N 301.264 2.799 0 40 DFAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H](O)CC(C)C 77712170 MRLKWPHBMQPUNT-CYBMUJFWSA-N 318.377 2.574 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 78154801 XIZAGJGNZMAYET-GCSSGZNBSA-N 303.377 2.859 0 40 DFAB Clc1ccc(N2CCC(CCN3CCOCC3)CC2)nc1 78656025 NHYUPPJZKSUTDI-UHFFFAOYSA-N 309.841 2.674 0 40 DFAB O=C(NCCC1CCC1)NC1CCN(Cc2cscn2)CC1 95964734 WZLCBZGNAYWPJL-UHFFFAOYSA-N 322.478 2.597 0 40 DFAB C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(NC(=O)C2CC2)cc1 95984457 JADUTLHZMWBFIK-ZLIFDBKOSA-N 302.418 2.989 0 40 DFAB CC(C)N(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C1CC1 78822567 SDZRGXYOZSLQFN-UHFFFAOYSA-N 313.401 2.564 0 40 DFAB O=C(CCc1nc2ccccc2o1)NCCOc1ccccc1 29225012 PLIPOXGGWYGKMW-UHFFFAOYSA-N 310.353 2.956 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)[C@H]3C)cc1 26896971 GYEXJJHYJSNDAA-NEPJUHHUSA-N 303.383 2.969 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccco3)c12 61721217 BQJNPWPAEFTJNX-UHFFFAOYSA-N 312.373 2.923 0 40 DFAB Cc1ccnc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203052 CDLDDAGNZHFLPO-ZDUSSCGKSA-N 306.410 2.987 0 40 DFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203377 SOWVRIADORWMIL-CYBMUJFWSA-N 307.394 2.872 0 40 DFAB COC(=O)CC1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 79476987 FUAUTFOGAJNUGP-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cscn1 189495748 IVBCBUSEIFDMNX-INIZCTEOSA-N 304.415 2.947 0 40 DFAB CC[C@]1(C)CN(C(=O)NCc2noc3ccccc23)CCO1 563373465 JWGNLTTUECSLLY-MRXNPFEDSA-N 303.362 2.538 0 40 DFAB COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1Cl 86280265 YDPNALILVKEPGO-GXSJLCMTSA-N 314.744 2.942 0 40 DFAB O=C(Cc1ccccc1F)NCc1nc(-c2ccccc2)no1 43995861 RNQLSZFYJPLMKV-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB CC(=O)c1ccc(CCNC(=O)COCc2ccccc2)s1 225672917 FVGGOICKWHLJSR-UHFFFAOYSA-N 317.410 2.826 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1C 226388677 BCNNJHDWOXQMDX-OBRKIGFESA-N 322.408 2.726 0 40 DFAB COc1ccc(NC(=O)C(C)(C)C)cc1C(=O)N1CCCC1 225957389 HGAYFPCYHUVXNJ-UHFFFAOYSA-N 304.390 2.916 0 40 DFAB CSc1cccc(NC(=O)COc2c(C)occc2=O)c1 40287555 NJUCSVCGLUWHLK-UHFFFAOYSA-N 305.355 2.688 0 40 DFAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NC(C)C)n1 225889602 CHSKLQNSGXJVDZ-UHFFFAOYSA-N 307.467 2.716 0 40 DFAB CC(C)c1cc(/C=C2/NC(=S)NC2=O)cc(C(C)C)c1O 143283981 JBFTZYKCIIQTGI-NTUHNPAUSA-N 304.415 2.984 0 40 DFAB C[C@@H](NC(=O)C1(c2cccs2)CCCCC1)C(=O)N(C)C 96414446 NXXYADHXEQDBDO-GFCCVEGCSA-N 308.447 2.543 0 40 DFAB O=C(Nc1nc(-c2ccccn2)cs1)c1n[nH]c2c1CCC2 95478874 UWMZTUGAPHNZOS-UHFFFAOYSA-N 311.370 2.669 0 40 DFAB CC(C)n1ccc(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)n1 96408048 BBTVMARMISATKG-CHWSQXEVSA-N 318.421 2.711 0 40 DFAB CCO[C@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 96420042 YGKFYGCOEVUCLO-LDYMZIIASA-N 306.189 2.568 0 40 DFAB COCc1cnc2n1CCN(CCOCc1ccccc1)[C@@H]2C 96208785 NAZAVYWPHNWUIC-OAHLLOKOSA-N 315.417 2.623 0 40 DFAB c1cncc(CN2CCc3c(COCC4CC4)cncc3C2)c1 96189400 PTXCAOKNGMWEFX-UHFFFAOYSA-N 309.413 2.962 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)c1 96448174 KDBSCSOVFZRXSN-UHFFFAOYSA-N 322.386 2.976 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C)o1)C2 96056847 KBURDOLOQUWYKL-WBVHZDCISA-N 307.390 2.636 0 40 DFAB Cc1ccnc(N2CCc3c(ncn3CCc3ccccc3)C2)n1 96502008 VQQZWRGXHLAQCK-UHFFFAOYSA-N 319.412 2.787 0 40 DFAB C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCO1 97374206 PRAJECVZKFUIER-NOZJJQNGSA-N 300.761 2.575 0 40 DFAB O=C(Cn1cnc2ccccc21)N1CCCC[C@H]1c1ccn[nH]1 257242778 IECBPQONRICOJY-INIZCTEOSA-N 309.373 2.513 0 40 DFAB COC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 253595590 GJCTYLNZVFYEJY-YATPDGEBSA-N 314.385 2.538 0 40 DFAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CCCCC1 256049028 XUQITTPKNNZMEA-UHFFFAOYSA-N 306.753 2.609 0 40 DFAB c1ccc(CCCN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)cc1 257235221 GWYCMRNDLZDPDK-IBGZPJMESA-N 323.440 2.743 0 40 DFAB Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3F)C2)n1 390828756 BUUHHUKIZXOAFK-SNVBAGLBSA-N 323.318 2.857 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575404251 MJPLMMFQIFRSGM-CYBMUJFWSA-N 322.380 2.550 0 40 DFAB CC(C)N1CCC(NC(=O)Cc2c[nH]c3cc(F)ccc23)CC1 69509573 FSQWYPVVKBPLSN-UHFFFAOYSA-N 317.408 2.839 0 40 DFAB Cc1nc(CNC(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)no1 76088038 KYWRYFPFLOCDHS-JTQLQIEISA-N 306.341 2.694 0 40 DFAB NC(=O)CC1(NC(=O)Nc2cc(Cl)ccc2Cl)CCC1 583650511 OBNUJEJZUFOWPG-UHFFFAOYSA-N 316.188 2.913 0 40 DFAB C[C@@H](O)[C@@H]1CCCCN1C(=O)c1sccc1Br 195552660 QEVIVBYMMRDUML-SCZZXKLOSA-N 318.236 2.886 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 5101174 RZNRCIQHDLGKBF-PSJXJDHFSA-N 320.414 2.707 0 40 DFAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)o1 5007408 OKUXPNACEKVDEY-YRNVUSSQSA-N 323.370 2.966 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C)C2)c2cccnc2n1 12254174 ZUJIVGQXTKCDSH-KYOSRNDESA-N 310.401 2.695 0 40 DFAB CN(CCOc1ccccc1)C(=O)c1cnc(C(C)(C)C)nc1 12325396 DJTZBMBQKMRTRQ-UHFFFAOYSA-N 313.401 2.925 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)N[C@@H]1CCCC[C@@H]1C 12950580 XIWFRAZLFQJSSD-DZGCQCFKSA-N 318.417 2.510 0 40 DFAB NC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 19796385 SIEABBLNLRRUTN-IBGZPJMESA-N 312.413 2.598 0 40 DFAB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1cccs1 154050593 GJPVBKKJOOTCPK-UHFFFAOYSA-N 310.444 2.919 0 40 DFAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 905400 XCLNTYAJEBWIRS-UHFFFAOYSA-N 310.448 2.550 0 40 DFAB CN(C(=O)c1cc(F)cc(Cl)c1)C1CN(c2ccccn2)C1 1888864118 RBMIQLXMAJFXJC-UHFFFAOYSA-N 319.767 2.835 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)c(C(=O)O)c1 20555886 XUIOKYUWULTRJU-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1 29388953 WJTQDHIZRKZZQJ-UHFFFAOYSA-N 312.295 2.957 0 40 DFAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccsc1 238933295 VGSQVWUZANYKAY-UHFFFAOYSA-N 316.342 2.594 0 40 DFAB CC(C)N1CCC[C@@]2(CC1)CC(=O)NCc1ccccc1N2 2037989205 ZFLLECYKILOLOX-GOSISDBHSA-N 301.434 2.752 0 40 DFAB O=C(O)C[C@@H](NC(=O)C1CCCCC1)c1ccc2c(c1)OCO2 4720726 LDIPFBBQAJXABG-CYBMUJFWSA-N 319.357 2.628 0 40 DFAB O=C(c1cccc(Cl)n1)N1CC[C@]2(COc3ccccc32)C1 2055785110 FWXZXSFKJWINMA-QGZVFWFLSA-N 314.772 2.911 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 21986583 HFEQYXCCAIHIBP-UHFFFAOYSA-N 302.378 2.620 0 40 DFAB Cc1cc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)n(C)n1 585149443 SLYAZOAUUAUQMD-OAHLLOKOSA-N 319.430 2.688 0 40 DFAB O=C(NCc1ccccn1)[C@H]1CCCN1c1nc2ccccc2o1 618255479 QMHLVXCQWPCLAY-OAHLLOKOSA-N 322.368 2.508 0 40 DFAB COc1ccc(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)cc1 100087265 UGEDDWWRJRTREP-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100046116 JVCWLPHGDRCCOH-IHYJYHRXSA-N 309.365 2.643 0 40 DFAB COC(=O)CCCCCCNC(=O)NCCc1ccc(F)cc1 40119881 SLKLMODSRHUZND-UHFFFAOYSA-N 324.396 2.791 0 40 DFAB CCc1nn2c(=O)cc(CNc3cc(C)cc(C)c3)nc2s1 40466069 YRBUSAKMCLRBTQ-UHFFFAOYSA-N 314.414 2.942 0 40 DFAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C)N1C(C)=O 47092 CCKPGZKAZFRFHP-BMIGLBTASA-N 300.358 2.565 0 40 DFAB Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2 20389796 RVBCZDXWSUFMQA-UHFFFAOYSA-N 308.429 2.596 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc[n+]([O-])c3)C2)cc1 50769317 ZRMQMWJHJKLFAL-QGZVFWFLSA-N 310.397 2.723 0 40 DFAB CC1CCC(NC(=O)N[C@H](C)c2nnc3ccccn23)CC1 45589140 OSIWOBJKAGLCFP-OTTFEQOBSA-N 301.394 2.668 0 40 DFAB Cc1noc(C)c1COc1ccc(/C=C/C(=O)N(C)C)cc1 40510487 ZFPBQYXWUILRES-JXMROGBWSA-N 300.358 2.972 0 40 DFAB CCOc1ccc(-c2cc(C(=O)NCc3ccncc3)n[nH]2)cc1 51315873 CKHVKLJYTUYSPQ-UHFFFAOYSA-N 322.368 2.800 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncccn2)cc1 6910811 NBYVVQOZFQNNJY-SNVBAGLBSA-N 316.386 2.554 0 40 DFAB CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 6949645 AFHHMCQKXOSQKQ-FOWTUZBSSA-N 321.380 2.963 0 40 DFAB CN(CC(=O)NC(=O)Nc1ccccc1F)Cc1ccccc1 7785562 FWEBZZUNKLFSOE-UHFFFAOYSA-N 315.348 2.606 0 40 DFAB COC[C@H](C)NC(=O)COC(c1ccccc1)c1ccccc1 32478796 ZEANHVMKMMWVRZ-HNNXBMFYSA-N 313.397 2.944 0 40 DFAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)NC2CC2)N1C 8393860 ZMJWXSQFMFVLIC-NSHDSACASA-N 301.415 2.991 0 40 DFAB OCCCNc1nc(N2CCCCCC2)nc2ccccc12 41150436 ZIDXTQOHFMLLAH-UHFFFAOYSA-N 300.406 2.805 0 40 DFAB COc1ccc(O)c(C(=O)NCCCN(C)c2ccccc2)c1 32899673 CRQZSFOMYRQJAX-UHFFFAOYSA-N 314.385 2.657 0 40 DFAB COc1ccc2[nH]c(C)c(C(=O)CNc3nncs3)c2c1 499590 HVEHXWMXTVUCSR-UHFFFAOYSA-N 302.359 2.631 0 40 DFAB CCN(CCc1ccncc1)CC(=O)Nc1cccc(OC)c1 9112400 OEQAACUEHYXJFE-UHFFFAOYSA-N 313.401 2.593 0 40 DFAB COc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1 9995572 DQZYFVARLIVUDU-UHFFFAOYSA-N 304.733 2.926 0 40 DFAB O=CN1[C@H]2CC[C@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 100769662 ZBEGPSITDZQFOO-BBRMVZONSA-N 322.343 2.753 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 41532449 OMNQRPFNMCAJGQ-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB Cc1cccc(C2(C(=O)NCc3cccnc3N(C)C)CC2)c1 53052728 OJRFIFXDGDYCTR-UHFFFAOYSA-N 309.413 2.804 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)N2CCCCC2)cc1 57634502 SZNFYQKLIAUXAD-AWEZNQCLSA-N 305.374 2.656 0 40 DFAB O=C(CNc1ccc(Br)cc1)NCC(F)(F)F 42206631 JIFSXKHFUMJSLB-UHFFFAOYSA-N 311.101 2.540 0 40 DFAB CC(C)CO[C@H](C)C(=O)Nc1ccccc1N1CCCC1=O 42472673 OIRNHOUUFYALMM-CYBMUJFWSA-N 304.390 2.813 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]1O2 107264851 SPILNSFRGPPHMB-IPMKNSEASA-N 322.408 2.915 0 40 DFAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccn1 24182157 WEDWZCYKLIVWBK-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB Cc1cnn(C[C@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1 105891515 OYJWBEFWKOWNEN-MRXNPFEDSA-N 305.809 2.746 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)o1 24662604 NZFCGOXVJFCLJG-JTQLQIEISA-N 307.733 2.845 0 40 DFAB CCOc1cc(F)ccc1NC(=O)NC1CCN(CC)CC1 43292295 GPGLHWJJBUSXON-UHFFFAOYSA-N 309.385 2.830 0 40 DFAB O=C(NCCC1=CCCCC1)C1CCN(c2ncccn2)CC1 1341981 CSXNRAHWUOSGLK-UHFFFAOYSA-N 314.433 2.700 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2cc(F)ccc21 55656852 JYLAYUJDIVJCFD-YGRLFVJLSA-N 322.380 2.842 0 40 DFAB COc1cccc([C@H](O)CN2CCC[C@H](c3cc(C)[nH]n3)C2)c1 107505796 YYLOOJOQDBRRTR-MAUKXSAKSA-N 315.417 2.640 0 40 DFAB CN(CCN1CCCC1)C(=O)/C=C/c1ccnc2ccccc12 71910552 DKZSIGBIMHJCBY-CMDGGOBGSA-N 309.413 2.802 0 40 DFAB Cc1ccccc1CC(=O)N(C)C[C@H]1COc2ccccc2O1 57485656 BSCADDRHLRWZLX-INIZCTEOSA-N 311.381 2.836 0 40 DFAB CCCCNC(=O)[C@H]1CS[C@@H](c2ccc(C)cc2)N1C(C)=O 27118017 YNCAGSMKIUFINX-WBVHZDCISA-N 320.458 2.874 0 40 DFAB CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 58025868 IJMLGOYGHSQGJM-SECBINFHSA-N 323.336 2.856 0 40 DFAB Cc1nc(-n2ccnc2)c2cnn(-c3cccc(Cl)c3)c2n1 58147280 HVLCNKSTRCOZBJ-UHFFFAOYSA-N 310.748 2.963 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)no1 44894313 HXGKPJHPXDEZGN-LBPRGKRZSA-N 315.373 2.829 0 40 DFAB CC[C@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)c1ccccc1 58292930 XIMXMDITHCSEQV-BBRMVZONSA-N 314.385 2.594 0 40 DFAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ccco1 58290401 BWJWXWVEVVIOSA-UHFFFAOYSA-N 318.336 2.944 0 40 DFAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(O)nn1 12779052 COFDLEVVNADJNQ-QGZVFWFLSA-N 319.364 2.896 0 40 DFAB O=C(Nc1cccc2cn[nH]c12)c1cc2ccccc2c(=O)[nH]1 25666468 NZRWXLXDEYPWSQ-UHFFFAOYSA-N 304.309 2.657 0 40 DFAB c1cnc(OC2CCCC2)c(CNc2ncnc3[nH]cnc23)c1 48375200 HIXGLKLCSOMJQZ-UHFFFAOYSA-N 310.361 2.681 0 40 DFAB CC1CCN(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)CC1 12908263 HQTGPEBOTLCBLH-ZDUSSCGKSA-N 319.380 2.672 0 40 DFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CC[C@H](O)C1 91032112 FOVRZLMTCGXONV-KRWDZBQOSA-N 324.380 2.887 0 40 DFAB C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cc2ccccc2o1 81472418 ZYTOPCICSYBTOV-SGMGOOAPSA-N 300.358 2.730 0 40 DFAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 16999214 UOPKUOJZTXAATN-GFCCVEGCSA-N 302.374 2.856 0 40 DFAB CSCC[C@@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O 4192959 RKJHURMMGACICH-SECBINFHSA-N 323.443 2.798 0 40 DFAB O=C(NCc1ccc(OC2CCCCC2)nc1)c1cnccn1 69372433 WWBOASWAMHBMSM-UHFFFAOYSA-N 312.373 2.513 0 40 DFAB COc1ccc(-c2nnc(S[C@@H](C)C(C)=O)o2)cc1OC 8316405 FQAFWEXYLAUOOV-VIFPVBQESA-N 308.359 2.823 0 40 DFAB Cc1nnc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)o1 65487710 BLBZEVLAEMISLP-NSHDSACASA-N 322.434 2.706 0 40 DFAB CCCNC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 65518527 SEVQSJVNDFNPAJ-UHFFFAOYSA-N 303.362 2.602 0 40 DFAB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1C(C)C 6486147 NOTMUJRTEWMQSK-UHFFFAOYSA-N 301.346 2.516 0 40 DFAB O=C(CCn1nc(-c2ccccc2)oc1=O)Nc1ccccc1 69567676 DRLZHBAVJKAOOX-UHFFFAOYSA-N 309.325 2.532 0 40 DFAB C[C@]1(c2ccco2)NC(=O)N(Cc2cccc(F)c2F)C1=O 8546665 FBVLZZOWRLYAMY-OAHLLOKOSA-N 306.268 2.525 0 40 DFAB COc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 14728437 FCXRFTLSXMRXTM-GFCCVEGCSA-N 302.282 2.519 0 40 DFAB biogenic,in-vitro O=S1(=O)CCCN(Cc2cc3ccccc3nc2Cl)CC1 69670280 GOVHFHDDYPJNNO-UHFFFAOYSA-N 324.833 2.509 0 40 DFAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 408728449 MOHNYWCKYNVQAZ-WRFANHODSA-N 317.772 2.871 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2)cc1C 67197453 ARGCECUSLRGWHL-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCC[C@H](O)C1 69880048 INQLHIIPDPAOAL-AWEZNQCLSA-N 321.396 2.805 0 40 DFAB CC(C)Oc1cccc(CNC(=O)NC2(CO)CCCC2)c1 89890891 HNKFIPNSIKTSGT-UHFFFAOYSA-N 306.406 2.578 0 40 DFAB C[C@@H](CNC(=O)N(C)[C@H](C)c1ccco1)CC1(C)OCCO1 89895129 OKAPPNBMSFDTBT-CHWSQXEVSA-N 310.394 2.771 0 40 DFAB Cc1noc(C)c1NC(=O)NCc1ccc(N2CCCC2)nc1 71799537 WZEPDUWSWYZKPB-UHFFFAOYSA-N 315.377 2.608 0 40 DFAB CCn1cc(C(=O)NCc2ccc(F)cc2CSC)cn1 96461605 URROCNVJFBXLPX-UHFFFAOYSA-N 307.394 2.835 0 40 DFAB O=C(NCCCc1cccc(Br)c1)[C@@H]1CCOC1 71888908 VPOJVHPEGFGFDM-GFCCVEGCSA-N 312.207 2.534 0 40 DFAB C[C@@](O)(CNC(=O)C[C@H]1CCCCO1)c1ccccc1Cl 97143429 GGYLXSGAQCHJDF-MLGOLLRUSA-N 311.809 2.623 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OC)cc1 89948929 JCVOWRVHALFABM-QAPCUYQASA-N 316.445 2.822 0 40 DFAB Cc1cc(N2CCC(NC(C3CC3)C3CC3)CC2)nc(C)n1 95423616 DXCXVYPFBCZLJK-UHFFFAOYSA-N 300.450 2.840 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(C)(C)C 95964241 ALTJTWSGASZZOW-DZGCQCFKSA-N 323.458 2.633 0 40 DFAB C[C@@H](Cc1ccc(Br)cc1F)N[C@H]1CCOC1 95967843 BARVRJBDFHTCCF-CABZTGNLSA-N 302.187 2.898 0 40 DFAB O=C(NCCCC(=O)N1CCSC2(CCCCC2)C1)C1CC1 79024981 ZVWPJNCRYGRPJP-UHFFFAOYSA-N 324.490 2.571 0 40 DFAB CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccccc1F 89310237 UFONBSJOJHSKIL-HNNXBMFYSA-N 323.389 2.570 0 40 DFAB C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 89420144 BDNIDANCTZWQOH-ODRPYRSTSA-N 315.417 2.528 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(CCOc2cccc(Cl)c2)C1=O 23657025 ZFNNDHMUIVVURD-ZDUSSCGKSA-N 310.781 2.685 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Oc1ccccc1 409001087 GPQJCZBOBJIDBH-ZFWWWQNUSA-N 304.390 2.860 0 40 DFAB C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C[C@H]1C[C@H](O)CC[C@]31C 31439934 VFPMCLQMAUVEHD-SOWWQRNPSA-N 306.446 2.930 0 40 DFAB COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cn2)c1 79029266 KTPSCEIFIWZQOU-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc1 72392556 NJZNQCLFKMDEIQ-SCTDSRPQSA-N 309.413 2.515 0 40 DFAB Cc1ccc(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 182832950 YJSRFBXXSYHYEF-MRXNPFEDSA-N 313.405 2.592 0 40 DFAB C[C@H]1CN(C(=O)c2cc(F)cc3nccnc23)c2cccnc2O1 189057319 AYAJCJFWZFATSC-JTQLQIEISA-N 324.315 2.592 0 40 DFAB O=c1[nH]c(CNc2ccccc2)nn1Cc1ccc(Cl)cc1 36559146 CYQRZWOQNXJAOB-UHFFFAOYSA-N 314.776 2.885 0 40 DFAB Cc1cnn(CCC(=O)N[C@H](C)c2nc3c(s2)CCCC3)c1 78912673 YZBYKRUUMRRLFZ-GFCCVEGCSA-N 318.446 2.794 0 40 DFAB O=C(Cc1ccccc1F)N1CCCC[C@H]1C1CCNCC1 72343451 BRUPQZFSBBKPDM-KRWDZBQOSA-N 304.409 2.749 0 40 DFAB Nc1nc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cs1 72368687 BEEHUPMOLOPSML-CYBMUJFWSA-N 301.415 2.674 0 40 DFAB CCN(C)C(=O)CN[C@H](C)c1ccc(Br)cc1F 188489150 OYDFICHLSFWKCM-SECBINFHSA-N 317.202 2.717 0 40 DFAB Cc1cnc(CCNC(=O)N2CC3(CCCC3)[C@H]2C(C)C)nc1 562664538 JPPPVVKOWNUQNH-MRXNPFEDSA-N 316.449 2.938 0 40 DFAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC(C)C)n1 225892652 CYKYAHHRNCROJN-UHFFFAOYSA-N 307.467 2.718 0 40 DFAB COC[C@@H](C)NC(=O)c1snnc1-c1ccc(Cl)cc1 225772095 SDKZFZKOPYCEGP-MRVPVSSYSA-N 311.794 2.623 0 40 DFAB CN(Cc1ccco1)C(=O)[C@]1(C)Sc2ccccc2NC1=O 40773843 YRGDOGHLYQTDEQ-MRXNPFEDSA-N 316.382 2.741 0 40 DFAB Oc1nnc(C2CCN(c3nc(C4CCCC4)ns3)CC2)o1 576142608 TYLHFZKWCWOQIB-UHFFFAOYSA-N 321.406 2.668 0 40 DFAB C[C@H]1CN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C[C@@H](C)O1 95532664 NXZJLWYLJHLXEE-FIDHJVLJSA-N 313.482 2.688 0 40 DFAB CC[C@@](Br)([C@@H](O)c1ccc(C)cc1)S(C)(=O)=O 96521522 QVLVMBXOODNBIB-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)N[C@H](C)c2ccco2)cc1 95449771 VBESNWNGNRALSY-IUODEOHRSA-N 318.373 2.724 0 40 DFAB O=S1(=O)CCC[C@H]1CNCc1ccc(SC(F)F)cc1 96500759 YRDTWTXQWYNZAX-LBPRGKRZSA-N 321.414 2.668 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1F 96423565 ZDSVQLSPVAZQGX-HUUCEWRRSA-N 320.383 2.811 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)Cc1cccc(O)c1 96440993 UNQGBCCQTLSLEV-NSHDSACASA-N 303.333 2.960 0 40 DFAB O=C(Cc1ccco1)N1C[C@H]2CCC[C@@]2(COCC2CC2)C1 96109186 SOTXXQNBGJOOQW-QAPCUYQASA-N 303.402 2.877 0 40 DFAB Cc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2=O)n1 96048824 UMAOJGQYGDLRIA-IBGZPJMESA-N 313.445 2.615 0 40 DFAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@H]1c1ccccc1 257285551 PHRSNAAKVQEKBE-KRWDZBQOSA-N 315.442 2.857 0 40 DFAB C[C@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 253567505 KCXFBPJKYGOGIF-RWSFTLGLSA-N 322.355 2.575 0 40 DFAB O=C(/C=C/c1ccccc1)N1CC[C@H](Oc2nccs2)C1 253402666 ONAXDTCPFXMGSE-UZYOAWRESA-N 300.383 2.836 0 40 DFAB COc1cccc(NC(=O)CCCSc2cnn(C)c2)c1 257173631 SWTRWCBDMFMDPF-UHFFFAOYSA-N 305.403 2.940 0 40 DFAB COc1ccccc1[C@H](CNC(=O)NCc1ccccc1)OC 96385306 PDGLSZQPKUVBHT-KRWDZBQOSA-N 314.385 2.882 0 40 DFAB O=C(N[C@@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1cccs1 585110256 QDIXMZXCHUGRIQ-RRFJBIMHSA-N 313.426 2.536 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@H](c2ccncc2)C1 1084568189 YPUMKCBKBCOFMP-SFHVURJKSA-N 321.380 2.706 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCC[C@H](n2ccnc2)C1 69662135 SFHVZSWRGSWHQI-LBPRGKRZSA-N 302.403 2.694 0 40 DFAB C[C@@H](NC(=O)CCc1cnn(C)c1)c1nc(-c2ccccc2)c[nH]1 65512665 MNPXSZSTRNFZEI-CYBMUJFWSA-N 323.400 2.620 0 40 DFAB CCN(C(=O)Cc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 95940483 RRIDMNCSXSLWNT-LJQANCHMSA-N 323.440 2.747 0 40 DFAB CCC[C@@H]1CN(C(=O)c2ccnnc2)CCN1Cc1ccccc1 97034086 DZGAHTHXLLFHDD-GOSISDBHSA-N 324.428 2.603 0 40 DFAB C[C@H](OC(=O)c1cccc(F)c1)c1nc2ccccc2c(=O)[nH]1 5357945 ZDWWBXZRNPGCAK-JTQLQIEISA-N 312.300 2.980 0 40 DFAB Cc1oc(C2CC2)cc1C(=O)N1CCn2c(nnc2C2CC2)C1 12158706 YDXLDEQNYDLPAT-UHFFFAOYSA-N 312.373 2.590 0 40 DFAB COc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c1 12566083 IRXUTZAWQJHSRY-UHFFFAOYSA-N 324.336 2.878 0 40 DFAB CO[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccco1 206860507 YMPALRHXTYJTBA-CQSZACIVSA-N 309.749 2.816 0 40 DFAB O=C(O)/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1cc(F)ccc1-2 1688054 RDYCKZHXTUXBGI-AATRIKPKSA-N 311.268 2.616 0 40 DFAB in-vitro Cc1ccc(OC[C@H]2CCN(c3nc4ccccc4n3C)C2)nn1 1888879056 ITBBFPGGDQQSTG-AWEZNQCLSA-N 323.400 2.577 0 40 DFAB O=C(Nc1ccc2c(c1)CCO2)c1cccnc1N1CCCC1 27127523 VARMCWOZIYUTRT-UHFFFAOYSA-N 309.369 2.869 0 40 DFAB Cc1ccc2nc(SCc3ccc(F)cc3)nc(=O)n2c1 4503678 BVLCWMBLUDEDNN-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2cccnc21 5303615 HOHLWIRTKZVGLK-UHFFFAOYSA-N 313.744 2.839 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccco2)o1 1775966323 YCOGPGOCSSFCLT-NSHDSACASA-N 316.313 2.608 0 40 DFAB Cn1cc(-c2cc(CNC(=O)Nc3cccs3)ccn2)cn1 575617485 CVGCJRPUTHLNKI-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB CCCCSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 2298137269 KGCHEBPQQNRTHQ-UHFFFAOYSA-N 318.377 2.912 0 40 DFAB Cc1cc(C)nc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 248080 IGDOSTPSISAKFD-UHFFFAOYSA-N 323.352 2.508 0 40 DFAB O=c1oc2cccnc2c(=O)n1Cc1ccc(Cl)cc1Cl 20031646 IZISSHPDNHYWBJ-UHFFFAOYSA-N 323.135 2.705 0 40 DFAB COCCOc1ccc(CNC(=O)NCc2ccccc2)cc1 31097666 CWZNNYVFYLXHSE-UHFFFAOYSA-N 314.385 2.711 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1ccccc1 1379722 RGIHTZFEDMYHIH-HNNXBMFYSA-N 313.357 2.592 0 40 DFAB CCCCOc1ccc(C(CC(=O)O)CC(=O)O)cc1OC 1686407 ILEGYMYRGFSGIX-UHFFFAOYSA-N 310.346 2.907 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CCO1 11497504 OHXQTHPNRXWPBB-AWEZNQCLSA-N 321.380 2.886 0 40 DFAB Cc1c(Br)cnn1[C@H](C)C(=O)Nc1nccs1 2780613 BNMJOZOVVBKFEP-SSDOTTSWSA-N 315.196 2.610 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451352 KELMSVORRQFRKS-QMTHXVAHSA-N 324.808 2.774 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 258407 SKYUPOSNMUVLGF-UHFFFAOYSA-N 323.345 2.739 0 40 DFAB COc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C32CC2)c1 4379882 LYJUWOLHXJASTH-BARDWOONSA-N 313.353 2.547 0 40 DFAB COc1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1 4861558 DRHOCQZKFXUCQR-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB CC1CCN(C[C@@H](O)Cn2cc(C=O)c3ccccc32)CC1 6650007 IXTQJLVJGYXYNK-MRXNPFEDSA-N 300.402 2.547 0 40 DFAB Cc1cccc(-c2nc(CSc3nnnn3C3CC3)no2)c1 32330105 VVJDESMCFWXKJK-UHFFFAOYSA-N 314.374 2.659 0 40 DFAB O=C(CCc1cccnc1)NC1CCN(Cc2ccccc2)CC1 20903663 FYYZKOVUSUEFHD-UHFFFAOYSA-N 323.440 2.795 0 40 DFAB Cc1cccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 32760530 NBUJZZCXHDTHLW-UHFFFAOYSA-N 315.316 2.891 0 40 DFAB COc1cccc(CC(=O)NCCCN(C)c2ccccc2)c1 32721277 SATGINUSKUPRFW-UHFFFAOYSA-N 312.413 2.880 0 40 DFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccccc1 32765110 NACWLWFZKRVCIG-UHFFFAOYSA-N 310.353 2.831 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)no1 52355881 RTUMWDASMZXAMR-AWEZNQCLSA-N 302.378 2.912 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 8746108 ZNRGCFCMBSOUFC-UHFFFAOYSA-N 323.352 2.782 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(C)no2)c1 27279842 QUXYMOAHISFBIS-AWEZNQCLSA-N 303.362 2.732 0 40 DFAB Cc1c(F)cccc1CN1CCC2(CCCN(C)C2=O)CC1 108533345 HHLCNUQDEHFROL-UHFFFAOYSA-N 304.409 2.969 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)c1nc(-c2ccco2)no1 29740285 XWUHYBVJEVJMIV-ZETCQYMHSA-N 304.335 2.504 0 40 DFAB Cc1c(C(=O)Nc2ccccc2)cnc2nc(C(F)(F)F)nn12 10338694 VDCYJGDBCUMWPN-UHFFFAOYSA-N 321.262 2.704 0 40 DFAB C[C@H](O)c1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 100259754 XEAFACLEGDPVEF-UZCIPKQKSA-N 317.385 2.800 0 40 DFAB Nc1nc(Cl)cc(NCCOc2ccc3c(c2)CCC3)n1 54837701 LZRKYHYMBWHCEX-UHFFFAOYSA-N 304.781 2.692 0 40 DFAB O=C1[C@@H](Sc2ncc3ccccn23)CCN1CC(F)(F)F 109716325 XTGCHSGHJLYJGF-JTQLQIEISA-N 315.320 2.590 0 40 DFAB O=C1c2ccccc2NC2(CCSCC2)N1C[C@H]1CCCO1 25693705 DNLPSFIELXALJR-CYBMUJFWSA-N 318.442 2.957 0 40 DFAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccccc1F 21821258 ZBOBAAKBGHKKHM-UHFFFAOYSA-N 324.329 2.770 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 58159324 CJEGRFVGHSKPCU-ZFWWWQNUSA-N 304.459 2.661 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 44869096 IOCSYGCWODHVLH-CQSZACIVSA-N 307.365 2.560 0 40 DFAB COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C)N2CCCC2)cc1 22515990 LKSWKIDHUNZFDW-IAOVAPTHSA-N 302.418 2.604 0 40 DFAB CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 58392767 QUSUNZGMDQSZGU-INIZCTEOSA-N 316.445 2.773 0 40 DFAB O=C(c1cc(F)cc(F)c1)N1CCN(Cc2ccccc2)CC1 28210531 OCHMQWVWZGAFAE-UHFFFAOYSA-N 316.351 2.923 0 40 DFAB O=S(=O)(N[C@@H]1CCc2ccccc21)c1cc(F)cc(F)c1 10753105 XKIHQZGHVWXQHO-OAHLLOKOSA-N 309.337 2.931 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3273050 JTHKXJDMXGFXMU-WMLDXEAASA-N 315.413 2.667 0 40 DFAB Cc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)no1 3334905 OOQLLGVSAVNLCH-UHFFFAOYSA-N 302.330 2.714 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)C(C)C 12766799 GTQKIBBSSPMSHX-CYBMUJFWSA-N 309.435 2.511 0 40 DFAB Cc1cc(CNC(=O)Cc2ccc(Br)cc2)on1 48356099 LITDOIMXHKKNSP-UHFFFAOYSA-N 309.163 2.604 0 40 DFAB Cc1cnc(NC(=O)CCNC(=O)/C=C/c2ccccc2)s1 12890666 SRSKEDCEXPYBAI-BQYQJAHWSA-N 315.398 2.610 0 40 DFAB CS(=O)(=O)Cc1cccc(C(=O)NCCC2=CCCCC2)c1 12900157 YQCFMDTWFSDWHL-UHFFFAOYSA-N 321.442 2.852 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 13170234 FRULZCMYOCODQH-VIFPVBQESA-N 301.264 2.642 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)cn1 69625555 ZSDVHHSAXDIZJV-KRWDZBQOSA-N 322.412 2.818 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)cn1 69625552 ZSDVHHSAXDIZJV-QGZVFWFLSA-N 322.412 2.818 0 40 DFAB O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(F)c1 69777683 KFYSNIBIYCPVCO-GQCTYLIASA-N 316.332 2.907 0 40 DFAB C[C@@H](c1ccccc1)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 69840938 RPXWKNRULVQEKC-WCQYABFASA-N 300.324 2.843 0 40 DFAB Cc1sc2ncnc(N(C)CC(=O)NC(C)(C)C)c2c1C 18057979 KHDZAJYUZYSGEC-UHFFFAOYSA-N 306.435 2.659 0 40 DFAB O=C(CCCc1ccccn1)N1CCCC[C@H]1Cn1cccn1 69970178 SYBUTSIOGUUOAK-KRWDZBQOSA-N 312.417 2.682 0 40 DFAB CCOc1ccc(NC(=O)NCCN(C)C2CC2)cc1OCC 69982571 LWBOCXLFUAAOII-UHFFFAOYSA-N 321.421 2.700 0 40 DFAB Cc1c(NC(=O)CCc2ccsc2)cccc1-n1cnnn1 14241149 RSQSTOYFIOVJOG-UHFFFAOYSA-N 313.386 2.604 0 40 DFAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(CC)cc2)CC1 6709239 WVHMJTCSRYIXDD-UHFFFAOYSA-N 319.405 2.991 0 40 DFAB O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 6750555 GGBQRFLREPFGBG-KRWDZBQOSA-N 321.380 2.538 0 40 DFAB O=c1c(Cl)c(NC2CCC(O)CC2)cnn1-c1ccccc1 15208730 HFCPLLMVULHIQP-UHFFFAOYSA-N 319.792 2.601 0 40 DFAB Cc1ncc([C@@H](C)NCCOc2ccc3c(c2)OCO3)s1 90404190 YGTSGBASNMCQHR-SNVBAGLBSA-N 306.387 2.910 0 40 DFAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1F 8992766 SKNVJKOYVKODPO-MRVPVSSYSA-N 317.349 2.611 0 40 DFAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 9338373 YMDYODKHASXQDU-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)CCSC)cc1 96431161 VNIZKPHNCLVSNM-LLVKDONJSA-N 319.430 2.957 0 40 DFAB c1cncc(COc2ccc(CNCCn3cccn3)cc2)c1 71819653 CEACUHMYRZEFTB-UHFFFAOYSA-N 308.385 2.647 0 40 DFAB CCCNC1(Cc2cc(COc3ccccc3)on2)COC1 67898185 UVVLYRSDKVYRCX-UHFFFAOYSA-N 302.374 2.565 0 40 DFAB biogenic,in-vitro Cc1nc2n(n1)[C@H](c1cccc3ccccc13)C=C(C(=O)O)N2 19962529 NGMYRFAMXYBALC-HNNXBMFYSA-N 306.325 2.723 0 40 DFAB CS[C@H](C)CC(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 89894561 UYHWKSRHODSKFY-OLZOCXBDSA-N 309.431 2.718 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)no1 89997019 WRNDJSOUXLOGDJ-UKRRQHHQSA-N 319.792 2.812 0 40 DFAB C[C@H]1NCCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94598792 OHQZDXVJYZMPDH-KCJUWKMLSA-N 304.287 2.715 0 40 DFAB Cc1cc([C@@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)n[nH]1 84111432 PFORYUJUJUKZMP-CYBMUJFWSA-N 301.394 2.748 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)on1 72295618 DKSKXXXCUJKSRB-NWDGAFQWSA-N 302.378 2.931 0 40 DFAB CCCCc1ccc(NC(=O)NCCCS(C)(=O)=O)cc1 72281282 JAWKOKAJRDQHQG-UHFFFAOYSA-N 312.435 2.585 0 40 DFAB CC1(C)C[C@@H](NCc2nc(-c3cccnc3)no2)C(C)(C)O1 97100375 ZZDHZJPSWDDKGQ-GFCCVEGCSA-N 302.378 2.567 0 40 DFAB Cc1nc([C@@H]2CCCN2)ncc1C(=O)Nc1ccc(F)cc1 72343609 RQRHUAKMJLSFFD-AWEZNQCLSA-N 300.337 2.601 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1C[C@H]1c1ccco1 84374332 GRULGUCOWHGCCU-ZIAGYGMSSA-N 312.325 2.978 0 40 DFAB CCSc1ccc(C(=O)NCc2cccc(C(N)=O)c2)cc1 97232542 QFXIIAWTUGJCQK-UHFFFAOYSA-N 314.410 2.828 0 40 DFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccsc2)cc1 76082574 RGPIGBWZSUXHBM-UHFFFAOYSA-N 310.400 2.897 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)CCOc2ccc(F)cc2)cc1 97600706 GRIYTKIBVVDHJU-UHFFFAOYSA-N 323.389 2.979 0 40 DFAB O=C(NCc1ccco1)N1CC(Oc2ccccc2Cl)C1 95457586 WQCNVZCMYHQNRU-UHFFFAOYSA-N 306.749 2.906 0 40 DFAB C[C@@H](CC(=O)N1CCCCCC1)NC[C@@](C)(O)c1ccccc1 95422473 ZGOUAKBWPZTBQI-QFBILLFUSA-N 318.461 2.665 0 40 DFAB COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccnc(F)c2)cc1 95458896 RGQTUCONVLLPFZ-BDJLRTHQSA-N 318.348 2.735 0 40 DFAB CCCc1onc(C)c1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)OC 84758804 RWDXQHJRLAEFDL-CHWSQXEVSA-N 322.405 2.787 0 40 DFAB CC(C)n1c(CCNC(=O)C2C(C)(C)C2(C)C)n[nH]c1=S 73497189 FUXFNSRRAGTMGG-UHFFFAOYSA-N 310.467 2.862 0 40 DFAB C[C@]1(NS(=O)(=O)CC[C@H]2CCCO2)CCCc2ccccc21 95966101 PBNFELRDPATHNQ-WBVHZDCISA-N 323.458 2.727 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)O)cccc1[N+](=O)[O-] 95964687 AKGAXROBZLEVRC-CHWSQXEVSA-N 320.345 2.667 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)[C@H](c1ccccc1)N(C)C 95956443 WIUWAEUKQBTERJ-INIZCTEOSA-N 301.390 2.553 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@H]2C(C)(C)O)c(N(C)C)c1 95939448 UMEMYKOLSGPMHE-INIZCTEOSA-N 319.449 2.506 0 40 DFAB O=C(CCc1ccc(O)nc1)N1CCC(c2ccncc2)CC1 555624473 IOHJWSPUOJUMQL-UHFFFAOYSA-N 311.385 2.521 0 40 DFAB CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)NC1=S 409086589 FLYSACCKLXFEQE-FLIBITNWSA-N 310.806 2.816 0 40 DFAB COC(=O)c1cc(I)cn1C1CCCC1 217654555 LPAIUUGKIPXAIT-UHFFFAOYSA-N 319.142 2.994 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc2nccnc2c1 71279161 JHLUEOQQVPDELL-LLVKDONJSA-N 323.356 2.824 0 40 DFAB Cc1csc(Nc2cccc([C@@H]3CCCN3CCO)n2)n1 72380436 VLTSJDWUUGVGHU-ZDUSSCGKSA-N 304.419 2.719 0 40 DFAB CCN(Cc1nnc(C)o1)CC1CCN(c2ccccn2)CC1 76108461 DOAFFACAAGCSIR-UHFFFAOYSA-N 315.421 2.512 0 40 DFAB Cc1ccccc1N1C[C@H](C(=O)NCc2ccccc2)CC1=O 39918118 NVNSYKNRZDBJLD-MRXNPFEDSA-N 308.381 2.664 0 40 DFAB COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2N)cc1F 71790511 QDYHKYUYQAKZIN-TZMCWYRMSA-N 324.396 2.886 0 40 DFAB COc1ccc2cc(NC(=O)[C@H](C)n3nccc3C)cnc2c1 72247523 FMEQKEMSPKKFBN-LBPRGKRZSA-N 310.357 2.948 0 40 DFAB CC(=O)N1CCCC[C@H]1c1ccnc(Nc2nccs2)n1 72377493 IBPSPKVGXFQOOI-LBPRGKRZSA-N 303.391 2.750 0 40 DFAB COc1cc(N2CCCCC2)nc(NC(=S)NC(C)(C)C)n1 225893628 LUCARODOENJGBX-UHFFFAOYSA-N 323.466 2.560 0 40 DFAB C[C@H](CNC(=O)c1conc1C(C)(C)N)c1ccc(F)cc1 568235300 LJLBNRHUDDEMAZ-SNVBAGLBSA-N 305.353 2.541 0 40 DFAB CCCNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 48670020 WEDMMHATPPMZGS-UHFFFAOYSA-N 312.369 2.730 0 40 DFAB Cc1cc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)no1 226750498 RCXHIALKPNQDLE-LLVKDONJSA-N 306.293 2.709 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nc(C(C)C)no2)C1 194882138 JUVBZHJTZUZNLH-INIZCTEOSA-N 309.410 2.604 0 40 DFAB CCn1cc(OCc2nnc(-c3ccccc3OC)o2)cn1 193551592 MUITZFLCZIISHW-UHFFFAOYSA-N 300.318 2.541 0 40 DFAB O=C(O)Cc1cccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)c1 571625674 RBGZTYXTDSFSCI-GFCCVEGCSA-N 316.279 2.776 0 40 DFAB Cc1ccc(CNC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225748471 QNDAASATJOVRTD-UHFFFAOYSA-N 324.355 2.765 0 40 DFAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44948845 QOQYDVZLMIMIFK-ZDUSSCGKSA-N 324.446 2.589 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C 224515044 PNBZSMBMMKYKAB-OAHLLOKOSA-N 304.434 2.628 0 40 DFAB O=C(c1cnn2c1CCCC2)N1CCC[C@@H](c2ccncc2)C1 576975362 OLIZKBOKQXVSCU-OAHLLOKOSA-N 310.401 2.634 0 40 DFAB CCS(=O)(=O)N(C)C1CCN([C@H](C)c2cccc(C)c2)CC1 96443336 XMYIXGWOJQFNEQ-OAHLLOKOSA-N 324.490 2.802 0 40 DFAB Cc1ccccc1C(=O)NCCc1cccc(C(=O)N(C)C)c1 96423151 HADSCPIBTCTUSB-UHFFFAOYSA-N 310.397 2.669 0 40 DFAB Cc1nn(C)c2sc(C(=O)O[C@H]3[C@H]4CCO[C@@H]4C3(C)C)cc12 96416274 XWCHMDVLSKEDAX-XDTLVQLUSA-N 320.414 2.914 0 40 DFAB CN(C)C1(CN[C@H]2CSCCc3ccccc32)CCOCC1 96477655 VASUTBQQIBPGEL-KRWDZBQOSA-N 320.502 2.717 0 40 DFAB CCOc1cccc([C@H](C)NCC2CCS(=O)(=O)CC2)c1 90882964 INKSBJDFUYJERB-ZDUSSCGKSA-N 311.447 2.561 0 40 DFAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 98077589 RZCWYWBQORIHLB-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB OC[C@H]1CCCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 97236286 KEDSNRCFWQDXGS-HIFRSBDPSA-N 322.415 2.934 0 40 DFAB Cc1cnc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1C 96486677 GUPUUJAQESMDTH-QGZVFWFLSA-N 324.428 2.597 0 40 DFAB C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1CC1CCCCC1 248000728 NRFRANJYZLFELC-CYBMUJFWSA-N 304.438 2.542 0 40 DFAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2nccs2)C3)c1 248027205 KSVKXYXLWSOJBO-ZDUSSCGKSA-N 319.455 2.677 0 40 DFAB CC(=O)N1CCCC[C@@H]2CN(C(=O)c3cccs3)CC[C@H]21 257339965 ZDYBNJWJQZMQQF-ZIAGYGMSSA-N 306.431 2.611 0 40 DFAB Cc1cncc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257255331 KHBHKWNIWSWFPH-OAHLLOKOSA-N 309.435 2.584 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)cs1 257313635 UTLCXWNGYKDGQG-ZDUSSCGKSA-N 318.446 2.507 0 40 DFAB CN1CCN(C2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 257308672 TXQYQZMXCSJQRT-INIZCTEOSA-N 324.472 2.979 0 40 DFAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC(C)C)n1 260732748 APYALBQBGCAKOP-LLVKDONJSA-N 323.466 2.559 0 40 DFAB C[C@H](N)CCc1ccc(-c2cc3c(cc2CO)OCCO3)cc1 585124245 PKSDNRCKLTUCPJ-ZDUSSCGKSA-N 313.397 2.897 0 40 DFAB COc1ccc(OC)c(CN(C(=O)[C@@H](C)SC)C2CC2)c1 43030616 DLOSWOYUJLBSMC-LLVKDONJSA-N 309.431 2.946 0 40 DFAB Oc1cc(I)cc(N=c2cc[nH]cc2)c1 685937205 CMJFJYUAUUIUBB-UHFFFAOYSA-N 312.110 2.557 0 40 DFAB O[C@@H](COCc1ccc(Cl)cc1)CSc1nncs1 65590998 QBGNRIAFBBUHGY-NSHDSACASA-N 316.835 2.861 0 40 DFAB Cc1noc(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)n1 66716436 ILVQWYFSFBOYDI-RYUDHWBXSA-N 305.403 2.600 0 40 DFAB CCNc1ncc(C(=O)N(C)Cc2cnc(CC)s2)s1 89296007 CHGFESJPCPPNIC-UHFFFAOYSA-N 310.448 2.866 0 40 DFAB Cc1ncsc1CN1CC[C@H](O)[C@H](Cc2ccccc2)C1 1615191999 OUZPDJDNQGZOCB-CVEARBPZSA-N 302.443 2.877 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 16045871 MCPMPUGIGMFBHH-UHFFFAOYSA-N 321.336 2.739 0 40 DFAB CC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 16093361 VKPAIYXRSCEINW-UHFFFAOYSA-N 318.236 2.870 0 40 DFAB CC(C)N(C(=O)Cn1nc(-c2cccs2)ccc1=O)C(C)C 19447591 FBBYVZGRPQQNNE-UHFFFAOYSA-N 319.430 2.617 0 40 DFAB COc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1 19555003 LTLWYXBYQZRISI-UHFFFAOYSA-N 323.400 2.741 0 40 DFAB CCOC(=O)CCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 204752610 FXYWLMOQBLEBLU-HUUCEWRRSA-N 305.418 2.792 0 40 DFAB Cn1ccc(CN2CCC(Oc3cncc(Cl)c3)CC2)n1 521267321 OSAMTXVSIPXJGH-UHFFFAOYSA-N 306.797 2.512 0 40 DFAB COc1ccc(-n2ncc3c(=O)n(CC=C(C)C)cnc32)cc1 2087022439 HNGKQZMFGMMMGS-UHFFFAOYSA-N 310.357 2.557 0 40 DFAB Cc1cc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)no1 4511651 NMISJWKKLVDRFN-UHFFFAOYSA-N 317.736 2.778 0 40 DFAB CCCc1nnc2sc(-c3ccc(OC)cc3)cc(=O)n12 4786642 HIMPPSANJQFUHI-UHFFFAOYSA-N 301.371 2.779 0 40 DFAB CC(C)(C)OC(=O)NCc1cn(Cc2cc(F)ccc2F)nn1 881197000 LZQSNSCIVPTKTO-UHFFFAOYSA-N 324.331 2.629 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3ccc(C)o3)ccc21 40475442 OBWGECGECCEGJU-LBPRGKRZSA-N 312.369 2.988 0 40 DFAB Cc1cc(C)c(CNC(=O)CCc2ccc(Cl)s2)c(=O)[nH]1 75117730 AEBNPWRPBCUIEC-UHFFFAOYSA-N 324.833 2.956 0 40 DFAB CCC1=NN(C(=O)c2cccc(O)c2C)[C@](O)(C(F)(F)F)C1 269941 QDUCVOGACGOPLH-CYBMUJFWSA-N 316.279 2.563 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)c1ccccc1F 28914911 IABJPTGMQQZEST-AWEZNQCLSA-N 318.279 2.515 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 40501520 DPYDNAUVYYMXDB-NSHDSACASA-N 315.211 2.808 0 40 DFAB CC(=O)Nc1cc(OC(C)=O)c(OC(C)=O)c2ccccc12 1593873 MSHMFGASJKZGSJ-UHFFFAOYSA-N 301.298 2.649 0 40 DFAB OC(C[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1 1666333 ARGDMLRAZHXTTO-UHFFFAOYSA-N 316.404 2.629 0 40 DFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC(C)C 4853525 XVTAMDSNJMEKGI-UHFFFAOYSA-N 316.357 2.505 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)CSc1nncs1 11577991 UGCAVYSZOKFWNZ-UHFFFAOYSA-N 321.427 2.618 0 40 DFAB CCCN(C)c1ccc(C(=O)Nc2c(C)ccn(C)c2=O)cc1 75108834 JIDOSOYXLBVGMK-UHFFFAOYSA-N 313.401 2.792 0 40 DFAB Cc1ccn2c(=O)cc(CN(C)Cc3ccc(F)cc3)nc2c1 7015309 OAIQMFOEKDXOIF-UHFFFAOYSA-N 311.360 2.774 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 300239 MNLBFFYRMLNQFQ-LLVKDONJSA-N 316.307 2.956 0 40 DFAB O=C1[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1ccccc1 107742895 LSJMUAGSARVWMQ-MAUKXSAKSA-N 310.372 2.921 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NC[C@H](c1ccco1)N(C)C 32914090 SKTJKESSJNGYEP-GDBMZVCRSA-N 316.401 2.604 0 40 DFAB COc1ccc(CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1 21803778 RLYYRLOWAMVNSD-CYBMUJFWSA-N 324.380 2.859 0 40 DFAB CC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 20312948 NGSUCMWKMDJJHV-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)NC(C)C 528817 IJZOWYWDQOZLMN-UHFFFAOYSA-N 319.361 2.883 0 40 DFAB CC1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 53558556 RPQNMUMPYNWLJX-UHFFFAOYSA-N 300.406 2.868 0 40 DFAB CS(=O)(=O)c1ccc(-c2noc([C@H]3CC=CCC3)n2)cc1 109608875 KTRHNGTYQYXUSA-LBPRGKRZSA-N 304.371 2.964 0 40 DFAB CNC(=O)NC(=O)CCSCc1cccc(C(F)(F)F)c1 57985906 SPZUPSIMGFYFPY-UHFFFAOYSA-N 320.336 2.784 0 40 DFAB O=C(NCCc1cccnc1)c1ccc(N2CCCCC2=O)cc1 23875123 YEKWVWFXIHHWAM-UHFFFAOYSA-N 323.396 2.571 0 40 DFAB CN(C)[C@@H](CNC(=O)Nc1nccs1)c1cccc(F)c1 42811396 CRZHFTVVBLJXQS-LBPRGKRZSA-N 308.382 2.707 0 40 DFAB CC(C)(C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24792069 ZCVQFYAERIMCMT-UHFFFAOYSA-N 300.406 2.549 0 40 DFAB Cc1cc2nn(CN3CCOCC3)c(=S)n2c2ccccc12 25266421 GSLAREYWFLETIJ-UHFFFAOYSA-N 314.414 2.617 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NCC3CCC3)CC2=O)c1C 26142431 BUXCVFQNWAYXLY-OAHLLOKOSA-N 300.402 2.573 0 40 DFAB O=C(NCCO)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 57420960 RYQHPSYTWQZRAD-HNNXBMFYSA-N 322.767 2.860 0 40 DFAB COC(=O)c1cc(CNC(=O)N[C@@H](C)c2cccs2)oc1C 47978121 IIWCOEYDPKFBOX-VIFPVBQESA-N 322.386 2.997 0 40 DFAB CCCc1noc([C@@H](C)N2CCN(c3ccccc3)CC2)n1 44583667 QPSKXKDEWHJUPO-CQSZACIVSA-N 300.406 2.905 0 40 DFAB COc1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1OC 62001606 KKIIZKHKYNCWEI-MJGOQNOKSA-N 324.380 2.628 0 40 DFAB biogenic Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 12630378 QFTHZHCXUMZISK-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB in-vitro O=C(CCNC(=O)c1ccoc1)Nc1ccc2ccccc2n1 44918204 RKODQRXJRFWPRF-UHFFFAOYSA-N 309.325 2.586 0 40 DFAB O=C(O)/C=C/CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 44980261 NELILGZPDBRQRI-HWKANZROSA-N 303.314 2.698 0 40 DFAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(F)cc1F 12980712 NJVSKYNEUXMOJV-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 29094155 AGDTVWITUMAUNG-DLBZAZTESA-N 302.393 2.672 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNCc1cccnc1N(C)C 48712371 WEYSOKVLBSXKGU-UHFFFAOYSA-N 321.856 2.948 0 40 DFAB CN(C)c1ncccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 64027481 CRDDSQKFDYTJCY-OAHLLOKOSA-N 310.357 2.604 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)c(F)c1 7959195 QLXBYDZAGHZDHZ-CQSZACIVSA-N 322.311 2.641 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1-n1cccc1 65465676 HECYMXGHRBTFBC-MRXNPFEDSA-N 320.396 2.727 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N(C)C)cc1 14095813 QJZHSTUWIIIKKD-YVEFUNNKSA-N 312.369 2.920 0 40 DFAB Cc1cccc(NC[C@H]2CCN(Cc3nc(C)c(C)o3)C2)n1 65538548 HCIPWHMWLXXDLR-OAHLLOKOSA-N 300.406 2.929 0 40 DFAB CCn1c(-c2ccccc2)nn(CN2CCO[C@H](C)C2)c1=S 14137961 IKIZQLNHFYWHCF-CYBMUJFWSA-N 318.446 2.779 0 40 DFAB Cc1ccccc1-c1noc(Cn2cnc3ccccc3c2=O)n1 5453394 BLNMOQORIGLXCK-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB CC1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 4699280 RAPVJTVSZIEBCK-UHFFFAOYSA-N 310.438 2.892 0 40 DFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)CCC2 6647478 BFYSQOYHPMEPBS-UHFFFAOYSA-N 319.364 2.593 0 40 DFAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(C)=O 4732567 FEHNJVPRLFQSDE-UHFFFAOYSA-N 323.356 2.621 0 40 DFAB Cc1nnc(COC(=O)c2ccccc2C(=O)c2ccccc2)o1 5654995 YCMMPCNJXPVCDL-UHFFFAOYSA-N 322.320 2.966 0 40 DFAB O=C([C@@H]1CCc2ccccc21)N1CCC(Nc2cccnn2)CC1 69655210 GFBLUTORPXEIMJ-QGZVFWFLSA-N 322.412 2.610 0 40 DFAB O=C(NC[C@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1 69774858 QXBXGKIZMYBAEK-IUODEOHRSA-N 324.808 2.602 0 40 DFAB CNc1nnc(SCCOc2ccccc2C(C)=O)s1 17979889 DQGXDAGOHUTRDM-UHFFFAOYSA-N 309.416 2.954 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nnc(C)s2)c(Cl)c1 83955840 ZYNBATSCKGLODZ-UHFFFAOYSA-N 303.796 2.609 0 40 DFAB COC1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1 8923521 PDHZTLJMSROBOV-UHFFFAOYSA-N 300.761 2.528 0 40 DFAB Cc1ncsc1CN[C@H](C)c1ccc2c(c1)NC(=O)CO2 71212585 XHJISFQJWLHXCJ-SECBINFHSA-N 303.387 2.633 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1 9815974 HIEVGWYFJAZVSP-GXFFZTMASA-N 321.446 2.729 0 40 DFAB COCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736236 QKYXHRVYWHGSPT-UHFFFAOYSA-N 316.357 2.555 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282916 GJNSTWXCGPDJSC-MFKMUULPSA-N 302.378 2.524 0 40 DFAB Cn1c(C(=O)N2CCN3CCCC[C@@H]3C2)cc(Cl)c1Cl 71839804 YZBCCKPVBHOBET-SNVBAGLBSA-N 316.232 2.642 0 40 DFAB Cc1cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c2c(C)nn(C)c2n1 61721656 RAQVIUUFCDNNRB-HZSPNIEDSA-N 310.401 2.527 0 40 DFAB CCCC(=O)N[C@H](NCc1cccnc1)C(Cl)(Cl)Cl 19990435 SJLWCXZPVWTIMJ-NSHDSACASA-N 324.639 2.784 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCn2cccc2[C@@H]1C 72297106 TZQQSZDMVHSFBC-WFASDCNBSA-N 314.433 2.620 0 40 DFAB C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@H]1O 97045222 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CSc1nsc(NC(=O)c2cccc(-n3ccnc3)c2)n1 79055569 RSTJSYYATVTZDV-UHFFFAOYSA-N 317.399 2.698 0 40 DFAB CC(C)C(=O)Nc1ccc(Oc2cnn(C)c(=O)c2Cl)cc1 84928883 WHGMUDWZOQHXJI-UHFFFAOYSA-N 321.764 2.821 0 40 DFAB COc1cccc(OCC(=O)Nc2ccc(OC(C)C)nc2)c1 79222205 WLYDFAXJHLCXJZ-UHFFFAOYSA-N 316.357 2.895 0 40 DFAB CCC[C@@H]1SCCN1S(=O)(=O)c1sc(C)nc1C 95980093 HDRYJFXMLXNLRW-JTQLQIEISA-N 306.478 2.624 0 40 DFAB COCCN(Cc1ccccn1)C(=O)N1[C@@H](C)CCC[C@@H]1C 95984076 HPMCJVQHFAULCN-GJZGRUSLSA-N 305.422 2.913 0 40 DFAB CC[C@@H](NC(=O)N[C@@](C)(CO)C1CC1)c1ccccc1OC 95966558 KKPVRCXQAVQZJP-PBHICJAKSA-N 306.406 2.607 0 40 DFAB COC[C@@H]1CCCN1C(=O)c1cccc(OC(F)(F)F)c1 95966924 VHOWRPYBRDYVLA-NSHDSACASA-N 303.280 2.836 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)[C@H]2CCOC2)c1C 110625551 XFZSMBCWTLCZQZ-HOCLYGCPSA-N 309.431 2.559 0 40 DFAB Cc1nccc(CNC(=O)Nc2cc(Cl)ccc2N(C)C)n1 77497450 SUWIESXOWVPEIY-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB CN(C)c1ccc(C(=O)NCC[C@@H](O)c2cccs2)cc1 77113534 PZHFQPWIMIIESM-CQSZACIVSA-N 304.415 2.668 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Cc1ccc(NC(=O)CCNC(=O)/C=C/c2ccsc2)nc1 69489154 MYYYOKAZUZHDHT-HWKANZROSA-N 315.398 2.610 0 40 DFAB CC(C)COC(=O)N1CCC(C(=O)Nc2cccnc2)CC1 69418726 RJSLSEMSRNRUJE-UHFFFAOYSA-N 305.378 2.525 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)NC[C@H]1CC=CCC1 65585122 LJSHJPMOUDRYQL-LBPRGKRZSA-N 319.430 2.742 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(c3nc4ccccc4o3)C2)n1 69698103 WQAUTEUKMVECIV-AWEZNQCLSA-N 311.389 2.953 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@@H](n2cccn2)C1 65608563 ZGEQFWJMTZYFGX-ZBFHGGJFSA-N 313.426 2.764 0 40 DFAB Cc1nc(NS(=O)(=O)c2ccc(F)c(F)c2)sc1C 65614936 VWRYHPNNDDRDKU-UHFFFAOYSA-N 304.343 2.839 0 40 DFAB O=C(CCCc1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 14226583 HWOMHZUHJXMTDD-UHFFFAOYSA-N 301.371 2.879 0 40 DFAB COC(=O)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 7045328 KRHBUZXDJJWARK-UHFFFAOYSA-N 312.350 2.835 0 40 DFAB CC(C)c1cc(NC[C@H](O)c2cnn(C)c2)nc(C(C)C)n1 90095448 SBIWPNGFIYMFAO-AWEZNQCLSA-N 303.410 2.602 0 40 DFAB COC(=O)c1ccc(CSc2nnc(C3CC3)n2C)cc1 7235494 UOHRYQUMDJOSOC-UHFFFAOYSA-N 303.387 2.771 0 40 DFAB Cc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1 7312209 ODSSUYWTZVZGBC-UHFFFAOYSA-N 303.170 2.803 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 118925122 RPSMMZVJXWXNQX-BMHVKFLUSA-N 306.446 2.930 0 40 DFAB O=C(O)CC1CCN(C(=O)c2ccc3ncsc3c2)CC1 93678750 RDOHKXAETLUKIS-UHFFFAOYSA-N 304.371 2.623 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)Nc2nnc(C3CC3)s2)C12CCC2 96433756 OXELUOIWRYUGLN-MNOVXSKESA-N 322.434 2.885 0 40 DFAB CCN(CC)CCCNC(=O)c1cc2cc(OC)ccc2[nH]1 9581770 YCAXTSZSUHFIRD-UHFFFAOYSA-N 303.406 2.638 0 40 DFAB COC(=O)C1(NC(=O)c2ccc3[nH]ccc3c2)CCCCC1 71886395 DMNHHYVNZBSTOL-UHFFFAOYSA-N 300.358 2.774 0 40 DFAB O=C(Cn1cccn1)N1CCC(Cc2ccc(F)cc2)CC1 71853475 LWCTXWIQKGQILR-UHFFFAOYSA-N 301.365 2.504 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 71870700 OYTJZTHLIVDCBC-AWEZNQCLSA-N 323.400 2.571 0 40 DFAB COc1cc(Cl)ccc1CNC(=O)N1CCSCC1 71886676 YSRGSHOERLGETD-UHFFFAOYSA-N 300.811 2.607 0 40 DFAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)oc2ccc(F)cc12 71829795 QKDCKUZLMMMUFY-MWLCHTKSSA-N 318.348 2.606 0 40 DFAB Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2)c1 72295115 XNEZDTIRPQTJRU-ZDUSSCGKSA-N 314.360 2.993 0 40 DFAB CC(=O)N[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 97081592 SSGFNFXXEUZDMY-YMTOWFKASA-N 314.788 2.817 0 40 DFAB COC[C@H]1CN(c2ccc3c(Cl)ccnc3c2F)CCO1 78342671 HTFLHILBGKAYQX-SNVBAGLBSA-N 310.756 2.879 0 40 DFAB CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccncc1 97107011 NAERPPKLYGHYML-UHFFFAOYSA-N 308.345 2.568 0 40 DFAB O=C(CN1CCCCCCC1=O)N[C@H]1C[C@H]1c1ccc(F)cc1 84393464 FHSASMSAZNXERP-HOTGVXAUSA-N 318.392 2.591 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC(O)CC1 84393397 QDIVDMQNERFKIF-KGLIPLIRSA-N 324.218 2.536 0 40 DFAB CCCn1cnnc1COC(=O)c1ccc2nc(C)ccc2c1 97230063 IRLAUGQITHIPNB-UHFFFAOYSA-N 310.357 2.902 0 40 DFAB CC(C)[C@H](NC(=O)NC[C@](C)(O)c1ccco1)c1ccccn1 84456403 HTXRBPPFKSVYJW-RDJZCZTQSA-N 317.389 2.579 0 40 DFAB O=C1CC[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CN1 84576866 KZQNICZZWPATGU-CYBMUJFWSA-N 306.365 2.723 0 40 DFAB COc1c(F)cc(NCc2cc(=O)n3ccccc3n2)cc1F 79183755 XUOZYMDONHCKEV-UHFFFAOYSA-N 317.295 2.593 0 40 DFAB CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(-c2cnn(C)c2)s1 95395504 HIDZWQCUGSRASA-NEPJUHHUSA-N 321.402 2.658 0 40 DFAB CC[C@H]1CCCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 95399686 QBVYONVHTTYAME-HOTGVXAUSA-N 306.450 2.816 0 40 DFAB COc1ncncc1NC(=O)c1c(-c2ccccc2)noc1C 95415776 DKTLYVVDLANFON-UHFFFAOYSA-N 310.313 2.701 0 40 DFAB C[C@@H](CCN1CCCC1=O)NCc1cnc(C2CCC2)s1 95415476 ALNSXVDCRNLHMS-LBPRGKRZSA-N 307.463 2.901 0 40 DFAB COc1cccc(CNc2ccc(CS(C)(=O)=O)c(F)c2)c1 95412867 CDPUUDGAPLNSQB-UHFFFAOYSA-N 323.389 2.991 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H]2CCCOc3c(C)cccc32)C1 95423892 XKHZBQUZNDSQJO-HOCLYGCPSA-N 302.418 2.809 0 40 DFAB CC(C)[C@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)N1CCCCC1 95994520 ZUJRCUGEOZBHJS-HUUCEWRRSA-N 310.482 2.959 0 40 DFAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1ccco1 89489982 SWBGUWWDPMXRON-UHFFFAOYSA-N 306.387 2.604 0 40 DFAB COc1cccc(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 35312373 DSZWJYMJWGMHPL-LBPRGKRZSA-N 311.337 2.692 0 40 DFAB Cc1nc(C)c(CN2CCC(NC(=O)C3CCC3)CC2)s1 1002214763 HJFBXNNCJOYUND-UHFFFAOYSA-N 307.463 2.641 0 40 DFAB CC(=O)N1CCC[C@@H](c2cccc(Nc3nnc(C)s3)n2)C1 72375933 GBLXSSIFIZVAJC-GFCCVEGCSA-N 317.418 2.711 0 40 DFAB COc1cccc2ccc(CN3C[C@H]4CCCN4C[C@H]3C)nc12 72324684 NWKYCNGZJOCDCF-RHSMWYFYSA-N 311.429 2.912 0 40 DFAB CC[C@H](COC)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1 225485332 SMOXFEQKPGHJHC-CYBMUJFWSA-N 302.378 2.727 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC[C@@](C)(O)CCSC 75157484 IHQIRKMWAPPIDM-AWEZNQCLSA-N 317.838 2.583 0 40 DFAB CCc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1 223979481 SUYBIFHWOFIPLZ-UHFFFAOYSA-N 323.389 2.745 0 40 DFAB Nc1nn(-c2cc(Cl)cc(Cl)c2)nc1Br 89262269 OFJJISRXFLAQCS-UHFFFAOYSA-N 307.966 2.919 0 40 DFAB CN1C(=O)C2(CCN(Cc3nccs3)CC2)c2ccccc21 96052492 LKAICKVHEFKATC-UHFFFAOYSA-N 313.426 2.653 0 40 DFAB CN(C)C1(CN[C@@H]2CSCCc3ccccc32)CCOCC1 96477653 VASUTBQQIBPGEL-QGZVFWFLSA-N 320.502 2.717 0 40 DFAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)C1=CCCC1)C2 96040556 YYMAOUVGSLBOJG-WMZOPIPTSA-N 307.434 2.919 0 40 DFAB c1nc2c(c(NC3CC3)n1)CCN(Cc1ccsc1)CC2 96255468 VZUCCISXRPPPHL-UHFFFAOYSA-N 300.431 2.713 0 40 DFAB Cc1nc(C)c(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 97234254 RFMOUCWKQCXHEV-ZDUSSCGKSA-N 319.434 2.920 0 40 DFAB O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccco1 96452612 CMLFWQGTSXXUGL-AWEZNQCLSA-N 313.353 2.989 0 40 DFAB C[C@@H](Cc1cccs1)NC(=O)NC[C@@](C)(O)c1cccs1 96417624 LROYIKHNTFRCGC-XHDPSFHLSA-N 324.471 2.948 0 40 DFAB Cc1sc(=O)n(Cc2nc([C@H](C)OCC(C)C)no2)c1C 96435872 RPNCXUZLAZFFLX-JTQLQIEISA-N 311.407 2.692 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C)o1)C2 96056848 KBURDOLOQUWYKL-NVXWUHKLSA-N 307.390 2.636 0 40 DFAB COc1ccc([C@@H](C)CCNC(=O)Nc2cnn(C)c2)cc1 96433873 LXVSJLSXJVJUHT-LBPRGKRZSA-N 302.378 2.744 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)ccn1 257222049 DRRDSUUHABWTLT-INIZCTEOSA-N 315.373 2.715 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257239341 HOVZOLZPOSCQHG-QGZVFWFLSA-N 307.397 2.903 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257292103 QKAGQNPRPBEQCL-AWEZNQCLSA-N 312.373 2.629 0 40 DFAB Cc1c(CN2CC[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccc(F)cc12 257265929 MAXNUYAJZYGVFY-ROUUACIJSA-N 318.392 2.731 0 40 DFAB CO[C@]1(COc2ccccc2)CCN(Cc2c(C)n[nH]c2C)C1 585279296 ZDJMJEOZMIKJND-GOSISDBHSA-N 315.417 2.696 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cnco2)[C@H]1Cc1ccc(F)cc1 585269371 QOFXEIDFVKDQJT-GJZGRUSLSA-N 318.348 2.676 0 40 DFAB CN(CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)C1CC1 65440919 HDVMRNCUNKRXAH-UHFFFAOYSA-N 324.428 2.574 0 40 DFAB Cc1cc2nnc(SCCCCC(N)=O)n2c2ccccc12 65724102 STVMXZLWAAGYCK-UHFFFAOYSA-N 314.414 2.939 0 40 DFAB CO[C@@]1(CNC(=O)c2c(F)cccc2Cl)CCSC1 96097574 YGPCKOGWINLPJP-CYBMUJFWSA-N 303.786 2.731 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C 11174672 CSDLLUXAQFJJOD-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB CCn1ccnc1N1CCN(C(=O)c2ccccc2Cl)CC1 11695633 VSRYFZUWUCPRNB-UHFFFAOYSA-N 318.808 2.519 0 40 DFAB CCc1nc2ccc(NC(=O)C3Oc4ccccc4O3)cc2[nH]1 12116924 PJIHKPGGFKBGKH-UHFFFAOYSA-N 309.325 2.861 0 40 DFAB CC(C)(C)C(=O)N1CCc2cc([C@@H](O)CN3CCCC3)ccc21 12181136 SCIXIOLDLJBAIK-KRWDZBQOSA-N 316.445 2.751 0 40 DFAB CCc1c(C)nc2cc(-c3ccco3)nn2c1NCCOC 12276315 LPEJQBDUFZIJMJ-UHFFFAOYSA-N 300.362 2.918 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2Br)C[C@@H](C)O1 19422082 DGRKQZVTLWFUKF-WDMOLILDSA-N 313.239 2.558 0 40 DFAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@@H](C)C3CC3)CC2)n1 19748356 BELXVCQQSGGXFA-AWEZNQCLSA-N 316.449 2.615 0 40 DFAB CC(=O)Oc1c(C)s/c(=N\c2ccc(C)cc2)n1C(C)=O 5375670 HTFIMLFLXCURQP-NXVVXOECSA-N 304.371 2.984 0 40 DFAB O=C(O[C@@H]1CCOC1=O)c1cc(Br)ccc1Cl 3352463 JZDVEOUCWJTENC-SECBINFHSA-N 319.538 2.575 0 40 DFAB CCc1ccc([C@H]2c3c(n[nH]c3C)C[C@](C)(O)[C@@H]2C(C)=O)cc1 5129931 AURQONAMLKFZDJ-OTWHNJEPSA-N 312.413 2.925 0 40 DFAB CCN(CC)CCNC(=S)NC12CC3CC(CC(C3)C1)C2 5339677 FYKPXGNOQSSTKT-UHFFFAOYSA-N 309.523 2.761 0 40 DFAB C[C@@H](Sc1nnc(N)s1)c1cn(-c2ccccc2)nn1 96471879 DKZMQCWGLUBRGZ-MRVPVSSYSA-N 304.404 2.554 0 40 DFAB O=C(Nc1ccc2cn[nH]c2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 40086689 JTOWYVKAOSQDRV-CYBMUJFWSA-N 320.352 2.555 0 40 DFAB COC(=O)c1cncc2c1ncn2COCC[Si](C)(C)C 1857793268 GPFFGUVPWDVWJP-UHFFFAOYSA-N 307.426 2.530 0 40 DFAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CCCC3)ccc12 146225 BCFNABBBBALEKJ-GFCCVEGCSA-N 315.369 2.928 0 40 DFAB CCOc1ccccc1N[C@@H](C)C(=O)NC(=O)NC(C)(C)C 28806313 YQTDKIFOAIKVOE-NSHDSACASA-N 307.394 2.510 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)c1ccccc1F 28912373 ORTFKYPPWLVJBM-CQSZACIVSA-N 320.364 2.504 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@@H](C)C1 40514045 YUEPYNSZZDDKLY-LBPRGKRZSA-N 316.426 2.903 0 40 DFAB Nc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O 1692552 VWFAWXHODXORCP-UHFFFAOYSA-N 306.368 2.792 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)C1(c3ccccc3F)CC1)C2 101348442 PUJITQQMGNRVDU-GJZGRUSLSA-N 316.420 2.989 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(F)cc1 11657624 QVRPEGRNPYSJIO-CYBMUJFWSA-N 324.359 2.957 0 40 DFAB O=S(=O)(NCCN1CCCCC1)c1ccc2ccccc2c1 46034715 XIZSBDVNBFYCKW-UHFFFAOYSA-N 318.442 2.604 0 40 DFAB CC[C@H](NC(=O)CCNc1ncccn1)c1ccccc1OC 52748694 BKRQCIZXAKAKEH-AWEZNQCLSA-N 314.389 2.555 0 40 DFAB COc1ccccc1OCCN1C(=O)C(=O)c2cccc(C)c21 2706826 URKOLJBUIOJMAN-UHFFFAOYSA-N 311.337 2.612 0 40 DFAB Cc1cccc(C2(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1 53422742 VFVVKWSTBVZIPR-UHFFFAOYSA-N 319.368 2.641 0 40 DFAB CC(C)(C)C1=NNC(=O)[C@@H]1C(=O)CCCOc1ccccc1F 103780667 ABSZCNHKDROTTD-CQSZACIVSA-N 320.364 2.702 0 40 DFAB CCOc1ncccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 54287828 ZLFKFZPBIMJFQD-OAHLLOKOSA-N 311.341 2.936 0 40 DFAB CCOC(=O)[C@H](CC)n1cnc2sc3c(c2c1=O)CCCC3 914897 KJUXFNJVQQINOV-NSHDSACASA-N 320.414 2.851 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccncc2)CC1 75123048 ZDWSQDMWBKJDCQ-MOPGFXCFSA-N 321.424 2.530 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1 12391065 KRVOKNGUEQRMDE-SJLPKXTDSA-N 324.380 2.853 0 40 DFAB Cc1csc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 54516504 HGVPPDXRLPLUJG-UHFFFAOYSA-N 322.455 2.809 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)on1)[S@@](=O)Cc1ccccc1C 24772464 OWKZFFBOPWOKNR-JLCFBVMHSA-N 320.414 2.957 0 40 DFAB Cc1cc(NCCCn2ccc3ccccc32)n2ncnc2n1 12596534 NURAKYHAXKSTFT-UHFFFAOYSA-N 306.373 2.890 0 40 DFAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccncc1 12514995 YOYJVLPJQAHAKD-UHFFFAOYSA-N 310.275 2.796 0 40 DFAB C[C@H]1CN(C(=O)N[C@H](C)c2ccco2)CCN1CC(F)(F)F 108145203 WLSCMZAEJKWHME-WDEREUQCSA-N 319.327 2.619 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)Cn1ccc(C(F)(F)F)n1 47742196 WIRCMGNFVIAGRQ-JTQLQIEISA-N 315.295 2.632 0 40 DFAB c1cc(CNCc2ccc(N3CCCC3)nc2)c2c(c1)OCO2 47701296 JCUWTIGYTFHHCH-UHFFFAOYSA-N 311.385 2.700 0 40 DFAB C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccccc1 58264545 HKDWIACYHVMFOP-BLLLJJGKSA-N 302.349 2.920 0 40 DFAB CCCS(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 58282014 WILYBCYLNYRNGJ-UHFFFAOYSA-N 324.377 2.842 0 40 DFAB CCC[C@H]1CCc2nc(NC(=O)CCNC(C)=O)sc2C1 58345549 ANKJGXDZAYAKLP-NSHDSACASA-N 309.435 2.513 0 40 DFAB O=C(CSc1nnc2ccccn12)c1ccc(F)c(F)c1 3317181 NZRNADJZMQMQDY-UHFFFAOYSA-N 305.309 2.983 0 40 DFAB Cc1cc(-n2cc(C(=O)NCc3ccccc3C)nn2)ccc1F 67262025 GBCLFLWDNBTGEO-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 48250282 RKYIBANAXZTYRD-ZIAGYGMSSA-N 314.385 2.910 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 408620861 KHUPHFBEMOUTAM-YZXKGSGOSA-N 313.784 2.893 0 40 DFAB Brc1ccc([C@@H]2CN(c3ncccn3)CCO2)cc1 49056273 RXAJPELXXYLWNQ-ZDUSSCGKSA-N 320.190 2.817 0 40 DFAB CCc1nnc(NC(=O)c2cncn2-c2ccc(F)cc2)s1 7281816 SHCNXRHXTZTNLR-UHFFFAOYSA-N 317.349 2.678 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)N[C@H](C)c1cccs1 6363838 IEQINRSKXGNGJW-LLVKDONJSA-N 318.398 2.824 0 40 DFAB Cc1nnc2sc(-c3ccccc3NC(=O)C(C)C)nn12 4733055 KHBAGMLXLOTLSY-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)nc1 69348864 MLUFWSVSXDSKIP-ZDUSSCGKSA-N 300.358 2.655 0 40 DFAB Cc1ccnc(SCC(=O)NCc2ccc(Cl)cc2)n1 17031653 UNPBHPZTRVEFLW-UHFFFAOYSA-N 307.806 2.847 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)no1 69532258 ULZQWSMNCOBVNO-ZDUSSCGKSA-N 318.377 2.843 0 40 DFAB Cc1c(C(=O)n2ncc(-c3cccc(Cl)c3)c2N)cnn1C 69515523 JNDSWKYZVNJRDO-UHFFFAOYSA-N 315.764 2.516 0 40 DFAB Clc1ccccc1CSc1nnnn1C1CCOCC1 69568875 CRFCOERYFQUMLY-UHFFFAOYSA-N 310.810 2.970 0 40 DFAB COc1ccc(-c2nc(CNCCn3cccn3)cs2)cc1 69922537 UMZQEANCLYIZQR-UHFFFAOYSA-N 314.414 2.805 0 40 DFAB c1csc(-c2nc(CN3CCC[C@@H](N4CCCC4)C3)no2)c1 89800071 DJZMLZSPAOZEQI-CYBMUJFWSA-N 318.446 2.858 0 40 DFAB COC(=O)[C@@H](NC(=O)/C=C(/C)C1CC1)c1ccc(F)cc1F 89873498 RRGQZVBZDNXJAP-VIHMKRCTSA-N 309.312 2.651 0 40 DFAB Nc1ncnc2sc3c(c12)CCN(C(=O)C[C@@H]1C=CCC1)C3 9154436 NZIAJIODTGYSNX-SNVBAGLBSA-N 314.414 2.515 0 40 DFAB O=[S@](CCO)Cc1ccc(Oc2ccccc2F)c(F)c1 97046662 LYFNKQHSSUIJHA-NRFANRHFSA-N 312.337 2.998 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1(C)C 96415601 SEHJREWRDBTSEB-AEGPPILISA-N 305.422 2.988 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840050 UICBUSUOCLLZQB-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB CN(C)[C@@H]1CCCN(C(=O)c2sccc2Br)C1 71857320 CYIHUQMUOQMJMP-SECBINFHSA-N 317.252 2.677 0 40 DFAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCOC1 71847575 NPVREPQYTRWYBS-NSHDSACASA-N 302.305 2.988 0 40 DFAB Fc1cccc(Cl)c1CCN1CCC[C@H]1Cn1cncn1 71875169 OJIWSROSXSSPKS-LBPRGKRZSA-N 308.788 2.778 0 40 DFAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C)C1 83752760 JRRMBMPDEXYTOI-YGGLWSGOSA-N 300.468 2.508 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1C[C@H]1c1ccco1 84374333 GRULGUCOWHGCCU-KGLIPLIRSA-N 312.325 2.978 0 40 DFAB CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccsc2)cc1 89943572 DSIMTRIMLAFWIZ-OAHLLOKOSA-N 318.442 2.790 0 40 DFAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1cnn(CC(F)F)c1 72549221 YSCZHXUZIKHULG-CYBMUJFWSA-N 323.347 2.856 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc([S@](C)=O)c2)C[C@@H](C)S1 76070107 DMXNOEALVHNFGV-QZXWKGOOSA-N 312.460 2.782 0 40 DFAB Cc1cccnc1[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)C(C)C 95404010 DOALPLXLIUKWIW-ILXRZTDVSA-N 316.401 2.870 0 40 DFAB COCc1cccc(CNC(=O)CNc2ccc(F)c(F)c2)c1 95417937 MRDXHLABXKMDDK-UHFFFAOYSA-N 320.339 2.840 0 40 DFAB COC[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 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O=C(Cc1ccccc1F)NC[C@H](O)c1ccccc1Cl 77631678 OZRGLRIYRSWBEU-HNNXBMFYSA-N 307.752 2.871 0 40 DFAB CCn1cncc1CN1CCC(Oc2ccc(OC)cc2)CC1 557171638 XCGVTHNKJXOBIS-UHFFFAOYSA-N 315.417 2.955 0 40 DFAB COc1ccccc1-c1ccc(=O)n(CN2CCCCCC2)n1 79488689 BYTLUBAMACERNO-UHFFFAOYSA-N 313.401 2.752 0 40 DFAB CCCn1c2ccccc2n2c(SCCC(=O)O)nnc12 218826315 SBYWLFHWBQIMKJ-UHFFFAOYSA-N 304.375 2.661 0 40 DFAB CCS(=O)(=O)c1ccc(N(C)Cc2ccccc2)cc1N 42783782 SHDKSPXEOJQBKY-UHFFFAOYSA-N 304.415 2.699 0 40 DFAB CC(C)(C)n1nccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 190585212 FHQWHGMEOCPIQL-BNOWGMLFSA-N 318.421 2.717 0 40 DFAB COC(=O)[C@H](CCCCN[Si](C)(C)C)N[Si](C)(C)C 195807547 XNNSMELHXVUNMU-LBPRGKRZSA-N 304.583 2.547 0 40 DFAB CC(=O)N1CCc2c(NCc3cc(C(F)(F)F)n[nH]3)cccc21 571245531 STDHJOPXSDIYKM-UHFFFAOYSA-N 324.306 2.950 0 40 DFAB COCN1C(=O)CCc2cc(NC(=O)C[C@H]3C=CCC3)ccc21 191329973 VZPIVZTURHGPJE-ZDUSSCGKSA-N 314.385 2.865 0 40 DFAB CC1(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCC1 195577813 FFRGLRYAAAOXBK-UHFFFAOYSA-N 316.810 2.808 0 40 DFAB Cc1ncsc1CNCC1(CN2CCOCC2)CCCCC1 83476667 JYDIMCLNBNCVHZ-UHFFFAOYSA-N 323.506 2.824 0 40 DFAB CSc1nsc(NC(=O)Cc2cc(F)ccc2F)n1 84629234 LKNSIZGRZVAVPX-UHFFFAOYSA-N 301.343 2.719 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](CC)N2CCCC2=O)C1 195532508 KNOOFIPJNIKSBV-BFHYXJOUSA-N 312.479 2.520 0 40 DFAB CO[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)[C@H]2CCO[C@H]12 96218194 YUCVWNVVQWVGRQ-ZOBUZTSGSA-N 323.820 2.677 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccnc(N(C)C)c2)C1 96432368 XNAQAZRSUSXEEC-ZIAGYGMSSA-N 307.463 2.894 0 40 DFAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3cc(C)oc3C)C2)C1 96107451 WREDTQOGHDBLOX-YOEHRIQHSA-N 307.390 2.697 0 40 DFAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1ccoc1)CC2 96197764 JHQXTMASELBYFP-INIZCTEOSA-N 301.390 2.539 0 40 DFAB Cc1cccc(C)c1C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 578126866 UOQYAOZXUSEPHY-GOEBONIOSA-N 313.401 2.687 0 40 DFAB CC[C@H](NC(=O)NCCC1(C)OCCO1)c1ccc(C)cc1 96502970 LDTFJZOAPTUPEM-HNNXBMFYSA-N 306.406 2.898 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC1(C)CCCC1 96440048 FKTWZBDQYFDWAG-GFCCVEGCSA-N 306.454 2.847 0 40 DFAB CC(C)[C@@H]1N(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1(C)C 579811526 FSYLFWZJBZERRY-ZDUSSCGKSA-N 324.402 2.589 0 40 DFAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 96412719 IUKVVWYICFNGFQ-CYBMUJFWSA-N 322.836 2.571 0 40 DFAB Cc1ncsc1CN1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 248061071 VNMLUVPDQXIVAB-DZKIICNBSA-N 308.447 2.610 0 40 DFAB CO[C@H]1CN(C(=O)c2cccc(Cl)c2)CC[C@@]12CCCO2 257341616 ZLBRXGZZNYIOQB-HOCLYGCPSA-N 309.793 2.750 0 40 DFAB CN(C)c1cc([C@@H]2CCCN(Cc3cscn3)C2)ccn1 257343052 ZRGRQXPLJCRKPZ-CQSZACIVSA-N 302.447 2.984 0 40 DFAB CC(C)COCCN1CCCN(C(=O)c2cccc(F)c2)CC1 252499868 SHHGPMDEGCGGSO-UHFFFAOYSA-N 322.424 2.646 0 40 DFAB CCCN(CC(=O)O)C(=O)C[C@H]1OCc2cc(Cl)ccc21 655537931 AVZDEYBMFMIKNG-CYBMUJFWSA-N 311.765 2.625 0 40 DFAB Cc1nc(C(=O)N2CCC[C@]3(CCN3CC(C)C)C2)cs1 585101838 ITPWSAQKDAKZRU-INIZCTEOSA-N 307.463 2.788 0 40 DFAB CN1CCC[C@@]12CCCN(C(=O)Cc1cc(F)cc(F)c1)CC2 585100747 VIZWMARKGPTKIW-SFHVURJKSA-N 322.399 2.984 0 40 DFAB Cc1cccc(OC[C@@]2(O)CCN(Cc3ccc(F)cn3)C2)c1 585269359 QISNQWMFKJUSOJ-GOSISDBHSA-N 316.376 2.545 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)n2ccnc2)cc1OC 52693113 OOIFQZPLORWMMW-STQMWFEESA-N 317.389 2.729 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CCN(c2ccc(F)cc2)C1=O 53059165 APFSMOZNHPBKMZ-OAHLLOKOSA-N 316.307 2.956 0 40 DFAB COc1cccc(CNCC(=O)Nc2cccc3cccnc23)c1 78394236 JLFVBXUNOYLKFR-UHFFFAOYSA-N 321.380 2.972 0 40 DFAB CCN[C@H](C)CNC(=O)C(=O)N[C@H](C)CN(CC)CC 97374202 PRAJECVZKFUIER-RNCFNFMXSA-N 286.420 -0.053 0 40 DFAB O=c1ccc(=O)n2c(-c3ccccc3)c(-c3ccccc3)oc2n1 17053693 UKIZJIFOQGWEJI-UHFFFAOYSA-N 316.316 2.982 0 40 DFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(C)C)CC1 1888906846 RCHAYPQPMWBHGR-UHFFFAOYSA-N 317.408 2.964 0 40 DFAB Cc1cnn(CC2CN(C(=O)c3ccc(OC(C)C)cc3)C2)c1 1848796476 GAZKIAVHJHUDNS-UHFFFAOYSA-N 313.401 2.751 0 40 DFAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 30365684 KREMYIPUUXKBHR-ZDUSSCGKSA-N 324.833 2.536 0 40 DFAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)no1 1776009340 DYCZPMXCZXQLEY-RYUDHWBXSA-N 320.780 2.841 0 40 DFAB O=S(=O)(NC1CCCC1)c1cccc(OC(F)(F)F)c1 24239976 ANFKISJBPZYHGK-UHFFFAOYSA-N 309.309 2.806 0 40 DFAB Cc1ccsc1CNc1cc(S(N)(=O)=O)cc(C)c1C 36959369 RDAUFVMBVVNGAY-UHFFFAOYSA-N 310.444 2.933 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)CCc3ccc[nH]3)C[C@H]21 1565544103 DEQKAMUOTSHRKZ-BBRMVZONSA-N 324.428 2.659 0 40 DFAB C[C@@H](O)CN(C[C@@H](C)O)c1ccc2c(c1)Cc1cc(F)ccc1-2 1687573 XQGIPTZYDFQCJB-CHWSQXEVSA-N 315.388 2.965 0 40 DFAB O=C(Cn1nc(Cl)nc1Cl)c1cc2ccccc2oc1=O 2214638 ACIJLVMBHSTHLJ-UHFFFAOYSA-N 324.123 2.574 0 40 DFAB Cc1nc2ccccc2n1C1CN(c2nc3cccnc3n2C)C1 1775973839 HGCXCEJKNOQINF-UHFFFAOYSA-N 318.384 2.688 0 40 DFAB O=C(c1ccoc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255736 XHHZPCQNSLUVHL-ZDUSSCGKSA-N 309.325 2.516 0 40 DFAB Brc1cnccc1N1CC(COc2cccnc2)C1 2298049113 BXCBKCUBSVREGS-UHFFFAOYSA-N 320.190 2.754 0 40 DFAB Cc1ccc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 2298082626 ZQQODGITXCGVKM-HNNXBMFYSA-N 323.400 2.926 0 40 DFAB CCCc1cc(=O)n2nc(NCc3cccc(Cl)c3)nc2[nH]1 101311129 DNVUCQNQYDDZAO-UHFFFAOYSA-N 317.780 2.636 0 40 DFAB Cc1noc2ncc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12 30989775 RHVSPNCPNDRPCS-JTQLQIEISA-N 313.279 2.946 0 40 DFAB Cc1[nH]c2c(C)ccc(F)c2c1CCNC(=O)c1ccnn1C 29002 IWRKFWYHIPAURC-UHFFFAOYSA-N 314.364 2.630 0 40 DFAB CC(C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 303858 OWHICFWNCJNOSZ-UHFFFAOYSA-N 303.328 2.553 0 40 DFAB CN(C)c1nc(Cl)nc2c1nc(Cl)n2[C@H]1CCCCO1 1696526 NVMKZCLWEGENCM-SSDOTTSWSA-N 316.192 2.898 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)s1 40535233 ZGYMSWWWYILAJL-UHFFFAOYSA-N 301.371 2.838 0 40 DFAB COc1ccc([C@H]2OC3=Nc4ccccc4N[C@H]3C2=O)cc1OC 104239933 HDGIXWOCASFWDK-DOTOQJQBSA-N 324.336 2.869 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1 20737994 GCWQPUFPPNRKCR-CYBMUJFWSA-N 321.380 2.674 0 40 DFAB CCNC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 325012 SBFHVNJGRLPMNQ-ZDUSSCGKSA-N 300.362 2.993 0 40 DFAB COc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 11775641 JQRGZKDIHWNNDL-JOCHJYFZSA-N 317.410 2.504 0 40 DFAB COC(=O)c1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)nc1 69896491 IHFQATCCKNHTGD-LBPRGKRZSA-N 310.353 2.707 0 40 DFAB COc1ccc(NC(=O)CCN2CCO[C@H]3CCCC[C@@H]32)cc1 69814611 IAYPGHUYHKZSQG-IRXDYDNUSA-N 318.417 2.667 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2n1 102597442 XYRPFHDEFRNJCD-AJNGGQMLSA-N 312.417 2.901 0 40 DFAB COC(=O)c1cccc(OCC(=O)N[C@H]2CCCC[C@H]2C)c1 9482614 GHPKEPVTBWMKNJ-DOMZBBRYSA-N 305.374 2.547 0 40 DFAB O=C(NC[C@@H]1CSCCS1)Nc1ccc(F)c(F)c1 75109146 HOHQBWBARWOGGW-SECBINFHSA-N 304.387 2.935 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 83830261 AQODQOPRGAHWMQ-GFCCVEGCSA-N 318.446 2.686 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 23387904 SHIRGSXDGQCUHM-VXGBXAGGSA-N 317.355 2.817 0 40 DFAB CCN(CC)CC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 71910580 UGVVPOKMFFGUBF-QGZVFWFLSA-N 303.450 2.758 0 40 DFAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cs1 105631446 KAGAVILVRISQEU-OFQRWUPVSA-N 319.474 2.532 0 40 DFAB C[C@H]1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)C[C@H](C)O1 20573576 LZXNLEXDEHQBQT-UWVGGRQHSA-N 323.776 2.761 0 40 DFAB C[C@@H](NC(=O)CCn1cncn1)c1ccc(Cl)cc1Cl 25242827 BFTIACMUAHOOHQ-SECBINFHSA-N 313.188 2.852 0 40 DFAB O=C(NCCOc1ccc(Cl)cc1)NCCc1cccnc1 12545941 WITQQPYKJUXMCY-UHFFFAOYSA-N 319.792 2.656 0 40 DFAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1 57177437 BERTVRQUNWVTAU-GOSISDBHSA-N 323.440 2.918 0 40 DFAB CCCCNS(=O)(=O)c1cnn(-c2ccccc2)c1Cl 3156922 CCUOPIKDIRKBAI-UHFFFAOYSA-N 313.810 2.604 0 40 DFAB O=C(N[C@H](c1ccccn1)C1CCCC1)N[C@H]1C[C@H]2CC[C@H]1O2 108106085 CTEQKIDKPSXOJK-XBVQOTNRSA-N 315.417 2.932 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)COc1ccc2ccccc2c1 47931598 HNRVVRBQQJAFBV-AWEZNQCLSA-N 309.369 2.620 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 27337565 UEADEPVBIDPPMM-UONOGXRCSA-N 312.413 2.802 0 40 DFAB Nc1nccnc1C(=O)Nc1ccc(N2CCCCCC2)cc1 10193539 KOOGVHQFMOCMEE-UHFFFAOYSA-N 311.389 2.692 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1F 3396843 INDDFHGIAAWZKB-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Cn2cccn2)CC1 68215482 ZGUHAOZOIICZAK-UHFFFAOYSA-N 320.396 2.989 0 40 DFAB c1nc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c2ccsc2n1 58279949 RFUPYXBTWDVEJX-OCCSQVGLSA-N 318.446 2.604 0 40 DFAB COc1ccccc1S[C@@H](C)C(=O)NC(=O)NC(C)(C)C 58269165 HWPQREVEPVTAIQ-JTQLQIEISA-N 310.419 2.800 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(O)cc1O 3332894 RGIHBDBQSFUPDZ-UHFFFAOYSA-N 316.309 2.666 0 40 DFAB COc1cccc(NC(=O)COc2ncnc3ccccc23)c1 3525346 YTVRETZESDFINV-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(F)c1 7940353 JBISXGNMUMJGEL-UHFFFAOYSA-N 314.316 2.580 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccco2)c1C 8197780 CCTRRDOYBZFFCE-LBPRGKRZSA-N 318.373 2.714 0 40 DFAB CCOc1ccccc1OCCN1C(=O)c2ccccc2C1=O 5167990 LDRAPSNCWNNLQS-UHFFFAOYSA-N 311.337 2.760 0 40 DFAB C[C@@H]1CCc2c(C(=O)NCCNc3cnccn3)csc2C1 65414258 QWLLFWYWWVMVDE-LLVKDONJSA-N 316.430 2.505 0 40 DFAB O=c1n(CN2CCC[C@H]2c2ccccc2)nc2n1CCCCC2 14163693 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CCc1nn(C)cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 92439618 ZMUVNWOYNFXARU-SWLSCSKDSA-N 303.793 2.922 0 40 DFAB COC[C@@H]1CCCN(CC2(CN3CCOCC3)CCCCC2)C1 93337746 XJEBYNIDXSTIDG-GOSISDBHSA-N 324.509 2.628 0 40 DFAB CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 89840271 MCCBNLZZNDMECI-JLCFBVMHSA-N 324.446 2.703 0 40 DFAB COc1ccc(CC[C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 71836958 VAGVOEXCYSLHQK-KSSFIOAISA-N 312.413 2.833 0 40 DFAB Cc1cc(C(=O)Nc2ccn(CCCN3CCCC3)n2)c(C)o1 72290132 SYSZRWGSZMGRJH-UHFFFAOYSA-N 316.405 2.831 0 40 DFAB COc1c([C@H]2CCCN2Cc2cnc(C)s2)c(C)nn1C 72253788 UXRLYAJGIKUGGI-CYBMUJFWSA-N 306.435 2.839 0 40 DFAB COC(=O)c1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)oc1C 97034994 AREMRIHWIJNXFM-HZPDHXFCSA-N 317.389 2.845 0 40 DFAB CCS(=O)(=O)c1cccc(NC(=O)N[C@@H]2C=CCCC2)c1 97014371 XWVLCTVPJNIGJF-GFCCVEGCSA-N 308.403 2.710 0 40 DFAB C[C@H]1C[C@@H](Nc2ccc(CN3CCCC3=O)cc2)[C@H](C)CN1C 97037304 VTXATRQPTBVQMA-RVKKMQEKSA-N 315.461 2.950 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CCOC1 97107073 PAJNNMWSQRESSB-SECBINFHSA-N 312.163 2.627 0 40 DFAB C[C@@H]1CCCN(CCN2CCN(c3ccc(F)cc3)CC2)C1 72312031 AIAHIMJENGYSDN-MRXNPFEDSA-N 305.441 2.680 0 40 DFAB C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2ccccc2)CO1 89930152 XYRTWGZTCYRCJJ-MLGOLLRUSA-N 311.385 2.501 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 89917486 LWMZVJWMTZIHJA-UTSKFRMZSA-N 314.429 2.903 0 40 DFAB CCC[C@H](CCO)CNC(=O)c1c(C(C)C)nn(C)c1Cl 84740416 NIKIKBMINLQPQM-LLVKDONJSA-N 315.845 2.725 0 40 DFAB CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 84740755 UDGJIQCMXLVUGY-CYBMUJFWSA-N 315.417 2.909 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2csc(COC)n2)C12CCCC2 76067964 QGYPQHBNVQSBOZ-STQMWFEESA-N 324.446 2.757 0 40 DFAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCSC1 95959004 UGAJSOOMWGKKLW-UHFFFAOYSA-N 317.389 2.647 0 40 DFAB O=C(O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 95969441 DDJGWZVMNUXAHJ-MNOVXSKESA-N 307.312 2.678 0 40 DFAB Cc1ccc(CN([C@@H]2CCc3ccccc32)S(N)(=O)=O)cc1 79274112 JNZIZAKLQCDXEE-QGZVFWFLSA-N 316.426 2.688 0 40 DFAB COC(=O)c1cc(CC(=O)c2cc(C)c(O)cc2O)c(C)o1 26571859 BVJSTBAHGZVJES-UHFFFAOYSA-N 304.298 2.520 0 40 DFAB O=C(NCc1nc2c(s1)COCC2)N[C@@H]1CC12CCCCC2 1548451629 HVBJBEPOCQXZFB-CYBMUJFWSA-N 321.446 2.738 0 40 DFAB Cc1cc(O)ccc1CC(=O)N1CC[C@@H](Oc2ccccc2)C1 1548730583 JHJMTJWTVCXVCK-GOSISDBHSA-N 311.381 2.923 0 40 DFAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCc2c1cnn2C 31593987 OEQOXMNTLAOWAS-CYBMUJFWSA-N 319.792 2.890 0 40 DFAB CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCCC2)C[C@H]1C(C)C 30881552 BNSMMNRZIPYKAB-BZSNNMDCSA-N 320.477 2.990 0 40 DFAB biogenic,in-vitro Cc1cc(Br)cc(C(=O)N[C@H](C)c2cnn(C)c2)c1 128174855 BTKMZBHXYUEQBX-SNVBAGLBSA-N 322.206 2.982 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]1CC2 123395694 IFRIPYPBJCUNAG-OTMXHXQLSA-N 308.462 2.866 0 40 DFAB Cc1ncsc1COC(=O)c1ccc(N2CCOC2=O)cc1 78984925 QSXOGKLHCLFQKY-UHFFFAOYSA-N 318.354 2.765 0 40 DFAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccncc1F)c1ccccc1 79645847 UQAWMKCTNDAJFF-XHDPSFHLSA-N 316.332 2.501 0 40 DFAB Cc1cc(-c2nn3c(-c4ccsc4)nnc3s2)n(C)n1 71280728 GLQJOAWFNPHLTA-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB C[C@H](Cc1ccccc1F)NC1CCN(C[C@@H]2CCOC2)CC1 188037718 ULQKLXBNQFWOSW-CVEARBPZSA-N 320.452 2.847 0 40 DFAB O=C1C[C@@](O)(C(=O)c2ccc(Cl)cc2)c2ccccc2N1 226820155 UJKRIXBJDJKBRV-INIZCTEOSA-N 301.729 2.753 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=S)NC[C@H]2CCCO2)c1 225155487 YEJGLPRROAJLSC-SECBINFHSA-N 314.794 2.504 0 40 DFAB CC(C)c1cc(-c2nn3c(C(F)(F)F)nnc3s2)n(C)n1 44894176 TYGDNSYWZTZFEN-UHFFFAOYSA-N 316.312 2.729 0 40 DFAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)c1 98087064 ADADVRFTGONQBI-CYBMUJFWSA-N 312.369 2.808 0 40 DFAB c1cncc(OC[C@@H]2CN(Cc3ccco3)Cc3nccn3C2)c1 96187943 DGAFXMZGKZBECO-OAHLLOKOSA-N 324.384 2.582 0 40 DFAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cn(C)nc1C 96415419 ZEPXTOWUYPDRKN-WBMJQRKESA-N 315.421 2.977 0 40 DFAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ccn[nH]2)n(C)n1 257293724 QQWLOAJOKPLBDU-OAHLLOKOSA-N 315.421 2.709 0 40 DFAB CO[C@H]1CN(C(=O)c2c(C(C)C)noc2C)CC[C@@]12CCCO2 257317100 VIKQVBDPUCNFHP-GUYCJALGSA-N 322.405 2.517 0 40 DFAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1 253474979 MMAMOKUNVWLLFP-PYUISTEWSA-N 324.380 2.783 0 40 DFAB C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)[C@@H](c2ccccc2)CO1 608256914 QHLQHIYUVGQAOY-SUMWQHHRSA-N 323.396 2.956 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(=O)O)ccc1F 262263211 ZCNPTCSLYXKCBX-QMMMGPOBSA-N 319.336 2.616 0 40 DFAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccccc1Cl 85558962 DDWAAIROSCOTOJ-HNNXBMFYSA-N 317.772 2.738 0 40 DFAB COc1ccccc1C[C@@H](NC(=O)N1CCCCO1)C(C)C 283754661 ZRCABLRHKHPVPF-OAHLLOKOSA-N 306.406 2.999 0 40 DFAB CCN(Cc1ccccc1Cl)[C@]1(C)CCS(=O)(=O)C1 575421839 RYULYYPNHVMZMZ-CQSZACIVSA-N 301.839 2.739 0 40 DFAB Cc1ccc(CN2CC[C@](O)(COc3cccc(F)c3)C2)cn1 585269210 LTBUMQTYPJLUBL-GOSISDBHSA-N 316.376 2.545 0 40 DFAB CCOCCc1cnc2n1CCN(C(=O)c1occc1C)[C@H]2C 585097935 PMZVZQZTVXCGDM-ZDUSSCGKSA-N 317.389 2.581 0 40 DFAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 66059738 OHVDDJQMUKKYGX-SECBINFHSA-N 304.173 2.620 0 40 DFAB CC(C)Oc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 66433577 AEQQZHNUWJFCEE-NSHDSACASA-N 320.364 2.562 0 40 DFAB COc1cccc(-c2ocnc2C(=O)NCCc2ccco2)c1 12144666 YSWXORVKEMDXRD-UHFFFAOYSA-N 312.325 2.916 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2cc(F)ccc2F)CC1 13265817 WGHKLGQPHOJESB-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)O)c2C1 13362677 NEFRGOAUOQLKMN-UHFFFAOYSA-N 311.337 2.691 0 40 DFAB CCCCN1C(=O)/C(=C\c2cccc(OC)c2OC)NC1=S 14245842 FISDPLIOYWSOHO-ZRDIBKRKSA-N 320.414 2.562 0 40 DFAB Cc1cccc(C(=O)NCC(=O)N[C@@H](C)CCc2ccccc2)c1 15563799 XJWCGWDPBOOIKR-INIZCTEOSA-N 324.424 2.862 0 40 DFAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)c1cncnc1 19338121 DLIZPPYBFVTEPX-HNNXBMFYSA-N 310.382 2.647 0 40 DFAB CC(C)n1cccc1C(=O)O[C@H]1CCC[C@H](S(C)(=O)=O)C1 156319506 KQKQSSIJMSURGT-STQMWFEESA-N 313.419 2.582 0 40 DFAB Cc1noc(C2CN(Cc3cc(Br)cs3)C2)n1 49482538 NIVDAAJLUHBBJE-UHFFFAOYSA-N 314.208 2.801 0 40 DFAB COc1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1OC 7264934 MEFYOCVPWQUMQP-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB O=C(CNC(=O)c1ccoc1)Nc1cc(Cl)ccc1Cl 16201489 ZTDISZHMDFOGAV-UHFFFAOYSA-N 313.140 2.955 0 40 DFAB CC(C)c1nnc(N2CCC(COc3cnccn3)CC2)s1 1889098186 VVNCKILWQXQZMM-UHFFFAOYSA-N 319.434 2.747 0 40 DFAB O=C(N[C@H]1CCCC2(C1)OCCO2)C1(c2ccccc2)CC1 253425752 DGVQQWQYFDASIX-HNNXBMFYSA-N 301.386 2.520 0 40 DFAB O=C(NCCc1ccc(Br)s1)NCC1CC1 25089327 ORQYDYPOZWMMPS-UHFFFAOYSA-N 303.225 2.762 0 40 DFAB CN1CC[C@@H]2[C@@H](CCCCc3ccccc3OCC(=O)N2C)C1 2037844329 TUPBTQDUAIAOEO-DLBZAZTESA-N 316.445 2.571 0 40 DFAB CC(C)N1CCO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)CC[C@@H]2C1 1565545566 IWJBYZZEHNSPCO-LMMKCTJWSA-N 320.477 2.691 0 40 DFAB CC(=O)C[C@@H]1OC(=O)C(Oc2ccccc2)=C1Br 354648 CVRDYHQXEJUWBH-JTQLQIEISA-N 311.131 2.576 0 40 DFAB COC[C@](O)(CNC(=O)c1cccc(Cl)c1)c1ccccc1 575607665 NDDOPSFRXYIXAR-QGZVFWFLSA-N 319.788 2.604 0 40 DFAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 40162033 KPFANIGCVFWBCA-HOCLYGCPSA-N 314.429 2.697 0 40 DFAB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(Cl)cc1 182911 CYEBDVNFAMOBLE-UHFFFAOYSA-N 313.744 2.742 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 176065 JDLGLCFUMNRVCY-INIZCTEOSA-N 324.380 2.987 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 70037829 OJHKAGGSIOJPMU-SJORKVTESA-N 324.428 2.776 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1 122915 RTVPZGFWWNMDJL-UHFFFAOYSA-N 321.402 2.706 0 40 DFAB CCc1cc2c(=O)n([C@H](CC)C(=O)OC(C)C)cnc2s1 148820 YRROJEVAMQYBDT-GFCCVEGCSA-N 308.403 2.923 0 40 DFAB Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)c1 414942 GTVUZZVJLAZBFT-UHFFFAOYSA-N 324.409 2.820 0 40 DFAB C[C@H](NC(=O)CC(C)(C)C)c1ccccc1NS(C)(=O)=O 45780503 UUFQUOLFNNCYAI-NSHDSACASA-N 312.435 2.672 0 40 DFAB CC(C)(C)c1nc(CN[C@H](C(N)=O)c2ccccc2)cs1 51187534 IHTSCUVLBUIQAU-ZDUSSCGKSA-N 303.431 2.757 0 40 DFAB CCCNC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12 2629818 VSPWTZRSMPFXRC-UHFFFAOYSA-N 314.385 2.789 0 40 DFAB CN(CC1CCCCC1)C(=O)c1cccc(N2CCNC2=O)c1 45881051 RWXRUSULBYJGMM-UHFFFAOYSA-N 315.417 2.869 0 40 DFAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2S(=O)(=O)Nc1ccccc1 4706534 SUNRZRFCJHTXTD-IOASZLSFSA-N 307.415 2.822 0 40 DFAB CCOC(=O)c1c(CN2CCOCC2)nc2ccccc2c1C 32651979 VGFQYSPTSNXFQC-UHFFFAOYSA-N 314.385 2.552 0 40 DFAB O=C(COC(=O)CCc1ccco1)Nc1cccc2ncccc12 10268355 CMQQDPJBYBDJRO-UHFFFAOYSA-N 324.336 2.942 0 40 DFAB CC1(C)COc2ccc(NC(=O)c3ccco3)cc2NC1=O 8959874 VLXITWGXNKCPQO-UHFFFAOYSA-N 300.314 2.889 0 40 DFAB CCOc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 10630628 KTVFDWJAQIGERU-UHFFFAOYSA-N 311.337 2.760 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 83897691 HNKNSVPDWJQQBA-BFHYXJOUSA-N 306.410 2.604 0 40 DFAB CC(C)Oc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1 53086825 ZEMNAEKIRHJUEU-UHFFFAOYSA-N 310.353 2.525 0 40 DFAB COc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1NC(C)=O 71916680 SAUBLZFUBKLYEH-HNNXBMFYSA-N 310.353 2.932 0 40 DFAB Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)nn1C 2786262 LGEZHDPAXYISLJ-UHFFFAOYSA-N 310.386 2.537 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC(C1CC1)C1CC1 75123292 IDXHIUYTTNLKTC-UHFFFAOYSA-N 315.295 2.704 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)Oc3ccccc3)cc12 22472846 ZGQMLWFRNXCCTC-LBPRGKRZSA-N 310.357 2.683 0 40 DFAB CCCN1CCC(NC(=O)Cc2cccc3cccnc23)CC1 42391516 CJDMYMLOFMYDQC-UHFFFAOYSA-N 311.429 2.768 0 40 DFAB CC(C)CCO[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 75107276 AYHKFWXOMNCFBK-ZDUSSCGKSA-N 305.374 2.693 0 40 DFAB O=C(NCc1ccco1)c1nc(-c2ccc3cc[nH]c3c2)no1 12391676 DPRBVBJBQHBQNR-UHFFFAOYSA-N 308.297 2.741 0 40 DFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncccc3O)c12 24469358 VIBBIFXPBGPUOD-UHFFFAOYSA-N 323.356 2.507 0 40 DFAB CCO[C@@H](CC)C(=O)NCC1CCN(Cc2cccs2)CC1 61567086 ULHQHEXNPSBBFV-INIZCTEOSA-N 324.490 2.891 0 40 DFAB COC(=O)c1cc(CN(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)oc1C 105939683 HIGLLLHNRIDKJT-HUBLWGQQSA-N 305.374 2.769 0 40 DFAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccnc2)cc1 24912456 VRWDRHXGFOPFJL-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB O=c1ccc2ccc(OCCn3c(=O)oc4ccccc43)cc2o1 26008267 WLOVNXCEWVZGLP-UHFFFAOYSA-N 323.304 2.780 0 40 DFAB CCN(C(=O)COC(=O)c1cccnc1Cl)c1ccccc1 3256174 LWPHDKGJGNQPIF-UHFFFAOYSA-N 318.760 2.945 0 40 DFAB CONC(=O)c1oc2ccccc2c1CSc1ncccn1 58293200 GASRRARLCSAQLB-UHFFFAOYSA-N 315.354 2.806 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(Br)cc1C 58280032 NSPRBRWWKFNOIL-VIFPVBQESA-N 301.184 2.914 0 40 DFAB CCn1cnnc1-c1cccc(NC(=O)NCc2ccoc2)c1 58308203 DJDSDWNZUAJPAB-UHFFFAOYSA-N 311.345 2.880 0 40 DFAB CCC(=O)c1ccc(OCc2cccc(OCC(N)=O)c2)cc1 58367455 GQCOTSDDMHYQNY-UHFFFAOYSA-N 313.353 2.722 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)c1 58304714 VGYOMTMUCZPPCC-JZXOWHBKSA-N 316.445 2.709 0 40 DFAB Cc1ccc(-c2nnn([C@H](C)c3nc(C(C)(C)C)no3)n2)cc1 58407027 RHBWCPIXFHMRNV-LLVKDONJSA-N 312.377 2.938 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 48234134 BQDMNMISTWZUIH-SECBINFHSA-N 303.284 2.896 0 40 DFAB CCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3608077 POGFQVQIXJJDIR-UHFFFAOYSA-N 323.352 2.585 0 40 DFAB Cc1cccc(OCC(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 13224340 IVWMXEAGVKFKQO-INIZCTEOSA-N 313.353 2.706 0 40 DFAB COc1ccc2c(c1)CN(CC(=O)NCc1ccc(C)cc1)CC2 60042431 GKIHOKXYJNEEHV-UHFFFAOYSA-N 324.424 2.678 0 40 DFAB COc1ccc(C)cc1C(=O)N[C@H](CC(=O)O)c1ccccc1 13427899 KAKISIWNWXKLTA-OAHLLOKOSA-N 313.353 2.949 0 40 DFAB COc1cccc(CN2CCC[C@H](OC)C2)c1OC(F)F 91772588 GEXYKBSOOFSRLR-LBPRGKRZSA-N 301.333 2.907 0 40 DFAB Cc1nc(C(=O)N(CC(F)F)C2CC2)nn1-c1ccc(F)cc1 69622029 ZTMVWYKCSHSMTC-UHFFFAOYSA-N 324.306 2.585 0 40 DFAB O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccco1 69663120 KGLIOSVHDKVDFI-UHFFFAOYSA-N 317.732 2.956 0 40 DFAB CCN(CCO)C(=O)c1csc(Nc2ccc(C)cc2)n1 4675358 LDVRFSFBQYWHJR-UHFFFAOYSA-N 305.403 2.650 0 40 DFAB Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1ccccc1 66087660 RJUXZGRLYYJWFJ-UHFFFAOYSA-N 307.357 2.856 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cccn2)c1C 69949896 WIDFEEMNOQZVQW-HNNXBMFYSA-N 300.406 2.626 0 40 DFAB O=C1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccccc21 6662591 SBVYUTOVNBJBJS-UHFFFAOYSA-N 315.712 2.798 0 40 DFAB COc1ccc(C(=O)Oc2cc(=O)n(C)c3ccccc23)cc1 6666613 AQQSHWBFNZRFFQ-UHFFFAOYSA-N 309.321 2.766 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C[C@H](O)c2cccc(F)c2)c1 69924824 UXLATPQNUYUQEL-IRXDYDNUSA-N 303.381 2.529 0 40 DFAB CC(=O)c1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 14737799 UFGULTAGYYNLGX-UHFFFAOYSA-N 308.337 2.785 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 4835374 YMSGJQGWUFEDBM-UHFFFAOYSA-N 315.398 2.514 0 40 DFAB Cc1cc(N2CCC[C@H](OC(=O)c3ccco3)C2)nc(C)n1 66731095 NUZBYVGEYVICKB-ZDUSSCGKSA-N 301.346 2.512 0 40 DFAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C1=COCCC1 66802802 FDRHSMPQODGPAB-UHFFFAOYSA-N 324.384 2.914 0 40 DFAB O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)CCC2 7376710 IARYSLCZSJCPPN-UHFFFAOYSA-N 305.374 2.793 0 40 DFAB Cc1nnc(SCC(=O)NCC2CCCCC2)n1C1CC1 7617221 NCSLTWBZUCVUMM-UHFFFAOYSA-N 308.451 2.710 0 40 DFAB Fc1ccc2ncnc(Nc3cnn(C[C@@H]4CCCO4)c3)c2c1 92612627 SLOBVSIOGKWQTH-ZDUSSCGKSA-N 313.336 2.888 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(C)c2C)c1 8051956 YXDDLMAIMFBGBD-UHFFFAOYSA-N 300.358 2.989 0 40 DFAB COC(=O)[C@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2O1 16750060 OXBDKEFUKGXBIL-FMQWLBJXSA-N 323.348 2.667 0 40 DFAB CC(C)c1nc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)no1 96000805 IRWNHJHARJAAJM-ZDUSSCGKSA-N 319.336 2.546 0 40 DFAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)c1ccccc1 9365220 UUFDLOMJKINULE-OAHLLOKOSA-N 300.745 2.784 0 40 DFAB CCCc1noc2ncc(C(=O)N3CCO[C@H]4CCC[C@@H]43)cc12 71827083 WKFSDNMHPBOSJO-GJZGRUSLSA-N 315.373 2.569 0 40 DFAB CCn1nc(C)cc1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 72290156 ALWOWFIVFHZHCA-UHFFFAOYSA-N 321.764 2.904 0 40 DFAB COCc1ccccc1NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 97013553 GEKOUMQFWJPIPZ-OCCSQVGLSA-N 303.406 2.580 0 40 DFAB COc1ccc(CN(C(=O)[C@@H]2CCOC2)C(C)(C)C)c(OC)c1 97165002 YTSIUJGFVKEWBN-CQSZACIVSA-N 321.417 2.867 0 40 DFAB C[S@@](=O)C[C@H](NC(=O)Nc1cccs1)c1ccccc1 72306121 ARVHMJJRUJRIAL-YUNKPMOVSA-N 308.428 2.989 0 40 DFAB C[C@](NC(=O)c1cccs1)(C(N)=O)c1cccc(Cl)c1 89905195 ORUOQSSLEDELSO-CQSZACIVSA-N 308.790 2.532 0 40 DFAB CC(C)[C@H](OC(=O)c1ccnc(F)c1)C(=O)Nc1ccc(Cl)cc1 97370221 DEJLRCVKMXLNHK-UHFFFAOYSA-N 350.777 3.694 0 40 DFAB CC[C@@](C)(CNC(=O)C(F)(F)c1ccc(OC)cc1)[C@H](C)O 95440049 DFDONNKIVZIGAY-NHYWBVRUSA-N 315.360 2.700 0 40 DFAB Cc1ccnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 95412256 GUKNGPINEQQHEZ-KGLIPLIRSA-N 320.437 2.915 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2Oc3ccccc3[C@H]2C)no1 76043809 LSJHSFNPRSKHGN-DGFSRKRXSA-N 313.357 2.606 0 40 DFAB COc1ccc([C@H](CC(=O)OCCC(C)C)NC(C)=O)cc1 73412257 DPMKHELAYOQODF-INIZCTEOSA-N 307.390 2.852 0 40 DFAB CN(Cc1ncon1)C(=O)C1(c2cccs2)CCCCC1 95993593 HEDFXCVSQRVZTK-UHFFFAOYSA-N 305.403 2.992 0 40 DFAB CN(C)c1nccc(N(C)Cc2nc3c(s2)CCCC3)n1 95963239 ZTYPRPKKHHQNKO-UHFFFAOYSA-N 303.435 2.514 0 40 DFAB COc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1O 77404695 MGQJBNDXESCDQL-MRXNPFEDSA-N 324.384 2.523 0 40 DFAB COc1ccc(OC)c(CNCc2c(C)nc3ccccn23)c1 75093137 QLUVYXRSHAFQBP-UHFFFAOYSA-N 311.385 2.950 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc32)cc1 78925354 ZUAZXMLHLDINSW-CYBMUJFWSA-N 308.385 2.871 0 40 DFAB O=C(NC(=O)C(F)(F)F)Nc1ccc(Br)cc1 107981 BCYZIKMEVFFTBZ-UHFFFAOYSA-N 311.057 2.660 0 40 DFAB biogenic CC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)nn2)CC1 30823057 RABXXTMSJJHLCU-UHFFFAOYSA-N 312.801 2.624 0 40 DFAB O=S(=O)(c1ccccc1NCc1cccnc1)C(F)(F)F 35233193 CIBRQZQOEUJZKU-UHFFFAOYSA-N 316.304 2.987 0 40 DFAB O=S(=O)(C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 71911107 ISXUGHFJOQXQKP-INIZCTEOSA-N 321.398 2.795 0 40 DFAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCCC2)CC1 71903995 ZDVZQGMJVYUCIL-QZTJIDSGSA-N 313.445 2.520 0 40 DFAB COc1ccc(/C=C2/N[C@@H](c3ccccc3)OC2=O)cc1OC 31750629 FBDVKVMDOVNBFI-IDKBZEPQSA-N 311.337 2.890 0 40 DFAB Cc1nc(-c2nnc(NC(=O)Cc3cccs3)o2)cs1 56904236 PTNCMHVMAHVOHE-UHFFFAOYSA-N 306.372 2.744 0 40 DFAB CC(C)n1cc(CCCC(=O)Nc2nnn[nH]2)c2ccccc21 72406161 WKKRYOJZYPTZNB-UHFFFAOYSA-N 312.377 2.697 0 40 DFAB N[C@H]1C[C@@H](C(=O)N2CCC[C@H](CCCc3ccccc3)C2)C1 565659885 QFWICWWVIKRBQU-OKZBNKHCSA-N 300.446 2.985 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)c1 72227749 RJJQTIYRTLKHIC-CABCVRRESA-N 302.761 2.764 0 40 DFAB NC[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574848 BVNUZPVOFBTCNC-BZUAXINKSA-N 321.829 2.855 0 40 DFAB CCCN(Cc1cnn(C)c1)C(=O)Cc1ccc(F)c(F)c1 87256047 OUTPMSKFOVHHDO-UHFFFAOYSA-N 307.344 2.680 0 40 DFAB COc1ccc(CCCN2CCO[C@H]([C@@H]3CCCO3)C2)cc1F 195573065 QTBBXNDOXGLRRA-ROUUACIJSA-N 323.408 2.647 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195530448 DASWPRHZFIZMDP-BFQNTYOBSA-N 308.447 2.549 0 40 DFAB O=C(NCCCc1ccccc1F)c1ccc2c(c1)OCO2 223273305 QMOIYKJNBRBJKW-UHFFFAOYSA-N 301.317 2.917 0 40 DFAB O=C(NCCc1ccccc1)N1CCC(Cn2ccnc2)CC1 75154689 FUKXGBNHAGHJGO-UHFFFAOYSA-N 312.417 2.547 0 40 DFAB CC[C@@H](C(=O)N1CCC[C@H]1C(C)(C)O)c1ccc(OC)cc1 192548124 KKEAZODEYSYSII-CVEARBPZSA-N 305.418 2.951 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](CN(C)C)C2)cc1 195570337 VHYBENLBCSKTKF-CABCVRRESA-N 319.449 2.739 0 40 DFAB O=C(O)C[C@@H](CC(=O)Nc1ccon1)c1ccc(Cl)cc1 223107918 HIFSVPBQLSHLAX-SNVBAGLBSA-N 308.721 2.915 0 40 DFAB O=C(c1ccc(F)cc1O)N1CCCN(C2CCCC2)CC1 195544776 KPDBYYLSEPALEM-UHFFFAOYSA-N 306.381 2.622 0 40 DFAB CCS[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 96478815 RWWRSJGLNWHOCS-JGGQBBKZSA-N 317.462 2.987 0 40 DFAB CC(C)(C)N[C@@H]1COC2(CCN(Cc3ccccn3)CC2)C1 96074129 CSJOOBLGTBPQOD-INIZCTEOSA-N 303.450 2.593 0 40 DFAB CSCc1cccnc1C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 581414122 LIXRYXGOPODQAD-MRVWCRGKSA-N 306.431 2.632 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)CC2)OC1 95408241 RBBMFNUYYFVJMI-ZNMIVQPWSA-N 307.434 2.814 0 40 DFAB C[S@@](=O)CCNC(=O)Nc1cccc(N2CCCCCC2)c1 96435191 BZGRKQHWTAENJC-QFIPXVFZSA-N 323.462 2.567 0 40 DFAB CS[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437563 RZBNYWOIYNCJEJ-HOTGVXAUSA-N 321.490 2.832 0 40 DFAB c1ccc(O[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96107824 OOHYELSTXISOQV-WBVHZDCISA-N 316.426 2.956 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)NC[C@H]2CCC[C@@H]2O)c1 96434813 OLBYOGSXSLGJGB-CJNGLKHVSA-N 305.422 2.814 0 40 DFAB COC[C@@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 245339187 RCJIZZULUBLDIV-WBVHZDCISA-N 302.418 2.540 0 40 DFAB COCC[C@@H]1CCOC2(C1)CN(C(=O)c1ccc(Cl)cc1)C2 247849608 ODNKQUTZTKLWTE-CYBMUJFWSA-N 323.820 2.998 0 40 DFAB Fc1cccc(C[C@H]2CC3(CO2)CN(C2CCOCC2)C3)c1 257219433 DGTGWHWROOBJFR-KRWDZBQOSA-N 305.393 2.638 0 40 DFAB Cc1c(O)nc2ccc(I)cc2c1O 606299160 RKDDZKBIZWXZSR-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB CC1(O)CC(C(=O)Nc2nc(-c3cccc(O)c3)cs2)C1 583065194 KTECBFOIASGUEI-UHFFFAOYSA-N 304.371 2.615 0 40 DFAB CCC(C)(C)NC(=O)COc1cccc(Oc2ncccn2)c1 65576114 GRRJUJDQCCJGAA-UHFFFAOYSA-N 315.373 2.953 0 40 DFAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(=O)n(CCOc2ccccc2)n1 97370636 OYNTVYIXHJHITQ-NSHDSACASA-N 423.444 3.105 0 40 DFAB COc1ccccc1-c1noc([C@H](C)NC(=O)N(C)C2CC2)n1 80559425 DANBQWOUGHCQMW-JTQLQIEISA-N 316.361 2.610 0 40 DFAB O=C1[C@@H](NCc2cncs2)CCCN1c1ccccc1F 90227752 ZBSYRJHCDAYIPR-ZDUSSCGKSA-N 305.378 2.567 0 40 DFAB Cc1nsc(N2CCC(COc3ncccc3C)CC2)n1 585526572 LEEYMQSQAMOEFJ-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB O=C(O)c1cn([C]2C[C@@H]2F)c2c(Cl)c(F)c(F)cc2c1=O 1560406285 ZXYRFEPTTFVJDM-LURJTMIESA-N 316.642 2.753 0 40 DFAB Cc1cc(C)c(C)c(SCc2cc(=O)n(C)c(=O)n2C)c1C 11289859 SUIJIDYGGQVKMV-UHFFFAOYSA-N 318.442 2.610 0 40 DFAB COc1ccc2c(=O)c(NC(=O)N3CCCCC3)c[nH]c2c1 13566005 ZOMKUNSYMUECOB-UHFFFAOYSA-N 301.346 2.555 0 40 DFAB CCCCCn1c(CCCNC(=O)COC)nc2ccccc21 16776823 RNHKDNWFJOOMMK-UHFFFAOYSA-N 317.433 2.922 0 40 DFAB Nc1nc(=O)c2c([nH]1)C[C@H](c1ccccc1)[C@H]2c1ccccc1 17328736 SBDMJDUDXQFJHP-GDBMZVCRSA-N 303.365 2.824 0 40 DFAB CCn1nc(C)c([C@H](C)NC(=O)[C@H](C)n2cc(Cl)cn2)c1C 19523724 MJCLFOBMZRMDOD-CABZTGNLSA-N 323.828 2.808 0 40 DFAB CSCCNC(=O)C1(C)CCN(Cc2ccccc2)CC1 163005533 YZFVKUARVILSAZ-UHFFFAOYSA-N 306.475 2.768 0 40 DFAB Cn1cccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 4144502 ZOFLFLDYOZJEPV-UHFFFAOYSA-N 307.733 2.902 0 40 DFAB Cc1ccc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@@H]3C2)s1 1888856615 KPLCRUPQXGHTDG-RYUDHWBXSA-N 319.455 2.721 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 1848352188 XCBRPKHESYTHRY-AWEZNQCLSA-N 320.396 2.825 0 40 DFAB C[C@H](N(C)C(=O)CCn1cnc2sccc2c1=O)C(C)(C)C 30421748 BBRKBVXDZGUAOD-NSHDSACASA-N 321.446 2.741 0 40 DFAB O=C(Nc1cc(F)ccc1F)c1n[nH]cc1Br 28233606 VORDKYAKKPRQBT-UHFFFAOYSA-N 302.078 2.703 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CC3CC3)C2)cc1C 2037913032 MCHKUWCWACAICD-LJQANCHMSA-N 317.429 2.836 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 1475557 VXBYYFUHRMMQNA-KDOFPFPSSA-N 313.397 2.980 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)COc3ccc(C)cc3)cc21 13696079 RWVFCOBOIRJMKP-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB O=S(=O)(CCC(F)(F)F)NCc1ccc(-c2ccoc2)o1 575611548 WLXXVMCJPBOSAU-UHFFFAOYSA-N 323.292 2.911 0 40 DFAB Cc1csc(C(=O)N2CCC(Nc3ccncn3)CC2)c1 585554443 XOYUQVKUCGEDIE-UHFFFAOYSA-N 302.403 2.563 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](COc3nccs3)C2)n1 2298182820 MKUDVRQPMJJPAI-ZDUSSCGKSA-N 304.419 2.845 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccccc2OCC)CC1 5593126 CUZHOMLTTNCQAZ-UHFFFAOYSA-N 305.374 2.501 0 40 DFAB NCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 54555 BAEXLNPIARGAGN-GOSISDBHSA-N 318.380 2.581 0 40 DFAB COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2O)cc1 403212 LHBHZALHFIQJGJ-GJZGRUSLSA-N 301.367 2.842 0 40 DFAB COc1c(Cl)cc(C(=O)NC(C)(C)C(=O)O)cc1Cl 40909892 VPVYNQSGNPJDFT-UHFFFAOYSA-N 306.145 2.595 0 40 DFAB CN1N=C(C(=O)Nc2ccc(Nc3ccccc3)cc2)CCC1=O 21007164 NFRIAFNLDRGWLY-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCO[C@@H]2CCCC[C@@H]21 46483169 RHOXBFPXZCLCIJ-LSDHHAIUSA-N 313.357 2.520 0 40 DFAB CCc1cccc(NC(=O)NCc2ccccc2OCCO)c1 76021394 AFCZRVKCNCTPHL-UHFFFAOYSA-N 314.385 2.942 0 40 DFAB C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(Cl)s1 32817607 ALZTVJUZRIOGRI-QMMMGPOBSA-N 302.827 2.741 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 78895626 AELMALYIYGXQEV-PIGZYNQJSA-N 317.408 2.566 0 40 DFAB CCOC(=O)CC1CCN(C(=O)Cc2cccc(C)c2)CC1 102635028 WNUQXGIKRMDLRI-UHFFFAOYSA-N 303.402 2.729 0 40 DFAB CCc1nnc2sc(-c3cc(N)c(OC)c(Cl)c3)nn12 20134771 PHJSASZSXYGWKY-UHFFFAOYSA-N 309.782 2.659 0 40 DFAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)c1ccc(F)cc1 7429988 ACLRPCKBIWLXOY-NSHDSACASA-N 302.301 2.746 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2NC1=O 103318912 WEUYOEPSJJLMCY-ZPFDUUQYSA-N 300.358 2.781 0 40 DFAB CCc1nnc(COC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)o1 22989250 XAKXKMNJIHUHAZ-UHFFFAOYSA-N 312.329 2.688 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cscn3)C2)n1 54204452 RVWNUTOWRUOVOD-CYBMUJFWSA-N 316.430 2.697 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)NCCCCc2ccccc2)[C@H]2C=C[C@H]1C2 100545953 KOYFQSLTABANRV-QAETUUGQSA-N 313.397 2.648 0 40 DFAB C[C@H]1CN(C2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)C[C@H](C)O1 102611491 ACUAONISRNKJAD-ATIWLJMLSA-N 304.478 2.772 0 40 DFAB CN1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 59843200 PKUZQZIJAITZRE-UHFFFAOYSA-N 321.380 2.882 0 40 DFAB O=C(O)[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 35296550 NLUJYSPUBDPTKU-LLVKDONJSA-N 303.280 2.882 0 40 DFAB CC(C)Cc1cc(C(=O)Nc2cc(-c3cccnc3)n[nH]2)[nH]n1 89856498 AQKUUTJKRLZEMZ-UHFFFAOYSA-N 310.361 2.646 0 40 DFAB COc1cc(CN2CCc3c(nc(C(C)C)n3C)C2)ccn1 89893727 LUKOBDOMHZBEIR-UHFFFAOYSA-N 300.406 2.505 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 3324625 AYLBZEISXIFHEX-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB CCC1(CC)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 58064976 ZZWKOGMCUQYTML-UHFFFAOYSA-N 313.357 2.952 0 40 DFAB O=C1NCCC[C@@H]1Nc1nc(-c2ccccc2)c2ccccc2n1 58162870 ZBGIQURKVBDCHL-INIZCTEOSA-N 318.380 2.987 0 40 DFAB CC(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1 113632873 TZIYYPHSIYMLQN-UHFFFAOYSA-N 302.370 2.581 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)NC(C1CC1)C1CC1 44895593 ORBZZOHMLDTEAX-UHFFFAOYSA-N 319.426 2.855 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)NC[C@H](O)c1cccc(F)c1 58228118 XWJHFYHOWFEAHK-WBMJQRKESA-N 320.364 2.773 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)NCc2ccoc2)cc1 58210520 DXYIUMVKPHMQKI-UHFFFAOYSA-N 324.340 2.566 0 40 DFAB CC[C@H](C)C(=O)NCC(=O)N[C@H](C)Cc1cccc(Cl)c1 58278782 TWSPMEVMFREFTG-NWDGAFQWSA-N 310.825 2.550 0 40 DFAB CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 58218262 XMEUJIUBKYPJBH-OAHLLOKOSA-N 318.417 2.608 0 40 DFAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12 2236672 OUDGGVPSPDDAIX-UHFFFAOYSA-N 321.329 2.605 0 40 DFAB CCn1cc(C(=O)Nc2cnn(Cc3ccccc3F)c2)cn1 28229190 FMMLHIFPTLTTQH-UHFFFAOYSA-N 313.336 2.539 0 40 DFAB c1ccc2oc(CCCSc3nc4ncccn4n3)nc2c1 48367535 RZXXUIAUHFVROP-UHFFFAOYSA-N 311.370 2.990 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1coc2cc(C)ccc12 12919396 VGIJWYKNTIIVMX-HNNXBMFYSA-N 317.385 2.988 0 40 DFAB O=C1COc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2N1 12921335 ILEYFZSLJLWAPL-UHFFFAOYSA-N 308.337 2.759 0 40 DFAB CC(C)CCNC(=O)NC(=O)CSc1nc2ccccc2o1 3503804 QNSOATJBGGKWCA-UHFFFAOYSA-N 321.402 2.792 0 40 DFAB CCS(=O)(=O)c1ccc(NC[C@H](N)c2ccccc2)cc1 62838559 LGLISQPUNRISFE-INIZCTEOSA-N 304.415 2.592 0 40 DFAB CN(C(=O)/C=C/c1ccco1)C1CCN(c2ccccn2)CC1 69461121 WHWCGSCWTDUYIH-BQYQJAHWSA-N 311.385 2.815 0 40 DFAB O=C(CCc1ccco1)NCC(=O)Nc1cccc2cccnc12 69453735 AXFBSMIUSHQXBD-UHFFFAOYSA-N 323.352 2.515 0 40 DFAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H](n2cncn2)C1 75602501 SWOHIKCMPHIPKE-KRWDZBQOSA-N 310.401 2.634 0 40 DFAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1F 7990201 DANXTMPHWFOEIE-QFYYESIMSA-N 319.307 2.982 0 40 DFAB CC(C)NC(=O)N1CCC[C@@H](C(=O)N(C)C2CCCCCC2)C1 49621872 XHJGUWBUBUHYGZ-OAHLLOKOSA-N 323.481 2.998 0 40 DFAB Cc1[nH]c(SCC(=O)NC2CC2)nc1Cc1ccccc1 4492610 XXZREXXGEPCDLP-UHFFFAOYSA-N 301.415 2.680 0 40 DFAB Cc1oc(C)c(C(=O)N2CCOC(C)(C)C2)c1Br 65465520 KTABIAHQJUVJRU-UHFFFAOYSA-N 316.195 2.910 0 40 DFAB O=S(=O)(Cc1ccccc1F)C[C@@H]1COc2ccccc2O1 65578271 NCCFWDMKZAAVPL-ZDUSSCGKSA-N 322.357 2.581 0 40 DFAB O=C(CSCc1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 14171598 GVCCIRRAHQKUOD-UHFFFAOYSA-N 319.411 2.790 0 40 DFAB CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2C1 5443123 CXIMWVRPCBMNLM-UHFFFAOYSA-N 308.447 2.737 0 40 DFAB OC[C@@H]1CCCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 69529425 BATPIADWIAZFBB-ZDUSSCGKSA-N 308.328 2.967 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(F)cc1 4785310 FCOCOZGISKPHJM-UHFFFAOYSA-N 312.304 2.842 0 40 DFAB O=C(C[S@@](=O)Cc1ccc(F)cc1Cl)NC1CCCC1 66297910 OSVAJMIAMRJPLE-HXUWFJFHSA-N 317.813 2.787 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)Cc1ccc(F)cc1 5634059 CILJUKIVIIVQNW-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB O=C(OCc1nnc(-c2ccco2)o1)c1cnc2ccccc2n1 8328225 PSFJHQSRIMZWBA-UHFFFAOYSA-N 322.280 2.630 0 40 DFAB Cc1noc(C)c1CC(=O)OCc1nc(-c2ccccc2)no1 8389047 PBMGPAMJPCFOFN-UHFFFAOYSA-N 313.313 2.627 0 40 DFAB O=C(CN[C@@H](c1ccccc1)C1CCC1)NCC(F)(F)F 69700708 GHBAHIUIKHFTCG-AWEZNQCLSA-N 300.324 2.796 0 40 DFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 18179551 BUZQWPPKRJRADC-HZPDHXFCSA-N 309.369 2.611 0 40 DFAB CC[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1 8762828 LZYPZPWKRGXFFH-QGZVFWFLSA-N 324.428 2.621 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2)n1 18254670 FZIKMXZNSUXEIC-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CCCOCC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 87258785 GBMMDGMOYYOZQU-SJLPKXTDSA-N 313.401 2.655 0 40 DFAB CCSc1nc2nc(O)n(-c3ccccc3)c(=O)c2s1 71289286 XRJIZGLBTLGERK-UHFFFAOYSA-N 305.384 2.660 0 40 DFAB COCCSCC(=O)OCc1cnc(-c2cccs2)o1 72292117 YUOZKCVUXWROKN-UHFFFAOYSA-N 313.400 2.826 0 40 DFAB C[C@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)[C@@H](C)C1 72294054 KHPQBXVGDQXQTJ-KBPBESRZSA-N 313.405 2.597 0 40 DFAB Cc1oc(CN(C)C(=O)Cc2ccc(F)cc2)cc1C(=O)O 97018423 DVGPSISOZIECOU-UHFFFAOYSA-N 305.305 2.626 0 40 DFAB Cc1c(C(=O)N2CCN(CC3CC3)c3ccccc32)cnn1C 96443953 SXHAZWRCCGBLPW-UHFFFAOYSA-N 310.401 2.605 0 40 DFAB CCN1CC[C@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C[C@@H]1C 96419767 REFZWWCXCXTUFF-OHKBXWSGSA-N 322.474 2.792 0 40 DFAB Cn1cc(CNC(=O)Cc2cccc(O)c2)c(-c2ccccc2)n1 97083380 XNJVJOAUOSOSSI-UHFFFAOYSA-N 321.380 2.652 0 40 DFAB Cn1cc([C@@H](OC(=O)c2ccn3cncc3c2)C(F)(F)F)cn1 97032501 PLNUEKDWLLOYJU-GFCCVEGCSA-N 324.262 2.528 0 40 DFAB CCOC(=O)c1cnn([C@@H]2CCCN(c3cccc(C)n3)C2)c1 97163407 HKVIZHSRSOPXCP-OAHLLOKOSA-N 314.389 2.605 0 40 DFAB CC(C)(C)NC(=O)CNc1nnc(Cc2ccc(F)cc2)s1 97109277 LMTZWROTJCNZHY-UHFFFAOYSA-N 322.409 2.595 0 40 DFAB CN(C)c1ccncc1CNC[C@H](O)c1ccccc1Cl 97115684 XTULXTHZQYFKLY-INIZCTEOSA-N 305.809 2.624 0 40 DFAB CN(C[C@@H]1CCOC1)c1ccnc2cc(Br)cnc12 97108547 FMWIFEOYFLKMNW-JTQLQIEISA-N 322.206 2.865 0 40 DFAB Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 97142785 QXBQVIHCAZGKNA-GOEBONIOSA-N 314.433 2.871 0 40 DFAB O=C1CN(C(=O)Nc2ccccc2Cl)[C@@H]2CCCC[C@@H]2N1 79104120 JDNFPRGDMBKJPP-QWHCGFSZSA-N 307.781 2.615 0 40 DFAB Cc1ncccc1C(=O)Nc1cccc(Cn2ccccc2=O)c1 95394046 ZFLNUMXTLLCJHH-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB O=C(N[C@@H](CCCO)c1ccccc1)c1ccncc1Cl 95445707 TZMWGUQNLPXPQI-HNNXBMFYSA-N 304.777 2.979 0 40 DFAB C1CCN(c2nnc(SCc3nc(C4CC4)n[nH]3)s2)CC1 95462931 QGOQYOAIPSMPMI-UHFFFAOYSA-N 322.463 2.816 0 40 DFAB CC1(C)Oc2ccc(Nc3nc(Cl)ncc3F)nc2NC1=O 95830584 IBQYILNHUAYCHB-UHFFFAOYSA-N 323.715 2.517 0 40 DFAB C[C@]1(CNC(=O)N2CCC[C@@H](CO)C2)CCCc2ccccc21 95985321 YOMUPYJLABCGHD-DNVCBOLYSA-N 316.445 2.695 0 40 DFAB O=C(NCc1nc(=O)o[nH]1)Nc1sc2ccccc2c1Cl 95996712 FGXHGMKEQYYGTK-UHFFFAOYSA-N 324.749 2.553 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 95992011 MGWHVJTYESANMB-CQSZACIVSA-N 314.385 2.745 0 40 DFAB COC(=O)CC(C)(C)CC(=O)N1CCc2c(F)cccc2C1 95986913 XEQVKKGCJKUMBI-UHFFFAOYSA-N 307.365 2.690 0 40 DFAB CN(CC1CCC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 89340235 PQIZHSRUKPHDBB-HNNXBMFYSA-N 305.422 2.858 0 40 DFAB O=C([C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCCC1 306133090 MBNKAFNHVOGGEB-CYBMUJFWSA-N 313.376 2.943 0 40 DFAB COc1cccc(CNC(=O)c2noc3c2CCCCC3)c1 20274305 IQNNPXFEXQBEPR-UHFFFAOYSA-N 300.358 2.882 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@@H]1c1ccc(Cl)cc1 218489165 WVMDEDLCYIQWFS-OWCLPIDISA-N 322.813 2.888 0 40 DFAB O=C(O)c1cnccc1N1CCN(C/C=C/c2ccccc2)CC1 519161691 LVDLIQIISDXIOB-QPJJXVBHSA-N 323.396 2.615 0 40 DFAB CCN1CCN[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72352847 GLSDVYLZTVTPJS-LJQANCHMSA-N 324.424 2.725 0 40 DFAB CCCOc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1 218982049 CXGXOGIMYWJYFG-UHFFFAOYSA-N 305.374 2.501 0 40 DFAB O=C1[C@H](Sc2nncs2)CCCN1c1cccc(F)c1 79358854 GBQIQWDMHLYORP-LLVKDONJSA-N 309.391 2.965 0 40 DFAB Cc1ccc(C(C)C)c(OCC(=O)NCCCn2ccnc2)c1 45162381 KSCQZROKCOTLOL-UHFFFAOYSA-N 315.417 2.900 0 40 DFAB NC(=O)CC[C@H]1CCCN(Cc2ccc(Br)o2)C1 191285194 MGOSYWKGHZUNGJ-SNVBAGLBSA-N 315.211 2.520 0 40 DFAB C[C@@]1(C(=O)NCCc2ccco2)CC(c2cccs2)=NO1 226747638 DBQLBQXMQXEGME-HNNXBMFYSA-N 304.371 2.583 0 40 DFAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)c(N)c1 226265436 PVFHHUHVVPGPOZ-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC3(CC2)OCCO3)o1 45075006 ZKZDFJOKCDPSKD-HIFRSBDPSA-N 319.401 2.701 0 40 DFAB Cc1cc(F)ccc1[C@H](O)Cn1nnc(-c2ccsc2)n1 225708966 WNFPZBQKTFVKJS-CYBMUJFWSA-N 304.350 2.583 0 40 DFAB C[C@H](NCc1nnc(-c2ccccc2)o1)c1nnc2n1CCCC2 195570891 WLKYICIHXYMVRC-LBPRGKRZSA-N 324.388 2.515 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@H](CN(C)C)C1 195570455 STTGQFDFXBUFDC-MSOLQXFVSA-N 317.477 2.909 0 40 DFAB O=C(NCC1CC1)Nc1ncn(Cc2ccc(Cl)cc2)n1 96452259 JGOABFZOGGAKOT-UHFFFAOYSA-N 305.769 2.511 0 40 DFAB CN(C)[C@@H]1CC[C@@H](NC(=O)Nc2cccc(OCCF)c2)C1 92076697 RBYAENUPUVOJAH-ZIAGYGMSSA-N 309.385 2.639 0 40 DFAB c1ccc(CO[C@@H]2CN(Cc3ccco3)[C@H]3CCCO[C@H]32)nc1 96058145 LUOQUYNTKGKCSU-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(CC1CC1)CC2 247899802 VTMAHEGPRUCXQG-KRWDZBQOSA-N 318.461 2.850 0 40 DFAB CO[C@H]1CCCOC12CCN(Cc1nccn1C(C)C)CC2 257297014 RFKAEJSYIYIHPX-HNNXBMFYSA-N 307.438 2.624 0 40 DFAB COc1ccc(C(=O)N2CC[C@@H](Cc3nccs3)C2)cc1 257239067 HNUNMOJHIXYKPG-LBPRGKRZSA-N 302.399 2.857 0 40 DFAB C[C@@H](NC(=O)c1ccccc1-n1cc(CN)cn1)c1ccccc1 257307745 TTXJBYBGGGTPBV-CQSZACIVSA-N 320.396 2.822 0 40 DFAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)[nH]n1 257295282 QXRNGDXQWGSWOA-GFCCVEGCSA-N 315.421 2.525 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc[nH]n1 390834429 YRUVYPWBUPRABK-QPUJVOFHSA-N 324.153 2.597 0 40 DFAB CN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575419525 CCAMNBGGXRBWSP-KRWDZBQOSA-N 315.438 2.895 0 40 DFAB C[C@]12CCN(CC3(O)CCCCCC3)[C@H]1CCCCC(=O)N2 585282546 GMANRWCMSVEPLM-RDJZCZTQSA-N 308.466 2.595 0 40 DFAB Cc1cc(OC[C@@]2(O)COCCN(C3CCCC3)C2)ccc1F 585280906 CADFFANSSSFXSK-SFHVURJKSA-N 323.408 2.519 0 40 DFAB Fc1cccc2ncnc(N3CCN(c4nccs4)CC3)c12 54055840 JZNGLOUDHWXWFW-UHFFFAOYSA-N 315.377 2.552 0 40 DFAB CCc1ncc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)s1 65053441 URVCFYVDMPDDKX-NSHDSACASA-N 310.806 2.822 0 40 DFAB COc1ccccc1-n1c(SC)nc2c(c1=O)SCC2 213961 PKEGZPDKKMAQHB-UHFFFAOYSA-N 306.412 2.611 0 40 DFAB COC1=C[C@@H]2O[C@H]3OC(=O)C[C@H]3[C@@H]2C(OCc2ccccc2)=C1 5029010 LUMSFOHAOHIUOZ-PLYYQAHHSA-N 314.337 2.535 0 40 DFAB O=C(O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156586 AXLCCZAUYARXHB-ZDUSSCGKSA-N 307.321 2.590 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2cc3cccnc3[nH]2)n1 12222995 HDVDSEGLJPNPDB-INIZCTEOSA-N 323.400 2.740 0 40 DFAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1 13646327 JOQFBBMWPFOWFQ-UHFFFAOYSA-N 319.426 2.915 0 40 DFAB COc1ccc(C2(C(=O)NCCC(C)C)CCOCC2)cc1 16985314 RBFJSBRPHJVSQF-UHFFFAOYSA-N 305.418 2.906 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)NCc3ccncc3)n2)cc1 17168526 XXHMYJXRFIVBKW-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB O=C(NCc1ccccc1)c1ccc(CN2CCCC2=O)cc1 18114208 CACRMOBXKQWCKA-UHFFFAOYSA-N 308.381 2.739 0 40 DFAB C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)on2)C1 19496549 YRYMEQSGQXKLNJ-LBPRGKRZSA-N 305.422 2.792 0 40 DFAB Cc1nc(C)c(CC(=O)Nc2c(C)cccc2C(C)C)c(=O)[nH]1 19937505 PMXIVXZVTGDFFN-UHFFFAOYSA-N 313.401 3.000 0 40 DFAB O=C(CCn1c(=O)sc2ccccc21)Nc1nccs1 4076419 DSAHEVJSFSFNKX-UHFFFAOYSA-N 305.384 2.548 0 40 DFAB NCCS/C=C/C(=O)Oc1ccc(Br)cc1 1623374 BHMOGSUYCNCGTK-FNORWQNLSA-N 302.193 2.560 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)c1C 6786634 URFIAMHPDNCSPK-AWEZNQCLSA-N 312.369 2.566 0 40 DFAB Cc1csc2c(N[C@@H]3CCN(C4CCOCC4)C3)ncnc12 1889077189 CQKSKNVOIHYOCW-GFCCVEGCSA-N 318.446 2.665 0 40 DFAB CC[C@@H]1CN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CCO1 30762822 XWBLBIBEYHLNOW-GFCCVEGCSA-N 318.417 2.729 0 40 DFAB CN=c1[nH]c([C@@H]2CCCN(Cc3ccccc3)C2)cc2ccnn12 2037838233 ACSRWPTVAMLWEN-MRXNPFEDSA-N 321.428 2.573 0 40 DFAB COC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 4062420 NQBGFMQBDPKNCW-IACUBPJLSA-N 318.369 2.555 0 40 DFAB biogenic Cc1ccc(N2C[C@@H](NC(=O)C3CCCCC3)CC2=O)cc1 4496960 VQDSHKWCXFMKDZ-HNNXBMFYSA-N 300.402 2.797 0 40 DFAB O=C1CCCN1c1ccc(NS(=O)(=O)C2CCCCC2)cc1 5329254 CEWUAWBUKSJRGM-UHFFFAOYSA-N 322.430 2.888 0 40 DFAB O=C(Nc1nnc2n1CCCS2)c1cc2ccccc2o1 21715967 BWBKBCZIXXFZEG-UHFFFAOYSA-N 300.343 2.772 0 40 DFAB O=C(c1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F 575242693 FLOKOVNYBXLFCH-UHFFFAOYSA-N 309.234 2.904 0 40 DFAB CCn1nccc1C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575618163 SRNJXLOXRDHXAK-AWEZNQCLSA-N 323.400 2.648 0 40 DFAB COC(=O)Cn1/c(=N/C(=O)C(C)C)sc2c(C)cc(C)cc21 100910679 NXTLMHGHDQWMFK-MSUUIHNZSA-N 320.414 2.576 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)CCc2ccco2)c1C 58958401 DEFZKMQRFMEHMF-UHFFFAOYSA-N 302.374 2.891 0 40 DFAB O=C(NCCOc1ccc(F)cc1)NCCc1cccs1 28995757 VPGJDGFPVGADQZ-UHFFFAOYSA-N 308.378 2.808 0 40 DFAB COc1ccc(C)cc1NC(=O)CSc1nnc(C)s1 2534544 CANNLSRXZBNHFR-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB CC(C)[C@@H](CNC(=O)C1CCC1)N1CCc2ccccc2C1 29173920 GQNRSJCSYOLDEL-GOSISDBHSA-N 300.446 2.986 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nncs1 2635009 TWGIJTVTOVQQTI-VHSXEESVSA-N 305.428 2.997 0 40 DFAB Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 3601772 LNKGSELSELNRGX-UHFFFAOYSA-N 300.796 2.505 0 40 DFAB CC1CCC(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)CC1 6422029 YMQUQJKLNIXQAY-UHFFFAOYSA-N 324.808 2.774 0 40 DFAB CC(=O)Nc1ccc(C(=O)CSc2nncs2)c(F)c1 7293858 ROGOGACYPTYLGE-UHFFFAOYSA-N 311.363 2.611 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2F)c1 7706972 RKWDTXYFYVCXQH-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccco2)CC1=O 7882133 RRJRPAYXUZZGQS-ZFWWWQNUSA-N 312.369 2.506 0 40 DFAB C[C@H]1CN(C)CC[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 52198812 PMQJHIMVXQDALA-FZMZJTMJSA-N 314.351 2.704 0 40 DFAB Cc1nnc(COC(=O)c2cc(Cl)cc(Cl)c2N)o1 32823669 GKWNLGARPMDRTM-UHFFFAOYSA-N 302.117 2.624 0 40 DFAB O=C(N[C@@H](c1nnn([C@H]2C=CCCC2)n1)C1CC1)c1ccccc1 71911000 IKUXWTOVLJAWRG-JKSUJKDBSA-N 323.400 2.835 0 40 DFAB Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccoc2)CC1 32925338 FPQVCLPDPKGXRN-UHFFFAOYSA-N 313.357 2.578 0 40 DFAB Cc1cc(C)n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2n1 2730796 PERXQAYFDBDYAA-UHFFFAOYSA-N 324.428 2.901 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCN(C)c1ccccc1 24241502 UTKPELHEBVBSSB-CQSZACIVSA-N 316.376 2.846 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)no1 57355804 GAKWEKINGIPHBE-CZUORRHYSA-N 313.357 2.531 0 40 DFAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nccs1 22559202 VSISWAQKTBKIOX-UHFFFAOYSA-N 302.384 2.843 0 40 DFAB COc1ccc(C(=O)NCCCN2CCCCCC2)cc1F 52840682 BCHCUFKELZCWTL-UHFFFAOYSA-N 308.397 2.830 0 40 DFAB Cn1cc(C(=O)NCC2(c3ccccc3)CC2)c(C(F)(F)F)n1 47208700 GGMAWJXWWZMFSG-UHFFFAOYSA-N 323.318 2.901 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100395588 QZIGTFQURZURKZ-WJQMWINMSA-N 322.408 2.672 0 40 DFAB COc1ccc(CNCc2cccc3c2OCCO3)cc1OC 47495912 FLSBBHQPPAWQEY-UHFFFAOYSA-N 315.369 2.765 0 40 DFAB C[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 42463941 YYBUJSMNOJGESV-PBHICJAKSA-N 314.429 2.555 0 40 DFAB Nc1nc(Cl)cc(N2CCC([C@@H](O)c3ccccc3)CC2)n1 24056928 WQIJQHLRQSRTFB-HNNXBMFYSA-N 318.808 2.662 0 40 DFAB C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1c(F)cccc1F 1385989 RPJOHIMQXVEAAD-SECBINFHSA-N 302.280 2.952 0 40 DFAB O=C(c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300111 UEYPFNANSTXFMQ-UHFFFAOYSA-N 322.408 2.580 0 40 DFAB O[C@H](CNCc1cccnc1)COc1cccc2ccccc12 58099253 UDDVMHZPHPQUMQ-QGZVFWFLSA-N 308.381 2.764 0 40 DFAB CCCNC(=O)[C@@H](C)Sc1ccc(Br)cn1 58159484 WGUYNOVVRTYASN-MRVPVSSYSA-N 303.225 2.851 0 40 DFAB Cc1ncc(C(=O)NCc2nc(C)c(C)s2)c(C(C)C)n1 75334319 OXZCERHBKWWPSU-UHFFFAOYSA-N 304.419 2.912 0 40 DFAB c1ccc2c(c1)CCN(c1nn3cnnc3c3ccccc13)C2 27795206 FLBUNKCCWAREPU-UHFFFAOYSA-N 301.353 2.840 0 40 DFAB Cc1cccc(CNC(=O)Nc2cccnc2N2CCCC2)n1 44972719 WGUATKZYCDJQEA-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 44911512 HIFDSZHFORPEKD-CYBMUJFWSA-N 318.446 2.606 0 40 DFAB CC(C)(C)c1nc(C(C)(C)NC(=O)COc2ccccc2)no1 58342491 MVFJARWLNZLJGZ-UHFFFAOYSA-N 317.389 2.797 0 40 DFAB O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccccc1 3398917 NGJQTBUWCGHNAT-UHFFFAOYSA-N 323.348 2.531 0 40 DFAB CC(C)Oc1ccccc1NC(=O)CNC(=O)OC(C)(C)C 58404852 DSPMMHVGUSBEPX-UHFFFAOYSA-N 308.378 2.937 0 40 DFAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(F)cc1 10574299 AJLLUKIARIDUKK-UHFFFAOYSA-N 319.357 2.629 0 40 DFAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCC2=CCCCC2)C1 48232185 TVWYRVJKYAGJMH-HNNXBMFYSA-N 317.437 2.595 0 40 DFAB C[C@H](NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1)C(=O)NC(C)(C)C 48331403 YRFLOZHCNGNFNI-AXTCKOSQSA-N 318.417 2.836 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCC(C)(C)N(C)C 48333469 GTZHYKZYKOIXRS-OWCLPIDISA-N 312.498 2.920 0 40 DFAB COCCCNC(=O)CN(C)Cc1ccc(Cl)cc1Cl 48331834 VFJNYPKPXHDUBY-UHFFFAOYSA-N 319.232 2.578 0 40 DFAB COc1cc(C(=O)NCc2ccncc2)cc(Cl)c1OC 3414481 FIUKGAHOECTMLB-UHFFFAOYSA-N 306.749 2.682 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 23326366 RAYHBVLLZULXKA-CYBMUJFWSA-N 309.369 2.946 0 40 DFAB CCSc1nnc(SCC(=O)Nc2cc(C)on2)s1 3546053 MFZNITRCAVAIOB-UHFFFAOYSA-N 316.433 2.677 0 40 DFAB FC(F)Oc1ccc(NCc2ccc(-n3cncn3)cc2)nc1 91432064 AHEKZAWDYZWJLR-UHFFFAOYSA-N 317.299 2.876 0 40 DFAB O=C(NCCSc1ccccc1)c1ccc2c(c1)OCO2 8361034 KTIRZBSNCZOYHE-UHFFFAOYSA-N 301.367 2.937 0 40 DFAB C[C@H](Oc1ccc(CC(=O)O)cc1)C(=O)NC1CCCCC1 13421131 PMKKUOUCPIQMJN-LBPRGKRZSA-N 305.374 2.530 0 40 DFAB CC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C)cccc1C 89942029 WEVAEUZQZOMLCM-QGZVFWFLSA-N 306.406 2.563 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccnc2ccccc12)C(=O)O 6186805 PYIMRQWQFOYRSI-AWEZNQCLSA-N 316.357 2.755 0 40 DFAB C[C@@H](OC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O 8522695 GZQXGVDTECBSNP-SNVBAGLBSA-N 303.289 2.649 0 40 DFAB COc1cccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1 4387078 IXNLGGUNBRGXKN-AWEZNQCLSA-N 321.332 2.978 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(C(N)=O)o1 89904149 CDOCZHBJPODPQY-GFCCVEGCSA-N 322.364 2.893 0 40 DFAB COC[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 65413979 MLAMIGGMTUGZRU-GFCCVEGCSA-N 317.389 2.752 0 40 DFAB COC(=O)c1cccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c1 14187102 FUFJCEDUEWOBMM-KBPBESRZSA-N 304.415 2.977 0 40 DFAB COCCOc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1 66386331 MTBOXADJWYEDDQ-UHFFFAOYSA-N 303.362 2.742 0 40 DFAB COc1ccc(C(=O)NCCOc2ccccc2OC)cc1 14869043 FWMFWEZSNZWOII-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1Cc2ccccc2C1=O 6875888 WTWBVSDGIHMFFC-SNVBAGLBSA-N 315.760 2.718 0 40 DFAB CC(C)(NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1 69811976 SVEJEWSYTQPMAZ-NSHDSACASA-N 315.200 2.623 0 40 DFAB Nc1nc(Cl)c(C=O)n1-c1ccc(Br)cc1 69949638 LZMDRWTULZRDJL-UHFFFAOYSA-N 300.543 2.683 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15826695 YNPHRPJRWQLACS-NSHDSACASA-N 315.760 2.727 0 40 DFAB Cn1cc([C@H]2C[C@@H]2C(=O)NCc2cccc3ccccc23)cn1 68424208 YYDROYBAYWYFSR-MSOLQXFVSA-N 305.381 2.993 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)NCc1ccccc1F 7886303 SORXIAHDCVLLST-UHFFFAOYSA-N 307.346 2.669 0 40 DFAB Cc1csc(=O)n1CCNC1(c2nccs2)CCCC1 83214997 BDPYTGNSJJMAPG-UHFFFAOYSA-N 309.460 2.734 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 76070746 AAJKARTXFCGOST-JTQLQIEISA-N 320.311 2.829 0 40 DFAB CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 76044360 RWFZYYBRBMEVJH-CYBMUJFWSA-N 315.377 2.771 0 40 DFAB CCc1c(NC(=O)N2CCO[C@H](C)[C@@H]2C)cnn1CC(C)C 96499591 BMIYOYAHAGMRSU-QWHCGFSZSA-N 308.426 2.743 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)[C@@H](C)CCc1ccccc1F 96430645 KDGHVJGXHZQORZ-KBPBESRZSA-N 320.408 2.522 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCC[C@H]1Cn1cccn1 71866398 ZOCNBTVQMUYWCR-NSHDSACASA-N 307.756 2.980 0 40 DFAB COc1ccnc(NC[C@H]2CCCCN2Cc2ccccc2)n1 71836890 TVZXSTABBLYILF-MRXNPFEDSA-N 312.417 2.952 0 40 DFAB CN(c1cnc2ccccc2n1)[C@@H]1CCCN(c2cccnn2)C1 71859462 AQRXRPZWMCKXAN-CQSZACIVSA-N 320.400 2.525 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)c(F)c1 84144553 CPTDWJKIFZWTDP-UHFFFAOYSA-N 315.757 2.566 0 40 DFAB COc1ccc(C(=O)C(=O)N(C)Cc2cccc(OC)c2)cc1 72269978 DWBOVTMIJIMFBE-UHFFFAOYSA-N 313.353 2.545 0 40 DFAB O=C(c1ccccc1O)N1CCC[C@@H]1C[C@H](O)c1ccco1 97032764 OMHKNNFBIVWGEJ-DOMZBBRYSA-N 301.342 2.714 0 40 DFAB Cc1oc(CN(C)C(=O)CCc2cccs2)cc1C(=O)O 97018416 DVOAWFQLJROZBH-UHFFFAOYSA-N 307.371 2.939 0 40 DFAB CC1(C)C[C@H](NCc2cnn(CC(F)(F)F)c2)C(C)(C)O1 97017352 IASFLUPREGERIY-NSHDSACASA-N 305.344 2.881 0 40 DFAB Cc1cccc([C@@H](C)Nc2cnn(CCN3CCOCC3)c2)c1 97038623 ZSXNSLFYQHXCOK-MRXNPFEDSA-N 314.433 2.697 0 40 DFAB CCc1cnc(CN(C)C(=O)NCCc2ccc(C)nc2)s1 78987988 YVKSSIWZCWXLBF-UHFFFAOYSA-N 318.446 2.793 0 40 DFAB Cc1ccccc1CCCN1C(=O)C(=O)N(C2CCCC2)C1=O 79055653 RUQNYBMHNDQABD-UHFFFAOYSA-N 314.385 2.661 0 40 DFAB CC(=O)NCc1ccc(C(=O)NCc2ccccc2Cl)cc1 72680690 PLNNRNWRSZVGEE-UHFFFAOYSA-N 316.788 2.906 0 40 DFAB Cc1csc(C(C)(C)NCc2nc(-c3ccccn3)no2)n1 72663269 CBIRUGGCHXUHIZ-UHFFFAOYSA-N 315.402 2.921 0 40 DFAB COc1cc(Cl)ccc1CNC(=O)N[C@@H](C)c1cnn(C)c1 84667526 GNPUWDHATBCTIM-JTQLQIEISA-N 322.796 2.643 0 40 DFAB C[C@H](Cc1noc(-c2ccncc2)n1)N(C)C(=O)OC(C)(C)C 84640989 GTICGUYPVNOITC-LLVKDONJSA-N 318.377 2.930 0 40 DFAB COCc1cc(C(=O)N[C@H](C)Cc2ccccc2Cl)no1 95403455 CQORNNNNIQECLN-SNVBAGLBSA-N 308.765 2.835 0 40 DFAB C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc([S@](C)=O)cc1 85325082 RPTDYDVWBQYMLJ-JPEVHGAISA-N 317.454 2.678 0 40 DFAB C[C@H](CS(=O)(=O)N1CCS[C@H](C)[C@H]1C)c1ccccc1 95971370 OQQTVWWRRZGPJY-MGPQQGTHSA-N 313.488 2.946 0 40 DFAB O=C(O)c1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)c1 95956867 OMTAKGOLVGNBFS-UHFFFAOYSA-N 321.336 2.501 0 40 DFAB Cc1occc1C(=O)Nc1cccn(CC(F)(F)F)c1=O 89540680 SAAKOBOTJFVUIO-UHFFFAOYSA-N 300.236 2.564 0 40 DFAB CSc1ncccc1C(=O)NC[C@H]1COC2(CCCCC2)O1 38568566 YDZSGEOYOQVAPT-LBPRGKRZSA-N 322.430 2.609 0 40 DFAB C[C@H](CNC(=O)C(=O)NC[C@H](C)c1ccccc1)c1ccccc1 408707052 ITOSRLZBHUMYKA-IYBDPMFKSA-N 324.424 2.826 0 40 DFAB CCC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccsc1 187805048 ZWNKJCKWQLPDTP-ZIAGYGMSSA-N 316.492 2.603 0 40 DFAB O=C(O)c1ccc(Br)c(NC(=S)NC2CC2)c1 216927415 NNPSIZZZNGZYDO-UHFFFAOYSA-N 315.192 2.596 0 40 DFAB CCN(CC)CCNC(=O)c1nnsc1-c1ccc(C)cc1 72240042 LIPKCPSVQIZSBM-UHFFFAOYSA-N 318.446 2.585 0 40 DFAB Cn1ncc(Cl)c1CNc1cc(F)cc(N2CCOCC2)c1 132334738 NGKNPCWJCBEPFI-UHFFFAOYSA-N 324.787 2.661 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccco1 222749435 XMQFEOXRVVNLGZ-AWEZNQCLSA-N 314.385 2.723 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 226752860 PHDASTMLKJHLPW-MOPGFXCFSA-N 308.425 2.957 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 225415009 AJCDZTJICCJYOS-YTFOTSKYSA-N 320.458 2.742 0 40 DFAB COc1ccnc(COC(=O)c2cccnc2C(F)(F)F)c1 225562036 GSSXQLVUDSQPOZ-UHFFFAOYSA-N 312.247 2.861 0 40 DFAB Cc1ccc(OCC(=O)NCC2(N(C)C)CCCC2)cc1C 46445289 FMBVJBGFUWKUNW-UHFFFAOYSA-N 304.434 2.673 0 40 DFAB Cc1ccncc1NC(=O)[C@@H](C)Oc1ccn(-c2ccccc2)n1 226852573 IXEQEUWRSPGKPR-CQSZACIVSA-N 322.368 2.982 0 40 DFAB CCCCn1nc(-c2ccccc2)cc(C(=O)OCC)c1=O 225963858 FMLKHNUQPTUDQH-UHFFFAOYSA-N 300.358 2.887 0 40 DFAB O=C(NCC1(O)CCOCC1)c1ccc(-c2ccsc2)cc1 225620939 RSIZSFAXQUKFCQ-UHFFFAOYSA-N 317.410 2.686 0 40 DFAB COC(=O)C1=C(C)O[C@H](CSCC(=O)Nc2ccccc2)C1 225692210 MVEXNKQYTTTYCU-ZDUSSCGKSA-N 321.398 2.594 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C1 227154500 XOKBTMNGVFVFFE-PXAZEXFGSA-N 304.365 2.967 0 40 DFAB CC(C)[C@](C)(CC(=O)O)NC(=O)c1cnc2ccsc2c1 572827638 WNXJNTGDDWPIIY-HNNXBMFYSA-N 306.387 2.916 0 40 DFAB COC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCC1 225626204 OQBOTKCPONAUOZ-UHFFFAOYSA-N 320.433 2.915 0 40 DFAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCC1 225435854 NQNWTSAWNIGXIG-VIFPVBQESA-N 304.321 2.816 0 40 DFAB biogenic,in-vitro Cc1cc(O)cc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)c1 195555741 KXXCGSLDOPPYAO-UHFFFAOYSA-N 318.417 2.515 0 40 DFAB C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@](C)(O)C(=O)O 582850678 BPQRAXITLPNTIX-OQPBUACISA-N 306.189 2.822 0 40 DFAB O=C(c1ccccc1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238366 CFDSZCFDLFDAIV-HXUWFJFHSA-N 320.392 2.956 0 40 DFAB Cc1cc(NC(=O)N2CCOCC2)nn1-c1cccc(Cl)c1 96495694 YXOHOHYJFJRUBT-UHFFFAOYSA-N 320.780 2.698 0 40 DFAB C[C@]12C[C@@H](c3ccccc3)N(c3cnccn3)[C@H]1CCCC(=O)N2 257301409 RYIOZRREXKGZKN-BXWFABGCSA-N 322.412 2.855 0 40 DFAB CC(C)n1cc(CNCc2ccn(CC(F)(F)F)n2)cn1 256054361 VZMFEZVKVYEEPW-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB c1ccc2oc(CN3CCOC[C@@H](Cc4cnccn4)C3)cc2c1 257328007 XDTFYLSPSFESEY-HNNXBMFYSA-N 323.396 2.914 0 40 DFAB C[C@]12CCCN(C(=O)COc3ccccc3Cl)[C@@H]1CCCN2 257325260 WSDWISJCSZECIK-WBVHZDCISA-N 322.836 2.852 0 40 DFAB Cc1cc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)ccn1 274781227 DVCNPGSMZQJNHA-UHFFFAOYSA-N 313.449 2.664 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccccn2)n1 55519854 ZDTHVVWEMJSBHX-CQSZACIVSA-N 314.389 2.884 0 40 DFAB C[C@@H](C(=O)N1c2ccccc2[C@H](C)CC1(C)C)S(C)(=O)=O 97232406 MHKGFIAMPOAJJW-NEPJUHHUSA-N 309.431 2.739 0 40 DFAB Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CCN(c2cnn(C)c2)C1=O 90018307 NRALELWMRHYNTC-KBRIMQKVSA-N 324.428 2.672 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2cc(C)[nH]n2)s1 95410160 ZGASYFYXAQAZKD-LLVKDONJSA-N 306.435 2.808 0 40 DFAB O=C1S/C(=C/c2ccccc2)C(=O)N1C(=O)c1ccncc1 3084357 SUDVWZWKSLKDEL-JLHYYAGUSA-N 310.334 2.958 0 40 DFAB Cn1nc(-c2ccncc2)cc1CNC(=O)/C=C/c1ccccc1 1775966790 ZHQWUTQEFXVRSO-BQYQJAHWSA-N 318.380 2.812 0 40 DFAB O=C(NCCc1cccc(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13119499 LBSALAHKZWDRNS-MYZSUADSSA-N 321.804 2.746 0 40 DFAB CCc1nn2c(=O)cc(COc3cc(C)ccc3C)nc2s1 13367675 GNLZELUWTOGOMJ-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1Cl)C(=O)O 15442622 DEAWWFIDLVAZKH-LLVKDONJSA-N 315.753 2.566 0 40 DFAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1F 4562665 FROBJFAYNJTSNA-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB COc1ccc(CCN(C)C(=O)c2ccccc2N)cc1OC 6226787 DLROJAGVEJRCPW-UHFFFAOYSA-N 314.385 2.601 0 40 DFAB CN(CCc1nn(C)cc1Br)C(=O)OC(C)(C)C 953089136 VCXOILNTJYJRSZ-UHFFFAOYSA-N 318.215 2.592 0 40 DFAB O=C(CCNC(=O)c1ccoc1)Nc1ccc(F)cc1Cl 33147531 JPUGIUWDCDQEAC-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB CCc1ncnc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1F 1776008593 IVSGCZFAIFJNAC-RYUDHWBXSA-N 301.369 2.747 0 40 DFAB COc1cc(CC(=O)N2CC[C@H](c3ccccc3)C2)ccc1O 239593091 DOOLAAQSRCCNOK-INIZCTEOSA-N 311.381 2.959 0 40 DFAB CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 4077714 STXCKCKPVXRAMH-UHFFFAOYSA-N 322.415 2.617 0 40 DFAB Cc1c(Cl)cccc1NC(=N)Nc1nc2c(c(=O)[nH]1)CCC2 9938559 XJXJLHXABAIXFM-UHFFFAOYSA-N 317.780 2.679 0 40 DFAB Cn1c(SCc2ccon2)nc2sc3c(c2c1=O)CCC3 12427745 MFFUAFSFQVAQNF-UHFFFAOYSA-N 319.411 2.764 0 40 DFAB Cc1cc(C(=O)NCc2sccc2C)c2c(C)nn(C)c2n1 25721178 RVJZBRDUQDVNAL-UHFFFAOYSA-N 314.414 2.885 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073983 WPSIPRGPRJACLQ-MRXNPFEDSA-N 323.396 2.501 0 40 DFAB O[C@@H](CN1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 40497177 BJDQQUHGDHZYTC-ROUUACIJSA-N 301.361 2.933 0 40 DFAB Cc1cc2ncn(C[C@H](O)CSc3nncs3)c2cc1C 51202704 LXRUNVCTFDBGOI-NSHDSACASA-N 320.443 2.658 0 40 DFAB CCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12 226420 CUZUMLPKUCJULM-UHFFFAOYSA-N 306.431 2.936 0 40 DFAB Cc1ccccc1CSc1nc2nc(O)[nH]c(=O)c2s1 4987565 RMZUZAQNOCBTQP-UHFFFAOYSA-N 305.384 2.686 0 40 DFAB Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 6302923 MGURQUIINJTROP-UHFFFAOYSA-N 300.270 2.854 0 40 DFAB COc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1OC(F)F 29720862 QZXRXHYXDRQTQY-AWEZNQCLSA-N 322.311 2.935 0 40 DFAB COc1ccc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1 329105 PMOGDVNFBDYZBB-INIZCTEOSA-N 309.369 2.685 0 40 DFAB biogenic C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N1CCCCC1 2627075 WWQNHCBRYXRSIB-NSHDSACASA-N 318.398 2.854 0 40 DFAB COc1ccc(CNCCCN2CCc3ccccc32)cc1O 32776917 QFAUGEPIVUMKRZ-UHFFFAOYSA-N 312.413 2.943 0 40 DFAB COc1ccc(-c2nnc(S[C@@H](C)C(C)=O)o2)c(OC)c1 21572402 XSZIPGDGHJPAOR-VIFPVBQESA-N 308.359 2.823 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2ccccc2o1 21588657 FFYFSRYDLOFPBC-UHFFFAOYSA-N 323.352 2.917 0 40 DFAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCC 8327026 VPDCYZVBLKGEGF-GFCCVEGCSA-N 301.814 2.998 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100395091 HFWAHWIOXYPHKM-CNGUFQHNSA-N 322.408 2.726 0 40 DFAB COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 83884490 BZMBGQLXJFWBCU-DZGCQCFKSA-N 300.358 2.630 0 40 DFAB CC(C)C[C@H](C)n1nccc1NC(=O)COC[C@H]1CCCO1 71904430 CZIFRTDQKDVAMK-UONOGXRCSA-N 309.410 2.624 0 40 DFAB c1ccc(-n2ncc3c(N[C@H]4C[C@@H]5CC[C@@H]4O5)ncnc32)cc1 102682309 OUFVUHRKTXUPRH-QEJZJMRPSA-N 307.357 2.547 0 40 DFAB Cc1nn(C)c2sc(C(=O)NCCN3CCCC[C@H]3C)cc12 46860194 VBAZXPUADAAJLB-LLVKDONJSA-N 320.462 2.547 0 40 DFAB CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1 12291741 ZZNNEWGNXYOLQP-UHFFFAOYSA-N 309.387 2.774 0 40 DFAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](C)C(C)C)c1 22990632 NPEVUCYFJWRQJB-GFCCVEGCSA-N 312.435 2.613 0 40 DFAB Cc1ccn2cc(C(=O)N(C)CCOc3ccccc3)nc2c1 23570646 IDYIOUZQJNXIAU-UHFFFAOYSA-N 309.369 2.794 0 40 DFAB O=C(NCCCn1ccnc1)N1CC[C@H](c2ccc(F)cc2)C1 89783363 JAMAFRLETBDWCO-HNNXBMFYSA-N 316.380 2.611 0 40 DFAB CC(C)c1nn(C)cc1CNC1CCN(C(=O)C(C)(C)C)CC1 42959063 PWMUZYMFVQXVHY-UHFFFAOYSA-N 320.481 2.670 0 40 DFAB Cc1ccc(N2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)nn1 107711961 UIFQNMIMHHGLOL-AEFFLSMTSA-N 317.433 2.587 0 40 DFAB CC(C)=CC(=O)NCc1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)cc1 102720922 HQSUAIVENMJUPF-RDJZCZTQSA-N 312.413 2.894 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2nc3ccccc3n2C)cc1 12547208 XWYMHWWIYBPFRL-FMIVXFBMSA-N 321.380 2.912 0 40 DFAB O=C(NCCO)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 57420959 RYQHPSYTWQZRAD-OAHLLOKOSA-N 322.767 2.860 0 40 DFAB COc1ccc(CC(=O)OCC(=O)c2ccc(F)cc2)cc1 3237815 RZSQYKKYIBQZAC-UHFFFAOYSA-N 302.301 2.803 0 40 DFAB O=C(NC1CCN(CC2CCCCC2)CC1)c1cccnc1 58208528 RREUWAYPUAFHJI-UHFFFAOYSA-N 301.434 2.856 0 40 DFAB Cc1noc([C@@H](C)NC(=O)c2ccccc2Br)n1 58246159 QQQUJOFRSYWGGA-SSDOTTSWSA-N 310.151 2.632 0 40 DFAB CC1CCN([C@H](C)CNC(=O)CSCc2ccncc2)CC1 58283604 OLLICFWQBMHRQA-OAHLLOKOSA-N 321.490 2.551 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccoc3)cn2)n1 44952349 NTHVQOHWBALDAT-UHFFFAOYSA-N 311.345 2.799 0 40 DFAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccs1 2253764 RPWMJPUATKTKHO-KCJUWKMLSA-N 322.411 2.570 0 40 DFAB CC(C)Cc1ccc([C@@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 38361529 BAWJSOFBPMDHIG-BBRMVZONSA-N 319.449 2.755 0 40 DFAB O=C(CCNc1ccccc1)NCc1ccc(-n2ccnc2)cc1 63485783 OMJSOSICNDQWKL-UHFFFAOYSA-N 320.396 2.991 0 40 DFAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc2C1 49551593 RZFREKFSIJHPPE-LLVKDONJSA-N 316.426 2.534 0 40 DFAB Cc1cnn(C[C@@H](C)N[C@H](C)c2nc(-c3ccccc3)no2)c1 69629771 LAVKAEQIRVMYFQ-ZIAGYGMSSA-N 311.389 2.981 0 40 DFAB CCCn1c(=O)n(CC(=O)N2CCCCCC2)c2ccccc21 39987643 VMOODCMFEYKZRV-UHFFFAOYSA-N 315.417 2.616 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 69458813 FTXGCIFCKDVHFT-JQAFLVLXSA-N 315.392 2.952 0 40 DFAB Cc1cc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)no1 14170139 SDWZFQCXNRNUPJ-UHFFFAOYSA-N 321.387 2.604 0 40 DFAB COC(=O)c1ccc(OCC(=O)c2cc(F)ccc2OC)cc1 5402890 WHMHRIKDMNEGRQ-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB COc1ccc(CNC(=O)COc2ccccc2C(C)=O)cc1 6541515 ZPUCCAILJSAPNW-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1CCCN1CCOC1=O 65950970 KTVNKZKSGUNHTE-ZDUSSCGKSA-N 313.401 2.929 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2nccs2)c(OC)c1 4736076 UOSZWIZWEWUJDD-VIFPVBQESA-N 307.375 2.599 0 40 DFAB O=C(COc1ccccc1F)Nc1nonc1-c1ccccc1 8868579 VRLFCGGXCNFZGL-UHFFFAOYSA-N 313.288 2.893 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CNc2ccccc2F)c1C 8988660 MXTNXNKKKNTPOY-UHFFFAOYSA-N 304.321 2.852 0 40 DFAB CC[C@H](O)CN(CC(=O)NCc1cccs1)c1ccccc1 71185715 XDVWFRPWGHYLSB-HNNXBMFYSA-N 318.442 2.642 0 40 DFAB COC(=O)[C@@H](C)SCc1noc(Cc2ccccc2C)n1 83091840 WUUMHXQJXBVDHN-LLVKDONJSA-N 306.387 2.764 0 40 DFAB O=C(NCc1ccc2ccccc2c1)NC[C@]1(O)CCSC1 89878761 HFNWVCOSWJQDGR-QGZVFWFLSA-N 316.426 2.507 0 40 DFAB Cc1cc(=O)n2ncc(-c3cccc(Br)c3)c2[nH]1 71475465 QSBJDKRFKBJKHS-UHFFFAOYSA-N 304.147 2.761 0 40 DFAB Cc1c(C(=O)NCC(=O)NC(C)C)oc2c(Cl)cccc12 9389241 DPGBJJRKZBUMRC-UHFFFAOYSA-N 308.765 2.649 0 40 DFAB COc1ccc(Sc2ccc(NC(=O)NCCO)cc2)cc1 71796294 SILLPBDPUNCJFM-UHFFFAOYSA-N 318.398 2.960 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2snnc2CC)C12CCCC2 96419200 WVNAIIRIKTUHLD-STQMWFEESA-N 323.462 2.910 0 40 DFAB Cc1cccc(C[S@](=O)[C@H](C)C(=O)NCc2ccccc2)c1 71858873 VJZDHDTVJCWUIP-IVZQSRNASA-N 315.438 2.949 0 40 DFAB C/C=C/C=C/C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 71893715 HBFIKTYRTGWGBA-OQFUDAMXSA-N 304.777 2.694 0 40 DFAB O=C(CCc1nc2ccccc2o1)N1CCC[C@H]1Cn1cccn1 71866227 BHSZVCIRYBECJM-AWEZNQCLSA-N 324.384 2.648 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)Nc3cn[nH]c3)cc2)C[C@@H](C)O1 72277290 CIMZXJGVRQPGCU-TXEJJXNPSA-N 315.377 2.667 0 40 DFAB Cc1ccc(Cl)cc1OC[C@@H](O)COC1CCOCC1 97021551 OALDHGWGBYFKPJ-ZDUSSCGKSA-N 300.782 2.584 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)NCc2cc(C)on2)C12CCCC2 76084987 RSULMHSECDTCAS-UONOGXRCSA-N 307.394 2.520 0 40 DFAB CNC(=O)c1cccc(NC(=O)NC2Cc3ccccc3C2)c1C 97140869 XGAIMJOGBOMPOJ-UHFFFAOYSA-N 323.396 2.644 0 40 DFAB CC(C)C[C@@H]1CCCN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 97110774 GWHAGZDPPCNQKD-HOTGVXAUSA-N 318.417 2.900 0 40 DFAB CN1CCCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 97136490 UEVNLVBVYUUPLF-LLVKDONJSA-N 309.376 2.701 0 40 DFAB Cc1nc([C@H]2CCCN2)ncc1C(=O)Nc1ccc(F)cc1 72343610 RQRHUAKMJLSFFD-CQSZACIVSA-N 300.337 2.601 0 40 DFAB Cc1nc2n(c1C)CCN(C[C@H](O)c1ccc(Cl)cc1)C2 97201054 JUSKTQABIAXHFM-HNNXBMFYSA-N 305.809 2.703 0 40 DFAB NC(=O)[C@H]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 76062953 DYBUTLLUPSNCQH-ZETCQYMHSA-N 315.320 2.627 0 40 DFAB CN(C)C(=O)COc1ccc(NCc2ccccc2)c(F)c1 95395008 ZWCZDZAUJSIVNX-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB O=C(Nc1scnc1C1CC1)N[C@@H]1c2ccccc2C[C@@H]1O 95447734 VDEFUEHSXTVSCY-GXTWGEPZSA-N 315.398 2.800 0 40 DFAB Nn1c(SC[C@H]2CCCCO2)nnc1-c1ccccc1Cl 22132359 LKKVYPOZWFGPFL-SNVBAGLBSA-N 324.837 2.974 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC(n2ccnc2)CC1 95941117 NCBYZFOZPIHYIJ-UHFFFAOYSA-N 314.389 2.685 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)NCc1c(C)noc1C 95955189 ZZXDPRIPZQTVQV-SNVBAGLBSA-N 303.362 2.860 0 40 DFAB CNC(=O)c1cccc(C(=O)Nc2cc(-c3ccccc3)on2)c1 78997286 OSELQZVBVCMFLB-UHFFFAOYSA-N 321.336 2.954 0 40 DFAB Cc1nccn1CCCCNC(=O)N1CC[C@H]2CCCC[C@@H]21 74533953 NEUADZVBPKGYFS-CVEARBPZSA-N 304.438 2.946 0 40 DFAB CSc1ccc(OCCn2ncc3ncccc3c2=O)cc1 75092288 ODZNOMQQXKNDRF-UHFFFAOYSA-N 313.382 2.592 0 40 DFAB CN(Cc1cnccn1)C(=O)c1c(O)cc(Cl)cc1Cl 79026295 AEPCLKXQJFTGSB-UHFFFAOYSA-N 312.156 2.761 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c(=O)[nH]1 75124563 NTNVTZUZDULMHW-LSDHHAIUSA-N 314.360 2.551 0 40 DFAB C[C@H](OC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1F 79389868 VTXXMLJYMKYNGH-JQWIXIFHSA-N 323.339 2.828 0 40 DFAB COc1cccc2c1ccn2CCC(=O)NCCc1ccccn1 79488610 LOQVZRFLCNYAEZ-UHFFFAOYSA-N 323.396 2.794 0 40 DFAB CC(C)[C@@H](NC(=O)Cc1cccs1)c1nnc2ccccn12 60360094 BZZLAKLFEZGSEK-OAHLLOKOSA-N 314.414 2.847 0 40 DFAB C[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2 179812884 RSIBAYLKHFEOFI-MNOVXSKESA-N 303.362 2.670 0 40 DFAB Cc1nc(N2CCC[C@H](C(=O)O)C2)c2oc3ccccc3c2n1 32617640 GWNARYFBZRXDNG-NSHDSACASA-N 311.341 2.985 0 40 DFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 349265 UANRYPIPXHOUQN-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB biogenic COC(=O)c1c(Br)ccn1C(=O)c1ccccc1 72230714 VOTUXZVZNHKSBW-UHFFFAOYSA-N 308.131 2.726 0 40 DFAB CCOc1cc(C(=O)NCCCn2cccn2)cc2occc12 72240102 YEOPTTKYHNMHNK-UHFFFAOYSA-N 313.357 2.848 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 72359898 RDZLEYQYTDPMRN-ZDUSSCGKSA-N 317.418 2.977 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccccc2OC(C)C)CC1 219734642 ROHDEGCGOACOAN-UHFFFAOYSA-N 319.401 2.889 0 40 DFAB COCCN(C)C(=O)[C@H](C)c1ccc(Br)s1 79675773 GLTDUQWGWJHRFY-MRVPVSSYSA-N 306.225 2.719 0 40 DFAB COc1ccccc1C(=O)c1ccccc1CN1CCOCC1 43211415 PWSUJBQYISDSET-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB COC(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccn1 80481565 GVCIKDJOSQBFFO-BZNIZROVSA-N 310.353 2.532 0 40 DFAB Fc1ccc([C@H]2OCC[C@H]2NCc2noc(C3CC3)n2)cc1F 192133402 ZOIOJVDSZDBOEX-UKRRQHHQSA-N 321.327 2.845 0 40 DFAB Cc1noc(C)c1N(C)CC(=O)Nc1cc(C(C)(C)C)no1 81601319 RKVPKKYVTHRPQN-UHFFFAOYSA-N 306.366 2.652 0 40 DFAB O=C(NCc1cnn2ccccc12)c1ccc2ncsc2c1 75162690 XKUOGSIRQKEAPO-UHFFFAOYSA-N 308.366 2.874 0 40 DFAB C[C@](O)(CNC(=O)CCc1ccoc1)c1ccccc1Cl 97378980 QDGSBJBTWHHKKG-INIZCTEOSA-N 307.777 2.890 0 40 DFAB O=C(NCCc1cccnc1)N[C@@H](Cc1ccccc1)C1CC1 96413274 CYZCYXFPFUFAKG-SFHVURJKSA-N 309.413 2.945 0 40 DFAB O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC[C@@H](O)C1 96435236 CMASEGHWOQJYNA-GFCCVEGCSA-N 302.296 2.780 0 40 DFAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)c1ccccc1 146698152 DFSKKEKRJPNWQR-UHFFFAOYSA-N 323.392 2.988 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1 96192060 LWTKSDRUALUWKW-GJZGRUSLSA-N 310.397 2.956 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccnc(C(C)(C)C)n2)CC1 80766619 UWWLDSCWXQVYMI-UHFFFAOYSA-N 320.437 2.831 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(Cc1ccccc1OC)C2 96039137 KVTRGWAYQHOSKL-QZTJIDSGSA-N 305.418 2.713 0 40 DFAB CCN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccoc1 96414850 CVHDUZDEIRTCID-UHFFFAOYSA-N 323.414 2.584 0 40 DFAB COc1ccccc1[C@H](C)CNC(=O)N[C@@H]1CC[C@H](N(C)C)C1 91768679 JZKZZYNTORWXDU-KFWWJZLASA-N 319.449 2.581 0 40 DFAB c1cc(CO[C@H]2CN(C3CCCC3)Cc3ccnn3C2)ccn1 253588776 SECQPFXFNQRVEC-SFHVURJKSA-N 312.417 2.622 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@H](Cc4ccn[nH]4)C3)cc2[nH]1 257212349 CCZUSTHBQIGWGN-CYBMUJFWSA-N 323.400 2.689 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 253370925 YCZPTBCTUYCYFV-SOUVJXGZSA-N 306.410 2.604 0 40 DFAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 257250760 JNXAVKXVYRXUDS-GFCCVEGCSA-N 302.403 2.581 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1cccc(Cl)c1Cl 96414654 LCWDUNJAHIOSAA-LBPRGKRZSA-N 308.230 2.837 0 40 DFAB Cc1ccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)c(F)c1 97162069 MMEASTGWMHNTHI-UHFFFAOYSA-N 314.364 2.868 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 98014149 PEHZJMJTDPBKDM-DOTOQJQBSA-N 313.401 2.626 0 40 DFAB O=C(Cl)c1cc(I)c(F)cc1F 115123734 OAWWBFPFJBPCTN-UHFFFAOYSA-N 302.445 2.948 0 40 DFAB CCO[C@H](C)c1nccn1Cc1nc(-c2cccs2)n[nH]1 155624453 CZTLEHFMPBWDKK-SNVBAGLBSA-N 303.391 2.876 0 40 DFAB COc1ccccc1C(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1 4954531 DNOBGPNWBPVRSB-SJCJKPOMSA-N 313.353 2.654 0 40 DFAB CCOc1ccccc1Nc1ccc(N)cc1S(=O)(=O)O 1592077 YRLCWCSMBOVTJM-UHFFFAOYSA-N 308.359 2.658 0 40 DFAB in-vitro COc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)c1 6407250 WKZGWADZOTUVSH-OQLLNIDSSA-N 323.304 2.738 0 40 DFAB O=C(CC1CCCC1)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8981437 FQQNSKMFAXQWQP-CQSZACIVSA-N 318.392 2.875 0 40 DFAB Cc1cc(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)no1 579609363 VQQCRKGNWGYYOA-CQSZACIVSA-N 307.781 2.556 0 40 DFAB CCC1=C(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCO1 583621334 RKYGYGBQCHZNPM-HOCLYGCPSA-N 319.376 2.935 0 40 DFAB CC(=O)Nc1cccc(Nc2ncnc3c2ncn3C2CC2)c1 1888906667 HHTFJAQNLGHIRO-UHFFFAOYSA-N 308.345 2.863 0 40 DFAB NC(=O)c1csc(CNc2ccc(Cl)c(C(=O)O)c2)c1 93686828 WOLALNMKHUPKAQ-UHFFFAOYSA-N 310.762 2.811 0 40 DFAB CC[C@@H]1CO[C@@]2(CCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1565547032 MKWIOFVKZNRATI-KSSFIOAISA-N 313.401 2.674 0 40 DFAB O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@H]2C[C@H]1CO2 575615954 JYUZZAYOZJRWMI-LSDHHAIUSA-N 307.349 2.531 0 40 DFAB CC(=O)Nc1ccc(C(=O)NCc2ccc(C3CC3)nc2)cc1 585150438 WIPRVAMRFYBEJM-UHFFFAOYSA-N 309.369 2.847 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(C(C)(C)C)nn2)C1 2298174711 GWPXBXSHUTUJAS-CYBMUJFWSA-N 318.465 2.905 0 40 DFAB c1ccc2c(N3CCC[C@H](COc4cnccn4)C3)ncnc2c1 2298223199 RZPDUSAMHMVZPV-AWEZNQCLSA-N 321.384 2.715 0 40 DFAB CC1=C(C)[C@H](NCc2cccs2)N(C[C@@H]2CCCO2)C1=O 20123883 XEOHMZKFXGOQLG-DZGCQCFKSA-N 306.431 2.521 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)O 100127930 OCPXVYJOXILWKM-AVGNSLFASA-N 307.390 2.910 0 40 DFAB in-vitro CC(C)Nc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cs1 40284567 OPVOHFCSQDAIEZ-UHFFFAOYSA-N 319.386 2.987 0 40 DFAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)C(C)(C)C)[C@]2(O)C(F)(F)F 6522801 PYTHXMVZNBSUAX-JRKPZEMJSA-N 306.328 2.918 0 40 DFAB Cc1ccc(-n2c(C)nnc2SCc2nnc(C)o2)cc1 8090286 DJPHHVCALCNOAS-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB CN(C(=O)NCCCC(C)(C)CO)[C@@H]1CCc2ccccc2C1 86406982 RDSYCNQOWLWNHE-QGZVFWFLSA-N 318.461 2.984 0 40 DFAB O=C(CN1CCC[C@H]1c1cccs1)NC(=O)NC1CCCC1 8320066 KAHMMIDWAPMJNW-ZDUSSCGKSA-N 321.446 2.653 0 40 DFAB Cc1cc(Br)cc(C)c1NC(=O)CSCCO 8336021 QKTACDPCPCQJSD-UHFFFAOYSA-N 318.236 2.730 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1 8488996 SLTAAWHFLPDLIR-LBPRGKRZSA-N 321.398 2.743 0 40 DFAB COC(=O)[C@H](C)OC(=O)c1cccnc1Oc1ccccc1 32865205 NWUDXQPBRDKMOG-NSHDSACASA-N 301.298 2.592 0 40 DFAB NC(=O)[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1ccccc1 32869117 VVUZPAFCEJFOCK-ZDUSSCGKSA-N 321.279 2.671 0 40 DFAB O=C(CCc1cccc(F)c1)NCc1ccnc(-n2cccn2)c1 46730152 BTYWGRRBFNLLHU-UHFFFAOYSA-N 324.359 2.655 0 40 DFAB CN(CC(N)=O)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 46979588 RWQCHMWGBTZEAQ-UHFFFAOYSA-N 308.790 2.626 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N(CC)CC)cc2C)C1 57367082 YIGJINASXILEFO-AWEZNQCLSA-N 318.417 2.757 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccccn2)cc1Cl 807360 VRBPBKWODWJQFF-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O 37448362 FYXLXGFSMIYRIC-MUWHJKNJSA-N 307.177 2.561 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 104653628 FRJBBBSYXLEGPR-ZJQBRPOHSA-N 314.385 2.572 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1 56316467 ZJGBKOYYZBKORO-CVEARBPZSA-N 320.433 2.709 0 40 DFAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O1)OCO3 1582420 ZQWBWZDKENHJPC-SNVBAGLBSA-N 312.277 2.585 0 40 DFAB biogenic CN(Cc1cccc(OC(F)F)c1)c1ncnc2c1cnn2C 57150829 HDTJCQQSGZLSNO-UHFFFAOYSA-N 319.315 2.601 0 40 DFAB O=C(NCCCn1cnc2ccccc21)c1n[nH]c2ccccc12 8136220 LNYBCQJTSDCFCQ-UHFFFAOYSA-N 319.368 2.733 0 40 DFAB CC(C)C(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 57569834 FLDUONREAYHUHI-UHFFFAOYSA-N 313.401 2.545 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 57703993 ZDJGGAAZNCDCQD-UHFFFAOYSA-N 312.325 2.887 0 40 DFAB O=C(Nc1ccncc1)NC1CCN(CC2CCCC2)CC1 58017293 NVDFDXWJLALIQC-UHFFFAOYSA-N 302.422 2.858 0 40 DFAB CCCc1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)n1CC 408637386 JQDQCUAYJQCVOQ-AVGNSLFASA-N 322.478 2.647 0 40 DFAB CC1CCN(Cc2cc(=O)oc3cc4c(cc23)OCO4)CC1 2113958 UUXJHAJUIVTVIB-UHFFFAOYSA-N 301.342 2.754 0 40 DFAB biogenic CCn1ccc2cc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)ccc21 58222799 XXHYERQHHIXUPO-SWLSCSKDSA-N 313.401 2.762 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)NC[C@H](O)c1cccc(F)c1 58228116 XWJHFYHOWFEAHK-LRDDRELGSA-N 320.364 2.773 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2OC)cn1 44971067 NFWWBNZSLVUKLW-JTQLQIEISA-N 306.341 2.933 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCOC[C@H]3C)cc12 44912673 HTQFLQBCGJWIRX-LLVKDONJSA-N 321.446 2.923 0 40 DFAB O=C1CN(C(=O)CSc2ccc(F)cc2)c2ccccc2N1 3353738 QJIXCJAUDJJUKU-UHFFFAOYSA-N 316.357 2.903 0 40 DFAB O=C(Cn1ccc(C(F)(F)F)n1)N(C1CCCC1)C1CC1 58667981 KAKCRHIMEBNXMD-UHFFFAOYSA-N 301.312 2.836 0 40 DFAB COc1ccc(C(N)=O)c(OCCOc2cc(C)ccc2C)c1 48332121 SUYJIKWYKHIBOZ-UHFFFAOYSA-N 315.369 2.869 0 40 DFAB CCC[C@@H]1NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 12938411 IITBHXBKUUJOEU-LBPRGKRZSA-N 317.320 2.701 0 40 DFAB COCCCNC(=O)c1ccccc1OCc1c(C)noc1C 8394211 PJZLAGFWEIMSMQ-UHFFFAOYSA-N 318.373 2.637 0 40 DFAB COCCCC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 63830181 GOUGZHMEIMKVBI-UHFFFAOYSA-N 323.343 2.883 0 40 DFAB CCc1nc(CC(=O)Nc2[nH]nc(C(F)(F)F)c2C)cs1 64039761 ANIYCTXKMUPOBP-UHFFFAOYSA-N 318.324 2.937 0 40 DFAB CCOc1ccc(CN2CCN(Cc3cscn3)CC2)cc1 69434713 YRHFQLAELLHMKK-UHFFFAOYSA-N 317.458 2.860 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccccc1OC 4218246 FZWVAHBTTMGQTE-CZUORRHYSA-N 305.374 2.860 0 40 DFAB Cc1nnsc1SCCNC(=O)c1c(F)cccc1F 6188158 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PIFNBFGWEBSWTI-VNKDHWASSA-N 304.302 2.517 0 40 DFAB COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC 2628787 HLHOLHHDNVDQRZ-UHFFFAOYSA-N 322.386 2.659 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 6145059 SDNDFXUSMLLOMH-INIZCTEOSA-N 304.340 2.998 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3)c1 6380577 DHSHPXWXBCWRJB-UHFFFAOYSA-N 304.371 2.901 0 40 DFAB OC1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cc1Cl 236466856 OQTBTFOTFVHWQP-ULKQDVFKSA-N 317.614 2.990 0 40 DFAB COc1ccc(CN(C)[C@@H](C)C(=O)NCc2cccs2)cc1 12796996 GNLHSQPRYJGMJO-ZDUSSCGKSA-N 318.442 2.893 0 40 DFAB CCc1ccc(C(=O)N2CC[C@@]3(COc4ccccc43)C2)cn1 1565556448 ITTZTMWCWCCKCW-IBGZPJMESA-N 308.381 2.820 0 40 DFAB c1cncc(CSc2nnc3ccc(-c4ccncc4)nn23)c1 4273137 UTBDXLUBBFOGBE-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB CCCCc1c(O)nc2sc3cc(OC)ccc3n2c1=O 100025989 UKYZYFWYPMPTCC-UHFFFAOYSA-N 304.371 2.966 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 40160935 FVOHPNBGPAHIJI-RNVIBTMRSA-N 305.349 2.641 0 40 DFAB O=C(c1ccc(F)cc1)[C@@H](CN1CCNCC1)c1ccccc1 20478040 SCRCNTHGYYOTET-SFHVURJKSA-N 312.388 2.697 0 40 DFAB C[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N(C)c1ccccc1 45745457 MJJKHBPRXZASOY-ZDUSSCGKSA-N 322.405 2.629 0 40 DFAB CCOC(=O)[C@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 1612213 PQSPNPSTCJGLSC-INIZCTEOSA-N 314.385 2.942 0 40 DFAB CCc1nccn1CC1CN(C(=O)c2cccc(SC)c2)C1 1849220877 OJLKHZQFUHWXTP-UHFFFAOYSA-N 315.442 2.940 0 40 DFAB COc1ncccc1CN(C)Cc1nccn1Cc1ccccc1 83865634 ZVTUXBWJCAGQSQ-UHFFFAOYSA-N 322.412 2.967 0 40 DFAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(C)=O 4063578 SJMXPJVQCGHRGM-SZMVWBNQSA-N 303.402 2.910 0 40 DFAB biogenic Cc1ccc(Cl)cc1-n1ncc2c(NCCCO)ncnc21 20661981 XZYHCBUVQUVBED-UHFFFAOYSA-N 317.780 2.572 0 40 DFAB CCN(C(=O)COc1ccccc1C(N)=O)c1ccccc1C 32856188 XPJYYWVSXHUAHI-UHFFFAOYSA-N 312.369 2.526 0 40 DFAB c1cncc(OC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccoc3)O2)c1 107205042 AEDHRRDGMSWFAE-BZSNNMDCSA-N 314.385 2.876 0 40 DFAB CC(C)N1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 106372492 VORSMCHHJRVORT-XYJFISCASA-N 317.429 2.710 0 40 DFAB C[C@H](CNC(=O)c1cc(C2CC2)on1)N1CCc2ccccc21 33057409 WOSTWVRRLDOFCW-GFCCVEGCSA-N 311.385 2.733 0 40 DFAB CCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12 520363 JZNBCNPAYLDYQD-UHFFFAOYSA-N 308.341 2.667 0 40 DFAB COc1ccc2c(OCC(=O)NCc3ccco3)ccnc2c1 71922430 LWXYAMAJLDYRKX-UHFFFAOYSA-N 312.325 2.532 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H]1C 22597009 WRHXZMCZFCSTGI-NQBHXWOUSA-N 302.374 2.572 0 40 DFAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 104101343 INFMCOUPWJSICA-ORIJERBGSA-N 310.401 2.822 0 40 DFAB CCC(CC)[C@@H](CNC(=O)Nc1ccccc1)N1CCOCC1 23053676 RAVWEOKNTZXIOC-QGZVFWFLSA-N 319.449 2.945 0 40 DFAB CCN1CCC(NC(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 43292365 HHYIUXDXXPGBJT-GFCCVEGCSA-N 323.412 2.679 0 40 DFAB Cc1sc(=O)n(CC(=O)N2CCC[C@H]2c2ccsc2)c1C 55256755 FPHNSFHFRDDVCA-ZDUSSCGKSA-N 322.455 2.952 0 40 DFAB CN(C)c1nc(N(C)C)n(Cc2c(Cl)cccc2Cl)n1 1389131 MNFWBQYRRNZSCT-UHFFFAOYSA-N 314.220 2.765 0 40 DFAB CC(C)CNC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 24964625 AEOCVKMDTAMTID-GASCZTMLSA-N 304.434 2.682 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N2CCCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635509 JKFJQZJSVJKVBH-ILRDRHFLSA-N 322.493 2.948 0 40 DFAB CC(=O)c1ccc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 119869822 XAIYSONACZZWGE-OAHLLOKOSA-N 318.417 2.763 0 40 DFAB O=C(NC1CC1)C1CCN(CCc2ccccc2Cl)CC1 58179782 OAFLWDPPWDKCRU-UHFFFAOYSA-N 306.837 2.873 0 40 DFAB Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1C 10269939 VIOPGBGGTQFOGQ-UHFFFAOYSA-N 301.415 2.722 0 40 DFAB CS(=O)(=O)c1cccc(OCCOc2ccc(F)cc2)c1 58218869 BZXSWKAJHCBJBL-UHFFFAOYSA-N 310.346 2.687 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccncc1 58227108 KVOJXBCEHRCDCX-OAHLLOKOSA-N 310.357 2.717 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2scnc2C)c(OC)c1 44954208 CHXILMIFXFJWDV-VIFPVBQESA-N 306.387 2.960 0 40 DFAB O=c1[nH]c(CCN2CCc3sccc3C2)nc2ccccc12 44978955 WNLPYGRBXYHYNQ-UHFFFAOYSA-N 311.410 2.585 0 40 DFAB CCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1nnc2ccccn12 58325760 XGAGYSYDZUHPLR-GFCCVEGCSA-N 324.388 2.601 0 40 DFAB COc1ccccc1C1(CNC(=O)c2ccnn2C)CCCC1 58357468 MIZGXWLYNBXCDY-UHFFFAOYSA-N 313.401 2.671 0 40 DFAB O=C(COC(=O)c1cccc2ccccc12)NCc1ccco1 3270622 KPPBEEZPTNSUCM-UHFFFAOYSA-N 309.321 2.906 0 40 DFAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(F)cc3F)cc2[nH]1 3356642 MUCYATCTBSDEDK-UHFFFAOYSA-N 320.324 2.943 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCc2cccs2)c1C 3372917 PWBGMPQEWJYYMJ-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB Cc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3362200 FGGSUSUUGGUGAZ-IBGZPJMESA-N 324.380 2.841 0 40 DFAB C[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 12801144 YIRFAKJHPPPPMT-CYBMUJFWSA-N 300.427 2.984 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2c[nH]c3ccccc23)n1 48407768 DUGQNINTXJQALY-ZDUSSCGKSA-N 324.428 2.976 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(O)cc1 3525649 GSYXLCXOMZCSGW-LBPRGKRZSA-N 311.337 2.527 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCC[C@H](C)C3)C(=O)[C@H]2C)cc1 13098141 KSDDCELLFKCJSS-LSDHHAIUSA-N 315.417 2.842 0 40 DFAB O=C(O)C1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 13167027 HTRZXABDVUMEGP-UHFFFAOYSA-N 316.184 2.859 0 40 DFAB COCC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 69462525 PDGYZORCIULJHT-HNNXBMFYSA-N 321.417 2.664 0 40 DFAB CC(C)(C)c1ncc(C(=O)O[C@H](C(N)=O)c2ccccc2)s1 64222228 ALXZYLPZVHJILX-LBPRGKRZSA-N 318.398 2.824 0 40 DFAB CCc1ccccc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 5036444 CMVAJPFZLLHIJB-UHFFFAOYSA-N 321.384 2.850 0 40 DFAB O=C(COc1ccc2ccccc2c1)NCCCn1cccn1 28229248 PDDGWSKVVRYNJD-UHFFFAOYSA-N 309.369 2.622 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1c1ncnc2sccc12 65487818 MWKMPPNKULBNHV-GFCCVEGCSA-N 304.419 2.529 0 40 DFAB COCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 14189132 ZOXMEYLXZHDGOD-UHFFFAOYSA-N 308.378 2.800 0 40 DFAB CCC[C@H]1NC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1=O 14182439 OSMQXEBWCKGWID-HUUCEWRRSA-N 301.390 2.502 0 40 DFAB CN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 4676131 DTWMYVADEDDGLK-ASPXRTSYSA-N 303.361 2.683 0 40 DFAB CCN(CC)CCCN(C)[C@H](C)C(=O)Nc1ccccc1OC 69702631 STGPHAMVOSCLPO-OAHLLOKOSA-N 321.465 2.686 0 40 DFAB O=c1ccccn1CCCNc1ccnc(-c2ccccc2)n1 69777909 DFRXBPDKBCEJLF-UHFFFAOYSA-N 306.369 2.808 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)/C=C/c2ccccc2)c1 69780533 JFAIXUGABMPQSG-ZHACJKMWSA-N 324.380 2.853 0 40 DFAB COc1ccc(COC[C@H](O)CNC2CCC(C)CC2)cc1 6881772 CDOHCGULOBLPRV-BDVYOWHSSA-N 307.434 2.741 0 40 DFAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1c(F)cccc1Cl 69817293 SKFZNIXGUCKVJM-HOGDKLEQSA-N 305.802 2.643 0 40 DFAB COc1ccc(F)cc1[C@@H](C)NC[C@@H]1CNc2cc(C)nn2C1 69847936 BFHJMSMSTGYBNI-CHWSQXEVSA-N 318.396 2.732 0 40 DFAB CC(C)(C)SCCNC(=O)C(=O)Nc1cc(F)ccc1F 67597901 JUJJAIZZTFTUNU-UHFFFAOYSA-N 316.373 2.551 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)c1ccnc(Cl)c1 81098747 GFVVGOIFGLUFGD-NSHDSACASA-N 320.776 2.941 0 40 DFAB COC(=O)c1ccc(N[C@@H]2CCN(C(C)C)C2=O)cc1Cl 81158939 NPTCUPBWRHMZHC-CYBMUJFWSA-N 310.781 2.548 0 40 DFAB Clc1cccc(Cl)c1Cc1nc([C@H]2COCCN2)no1 96001485 LSQRAIJKFQXKJQ-LLVKDONJSA-N 314.172 2.628 0 40 DFAB O=c1c2ccccc2cnn1CCN1CCCc2ccccc21 89873283 PODRNHHJMGJQBN-UHFFFAOYSA-N 305.381 2.849 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C12CCC2 96423903 YPXJXZYCZFHGHJ-ZIAGYGMSSA-N 305.422 2.716 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)C1CCOCC1 96423019 IOOSXKSBOZNHGF-CQSZACIVSA-N 322.836 2.852 0 40 DFAB C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)n1ccnc1 71820034 ACSGTKXCEFFJHL-SWLSCSKDSA-N 319.792 2.698 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@H](C)C(=O)N(C)c1ccccc1 71858933 GKBGYZURUMTJTQ-MCMMXHMISA-N 320.414 2.592 0 40 DFAB Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@H]1C1CCCC1 84012162 HBLUMVATFKIKAZ-QGZVFWFLSA-N 318.465 2.944 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1 84290574 YGAREQQIUSCTFZ-JTQLQIEISA-N 304.375 2.689 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CC[C@H]1CCCO1)C2 97198387 JFCNONJWZMYSBF-UONOGXRCSA-N 319.449 2.571 0 40 DFAB Cc1cccc(NC(=O)N[C@H](CO)C(C)C)c1Br 97162601 DXHNJKWONWCQAV-LLVKDONJSA-N 315.211 2.896 0 40 DFAB CC(C)[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)C(N)=O 84370664 GLOIBPWFNXSHNX-HNNXBMFYSA-N 321.384 2.614 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)COCC(C)C)o1 95398076 UWFSQMRFUAWUEI-ZFWWWQNUSA-N 324.421 2.732 0 40 DFAB O=C(CSc1cn[nH]n1)NCCC12CC3CC(CC(C3)C1)C2 95471379 JSOTYUISADAWPE-UHFFFAOYSA-N 320.462 2.620 0 40 DFAB COCc1cc(N2CCCC[C@H]3CCCC[C@@H]32)n2ncnc2n1 95457992 NRJSSAWMXMCIHL-HIFRSBDPSA-N 315.421 2.820 0 40 DFAB Cc1cnn(-c2ccncc2NC(=O)c2cc(C(C)C)n(C)n2)c1 95434650 KFGSASVCFWOVES-UHFFFAOYSA-N 324.388 2.685 0 40 DFAB COCc1cc(C(=O)N[C@@H](C)Cc2ccccc2Cl)no1 95403454 CQORNNNNIQECLN-JTQLQIEISA-N 308.765 2.835 0 40 DFAB CN(C)[C@H](CNc1nc2ccccc2c(=O)[nH]1)c1ccccc1 97994929 PNGPEAOCUMWVRY-MRXNPFEDSA-N 308.385 2.638 0 40 DFAB COc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)c(OC)c1 78984341 PKCHAOJSUSDCSV-KRWDZBQOSA-N 314.385 2.945 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@@H](CC(=O)O)c1cccs1 95947084 VBTAWKQLOJYTJN-LBPRGKRZSA-N 322.386 2.618 0 40 DFAB O=C(Cn1cc(C2CC2)nn1)N1CCCC2(CCCCC2)C1 95966117 ZKSRQFJZKUPSPQ-UHFFFAOYSA-N 302.422 2.728 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C1 95969519 LTKBBRGNODKCRM-SNVBAGLBSA-N 320.776 2.687 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(F)c1F 95986034 LQWVBOYCXNAZPH-QMMMGPOBSA-N 308.332 2.594 0 40 DFAB C[C@H](c1ccccc1F)N(C(=O)NCCC(=O)N(C)C)C1CC1 75094255 KSNSNAPIJAXYRW-GFCCVEGCSA-N 321.396 2.539 0 40 DFAB COc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 31732682 XIOBMAIYMHGVGR-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB O=C(O)CN[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 79416292 SNTUTLXNFPOXEH-IRXDYDNUSA-N 302.418 2.636 0 40 DFAB COc1ccc(-c2noc(CNC(=O)OC(C)(C)C)n2)cc1F 70458821 BXIRICGFBOQKKP-UHFFFAOYSA-N 323.324 2.909 0 40 DFAB COc1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 32593646 VRSTZLKVJALHQJ-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB biogenic CCc1ccc2nc(NCCCN3CCOCC3)sc2c1 36657633 JCBDNAHRCUUDLO-UHFFFAOYSA-N 305.447 2.993 0 40 DFAB COC(=O)[C@@H](c1ccccc1F)N(C)Cc1nc(C)cs1 72665586 RHMYNTNOLSHPMP-CQSZACIVSA-N 308.378 2.937 0 40 DFAB Cc1ccc2c(c1)[C@@H](NCC1(N(C)C)CCOCC1)[C@H](C)C2 180543661 DACUVMXRDZIFPW-QAPCUYQASA-N 302.462 2.929 0 40 DFAB CC(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375121 XPOIZYJHFUUGIR-HNNXBMFYSA-N 311.389 2.915 0 40 DFAB COC(CN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)OC 249329650 HLGHUWLTMCHVPI-ZWKOTPCHSA-N 318.461 2.592 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CC(COc2ccccc2)C1 225560292 DDOYIGMJCXUTRY-UHFFFAOYSA-N 319.364 2.781 0 40 DFAB O=C(c1ncccc1O)N1CCC[C@H]1C[C@@H](O)c1cccs1 130623733 PHMQGFJAUCVBOZ-WCQYABFASA-N 318.398 2.577 0 40 DFAB CCCOC(C)(C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225837330 HOKHKEAMRRIBKV-UHFFFAOYSA-N 309.362 2.626 0 40 DFAB COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)ccn1 41096158 SJKAXSIQZDMWCA-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB O=C(Nc1nc(-c2ccoc2)n[nH]1)c1occc1Br 81727950 GVBDDUQOOXCCNY-UHFFFAOYSA-N 323.106 2.673 0 40 DFAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC[C@@H]1CCCO1 224340287 VUYKMLZRRKUAKZ-HIFRSBDPSA-N 303.402 2.628 0 40 DFAB COC(=O)c1cc(C(=O)OC)c2cc(Br)ccc2n1 138470088 WYXGEMRBCCUOQW-UHFFFAOYSA-N 324.130 2.571 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2C)cc1 225596550 KVOKYDKJESIMAH-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1 96041892 KPWQCURJTVNYPG-ARFHVFGLSA-N 318.348 2.625 0 40 DFAB c1cc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)cs1 96059740 BUBYIZOLBDFGSR-OAHLLOKOSA-N 303.431 2.758 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@H]2CCc3c(F)cccc32)n1 96444660 WOXCMCAZTCZSFQ-ZDUSSCGKSA-N 320.393 2.538 0 40 DFAB Cn1nc(CN2CCCCC2)c2c1CN(Cc1ccoc1)C2 96259132 JJHHHNRKKIERPG-UHFFFAOYSA-N 300.406 2.515 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(OC(F)F)c1)CC(=O)O2 95472518 LPWQZBSDOYBMSW-NSHDSACASA-N 321.279 2.726 0 40 DFAB COCCOc1c(C(=O)O)oc2ccc(Br)cc12 96510847 GXZMNPMWKOZVTQ-UHFFFAOYSA-N 315.119 2.919 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CC1(Cl)Cl 97414576 DVJRDBGLFLBPKQ-RXMQYKEDSA-N 315.078 2.526 0 40 DFAB CC(=O)N1CC[C@@H](Cc2cc(-c3nc(C)c(C)s3)ncn2)C1 257304510 SLZFXRXWWUVEOE-ZDUSSCGKSA-N 316.430 2.628 0 40 DFAB CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1[nH]ncc1C 257263703 LRBZUDIEFJMSOZ-CYBMUJFWSA-N 302.378 2.944 0 40 DFAB Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 269975113 YMZYJXQOKWKQBQ-RNCFNFMXSA-N 302.378 2.702 0 40 DFAB C[C@@H](CC(=O)O)CC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 578549563 RNUMWCRPQGVCPS-ZJUUUORDSA-N 309.328 2.924 0 40 DFAB CC(C)CCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575404781 PZFGFWVFACKQJB-HNNXBMFYSA-N 318.417 2.657 0 40 DFAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCCCN(C)C)[C@H]1O 585288847 KFLQVWGBZZDUPU-QXAKKESOSA-N 320.477 2.587 0 40 DFAB COc1c(C)cnc(CNC(=O)/C=C/c2csc(C)n2)c1C 50448549 NGSKOBAUFUHETQ-AATRIKPKSA-N 317.414 2.802 0 40 DFAB O=C(Nc1cn[nH]c1)N(Cc1ccccc1)C[C@H]1CCCO1 57029869 AIPGLJDLHUBJHV-OAHLLOKOSA-N 300.362 2.623 0 40 DFAB Cn1c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n[nH]c1=S 65565075 JPYDFUGTARWKBC-UHFFFAOYSA-N 320.393 2.637 0 40 DFAB O=S(=O)(CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 69592160 ZGCIAZAXRUWHST-KRWDZBQOSA-N 315.438 2.950 0 40 DFAB Cc1ccccc1OC[C@@H](O)CN[C@@H](C)c1c(C)noc1C 95405649 ANKNRSFXYIGWBI-WFASDCNBSA-N 304.390 2.690 0 40 DFAB Cn1ccnc1CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78911110 RMCUWEUAZRVWIF-OLZOCXBDSA-N 323.318 2.859 0 40 DFAB O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc2ccccc2o1 97018028 NDVZDHHSHMGJLR-UHFFFAOYSA-N 321.332 2.785 0 40 DFAB COc1cc(NC(=S)NC2CCCC2)cc(OC)c1OC 17032135 HVQDFHIMFRWGPC-UHFFFAOYSA-N 310.419 2.941 0 40 DFAB Cn1ccc([C@H]2CCCCCN2C(=O)c2c(Cl)cnn2C)n1 19291025 MIXYZTXCNWYXQR-CYBMUJFWSA-N 321.812 2.565 0 40 DFAB O=C(C[C@H]1COCCN1Cc1cccnc1)c1cccs1 154440344 KLEBCVRADSDWCP-AWEZNQCLSA-N 302.399 2.617 0 40 DFAB O=C(c1ccccn1)N1CCO[C@H](Cc2ccc(Cl)cc2)C1 607855039 DHMIKXNEICKGEM-OAHLLOKOSA-N 316.788 2.819 0 40 DFAB COc1cc(/C=C/C(N)=O)ccc1OCc1cccc(F)c1 226335824 UINISCSNENETLU-SOFGYWHQSA-N 301.317 2.912 0 40 DFAB COc1ccc(-n2c(CN3CCOCC3)nc3ccccc32)cc1 29922526 HJINTLMJTSGEGD-UHFFFAOYSA-N 323.396 2.866 0 40 DFAB O=C(COC(=O)c1cc2c(s1)CCCC2)NCc1ccco1 2629274 XZXYGQZPXPERSU-UHFFFAOYSA-N 319.382 2.693 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1 4743541 YHJBVWOVCNSJRL-ZDUSSCGKSA-N 311.223 2.663 0 40 DFAB Cn1cc(-c2ccc(CCNC(=O)c3ccoc3)s2)cn1 1889149440 DSPAICDFYLGDQU-UHFFFAOYSA-N 301.371 2.714 0 40 DFAB O=C(NC[C@H]1COC2(CCCC2)O1)c1c(F)cccc1Cl 10220488 OAEHQBPCWVNHDE-JTQLQIEISA-N 313.756 2.895 0 40 DFAB Cc1cc(C(=O)/N=c2/sc3cccc(Cl)c3n2C)on1 101315235 HVJBIRAMXAYMEO-FYWRMAATSA-N 307.762 2.931 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)CCCC2 4284083 XSWJRDXIPNRKII-UHFFFAOYSA-N 320.348 2.701 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)c2ccccc2Br)o1 49410676 WBHJDWBDNOPNDM-LBPRGKRZSA-N 324.174 2.814 0 40 DFAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCCCCC1 40074763 AKQHQRYZTMOCGE-UHFFFAOYSA-N 304.781 2.937 0 40 DFAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1csc(-c2ccco2)n1 40108198 XFHCDYGPJHFCND-DGCLKSJQSA-N 317.414 2.760 0 40 DFAB C[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccc2c(c1)OCCO2 40497459 WBWKUIBVQYHEMQ-SNVBAGLBSA-N 313.357 2.549 0 40 DFAB CCCC1=NN(C(=O)c2cocc2C)[C@@](O)(C(F)(F)F)C1 302701 VTPBLKLHOYNSKD-LBPRGKRZSA-N 304.268 2.841 0 40 DFAB CN(CC(=O)N(C)C)Cc1coc(-c2cccc(Cl)c2)n1 45735853 UMDNZUUOYBHOJR-UHFFFAOYSA-N 307.781 2.515 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)oc2ccc(Cl)cc12 40521534 UEGACOQAUZGOPZ-LBPRGKRZSA-N 320.776 2.793 0 40 DFAB CO[C@](F)(C(=O)NC12CC3CC(CC(C3)C1)C2)C(F)(F)F 4833119 DZSVCBCYJJSFFZ-YXOKVQKXSA-N 309.303 2.946 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 6252333 CVHMZXICTNOCTB-CQSZACIVSA-N 315.417 2.989 0 40 DFAB Cc1nn(C)c(C)c1Nc1nc(C2CC2)nc2c(C)nn(C)c12 57355977 WRNAGVNKHYYKNQ-UHFFFAOYSA-N 311.393 2.643 0 40 DFAB O=C(NCc1cccnc1-n1ccnc1)c1ccc(Cl)cc1 32777589 LSBPYLCASAKIGU-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB CSc1nnc(C)n1NC(=O)CC12CC3CC(CC(C3)C1)C2 107800094 JCCMUOUZHQZXMD-UHFFFAOYSA-N 320.462 2.985 0 40 DFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)o1 21411785 ZKBWZMBJPMWRIJ-UHFFFAOYSA-N 318.760 2.990 0 40 DFAB C[C@@H]1C[C@H](OC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)O1 32893230 WHNPTLPJEMCZEP-HWPZZCPQSA-N 322.316 2.759 0 40 DFAB Cc1c(C(=O)n2nc(N)c3ccccc32)cnn1-c1ccccc1 32922263 TXQAYNRHAFLJHG-UHFFFAOYSA-N 317.352 2.801 0 40 DFAB CC(C)CN1CCC(NC(=O)[C@@H](C)Oc2cccc(F)c2)CC1 42393789 IFRIWQRMEFYQQE-CQSZACIVSA-N 322.424 2.830 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 100237491 IPDBSUZSHWFZDN-RTWAVKEYSA-N 324.163 2.826 0 40 DFAB Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H]1C[C@H]2CC[C@H]1O2 110638618 VRMDJVHWYWHDAH-LJIGWXMPSA-N 318.417 2.629 0 40 DFAB c1ccc2oc(C3CCN(c4ncnc5[nH]ncc45)CC3)nc2c1 12547880 PBVZORZUQVPVGO-UHFFFAOYSA-N 320.356 2.878 0 40 DFAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)Cc1ccccc1 104907631 FDIPTVMIVDDHIU-CYBMUJFWSA-N 321.779 2.741 0 40 DFAB COCC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C 55593872 HHMIEUZDOBMGLT-BETUJISGSA-N 318.417 2.698 0 40 DFAB CSCc1noc(CCC(=O)NC2[C@H](C)CCC[C@H]2C)n1 178499355 ZMDNYUWGBKQLFR-GHMZBOCLSA-N 311.451 2.806 0 40 DFAB Cc1cccc(C(=O)NC2(c3noc(C)n3)CCCCC2)n1 25598850 HKUFUIURPZGDJI-UHFFFAOYSA-N 300.362 2.671 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(C)no1 57174777 DDMVVOQOBKMUJB-LBPRGKRZSA-N 301.346 2.835 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 108106000 HIIFHLZCLPBHFE-OWTLIXCDSA-N 312.435 2.675 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1ccc(N2CCCC2)c(C)c1 57443816 AALMGOPEXQZZGH-OAHLLOKOSA-N 320.433 2.975 0 40 DFAB NN1C(=O)c2cccc3c(C(=O)c4ccccc4)ccc(c23)C1=O 3239583 NTOLCGHJCPJVHY-UHFFFAOYSA-N 316.316 2.541 0 40 DFAB Nc1nc(COC(=O)c2c(F)cccc2F)nc2ccccc12 8162626 MOAMFKQAMHYODJ-UHFFFAOYSA-N 315.279 2.847 0 40 DFAB CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C)c1C 12758246 WUQXMQUECTUYPW-UHFFFAOYSA-N 312.435 2.868 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nc3ncccc3[nH]2)n1 70039946 SINJRGOGJASXLC-HNNXBMFYSA-N 324.432 2.826 0 40 DFAB CCOc1cccc(CNC(=O)Cc2cn3cccc(C)c3n2)c1 69350146 KGPIQWKXZJSHPW-UHFFFAOYSA-N 323.396 2.900 0 40 DFAB CCn1cc(S(=O)(=O)Nc2ccc3ccccc3c2)cn1 17030696 YIUSXKZFQQQMPB-UHFFFAOYSA-N 301.371 2.857 0 40 DFAB Cc1ccc(CN(C(=O)NCCC(=O)N2CCCC2)C(C)C)o1 69460517 WKUYDLQSIUIJBJ-UHFFFAOYSA-N 321.421 2.521 0 40 DFAB CCN1CCCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 69580774 FDYJVZSRQURHTD-CQSZACIVSA-N 322.474 2.730 0 40 DFAB Cc1ccc(/C=C/C(=O)NCCCNC(=O)c2cccs2)o1 69569499 RPLHMSMUVVXVLM-BQYQJAHWSA-N 318.398 2.599 0 40 DFAB Cc1sc2nc([C@H](C)OC(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2c1C 6370540 FDIJDPOLVAILGS-KADJCCMJSA-N 306.387 2.862 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc21 65623886 HBATZSLRMXBATD-AWEZNQCLSA-N 308.385 2.852 0 40 DFAB CCCCS(=O)(=O)Nc1cnn(Cc2ccc(F)cc2)c1 14222798 KGVUBLVAGKBZKO-UHFFFAOYSA-N 311.382 2.612 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1 4660905 MVGUYQORWHMCPN-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB O=C(O)c1nn(Cc2ccccc2Cl)c(=O)c2ccccc12 4772419 YDUIFTSCBFPHCI-UHFFFAOYSA-N 314.728 2.796 0 40 DFAB COc1cccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 5689349 RRKRFTMOZAZSFC-UHFFFAOYSA-N 306.387 2.532 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NC2CCSCC2)C1 90201678 ZRIXSRNUHGYIGE-ZDUSSCGKSA-N 300.468 2.871 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12 69947446 BELNUAOCJBCTTA-ROUUACIJSA-N 323.440 2.863 0 40 DFAB Cc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)N(C)C 8728014 YBWXRCLDLHHPPF-UHFFFAOYSA-N 324.446 2.764 0 40 DFAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)[nH]n1 96001219 OEXZEGFLTFVJHD-CYBMUJFWSA-N 317.393 2.982 0 40 DFAB COCCOc1ccccc1C(=O)Nc1cccc(N)c1C 19736338 BBXCHDQPVMSLIB-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB Cc1[nH]c(C(=O)Nc2cccnc2)c(C)c1C(=O)OC(C)C 9365401 DKBAZALEJGBNDN-UHFFFAOYSA-N 301.346 2.844 0 40 DFAB Cc1ccccc1OCn1ccc(C(=O)NCc2ccco2)n1 27972140 WIMDAKAGJLTPNP-UHFFFAOYSA-N 311.341 2.751 0 40 DFAB CC[C@@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@H]1O 89948607 ATHQUTRGQKOVQF-IUODEOHRSA-N 309.431 2.557 0 40 DFAB CC(C)CC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 72294597 GAEYTIBJBBFJDD-FUHWJXTLSA-N 318.461 2.828 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)NOCc2ccccc2)C1 72274325 GNAZBNCMZHHUBJ-MRXNPFEDSA-N 305.422 2.538 0 40 DFAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1[C@@H](C)O 72296242 IYVBWGOKZUNELU-GFCCVEGCSA-N 312.369 2.993 0 40 DFAB CC[C@@](C)(CO)NC(=O)Cc1cccc2ccc(OC)cc12 97081749 MPVNNSAZDVVRJX-SFHVURJKSA-N 301.386 2.668 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)[C@H]2CC=CCC2)C(=O)O)c1 97018734 TYDMQRXSFXPUKP-JKSUJKDBSA-N 301.386 2.711 0 40 DFAB C[C@H](N[C@H](C)C(=O)N(C)C)c1noc(-c2ccc(Cl)cc2)n1 97112486 OLCGFPYBDYLZBB-VHSXEESVSA-N 322.796 2.517 0 40 DFAB COCCOc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 72304751 HKMHPFKAPFWAFY-ZFWWWQNUSA-N 319.405 2.903 0 40 DFAB c1cc(-c2nc3c(c(N4CCO[C@@H]5CCC[C@@H]54)n2)CCC3)ccn1 72313925 OHSVVYSYRYWTSQ-DLBZAZTESA-N 322.412 2.785 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1scnc1C 89948793 XORZVRHAVPCEGP-OCCSQVGLSA-N 307.463 2.578 0 40 DFAB O=C([C@@H]1CCCO1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 84369130 YBPOXEVAGZYKPL-WBVHZDCISA-N 315.369 2.521 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1ccc(Cl)c2cccnc12 76018448 VUHQPNGVAWDXPV-HNNXBMFYSA-N 324.833 2.732 0 40 DFAB CC[C@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)c1nc(C)n[nH]1 84613897 PPWISTDZKJZQCN-ABAIWWIYSA-N 316.405 2.883 0 40 DFAB CCOC[C@@H](O)CN(CC)Cc1ccc(Br)s1 95396828 LNHPIXBDNYGOST-JTQLQIEISA-N 322.268 2.730 0 40 DFAB CCCOc1ccc(OCC(=O)N[C@H](CC)C[C@@H](C)CO)cc1 84758567 CMDNBPSIRHTRQJ-HUUCEWRRSA-N 323.433 2.768 0 40 DFAB C[C@H](NC(=O)c1cncc(O)c1)c1ccc(-c2cncnc2)cc1 95449860 MWIISYHZSXXQOF-LBPRGKRZSA-N 320.352 2.735 0 40 DFAB Cc1cc(NC(=O)NCCNC(=O)OC(C)(C)C)ccc1F 78402643 YDGNLRXZFDNTBM-UHFFFAOYSA-N 311.357 2.780 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2cc(COC)on2)C12CCCCC2 98016443 MOJPEPAJXLXDAD-CABCVRRESA-N 322.405 2.679 0 40 DFAB CCOC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F 95629943 XCKXLFSCXBEANV-CYBMUJFWSA-N 307.337 2.832 0 40 DFAB in-vitro COC(=O)c1ccccc1NCC(=O)NCc1cccc(C)c1 78640167 WBSCMLWCMGCNCJ-UHFFFAOYSA-N 312.369 2.510 0 40 DFAB CC(C)c1nn(C)cc1[C@@H]1NC(=O)CN1CCC1CCCCC1 95938982 XERYAQXPDLPFHB-GOSISDBHSA-N 318.465 2.944 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1O 78997657 YRYAPTNAWYNSIK-NYHFZMIOSA-N 317.410 2.550 0 40 DFAB CN(Cc1cccs1)C(=O)CN1CCC[C@@H]1c1ccc[nH]1 78972605 PVWBUEPEKXYQSF-OAHLLOKOSA-N 303.431 2.872 0 40 DFAB CN(c1cccnc1)S(=O)(=O)c1ccc2c(c1)CCCC2 74915671 SIUKAFKKVXQXRV-UHFFFAOYSA-N 302.399 2.786 0 40 DFAB O=C(Nc1nncs1)N1CC(Cc2ccccc2Cl)C1 75103686 NDOOIQQBSRBAGH-UHFFFAOYSA-N 308.794 2.898 0 40 DFAB O=C(NC1CCCCC1)c1cc2nccc(C(F)(F)F)n2n1 1548506890 RLHHJIVGJOMSKM-UHFFFAOYSA-N 312.295 2.811 0 40 DFAB O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(F)c(F)c1 20634706 QPTJSDYRVOCTAD-AWEZNQCLSA-N 317.295 2.726 0 40 DFAB CNc1ccc(C(=O)NC[C@H](O)c2cccc3ccccc23)nc1 1557445194 HGTZRPYKZZMYEF-SFHVURJKSA-N 321.380 2.740 0 40 DFAB c1cc2c(cc1Cc1nc(-c3ccc4c(c3)OCO4)no1)OCO2 504829269 VLYIHUDBXFSWST-UHFFFAOYSA-N 324.292 2.785 0 40 DFAB O=C(CCNC(=O)Oc1ccccc1)NCCc1ccccc1 408997388 GPWFXRZVXUPDPB-UHFFFAOYSA-N 312.369 2.524 0 40 DFAB CCn1ncc(CNC(=O)Nc2ccc(F)c(C3CC3)c2)n1 529097873 VYSBSEMYAPGJCT-UHFFFAOYSA-N 303.341 2.636 0 40 DFAB c1cnc2nc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 35442894 JABHGXUETUGRGZ-ZDUSSCGKSA-N 322.368 2.676 0 40 DFAB biogenic,in-vitro O=C(c1cccnc1)C1CCN(C(=O)c2cccs2)CC1 72346684 LBINMSLYHWMVKH-UHFFFAOYSA-N 300.383 2.878 0 40 DFAB CCOC(=O)c1cc(I)ccc1OCC 39951630 BBKUZPZRXGMQJO-UHFFFAOYSA-N 320.126 2.867 0 40 DFAB CCN1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 72384599 CWHXEEUAYSZHOD-GFCCVEGCSA-N 304.423 2.927 0 40 DFAB C[C@H](C(=O)Nc1ccccn1)n1nc(-c2ccccc2)ccc1=O 38670912 UPQFPVZZZIKPIA-CYBMUJFWSA-N 320.352 2.505 0 40 DFAB COCCOc1cc(C(=O)N[C@H](C)c2ccccc2)ccn1 180460939 KGDBLUBJZMOZRI-CYBMUJFWSA-N 300.358 2.598 0 40 DFAB Cn1cc(CNC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cn1 79098493 BLYKQJQMJFUQBX-GOSISDBHSA-N 312.417 2.683 0 40 DFAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CC1 224514486 SXFUSDCQZSDLQW-WJDWOHSUSA-N 310.353 2.638 0 40 DFAB CCC(C)(C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224391355 XSMMBEQNOAVWCN-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB O=C(O)CCc1cnc(COc2cccc3ccccc23)[nH]c1=O 223444834 QPKVUIQWLLHHDK-UHFFFAOYSA-N 324.336 2.519 0 40 DFAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199416187 AJVYBTZYAYHHBI-SFHVURJKSA-N 311.381 2.882 0 40 DFAB CCC(=O)N1CC[C@@H](NC(=O)N[C@H](C)CC2CCCCC2)C1 194516457 GEPPFNIYYVKGSZ-UKRRQHHQSA-N 309.454 2.655 0 40 DFAB Cc1nnc(N2C[C@@H](OCC3CCCC3)[C@H]3OCCC[C@H]32)s1 96042405 WUFXMOQDJDFCJV-KFWWJZLASA-N 323.462 2.790 0 40 DFAB CC1(C)C[C@@H](NCc2ccnc(O[C@@H]3CCOC3)c2)C(C)(C)O1 90954774 RTJLLBSTHLNLKD-HUUCEWRRSA-N 320.433 2.685 0 40 DFAB CSCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 97049297 HJYXPQIPOJEEBT-GJZGRUSLSA-N 306.475 2.719 0 40 DFAB CN(CCc1ccncc1)C(=O)[C@H]1CCOc2ccccc2C1 95526120 IZPUBJOVKNMSMJ-KRWDZBQOSA-N 310.397 2.724 0 40 DFAB C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1nnc(C2CCC2)o1 96410338 PGJHBQMTZIQEDZ-LLVKDONJSA-N 324.425 2.682 0 40 DFAB O=C(NCCc1csc2ccccc12)C1(O)CCSCC1 96486992 RQCGTOGXMIOKCG-UHFFFAOYSA-N 321.467 2.818 0 40 DFAB CC(C)(CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)O 97231274 SXMNOEXYQKZBGQ-IUCAKERBSA-N 313.756 2.810 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C2CC=CC2)C1 97104007 NUWFVSSSGYKRPM-KGLIPLIRSA-N 308.422 2.905 0 40 DFAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC[C@@H]1c1ccn[nH]1 257333816 YDEJFBDJXMOGHE-MRXNPFEDSA-N 322.372 2.562 0 40 DFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@H]2CN)cc1 252514081 BCRHMPAUVDFHRX-RCCFBDPRSA-N 315.438 2.764 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccccc1OC 298131738 YLCHVPFZZBATGC-CQSZACIVSA-N 320.433 2.644 0 40 DFAB Cn1cc([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cn1 681294100 NHUAZYCIGVEWDA-GFCCVEGCSA-N 305.328 2.718 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c(=O)[nH]1 75122781 HHFJDMKFAXTSAO-VIFPVBQESA-N 308.740 2.967 0 40 DFAB CNC(=O)Cc1noc(-c2cc3c(s2)CCC(C)(C)C3)n1 95413902 PWEZLDAQWJDWAF-UHFFFAOYSA-N 305.403 2.602 0 40 DFAB CO[C@H](C)c1nc(CSc2nnc(N)n2C(C)C)cs1 96447735 UFPGAXQCDIYQMQ-MRVPVSSYSA-N 313.452 2.897 0 40 DFAB CS(=O)(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1 11660955 PWVAVSAJJISRKS-UHFFFAOYSA-N 324.446 2.901 0 40 DFAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 15331138 VXKYJPLWUMUYOC-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB O=c1c2ccccc2nc2n1CCN(Cc1cccs1)CC2 19375973 ZGICQOFQZHKGSR-UHFFFAOYSA-N 311.410 2.516 0 40 DFAB CC[C@@H](C)NC(=O)Cn1c([C@@H]2CCCO2)cc2cccnc21 19499979 JHLQLINDGIGJDC-DOMZBBRYSA-N 301.390 2.803 0 40 DFAB CNC(=O)CCCC(=O)NC1(c2ccccc2)CCCCC1 153471849 PFMBLYWZSANRHO-UHFFFAOYSA-N 302.418 2.879 0 40 DFAB CCOC(=O)CC[C@H](C(=O)OCC)P(=O)(OCC)OCC 5574735 DLTFFRUPBFVOQD-LLVKDONJSA-N 324.310 2.528 0 40 DFAB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NC(C)(C)C 6922324 OEOHJFOOPJMYIV-UHFFFAOYSA-N 303.358 2.703 0 40 DFAB CC[C@@H](C(=O)N(C)C1CN(c2ccccn2)C1)c1ccccc1 1888866693 KVDKBEVIQDDDOH-QGZVFWFLSA-N 309.413 2.922 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)s1 21804628 FJRDKHNPHTYQMF-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H]2CN(c3ncccc3F)C[C@@H]2C1 2087018056 OWYWLMVGKBWEBO-VXGBXAGGSA-N 307.369 2.524 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 10220505 KHUIBHQGBFXISS-OAHLLOKOSA-N 305.374 2.501 0 40 DFAB Cn1nc(-c2ccc(NC(=O)c3cccs3)cc2)ccc1=O 10325271 XSORWQPWSKEVIG-UHFFFAOYSA-N 311.366 2.761 0 40 DFAB Cc1cc2ncc(NC(=O)CSCc3ccccc3)cn2n1 206737433 PIGBMHIKINKLGG-UHFFFAOYSA-N 312.398 2.910 0 40 DFAB Cc1nn(Cc2ccc(F)cc2)c(=O)c2c1cnn2C(C)(C)C 36665580 UNAMUGMCYOCUOA-UHFFFAOYSA-N 314.364 2.844 0 40 DFAB COC(=O)[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(C)C 2433963 KRWUPCIQJYNXJB-ZFWWWQNUSA-N 306.406 2.505 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC(N(C)C(C)C)CC2)c(C)c1 40158377 ZGUMAAMKHPUKRD-UHFFFAOYSA-N 324.490 2.797 0 40 DFAB Cc1ccc(OCCNC(=O)/C=C/c2c(C)nn(C)c2C)cc1 31357189 FPCQKQGTXQKWRF-MDZDMXLPSA-N 313.401 2.554 0 40 DFAB COc1cccc(C(N)=O)c1OCc1cccc(OC(F)F)c1 50957013 AHIIVCQQKSQMHE-UHFFFAOYSA-N 323.295 2.975 0 40 DFAB O=C(O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 20483765 SITGGWISEFDAKJ-UHFFFAOYSA-N 302.311 2.507 0 40 DFAB in-vitro Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1 40508997 VVQBAPLAUKMGJO-ZYHUDNBSSA-N 313.829 2.798 0 40 DFAB Cc1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)o1 40542459 RZJXWLYWNQXHIS-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB COc1ccc(NC(=O)COc2ccccc2C=O)c(OC)c1 4201633 DZGXQYWBXBQADC-UHFFFAOYSA-N 315.325 2.534 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2C2CC2)c1C 11721401 WBCLQDXQPODDSH-UHFFFAOYSA-N 318.402 2.736 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cccs2)n1 32744614 AKGMHJVFNXEEJA-SECBINFHSA-N 323.443 2.516 0 40 DFAB C[C@@H]([C@@H](C)NCc1nc(Cc2ccccc2)no1)n1cccn1 69777822 NGGYONIAXBWXQX-KGLIPLIRSA-N 311.389 2.596 0 40 DFAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 11904251 JLDKWXUGQFDHNP-UHFFFAOYSA-N 317.370 2.736 0 40 DFAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 565358 NWTSMDVBWKXIBO-QGZVFWFLSA-N 315.394 2.964 0 40 DFAB CC(C)(C)N(CCCS(C)(=O)=O)Cc1cccc(F)c1 89643056 XNTSNCNRELNBRO-UHFFFAOYSA-N 301.427 2.861 0 40 DFAB Cc1ccc(CN2CCC3(CC2)CC(NC(=O)N(C)C)C3)o1 108535207 HLLHOMQZTRNTHT-UHFFFAOYSA-N 305.422 2.604 0 40 DFAB COc1ccccc1CNC(=O)c1cccnc1N1CCCC1 23701136 GJEWCGKCQLWUNI-UHFFFAOYSA-N 311.385 2.620 0 40 DFAB COc1cccc(CCC(=O)NCCc2ccco2)c1OC 24069042 SPTZNLXQPANGHM-UHFFFAOYSA-N 303.358 2.588 0 40 DFAB CSc1ccccc1NC(=O)CCNC(=O)c1ccco1 24928713 NUMCGMZJRMMBDX-UHFFFAOYSA-N 304.371 2.760 0 40 DFAB Cc1c([C@@H](C)NC(=O)CCc2ccc(F)c(F)c2)cnn1C 25004799 NJRNIAGZMHNNMW-SNVBAGLBSA-N 307.344 2.817 0 40 DFAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccc(F)cc1 12569014 QTJQJDJAECKSEN-SECBINFHSA-N 320.295 2.731 0 40 DFAB CCc1cc2c3c(c1)[C@]1(NCCO1)C(=O)N3C(C)(C)C[C@@H]2C 22238442 QCAYOGHBCBLICE-BBATYDOGSA-N 300.402 2.654 0 40 DFAB O=C(Nc1cnn(CC(F)F)c1)N1CCC[C@@H]1c1ccncc1 174851196 BPGFUQDPUAIRHE-CYBMUJFWSA-N 321.331 2.912 0 40 DFAB Cn1c(=O)n(Cc2ccc(-n3cccn3)cc2)c2ccccc21 21658270 CXUWMIBKDUHASG-UHFFFAOYSA-N 304.353 2.574 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1ccccc1F 1932676 YWWBCFWFZYKZFE-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C(O)c1ccccc1OCCN1CCc2sccc2C1 35732002 VWNSGOCPUYOUDU-UHFFFAOYSA-N 303.383 2.883 0 40 DFAB COc1ccc(Cl)cc1CNc1cncc(-n2cccn2)n1 58158033 ZKZUHEFIVSZLRC-UHFFFAOYSA-N 315.764 2.936 0 40 DFAB O=C(c1ccsc1)N1CCC[C@@H](c2nnc3ccccn23)C1 44894102 WMIMEUQFHNGVLV-GFCCVEGCSA-N 312.398 2.811 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H]1CCCN(C(C)C)C1 58210664 PXEXCHFTQZCUFF-AWEZNQCLSA-N 305.422 2.937 0 40 DFAB CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 48081026 MKENIMAUHFYXNY-CQSZACIVSA-N 318.421 2.572 0 40 DFAB c1ccc(Cc2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)cc1 44975599 DNBUPWFBXSUZBB-HOTGVXAUSA-N 313.401 2.804 0 40 DFAB Cc1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)n2)on1 44975817 ISJUXKCMDUVXIU-INIZCTEOSA-N 309.373 2.901 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[C@@H](C)c1ccccc1 58331904 ABNMQPASWZUIMP-ZIAGYGMSSA-N 314.385 2.708 0 40 DFAB COCc1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58343561 OZCBJMOAKTVLDF-DLBZAZTESA-N 312.369 2.613 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(Cl)c1 28048299 PWNDKUYLSNUNBI-CQSZACIVSA-N 303.745 2.766 0 40 DFAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 45243530 MUUSOLBIENUXOJ-DGCLKSJQSA-N 308.809 2.728 0 40 DFAB O=C(NCCCc1ccccc1)c1cc(=O)[nH]c2ccccc12 12824090 FPXVUXXVYWJNQW-UHFFFAOYSA-N 306.365 2.891 0 40 DFAB CCCN(Cc1ccc(C)cc1)C(=O)c1nc2nccc(C)n2n1 12859454 HMPDYYKWOSAYJI-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB CCOc1ccc(-c2nc(C)c(C(=O)NC)s2)cc1OC 7844538 CYWQLDGWVHUARO-UHFFFAOYSA-N 306.387 2.885 0 40 DFAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1nccc[n+]1[O-] 64356359 SBWBKTFKSRMDOS-UHFFFAOYSA-N 320.348 2.668 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)cc1 5029132 FRQMOAXZCPMQNE-XNJGSVPQSA-N 316.401 2.978 0 40 DFAB COc1ccc(-c2nc(CNC(=O)C3CCCCC3)no2)cc1 64814830 SEOFNLUZBGGKMV-UHFFFAOYSA-N 315.373 2.942 0 40 DFAB CCn1ccnc1SCC(=O)Nc1cc(OC)cc(OC)c1 14085260 DKTNZRXDASQLHT-UHFFFAOYSA-N 321.402 2.651 0 40 DFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)nc2)cc1 8514568 JIVDTVXXADVKSS-NSHDSACASA-N 315.325 2.527 0 40 DFAB CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 81612444 OVYDVLMHFBSZBM-CYBMUJFWSA-N 304.390 2.902 0 40 DFAB Cc1nnsc1-c1nn2c(Cc3ccccc3)nnc2s1 4667812 NYSJPKWNMNGEDV-UHFFFAOYSA-N 314.399 2.604 0 40 DFAB C[C@@H]([C@@H](C)NCc1csc(-c2ncccn2)n1)n1cccn1 69655972 VBFGFFQUWXBRMX-NEPJUHHUSA-N 314.418 2.536 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)c1C 6786632 URFIAMHPDNCSPK-CQSZACIVSA-N 312.369 2.566 0 40 DFAB c1ccc2sc(CN3CCC[C@@H](Cn4cncn4)C3)nc2c1 69630249 UFRWUMBZTHRYDK-CYBMUJFWSA-N 313.430 2.800 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1F 16966021 AKNFQIIZLWPPOT-UHFFFAOYSA-N 309.366 2.990 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)NCCc1ccc(F)cc1 16970055 IDEDCISPQYSJFY-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB c1ccc2c(c1)CN(Cn1nccc1-c1ccncc1)CCO2 67094444 NFQMNHOVGBQRMU-UHFFFAOYSA-N 306.369 2.797 0 40 DFAB OCCN(Cc1nnc(Cc2ccccc2)o1)C1CCCCC1 89840366 OLBPDADJKBNVJM-UHFFFAOYSA-N 315.417 2.787 0 40 DFAB Cn1cc([C@H]2C[C@H]2C(=O)OCc2coc(-c3ccccc3)n2)cn1 69950160 WDUFQZKUKXWSGK-HZPDHXFCSA-N 323.352 2.922 0 40 DFAB COc1ccc(CC(=O)Nc2cccc([C@H](C)O)c2)cc1OC 8714210 MXRYKHXLCXMTTC-LBPRGKRZSA-N 315.369 2.938 0 40 DFAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cn[nH]n1 89904765 PBDOMMONCAVJEI-SECBINFHSA-N 310.810 2.770 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(F)ccc2C)no1 9498530 YEJBZERBHBDOHZ-SNVBAGLBSA-N 306.293 2.615 0 40 DFAB CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1OCC 26319677 ABCFFPCLCXGYLI-UHFFFAOYSA-N 315.435 2.808 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CC[C@]2(CCOC2)C1 96461964 ORQPJORRQFYDTP-ZLENFMNRSA-N 322.355 2.643 0 40 DFAB COc1cc(CNC(=O)[C@H]2SCCc3ccccc32)ccn1 96430517 NXPGJUIRXIXYAE-INIZCTEOSA-N 314.410 2.737 0 40 DFAB CCn1nc(C)cc1C(=O)NC(C)(C)Cc1ccccc1OC 71847679 ACYJHHMPMGVZDP-UHFFFAOYSA-N 315.417 2.971 0 40 DFAB Cc1cc(C)n(C2CN(Cc3nccn3Cc3ccccc3)C2)n1 71880621 GWWKBQQSQAMETH-UHFFFAOYSA-N 321.428 2.802 0 40 DFAB CCOC(=O)c1ccc(N2CCN(CC3CCCC3)CC2)nc1 72282584 JARFBXREPWXWJB-UHFFFAOYSA-N 317.433 2.571 0 40 DFAB CN1CCN([C@H]2CCCCN(Cc3ccc(F)cc3F)C2)CC1 97048484 SCICXWHRRPXDCF-KRWDZBQOSA-N 323.431 2.567 0 40 DFAB Cn1cc(CNc2ccc3c(c2)OCC(=O)N3)c(C(C)(C)C)n1 97113784 MZXPNWOSFMYLQT-UHFFFAOYSA-N 314.389 2.661 0 40 DFAB CC1(CNC(=O)c2ccc[nH]2)CCN(C(=O)OC(C)(C)C)CC1 97107310 KGCJTPQBWNRKNZ-UHFFFAOYSA-N 321.421 2.782 0 40 DFAB Cn1cc(CCCOc2nc(Cc3ccc(F)cc3)no2)cn1 84318361 ANRUGVAOAVDGIH-UHFFFAOYSA-N 316.336 2.545 0 40 DFAB COc1ccc(Br)c(CN[C@H]2CCCOC2)c1 87788291 KPCFFWLSOVAUEQ-NSHDSACASA-N 300.196 2.726 0 40 DFAB COc1c(C(=O)N[C@H](C)Cc2ccccc2Cl)c(C)nn1C 95395640 URZDDYNRWJFLEH-SNVBAGLBSA-N 321.808 2.752 0 40 DFAB CCN(CC(=O)N(C)C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 84761283 RKTKADCDXJSLOD-UHFFFAOYSA-N 323.396 2.871 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2cc(F)cc(F)c2)c1 67198023 ZEKWGPKSIMGHMK-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)/C=C/c1ccc(Cl)s1 95445664 VLCLNEAZDZWVCJ-WUQHTFKHSA-N 305.852 2.643 0 40 DFAB CO[C@@H](C)CCOC(=O)C1(c2ccc(F)cc2)CCOCC1 78949246 FGAILJMIXJLFEL-ZDUSSCGKSA-N 310.365 2.842 0 40 DFAB C[C@@H](C(=O)NCC(=O)Nc1cccnc1)c1cc2ccccc2o1 79013178 VBZFAWJEWAKFNX-GFCCVEGCSA-N 323.352 2.686 0 40 DFAB C[C@@H](NC(=O)N[C@]1(C)CCOC1)c1cc(F)c(F)c(F)c1 95975362 NTHSMGRGTMEWQY-XLKFXECMSA-N 302.296 2.643 0 40 DFAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccn2ccnc2c1 95976896 MVYNAKOBMFRDDO-ZDUSSCGKSA-N 309.369 2.743 0 40 DFAB CCCCCS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 95939982 YQYCDTNCNLXESN-UHFFFAOYSA-N 316.492 2.974 0 40 DFAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)Cc2cnccn2)c1 74769720 SCWGRWAUMHJVEG-OAHLLOKOSA-N 312.417 2.866 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCC(C)(C)N(C)C)C1 89274881 VEHWCEFWAZZOTJ-QWHCGFSZSA-N 301.500 2.642 0 40 DFAB CN(CCCn1ccnc1)C(=O)N[C@H]1CCc2c(F)cccc21 89346127 JZZKFLJFJGJCNQ-INIZCTEOSA-N 316.380 2.741 0 40 DFAB COc1ccsc1C(=O)NCCOc1ncccc1Cl 89484110 WQMLUKQGTOKZOQ-UHFFFAOYSA-N 312.778 2.614 0 40 DFAB CCCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 409241253 JULQSKWCYSGFIX-IZZDOVSWSA-N 324.764 2.660 0 40 DFAB N=C(N)c1ccc2cc(OC(=O)c3ccc(CN)cc3)ccc2c1 33885183 IMDUILMFDFEWHH-UHFFFAOYSA-N 319.364 2.802 0 40 DFAB CN1CCC[C@@H](c2nnc3sc(Cc4ccccc4)nn23)C1 1501040562 YERZLLPOPVXLFU-CYBMUJFWSA-N 313.430 2.586 0 40 DFAB O=C(NCC1CCC1)N1CCN(c2cccc(Cl)c2)CC1 31130726 OTMIIDBJYKLVLP-UHFFFAOYSA-N 307.825 2.972 0 40 DFAB CCn1nccc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 152439450 AHSJSBAUQWOLAX-UHFFFAOYSA-N 300.387 2.747 0 40 DFAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)c1nnnn1C 188969101 CIVPSRUHINBVKV-ZETCQYMHSA-N 308.798 2.604 0 40 DFAB CN(C)c1cccc([C@H]2CCCN2CCCN2CCOC2=O)c1 75838690 NODRSQNKFREKLV-QGZVFWFLSA-N 317.433 2.732 0 40 DFAB CC1(C)CCC[C@@H]1NC(=O)NCc1cccc(-c2nc[nH]n2)c1 78328346 HGFXTXYCJGRMKB-AWEZNQCLSA-N 313.405 2.850 0 40 DFAB COC[C@@H](O)CSc1nnc(-c2ccc(Cl)s2)o1 181155054 OEZGPCYQPJGUOZ-ZCFIWIBFSA-N 306.796 2.551 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCSCC[C@@H]1C 189292891 ALMAQCGIVSLHJZ-NEPJUHHUSA-N 324.494 2.505 0 40 DFAB CCCCNC(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 41123239 JFYIVLMFOATNCQ-ZDUSSCGKSA-N 308.426 2.957 0 40 DFAB Cc1c(CNC(=O)NCCn2ccnc2)oc2ccc(F)cc12 194279748 OMZFIINDUVDAPA-UHFFFAOYSA-N 316.336 2.576 0 40 DFAB CN(Cc1nc(-c2ccc3c(c2)CCO3)no1)[C@H]1CCSC1 195574686 KPTSIUJVBSEROZ-ZDUSSCGKSA-N 317.414 2.609 0 40 DFAB CCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1 47523103 AUCYIGNUMHLYMP-UHFFFAOYSA-N 324.428 2.648 0 40 DFAB COc1cc(C[C@@H]2C(=O)Nc3ccccc32)cc(OC)c1OC 40310286 ZSPANAZOUDYVJN-ZDUSSCGKSA-N 313.353 2.991 0 40 DFAB biogenic C[C@H](CN1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1 195573013 AWCBWNKABFQCRC-CXAGYDPISA-N 303.381 2.736 0 40 DFAB C[C@@H](C(=O)Nc1cccc(C(=O)c2nccn2C)c1)n1cccc1 575443325 SNSAWRWVCIHHCM-ZDUSSCGKSA-N 322.368 2.652 0 40 DFAB COc1cc2c(cc1OC)CN(c1ncc(Cl)cn1)CC2 267078612 JUMRYEMQUQYWRI-UHFFFAOYSA-N 305.765 2.710 0 40 DFAB N[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(F)(F)F)C1 95619031 YDSTZCLONHXDOY-VXGBXAGGSA-N 302.296 2.677 0 40 DFAB CCc1ccc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)o1 96184878 UMAKWFHZYFYBOE-KGLIPLIRSA-N 304.419 2.547 0 40 DFAB Cc1cc(F)c(C(=O)N2CCC[C@H]2c2ccc(O)nn2)cc1F 530074310 BKMAIOHQIFTKSC-AWEZNQCLSA-N 319.311 2.746 0 40 DFAB CCNc1ccnc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 91364432 AJKXOFOYMMQYGU-LBPRGKRZSA-N 322.409 2.687 0 40 DFAB Cn1cccc1C(=O)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238974271 ZRLIWYDVRHUXLD-AWEZNQCLSA-N 322.368 2.705 0 40 DFAB CO[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]2CCO[C@H]12 96220272 XXHHSSNUIUFIMN-ZOBUZTSGSA-N 323.820 2.677 0 40 DFAB O=C(NC[C@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1 96421991 OZXFCBBHJVMUBQ-OAHLLOKOSA-N 300.362 2.563 0 40 DFAB c1ccc(CO[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96107813 UYKDHLWJTBOYFC-MSOLQXFVSA-N 314.385 2.625 0 40 DFAB Cc1nc2ccccc2nc1SC[C@@H](C)CS(C)(=O)=O 96465927 PGRSBXYHEDZEMI-SNVBAGLBSA-N 310.444 2.711 0 40 DFAB Cc1nnc(N2CCC3(CC2)CO[C@H](COCC2CC2)C3)s1 96218091 TYNBABDDMHBKJY-AWEZNQCLSA-N 323.462 2.649 0 40 DFAB CC[C@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 248113656 OOUYYIDHJBSBGI-HOCLYGCPSA-N 300.402 2.891 0 40 DFAB CC(C)[C@H](C)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 253394296 CMDIJGFDDUNIFJ-GOEBONIOSA-N 303.450 2.840 0 40 DFAB CN1CCC[C@@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257305626 SQVBOYVUSWFEKI-ZDUSSCGKSA-N 311.385 2.726 0 40 DFAB Cc1ncc2cncc([C@H]3CCCN(Cc4cccnc4)C3)n12 257214397 CLVKCFVEZZWTSO-INIZCTEOSA-N 307.401 2.812 0 40 DFAB Cc1c(CNC(=O)N(C)CCO)sc2ccc(Cl)cc12 252490190 KLMUCUWVSMMXRC-UHFFFAOYSA-N 312.822 2.997 0 40 DFAB CO[C@H]1CCN(Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F 585273691 DAMABAKSGMRACC-ZBFHGGJFSA-N 303.381 2.628 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)C[C@@H](C)O1 47705767 VOTWHZFOKCJQEN-TXEJJXNPSA-N 305.422 2.765 0 40 DFAB COc1cccc(COC(=O)Cc2cccnc2)c1OC(F)F 71909660 KMJOAFDULMQWDH-UHFFFAOYSA-N 323.295 2.978 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)CS(C)(=O)=O 95985001 ADDSWGBCJXKVRE-VHSXEESVSA-N 324.273 2.947 0 40 DFAB COCCCNC(=O)Nc1ccc(Br)c(F)c1 96435432 RQISRENCHYVQFQ-UHFFFAOYSA-N 305.147 2.746 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2cccc(C)c2C)c1 5184227 CFVKVYDFUDJCRA-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB O=C(Nc1ccccc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5194833 NSALFKPMSBACKI-AWEZNQCLSA-N 313.332 2.753 0 40 DFAB CCC[C@@H](C)NC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 12793062 QNZGVDSGUIQWMZ-CYBMUJFWSA-N 316.401 2.676 0 40 DFAB Cn1c(C(=O)NCCc2cnccn2)cc2cc(Cl)ccc21 19289777 RMDCRWFIRGWMNU-UHFFFAOYSA-N 314.776 2.594 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 4996544 IKKJQIKBVARFRQ-DZKIICNBSA-N 300.402 2.605 0 40 DFAB COc1cccc(COCC(=O)NCCc2ccccc2F)c1 36396574 PMFKQCRCYWFQIB-UHFFFAOYSA-N 317.360 2.710 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2cc(C)ccc2O)c1 5679780 AJDJJNZHHAZGMA-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB CC(C)n1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889103128 YCWBJCQQFYSPOE-CYBMUJFWSA-N 316.430 2.664 0 40 DFAB CC(C)N1C(=O)C[C@H]2[C@H](CNC(=O)C3CCCC3)[C@@H](C)C[C@H]21 1775963939 KSPFADIEFHNVPT-ARLBYUKCSA-N 306.450 2.574 0 40 DFAB biogenic,in-vitro Cc1nc(CN2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3C)cs1 2037849724 AEYUEKRYDLKRDW-HOCLYGCPSA-N 307.463 2.817 0 40 DFAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2nsnc12 215229 VXCMBSDQOBENTP-VHSXEESVSA-N 311.432 2.548 0 40 DFAB Cc1ccccc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 8988028 MBEHZHNGEFHTEZ-KRWDZBQOSA-N 322.408 2.774 0 40 DFAB COc1cccc(NC(=O)COc2nc(C)nc3ccccc23)c1 21361096 TYKOMKIXDKJWHO-UHFFFAOYSA-N 323.352 2.964 0 40 DFAB Fc1cccnc1N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 2086866203 RKPPPOCRWZULIT-CHWSQXEVSA-N 324.359 2.935 0 40 DFAB O=C(NC[C@]1(O)CCOc2ccccc21)c1ccccc1Cl 75158093 HPKHKFKOHQKNHC-QGZVFWFLSA-N 317.772 2.740 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)Cc2ccc(F)cc2)cc1 96103044 JYUGGDMHXYUVJQ-MRXNPFEDSA-N 319.401 2.940 0 40 DFAB CCCC1=NN(C(=O)c2ccc(O)cc2)[C@@](O)(C(F)(F)F)C1 274692 HEASSCNKWCAKNS-ZDUSSCGKSA-N 316.279 2.645 0 40 DFAB Cc1ccc(CSc2nnc(-c3ccncc3)n2N)cc1C 533418 OENHKRFUCUTBOJ-UHFFFAOYSA-N 311.414 2.963 0 40 DFAB Cc1noc(C)c1C(=O)NCc1ccnc(OC2CCCC2)c1 40515300 ARMMQWXRZODFRM-UHFFFAOYSA-N 315.373 2.938 0 40 DFAB CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1343227 SIDYWMZCGABLMH-HNNXBMFYSA-N 321.396 2.984 0 40 DFAB C[C@@H](OCc1ccccc1)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 6468920 FYZBABHQLFFCHH-OCCSQVGLSA-N 323.389 2.960 0 40 DFAB CN1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21 6996855 PDQHJJMVPACXLF-QGZVFWFLSA-N 310.378 2.596 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1C 8265124 ADIFNWRCIUIMQT-MRXNPFEDSA-N 314.429 2.915 0 40 DFAB CN1C(=O)c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)cc2C1=O 103038102 JIHHFFNEROBKCH-IJLUTSLNSA-N 312.369 2.677 0 40 DFAB NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 509534 NNRCADMFWHJEEJ-MWLCHTKSSA-N 310.279 2.642 0 40 DFAB O=C(C1CCN(c2ncnc3ccccc23)CC1)N1CCCCC1 41503490 AMKDHIHWUHKIKW-UHFFFAOYSA-N 324.428 2.859 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(C(N)=O)cc2)o1 53175251 GTRMUKYURCJNSF-GGMIUFRYSA-N 324.380 2.832 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N)cc2F)CC1 41701550 SKNCMVAICXALKM-UHFFFAOYSA-N 313.348 2.604 0 40 DFAB Cc1nc([C@H](C)NC2CCN(C(=O)C3CC3)CC2)c(C)s1 37142734 GRCNWZQWKLORJM-JTQLQIEISA-N 307.463 2.812 0 40 DFAB Cc1cc(OCn2ccc(C(=O)NC3CC3)n2)ccc1Cl 28575514 FXKDJGYUHFAWAW-UHFFFAOYSA-N 305.765 2.774 0 40 DFAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1 904343 KBSZJUKCZXYIAB-UHFFFAOYSA-N 318.446 2.972 0 40 DFAB COc1ccc(-c2csc(N3C(=N)SCC3=O)n2)cc1 986086 VRESTROMRYKCCC-UHFFFAOYSA-N 305.384 2.833 0 40 DFAB aggregator O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccc(F)cc1 101276619 BTLGNALHNARVRN-AWEZNQCLSA-N 302.280 2.709 0 40 DFAB CC(=O)CC(C)(C)NC(=O)CCN[C@H](C)c1ccc(F)cc1 57460972 ABQCSAFWFCITRA-CYBMUJFWSA-N 308.397 2.740 0 40 DFAB O=C(Nc1ccccc1Cl)N1CC[C@@H](CN2CCOCC2)C1 75497926 FVASBLFZIWZGPJ-ZDUSSCGKSA-N 323.824 2.526 0 40 DFAB CCOc1ccc(OCCN2C(=O)NC(CC)(CC)C2=O)cc1 23656634 QKYDUMRZUZINAD-UHFFFAOYSA-N 320.389 2.575 0 40 DFAB Cn1cc(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1 42716652 WHTFOTFJQWGPQK-UHFFFAOYSA-N 321.808 2.590 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CCCc2[nH]c(=O)ccc21 43056157 ZHJCPBXFLNQITL-GOSISDBHSA-N 322.408 2.600 0 40 DFAB O=C(NCc1ccccn1)c1nc(-c2ccc3cc[nH]c3c2)no1 12322771 FYRHURDKQAIRNN-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB Fc1cccc(F)c1CN[C@H]1CCCN(c2cccnn2)C1 105905319 VKLYPVAJJAHUQC-LBPRGKRZSA-N 304.344 2.513 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(F)ccc21 55656850 JYLAYUJDIVJCFD-QMTHXVAHSA-N 322.380 2.842 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NCCCOC1CCOCC1 76022085 ADTWFEFFLWLESS-UHFFFAOYSA-N 311.809 2.584 0 40 DFAB Cc1cccc(C(=O)NC2CCN(Cc3cscn3)CC2)c1 76896511 JUKIDXRJUUGYTQ-UHFFFAOYSA-N 315.442 2.846 0 40 DFAB CCOc1cc(C)c(S(=O)(=O)Oc2ccccn2)cc1C 35170636 IAZCTENTVCHLLP-UHFFFAOYSA-N 307.371 2.865 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2ccccc2n1 25984586 DCGRPGAHDJUWGT-CQSZACIVSA-N 320.348 2.805 0 40 DFAB Cc1cc(C)cc(OCCNC(=O)N(C)Cc2cc(C)on2)c1 56820913 KXLWRKRQWFLNJJ-UHFFFAOYSA-N 317.389 2.820 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cn1 57174833 PMTHQLXJGNKRQS-IBGZPJMESA-N 323.440 2.918 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)c2ccc3[nH]cnc3c2)c1C 57557905 GJLJTQTYJHHGJI-UHFFFAOYSA-N 324.384 2.856 0 40 DFAB c1csc(N2CCC(N[C@@H]3CCC[C@H]4OCC[C@@H]34)CC2)n1 108465556 IWFHTYSIJNBEBC-RRFJBIMHSA-N 307.463 2.659 0 40 DFAB CC(C)OCCCNC(=O)CCc1nc(-c2cccs2)no1 44873301 SIEVIVLPEOGQOH-UHFFFAOYSA-N 323.418 2.662 0 40 DFAB CCN(CC)c1ccc(C(=O)NCCCn2ccnc2C)cc1 58299111 CTXZNRWSZWYEPZ-UHFFFAOYSA-N 314.433 2.858 0 40 DFAB C[C@H](NC(=O)CNC(=O)OCc1ccccc1)c1cccs1 58289924 WETBWCYODAHIMM-LBPRGKRZSA-N 318.398 2.852 0 40 DFAB O=C(/C=C/c1ccco1)NCc1cccnc1N1CCCCC1 58296823 MJZSRZMBIAHERG-CMDGGOBGSA-N 311.385 2.995 0 40 DFAB C[C@H](NC(=O)Cc1csc(-c2ccco2)n1)[C@@H]1CCCO1 27896923 SXXFWBSKUNICBR-JQWIXIFHSA-N 306.387 2.629 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1ccccc1 28172362 LUAZUCWHIOZFST-INIZCTEOSA-N 312.417 2.813 0 40 DFAB C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CCO1 10669694 IGMYMPSHVLPVES-VIFPVBQESA-N 323.190 2.791 0 40 DFAB CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 61997323 HSDZFUXEPMRFQO-LBPRGKRZSA-N 310.394 2.712 0 40 DFAB CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 10862006 FWCIZZCWPIUUFN-LBPRGKRZSA-N 318.354 2.582 0 40 DFAB COC(=O)c1c(-c2ccc(F)c(F)c2)cn2c1SCC2=O 3358687 QUUFNNGUZVFPEF-UHFFFAOYSA-N 309.293 2.966 0 40 DFAB Cc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)nc1 48226508 XVLKPYZJRKGZRP-UHFFFAOYSA-N 317.780 2.686 0 40 DFAB Cc1cc(O)c2c(C)c(CC(=O)NCCC(C)C)c(=O)oc2c1 8491011 KSJVKHYHKHWQRM-UHFFFAOYSA-N 317.385 2.820 0 40 DFAB biogenic COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OC(F)F 409346384 LIJGMAPYMQNTTR-POHAHGRESA-N 315.297 2.963 0 40 DFAB Cc1ccc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)c1 13135730 MVHNIZAIIADEGH-UHFFFAOYSA-N 309.413 2.703 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CCC(=O)c1ccc(F)cc1F 63837687 NPLHORJIKOBADV-UHFFFAOYSA-N 307.300 2.906 0 40 DFAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCO2 49547510 CSGILMUNFNNQOX-CYBMUJFWSA-N 303.343 2.573 0 40 DFAB O=C(CNC(=O)Nc1cccnc1)Nc1cccc2ccccc12 69461484 XRSKGUULDFOVJY-UHFFFAOYSA-N 320.352 2.995 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C)c(C)s2)cc1OC 6255018 WQRBIQZUGSDJPL-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB CC(C)[C@H](C)NC(=O)N1CCC(c2nnc3ccccn23)CC1 65393101 ZCEJYIVESMGJSN-ZDUSSCGKSA-N 315.421 2.663 0 40 DFAB CC(=O)N(C)[C@@H](c1ccccc1)c1nnnn1-c1ccc(C)cc1 5242954 BOIKYYQGFZFEKH-KRWDZBQOSA-N 321.384 2.538 0 40 DFAB CCCN1CCC(CNC(=O)c2ccccc2COC)CC1 65611741 PJSQYQSDFKUCOV-UHFFFAOYSA-N 304.434 2.685 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@@H](C)c2ccccn2)cc1 69744604 IXEIJIKMCIXWLN-YKWSONSWSA-N 310.353 2.759 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)CCCOc1ccccc1Cl 69816830 LRIWLWZCIQCICM-LLVKDONJSA-N 313.781 2.567 0 40 DFAB O=C(CN1CCc2ccccc2C1)Nc1cc(F)ccc1F 6879741 FHOJXOFBPTUCEX-UHFFFAOYSA-N 302.324 2.962 0 40 DFAB CC(=O)N1CCC(CCC(=O)Nc2cccc3[nH]cnc23)CC1 80369343 HCLHJRPKQZPLCH-UHFFFAOYSA-N 314.389 2.540 0 40 DFAB COCc1nn2c(nnc3c(O)cccc32)c1-c1ccccc1 9047522 OULBSZIEZJSVDJ-UHFFFAOYSA-N 306.325 2.797 0 40 DFAB O=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCC2 9114225 QFPQPOLTZOJGAW-UHFFFAOYSA-N 318.380 2.686 0 40 DFAB Cc1cc([C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C(C)C)c(C)s1 71903622 ZCIHQAXXFFCSSD-AAEUAGOBSA-N 317.476 2.611 0 40 DFAB CCOc1ccc(-c2nnc(NCc3cnn(C)c3C)o2)cc1 96001628 LEDMNNRQTSZZFV-UHFFFAOYSA-N 313.361 2.789 0 40 DFAB O=C(/C=C/c1c(F)cccc1F)NCCCCn1ccnc1 71904011 HWOWBTASWJJWMC-VOTSOKGWSA-N 305.328 2.771 0 40 DFAB CCC(CC)NC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9364107 SEYWJXMOQOTXIO-HNNXBMFYSA-N 301.390 2.526 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC 9339080 MTPWRHAOAUIPSM-LLVKDONJSA-N 321.421 2.639 0 40 DFAB c1ccc2c(CN3CCN(Cc4ccncc4)CC3)c[nH]c2c1 19889667 FUBQNMZCMUFGSG-UHFFFAOYSA-N 306.413 2.881 0 40 DFAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(C)C)n1 9683812 XJSCUYZLAVDYKI-UHFFFAOYSA-N 317.414 2.933 0 40 DFAB C[C@@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 71841927 VAAXHSDOZHYNBX-GFCCVEGCSA-N 322.840 2.992 0 40 DFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccs1 9709746 VKUWERRAFUZSLY-UHFFFAOYSA-N 311.370 2.989 0 40 DFAB CS[C@H](C)CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 97032116 IBFBUPLPTGUQEQ-HQJQHLMTSA-N 308.230 2.895 0 40 DFAB Cc1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)cc(=O)[nH]1 97083138 JZTRLYUXAUJVOT-LBPRGKRZSA-N 312.247 2.539 0 40 DFAB CO[C@@H](C(=O)N(C)[C@H]1CCCc2c1cnn2C)c1ccccc1 97060458 IINCGRFPABPJRF-DOTOQJQBSA-N 313.401 2.644 0 40 DFAB COc1ccc([C@H](C)NCC[C@@H](C)O)c(Br)c1 97034540 OUSZWJBLDVHEDJ-ZJUUUORDSA-N 302.212 2.879 0 40 DFAB N[C@@H](C(=O)N1CCc2c(F)cc(F)cc2C1)c1ccccc1 97234217 YCWVSKYBFYIKOH-MRXNPFEDSA-N 302.324 2.550 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1C[C@H]1c1c(F)cccc1F 84339103 XCIZTNCLNGLCLT-MCYUEQNJSA-N 309.356 2.736 0 40 DFAB CCN1CCN([C@@H](C)CNc2ncccc2C(F)(F)F)CC1 84789267 YIQCZXHLMFCIFA-LBPRGKRZSA-N 316.371 2.538 0 40 DFAB COc1ccccc1CC(C)(C)C(=O)N1CCC(C(=O)O)CC1 95424060 JRQCNUGPZDHJCW-UHFFFAOYSA-N 319.401 2.587 0 40 DFAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc(Cn2cncn2)o1 75105227 AUNAMZKNOQJSLT-ZDUSSCGKSA-N 313.386 2.879 0 40 DFAB O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCCCC1 32794970 YBIDQFYLNLAGFZ-LBPRGKRZSA-N 306.793 2.705 0 40 DFAB CCn1nc(-c2nnc([C@H]3CC3(C)C)o2)c2ccccc2c1=O 521393846 VAKYAUXEQZUBGW-GFCCVEGCSA-N 310.357 2.980 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](Cc2nccs2)C1 72385680 LIYWBPRJCYXCFC-LBPRGKRZSA-N 305.403 2.843 0 40 DFAB CCC1CCC(NC(=O)C(=O)NCc2ccc(F)cc2)CC1 78701427 DKRBCGAIFFIIKM-UHFFFAOYSA-N 306.381 2.527 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1 72414415 NMCCXRTVCWELFU-UHFFFAOYSA-N 314.410 2.755 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(OC)cc2)cc1 72228060 CTRQSKPGYWJLJE-IAGOWNOFSA-N 312.369 2.509 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1cc(F)ccc1F 130216385 FIAPAHSWKUELNC-CYBMUJFWSA-N 317.339 2.759 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)NCCc2ccccn2)c1 43388499 FHJSSOSBCTUOTP-UHFFFAOYSA-N 313.357 2.541 0 40 DFAB O=C(C1CCCCC1)N1CCC[C@H](C(=O)N2CCCCC2)C1 41058390 ZTJQEEGFFOHADE-INIZCTEOSA-N 306.450 2.818 0 40 DFAB O=C(Cc1cccs1)NC[C@]1(O)CCCc2ccccc21 96427027 OZLHLVFKFMLUTB-QGZVFWFLSA-N 301.411 2.631 0 40 DFAB COCCN1CCN(Cc2ccsc2)Cc2cccnc21 96198846 WXMKWYVYKGIQSI-UHFFFAOYSA-N 303.431 2.612 0 40 DFAB CC[C@](Br)(C(=O)c1ccccc1C)S(C)(=O)=O 96518687 WEGXQLYUORXUAH-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB C[C@H](NC(=O)C(F)(F)c1ccccn1)c1nc2ccccc2[nH]1 95449357 OXISYSMOCRHFMH-JTQLQIEISA-N 316.311 2.927 0 40 DFAB Cc1cccc(COC[C@H]2C[C@H]3OCCN(CC4CC4)[C@@H]3C2)n1 96250758 FMASDQQWZQSGBS-BHIYHBOVSA-N 316.445 2.796 0 40 DFAB O=C(N[C@H]1CCCOC1)c1ccc(OCc2ccccn2)cc1 95401873 BNGYPGNGLKNYJX-INIZCTEOSA-N 312.369 2.569 0 40 DFAB Cc1c[nH]c(-c2cnc([C@@H]3CCCN3Cc3cccnc3)cn2)n1 257201924 AJQNPQDHWRTNJV-KRWDZBQOSA-N 320.400 2.907 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@H](c3[nH]ncc3C)C2)cc1 257254123 KBSCTWXKISFJHH-HNNXBMFYSA-N 313.401 2.675 0 40 DFAB O=C(NC1CCOCC1)c1ccc(Cc2ccccc2F)nc1 257284958 PFAZNSKPVMQNPU-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccc4[nH]cnc4c3)CC[C@@]2(C)C1 257335020 YIJGPYDOMKNXGU-QBIMZIAESA-N 313.401 2.983 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 257283585 OYXISWNQJQWQMU-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cc(C)no2)c1OC(C)C 252488989 JDISCHSNLNPVKY-UHFFFAOYSA-N 318.329 2.809 0 40 DFAB Cc1nc(CC(C)C)c(C(=O)NCc2ccc(C(=O)O)o2)s1 262727151 CAONHHLNHURNJR-UHFFFAOYSA-N 322.386 2.871 0 40 DFAB Cc1n[nH]cc1CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 299240705 MDXIJMSRKUISMH-UHFFFAOYSA-N 321.446 2.739 0 40 DFAB CO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccc(C)s1 96104686 HMPBMKWWWWDLLD-CQSZACIVSA-N 319.382 2.903 0 40 DFAB Cn1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1 44894518 MXVNWWVAHOQQNB-UHFFFAOYSA-N 314.320 2.786 0 40 DFAB Cc1ccc2oc(C(=O)NCc3cccc(NC(N)=O)c3)cc2n1 69520068 SUFCETMUHZNFSO-UHFFFAOYSA-N 324.340 2.557 0 40 DFAB Cc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1OCC(F)F 69744977 RVJIGRPJDDGHRV-UHFFFAOYSA-N 322.311 2.590 0 40 DFAB O=C(Cc1cccc(F)c1)NCc1ccc2c(c1)OCCCO2 66549958 WFKYPDPDYOZNIX-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB Cc1ncc(CN2CCOC[C@H]2CC(=O)c2cccs2)s1 97096040 JUUSJNXZHYWSJT-GFCCVEGCSA-N 322.455 2.987 0 40 DFAB O=S(=O)(C[C@H]1CC1(Cl)Cl)C[C@H]1CC1(Cl)Cl 194037 HCHRVSLOUYCOSJ-PHDIDXHHSA-N 312.045 2.789 0 40 DFAB COc1cccc(N2CCN(c3nnc(C(C)C)s3)CC2)c1 301666377 CGQSBVSARQCCOO-UHFFFAOYSA-N 318.446 2.997 0 40 DFAB COCc1cc(C)nc2c1[C@@H]1N=C(CC(C)C)NC(=O)[C@H]1S2 15107184 MMBNGYUCQQBDSU-KBPBESRZSA-N 319.430 2.626 0 40 DFAB CC(C)NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1 19696566 JRKGYYGLEGKCQC-SFHVURJKSA-N 313.401 2.531 0 40 DFAB CCC(CC)N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 19889982 ZHVXWWLIGUJNQU-UHFFFAOYSA-N 322.449 2.716 0 40 DFAB CC[C@@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 152917867 XBGJIPXVRJQWHW-TZMCWYRMSA-N 310.825 2.695 0 40 DFAB O=C(COC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5128583 GTPLUATYWXXMKT-UHFFFAOYSA-N 313.397 2.928 0 40 DFAB Fc1cncnc1N1CCN(c2nsc3ccccc23)CC1 1888900853 VHPLPCHVQRNWEX-UHFFFAOYSA-N 315.377 2.552 0 40 DFAB NC(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 29298651 RFPKOMLVBQIVAJ-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 33803944 OGUOKTPZTQHPPF-ZFWWWQNUSA-N 306.406 2.852 0 40 DFAB CC(=O)Nc1ccc(OC[C@H](O)CSc2ccccn2)cc1 11692576 OZGBUNYWXPFTML-AWEZNQCLSA-N 318.398 2.572 0 40 DFAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(F)C3)c(OC)c1OC 1775968027 JNTXHQSQFBBASN-RYUDHWBXSA-N 323.364 2.818 0 40 DFAB O=C(O)/C=C/C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 526761 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QPJPYNHOXVADQL-UHFFFAOYSA-N 303.333 2.838 0 40 DFAB COCCOC(=O)Nc1cccc(NCc2cc(C)on2)c1 60089612 HDGBEXAGZSIMKZ-UHFFFAOYSA-N 305.334 2.790 0 40 DFAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CC(C)C 8186880 WHJMZLJEELNHAP-NSHDSACASA-N 320.414 2.706 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2ccccc2)cc1 33004277 WIOSHACMOPSBCK-CXAGYDPISA-N 308.381 2.809 0 40 DFAB CN1CC[C@H](Sc2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O 71909278 HAEJCXZKQLGOKN-JTQLQIEISA-N 315.320 2.905 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@H]2c2ccsc2)cn1 46993468 HIGZWEKJUQUFOQ-AWEZNQCLSA-N 304.419 2.571 0 40 DFAB Nc1nc(N2CCOCC2)sc1Cc1ccccc1Cl 103700490 WJBMCJXLOYPTJQ-UHFFFAOYSA-N 309.822 2.806 0 40 DFAB CNC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1 1393474 QSCRQWFSISEAGF-UHFFFAOYSA-N 304.353 2.874 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cnns2)c1 47623711 DHRHYVKNQDMEID-GFCCVEGCSA-N 319.386 2.533 0 40 DFAB Nc1nc(SCc2ncon2)nc2sc3c(c12)CCCC3 12543396 NUPBCZMBZJODGA-UHFFFAOYSA-N 319.415 2.828 0 40 DFAB Cc1cc([C@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n[nH]1 107143095 UAZUWDMLONBGLS-YPMHNXCESA-N 301.394 2.919 0 40 DFAB Cn1cc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c2ccccc21 12596968 LGTSIFJSVSSMMX-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cn1 43637193 ISEBKCWDDGKNPD-NSHDSACASA-N 316.361 2.557 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccncc1)C3 57128752 OUPXKPZPGACTHI-UHFFFAOYSA-N 308.337 2.849 0 40 DFAB O=C(NCc1nnc2n1-c1ccccc1CC2)C1CCCCC1 12527703 ZUESDSIUDMDNIG-UHFFFAOYSA-N 310.401 2.562 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2cccs2)n1 44953252 UESODZZJFOAATH-LBPRGKRZSA-N 305.447 2.947 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)C)cc1 58357969 XNFMZIGDXOBCFL-HNNXBMFYSA-N 304.390 2.671 0 40 DFAB Cc1cccc(NC(=O)Nc2ccc(N3CCOCC3)nc2)c1 10410138 IRACQGXMEDURHL-UHFFFAOYSA-N 312.373 2.871 0 40 DFAB O=C(CN1CCC[C@H]1Cc1ccccc1)NC(C1CC1)C1CC1 28278923 BNVGZAVTFDCRQC-SFHVURJKSA-N 312.457 2.998 0 40 DFAB COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2O1 16750058 OXBDKEFUKGXBIL-FLVLSHQESA-N 323.348 2.667 0 40 DFAB CC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 36354134 BBSUPBFICFRPMP-UHFFFAOYSA-N 320.395 2.780 0 40 DFAB O=C(Cc1cccs1)O[C@H](C(=O)NC1CC1)c1ccccc1 8289851 RJPVNDFCFZUPRF-INIZCTEOSA-N 315.394 2.854 0 40 DFAB CCCNC(=O)CSc1nnc2sc3ccccc3n12 3495607 WDMLJDFSLILHHR-UHFFFAOYSA-N 306.416 2.562 0 40 DFAB O=C(CCNC(=O)c1cccs1)Nc1cc(F)cc(F)c1 12995704 FULWMCGRQDCGPA-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB C[C@@H](N)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 21948420 XSKAVNAYEIVLKN-QAPCUYQASA-N 315.486 2.954 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(O)cc1 3510614 CFMCAUZVIWFVLP-NSHDSACASA-N 315.325 2.585 0 40 DFAB Cc1cn2nc(Sc3nnc(N4CCCC4)s3)sc2n1 48894029 OJIKPRUKWHIJCT-UHFFFAOYSA-N 324.460 2.702 0 40 DFAB Cc1nc(CC(=O)NCCc2c[nH]c3ccc(F)cc23)cs1 13692218 VAMNGPGEBHLCKW-UHFFFAOYSA-N 317.389 2.973 0 40 DFAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc2N1 69452469 OHIMWYOLGBISIA-RHSMWYFYSA-N 321.380 2.871 0 40 DFAB CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(CC)c1C 69491809 JEEMYDXPLXRQFC-JKSUJKDBSA-N 318.465 2.609 0 40 DFAB COc1cc(C=O)c(Br)cc1OCCCC(=O)O 8411917 JBDBPUOZBVKLGN-UHFFFAOYSA-N 317.135 2.514 0 40 DFAB C[C@H](C(=O)N1CCc2ccccc21)n1c(=O)oc2ccccc21 14105946 ZQEGDJVHIIQOSM-GFCCVEGCSA-N 308.337 2.745 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)NCCc2nc(C)no2)c1 69567739 WWQSUNOTBNOLJQ-LBPRGKRZSA-N 302.378 2.598 0 40 DFAB CC[C@@H](C)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 69530931 MRXJWDCIHKYWEL-MRXNPFEDSA-N 316.445 2.726 0 40 DFAB C[C@@H](NC(=O)Cn1cncn1)c1ccc(Oc2ccccc2)cc1 65604763 XCVJHZFOSRHAGO-CQSZACIVSA-N 322.368 2.948 0 40 DFAB c1cnn(C[C@H]2CCCCN2Cc2nc(-c3ccoc3)no2)c1 69632044 HWNSPMLEKLFCBO-CQSZACIVSA-N 313.361 2.581 0 40 DFAB COCCNC(=S)NN(Cc1ccccc1)c1ccccc1 5750798 IGPBBKAAEMKRRC-UHFFFAOYSA-N 315.442 2.719 0 40 DFAB CON(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 25714937 NHPBTCUYNPHXHY-UHFFFAOYSA-N 317.364 2.914 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=S)N1CC(=O)Nc2ccccc21 7560643 VVFIFRKDEOIRKI-VXGBXAGGSA-N 303.431 2.898 0 40 DFAB O=C1CCc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N1 8745208 ZISROSYYKGMMQD-UHFFFAOYSA-N 306.325 2.700 0 40 DFAB Cc1cc(NC(=O)c2ccc(F)cc2Br)n(C)n1 19484785 BPNVTIHOEKINSX-UHFFFAOYSA-N 312.142 2.882 0 40 DFAB CCN1C(=O)COc2ccc(-c3csc(NC(C)=O)n3)cc21 19796468 RTFMBPWDIQKDDC-UHFFFAOYSA-N 317.370 2.514 0 40 DFAB CCOc1ccc(Nc2ncccc2C(=O)OCC(C)=O)cc1 9478828 MFLSXMXMFXEHLQ-UHFFFAOYSA-N 314.341 2.970 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)c2[nH]ncc2c1 71869987 KHKDRQIBGOGQHU-HNNXBMFYSA-N 323.400 2.681 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCCN(c2nccs2)CC1 71836546 FNUAXGBXHMZECH-STQMWFEESA-N 317.414 2.579 0 40 DFAB COc1cccc2cc([C@@H](C)N[C@@H](CO)c3cnn(C)c3)oc12 97034809 OHRUXYDBDISSBK-RISCZKNCSA-N 315.373 2.559 0 40 DFAB Cc1noc(-c2ccccc2)c1C(=O)Nc1c[nH]c(=O)c(C)c1 97108289 WGLDRNYFCPZTEY-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB Cc1ccc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)cc1 97166596 SJTILQPVHWWZHN-UHFFFAOYSA-N 323.458 2.701 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNC1CCSCC1 76042820 VTUYNPZMVLYRCO-CZUORRHYSA-N 309.479 2.600 0 40 DFAB Cn1nc(C2CCC2)cc1NS(=O)(=O)Cc1ccccc1 95447341 LUEJEYUIAZTYGS-UHFFFAOYSA-N 305.403 2.630 0 40 DFAB COc1cccc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 95432248 ATNOHHMTGCSPDR-QGZVFWFLSA-N 318.804 2.839 0 40 DFAB O=c1[nH]cnc2sc(Br)c(Br)c12 98179651 VPUOHESABWTXNI-UHFFFAOYSA-N 309.970 2.510 0 40 DFAB Cc1n[nH]c(C)c1CCOC(=O)c1ccc(N(C)C)cc1F 89246037 KLZPLVYOUZKROE-UHFFFAOYSA-N 305.353 2.631 0 40 DFAB Cc1nn(C[C@@H](C)C(=O)N2CCCC2)c(C)c1Br 28233397 DYNFVUSRBADIRB-SECBINFHSA-N 314.227 2.521 0 40 DFAB CC(C)[C@H](O)CC(=O)Nc1cc(Br)ccc1O 179655196 GWOJLFKXHXPFJF-LLVKDONJSA-N 302.168 2.500 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)NCCc1csc(C)n1 27988685 USWHQTXHOPXEGO-NSHDSACASA-N 320.414 2.586 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccccc2C)C1=O 36636251 NDZIWKZREQLTHQ-WQLSENKSSA-N 320.370 2.507 0 40 DFAB Cc1nc2n(n1)[C@H](c1ccccc1)[C@H](O)C(c1ccccc1)=N2 72332447 CARYQAHUZJELOF-IAGOWNOFSA-N 304.353 2.671 0 40 DFAB Cc1noc(C)c1C(=O)N1CC[C@H](C(=O)O)c2ccccc21 317410455 MNGGFJYCLVGYAK-LBPRGKRZSA-N 300.314 2.510 0 40 DFAB Cc1nn([C@@H]2CCOC2)c2ncc(C(=O)c3ccccc3O)cc12 521396832 BWMQNYPDKFLSGN-CYBMUJFWSA-N 323.352 2.638 0 40 DFAB Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2scnc2C)C1 72388838 SPKDBWLBAOZAFP-HNNXBMFYSA-N 304.419 2.677 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1F 568710115 WZKJOBHBROCATA-UHFFFAOYSA-N 316.332 2.771 0 40 DFAB CC(C)n1ncc2cc(CNC[C@@H]3NCCCC3(C)C)cnc21 572129208 BEFHSTLUZDPGFE-INIZCTEOSA-N 315.465 2.880 0 40 DFAB CC[C@H](C)NC(=O)COc1nn(-c2ccccc2)cc1Cl 227151890 QJRVJCQZNVVZOL-NSHDSACASA-N 307.781 2.819 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 225644840 PTYMULXWEVEHKT-KRWDZBQOSA-N 307.390 2.856 0 40 DFAB CCOC(=O)N1CCC(N[C@@H]2CCO[C@@H]2c2ccccc2)CC1 96494308 ULLAQURMYMVEQO-IAGOWNOFSA-N 318.417 2.727 0 40 DFAB C[C@@H](CNC(=O)Nc1cnn(C)c1)Oc1ccccc1Cl 96433871 WYLZWJWKFKXZHN-JTQLQIEISA-N 308.769 2.663 0 40 DFAB O=C(c1ccoc1)N1CCC2(CN(Cc3ccc(F)cc3)C2)C1 96202713 YCMHVHSTAPLPMV-UHFFFAOYSA-N 314.360 2.767 0 40 DFAB Cc1ccccc1CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 96245576 JHFMAHOTOZMNLG-RTBURBONSA-N 321.424 2.594 0 40 DFAB Cc1cncc(NC(=O)C(=O)NCC2CCC(C)(C)CC2)c1 95442966 JZJJQZTVAUMHKM-UHFFFAOYSA-N 303.406 2.661 0 40 DFAB c1cnc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nc1 96158457 RXJHKYJNFOYOPI-UHFFFAOYSA-N 323.444 2.754 0 40 DFAB Cc1ccccc1NC(=O)CCn1nnc(-c2ccsc2)n1 96480726 DEJLDWMDCYSMOQ-UHFFFAOYSA-N 313.386 2.739 0 40 DFAB CCOC(=O)[C@H]1C(=O)OC[C@H]1c1ccc(Cl)c(Cl)c1 242495344 GCBGUKRFOZBHTH-KWQFWETISA-N 303.141 2.813 0 40 DFAB c1ccc(N2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)nc1 257284755 PEDFMRGOHRZCRD-ZDUSSCGKSA-N 306.373 2.646 0 40 DFAB Cc1nc([C@H]2CCCCN2)ncc1C(=O)NCc1ccccc1 257290160 QBUZEELIZYBRMV-MRXNPFEDSA-N 310.401 2.530 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 252504682 COPNRBGCMYZHMV-BODMPHMZSA-N 310.482 2.804 0 40 DFAB FC(F)(F)c1ccnc(Nc2nccc([C@H]3CCNC3)n2)c1 257331784 XUGIPCGFGLNVBC-VIFPVBQESA-N 309.295 2.711 0 40 DFAB Cc1nc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)cs1 257173743 WAVQLTZHMORFEP-UHFFFAOYSA-N 301.371 2.934 0 40 DFAB COc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C)C1)CCCC2 260764250 KFCDGZXXIZTGJH-ZDUSSCGKSA-N 323.458 2.995 0 40 DFAB CCCCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575402888 DRPVYFFCEKQXFR-GFCCVEGCSA-N 324.421 2.876 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)Cc3ccccc3)C[C@@H]21 585110029 XQLDDHBBLUBDSC-NVXWUHKLSA-N 321.424 2.941 0 40 DFAB COC[C@@H]1CN(C)CC12CCN(Cc1ccc(C)s1)CC2 585103977 VBAFNZYHHBYUOS-HNNXBMFYSA-N 308.491 2.847 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)C2CCCC2)C1 585275075 VVIGDCWANZSRPR-SFHVURJKSA-N 303.402 2.527 0 40 DFAB CSc1nc(C)c(CCC(=O)OC2CCCCCC2)c(=O)[nH]1 54566483 RCDHSWAXYHNVLH-UHFFFAOYSA-N 324.446 2.999 0 40 DFAB O=C(CCc1nc2ccccc2o1)N1CCC[C@H](n2cccn2)C1 65625472 QBAUPTXTQDQLTH-AWEZNQCLSA-N 324.384 2.821 0 40 DFAB CCc1nn(C)c(CC)c1CNc1cnc2c(c1)c(C)nn2C 97054878 ZJQVPCXUYBPQGW-UHFFFAOYSA-N 312.421 2.747 0 40 DFAB O=C(COC[C@H]1CCCN2CCCC[C@H]12)Oc1ccccc1 5684164 DGRPNXSKYKPQDI-NVXWUHKLSA-N 303.402 2.873 0 40 DFAB biogenic,in-vitro COc1cccc(OC)c1OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C 11847323 BQFMWXUYIDVNHD-SOUVJXGZSA-N 323.433 2.706 0 40 DFAB Cc1ccc(CC(=O)N2CCN(c3ccccc3O)CC2)cc1 12544985 JSRUJUKNERPSHO-UHFFFAOYSA-N 310.397 2.592 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 17743880 XULTWLCBKDDTGE-GFCCVEGCSA-N 318.398 2.973 0 40 DFAB Cc1cnc(CCN(C)S(=O)(=O)CCC(C)(C)C)s1 167355941 QFGKAXKRQAWCSD-UHFFFAOYSA-N 304.481 2.692 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 5817236 WOSUXPPHLIEARI-UHFFFAOYSA-N 300.767 2.507 0 40 DFAB Cc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1 1203893507 JGBKABFRGLIJTE-UHFFFAOYSA-N 301.365 2.968 0 40 DFAB CC(C)c1noc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)n1 1888842744 NMGJIOPVOKWOAO-STQMWFEESA-N 301.394 2.758 0 40 DFAB CC(C)c1nc2ccccc2n1C1CN(C(=O)[C@H]2CCCO2)C1 1888857031 QCVBPFYCDCRZJM-MRXNPFEDSA-N 313.401 2.722 0 40 DFAB Cc1ccc(Cl)c2sc(N3CCC(C(N)=O)CC3)nc12 1888903760 RVYXERSSILEOIB-UHFFFAOYSA-N 309.822 2.960 0 40 DFAB COCCCNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 20534655 RTKSGYBYGZGGMP-UHFFFAOYSA-N 319.405 2.517 0 40 DFAB CCOc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 10328302 MFJPGUOSYWQWOP-INIZCTEOSA-N 316.401 2.640 0 40 DFAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(C)n1 49404653 JIEPCKOIADNKLQ-UHFFFAOYSA-N 319.792 2.715 0 40 DFAB O=C(/C=C/c1ccccc1)NCCn1cc(-c2ccoc2)cn1 575615738 UICVQCXBKSEVQH-VOTSOKGWSA-N 307.353 2.973 0 40 DFAB C[C@@](O)(CNC(=O)NCc1cccs1)Cc1ccsc1 618255174 MZGWITBTALZWCP-AWEZNQCLSA-N 310.444 2.603 0 40 DFAB COc1cccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)c1 5154317 AHBZLGKUAJIIGP-UHFFFAOYSA-N 322.368 2.816 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ncccc2c1 26185389 GWUUMXQEPMXJPB-KRWDZBQOSA-N 320.348 2.661 0 40 DFAB COc1ccc(OS(=O)(=O)c2ccc(OC)c(C)c2)cc1 30288631 CHXCQZAFHQBKBE-UHFFFAOYSA-N 308.355 2.780 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2[nH]1 7737739 MEVIQAKOYZSLEY-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB CCOC(=O)c1oc2nc(C)c3c(c2c1N)CC(C)(C)OC3 90045 HQQRTFJCPILGRZ-UHFFFAOYSA-N 304.346 2.746 0 40 DFAB O=C(NCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 260295 YTKUXMRXUUCCSH-UHFFFAOYSA-N 308.381 2.786 0 40 DFAB CCCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 559479 LYRSBADJRVSUDJ-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 1465759 ADKFVONVCIXICR-MLGOLLRUSA-N 307.415 2.824 0 40 DFAB in-vitro C1CCC2(CC1)O[C@@H]1OC[C@H]3OC4(CCCCC4)O[C@H]3[C@H]1O2 4712901 MNXYIFLXTZJYIW-TUVASFSCSA-N 310.390 2.863 0 40 DFAB COc1cccc2[nH]c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3c12 545364 JSQKNGMRIXVNMF-GHMZBOCLSA-N 312.373 2.733 0 40 DFAB COC(=O)c1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1 509315 VWFVDGSXVDZVSJ-XFXZXTDPSA-N 313.334 2.879 0 40 DFAB COc1cc(CN2C(=O)N[C@](C)(C(C)C)C2=O)ccc1SC 68774943 JPWJOCGNYHRPCG-MRXNPFEDSA-N 322.430 2.884 0 40 DFAB CC(=O)N[C@H](CC(=O)NC1CCCC1)c1ccc(Cl)cc1 22872978 QDTOTHAUAIYAQO-OAHLLOKOSA-N 308.809 2.966 0 40 DFAB CCc1cccc(N2CCC(NC(=S)NC3CC3)CC2)c1 60837297 OAHVORLGYFSHSP-UHFFFAOYSA-N 303.475 2.844 0 40 DFAB COc1cccc(C(=O)N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1 100609697 NTGCURASHQAGLR-RKVPGOIHSA-N 314.429 2.642 0 40 DFAB COc1ccc(C(=O)Nc2ccccc2CN(C)C)c(O)c1 24808197 XPOVBHKXJZXYNR-UHFFFAOYSA-N 300.358 2.715 0 40 DFAB COc1ccc(C(=O)NC2CCCCCC2)cc1OCCO 47477151 VGCDKMWIJUTOLQ-UHFFFAOYSA-N 307.390 2.519 0 40 DFAB CC(C)CN1C[C@H](C(=O)Nc2cccc3c2ccn3C)CC1=O 61717995 WUGOFNMGCLCOHC-CYBMUJFWSA-N 313.401 2.621 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2[nH]ccc2c1 107560276 DIFOPWBQGQEDLI-HNNXBMFYSA-N 310.357 2.796 0 40 DFAB CC1(C)CC(NC(=O)NCc2ccc(F)cc2)CC(C)(C)N1 26180285 NSYSXUXWCITZIB-UHFFFAOYSA-N 307.413 2.934 0 40 DFAB CCc1nn2c(=O)cc(COc3ccc(C)c(C)c3)nc2s1 20859033 PWXFHLTYGISZSA-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB Cc1ccc(C)n1-c1c(C(=O)N2CCCCCC2)cnn1C 57179636 FOKPDNIZUOHIGG-UHFFFAOYSA-N 300.406 2.844 0 40 DFAB CC[C@@H](C)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507922 JQQBYUVURRPCPD-SNVBAGLBSA-N 315.398 2.526 0 40 DFAB O=C(NCc1ccco1)c1ccn(COc2ccc(F)cc2)n1 27972331 PVYDLWNDQRSAFQ-UHFFFAOYSA-N 315.304 2.582 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cncc(Br)c1 12556673 QWTOOBSYIBCRHT-UHFFFAOYSA-N 317.146 2.578 0 40 DFAB Cn1ccnc1[C@H](NC(=O)Cc1ccsc1)c1ccccc1 27415451 SVIOAQKRDHZCKK-MRXNPFEDSA-N 311.410 2.930 0 40 DFAB COC(=O)CNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 44900777 WXKJPRMWGCASJZ-UHFFFAOYSA-N 322.364 2.592 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)CC3CC3)c12 47903521 AZLDKEFBVDIHGY-UHFFFAOYSA-N 300.406 2.882 0 40 DFAB CCCN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 2326285 JLNFIZZMAILOPN-LLVKDONJSA-N 301.173 2.625 0 40 DFAB Cc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)no1 48236547 MHYVVTPAYXVODU-UHFFFAOYSA-N 304.331 2.666 0 40 DFAB Cc1ccc(N(C)Cc2cc(=O)n3nc(C)sc3n2)c(C)c1 48365913 UZWFWGCAGAIUGI-UHFFFAOYSA-N 314.414 2.713 0 40 DFAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccncc2)C3)c1 306127194 FRIFTBWBDZMPOO-UHFFFAOYSA-N 318.380 2.910 0 40 DFAB Clc1ccc([C@@H]2CCCN2c2ccc3nnnn3n2)cc1 12923876 SDEIJSWMBOLHSP-LBPRGKRZSA-N 300.753 2.514 0 40 DFAB COc1ccc(COC(=O)c2ccc(NC(N)=O)cc2)cc1F 3522891 QLOPIJZYQGTXGU-UHFFFAOYSA-N 318.304 2.682 0 40 DFAB CCc1ncc2c(n1)CN(Cc1noc(-c3ccccc3)n1)CC2 70038711 MMBLDPFUCWIBTJ-UHFFFAOYSA-N 321.384 2.647 0 40 DFAB C[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)N1CCCC[C@@H]1C 69384010 VTZWJHWIWUJOCV-KKUMJFAQSA-N 317.433 2.836 0 40 DFAB COc1ccc(N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 3885514 MBEIPMUAHISZTR-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB O=C(NCCC(=O)N1CC=C(c2ccccc2)CC1)c1ccco1 8345348 KXHBQXWGQAKKII-UHFFFAOYSA-N 324.380 2.715 0 40 DFAB COc1cccc(C(=O)N(CCC(=O)O)Cc2ccccc2)c1 13429023 TWFMEFRHQHGFEU-UHFFFAOYSA-N 313.353 2.812 0 40 DFAB Cc1cc(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)no1 69451284 RODIOKRDIMRBIC-NSHDSACASA-N 324.381 2.504 0 40 DFAB NC(=O)c1cccc(C(=O)Nc2cccc(-n3cccc3)c2)c1 69457831 BPKSLUFMLHDBGY-UHFFFAOYSA-N 305.337 2.829 0 40 DFAB COc1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)CN(C)C)cc1 69509201 UBWMORZYRNHNCS-HOTGVXAUSA-N 304.434 2.503 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccccc1Cl 69588112 QZOREKQAMKBBAY-UHFFFAOYSA-N 302.721 2.648 0 40 DFAB O=C(Nc1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)O 5161473 CVPYLRRXYBNPQE-AWEZNQCLSA-N 302.305 2.643 0 40 DFAB O=C1OCC2=C1[C@@H](c1ccc(O)cc1)CC(=O)N2c1ccccc1 5325155 CQZFAKYGSKGRDV-OAHLLOKOSA-N 321.332 2.724 0 40 DFAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccco2)c(C)c1 14170417 MUYZLASSONYAFY-UHFFFAOYSA-N 314.385 2.892 0 40 DFAB CCC[C@@H](C)C(=O)N1CCC(n2cccc2C(=O)OC)CC1 65611925 MSLWOSNRYUMDMF-CYBMUJFWSA-N 306.406 2.874 0 40 DFAB Cn1cc(S(=O)(=O)N(c2ccccc2)C2CCCC2)cn1 69817329 SGDLWILSUBICQH-UHFFFAOYSA-N 305.403 2.558 0 40 DFAB COc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cn1 14268947 PFHKPVZUWYNYME-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c2n[nH]cc2c1 69843612 ZGJLBFXDYWMBPY-HOTGVXAUSA-N 312.417 2.570 0 40 DFAB Brc1ccc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1 69846693 WFTGHSHRCHAHFD-ZDUSSCGKSA-N 322.206 2.746 0 40 DFAB CCOC(=O)Nc1nnc(SC[C@@H]2CCCN(C)C2)s1 69978306 XRONPINCCUAZMO-SECBINFHSA-N 316.452 2.540 0 40 DFAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1Cn1cccn1 69923531 QFQCHXLCOKCSMS-GFCCVEGCSA-N 307.756 2.980 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2ccccc2F)cc1 7069740 PLUYKIYZDHQMNH-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 22774099 CMMUAZCGVOFKEG-UHFFFAOYSA-N 323.440 2.751 0 40 DFAB C[C@@H](NC(=O)CSc1nncs1)c1ccc(F)cc1F 7194489 IVNMBBOSFKTQLT-SSDOTTSWSA-N 315.370 2.786 0 40 DFAB O=C(COc1ccccc1)NCc1ccccc1CN1CCCC1 24189734 GERSAEKSLXKTPM-UHFFFAOYSA-N 324.424 2.978 0 40 DFAB O=C(Nc1cccc(-c2cccs2)c1)N[C@@H]1CCCNC1=O 75582232 DTWSCFDAXONLEV-CYBMUJFWSA-N 315.398 2.815 0 40 DFAB O=C(O)C1(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)CC1 96004369 DEEYYGKDWIJMFB-UHFFFAOYSA-N 309.312 2.536 0 40 DFAB O=C(Cc1ccon1)N[C@H](c1c(F)cccc1F)C(F)(F)F 96002325 DQJYMBMYGYEPIC-GFCCVEGCSA-N 320.217 2.915 0 40 DFAB CCO[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)c1ccccc1 71866673 HOWSQDDIAYHVKT-IAGOWNOFSA-N 313.401 2.652 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 76022963 TVNAKOGVKUNFTP-CVEARBPZSA-N 318.417 2.520 0 40 DFAB CC(C)(C)c1nc(CNC(=O)NCc2ccccn2)cs1 72230619 OWZCSNQAXFLTPU-UHFFFAOYSA-N 304.419 2.835 0 40 DFAB COC(=O)c1ncccc1N1CCC[C@@H](c2nccs2)C1 97047781 XMPAKYKMUNDWRR-LLVKDONJSA-N 303.387 2.709 0 40 DFAB O=C(OCc1cncs1)c1cccc(N2CCCC2=O)c1 97050402 FOUJJXHUPBLELF-UHFFFAOYSA-N 302.355 2.627 0 40 DFAB Cc1nnc([C@@H]2CCCN2C(=O)CCc2cccc(F)c2)o1 84291427 VMDQDSQGJULPOQ-AWEZNQCLSA-N 303.337 2.813 0 40 DFAB CC(C)n1nc(CC(=O)Nc2ccccn2)c2ccccc2c1=O 72400735 XROKGKKDQZCRIB-UHFFFAOYSA-N 322.368 2.554 0 40 DFAB O=C(Cc1cccs1)N1CCC[C@H]1c1noc(C2CC2)n1 84442205 FNUMUUFLRFGYHW-LBPRGKRZSA-N 303.387 2.915 0 40 DFAB COc1cc(CN[C@H](C)c2c(C)nn(C)c2C)cc(OC)c1 78757992 LZOYFCDDEZUPFC-LLVKDONJSA-N 303.406 2.905 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c(=O)[nH]1 95443760 HMCHSECKZGYUPA-UHFFFAOYSA-N 318.283 2.750 0 40 DFAB CCc1ccsc1CNC(=O)/C=C/c1ccc(C(N)=O)cc1 95410209 LYIDLOZOPFESSU-VMPITWQZSA-N 314.410 2.739 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 95436280 KIRQUDAWUMIKCZ-MJBXVCDLSA-N 306.431 2.813 0 40 DFAB CN(C)c1ccc(NC(=O)c2occc2Br)nc1 95409192 WBQVIQORLALRIT-UHFFFAOYSA-N 310.151 2.755 0 40 DFAB Nn1c(Cc2ccccc2)nnc1SCC(=O)c1ccccc1 409100554 USJNPNWGVBTZQJ-UHFFFAOYSA-N 324.409 2.558 0 40 DFAB Cn1c(SCOC(=O)C(C)(C)C)nc2ccsc2c1=O 95982874 BTIOXRASHAQLAN-UHFFFAOYSA-N 312.416 2.634 0 40 DFAB C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95971253 NISJPHNDJNUSHK-BZNIZROVSA-N 322.368 2.988 0 40 DFAB COc1ccccc1OCCC(=O)N1CCn2cccc2[C@@H]1C 74293742 ZYGNBNKLIRMCHS-AWEZNQCLSA-N 314.385 2.869 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)N(C)Cc1ccncc1 74744149 XOTWCVZGJULBID-CQSZACIVSA-N 300.406 2.583 0 40 DFAB COc1cccc(CCCNC(=O)COc2ccccc2F)c1 66436150 XBYFTQJEMOABSU-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB COc1ccc2ccccc2c1[C@H](CN)N1C[C@H](C)O[C@@H](C)C1 33455601 RHKIELOGOLFZBF-ZQIUZPCESA-N 314.429 2.957 0 40 DFAB Cc1nc(CN2CC3(C2)CN(C(C)C)c2cccnc23)cs1 306136390 PSGLKPWZOVOIDH-UHFFFAOYSA-N 314.458 2.829 0 40 DFAB CCC(=O)c1ccc(O[C@@H](C)C(=O)NCC(F)(F)F)cc1 78971755 VPXPCAMTWYAKAQ-VIFPVBQESA-N 303.280 2.725 0 40 DFAB C[C@@]1(c2ccccc2)CC[C@@H](NCC2CCN(CCO)CC2)C1 187975829 JWLGATTWNVIPRV-WOJBJXKFSA-N 316.489 2.791 0 40 DFAB CCN(C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NC2)c1ccccc1 78657351 MADBAPMHZBYLRV-QGZVFWFLSA-N 323.396 2.562 0 40 DFAB CN1CC[C@H](Nc2ccc3cc(Br)ccc3n2)C1=O 77226603 OSMJCOHFDBNZDP-LBPRGKRZSA-N 320.190 2.640 0 40 DFAB COc1ccc(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 30752557 TUNWNYOSMOTSLW-IYBDPMFKSA-N 318.461 2.722 0 40 DFAB O=C(NCCCc1nnc2ccccn12)c1cc2ccccc2[nH]1 36358069 IYLSKPNAWCDXTA-UHFFFAOYSA-N 319.368 2.573 0 40 DFAB Cc1cc(COc2ccc(O[C@@H]3CCCCNC3=O)cc2)on1 79353996 SVZIVKNYRKZEDK-MRXNPFEDSA-N 316.357 2.610 0 40 DFAB c1cnn(-c2ccc(CNc3nnc([C@H]4CCCO4)o3)cc2)c1 181970697 HITOAUFKQVCVBO-CQSZACIVSA-N 311.345 2.719 0 40 DFAB Cc1cccc(N(CCC(N)=O)C[C@H](O)c2cccc(F)c2)c1 76746926 LENHETDIRCXCQE-KRWDZBQOSA-N 316.376 2.550 0 40 DFAB Cc1cc(CC(=O)NC(C)(C)COCc2ccccc2)no1 225598374 ILWRAUJKFKNTNY-UHFFFAOYSA-N 302.374 2.637 0 40 DFAB O=C(Cc1noc(-c2coc(CC3CC3)n2)n1)Nc1ccccc1 193175632 PQEOGMIESRKJRD-UHFFFAOYSA-N 324.340 2.858 0 40 DFAB COCc1csc(NC(=O)Nc2cc([C@H]3C[C@H]3C)n[nH]2)n1 192273623 QXDZJQWTCTUOCQ-APPZFPTMSA-N 307.379 2.780 0 40 DFAB Fc1ccc([C@@H]2OCC[C@H]2NCCCn2ccnc2)cc1F 192137921 LXIIGKBGNZOCRU-CVEARBPZSA-N 307.344 2.671 0 40 DFAB C[C@H]1C[C@H](CCNC(=O)N2CCC(c3ncc[nH]3)CC2)CCO1 332909427 XQYDWMIPQGOAAC-UONOGXRCSA-N 320.437 2.504 0 40 DFAB CC(C)COC[C@H](C)NC(=O)c1c(C(C)C)nn(C)c1Cl 96422327 VXSAAQCTZFVFIW-NSHDSACASA-N 315.845 2.988 0 40 DFAB Fc1cc(I)cnc1Br 238607318 HCDXVQAOGHCOBP-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB COc1ccsc1C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 96445517 JHRPROQMCLMTIU-QKVFXAPYSA-N 323.439 2.606 0 40 DFAB c1ccc(OC[C@@]23CCO[C@@H]2CCN(Cc2ccoc2)C3)nc1 96208816 IOBBCDOGFADIHT-AEFFLSMTSA-N 314.385 2.735 0 40 DFAB C[C@@H](NC(=O)C1=CCCC1)c1cc(F)ccc1N1CCOCC1 97227926 ZEPKZMNWCZTYSC-CYBMUJFWSA-N 318.392 2.950 0 40 DFAB c1sc(N2CCCC2)nc1[C@H]1COCCN1CC1CCC1 96218049 DKXCYYKBARWRIH-OAHLLOKOSA-N 307.463 2.917 0 40 DFAB CC(C)N(CC(C)(C)O)C(=O)NC[C@H]1CCOc2ccccc21 96483807 LVCWPADZHGFGKD-CQSZACIVSA-N 320.433 2.744 0 40 DFAB Cc1ccc(CN2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)s1 96223392 MQCPIEIVMHQYSZ-GOEBONIOSA-N 318.446 2.644 0 40 DFAB COc1ccc(-c2n[nH]c([C@H](N)c3cccc(OC)c3)n2)cc1 95533514 ZSEWBASXQHOFNK-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB O=C(Nc1ccc2cc[nH]c2c1)C1CCC(Cn2cnnn2)CC1 96231024 DNUUXGMNOWOENP-UHFFFAOYSA-N 324.388 2.600 0 40 DFAB Cn1cncc1CN1CCC[C@H](Cc2nccn3cccc23)CC1 257236850 HEAQEVAYVKZSLZ-INIZCTEOSA-N 323.444 2.913 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](n2cc(C3CC3)nn2)C1 253472392 LZYLKVSEWUZSID-AWEZNQCLSA-N 321.384 2.724 0 40 DFAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCNC2)o1 257221643 DPYVBVNTRSIKBT-UONOGXRCSA-N 320.437 2.636 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CCOC[C@@H]3c3ccn[nH]3)cc2c1C 257199843 AAZNJDMFBHDBNI-QGZVFWFLSA-N 324.384 2.722 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@H](Cc2ccccn2)C1 257237987 HJCHDGPCXHHKQN-CQSZACIVSA-N 311.385 2.580 0 40 DFAB CN(C)c1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)nc1 257264332 LTYLLAUIBWKJIW-QZTJIDSGSA-N 303.450 2.631 0 40 DFAB O=C(O)[C@H](Cc1ccc(Br)cc1)N1CCCCC1 41563001 AZMAUQFGMLPXLV-ZDUSSCGKSA-N 312.207 2.931 0 40 DFAB Cc1n[nH]c(C)c1CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 131396175 FAFVTAPVTWDKTQ-UONOGXRCSA-N 322.453 2.952 0 40 DFAB O=C(Nc1ccc2cn[nH]c2c1)[C@H](c1ccccc1)n1cccn1 68098196 JQALKTDPZPCQKP-KRWDZBQOSA-N 317.352 2.988 0 40 DFAB COc1cc2c(=O)[nH]c(-c3ccccn3)nc2cc1OC(F)F 65578871 JWAGFZONXNLECX-UHFFFAOYSA-N 319.267 2.595 0 40 DFAB CCCc1sc(C(=O)N2CC(n3cncn3)C2)cc1CC 65610424 MWZSHSMAGJFSOG-UHFFFAOYSA-N 304.419 2.552 0 40 DFAB CCN1CCC(NCc2cc(Cl)c3c(c2)OCCO3)CC1 37976779 RCLCHINMVSJVMZ-UHFFFAOYSA-N 310.825 2.685 0 40 DFAB O=c1ccc(F)cn1Cc1ccc(F)c(Br)c1 190752111 MQEWEEHAGGIUDJ-UHFFFAOYSA-N 300.102 2.937 0 40 DFAB COc1ccc(C(=O)COC(=O)c2c(C)noc2C)cc1Cl 5086758 FARROZGDOLSVNU-UHFFFAOYSA-N 323.732 2.993 0 40 DFAB CC(C)(C)OC(=O)NCCn1cnc2ccc(Cl)cc2c1=O 11866632 OPZPHZNWNHOVSU-UHFFFAOYSA-N 323.780 2.575 0 40 DFAB Cc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)o1 13285580 UJWDEILFYMKFEY-NVNXTCNLSA-N 310.378 2.975 0 40 DFAB Cc1nc2ccccc2nc1C(=O)Nc1ccccc1C(=O)O 16265092 PSCJBAYCACBZOY-UHFFFAOYSA-N 307.309 2.889 0 40 DFAB CCn1cc(C(=O)N2CCCC[C@H]2C)c(=O)c2ccc(C)nc21 215439 YOGPDCJFFPBXET-CYBMUJFWSA-N 313.401 2.739 0 40 DFAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cc2ccccc2s1 238827232 FATKMKXBVUDNLV-CYBMUJFWSA-N 314.414 2.947 0 40 DFAB CC(C)[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 173987879 LNVVNDXQCALCPR-SNVBAGLBSA-N 320.252 2.913 0 40 DFAB O=c1c2ccccc2nc2sc(=Nc3cccc(F)c3)[nH]n12 2087079076 BKDDWMPZXQFIAA-UHFFFAOYSA-N 312.329 2.609 0 40 DFAB CCOc1nn(CC)cc1C(=O)NCc1ccccc1Cl 9070225 KHRZOLWBBDFBJF-UHFFFAOYSA-N 307.781 2.885 0 40 DFAB S=c1[nH]nc(-c2ccco2)n1Cc1ccc2c(c1)OCO2 13692452 WYBQXDXYGWJJEX-UHFFFAOYSA-N 301.327 2.978 0 40 DFAB CSCC[C@@H](O)CNC(=O)NCc1cccc2ccccc12 1775967586 XGDKXARYHBQCHT-OAHLLOKOSA-N 318.442 2.753 0 40 DFAB O=C(NC1CCCCC1)C1CCN(C(=O)c2ccoc2)CC1 30804464 KXSSKSCPXPURCE-UHFFFAOYSA-N 304.390 2.581 0 40 DFAB CC(=O)NCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 40485534 NTGNEWUPDWKMBM-UHFFFAOYSA-N 322.408 2.784 0 40 DFAB Cc1ccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c2c1 2403742 VZBASSFAPPFTCN-UHFFFAOYSA-N 324.384 2.763 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)[C@@H]1CCCO1 40508992 VVQBAPLAUKMGJO-PWSUYJOCSA-N 313.829 2.798 0 40 DFAB Cc1cccc(C)c1N1C(=O)C[C@H](N(O)c2ccccc2)C1=O 101027692 YDGKEUGHLCDTES-HNNXBMFYSA-N 310.353 2.831 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1cc(F)cc(F)c1 7694071 DONUISYWDXESCI-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB O=C(NCCCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 6699604 MFRBGFQLDDSTEI-QZWWFDLISA-N 313.397 2.648 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H]1C[C@H](C)OC1=O 32741791 SWNJRNPQPAOQMD-JOYOIKCWSA-N 317.366 2.979 0 40 DFAB NC(=O)c1cc(-c2csc(Nc3ccccn3)n2)ccc1O 32899513 WWDVVTUXHARMQO-UHFFFAOYSA-N 312.354 2.753 0 40 DFAB Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1 481377 QFVYCDKSQCZUFK-UHFFFAOYSA-N 302.277 2.515 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccco3)n2)CN1Cc1ccccc1 56905958 FLGUXBGHELHXSZ-CYBMUJFWSA-N 309.325 2.846 0 40 DFAB CC(C)(C)N(Cc1ccccc1)C(=O)Cn1ccsc1=N 103372743 BVIVBZPXIQYKBU-UHFFFAOYSA-N 303.431 2.856 0 40 DFAB CC(=O)c1cccc(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 103500052 VSZWFYWSONWLOG-MRXNPFEDSA-N 308.337 2.633 0 40 DFAB COc1ccc(F)cc1COC(=O)c1ccc(NC(N)=O)cc1 24287393 UIKCLRDZVJHDBU-UHFFFAOYSA-N 318.304 2.682 0 40 DFAB COc1ccc2cc(CN(C)Cc3nnnn3C3CC3)ccc2c1 23004240 BTGQWJUMIZKNOK-UHFFFAOYSA-N 323.400 2.802 0 40 DFAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 1005996 FAEUZFKNMOFYMD-IZZDOVSWSA-N 309.343 2.576 0 40 DFAB Clc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1 105802032 HXGSHUHCSYBATM-AWEZNQCLSA-N 302.809 2.889 0 40 DFAB O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)nn1 24840050 XRPQVYUWKVOTGU-UHFFFAOYSA-N 304.781 2.983 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1 25137067 XMOBOXUAZSAWCO-UHFFFAOYSA-N 317.345 2.824 0 40 DFAB CN1C(=O)[C@@H](C(=O)O)[C@@H]2C[C@]1(c1ccccc1)Oc1ccccc12 102102648 DVGVIPQIDVPUIW-SIXWZSSISA-N 323.348 2.579 0 40 DFAB Cc1nc2ccccc2n1C[C@H](O)CN1CCc2ccccc2C1 58137165 MUDANPLNCNGAEN-GOSISDBHSA-N 321.424 2.764 0 40 DFAB COC(=O)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)nn1C 408562618 QYZXQJMGYCAALR-UHFFFAOYSA-N 316.357 2.723 0 40 DFAB Cc1ccccc1OCCCN1CCC(NC(=O)C2CC2)CC1 58277719 CEGGMGFRVMFUEC-UHFFFAOYSA-N 316.445 2.755 0 40 DFAB CCCc1noc([C@@H](C)N2CCN(c3ccccc3O)CC2)n1 27765295 KUTSCHTYMVYPJW-CYBMUJFWSA-N 316.405 2.611 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN(CCc3ccncc3)C2)n1 58331142 OGPQFICJQRWCOU-KRWDZBQOSA-N 324.428 2.678 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1F 58370431 LVNWQJGBRLBROA-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)nn12 3355754 TZOXPLWDWKOXDR-UHFFFAOYSA-N 321.262 2.704 0 40 DFAB CCOC(=O)[C@]1(c2cccn2C)Sc2ccccc2NC1=O 3369754 ZJEFDMSNUMTLKV-MRXNPFEDSA-N 316.382 2.528 0 40 DFAB COc1cc([C@H]2NC(=O)c3ccccc3O2)cc(OC)c1OC 2205204 FDNNIPRDWWXVPS-KRWDZBQOSA-N 315.325 2.533 0 40 DFAB CCc1noc(C)c1C(=O)NCc1ccc(NC(=O)OC)cc1 58423787 YBEZKFZWZIZUHY-UHFFFAOYSA-N 317.345 2.654 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(C(=O)O)ccc1O 170516956 QKGMGLDPVRNUAY-FPYGCLRLSA-N 301.273 2.881 0 40 DFAB C[C@@H](CC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 12793925 ZBAOOBXSYVTFJQ-ZDUSSCGKSA-N 307.357 2.795 0 40 DFAB O=S(=O)(CCN1CCCC1)c1cc(Cl)ccc1Cl 48419124 QFIOPMKJFBOIJC-UHFFFAOYSA-N 308.230 2.863 0 40 DFAB Cc1sc2nc(NCCO)n(C3CCCC3)c(=O)c2c1C 69173190 XZXYOEPBNQWLLS-UHFFFAOYSA-N 307.419 2.594 0 40 DFAB O=C(CCc1ccsc1)NC[C@@H]1COC2(CCCCC2)O1 49504187 YYXWTIHJRZVPOI-CQSZACIVSA-N 309.431 2.873 0 40 DFAB CCN(CC)C(=O)[C@H](C)N1C(=O)c2cccc3cccc(c23)C1=O 4159804 BDLBNEFRESKIBJ-LBPRGKRZSA-N 324.380 2.693 0 40 DFAB O=C(OC[C@@H]1CCCCO1)[C@H](c1ccccc1)n1cccn1 64867026 BSSADHGNPZREPL-HOTGVXAUSA-N 300.358 2.585 0 40 DFAB O=C(CCCc1ccccc1)N1CCC(Nc2cccnn2)CC1 69655051 XAVLRDBAHDVUMI-UHFFFAOYSA-N 324.428 2.902 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnnn1C 6643532 SIMQGMJJWAGPJQ-LLVKDONJSA-N 319.434 2.761 0 40 DFAB CN(CCc1ccncc1)C(=O)C1=NO[C@@H](c2ccccc2)C1 69708315 BECHXOPMBLUADR-QGZVFWFLSA-N 309.369 2.600 0 40 DFAB O=C1c2ccccc2[C@@]2(c3ccccc3)N1CCN2C(=O)C1CC1 5684986 ZVPXTYAXKBWGLL-HXUWFJFHSA-N 318.376 2.596 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C 5704670 XPMDZDYRTVPYGE-GFCCVEGCSA-N 318.295 2.684 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccs2)cc1 8778781 WLEFWFAOSGUFCT-UHFFFAOYSA-N 311.366 2.965 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)no1 7258135 NMDVKGAFHYEDDK-VIFPVBQESA-N 320.370 2.717 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccsc2)c1C 9052715 PEQKLYGKYOEUQS-UHFFFAOYSA-N 306.387 2.752 0 40 DFAB CN1CCC(N(C)C(=O)c2ccc(Br)cc2)CC1 19434130 RILWOYZLXISFDD-UHFFFAOYSA-N 311.223 2.615 0 40 DFAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)[C@H]1COc2ccccc21 89894434 GEFFEBOUVJHRAY-SMDDNHRTSA-N 307.353 2.857 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(CCCSCC(C)C)C1 89984746 IQXUKKJPBNRNKS-CQSZACIVSA-N 302.484 2.976 0 40 DFAB Cc1ncsc1CNC(=O)N[C@@H]1CCc2ccccc2C1 72274296 LJGROGNJYURADT-CQSZACIVSA-N 301.415 2.808 0 40 DFAB CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccncc1 72287988 DVMIKXCQIHWHGN-GJZGRUSLSA-N 305.422 2.722 0 40 DFAB O=C(CCc1cccs1)N[C@@H](C(=O)O)c1ccccc1F 97036434 BRSKHQDHTCSZKJ-CQSZACIVSA-N 307.346 2.762 0 40 DFAB C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccncc1 97032662 XGSHKZVZGYVLEK-APWZRJJASA-N 311.429 2.806 0 40 DFAB CCc1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F 97034210 GESSKJXZNAZEIG-PWSUYJOCSA-N 307.369 2.506 0 40 DFAB CNC(=O)COc1ccc(OCc2ncc(C(C)(C)C)o2)cc1 84284683 DRRZAVCXXSRWDE-UHFFFAOYSA-N 318.373 2.676 0 40 DFAB O=C(CN1CCCC1=O)NC(c1ccccc1)c1ccccc1 60747894 ABBZMOFESGLYLL-UHFFFAOYSA-N 308.381 2.515 0 40 DFAB Cc1nc(CNC(=O)c2cc(N(C)C)nc3ccccc23)oc1C 97237032 GVNDMALTFLBRLI-UHFFFAOYSA-N 324.384 2.836 0 40 DFAB Cc1ccc(CNC(=O)N(C)C2CCC2)c(O[C@H]2CCOC2)c1 95412648 UECHFNJZGUCGPG-INIZCTEOSA-N 318.417 2.857 0 40 DFAB Cc1ccc(F)cc1NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 95458165 AMGDUSYXEBHZKU-BBRMVZONSA-N 308.353 2.594 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3cc(C)ccc32)C1 95423875 UXPOAKKVTBATGC-GDBMZVCRSA-N 302.418 2.809 0 40 DFAB [O-][n+]1ccccc1OCc1nn(-c2ccccc2)c2c1CCC2 89521159 SYCJFMLPXVSBDZ-UHFFFAOYSA-N 307.353 2.573 0 40 DFAB Cc1cccc(S(=O)(=O)CC(=O)N(C2CC2)[C@H](C)C2CC2)c1 79013861 WESSQOYBJIDQTC-CYBMUJFWSA-N 321.442 2.558 0 40 DFAB CCCNC(=O)CCCC(=O)NC(C)(C)c1ccc(F)cc1 79001051 RIWPROZWRYIYTL-UHFFFAOYSA-N 308.397 2.874 0 40 DFAB CC(C)[C@@H](CO)NC(=O)N[C@H](c1ccccn1)C1CCCC1 79012736 KDXVTDQMZXNPBS-CVEARBPZSA-N 305.422 2.629 0 40 DFAB CC(C)c1nn(C)c2sc(C(=O)NO[C@H]3CCCCO3)cc12 79864821 KBYPZPUFKOXLAK-LBPRGKRZSA-N 323.418 2.946 0 40 DFAB CSc1cccc(N2C[C@H](C(=O)NC(C)(C)C)CC2=O)c1 65403093 OOGISNDROLWXAQ-LLVKDONJSA-N 306.431 2.676 0 40 DFAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 34885362 SVQZSGYEZGVVEN-VMPITWQZSA-N 322.792 2.654 0 40 DFAB Clc1ccccc1-c1nnc2sc(-c3cnccn3)nn12 32091184 XGUCVBNIAHPYLQ-UHFFFAOYSA-N 314.761 2.963 0 40 DFAB Cc1nc(OCC(=O)NCc2ccccc2)c2ccccc2n1 33287292 RGIYYJYDGYBEGR-UHFFFAOYSA-N 307.353 2.633 0 40 DFAB CC(C)[C@@H]1CC(NCCCN2CCOCC2)C[C@@H](C(C)C)O1 524734812 ABLARZIPFNVEDP-ROUUACIJSA-N 312.498 2.527 0 40 DFAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc2nnnn2c1 531554853 HQCOZUBPARNEFL-ZDUSSCGKSA-N 309.373 2.565 0 40 DFAB O=S(=O)(Cc1ccccc1)N[C@H](CCCO)c1ccccc1 77410282 WEJJJGIWPBSPLC-QGZVFWFLSA-N 319.426 2.620 0 40 DFAB CC(=O)Nc1nc(CN[C@@H](C)c2nc(C(C)(C)C)no2)cs1 185166722 VOIGXAYCHCHUGO-QMMMGPOBSA-N 323.422 2.633 0 40 DFAB CN(CC(F)(F)F)C(=O)N(C)c1cccc(CCC(=O)O)c1 556915029 WNHOEDUAMBRLFQ-UHFFFAOYSA-N 318.295 2.754 0 40 DFAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1cccnc1 79485384 LBQGAAFJXGDDIA-GFCCVEGCSA-N 304.375 2.989 0 40 DFAB COc1ccc([C@H]2C[C@@]23C(=O)Nc2ccc(C(=O)O)cc23)cc1 217476065 LDAPUXLKXOPVGQ-KDOFPFPSSA-N 309.321 2.771 0 40 DFAB COc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(C(=O)O)cc23)cc1 217476233 LDAPUXLKXOPVGQ-RDTXWAMCSA-N 309.321 2.771 0 40 DFAB CCC[C@@H](CC1CCCCC1)C(=O)NCCS(C)(=O)=O 79092435 QLDVOSBLIMBCCW-AWEZNQCLSA-N 303.468 2.534 0 40 DFAB C[C@H](Oc1ccccc1Br)C(=O)Nc1cc[nH]n1 78999374 MQMKKMYOEUPOBB-QMMMGPOBSA-N 310.151 2.578 0 40 DFAB O=C(N[C@H](C(=O)O)c1ccsc1)c1cnc(C2CC2)s1 565250182 ISKFFRIHBDWFSM-JTQLQIEISA-N 308.384 2.638 0 40 DFAB CC(=O)N1CCC(C(=O)OCCc2cccc(Cl)c2)CC1 78986247 NVZRWOKTGGTFFE-UHFFFAOYSA-N 309.793 2.684 0 40 DFAB CCn1cc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 562447149 KPSGOILJROKABB-JKSUJKDBSA-N 316.380 2.740 0 40 DFAB c1ccc(CN2CCC[C@H]2c2cccnc2N2CCNCC2)cc1 72216332 AAWWVCMRDLGASW-IBGZPJMESA-N 322.456 2.828 0 40 DFAB CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1 78556715 PCCVLSXYAYBKKN-UHFFFAOYSA-N 317.823 2.663 0 40 DFAB CNC(=O)[C@@]1(C)CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 568410480 NZNPGVRJPZBWPT-SFHVURJKSA-N 302.418 2.582 0 40 DFAB O=C(Cc1ccsc1)N[C@H](c1cccnc1)C1CCOCC1 225622236 XCILDACUEBRMFW-KRWDZBQOSA-N 316.426 2.970 0 40 DFAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(NC(N)=O)cc1 45782867 ACSFJZBZWHZFGQ-SNVBAGLBSA-N 301.321 2.807 0 40 DFAB Cc1ccc(F)c(-c2cc(NC(=O)C3CCOCC3)[nH]n2)c1 190109642 RCMPCSIJPQMJJZ-UHFFFAOYSA-N 303.337 2.889 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NC[C@@H]2CCCO2)c(C)c1 225319044 INDAXDLWDWXHQJ-ZDUSSCGKSA-N 322.430 2.637 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CCCC12OCCO2 225804990 NTSZGXFOJSRRBI-NWDGAFQWSA-N 323.364 2.555 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@H](C)c2cccnc2)C1 194325953 XUZMKCHBNOUUQB-KDOFPFPSSA-N 318.417 2.623 0 40 DFAB C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)O 195542068 FQFJLBRFLWVQNY-FXAINCCUSA-N 315.291 2.646 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2cnccn2)C1 225467977 UHJVOQPSTDENTI-CQSZACIVSA-N 322.368 2.642 0 40 DFAB CN(Cc1cscn1)S(=O)(=O)c1ccc(Cl)cc1F 48278719 WDZJDDOHQYLNRV-UHFFFAOYSA-N 320.798 2.756 0 40 DFAB O=C(O)c1c[nH]c2cc(Cl)c(Br)cc2c1=O 95532210 YRQWTNVTCFUWGK-UHFFFAOYSA-N 302.511 2.642 0 40 DFAB CCOC(=O)[C@H]1CC[C@]2(C[C@@H]1C)NC(=O)c1ccccc1N2 96485384 PMZOJTXMWUDVDU-NVGCLXPQSA-N 302.374 2.538 0 40 DFAB c1cncc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3CNc2cccnc2)c1 96250157 VOHAWVZHFZPXLG-NZSAHSFTSA-N 324.428 2.568 0 40 DFAB Cc1cccc(Cl)c1OC[C@H](O)COC1CCOCC1 96484794 OHXCGHJJXHZURW-GFCCVEGCSA-N 300.782 2.584 0 40 DFAB O=C(Nc1ccc(COC2CCCC2)cc1)C(=O)NC1CCC1 96418144 FLJOVDPLKQVLBY-UHFFFAOYSA-N 316.401 2.753 0 40 DFAB CC(C)c1ccc(CCCN[C@H]2CCCS(=O)(=O)C2)cc1 97230713 PZQZQZCEAZIYQB-KRWDZBQOSA-N 309.475 2.909 0 40 DFAB CSCC(=O)NC[C@@H](C)Oc1ccccc1Br 96451759 PBTYKHJBVLKQDR-SECBINFHSA-N 318.236 2.696 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](C)Sc1ccccc1 96431327 MNUUHCUQEAXFBM-UONOGXRCSA-N 318.446 2.752 0 40 DFAB Cc1cc(C)n([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)n1 91211785 IXVQUHSAJWBCRT-OAHLLOKOSA-N 323.400 2.563 0 40 DFAB CN(Cc1ccccn1)C1CC2(CCN(c3ncccn3)CC2)C1 96159263 DBXQZZLCZJDXOR-UHFFFAOYSA-N 323.444 2.753 0 40 DFAB Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)nn1 333994613 MLXMLNGMSAKDFR-KRWDZBQOSA-N 323.396 2.779 0 40 DFAB Cc1ccc(C)c(CN2CC3(C2)OCC[C@H]3CCN(C)C)c1 248127860 PJZONRJRBIYMLB-GOSISDBHSA-N 302.462 2.846 0 40 DFAB C[C@]1(O)CCN(Cc2cccnc2)C[C@@H]1Oc1cccc(F)c1 257311137 UIDYGJMQNICAAR-ROUUACIJSA-N 316.376 2.625 0 40 DFAB COCc1ccc(C(=O)NCc2ccccc2-n2ccnc2)o1 97676706 LWYUBDQLYDBIDS-UHFFFAOYSA-N 311.341 2.542 0 40 DFAB NCC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98211069 KQWGYJGFAUENAI-VIFPVBQESA-N 317.185 2.632 0 40 DFAB CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H](C)[S@](C)=O 89888052 JVOQSZOXOIFHDD-CFMSYZGJSA-N 317.838 2.624 0 40 DFAB Cc1ccc(CC(=O)Nc2ccnn2Cc2ccc(C)o2)cn1 80327796 RBDOKLKCQOMUCO-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB CCN(C[C@@H](O)c1ccccc1Br)CC(C)(C)O 95973105 KOPZQJONGRVDMH-CYBMUJFWSA-N 316.239 2.575 0 40 DFAB COc1ccc(OCC(=O)NCCOc2ccc(C)cc2)cc1 5814534 MTWUZNVAJFNGDJ-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB Cc1n[nH]c(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1 11705555 AJJJSAABZJXDRU-ZDUSSCGKSA-N 302.403 2.569 0 40 DFAB COc1ccc([C@H]2C[C@H](c3cccs3)Nc3nnnn32)cc1 13122134 UNCMYOBVUKMFSC-CHWSQXEVSA-N 313.386 2.890 0 40 DFAB O=C(N[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)C1CC1 1889111384 HSJSDLWVGGAVLT-GFCCVEGCSA-N 319.792 2.976 0 40 DFAB CN1CCN(C(=O)Cc2ccccc2F)[C@H](c2ccccc2)C1 30997342 MHMFEPYZUALXDP-SFHVURJKSA-N 312.388 2.884 0 40 DFAB COc1ccc(CNC2CCN(C)CC2)cc1Br 34996634 NVQNSPQDEQWMSP-UHFFFAOYSA-N 313.239 2.642 0 40 DFAB CCCCCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2C1CC1 1775963791 CQMMLABEKRTVQY-ARLBYUKCSA-N 306.450 2.718 0 40 DFAB biogenic,in-vitro Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCN(c3ccccn3)C2)n1 2037666359 YVLMLUGKJRKYOU-AWEZNQCLSA-N 320.400 2.872 0 40 DFAB c1ccc2c(c1)ncn2-c1cnc(C[C@H]2CCCNCC2)cn1 2037838328 DNVLXRUKDBLFOK-AWEZNQCLSA-N 307.401 2.748 0 40 DFAB COCc1cncc2c1CCN(C(=O)c1c(C)cccc1F)C2 1565548030 WMOMZDPPSFCENC-UHFFFAOYSA-N 314.360 2.874 0 40 DFAB CCOc1ccccc1/C=c1/sc2nc3ccccc3n2c1=O 82932 SCYAWFWGXSNPTM-LFIBNONCSA-N 322.389 2.856 0 40 DFAB CCCc1cc(=O)[nH]c2nnc(SCc3cccc(C)c3)n12 4250246 MZUIGSKQIKQVGF-UHFFFAOYSA-N 314.414 2.971 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 5029088 LZFBWKVPXLHZPZ-SFHVURJKSA-N 324.380 2.847 0 40 DFAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1ccc(F)cc1 11694600 UBDMZIHTZJCRKL-UHFFFAOYSA-N 312.304 2.786 0 40 DFAB Cc1cc(C(=O)Nc2cccc3ccc(-n4ccnc4)nc23)no1 49028076 BTSJSBOWEUDROT-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB C[C@H]1CCc2c(C(=O)N[C@@H](C)Cn3cccn3)csc2C1 40091818 IGROSDPWMKJCEM-RYUDHWBXSA-N 303.431 2.888 0 40 DFAB Cc1c(O)ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c1O 138880 ASQVFGVNEMRQOR-UHFFFAOYSA-N 314.337 2.993 0 40 DFAB biogenic CC(C)[C@@H](C(=O)O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 121639 JVVPEDTYVHWUKV-JTQLQIEISA-N 316.140 2.699 0 40 DFAB COc1ccc(CCNc2nc(C)c(C(=O)O)s2)cc1OC 8024779 IROUIXLUDVUIOP-UHFFFAOYSA-N 322.386 2.822 0 40 DFAB Cn1nccc1/C=C/C(=O)Nc1nnc(C2CCCCC2)s1 31893342 GDQZSFCYPFOVBA-BQYQJAHWSA-N 317.418 2.971 0 40 DFAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccccc1F 8179898 NYUPNXGEXWOKQS-QPEQYQDCSA-N 311.268 2.899 0 40 DFAB O=c1c2ccccc2nnn1Cc1cccc(Br)c1 4744402 LAQSTBODXVGSQC-UHFFFAOYSA-N 316.158 2.602 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1 6316424 WWAFGUQLKKVZNU-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 6630194 BBWYXRHUUSFTSZ-XNTDXEJSSA-N 317.364 2.729 0 40 DFAB CCc1nnc(NC(=O)CCc2nc3ccccc3o2)s1 21288399 LEVIAZVEMRATCU-UHFFFAOYSA-N 302.359 2.813 0 40 DFAB CSc1nc(CN2CCC[C@@H]2c2cccs2)cc(=O)[nH]1 32751425 HGTVHBVESZRYTP-LLVKDONJSA-N 307.444 2.890 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 8132781 LDDQOJOMHWLGPI-CRAIPNDOSA-N 324.424 2.942 0 40 DFAB COc1cccc(CNC[C@@H](C)O)c1OCc1ccccc1 8535103 PVGOZSCKBLOTMF-CQSZACIVSA-N 301.386 2.745 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1C(=O)C1CC1 32827139 LKAFYBOGRXEPRF-CQSZACIVSA-N 306.793 2.988 0 40 DFAB COc1ccc2[nH]c3c(=O)n(Cc4ccccc4)cnc3c2c1 526151 JHPKZGUEGCRBRU-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB biogenic CCCn1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1=O 47231031 ZCVQDQIFQBJMOV-UHFFFAOYSA-N 322.368 2.901 0 40 DFAB CCONC(=O)Cn1c(C)c(Br)c2ccccc21 47304000 MHUJQRYVCILWAK-UHFFFAOYSA-N 311.179 2.780 0 40 DFAB Cn1cc(CNC(=O)C(c2ccccc2)c2ccccc2)cn1 27929244 BYNFHVHJONBUOS-UHFFFAOYSA-N 305.381 2.868 0 40 DFAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)c(N)c1 22051753 ZFYXFLNRFYNYMY-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB C[C@H](O)c1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1 12524846 FALYNSKZRMYUQD-KGLIPLIRSA-N 323.396 2.967 0 40 DFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1n[nH]c2ccccc12 24816995 KKIGAHOEIVATOS-CQSZACIVSA-N 320.396 2.819 0 40 DFAB Cc1ccc(Cc2cnc(NC(=O)NCCCO)s2)cc1F 43627309 VBUDRTYJXVHQKR-UHFFFAOYSA-N 323.393 2.685 0 40 DFAB O=C(NCc1ccccc1OC1CCCC1)N1CCOCC1 56330794 BTBJZLYBQKGYNX-UHFFFAOYSA-N 304.390 2.550 0 40 DFAB O=C(CCc1cccs1)NC[C@@H]1COc2ccccc2O1 25984890 XSTIFTMOLHJKHN-GFCCVEGCSA-N 303.383 2.637 0 40 DFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCO)o1 43837659 NETYJHJAEKZRHP-UHFFFAOYSA-N 312.325 2.590 0 40 DFAB O=C(NCCn1ccnc1)C1c2ccccc2Oc2ccccc21 43947520 GZGHDZUTDHBBIE-UHFFFAOYSA-N 319.364 2.937 0 40 DFAB COc1ccc(CSc2nc(=O)n3cccc(C)c3n2)cc1 3134598 MCGQWRBHKLIYJD-UHFFFAOYSA-N 313.382 2.699 0 40 DFAB O=C(NCc1ccc(Cl)s1)N[C@@H]1c2ccccc2C[C@@H]1O 57005016 KMYQXKMNDBZSFW-GXTWGEPZSA-N 322.817 2.859 0 40 DFAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 37794965 AMRQBJHVVNWIGO-XROYCOCOSA-N 301.264 2.603 0 40 DFAB C[C@H](Cc1ccsc1)NC(=O)N[C@@H](CO)Cc1ccccc1 57855348 NMGIJHVEIVGHMG-CZUORRHYSA-N 318.442 2.582 0 40 DFAB Cc1ccc([C@@H](CNC(=O)NC2CC2)N2CCCCC2)cc1 36075777 MZAHWHBFCRZUIZ-QGZVFWFLSA-N 301.434 2.984 0 40 DFAB COC(=O)c1ccc(NC(=O)NCCc2cccs2)cc1 48006045 VCKNAIZJEWEVJV-UHFFFAOYSA-N 304.371 2.899 0 40 DFAB CCn1nc(C)c(C(=O)Nc2ccc(C(=O)OC)cc2C)c1C 58356981 DEQYMZGAZFOTGG-UHFFFAOYSA-N 315.373 2.867 0 40 DFAB O=C(NCCn1ccnc1)c1ccc(Sc2ccccn2)cc1 58305451 MTBFTXAKILEDMV-UHFFFAOYSA-N 324.409 2.859 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)C1=Cc2ccccc2OC1 12822941 NNPVWQQDSJQFBR-UHFFFAOYSA-N 319.364 2.698 0 40 DFAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 12985449 XEDHYOICHLFJIU-OAHLLOKOSA-N 320.396 2.996 0 40 DFAB C[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccco1 8249541 XVKHAQIQMOWFNM-MRVPVSSYSA-N 324.431 2.675 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2nc3ccccc3n2C)c1 70040703 AQXBOECSIRVZJC-HNNXBMFYSA-N 309.417 2.743 0 40 DFAB CCCCNC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 4159805 HCGOOOMNEYRZPN-UHFFFAOYSA-N 324.380 2.742 0 40 DFAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccnc3)CC2)C1 5045751 OLLFBOBKVYMTLG-OAHLLOKOSA-N 301.434 2.552 0 40 DFAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(N)=O 69535928 VHORGYFQRDONEW-DOMZBBRYSA-N 314.410 2.510 0 40 DFAB Cc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2 69631033 CCZOOUATIPRPMB-UHFFFAOYSA-N 303.369 2.805 0 40 DFAB C[C@H]1CCc2c(C(=O)NCCNc3cnccn3)csc2C1 65414260 QWLLFWYWWVMVDE-NSHDSACASA-N 316.430 2.505 0 40 DFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(OC)cc1 5391422 CPDIKIUKAHHYEN-NSHDSACASA-N 317.341 2.982 0 40 DFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCCOc1ccccc1 14114280 UHZSHRMUZSRBIM-KRWDZBQOSA-N 324.380 2.619 0 40 DFAB CN(CC(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 65640994 ZCZCNEGUULXABN-UHFFFAOYSA-N 301.243 2.850 0 40 DFAB Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)no1 66688257 JGSCXSHLAUSYPS-AWEZNQCLSA-N 324.739 2.989 0 40 DFAB Cc1ccc([C@H](O)CS(=O)(=O)Cc2c(C)noc2C)cc1C 67647441 UTBLHCUQKUCVIN-MRXNPFEDSA-N 323.414 2.557 0 40 DFAB COC(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccn1 80445330 LBTNSDPATMVVKB-SNVBAGLBSA-N 316.382 2.689 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1 7447074 VMLXVFSRSVSBTG-CQSZACIVSA-N 322.430 2.713 0 40 DFAB CCNC(=O)NC(=O)[C@@H](Sc1ccccn1)c1ccccc1 7699921 RDOLDTNJMIRXLW-AWEZNQCLSA-N 315.398 2.761 0 40 DFAB O=C(CSCCO)Nc1ccc(Br)c(Cl)c1 9233781 XMSSUDDUMDHJEX-UHFFFAOYSA-N 324.627 2.767 0 40 DFAB CC[C@H](CO)N1CCN(Cc2cc3ccccc3s2)CC1 93739860 LIAVKLZOIOQZDD-OAHLLOKOSA-N 304.459 2.790 0 40 DFAB Cc1ccnc(NC(=O)CCCn2cnc3ccccc3c2=O)c1 9469737 CDGNVPGACZKWRD-UHFFFAOYSA-N 322.368 2.519 0 40 DFAB CCn1c(=N)n(CC(=O)c2ccc(OC)cc2)c2ccccc21 19847963 RADMSYNXHJFMQS-UHFFFAOYSA-N 309.369 2.834 0 40 DFAB C[C@H]1CN(Cn2ncnc2-c2ccccc2Cl)C[C@@H](C)O1 71817103 QIGFCLXBCOWYJH-TXEJJXNPSA-N 306.797 2.665 0 40 DFAB O=C(NC[C@H](O)c1ccco1)[C@H]1CCCC[C@@H]1C(F)(F)F 89794422 MYZLBOZEQOELMY-DCAQKATOSA-N 305.296 2.798 0 40 DFAB Cc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1 72279203 BBZPHEBYBDCLEQ-SECBINFHSA-N 313.283 2.571 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)s2)C1 97017412 HJDVLXGCZQIBJS-GFCCVEGCSA-N 316.382 2.747 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)c2ccccc21 97114407 PGHMPRQJGSVNSC-LBPRGKRZSA-N 305.403 2.513 0 40 DFAB CC(C)N(C(=O)CN1CCN2CCCC[C@@H]2C1)c1ccccc1 89869694 RTOGZMGIYLIWPF-GOSISDBHSA-N 315.461 2.598 0 40 DFAB CCS[C@H]1CC[C@H](NC(=O)NCCCn2cc(C)cn2)C1 76086725 ZZZYPNCCTKJDGX-KBPBESRZSA-N 310.467 2.555 0 40 DFAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@H](C)C1CCOCC1 95416783 FDMRJSFAAVUTGG-CJNGLKHVSA-N 318.417 2.851 0 40 DFAB O=C(NCCc1cccnc1)N[C@@H]1CCOC2(CCCCC2)C1 95426868 SWCQGLWCHJGLDH-MRXNPFEDSA-N 317.433 2.805 0 40 DFAB CCCCCN(CC(N)=O)C(=O)c1csc(-c2ccco2)n1 95468531 OJZLNDOUYSWNHN-UHFFFAOYSA-N 321.402 2.521 0 40 DFAB CN(C)c1ncncc1NC(=O)[C@@H]1SCCc2ccccc21 95427950 ZZNGHLLOXLDOQT-CQSZACIVSA-N 314.414 2.512 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)Cc1ccco1 95441437 HSJLXIJMSCHFAI-UHFFFAOYSA-N 322.368 2.729 0 40 DFAB CCOc1ccccc1C(=O)N[C@H](C)C[C@H](O)c1ccco1 84810981 BSQWRCLTAZOFGU-OCCSQVGLSA-N 303.358 2.920 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](C(=O)O)C1 95947073 ULNUFFSCYJNOPO-GFCCVEGCSA-N 316.332 2.619 0 40 DFAB CC1(C)C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C(C)(C)O1 95993895 WALPWPVKJRIVEU-CQSZACIVSA-N 305.374 2.534 0 40 DFAB CO[C@@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)C(C)(C)C 95984040 VIHFPXIFZILRBJ-KGLIPLIRSA-N 322.453 2.934 0 40 DFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2cc[nH]c2c1 95953316 DEMAESIGLTUEEA-QGZVFWFLSA-N 320.348 2.820 0 40 DFAB CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](O)C1 74539693 POGOPAHXQRKOFY-DLBZAZTESA-N 304.434 2.954 0 40 DFAB CN(C)Cc1cc(CNC(=O)c2cccc(F)c2)ccc1F 78735149 GVIXGXOGRLAQFD-UHFFFAOYSA-N 304.340 2.956 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[C@@H](OCC(C)C)C1 89526335 QKNSCTDNLVEVDN-BXUZGUMPSA-N 309.410 2.809 0 40 DFAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC)C1=O)OCO2 409071337 NTUICQAYGPHMKO-AWNIVKPZSA-N 321.354 2.870 0 40 DFAB COc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 64799476 MJFOURABGNJHQB-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB COc1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1 72331119 OOTLTZRNFKTVHX-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB COc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 36247351 LOKSFHLOFLMHFH-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB CC(C)Nc1ccc(C(=O)O)cc1I 39951754 LJUWLIQVMGROKG-UHFFFAOYSA-N 305.115 2.810 0 40 DFAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225605824 YIEVSQGIQXTNQS-MRXNPFEDSA-N 309.362 2.540 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c(C)n1 225882300 ASTDPAJPKNSNKY-MRXNPFEDSA-N 310.394 2.559 0 40 DFAB Cc1cc(F)ccc1CCNC(=O)NCCCc1cn[nH]c1C 86988414 NNKYAIXQZWNNAQ-UHFFFAOYSA-N 318.396 2.640 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC[C@H](Oc2cnccn2)C1 225471892 ANFBRAQJVYLHHJ-JTQLQIEISA-N 323.805 2.875 0 40 DFAB C[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)n1ccnc1 81740333 XZGDKSFVUBGURK-GFCCVEGCSA-N 309.329 2.665 0 40 DFAB COC(=O)c1cccc(NC(=S)NCc2ccncc2)c1C 225333546 TWHMQYISACYVLP-UHFFFAOYSA-N 315.398 2.663 0 40 DFAB Cc1nocc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 583651555 OGYLVSTXPDNRBK-UHFFFAOYSA-N 308.403 2.759 0 40 DFAB CN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 96229735 VSRBLCRLZHWRPB-QGZVFWFLSA-N 301.390 2.695 0 40 DFAB COc1ccc(CCNC(=O)c2oc(C)nc2C)c(Cl)c1 96473130 IUTKJMWBGFROIB-UHFFFAOYSA-N 308.765 2.926 0 40 DFAB CC(C)(C)c1ccccc1S(=O)(=O)NCc1cscn1 96427845 VODAKWROJGVYFD-UHFFFAOYSA-N 310.444 2.919 0 40 DFAB Cc1csc(CN(C)C(=O)c2cc(F)c(F)c(O)c2F)n1 97236993 JOJVHVPDKJCPLX-UHFFFAOYSA-N 316.304 2.847 0 40 DFAB C[C@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1 92074207 ICAUXLUXNGIDRX-SUMWQHHRSA-N 321.392 2.901 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)[C@H]3CCC(=O)NC3)c2)c1 96403255 CSHFIADMJDMVTE-SFHVURJKSA-N 322.408 2.804 0 40 DFAB CC[C@@H](NS(=O)(=O)C1CCOCC1)c1cc(F)ccc1F 96419803 CYZVMHPKPIJMLF-CQSZACIVSA-N 319.373 2.514 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)N[C@H](C)CS(C)(=O)=O 96491625 PQEOORLGBPUYKD-ZIAGYGMSSA-N 305.443 2.794 0 40 DFAB CSC(C)(C)CNC(=O)NCCCn1cnc2ccccc21 96437439 LXSBIPAZUYRPLD-UHFFFAOYSA-N 320.462 2.867 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc[nH]3)C2)c1 96459413 UDYLOBOTPVDIGH-LBPRGKRZSA-N 300.358 2.662 0 40 DFAB CN(C)C(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 96051606 QCKXPBSFVSEXFW-HNNXBMFYSA-N 305.422 2.638 0 40 DFAB COc1ccc(CS(=O)(=O)Cc2ccc(OC)cc2)cc1 91366114 QGPBWJNCWDJIBH-UHFFFAOYSA-N 306.383 2.819 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@@H](c1cnn(C)c1)N(C)C 96477905 LTANNJCWTFQUNI-YOEHRIQHSA-N 316.449 2.691 0 40 DFAB Cc1cc(N2CCCCC2)nc(CNC(=O)Cc2ccccc2)n1 96120812 NNKLWUHMJJMNTR-UHFFFAOYSA-N 324.428 2.634 0 40 DFAB 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C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CC1 95990808 UHVBVZGORISKBS-CYBMUJFWSA-N 301.434 2.594 0 40 DFAB CCn1c(SC[C@H]2CCOC2)nc2ccc(F)cc2c1=O 95975463 VATNMNCRUJVCLR-JTQLQIEISA-N 308.378 2.684 0 40 DFAB COc1ccc(CN[C@@H](Cn2cncn2)c2ccccc2)cc1O 77404692 MGQJBNDXESCDQL-INIZCTEOSA-N 324.384 2.523 0 40 DFAB Cc1c(F)cccc1S(=O)(=O)Nc1cccc(CC(=O)O)c1 78938724 ZDWNVPGXAOEWEY-UHFFFAOYSA-N 323.345 2.562 0 40 DFAB CCCCN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216587 RNROYLRIJJUMSG-QGZVFWFLSA-N 302.466 2.770 0 40 DFAB NC[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 218577276 CMQWECWJHSUHFY-OWCLPIDISA-N 321.829 2.855 0 40 DFAB COc1ccc(Oc2cc(C)nc(C3CN(C(C)=O)C3)n2)cc1 72387133 AQMPPIVBZMFXHY-UHFFFAOYSA-N 313.357 2.532 0 40 DFAB CCOC(=O)c1conc1[C@H](O)c1ccc(C(F)(F)F)cc1 504040586 DKWQKQCZNNPVIL-GFCCVEGCSA-N 315.247 2.952 0 40 DFAB Cc1cc(C)n(Cc2nn3c(-c4ccsc4)nnc3s2)n1 71280866 UAXGBZGSYKCCRV-UHFFFAOYSA-N 316.415 2.776 0 40 DFAB CC[C@H](C(=O)O)N(C)c1ccc(I)cc1 224990527 TUOICQFBACGQHX-SNVBAGLBSA-N 319.142 2.591 0 40 DFAB CCc1nn2c(c1-c1ccc(F)cc1)NC=C1C(=O)NN=CC=C12 40396845 NZZJVELMNHPDAM-UHFFFAOYSA-N 323.331 2.518 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Cl)s3)C2)nn1 225425871 PYABXGHCEAIYEX-SNVBAGLBSA-N 323.805 2.793 0 40 DFAB COc1ccc(C(=O)N2c3cc(N)ccc3C[C@@H]2C)cc1OC 225319147 DJONUEHPRROIBX-NSHDSACASA-N 312.369 2.877 0 40 DFAB COc1cc(C)c(C(=O)Nc2cccc(C(=O)O)c2)cc1OC 41126066 FWWXHLUGHVBJLB-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 192679686 HUJUGHHRJPRHHX-UHFFFAOYSA-N 312.369 2.730 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)N[C@H]3C[C@@H](C)OC3=O)cc2F)c1 195531274 JHKIAAPKNKOIOS-XUJVJEKNSA-N 317.364 2.674 0 40 DFAB O=C(NCc1ccc2c(c1)OCCCO2)c1cc(F)ccc1O 80023510 FMTGWZVOKTWEOR-UHFFFAOYSA-N 317.316 2.623 0 40 DFAB O=C(c1ccccc1F)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 97953783 SDBNOXVGXBBXQQ-ZACQAIPSSA-N 319.376 2.624 0 40 DFAB COc1cccc2c1CCN(C(=O)NCc1ncc(C)s1)C2 96501279 FKMGNIHMNMLPLI-UHFFFAOYSA-N 317.414 2.728 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2cc3ccccc3n2C)cc1 95479026 VQZBJRVSVFEMHX-UHFFFAOYSA-N 322.364 2.800 0 40 DFAB CN(C(=O)c1ccc[nH]1)C1CCC(NC(=O)OC(C)(C)C)CC1 96454631 SZQGPFQDOZPZDK-UHFFFAOYSA-N 321.421 2.923 0 40 DFAB CCSCC[C@H](C)NC(=O)Nc1cnn(-c2ccccn2)c1 96435185 AXGSBJYSLQBMPE-LBPRGKRZSA-N 319.434 2.921 0 40 DFAB Cc1cc(NC(=O)c2cccc(Nc3ncccn3)c2)nn1C 95472379 SPTMRDXOYCJFIP-UHFFFAOYSA-N 308.345 2.514 0 40 DFAB COc1cccc([C@H]2C[C@@H](C)CN2c2ccc3nncn3n2)c1 578835145 YETFDDYMLQKQGQ-IUODEOHRSA-N 309.373 2.720 0 40 DFAB c1cncc(O[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 96218649 WQMSIRWAGYLTBG-DOTOQJQBSA-N 316.426 2.956 0 40 DFAB CNC(=O)[C@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 97236360 YFHNQNVPRRCZDY-OAHLLOKOSA-N 300.358 2.782 0 40 DFAB Fc1ccccc1CN1CCOC[C@H](Oc2cccnc2)C1 96113208 OHPHWEWWMURTGD-MRXNPFEDSA-N 302.349 2.501 0 40 DFAB biogenic,in-vitro CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cccs2)s1 257294139 QSRVGWLIDPWIAD-VIFPVBQESA-N 321.427 2.542 0 40 DFAB c1ccc(C[C@H]2CCC3(CCN(c4ncccn4)CC3)CO2)nc1 257301444 RYLFYKPGURSQAU-QGZVFWFLSA-N 324.428 2.880 0 40 DFAB CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)ccn1 257338368 YXBNDWUDTZHQLV-OZSKJFCKSA-N 322.412 2.920 0 40 DFAB CO[C@@H]1CCN(c2ccc(C(=O)Nc3nccs3)cc2)C1 253403900 QQKGOKYZYJVKTA-CYBMUJFWSA-N 303.387 2.621 0 40 DFAB CC1(C(=O)NC2CCCCC2)CCN(c2ncccn2)CC1 257256042 KJWCLFMCNRFEAW-UHFFFAOYSA-N 302.422 2.532 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2cccnc2)C1 257340429 ZGBSFZJIYAFXPN-INIZCTEOSA-N 313.401 2.710 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@@H](c4[nH]ncc4C)C3)c2n1 257248138 JCGINDZFLJVNDW-OAHLLOKOSA-N 324.432 2.757 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(c3ccccn3)C2)n1 257274281 NKIQSKHZDWHIAS-AWEZNQCLSA-N 320.400 2.954 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 257271125 MWYSXMYUDXODIN-LBPRGKRZSA-N 313.405 2.619 0 40 DFAB CN1CCCC[C@H]1CCn1nc(-c2ccc(F)cc2)oc1=O 295031987 DFFRTJAJKASXKX-AWEZNQCLSA-N 305.353 2.517 0 40 DFAB CCn1cc(-c2noc([C@@H](C)NC(=O)OC(C)(C)C)n2)c(C)n1 575410826 KSUSLGLOSNHYMR-SNVBAGLBSA-N 321.381 2.847 0 40 DFAB O=C(Cn1ccccc1=O)Nc1ccc2c3c(cccc13)CC2 53721879 JVONOUYQEKBWOK-UHFFFAOYSA-N 304.349 2.739 0 40 DFAB CNC(=O)c1ccc(NCc2nc(C3CC3)no2)cc1Cl 55892509 VBVVCKMILWFLNR-UHFFFAOYSA-N 306.753 2.572 0 40 DFAB CCN(C(=O)CNc1cccc(C(N)=O)c1C)c1ccccc1 55839838 DNGASECKDQHGLD-UHFFFAOYSA-N 311.385 2.559 0 40 DFAB O=C(NCc1cccc2c1OCO2)c1coc(Br)c1 95954109 FJOTVMJMZYSEAW-UHFFFAOYSA-N 324.130 2.701 0 40 DFAB O=C1OC(=C(Br)Br)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 5352099 VCHBRRPIBSDNIH-XZBKPIIZSA-N 319.980 2.940 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccn3)cc2)n1 12528332 RDZKHUUMCRDIRI-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)NCc3ccccn3)n2)cc1 17167941 ZTPJXEDGIFGOJQ-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19592456 LBQHZFSXYSDJJK-CQSZACIVSA-N 321.348 2.679 0 40 DFAB CC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226351348 ZRYPUDVKZYDUQD-UHFFFAOYSA-N 318.354 2.786 0 40 DFAB C[C@@H]1Cc2ccc3c(c2[C@H](O)C1)C(=O)c1cccc(O)c1[C@@H]3O 31158807 FDVOVSCQDWKKHH-QKYSMQOASA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(F)cc1 12295117 ZAWZADDTYWZCBA-ZBEGNZNMSA-N 301.317 2.670 0 40 DFAB C[C@@H](CC(=O)Nc1nc(CC(=O)O)cs1)c1ccccc1 13404706 PRJJRNJEQDAQJC-JTQLQIEISA-N 304.371 2.903 0 40 DFAB CNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832087 YEPPHZHWAXOZQT-JTQLQIEISA-N 301.217 2.951 0 40 DFAB CCCC(=O)N(c1cc(C)cc(C)c1)[C@@H]1C=CS(=O)(=O)C1 4165616 ULIPEDCQIVCLDB-CQSZACIVSA-N 307.415 2.747 0 40 DFAB Cc1ccc(Cc2n[nH]c(N(C)c3ccccc3)nc2=O)cc1 5154471 PHJBXNGURXVYPZ-UHFFFAOYSA-N 306.369 2.832 0 40 DFAB CCOC(=O)CCC(=O)N1CCS[C@@H](c2ccco2)CC1 207006327 UEFYAESUGFPTEY-CYBMUJFWSA-N 311.403 2.630 0 40 DFAB C[C@@H](NC(=O)CCCNc1ncccn1)c1ccccc1F 40130392 QJKDBYAATMEZMK-GFCCVEGCSA-N 302.353 2.685 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)CC[C@@H]3CCCO3)cn2)n1 31215865 IONLDSWABLPCJA-HNNXBMFYSA-N 314.389 2.782 0 40 DFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1 51799 WQABQPXDIQJIFM-QGZVFWFLSA-N 315.344 2.616 0 40 DFAB Cc1sc(-c2ccccc2F)nc1C(=O)N1CCN(C)CC1 20403480 MCTBMTWHACOVGI-UHFFFAOYSA-N 319.405 2.645 0 40 DFAB O=C(CCc1cc(F)ccc1F)N[C@H]1c2ccccc2C[C@H]1O 81703262 UOQNRDYXAHBVCP-AEFFLSMTSA-N 317.335 2.672 0 40 DFAB O=C(Nc1cccc(Cn2cccn2)c1)[C@@H]1Cc2ccccc2O1 31968534 NLIGOGZWNOBZGI-SFHVURJKSA-N 319.364 2.874 0 40 DFAB CC(C)Sc1nnc2c3ccccc3n(CC(=O)O)c2n1 101143890 KSZPGPSZOXPZTA-UHFFFAOYSA-N 302.359 2.565 0 40 DFAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 212130 IELRCRVJYMJVIW-MRXNPFEDSA-N 302.418 2.530 0 40 DFAB COC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 20616573 LLJNGSJHXQIHMF-WPRPVWTQSA-N 315.251 2.923 0 40 DFAB CS(=O)(=O)Nc1ccccc1C(=O)NCCC1=CCCCC1 6415946 IXLVKVXMMHMGRD-UHFFFAOYSA-N 322.430 2.678 0 40 DFAB Cc1noc(C)c1CN(C)Cc1nc(Cc2ccccc2)no1 46060324 JOLWEKHPIQOVBH-UHFFFAOYSA-N 312.373 2.897 0 40 DFAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 52198809 PMQJHIMVXQDALA-RISCZKNCSA-N 314.351 2.704 0 40 DFAB Cc1cc(Cl)cc2nc(SCCCS(N)(=O)=O)oc12 71910025 MMPJPQXYTKDJNT-UHFFFAOYSA-N 320.823 2.560 0 40 DFAB CCn1c(NC(=O)CCN2CCSC2=O)nc2ccccc21 32784645 CQKZQPLUFNMMJQ-UHFFFAOYSA-N 318.402 2.554 0 40 DFAB Cc1ccsc1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 71908191 BFSHPYJRKPHEMZ-AWEZNQCLSA-N 315.442 2.971 0 40 DFAB CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCC 8326281 VPDCYZVBLKGEGF-LBPRGKRZSA-N 301.814 2.998 0 40 DFAB Cc1ccc2nc(COC(=O)c3ccc4c(c3)OCO4)cn2c1 8425168 KCUQTYZZAUTQHG-UHFFFAOYSA-N 310.309 2.728 0 40 DFAB CCOC(=O)CCc1c(C)c2ccc(OCC)cc2oc1=O 489194 FJNMKUGYSCNGPU-UHFFFAOYSA-N 304.342 2.996 0 40 DFAB biogenic CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355206 ORHJDSIVSXDPLJ-DETPVDSQSA-N 306.381 2.650 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccc(C=O)cc1)c1ccccc1 2649044 WZOAHMFGBJEONM-CYBMUJFWSA-N 311.337 2.533 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57354996 QBKOIAWYPUCRRG-CJNGLKHVSA-N 306.381 2.604 0 40 DFAB C[C@@H]1CC=CC[C@H]1COC(=O)c1nn(C)c(=O)c2ccccc12 32964008 MNPLKXGHPUGUHW-OLZOCXBDSA-N 312.369 2.693 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3Cl)nc2n1 2652561 RFTCWRLCJZDCPI-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB CSCC[C@@H]1NC(=S)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C1=O 107337008 DNMMSHUNZTXJCT-CYDGBPFRSA-N 312.504 2.651 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2F)c1 41772675 LRYSNWCUFCLOLC-ZDUSSCGKSA-N 315.344 2.996 0 40 DFAB O=c1cc(-c2ccc(F)cc2)ncn1CCN1CCCCC1 22604983 MHQHAIBCTMGEKQ-UHFFFAOYSA-N 301.365 2.535 0 40 DFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1 12259322 DYVFYUQSBYFRGT-UHFFFAOYSA-N 322.411 2.540 0 40 DFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1 100143792 YWRRHWBUYLHUFH-BXUZGUMPSA-N 306.369 2.754 0 40 DFAB O=C(C1CCCC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 23879728 OVZNATRANUMAIQ-OAHLLOKOSA-N 316.449 2.901 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)o1 25078704 NTMXPCBAVNESIX-CYBMUJFWSA-N 310.357 2.862 0 40 DFAB C[C@H]1CO[C@H](C)CN1Cn1ncnc1-c1ccccc1Cl 106827811 JHIXPDFCSIBYHS-NWDGAFQWSA-N 306.797 2.665 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC)cn1 12545524 VKNRCHITKLISPV-NSHDSACASA-N 301.346 2.538 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 57450796 DESVATLLMAGJEK-ZDUSSCGKSA-N 302.374 2.923 0 40 DFAB CCn1c(=O)c2ccccc2n2c(COc3ccccc3)nnc12 26776755 SEBGQKCEKDJOOU-UHFFFAOYSA-N 320.352 2.643 0 40 DFAB O=C(C1CCN(c2ccccn2)CC1)N1CCc2ccccc2C1 44407184 MSDSHBVCYWSCQC-UHFFFAOYSA-N 321.424 2.883 0 40 DFAB CCOc1c(Cl)cc(C(=O)NC[C@H]2CCCO2)cc1OC 27393249 SCQQMWCBDUHNJI-LLVKDONJSA-N 313.781 2.656 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C(C)(C)CO1 36075998 UZWVLXXXKVREDJ-MRVPVSSYSA-N 309.840 2.590 0 40 DFAB Cc1ccccc1-n1cnnc1SCCn1ccccc1=O 58209914 KTORWLZWSIEVJM-UHFFFAOYSA-N 312.398 2.530 0 40 DFAB C[C@H](O)c1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1 12524844 FALYNSKZRMYUQD-KBPBESRZSA-N 323.396 2.967 0 40 DFAB O=C(c1cccc[n+]1[O-])N(Cc1c(F)cccc1Cl)C1CC1 45061723 LBXSHKVYPHJIOA-UHFFFAOYSA-N 320.751 2.917 0 40 DFAB CCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 2273933 VKRCCXYLSZWAHX-UHFFFAOYSA-N 319.412 2.834 0 40 DFAB CCN(CC)CCn1cc(NC(=O)c2ccc(F)c(F)c2)cn1 58401469 AJSAHVUOJHQWNJ-UHFFFAOYSA-N 322.359 2.755 0 40 DFAB CC[C@](C)(NC(=O)c1csc(-c2ccc(C)o2)n1)C(=O)OC 58407718 HEEAZFPZFZDUPL-HNNXBMFYSA-N 322.386 2.783 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)[C@H](C)c1ccc(F)cc1 48281918 DYPRVMHFHUCMNU-VXGBXAGGSA-N 318.348 2.757 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)n1nnc(-c2ccc(Cl)cc2)n1 48333560 YEQBZQJKWBSZNL-QMMMGPOBSA-N 316.752 2.863 0 40 DFAB CC(=O)NCC1CCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 48352770 SIJGANHZFBTQDG-CVEARBPZSA-N 306.450 2.600 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1ccc2ccccc2c1O 3438834 KMUAYXHBCQNAOT-NSHDSACASA-N 301.342 2.617 0 40 DFAB CC(C)C(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1 69453001 LGNLQUWRMRFUPF-UHFFFAOYSA-N 323.462 2.977 0 40 DFAB CC(C)[C@@H](NC(=O)COc1ccccc1)c1nnc2ccccn12 69534198 FDTSWEXVQAPCLW-QGZVFWFLSA-N 324.384 2.622 0 40 DFAB O=C(NCCCn1ccnc1)[C@@H]1Cc2c(ccc3ccccc23)O1 4024365 WJIJSOPYKDTGLU-SFHVURJKSA-N 321.380 2.546 0 40 DFAB COc1ccccc1CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1 69564195 ACUXNFWVCBDSGT-MRXNPFEDSA-N 314.429 2.696 0 40 DFAB COC(=O)c1ccc2c(=O)[nH]c(-c3cc(F)cc(F)c3)nc2c1 69578871 VUXJVVQVOAOSMZ-UHFFFAOYSA-N 316.263 2.655 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(F)cc1 6064187 OGPZVOFHDBRFRK-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccncc1 8579948 FPIOLRWPCKPVKQ-UHFFFAOYSA-N 310.744 2.975 0 40 DFAB O=C(CN1CCCCCC1=O)N1CC=C(c2ccccc2)CC1 65588150 FSIQVGDBNYNWKI-UHFFFAOYSA-N 312.413 2.705 0 40 DFAB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)NCc1ccco1 4563582 YHBQCEGLSCJLRO-LLVKDONJSA-N 313.309 2.888 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CC2)c(C)c1 71185181 WLUUAERTNUFLEP-AWEZNQCLSA-N 304.415 2.553 0 40 DFAB C[C@@H]1CCCCN1C(=O)CN1CCO[C@H](c2cccc(F)c2)C1 67227880 UBOHDJIZTQDQDW-PBHICJAKSA-N 320.408 2.600 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1ccc(F)cc1 67620380 RTCYADINJYHOMB-MRXNPFEDSA-N 320.408 2.618 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)CCNC(=O)c2ccco2)c1 15693153 PZVVFKLQDWQVHX-AWEZNQCLSA-N 314.385 2.894 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H](C)O1 7308105 BWENIGARWYEFKL-RKDXNWHRSA-N 324.229 2.791 0 40 DFAB CCc1nn(C)cc1NC(=O)N1CCc2c(F)ccc(F)c2C1 91197122 VNSUSPFENMCYLY-UHFFFAOYSA-N 320.343 2.851 0 40 DFAB COc1ccc([C@@H](O)CN[C@H](C)c2cc(O)ccc2OC)cc1 96006893 QBYQBODZMRPFGN-PXAZEXFGSA-N 317.385 2.794 0 40 DFAB Cc1nc([C@H]2CN(C(=O)c3cccc4ccccc34)CCO2)no1 96000736 JYMLXCPKIJQKGY-MRXNPFEDSA-N 323.352 2.745 0 40 DFAB C[C@@H](NC(=O)CCc1ccco1)c1ccc(-n2cncn2)cc1 9478380 WYMQROGNRKUQGJ-CYBMUJFWSA-N 310.357 2.670 0 40 DFAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(=O)O 9486031 GVMCUYZEDVZIBI-UHFFFAOYSA-N 302.355 2.831 0 40 DFAB C/C(=C\C(=O)Nc1ccc(-n2cncn2)nc1)c1ccc(F)cc1 96313725 RJBJEOWYLJPBFE-XYOKQWHBSA-N 323.331 2.843 0 40 DFAB O=C(CCc1ccc(Cl)cc1)NCc1nnc2ccccn12 9530746 AUFUPZPIJDASDL-UHFFFAOYSA-N 314.776 2.632 0 40 DFAB Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)c1 71858815 WYELNZQMPMSZRG-LHSJRXKWSA-N 307.459 2.999 0 40 DFAB O=C(OCCOc1ccccc1Cl)C1(O)CCSCC1 89814504 CRJGKEAMVRELMB-UHFFFAOYSA-N 316.806 2.520 0 40 DFAB C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](c2ccccc2)CO1 89930151 XYRTWGZTCYRCJJ-LRDDRELGSA-N 311.385 2.501 0 40 DFAB OC[C@@H]1CCCN1c1cc(NCc2cc3ccccc3o2)ncn1 72276128 ZGBLVJWAXPZYOL-AWEZNQCLSA-N 324.384 2.796 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)on1 72275112 NRVKUEXNUSMYPR-JTQLQIEISA-N 314.794 2.817 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)no1 72274121 SZVPCXDICNHFHF-UONOGXRCSA-N 316.405 2.791 0 40 DFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccsc1 72288163 LAAVUMRQEQIUBZ-UHFFFAOYSA-N 305.355 2.977 0 40 DFAB CC(C)OC[C@H](O)CNc1ccc(F)c(Br)c1 97139773 NDAQMIXMZBHAJA-SNVBAGLBSA-N 306.175 2.786 0 40 DFAB CN(C)CCCCN(C)C(=O)Nc1cccc(-c2nnco2)c1 72305867 AQPADJAVAGQJFL-UHFFFAOYSA-N 317.393 2.542 0 40 DFAB COc1ccc(Nc2nc(C(=O)Nc3cn[nH]c3)cs2)cc1 72304053 HECSDBQVNZPQEI-UHFFFAOYSA-N 315.358 2.871 0 40 DFAB Cc1ccccc1NC(=O)CCN1CCCC[C@H]1C1OCCO1 72600421 BKTJNKWZUGIUHX-INIZCTEOSA-N 318.417 2.551 0 40 DFAB O=C(NCCCO[C@H]1CCOC1)C1(Cc2ccccc2)CCC1 84525699 SMORDMAXWZISPN-KRWDZBQOSA-N 317.429 2.711 0 40 DFAB CN1CCC(N(Cc2ccco2)C(=O)c2ccncc2F)CC1 78076452 MYXYXJGVDLWEQL-UHFFFAOYSA-N 317.364 2.550 0 40 DFAB O=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 95425234 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COCc1cnc2n1CCN(C(=O)CC1=CCCCC1)[C@H]2C 96109603 AKHXIIMAWVJAAU-ZDUSSCGKSA-N 303.406 2.823 0 40 DFAB CC[C@@H](C(=O)N(C)C[C@@H]1CCN(C)C1)c1ccc(OC)cc1 96492874 DSHAIKMWMGMPRU-RHSMWYFYSA-N 304.434 2.599 0 40 DFAB O=c1c2cc(Br)ccc2cnn1-c1ccccn1 95095810 VNQVWXCTBLDRIT-UHFFFAOYSA-N 302.131 2.543 0 40 DFAB Cn1cc(C(=O)N2CCCC[C@@H]3N[C@H](c4ccccc4)C[C@H]32)cn1 257213336 CHCYHAOFCXZXBS-OKZBNKHCSA-N 324.428 2.518 0 40 DFAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@@H](c2nccs2)C1 257238222 HKAVQPKFZNJUOM-SECBINFHSA-N 323.805 2.917 0 40 DFAB CCCn1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)n1 257286124 PKKDAZZYHOTCLE-GFCCVEGCSA-N 304.419 2.769 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2sc(C)nc2C)n1 257221926 DREHICNKRYDUJX-GFCCVEGCSA-N 304.419 2.779 0 40 DFAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccsc2)n1 257212434 CDKMWVFEENQTMP-OAHLLOKOSA-N 316.430 2.577 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCC[C@H](C)C2)n1 260732921 DAPBCIFGZOWVHG-VIFPVBQESA-N 313.858 2.673 0 40 DFAB Cn1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cn1 54709728 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CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)NC(=S)N1C 8829367 RLSOWXJJZQEWFN-CQSZACIVSA-N 304.415 2.773 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)NCCC2=CCCCC2)cn1 30009509 YVVQCUVNRLGFDC-ZDUSSCGKSA-N 303.406 2.897 0 40 DFAB O=C(c1cnn(-c2ccccc2)n1)N1CCCc2ccc(F)cc21 40117238 VQDJVRVDNMHJQC-UHFFFAOYSA-N 322.343 2.999 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccco2)cs1)C(C)C 40535884 SLTPKSXEWPHLLF-LBPRGKRZSA-N 307.375 2.502 0 40 DFAB Cc1cc(C)cc(NC(=O)N2CCC[C@H]2C(=O)NC(C)C)c1 1343093 YESKATDDFVZLJL-HNNXBMFYSA-N 303.406 2.824 0 40 DFAB CN(C)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 29375549 DWNSMHYRXJASHE-UHFFFAOYSA-N 306.369 2.763 0 40 DFAB Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1F 205091 KKRITRGZHRKHJY-UHFFFAOYSA-N 309.304 2.856 0 40 DFAB CS(=O)(=O)Oc1ccc2c(Cc3ccccc3)noc2c1 20731503 OKLJEONWZIZQNU-UHFFFAOYSA-N 303.339 2.757 0 40 DFAB Cc1ccc([C@@H](C)n2cc(C(=O)NCc3ccccn3)nn2)cc1 4458537 CKTUBRPTJQKUHE-CQSZACIVSA-N 321.384 2.521 0 40 DFAB COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2)cc1 6201066 LNUOJQCKRPXWLY-NSHDSACASA-N 316.332 2.650 0 40 DFAB CC(C)Cc1nc(COc2nnc(-c3ccccc3)o2)no1 71907981 ZDYJPVAWRSJTNC-UHFFFAOYSA-N 300.318 2.897 0 40 DFAB CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 32532517 LKRRTBAJVOCWHZ-UHFFFAOYSA-N 324.427 2.525 0 40 DFAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 32912978 SYWHEOJELFVJBZ-CYBMUJFWSA-N 321.396 2.938 0 40 DFAB O=C(NCCC(=O)N1CCSc2ccccc21)c1ccco1 32997875 MAUMWPIPWGVWOP-UHFFFAOYSA-N 316.382 2.538 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 2650293 GUJZHCWCGRURFY-UHFFFAOYSA-N 322.286 2.781 0 40 DFAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(C)c2)n1 9057530 RPEAXMCWVOHBEA-UHFFFAOYSA-N 323.805 2.771 0 40 DFAB FC(F)(F)CN1CCN(CCOc2ccc(Cl)cc2)CC1 54170751 NZECRRQBAHJPMQ-UHFFFAOYSA-N 322.758 2.899 0 40 DFAB NC(=O)CSc1nc(N)c2c(-c3ccccc3)csc2n1 12324575 KGHWBFXAHDICLS-UHFFFAOYSA-N 316.411 2.518 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cccnc2N2CCCC2)c1 23717405 JCYAZLQHXJZIOB-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB O=C(NCC(=O)N1CCCC1)c1ccccc1-c1ccccc1 54828705 QYYUDGJDDYYHQT-UHFFFAOYSA-N 308.381 2.706 0 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CC(C)N1CC[C@H](CNC(=O)CCc2cc(F)ccc2F)C1 58210305 MCRSBTAXOCJVQS-CYBMUJFWSA-N 310.388 2.744 0 40 DFAB CC(=O)Nc1nc2ccc(NC(=O)c3ccncc3)cc2s1 58202854 DAPFKWQTQPYAON-UHFFFAOYSA-N 312.354 2.902 0 40 DFAB Cn1cnnc1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 44911515 HIFDSZHFORPEKD-ZDUSSCGKSA-N 318.446 2.606 0 40 DFAB COC(=O)Nc1ccc(NC(=O)NCC[C@H]2CCCO2)cc1 58306797 KJWKLQLRAPSYNK-CYBMUJFWSA-N 307.350 2.556 0 40 DFAB COc1cc(C(=O)NO[C@H]2CCCCO2)cc(Cl)c1OC 58418406 YODOWWHMKOBUQV-LBPRGKRZSA-N 315.753 2.545 0 40 DFAB CC1CCC(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 36397300 PWOIGCLLRMDGTK-UHFFFAOYSA-N 321.465 2.609 0 40 DFAB Cc1cc(C)cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3284864 IFHXNRRCSMNBJU-UHFFFAOYSA-N 323.348 2.756 0 40 DFAB COc1ccc2c(CCNC(=O)COc3ccccc3)c[nH]c2c1 2357291 PSQDFUSRAJXNBD-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB Cc1cc(C)n(-c2ccc(C(C)C)cc2)c2nc(=O)[nH]c(=O)c1-2 37868919 IRYCSUZJXRBQHE-UHFFFAOYSA-N 309.369 2.766 0 40 DFAB O=C(CSc1nnc2ccccn12)N1CCCc2ccccc21 3334781 ZIKJSWPGKZOSOY-UHFFFAOYSA-N 324.409 2.801 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccccc1F 48287963 LLGPGYBNGMXDLK-UHFFFAOYSA-N 324.355 2.911 0 40 DFAB O=C1CCc2cc(C(=O)OC[C@@H]3CC3(Cl)Cl)ccc2N1 12886070 VOLKCBQUHCMEOF-JTQLQIEISA-N 314.168 2.922 0 40 DFAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NC1CC1 3444870 DQDQZAHCROIUST-UHFFFAOYSA-N 313.328 2.714 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1cccnc1 69217180 FJNCYMDRTAXCFI-UHFFFAOYSA-N 313.283 2.504 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)Nc1c(F)cccc1F 3510836 DGOBBVLLDBMITH-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB O=C(Nc1ccncc1)c1nnn(-c2cccc(F)c2)c1C1CC1 69351738 BNCNQARCSFZCED-UHFFFAOYSA-N 323.331 2.931 0 40 DFAB COC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)CCC(C)C)c1 8314221 MXAFLEFKPJUNLJ-HOCLYGCPSA-N 323.433 2.627 0 40 DFAB COC(=O)/C=C1/SCC(=O)N1Cc1c(F)cccc1Cl 49066324 LDLFJRHZRXMILH-LFYBBSHMSA-N 315.753 2.569 0 40 DFAB CCc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 13325079 YQVMZQDFFGRMEY-UHFFFAOYSA-N 324.428 2.994 0 40 DFAB O=C(CSc1nnc2n1CCCCC2)Nc1ccccc1 6098197 SZRNJPQOYMFRKM-UHFFFAOYSA-N 302.403 2.735 0 40 DFAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)noc1C)c1ccccc1 5197625 VKVCIRMGMQBOFJ-CYBMUJFWSA-N 316.357 2.890 0 40 DFAB C[C@@H](c1nc(-c2cccs2)no1)N1CCc2cncnc2C1 69665145 MRJHSQAXHBBJGK-JTQLQIEISA-N 313.386 2.707 0 40 DFAB Cc1csc(-c2cccc(NS(=O)(=O)c3cn[nH]c3)c2)n1 65552102 XWGYYDAEUFRGTC-UHFFFAOYSA-N 320.399 2.642 0 40 DFAB COc1c(CN[C@@H](c2nccn2C)C(C)C)c(C(C)C)nn1C 65554539 BQWNZYUOGOIMJF-OAHLLOKOSA-N 319.453 2.773 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(F)c1 69917553 GSGYWXSBNQRSGP-LBPRGKRZSA-N 303.337 2.508 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)Oc2ccccc2)n1 5717012 LQWHMTGCIINSOT-UHFFFAOYSA-N 306.343 2.860 0 40 DFAB C[C@@H](CC(N)=O)NCC(C)(C)c1ccccc1Br 90590782 ZEHUUFSESVLPDP-JTQLQIEISA-N 313.239 2.580 0 40 DFAB COc1ccc(NC(=O)CN2CCc3ccccc32)cc1OC 7600875 LZIFSBLUTINMIF-UHFFFAOYSA-N 312.369 2.705 0 40 DFAB CCCC(=O)N[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 80976696 XYQPZXBWIPIWOJ-LBPRGKRZSA-N 315.339 2.986 0 40 DFAB Cc1cc(COC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)no1 7837544 ONKMQFSKVOGMGB-UHFFFAOYSA-N 320.345 2.850 0 40 DFAB Cc1cnc(CCNS(=O)(=O)/C=C/c2ccccc2)s1 96428332 CQHFONGOUKKLCT-CSKARUKUSA-N 308.428 2.584 0 40 DFAB CCCCc1nc(C)c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)s1 71829577 HJJUISYYEAPEDE-CMPLNLGQSA-N 323.462 2.520 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)c1Cl 71819855 GQGHCVGXZMOTAH-CYBMUJFWSA-N 306.797 2.845 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCN(C2CC2)CC1 89813434 UCVGQQFAHKGZHM-CABCVRRESA-N 304.821 2.750 0 40 DFAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1CC=CC1 97014795 RJJJVQOCBZZLGH-YPMHNXCESA-N 324.421 2.582 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](CC(=O)O)c1cccs1 97017555 FMACTWHABQWVLM-LDYMZIIASA-N 322.386 2.789 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@H](CO)c2ccco2)CC1 97084546 BCNCQCRHCPSFNB-UONOGXRCSA-N 324.421 2.692 0 40 DFAB CCC1(CC)Oc2ccc(NC(=O)C[C@H]3COC(=O)C3)cc2O1 97105196 IJKSQOYNWSEVST-LLVKDONJSA-N 319.357 2.866 0 40 DFAB Cc1cscc1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F 97109433 OWIOHPMETBSUAH-UHFFFAOYSA-N 303.318 2.684 0 40 DFAB C[C@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)C1 97107921 HZUBVICXMRBIBD-JLJPHGGASA-N 302.418 2.866 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n[nH]1 76059917 JFTZKINSUBRSDQ-GFCCVEGCSA-N 302.378 2.849 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 76996626 FGYRWSIVXZXOSE-KBPBESRZSA-N 322.474 2.634 0 40 DFAB CCO[C@H](CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 95417149 RPGOSDWEKCBPJI-IAGOWNOFSA-N 301.386 2.805 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)sc1C)CC2 95400677 KPILRWCUVRWBQO-CABCVRRESA-N 323.458 2.757 0 40 DFAB CN(C)Cc1ccc(CNC(=O)C[C@H]2CSCCS2)cc1 95434806 PXOCBNXDSSEGSM-HNNXBMFYSA-N 324.515 2.603 0 40 DFAB CC[C@H](NC[C@H]1COc2ccccc2O1)c1c(C)nn(C)c1C 95419279 PQKZKEKOSMVYSG-GJZGRUSLSA-N 315.417 2.918 0 40 DFAB CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 73990573 DPWIAFPELHAMKP-GASCZTMLSA-N 320.433 2.668 0 40 DFAB O=C(Cc1ccc(F)c(Br)c1)NCc1ccc[nH]1 74125325 QZEYIOOUZKQCCO-UHFFFAOYSA-N 311.154 2.775 0 40 DFAB CCC1(CC)[C@@H](NCc2nnc3n2CCCCC3)C[C@H]1OC 95987742 NZZQCROMYYXCSB-UONOGXRCSA-N 306.454 2.688 0 40 DFAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)C1=COCC1 86039748 AUVRGQDQKXYDQQ-MRXNPFEDSA-N 312.369 2.941 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2=O)cc1 20495523 WNUFBUUFXVZMCX-UAGQMJEPSA-N 312.413 2.727 0 40 DFAB CC1CCC2(CC1)CC(=O)N(c1ccc(C(=O)O)cc1)C2=O 64875782 BWDSEEDEEVJAID-UHFFFAOYSA-N 301.342 2.845 0 40 DFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCOC(C)C 408703647 VTAZEGVCZOYACP-INIZCTEOSA-N 309.406 2.784 0 40 DFAB CC(C)[C@H](C(=O)NC[C@H](C)c1ccsc1)N1CCCC1=O 73370972 BQIPPIDSRFRYCV-SWLSCSKDSA-N 308.447 2.615 0 40 DFAB CC(C)NC(=S)Nc1cc(C(=O)O)ccc1Br 216928600 XQDYNDYWHQTOIL-UHFFFAOYSA-N 317.208 2.842 0 40 DFAB Nc1ccc(N2CCCC2)c(NS(=O)(=O)c2ccccc2)c1 216744926 YQXDKIWDCCLRIN-UHFFFAOYSA-N 317.414 2.670 0 40 DFAB Cn1nc([C@@H]2CCCN(Cc3ccccc3)C2)c2nccnc21 72393840 BAOCPCDEKLRPJY-OAHLLOKOSA-N 307.401 2.743 0 40 DFAB COCC[C@@H](C)NC(=O)Nc1cccc(-c2nccn2C)c1 77445532 XRSFRUWKPOTECE-GFCCVEGCSA-N 302.378 2.634 0 40 DFAB COc1ccc(OC)c(CNCc2nncn2-c2ccccc2)c1 30907991 KTIMNZHTXOLLAL-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB CCOc1ccc(CNC(=O)COc2ccccc2F)cc1 74987156 BXLZSDOZCPITGQ-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB CC[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225567 RGMJYMUBDRCNLH-AWEZNQCLSA-N 321.421 2.582 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC 225455833 CNIJRUUAVDTKOA-LSDHHAIUSA-N 304.434 2.771 0 40 DFAB O=C(O)[C@H](Cc1ccccc1)N1CCN(c2ccccc2)CC1 225140798 YQCNDHXNVQUYML-SFHVURJKSA-N 310.397 2.505 0 40 DFAB COC(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)OC 136746078 BABCEDYIHLWGBS-UHFFFAOYSA-N 311.809 2.854 0 40 DFAB Cn1cnc2cc(C(=O)OC[C@@H]3CCOc4ccccc43)cnc21 191635583 YRFVZIGWHPKXFJ-LBPRGKRZSA-N 323.352 2.691 0 40 DFAB C[C@H](C(=O)NCc1ccco1)N1C(=O)CCCc2ccccc21 227168987 XFRRBYLHHDXJDV-CYBMUJFWSA-N 312.369 2.654 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H]1COc2ccccc2O1 43465886 IKDIEGONEKJIGE-GFCCVEGCSA-N 314.341 2.657 0 40 DFAB COc1cc(-c2nc(COc3cccc(F)c3)n[nH]2)ccc1O 85384243 NYHSBCMSFCSODV-UHFFFAOYSA-N 315.304 2.904 0 40 DFAB Cc1n[nH]c(C)c1CC(=O)NCCCn1ccc2ccccc21 193074534 AGDZXKIRRPXVDX-UHFFFAOYSA-N 310.401 2.730 0 40 DFAB COc1cccc(OCCNC(=O)CCc2ccc(F)cc2)c1 45450612 CSVXDVFNGKQLFA-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H]2CC[C@@H](O)C2)c(OC(C)C)c1 195578387 BREJBIWASNILPR-GOEBONIOSA-N 320.433 2.742 0 40 DFAB O=S(=O)(Cc1ccccc1)NCCc1cccc2[nH]ccc12 330032764 ROIABBBVWFEUFQ-UHFFFAOYSA-N 314.410 2.830 0 40 DFAB O=C1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)N1 97371004 YTFCWCIWSASAPA-KHGFPJFYSA-N 318.442 2.811 0 40 DFAB O=C(NCCc1nncn1C1CC1)c1sccc1C1CC1 95394603 PALNCNSYXGRXFC-UHFFFAOYSA-N 302.403 2.524 0 40 DFAB COc1ccc2nc(CO[C@H]3CN(C(C)C)C[C@H]3F)[nH]c2c1 96112269 ALYMILDMMLBVFC-DOMZBBRYSA-N 307.369 2.519 0 40 DFAB biogenic,in-vitro Cc1c(NC(=O)NC2(C(C)(C)c3ccccc3)CC2)nnn1C 581597167 KZYKYPWVVIOVEM-UHFFFAOYSA-N 313.405 2.755 0 40 DFAB O=C(c1ccoc1)N1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 96076094 BNTKORYQCGNKKS-SFHVURJKSA-N 314.360 2.909 0 40 DFAB CCOC[C@@H]1COCCC12CCN(C(=O)C1=CCCC1)CC2 96106432 XJQJZYJKOKLFBC-MRXNPFEDSA-N 307.434 2.779 0 40 DFAB CC(C)N(CC(=O)N(C)Cc1cccs1)C1CCOCC1 96445733 GBLVLFDNIDXDMP-UHFFFAOYSA-N 310.463 2.596 0 40 DFAB CCc1nc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)no1 331089024 SUSDSIFPMBPLCP-UHFFFAOYSA-N 314.389 2.657 0 40 DFAB COc1ccc([C@@H](OCCC(=O)O)C(F)(F)F)cc1OC 95096457 MHVAWXIXSKSLSR-GFCCVEGCSA-N 308.252 2.799 0 40 DFAB O=C(c1ccsc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91777187 ONXMNFGMGQASOP-SMDDNHRTSA-N 309.337 2.974 0 40 DFAB CC(C)CO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cccs1)C2 248160125 KLZINXRZSOXQST-OUCADQQQSA-N 315.460 2.572 0 40 DFAB CS(=O)(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257295772 QZTZBVBXFGWRME-AWEZNQCLSA-N 324.377 2.501 0 40 DFAB O=S(=O)(c1cccs1)N1CCC[C@H]1CCc1ccncc1 257254387 KCVSRLHZHUJYME-AWEZNQCLSA-N 322.455 2.929 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257218636 DDXOMDRFXQGICS-KRWDZBQOSA-N 309.413 2.765 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C2)n1 257211747 CAGKJTGULCVBRX-LBPRGKRZSA-N 305.328 2.555 0 40 DFAB COc1cccc(CO[C@@H](C)C(=O)NCc2ccc(C)nc2)c1 49195139 MTQIHANMSMPSAS-AWEZNQCLSA-N 314.385 2.620 0 40 DFAB CCc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)sc1C 53945024 WCQFPISGWWBBAA-CQSZACIVSA-N 302.399 2.575 0 40 DFAB CCc1noc([C@H](C)N(C)Cc2ccc(OC)c(OC)c2)n1 69460988 STAIHNBKAHKBBK-NSHDSACASA-N 305.378 2.842 0 40 DFAB CO[C@]1(CNC(=O)Cc2c(F)cccc2Cl)CCSC1 96120690 AFHFZOIYNUBAGS-AWEZNQCLSA-N 317.813 2.660 0 40 DFAB CO[C@H](C)c1nc(CN(C)c2cncc(SC)n2)cs1 97162956 HNGGRGPVQSPEKR-SECBINFHSA-N 310.448 2.999 0 40 DFAB Cc1cc(NC(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)sn1 1548449016 LYQGWAQUWUGTRI-JTQLQIEISA-N 316.386 2.826 0 40 DFAB CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)O)C2=O)cc1 2328776 KRCBXADMBBGEFB-KWINOFQJSA-N 321.354 2.595 0 40 DFAB CC(=O)O[C@@H]1C(=O)c2c(C)nn(-c3ccccc3)c2CC1(C)C 5537822 VHXXIUBCAVQXDJ-QGZVFWFLSA-N 312.369 2.877 0 40 DFAB COc1ccccc1C(=O)OCc1cc2ccccc2[nH]c1=O 5217069 FZMOYEHOPVXOME-UHFFFAOYSA-N 309.321 2.894 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(F)cc1 15330036 KVXBYWIKRPICKI-LBPRGKRZSA-N 303.333 2.918 0 40 DFAB OC1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17031040 BHUZGLJVIIRLEU-UHFFFAOYSA-N 304.337 2.859 0 40 DFAB CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 19020623 SHLZNYBFBZWTEA-IBGZPJMESA-N 324.428 2.566 0 40 DFAB Cc1cncc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 156143960 WKVFKUSSVZFFOK-HNNXBMFYSA-N 302.422 2.730 0 40 DFAB CCc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)[nH]1 11717165 UXJVEDOGILESSG-SSDOTTSWSA-N 312.345 2.765 0 40 DFAB O=C(c1ccncc1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1888843444 RYTAZDJINAPLNG-KBPBESRZSA-N 316.792 2.940 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ncnc3c2CCCC3)c1 1888856964 CPJHZAFKRBFUJL-UHFFFAOYSA-N 313.357 2.625 0 40 DFAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2c(nn1)CCCC2 1888911976 XPTNXKZIFGEUKI-UHFFFAOYSA-N 319.368 2.998 0 40 DFAB Cc1cc(C(=O)NC[C@]2(O)CCCc3sccc32)c(C)o1 1889093099 YSVZFJBLTHYQFO-MRXNPFEDSA-N 305.399 2.912 0 40 DFAB CSC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1 2711373 RZDYROZQLVGLLY-UHFFFAOYSA-N 306.412 2.563 0 40 DFAB Cc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N 4316487 FNIUNOFPVIQTST-UHFFFAOYSA-N 318.340 2.875 0 40 DFAB Cc1cccc(Cn2c(S(C)(=O)=O)nc3ccccc32)c1 4304794 QMRMXZFJXXRGJA-UHFFFAOYSA-N 300.383 2.797 0 40 DFAB c1ccc(Nc2nc(NC[C@H]3CCCO3)nc3nccnc23)cc1 9075190 HBKKLHBRDLIFLJ-CYBMUJFWSA-N 322.372 2.754 0 40 DFAB Cc1nnc2c(N3CC4(CC(c5ccccc5)C4)C3)nccn12 1775970514 OUZGZGKAJJLACJ-UHFFFAOYSA-N 305.385 2.817 0 40 DFAB COc1cccc(OC)c1OC[C@@H](O)CSc1ccccn1 11692561 NXQIVJZTXIUGPV-GFCCVEGCSA-N 321.398 2.631 0 40 DFAB Cc1ccsc1[C@H](O)CNC(=O)Nc1ccc2c(c1)OCO2 70635881 LTLOLSWTSQXTFQ-LLVKDONJSA-N 320.370 2.640 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1nc(-c2cccs2)oc1C 40107257 KAUDWPGCCXSANV-LBPRGKRZSA-N 319.430 2.926 0 40 DFAB Oc1ccc(N2CCN(CCOc3ccccc3F)CC2)cc1 40161474 RXTKCEWMFNCYST-UHFFFAOYSA-N 316.376 2.732 0 40 DFAB Cc1nc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)sc1C 40481442 VEWZJYOPDKFNFA-SNVBAGLBSA-N 321.368 2.973 0 40 DFAB O=C(NCC1CC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 45458833 YOVYPFULZJJUCA-UHFFFAOYSA-N 321.852 2.967 0 40 DFAB O=C(Nc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccco1 416551 RHNOYNLSROCDNA-CQSZACIVSA-N 300.314 2.649 0 40 DFAB Cc1csc2nc(CNc3cc(F)ccc3F)cc(=O)n12 11622130 SBZWYBOWLXRNFE-UHFFFAOYSA-N 307.325 2.955 0 40 DFAB COCCCNC(=O)Nc1ccc(Br)cc1F 40525820 BUOLATPJBHTWRM-UHFFFAOYSA-N 305.147 2.746 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)oc2ccc(Cl)cc12 40521532 UEGACOQAUZGOPZ-GFCCVEGCSA-N 320.776 2.793 0 40 DFAB CCCO[C@H](CCC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C 1673775 ZSLYJBYUTOLYSG-CYBMUJFWSA-N 314.470 2.781 0 40 DFAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 32094426 CVXFVLPCBGMNDP-LLVKDONJSA-N 314.316 2.523 0 40 DFAB Clc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3nnnn32)cc1 221818 BBENOCQMEFGXGW-KBPBESRZSA-N 312.764 2.868 0 40 DFAB Cc1c(C)n(-c2cccnc2)c2ncn(Cc3ccco3)c(=N)c12 101029364 WSQHGZSNOHCHLW-UHFFFAOYSA-N 319.368 2.960 0 40 DFAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CC[C@@H](O)C1 71911815 GPGRMGDRHMZFKY-CYBMUJFWSA-N 323.824 2.929 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 54247878 RSVUDVWZDYDBON-DOMZBBRYSA-N 320.389 2.939 0 40 DFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(Cl)s1 33042452 XPGJIZCGRLOAOC-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)on2)c1 52955296 QBHSMUMOYVSZIA-HNNXBMFYSA-N 316.357 2.978 0 40 DFAB CCn1cc2c(C(F)(F)F)cc(SCC(=O)O)nc2n1 12398347 BPCOOQITFXZUMM-UHFFFAOYSA-N 305.281 2.647 0 40 DFAB Cc1ccc(CNCc2nnc3n2C[C@H](C(F)(F)F)CC3)o1 89656093 JIAJOIUJDGQHQF-SNVBAGLBSA-N 314.311 2.594 0 40 DFAB O=C(NCc1ccoc1)NC[C@@H](c1ccco1)N1CCCC1 43167275 KEGMDBIQJGHEND-AWEZNQCLSA-N 303.362 2.509 0 40 DFAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1c1ccccc1 25610364 PFQXZDIIDXOBSX-INIZCTEOSA-N 319.364 2.672 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3nccs3)CC2)o1 43719920 MYVBVLCFAKDPCX-GFCCVEGCSA-N 320.418 2.637 0 40 DFAB O=S(=O)(NCc1ccc(Cl)cc1)c1cccnc1Cl 35186119 ATOOAZGKIHXUJL-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N[C@@H](C(=O)O)CS1 3194454 CDZJUIYJFUMYSB-ZWNOBZJWSA-N 323.805 2.622 0 40 DFAB C[C@H]1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccccc21 22920522 AGMKELOWIMGFLD-HNNXBMFYSA-N 315.461 2.553 0 40 DFAB Cc1nc2ccccc2n1C[C@H](O)CN(C)Cc1ccccc1 60368071 JNPKVPDLKZWEFE-QGZVFWFLSA-N 309.413 2.838 0 40 DFAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)C1=COCCO1 3252244 NFXDLKSSTJIBKM-LBPRGKRZSA-N 319.357 2.570 0 40 DFAB CCCC(=O)NCc1ccc(OC[C@H]2CCCO2)c(OC)c1 58264100 WNOOLSMXUPZTOZ-CQSZACIVSA-N 307.390 2.669 0 40 DFAB COc1c(CNCc2ccc3c(c2)OCO3)c(C(C)C)nn1C 58391405 FQEQDXRZFJAKIT-UHFFFAOYSA-N 317.389 2.571 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H]1CCCO1 3399486 LADKONDECVGBSP-RISCZKNCSA-N 301.342 2.770 0 40 DFAB COc1ccc([C@H](NC(=O)c2cnn(C)c2)c2ccccc2)cc1 48287294 YBMQKSHSMVLVHA-GOSISDBHSA-N 321.380 2.948 0 40 DFAB Cc1cccc(N(C)C(=O)C2CCN(c3ncccn3)CC2)c1C 48375492 XEOORSCOBSMYQO-UHFFFAOYSA-N 324.428 2.973 0 40 DFAB COCCNCc1c(C)nn(Cc2ccccc2Cl)c1C 48408654 HOMWEYUCVUCSCU-UHFFFAOYSA-N 307.825 2.938 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 13058456 IZHUPOKRYQSASB-UHFFFAOYSA-N 304.390 2.678 0 40 DFAB C[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 8332581 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DHMNMLLYZBEGPD-UHFFFAOYSA-N 320.761 2.930 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@@H](C)c2cccs2)c1 69742482 KPYJCNPZPOXFFS-MELADBBJSA-N 320.462 2.670 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1 69817768 REIILPBRUKIWJX-OAHLLOKOSA-N 322.416 2.755 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)nc2O)C1 66776119 JOKRASXLBKKHHV-IUCAKERBSA-N 302.296 2.924 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)NCC1CCCCC1 5938578 RNSZNXKSMZWYCY-UHFFFAOYSA-N 318.417 2.512 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 69981503 IJBPDSYFUCPAKO-AWEZNQCLSA-N 303.431 2.968 0 40 DFAB NC(=O)c1ccc(CN2CCC[C@H](N3CCCCCC3)C2)cc1 69972679 DJWIYSYVTQXICL-SFHVURJKSA-N 315.461 2.626 0 40 DFAB CNC(=O)NC(=O)[C@H](Nc1ccc(C)c(C)c1)c1ccccc1 8710523 HKSJWORAZSFKJX-MRXNPFEDSA-N 311.385 2.912 0 40 DFAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1 9033440 PFRZSBDFUWHYLJ-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB O=C1CC[C@H](C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)N1 96004060 AUFHFTUWKZWQRI-ZCFIWIBFSA-N 323.563 2.570 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cn3c(C)cccc3n2)cc1 9315663 BLCWYMKQBAMALS-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB CC[C@H]1CN(CCCOc2ccc(F)cc2)CCN1CCOC 71864813 LPCNZJDEXVHERH-KRWDZBQOSA-N 324.440 2.637 0 40 DFAB CCc1noc(C)c1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71865735 FIOAEXGSBNTVFZ-CQSZACIVSA-N 316.405 2.745 0 40 DFAB CC[C@@H]1CN(C(=O)C2(c3ccccc3OC)CC2)C[C@@H]1N(C)C 89948333 SYOMHJYMOYFSFD-ZBFHGGJFSA-N 316.445 2.525 0 40 DFAB O=C(N[C@@H]1COc2ccccc2C1=O)c1ccc(Cl)s1 97034053 FXCZLZUJUCPFMN-SECBINFHSA-N 307.758 2.775 0 40 DFAB Cc1nnc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)o1 97141229 JLZAHJMFYAKQBA-UHFFFAOYSA-N 314.370 2.729 0 40 DFAB Cc1nc(COC(=O)c2ccc(Cn3ccnc3)cc2)oc1C 97111039 QZBAODKJIQZANU-UHFFFAOYSA-N 311.341 2.893 0 40 DFAB CNC(=O)Cn1ccc2ccc(NC(=O)N[C@@H](C)C(C)C)cc21 72303978 DQFBUZQEELOLEH-LBPRGKRZSA-N 316.405 2.553 0 40 DFAB CCn1ncc2c1CCC[C@H]2N[C@H](C)c1nc(C2CC2)no1 76046928 RFBIWKKPDCOYQT-ZWNOBZJWSA-N 301.394 2.892 0 40 DFAB CC(C)=CCOc1cccc(C(=O)N2CCc3[nH]ncc3C2)c1 76041366 PPOJIBKFGKVBFB-UHFFFAOYSA-N 311.385 2.953 0 40 DFAB CC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 95455770 TYCWXPJWTBLXOU-CQSZACIVSA-N 313.361 2.766 0 40 DFAB Cc1cncc(C(=O)N(c2ccc(F)cn2)C2CCOCC2)c1 95405092 DDSPBSRWMJNWCL-UHFFFAOYSA-N 315.348 2.750 0 40 DFAB CC1(CNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CCCC1 95426154 GNJBRCCWHKEXIX-BBRMVZONSA-N 312.479 2.921 0 40 DFAB O=C(O)c1ccc(NS(=O)(=O)c2cc3ccccc3o2)cc1 84919966 JYTHBJUERQRPBN-UHFFFAOYSA-N 317.322 2.932 0 40 DFAB C[C@H](Sc1nncn1C)C(=O)NCC1CCCCCCC1 79179932 UCUPLBCOWDACAR-LBPRGKRZSA-N 310.467 2.772 0 40 DFAB CCS(=O)(=O)CCN[C@@H](C)c1ccccc1C(F)(F)F 95967654 PWNHBXVFHSMWEG-JTQLQIEISA-N 309.353 2.791 0 40 DFAB O=C(O)c1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1 95970345 SPJQCYUKADDALA-UHFFFAOYSA-N 307.309 2.823 0 40 DFAB CCN(CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984067 JWRZFFGGHYOJKG-SWLSCSKDSA-N 321.469 2.603 0 40 DFAB C[C@@H](CN[C@H](C)c1ccc(F)c(Cl)c1)CS(C)(=O)=O 95984596 IGJKJJFXTKBLRO-VHSXEESVSA-N 307.818 2.810 0 40 DFAB Cc1cc(CN(C)C(=O)c2ccc(-c3ccccc3)[nH]c2=O)no1 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O=C(NCC1CC1)c1cn[nH]c1-c1cccc(Br)c1 72329087 CDOYVQWDGWULMY-UHFFFAOYSA-N 320.190 2.979 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cn1 85481165 ZXOOTWZPSBPCGN-HNNXBMFYSA-N 309.369 2.663 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226391140 MJSCFQBYOZURHK-DFYGGBHCSA-N 322.408 2.672 0 40 DFAB CCn1cc(OC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cn1 192003095 ROFCWJMSWDVIHZ-UHFFFAOYSA-N 302.378 2.951 0 40 DFAB CCc1ccc(CC(=O)NCCOc2ccccc2OC)cc1 225141441 LIAXAJGJCPBHJO-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB COc1cccc2cc(C(=O)NC[C@@](C)(O)c3ccco3)oc12 75156233 IAXIMDVKOKXIIY-QGZVFWFLSA-N 315.325 2.672 0 40 DFAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cn1 225889120 RQJJKRFTGJXTBR-CXAGYDPISA-N 322.405 2.641 0 40 DFAB CCC[C@](C)(CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1 96472951 GIQJPLBQNPZKMO-GOSISDBHSA-N 304.434 2.998 0 40 DFAB COCc1nc(C(=O)N[C@H](C)c2c(F)cccc2OC)cs1 96425691 ITRASXYMWZMSPN-SECBINFHSA-N 324.377 2.928 0 40 DFAB C[C@H]1CCCN(C(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)C1 96193007 QDCAMYDUCZEJMX-SJCJKPOMSA-N 304.365 2.967 0 40 DFAB COc1ccccc1[S@@](=O)Cc1cn2cccc(C)c2n1 96459955 CNRQJTJTHFMQRE-OAQYLSRUSA-N 300.383 2.959 0 40 DFAB CCn1cc(CN(C)C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cn1 579511684 OEJSLLTYSLCDLW-JKSUJKDBSA-N 316.380 2.740 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c(Cl)c1 579942131 BDZDBRDFHHNKHD-VIFPVBQESA-N 321.833 2.974 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)C1(c2ccc(F)cc2F)CCC1 96495092 KRIKVZFXMUQZGY-NHYWBVRUSA-N 309.356 2.664 0 40 DFAB C[C@H](C(=O)N1CC[C@H](C)[C@H]1C)[C@@H](C)C(=O)N1CC[C@@H](C)[C@H]1C 252587698 ZXNYITSZMOXYCQ-ZTYXSZCMSA-N 308.466 2.772 0 40 DFAB O=C(c1cncnc1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257217989 DBKYALWMRHJNRT-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](O)[C@@H]2N 253504063 CPNKFWQTLWHDPO-JPDDNCELSA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro Cc1c[nH]c([C@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257233866 GRCHPLIXFXYTIC-CQSZACIVSA-N 315.373 2.519 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@H](c1cccs1)n1cccn1 575605136 MWXVGIRSXFWAPX-GFCCVEGCSA-N 316.386 2.569 0 40 DFAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCO1 55628958 PHHBYJSGWMPQLE-GXFFZTMASA-N 317.307 2.768 0 40 DFAB Cc1ncsc1CN(C)C(=O)NC1CC(C)(C)NC(C)(C)C1 66596200 WRZFKSBTJJUWBK-UHFFFAOYSA-N 324.494 2.902 0 40 DFAB CCN(CC)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 67422242 DAKWLRDZLJUNOF-UHFFFAOYSA-N 317.433 2.651 0 40 DFAB O=C(O)c1ccc(Cl)c(CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)c1 1549225811 QIRZNQGRVNRNRG-SCRDCRAPSA-N 309.793 2.631 0 40 DFAB CC(C)Oc1cccc(CN2CCC[C@@H]2Cn2cncn2)c1 69630483 WVPNGIPFYZAXLH-MRXNPFEDSA-N 300.406 2.730 0 40 DFAB Cc1cc2c(N3CCN(c4ccc(F)cc4)CC3)nccn2n1 302290275 LAXILANEOPBKDD-UHFFFAOYSA-N 311.364 2.503 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(CC(=O)O)cc2)c1 13439653 WMDUYCSPHYCIRG-UHFFFAOYSA-N 315.325 2.583 0 40 DFAB CSCC[C@H](N)C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 154450427 KMLJTXVOKWIBRN-INIZCTEOSA-N 320.502 2.949 0 40 DFAB O=C(O)/C=C/c1cccc(NC(=O)COc2ccccc2F)c1 226322793 NTOCVARJZBKPGS-CMDGGOBGSA-N 315.300 2.941 0 40 DFAB CCN1CCOc2ccc(NC(=O)CC(C)(C)C)cc2C1=O 9828139 POBRAUNHGXRBFN-UHFFFAOYSA-N 304.390 2.916 0 40 DFAB CN(C)c1cc([C@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 19584330 LDQHUUGRQGTDFG-MRXNPFEDSA-N 319.412 2.847 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(F)cc1F 3435041 IRUXYDJVMKQSAB-YGRLFVJLSA-N 311.328 2.817 0 40 DFAB N=C(SCc1cc(Cl)c2c(c1)OCO2)N1CCOCC1 29581572 VNEKOBAYUPKAJL-UHFFFAOYSA-N 314.794 2.569 0 40 DFAB Cn1ccc2cc(C[C@H]3COCCN(Cc4ncc[nH]4)C3)ccc21 2037658296 LJXFGSJDXYRDNB-MRXNPFEDSA-N 324.428 2.593 0 40 DFAB COC(=O)c1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 100843085 ISULTSRFCMYTGN-HUUCEWRRSA-N 313.353 2.709 0 40 DFAB Cc1cc(CNC(=O)COc2cccc3ccccc23)ncn1 585359083 AXRZKZWEIIEWEA-UHFFFAOYSA-N 307.353 2.633 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)O1 2746029 UWLBCKFBVIVLMO-IUCAKERBSA-N 324.229 2.791 0 40 DFAB O=C(CN1CCc2ccc(F)cc21)Nc1cccnc1Cl 58978276 XYTORBLNHYHRCX-UHFFFAOYSA-N 305.740 2.875 0 40 DFAB O=C(NCCc1ccc(Cl)cc1Cl)c1cnns1 40554591 NUOVYJTZRDSCNI-UHFFFAOYSA-N 302.186 2.817 0 40 DFAB NC(=O)c1ccsc1NC(=O)CC1(C(=O)O)CCCCCC1 16482477 ZLHIOZLLEWNORP-UHFFFAOYSA-N 324.402 2.601 0 40 DFAB Cc1ccccc1NC(=O)CCN1C(=O)COc2ccccc21 8060295 WKBLHMRMXOQZHO-UHFFFAOYSA-N 310.353 2.749 0 40 DFAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccs2)cc1 1328587 CIVSSLBSHXZBHO-LBPRGKRZSA-N 303.383 2.918 0 40 DFAB Nc1cc2c(cc1Br)-c1c(C(=O)O)cccc1C2=O 1705954 BDLUOXLDWVUJRU-UHFFFAOYSA-N 318.126 2.941 0 40 DFAB CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C 3076075 PLTKUZRJIQBCNQ-ZDUSSCGKSA-N 308.765 2.873 0 40 DFAB O=C(c1ccco1)N1CCC[C@H]1c1nnc2n1CCCCC2 40817113 XMLWHSHCEJKUJD-LBPRGKRZSA-N 300.362 2.575 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 4832178 DYFKMYSUQISRAG-DTVLGXAZSA-N 314.366 2.758 0 40 DFAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)CC(=O)N2 4944177 KMBCUDCACRUKKK-NSHDSACASA-N 315.398 2.664 0 40 DFAB COc1ccc(-c2n[nH]c(SCC(=O)OC(C)C)n2)cc1 6141563 NDLIMHXAXAMDEO-UHFFFAOYSA-N 307.375 2.524 0 40 DFAB CC1(C)[C@H]2CC=C(COC[C@H](O)CNCc3ccccn3)[C@@H]1C2 6822592 VJMNNNJDUNTRJC-JQHSSLGASA-N 316.445 2.541 0 40 DFAB C[C@H]1CCCCN1c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 57328142 KZEWPTKVJVXDSG-QWHCGFSZSA-N 302.374 2.503 0 40 DFAB NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103058365 UYCWGFBABHSOAJ-CXTCDGGRSA-N 313.397 2.553 0 40 DFAB O=C(CNc1ccc(-n2cncn2)cc1)NC1CCCCCC1 46489184 JVLOLDDNBCANMB-UHFFFAOYSA-N 313.405 2.518 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc[n+]2[O-])C2CC2)o1 52775419 AMLNWEGSBDMAAR-DOMZBBRYSA-N 312.369 2.841 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccccc1Br 102700568 XZPWVJAEXUPHCP-TXEJJXNPSA-N 320.186 2.900 0 40 DFAB O=C(NCCn1cc(Cl)cn1)c1ccccc1OC(F)F 2729444 BLIMXHDKKIFOPI-UHFFFAOYSA-N 315.707 2.568 0 40 DFAB CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 557378 PHWXUQDTWHSXFG-UHFFFAOYSA-N 317.736 2.859 0 40 DFAB CCc1nc2scc(-c3ccccc3)c2c(=O)n1CCO 535505 SZAOVCMDKSGREI-UHFFFAOYSA-N 300.383 2.680 0 40 DFAB CCc1ccc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)o1 71908178 FAYDNAKTOIPJFF-CQSZACIVSA-N 313.401 2.756 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)CN1CCCCCC1=O 23694923 YHLYETVXOZTYKO-OAHLLOKOSA-N 302.418 2.527 0 40 DFAB COc1ccc(OC)c(CN(C(=O)c2ccccn2)C2CC2)c1 26028675 AZULFCPKFYGGHQ-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB C[C@@H]1CCC[C@H]1N[C@H](c1nc(-c2nnc[nH]2)no1)C(C)(C)C 108491759 YMCSXQTXCPQEKR-GMTAPVOTSA-N 304.398 2.720 0 40 DFAB COc1cc(CNc2cc(C)nc(-c3ccncc3)n2)ccn1 57826149 ZWGYMDGMGRVVIO-UHFFFAOYSA-N 307.357 2.863 0 40 DFAB CC(C)CCC(=O)NCCNC(=O)c1ccc2ccccc2n1 10313545 BOQUSTOLEVEDPA-UHFFFAOYSA-N 313.401 2.517 0 40 DFAB CCOC(=O)C1(NC(=O)COCc2ccccc2)CCCCC1 58304991 UXLOXIHHRQYFMM-UHFFFAOYSA-N 319.401 2.585 0 40 DFAB CCCc1noc(CN(CC)Cc2ccc3c(c2)OCCO3)n1 45004091 IWPDTIVUKXTXKY-UHFFFAOYSA-N 317.389 2.815 0 40 DFAB Cn1cc(-c2nc(C(=O)Nc3ccccc3O)cs2)cn1 45012340 VOONFQNCCKLTME-UHFFFAOYSA-N 300.343 2.502 0 40 DFAB CC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372458 YHQSBKZTDFPRHA-UHFFFAOYSA-N 314.366 2.719 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2csc(C)n2)c[nH]1 48251208 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O=C1OC(c2ccccc2)=N/C1=C\c1ccc2c(c1)OCCO2 4567640 BQUFRVPHIRVTFL-UVTDQMKNSA-N 307.305 2.802 0 40 DFAB COc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 8488258 ODIUSQROUVRIIM-UHFFFAOYSA-N 309.321 2.732 0 40 DFAB CCn1c(SCC(=O)N(C)C)nnc1-c1cccc(Cl)c1 5533143 QCIZDUWLWDHJRP-UHFFFAOYSA-N 324.837 2.799 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc[n+]([O-])cc1 5961969 QNUGCLGXQVALDU-GFCCVEGCSA-N 324.336 2.538 0 40 DFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(C[C@@H]2CCCO2)C1=O 7088439 GESJWHGVRIYUDY-LIRRHRJNSA-N 324.380 2.786 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)c1ccc3c(c1)CCC3)C2 69929669 ZXLYAAJDDXQSLW-UHFFFAOYSA-N 310.401 2.546 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(F)ccc2n1C 80338282 FNRWWVCLQMGSHS-CYBMUJFWSA-N 320.364 2.635 0 40 DFAB CCNC(=O)N1CC[C@@H](N[C@@H]2CCSc3ccccc32)C1 90409805 AJELRQIZYVDPGU-TZMCWYRMSA-N 305.447 2.617 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(F)c1 7552461 FHXYSBGIMJCGII-OAHLLOKOSA-N 318.348 2.892 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1oc2c(c1C)C(=O)CCC2 68214388 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Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)O[C@H](C)C1 71877739 BQLPXPRVCVEVGM-PHIMTYICSA-N 302.349 2.932 0 40 DFAB CC(C)(C)c1n[nH]cc1CNC[C@H]1CCN(CC(F)(F)F)C1 71819610 BHDSVXVYJFMOSV-LLVKDONJSA-N 318.387 2.681 0 40 DFAB O=C(CCCn1ccnc1)N1CCC(c2ccc(O)cc2)CC1 72294933 BQTNSQYQEOPQLF-UHFFFAOYSA-N 313.401 2.775 0 40 DFAB CCC[C@](C)(O)CNC(=O)COc1ccc(F)c(Cl)c1 72293162 FQPHYXOHMMGIJJ-AWEZNQCLSA-N 303.761 2.525 0 40 DFAB CCN(C[C@H]1CCN(C(=O)NC(C)(C)C)C1)CC(F)(F)F 97164087 BOJZZBKSKPSGJO-LLVKDONJSA-N 309.376 2.701 0 40 DFAB COC(=O)C1(NCc2coc(-c3c(F)cccc3F)n2)CCC1 97373769 OTMUFQDVKXVLIJ-UHFFFAOYSA-N 322.311 2.805 0 40 DFAB C[C@H](CCc1cccc(F)c1)NC(=O)N1CC[C@@H]([C@@H](C)O)C1 97372915 JONBXRHPVNVVNB-UMVBOHGHSA-N 308.397 2.559 0 40 DFAB O=C(c1ccc(Cl)cn1)N1CCOC[C@@H]1c1ccccc1 76068298 QQAJMMURZOWZHI-OAHLLOKOSA-N 302.761 2.949 0 40 DFAB CCc1ccc([C@H](C)NC(=O)COc2c(C)nn(C)c2C)cc1 76040164 VXHBVQCSYXCEKB-LBPRGKRZSA-N 315.417 2.856 0 40 DFAB CCC[C@](C)(NCC(=O)Nc1ccccc1Cl)C(=O)OC 84740012 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COc1cc(OC)cc(N2CC[C@@H](NCc3ccco3)C2)c1 78996582 GCYXXAURMDJSJG-CYBMUJFWSA-N 302.374 2.665 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 78948668 CJPDMTJKEJSHQB-HYVNUMGLSA-N 320.433 2.716 0 40 DFAB COc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 28232473 OXHXCYKLPOTYHU-LLVKDONJSA-N 315.325 2.830 0 40 DFAB C[C@H](Cn1cccn1)n1cnc2cccc(C(F)(F)F)c2c1=O 32551069 PWUVRFRBCVGQBZ-SNVBAGLBSA-N 322.290 2.873 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCN(CC(F)(F)F)CC1 53836903 CAZHWAPXMPBCRF-UHFFFAOYSA-N 323.318 2.555 0 40 DFAB COc1ccccc1[C@H]1Nn2c(nnc2-c2cccnc2)S1 3843140 RKNZCKBACRADLZ-AWEZNQCLSA-N 311.370 2.697 0 40 DFAB biogenic O=C1OCCN1c1cccc(NS(=O)(=O)c2cccs2)c1 31720124 GANNTBZYDHEPRO-UHFFFAOYSA-N 324.383 2.506 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cc(C)no2)cc1 36705402 QSVUVHDGWBIFGN-MSUUIHNZSA-N 313.382 2.944 0 40 DFAB CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2COC)C1 77916027 UDCWFVVCBZROKK-HIFRSBDPSA-N 318.417 2.857 0 40 DFAB O=C(CCc1ccccc1)N1CCOC[C@@H](Cc2ccccn2)C1 72388198 WLTDGCDBBYNTKA-SFHVURJKSA-N 324.424 2.732 0 40 DFAB O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1COCCO1 79093413 BYINULVCIDDAAY-NEPJUHHUSA-N 316.184 2.512 0 40 DFAB Cc1nc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2C)cs1 72385920 LVCKQKBIUOYUEO-ZDUSSCGKSA-N 304.419 2.779 0 40 DFAB CC(C)(C)[C@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 72259948 GJKPGZNEBCUUJZ-OAHLLOKOSA-N 302.374 2.869 0 40 DFAB Cc1ccc(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 71328500 MNOHPDMNLXHGBB-UHFFFAOYSA-N 310.401 2.558 0 40 DFAB CC[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCO1 61450662 PYWOLQFJLRDNJS-ZDUSSCGKSA-N 300.362 2.515 0 40 DFAB COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H]1CO 191262636 AZYPNHWJWZYUMS-MRVPVSSYSA-N 319.188 2.991 0 40 DFAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 192677330 UBWPVTAMGBMQQJ-UHFFFAOYSA-N 314.360 2.951 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222983482 BLWNCXLRBCRQOJ-AWEZNQCLSA-N 320.433 2.595 0 40 DFAB O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ncccn2)CC1 192015600 IJECNTWANJGJDV-KRWDZBQOSA-N 301.365 2.561 0 40 DFAB Cc1ccc(CN(CCO)C(=O)[C@@H]2CCCC(F)(F)C2)o1 330391392 FZOCRCYOTZLIAL-GFCCVEGCSA-N 301.333 2.734 0 40 DFAB COc1ccc(OCc2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1 95534117 MTNPDLKTYBQJOC-QGZVFWFLSA-N 324.384 2.749 0 40 DFAB NC(=O)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 98175503 JODQMEBLNJUNSY-UHFFFAOYSA-N 316.226 2.949 0 40 DFAB Cc1ccccc1CNC(=O)c1cc(C(C)C)nc(N(C)C)n1 96101142 VCQMYCOYFIZOMO-UHFFFAOYSA-N 312.417 2.904 0 40 DFAB c1cc2nsnc2cc1-c1csc(N2CCOCC2)n1 96124474 IMPZRGGWJGDSDS-UHFFFAOYSA-N 304.400 2.651 0 40 DFAB CN1CCC2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc12 96079586 UKEVBGQAVYJIEY-UHFFFAOYSA-N 321.424 2.701 0 40 DFAB CC[C@H]1CCCN(C(=O)[C@@H](NC2CCOCC2)C(C)C)CC1 96436609 HUGUEZMONPELCA-RDJZCZTQSA-N 310.482 2.818 0 40 DFAB C[C@H](N)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 96544709 XSKAVNAYEIVLKN-MAUKXSAKSA-N 315.486 2.954 0 40 DFAB CC(C)c1noc(CCCNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1 96439678 MMLNWLOJZSTWIO-KBPBESRZSA-N 318.421 2.733 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 96408232 YKTSVTKMQBECJR-IVZQSRNASA-N 321.442 2.877 0 40 DFAB Cc1nccc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)n1 257242449 ICNRNUFRRSUEPF-LJQANCHMSA-N 324.428 2.708 0 40 DFAB CNc1nccc([C@@H]2CCCCN2Cc2cccnc2NC)n1 257219185 DFXMRJAXPPFHRY-HNNXBMFYSA-N 312.421 2.682 0 40 DFAB C[C@@H]1CCN(C(=O)c2cnn3cccnc23)[C@H](c2ccco2)C1 266551949 SGWXUVURUHVJMX-OCCSQVGLSA-N 310.357 2.936 0 40 DFAB CC(C)c1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1 298077380 BKXCIBIHZGIGND-UHFFFAOYSA-N 302.418 2.875 0 40 DFAB Cc1noc(C)c1CC(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575618155 SNBCCRCQWGBMPQ-CQSZACIVSA-N 324.384 2.657 0 40 DFAB CC(C)CO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 585141424 ULOAAZYNAOJRPO-ZFWWWQNUSA-N 317.389 2.531 0 40 DFAB CC1=N[C@@H]2CCN(C(=O)c3ccc(N)cc3)c3ccccc3C2=N1 585656256 DBVGQZDHSOALDW-MRXNPFEDSA-N 318.380 2.909 0 40 DFAB CC[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1Br 48888812 OIZNMGILOBWBHK-SECBINFHSA-N 300.200 2.885 0 40 DFAB CO[C@@]1(CNC(=O)CSCc2ccccc2)CCSC1 96097594 GQHIQBJEEVQIOY-OAHLLOKOSA-N 311.472 2.558 0 40 DFAB Cc1ccc([C@H](CNC(=O)N(C)C2CCC2)N2CCCC2)o1 73980984 LQOHEDXVWCDBJN-HNNXBMFYSA-N 305.422 2.919 0 40 DFAB C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 76092501 ALHSQEDYVRLGQY-TZMCWYRMSA-N 318.377 2.880 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)nc1 12824167 NSVTZCXPLBFYEI-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 14210727 IDSAIQXOTUINRS-JTQLQIEISA-N 323.345 2.594 0 40 DFAB CCCCS(=O)(=O)Nc1ccn(Cc2ccccc2C)n1 14222871 VXGNEHULZMUHJT-UHFFFAOYSA-N 307.419 2.782 0 40 DFAB CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 8477355 LZKRBCVPNHQKQL-LRGIMLIUSA-N 314.341 2.630 0 40 DFAB O=Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 2383362 WACIDFSJZAPASS-UHFFFAOYSA-N 309.321 2.564 0 40 DFAB Cc1nccn1CC1CN(C(=O)CCc2cccc(Cl)c2)C1 1849045447 FBHPGTSBIQSDBF-UHFFFAOYSA-N 317.820 2.936 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@@H]2N 38781378 CPNKFWQTLWHDPO-KHOSGYARSA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro CN1CCCC[C@]2(CN(Cc3ccc(Cl)cc3)CCO2)C1=O 2037983892 JZZXYSLUZPKYMU-KRWDZBQOSA-N 322.836 2.553 0 40 DFAB CNC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1C 4570410 XTDQLFKTESVIRH-UHFFFAOYSA-N 318.398 2.985 0 40 DFAB COC(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccccc2)cs1 12440341 DYWNUVWJAWMFJX-JTQLQIEISA-N 319.386 2.741 0 40 DFAB O=C(CCOc1ccccc1Cl)NCCc1ccccn1 40073990 HNTJCLPQPBIJLR-UHFFFAOYSA-N 304.777 2.863 0 40 DFAB CCc1nc2[nH]c(CSc3ccc(C)cc3)cc(=O)n2n1 100132617 VFIDYJGZEPYLQW-UHFFFAOYSA-N 300.387 2.581 0 40 DFAB CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1 55170 XGXROTOSLDIONT-UHFFFAOYSA-N 308.337 2.602 0 40 DFAB Clc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1 257069 JUXOULQRVOUSQE-UHFFFAOYSA-N 314.732 2.771 0 40 DFAB O=C(COc1ccccc1F)N[C@@H]1CCOc2ccccc21 7215678 WJBWQHRTACFVDT-CQSZACIVSA-N 301.317 2.845 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@H](C)C1 11497962 DQSIQRHQWJCXHJ-LLVKDONJSA-N 302.399 2.979 0 40 DFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(C(C)C)no2)C1 51052102 ZKGDZIUVHNTFFP-KBPBESRZSA-N 322.453 2.710 0 40 DFAB CCCCNCCOC(=O)c1ccc(OCCCC)c(N)c1 1656390 DUBFFVGEEWHBPD-UHFFFAOYSA-N 308.422 2.994 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3)C2=O)cc1 7212914 CSZTZKKRSYEOHX-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB Cc1cccc2c1nc1s/c(=C\c3ccc(F)cc3)c(=O)n12 359316 JIGGAOPBLOHWKF-ZROIWOOFSA-N 310.353 2.904 0 40 DFAB CCN(Cc1nc(-c2cccc(C)c2)no1)C[C@H]1CCOC1 52072461 WHBWZZJTKPPRQN-CQSZACIVSA-N 301.390 2.903 0 40 DFAB COC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 8583043 BCFJPRRBQGZVDS-CYBMUJFWSA-N 311.389 2.879 0 40 DFAB O=C(c1cccnc1SC1CCCC1)N1CCC(O)CC1 71970275 OGCRZVZQBIDGJS-UHFFFAOYSA-N 306.431 2.713 0 40 DFAB COCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 59323020 UBMBLUMQSVRWHH-UHFFFAOYSA-N 308.230 2.989 0 40 DFAB CCCOCc1ccccc1CNC(=O)N1CCOCC[C@H]1C 91607045 KOOAFPRHVCNMPN-OAHLLOKOSA-N 320.433 2.934 0 40 DFAB CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 107204826 NFBWXMJYGDZUQB-JYJNAYRXSA-N 319.401 2.574 0 40 DFAB Clc1ccc([C@@H](NCc2nnnn2C2CC2)C2CC2)cc1 52827272 IXRSYMSXPWMPSJ-HNNXBMFYSA-N 303.797 2.902 0 40 DFAB O=C(CCc1ccccn1)Nc1ccc2c(c1)CCCC(=O)N2 171250662 FLNIFZNOADEWNE-UHFFFAOYSA-N 309.369 2.928 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 55651084 YBNMFXSOIOOSCY-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB COc1ccc(OC)c(CCNC(=O)Cc2ccc(C)s2)c1 57048445 FEAQUDOJERUODM-UHFFFAOYSA-N 319.426 2.975 0 40 DFAB O=C(CC1CCCC1)N1CCN(C[C@H](O)c2cccs2)CC1 56921537 XYQFSCQHSXBBNX-HNNXBMFYSA-N 322.474 2.506 0 40 DFAB O=C(Nc1ccccc1)c1cccc(CN2CCC[C@H](O)C2)c1 54152598 SUPIDECVIWKQSH-SFHVURJKSA-N 310.397 2.896 0 40 DFAB COC(=O)[C@H]1CCCCN1C(=O)c1oc2ccccc2c1C 42646947 XTWOVTJKEGVHJG-CYBMUJFWSA-N 301.342 2.909 0 40 DFAB Cc1cc(C)cc(-n2ccn(CN3CCOCC3)c2=S)c1 24097309 AYBDQALJHCQPIY-UHFFFAOYSA-N 303.431 2.915 0 40 DFAB CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 54859719 YOVUVPMLCYFFNY-IRXDYDNUSA-N 314.429 2.827 0 40 DFAB CCc1nnsc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 24397594 XJSMTOKHQCUXFP-SECBINFHSA-N 321.402 2.609 0 40 DFAB COc1ccc(C(=O)Nc2ncccc2O)cc1Br 12536795 KPCZENOMGDNAJW-UHFFFAOYSA-N 323.146 2.811 0 40 DFAB CC1=CC(C)(C)NC(=S)N1NC(=O)c1ccccc1Cl 1299687 RGGHUCUNRGNTOA-UHFFFAOYSA-N 309.822 2.857 0 40 DFAB Cc1cccc(CNC(=O)NCCc2cn3ccccc3n2)c1 26286681 ZHJAGYCQGAULGZ-UHFFFAOYSA-N 308.385 2.685 0 40 DFAB COCCCNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564459 YRTPNHBDBLKIKE-UHFFFAOYSA-N 314.389 2.603 0 40 DFAB O=S(=O)(Nc1cccc(Br)n1)c1ccccc1 35678931 QZVNFSHOYZFRQN-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB NC(=O)[C@@H](NC(=O)CCc1ccc(Cl)s1)c1ccccc1 44405778 QTFKSXLWCFTGHJ-AWEZNQCLSA-N 322.817 2.677 0 40 DFAB COc1ccc([C@H]2C[C@@H](c3cccs3)n3nnnc3N2)cc1 15866510 AOLHYDHOXLBAOA-OLZOCXBDSA-N 313.386 2.890 0 40 DFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCc2ccccc2C1 3306838 PLGZWNQVGIMHPW-UHFFFAOYSA-N 309.337 2.712 0 40 DFAB CCN(CC)[C@H](CNc1cn[nH]c(=O)c1Cl)c1ccccc1 44874387 HEKWDNHGBAQLRH-CQSZACIVSA-N 320.824 2.918 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(F)c1 7552530 ZVARKMMOIIPXEZ-AWEZNQCLSA-N 304.321 2.501 0 40 DFAB Cc1csc(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)n1 44952979 DSAXMDAMSCISDY-YPMHNXCESA-N 311.451 2.846 0 40 DFAB Cc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1C(C)(C)C 44943865 SWBOPAGOIBWXJT-UHFFFAOYSA-N 315.373 2.605 0 40 DFAB O=C(Nc1ccccc1F)N[C@H](CO)c1cc(F)ccc1F 44980002 MAHVITMDEZHAMH-CQSZACIVSA-N 310.275 2.959 0 40 DFAB COCCN(Cc1ccco1)Cc1nc(-c2ccccc2)no1 44914193 MKTHKICUDPYCAZ-UHFFFAOYSA-N 313.357 2.978 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN(c2ccccn2)C1 58430885 DKUQGKKZYNFJEV-KZNAEPCWSA-N 321.424 2.970 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)no1)NC1CCCC1 48333965 LISXJSIHJGDMLM-UHFFFAOYSA-N 304.325 2.618 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 12977842 JQPYDVKXHKBPAG-ZDUSSCGKSA-N 322.368 2.767 0 40 DFAB CCCCn1c(SCC(=O)NC(C)=O)nc2ccccc21 7738725 QNICPGRTAGZVPE-UHFFFAOYSA-N 305.403 2.591 0 40 DFAB O=C(O)c1cccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c1 13419238 WAZPCTXUNCRYCN-INIZCTEOSA-N 311.337 2.784 0 40 DFAB O=C(O)Cc1csc(NC(=O)Cc2ccccc2Cl)n1 13404914 KQXRZGDXVCFKCW-UHFFFAOYSA-N 310.762 2.605 0 40 DFAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1 7944847 MYRKUQMZDVNJAC-UHFFFAOYSA-N 322.386 2.762 0 40 DFAB N[C@@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)O 39712938 NQSSWZMUJYBVRB-QMMMGPOBSA-N 301.186 2.679 0 40 DFAB COc1cc2cc(C(=O)NCc3ccco3)[nH]c2cc1OC 5245239 RTOZGWUHHSDQLN-UHFFFAOYSA-N 300.314 2.708 0 40 DFAB Cc1ncc(CN(C)C(=O)c2ccc(N(C)C)c(F)c2)s1 65489855 XCOYWZWBJIXRTI-UHFFFAOYSA-N 307.394 2.929 0 40 DFAB NC(=O)c1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 14018412 MAIYCNQUIALGSW-UHFFFAOYSA-N 324.424 2.967 0 40 DFAB CCn1nnnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1 14139888 LOJIOZCVERUZAL-SNVBAGLBSA-N 316.390 2.905 0 40 DFAB CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)OCCO2 5416969 MAPGFLOHGFHEOG-UHFFFAOYSA-N 319.386 2.605 0 40 DFAB Cc1noc(C)c1CN(Cc1cccnc1)C[C@@H]1CCCO1 69157744 BDDRJTKCNSFBPM-INIZCTEOSA-N 301.390 2.868 0 40 DFAB COc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1 5550115 YXVCJVYGJYOQJA-UHFFFAOYSA-N 302.355 2.528 0 40 DFAB CC(=O)CSc1nc2ccccc2nc1SCC(C)=O 5631722 IBHCZQFGVZACIZ-UHFFFAOYSA-N 306.412 2.992 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)NC(C)C)o2)cc1C 5778930 XSQLRFMCCLJNPJ-UHFFFAOYSA-N 305.403 2.970 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccccc1)C2=O 8352304 NZIWMGFMAVDLJK-KBXCAEBGSA-N 316.401 2.956 0 40 DFAB CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 7052059 HMNFBAOMMBWTJX-UHFFFAOYSA-N 308.334 2.585 0 40 DFAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1C 7180299 HLYHYNZRTAQJDR-UHFFFAOYSA-N 307.296 2.960 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1[S@@](C)=O 80134082 ANVXKXVTTZBZES-XMHCIUCPSA-N 324.446 2.703 0 40 DFAB O=C(CSc1ccccc1F)N[C@H]1CCCC[C@@H]1C(=O)O 70525061 GHILMJZNRSRYPU-JQWIXIFHSA-N 311.378 2.677 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3occc3C)CC2)cs1 69926449 XTIXWTZXKVCQQD-UHFFFAOYSA-N 319.430 2.701 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1Cn1cccn1 69971318 OUTBPVRRGHJLDP-MRXNPFEDSA-N 322.412 2.988 0 40 DFAB CC(C)NC(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89885218 SNARSVXDRBKENP-ROUUACIJSA-N 324.424 2.974 0 40 DFAB C[S@@](=O)c1ccc(NC2CCN(c3ccccn3)CC2)cc1 96004859 KCRSUSNGRJFDDM-QFIPXVFZSA-N 315.442 2.900 0 40 DFAB CC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1cccs1 89947954 NFDSHDWENWMRBB-RYUDHWBXSA-N 303.449 2.688 0 40 DFAB Cc1ncn(CCC(=O)Nc2cccc(Cl)c2)c(=O)c1C 97082256 GPNFWBCLXVKZLY-UHFFFAOYSA-N 305.765 2.542 0 40 DFAB O=C(NCc1ncc[nH]1)c1csc(Cc2cccc(F)c2)n1 97056510 UPWPYBSPIDEXAD-UHFFFAOYSA-N 316.361 2.526 0 40 DFAB Cn1nccc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 84241125 FULIPPJLLHHAJM-UHFFFAOYSA-N 303.410 2.921 0 40 DFAB O=C(O)c1coc(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c1 97115280 ZMEOJYZTCFMYTE-FZKQIMNGSA-N 311.337 2.612 0 40 DFAB CN1CCN[C@@H](Cc2ccccc2-c2cc(F)cc(F)c2)C1=O 72352872 PFLMUBOMMJQMSP-KRWDZBQOSA-N 316.351 2.605 0 40 DFAB Cc1nc(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cs1 78383657 JEBKSXZXOXDDTJ-UWVGGRQHSA-N 307.419 2.698 0 40 DFAB CCOC(=O)N(C)C1CCN(CCc2scnc2C)CC1 95399424 PHCQCWULPXPVCE-UHFFFAOYSA-N 311.451 2.547 0 40 DFAB c1ccc(NCc2ccc3c(c2)CCO3)c(Cn2cncn2)c1 95428799 NZKACAJLHVGSPL-UHFFFAOYSA-N 306.369 2.873 0 40 DFAB C[C@H]1CCCCN1C(=O)CNc1ccccc1N1CCCC1=O 95407373 AXDCJIUKYWAAIC-AWEZNQCLSA-N 315.417 2.626 0 40 DFAB COc1ccc(Cc2nc3nccc(-c4ccco4)n3n2)cc1 95477692 YMQMYSPCVBEEAM-UHFFFAOYSA-N 306.325 2.984 0 40 DFAB Cc1noc(C)c1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 95955372 KCUOCHSRASOENS-KRWDZBQOSA-N 313.401 2.572 0 40 DFAB Cc1nccc(CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)n1 95994901 UZAXBURHJSJYAL-LLVKDONJSA-N 318.343 2.951 0 40 DFAB CC(C)(C)[C@H](NC1CCCCC1)c1nc(-c2nnc[nH]2)no1 95988496 FYOOITDFPSJDHX-LLVKDONJSA-N 304.398 2.864 0 40 DFAB Cc1c(C(=O)O[C@H](C)c2cnn(-c3ccccc3)c2)cnn1C 89544638 ZIDKMAYXABZSLX-CYBMUJFWSA-N 310.357 2.832 0 40 DFAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)C1 89656521 FWDTXHGKFBMPBM-ZBEGNZNMSA-N 324.446 2.582 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)Cc1ccc(-n2cnnc2)cc1 517025096 IOUSRYRASWSDNB-MRXNPFEDSA-N 312.417 2.991 0 40 DFAB CC(C)[C@H](NC(=O)CCS(C)(=O)=O)c1ccccc1Cl 79357954 KIXUJWCHGBZQBX-AWEZNQCLSA-N 317.838 2.588 0 40 DFAB COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)c1 72227750 UIHPIQIYRYEZAA-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Cc1cc([C@@H](O)CNC(=O)CCc2ccccc2F)c(C)o1 1565519294 BXTJGHGMZBQVNI-INIZCTEOSA-N 305.349 2.818 0 40 DFAB CCc1ccc(NC(=O)N(C)[C@H](C)C[S@](C)=O)cc1F 120050918 CFIOAYLLFKUIDR-CFMSYZGJSA-N 300.399 2.619 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc(Cl)cn2)C1 72203550 KFWCEWHUBHBBDU-NSHDSACASA-N 312.801 2.624 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1ccccn1 79478440 HQMQIBZTYDGJSH-UHFFFAOYSA-N 312.398 2.610 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)C2=C(Cl)CCCC2)n1 74806722 BHLIHRYYUCSJHG-UHFFFAOYSA-N 321.808 2.902 0 40 DFAB Fc1ccc(Cc2noc(OCc3noc(C4CC4)n3)n2)cc1 79031592 KQAHEBBATNANPO-UHFFFAOYSA-N 316.292 2.639 0 40 DFAB Cn1nccc1CS(=O)(=O)Cc1cccc2ccccc12 184799924 VDVHCXAAMCNQIQ-UHFFFAOYSA-N 300.383 2.688 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)c2nc3ccccc3s2)o1 49026784 BJXQJYGQBARLKI-LLVKDONJSA-N 302.355 2.661 0 40 DFAB COCCOc1ccc(NC(=O)C(C)(C)Br)cc1 225595201 MEPRJROYQFFGFY-UHFFFAOYSA-N 316.195 2.824 0 40 DFAB CSCC[C@@H]1NC(=S)N([C@H](C)c2ccc(C)s2)C1=O 49021520 NKCSTIUCZIKRPL-ZJUUUORDSA-N 314.501 2.956 0 40 DFAB COC(=O)c1ccc(C)c(NC(=S)NCCCOC(C)C)c1 225375049 DUNCUEVHQDXXBP-UHFFFAOYSA-N 324.446 2.883 0 40 DFAB C[C@@H](C(=O)NCc1ccco1)N1C(=O)CCCc2ccccc21 227168980 XFRRBYLHHDXJDV-ZDUSSCGKSA-N 312.369 2.654 0 40 DFAB O=C(O)CCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 225483629 OYVOPTYKTQLQEK-UWVGGRQHSA-N 313.756 2.954 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2nc3c(s2)COCC3)c1C 96434985 QGNXNQMWQMRWQY-UHFFFAOYSA-N 321.406 2.693 0 40 DFAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)c1 96472542 QFJQJVXSRGMPRI-MJBXVCDLSA-N 311.451 2.807 0 40 DFAB CC1(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CCCC1 96502161 GAKZUHYSSMXEIJ-AWEZNQCLSA-N 310.438 2.751 0 40 DFAB Cc1ccc2[nH]c(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc2c1C 97231774 JRXLRDMDTXIMCB-NEPJUHHUSA-N 300.358 2.768 0 40 DFAB Cc1nc([C@H]2CN(Cc3csc(C(C)C)n3)CCO2)no1 95958029 HQKXVXPXERODMC-GFCCVEGCSA-N 308.407 2.531 0 40 DFAB C[C@H]1CCN(S(=O)(=O)c2cccnc2)[C@H](c2ccco2)C1 96436460 BQYBYBDEZLLMFZ-JSGCOSHPSA-N 306.387 2.837 0 40 DFAB CCC(CC)n1ncc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)O)C2)c1C 578774808 QDZNYSTWEPCWJJ-PIGZYNQJSA-N 321.421 2.735 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)[C@H](C)n2cccn2)cc1 96423368 PMLYWYZEFZUDNN-KGLIPLIRSA-N 301.390 2.763 0 40 DFAB CO[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1Cc1ccccc1 96110184 FTISYSSLYDSEIB-ZWKOTPCHSA-N 317.429 2.519 0 40 DFAB CC(C)Cc1cc(C(=O)O)nc2c(-c3ccccc3)c(=O)[nH]n12 96118468 QPHQSLYJTIZYEY-UHFFFAOYSA-N 311.341 2.586 0 40 DFAB CCc1cc(N)nc(S[C@H](C(=O)OC)c2ccsc2)n1 252510882 ZQLYNVGWGCBMMP-NSHDSACASA-N 309.416 2.689 0 40 DFAB COCCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 257255964 KJOWKKULJGILSX-LNLFQRSKSA-N 316.445 2.550 0 40 DFAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCn2nccc2C1 253472330 LJTBPTOYEXASRA-MRXNPFEDSA-N 305.381 2.710 0 40 DFAB CC(=O)N1CCN(Cc2cccc(C)n2)C[C@H]1c1ccccc1 257287617 PQSVLKNUJSPIIF-IBGZPJMESA-N 309.413 2.795 0 40 DFAB C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cnn2cccnc12 296144924 PVCUKLDCKYHASX-NXEZZACHSA-N 312.295 2.532 0 40 DFAB O=C(NCc1ccccc1F)Nc1ccc(-n2cccn2)nc1 48140558 MOVJUONEUZJRSR-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB c1ccc2c(c1)C[C@H](NC1CCN(c3nccs3)CC1)CO2 89515260 JMTMERCULORPKM-HNNXBMFYSA-N 315.442 2.705 0 40 DFAB OCC[C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 89768326 SCHLWXDLEFHYKH-JTQLQIEISA-N 302.187 2.793 0 40 DFAB CCOc1ccc(-c2cc3c(=O)n(CC4CC4)ccn3n2)cc1 1775968144 KITNOZKKLAKKDM-UHFFFAOYSA-N 309.369 2.972 0 40 DFAB CCCOc1ccc(C(=O)OCCN(C)C)cc1OCCC 5431818 NICBGLGXLGRVPC-UHFFFAOYSA-N 309.406 2.983 0 40 DFAB Cc1nn2c(=O)cc(COc3cccc(C)c3C)nc2s1 13367573 MTAONMBLQWNDDQ-UHFFFAOYSA-N 301.371 2.655 0 40 DFAB NC(=O)c1cccc2c1CCCN2Cc1ncccc1Cl 528407299 LNVOWYZLCCNEAJ-UHFFFAOYSA-N 301.777 2.787 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 15589365 HCPLCGJEDFULAB-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB COC(=O)c1ccsc1NC(=O)Cc1ccccc1OC 20441974 FVYKTHFFNGAPGU-UHFFFAOYSA-N 305.355 2.725 0 40 DFAB c1nc(NCC2CCCCC2)c2ncn(C[C@@H]3CCCO3)c2n1 2298049944 JJQHWZKWIPGRHE-AWEZNQCLSA-N 315.421 2.998 0 40 DFAB CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74069 DXGUMXOGWAWMLJ-UHFFFAOYSA-N 324.446 2.846 0 40 DFAB O=C(c1ccco1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 196579 QIVFNYOWEIHRES-PELKAZGASA-N 302.252 2.533 0 40 DFAB Cc1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 196312 BJDCCXXZZUZKMQ-UHFFFAOYSA-N 308.337 2.538 0 40 DFAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(C)C)c(=O)c12 148682 KJTKYKPOOWUHKP-UHFFFAOYSA-N 308.403 2.988 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 40476652 HWZPLRDKVPWLRN-RYUDHWBXSA-N 316.405 2.570 0 40 DFAB CCOC(=O)Nc1nc(NC(=O)OCC)c(Cl)nc1Cl 1757071 ODASJHNRDRTPJX-UHFFFAOYSA-N 323.136 2.920 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C)cc1 3488043 GUEUPYQEZFOELJ-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CC(C)Oc1ccc(NC(=O)NC2CCN(C)CC2)c(F)c1 69563729 QKPCWTDLQYQKKS-UHFFFAOYSA-N 309.385 2.829 0 40 DFAB O=C(CSc1nnc2n1CCCCC2)NCC1CCCCC1 6098246 ZSQCWYDBDYYYTB-UHFFFAOYSA-N 322.478 2.793 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)NCc1ccccc1C 7895608 MYJOJJNKJAVXPZ-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB O=C(CCN1CC[C@@H]2OCCC[C@@H]2C1)Nc1cccc(F)c1 89775158 LOPJHPSTWFTRLZ-CJNGLKHVSA-N 306.381 2.655 0 40 DFAB O=C(OCc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCC2 21475204 ACHHAVPRGAHQAL-UHFFFAOYSA-N 321.336 2.977 0 40 DFAB CC(C)(C)c1cn2c(n1)[C@H](CNCc1ccc(CO)o1)CCC2 89725141 NJAGZIDCSGYCLF-ZDUSSCGKSA-N 317.433 2.933 0 40 DFAB O=C(Cc1c(Cl)cccc1Cl)NCCCn1ccnc1 32998226 OIQFMSDMYKWFEZ-UHFFFAOYSA-N 312.200 2.939 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9236867 YAVAVLAGHIVIEV-XJKCOSOUSA-N 318.392 2.874 0 40 DFAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCCCCC1 22314853 HUCOVQRDEFSFGZ-HNNXBMFYSA-N 300.402 2.980 0 40 DFAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCC[C@H]1c1ccccc1 22551553 UWFIEYIXCUZXPT-INIZCTEOSA-N 319.368 2.844 0 40 DFAB COc1cc(CNCCc2nc(C)cs2)cc2c1OCO2 42228505 SMIJCXVABJBQMD-UHFFFAOYSA-N 306.387 2.521 0 40 DFAB CCCc1noc(CCC(=O)N[C@H](C)c2ccc(F)cc2)n1 22828487 PBXMFZVPGCGVPM-LLVKDONJSA-N 305.353 2.971 0 40 DFAB CCN(Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O 23995233 TYKIKQUEBCGBER-UHFFFAOYSA-N 315.417 2.721 0 40 DFAB c1ccc2c(Nc3ccc(N4CCOCC4)nc3)ncnc2c1 24061171 NQUGMHHIWPVKNJ-UHFFFAOYSA-N 307.357 2.605 0 40 DFAB Cc1cc2c(nc1C)sc1c(N3CCN(C)CC3)ncnc12 12391798 WNFKAQJRFYXQSU-UHFFFAOYSA-N 313.430 2.608 0 40 DFAB Cn1cc(C(=O)N2CCc3ccccc3C2)c(C(F)(F)F)n1 47244825 YQNIWURTJMKIIX-UHFFFAOYSA-N 309.291 2.637 0 40 DFAB CSCC[C@@H](C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 89895649 KTLWLZXDDBWWCX-OLZOCXBDSA-N 300.468 2.919 0 40 DFAB O=C(NCc1nncn1-c1ccccc1)c1ccc2[nH]ccc2c1 89857636 JYZHQOJVGMIGEM-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB O=C(CCc1cc2ccccc2o1)N1CCC2(CC1)OCCO2 24997235 UROVZNDLYXSOAD-UHFFFAOYSA-N 315.369 2.731 0 40 DFAB Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)nc2c1 12556838 RFSJILJMJVMSBL-LBPRGKRZSA-N 323.352 2.862 0 40 DFAB O=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)ccn1 25666866 XFXSFWLMINCGBM-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 107333173 OHPOFHLXUXSUAU-LDDOYCOJSA-N 324.428 2.751 0 40 DFAB CCCN(CCC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 27270350 ULABXVRIPKFLFR-UHFFFAOYSA-N 319.405 2.562 0 40 DFAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N[C@H](C)c1ccccc1 58018707 ALVWOONLIMKRNJ-VXGBXAGGSA-N 324.384 2.534 0 40 DFAB O=C1C(=O)N(Cc2ccccc2)C(=O)c2[nH]c3ccccc3c21 68605554 IFQLYJCPEMJXRA-UHFFFAOYSA-N 304.305 2.533 0 40 DFAB Cc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)n[nH]1 58330317 LKFLZDQCVLGSRF-UHFFFAOYSA-N 316.430 2.519 0 40 DFAB CCC(NC(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F 2276137 LLWPEXBQNNTPRP-UHFFFAOYSA-N 316.205 2.872 0 40 DFAB COC(=O)[C@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1 12950768 YYNUHKZTGQKFKO-SJORKVTESA-N 309.365 2.795 0 40 DFAB COc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1 12993481 VFQGENYLNQQALV-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCC(C(=O)O)(c2ccccc2)CC1 13186691 DZHTXTXPRTYWIA-OAHLLOKOSA-N 313.397 2.988 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cn1 8513650 MDCYADNSTVEZDQ-LBPRGKRZSA-N 314.341 2.583 0 40 DFAB Cc1ccc(C)n1-c1c(C(=O)NOCc2ccccc2)cnn1C 63678437 DCHRRLIJFGFOOS-UHFFFAOYSA-N 324.384 2.689 0 40 DFAB O=C1CC[C@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)N1 69780622 YAMCDXGDERJSRT-OAHLLOKOSA-N 316.307 2.849 0 40 DFAB C[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cnc2ccccc21 69741330 LQFDLEVLFTXZBY-CABCVRRESA-N 323.400 2.658 0 40 DFAB CCc1cc(C(=O)OC)c(NC(=O)c2noc(C)c2C)s1 13641062 GTWZXSYAWZYSIT-UHFFFAOYSA-N 308.359 2.954 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)NC(=S)N1 4318525 OFGDZPFQCDUMFQ-CQSZACIVSA-N 322.405 2.818 0 40 DFAB CC(C)C[C@@H](CNC(=O)/C=C/c1nccs1)N1CCCC1 69879058 CCSXJUDZXVGGPR-GJBLVYBDSA-N 307.463 2.783 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(I)c1 6285021 WOWMKWVXHJKPSY-XVKPBYJWSA-N 301.127 2.886 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c(O)c1 5225577 YQKFFLGMKWKIGX-UHFFFAOYSA-N 317.316 2.944 0 40 DFAB Cc1ccc(CC(=O)N2CCCC[C@H]2Cn2cccn2)s1 69969243 QFKLOKCNUOSSFL-AWEZNQCLSA-N 303.431 2.877 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cccn2)cc1 6647211 GACXLDUHSYYKIL-UHFFFAOYSA-N 311.370 2.854 0 40 DFAB O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CCCO1 70874440 FMOSELHQVXLVIN-IRXDYDNUSA-N 303.402 2.766 0 40 DFAB COCCNC(=S)Nc1ccc(N2CCCCCC2)cc1 7370022 CTGKUHRZDIIMNW-UHFFFAOYSA-N 307.463 3.000 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)cc1 7428475 HCYWMANWDDKKGA-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB Cc1ccc(-c2ccc(CNCCNC[C@@H](C)O)o2)cc1Cl 19200333 RKZRHOILNQYJJH-CYBMUJFWSA-N 322.836 2.968 0 40 DFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccsc1 71280899 YNDHMPJIWJULFU-LLVKDONJSA-N 319.386 2.940 0 40 DFAB CCOC(=O)N1CCC(NC(=O)C2=C(Cl)CCCC2)CC1 71902858 AYJDXTIMMIWWCB-UHFFFAOYSA-N 314.813 2.790 0 40 DFAB CCC12CN3CC(C)(CN(C1)C3c1cn(C)c3ccccc13)C2=O 96463824 VESJTZYIHUNSMA-UHFFFAOYSA-N 323.440 2.794 0 40 DFAB biogenic O=C(NCc1coc(-c2ccccc2)n1)c1cccc2ccnn12 72143389 UIBFNVLICGKWDO-UHFFFAOYSA-N 318.336 2.919 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 94595293 MILMOHQQJGBYQO-SNVBAGLBSA-N 305.227 2.534 0 40 DFAB COC[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)C1 84157140 SKSKKGRAUAHHAC-HZPDHXFCSA-N 320.433 2.830 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(COC)oc2C)no1 72299111 KERQJCHMEJEPAR-ZDUSSCGKSA-N 319.361 2.657 0 40 DFAB Cc1cc(C(=O)CN2C(=O)CN(C3CCCC3)C2=O)c(C)s1 72281962 GJSGJCLUDLVAMA-UHFFFAOYSA-N 320.414 2.754 0 40 DFAB CC[C@](C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O 97022055 HRHOMTBKKHJOID-OAHLLOKOSA-N 313.419 2.589 0 40 DFAB C[S@@](=O)Cc1ccccc1NC(=O)NCCc1cccs1 97140995 IPXBEUBLGYOASW-NRFANRHFSA-N 322.455 2.991 0 40 DFAB CN1CCN[C@H](Cc2ccccc2-c2cc(F)cc(F)c2)C1=O 72352871 PFLMUBOMMJQMSP-QGZVFWFLSA-N 316.351 2.605 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cc(F)c(F)cc1F 78554220 UDFRUXCTPWCUFB-SECBINFHSA-N 312.291 2.515 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NCc1cccc2c1OCCO2 78553130 SIZYTQVLMGWBIB-LLVKDONJSA-N 301.390 2.659 0 40 DFAB CC(C)[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCC2 78562741 SPHFUKBFAOHXAN-AWEZNQCLSA-N 320.343 2.630 0 40 DFAB CCSCCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 95395843 TXNKVXVLJJOEJY-HOCLYGCPSA-N 321.442 2.892 0 40 DFAB C[C@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1cccn1 95351182 NPOLCBIIRODSRY-SECBINFHSA-N 317.299 2.751 0 40 DFAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)c[nH]1 78967425 KWFWPBOYJMHOAR-UHFFFAOYSA-N 322.386 2.609 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c3c(cccc13)CC2 84718316 LHBPMKPYSRUFNQ-QGZVFWFLSA-N 308.381 2.888 0 40 DFAB COc1ccc(NCCc2ccc(C)cc2)cc1-n1nnnc1C 95454351 YGSDUGUMDDYXCF-UHFFFAOYSA-N 323.400 2.942 0 40 DFAB O=C(c1csnn1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95434150 JBOVTZAEKFPORQ-WCQYABFASA-N 321.402 2.640 0 40 DFAB O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccnc(-n2ccnc2)c1 95956205 ADTGJYADDOBHRE-HOTGVXAUSA-N 322.343 2.692 0 40 DFAB CC1CCC2(CC1)OC[C@@H](CNC(=O)c1ccncc1Cl)O2 95991317 SXTYLASPBGXNIW-BWBHSNQOSA-N 324.808 2.787 0 40 DFAB CN(C(=O)NCc1ccnc(N2CCCCCC2)c1)C1CC1 95959788 WMJPQDOXSFIFCP-UHFFFAOYSA-N 302.422 2.766 0 40 DFAB C[C@H](c1ncc(C(C)(C)C)o1)n1nc(-c2ccco2)oc1=O 95990794 HKIULRGRNZPITK-SECBINFHSA-N 303.318 2.991 0 40 DFAB O=C(O)CCCCCCNC(=O)c1cncn1-c1ccccc1 95949218 VXEWSNWHZSEIGJ-UHFFFAOYSA-N 315.373 2.637 0 40 DFAB CCC[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccccn1 95974460 KJYKXRUGWXCDPC-KBMXLJTQSA-N 305.422 2.725 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 408728638 QLCGJJWSYYRAKQ-GVAFMPQTSA-N 303.745 2.563 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@H]1CCC[C@@H]1O 89548215 QKSZKMLFPNYCCH-NEPJUHHUSA-N 320.414 2.945 0 40 DFAB COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OC 409014399 PLCHLWDZLPIHJK-SDNWHVSQSA-N 324.336 2.801 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CCCOC1 182622474 QOLWQIXAZJEAQH-GJZGRUSLSA-N 320.437 2.832 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(F)c(Cl)c1)CC(=O)O2 524733745 MHHCHPBLWQVYPN-SNVBAGLBSA-N 321.735 2.927 0 40 DFAB COCC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375225 JUVQBUSLAVABSD-GFCCVEGCSA-N 318.402 2.592 0 40 DFAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccn2)cc1 38849938 IFOLPNSUACUFEY-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB Cn1ccc2c(-c3ccc(N4CCSCC4)nn3)ccnc21 77407674 AFQCEVCFZSQEJV-UHFFFAOYSA-N 311.414 2.584 0 40 DFAB CC[C@H](C)NC(=O)c1cc(-n2cnnc2)ccc1Br 35684164 FVULUGHGZKLNTA-VIFPVBQESA-N 323.194 2.558 0 40 DFAB CCNC(=O)CCCC(=O)Oc1ccc(Br)cc1 76808456 XDBMJGFAUWXTHG-UHFFFAOYSA-N 314.179 2.661 0 40 DFAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccccc1 44845276 OOKCSTHTTMHIKU-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](CO)C1 191282240 NICRAHKPRMTSQF-MRVPVSSYSA-N 319.188 2.848 0 40 DFAB Cc1ccc(C(=O)NCC2CCCCC2)cc1NS(C)(=O)=O 224082515 LHNSHJMRDTZNCE-UHFFFAOYSA-N 324.446 2.677 0 40 DFAB O=C(NCCNc1ccc(-n2cccc2)nn1)Nc1ccccc1 75172227 SAWLEALUWNADHU-UHFFFAOYSA-N 322.372 2.501 0 40 DFAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCn1ccc3ccccc31)C2 225519711 DRJNFYGMLJALTF-OAHLLOKOSA-N 322.412 2.594 0 40 DFAB CCc1nnc2sc(-c3ccc(N)c(Br)c3)nn12 133436825 XVWBKINNOQXWKX-UHFFFAOYSA-N 324.207 2.760 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@H](C)[C@H]2CCCO2)on1 96437756 CCDOTEVEFPDXLX-IAQYHMDHSA-N 309.410 2.945 0 40 DFAB Cc1ncccc1C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 96408973 DZDHKAFPYKZZHO-QGZVFWFLSA-N 314.385 2.641 0 40 DFAB C[C@@H](Cn1cncn1)NC[C@@H](C)c1cccc(Br)c1 96493273 YPSJAAZQLMNSOC-NEPJUHHUSA-N 323.238 2.822 0 40 DFAB Cc1occc1CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96425142 NMCXSMRUYVKVFK-HUUCEWRRSA-N 313.353 2.779 0 40 DFAB O=C(C[C@H]1CCc2ccccc21)NC1CCC(C(=O)O)CC1 97228580 MSIOWDBQRGVCSY-SHARSMKWSA-N 301.386 2.866 0 40 DFAB Cc1ncc(CNC(=O)N[C@@H](C)CCc2cccn2C)s1 96439570 OUAPVAHFYUSNKZ-NSHDSACASA-N 306.435 2.611 0 40 DFAB Cc1cccc(C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 96412736 YDOIWWIFEOIRMN-ZDUSSCGKSA-N 304.434 2.897 0 40 DFAB c1cncc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c1 96255236 IXKSUOKLEIWWMT-UHFFFAOYSA-N 317.396 2.534 0 40 DFAB CCN1CCOC[C@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 96049595 UHEPUVVZACRTQO-LJQANCHMSA-N 318.461 2.630 0 40 DFAB CCc1sc(NS(C)(=O)=O)nc1-c1ccc(OC)cc1 252497412 QGUYMTIWLRCJOQ-UHFFFAOYSA-N 312.416 2.753 0 40 DFAB CN1C(=O)CCC[C@@H]2CN(CCOc3ccc(F)cc3)CC[C@H]21 257284283 PCAVJVZCKGLDAS-RHSMWYFYSA-N 320.408 2.537 0 40 DFAB O=C(c1cccnc1)N1Cc2nccn2C[C@H]1c1ccccc1 257271893 NAFOJVUKVVAUMT-INIZCTEOSA-N 304.353 2.675 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 257306187 STFKPHPQFWKOIH-OAHLLOKOSA-N 311.385 2.570 0 40 DFAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2ccccc2)n1 257343601 ZTQYSDTXOGEKSU-IBGZPJMESA-N 324.428 2.656 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c1 256045832 BEYUNWHZESCYAF-UHFFFAOYSA-N 300.362 2.654 0 40 DFAB Cc1nc([C@@H]2CCCN2Cc2ccc(F)cn2)cc(N(C)C)n1 257213504 CHVNAEYIFUZYPT-INIZCTEOSA-N 315.396 2.722 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cnc(O)c(Cl)c1 257248734 JEYJIGKDAYQMTR-LBPRGKRZSA-N 320.780 2.840 0 40 DFAB CNc1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257235977 HAHYNILHEWVOFW-SXSDINLZSA-N 323.396 2.737 0 40 DFAB Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccncc2)[C@H]1O 585289724 WEYLGHKMBKYJNT-QXAKKESOSA-N 312.413 2.841 0 40 DFAB C[C@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1nncn1C 46962577 UMLYWPCRDNDQKB-SWLSCSKDSA-N 313.405 2.595 0 40 DFAB O=C(NC[C@@H](O)Cc1ccccc1)c1c(F)cccc1Cl 70957175 BHRVKTPFWDDYAW-LBPRGKRZSA-N 307.752 2.813 0 40 DFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cnns1 95966708 XZWGZCRDCNTTAC-ZDUSSCGKSA-N 323.393 2.509 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2cnn(C)c2C)C12CCCCC2 98018829 JKJFYVLJHKZTHF-LSDHHAIUSA-N 305.422 2.586 0 40 DFAB C[C@H](O)[C@@H]1CCCCN1C(=O)c1sccc1Br 195552663 QEVIVBYMMRDUML-WPRPVWTQSA-N 318.236 2.886 0 40 DFAB C[C@@H](CNC(=O)c1cc2ccccc2[nH]1)CC1(C)OCCO1 96418617 LVZUIRLLWGDANQ-GFCCVEGCSA-N 302.374 2.687 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1 5076807 HODKHQPSNLBUIK-JTQLQIEISA-N 303.289 2.715 0 40 DFAB CN1CCN(c2ccccc2/C=C2\C(=O)Nc3ccccc32)CC1 12369265 GVZDDZHOCZYDBT-VKAVYKQESA-N 319.408 2.931 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CNCc1ccccc1)OCCO3 13999166 NQIRDEQHXKBKQQ-UHFFFAOYSA-N 322.364 2.589 0 40 DFAB COC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 14673976 SMCOVEOKHFPWEC-NSHDSACASA-N 313.353 2.689 0 40 DFAB Cc1cccc(CS(=O)(=O)Nc2cccc(CN(C)C)c2)c1 153889584 FHKKFTKFWPLZTD-UHFFFAOYSA-N 318.442 2.999 0 40 DFAB CCNc1nnc(SC[C@H](O)COc2ccccc2)s1 10344547 DHXFBIUUYUBNSE-SNVBAGLBSA-N 311.432 2.502 0 40 DFAB CCOc1ncccc1CNC(=O)c1ccc(C(C)=O)s1 30308412 KALZKUGYNDXOJT-UHFFFAOYSA-N 304.371 2.674 0 40 DFAB CCCCSc1nnc2n(CC)c(=O)c3ccccc3n12 6310764 JCVSQTLFYHODGO-UHFFFAOYSA-N 302.403 2.956 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)c2cccc(F)c2)cc1 13715383 KTFIFKUYBIYVJB-UHFFFAOYSA-N 300.333 2.709 0 40 DFAB CCN1CCC[C@H]1Cn1c(S)nc2cc(Cl)ccc2c1=O 20645214 NTWLEPIIPRMICB-NSHDSACASA-N 323.849 2.823 0 40 DFAB Cn1nc(-c2ccccn2)cc1CNC(=O)/C=C/c1cccs1 1775966770 YFYMNIIGDRAXAH-BQYQJAHWSA-N 324.409 2.873 0 40 DFAB CCOC(=O)c1cnc2c(-c3ccccc3)c(CC)nn2c1N 9287597 CLAOMPPZBATOHA-UHFFFAOYSA-N 310.357 2.718 0 40 DFAB OCc1nc2ccccc2n1C[C@H](O)c1ccc(Cl)cc1 40490165 VSXGJFAMPWRUJM-HNNXBMFYSA-N 302.761 2.916 0 40 DFAB COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1 426433 HDIRSVJGBJGHFV-UHFFFAOYSA-N 309.373 2.814 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@@H](c2cccc3cccnc23)N1 11376498 HGOBCGIJOJGVHG-INIZCTEOSA-N 314.352 2.681 0 40 DFAB O=C(CCN(CCCCO)C1CC1)Nc1cccc(Cl)c1 70009288 PRFQWGMFBPUDMM-UHFFFAOYSA-N 310.825 2.906 0 40 DFAB COc1cc(CN(C)C(=O)NC[C@H]2CCCO2)ccc1SC 69326875 QUZJFNUGYVFRCS-CYBMUJFWSA-N 324.446 2.738 0 40 DFAB CCOc1ccccc1C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C 69350717 OMRPJUXIJIYEJZ-QKVFXAPYSA-N 311.447 2.637 0 40 DFAB CC(=O)NC1=NC[C@@H](CSc2nc3ccccc3s2)S1 2044457 YAVUFTWCYQNOJJ-VIFPVBQESA-N 323.468 2.996 0 40 DFAB CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1 3630877 LMKPHJYTFHAGHK-KRWDZBQOSA-N 319.445 2.960 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c(=O)c2ccccc12 211449 XXWQPLZMNFKMMK-UHFFFAOYSA-N 317.707 2.968 0 40 DFAB CN1C(=O)N(CC(=O)c2ccc(F)cc2)C(=O)C12CCCCC2 6006207 CORPNQCLWYUMPK-UHFFFAOYSA-N 318.348 2.605 0 40 DFAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)c1ccccc1 4945359 ISEFOZMPDDSQRW-UHFFFAOYSA-N 318.379 2.665 0 40 DFAB CCN(CC)C(=O)[C@H](C)n1cc(C(=O)OC)c2ccccc21 6629820 JIZBUDVMVARLBK-LBPRGKRZSA-N 302.374 2.857 0 40 DFAB C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nccs1 20744838 GETVJADPKKCFMF-VIFPVBQESA-N 315.354 2.646 0 40 DFAB CCN(CC)CCN(CC(C)C)C(=O)[C@H](C)OCC(C)C 58161963 XITRWLIYDCTYTK-INIZCTEOSA-N 300.487 2.874 0 40 DFAB CN(C(=O)Cn1ccnn1)c1ccccc1Oc1ccccc1 83869775 SJLRELDWJHJFBC-UHFFFAOYSA-N 308.341 2.733 0 40 DFAB CC(C)n1cnnc1SCC(=O)N1c2ccccc2C[C@@H]1C 11719923 QMGDMQJNZMNQEQ-LBPRGKRZSA-N 316.430 2.929 0 40 DFAB Cn1cc(C[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C2)cn1 89755460 XWZXILNSYGZKTG-MRXNPFEDSA-N 323.440 2.933 0 40 DFAB O=C(Oc1ccc(N2CCCC2=O)cc1)[C@H]1Cc2ccccc2O1 29767976 QWWPTLNWXQBACS-QGZVFWFLSA-N 323.348 2.723 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccncc1)c1cccs1 32879715 NZDBPNCGRGPGNT-RISCZKNCSA-N 317.414 2.588 0 40 DFAB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)NC1=S 9189135 IHEUQZQWOUASAE-WJDWOHSUSA-N 324.405 2.953 0 40 DFAB CSCC[C@H]1NC(=S)N([C@@H](c2ccccc2)C2CC2)C1=O 54372830 MFHCQJLMOIDSOM-KGLIPLIRSA-N 320.483 2.976 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc(-n3cccn3)nc2)cc1 12545516 GEPXBLWMZOSYGC-UHFFFAOYSA-N 322.368 2.847 0 40 DFAB NC(=O)[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 12561827 BUOLNFHOUOWJCV-RBUKOAKNSA-N 317.392 2.987 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1C 43462476 IHRAXJKXNRMLSC-UHFFFAOYSA-N 318.446 2.751 0 40 DFAB CCCCCNC(=O)c1cn(C)c2ccc(OCC)cc2c1=O 22237345 HNMREEMXMUQQIM-UHFFFAOYSA-N 316.401 2.857 0 40 DFAB Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccsc1)N(C)C 25331741 NAMYVUDZPCDKAQ-HNNXBMFYSA-N 321.446 2.705 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@@H](c2nccs2)C1 171642406 LZCCETIISMWNFQ-LLVKDONJSA-N 303.387 2.567 0 40 DFAB CN(C)CC(C)(C)CNC(=O)c1csc(-c2ccco2)n1 44006813 ZVJOSLJVFDZJBI-UHFFFAOYSA-N 307.419 2.721 0 40 DFAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC1CC1 3226672 IPZUHSIAYALBJM-UHFFFAOYSA-N 321.804 2.974 0 40 DFAB CCOc1ncccc1NC(=O)CSc1nc(C)cc(C)n1 27511920 NCBOBWYUTDKREE-UHFFFAOYSA-N 318.402 2.618 0 40 DFAB Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc21 62001667 UUYXCWNTVFKNBQ-LIRRHRJNSA-N 312.413 2.946 0 40 DFAB biogenic CN(C)c1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cn1 44951616 GAPFTWUSMRANJI-OAHLLOKOSA-N 311.389 2.912 0 40 DFAB CCOC(=O)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 58345014 AVJJRLNAUNJCRU-UHFFFAOYSA-N 315.373 2.616 0 40 DFAB Cc1nccc(C(=O)N[C@@H](COCC(C)C)c2ccco2)n1 58344730 PUASLZNARQSWMN-AWEZNQCLSA-N 303.362 2.522 0 40 DFAB Cn1c(N)nnc1SCc1csc(Cc2ccccc2)n1 58439384 HGYODVFOHBMYLB-UHFFFAOYSA-N 317.443 2.737 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccccc1)c1ccc(F)cc1 3398612 ILVOBPCYIMTEFM-GFCCVEGCSA-N 301.317 2.860 0 40 DFAB COc1ccccc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 10899963 LEVVEUHVUFVIGS-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB COc1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12781394 XIXQQXLRHBAPFL-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB O=C(O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CC1 89813408 GUNWUISQKPCHQG-QWHCGFSZSA-N 307.777 2.909 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCC[C@@H](n2ccnc2)C1 69660204 OARICBBCILVVRG-GFCCVEGCSA-N 302.403 2.694 0 40 DFAB O[C@H](CNc1ncccn1)COc1cccc(Cl)c1Cl 49057567 IGFZFTDZJOUGLE-SECBINFHSA-N 314.172 2.635 0 40 DFAB CNC(=O)c1cccc(OCc2nc(-c3cccc(C)c3)no2)c1 69655697 OEKKAYZQHNDSDK-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB C[C@H](NCc1csc(-c2ncccn2)n1)[C@H](C)n1cccn1 69655970 VBFGFFQUWXBRMX-RYUDHWBXSA-N 314.418 2.536 0 40 DFAB C[C@H](Sc1nncs1)C(=O)Nc1nc2c(s1)CCC2 49486096 KJDNFDCSUARVKA-LURJTMIESA-N 312.445 2.603 0 40 DFAB Cc1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cnn1C(C)C 92277498 QRNUQVBWCPDYLV-OAHLLOKOSA-N 321.808 2.889 0 40 DFAB O=C(O)CSCC(=O)Nc1nc(-c2cccs2)cs1 6847286 MSQFOTZXIKSGSG-UHFFFAOYSA-N 314.413 2.628 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 8849156 AFZTTZDDMZHHQZ-SFYZADRCSA-N 312.163 2.815 0 40 DFAB COc1ccccc1NC(=O)C[C@@H](C)NCCCNC(C)(C)C 7984416 UIFSFLQATRSTLZ-CQSZACIVSA-N 321.465 2.780 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)c2cccc(C)c2)c1 8193427 DYPUHXUNTMGBET-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB CCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9364100 IABBVPMAGAKELZ-HNNXBMFYSA-N 301.390 2.528 0 40 DFAB Clc1snnc1CN(Cc1cccnc1)C[C@@H]1CCCO1 96308218 RUKFRYZTLKOJRD-LBPRGKRZSA-N 324.837 2.768 0 40 DFAB Cc1nc(-c2cccc(C(=O)OC[C@H]3CCC(=O)N3)c2)cs1 96444004 LRMJSZDIIQSPFS-CYBMUJFWSA-N 316.382 2.554 0 40 DFAB CCc1ncncc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C 96435975 ONGDPMYJXRJYKS-QGZVFWFLSA-N 312.417 2.906 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C)c1C 9503792 LNIJJDACIJYNMB-UHFFFAOYSA-N 301.342 2.988 0 40 DFAB CCCc1cc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)[nH]n1 71865818 FIFKPFSJEQTOEI-HNNXBMFYSA-N 315.421 2.562 0 40 DFAB Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCC[C@H]2C)cc1 71856474 OGJXIHRXKGXFFI-HIFRSBDPSA-N 320.458 2.972 0 40 DFAB Cc1ccc([C@@H]2CN(Cc3cc(=O)c(O)co3)CCO2)c(C)c1 75787056 AZWGGNLMWBVVGG-SFHVURJKSA-N 315.369 2.536 0 40 DFAB Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@H]1O 72298288 LXJUTYHURCOESE-GXFFZTMASA-N 312.207 2.648 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282815 OLZPTNOQDIKWNB-CHWSQXEVSA-N 317.364 2.722 0 40 DFAB C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 22540665 QHTJHAZQSNBMRL-SNVBAGLBSA-N 304.296 2.781 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)NC[C@](C)(O)c1ccco1 76087718 JGEAUKWUEDYRHR-PXAZEXFGSA-N 320.364 2.557 0 40 DFAB CC[C@@H](NC(=O)CCOCc1ccccc1)C1CCOCC1 72307193 CBEMXTRZXSPHQF-QGZVFWFLSA-N 305.418 2.915 0 40 DFAB C[C@@H](Nc1ncnc2c1cnn2CCO)c1cc2ccccc2o1 97200333 CZZRHKRDJKSRRT-LLVKDONJSA-N 323.356 2.738 0 40 DFAB Cc1cccc(NC[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)n1 97200553 XHHXKHBTLZTSOX-ZDUSSCGKSA-N 313.405 2.584 0 40 DFAB O=C(NCCc1cccs1)N1CC[C@H](Oc2cccnc2)C1 95416343 VOFJYXMVXNZHRN-AWEZNQCLSA-N 317.414 2.549 0 40 DFAB OCc1nnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)s1 79092162 MLJSEPVOAHFWSI-SNVBAGLBSA-N 316.386 2.556 0 40 DFAB C[C@H]1CCC[C@H](C)N(C(=O)NCCCOC2CCOCC2)C1 74543797 CTKPLLMVEMIPFZ-GJZGRUSLSA-N 312.454 2.792 0 40 DFAB Cc1ccc(CNC(=O)Nc2nc3c(s2)COCC3)s1 89656582 MHVFNNHXHWHFIV-UHFFFAOYSA-N 309.416 2.907 0 40 DFAB Cc1ccc(-c2nc(C(N)=O)nn2-c2ccc(Cl)cc2)cc1 408693741 CVENGKOUZJLQHH-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB Cc1cccc(OCC(=O)N2CCN=Cc3cc(N)ccc32)c1C 73642461 SFQMDLGGGVMLSQ-UHFFFAOYSA-N 323.396 2.730 0 40 DFAB COc1ccc2ccccc2c1[C@H](CN)N1C[C@@H](C)O[C@H](C)C1 36108405 RHKIELOGOLFZBF-CPUCHLNUSA-N 314.429 2.957 0 40 DFAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(C)C)cc1 32072870 BBIMIQFCADBNQO-AWEZNQCLSA-N 312.479 2.819 0 40 DFAB c1ccc2[nH]c(C3CCN(c4ncnc5nc[nH]c45)CC3)nc2c1 41025821 CCEWSWXPWCAVLJ-UHFFFAOYSA-N 319.372 2.613 0 40 DFAB COC(=O)c1ccc(C(=O)N(Cc2cccn2C)C2CC2)cc1 62018266 XHOLFRVPEDFQGJ-UHFFFAOYSA-N 312.369 2.617 0 40 DFAB COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)Cc1ccccc1F 188153778 SKDUDZPQJMVTJO-WFASDCNBSA-N 318.396 2.619 0 40 DFAB Cc1ccc(C2=NO[C@@H]3CN(Cc4ccncc4C)C[C@@H]23)cc1 72343278 VKNIUXSAIYILOP-QZTJIDSGSA-N 307.397 2.933 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)Cc1cc(Cl)ccc1Cl 79330411 LRTHSPZIUMXYJN-MRVPVSSYSA-N 304.173 2.604 0 40 DFAB C[C@]1(C(=O)NCc2ccccc2)NC(=O)c2ccccc2S1 41128156 KITVWFHOBCDLJD-KRWDZBQOSA-N 312.394 2.555 0 40 DFAB C[C@@H](CN(C(=O)[C@@H]1CCc2cc(F)ccc21)C1CC1)C(=O)O 573387242 DLPOAZVNNNMSOM-ZUZCIYMTSA-N 305.349 2.567 0 40 DFAB Cc1cc2cc(CNC(=O)[C@H]3CCc4[nH]cnc4C3)ccc2[nH]1 225514518 MHCKXZYVPMVLKA-ZDUSSCGKSA-N 308.385 2.621 0 40 DFAB Cc1ccc(/C=C(\C(=O)N2CCCC2)n2ccccc2=O)cc1 199404294 XSGXAGRMHXMBOF-SAPNQHFASA-N 308.381 2.777 0 40 DFAB COc1ccc2[nH]cc(C(=O)N(C)c3ccccc3)c(=O)c2c1 44901894 JGQFOXSFJBPBRB-UHFFFAOYSA-N 308.337 2.813 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2ccc(N)cc2F)CC1 82046459 JDNYMHLVBPANAR-UHFFFAOYSA-N 309.385 2.901 0 40 DFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NC1CCCCCC1 225748293 GRTXQDPRDDZDSX-UHFFFAOYSA-N 316.376 2.980 0 40 DFAB COC(=O)[C@@H](N)Cc1c[nH]c2c(OCc3ccccc3)cccc12 44670727 PMPQMTDWLDFJLB-INIZCTEOSA-N 324.380 2.790 0 40 DFAB C[C@H](N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)C1CC(F)(F)C1 529553947 KDXOBYIMYTZDPX-YHAQOWFVSA-N 313.344 2.861 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCCC3)CC(=O)N2C)cc1 96181375 ZPGAPTGZZGIRDU-FUHWJXTLSA-N 314.429 2.917 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCC(F)(F)F)C1 96431067 IYZGEUSKLLHGGO-SNVBAGLBSA-N 324.343 2.845 0 40 DFAB FC(F)(F)c1ccnc(N2CC[C@]3(CCN3CC3CC3)C2)n1 96075981 IAVZOCKTIHTILV-AWEZNQCLSA-N 312.339 2.560 0 40 DFAB Cc1ccc2c(n1)N(C)CCN(Cc1ccc3c(c1)OCO3)C2 96260858 JMRYDRNOOOLSPW-UHFFFAOYSA-N 311.385 2.571 0 40 DFAB CC[C@H]1CCCN(C(=O)NCc2nnc3n2CCCCC3)CC1 95398205 JHOWIDBPACNOHH-AWEZNQCLSA-N 319.453 2.726 0 40 DFAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228759 LAODHJKOTTUCKY-KRWDZBQOSA-N 322.474 2.711 0 40 DFAB CC[C@@H](NC(=O)NC[C@H](C)c1cccs1)c1noc(C)n1 96446143 OEYSKLGOLMWWJJ-GXSJLCMTSA-N 308.407 2.994 0 40 DFAB Cc1cccc(S(=O)(=O)CCCOc2cc(C)c(C)nn2)c1 97379345 LBIJHZQOPPLBJQ-UHFFFAOYSA-N 320.414 2.645 0 40 DFAB c1ccc(NCc2cnc3n2CCN(Cc2ccoc2)CC3)nc1 96197104 FUYPLSPXIQOYNS-UHFFFAOYSA-N 323.400 2.542 0 40 DFAB Cc1ccsc1CN1CCOC[C@@H]1CCc1cnccn1 257336642 YPIGIUQGHFKPTI-HNNXBMFYSA-N 303.431 2.680 0 40 DFAB O=C(c1ccccn1)N1CC2(CO[C@H](Cc3ccccc3)C2)C1 257267177 MGFPQFCQSFARMI-MRXNPFEDSA-N 308.381 2.555 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257229335 FXRWHGSZIUSUHB-CQSZACIVSA-N 301.365 2.573 0 40 DFAB O[C@@H]1CCN(c2cnccn2)C[C@H]1Cc1ccc(Cl)cc1 585273115 ASEHSECYBKNJLP-UKRRQHHQSA-N 303.793 2.560 0 40 DFAB CNC(=O)Nc1ccc(Br)cc1Br 48470660 BIJNJVSJDCMRCX-UHFFFAOYSA-N 307.973 2.963 0 40 DFAB CNC(=O)c1ccc(CSCCC(=O)N2CCCCC2)cc1 97081153 BHJVEVMZWXRWOO-UHFFFAOYSA-N 320.458 2.682 0 40 DFAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CCC1 5336124 STZUWIPYHHLGEY-UHFFFAOYSA-N 300.280 2.717 0 40 DFAB O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 897301 UKTAZPQNNNJVKR-CEUNDQEZSA-N 324.380 2.519 0 40 DFAB fda CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 15011528 JOKLMTHILOZBCZ-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB Fc1ccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 1888906390 DEHCSNDQHSEQPS-ZDUSSCGKSA-N 313.336 2.888 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Cc2cc[nH]n2)C1 1848352379 LYAHMZPKTZXFAM-ZDUSSCGKSA-N 308.385 2.986 0 40 DFAB CNc1nccnc1[C@H]1CN(Cc2cccc3[nH]ccc23)CCO1 1848353832 GVFDJIDOYYNYEV-MRXNPFEDSA-N 323.400 2.573 0 40 DFAB CC(C)CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1849137637 YJKLFOLRZZXGEM-UHFFFAOYSA-N 317.408 2.904 0 40 DFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953030380 HSASZUZBUAVPQI-QGZVFWFLSA-N 300.427 2.826 0 40 DFAB COc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 240266 KFXNITKYSNUJLC-UHFFFAOYSA-N 310.309 2.793 0 40 DFAB CCCS(=O)(=O)N1CCN=C1SCc1ccccc1C 2711500 YXQVHCWAHXLFHB-UHFFFAOYSA-N 312.460 2.640 0 40 DFAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 4156713 CVYWVAYSMDKNGF-OCVGTWLNSA-N 323.348 2.643 0 40 DFAB O=S(=O)(NCc1cncc(C2CC2)c1)c1ccccc1F 575620339 MEHUZANZAKSPEJ-UHFFFAOYSA-N 306.362 2.577 0 40 DFAB O=C(/C=C/c1ccccc1)NCCn1cc(-c2cccnc2)cn1 585148340 ABCCEAHLLYGIOE-CMDGGOBGSA-N 318.380 2.775 0 40 DFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)on1 12422398 VKVQJBZZCUKEMQ-SSDOTTSWSA-N 319.386 2.521 0 40 DFAB CC(C)CN(CC(C)C)C(=O)CCNC(=O)c1ccccc1 10474071 VQADJMAXOWXDRK-UHFFFAOYSA-N 304.434 2.947 0 40 DFAB Cc1cc(O[C@H](C)c2nc(-c3nonc3N)no2)ccc1Cl 32683 YYFKXIPQVQIXBZ-SSDOTTSWSA-N 321.724 2.804 0 40 DFAB O=C(CCc1ccccc1)NCc1ccc(N2CCCC2)nc1 30299954 ANYOANMNISUMMZ-UHFFFAOYSA-N 309.413 2.931 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 11079883 UKGGCSCTPOMOSS-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB C[C@H](CNc1cncc(-n2cccn2)n1)N(C)c1ccccc1 69508695 MGGDQZBIXJGYSC-CQSZACIVSA-N 308.389 2.599 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1F 7705181 BKHZOEMCEFDNLJ-UHFFFAOYSA-N 321.373 2.549 0 40 DFAB CCC(CC)c1nnc(NC(=O)N[C@H](C)Cn2cccn2)s1 40526763 NJFNDSJGLVYOAE-SNVBAGLBSA-N 322.438 2.848 0 40 DFAB C[n+]1ccc(I)c2ccc(Cl)cc21 1691283 PBHAKPXDUAQEAB-UHFFFAOYSA-N 304.538 2.922 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)NCCC1=CCCCC1 2661882 XUILGHWLWVDBSE-VIFPVBQESA-N 312.464 2.608 0 40 DFAB CC(C)NC[C@@H](O)COCCOc1ccc(C(C)(C)C)cc1 4279117 ORWAENHUHUVZBY-MRXNPFEDSA-N 309.450 2.738 0 40 DFAB Cc1nnc(SCC(=O)NCC(C)C)n1-c1ccc(F)cc1 6969530 ZVGWWSHGUJBFHD-UHFFFAOYSA-N 322.409 2.579 0 40 DFAB Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3Cl)nc2[nH]1 100641576 QJUOYQXCPQNPCF-UHFFFAOYSA-N 324.171 2.645 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C[C@@H](C)O1 32879070 WLMZRHKFBJTCGJ-PHIMTYICSA-N 319.792 2.980 0 40 DFAB CN1C(=O)c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2C1=O 103038100 JIHHFFNEROBKCH-UTUOFQBUSA-N 312.369 2.677 0 40 DFAB Cc1cc(S(=O)(=O)NCCCOC2CCCC2)ccc1F 105619613 VXUZSVOEODLUHZ-UHFFFAOYSA-N 315.410 2.762 0 40 DFAB Cc1cc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)on1 100661793 GLVPTSNFJDDIJJ-SREVYHEPSA-N 302.725 2.695 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)n2ccnc2)cc1OC 52693106 OOIFQZPLORWMMW-QWHCGFSZSA-N 317.389 2.729 0 40 DFAB C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(F)c(C(N)=O)c1 33172970 RKMJSAKDIJXJFE-RXMQYKEDSA-N 310.272 2.505 0 40 DFAB CC1(C)NC(=O)N(CCCN2CCC[C@H]2c2cccs2)C1=O 41625907 NUXIMTGESVVMLN-LBPRGKRZSA-N 321.446 2.606 0 40 DFAB COc1ccc2nc(C(=O)N3CCO[C@H]4CCC[C@H]43)ccc2c1 53377025 ZUOFTFCKWBPHEE-SJORKVTESA-N 312.369 2.637 0 40 DFAB C[C@@H]1CN(CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 103502670 YGFDZIMIYUYXIH-HUUCEWRRSA-N 312.413 2.738 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@H]1C[C@@H]2CC[C@@H]1O2 104315311 MLKLBSWOHSOFPD-JDFRZJQESA-N 301.386 2.932 0 40 DFAB CC(=O)N[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCCC1 16467403 ATLVZLNHDFSRIF-HNNXBMFYSA-N 308.809 2.651 0 40 DFAB CCNC(=O)[C@H]1CCCN(Cc2ccc(SC)c(OC)c2)C1 68816854 WLOGOJVADXXFTN-AWEZNQCLSA-N 322.474 2.765 0 40 DFAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCSC1=O 830008 GNSSMYZHYCQVSU-VIFPVBQESA-N 320.197 2.521 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1cccs1 100216158 TYXOECIHPVJNOM-VXGBXAGGSA-N 301.415 2.684 0 40 DFAB O=C(O)[C@H]1C[C@H]1C(=O)N1CC2(CCCC2)c2c(F)cccc21 89800178 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324.380 2.509 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)c1ccnc(-n2ccnc2)c1 48224116 KJPGHYQENFPWSI-UHFFFAOYSA-N 318.380 2.729 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2cccc(C)c2)cc1F 48439517 VEKTYARIEMLRON-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB CC(C)(C)c1noc(CSCc2ccc(C(N)=O)cc2)n1 62640123 WEKQKSQJQPEPLY-UHFFFAOYSA-N 305.403 2.899 0 40 DFAB O=C1CCCCN1Cc1cccc(NC(=O)N2CCCC2)c1 65281589 ANQFZGAMXYSJFP-UHFFFAOYSA-N 301.390 2.827 0 40 DFAB CCCn1nnnc1CN1CCC[C@@H]1c1ccc(OCC)cc1 39987631 RWTUFYLNUFWKIH-MRXNPFEDSA-N 315.421 2.819 0 40 DFAB CCCCC[C@H](C)NC(=O)N[C@@H](CCSC)C(=O)OC 5216051 JWDWDRRWUNYSCU-RYUDHWBXSA-N 304.456 2.549 0 40 DFAB CC(C)[C@H](NC(=O)NCCNc1cnccn1)c1cccs1 65440493 OSCIIETWRQPYSI-AWEZNQCLSA-N 319.434 2.647 0 40 DFAB Cc1noc(C)c1NC(=O)NC[C@H](O)c1ccc(Cl)cc1 69740874 FGQDFIYARBINMX-LBPRGKRZSA-N 309.753 2.800 0 40 DFAB COc1ccccc1CNC(=O)CCOc1ccccc1F 15653609 QPOIUVDQGYVVNW-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCc2cncnc2C1 69969357 OTEPFVNHXZCJTA-LBPRGKRZSA-N 307.357 2.646 0 40 DFAB C[C@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCNC1=O 68224605 FKZJQGVWXBFAAI-FZMZJTMJSA-N 304.415 2.738 0 40 DFAB COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnc(C)cn1)[C@@H]2C 96005917 IJKRGTJXBIRPOV-CHWSQXEVSA-N 311.385 2.942 0 40 DFAB CCc1noc([C@@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2OC)n1 75605342 MIRIFWWWMMWYAY-VXGBXAGGSA-N 319.409 2.581 0 40 DFAB Cc1cc(CNC(=O)NCCc2c[nH]c3c(C)cccc23)no1 76086394 KBEPAZBWUMGQPX-UHFFFAOYSA-N 312.373 2.815 0 40 DFAB C1=C[C@H](Sc2nnc(N3CCOCC3)n2C2CC2)CCC1 71888714 QRLAREBXIYIRBW-ZDUSSCGKSA-N 306.435 2.650 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccccn2)CC1 71824359 JHXDHIPMAZNRED-OALUTQOASA-N 321.424 2.530 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 71827109 HIBRRMJCUVJOKD-CQSZACIVSA-N 317.364 2.857 0 40 DFAB Cc1noc(C)c1CC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 71827252 FBKGSGGUOQIUCG-SJCJKPOMSA-N 314.385 2.823 0 40 DFAB c1ccc(-c2nnc(CN3CCC[C@@H]3Cn3cccn3)o2)cc1 71875415 WUCZMCHPUCSOJP-OAHLLOKOSA-N 309.373 2.598 0 40 DFAB C[C@H]1CCC[C@H](C)C1NC(=O)c1cccc(S(C)(=O)=O)c1 72274702 VFQMFUWBNZEUMC-RYUDHWBXSA-N 309.431 2.645 0 40 DFAB CC(C)c1nc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)no1 72299953 HSKRSKGPXZAEGP-LBPRGKRZSA-N 317.393 2.833 0 40 DFAB CC(C)N(C(=O)Cc1ccon1)c1ccc(Br)cn1 97010885 YNXFGWLQVAGJLU-UHFFFAOYSA-N 324.178 2.816 0 40 DFAB CC(=O)c1ccc(C(=O)N2C[C@@H](C)NC(=O)c3ccccc32)cc1 97046183 SIXCEWPDIZHGIY-GFCCVEGCSA-N 322.364 2.668 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)c1cnccn1 97107058 BKFLJORFDUVJLM-UHFFFAOYSA-N 320.146 2.694 0 40 DFAB COc1ccc2cc(NC(=O)c3nccn4ccnc34)ccc2n1 78966008 QHAQYZBJRCWKPP-UHFFFAOYSA-N 319.324 2.538 0 40 DFAB COCC(=O)Nc1ccc(Nc2nc(C)nc(C)c2C)cc1 95416452 DLYJIUQPIRFTKT-UHFFFAOYSA-N 300.362 2.730 0 40 DFAB O[C@H](COc1cccc2[nH]ccc12)Cn1cnc2ccccc21 95414566 PRAWQFINLLQYTE-ZDUSSCGKSA-N 307.353 2.958 0 40 DFAB O=C(C1=COCC1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434199 NKLRMPRMVVEUFV-HUUCEWRRSA-N 305.374 2.779 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 95400455 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313.357 2.662 0 40 DFAB COc1ccc(-c2cnn([C@H](C)C(=O)NCC(C)C)c2)cc1 227154279 QIIUQVAOIRXMTB-CYBMUJFWSA-N 301.390 2.892 0 40 DFAB CCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@@H]2C)n1 225884457 DHNKLBUTKAUGGD-NSHDSACASA-N 323.466 2.560 0 40 DFAB CC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 42646625 CMSPGQBHODKXRS-UHFFFAOYSA-N 304.390 2.861 0 40 DFAB CCn1cc(NC(=O)[C@@H]2CCCc3c(O)cccc32)ccc1=O 190150531 XEOAZEVQQXDQGU-OAHLLOKOSA-N 312.369 2.632 0 40 DFAB COC[C@@H]1CN(Cc2ccoc2)Cc2c1cnn2CC1CC1 96197913 USCZLYQMDWINKF-HNNXBMFYSA-N 301.390 2.632 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cnn(C)c2)s1 96433859 ULFKXXOFULNHES-JTQLQIEISA-N 307.423 2.972 0 40 DFAB Cc1nc(-c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cs1 98210557 LETLPUSIDZHQSF-LLVKDONJSA-N 302.355 2.556 0 40 DFAB O=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96116857 HXJNVBCYEDQYKU-UHFFFAOYSA-N 306.325 2.659 0 40 DFAB CC(C)C(=O)N1CC[C@]12CCCN(C(=O)c1ccccc1)C2 96239469 ZJDYJAOWBITFSH-SFHVURJKSA-N 300.402 2.550 0 40 DFAB C[C@H](CNC(=O)Cc1cccc(O)c1)Oc1ccc(F)cc1 96441039 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C[C@H](CC(=O)O)CC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 578549562 RNUMWCRPQGVCPS-VHSXEESVSA-N 309.328 2.924 0 40 DFAB O=C(C1CC1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 52166835 NIYUVQKDUOJYCF-UHFFFAOYSA-N 313.323 2.549 0 40 DFAB C[C@H]1CN(CCNCc2csc(C(C)(C)C)n2)C[C@@H](C)O1 67187096 LTYXQFJXOPSFLS-BETUJISGSA-N 311.495 2.639 0 40 DFAB COc1ccccc1CC(=O)N[C@@H](C)COc1cccc(F)c1 58158236 IRQXORGGMKLHHC-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB O=C(NCc1nc[nH]n1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 89764339 VXVNJJOABNQBHQ-WDEREUQCSA-N 311.172 2.531 0 40 DFAB O=C1CCC[C@@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 5603215 IETLIBMCSNSIRC-OXJNMPFZSA-N 321.376 2.790 0 40 DFAB NC(=O)Cn1cc(CNC2(c3ccccc3)CC2)c2ccccc21 12361862 XALFMALTPGUPJO-UHFFFAOYSA-N 319.408 2.906 0 40 DFAB Nc1nc(N)c2nc3c(nc2n1)CCCCCCCCCC3 13283498 DALYAYWASLGRMT-UHFFFAOYSA-N 300.410 2.804 0 40 DFAB Cn1cccc1/C=C1\SC(=O)N(c2ccc(O)cc2)C1=O 13483279 PVFNQLBPZQCZDT-LCYFTJDESA-N 300.339 2.972 0 40 DFAB O=C(CC1CCCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 19404265 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O=C(NC[C@H](O)c1ccccc1F)Nc1cc(F)ccc1F 40525758 WMJQVCZELNEHMV-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB COc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1 6493040 BZDYYTLLIKEMJT-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c(C)c1 101547562 BYSLFSDESAQTQU-LMRQPLJMSA-N 304.390 2.532 0 40 DFAB CC(=O)N[C@H](C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 69537844 LMOASYZOUKYECJ-CQSZACIVSA-N 310.397 2.803 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 385999 XQIQWNRMABKJEU-MRXNPFEDSA-N 318.373 2.936 0 40 DFAB COc1ccc(C(=O)O[C@H](C)CN2CCCCC2)cc1OC 375670 MRDPVMGERQSZDB-CYBMUJFWSA-N 307.390 2.735 0 40 DFAB CCN1C[C@H](C(=O)Nc2cc(-c3ccncc3)ccc2C)CC1=O 101847371 PWDLYBHNULPQCG-MRXNPFEDSA-N 323.396 2.864 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1ncccc1C)c1cccs1 21383571 FJHZLCJXFMFELJ-GFCCVEGCSA-N 303.387 2.658 0 40 DFAB Cc1c(C(=O)NCCC(=O)N2CCCC2)oc2c(F)cccc12 32721373 SFAJTOIGKZFOIG-UHFFFAOYSA-N 318.348 2.623 0 40 DFAB CC(C)N1C[C@@H](C(=O)N[C@H](C)c2cc3ccccc3o2)CC1=O 32816340 JZOYZCKTGBBQTN-OCCSQVGLSA-N 314.385 2.867 0 40 DFAB CCc1ccc([C@@H](C)N[C@@H]2CCCN(c3cccnn3)C2)o1 89732938 GUNHWVFMVBGXRC-ZIAGYGMSSA-N 300.406 2.952 0 40 DFAB CC(C)(C)c1nnc(SCCCNC(=O)C(F)(F)F)o1 89761538 GPFORARVAHOKBA-UHFFFAOYSA-N 311.329 2.528 0 40 DFAB O=C([C@H]1SCCc2sccc21)N1CC[C@]2(CCOC2)C1 89885351 MPRDJYVOGBZGNK-ZFWWWQNUSA-N 309.456 2.718 0 40 DFAB CCOc1nc2sc3c(c2c2ncnn12)CC(C)(C)OC3 12391683 QBIKJJQMPLPQPH-UHFFFAOYSA-N 304.375 2.589 0 40 DFAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccccc1)C2=O 22560503 AOGBKAUNCFZXID-GFCCVEGCSA-N 308.337 2.618 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)CCc1ccc(-c2ccccc2)[nH]1 89937965 HUPKYEYILWCZJO-OAHLLOKOSA-N 311.429 2.777 0 40 DFAB CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23108716 ITYFGXMNVRFIIK-XJKSGUPXSA-N 314.429 2.689 0 40 DFAB O=C(Nc1cn[nH]c1)Nc1ccccc1CN1CCSCC1 61788073 SURPCHGQRBMAIJ-UHFFFAOYSA-N 317.418 2.603 0 40 DFAB Cc1cccnc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 12523120 LPEIAZSQOXMVNS-CYBMUJFWSA-N 313.357 2.643 0 40 DFAB C[C@@H](O)c1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 53755947 YKHQHABHGGHJKT-LLVKDONJSA-N 314.341 2.790 0 40 DFAB CCS(=O)(=O)c1ccc(N2CCc3ccccc3C2)cc1N 42783785 DHNXUIBDBLXWOI-UHFFFAOYSA-N 316.426 2.625 0 40 DFAB O=C1O[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)Cc2ccccc21 42797900 SVQQIMCPNXDMNS-IAGOWNOFSA-N 322.364 2.527 0 40 DFAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc2c(c1)CCO2 24470397 JQDNOGSRSXLWOQ-UHFFFAOYSA-N 322.364 2.766 0 40 DFAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(C)CC1 20492648 SNIWXDBHTAVCTH-QGZVFWFLSA-N 312.413 2.771 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](C(C)C)N(C)C 106763091 JPNHBXSTKDXAHI-ARFHVFGLSA-N 304.434 2.501 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)n1 106784768 BSOWFQLYDMQOEF-HIFRSBDPSA-N 315.421 2.986 0 40 DFAB Cc1cc2ccccc2n1CC(=O)OCC(=O)c1cccn1C 25190916 MSSKAFANIHTVLW-UHFFFAOYSA-N 310.353 2.714 0 40 DFAB COc1cc(CNc2nc(C3CC3)no2)cc(OC)c1OC 76682840 RYLMFAUCGRLROZ-UHFFFAOYSA-N 305.334 2.585 0 40 DFAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 12654483 KBKDSLDZRHDZOG-YIONKMFJSA-N 300.354 2.808 0 40 DFAB CCc1nc(CN2C(=O)CN(c3ccccc3)C2=O)cs1 58063534 INPXRYOTDWFTNN-UHFFFAOYSA-N 301.371 2.674 0 40 DFAB Cc1cc(CN2CCN(c3nccc4sccc34)CC2)on1 44972888 XNUWVOHNPCUHSG-UHFFFAOYSA-N 314.414 2.915 0 40 DFAB CN(Cc1nnc2n1CCCCC2)c1cnc2ccccc2n1 44978776 LSNWEPULQLQUMZ-UHFFFAOYSA-N 308.389 2.584 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)c1ccnc(-n2ccnc2)c1 58327862 LQBITEBCHTYUJF-CYBMUJFWSA-N 310.357 2.611 0 40 DFAB CC(C)Cc1nc(CS(=O)(=O)C/C=C/c2ccccc2)no1 48691748 QAJGXXQXPJLRGM-RMKNXTFCSA-N 320.414 2.896 0 40 DFAB CN(C)[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)C1CC1 48776284 BEDGYVRWSKREAL-MRXNPFEDSA-N 302.397 2.646 0 40 DFAB COc1ccc(Cn2nc(C)n(-c3ccccc3F)c2=O)cc1 4072955 MHWMTTNJOQCTKD-UHFFFAOYSA-N 313.332 2.538 0 40 DFAB Cc1nn(CCOc2ccccc2)c(=O)n1-c1ccccc1F 4072948 SNNKFWKQLUZWTD-UHFFFAOYSA-N 313.332 2.561 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc3[nH]ncc23)C1 63831136 VKIXKMIDIIJXGY-OKILXGFUSA-N 314.433 2.661 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1CCCC[C@@H]1C 68962502 IVMFWZYIAGUCPE-ZDUSSCGKSA-N 303.406 2.766 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(OC)c1 13938112 CYFILADIZCCOQO-LBPRGKRZSA-N 321.398 2.743 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(-n3ccnc3)nn2)c1 65625135 KWZFEGIQCUEHLC-CQSZACIVSA-N 321.384 2.770 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccccc1Br 14285836 XZPWVJAEXUPHCP-RYUDHWBXSA-N 320.186 2.900 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1CCOc1ccc(F)cc1 6561435 IWCATUXEEFDZSF-UHFFFAOYSA-N 320.364 2.849 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 70004970 JQNNYFJYHQOMCL-OAHLLOKOSA-N 305.422 2.623 0 40 DFAB O=C(CN(Cc1ccccc1F)C1CC1)NCc1cccnc1 69967451 SIYWEUDYXWJYCX-UHFFFAOYSA-N 313.376 2.502 0 40 DFAB Fc1ccccc1Cc1nnc2sc(-c3ccncc3)nn12 8715038 KETGKOANYQKTHL-UHFFFAOYSA-N 311.345 2.978 0 40 DFAB CCC[C@H](O)CNC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 71911803 LXAZCPZEMYSBIF-AWEZNQCLSA-N 323.393 2.562 0 40 DFAB CCC[C@H](O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C 71911741 NDBHUGDWRPIUKF-AWEZNQCLSA-N 316.405 2.772 0 40 DFAB CC(=O)CCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 18415743 JPBCRIKJZJKGPL-SFHVURJKSA-N 310.353 2.586 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)s1 27973980 HQDGUOXQAOYVBH-SSDOTTSWSA-N 304.297 2.867 0 40 DFAB O=C1COc2ccc(C(=O)Nc3ccc(F)cc3F)cc2N1 8924780 ZJFZEVRITNCUGI-UHFFFAOYSA-N 304.252 2.548 0 40 DFAB CN1C(=O)C[C@H](NCc2cccnc2)[C@@H]1c1ccc(Cl)cc1 92849926 XTJXJAHGVLMISK-RDJZCZTQSA-N 315.804 2.797 0 40 DFAB CN(Cc1cccs1)C(=O)COc1ncnc2sccc12 9689739 IZCWKWQVRWLJCN-UHFFFAOYSA-N 319.411 2.790 0 40 DFAB COCc1c(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)oc2ccccc12 78894664 JIUWXKGCFBICMP-IUODEOHRSA-N 316.401 2.601 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCC(CCCO)CC1 96007921 WURNTVQAHDIKIZ-BFYDXBDKSA-N 310.482 2.554 0 40 DFAB COC(=O)c1cc(CNC(=O)c2ccccc2F)ccc1OC 9783130 FBMJHRPYQUXGNT-UHFFFAOYSA-N 317.316 2.551 0 40 DFAB c1cc2c(cc1C1=NN=C(NC[C@H]3CCCO3)SC1)CCC2 9417044 NMTFZMQJKXRQPV-OAHLLOKOSA-N 315.442 2.751 0 40 DFAB Cc1cc(F)c(C(=O)NCCSCC(C)(C)O)cc1F 84077291 CRRXLPJCGHAGKN-UHFFFAOYSA-N 303.374 2.507 0 40 DFAB C[C@H]1CCC[C@@H](C)CN1C(=O)CCOc1ccc(C(N)=O)cc1 96451354 XWEJNYZBRLTIPX-KGLIPLIRSA-N 318.417 2.592 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 71842138 ISNCRKZJXFRWCS-TZMCWYRMSA-N 309.431 2.789 0 40 DFAB O=C(c1cccn1Cc1cccs1)N1CCN(C2CC2)CC1 71836631 CVUXIVKLYGWFHT-UHFFFAOYSA-N 315.442 2.518 0 40 DFAB Cc1ncsc1COC(=O)[C@@H]1CCCN1c1nccs1 97164832 GVZJAEFHJKJXOO-JTQLQIEISA-N 309.416 2.620 0 40 DFAB Cc1ccc(S(=O)(=O)NCCN(C)CCC2CCCC2)cc1 72304975 NZGMGOUCRYVPQW-UHFFFAOYSA-N 324.490 2.785 0 40 DFAB C[C@@H]1CN([C@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 22145779 RIFUGEVYTBABST-JTNHKYCSSA-N 302.340 2.814 0 40 DFAB O=C(N[C@@H](CCO)c1cccs1)[C@H]1OCCc2ccccc21 95445762 UFOSMIQOJOUOPF-HOCLYGCPSA-N 317.410 2.602 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2ccc3nccnc3c2)CCS1 95403686 ZCFSZWIWRFCHBU-OAHLLOKOSA-N 301.415 2.843 0 40 DFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1 84821406 LIQRJURXUICAII-HZPDHXFCSA-N 301.386 2.564 0 40 DFAB O=C(NCCc1ccccc1)Nc1cnn(Cc2ccccn2)c1 75126401 OABOBRQWJFIUNF-UHFFFAOYSA-N 321.384 2.691 0 40 DFAB COc1cc(C)ccc1CNC(=O)c1ccc(-n2cnnc2)cc1 89623537 RLHLNAKKSHIKHQ-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB COc1cc(S(=O)(=O)NCc2ccccc2)c(C)cc1C 30768859 OUJRKTLHOFSBML-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB CC[C@H](F)C(=O)NCC1[C@@H]2CN(Cc3ccc(C)c(F)c3)C[C@@H]12 1506813849 PHCORBIBBKSOJT-JYJNAYRXSA-N 322.399 2.676 0 40 DFAB NC[C@H](c1cccc(Cl)c1)N1CCC(O)(C(F)(F)F)CC1 35287526 YCXYSXQNJZJTBA-GFCCVEGCSA-N 322.758 2.729 0 40 DFAB Cn1cc(CCC(=O)Nc2ccc(F)cc2OCC2CC2)cn1 76919882 SEXWBCCVBRLXOZ-UHFFFAOYSA-N 317.364 2.919 0 40 DFAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 30882695 RLHBOLBJLORGTA-BZSNNMDCSA-N 316.445 2.935 0 40 DFAB biogenic,in-vitro CC(C)(C)CCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064833 GUDMUAXMCNNHDG-UHFFFAOYSA-N 322.371 2.730 0 40 DFAB CCS(=O)(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 32501795 JWFKVBIBOLKEPY-UHFFFAOYSA-N 313.810 2.904 0 40 DFAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2CCO)n1 72382634 ADNMMOSEMQDVTF-ZDUSSCGKSA-N 319.434 2.504 0 40 DFAB CO[C@]1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC[C@@H](C)C1 225634018 XHGXSDMGGHGYBY-SJKOYZFVSA-N 321.373 2.684 0 40 DFAB COC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1cccc(Cl)c1 570801756 ACDLVIGCEUPLJH-CQSZACIVSA-N 319.792 2.600 0 40 DFAB Cc1cc(N2CCCCCC2)nc(NC(=S)NC2CC2)n1 226004360 BZXWRKAXNIQYHB-UHFFFAOYSA-N 305.451 2.614 0 40 DFAB Cc1occc1CN(C)C(=O)NCC1CCC2(CC1)OCCO2 192289925 QWPJOHOFTQKFFH-UHFFFAOYSA-N 322.405 2.663 0 40 DFAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225824919 WGIISQHGSTUNDT-LBPRGKRZSA-N 317.389 2.983 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 225712725 SPQAOOUJELOKGO-KNUWBNEDSA-N 307.296 2.816 0 40 DFAB O=C(O)c1cc(Br)c(-c2cccc(F)c2)[nH]c1=O 96517595 UTRCMNVWLCCVHD-UHFFFAOYSA-N 312.094 2.642 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C1 96481304 CQNZUNNJRFIZRY-PMPSAXMXSA-N 306.475 2.689 0 40 DFAB Cc1cc(CC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)no1 96475385 HFQFRZKVTNOTKS-MRXNPFEDSA-N 316.401 2.673 0 40 DFAB CC(C)[C@@H](N)CCN(C)C(=O)c1sccc1Br 97228976 NBGLRQBTMSJISM-JTQLQIEISA-N 319.268 2.956 0 40 DFAB CCN(Cc1ccoc1)c1ccc(-c2nc(C)cc(=O)[nH]2)cn1 95408823 AVDSCSXUZXCIGW-UHFFFAOYSA-N 310.357 2.760 0 40 DFAB Cc1cc(CNC(=O)NC[C@H](C)Oc2ccccc2C)no1 96439448 CYHFYHDASHYPHU-ZDUSSCGKSA-N 303.362 2.558 0 40 DFAB Cn1cc(CCC(=O)N2CCCC[C@@H]2C(=O)O)c2ccccc21 97050030 GJHSHDKRECBBNX-MRXNPFEDSA-N 314.385 2.577 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nncs2)C12CCCC2 96419844 BFHOYNXQOKGAGE-GHMZBOCLSA-N 310.423 2.740 0 40 DFAB Cc1ccc2n1CCN(C(=O)c1cc(-n3cccn3)ccn1)[C@H]2C 96454936 HNZWFFYQBWRWHI-AWEZNQCLSA-N 321.384 2.594 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)oc(C)c1C 96495134 BYCURBSHWQIXEP-LBPRGKRZSA-N 302.378 2.624 0 40 DFAB CC[C@](Br)(C(=O)c1ccc(F)cc1)S(C)(=O)=O 96518681 JXQWIVMQPCGGTM-LLVKDONJSA-N 323.183 2.554 0 40 DFAB O=C(c1cscn1)N1CCC2(CCN(CC3CC3)CC2)CC1 96047292 LPHLUBZEIPSWLB-UHFFFAOYSA-N 319.474 2.871 0 40 DFAB Cn1cnc(CN2CCC[C@H](Cc3nccn4cccc34)CC2)c1 257333009 XZQSROQRYMMHDT-INIZCTEOSA-N 323.444 2.913 0 40 DFAB CC(=O)N1CCN(Cc2cccc(C)n2)C[C@@H]1c1ccccc1 257287618 PQSVLKNUJSPIIF-LJQANCHMSA-N 309.413 2.795 0 40 DFAB O=C(Cc1cncnc1)Nc1cnccc1Oc1ccccc1 252479692 BKFPNCDRABONQY-UHFFFAOYSA-N 306.325 2.845 0 40 DFAB Cc1nn(C)c2nc([C@@H]3CCCN(Cc4cccn4C)C3)ccc12 257292369 QLEPMWRAYLYQNV-OAHLLOKOSA-N 323.444 2.995 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@@H](c2ccnc(O)n2)C1 257203798 ARRDAXPKAWOOMB-GFCCVEGCSA-N 317.414 2.583 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)NCCc2nncn2C2CC2)CC1 253370011 KZUMMPKUIDBBJV-HDJSIYSDSA-N 304.438 2.734 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2csc(C)n2)nc(C)n1 257286652 PMKSALHEOZLENT-CQSZACIVSA-N 303.435 2.929 0 40 DFAB COc1ncc(-c2nc(-c3ccc(OC)c(F)c3)no2)c(C)n1 252497160 QABXJNWWOPPZAK-UHFFFAOYSA-N 316.292 2.658 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260767378 NGYFKOPNESUJHS-NHCYSSNCSA-N 315.822 2.816 0 40 DFAB CCCn1cc(C(=O)N2CCCCC[C@@H]2c2noc(C)n2)cn1 378622592 XXNFUHKGYBTABX-CQSZACIVSA-N 317.393 2.742 0 40 DFAB COC(=O)C[C@@H](Cc1nc2ccccc2n1C)C(F)(F)F 575422219 AMJKTGBCGQJBHF-SECBINFHSA-N 300.280 2.857 0 40 DFAB Cc1cnc([C@H](C)NC(=O)N2CCN(C)c3ccccc3C2)o1 679313517 QFWAGKXRPBYHIM-ZDUSSCGKSA-N 314.389 2.706 0 40 DFAB C[C@@H]1CN(C(=O)NCc2nc3ccccc3s2)C[C@@H](C)O1 44892617 QEZBDVHJHGGVNB-GHMZBOCLSA-N 305.403 2.615 0 40 DFAB Cc1nc(NCc2cccc(OC(F)F)c2)c2cnn(C)c2n1 50932216 XYJKJAGFTNSUPI-UHFFFAOYSA-N 319.315 2.885 0 40 DFAB C[C@@H](Cc1ccsc1)NS(=O)(=O)Cc1cccc(F)c1 68897985 FJBBAYIGXDLFRD-NSHDSACASA-N 313.419 2.938 0 40 DFAB O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 70874444 FMOSELHQVXLVIN-SJORKVTESA-N 303.402 2.766 0 40 DFAB CO[C@@]1(CNC(=O)CCSc2ccccc2)CCSC1 96097596 UYZONXAPLHEZSP-OAHLLOKOSA-N 311.472 2.807 0 40 DFAB Fc1ccc2ncnc(N3CCN(C4CCCC4)CC3)c2c1 77303007 JQDHNYGVJAZVKQ-UHFFFAOYSA-N 300.381 2.834 0 40 DFAB Cn1cccc1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)c(F)c1 97036470 CHUUTFNSHZYNSU-GFCCVEGCSA-N 324.739 2.763 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)NCc1ccon1 95440291 SXOIOALBRQILIW-UHFFFAOYSA-N 323.780 2.769 0 40 DFAB O=S1(=O)CCCN(Cc2cc(Cl)ccc2Cl)CC1 96424223 QWWYOZZYNMLSTR-UHFFFAOYSA-N 308.230 2.614 0 40 DFAB Cn1nccc1C(=O)N[C@H](Cc1cccs1)c1ccccn1 19289190 GKOLAIYRIOXTJX-CQSZACIVSA-N 312.398 2.590 0 40 DFAB CCn1cc(-c2cncn2CCc2ccc3c(c2)OCCO3)cn1 19719623 PMBBJKXTXFJIGC-UHFFFAOYSA-N 324.384 2.780 0 40 DFAB O=C([C@H]1OCCc2ccccc21)N1CCCC[C@H]1c1ncc[nH]1 158341253 YYIRMRQXDFQPRF-HOTGVXAUSA-N 311.385 2.777 0 40 DFAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 205706155 ZOYQCFKGZBPBPA-MDWZMJQESA-N 319.382 2.983 0 40 DFAB COc1ccc(CC2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)cc1 154876644 CMPHUFQZYGIUDA-QZTJIDSGSA-N 316.445 2.604 0 40 DFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 8477182 JPEMHVGESWWLLD-UKTHLTGXSA-N 318.760 2.744 0 40 DFAB CC(C)N(CC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 242649041 RSLRWQQPIWGGFH-JOCQHMNTSA-N 314.426 2.617 0 40 DFAB Cc1cc(C)c2ccc(N3CC(Cn4ccnc4C)C3)nc2n1 1889149039 HHJQEJBQQDVETH-UHFFFAOYSA-N 307.401 2.888 0 40 DFAB CC(C)c1nccn1CC1CN(c2ncnc3c2CCCC3)C1 2087122340 XTACAXMMUBNDNY-UHFFFAOYSA-N 311.433 2.812 0 40 DFAB O=c1c2c(nc3n1CCCS3)O[C@H](c1ccccc1)CC2 533426 APKVCVYYRAXFJS-ZDUSSCGKSA-N 300.383 2.805 0 40 DFAB COc1ccc(OC)c(-n2c(S)nnc2-c2ccco2)c1 6659493 JLDKWHKAKMXQHR-UHFFFAOYSA-N 303.343 2.833 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2o1 10255973 LFXIYGBGWSWRLF-HNNXBMFYSA-N 320.348 2.750 0 40 DFAB Cc1ccnc(SCCCNC(=O)Nc2nccs2)n1 10220882 WMAPVRJWWCQKPC-UHFFFAOYSA-N 309.420 2.545 0 40 DFAB Brc1cccnc1N1CC(COc2cccnc2)C1 2298049123 PIZGAOBLOCYPPC-UHFFFAOYSA-N 320.190 2.754 0 40 DFAB CC(C)C[C@@H]1COCCN1C(=O)Nc1nnc(C(C)C)s1 73029738 XTSRBDKRYBWSIM-LLVKDONJSA-N 312.439 2.940 0 40 DFAB C[C@@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 73059509 LRJIWWWQLSKREH-NWDGAFQWSA-N 305.403 2.971 0 40 DFAB COc1ccc(CCNC(=O)CNc2cc(F)ccc2F)cc1 40007952 OUIYURIEZQIBJY-UHFFFAOYSA-N 320.339 2.744 0 40 DFAB COC(=O)c1cccc2c1CCCN2C(=O)c1scnc1C 40139085 KPRADMAJHKMKCV-UHFFFAOYSA-N 316.382 2.831 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478428 MYDNQPDNWYHYEI-LBPRGKRZSA-N 305.765 2.639 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC(N2CCCC2)CC1 58908880 MKENCKUKESPBBD-UHFFFAOYSA-N 323.440 2.864 0 40 DFAB O=S(=O)(c1ccc2ccccc2c1)N1CCCn2nccc21 36619554 RCSWDYSAXKALIN-UHFFFAOYSA-N 313.382 2.635 0 40 DFAB O=C(NCc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 889710 JPLRLIONACOSFZ-HNNXBMFYSA-N 303.745 2.796 0 40 DFAB CCN(CC)[C@H](CNC(=O)Nc1nncs1)c1ccccc1 40525257 GIYCHXLHLOCVHO-CYBMUJFWSA-N 319.434 2.743 0 40 DFAB Cc1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n(C)n1 40504858 LJQARVMCYPZPOO-OAHLLOKOSA-N 315.373 2.539 0 40 DFAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1 4385155 FWCYLHIOLZMJTP-ZDUSSCGKSA-N 313.357 2.591 0 40 DFAB CC(C)CCn1c(CCNC(=O)CCCO)nc2ccccc21 11692524 BRDLJLVBYJGGEP-UHFFFAOYSA-N 317.433 2.514 0 40 DFAB CN(Cc1ccco1)C(=O)CSc1ccc2c(c1)OCCO2 6559691 CVSJLTXNAISSBA-UHFFFAOYSA-N 319.382 2.802 0 40 DFAB CCOc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 69489428 CQZDOTGSXOMFPC-IAGOWNOFSA-N 302.418 2.784 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2ncsc2c1 2629743 ZZDASGFGVQSVIU-UHFFFAOYSA-N 312.350 2.955 0 40 DFAB Cc1ccnc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CC2)c1 69519835 KLIRLKCAJQTILO-UHFFFAOYSA-N 323.396 2.519 0 40 DFAB O=C(Nc1cccn(Cc2ccccc2)c1=O)N1C[C@H]2CC[C@H]1C2 102684043 OHCRHWLDTYKJAK-HOTGVXAUSA-N 323.396 2.913 0 40 DFAB CC(C)(C)c1csc(Cn2nc(-c3ccco3)oc2=O)n1 89725248 ZZDIYPNQCJMSBG-UHFFFAOYSA-N 305.359 2.899 0 40 DFAB CC(C)NC(=O)Cc1ccc(NC(=O)N[C@H]2C=CCCC2)cc1 89885254 WXYVBXLPLGCOGF-HNNXBMFYSA-N 315.417 2.984 0 40 DFAB CC[C@H](CO)NC[C@H](O)Cn1c2ccccc2c2ccccc21 572316 JOFWMVWLYRLQSC-CABCVRRESA-N 312.413 2.516 0 40 DFAB CC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)oc2c1 557809 BMNJLEQWLAMZIL-UHFFFAOYSA-N 309.325 2.967 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)NCc3cccs3)ccc21 22506723 AEUYUGWXRGJKTC-UHFFFAOYSA-N 301.371 2.589 0 40 DFAB C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 42463934 YYBUJSMNOJGESV-WMLDXEAASA-N 314.429 2.555 0 40 DFAB O=C(NCc1ccc(Cl)s1)NC[C@@H](O)c1ccccc1 47681674 PYMBUNUTNUDLGC-GFCCVEGCSA-N 310.806 2.934 0 40 DFAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@@H](C)C1 12540665 UCHZGLURTGJZSQ-OLZOCXBDSA-N 312.421 2.990 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)n1 54661114 MBJNKPGNPXIXQS-VIIAAUOXSA-N 315.348 2.937 0 40 DFAB COc1ccc(CSCC(=O)NCc2ccccn2)cc1 20237842 QAQYPKDXJQRCKZ-UHFFFAOYSA-N 302.399 2.640 0 40 DFAB O=C(Nc1ccon1)c1ccc(Cn2cc(Cl)cn2)cc1 27969698 DOVLXVMANOVDGL-UHFFFAOYSA-N 302.721 2.825 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccccc1 3271072 SHVDXABTMVONKI-GFCCVEGCSA-N 301.317 2.860 0 40 DFAB O=C(N[C@]1(C(=O)O)CCSC1)c1ccc(Cl)cc1Cl 44422613 ULZHLULBTGAAOP-GFCCVEGCSA-N 320.197 2.684 0 40 DFAB CN(C)[C@H](CNC(=N)NCc1ccccc1)c1cccs1 57752141 QLUQJVFDEIDEOS-CQSZACIVSA-N 302.447 2.665 0 40 DFAB CC1CCN([C@@H](C)CNC(=O)CSCc2ccncc2)CC1 58283602 OLLICFWQBMHRQA-HNNXBMFYSA-N 321.490 2.551 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1C 12765644 UOHZJCAGUCAMCK-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB Cc1ncc2c(n1)CCN(C(=O)N[C@H]1CCc3ccccc31)C2 48262602 RIIFYMTYRHNIHM-KRWDZBQOSA-N 308.385 2.540 0 40 DFAB C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 58421709 PWMNTSPRSLXMNW-ONGXEEELSA-N 303.280 2.799 0 40 DFAB CCn1nc(C)c(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1C 68166334 KSMRDILIHPSIJM-AWEZNQCLSA-N 317.364 2.913 0 40 DFAB O=C(NC1CCN(C(=O)CCCc2cccs2)CC1)C1CC1 36391094 VSSCMDPPMJIQHD-UHFFFAOYSA-N 320.458 2.588 0 40 DFAB CN1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)CC1 36358209 PBJWAYIMTVJHGV-UHFFFAOYSA-N 303.793 2.518 0 40 DFAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCCC1 10709767 QHNKXXVEKUKOEN-JTQLQIEISA-N 322.459 2.647 0 40 DFAB Cc1ccc(-c2nnn(Cc3nnc(-c4cccs4)o3)n2)cc1 58860007 HQJMDPIRFGPSKU-UHFFFAOYSA-N 324.369 2.808 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1ccc2c(c1)CCC2 3406093 HDPDTVPNNSVVEE-UHFFFAOYSA-N 324.409 2.949 0 40 DFAB CCCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1=O 3429561 UGWRSNDKNGOZTD-UHFFFAOYSA-N 309.728 2.698 0 40 DFAB CC(=O)NC(=S)Nc1c(F)cc(F)cc1Br 21596512 GGBAIPKLGQTCSE-UHFFFAOYSA-N 309.135 2.560 0 40 DFAB Cn1c(=O)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 12953896 MHBDAFPBLISZQM-OAHLLOKOSA-N 302.761 2.727 0 40 DFAB COc1ccccc1CN1C(=O)N[C@H](CCc2ccccc2)C1=O 7781964 RSTDHPXFXZNHHD-MRXNPFEDSA-N 324.380 2.748 0 40 DFAB CCNC(=O)c1ccc(NCCCc2nc3ccccc3[nH]2)nc1 80970335 JLQCXIGYAWKLQM-UHFFFAOYSA-N 323.400 2.752 0 40 DFAB Fc1ccc(CN2CCN(Cc3cccnc3)CC2)c(F)c1 91077031 KIODZAJCWREOGL-UHFFFAOYSA-N 303.356 2.678 0 40 DFAB Cc1nc2sc3c(NN)ncnc3c2c2c1COC(C)(C)C2 4310784 UBXWUEUMQQZSOE-UHFFFAOYSA-N 315.402 2.685 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)c(C)c1 8099196 JZUCLINJEIGDKC-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB O=C(NC1CC1)[C@H](Sc1nncs1)c1ccc(F)cc1 14085264 UGIMVOBBHGYILW-LLVKDONJSA-N 309.391 2.789 0 40 DFAB O=S1(=O)N=C(NCc2ccccc2Cl)c2ccccc21 14015770 WERHHNYFHGBJRY-UHFFFAOYSA-N 306.774 2.579 0 40 DFAB CCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccccn1 65500327 WNIGPHRVOVSRIH-UHFFFAOYSA-N 319.449 2.859 0 40 DFAB CN(CCCNc1ccccc1)C(=O)NCCc1ccccn1 65554709 XYYANBYWTVLXKM-UHFFFAOYSA-N 312.417 2.768 0 40 DFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CCCOc1ccccc1 14114283 UHZSHRMUZSRBIM-QGZVFWFLSA-N 324.380 2.619 0 40 DFAB Cc1cccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 6556989 LANOLLZVOGWMSA-UHFFFAOYSA-N 308.337 2.805 0 40 DFAB CC1=N[C@@](O)(c2ccccc2)[C@@H](NC(=O)c2ccccc2)S1 4693928 PWFBUTGZYOJAHX-DLBZAZTESA-N 312.394 2.753 0 40 DFAB CN(C)S(=O)(=O)c1ccc(SCc2ccccc2)nc1 5635131 LDIYTVOOPJFHFJ-UHFFFAOYSA-N 308.428 2.624 0 40 DFAB O=C(O)CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 5948866 ARCGZRKPEOQYQD-UHFFFAOYSA-N 324.311 2.855 0 40 DFAB CCc1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1 8352363 VVILWVUUCHNAKG-ZHACJKMWSA-N 306.369 2.621 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1CN 70175864 QFVFOEBJPWEUHM-MFKMUULPSA-N 300.324 2.905 0 40 DFAB c1ccc(OCc2cscn2)c(CNCCn2cccn2)c1 69927340 APMLMVMYOSPSMM-UHFFFAOYSA-N 314.414 2.708 0 40 DFAB COCc1cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)ncn1 96007995 WOAONNVHHAIRTP-IACUBPJLSA-N 304.394 2.665 0 40 DFAB COC[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 83992755 TZMJUJBYBPHYGB-AWEZNQCLSA-N 319.426 2.887 0 40 DFAB Cc1nn2c(C)c(C(=O)c3ccc(Cl)cc3)sc2nc1=O 27300660 CVOYLQQVCOVKFU-UHFFFAOYSA-N 319.773 2.652 0 40 DFAB Cc1c([C@H](NC(=O)[C@@H]2COCCO2)C(C)C)oc2ccccc12 71899797 BTGQEMAWZTVILI-JKSUJKDBSA-N 317.385 2.970 0 40 DFAB CO[C@@]1(C)C[C@@H](NC(=O)N(C)Cc2c(C)noc2C)C1(C)C 76091608 RUFNZWYXRFIPNM-CJNGLKHVSA-N 309.410 2.636 0 40 DFAB Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@@H]1O 72298287 LXJUTYHURCOESE-MFKMUULPSA-N 312.207 2.648 0 40 DFAB CCN(CC)C(=O)CCC1CCN(c2nnc(C)s2)CC1 97082695 DCYSYXMPYWDDKO-UHFFFAOYSA-N 310.467 2.712 0 40 DFAB CCc1cnccc1C(=O)O[C@@H](c1cnn(C)c1)C(F)(F)F 97110468 PIBRJMHWIZLVCT-LBPRGKRZSA-N 313.279 2.838 0 40 DFAB CCn1cc(C2CCN(Cc3ncc(Cl)n3C)CC2)cn1 97203565 DUZRDGPWRPQTCL-UHFFFAOYSA-N 307.829 2.670 0 40 DFAB O=C(c1cccc2[nH]ncc12)N1CCC[C@@H]1c1noc(C2CC2)n1 84358749 AFOCDCLVNBLUIN-CQSZACIVSA-N 323.356 2.801 0 40 DFAB O=C(NC1CCOCC1)N1CCC[C@H]1Cc1cccc(F)c1 84372382 PACRVYURULGLTQ-INIZCTEOSA-N 306.381 2.721 0 40 DFAB Clc1cn[nH]c1-c1nn2c(-c3ccsc3)nnc2s1 72401869 NICWNWXKTQOLRK-UHFFFAOYSA-N 308.779 2.958 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCc2cccs2)C1 77733969 KZLGICMWJFAVKR-LBPRGKRZSA-N 324.446 2.664 0 40 DFAB COCCN(C)C(=O)c1cc(Br)cc(Cl)c1O 72701018 OWYDQJRKPQZCRE-UHFFFAOYSA-N 322.586 2.527 0 40 DFAB C[C@H](O)CCN(C)C(=O)NCCc1csc2ccccc12 95426876 OGWQQKOOYPJPKZ-LBPRGKRZSA-N 306.431 2.856 0 40 DFAB C[C@](O)(CNC(=O)C/C=C/c1ccc(F)cc1)C(F)(F)F 95446594 HCTVSSFCQPIKBF-IBUXWKBASA-N 305.271 2.659 0 40 DFAB CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1cc(F)ccc1F 78869592 VRNURHQJBKOVAS-HNNXBMFYSA-N 318.323 2.945 0 40 DFAB c1ccc(CN2CCCCCC2)c(CNC2=NCCCN2)c1 95958917 XHWBDUBCIOWHMN-UHFFFAOYSA-N 300.450 2.502 0 40 DFAB CCCCc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1 95983175 XSULCZOMWDZIEM-UHFFFAOYSA-N 310.463 2.865 0 40 DFAB COc1ccccc1[C@@H](N[C@H]1CCSC1)c1noc(C)n1 95991405 ZKOAUHRKLLCINL-SMDDNHRTSA-N 305.403 2.571 0 40 DFAB CCCN(CC(=O)OC)C(=O)c1ccc2nc(C)ccc2c1 178483089 GCAOCWWKJIQEIC-UHFFFAOYSA-N 300.358 2.568 0 40 DFAB O=C(Nc1nccs1)[C@H]1CCCN1Cc1ccc(Cl)nc1 72632535 VFNNHSZBMHQRME-LLVKDONJSA-N 322.821 2.795 0 40 DFAB COc1cccc(C(=O)N2CCN=C2Cc2ccccc2)c1OC 73667372 KGOGXHCCLYPUQV-UHFFFAOYSA-N 324.380 2.801 0 40 DFAB CC(C)CNC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1 79485781 SMYNPJBBEOVUPB-UHFFFAOYSA-N 312.373 2.923 0 40 DFAB COCCn1ccc2cc(C(=O)NCCc3ccncc3)ccc21 79484233 HHDHYFZWWHXBSM-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@@H]1c1cccs1 72239378 SDWFMNLAYAVBDJ-IUODEOHRSA-N 318.398 2.567 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1coc(NC(=O)C2CC2)n1 70638744 AUOOKHWRQOBRJJ-UHFFFAOYSA-N 319.748 2.607 0 40 DFAB CSc1ncccc1C(=O)Nc1ccnn1Cc1ccco1 7778747 UCLZCXQLRRKQJY-UHFFFAOYSA-N 314.370 2.894 0 40 DFAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1 78403885 KMEZFJXYBLJHIA-JTQLQIEISA-N 306.362 2.983 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2ccc(F)cc2F)cn1 72239221 NUQAXVPXRSGKCT-UHFFFAOYSA-N 301.318 2.543 0 40 DFAB Fc1ccc(Cn2cc(CN3CCOCC34CCC4)cn2)cc1 187319159 RAMLZWGRFPXBJU-UHFFFAOYSA-N 315.392 2.825 0 40 DFAB CCCCOCc1cc(C(=O)N[C@@H](C)COC)ccc1OC 224443798 PHSDDVUXBHXEQI-ZDUSSCGKSA-N 309.406 2.777 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=O)Cc2cccs2)cc1 225490314 OEAXBSLZGBXKKL-GFCCVEGCSA-N 305.399 2.883 0 40 DFAB CCCOC(C)(C)C(=O)Nc1ccc(OCCOCC)nc1 225902977 WSPPAZARHROGBJ-UHFFFAOYSA-N 310.394 2.641 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@H](C)N(C)c2ccccc2)cc1 45745478 VMGMSCOTHJLKDF-HNNXBMFYSA-N 318.442 2.798 0 40 DFAB COc1ncccc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 193454958 LHLNHXDJKJCNFO-HUUCEWRRSA-N 308.447 2.577 0 40 DFAB Cc1ncoc1C(=O)NCC1CCN(Cc2cccs2)CC1 80610585 CEKZMMGRWSEPAN-UHFFFAOYSA-N 319.430 2.687 0 40 DFAB CC[C@]1(C)CN(C(=O)NCC(C)(C)c2ccncc2)CCO1 190795533 IPSWIFRQPKBUMT-QGZVFWFLSA-N 305.422 2.570 0 40 DFAB O=C(Cn1cccn1)N1CC[C@@H](CSc2ccccc2)C1 96431845 UOAFGKFCPLBVLP-CQSZACIVSA-N 301.415 2.524 0 40 DFAB CNC(=O)c1cc(C)ccc1NC(=O)c1cnn(C(C)(C)C)c1 96420915 YWLHHYYCWZEAET-UHFFFAOYSA-N 314.389 2.558 0 40 DFAB COC(=O)c1cncc(C(=O)N(C)[C@H](C)Cc2cccs2)c1 91248209 WRIUDYSTGZISKQ-LLVKDONJSA-N 318.398 2.633 0 40 DFAB CC(C)N(C)C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188311 OEFXTOCZUUXYDP-MRXNPFEDSA-N 318.490 2.917 0 40 DFAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccccc2)COC1 96112521 XRWGQUNWYGOFHY-HNNXBMFYSA-N 321.380 2.846 0 40 DFAB biogenic,in-vitro Cc1cccc(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)n1 97096567 GSJXKVPQVPUCJO-IYBDPMFKSA-N 303.450 2.716 0 40 DFAB c1ccc(-c2cnc(CSCCN3CCOCC3)o2)cc1 96485713 VTXCCZLVEKYEGC-UHFFFAOYSA-N 304.415 2.907 0 40 DFAB Cc1noc(C)c1C(=O)OC[C@@H]1CC(=O)N(c2ccccc2)C1 96416222 GDNSIYLFHNTSKQ-CYBMUJFWSA-N 314.341 2.501 0 40 DFAB CCCc1nnc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 97374817 RMUOSLQWYNFQFU-NSHDSACASA-N 320.422 2.973 0 40 DFAB O=C(O)c1cccc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 582737469 AWXNITWUNIDHSX-HOTGVXAUSA-N 317.410 2.654 0 40 DFAB CCOC(=O)/C=C/C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 238294078 ANIYWBGEJZKMAE-ZJNQMXKESA-N 313.394 2.868 0 40 DFAB c1coc([C@H](CNC2CCN(CC3CC3)CC2)N2CCCC2)c1 95419199 VTJRCDYHBNJBTK-SFHVURJKSA-N 317.477 2.881 0 40 DFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)[C@H]1COc2ccccc21 95396703 LAJXDLBNZBFZQI-HOCLYGCPSA-N 313.401 2.590 0 40 DFAB O=S(=O)(C1CCCC1)N1CCC[C@@H](c2nccs2)C1 257229273 FXKSFSHKTJHYLT-LLVKDONJSA-N 300.449 2.595 0 40 DFAB C/C=C/C=C/C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 56082046 UOGQIPSRMHJZKM-CTFHZUFUSA-N 313.401 2.699 0 40 DFAB CCNC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 67301123 CCBIZCRMFKBKGD-UHFFFAOYSA-N 313.361 2.681 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)NC1(c2noc(C)n2)CCCC1 80488040 JGMQTKPIAVLXQZ-VXGBXAGGSA-N 324.450 2.731 0 40 DFAB CCCc1cc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)on1 12192404 VQYFLYQHTOSXJV-OAHLLOKOSA-N 320.776 2.900 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1ccccc1C)C2O 19320207 PRMMWXIEGAZLOZ-UHFFFAOYSA-N 300.446 2.792 0 40 DFAB biogenic COCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19589146 HNSOLODJVKIDHQ-ZHALLVOQSA-N 316.445 2.502 0 40 DFAB CCn1cc(-c2cncn2C[C@H](C)N2CCC(C)CC2)cn1 19719621 ORGNJNINDQJPCU-HNNXBMFYSA-N 301.438 2.887 0 40 DFAB O=C(O)[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC12CCC2 575606861 GFAZVOZAMRLBIJ-SNVBAGLBSA-N 300.280 2.792 0 40 DFAB C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H](C)O1 23991066 LFBMLLAQTBNHKM-PHIMTYICSA-N 307.781 2.999 0 40 DFAB CC(=O)N1CCN=C1SCc1ccc(Br)cc1 4119980 VKJNUFQMYDAIGK-UHFFFAOYSA-N 313.220 2.900 0 40 DFAB Cc1cc(NC(=O)CSc2ccc(-c3ccco3)nn2)no1 4357858 PFYNBKCGNXNLIJ-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC(Oc2nccs2)C1 208030133 VFVVYJTYYAPZLB-UHFFFAOYSA-N 300.339 2.793 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)c2ccccc2OC)cc1 31098257 CIUMFMYLBJYXQZ-OAHLLOKOSA-N 316.357 2.559 0 40 DFAB CC1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 102307 FZCHILGWCTZSJZ-UHFFFAOYSA-N 304.390 2.518 0 40 DFAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 44104 XWHYMURLILXOQE-OAHLLOKOSA-N 318.373 2.522 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1ccc2nc(O)oc2c1 28688597 RIBVTDMDCPEBJX-UHFFFAOYSA-N 318.354 2.749 0 40 DFAB COc1ccccc1C[C@H]1CCCN1C(=O)c1ccnc(C)n1 58988016 BHUBHMZVAOTHNV-OAHLLOKOSA-N 311.385 2.641 0 40 DFAB O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2)OCc1ccccc1 1857793108 KYWFZHUEQZQMJM-BRFAVSGOSA-N 301.386 2.852 0 40 DFAB CO[C@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1ccccc1 69535705 IZOMCYSTLVNHFT-SJORKVTESA-N 313.401 2.743 0 40 DFAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc2c(c1)OCCO2 36612219 PLBJVACXGOGRLV-MRXNPFEDSA-N 310.305 2.942 0 40 DFAB COc1cc([C@@H](C)N[C@H]2C=CCCC2)ccc1S(C)(=O)=O 90393652 FHYCONPWVXQJDJ-OCCSQVGLSA-N 309.431 2.858 0 40 DFAB Cc1ccccc1-n1cnnc1SCc1ccc(C(N)=O)cc1 8780156 ARNIMLYFHDWWSG-UHFFFAOYSA-N 324.409 2.967 0 40 DFAB CCOc1cccc2c1OCC(C(=O)NCc1ccccn1)=C2 40529537 MVFVJFCCHHIPMK-UHFFFAOYSA-N 310.353 2.573 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 40525887 LOIBYKKLESVKGN-JTQLQIEISA-N 312.316 2.772 0 40 DFAB O=C(O)C1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 75244325 FSJSTCPPCKXFBZ-UHFFFAOYSA-N 309.793 2.986 0 40 DFAB CCC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 20612428 YWCPIEGYSFWVTM-UHFFFAOYSA-N 320.408 2.983 0 40 DFAB Cc1cc(C)c(NC(=O)Cc2ccc(-n3cnnn3)cc2)c(C)c1 45954180 STWJGPXKIIEKTD-UHFFFAOYSA-N 321.384 2.769 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1ccc2nsnc2c1 15841196 JGIWYQYNAAOMMO-UHFFFAOYSA-N 303.318 2.848 0 40 DFAB Nc1cccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 51630758 ZREDEUUVOWTDKL-MRXNPFEDSA-N 302.399 2.625 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNc1nnnn1-c1ccccc1 52280748 ONZYBTOBUZTXSS-HIFRSBDPSA-N 301.394 2.670 0 40 DFAB CCOc1ncccc1C(=O)NCc1nccc2ccccc12 32873632 CHDPZBVWLDYTLI-UHFFFAOYSA-N 307.353 2.959 0 40 DFAB C[C@@H](OC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1 21685937 KNESXQZDXWQEMR-GFCCVEGCSA-N 307.365 2.749 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c2ccccc21 33184340 ASAMTEOHPBSZBS-ZIAGYGMSSA-N 315.417 2.518 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=S)Nc1ccccc1 545677 RTJXHNAIANNWGU-UHFFFAOYSA-N 313.426 2.761 0 40 DFAB O=C(NCc1ccc(OCCOc2ccccc2)nc1)C1CC1 47194297 PLSXGFBDRBAVAN-UHFFFAOYSA-N 312.369 2.566 0 40 DFAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@H](N2CCCC2)C1 89774888 BHIIXFCZWKZZDX-YESZJQIVSA-N 302.393 2.626 0 40 DFAB Cc1ccc(-c2nc(COC(=O)C3(O)CCCCC3)no2)cc1 22977326 YRYLQMAGBXINOF-UHFFFAOYSA-N 316.357 2.783 0 40 DFAB NC(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1 23044902 CVMKFLYPWABIOW-UHFFFAOYSA-N 319.744 2.675 0 40 DFAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1COc2ccccc21 110680296 UGMVJWBZWSYURU-COXVUDFISA-N 311.381 2.791 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 105701553 GDFUTQPJHCNINE-BWJWTDLKSA-N 318.461 2.718 0 40 DFAB COc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1Cl 3221731 UCYZAXGBNXCKHF-UHFFFAOYSA-N 324.789 2.713 0 40 DFAB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 55676222 SZNKGWRDEMPTTI-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB CN(C)[C@H](CNC(=O)CCc1ccc(Cl)s1)C1CC1 55720033 REZFYMLDGCPKLW-GFCCVEGCSA-N 300.855 2.791 0 40 DFAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H](O)C1 25495928 CINCMHVRPDWHHO-HNNXBMFYSA-N 309.365 2.515 0 40 DFAB O=C(O)c1ccccc1CSc1nnnn1-c1ccccc1 3281808 FGAKRVUNDUOKKO-UHFFFAOYSA-N 312.354 2.653 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cc1O 12680989 ZOOGPDNTCJYZFO-MRXNPFEDSA-N 313.353 2.687 0 40 DFAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 26860664 BCHKLYCJNODXDF-UHFFFAOYSA-N 324.789 2.532 0 40 DFAB C[C@@H](C(=O)NCCc1ccccc1Br)n1ccnc1 58218212 BJUCRAMWXWSGTN-NSHDSACASA-N 322.206 2.566 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 44973613 DEDZWOYVSFBMTI-KGLIPLIRSA-N 314.385 2.892 0 40 DFAB Cc1ccsc1CNC(=O)NCc1cn2ccccc2n1 44950790 GTEZLPHCLYHKJW-UHFFFAOYSA-N 300.387 2.704 0 40 DFAB O=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1F 58356884 ZEJCIVOJAQYFIP-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB Cc1cccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n1 28194678 CUPZBJAHKKTHQT-CQSZACIVSA-N 317.414 2.845 0 40 DFAB CC(=O)Nc1ccc(NC(=O)Cc2sc(C)nc2C)cc1 36359998 OKXBZWGVMDLDGB-UHFFFAOYSA-N 303.387 2.900 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCCC1 45296744 BWRWVLOHRDNFQA-UHFFFAOYSA-N 312.417 2.854 0 40 DFAB COc1cc(CNC(=O)c2c(-c3ccccc3)noc2C)ccn1 48299188 IEYSBIQFYZROBP-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H]1c1cccs1 48366491 UUYVOVQQTGITSY-WCQYABFASA-N 318.398 2.823 0 40 DFAB CC(=O)NCC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 48353275 MLEUYACWKNCHCW-UHFFFAOYSA-N 318.461 2.578 0 40 DFAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCCCC2)cc1 48324397 HFSWZYBWZCFVQA-KRWDZBQOSA-N 302.418 2.845 0 40 DFAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1Cn1cccn1 69774707 IUPNSXJTJHBJPP-SFHVURJKSA-N 320.396 2.979 0 40 DFAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc[nH]2)c(C)c1 3437153 KQUKUBWSOMSQSD-UHFFFAOYSA-N 313.386 2.582 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1 12993401 ZNOXMTDCTHIICZ-HNNXBMFYSA-N 300.358 2.752 0 40 DFAB CCCCCC[C@@H](C)NC(=O)c1nc2nc(C)cc(C)n2n1 12975218 RUUAKZKBUBEPDC-LLVKDONJSA-N 303.410 2.830 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCSCC1 49213426 UKGLLYJMMXCFTN-INIZCTEOSA-N 316.426 2.526 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)C[C@@H](C)n2cccc2)C1 69870766 KUBNMECULCXCML-GDBMZVCRSA-N 300.406 2.808 0 40 DFAB O[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 8149500 NBBBDJLJALUFFC-CQSZACIVSA-N 306.369 2.653 0 40 DFAB COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 6179511 NYDMPSKJUHWJAL-SECBINFHSA-N 305.277 2.681 0 40 DFAB CC(C)COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1 4337133 MKPLKRMGHBZGHF-OAHLLOKOSA-N 307.390 2.951 0 40 DFAB O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(Cl)cc1F 65500191 FYOGNYYDVYLPFX-SNVBAGLBSA-N 323.755 2.964 0 40 DFAB Cc1ccccc1[C@H](NC(=O)CCN1CCCC1=O)C(C)C 70019696 WAORDJGJROLJIT-GOSISDBHSA-N 302.418 2.821 0 40 DFAB Cc1noc(C)c1COC(=O)[C@H](c1ccccc1)n1cccn1 65662642 SDIYQXIBRBEVJM-INIZCTEOSA-N 311.341 2.821 0 40 DFAB O[C@@H](COc1ccccc1)CN1C2=NCCCN2c2ccccc21 4797484 CJGGBILLAFMHNS-OAHLLOKOSA-N 323.396 2.513 0 40 DFAB NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 6759608 UDTKCDYJIRZZAO-WDEREUQCSA-N 310.279 2.642 0 40 DFAB COc1ccc2cc(-c3nc(-c4ccccn4)no3)c(=O)oc2c1 6867983 SULUBLTXZJJSGF-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB CC[C@H](NC(=O)Cn1cc(C)cn1)c1nc(-c2ccccc2)c[nH]1 69419215 BOEDTTHMAPZXFE-HNNXBMFYSA-N 323.400 2.849 0 40 DFAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cn1 24577308 SIUQFMNBZZPATN-UHFFFAOYSA-N 305.403 2.583 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nccs1 7276917 BOABNOQNWPPFAB-UHFFFAOYSA-N 300.343 2.590 0 40 DFAB NC(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 80375812 LPQRZELWNLJDJQ-MRXNPFEDSA-N 300.402 2.970 0 40 DFAB Cc1cc(F)ccc1NC(=O)NCCCCn1ccccc1=O 71908465 QIHKLDLWEWROPD-UHFFFAOYSA-N 317.364 2.898 0 40 DFAB Cc1nc(C)c(C(=O)OCc2nc(N)c3ccccc3n2)s1 9208384 YVBXGBCDPRBSOO-UHFFFAOYSA-N 314.370 2.642 0 40 DFAB CCc1nnc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)s1 9452114 PAOLJHJUNZEVAO-UHFFFAOYSA-N 316.386 2.701 0 40 DFAB Cc1ccc(CCNC(=O)N2CCS[C@@H](C(C)C)C2)cn1 96440081 HNSNQHGOBFMAHA-OAHLLOKOSA-N 307.463 2.716 0 40 DFAB CN(C(=O)Nc1ccccn1)[C@H]1CCCN(c2ccccc2)C1=O 96406792 WQWOCYKNTAVANG-HNNXBMFYSA-N 324.384 2.741 0 40 DFAB CC(C)[C@@H](NC(=O)NCC(C)(C)C[C@@H](C)O)c1ccncc1 96440290 CLIWFZJJSDGSIS-UKRRQHHQSA-N 307.438 2.875 0 40 DFAB c1ccc(Cc2nnc(CN3CCC[C@H]3Cn3cccn3)o2)cc1 71875741 DPUANKYLBQISEM-INIZCTEOSA-N 323.400 2.522 0 40 DFAB CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)N1CCC(C)CC1 72299755 VMIYJBPJJQYFTB-GDBMZVCRSA-N 318.465 2.517 0 40 DFAB C[C@@H](c1ccc(F)cc1)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1 78900667 LFENINAJDYFKGL-AAEUAGOBSA-N 316.380 2.588 0 40 DFAB CC(C)NC(=O)Cc1ccc(N[C@H](C)C2CCOCC2)cc1 97037247 PEHBIYMVXHUXLG-CQSZACIVSA-N 304.434 2.981 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1Cl 97084168 YVUPBVMQWLDNDT-LLVKDONJSA-N 310.781 2.779 0 40 DFAB C[C@H](NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC1 97165518 IGAPKLOPPINSRO-STQMWFEESA-N 310.438 2.938 0 40 DFAB COC(=O)c1cc(Cl)cc(NCc2cccc(C(N)=O)c2)c1 72301941 KUSAPUBNLBJWHZ-UHFFFAOYSA-N 318.760 2.838 0 40 DFAB c1csc([C@H]2CN(c3ncnc4sccc34)CCO2)n1 97203814 AGHJLFQZFPKVFL-SNVBAGLBSA-N 304.400 2.726 0 40 DFAB CN(C)c1ccccc1CN(C)[C@H](C(N)=O)c1cccc(F)c1 72599588 OEUIKRRVFFAWJT-KRWDZBQOSA-N 315.392 2.550 0 40 DFAB O=C(c1ccccc1F)N1CC[S@@](=O)C[C@@H]1c1ccccc1 95398654 VZALJCDJCAZTHS-ZHRRBRCNSA-N 317.385 2.772 0 40 DFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cnsn1 95417661 AUMKUNKDYOQFML-AWEZNQCLSA-N 323.393 2.509 0 40 DFAB Cc1cc(NC(=O)c2c(C)c3ccccc3oc2=O)nnc1C 95410132 KZUNUMZJGWVFAB-UHFFFAOYSA-N 309.325 2.761 0 40 DFAB COCc1nn(Cc2csc3c(Cl)cccc23)c(=O)o1 95413963 SJOULDYSIUFFQH-UHFFFAOYSA-N 310.762 2.899 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCN1 88059025 AIDXNDTVXJUEAV-QMMMGPOBSA-N 317.614 2.536 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc2ccccn2c1 74197611 CDQTVUIFPOHVNI-UHFFFAOYSA-N 320.396 2.865 0 40 DFAB CC(=O)c1ccc(CNc2ncc(Br)cn2)nc1C 95977032 OQCABNARHDMWMT-UHFFFAOYSA-N 321.178 2.757 0 40 DFAB O=C(CC1=CCCCC1)NS(=O)(=O)c1ccc(F)c(F)c1 95951138 YMDCZJDPGVKPGC-UHFFFAOYSA-N 315.341 2.660 0 40 DFAB CC[C@H](NC(=O)N[C@](C)(CO)C1CC1)c1ccccc1OC 95966559 KKPVRCXQAVQZJP-WMLDXEAASA-N 306.406 2.607 0 40 DFAB Cc1cc(CC(=O)Nc2ccc(N3CCCCC3)cn2)no1 74591792 DXXNNITZDLHXMX-UHFFFAOYSA-N 300.362 2.550 0 40 DFAB CN(C)c1cc(C(=O)N2CCOc3c(Cl)cccc32)ccn1 89322971 YHOHGRISSQMUQP-UHFFFAOYSA-N 317.776 2.840 0 40 DFAB Cc1noc([C@@H]2CC[C@H](CN[C@@H]3CCc4ccccc4C3)O2)n1 548345966 YJJOHLPELWJTIG-ZACQAIPSSA-N 313.401 2.745 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)O)c1ccsc1 563280525 WTGCDMABBPJXQY-AWEZNQCLSA-N 305.355 2.735 0 40 DFAB COc1ccc2c(c1)N(Cc1nc(-c3ccco3)no1)CCO2 75955673 CMANLXWFCNJROF-UHFFFAOYSA-N 313.313 2.737 0 40 DFAB FC(F)(F)Cn1ccnc1COc1cccc(-n2cncn2)c1 72920893 ZBHBZGRNPIFSQT-UHFFFAOYSA-N 323.278 2.605 0 40 DFAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCC)cc1 57708991 ADVZKXPBFUZXGF-UHFFFAOYSA-N 313.419 2.674 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](O)(CN)c1ccccc1 72208048 ABCTVXSHTFGKGD-YJBOKZPZSA-N 320.433 2.623 0 40 DFAB COc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 79033256 WYAWTKRZLYEDEC-UHFFFAOYSA-N 307.390 2.914 0 40 DFAB CN(C)c1ccc2cc(NC(=O)C[C@H]3COC(=O)C3)ccc2c1 521394918 FTAJKBSRYOSQOD-GFCCVEGCSA-N 312.369 2.798 0 40 DFAB COc1cccc(OCC(=O)NCCSCc2ccco2)c1 222787950 GODDPCRWXOPZLG-UHFFFAOYSA-N 321.398 2.717 0 40 DFAB Cc1cncn1CCCn1c(=S)[nH]c2ccccc2c1=O 43200978 OCZNDAJRFTWXOB-UHFFFAOYSA-N 300.387 2.654 0 40 DFAB Cc1oc(CN(C)C(=O)CCc2ccsc2)cc1C(=O)O 225460178 ZNAKOMIYRQNANK-UHFFFAOYSA-N 307.371 2.939 0 40 DFAB C[C@@H](Nc1ncccc1Cl)c1cccc(S(N)(=O)=O)c1 88698946 NCMRQOHESZQKSD-SECBINFHSA-N 311.794 2.556 0 40 DFAB C[C@@]1(NC(=O)c2cc(Br)co2)CCO[C@H]1C1CC1 580937127 YMYHVURDTUGHRB-WCQYABFASA-N 314.179 2.730 0 40 DFAB CC(C)Cn1c2c(ccc1=O)C[C@@H](NCc1ccoc1)CC2 96189620 AZOVYKVRFLMQKR-INIZCTEOSA-N 300.402 2.744 0 40 DFAB Cc1cccc(CN2CCc3ncnc(NC(C)C)c3CC2)n1 96255515 YLWMPDMZCQWIHC-UHFFFAOYSA-N 311.433 2.601 0 40 DFAB C[C@]1(NCc2cc(C(N)=O)cs2)CCc2ccccc2C1 95427546 KUJBNTCQUPZSNK-KRWDZBQOSA-N 300.427 2.884 0 40 DFAB Cc1cccc(Oc2ccc(NC(=O)Cn3ccnn3)cn2)c1C 96455705 ACLWHHVQYWRKCQ-UHFFFAOYSA-N 323.356 2.721 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039391 GRYVYMSYYQYGEZ-NVXWUHKLSA-N 323.458 2.725 0 40 DFAB O=C(O)[C@@H](c1ccsc1)N1CCN(c2ccccc2)CC1 91690145 AFVLPEQINSKKJO-OAHLLOKOSA-N 302.399 2.696 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 96412553 JJPBNVWYZWEOGU-DLBZAZTESA-N 320.433 2.648 0 40 DFAB CC(C)C[C@H](NC(=O)N1CC[C@H]([C@@H](C)O)C1)c1ccccn1 96502541 FUSLWCZVOHBRPA-YCPHGPKFSA-N 305.422 2.581 0 40 DFAB CCOC(=O)CCCCN1CCO[C@H](c2cccc(F)c2)C1 96417414 YLUVJPDWCXLOHM-INIZCTEOSA-N 309.381 2.932 0 40 DFAB COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)cc(Cl)c1OC 91899227 QGXGUKNRGAGCGS-OCCSQVGLSA-N 313.825 2.950 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2)CN1CCOC[C@H]1CCCO1 247949688 JLPBXLLGVLYDFU-NXHRZFHOSA-N 305.418 2.644 0 40 DFAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2nccs2)ccn1 257306123 SSZZTZPJTBCCPG-HNNXBMFYSA-N 316.430 2.511 0 40 DFAB CC[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@@]2(CCOC2)O1 252571695 YKNOENFPYDJCEF-FGTMMUONSA-N 305.418 2.644 0 40 DFAB Cc1cc(C2CCN(Cc3cccn3C)CC2)nc2ccnn12 257203111 AOSODSUDZUCNFH-UHFFFAOYSA-N 309.417 2.756 0 40 DFAB c1ccc2c(c1)ncn2-c1cncc(C[C@H]2CCCNCC2)n1 257270663 MVDQKWNQDDIMLA-AWEZNQCLSA-N 307.401 2.748 0 40 DFAB CCc1cc2nncn2c(SC[C@H](O)c2ccccc2)n1 280061356 SVCUXJFOSFYCOT-ZDUSSCGKSA-N 300.387 2.512 0 40 DFAB COc1ccccc1[C@H](CNC(=O)NCc1cccs1)OC 96385318 QCGSQVIRBMAKPT-HNNXBMFYSA-N 320.414 2.944 0 40 DFAB CCCOc1ccccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 69775923 VDTBFPUJUWQDAJ-LBPRGKRZSA-N 321.421 2.900 0 40 DFAB O=S(=O)(c1ccc(Br)c(F)c1)C(F)(F)F 604221495 BQJKMWSUSHCXNH-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1cccnc1 12337403 IOVFNLVXOLDYOY-INIZCTEOSA-N 324.380 2.884 0 40 DFAB NC(=O)N[C@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 14207761 PXRAMCNCCSRTQR-CQSZACIVSA-N 301.321 2.564 0 40 DFAB CCC(=O)c1ccc(OC[C@@H](O)CNC2CCCCC2)cc1 16739477 XLXUIVFVWQPCJQ-INIZCTEOSA-N 305.418 2.941 0 40 DFAB O=c1c2sccc2nc2n1CCN(Cc1ccsc1)CC2 19406542 RHUNZEMCDDCBHQ-UHFFFAOYSA-N 317.439 2.578 0 40 DFAB Cc1noc(CN2CC(n3c(C(C)C)nc4ccccc43)C2)n1 1888875996 GVODUWDNEGTJMI-UHFFFAOYSA-N 311.389 2.908 0 40 DFAB COc1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1 22479918 NQKUZUIZNCGHSG-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB CC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 32912949 UFCOSJHKANKRPV-GDBMZVCRSA-N 317.433 2.694 0 40 DFAB Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)on1 12422433 DLNFQTDVRXGIJL-UHFFFAOYSA-N 304.693 2.939 0 40 DFAB Cc1csc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)c1 2055729964 KACUBLWYQMKDJJ-UHFFFAOYSA-N 313.426 2.965 0 40 DFAB Brc1cnccc1N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 2298042576 QEEYXVMFYYNSMP-VXGBXAGGSA-N 322.250 2.765 0 40 DFAB C/C=C/c1ccc(OCC(=O)Nc2nncs2)c(OC)c1 11182887 GAFWNQLUTHRILY-ONEGZZNKSA-N 305.359 2.597 0 40 DFAB COc1cc2c(cc1O)C[C@@H]1NCCc3cc4c(c-2c31)OCO4 898358 VYJUHRAQPIBWNV-LBPRGKRZSA-N 311.337 2.539 0 40 DFAB biogenic,in-vitro CC1CCN(C(=O)CSCC(=O)Nc2ccccc2)CC1 31853446 PUXYTYBKRFCIRG-UHFFFAOYSA-N 306.431 2.617 0 40 DFAB O=C(c1ccccc1)N(C(=O)c1ccccc1)c1cccc[n+]1[O-] 1688617 BQYOXWZFRVBETG-UHFFFAOYSA-N 318.332 2.807 0 40 DFAB CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccc(C(F)(F)F)cc1 2754398 DKYFIMSRVYKJDE-MNOVXSKESA-N 319.304 2.753 0 40 DFAB C[C@H](CCc1ccco1)N[C@@H]1CCCN(c2cccnn2)C1 89732133 MJFJXTPGPTVVBW-HUUCEWRRSA-N 300.406 2.649 0 40 DFAB Cc1nc(/C=C/C(=O)N(C)Cc2nccn2C(F)F)cs1 29183222 OWASYDINGQZTCV-ONEGZZNKSA-N 312.345 2.715 0 40 DFAB Cc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)o1 356160 TUEPACOBNCHEAH-RNCFNFMXSA-N 316.279 2.841 0 40 DFAB Cn1ccs/c1=N\C(=O)c1cc(C2CC2)nn1-c1ccccc1 32674440 UYBUWQQTUSLYFA-ZCXUNETKSA-N 324.409 2.891 0 40 DFAB CN(Cc1noc(C(C)(C)C)n1)C[C@@H]1COc2ccccc2O1 46056273 IYFRETHYAGGIOD-GFCCVEGCSA-N 317.389 2.639 0 40 DFAB CCSc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3 497261 KYADJENNMOFELA-UHFFFAOYSA-N 321.431 2.697 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)NC2(c3noc(C)n3)CCC2)c1 32915594 ANXMCWDUMVBUMZ-LBPRGKRZSA-N 315.373 2.649 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@@H](C)C2)c2ccccc2c1=O 2645117 UZSLQKAGSSKOGC-CYBMUJFWSA-N 313.401 2.679 0 40 DFAB Cc1cc2nc(NCCNc3cnccn3)c3ccccc3n2n1 37176662 NQTHBCHNFWSBBQ-UHFFFAOYSA-N 319.372 2.505 0 40 DFAB COCCNC(=O)c1oc2cc(Br)ccc2c1C 28575625 OPLOLDKLHQQUAL-UHFFFAOYSA-N 312.163 2.880 0 40 DFAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1nnc2n1CCCCC2 29900392 RYEQTTCRYGCLIQ-GFCCVEGCSA-N 316.380 2.564 0 40 DFAB Cc1csc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1 41529839 QGVSWOJEYHJBHV-UHFFFAOYSA-N 312.398 2.942 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccnn1C(C)C 22292258 MHOBIPIFHCTDMS-UHFFFAOYSA-N 310.357 2.529 0 40 DFAB COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1 20141639 SBIKAKJRJQQMBN-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB CC[C@@H](CNC(=O)CSc1nnc(N)s1)c1ccccc1 22871320 TXDWHEOWKNGXCV-JTQLQIEISA-N 322.459 2.522 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)cc1C 23127093 JZTDPMPJNBXXAJ-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB O=C(NCc1cnn(Cc2ccccc2)c1)c1cccnc1S 47186398 GWCOUWCVOWWNOP-UHFFFAOYSA-N 324.409 2.545 0 40 DFAB COc1cc(OC)cc(C(=O)c2cccc(OC(C)=O)c2)c1 43209896 VNTLWAJBEHFPCE-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2nnc(C)s2)c(OC)c1 43408219 FGHMIXILTRVGOK-MRVPVSSYSA-N 322.390 2.746 0 40 DFAB O=C(CSc1ncc2ccccn12)NCc1ccc(F)cc1 12531897 PQNINRGZGBVSQM-UHFFFAOYSA-N 315.373 2.882 0 40 DFAB COc1cc(F)ccc1NC(=O)CCNC(=O)c1ccsc1 25310679 LCJFGYBDBCKCJO-UHFFFAOYSA-N 322.361 2.654 0 40 DFAB O=C(O)[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1 35296553 LZFPWGWDVUCFMU-SECBINFHSA-N 316.170 2.885 0 40 DFAB Cc1ccc(OCCCNC(=O)CCCc2nc(C)no2)cc1 69351660 MXFYSVVSIQJCRR-UHFFFAOYSA-N 317.389 2.594 0 40 DFAB C[C@@H]1Cc2ccccc2N1CCS(=O)(=O)Oc1ccccc1 57826813 VOLWQEJCHJDYCL-CQSZACIVSA-N 317.410 2.846 0 40 DFAB COc1ccc(OC)c(-c2cc(C(=O)O)c3c(C)[nH]nc3n2)c1 44920605 MJIYZZFLQWJBCP-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB O=C(c1cnc(-c2ccccc2)nc1)N(C[C@H]1CCOC1)C1CC1 58368833 AMQFANZZBYWGEX-CQSZACIVSA-N 323.396 2.785 0 40 DFAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(c2ccccc2)=N1 58331484 MIZYGPPHEOQEEZ-UHFFFAOYSA-N 322.290 2.539 0 40 DFAB NC(=O)N[C@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 3308464 LUAYOSNCVANEFH-CQSZACIVSA-N 300.314 2.663 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCN(c2ccccn2)C1 58430880 DKUQGKKZYNFJEV-FGTMMUONSA-N 321.424 2.970 0 40 DFAB CC(C)[C@H](NC(=O)NCCc1cnn(C)c1)c1cccs1 45122917 MNTQOUHRKQGLEK-AWEZNQCLSA-N 306.435 2.721 0 40 DFAB C[C@H](Oc1cccc(Cl)c1Cl)/C(O)=N/S(C)(=O)=O 48487004 SPDTXDURMVGTAY-LURJTMIESA-N 312.174 2.677 0 40 DFAB CCOc1ncccc1NC(=O)N[C@H](C)c1c(C)nn(C)c1C 62647897 SPQKVMJKMUSTQT-SNVBAGLBSA-N 317.393 2.713 0 40 DFAB O=P(O)(O)[C@@H](NCCc1cccc(F)c1)c1ccsc1 13004731 PBHFJCLASNJAFR-CYBMUJFWSA-N 315.306 2.896 0 40 DFAB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)[nH]2)c2ccccc21 3877821 LIHBZLKDKCPNSM-KAMYIIQDSA-N 317.348 2.830 0 40 DFAB C[C@@H](SC(=S)N1CCCC1)C(=O)N1CCCCCC1 69449557 JTFQHFBQBNREIT-GFCCVEGCSA-N 300.493 2.891 0 40 DFAB C[C@H](CS(C)(=O)=O)N(Cc1ccc(F)cc1Cl)C1CC1 69656345 ZYTZIKJUWJVSEE-SNVBAGLBSA-N 319.829 2.877 0 40 DFAB Cc1ccc(N2CC[C@H](NC(=O)Cc3cccs3)C2=O)cc1 65228885 GJWSWXILSVMOSF-HNNXBMFYSA-N 314.410 2.521 0 40 DFAB CCN(C)CCNC(=O)c1sc(-c2cccs2)nc1C 65403902 LFLFVMKYQJYBFS-UHFFFAOYSA-N 309.460 2.862 0 40 DFAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)COc1ccccc1F 69744419 BXGMBAAFKFNUFS-HIFRSBDPSA-N 315.344 2.885 0 40 DFAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccccc1 14022034 QPTVUTDTZVBSLU-JTQLQIEISA-N 302.305 2.592 0 40 DFAB CCn1c(SCC(=O)N(C)C)nnc1-c1ccc(Cl)cc1 5309014 LFLJFTKHMSMNOL-UHFFFAOYSA-N 324.837 2.799 0 40 DFAB COC(=O)c1cc(NC(=O)[C@@H]2CC=CCC2)cc(C(=O)OC)c1 8944190 RNEFNRILJJWUFI-LLVKDONJSA-N 317.341 2.555 0 40 DFAB CCn1cc(CN(C)CC(=O)Nc2cc(C)ccc2C)cn1 14187507 MBUBDUFUCZGEKZ-UHFFFAOYSA-N 300.406 2.590 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1COc2ccccc21 76092850 LKRIDFVEMHIGMU-XHSDSOJGSA-N 311.385 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316.220 2.904 0 40 DFAB C[C@@H]1CCCN1CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 97010688 LLDLQGCRQHEZQT-UXIGCNINSA-N 308.372 2.669 0 40 DFAB CN(Cc1cscn1)C1CCN(C(=O)OC(C)(C)C)CC1 84200182 QRQZLJKDOSNLCR-UHFFFAOYSA-N 311.451 2.974 0 40 DFAB COc1ccc(NC(=O)NC[C@H](C)CC2(C)OCCO2)cc1 72305948 XDOYBTPQVQDKAP-GFCCVEGCSA-N 308.378 2.606 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccc(O)cc2oc1=O 408815961 RYZPKCMZAWHMMN-IINYFYTJSA-N 301.342 2.807 0 40 DFAB CC[C@@H](Oc1ccc(NC(=O)C2CCCCC2)cc1)C(N)=O 97378067 BEPVGGJHWDQSSJ-OAHLLOKOSA-N 304.390 2.848 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)N(C)Cc1nccs1 84621950 OCTHXMXRGGWMTI-UHFFFAOYSA-N 320.418 2.667 0 40 DFAB C[C@@H](CNC(=O)NC1CCC2(CC1)OCCO2)c1ccsc1 73631355 QHSRPUZLUHDDNZ-LBPRGKRZSA-N 324.446 2.837 0 40 DFAB COc1ncc(Cl)c(N[C@H](C)Cc2c(C)nn(C)c2C)n1 95970977 GUHQPZAZDLYKOE-MRVPVSSYSA-N 309.801 2.532 0 40 DFAB Cc1c(C(=O)Nc2ccc(NCc3ccccn3)cc2)cnn1C 95959009 ASEZYUVSNFGKFB-UHFFFAOYSA-N 321.384 2.988 0 40 DFAB CCc1cnccc1C(=O)N[C@H](C)[C@@H](O)c1ccc(F)c(F)c1 95992405 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RDZOICXHOXLGDC-SNVBAGLBSA-N 307.415 2.841 0 40 DFAB O=c1[nH]nc(SCc2ccc(F)c3cccnc23)n1C1CC1 32329295 MZLWWRDYHBCLHZ-UHFFFAOYSA-N 316.361 2.886 0 40 DFAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2cccn2)nc1 32754768 DCESPVYBWRMKAA-UHFFFAOYSA-N 319.324 2.590 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@]1(C)Sc2ccccc2N(C)C1=O 57279899 DRRMDIOYKMTUNQ-YVEFUNNKSA-N 318.442 2.915 0 40 DFAB Brc1cccc2c1CC[C@H]2NCCn1ccnc1 91264092 BMMUZDVEZJIDEI-CQSZACIVSA-N 306.207 2.923 0 40 DFAB Cc1nn(CCC(=O)NC2CCSCC2)c2ccccc12 57280011 NONJZRVTVGABRF-UHFFFAOYSA-N 303.431 2.747 0 40 DFAB O=C(c1c[nH]c2ccccc2c1=O)N1CCc2ccccc2C1 22233969 CGMQQPGYVFLQDD-UHFFFAOYSA-N 304.349 2.727 0 40 DFAB CCCN1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 53409091 FFLCMZMLEYMMDG-INIZCTEOSA-N 300.446 2.875 0 40 DFAB CN1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1=O 46800172 AWVMXTWUMCMSRH-UKRRQHHQSA-N 320.820 2.872 0 40 DFAB O=C(O)C1=C[C@H](c2cccs2)n2nc(-c3ccccc3)nc2N1 12389005 NVVZCCKTWCGBID-GFCCVEGCSA-N 324.365 2.990 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(F)cc(F)c1 24653086 PQGLMUYUGIGQBJ-AWEZNQCLSA-N 319.307 2.877 0 40 DFAB Cc1cc(-n2nc(-c3ccco3)cc2C(F)(F)F)nc(N)n1 1408034 BLSITPYSQNRFCT-UHFFFAOYSA-N 309.251 2.832 0 40 DFAB COc1ccc(NC(=O)Cc2csc3nc(C)cn23)cc1 12534993 YALWQIZPNSXDHS-UHFFFAOYSA-N 301.371 2.894 0 40 DFAB COc1cc(NC(=O)C2CC2)ccc1NC(=O)c1cccnc1 26243958 ROXGNHPCYJWNOL-UHFFFAOYSA-N 311.341 2.691 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCc1ccc2ccccc2c1 69041262 AWKBEIYPLQUBOM-UHFFFAOYSA-N 316.382 2.923 0 40 DFAB O=C1CCCN1CCCSc1ccc2c(c1)OCCCO2 58159789 ZVROMEUYLLBQFW-UHFFFAOYSA-N 307.415 2.953 0 40 DFAB COc1cccc(-c2nc(CN3CCC[C@H](O)C3)cs2)c1 44867476 TWTVCGLGQYSMMM-AWEZNQCLSA-N 304.415 2.775 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@@H](C)OC[C@@H]1CCCCO1 58313431 SZSGHCIIKQYKKB-WBVHZDCISA-N 305.418 2.928 0 40 DFAB CC(C)[C@@H](C)NC(=O)Nc1ccc(CN2CCOC2=O)cc1 58342598 HVESIFFDUFVMCR-GFCCVEGCSA-N 305.378 2.805 0 40 DFAB CCCCS(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1 27916717 IDTZWZBBLHYWNG-UHFFFAOYSA-N 311.382 2.612 0 40 DFAB CN(C)c1ccc(CCCNC(=O)c2n[nH]c3ccccc23)cc1 58759725 KXGKWDPWQIDBGL-UHFFFAOYSA-N 322.412 2.992 0 40 DFAB COc1ccc([C@H](NC(=O)N2CCSCC2)C2CC2)cc1 45316955 XKHNUFXWCAVVNT-OAHLLOKOSA-N 306.431 2.905 0 40 DFAB C[C@H]1CCc2c(C(=O)N(C)CC(=O)NC(C)(C)C)csc2C1 12790203 AHRCUPANSRZEDD-NSHDSACASA-N 322.474 2.860 0 40 DFAB O=C(C[C@@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 48286667 XXUBMGQJSZCQHX-WBVHZDCISA-N 312.413 2.823 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)[C@@H](C)SCc1ccccc1 48356325 ILJMQGPMGSNANQ-UONOGXRCSA-N 303.431 2.710 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccc3nccnc3c2)c1 3419814 CMXGTPOILQZXDJ-UHFFFAOYSA-N 307.353 2.911 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3occc32)cc1 12972370 LJURDYYBCPJGLJ-AWEZNQCLSA-N 307.371 2.644 0 40 DFAB CC[C@@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1 13135952 OKZZGKNJMNNYIT-IAGOWNOFSA-N 307.434 2.837 0 40 DFAB CON(C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 49222481 RXMPKDAFXUMTRG-UHFFFAOYSA-N 300.145 2.813 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2CCOc2ccc(F)cc2)n1 69452946 PCLQUGDYBRDGMC-MRXNPFEDSA-N 318.396 2.577 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]cn1 13692569 OSEFCQVURKPVJQ-UHFFFAOYSA-N 312.398 2.814 0 40 DFAB O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)N1 14010102 QZEGEBULCBWMQB-ZROIWOOFSA-N 312.300 2.585 0 40 DFAB CCOCCO[C@H](C)C(=O)NCC1(c2ccc(F)cc2)CCC1 65626836 DFSGFQNOELKWOC-CQSZACIVSA-N 323.408 2.805 0 40 DFAB O=C(COc1ccc2ccccc2c1)NC(=O)NCc1ccco1 6652032 OYAYSMJPHWKROP-UHFFFAOYSA-N 324.336 2.838 0 40 DFAB Cc1noc(CCCNC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)n1 66724480 NATMKSVLHDOJPW-HHPSJXNDSA-N 315.373 2.857 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1C(F)(F)F 90230740 SLDRYKGCSBZTKE-UHFFFAOYSA-N 305.281 2.538 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 7405418 IYTALOKCBCZFGJ-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB Cn1cc(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)cn1 71903024 DBLAEVIAOBQGQD-UHFFFAOYSA-N 307.781 2.547 0 40 DFAB COc1ccc(/C=C2/SC(=O)NC2=O)cc1OC(F)F 96662781 BFVHTICRIUGSGP-WEVVVXLNSA-N 301.270 2.621 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)NCCCn1cccn1 71799623 QFIZYMVNTQICQL-UHFFFAOYSA-N 316.405 2.516 0 40 DFAB CC(C)(CC(=O)N[C@H](c1ccccc1)c1ccco1)C(=O)O 96406734 WGOPIJQOWLEOGI-OAHLLOKOSA-N 301.342 2.986 0 40 DFAB Cc1ccc(NC(=O)CN(C)Cc2nccn2C(C)C)cc1 72280260 XIWDPPNJYHWRJP-UHFFFAOYSA-N 300.406 2.843 0 40 DFAB CCc1cc(CNC(=O)N[C@H]2CCCOc3ccccc32)[nH]n1 72290869 PHSZPXXGEFMQPP-HNNXBMFYSA-N 314.389 2.685 0 40 DFAB C[S@](=O)c1ccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1 97047291 DPCSGRBSFANGTK-MCMMXHMISA-N 324.446 2.892 0 40 DFAB O=C(c1ccccc1O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 97032766 OMHKNNFBIVWGEJ-IUODEOHRSA-N 301.342 2.714 0 40 DFAB Cc1ccccc1[C@H](CC(=O)N1CCCCCCC1)NC(N)=O 84235090 CRHZNEFAYXOJDP-INIZCTEOSA-N 317.433 2.887 0 40 DFAB Cc1ncc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)s1 84290614 ZCVFLOKNLDMSSK-VNHYZAJKSA-N 309.479 2.525 0 40 DFAB c1ccc2c(c1)CCC[C@H]2[C@@H]1CCCN1c1ccc2nnnn2n1 72313508 GTQHTJLNYYWXGR-CVEARBPZSA-N 320.400 2.608 0 40 DFAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1c(O)cccc1F 72304102 KPRVQMPTDGSZJS-UHFFFAOYSA-N 313.279 2.921 0 40 DFAB CCCCNC(=O)Nc1cc(Cl)ccc1CS(C)(=O)=O 76081712 NVYYJBVPMAENOZ-UHFFFAOYSA-N 318.826 2.806 0 40 DFAB c1ccc(-c2nnc(CN3CCC(c4cn[nH]c4)CC3)o2)cc1 97203274 MLBGWGLZDXKIGC-UHFFFAOYSA-N 309.373 2.839 0 40 DFAB CN(C(=O)COc1ccc(-c2noc(C3CC3)n2)cc1)C1CC1 95350227 IJNNAAOCFDIMKE-UHFFFAOYSA-N 313.357 2.614 0 40 DFAB C[C@H]1CN(c2cnnc(O)c2Cl)C[C@H](c2ccsc2)O1 95413869 BZEYGAWIEZDPKB-GZMMTYOYSA-N 311.794 2.864 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCCCNC(=O)C(C)C)cc1F 95440325 GSVYNLHRIVGWBY-ZDUSSCGKSA-N 323.412 2.657 0 40 DFAB CN(C1CCN(Cc2ccccc2)CC1)[C@H]1CCN(C2CC2)C1 95457099 MDYHGELKQSERGN-FQEVSTJZSA-N 313.489 2.820 0 40 DFAB CC(C)n1nccc1NC(=O)N1CCCC[C@@H]1CCN(C)C 95462212 WRCMWKRZRLHWAU-CQSZACIVSA-N 307.442 2.802 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)CCc2nc(C)no2)C12CCCCC2 98016432 NQQQOEBTPFDJSM-UONOGXRCSA-N 321.421 2.555 0 40 DFAB Cc1cccc(CNC(=O)Nc2nc(-c3ccccc3)no2)n1 95943842 IUXLFTCNXVHIHW-UHFFFAOYSA-N 309.329 2.762 0 40 DFAB CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1ccccc1Br 95948394 MSXRNEQVZUVWTQ-ZMJPVWNMSA-N 324.218 2.846 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cccs1 95953906 BJJUCKKHZDMHQD-ZDUSSCGKSA-N 304.415 2.964 0 40 DFAB CCCCC1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC)CC1 95974046 XBFDTAILNVLOFW-YMAMQOFZSA-N 309.454 2.655 0 40 DFAB C[C@@H](C(=O)Nc1nc2ncccn2n1)c1cc2ccccc2o1 75093884 RDZBXPRKXMPJRT-SNVBAGLBSA-N 307.313 2.613 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccccc2)C1 79018742 DWYOEESSCODORO-CQSZACIVSA-N 304.390 2.768 0 40 DFAB C[C@@](CO)(NC(=O)Nc1nnc(C2CC2)s1)C1CCCCC1 75144118 LKZIXCNZJHUNGN-HNNXBMFYSA-N 324.450 2.868 0 40 DFAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(O)c(Cl)c1 62001331 PXOBMSVOYCQXIQ-WBVHZDCISA-N 314.772 2.970 0 40 DFAB biogenic O=C([C@@H]1COc2ccccc21)N1CCC[C@@H](c2ccncc2)C1 552033423 AONVCZJHBIGZCT-NVXWUHKLSA-N 308.381 2.964 0 40 DFAB COC(=O)[C@H](C)[C@H](NC(=O)c1ccncc1F)c1ccccc1 79645844 UQAWMKCTNDAJFF-ABAIWWIYSA-N 316.332 2.501 0 40 DFAB COC(=O)[C@@H](c1ccc(F)cc1)N(C)Cc1csc(C)n1 78393974 OSEYDIIHVCEIRJ-CQSZACIVSA-N 308.378 2.937 0 40 DFAB Cc1ncc(COC(=O)c2cccc3c2O[C@H](C)C(=O)N3)s1 78445818 JOHBIIQEUHASII-MRVPVSSYSA-N 318.354 2.528 0 40 DFAB CSc1nc(N2CCCCC2)c(C=O)c(N2CCCC2)n1 217686956 AMSQPISGSZWWFE-UHFFFAOYSA-N 306.435 2.602 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238213 FSBRAVFWDVQKLH-DOTOQJQBSA-N 302.418 2.773 0 40 DFAB CC(C)N1CCC[C@@H](c2cccc(N3CCCOCC3)n2)C1 72365299 KVVRNCAMEJBKAI-MRXNPFEDSA-N 303.450 2.896 0 40 DFAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1 71979696 ROZGMKQMDMNTFU-CYBMUJFWSA-N 323.776 2.926 0 40 DFAB CC(=O)N1CCC[C@H](Cc2cc(NC3CCCC3)ncn2)C1 72364688 FFPCYWQHJPZXQF-CQSZACIVSA-N 302.422 2.632 0 40 DFAB CC(C)(C)c1nccc(N2CCC(NC(=O)C3CCC3)CC2)n1 1057826151 GZWHZQMGTDRPMU-UHFFFAOYSA-N 316.449 2.659 0 40 DFAB CN1CCN(c2nccc3c2C(=O)OC3(C)C)Cc2ccccc21 79002540 MOLNFMSFJHYLTL-UHFFFAOYSA-N 323.396 2.944 0 40 DFAB CN1CCN(C(=O)Nc2ccc(F)cn2)[C@H](c2ccccc2)C1 568825223 JSJTVICBVJBCKU-HNNXBMFYSA-N 314.364 2.741 0 40 DFAB COc1cccc([C@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c1 195535724 UZTDUOPAVXIZCE-IRXDYDNUSA-N 318.461 2.800 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 44890114 USZBZXYDXQCYMA-UHFFFAOYSA-N 317.370 2.681 0 40 DFAB NCCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84742438 YXLZBASBHZGJPB-UHFFFAOYSA-N 319.308 2.872 0 40 DFAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(C)=O 222820403 VEDZBCUNZSUAEO-LBPRGKRZSA-N 310.825 2.993 0 40 DFAB Cc1nccn1-c1ccc([C@@H](C)Nc2nccn3cnnc23)cc1 195544032 USFXKKKGTFIWQC-GFCCVEGCSA-N 319.372 2.792 0 40 DFAB Cc1cccc([C@@H](NC(=O)C[C@H]2CNCCO2)C(C)(C)C)c1 195543644 VQODBJPPTSFOAA-DOTOQJQBSA-N 304.434 2.577 0 40 DFAB O=C(c1ccoc1)N1CC[C@]2(CCC[C@@H](CN3CCCC3)O2)C1 96209071 CWNQFKYIPQRRQF-FUHWJXTLSA-N 318.417 2.529 0 40 DFAB Cn1cc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 97202112 CFFDQLPNUIRPIQ-UHFFFAOYSA-N 311.311 2.613 0 40 DFAB CC[C@@H](C)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 191717818 WIFZOZSPPFAQEO-SNVBAGLBSA-N 306.797 2.891 0 40 DFAB COc1ccc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)cc1 96053591 IXHQRAKIVMRCTJ-QFBILLFUSA-N 322.408 2.790 0 40 DFAB CCN1CCc2ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc21 96434610 LJMZJDRVZZQYNF-ZDUSSCGKSA-N 319.449 2.988 0 40 DFAB CSC[C@H](C)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 96413147 IHIPDVICZXLXCL-STQMWFEESA-N 308.447 2.849 0 40 DFAB Cc1nonc1NC(=O)c1ccc(F)c(Br)c1 96443115 HJZCWAJYVDRYHY-UHFFFAOYSA-N 300.087 2.532 0 40 DFAB C[C@@H]1C[C@@H](C)[C@H](C(=O)N(CC(=N)O)[C@H](C)c2ccccc2)O1 330389350 XYKGRZGVVZGXSV-BRXULGCHSA-N 304.390 2.925 0 40 DFAB COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)n[nH]c1C 95480939 XTTGCLHXJLTNKE-LBPRGKRZSA-N 306.387 2.841 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C2CC=CC2)C1 97104004 NUWFVSSSGYKRPM-UONOGXRCSA-N 308.422 2.905 0 40 DFAB c1csc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)c1 96206889 VMTNBMPNDXIXFD-NVXWUHKLSA-N 306.475 2.967 0 40 DFAB CN1C[C@@H](c2ccccc2)CC12CCN(c1cc(N)ncn1)CC2 95520931 AEAJZWQGKNBXTI-INIZCTEOSA-N 323.444 2.517 0 40 DFAB N[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701863 WOMREOFYIYODBP-RRFJBIMHSA-N 307.802 2.607 0 40 DFAB NC(=O)c1ccccc1Nc1nccc(Nc2cccc(O)c2)n1 604941261 JBPDVMNTSXYNFF-UHFFFAOYSA-N 321.340 2.768 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257243045 IFGZICJBNCXJQY-ZDUSSCGKSA-N 309.373 2.614 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCO[C@H]2CCCC[C@H]21 41109492 ATTTYCPOLRBFFT-OLZOCXBDSA-N 302.330 2.718 0 40 DFAB CN(C)c1cc([C@H]2CCCN(C(=O)c3cccn3C)C2)ccn1 257285567 PHUJLIZLCYNHKV-HNNXBMFYSA-N 312.417 2.506 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)C(C)C)C2)n1 257242289 IBUHNMCEFUPHPN-ZDUSSCGKSA-N 313.405 2.537 0 40 DFAB O=C(c1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1ccn[nH]1 257199807 AAXBHWYDHXHCKK-AWEZNQCLSA-N 313.357 2.548 0 40 DFAB CO[C@@]1(COc2ccc(C)cc2)CCN(Cc2c[nH]nc2C)C1 585273090 AKWXLVMXMLNYAT-SFHVURJKSA-N 315.417 2.696 0 40 DFAB CCOP(=O)(OCC)O[C@H](O)C(Cl)(Cl)Cl 16688027 HMLVTGCRQBZARH-YFKPBYRVSA-N 301.490 2.873 0 40 DFAB C[C@H](NNC(=S)N1CCCC1)c1cc2ccccc2cn1 16941016 IKBMYYMQJBMKIQ-LBPRGKRZSA-N 300.431 2.771 0 40 DFAB CC(C)CC[C@H](C)NC(=O)CCn1c(=O)oc2ccccc21 18116458 ATSWENIJBBMIPX-ZDUSSCGKSA-N 304.390 2.926 0 40 DFAB CC(C)OC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 5317131 ITBQPHAOLPMVQV-UHFFFAOYSA-N 315.156 2.655 0 40 DFAB Cc1ccc(C(=O)N2CCC(Nc3ccncn3)CC2)cc1C 1888853237 ZWVFWVISWJTRDL-UHFFFAOYSA-N 310.401 2.810 0 40 DFAB O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)C1CC1 1058097064 FDBYCKSQNKDFAV-GFCCVEGCSA-N 301.415 2.791 0 40 DFAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(N(C)C)C3)cc1 1565542122 RIZGNBGTSAFOKB-UHFFFAOYSA-N 300.446 2.870 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3cc(F)ccc3F)cnc2s1 4517296 VQMMZRXXEABLSW-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccsc1 13724175 KJDQALJBSIQFBW-UHFFFAOYSA-N 308.790 2.965 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2ccsc2)cc1F 13725061 GVNHIKUJPKCSHB-UHFFFAOYSA-N 315.391 2.764 0 40 DFAB COC(=O)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC)c1C 2056123790 ZURZNHGEWZEOOI-UHFFFAOYSA-N 308.330 2.524 0 40 DFAB Cc1csc([C@@H](NC(=O)c2ccnc(N(C)C)c2)C2CC2)n1 96425427 OZNPCATYBHFPKT-AWEZNQCLSA-N 316.430 2.794 0 40 DFAB CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2c(C)cccc21 100485581 HUSTYWQFJJIGTR-QGZVFWFLSA-N 308.381 2.762 0 40 DFAB CCN(CC)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 40121073 AXZOOHRBMSHMOL-CHWSQXEVSA-N 306.410 2.569 0 40 DFAB COc1cccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)c1 100184159 ZJMZUOCBTFCXPK-INIZCTEOSA-N 323.331 2.877 0 40 DFAB CSc1nnnn1-c1cccc(NC(=O)C[C@H]2C=CCC2)c1 31466136 XSCJFVRPSGTSQO-NSHDSACASA-N 315.402 2.679 0 40 DFAB C[C@@H](CNC(=O)CC(F)(F)F)N1CCc2ccccc2C1 45527997 KSVATTKPAQBYHH-NSHDSACASA-N 300.324 2.502 0 40 DFAB COc1cc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc(OC)c1OC 235137 HAXNJCFMCFBBSO-RPVQJOFSSA-N 321.417 2.668 0 40 DFAB biogenic Cc1ccc(SCCNC(=O)c2ccc3[nH]nnc3c2)cc1 16495035 CTOMAJBCFBLVMJ-UHFFFAOYSA-N 312.398 2.788 0 40 DFAB O=Cc1cn(-c2ccccc2)nc1C1=C[C@@H]2C=CC=C[C@@H]2OC1=O 804859 NDHJKZQRXWLWKI-GUYCJALGSA-N 318.332 2.736 0 40 DFAB CCN(C(=O)COC(=O)c1ccc(OC)cc1)c1ccccc1 51356641 MFNYFPQQAXNLHF-UHFFFAOYSA-N 313.353 2.905 0 40 DFAB CCCC[C@@H](CC)CNC(=O)[C@@H](c1ccccc1)n1cnnn1 32071263 VDXIKYJZVHBXCF-GDBMZVCRSA-N 315.421 2.595 0 40 DFAB CCC[C@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@H]2O1 4098447 VAYQNUBOZLPGDH-OLXJLDBKSA-N 308.330 2.579 0 40 DFAB in-vitro C1=C[C@H]2C[C@H]1C[C@H]2CNC1CCN(CCc2ccncc2)CC1 101542756 ZKBLMYJGBQUFNZ-FHWLQOOXSA-N 311.473 2.890 0 40 DFAB Cc1ccc(-c2nc(CN3C(=O)NC(C)(C)C3=O)co2)c(C)c1 29363040 VXXLCCOGBUABOC-UHFFFAOYSA-N 313.357 2.789 0 40 DFAB CCCNC(=S)N1CCN(c2nc3ccccc3s2)CC1 4216725 LFKYOZXMTLXMDI-UHFFFAOYSA-N 320.487 2.703 0 40 DFAB CCOC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 81472554 NSXZGXRDGLKDBP-QWHCGFSZSA-N 324.396 2.963 0 40 DFAB O=c1c2c([nH]c3nc(-c4cccc5ccccc45)nn13)CCC2 101823676 CFPCBHWLCBKWFN-UHFFFAOYSA-N 302.337 2.727 0 40 DFAB COc1ccc(C)cc1-n1nnnc1S[C@H]1CCCCC1=O 6033373 UTUUEDXXPUOAPY-AWEZNQCLSA-N 318.402 2.583 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)c2nn(C)cc2Br)[C@@H]1C 6525600 GHCBYNTZZOJEPD-IQJOONFLSA-N 314.227 2.737 0 40 DFAB Nc1ncc(Br)nc1N1CCC[C@@H]1c1ccccn1 6733656 JQCDKLCWAMRVAS-SNVBAGLBSA-N 320.194 2.558 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2cccc3cnccc23)cc1 21218562 CJKHUAPHQAULLZ-UHFFFAOYSA-N 319.364 2.912 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncccn2)c1 6910899 HIWQLRYGGBAPAR-LLVKDONJSA-N 301.371 2.799 0 40 DFAB COc1ccccc1C(=O)NCC(=O)OCC1CCCCC1 7238455 ZOOPGCGRWYICES-UHFFFAOYSA-N 305.374 2.549 0 40 DFAB CCn1nnnc1NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7602349 QRQUZTWXDUSZNN-NSHDSACASA-N 313.361 2.618 0 40 DFAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H]1CCO[C@H](C)C1 108155182 XJGVYOMYQOXCFH-SCVCMEIPSA-N 315.772 2.930 0 40 DFAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)/C=C/c1cccs1)CCO2 107720592 NRJHBWNQRWLXAR-DPSMGAKISA-N 307.415 2.556 0 40 DFAB O=c1cc(Cc2ccccc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 8020726 RWURDDAJKRUFNQ-UHFFFAOYSA-N 317.348 2.598 0 40 DFAB Cc1ccc(SCC(=O)NCCCN2CCCC2=O)c(C)c1 2618766 UXLHHEOCYUPZCL-UHFFFAOYSA-N 320.458 2.524 0 40 DFAB CN([C@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 104135386 TVLVZAXEEKADAF-IQDGFBTQSA-N 321.442 2.732 0 40 DFAB COc1cc(NC(=O)[C@H]2CCCCN2)ccc1OCC(C)C 541508 VBNBNRGUOJCTJP-CQSZACIVSA-N 306.406 2.811 0 40 DFAB COc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1 9235970 RWMIUJJKCJKGRR-UHFFFAOYSA-N 315.325 2.534 0 40 DFAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCCC2)o1 41637593 QPXHGORAAZASEQ-LLVKDONJSA-N 304.375 2.583 0 40 DFAB C[C@H](c1ccccc1F)N(C)CCCN1C(=O)NC(C)(C)C1=O 53125156 BDSFULHPCHGXBM-GFCCVEGCSA-N 321.396 2.539 0 40 DFAB CC1CCN(C(=O)CSc2nc(N)c3ccsc3n2)CC1 9835860 PXIASENBDSEHPY-UHFFFAOYSA-N 322.459 2.624 0 40 DFAB CC(C)NC(=O)[C@H](C)Oc1ccc(OCc2cccnc2)cc1 54274777 YAZAHHLQUQSCOB-AWEZNQCLSA-N 314.385 2.953 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCN(C2CC2)CC1 89813440 UCVGQQFAHKGZHM-HUUCEWRRSA-N 304.821 2.750 0 40 DFAB Cc1cc2c(c(=O)o1)[C@@H](C)C[C@@H](c1c(O)cc(C)oc1=O)O2 104266827 HYZREXXZIIBUGU-CPCISQLKSA-N 304.298 2.543 0 40 DFAB O=C(c1cccnc1N1CCCC1)N1CCc2ccccc2C1 24601795 YRMGLXKEZLEOMQ-UHFFFAOYSA-N 307.397 2.880 0 40 DFAB Cc1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)on1 55451630 JAIMVDHGVASDGZ-UHFFFAOYSA-N 318.348 2.600 0 40 DFAB CCOc1ccccc1OC1CCN(C(=O)[C@H]2CCCO2)CC1 55614819 JQYPLNCIDPWQNN-QGZVFWFLSA-N 319.401 2.634 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H](C)c2nc(C(C)C)no2)[C@@H](CC)C1 107323647 GGIWWTWMKLAHQZ-RDBSUJKOSA-N 322.453 2.881 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCSc2ccccc21 47871020 BSSALRDRKIFZTD-OCCSQVGLSA-N 316.430 2.808 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 27475936 AZBIHUINZMZNKS-UHFFFAOYSA-N 323.396 2.735 0 40 DFAB O=S(=O)(NCCc1cccc2cccnc12)c1cccs1 44895652 CQRFMCYGPKDBNP-UHFFFAOYSA-N 318.423 2.817 0 40 DFAB OCc1cc(F)cc(CO)c1OCc1nc2ccccc2o1 44871870 DRTVKJPCHIVBRR-UHFFFAOYSA-N 303.289 2.531 0 40 DFAB Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)no1 58282700 HEILVPOOXROATQ-GFCCVEGCSA-N 319.792 2.893 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@H]1c1ccco1 58340923 DBRZDXYVOMTRIO-OLZOCXBDSA-N 308.341 2.911 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N2CC=C(c3ccccc3)CC2)C1 27974084 RBXDJYNAIYZDQH-HNNXBMFYSA-N 320.458 2.752 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(C(N)=O)cc2)C1(C)C 58403973 PVWLLTDJPZAZMA-HUUCEWRRSA-N 300.402 2.640 0 40 DFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccn1 28200229 SAALYHGILSENTP-UHFFFAOYSA-N 314.433 2.800 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccnc1Cl 3312944 JZHILOUHDUMPED-ZYHUDNBSSA-N 310.781 2.587 0 40 DFAB O=C(COC(=O)c1cccc(Cl)c1)NCc1cccs1 3385616 RADWLRXIAUSBBH-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)Nc1cccc(F)c1 69631157 KPNGVCCPBUYTKK-UHFFFAOYSA-N 301.281 2.526 0 40 DFAB CC[C@@H](C)NC(=O)CCNCc1cc(Br)cs1 37997235 DFZPCJJXYKACQA-SECBINFHSA-N 319.268 2.905 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc[nH]c3C)C2)c1 81842950 SCQVGUIJSZJYNM-ZDUSSCGKSA-N 314.385 2.970 0 40 DFAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(N)=O 3402335 JOOPDVZWXFFRBR-SNVBAGLBSA-N 318.446 2.746 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)NCC1(C)Cc2ccccc2C1 91802993 LCXBUTOSEOATEF-UHFFFAOYSA-N 311.429 2.880 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(=O)[nH]c1 12945122 IBJUEIIHLNBDDW-UHFFFAOYSA-N 311.168 2.954 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C(C)C)C(C)C)c1C 3531969 VFAFVQUXXGYUHS-UHFFFAOYSA-N 322.405 2.636 0 40 DFAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)oc1C 8333754 FNULTXAYGCPZOU-UHFFFAOYSA-N 306.343 2.751 0 40 DFAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CC=CCC1 8404149 XGWWWBIVQIJYEH-GFCCVEGCSA-N 305.374 2.685 0 40 DFAB O=C(CNc1cccc(OC(F)(F)F)c1)NCc1ccco1 65553770 FWNSHGINYKAZBY-UHFFFAOYSA-N 314.263 2.907 0 40 DFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 5360680 JECXJYAEPUZKRG-NSHDSACASA-N 324.336 3.000 0 40 DFAB CC(=O)N[C@H](C(=O)NCc1ccc(Cl)cc1Cl)C(C)C 6434062 RCICJYBKLUKNDC-ZDUSSCGKSA-N 317.216 2.770 0 40 DFAB CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCOCC2)c1 65605495 VWMCEQIEAVGRLF-UHFFFAOYSA-N 324.424 2.791 0 40 DFAB Cc1ccc(O)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 29836404 RRSTZWLNHQRVIT-MRXNPFEDSA-N 316.376 2.872 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cnccc2C)cc1 80039300 DFPZMAGWYMBGOO-KRWDZBQOSA-N 323.396 2.828 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 7381932 NQAZFBYIYKVCSO-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB CC[C@@H](Nc1cccc(OC)c1)C(=O)Nc1nnc(C)s1 7467864 VYTKFNBNRKVXRF-GFCCVEGCSA-N 306.391 2.684 0 40 DFAB C[C@@H](CCCN(C)C)OC(=O)[C@H]1CCCN1Cc1ccccc1 96013344 FGMNNUMZCHKYSF-FUHWJXTLSA-N 318.461 2.925 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(F)c1 83927841 SJENNLRVFLTSEK-HNNXBMFYSA-N 303.337 2.925 0 40 DFAB C[C@H](CC[C@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1 83648943 DYKVXIVPUHQEJM-CHWSQXEVSA-N 300.468 2.871 0 40 DFAB CC[C@@H](NCCCn1ccnc1)c1ccc2c(c1)OCCO2 89947849 UFLCOPGXMSXBFM-OAHLLOKOSA-N 301.390 2.785 0 40 DFAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 71854088 BOHWYFZJZZRJBY-ZJUUUORDSA-N 318.295 2.623 0 40 DFAB COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@H](OC)C1 71884681 XOSJMSSEEUMQSJ-ZBFHGGJFSA-N 305.418 2.901 0 40 DFAB COc1ccc2nc(C)cc(C(=O)NCc3cc(C)on3)c2c1 72295296 CLXZEZWHGOBBKO-UHFFFAOYSA-N 311.341 2.778 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1noc(C2CC2)n1 72253586 MMXQYXHVXWEUCK-CYBMUJFWSA-N 301.394 2.634 0 40 DFAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ncccc2Cl)C1 97046957 IXSJWHQZOLMZKF-RYUDHWBXSA-N 323.824 2.958 0 40 DFAB O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCSCC1 97143245 XMETVGSRLYZFFK-GJZGRUSLSA-N 306.431 2.665 0 40 DFAB Cn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 95381733 ZCVWIXDQWXDALR-ZIAGYGMSSA-N 308.341 2.817 0 40 DFAB C[S@](=O)c1ccc(NCc2ccc3c(c2)OCCO3)cc1 95428774 QYCVGFYDYMBUBW-OAQYLSRUSA-N 303.383 2.807 0 40 DFAB CC(C)c1nc([C@@H]2CN(c3cccc(F)c3C#N)CCO2)no1 95938945 CGVDZWJKEUFBIS-AWEZNQCLSA-N 316.336 2.782 0 40 DFAB CCCc1nnc(NCc2cc(OC)cc3c2O[C@H](C)C3)o1 95990044 GDEUDWDTXXQNQZ-SNVBAGLBSA-N 303.362 2.966 0 40 DFAB COc1cc(CCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)ccc1O 74264945 OGXWPHBVJACYDF-GASCZTMLSA-N 316.401 2.551 0 40 DFAB C[C@H](NCC[C@@H]1CCCO1)[C@@H](c1ccccc1)N1CCOCC1 79015275 IEZOAAPBRHDMNS-WDSOQIARSA-N 318.461 2.607 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n(C)n1 89591708 PILAMRODFUPXAD-CYBMUJFWSA-N 317.364 2.900 0 40 DFAB COC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1N 75110282 LSHLANTWBVNLPP-MRXNPFEDSA-N 304.777 2.774 0 40 DFAB CC(=O)c1cnc(NC(=O)/C=C/c2cnc3ccccc3n2)s1 75141596 HSLLDOXLADXTCE-VOTSOKGWSA-N 324.365 2.941 0 40 DFAB Cc1ccc(CNC(=O)c2ccc[nH]2)c(OC[C@H]2CCCO2)c1 89623751 YIXCJWRSZAKVCW-OAHLLOKOSA-N 314.385 2.811 0 40 DFAB CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2 170495640 XQYJIOFCSSPPOG-UHFFFAOYSA-N 319.357 2.652 0 40 DFAB CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1 67889780 YWQDCVDUSWTGGP-DOMZBBRYSA-N 321.465 2.856 0 40 DFAB biogenic,in-vitro S=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 408573825 ONMJKCWIBRDUSL-UHFFFAOYSA-N 315.350 2.609 0 40 DFAB C[C@@H](NC(=O)CN(C)C(=O)Oc1ccccc1)c1ccccc1 409004173 WTSUDNCDLQCDIM-CQSZACIVSA-N 312.369 2.995 0 40 DFAB Cn1cc(NC(=O)Nc2nnc(CC3CCCC3)s2)cn1 78441597 FCFVJFVLIIFXQS-UHFFFAOYSA-N 306.395 2.648 0 40 DFAB c1ccc(-n2ccc(CNc3nnc([C@H]4CCCO4)o3)n2)cc1 181792619 OLZSCBDGXZLVNZ-CQSZACIVSA-N 311.345 2.719 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@@](C)(O)c1ccccc1 79349381 CHMUPWOAGLEWSL-MRXNPFEDSA-N 304.415 2.763 0 40 DFAB Cc1cc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)ncn1 72355584 QGNDJODEOZGPRI-OAHLLOKOSA-N 320.400 2.750 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354594 IFWBVYAAQYAMNQ-CQSZACIVSA-N 300.337 2.548 0 40 DFAB O=C(NC[C@@]1(O)CCCNCC1)c1ccccc1-c1ccccc1 72166065 JBXAIPXLBOBJCR-HXUWFJFHSA-N 324.424 2.588 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1 77733009 WAGCCXMXJFXRBK-CQSZACIVSA-N 304.390 2.560 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 74957513 ODLOGGULLJUUCE-UHFFFAOYSA-N 323.352 2.921 0 40 DFAB COc1cccc([C@@H](O)CNC(=O)CCc2ccsc2)c1 78929786 AHCSZNNGOYKWFT-HNNXBMFYSA-N 305.399 2.539 0 40 DFAB O=C(c1ccnc2ccncc12)N1CCOc2cc(F)ccc21 185688211 GTMDZXYZSGJMOO-UHFFFAOYSA-N 309.300 2.808 0 40 DFAB CCO[C@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 225723089 ZRGYPLSFBCDKPM-SFHVURJKSA-N 320.433 2.771 0 40 DFAB C[C@H](C(=O)O)[C@H](NC(=O)Cc1ccsc1)c1ccccc1 195551157 ARDNSLSQCHDZGH-NHYWBVRUSA-N 303.383 2.869 0 40 DFAB O=C(COc1ccccc1F)NCCSCc1ccco1 138686011 GMSPRKSRGWOIJI-UHFFFAOYSA-N 309.362 2.847 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N[C@H]1CC[C@@H](N(C)C)C1 195579921 QAVGCNVNNVSXBT-UONOGXRCSA-N 324.852 2.880 0 40 DFAB Cc1ccc(CC(=O)NC[C@@H]2COc3ccccc3O2)c(C)c1 225281015 REJXYYFADFMWOO-MRXNPFEDSA-N 311.381 2.802 0 40 DFAB CO[C@@H](CNC(=O)Cc1ccccc1O)c1ccc(F)cc1 84407008 CZGQBZANXYSEIK-INIZCTEOSA-N 303.333 2.578 0 40 DFAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CCO)c2ccccc21 85430410 HFJBPFGAWSNMDP-SFHVURJKSA-N 306.365 2.716 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2cccc(-n3ccnn3)c2)no1 195545919 HKUQCBQRGLQAKM-MRXNPFEDSA-N 323.356 2.541 0 40 DFAB O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCOC1 97372098 XRWVYZKMRJWNBQ-WRWORJQWSA-N 309.234 2.721 0 40 DFAB CN1CCC[C@H](CN(C)C(=O)Nc2cc(C(C)(C)C)on2)C1 96434599 SAJIRYGZVIUJDQ-LBPRGKRZSA-N 308.426 2.778 0 40 DFAB COC(=O)N1CCC[C@H](N[C@H](C)CCc2ccc(O)cc2)C1 97095437 QWTCUKHDXQVNMM-HIFRSBDPSA-N 306.406 2.534 0 40 DFAB COC[C@H]1CC2(CCN(c3ccc(C)nn3)CC2)CN1C(C)C 96240307 GOIZMKINCXPCJF-MRXNPFEDSA-N 318.465 2.501 0 40 DFAB COCc1cccc(CN[C@H](C(=O)OC)c2ccc(F)cc2)c1 96410403 VYSWQEXEDZPRAN-KRWDZBQOSA-N 317.360 2.976 0 40 DFAB O=C(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)c1ccco1 96206113 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312.413 2.994 0 40 DFAB Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)ccc21 4193256 YXAZLKHZEUFZPX-UHFFFAOYSA-N 317.341 2.510 0 40 DFAB Cc1cc(NC(=O)C(=O)NCc2ccccc2)c2ccccc2n1 10327132 CDYPTELGXKABAE-UHFFFAOYSA-N 319.364 2.798 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)COc3ccccc3C)ccc21 17288856 WZUFEQSUYSVAOA-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CN1C(=O)CCC[C@]12CCCN(Cc1ccc(F)c(F)c1)C2 2055814208 OZNLTMKUZXEMNE-QGZVFWFLSA-N 308.372 2.942 0 40 DFAB CC[C@@](CNc1ncnc2c1cnn2C)(OC)c1ccccc1 1775972526 JICHMNIGDUIULI-KRWDZBQOSA-N 311.389 2.727 0 40 DFAB Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N(C)C 23105606 VAAHBQUFBHSALO-AWEZNQCLSA-N 318.442 2.854 0 40 DFAB CC[C@]12OC(=O)CN1N(C(=O)C(C)C)c1ccccc1[C@H]2C 38337641 GZCNHJAIDILMIB-SJKOYZFVSA-N 302.374 2.673 0 40 DFAB Cc1nnc(NC(=O)NCC2(N(C)C)CCCCCC2)s1 40103492 WQESIMIAWGMMGO-UHFFFAOYSA-N 311.455 2.623 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 50735563 RPBFWIBHJFUEJY-UONOGXRCSA-N 320.408 2.983 0 40 DFAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Br)cc1 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FFALFNQBJWRDAO-LLVKDONJSA-N 310.806 2.916 0 40 DFAB COc1cccc(OCC(=O)NCCSc2ccccc2)c1 60970502 RTGFFSGVAWIXJL-UHFFFAOYSA-N 317.410 2.983 0 40 DFAB CC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(C)(F)F)C1 408999246 QHTAAZRXDRHMOY-CYBMUJFWSA-N 302.708 2.906 0 40 DFAB Nc1cccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)c1 32207735 FQCQBXHAQLTZNA-MDZDMXLPSA-N 307.397 2.631 0 40 DFAB COCc1nc2n(n1)CCC[C@H]2N[C@H](C)Cc1ccccc1F 188153753 SKDUDZPQJMVTJO-IUODEOHRSA-N 318.396 2.619 0 40 DFAB O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ccco1 71195630 SZXKVGWPFUCOSU-ZDUSSCGKSA-N 308.341 2.668 0 40 DFAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1 42645698 XXEUXELOQOYGOE-UHFFFAOYSA-N 312.369 2.729 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c(C)c1 226387920 CBUGEEDRWFOKJU-QHNADIDASA-N 322.408 2.726 0 40 DFAB Cc1csc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)c1 225455202 CXCRRLAUGOSUQE-GFCCVEGCSA-N 303.387 2.530 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NCC(C)C 224452505 YDMFSBZUODLKMP-AWEZNQCLSA-N 320.433 2.595 0 40 DFAB CC(C)NCCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 199800480 ZVPPGIHNQKZOKC-UHFFFAOYSA-N 324.791 2.818 0 40 DFAB NC(=O)C1CCN(c2ccccc2N[C@H]2CCCSC2)CC1 97371097 KJAXSLABJVKKKV-AWEZNQCLSA-N 319.474 2.696 0 40 DFAB O=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@@]2(CCOC2)C1 96461980 FDWDUJICKSMJQF-QGZVFWFLSA-N 318.392 2.679 0 40 DFAB Cc1cccn2c(CN3CCC[C@H](Cc4nccn4C)C3)cnc12 97377014 RIMPFKKIGVPAPJ-MRXNPFEDSA-N 323.444 2.831 0 40 DFAB Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccon1 96500770 YMOPPAFCIBJAHQ-UHFFFAOYSA-N 306.265 2.803 0 40 DFAB CCOC(=O)c1ccc(OCC2CCN(C)CC2)c(OC)c1 95830608 LRHBZJAIQBBNFI-UHFFFAOYSA-N 307.390 2.593 0 40 DFAB Cc1nc2ccccc2nc1SC[C@H](C)CS(C)(=O)=O 96465929 PGRSBXYHEDZEMI-JTQLQIEISA-N 310.444 2.711 0 40 DFAB CCOC(=O)c1c(C)noc1-c1ccc(Br)cn1 91695919 JIMAYWRKZVHOBZ-UHFFFAOYSA-N 311.135 2.984 0 40 DFAB COc1ccc(C)nc1NC(=O)Nc1cnn(C(C)(C)C)c1 97378706 QFFINDUDDNIKQG-UHFFFAOYSA-N 303.366 2.994 0 40 DFAB COc1cccc(CCCN2C(=O)CN(C3CCCC3)C2=O)c1 96422236 QQHHUTQRUUMNOZ-UHFFFAOYSA-N 316.401 2.835 0 40 DFAB CCc1nnc(NC(=O)N[C@H]2CCC[C@H](SC)C2)s1 96409700 PYTBVLXLQLMTRR-IUCAKERBSA-N 300.453 2.896 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)N1CC[C@H](Oc2cccnc2)C1 96474754 WQKYCAGHIFSUHY-FUHWJXTLSA-N 323.396 2.932 0 40 DFAB CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)C2CC2)o1 96417154 OZJSUAQKGAWGBK-HNNXBMFYSA-N 318.417 2.812 0 40 DFAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1ccc2[nH]ncc2c1 97109113 LTCXLJZQWCZAIS-INIZCTEOSA-N 323.352 2.817 0 40 DFAB CN1C(=O)CN(C(=O)[C@H]2CSc3ccccc32)c2ccccc21 96450784 LMKHNUHUZPZIMR-ZDUSSCGKSA-N 324.405 2.886 0 40 DFAB COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCCCC2)c1 242560561 CEHPPZMJBVPBJI-UHFFFAOYSA-N 324.808 2.941 0 40 DFAB Cc1nccc(N2CCC3(CC2)CO[C@@H](Cc2ccccn2)C3)n1 257307935 TUTTUZVFZIKOFI-KRWDZBQOSA-N 324.428 2.798 0 40 DFAB Cc1ccc(OCC(=O)O)c([C@@H]2Cc3ccccc3C(=O)O2)c1 256027858 GWSXXLYROONESJ-INIZCTEOSA-N 312.321 2.913 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cc(C)no2)[C@H]1Cc1ccccc1 585268878 CCJWKFDWKBIJAA-HOTGVXAUSA-N 314.385 2.845 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@@H](c2nc(C)no2)C1 52861727 HPWSDGVFAXGJHG-GFCCVEGCSA-N 305.353 2.905 0 40 DFAB Cc1cccc(C[S@@](=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1 66297039 VSLUSKMWPOQKMK-PXARDIRTSA-N 307.459 2.939 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N2CCc3[nH]c4ccccc4c3C2)on1 69736941 RFTHYAKGAYNDFM-GFCCVEGCSA-N 324.384 2.850 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2nc3c(F)cccc3[nH]2)no1 75582646 VMJDKUQKWVHHCZ-LBPRGKRZSA-N 315.352 2.985 0 40 DFAB CNc1nc(C(F)(F)F)c(Br)cc1C(=O)OC 168341025 WXOJDOPQEWNKQG-UHFFFAOYSA-N 313.073 2.691 0 40 DFAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 579479 CIAOZAVLLIOSLW-BQYQJAHWSA-N 322.792 2.654 0 40 DFAB CC(=O)O[C@@H]1CCC2=C3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)[C@@H]2C1 5029416 RXRGTWKBQFDKKQ-IOTHUQLXSA-N 316.397 2.993 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1 5611401 LOOOCYKQZHQPKP-HNNXBMFYSA-N 314.410 2.757 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)cc(C(=O)OCC)c1 12763081 SGRORVRNNPYXDZ-YGRLFVJLSA-N 319.357 2.635 0 40 DFAB CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 13632625 VBORZNGKANFREW-UHFFFAOYSA-N 313.382 2.772 0 40 DFAB O=S(=O)(c1ccccc1)C12[C@@H]3CCC[C@H]1C32Br 18059401 BPGSJKMVNCYDEN-MPEURRAXSA-N 313.216 2.776 0 40 DFAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccnc1 19934222 BTIPZIUJVYCMRK-INIZCTEOSA-N 300.358 2.564 0 40 DFAB COc1ccc(C(=O)O[C@H](C)[C@H](O)c2ccc(OC)cc2)cc1 14504544 MHJLKHNHGMUAPQ-PXAZEXFGSA-N 316.353 2.983 0 40 DFAB endogenous,in-man Cc1cnc([C@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH]1 1848352215 DXPALTSSWOAITR-NSHDSACASA-N 312.348 2.968 0 40 DFAB C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@H](C)O1 31865429 ACTYIJWVKQVFRY-STQMWFEESA-N 316.426 2.988 0 40 DFAB Cn1cc([C@@H]2CCCCN2c2cc(C(F)(F)F)ncn2)cn1 1776008954 DAFKTVGHGBLHFF-NSHDSACASA-N 311.311 2.961 0 40 DFAB O=C1C=C(N2CCN(c3ccccc3)CC2)C2(CCCCC2)O1 4708817 IVCHAUIACUZTCH-UHFFFAOYSA-N 312.413 2.952 0 40 DFAB COc1ccc(NC(=O)Nc2c(C)nc3ccccn3c2=O)cc1 11694601 JZPLNQYCUFJJAQ-UHFFFAOYSA-N 324.340 2.656 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3)oc12 191935 ZVQHAIHBPQORGA-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB O=C1CSc2c3c(c4ccccc4c2O1)OC(=O)CS3 28457629 QJEUUTZXDKIZOC-UHFFFAOYSA-N 304.348 2.862 0 40 DFAB O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccccn2)CC1 74955013 SSYMWVFRLKDDSE-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(C(C)(C)C)cc1 96415247 KQZIRPQCSLFNRE-SWLSCSKDSA-N 317.433 2.575 0 40 DFAB C[C@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 40052233 ZKWLYBVDKJXZOY-PHIMTYICSA-N 307.781 2.999 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cccc(O)c1)N2 30540710 RLDXBCVRPAXGRS-INIZCTEOSA-N 314.341 2.606 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@H]2CC[C@@H](SC)C2)c1C 83836693 KOPAZYJYPMKQMS-QWHCGFSZSA-N 310.467 2.603 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)c1c[nH]c(C(=O)N2CCCC2)c1 40555387 SHVWRXWORKLVOU-UHFFFAOYSA-N 323.396 2.992 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)NC1CCCCCC1 40510978 KBWJESCEBXLZRA-UHFFFAOYSA-N 314.389 2.903 0 40 DFAB CCCc1noc(CN2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)n1 51051496 KSUBQKCEPFIFFY-KBPBESRZSA-N 322.453 2.539 0 40 DFAB COc1ccc(CC(=O)N2CCc3ccccc3C2)cc1OC 1456474 VLKXYVOYRRJZFJ-UHFFFAOYSA-N 311.381 2.831 0 40 DFAB CCc1nn2c(ncc3c(=O)[nH]ccc32)c1-c1ccc(OC)cc1 20722976 KCEXEQLWAWQXFG-UHFFFAOYSA-N 320.352 2.809 0 40 DFAB O=C(C[C@@H](NC1CCCC1)C(=O)O)Nc1ccc(Cl)cc1 6058665 QDHZLSDYOCUTIY-CYBMUJFWSA-N 310.781 2.654 0 40 DFAB Cc1sc2ncn(CC(=O)N(C(C)C)C(C)C)c(=O)c2c1C 6110930 PHPKPICKWJDOSG-UHFFFAOYSA-N 321.446 2.720 0 40 DFAB CSc1ncc(CN(Cc2sccc2C)C[C@H](C)O)cn1 57810275 GJUNWRXZEOZDSY-LBPRGKRZSA-N 323.487 2.951 0 40 DFAB CCc1c(C)nn2c(O)cc(COc3ccc(OC)cc3)nc12 100776367 ZNYNKNRUDTYUJM-UHFFFAOYSA-N 313.357 2.893 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccc[nH]1 32911885 KOSLEIDDCLJPLT-CQSZACIVSA-N 312.341 2.819 0 40 DFAB COc1ccc(CCN(C)C[C@H](O)c2ccccc2)cc1OC 2638968 CRRAPHVQWSGGJX-KRWDZBQOSA-N 315.413 2.912 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1cccc2nsnc12 21883221 AGTYZZVBXDYYHM-UHFFFAOYSA-N 303.318 2.848 0 40 DFAB CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 549722 SIKDQMNOJPZVJV-ZDUSSCGKSA-N 324.402 2.998 0 40 DFAB C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1cccs1 54319271 GGPNYIHMJMAJGN-NSHDSACASA-N 315.398 2.769 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)NCCc1cnn(C)c1 46993687 KFRHUFXACPLGMZ-CQSZACIVSA-N 318.446 2.743 0 40 DFAB CSc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccco1 7431623 NKRMVNMFWZZSMQ-LLVKDONJSA-N 319.382 2.863 0 40 DFAB CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H](C)n2cncn2)c1 47000683 BDCHVPZNUOFRIT-OLZOCXBDSA-N 302.378 2.504 0 40 DFAB COc1cc(OC)cc(C(=O)c2ccccc2OC(C)=O)c1 43209821 CJFMODMURUVMTE-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB Cc1cc(CNC(=O)c2cccn2Cc2cccs2)on1 61623182 WHIDKZXPXVANMY-UHFFFAOYSA-N 301.371 2.824 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc(Cl)ccn1)c1ccsc1 25332162 TWXAKIVGFVHNRQ-CYBMUJFWSA-N 309.822 2.829 0 40 DFAB CO[C@@H]1CCC[C@H](OC(=O)C[C@H](C)NC(=O)C2CCCC2)C1 107047793 ZFIBESOQZBDTNW-CFVMTHIKSA-N 311.422 2.572 0 40 DFAB O=S(=O)(Nc1cnc2ccccc2n1)c1ccc(F)c(F)c1 176354492 XFJGBJOBHXRBEI-UHFFFAOYSA-N 321.308 2.709 0 40 DFAB Cc1cnc(NC(=O)Cn2nc(C(F)(F)F)cc2C)s1 27936036 QPGDCLXMJSOZHH-UHFFFAOYSA-N 304.297 2.614 0 40 DFAB CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 27582823 UQWQKIUIEBZOLW-KRWDZBQOSA-N 304.434 2.675 0 40 DFAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccn(C)n2)cc1 44872955 CNVIIKUYIHGBID-UHFFFAOYSA-N 315.373 2.811 0 40 DFAB O=C(COCc1ccccc1)NCc1ccc(-n2ccnc2)cc1 58208792 VTQIEIYBMCLWJZ-UHFFFAOYSA-N 321.380 2.705 0 40 DFAB CCc1cccc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)c1 58265595 DHBRPMCPBRGFHR-KRWDZBQOSA-N 302.418 2.513 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccccc1N1CCOCC1 12534641 HXNGDZQMVCPKTE-UHFFFAOYSA-N 315.373 2.634 0 40 DFAB COc1ccccc1CN(c1ncnc2c1cnn2C)C1CC1 44976980 CIQIYZDLVPHUDX-UHFFFAOYSA-N 309.373 2.541 0 40 DFAB Cc1nn(C)c2sc(C(=O)NOCc3ccccc3)cc12 10319619 RIRUOWWRNQASCP-UHFFFAOYSA-N 301.371 2.805 0 40 DFAB CN(C)c1cc(CNC(=O)c2ccc3ccccc3n2)ccn1 48339968 PWXKUWHBBPWUER-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 12953023 VVNQGGNNCCBEHK-CZUORRHYSA-N 316.401 2.676 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccncc1 16086474 SSVYHRNOXLHXJQ-SECBINFHSA-N 314.769 2.914 0 40 DFAB COCCNC(=S)NCCc1ccc(Cl)cc1Cl 13636176 QDSFHSAUXCJREJ-UHFFFAOYSA-N 307.246 2.646 0 40 DFAB CSc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 65528626 HVOHHWKIYMBNPN-MRXNPFEDSA-N 316.382 2.969 0 40 DFAB Cc1nc(-c2ccccc2C)n(Cc2ccc(C(N)=O)cc2)n1 65536362 OUQLIXZWPOYQKJ-UHFFFAOYSA-N 306.369 2.709 0 40 DFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCC1 14108457 VFMYVEYFCOADGJ-OAHLLOKOSA-N 303.406 2.845 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cccc3ncccc23)CC1 14283123 PVCIKSBCTABQGJ-UHFFFAOYSA-N 312.369 2.650 0 40 DFAB COC(=O)c1cccc(COC(=O)c2ccc(Cl)nc2)c1 6636861 OBLWWIQVPLUEDS-UHFFFAOYSA-N 305.717 2.879 0 40 DFAB CCCCN1Cc2cccc(NC(=O)CNC(=O)CCC)c2C1 66760460 BNHXFYSDPBVPDI-UHFFFAOYSA-N 317.433 2.657 0 40 DFAB Cc1cnc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)s1 6969142 GZBPKRPSCOETBA-UHFFFAOYSA-N 323.805 2.864 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(N)=O)c(C)c1 15366349 NLILAHSHLFMCKD-CYBMUJFWSA-N 312.369 2.808 0 40 DFAB Oc1c2c(nc3nc(NCc4cccc(Cl)c4)nn13)CCC2 18270843 WHLUYVMYHHPBLR-UHFFFAOYSA-N 315.764 2.584 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118915038 JVEWXTLFKFWQPU-RLGSTEOUSA-N 306.446 2.930 0 40 DFAB Cc1ncsc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 71213062 AQFBCVVQLVPKEX-LBPRGKRZSA-N 311.451 2.941 0 40 DFAB CCn1c(S)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C 9262857 CJDMNJBMPBMIGT-GFCCVEGCSA-N 322.409 2.853 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)N1CCC(CCCn2ccnc2)CC1 96008648 WZLVHCAQESVMQC-OAHLLOKOSA-N 320.481 2.679 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCCC2)c1C 20460738 SSQHOUYWKUJZMC-INIZCTEOSA-N 304.434 2.673 0 40 DFAB CC1CCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)CC1 9367022 GKRUJHFZUBAYPM-UHFFFAOYSA-N 324.837 2.962 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 71828120 MKAQAXGIZATXHO-RBUKOAKNSA-N 324.424 2.659 0 40 DFAB CN[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 94596951 RZPHAXSZKYXYPT-JTQLQIEISA-N 304.287 2.669 0 40 DFAB COc1ccc([C@H](C)NC(=O)N2CCC[C@H](N(C)C)C2)cc1F 72274183 MZCNTFKSCWVDHI-JSGCOSHPSA-N 323.412 2.631 0 40 DFAB CCCc1ncc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)s1 72296639 HTMSLERBHMDVMV-NSHDSACASA-N 320.418 2.807 0 40 DFAB CO[C@@H](C(=O)Nc1ccccc1N(C)C(C)=O)c1ccccc1 97059315 SIXVPOFFICSKEJ-QGZVFWFLSA-N 312.369 2.996 0 40 DFAB C[C@@H](N)[C@H]1CCN(Cc2cc(F)ccc2Br)C1 97047686 QLYPAJBOTYVLMR-ZJUUUORDSA-N 301.203 2.757 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 97198378 ZTCQYXQTMWXNMC-ZIAGYGMSSA-N 301.434 2.968 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1scnc1C1CC1 97144062 YEEXQWFWWCEYAK-ZDUSSCGKSA-N 317.414 2.573 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1scnc1C1CC1 97144064 YEEXQWFWWCEYAK-CYBMUJFWSA-N 317.414 2.573 0 40 DFAB CC[C@](C)(CO)NC(=O)Nc1cc(OC)ccc1OC(C)C 72313645 YVEWASAHXDGTQU-MRXNPFEDSA-N 310.394 2.765 0 40 DFAB CCc1cnc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)s1 76066992 NNWDQICFELAYNE-UHFFFAOYSA-N 315.354 2.906 0 40 DFAB CCn1c(SCc2nncn2C)nnc1-c1ccccc1C 97200475 JCYOTTQPGRGZTO-UHFFFAOYSA-N 314.418 2.694 0 40 DFAB OCC[C@H](CNc1ncc(Br)cn1)c1ccccc1 77231718 ASNGLLKTLTYVKM-GFCCVEGCSA-N 322.206 2.817 0 40 DFAB Cc1cc(C)n(C[C@H](C)Nc2ncccc2-c2nc(C)no2)n1 95403122 RBYVFSJPFCYDCQ-NSHDSACASA-N 312.377 2.754 0 40 DFAB Cn1c(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)n[nH]c1=S 73433033 OPAVVFFFEIDKFK-UHFFFAOYSA-N 322.478 2.866 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2F)on1 73772524 XAFYAXVCWCNAOM-GFCCVEGCSA-N 317.364 2.695 0 40 DFAB Cc1ccc(F)cc1C(=O)N1CC[C@@H](OCc2cccnc2)C1 79022918 ZAQWASHMLOWACV-MRXNPFEDSA-N 314.360 2.960 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H](O)c1ccco1 74740241 KNJMEYNOPGEDDH-PWSUYJOCSA-N 322.336 2.521 0 40 DFAB CCOc1ccc(-c2nc(CNCCOC)cs2)cc1OC 89267919 IMEFZMNTADCVNB-UHFFFAOYSA-N 322.430 2.953 0 40 DFAB Cc1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c(=O)[nH]1 75118376 ZUQIHMSFEUVWID-AWEZNQCLSA-N 314.385 2.581 0 40 DFAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCC(=O)O 20732210 UPKGJPCMAUADJB-UHFFFAOYSA-N 324.789 2.976 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccnn1C)c1nc2ccccc2[nH]1 60299642 WCNYOYLLVHUNTP-AWEZNQCLSA-N 311.389 2.814 0 40 DFAB Cc1cncc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72385738 DMTAAGLSGQRTCY-LBPRGKRZSA-N 302.403 2.570 0 40 DFAB O=C(C1CC1)N1CCC[C@H](c2nc(-c3ccsc3)no2)C1 78773685 DGSFDNPEIHEKCI-NSHDSACASA-N 303.387 2.914 0 40 DFAB CCOC(=O)c1csc(CNC(=O)c2ccc(C)cc2)n1 79310387 RNVZAKPYZJHELQ-UHFFFAOYSA-N 304.371 2.558 0 40 DFAB O=C(CCc1ccsc1)NC[C@@H](O)c1c(F)cccc1F 77634335 WPHRDKHYRWHSKF-CYBMUJFWSA-N 311.353 2.809 0 40 DFAB CC1=CCC[C@H](C)[C@H]1CN1CCN([C@@H]2CCCN(C)C2)CC1 225514287 JUOPBAQLZQBKFK-OTWHNJEPSA-N 305.510 2.691 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nccc(Cl)n2)C1 40434278 IUYSDUHNGYZGMH-SNVBAGLBSA-N 313.785 2.908 0 40 DFAB COc1ccc2c(c1)c(C(=O)Nc1ccc(OC)nc1)cn2C 85878905 LSHGQMYPTLVOMY-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB biogenic CCc1noc(C2CCN(C(=O)Cc3cccs3)CC2)n1 40714675 DOJKFICPKGWCKI-UHFFFAOYSA-N 305.403 2.642 0 40 DFAB Cc1csc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)n1 190739365 BHEVNWMWLSPDPZ-CYBMUJFWSA-N 300.383 2.569 0 40 DFAB CCc1noc([C@@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)n1 46087165 DGXKTUYKFWWKGL-CYBMUJFWSA-N 315.373 2.660 0 40 DFAB COCCn1ccc(NCc2sccc2Br)n1 195564525 DEQAWKDVBVCQAX-UHFFFAOYSA-N 316.224 2.966 0 40 DFAB Cc1cccc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)n1 226747822 BVOQQCRVBFSLFS-HNNXBMFYSA-N 301.371 2.973 0 40 DFAB C[C@@H]1c2ccccc2CN1C(=O)[C@@H](C)n1nnnc1C(C)(C)C 331747206 DFZXXXKNOSIEMM-VXGBXAGGSA-N 313.405 2.635 0 40 DFAB CNC(=O)CCCC(=O)N1CCC[C@H]1c1ccc(OC)c(C)c1 195571941 UJPCVDAOMINYBP-HNNXBMFYSA-N 318.417 2.583 0 40 DFAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccs1)C2 96229785 LDOIWEMXSJWCCP-MRXNPFEDSA-N 306.431 2.755 0 40 DFAB CN(Cc1ccco1)[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96185967 ZJGUVPNBVWRHLI-KURKYZTESA-N 316.401 2.736 0 40 DFAB Cn1c(C(=O)NCc2cccnc2)cc2c1c1ccccc1n2C 96146268 QVFCCYDPDGDYTL-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB COc1ccc(C[C@H](C)N(C)Cc2nsc(N(C)C)n2)cc1 96483213 KWJWMPDEXFEZTA-LBPRGKRZSA-N 320.462 2.676 0 40 DFAB COc1c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c(C)nn1C 96446367 SFSZWGSWSRTFCV-NWDGAFQWSA-N 301.390 2.659 0 40 DFAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cnccn2)C1 257228893 FVTDXFHJXLYTBG-CYBMUJFWSA-N 314.389 2.916 0 40 DFAB Cc1cc2nc([C@H]3CCCCN3CC3CCOCC3)ccn2n1 257275654 NQHGZZVSNHQPNX-QGZVFWFLSA-N 314.433 2.991 0 40 DFAB CCn1nccc1-c1ccc(CC2CCN(C(C)=O)CC2)cn1 257296231 RBVGODCZGVXAQA-UHFFFAOYSA-N 312.417 2.766 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 257213507 CHVWCNFSCOXAEN-KRWDZBQOSA-N 311.385 2.918 0 40 DFAB Cc1coc(CC(=O)O)c1C(=O)N[C@@H]1CCc2cc(F)ccc21 263447037 REJJZFIZCKTVJT-CYBMUJFWSA-N 317.316 2.772 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(N)c2)c1 261788832 SWBJZMWWRCAPNG-LBPRGKRZSA-N 314.385 2.706 0 40 DFAB O=C(c1cc(Br)cs1)N1C[C@H]2C[C@H]1CS2 575605436 FMEXPNAQJCSYJJ-JGVFFNPUSA-N 304.234 2.841 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)o2)CC(C)(C)O1 44479057 ADXIDBUIMOJRGN-QMMMGPOBSA-N 302.168 2.682 0 40 DFAB CO[C@](C)(C(=O)Nc1nc(C(C)=O)cs1)c1ccccc1 69669328 VGWIGPCXRMWBRT-HNNXBMFYSA-N 304.371 2.846 0 40 DFAB Cc1noc(C)c1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 97165464 DDGIOTREUDEQDY-UHFFFAOYSA-N 303.293 2.568 0 40 DFAB C[C@H](N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CN(C)CCO1 90575798 JFWUHCKGDDDQLR-WCQGTBRESA-N 300.855 2.698 0 40 DFAB O=C(NCCCc1ccccc1)C(=O)Nc1cccc(F)c1 5184139 UQHPPHKQXJVNQV-UHFFFAOYSA-N 300.333 2.513 0 40 DFAB CCOc1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1 13079829 ULWQOGCMGAJSLF-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB C[C@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCC1 13710078 VYEICPVSVPZZEK-ZDUSSCGKSA-N 310.825 2.709 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1C 13972064 JVDZEGSPAXDFEG-UHFFFAOYSA-N 313.353 2.956 0 40 DFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NS(C)(=O)=O 14222629 IIHDTECXTCAABC-UHFFFAOYSA-N 313.810 2.573 0 40 DFAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccn1 17055185 BQMWAPVGRQMYNB-INIZCTEOSA-N 320.352 2.893 0 40 DFAB O=C(NCC1(c2ccsc2)CC1)c1cccc2c1OCCO2 1889128335 BMEUZLULZJPDMW-UHFFFAOYSA-N 315.394 2.981 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC(Cn2cc(Cl)cn2)C1 1848806940 NOZKXXGCDATHNC-UHFFFAOYSA-N 324.211 2.891 0 40 DFAB CC(=O)N1CCC(=O)N(C(=O)c2ccccc2)c2ccccc21 84314 NVSOBVYSQKWGBB-UHFFFAOYSA-N 308.337 2.617 0 40 DFAB COCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2 2055713360 DUYYKJUVVVPURW-UHFFFAOYSA-N 307.344 2.714 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@H]1COC2(CCCCC2)O1 38936599 KZSHTXTTXJDFHL-SCOAYWHSSA-N 301.386 2.892 0 40 DFAB Cn1cc([C@@H]2CN(C(=O)c3ccco3)Cc3ccccc32)cn1 575619443 MCYMBOSHLRQGHA-INIZCTEOSA-N 307.353 2.801 0 40 DFAB Cc1ccccc1OCC(=O)NC[C@@](C)(O)Cc1ccsc1 618257494 XTTSFTOIXHITKG-KRWDZBQOSA-N 319.426 2.545 0 40 DFAB CSc1ccc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc1 20086482 HFFWZDKLCSOWJC-CYBMUJFWSA-N 313.382 2.808 0 40 DFAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1F 11496907 OHDIJXHMGPIJSA-UHFFFAOYSA-N 321.377 2.760 0 40 DFAB Cc1ccc(NC(=O)NC[C@H](O)COc2ccccc2)c(C)c1 40525355 OBECDSKFCNGXPP-HNNXBMFYSA-N 314.385 2.865 0 40 DFAB COc1cccc(OC)c1C(=O)OCC(=O)N(C(C)C)C(C)C 3332325 HXDADWICQIINMT-UHFFFAOYSA-N 323.389 2.506 0 40 DFAB COc1ccccc1CN1CCC(C(=O)NC(C)(C)C)CC1 299521 NZOGVAJCEVMQQT-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2C)c2ccccc21 4993107 ZPRYZBAIXRZUFX-GOSISDBHSA-N 324.380 2.598 0 40 DFAB CC(C)(NC(=O)C1[C@@H]2CCC[C@@H]12)c1cn(-c2ccccc2)nn1 101577630 FGEHOCSVNHHPID-ZIAGYGMSSA-N 310.401 2.665 0 40 DFAB COc1ccccc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 8718846 GYMWAPRVQRLRRQ-UHFFFAOYSA-N 319.382 2.659 0 40 DFAB COc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCOC1 60129439 KRTDPOQQCBJDTG-SECBINFHSA-N 314.179 2.741 0 40 DFAB COc1ccc(NC(=O)NC(=O)COc2ccccc2F)cc1 32942931 DPMCRUQWXNCRJG-UHFFFAOYSA-N 318.304 2.561 0 40 DFAB COC(=O)c1ccc(CNC(=O)CCNc2ccccc2)cc1 29961626 NBFDLTXXOGZQNG-UHFFFAOYSA-N 312.369 2.592 0 40 DFAB CC(=O)c1ccc(OCc2nc3ccsc3c(=O)[nH]2)cc1 8134315 DQTXANSOXIBPMD-UHFFFAOYSA-N 300.339 2.766 0 40 DFAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CN 22926888 HZFUXRTWVSMXTC-XHSDSOJGSA-N 302.466 2.604 0 40 DFAB biogenic,in-vitro O=C(NCCSc1ccccc1)[C@@H]1COc2ccccc2O1 20239188 YRAUKMAGVKNEPC-INIZCTEOSA-N 315.394 2.735 0 40 DFAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)c1sc(C)nc1C 100189542 ZGYBDKNUOXJFJC-BXUZGUMPSA-N 314.414 2.760 0 40 DFAB Cc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)c(C)o1 28225604 YBOLFURQZIOLRA-UHFFFAOYSA-N 307.375 2.615 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCn1ccnc1 43311031 UOCDLEGWEFOUOQ-AWEZNQCLSA-N 316.405 2.797 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccccn1 55520524 LRYFPBDYKXBSNQ-HNNXBMFYSA-N 310.353 2.717 0 40 DFAB O=C(CC1=CCCCC1)N1CCC(Nc2cccnn2)CC1 106773911 WFLUSBQFXQNJJT-UHFFFAOYSA-N 300.406 2.770 0 40 DFAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccccc1Br 37503716 PUDLSXAQXLINRP-ZIAGYGMSSA-N 323.234 2.806 0 40 DFAB Cn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(F)ccc21 22236400 ZOSVXLAQDANZLM-UHFFFAOYSA-N 302.349 2.694 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccnc1 108485740 QOMQLZIIURBUQG-YRGRVCCFSA-N 303.362 2.547 0 40 DFAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@@H]1CCCO1 44896560 RAQRXPPCWATSNX-LBPRGKRZSA-N 318.348 2.709 0 40 DFAB COCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 44896612 HJAWXMIULGWIKL-UHFFFAOYSA-N 307.781 2.600 0 40 DFAB C[C@@H](C(N)=O)N(C)Cc1ccc(OCc2cccs2)cc1 58209612 QTTINFAAHBLDIG-LBPRGKRZSA-N 304.415 2.633 0 40 DFAB CCOc1cccc([C@H](C)NC(=O)c2snnc2CC)c1 58265746 ZTPMGRMQOOATJJ-JTQLQIEISA-N 305.403 2.990 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2cccc2)c1 58264172 BAMRSEASEZOOOJ-ZDUSSCGKSA-N 323.352 2.827 0 40 DFAB CCOc1ccc(C(=O)NC[C@H]2CCCN(C(C)C)C2)cc1 58281869 MYXDZKAFBPGUFN-OAHLLOKOSA-N 304.434 2.936 0 40 DFAB Cc1noc(CCCC(=O)NCC(C)(C)c2ccccc2F)n1 58331721 OBBPFHKOFSITLX-UHFFFAOYSA-N 319.380 2.934 0 40 DFAB Cc1cccc2cc(C(=O)NCCCCN3CCOCC3)oc12 58407264 SWVCHMSHIFCKNH-UHFFFAOYSA-N 316.401 2.583 0 40 DFAB CC1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 3298502 KMIGEGZIGFFRRK-UHFFFAOYSA-N 303.431 2.705 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1c(O)c2c([nH]c1=O)CCCC2 16945249 POWDTBYYLOGHLP-UHFFFAOYSA-N 318.760 2.865 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)CCOc2ccc(C)cc2)C1 48262958 UQODQLNCJAPXMH-HNNXBMFYSA-N 319.401 2.566 0 40 DFAB C[C@H](NCc1cnn(Cc2ccccc2)c1)[C@H](C)n1cccn1 69368836 FODSQBLVJPQROP-HOTGVXAUSA-N 309.417 2.867 0 40 DFAB Cc1ccc(F)cc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1 12814072 LGYUYYWEIVTUTL-OAHLLOKOSA-N 315.348 2.872 0 40 DFAB CCOC(=O)NCCC(=O)N1CCc2sccc2[C@@H]1CC 48734275 YSEOKKZBIFOAFR-LBPRGKRZSA-N 310.419 2.720 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c1 13003673 RXBSEEKWZGMOOD-UHFFFAOYSA-N 322.361 2.758 0 40 DFAB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1c(C)nn(CC)c1C 69491812 JEEMYDXPLXRQFC-HZPDHXFCSA-N 318.465 2.609 0 40 DFAB Nc1nn(C(=O)C[C@H]2CCCO2)cc1-c1cccc(Cl)c1 69434937 XGTVZNLTHBJORZ-GFCCVEGCSA-N 305.765 2.995 0 40 DFAB CC(C)(C)C(=O)Cn1cnc2ccc(Br)cc2c1=O 5083628 QLJJTVLVMVFGSF-UHFFFAOYSA-N 323.190 2.774 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)no1 4385244 PZYBNQQXDKPVSW-SNVBAGLBSA-N 319.748 2.628 0 40 DFAB CCOCCc1nnc(NC(=O)CCc2ccccc2)s1 4384603 VCBTXCZJQDDINY-UHFFFAOYSA-N 305.403 2.688 0 40 DFAB Cc1oc(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1Br 65473085 UOMMZDMLIDYHRP-HTQZYQBOSA-N 316.195 2.908 0 40 DFAB CC(C)C(=O)NCCc1ccc(I)s1 65624594 OYPRDNLLQSWYKW-UHFFFAOYSA-N 323.199 2.667 0 40 DFAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccccn3)ccc12 6661138 PASRZSJFKMTGEX-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)CCC2 15366410 YQHUOLRJKGRVFV-LBPRGKRZSA-N 324.380 2.680 0 40 DFAB CCOc1ccccc1/C=C/C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15598547 SGWKBBCXVXKXRC-JXMROGBWSA-N 323.352 2.907 0 40 DFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2F)c1 7709539 KWBCIYGTTYZXOI-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB Cc1cc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)no1 71921053 SCYGBSSJOKGJMF-UHFFFAOYSA-N 304.256 2.904 0 40 DFAB Cc1cc(N)nc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 71916373 XOFMREYLRBTEEW-NSHDSACASA-N 324.450 2.716 0 40 DFAB Cc1sc2nc(NC[C@@H]3CCCO3)n3ncnc3c2c1C 9304179 HDDCVJCEMZOFNB-JTQLQIEISA-N 303.391 2.547 0 40 DFAB O=C(CNC(=O)c1cc2ccccc2s1)NCc1ccco1 9449860 ZQIFRXLGKBNOHF-UHFFFAOYSA-N 314.366 2.541 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)c1cnn(-c2ccccc2)n1 9458107 ALEAFABOEABJGG-UHFFFAOYSA-N 318.258 2.937 0 40 DFAB COC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 71853637 GMOYVBRAYHLTRX-NSHDSACASA-N 305.277 2.609 0 40 DFAB CCc1nc([C@@H]2CCCN2CCC(=O)NC2CCCCC2)no1 72271012 SSXHWKHIZRWSKM-AWEZNQCLSA-N 320.437 2.608 0 40 DFAB CCC(C)(C)NC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 72273075 KAVHMRFCUWPLHM-UHFFFAOYSA-N 315.377 2.972 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@H](C)c3cccs3)C2)no1 72291362 SOKFLTBYDBIYRD-PWSUYJOCSA-N 305.403 2.949 0 40 DFAB O=C1CCN(C(=O)COc2ccc(F)cc2)c2ccccc2N1 72288071 CCMADGBLCACEON-UHFFFAOYSA-N 314.316 2.580 0 40 DFAB CN(C(=O)C[C@](C)(O)c1ccccc1)c1ccc2c(c1)CCO2 97059876 QYLCFTNWULGIJU-IBGZPJMESA-N 311.381 2.882 0 40 DFAB CO[C@@H](C)C(=O)Nc1ccc(Br)cc1C(C)=O 97107065 ZVJIBMAUXVJIPF-QMMMGPOBSA-N 300.152 2.625 0 40 DFAB Cc1cc2cc[nH]c2cc1NC(=O)NC1(CCO)CCOCC1 97166046 MAIQDKSGRYQIQX-UHFFFAOYSA-N 317.389 2.529 0 40 DFAB C[C@H]1OCC[C@@H]1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165972 LTRFMZZPMXFZLI-WBVHZDCISA-N 316.445 2.582 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@](C)(O)c2ccc(C)o2)c1 97378567 JFWLSDQLXCVDLU-MRXNPFEDSA-N 303.362 2.629 0 40 DFAB CCS(=O)(=O)c1ccccc1Oc1ccc(NC(N)=O)cc1 72565135 MWZNWEBOVLSZGW-UHFFFAOYSA-N 320.370 2.763 0 40 DFAB CC[C@H](CCNC(=O)c1ccc(F)c(C)c1)N1CCCC1=O 95350139 VVYWQWLZZMQUSF-CQSZACIVSA-N 306.381 2.655 0 40 DFAB O=C(CSc1ccc(O)cc1)N1CCC(n2cccn2)CC1 95438426 ZZJBWZOOJRRIJH-UHFFFAOYSA-N 317.414 2.545 0 40 DFAB O=C(CC1=CCCCC1)Nc1ccc(CN2CCOCC2)cn1 95443718 CGGLSRCJDCSPND-UHFFFAOYSA-N 315.417 2.743 0 40 DFAB CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 95427146 FESOYRATLQSURL-JKSUJKDBSA-N 323.481 2.604 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2cccnc12 78897989 KVZPDRMHNVACNE-KDOFPFPSSA-N 323.440 2.971 0 40 DFAB O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)C1=CCCCO1 74029464 WFFHLFOPKAIBOT-UHFFFAOYSA-N 323.352 2.967 0 40 DFAB CCOc1ccc(CN2C(=O)[C@H]3CCCCN3C2=O)cc1C 95992556 OFBWQPKOIZBTAU-CQSZACIVSA-N 302.374 2.710 0 40 DFAB COc1cccc(CN(c2ccccc2F)S(C)(=O)=O)c1 95993923 SFCHQZVDNGJNOY-UHFFFAOYSA-N 309.362 2.801 0 40 DFAB Cc1ccc(NCc2noc(C3CC3)n2)c(C(=O)N(C)C)c1 86208429 JYGHMKVEIXGJHX-UHFFFAOYSA-N 300.362 2.569 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCC2(C)C)sc2ncn(C)c(=O)c12 75105490 YHBVACHDHIKMIE-JTQLQIEISA-N 319.430 2.612 0 40 DFAB CC(C)CCC(=O)NC(=S)Nc1ccc(CC(=O)O)cc1 20151340 WNPSDVWBAPGEFQ-UHFFFAOYSA-N 308.403 2.563 0 40 DFAB COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1OC 33860067 KVKWOYPLRAXQNZ-UHFFFAOYSA-N 322.405 2.844 0 40 DFAB CC1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1 36397684 IYCHBRHGILTHAK-UHFFFAOYSA-N 314.389 2.759 0 40 DFAB Cc1ccccc1CN1CCN(Cc2nnsc2Cl)CC1 39990590 JYQQPDQNJQWHDB-UHFFFAOYSA-N 322.865 2.818 0 40 DFAB COc1cc(CNCc2nc(C)cs2)cc2c1OCCO2 30636149 ACRCWABMHSCAML-UHFFFAOYSA-N 306.387 2.521 0 40 DFAB COC(=O)[C@@]1(C(=O)O)C[C@H]1c1c(OC)ccc2ccccc12 217454389 SSMXSCDRERMABQ-SJCJKPOMSA-N 300.310 2.580 0 40 DFAB CC(C)C(=O)N1CC[C@H](c2c(C(N)=O)sc3ccccc23)C1 72352182 HUWFGVHIXBLCLQ-NSHDSACASA-N 316.426 2.972 0 40 DFAB COc1cc(C)c(NC(=O)c2ccnc(N(C)C)c2)cc1OC 32913066 HNKPSWPXWAVXKD-UHFFFAOYSA-N 315.373 2.726 0 40 DFAB CN1C(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2C1=O 40130145 HLEDUPREOGTHMK-UHFFFAOYSA-N 322.364 2.874 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCCCC2)cc1C 224707374 WKWUJYOWDMCCHH-UHFFFAOYSA-N 304.434 2.538 0 40 DFAB C[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)O 225461731 ZFNONSHNAVVEPH-RKDXNWHRSA-N 303.280 2.788 0 40 DFAB Cc1cccc(C)c1[C@@H](C)NC(=O)N(CCO)CC(F)F 225417054 IFQFIDHYELOBQT-GFCCVEGCSA-N 300.349 2.633 0 40 DFAB C[C@@]1(C(=O)NCc2ccco2)CC(c2ccc(F)cc2)=NO1 226749180 YZKNMDWGZBMMOX-INIZCTEOSA-N 302.305 2.618 0 40 DFAB Cn1c(CNc2ccc(NC(=O)C3CC3)nc2)nc2ccccc21 96483185 DYNKULFDQUTQEP-UHFFFAOYSA-N 321.384 2.929 0 40 DFAB COc1cccc(Cl)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 95447875 RWSXDHHXXKYYII-CZUORRHYSA-N 317.772 2.737 0 40 DFAB Cc1occc1CNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 96436203 DNYXESCFZDMUQO-OCCSQVGLSA-N 322.405 2.898 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN2CCC(N3CCCNC3=O)CC2)o1 93669235 SVBONNCEBBGNIS-CJNGLKHVSA-N 317.433 2.783 0 40 DFAB CCOCCCC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 96411470 ZTQNFNLZBJFRSQ-ZDUSSCGKSA-N 320.216 2.960 0 40 DFAB COc1c(F)cc(NC(=O)N[C@@H]2CCCSC2)cc1F 96452188 SDIUGMFABGHGFV-MRVPVSSYSA-N 302.346 2.991 0 40 DFAB Cc1sc2ncnc(N[C@H]3COC4(CCNCC4)C3)c2c1C 95386939 XELATEPMMJSTSE-GFCCVEGCSA-N 318.446 2.631 0 40 DFAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1 95413957 MGDGKKBXKXYWBU-CYBMUJFWSA-N 315.417 2.733 0 40 DFAB C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1COc2ccccc21 90845156 ZDPPWDPMVITCGE-OUCADQQQSA-N 314.351 2.777 0 40 DFAB CCCOc1ccc(CCC(=O)N2CCc3[nH]ncc3C2)cc1 96430559 DQWBCWAGZVWKNE-UHFFFAOYSA-N 313.401 2.716 0 40 DFAB C[C@@H]1OCCN(C(=O)NCCCCOc2ccccc2)[C@@H]1C 96476970 ZERZDJIIPXSZFL-CABCVRRESA-N 306.406 2.664 0 40 DFAB CN(C(=O)Cc1ccsc1)[C@H]1CCCN(c2ccccn2)C1 257324740 WPYRHIVNHOXUNB-HNNXBMFYSA-N 315.442 2.813 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1F 252509831 YWLQYKGBXJXSJV-UHFFFAOYSA-N 315.345 2.599 0 40 DFAB CCCCN1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103364 BJTYGAJCCIDLTP-GOSISDBHSA-N 320.408 2.681 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(F)c(F)c2)on1 44438833 QSJNKEMRNRHVLX-JTQLQIEISA-N 309.316 2.720 0 40 DFAB CN(C)C(C)(C)CNC(=O)N[C@@H]1CCCOc2ccc(F)cc21 95369424 OLSQGVNZTHCIRM-CQSZACIVSA-N 323.412 2.679 0 40 DFAB CCO[C@@H]1C[C@H](N(C)c2cc(C)nc3ncnn23)C1(CC)CC 75106996 VGFHKJBKXBRTSF-UONOGXRCSA-N 317.437 2.853 0 40 DFAB CCOc1ccc(NCc2ccc(Cl)nc2)c(C(N)=O)c1 89991052 HTDILGLJFKNIJL-UHFFFAOYSA-N 305.765 2.845 0 40 DFAB O=C(N[C@H]1C=Nc2ccccc2NC1=O)c1ccc(Cl)cc1 5664435 MYHMXKFVFXEFLL-AWEZNQCLSA-N 313.744 2.793 0 40 DFAB O=C(O)c1nc(Cl)c(Cl)c(N2CCOCC2)c1Cl 5754525 WQLAFPLBIGUFGQ-UHFFFAOYSA-N 311.552 2.577 0 40 DFAB CC(C)n1nccc1C(=O)N1CCC[C@H](c2nccs2)C1 162527580 HQURZALEXRJDBT-LBPRGKRZSA-N 304.419 2.940 0 40 DFAB NC(=O)N[C@@H](CC(=O)N1CCCCCC1)c1ccccc1Cl 22404786 RVINVGHKXMZQMK-AWEZNQCLSA-N 323.824 2.842 0 40 DFAB CN1CCN(C(=O)N2CCS[C@H](c3ccccc3)CC2)CC1 208043261 RVDLTLBMOKLQNN-INIZCTEOSA-N 319.474 2.534 0 40 DFAB COC[C@](C)(CNC(=O)Cc1cccc2ccccc12)OC 575611898 HSTGCBWLOAEQMY-SFHVURJKSA-N 301.386 2.550 0 40 DFAB O=C(c1cccc2ccccc12)N1CC(Nc2ccncn2)C1 618255566 FNAYIBSFDQSBBQ-UHFFFAOYSA-N 304.353 2.566 0 40 DFAB O=C(NCc1ccc(F)cc1)NC[C@@](O)(c1ccco1)C1CC1 75154995 KLCZGEBEYHCNJA-KRWDZBQOSA-N 318.348 2.516 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@@H]1CCc2nccn2C1 97197618 ZJPHFCNNNLOINR-SNVBAGLBSA-N 309.822 2.662 0 40 DFAB COc1ccc2[nH]c(C)c(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c2c1 20188802 VMLGUIRJVNAVEN-RYUDHWBXSA-N 316.401 2.777 0 40 DFAB CN1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1 30997339 MHMFEPYZUALXDP-GOSISDBHSA-N 312.388 2.884 0 40 DFAB C[C@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)C[C@H](C)O1 50535431 CUPMRZICRPADKZ-RYUDHWBXSA-N 319.792 2.775 0 40 DFAB CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C 76109 DGVGFBPJLOYUPP-UHFFFAOYSA-N 322.364 2.910 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]ncc2c1 166215 BLOHZNCUOZZHSW-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Cc1ccc2c(COC(=O)[C@H]3CCCO3)cc(=O)oc2c1C 28856018 VZWSKVGKZHQHIL-CQSZACIVSA-N 302.326 2.632 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 40566513 VVTAJUCNHDSAJU-ZDUSSCGKSA-N 322.336 2.827 0 40 DFAB O=C(Nc1nccs1)c1cccc(NC(=O)C(F)(F)F)c1 852574 ZTMOWDFSDXDVCD-UHFFFAOYSA-N 315.276 2.896 0 40 DFAB O=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1 1053958 PQXSZIBWQDBEPD-UHFFFAOYSA-N 302.384 2.843 0 40 DFAB Cc1cc(C)n(C[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1 100944077 UCCNIBZEJKMNEE-LBPRGKRZSA-N 317.776 2.733 0 40 DFAB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1occc1C 69519479 ZIIBJKAHOHTEME-ZDUSSCGKSA-N 323.295 2.853 0 40 DFAB O=C1[C@H]2CCCN2C(=O)c2ccccc2N1Cc1ccc(F)cc1 1347605 ONCIICZUZCMSMD-QGZVFWFLSA-N 324.355 2.977 0 40 DFAB Cc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CCC4)cc1 257982 BXNOCIGBMOCKCH-UHFFFAOYSA-N 312.398 2.530 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1nnc2n1CCCCC2 29252955 UBESYIWAYXHBDJ-SNVBAGLBSA-N 320.343 2.774 0 40 DFAB Nc1cc(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 4894052 RDNKGKRKNCZPLK-UHFFFAOYSA-N 318.446 2.519 0 40 DFAB CCCc1n[nH]c(=S)n1NCc1cccc(OC)c1OC 7601351 KPXRLBCPAZHGDF-UHFFFAOYSA-N 308.407 2.654 0 40 DFAB Brc1ccc(OCCSC2=NCCCN2)cc1 7751472 ALGDKXCKVARACF-UHFFFAOYSA-N 315.236 2.910 0 40 DFAB COC(=O)CCC[S@@](=O)c1ccc(Br)cc1 40958351 DENQGBKLNKIPCP-INIZCTEOSA-N 305.193 2.510 0 40 DFAB in-vitro CCOc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 380895 LLKMPSBGDYSRCI-OAHLLOKOSA-N 313.353 2.655 0 40 DFAB COc1ccccc1CNC(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C 58029620 RKRLWYMIWLAGTB-RDJZCZTQSA-N 321.417 2.532 0 40 DFAB Cc1nnc(SCC(=O)NCC(C)C)n1C1CCCCC1 12045370 GJZCZVISBPMUBH-UHFFFAOYSA-N 310.467 2.956 0 40 DFAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)cc1 22794692 XIXFRAXLTRBXSY-IBGZPJMESA-N 323.440 2.922 0 40 DFAB C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc12)C(=O)N(C)C 69625209 AAOHAQOTOCYIQK-GFCCVEGCSA-N 321.384 2.580 0 40 DFAB CCc1ccc(CN(C)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 23624570 AUVMHQYEZKXAED-MRXNPFEDSA-N 317.433 2.605 0 40 DFAB C[C@@H](NC(=O)CN1CCOCC1)c1ccc(Cl)cc1Cl 23750192 ZSBLMCARWOALIY-SNVBAGLBSA-N 317.216 2.503 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(C)C3CC3)C2)c1 68103728 OIUGJOMSUDSZCR-CQSZACIVSA-N 315.417 2.860 0 40 DFAB C[C@H]1NC(=S)N(c2ccccc2COc2ccccc2)C1=O 55180311 JAUMXZPQJVFUFJ-GFCCVEGCSA-N 312.394 2.875 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2O 118917908 QHSZSKZLCCRGLJ-KPOJYRSCSA-N 306.446 2.930 0 40 DFAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCCc1ccccn1 25427705 DLQFUDHBUZSDCT-FMIVXFBMSA-N 322.817 2.868 0 40 DFAB COCCNC(=O)c1c(-n2cccc2)sc2c1CCCC2 25704827 RLRMBUFGUUFXGO-UHFFFAOYSA-N 304.415 2.794 0 40 DFAB Cc1cc(OCc2ccc(C(=O)NCCO)o2)ccc1Cl 28230058 NXBDEAPZMIMRNH-UHFFFAOYSA-N 309.749 2.543 0 40 DFAB C[C@H]1C[C@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)O1 69706437 DMNXRTQQYSFQNK-VFZGTOFNSA-N 304.777 2.883 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)OCC(F)(F)F 58014254 SKCPXXPUPURCJR-UHFFFAOYSA-N 306.240 2.764 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)[C@@H](C)OCC2CC2)o1 68378578 SGURWHPGOMAMFQ-SNVBAGLBSA-N 301.346 2.799 0 40 DFAB Cc1ccsc1-c1cc(NC(=O)c2cnn3cccnc23)[nH]n1 58265685 CXUOOIMAYVIDRO-UHFFFAOYSA-N 324.369 2.742 0 40 DFAB COCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 58245144 ILZMDYPKEMRKCI-UHFFFAOYSA-N 317.458 2.574 0 40 DFAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2)c1 3234602 TUGFWDKRSUFADE-ZHACJKMWSA-N 311.337 2.890 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N3C[C@@H](C)S[C@H](C)C3)ccc21 80959557 CCTTXNDRUYXXRL-VXGBXAGGSA-N 318.442 2.562 0 40 DFAB CCNC(=O)CN(CC)C(=O)Cc1ccc(Cl)cc1Cl 48311282 NEPWFQPQBWBEBF-UHFFFAOYSA-N 317.216 2.521 0 40 DFAB COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\O 13116432 LSTLIORCEMTQDG-ZPHPHTNESA-N 310.309 2.984 0 40 DFAB O=C(O)C[C@@H](NC(=O)Cc1ccccc1F)c1cccs1 13389350 KQNFEPWCEWFJLT-GFCCVEGCSA-N 307.346 2.762 0 40 DFAB C[C@@H](CNc1ccccc1)NC(=O)c1ccc2nccnc2c1 92124641 CGRHZDFKEQZFBN-ZDUSSCGKSA-N 306.369 2.860 0 40 DFAB CSc1ncccc1C(=O)NC[C@@H](c1ccccc1)N(C)C 16599423 DGNJPUPRRPTCCW-HNNXBMFYSA-N 315.442 2.836 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(OC)cc2)c1C 6061925 LGFSNXIWZJHXPY-UHFFFAOYSA-N 317.341 2.688 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N4CCC[C@H](O)C4)c23)C1 8149463 CGLSNEYUXDNFMJ-QWRGUYRKSA-N 303.431 2.777 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(F)c(F)c(F)c2)c1 70038499 WLUQNNQXGGXSPU-LBPRGKRZSA-N 323.318 2.914 0 40 DFAB O=C1O[C@@H](C(=O)Nc2nccs2)Cc2cc(Cl)ccc21 5205948 DOVGEAIJWDPNJJ-SNVBAGLBSA-N 308.746 2.517 0 40 DFAB O=C(CSc1nnc(-c2ccncc2)o1)N1CCCCCC1 4475498 XNCWGISKEPDGKJ-UHFFFAOYSA-N 318.402 2.626 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H]3CCc4nc(C)cn4C3)coc2c1 65458079 QEDKRBJEEYKXQF-OAHLLOKOSA-N 323.396 2.920 0 40 DFAB Cc1nn(S(=O)(=O)c2cc(F)ccc2F)c(C)c1Cl 17031428 SSNAAMXJGFLWCZ-UHFFFAOYSA-N 306.721 2.669 0 40 DFAB O=C([C@H]1CCCO1)N(CCc1ccccc1)Cc1ccncc1 6670834 NVXUHGCDGDZBTE-GOSISDBHSA-N 310.397 2.832 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccc2c(c1)OCCCO2 6610558 GGEADEGHEYJICI-UHFFFAOYSA-N 302.330 2.959 0 40 DFAB CC(=O)NC1CCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 66355501 IHMJFEKSOUEAHI-DZGCQCFKSA-N 308.466 2.966 0 40 DFAB CC(=O)NCCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 69437363 LJHYFGCXDXRIQB-SECBINFHSA-N 317.216 2.739 0 40 DFAB FC(F)C(F)(F)CN1CCN(CCc2ccccc2)CC1 71907448 GYCJYHNUNLLNCJ-UHFFFAOYSA-N 304.331 2.747 0 40 DFAB O=C(NCc1nncn1C1CC1)C1(Cc2ccccc2)CCC1 89830263 WMGPDUHEQZNUDC-UHFFFAOYSA-N 310.401 2.642 0 40 DFAB CCc1nc([C@H]2CCCN2CC[S@@](=O)c2ccccc2)no1 75583927 QGMSWLPUTDADMY-PEBXRYMYSA-N 319.430 2.577 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccnc1 71893071 LTOVEYYOOJRMKT-QAPCUYQASA-N 309.413 2.923 0 40 DFAB CN(C)c1cc(CNc2ncnc3[nH]ncc23)c2ccccc2n1 76083639 RCGIAGHWLQZXEM-UHFFFAOYSA-N 319.372 2.579 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NCc2cccnc2)C1 72291827 BMKCBXWQMLSVHH-SJLPKXTDSA-N 323.440 2.884 0 40 DFAB COCCN(Cc1ccco1)C(=O)N[C@@H](C)c1csc(C)n1 72271598 KBCRTKFOUXODCT-NSHDSACASA-N 323.418 2.964 0 40 DFAB O=C(Cc1cccs1)N1CCC[C@@H]1c1noc(C2CC2)n1 84442204 FNUMUUFLRFGYHW-GFCCVEGCSA-N 303.387 2.915 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(C)CC2)C12CCCCC2 78829590 QMMHDSZQZOTIBY-HZPDHXFCSA-N 323.481 2.508 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)CCc2c(C)noc2Cl)no1 78890114 WOKGDRPINRQKMV-NSHDSACASA-N 324.768 2.624 0 40 DFAB O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCCCCCC1 72648894 MUGPBWUJYRDTQB-AWEZNQCLSA-N 304.390 2.677 0 40 DFAB COc1cccc(F)c1C(=O)NC[C@@H](C)Cn1nc(C)cc1C 78903155 HZKARRSHPYSUOF-LLVKDONJSA-N 319.380 2.714 0 40 DFAB Cc1cc(C(N)=O)ccc1NC(=O)C[C@@H]1OCCc2ccccc21 95397447 JVUWTCCXYFSHLK-KRWDZBQOSA-N 324.380 2.737 0 40 DFAB Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1c(C)noc1C 95405651 ANKNRSFXYIGWBI-DOMZBBRYSA-N 304.390 2.690 0 40 DFAB COc1ccc(C(=O)N(Cc2nnc(C)o2)C(C)(C)C)cc1 95449746 OGESMHKFPOJXPO-UHFFFAOYSA-N 303.362 2.828 0 40 DFAB O=C1NC(C2CC2)(C2CC2)C(=O)N1CCc1ccccc1Cl 95963378 KXTWQKXYIBJAFB-UHFFFAOYSA-N 318.804 2.993 0 40 DFAB CCc1ccc(CNC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 408707570 ONIVZQLNCFHKNL-HNNXBMFYSA-N 324.424 2.785 0 40 DFAB Cc1nc2ccc(NC(=S)N=c3cc[nH]cc3)cc2nc1C 408735722 VRGBSPASMINACL-UHFFFAOYSA-N 309.398 2.872 0 40 DFAB COc1c(S(=O)(=O)NCC(C)C)ccc(Cl)c1Cl 72414533 CIKWUMQAHBDPOZ-UHFFFAOYSA-N 312.218 2.936 0 40 DFAB O=C1O[C@@H]2C[C@H]1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 75162345 IXDDHKVAJVVUED-ZIAGYGMSSA-N 319.788 2.678 0 40 DFAB Cc1ccnc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)c1 226747743 LOSNASGYFVKWOM-HNNXBMFYSA-N 301.371 2.973 0 40 DFAB CCCCC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386282 WWAYMPSXXRIUAX-OAHLLOKOSA-N 314.385 2.745 0 40 DFAB CCn1nncc1CNC(=O)Nc1ccc2sc(C)nc2c1 529052045 CYJDEWPUEJOBTE-UHFFFAOYSA-N 316.390 2.538 0 40 DFAB S=C(NCc1ccco1)Nc1ncc(Cl)nc1Cl 223901701 YUOGSHMGSYAMNJ-UHFFFAOYSA-N 303.174 2.863 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)nn1 225428291 FDKWWAHUVHDZPJ-CQSZACIVSA-N 315.348 2.526 0 40 DFAB COc1cc(OC)cc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)c1 44921642 HCOPJFIFEUKFOV-CQSZACIVSA-N 319.386 2.510 0 40 DFAB CC[C@H]1C[C@H](NC(=O)N2CCOc3ccc(C)cc3C2)CCO1 570506301 XMYMQOHUQBRIIB-CVEARBPZSA-N 318.417 2.857 0 40 DFAB O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)C=C(c1ccccc1)O2 226761828 MXWMDUGNYYVRRZ-AWEZNQCLSA-N 318.332 2.629 0 40 DFAB COc1cccc(OCCNC(=O)COc2ccccc2C)c1 46644484 DQOUUFIDCDUGDB-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB C[C@@]1(CNC(=O)c2c(F)cc(F)cc2F)CCCC[C@@H]1O 96450837 HNKDVRVQSQFUQM-WFASDCNBSA-N 301.308 2.775 0 40 DFAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3ccc(F)cc3)C2)n1 96057624 TWXYQCLCDMFJEB-NUEKZKHPSA-N 317.364 2.664 0 40 DFAB CCNc1nc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cs1 96495439 UPWLMQCHQHYYAC-NOZJJQNGSA-N 323.393 2.566 0 40 DFAB COC[C@@H]1CN(Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 96060450 NNQSQTRDWGYRLM-HNNXBMFYSA-N 315.417 2.940 0 40 DFAB CC(C)Oc1ccccc1C[S@](=O)CC(=O)NC1CCCC1 96404434 LJZSMPNEXBZMPX-JOCHJYFZSA-N 323.458 2.781 0 40 DFAB CC[C@H](C)CN(CC)C(=O)c1cnc2sc(C)c(C)n2c1=O 96492950 JDOKKFDDQONBQG-JTQLQIEISA-N 321.446 2.881 0 40 DFAB CN(CCC1CCN(c2ccncc2)CC1)Cc1nccn1C 92820906 ZPPALQCWHKMSLA-UHFFFAOYSA-N 313.449 2.554 0 40 DFAB Cc1noc([C@@H](C)N(C)Cc2cc(C(=O)O)ccc2Cl)n1 580095350 QNCODSXMQGOGRO-MRVPVSSYSA-N 309.753 2.923 0 40 DFAB O=C(c1ccoc1)N1CCc2ncnc(-c3ccccc3)c2CC1 96255359 VFGAWPBQBQCHOS-UHFFFAOYSA-N 319.364 2.978 0 40 DFAB COc1ncccc1CN1CC2(C[C@H](OCC3CC3)CS2)C1 247832697 HXPFMQVNGJKDBB-HNNXBMFYSA-N 320.458 2.577 0 40 DFAB Cc1cc(C(=O)N2Cc3nccn3C[C@H]2c2ccccc2)no1 257207499 BIAGXMRKCBDHHM-HNNXBMFYSA-N 308.341 2.577 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccc(C)cc1 257200585 ADXZIHOVFLDKBC-AEFFLSMTSA-N 314.429 2.821 0 40 DFAB Cc1cc2cc(C(=O)N3CCO[C@H](c4cnccn4)C3)ccc2o1 257327262 XARWBAKFNDZVIL-KRWDZBQOSA-N 323.352 2.745 0 40 DFAB C[C@H]1CCCN(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)C1 260380285 QMNLVBXMRQIHAX-MAUKXSAKSA-N 316.445 2.827 0 40 DFAB COCC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2cccn2C1 585095035 ATMMXBNXCOHFKC-HNNXBMFYSA-N 313.401 2.500 0 40 DFAB Cc1cc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)no1 585274385 KERVQHDLICMDJY-IRXDYDNUSA-N 304.365 2.690 0 40 DFAB COc1ccc(CNCc2ccc(C)nc2)c(OC)c1OC 47826027 MXYABQAHALJAQF-UHFFFAOYSA-N 302.374 2.706 0 40 DFAB Cc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)s1 51098245 HEVOKMSNXISYHB-UHFFFAOYSA-N 315.442 2.846 0 40 DFAB O=C(N1CCCN(C2CCC2)CC1)C1(c2ccc(F)cc2)CC1 826584124 AISSBDLOZWGSFV-UHFFFAOYSA-N 316.420 2.944 0 40 DFAB CN(c1nc(O)c2cnn(C)c2n1)[C@@H]1CCC[C@@H]1C(C)(C)C 574623687 DACXWDDZBHODIY-NWDGAFQWSA-N 303.410 2.720 0 40 DFAB CCn1cc(CC(=O)NCCn2ccnc2C)c2ccccc21 19524793 XSEJNBLVMZPXFN-UHFFFAOYSA-N 310.401 2.525 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169310389 AATLTRSTZYMCGM-INMHGKMJSA-N 314.404 2.796 0 40 DFAB COc1ccc(C[C@H](C)NC(=O)C(F)(F)Cl)cc1OC 153031829 ZUDNSWQIGNNAJS-QMMMGPOBSA-N 307.724 2.583 0 40 DFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Cl)s1 8477322 BCEGQXWUBNOFRJ-JXMROGBWSA-N 324.789 2.806 0 40 DFAB Oc1ccc(CC[C@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1 13378190 GZVIQGVWSNEONZ-KDURUIRLSA-N 316.397 2.775 0 40 DFAB biogenic,in-vitro C[C@H]1CN(CC(=O)Nc2ccc(F)cc2Cl)C[C@H](C)O1 23994926 ZGIFAWDLIFBMCN-UWVGGRQHSA-N 300.761 2.527 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)Nc1ccccc1F 10608554 LJCKQSMEVAWCLN-UHFFFAOYSA-N 318.356 2.639 0 40 DFAB CCOc1ccccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O 12414625 VLDJOCQNZHMTTB-UHFFFAOYSA-N 324.336 2.885 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)COc3ccc(C)cc3)ccc21 17288842 XQMGZDQLDGTGLW-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB Cn1cc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)cn1 1775973067 GYPXDRLLVHXYDY-UHFFFAOYSA-N 307.401 2.704 0 40 DFAB CC(=O)OC(C)(C)C(=O)NCc1cc(-c2ccco2)cs1 1775968962 ZVIKLEXKVYDDCF-UHFFFAOYSA-N 307.371 2.966 0 40 DFAB CC(C)c1nccc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 347152751 PTOQUMIYSPBLSS-CYBMUJFWSA-N 304.438 2.731 0 40 DFAB CC(=O)NCCC(=O)NCc1ccc(Oc2ccccc2)cc1 69508209 ZLKMTOJPWGPDMC-UHFFFAOYSA-N 312.369 2.621 0 40 DFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 7882122 IBXAYXMSDLJUEV-QAPCUYQASA-N 322.408 2.913 0 40 DFAB CCc1nc(CNC[C@@H]2CCO[C@@H]2c2cnn(CC)c2)cs1 83830335 LZXBLZMYHVVPJP-LRDDRELGSA-N 320.462 2.789 0 40 DFAB COCCCN1COc2ccc3c(C)c(C)c(=O)oc3c2C1 57151845 ZOEDTJSKGLHJDW-UHFFFAOYSA-N 303.358 2.598 0 40 DFAB CC[C@H](OC(=O)c1cc(C)ccc1O)C(=O)Nc1cc(C)on1 32837609 SUMUMQMCUOCBCQ-ZDUSSCGKSA-N 318.329 2.571 0 40 DFAB O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cccnc1 32818328 QJJKTQTVZLYRKU-NWDGAFQWSA-N 302.296 2.702 0 40 DFAB CC(C)(C)c1cnc(COc2cccc3c2NC(=O)CO3)o1 91605974 GTOOMVOPUTWGBA-UHFFFAOYSA-N 302.330 2.882 0 40 DFAB COCc1cc(N(Cc2ccsc2)C2CC2)n2ncnc2n1 71904128 VTFRDJPNNNCTSG-UHFFFAOYSA-N 315.402 2.501 0 40 DFAB COc1ccc(CCNC(=S)c2ccc(O)c(OC)c2)cc1 9188125 UYWYLOIVWQMFDY-UHFFFAOYSA-N 317.410 2.917 0 40 DFAB Cc1cc(Nc2c(C)nn(-c3ccccc3)c2C)n2ncnc2n1 32907699 AQXAPTUBTIKDFK-UHFFFAOYSA-N 319.372 2.979 0 40 DFAB CCOC(=O)CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2734311 YRYHEQAVUWJYBU-UHFFFAOYSA-N 324.336 2.788 0 40 DFAB NC(=O)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 33002152 MQIQHEGFTOOAJP-UHFFFAOYSA-N 314.410 2.753 0 40 DFAB CC(C)c1nc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cs1 46746982 HOIYERACPZKFLX-ZDUSSCGKSA-N 321.446 2.821 0 40 DFAB CCn1cc(NC(=O)NC2(c3ccccc3)CCOCC2)cn1 71900737 HOWLQOPMQACGBO-UHFFFAOYSA-N 314.389 2.730 0 40 DFAB NC1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 37367660 UAXKASAQBBIOHN-UHFFFAOYSA-N 317.614 2.666 0 40 DFAB COc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1 547900 BTBCTQNMORAHED-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB COC(=O)c1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 7925220 BAVSJELVCICTGP-PTNGSMBKSA-N 307.305 2.818 0 40 DFAB COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68724745 UEJJWPZMBWSHBG-UWVGGRQHSA-N 316.184 2.776 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCOCC1 89800335 JKPSOVFNSGLADA-UHFFFAOYSA-N 315.413 2.824 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2F)n1 47409328 VZURAGCZXJLNLA-HNNXBMFYSA-N 303.337 2.746 0 40 DFAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1cccs1 54042092 TXENZKFDODIMEB-MNOVXSKESA-N 314.476 2.573 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nnnn2C(C)C)c(C)c1 16452746 JAYUEDPQGVWXHD-UHFFFAOYSA-N 319.434 2.910 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCCCc3ccccc3)nn2)cc1 23127087 KGCHACZJSDQLCS-UHFFFAOYSA-N 320.396 2.938 0 40 DFAB COc1cccc(CNC(=O)[C@H]2CC(=O)OC23CCCCC3)c1 57355711 BHLFJKSGLVGKGF-OAHLLOKOSA-N 317.385 2.577 0 40 DFAB CCN(CC(=O)NC(=O)NCc1cccs1)c1ccccc1 53051845 TWQACULARIQAOI-UHFFFAOYSA-N 317.414 2.600 0 40 DFAB CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 55325068 WIIGDMJSYPWZDQ-ZHACJKMWSA-N 309.369 2.872 0 40 DFAB COc1ccc(F)cc1COC(=O)c1c(C)cc(=O)oc1C 25046596 ZQXBITFVZSJREM-UHFFFAOYSA-N 306.289 2.761 0 40 DFAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cccc(Cl)c1Cl 43503575 QVNRNXNYUMNRJG-LBPRGKRZSA-N 320.197 2.684 0 40 DFAB O=C(CNC(=O)N[C@@H](c1cccs1)C1CCCC1)NC1CC1 48178714 UHVPTVNXEKHISD-OAHLLOKOSA-N 321.446 2.557 0 40 DFAB COc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1O 58232424 MFVXBRBIXUTKLS-OAHLLOKOSA-N 307.777 2.877 0 40 DFAB O=C(NCCCn1ccnc1)N[C@H]1CCSc2ccccc21 44946432 NNKNXLYJIIAPBU-AWEZNQCLSA-N 316.430 2.810 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)NC[C@H]2COc3ccccc3C2)C1 76085854 OKFWQZJMWHDHGF-AEGPPILISA-N 320.458 2.821 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)CC[C@@H]2CCCO2)c1C 58357334 VSONISSSQLEZGN-AWEZNQCLSA-N 306.406 2.625 0 40 DFAB O=C(CCc1ccccc1F)NCc1cn2ccsc2n1 58306641 QMCLXHBUIKIMJM-UHFFFAOYSA-N 303.362 2.784 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2C)o1 408563061 TXWAAFUIEJARLK-UHFFFAOYSA-N 306.749 2.918 0 40 DFAB CCSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1 58530664 SFSYNEOHQLQQFN-ZDUSSCGKSA-N 310.467 2.805 0 40 DFAB Cn1ccc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc21 36365540 HPDJPYLCLDASIB-UHFFFAOYSA-N 320.396 2.536 0 40 DFAB Cc1nc(CNC(=O)NC2CC(c3cccc(Cl)c3)C2)no1 76088042 IJNSQGFCBYJEAR-UHFFFAOYSA-N 320.780 2.777 0 40 DFAB CCCc1noc(CCC(=O)N[C@@H]2CCOc3ccccc32)n1 28438501 BJHGUCKPSKIZTR-CYBMUJFWSA-N 315.373 2.595 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(O)c1 3494616 DKDNVZGHHFYDBN-UHFFFAOYSA-N 321.279 2.774 0 40 DFAB CS(=O)(=O)CCSc1ncc(-c2ccc(F)cc2)o1 48598815 ZBFNHYMBRYBBCZ-UHFFFAOYSA-N 301.364 2.617 0 40 DFAB O=C(Nc1nccs1)NC1CCN(CC2CCCC2)CC1 63321450 KAHXLUZETONQBP-UHFFFAOYSA-N 308.451 2.919 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@H](n2ccnc2)C1 69660295 PZBJYBLJMGMLSY-HNNXBMFYSA-N 306.369 2.909 0 40 DFAB Cn1cnnc1C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 69328622 ZQVVQDKURJIXFC-KRWDZBQOSA-N 324.428 2.641 0 40 DFAB C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(CC)cc1 4113699 FAYNQFLMDXBZCY-NBUZRDOWSA-N 314.385 2.996 0 40 DFAB O[C@H](CNc1ncnc2[nH]ncc12)c1cccc(C(F)(F)F)c1 69775070 SIVKZKOHIIZFJY-LLVKDONJSA-N 323.278 2.517 0 40 DFAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)on1 14199155 MGAMKJAZAOOAEL-SECBINFHSA-N 315.398 2.928 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nccs2)C1 171644927 FXVAZIVBWWMGFS-SECBINFHSA-N 308.432 2.577 0 40 DFAB O=C(c1cnc2cc3c(cc2c1)OCCO3)c1ccccc1O 6585794 BXHVTENKPGSSMI-UHFFFAOYSA-N 307.305 2.943 0 40 DFAB CC(=O)Nc1ccc(OC(=O)c2cc(=O)[nH]c3ccccc23)cc1 14628156 HCEURDKWAIOPJF-UHFFFAOYSA-N 322.320 2.706 0 40 DFAB CC1CCC(O)(CN2CCC[C@@H](Cc3nccn3C)C2)CC1 90003897 HLWHCMCFGSMDHZ-PQUAAJSLSA-N 305.466 2.616 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2ccc(C(=O)OC)cc2)s1 7346922 BNQNVKZSXCYFJD-RMKNXTFCSA-N 317.370 2.539 0 40 DFAB O=C(COC(=O)c1cccs1)NCc1cccc(Cl)c1 7533200 HQACFPXXBAGODF-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB CC1CCC(C(=O)N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 96000798 NJTFRSDZXUFHIU-JXQTWKCFSA-N 321.421 2.919 0 40 DFAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2nc[nH]n2)o1 78756383 LJFBSAZXADMYOM-AAEUAGOBSA-N 302.378 2.639 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@H]1N(C)C 78895643 LVZHGJSFKXMLOM-IAQYHMDHSA-N 317.820 2.910 0 40 DFAB COc1c(C)cnc(CSc2nnc(N(C)C)s2)c1C 78818176 AISYVPXSGUNLHA-UHFFFAOYSA-N 310.448 2.917 0 40 DFAB Cc1cccc(C2(C(=O)N3CCC[C@@H](C(N)=O)C3)CCCC2)c1 71847306 RSYSYMMLAGBUPF-OAHLLOKOSA-N 314.429 2.531 0 40 DFAB COC(=O)[C@@H](c1ccccc1C)N1CCC(n2cccn2)CC1 97148072 PJLKZWLNPMNNDG-QGZVFWFLSA-N 313.401 2.743 0 40 DFAB Cc1ncc(CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)s1 72303960 AGVCIKBUJXPULW-UHFFFAOYSA-N 316.386 2.658 0 40 DFAB O=C([C@H]1CCCO1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 84369135 YBPOXEVAGZYKPL-NVXWUHKLSA-N 315.369 2.521 0 40 DFAB C[C@H](CC(=O)NCC1(CCO)CCOCC1)c1ccc(F)cc1 84636763 GTHKEZQXUQFDDB-CQSZACIVSA-N 323.408 2.615 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@H]1N(C)C 84714364 NGTHMWNODQMEPB-XHDPSFHLSA-N 317.820 2.910 0 40 DFAB CCc1ccc([C@H](C)NC[C@]2(N3CCOCC3)CCSC2)o1 95420916 MJXNQNMNWAKYRJ-WMLDXEAASA-N 324.490 2.701 0 40 DFAB CC(C)Oc1cc(CNC(=O)CC2(O)CCCCC2)ccn1 95434578 XBRNMFZKZRVIDS-UHFFFAOYSA-N 306.406 2.570 0 40 DFAB Cc1cc(N)nc(SCCC(=O)N[C@H](C)c2ccccc2)n1 74024834 PMHXWXVGCKSTBO-GFCCVEGCSA-N 316.430 2.727 0 40 DFAB Cc1ccc(=O)n(CCc2cc(Cl)c3c(c2)OCCCO3)n1 95986600 AFCGVHCXTZOWDO-UHFFFAOYSA-N 320.776 2.609 0 40 DFAB COc1cc([C@@H](C)NC(=O)N2CCC[C@H]2C(C)(C)O)ccc1F 95939482 JRINMLVMNUVSEW-ABAIWWIYSA-N 324.396 2.840 0 40 DFAB C[C@H]1CSC(SCC(=O)Nc2nc3c(s2)CCC3)=N1 95980508 LFOWPLBRDIKFMG-ZETCQYMHSA-N 313.473 2.795 0 40 DFAB Cc1cccc([C@H](C)NC(=O)NC[C@]2(O)CCSC2)c1C 89686414 WQRUQKKTXCZNLP-XJKSGUPXSA-N 308.447 2.532 0 40 DFAB Cc1cc(CNC(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)no1 89604895 PRLGWJLDKICDAD-CJNGLKHVSA-N 315.373 2.655 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](N[C@@H](C)CS(C)(=O)=O)CCCO2 89633348 KBCIKVLXZIFMQS-DZGCQCFKSA-N 311.447 2.540 0 40 DFAB CCCCCC1CCC(C(=O)NCCN2CCOCC2)CC1 20405434 RMQXTCRZQKXGJJ-UHFFFAOYSA-N 310.482 2.822 0 40 DFAB COc1ccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)cc1 35981484 AUMXYQDEXWDXLH-UHFFFAOYSA-N 313.357 2.841 0 40 DFAB CO[C@@H]1C[C@@H]2C[C@H](Nc3cccc(N(C)C(N)=O)c3)C[C@@H]2C1 521396119 IVTQCBKHAOXGNA-UYHFZUPTSA-N 303.406 2.817 0 40 DFAB Cc1ccc(C(N)=O)c(OC[C@@H](O)c2ccc(F)cc2Cl)c1 185049951 SLHIDJHKRHPUJP-CQSZACIVSA-N 323.751 2.999 0 40 DFAB O=S(=O)(NCc1ccc(-c2ccccc2)s1)[C@H]1CCOC1 528447159 WUNQQQBFLSGJFH-AWEZNQCLSA-N 323.439 2.623 0 40 DFAB Cn1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)n1 32778125 LVPYGTBAOXYRII-UHFFFAOYSA-N 316.361 2.864 0 40 DFAB C[C@H](NC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1)[C@@H](C)CO 77703492 VNCXGCWMASDDBO-RDBSUJKOSA-N 305.422 2.671 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241868 DNARPIMQAQEFOG-GDBMZVCRSA-N 306.381 2.652 0 40 DFAB Cc1cccc(N)c1S(=O)(=O)NCc1ccccc1Cl 35346993 KFIDFXQVTRWDCK-UHFFFAOYSA-N 310.806 2.709 0 40 DFAB CCCCOc1ccc(C(=O)NCc2noc(CC)n2)cc1 33738923 ORVGAYOSTDFYEG-UHFFFAOYSA-N 303.362 2.741 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1nnc(C2CCCCC2)s1 71287011 UYAQTIYVNLOTHE-NXEZZACHSA-N 323.418 2.881 0 40 DFAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)nn1 72287820 KMASGZYOMZUIBL-GFCCVEGCSA-N 324.384 2.839 0 40 DFAB CCc1ccc([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 78736782 HGKRIEFAWFNICH-JTQLQIEISA-N 308.403 2.893 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1cnn(C)c1 78611790 JAXSLXHNIMZUMX-UHFFFAOYSA-N 324.388 2.578 0 40 DFAB COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCCC(C)C)cc1 222975026 VIVGKIPJAZMLJF-CQSZACIVSA-N 320.433 2.595 0 40 DFAB CCOc1ccccc1NC(=O)CN1CC(C(F)(F)F)C1 573892312 LRXFGCQBKCACCC-UHFFFAOYSA-N 302.296 2.518 0 40 DFAB CCOc1nnc(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)s1 80902990 KZTTZDMHEKTAAC-IAQYHMDHSA-N 313.467 2.604 0 40 DFAB COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1O 49544666 TUIMNOVYCPOHQL-ZDUSSCGKSA-N 305.359 2.559 0 40 DFAB Cc1ccccc1-c1csc(=O)n1Cc1cn2cccnc2n1 193629306 CUYQDCPXHOXVPQ-UHFFFAOYSA-N 322.393 2.976 0 40 DFAB Fc1ccccc1-c1noc(-c2nc(-c3ccncc3)no2)n1 98212336 AZDKHSUCANEPAD-UHFFFAOYSA-N 309.260 2.988 0 40 DFAB COC(=O)[C@H](Sc1nncn1C1CC1)c1ccccc1C 97096259 FMNFNIMHANNBIR-CYBMUJFWSA-N 303.387 2.928 0 40 DFAB c1cncc(O[C@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@H]23)c1 96100509 XIXCWQCWUOAZJM-IKGGRYGDSA-N 316.426 2.954 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccccc2)C1 96432373 UJWFKAUNYGHCRY-CABCVRRESA-N 320.458 2.549 0 40 DFAB C[C@H](OCCCNC(=O)N1CCOCC[C@@H]1C)c1ccccc1 91598324 UABNOWXVKWLQRF-HOTGVXAUSA-N 320.433 2.975 0 40 DFAB CC(=O)N1CC[C@H](Cc2cc(-c3nc(C)c(C)s3)ncn2)C1 257304509 SLZFXRXWWUVEOE-CYBMUJFWSA-N 316.430 2.628 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 257283190 OXDDJBKTLIRTDE-CQSZACIVSA-N 319.368 2.844 0 40 DFAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C1CCCC1 585097577 MSSJDIMRYDDQEJ-ZDUSSCGKSA-N 313.405 2.571 0 40 DFAB Cc1ccc(CN2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)o1 585104289 GRQVLFMJGNEJPE-HNNXBMFYSA-N 314.385 2.795 0 40 DFAB c1ccc(OCC[C@@H]2CCOC23CN(Cc2ccco2)C3)nc1 585102613 CBGVOZOFNBDZGL-OAHLLOKOSA-N 314.385 2.735 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)CCC2CCCC2)CC1 44448640 IPWBIUCNPBZNON-UHFFFAOYSA-N 319.449 2.906 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2ccccc2OC(F)F)CCO1 69371801 XSRWXXPVLUCCKF-SNVBAGLBSA-N 300.305 2.931 0 40 DFAB CC(C)(C)c1ccc2c(c1)[C@H](NCC1(CO)COC1)CCC2 90606272 NMTJRFOVCIFGOQ-QGZVFWFLSA-N 303.446 2.960 0 40 DFAB O=C(N[C@H](C(=O)O)c1ccccc1)c1coc(Br)c1 95947189 RYAOMTSNIFUAMM-NSHDSACASA-N 324.130 2.598 0 40 DFAB O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](I)(C3)C1)C2 100262114 VMCNPOBDWYHJAP-YDRMRZIKSA-N 306.143 2.845 0 40 DFAB CCOC(=O)c1c(SC)n[nH]c1NC(=O)c1ccccc1 5728096 FQOSXCUQVIVAID-UHFFFAOYSA-N 305.359 2.561 0 40 DFAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCC[C@@H]1CCOC1 13996132 QWGUJTJCZNFWEH-CQSZACIVSA-N 313.401 2.932 0 40 DFAB CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC 13992477 UDNSKPGHQUIQDP-UHFFFAOYSA-N 308.382 2.730 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccccc1OC(F)F 17054856 ANFBLRNICVPSLR-DJBIQUGXSA-N 319.307 2.990 0 40 DFAB Cc1nonc1CN(C)Cc1cnn(-c2ccc(Cl)cc2)c1 19659087 SFCGHLUCYKFJBE-UHFFFAOYSA-N 317.780 2.849 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 206446696 HUOCUHCPAACZKO-OEHCEXGNSA-N 305.761 2.785 0 40 DFAB Cc1ccc(OCC(=O)NCCC2CCN(C)CC2)cc1C 156367127 XZVLBJFKSRJQCN-UHFFFAOYSA-N 304.434 2.530 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c1 3855848 RCSFKLPHFWXENP-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2N 118925785 CPNKFWQTLWHDPO-DHKQUUGRSA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro Cc1nc(C(=O)N2CCc3cc(Br)ccc32)co1 185875939 OIOAPWFWGHJUKP-UHFFFAOYSA-N 307.147 2.948 0 40 DFAB COc1ccc2o/c(=N\c3ccc(F)cc3)c(C(N)=O)cc2c1 191892 LJYSQSCYYWFTBX-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB COc1cc2c(cc1OC)[C@H](c1ccc(C(=O)O)cc1)NCC2 139555 KVGKBCFFKRIJJT-KRWDZBQOSA-N 313.353 2.637 0 40 DFAB CCCc1cc(=O)[nH]c2nnc(SCc3ccccc3)n12 4250242 YFHPTMTUPNTPHO-UHFFFAOYSA-N 300.387 2.662 0 40 DFAB CC[C@@H](C(=O)NCc1n[nH]c(=O)c2ccccc12)c1ccccc1 5313329 VFSJTJREPBRORQ-CQSZACIVSA-N 321.380 2.733 0 40 DFAB Cc1ccc(-n2nnnc2CNC(=O)CCC2CCCC2)cc1 9570568 PLXNODRJTJCUGK-UHFFFAOYSA-N 313.405 2.557 0 40 DFAB O=C(NCC1(c2cccs2)CC1)C(=O)Nc1ccc(F)cc1 22682728 PBVUGXXXZGSIQF-UHFFFAOYSA-N 318.373 2.674 0 40 DFAB Cc1cccc(C(=O)N2CCC(Oc3ncc(F)cn3)CC2)c1 1775973758 SQEPQARZNKEZOP-UHFFFAOYSA-N 315.348 2.608 0 40 DFAB O=C(Cc1ccsc1)NCCn1cc(-c2ccco2)cn1 575614792 HZAKTGICTKVGLZ-UHFFFAOYSA-N 301.371 2.564 0 40 DFAB Cn1c(S[C@@H](C(=O)O)c2ccccc2)nnc1-c1ccco1 96191772 GFEHXXQQFWSZBC-GFCCVEGCSA-N 315.354 2.993 0 40 DFAB O=C(Cc1cccc(F)c1)NCc1ccc(N2CCCC2)nc1 30299115 QRFBIHYEZHCEAJ-UHFFFAOYSA-N 313.376 2.680 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40089870 IJGXAWKARWGYBU-CYBMUJFWSA-N 319.380 2.692 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1 20119725 PAACXGNAIKPOBG-VAWYXSNFSA-N 308.381 2.604 0 40 DFAB COC(=O)c1oc(COC(=O)c2ccc(OC)c(F)c2)cc1C 30739752 DXCCNODLYXYUQO-UHFFFAOYSA-N 322.288 2.879 0 40 DFAB O=C(CCC(=O)c1cccs1)NCc1cn2ccccc2n1 7945138 VJNYYQQMHBXKMX-UHFFFAOYSA-N 313.382 2.675 0 40 DFAB COC(=O)C[C@H](CN)c1ccc(OC)c(OC2CCCC2)c1 1405302 GBXCTFZGFGJMTP-CYBMUJFWSA-N 307.390 2.622 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2cccnc2Cl)c1O 3571189 LNSUHRTZVPSODA-UHFFFAOYSA-N 320.732 2.545 0 40 DFAB NC(=O)c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 8074361 QWRHPASHZNOHQU-UHFFFAOYSA-N 307.353 2.769 0 40 DFAB biogenic C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1C1CCCC1 69568717 PLXPTAVKXJCCTA-LLVKDONJSA-N 322.409 2.850 0 40 DFAB CC[C@H](CNC(=O)c1ccncc1)N1CCc2ccccc2C1 32445814 UEZBOQYJPQGBIS-GOSISDBHSA-N 309.413 2.648 0 40 DFAB Nc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1 357808 BQCZGIQILFZTOZ-UHFFFAOYSA-N 303.321 2.805 0 40 DFAB O=C(c1ccccc1)[C@H](O)NC(=S)c1ccc(Cl)cc1 6514707 DRLBXXXRCDQJSC-AWEZNQCLSA-N 305.786 2.806 0 40 DFAB Nc1ncc(Br)nc1N1CCC[C@@H]1c1cccnc1 6733654 SYMSYRLBCVDSCN-SNVBAGLBSA-N 320.194 2.558 0 40 DFAB COC(=O)CCCCCNC(=O)COc1ccccc1Cl 7777862 HQIVGTPHNAXMLP-UHFFFAOYSA-N 313.781 2.568 0 40 DFAB O=C(Nc1ccccc1F)c1nc(-n2ccnc2)ncc1Cl 46086702 SNWOACJQWMOYBJ-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCC1=C(C(=O)OC)[C@H](/C=C/c2ccccc2)n2ncnc2N1 10272187 RIGFCYNDCGECPB-HBWSCVEGSA-N 310.357 2.795 0 40 DFAB O=C(CCCc1cccs1)NCCNC(=O)c1ccccc1 32908211 QHILCCFQHFJBAK-UHFFFAOYSA-N 316.426 2.617 0 40 DFAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)C2CCCC2)C1 69583698 HIQVATGTNSODEE-HNNXBMFYSA-N 319.380 2.738 0 40 DFAB O=c1n(CCNc2cccc3ccccc23)nc2ccccn12 37175939 OAOIBZGJCWVJMS-UHFFFAOYSA-N 304.353 2.761 0 40 DFAB COc1ccc([C@@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 22414235 VSKGBOQXHUUFAE-SXSDINLZSA-N 314.385 2.721 0 40 DFAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O 42179357 MHORTOCDMHLSFT-MRXNPFEDSA-N 322.792 2.722 0 40 DFAB C[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1nc2ccccc2[nH]1 54056158 JUEMLIIRDRVMCY-MRVPVSSYSA-N 315.764 2.883 0 40 DFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CNCc1ccccn1 102971114 VJMNNNJDUNTRJC-CGTJXYLNSA-N 316.445 2.541 0 40 DFAB CCOCCCNS(=O)(=O)c1cc(Cl)ccc1Cl 2803582 DKVYIBAUMNYSLQ-UHFFFAOYSA-N 312.218 2.698 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1OC(F)F 101779810 ADSJURQETKKVPA-FQPOAREZSA-N 323.295 2.749 0 40 DFAB O=C(C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 47073394 DYPMGQFVCAHCKC-ZIAGYGMSSA-N 313.401 2.838 0 40 DFAB CCc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 24923589 JVDRCLXHFVTWDT-UHFFFAOYSA-N 316.430 2.949 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2nnc(C)s2)cc1F 43408818 XEIABRNKRIMMOF-ZETCQYMHSA-N 310.354 2.877 0 40 DFAB Cc1ccc(CCC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 25289063 HXRUZHWZDBBZAH-UHFFFAOYSA-N 316.445 2.691 0 40 DFAB CCOc1ccccc1CCC(=O)Nc1ccc(C(N)=O)cc1 25491955 RCYBTJULSNFNKO-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB C[C@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)NC(N)=O 56207725 NYPGVXTVASKOOW-JTQLQIEISA-N 317.320 2.613 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ncoc1-c1cccs1 78161093 OBWJRVFPTKFGED-FZQKWOKYSA-N 318.398 2.946 0 40 DFAB O=c1ccc2c([nH]1)CCC[C@H]2Nc1nccc(C(F)(F)F)n1 44715216 FBPUUBPCNGPBCX-SNVBAGLBSA-N 310.279 2.673 0 40 DFAB OCCn1nccc1C1CCN(CCCc2ccccc2)CC1 58289741 IULQVXOPKMEFRX-UHFFFAOYSA-N 313.445 2.688 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 44966508 OANPJKHHFFAZRA-ZDUSSCGKSA-N 317.393 2.578 0 40 DFAB Cc1ccsc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 44917192 ZKONEKUODATGTN-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB Cc1nccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)n1 58367561 LFRZZOLKAGQMPR-UHFFFAOYSA-N 324.384 2.582 0 40 DFAB COc1ccc(NC(=O)CSc2ccccn2)cc1OC 3253223 RTPXFUHOOJXKDN-UHFFFAOYSA-N 304.371 2.830 0 40 DFAB CCOc1ncccc1CNC(=O)c1nccc2ccccc12 58433829 SDQBGLDLYJUTCQ-UHFFFAOYSA-N 307.353 2.959 0 40 DFAB C[C@H](Cc1ccccc1Br)NCc1cnn(C)c1 89904217 VJCZBMIKJRPUKA-LLVKDONJSA-N 308.223 2.903 0 40 DFAB Cc1ccc(C)c(N2N=C(C(=O)N3CCCCC3)CCC2=O)c1 28649103 LKKHSVMMPFKRLH-UHFFFAOYSA-N 313.401 2.799 0 40 DFAB COc1ncccc1NC(=O)NCCCCN1CCC[C@H](C)C1 48326039 UWAVSTXFAZOHCZ-AWEZNQCLSA-N 320.437 2.724 0 40 DFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccco2)c1 48333096 MPVAZUQEOUZJRR-LBPRGKRZSA-N 300.358 2.738 0 40 DFAB COC(=O)c1cc(C(=O)NC[C@@H](C)c2cccc(C)c2)ccn1 81783355 YAENNWYYDATBSH-CYBMUJFWSA-N 312.369 2.710 0 40 DFAB O=C(O)CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 13428741 ARFOVSKTBBJUOF-UHFFFAOYSA-N 315.344 2.872 0 40 DFAB O=C(c1ccc(Cl)o1)N1CCCN(c2nccs2)CC1 64473483 GEVOWNCZCBGHGM-UHFFFAOYSA-N 311.794 2.742 0 40 DFAB CCOc1ccc(NC2=NC(=O)S[C@H]2CC(=O)OC)cc1 13635978 SGUTWKILHKAHKU-NSHDSACASA-N 308.359 2.694 0 40 DFAB O=C(CCOc1cccc(F)c1)N1CCC[C@H](n2cccn2)C1 69432632 CPQGCPAERRRKRE-HNNXBMFYSA-N 317.364 2.655 0 40 DFAB c1nnc(SCc2nc(-c3ccc4c(c3)OCO4)no2)s1 69419050 VSMCDJPXGCTAQL-UHFFFAOYSA-N 320.355 2.609 0 40 DFAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccc(Cl)cc1 5186238 MUIFOYDGZGTWPO-UHFFFAOYSA-N 315.760 2.821 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(CO)c2ccccc21 4335237 GSICQWIHQDLBLI-HLLBOEOZSA-N 316.445 2.757 0 40 DFAB COc1ccc(F)cc1[C@@H](C)NC[C@H]1CNc2cc(C)nn2C1 69847939 BFHJMSMSTGYBNI-OLZOCXBDSA-N 318.396 2.732 0 40 DFAB Cc1ncc2c(n1)CN(Cc1ccn(-c3cccc(F)c3)n1)CC2 69845094 BZFGKLIIWQYCQI-UHFFFAOYSA-N 323.375 2.668 0 40 DFAB COC(=O)CSCCC(=O)Nc1ccc(C)cc1Cl 69897713 CHQZXFRHGMFQQO-UHFFFAOYSA-N 301.795 2.883 0 40 DFAB CC(C)COC1CCN(C(=O)c2c[nH]c3ncccc23)CC1 65493472 BFIMIEUPUOGDFO-UHFFFAOYSA-N 301.390 2.840 0 40 DFAB CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@]1(C)CCS(=O)(=O)C1 4505154 UMEVCMKDIDZXKL-QGZVFWFLSA-N 323.458 2.633 0 40 DFAB O=C(N1C[C@H]2C[C@@H](C1)c1cc3nccnc3cc12)C(F)(F)F 71251084 XDLHBWIAJAKYKF-DTORHVGOSA-N 307.275 2.605 0 40 DFAB in-vitro CC(C)CCNC(=O)COCC(=O)Nc1ccc(C(C)C)cc1 4700330 OYONHWBJMJOWLX-UHFFFAOYSA-N 320.433 2.927 0 40 DFAB Cc1cncc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 80045363 VCVZZUUCKJKMQD-CABCVRRESA-N 306.431 2.517 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1 15992218 KYYJMVOCLYSCGK-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1nc(N2CCC(Nc3cccnc3)CC2)c2cc[nH]c2n1 80983850 HXPVRXQFQSCNKG-UHFFFAOYSA-N 308.389 2.742 0 40 DFAB CC[C@@H](Oc1cccc(C(=O)OC)c1)C(=O)Nc1cc(C)on1 9315680 MCFQWQMHMBLOBF-CYBMUJFWSA-N 318.329 2.566 0 40 DFAB COCCCNc1nc(N2CCCC2)nc2c1SCCC2 9305671 TWHHLJXLPAFCAA-UHFFFAOYSA-N 308.451 2.564 0 40 DFAB CCOC(=O)[C@@H]1CCCN(Cc2ccc(O)c3ncccc23)C1 19878909 RMAPNTUODKDTAT-CQSZACIVSA-N 314.385 2.716 0 40 DFAB CN1N=C(C(=O)N(c2ccccc2F)C2CCCC2)CCC1=O 96445008 BCCNQLXURZMFEJ-UHFFFAOYSA-N 317.364 2.710 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 9517053 KNZMZRBACYGGTD-UHFFFAOYSA-N 309.431 2.933 0 40 DFAB O=C(NCCCc1cccc(Br)c1)[C@H]1CCOC1 71888909 VPOJVHPEGFGFDM-LBPRGKRZSA-N 312.207 2.534 0 40 DFAB CCSc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)ccn1 78870251 JTMOIPIXEYPNQG-OCCSQVGLSA-N 307.463 2.748 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 72235213 HFARHEBARAHQBX-HNNXBMFYSA-N 320.343 2.650 0 40 DFAB COc1cccc(CN(C[C@@H]2CCCO2)c2ncc(F)cn2)c1 97021365 NBBQAMJCOBEOHP-INIZCTEOSA-N 317.364 2.810 0 40 DFAB Cc1cc(NC(=O)CCc2cnn(C)c2)n(Cc2ccccc2)n1 28242504 KNTPOMMHTMVLRG-UHFFFAOYSA-N 323.400 2.545 0 40 DFAB CC(=O)c1ccc(N(C)C)cc1OCc1noc(C2CC2)n1 97114897 GKSDKBHJDFVIRI-UHFFFAOYSA-N 301.346 2.795 0 40 DFAB O=C(c1cn2ccccc2n1)N1CCC[C@@H]1c1noc(C2CC2)n1 84606677 KUAYXCCDFHFLPL-CYBMUJFWSA-N 323.356 2.572 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c3c(cccc13)CC2 84718317 LHBPMKPYSRUFNQ-KRWDZBQOSA-N 308.381 2.888 0 40 DFAB COc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)cc1F 79720888 FBVKORMWNCRCIS-LBPRGKRZSA-N 320.330 2.808 0 40 DFAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1 95427613 RXKHWHUTWXQCGM-LBPRGKRZSA-N 312.369 2.712 0 40 DFAB COc1ccc(-c2nc(C(=O)NC(C)(C)CCO)cs2)cc1 95451248 IYAPJRFFTKLDHZ-UHFFFAOYSA-N 320.414 2.710 0 40 DFAB CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCCOC2)cc1F 95401642 CHQAIIYFDZDLCS-ZDUSSCGKSA-N 322.380 2.719 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CC[C@]2(CCOC2)C1 95427121 DLLCVBRNVJHGGC-RDJZCZTQSA-N 322.449 2.690 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(Cc1nc(C)c(C)s1)CC2 84800891 RKJVZBFFERRCCU-UONOGXRCSA-N 310.463 2.512 0 40 DFAB Cc1ccnc([C@@H](NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1 95979751 FTBAZVJVSJSXDY-INIZCTEOSA-N 317.339 2.873 0 40 DFAB c1cc(-c2nc(CSCCN3CCOCC3)cs2)co1 95977049 WDONQRQKLBONBQ-UHFFFAOYSA-N 310.444 2.969 0 40 DFAB O=C(O)C1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 95969465 ARZGOWKNVSBOJE-UHFFFAOYSA-N 305.349 2.571 0 40 DFAB Cc1cscc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 95976914 AYZPZNGCIBKMMP-UHFFFAOYSA-N 318.442 2.966 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2nccn2CC(C)C)c(C)c1 95986179 PPBFHHUAJHCLLK-UHFFFAOYSA-N 321.446 2.634 0 40 DFAB CS(=O)(=O)CCCCN1CCC[C@@H]1Cc1cccc(F)c1 89484250 MHXQJIJFXUPQAM-MRXNPFEDSA-N 313.438 2.657 0 40 DFAB COC(=O)c1sccc1NC(=O)[C@@H]1CC(=O)c2ccccc21 38488474 DHEZXEJNMHIPRX-LLVKDONJSA-N 315.350 2.843 0 40 DFAB CCC(=O)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 72362216 CVBZUICTNUMOKO-CYBMUJFWSA-N 311.389 2.731 0 40 DFAB O=C(N[C@H]1c2ccccc2CC[C@@H]1N1CCCC1)c1ccon1 521396300 KGUHBVAHWJYCGE-IRXDYDNUSA-N 311.385 2.556 0 40 DFAB CCOc1ccc(-n2nc(C(N)=O)nc2-c2ccc(C)cc2)cc1 408693695 BXYXYDGUVAURDA-UHFFFAOYSA-N 322.368 2.740 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)c1 529061064 DCGLJTFDYILPAO-HNNXBMFYSA-N 324.384 2.647 0 40 DFAB CCCOC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)OC 39086667 TYGDYCVAHQUDMB-QGZVFWFLSA-N 314.381 2.891 0 40 DFAB CNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCC1 35310737 CFDREGOELJRSGR-UHFFFAOYSA-N 302.447 2.854 0 40 DFAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C)CC1 30755585 CJIFALBGMHHRIW-SFHVURJKSA-N 312.413 2.771 0 40 DFAB Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ccccn1 32815935 RPOLDXAJPBATDN-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N1C[C@H](C)O[C@H](C)C1 78611816 GZDHJLDEHPPMBT-OKILXGFUSA-N 314.389 2.822 0 40 DFAB OC[C@@]1(NCc2cc(Cl)cc(C(F)(F)F)c2)CCOC1 189404225 NCGVRMUUDHESHO-LBPRGKRZSA-N 309.715 2.600 0 40 DFAB CN(C)c1cccc(CNCc2c[nH]nc2-c2cccnc2)c1 78552654 VFUYTRVVWRVOCN-UHFFFAOYSA-N 307.401 2.828 0 40 DFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1nc2ccc(F)cc2s1 71280753 IUAGVVBNQDQZPC-UWVGGRQHSA-N 308.334 2.731 0 40 DFAB c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc1 71828020 WEIDGSBPJZYEAT-UHFFFAOYSA-N 312.369 2.971 0 40 DFAB Cc1cc2nc(NN)sc2c(C)c1I 45888645 IODMZDDKAYIJAE-UHFFFAOYSA-N 319.171 2.803 0 40 DFAB COC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 45953411 MTHWJXGROWKLEK-ZETCQYMHSA-N 321.682 2.885 0 40 DFAB Cc1[nH]c(C[C@H]2C(=O)N=C3C=CC=C[C@@H]32)c(C)c1CCC(=O)O 85210372 BGIWWYDBDXMCES-ZIAGYGMSSA-N 312.369 2.531 0 40 DFAB Cc1ccc2ncnc(NC3CCN([C@H]4CCOC4)CC3)c2c1 89603449 AFGZMGALFIMDHZ-HNNXBMFYSA-N 312.417 2.603 0 40 DFAB CCOc1ncccc1CNC(=O)c1cccc(-n2ccnc2)c1 96409825 LNJXENPVRDOGMI-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB CC(C)c1cc(C(=O)NCc2ccccc2F)nc(N(C)C)n1 96101141 LINQRGGFXLWRMM-UHFFFAOYSA-N 316.380 2.735 0 40 DFAB CSCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 96413535 JMRQHXVRZZEZGZ-UHFFFAOYSA-N 318.801 2.677 0 40 DFAB Cc1ccc(CN2CCn3cc(C(=O)N(C)C)nc3[C@H]2C)s1 247991362 LNCXHCQIKOMPLN-GFCCVEGCSA-N 318.446 2.532 0 40 DFAB c1ccc(O[C@@H]2CSC3(C2)CN(Cc2ccncc2)C3)nc1 247857718 YIMAPRKHENJNDL-HNNXBMFYSA-N 313.426 2.616 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 257297219 RGJFOBXTAFZDPQ-CQSZACIVSA-N 301.365 2.806 0 40 DFAB C[C@@H]1CN(C(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)C[C@@H](C)O1 252581870 TUOFNVTVMPMLJT-KLHDSHLOSA-N 310.482 2.817 0 40 DFAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 257224391 FBQPBNJIMDDVFH-INIZCTEOSA-N 321.384 2.800 0 40 DFAB O=C(c1ccnnc1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 257329721 XLFVUSMVKCFZQI-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2ccc(OC)nc2)ccn1 257283912 PALNNOBPPOOGSQ-CQSZACIVSA-N 312.373 2.504 0 40 DFAB c1ccc(C[C@@H]2CCC3(CCN(c4ncccn4)CC3)CO2)nc1 257301443 RYLFYKPGURSQAU-KRWDZBQOSA-N 324.428 2.880 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 15243526 PIXUBQRYUTZMEM-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CS(=O)(=O)c1cccc(OC(=O)C=C(C2CC2)C2CC2)c1 55401453 RGJWTZCOUZQXQS-UHFFFAOYSA-N 306.383 2.742 0 40 DFAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)NC1CCCC1 67316847 UJLWTAQJYFDNSY-UHFFFAOYSA-N 318.345 2.747 0 40 DFAB COc1cc2c(cc1OC)[C@@H]1CNC(=O)[C@@H]1[C@H](c1ccccc1)C2 5121154 SAJGXCJTYSNGJN-TXPKVOOTSA-N 323.392 2.873 0 40 DFAB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)CC(=O)c1ccco1 5722404 QBHIUPQPVDCONJ-OAHLLOKOSA-N 305.717 2.654 0 40 DFAB O=C(c1cccnc1)N1Cc2ccccc2OC2(CCOCC2)C1 12121676 BFPZHJIBEDZUED-UHFFFAOYSA-N 324.380 2.666 0 40 DFAB Cc1noc(C)c1C(=O)N1CCCCC[C@H]1c1cnn(C)c1 12232608 VCPYFDOPPSKSOV-AWEZNQCLSA-N 302.378 2.782 0 40 DFAB Cc1ccc(OCC(=O)NCCCN2CCC(C)CC2)cc1C 13675602 FALDFUGZPRNOBL-UHFFFAOYSA-N 318.461 2.920 0 40 DFAB O=C(O)CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O 16904960 HJQPBCQOLPBTKQ-SQXCDDPUSA-N 323.757 2.930 0 40 DFAB Cc1ncnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1C 1888843013 DGIYAJTUYNNMOS-UHFFFAOYSA-N 324.306 2.775 0 40 DFAB Cc1cn2nc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)ccc2n1 1889019162 UFBVNFZGCUADPV-UHFFFAOYSA-N 318.340 2.680 0 40 DFAB COc1cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)ncn1 1889191419 FGLSHOMDMNVZCM-UHFFFAOYSA-N 321.384 2.774 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)Cc1nnsc1Cl 40474013 SBJVBCOEJOYWOZ-UHFFFAOYSA-N 311.794 2.942 0 40 DFAB O=C(CC(c1ccccc1)c1ccccc1)NCCn1nccn1 238920369 SZFJOOUJRGGDKU-UHFFFAOYSA-N 320.396 2.617 0 40 DFAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cs1 6530078 PHQRUHIINMVRER-UHFFFAOYSA-N 322.455 2.809 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 16916450 KVGMEJZVIAUUCG-UHFFFAOYSA-N 302.280 2.736 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1F 537525 NRJIRCLDJSOYEU-HNNXBMFYSA-N 316.332 2.732 0 40 DFAB Cc1cc(CN2CCN(c3nc4ccccc4nc3C)CC2)on1 30003809 PUFUATITOJKGGP-UHFFFAOYSA-N 323.400 2.557 0 40 DFAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 100798409 LWRWSCOGNDGLFM-CQSZACIVSA-N 324.336 2.538 0 40 DFAB biogenic O=C(c1ccc(CSc2ccccn2)cc1)N1CCOCC1 115824 IDGLCWGVDWDALA-UHFFFAOYSA-N 314.410 2.846 0 40 DFAB Cc1ccc2nc(CN(C)Cc3cccc(F)c3)cc(=O)n2c1 7420396 ARXHCCOGTIFTSV-UHFFFAOYSA-N 311.360 2.774 0 40 DFAB O=C(NCc1cccnc1)c1c[nH]c2cc(Cl)ccc2c1=O 31814059 CULFNVMDTXSDSX-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB Cc1cc2c(=O)n(C)c(=O)n(Cc3ccc(Cl)cc3)c2s1 32087798 OUDMWKSKDZGBPE-UHFFFAOYSA-N 320.801 2.772 0 40 DFAB O=C(Nc1ccncc1)C1CCN(C(=O)Nc2ccccc2)CC1 20956098 JIYOGYDACXEKLA-UHFFFAOYSA-N 324.384 2.964 0 40 DFAB Cc1nc(S[C@@H](C)C(=O)NC(N)=O)n(C2CCCCC2)c1C 6973389 FRIXQWJLYPPECE-NSHDSACASA-N 324.450 2.681 0 40 DFAB Fc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1 7601790 VBEIFEUUNWMANN-UHFFFAOYSA-N 301.350 2.885 0 40 DFAB Cn1nccc1CNc1ccccc1I 36901319 ZOGIZDJXAKQOBK-UHFFFAOYSA-N 313.142 2.637 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nnn[nH]3)s2)c(C)c1 60380464 XZVRIEOXBASXOI-UHFFFAOYSA-N 314.374 2.501 0 40 DFAB Cc1cc(CS(=O)(=O)NCC[C@@H](C)c2ccccc2)no1 69811166 XHHIUIZGRLELAL-GFCCVEGCSA-N 308.403 2.596 0 40 DFAB COc1ccc(Cc2nnc(Nc3cccc(C)c3)[nH]c2=O)cc1 9780909 MOXDUMYEVYTNIZ-UHFFFAOYSA-N 322.368 2.816 0 40 DFAB Cn1ccs/c1=N/C(=O)COc1c(Cl)cccc1Cl 102006776 AATXRXMHPVOJGF-NTCAYCPXSA-N 317.197 2.900 0 40 DFAB Fc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1 523640 PIWOCHFLZWLQSH-UHFFFAOYSA-N 311.345 2.837 0 40 DFAB O=C1CC(=O)N(c2ccccc2)C(=S)N1CCc1ccccc1 2776356 JEOJILPODATLSE-UHFFFAOYSA-N 324.405 2.780 0 40 DFAB COCc1c(C(=O)N2CCO[C@H]3CCC[C@H]32)oc2ccccc12 53375673 DDTKQSFYYHKMQJ-ZBFHGGJFSA-N 315.369 2.973 0 40 DFAB CN(C)[C@H](CNC(=O)Nc1ccncc1)c1c(F)cccc1F 71909160 MEHMNBSLQASQEH-CQSZACIVSA-N 320.343 2.784 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 37410516 BLRZDZXAQVKLML-VIFPVBQESA-N 307.346 2.977 0 40 DFAB Cc1cc(C)cc(C(=O)NCCc2nnc3n2CCCCC3)c1 54535872 XMIOPENKGXAMRW-UHFFFAOYSA-N 312.417 2.594 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)N1CCc2sccc2C1 23956347 NYVHIEVLHSSSSF-MRVPVSSYSA-N 311.457 2.665 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 12515370 IIXIQCQQSFPNKO-INIZCTEOSA-N 323.396 2.686 0 40 DFAB CCN(Cc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1 12552701 YGGVTGJGBQMFSS-UHFFFAOYSA-N 317.410 2.752 0 40 DFAB Cc1occc1CN(C)C(=O)c1ccc(Cn2cncn2)cc1 55463145 KYQXVJKPAZTBRI-UHFFFAOYSA-N 310.357 2.500 0 40 DFAB Cc1nnc([C@@H](C)N2CCCN(Cc3ccccc3C)CC2)o1 106652272 CLJUXQZGQLPBAX-OAHLLOKOSA-N 314.433 2.955 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 106661654 HOHMIPSKHRVAIE-JQHSSLGASA-N 316.445 2.677 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-n2cncn2)cc1 107313378 FKANKIDCSVDYGD-HRCADAONSA-N 310.401 2.710 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1ccc(F)c(Br)c1 35300610 LYBYOKMJOUZKHQ-LLVKDONJSA-N 302.143 2.637 0 40 DFAB C[C@]1(C(=O)OCC(=O)Nc2ccccc2)CC1(Cl)Cl 3234953 PQWUIQVMMQXYIH-GFCCVEGCSA-N 302.157 2.752 0 40 DFAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1OC 1803043 YZMXTXCFMGCWOB-UHFFFAOYSA-N 313.419 2.657 0 40 DFAB CCn1ccc2cc(NC(=O)CCNC(=O)[C@@H]3C[C@H]3C)ccc21 58222802 XXHYERQHHIXUPO-IUODEOHRSA-N 313.401 2.762 0 40 DFAB C[C@H](CC(=O)NCc1ccccc1N1CCOCC1)C1CC1 58289785 UZGNHJPKTAHNHL-CQSZACIVSA-N 302.418 2.576 0 40 DFAB CCCS(=O)(=O)NCc1ccc(OC)cc1C(F)(F)F 58357647 NAMPRZCXMBUMEV-UHFFFAOYSA-N 311.325 2.543 0 40 DFAB COc1c(CNCc2nc3ccccc3s2)c(C)nn1C 58391223 IYRQBEPLAZOJTQ-UHFFFAOYSA-N 302.403 2.637 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccn(C)n1 28077826 AQAWSLVDGSMPRM-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 58421710 PWMNTSPRSLXMNW-KOLCDFICSA-N 303.280 2.799 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1Cl)O[C@@H]1CCOC1=O 3370238 WJQCJPVZUSMZFO-JRBALWBOSA-N 301.125 2.865 0 40 DFAB O=C(COc1ccccc1-c1ccccc1)NC1=NCCS1 3323290 MUNGQAOFBXRIMW-UHFFFAOYSA-N 312.394 2.951 0 40 DFAB Cc1ncc(CN(C)C(=O)Nc2ccc(N(C)C)nc2)s1 48308593 BREBOCIJWMTHBX-UHFFFAOYSA-N 305.407 2.576 0 40 DFAB Nc1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Cl 3451517 UNFKFZCNNRCCPS-UHFFFAOYSA-N 304.733 2.718 0 40 DFAB Cc1ccc(F)cc1NC(=O)CCNC(=O)c1cccs1 12978927 YOLRASHVIZNCLU-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ccccc1)CC2 4383923 DDSHIPPHMFBBSN-UHFFFAOYSA-N 317.392 2.995 0 40 DFAB CCc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1OC 16780394 SJCFYVCFLRJINL-BETUJISGSA-N 311.447 2.924 0 40 DFAB c1ccc([C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)cc1 69741388 FZTGUMDHVJKTQU-OAHLLOKOSA-N 311.341 2.903 0 40 DFAB C[C@@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CC(C)(C)O1 65504935 MUZLVTYQABSSSR-GFCCVEGCSA-N 317.364 2.651 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(Br)cc1F 65549350 PPTJXQQNBAGBPO-ZETCQYMHSA-N 305.147 2.745 0 40 DFAB Cc1cccc(-c2nnc(S[C@@H]3CCCCNC3=O)n2C)c1 14184661 BUYCGFNOVPWDDX-CYBMUJFWSA-N 316.430 2.551 0 40 DFAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC1CCCC1 5863515 GTJRHJPSSYHIAV-JTQLQIEISA-N 320.418 2.615 0 40 DFAB CCOCCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 69455598 WNSMWDUDOOQRMW-UHFFFAOYSA-N 310.781 2.832 0 40 DFAB CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 69485781 WRFSNLPCIALCII-CYBMUJFWSA-N 307.369 2.594 0 40 DFAB Cc1nnc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)s1 15517233 BSKAHJUWQAINJX-SECBINFHSA-N 309.778 2.690 0 40 DFAB CCNC(=O)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 9690381 PUJGJGHQSFGWAD-VIFPVBQESA-N 323.443 2.888 0 40 DFAB CCc1cc2c(NCCc3nncn3C3CC3)ncnc2s1 69974788 XSGNTVOWMXXMPI-UHFFFAOYSA-N 314.418 2.835 0 40 DFAB COc1ccccc1C(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1 8726141 UTBAANUPOXOZPT-UHFFFAOYSA-N 312.304 2.872 0 40 DFAB COc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 8715148 SXFOGYAKZSXIBF-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB Cc1ccc(-c2ccc(CNCCNCCO)o2)cc1Cl 19200339 DAXYTMMUCJKFEJ-UHFFFAOYSA-N 308.809 2.580 0 40 DFAB C/C(=C\C(=O)N[C@@H](C)C(=O)NC1CCCC1)c1ccccc1 96054746 QTAWWZRKJKDVEV-FNDVETGQSA-N 300.402 2.653 0 40 DFAB CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1OC 22075993 RBWINCUEIREDJN-INIZCTEOSA-N 301.386 2.917 0 40 DFAB Cc1cc(NC(=O)N2CCN(c3ccccc3O)CC2)sn1 84128919 CZGHNMJOKONWBY-UHFFFAOYSA-N 318.402 2.511 0 40 DFAB Cc1cc(C(=O)NCCc2nncn2C2CC2)c(C)n1C(C)C 71893454 CBXPCPVUMQJMEU-UHFFFAOYSA-N 315.421 2.585 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)n1 72235540 HWPYBEKGYJNXAD-KURKYZTESA-N 324.428 2.862 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)on1 97046810 LKUBZDKGWSXMIY-JTQLQIEISA-N 323.755 2.784 0 40 DFAB CCCNC(=O)[C@@H](C)Nc1ccn([C@@H](C)c2ccccc2)n1 89960159 SCNXBDQSXZKSMX-KGLIPLIRSA-N 300.406 2.819 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@H]2c2noc(C)n2)cc1 76043123 IOPKQFWTHNFSSW-AWEZNQCLSA-N 301.346 2.502 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)[C@H]1CCCN1Cc1ccccc1 84535965 URSNQHPRVPGLDS-QZTJIDSGSA-N 322.408 2.901 0 40 DFAB Cc1nnc([C@@H](C)Nc2ccc(F)c(N3CCCC3=O)c2)o1 95395895 BLOMRNXGBKCAEG-SECBINFHSA-N 304.325 2.817 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3ccc(C)cc32)C1 95423887 NVNHSSHJHOGOMM-GDBMZVCRSA-N 302.418 2.809 0 40 DFAB CCc1nc2c(s1)[C@H](N[C@H]1CCCN(C(=O)OC)C1)CCC2 95421603 BUTMEKLYDDMAQH-NWDGAFQWSA-N 323.462 2.903 0 40 DFAB CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc2ccccc2n1 95428211 KXHGHJIKMJDNFN-UHFFFAOYSA-N 320.458 2.880 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(F)c1 78725815 ZWQSRULGLWYMES-MRXNPFEDSA-N 312.344 2.751 0 40 DFAB CCc1noc(CC)c1CC(=O)Nc1cc(C(=O)O)ccc1F 95989566 ATQHTIPCDSNHIG-UHFFFAOYSA-N 320.320 2.818 0 40 DFAB O=C(N1CCC(n2ccnn2)CC1)C1(Cc2ccccc2)CCC1 95979303 PSKKLHSYXBAIDQ-UHFFFAOYSA-N 324.428 2.855 0 40 DFAB Cc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)c(C(=O)O)c1 35189329 HOWSNBARYKFDSN-UHFFFAOYSA-N 318.716 2.947 0 40 DFAB O=C(CCn1ccccc1=O)NC1(c2ccccc2)CCCC1 79103187 RMDMVISXDYJUOC-UHFFFAOYSA-N 310.397 2.824 0 40 DFAB Cn1cc(CC(=O)Nc2cccc3nonc23)c2ccccc21 72403735 DEMJKFVJUUQOLH-UHFFFAOYSA-N 306.325 2.896 0 40 DFAB COc1ccc(C)cc1NS(=O)(=O)CCOc1ccccc1 70637729 VZEZWFDDVGBQTG-UHFFFAOYSA-N 321.398 2.824 0 40 DFAB O=C(Nc1nnc(SCc2ccccn2)s1)NC1CC1 35590142 FDRAHCCTJXDDAI-UHFFFAOYSA-N 307.404 2.509 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C1 72239398 OBZCLDWFJDGYTI-WWGRRREGSA-N 320.458 2.916 0 40 DFAB COc1cccc(CCNC(=O)c2nnc(-c3ccccc3)o2)c1 35587865 BGIIGNFNTYZRQN-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 36839282 CSDJXGVAPZLFQH-IUODEOHRSA-N 314.385 2.649 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2cnn(C)c2C)cc(OC)c1C 36837922 HPGAUZZBCBSPEY-LLVKDONJSA-N 317.389 2.545 0 40 DFAB CCc1ccc(CC(=O)NCCOc2cccc(OC)c2)cc1 225153846 BKNMVLMCMHUARC-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB COc1ccc2c(c1NC(=O)N1[C@H]3CC[C@H]1CC(O)C3)CCC2 191341031 RJLUATXNBGNDPK-STQMWFEESA-N 316.401 2.704 0 40 DFAB COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCC(C)C)cc1 49466742 ZQBPRWDCLKIWKB-GDBMZVCRSA-N 305.374 2.716 0 40 DFAB CCc1nnc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 192136572 IWZAXAVWJKYZNO-WFASDCNBSA-N 309.316 2.530 0 40 DFAB CCc1noc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 46087619 WGSSLNIKGDKYBQ-UHFFFAOYSA-N 313.401 2.971 0 40 DFAB COc1ccc([C@@H](C)NCC(=O)N2CCC(C)CC2)c(OC)c1 195549608 DOAAPMGUWVYJQP-CQSZACIVSA-N 320.433 2.613 0 40 DFAB Cc1c(CO)c2cc(I)ccc2n1C 85397300 ACMHGBMBQQXCFO-UHFFFAOYSA-N 301.127 2.584 0 40 DFAB Oc1nncc(N2CCC(COc3ccccn3)CC2)c1Cl 85689547 LXLVEPNPLQJDAU-UHFFFAOYSA-N 320.780 2.526 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cccnc2)c2cccc(Cl)c2O1 191567404 WWUDNPMMRMMXDC-SNVBAGLBSA-N 324.789 2.711 0 40 DFAB CO[C@H](C(=O)Nc1cccnc1-n1ccnc1C)c1ccccc1 97236795 NSSUDGWDTSBFEM-INIZCTEOSA-N 322.368 2.902 0 40 DFAB CN(CC1CCC1)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 96436503 LKIUHENGQRBNQD-KBPBESRZSA-N 310.438 2.938 0 40 DFAB C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(Br)c(F)c1 96435442 YAFFAPPYEVUKIP-SFYZADRCSA-N 319.174 2.727 0 40 DFAB CCc1cc(N2CCC(NCc3cccs3)CC2)ncn1 96449356 KAJOQIMNGVXTQM-UHFFFAOYSA-N 302.447 2.859 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H]1CCOc2ccccc21 97372430 LXGBGNBQANCOQE-BXUZGUMPSA-N 313.401 2.813 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1)C2 96039364 VPIFUGJANIEFKU-HKUYNNGSSA-N 317.429 2.663 0 40 DFAB O=C(c1ccsc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91777189 ONXMNFGMGQASOP-RISCZKNCSA-N 309.337 2.974 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)C2 96201057 SQOACFRQAZKTTE-UHFFFAOYSA-N 316.424 2.878 0 40 DFAB CC(C)c1cc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)on1 96477710 LGTOOOOVPVTYMH-LBPRGKRZSA-N 312.377 2.625 0 40 DFAB C[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)O 237621155 NQLRNKFPZKFNQM-RKDXNWHRSA-N 303.280 2.788 0 40 DFAB CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC[S@](C)=O)CCC2 95447256 MGHCUZDJAXHCQI-OPAMFIHVSA-N 322.474 2.865 0 40 DFAB CC(C)(CNC(=O)Cc1cccc(O)c1)CC1CCOCC1 96476238 HMBAATFUXVWJCB-UHFFFAOYSA-N 305.418 2.894 0 40 DFAB c1ccc(O[C@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)nc1 96107348 PKGSHEHWWNQNAG-AEFFLSMTSA-N 314.385 2.877 0 40 DFAB CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2nc(C)nn2c1 580013964 PLAPBPQAZJXMRB-CHWSQXEVSA-N 319.434 2.833 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CN[C@H](C)CC(=O)N(C)C 97379771 NGDLAJGOEVARKP-HIFRSBDPSA-N 304.434 2.572 0 40 DFAB C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)N1CCOCC1 249207255 WLBWSIIYVDGWAJ-REWJHTLYSA-N 308.388 2.806 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)s1 257327931 XDKPMENKAAUQQW-ZDUSSCGKSA-N 303.431 2.803 0 40 DFAB Cc1nccc(CN2C[C@H]3CC[C@@H](Oc4cccnc4C)[C@H]3C2)n1 257313464 USPCCBWGQNDTIP-HHXXYDBFSA-N 324.428 2.778 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 257278151 OBAFKIKZZXEAMH-LBPRGKRZSA-N 314.389 2.605 0 40 DFAB CO[C@H](CNS(=O)(=O)C1CCCCC1)c1ccc(C)s1 96104784 OLXFGSZXSLOZAB-CYBMUJFWSA-N 317.476 2.996 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)Cc2cnc3ccccc3c2)cc1 97165168 HWRLRMDRTIPFMU-LJQANCHMSA-N 320.392 2.936 0 40 DFAB CN(CCCC(=O)O)c1ccc(I)cc1 224990434 IDDLQXPSMDZIJZ-UHFFFAOYSA-N 319.142 2.592 0 40 DFAB C[C@]1(C(=O)Oc2ccc(C=O)cc2)Cc2ccccc2C(=O)O1 5235385 FPBNZZMKAAVQQO-GOSISDBHSA-N 310.305 2.576 0 40 DFAB Cc1nsc(N2CCN(c3nsc4ccccc34)CC2)n1 1888897939 BBQBTEVZDCZYSJ-UHFFFAOYSA-N 317.443 2.783 0 40 DFAB O=S(=O)(Nc1ccnn1C1CCCC1)c1ccc(F)cc1 28249198 HRLHOQBTEAYSFD-UHFFFAOYSA-N 309.366 2.938 0 40 DFAB CN1CCN(C(=O)c2cc(Cl)c[nH]2)[C@@H](c2ccccc2)C1 30030262 CGLSWRDMUAURJL-OAHLLOKOSA-N 303.793 2.797 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(C)c1Br 28576357 VYBGPKKVDVITJE-SECBINFHSA-N 314.227 2.521 0 40 DFAB Cn1ccc2cc(C[C@H]3COCCN(Cc4cnc[nH]4)C3)ccc21 2037658288 HHJWHNXELCCYQV-MRXNPFEDSA-N 324.428 2.593 0 40 DFAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CC2CC2)C1 2037915955 DSYQANPWFSSBIC-SFHVURJKSA-N 303.402 2.873 0 40 DFAB CCNC(=O)c1csc(NC(=O)c2ccccc2SC)n1 8874408 QIFHYNHOKJOFRM-UHFFFAOYSA-N 321.427 2.867 0 40 DFAB Cc1ccccc1C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924497 CMHILJYZKSNBNB-HNNXBMFYSA-N 308.381 2.778 0 40 DFAB Cc1cc(C)nc(Nc2nc3c4ccccc4nc(S)n3n2)n1 12390525 IQHBKDSXHKYFLD-UHFFFAOYSA-N 323.385 2.717 0 40 DFAB CCNc1nc2c(s1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 15110125 GXBOCYDTCSDFAR-SECBINFHSA-N 317.370 2.778 0 40 DFAB CC(C)[C@@H](Cn1ccnn1)NC(=O)Cc1cccc2ccccc12 575616362 LWOSIKBXAHOQEP-GOSISDBHSA-N 322.412 2.815 0 40 DFAB CC(C)(C)c1cnc(CN2CCNC(=O)[C@H]2c2cccs2)o1 72798952 VORQPBLIZAOQDL-CQSZACIVSA-N 319.430 2.707 0 40 DFAB COc1ccc(C(=O)NCCOc2ccc(C)cc2)c(OC)c1 8237913 JXBHHOAJCROAPE-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB CCN(Cc1ccco1)C(=O)NCc1ccc2c(c1)OCO2 31099972 UXYFBODTRXZXOI-UHFFFAOYSA-N 302.330 2.740 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2n1CCC2 40522708 NCWULXMPFDIXAA-MRVPVSSYSA-N 308.744 2.508 0 40 DFAB COc1ncccc1CNC(=O)c1sc(C(C)C)nc1C 40525062 MUYRTLDBZVUFIA-UHFFFAOYSA-N 305.403 2.909 0 40 DFAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H](C)c4ccccc43)nc2n1 31784712 YEQWKZXOWGNDPZ-LLVKDONJSA-N 321.384 2.895 0 40 DFAB CN1CCC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 1693015 SEWHBJAHHOCKER-PKOBYXMFSA-N 317.429 2.702 0 40 DFAB in-vitro CC[C@@H](c1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 2042533 YMGLUMUKUXPCHU-AWEZNQCLSA-N 301.367 2.982 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1 3510799 IOHQUIRFVUUIFP-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2ccccc2O)[C@H]1c1ccccc1 20731920 INBPXSDPSAWIJI-RDTXWAMCSA-N 324.380 2.940 0 40 DFAB CCCN1CCc2c(sc3nc4n(c(=O)c23)CCCCC4)C1 20827267 XCIBAYHXRMMVMP-UHFFFAOYSA-N 317.458 2.953 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)c(C)c1 6679919 IGGKNOJVEPSLJY-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 385430 DZKVYGNKVMZWED-UHFFFAOYSA-N 310.309 2.796 0 40 DFAB Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 89721110 BVPUKMSYIJLFPA-WBMJQRKESA-N 314.389 2.713 0 40 DFAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 8132784 LDDQOJOMHWLGPI-QAPCUYQASA-N 324.424 2.942 0 40 DFAB O=C(COc1cccc2ccccc12)NCCc1cccnc1 32753563 DWDWWPTXLJYSRN-UHFFFAOYSA-N 306.365 2.973 0 40 DFAB CCc1nn2c(O)cc(COC)nc2c1-c1ccc(F)cc1 100163399 PBTAOOQMESHUPZ-UHFFFAOYSA-N 301.321 2.950 0 40 DFAB Cc1ccnn1-c1ccc(C(=O)NCCCOCC2CC2)cc1 32750773 BDOIDSXEWLRBAS-UHFFFAOYSA-N 313.401 2.727 0 40 DFAB CCN1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc(C)cc1 102438448 PHHSNFMWCLUIRW-WBVHZDCISA-N 303.450 2.786 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9834482 PGANJSADGHXMNG-UHFFFAOYSA-N 323.396 2.897 0 40 DFAB CN(C)CCOC(=O)[C@H]1CC2=C(C[C@H]1C(=O)O)C(C)(C)CCC2 517953 PKMWXNTYYZTJQQ-KGLIPLIRSA-N 323.433 2.709 0 40 DFAB biogenic COc1ccc(C(=O)Nc2nnc(-c3cccnc3)s2)cc1 795764 LSSXPVURPZUPCB-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(C3CCC3)s2)cc1 61719631 HTDGPPGUNZOTCJ-UHFFFAOYSA-N 303.387 2.995 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 23640194 QZKVNTGWCYSYOL-CQSZACIVSA-N 323.190 2.670 0 40 DFAB COC(=O)c1ccc(CCNC(=O)c2ccc(F)cc2F)cc1 25077152 AHBSTRVOPZQMEW-UHFFFAOYSA-N 319.307 2.724 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1F 1430052 QRQAXGBJVLKMLO-UHFFFAOYSA-N 305.334 2.811 0 40 DFAB Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)on1 26383799 SOQZXHUPHQVUFO-MRXNPFEDSA-N 316.357 2.881 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@H](C)CCC(C)C 44180131 RHZZWJXAUFERRM-CYBMUJFWSA-N 305.422 2.921 0 40 DFAB CN(CCCNC(=O)NCc1cccnc1)c1ccccc1F 57248879 PJQJNEWSKLOSAY-UHFFFAOYSA-N 316.380 2.546 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1n[nH]c2ccccc12 35496864 FQVOZPWHDCDHND-UHFFFAOYSA-N 323.352 2.606 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(F)c(C)c2)c1C 10030976 WOOHDHAOHNEFMC-UHFFFAOYSA-N 318.348 2.796 0 40 DFAB Cc1cc(C)cc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 12685296 COPOYTWBTLEPGP-UHFFFAOYSA-N 314.360 2.965 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)Nc2nncs2)cc1 44935440 GBOZCBYJPXWWHL-LBPRGKRZSA-N 304.375 2.916 0 40 DFAB C[C@H](OCC1CC1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 58342269 DGQBGRSYRQXNLT-AFAVFJNCSA-N 321.392 2.977 0 40 DFAB COc1cccc(COCC(=O)N[C@H](C)c2ccc(C)o2)c1 36396244 PBZBFHZZPHAZNB-CYBMUJFWSA-N 303.358 2.991 0 40 DFAB NC(=O)c1cc(-c2csc(Nc3cccnc3)n2)ccc1O 62581220 RSCYUFIGFLFULQ-UHFFFAOYSA-N 312.354 2.753 0 40 DFAB Cc1cc(C[S@@](=O)Cc2nc(-c3ccccc3C)no2)no1 64811417 ZIJTVKPYCLBDQV-QFIPXVFZSA-N 317.370 2.790 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc3[nH]cnc3c2)c1 69706223 YAOFKKDDSPEVRM-HNNXBMFYSA-N 323.400 2.763 0 40 DFAB CCn1nnnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 14139886 LOJIOZCVERUZAL-JTQLQIEISA-N 316.390 2.905 0 40 DFAB COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 6540934 PZGYWZZLJKEXBV-CYBMUJFWSA-N 322.368 2.767 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3ncccc3O)n[nH]2)s1 69843800 SVPILXHBRJHGSL-UHFFFAOYSA-N 300.343 2.800 0 40 DFAB C[C@H](NC(=O)CCC(=O)NCc1ccco1)c1ccccc1 4700635 DERIGIYCFKMPTA-ZDUSSCGKSA-N 300.358 2.553 0 40 DFAB COc1cccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c1 4746152 LGXCXDNCBRGOMX-KRWDZBQOSA-N 316.445 2.920 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)NCc1ccc2c(c1)OCO2 4835326 FKQINYKCDOVBIX-NSHDSACASA-N 316.382 2.607 0 40 DFAB Cn1cnnc1CCNC(=O)c1sccc1-c1ccccc1 69974675 INXPFEYELSTJQN-UHFFFAOYSA-N 312.398 2.516 0 40 DFAB CS(=O)(=O)c1ccc(Oc2cccc(C(=O)O)c2)c(F)c1 15443651 XIWWPAYQKYCESV-UHFFFAOYSA-N 310.302 2.720 0 40 DFAB Cc1ccc(-c2cc(=O)c3c(=O)n(-c4ccccc4)[nH]c3[nH]2)cc1 18222288 OCTXUIIOWBYVBX-UHFFFAOYSA-N 317.348 2.983 0 40 DFAB O=C(NCCNc1cc(=O)oc2ccccc12)c1cccs1 8992566 WWVYBMBCLPBFGN-UHFFFAOYSA-N 314.366 2.696 0 40 DFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)C1[C@@H]2CCC[C@@H]12 110662775 COXJSROLWFFOKN-UPJWGTAASA-N 313.319 2.901 0 40 DFAB O=C(CCSc1ccccc1F)NC[C@H](O)c1ccncc1 89814073 GGFGWWQYKGSMDG-AWEZNQCLSA-N 320.389 2.553 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nnc(C2CC2)s1 9315696 UMVKHGSEIPUGEN-PELKAZGASA-N 317.370 2.583 0 40 DFAB COC(=O)[C@@]1(F)CCN(Cc2ccc(OC(F)F)c(F)c2)C1 93887291 MPPDJYFEPXDFRO-CQSZACIVSA-N 321.270 2.514 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)cn1 71799333 HAWBUELDKVJBRM-ZDUSSCGKSA-N 315.402 2.869 0 40 DFAB CCCC(C)(C)NC(=O)CCc1nncn1-c1ccccc1 96430791 LOQFKQUMLRSGMU-UHFFFAOYSA-N 300.406 2.895 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc2[nH]nnc2c1 71883553 WVECGFSLVDARTK-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2nccs2)n1 71870238 AFQAQNLZTGVTSS-CQSZACIVSA-N 318.446 2.580 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnsc1Cl 71876665 QXNGVFICRMPROE-NSHDSACASA-N 311.842 2.879 0 40 DFAB Cc1ccoc1-c1nnc(CN[C@@H](C)[C@@H](C)n2cccn2)o1 72269757 KQSBGVQHWVGCED-NWDGAFQWSA-N 301.350 2.574 0 40 DFAB CC[C@](C)(NC(=O)[C@@H]1Cc2ccccc2O1)c1nccs1 72292242 SFYASORBGWGNST-BBRMVZONSA-N 302.399 2.888 0 40 DFAB CC1(C)[C@@H](OC(=O)c2ccc(-n3ccnc3)cc2)[C@@H]2CCO[C@H]21 97034322 FQOCGKCEYOAICD-OAGGEKHMSA-N 312.369 2.843 0 40 DFAB CC1(CCNC(=O)N[C@H]2CCc3c(Cl)cccc32)OCCO1 97115778 HSHVKORCJPBTFL-AWEZNQCLSA-N 324.808 2.780 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)C1(c2cccc(F)c2)CCC1 97197495 XRFGOMBQVIQKGL-HNNXBMFYSA-N 313.376 2.575 0 40 DFAB COc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 76249380 OUQHGCFNARCIHX-GDBMZVCRSA-N 321.442 2.822 0 40 DFAB Cc1cnc(CCN(C)C(=O)C(C)(C)c2cccnc2)s1 95465262 MIGMYJIOTHIFKR-UHFFFAOYSA-N 303.431 2.825 0 40 DFAB CSc1ccc([C@@H](C)NS(=O)(=O)Cc2ccon2)cc1 95402858 WTZDVNGMZDEQJP-SNVBAGLBSA-N 312.416 2.577 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 178627992 LDSQBFIIEHSQKS-GNFNDJEDSA-N 315.417 2.873 0 40 DFAB CC(C)CSCCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 95446974 OLEKZIMHEXFLAG-INIZCTEOSA-N 324.421 2.982 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N[C@@H](CO)c2ccccc2)C1 84811837 LOAMOMANUDJZJM-ZNMIVQPWSA-N 308.447 2.693 0 40 DFAB O=C1N[C@@H](C(=O)N[C@H](c2cc3ccccc3o2)C2CC2)CS1 73566628 JLJJIBZAYGQOKI-RISCZKNCSA-N 316.382 2.825 0 40 DFAB CCOc1ccccc1OCC(=O)NCc1cc(C(C)C)no1 78725749 ABJRMCUFHIETPP-UHFFFAOYSA-N 318.373 2.892 0 40 DFAB O=C(NCC1C2CC3CC(C2)CC1C3)c1ncncc1Cl 95979052 BOAQCJVONALVBB-UHFFFAOYSA-N 305.809 2.932 0 40 DFAB COc1cc(NC2CCN(CC(F)F)CC2)cc(OC)c1 85868977 BPPQKIROVUUIOR-UHFFFAOYSA-N 300.349 2.845 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)OC(=O)[C@@H]1CCCN(C(N)=O)C1 78949065 CNVWOWFJBBCXDX-HZPDHXFCSA-N 318.417 2.650 0 40 DFAB O=C(NCCn1ccnc1)N[C@H](c1ccc(F)cc1)C1CCC1 75128070 CMRYZVDYKVJJAL-INIZCTEOSA-N 316.380 2.863 0 40 DFAB Fc1ccc(CN2CCC(n3cnc4nccnc43)CC2)cc1 306124012 BDBHAKSULXNWMF-UHFFFAOYSA-N 311.364 2.803 0 40 DFAB Cc1occc1-c1nnc(SC[C@H]2CCCN(C)C2=O)o1 553456027 FMJWDJHODPEWFX-SNVBAGLBSA-N 307.375 2.599 0 40 DFAB COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1N 34688065 ZOHNVLFXBCDQFR-MRXNPFEDSA-N 304.777 2.774 0 40 DFAB Cc1ccsc1CN(C)CCN1C(=O)c2ccccc2C1=O 32751509 IKILLDXYYRNPBF-UHFFFAOYSA-N 314.410 2.785 0 40 DFAB CCCCN1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 72216306 NEDLFJVZSIFYRZ-QGZVFWFLSA-N 302.466 2.818 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@H](c2cccs2)N1 217660380 XMMRDVWAEOSRGS-BQPHKTIFSA-N 300.383 2.814 0 40 DFAB CC[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(Cl)cc1 79052353 YUUISNOMMWOBMC-LBPRGKRZSA-N 317.780 2.873 0 40 DFAB COC(=O)COc1ccc(Br)cc1Br 31847367 ZXXNVQIXNXGYRK-UHFFFAOYSA-N 323.968 2.763 0 40 DFAB C[C@H](CN1CCC(N2CCNC2=O)CC1)c1cccc(Cl)c1 189505383 RZRPLJTTWYBWJH-CYBMUJFWSA-N 321.852 2.933 0 40 DFAB Cc1snnc1-c1nn2c(-c3cccc(F)c3)nnc2s1 66087722 QORIGGIARQLNKA-UHFFFAOYSA-N 318.362 2.819 0 40 DFAB COC(=O)[C@@H]1CN(Cc2ncc(C(C)C)o2)c2ccccc2O1 79097311 NSCHPMOQAXJHAR-HNNXBMFYSA-N 316.357 2.739 0 40 DFAB OCCCNc1nc(N2CCCCCC2)c2ccccc2n1 41149485 UGWKNBCCILAPML-UHFFFAOYSA-N 300.406 2.805 0 40 DFAB Cc1nc(CN(C2CC2)S(=O)(=O)c2cccnc2)sc1C 88510751 JDUPQFBBSLCNOS-UHFFFAOYSA-N 323.443 2.508 0 40 DFAB COCC1(NC(=O)Nc2cc(-n3cccn3)ccc2C)CCC1 225482564 GHKJYSNXUBNNJU-UHFFFAOYSA-N 314.389 2.871 0 40 DFAB CN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2 96229695 XNYXZNLOVSNIBR-QGZVFWFLSA-N 320.820 2.957 0 40 DFAB CC(C)c1ocnc1COc1ccc(N(C)S(C)(=O)=O)cc1 92312173 UMIDIEMWRRGRFP-UHFFFAOYSA-N 324.402 2.773 0 40 DFAB CCn1nc(C)cc1C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 96425523 IJXZZJJTIXJONO-LLVKDONJSA-N 303.337 2.778 0 40 DFAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc2[nH]cnc2n1 97374431 JAMDOLGLXRNWCX-NSHDSACASA-N 310.357 2.800 0 40 DFAB O=C(c1ccccc1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238365 CFDSZCFDLFDAIV-FQEVSTJZSA-N 320.392 2.956 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(C(=O)/C=C/c1cccs1)C2 96039213 SFBFXFDNYUCRPN-QRBHQTINSA-N 321.442 2.805 0 40 DFAB COCCN1CCCC[C@]12CC(=O)N(c1ccc(C)cc1)C2 96071660 QNBOISRDTWKLIH-GOSISDBHSA-N 302.418 2.603 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc4cc[nH]c4c3)cnc2s1 95474805 UGSREPQBUFOBNC-UHFFFAOYSA-N 324.365 2.798 0 40 DFAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4cncnc4)C[C@@H]3C2)cc1 257208219 BLERBFPQQIUFQV-BWTSREIZSA-N 309.413 2.904 0 40 DFAB Cc1nc([C@H]2CCCCN2)nc2c1CCCN2Cc1ccccn1 257305016 SOCLFCPWNYXMDJ-QGZVFWFLSA-N 323.444 2.947 0 40 DFAB CCn1cc(C(=O)N2CCC(C)(c3nccs3)CC2)c(C)n1 257343186 ZRVKJFJQPARUEA-UHFFFAOYSA-N 318.446 2.862 0 40 DFAB Cc1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)ncn1 257290114 QBQHTHORYFZKEA-LJQANCHMSA-N 324.428 2.708 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2ncccc2F)nc(C)n1 257236436 HCESLXUGNYFJFJ-HNNXBMFYSA-N 301.369 2.698 0 40 DFAB CC1(C)COc2c(C(=O)N[C@H]3CCC[C@H](CO)C3)cccc21 298543313 YDMRQTWDPISSEP-STQMWFEESA-N 303.402 2.638 0 40 DFAB CSc1ccc([C@@H](O)CNC(=O)/C=C/c2ccoc2)cc1 96103177 QFBLZHQTLSRFMM-HYNJPGQWSA-N 303.383 2.865 0 40 DFAB Cc1cc(CCNC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)on1 585089059 IGASFZOYNNOSBM-OAHLLOKOSA-N 303.406 2.912 0 40 DFAB Cc1c(C(=O)Nc2nc3cc(F)c(F)cc3s2)cnn1C 69512251 FZTSWOLCRHWOQZ-UHFFFAOYSA-N 308.313 2.869 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@H](C)c2c(F)cccc2F)[nH]n1 97237357 HMLDWYQKIUDKMV-MRVPVSSYSA-N 323.299 2.607 0 40 DFAB CCOC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1CC 84496558 PYUQBZFGGFEAGQ-WMLDXEAASA-N 317.433 2.591 0 40 DFAB Brc1ccc(NCCCOC[C@H]2CCCO2)nc1 84425386 DUFAXCVUMQDTSV-GFCCVEGCSA-N 315.211 2.842 0 40 DFAB FC(F)(F)CN1CCN(c2nsc3ccccc23)CC1 1201996984 QPLOQFSKYUOUKO-UHFFFAOYSA-N 301.337 2.981 0 40 DFAB O=C(O)c1cc(-c2ccc(I)cc2)on1 236467326 NXFRCFBOAXDXMQ-UHFFFAOYSA-N 315.066 2.644 0 40 DFAB COC(=O)c1ccc2c(c1)CN(c1ccc(F)cc1)C(=O)CO2 13362927 BIWMUSNCBIMXDE-UHFFFAOYSA-N 315.300 2.538 0 40 DFAB COC(=O)/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O 18043470 ZUZCOSNGHOZIBO-UITAMQMPSA-N 303.261 2.807 0 40 DFAB CCn1ncc(CN(CCN(C)C)Cc2cccs2)c1C 19523909 ZJVRLXMMAKMBHK-UHFFFAOYSA-N 306.479 2.837 0 40 DFAB COC(=O)c1c(C)nc2cc[nH]c(=O)c2c1-c1ccc(OC)cc1 19819254 GECGEWBXYQMANF-UHFFFAOYSA-N 324.336 2.694 0 40 DFAB Cc1cncc(N2CCN(c3nsc4ccccc34)CC2)n1 1888901003 CHMYGVAAYQCLQP-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c(F)c1 21273093 KRLOTZJLHJXVQY-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)o1 25078709 NTMXPCBAVNESIX-ZDUSSCGKSA-N 310.357 2.862 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1(C)C 25517272 FUAFZFMOZYNAOY-CVEARBPZSA-N 314.429 2.771 0 40 DFAB C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccncc1 31207039 ZSDHUFQBPBANBZ-LLVKDONJSA-N 302.378 2.572 0 40 DFAB CCOc1cc(CNC[C@]2(O)CCOC(C)(C)C2)ccc1OC 2111655 JKVULIFEVYXDTC-SFHVURJKSA-N 323.433 2.504 0 40 DFAB biogenic COc1ccc(S(=O)(=O)N[C@@H](C)CCC(C)C)cc1F 30289443 DHWFKYDCSPOPRF-NSHDSACASA-N 303.399 2.937 0 40 DFAB CC1(C)CC(=O)c2cnc(N[C@@H]3OC(=O)c4ccccc43)nc2C1 106045 XHPXPXILPKKVCK-OAHLLOKOSA-N 323.352 2.913 0 40 DFAB biogenic COc1ccc(NC(=O)C[C@@]2(C(=O)O)C[C@H]3C=C[C@H]2C3)cc1 100795624 JFWMNGFSKUTFFU-PRXAMGSTSA-N 301.342 2.691 0 40 DFAB biogenic O=C(Nc1cc(N2CCOC2=O)ccc1F)[C@H]1C[C@H]2C=C[C@H]1C2 100793739 KJBQCFCBWRMDKM-GVXVVHGQSA-N 316.332 2.933 0 40 DFAB COC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C 411933 IXLAQKVWTLDRBR-UHFFFAOYSA-N 307.371 2.826 0 40 DFAB COc1cc(NC(=O)c2cnc3ccccc3n2)cc(OC)c1 428043 GOMGYZVIXIHSGN-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB Cc1cc(NC(=O)NC[C@H](C)N2CCc3ccccc32)no1 31664672 GTKRWIRHWRVJIC-NSHDSACASA-N 300.362 2.556 0 40 DFAB FC(F)(F)c1cccnc1N1CCN(c2nccs2)CC1 69348484 SKPPXUMXRIGXSS-UHFFFAOYSA-N 314.336 2.884 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2CCn2cccn2)c1 40556364 NDGYNCSYFYLDRM-INIZCTEOSA-N 301.390 2.737 0 40 DFAB Cc1sc2ncnc(OCC(=O)N[C@@H](C)C(C)C)c2c1C 3422011 KZUWUYSBXLOFMX-JTQLQIEISA-N 307.419 2.848 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1 3435692 IXCXXFHJPJQSHN-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB CCOc1cccc(CNCCO)c1OCc1ccccc1 4670726 MRHXEKFWVYNXFV-UHFFFAOYSA-N 301.386 2.746 0 40 DFAB COc1ccc(-c2noc(CCCC(=O)NCC(C)C)n2)cc1 6811720 SUZYDVGSJHNDIL-UHFFFAOYSA-N 317.389 2.840 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)Nc1nnc(C2CC2)s1 21292724 BEUBIBIOJWTLBA-UHFFFAOYSA-N 313.386 2.863 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102714305 XDKQZASWFPKWLP-MDRZDLKXSA-N 321.442 2.992 0 40 DFAB CCOC(=O)/C=C(/CC(=O)OCC)Nc1ccc(OC)cc1 104129843 ZKRXWPBXPJTVSN-RAXLEYEMSA-N 307.346 2.507 0 40 DFAB C[C@H](c1nc(-c2cccnc2)no1)N1CCC(n2ccnc2)CC1 71904332 JBHONFBSILCYPT-CYBMUJFWSA-N 324.388 2.726 0 40 DFAB Cc1csc(CCNC(=O)C2(c3ccc(F)cc3)CC2)n1 41509055 VFNZTDXDTCRJRR-UHFFFAOYSA-N 304.390 2.981 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)COc3ccccc3)ccc21 12133125 HSFPGZKPGYMBOW-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB O=C1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2N1 12237438 ZFABGXMDODWAOO-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc2ncsc2c1 46995069 USMMKZMZFFRFAK-TZMCWYRMSA-N 301.415 2.653 0 40 DFAB CC(C)(C)OC(=O)N1CCC(C(=O)NC(C2CC2)C2CC2)CC1 22885902 DJAFBHSQHMVPFJ-UHFFFAOYSA-N 322.449 2.938 0 40 DFAB Cc1cscc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 94246529 RXXNAUYEICSVSO-LLVKDONJSA-N 307.293 2.536 0 40 DFAB O=S(=O)(N1CCCCCC1)N1CCC[C@H]1c1ccccc1 23437193 WMMMPNRREHXARO-INIZCTEOSA-N 308.447 2.944 0 40 DFAB C[C@H]1CCN(C(=O)Cn2ccsc2=N)c2ccccc2S1 8315142 RBTGUDLWJFTEPL-NSHDSACASA-N 319.455 2.947 0 40 DFAB CC(C)C(=O)Nc1cccc(CNc2cn[nH]c(=O)c2Cl)c1 24211624 SSYDSMPMUKJEPF-UHFFFAOYSA-N 320.780 2.630 0 40 DFAB COc1ccc(CCC(=O)Nc2nc(C(C)=O)cs2)cc1 25256359 FMKUYSXJESVKQB-UHFFFAOYSA-N 304.371 2.926 0 40 DFAB CCOc1ncccc1CNC(=O)NCc1sccc1C 26176003 LDKIOZNZNFUCLU-UHFFFAOYSA-N 305.403 2.850 0 40 DFAB C[C@H](CCC1CCCCC1)OC(=O)[C@@H]1CCS(=O)(=O)C1 69598950 ZIFPZFMZRUBMJN-TZMCWYRMSA-N 302.436 2.713 0 40 DFAB CC(C)(C)c1cc(NC(=O)COCCOc2ccccc2)[nH]n1 58150266 MTFYQGRUTYVBQM-UHFFFAOYSA-N 317.389 2.741 0 40 DFAB CN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CCCC1 44890222 DEZWCNRKMAEHGZ-UHFFFAOYSA-N 315.822 2.758 0 40 DFAB O=C(c1ccsc1)N1CCn2c(-c3cccnc3)cnc2C1 306134327 NJEBKCMJIPQUPB-UHFFFAOYSA-N 310.382 2.663 0 40 DFAB c1cnc(-c2nc(CN3CCOc4ccccc43)cs2)nc1 44975429 UGKZTFABXYDILR-UHFFFAOYSA-N 310.382 2.999 0 40 DFAB C[C@H](OC[C@H](O)CNC(=O)c1ccc(F)cc1)c1ccccc1 58306311 HZOYQYUMJLVSEG-SUMWQHHRSA-N 317.360 2.694 0 40 DFAB C[C@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC1CCCC1 12911289 INJWXSFAVNCMTF-ZDUSSCGKSA-N 317.385 2.640 0 40 DFAB CCc1ccc(-c2n[nH]c(SCC(=O)N(CC)CC)n2)cc1 3551231 HNMVKDJWWMMRPR-UHFFFAOYSA-N 318.446 2.995 0 40 DFAB Cc1cnn(C2CN([C@H](C)c3nc(-c4ccccc4)no3)C2)c1 69616539 SMNXDMIAKDMPMD-CYBMUJFWSA-N 309.373 2.859 0 40 DFAB O=C(NCCc1nc2c(s1)CCCC2)Nc1ccncc1 69698913 OFULPFCHVIDRTP-UHFFFAOYSA-N 302.403 2.781 0 40 DFAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 4150756 GNYNHSAEVPAYHT-AWEZNQCLSA-N 317.389 2.729 0 40 DFAB O=C(OCC(=O)N1CCCCCC1)c1ccc2ccccc2n1 5079803 UZULJXVZHXQJKN-UHFFFAOYSA-N 312.369 2.794 0 40 DFAB COc1ncccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 64819507 GTMCUSKYHVADNX-CQSZACIVSA-N 316.332 2.873 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(Br)cc1 65562173 USRVIAQUOOZUDI-UHFFFAOYSA-N 301.184 2.685 0 40 DFAB CCC[C@@](C)(NC(=O)c1ccc(OC)c(COCC)c1)C(=O)O 89949438 XUWFIAPZOSUZPR-QGZVFWFLSA-N 323.389 2.605 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2F)c(=O)[nH]1 14190491 WVUQMOJYJIHFHK-UHFFFAOYSA-N 323.755 2.751 0 40 DFAB CS(=O)(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 14235069 TVVFZKBRZYQCOW-UHFFFAOYSA-N 320.201 2.610 0 40 DFAB CCOCc1nnc(NC(=O)CCc2ccc(OC)cc2)s1 4732329 JHAABMLZOFJRQB-UHFFFAOYSA-N 321.402 2.655 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N2CCc3ccccc3C2)c1 6787987 CGIWKYNKGCLHAM-UHFFFAOYSA-N 322.408 2.700 0 40 DFAB Cn1cccc1C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 66770820 OUKQSZGNCDNKHG-AWEZNQCLSA-N 312.369 2.774 0 40 DFAB COc1ccc(CC(=O)NCc2ccccc2CN(C)C)cc1 6992464 SPIPFNKQASWIFG-UHFFFAOYSA-N 312.413 2.616 0 40 DFAB CS(=O)(=O)Nc1cccc(C(=O)OCc2cccc(F)c2)c1 15279092 YMGLSWJRUBQFAG-UHFFFAOYSA-N 323.345 2.554 0 40 DFAB O=C(OCc1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12 7123538 SJELLNBJTYOZLI-UHFFFAOYSA-N 314.728 2.934 0 40 DFAB CCn1cncc1CNc1ncnc2sc(C(=O)O)c(C)c12 67489769 WZTJODWIBYUPTE-UHFFFAOYSA-N 317.374 2.526 0 40 DFAB CC[S@](=O)c1ccccc1C(=O)NCc1ccccc1OC 7779672 NYELBRQPNSYXOP-JOCHJYFZSA-N 317.410 2.753 0 40 DFAB Cc1cccc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)c1O 7701193 ILQZQGWIJKAOCX-CYBMUJFWSA-N 319.401 2.942 0 40 DFAB Nc1nc(NCc2ccc(F)c(Cl)c2)cc(-n2cccn2)n1 92893981 YOXCLWRBYPNHDT-UHFFFAOYSA-N 318.743 2.649 0 40 DFAB CNC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccncc2)cc1F 93898735 SBDVVJGPOCXUCB-CYBMUJFWSA-N 315.392 2.702 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc[nH]1 71818721 LKWZFCALNATUKO-HNNXBMFYSA-N 312.369 2.692 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnc(C)s2)c1 71866115 DXLNSUVSEQAXOG-ZDUSSCGKSA-N 304.419 2.651 0 40 DFAB O=C(NCc1cc[nH]n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 71849996 FZYWBVQSSVLLTJ-OLZOCXBDSA-N 320.190 2.592 0 40 DFAB O=S(=O)(Cc1ccccc1Oc1ccccc1)c1cn[nH]n1 97020423 HSEUCTZISWHYGU-UHFFFAOYSA-N 315.354 2.571 0 40 DFAB CC(C)c1ccc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)s1 97138835 KQTSGGIZSDLHDA-WDEREUQCSA-N 316.444 2.994 0 40 DFAB COC(=O)[C@H]1CCCN(C(=O)NC[C@H](C)Cc2cccs2)C1 84640885 FQOMGGFDDIMBTK-OLZOCXBDSA-N 324.446 2.521 0 40 DFAB CC[C@@H](C(=O)Nc1ccc(OC)cc1Cl)N1CCCC1=O 84718765 FPIRMMZPCPPQKS-ZDUSSCGKSA-N 310.781 2.688 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 95413484 HDBDZBJWALLPBT-KWBADKCTSA-N 321.377 2.757 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@@]1(C)CCCS1 95437705 KFXCPTFGIYZNHI-MRXNPFEDSA-N 324.494 2.630 0 40 DFAB Cc1nc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)o1 95418778 JAISIDRTCSDMLH-UHFFFAOYSA-N 310.357 2.954 0 40 DFAB COCCOc1cccc(NC(=O)NCC(C)(C)CCCO)c1 95459129 NOBIKLJLXJHYRO-UHFFFAOYSA-N 324.421 2.632 0 40 DFAB CCc1cc(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)on1 95400951 KYAWZFJAJJDIII-OAHLLOKOSA-N 315.373 2.787 0 40 DFAB CCc1nc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)cs1 95408377 QQVBGGYSALDZQY-AWEZNQCLSA-N 305.447 2.859 0 40 DFAB Nc1nccnc1C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 95413739 TZYXHCYCAOAWRB-KBXCAEBGSA-N 308.385 2.600 0 40 DFAB CC(C)(C)c1nc(CC(=O)N(CCC(=O)O)CC2CC2)cs1 95969870 AEEOPYCVZSELET-UHFFFAOYSA-N 324.446 2.696 0 40 DFAB Cc1cc(C(=O)N2CCC(OCCCN(C)C)CC2)ccc1F 75093949 HRBPBKMPDPGBLB-UHFFFAOYSA-N 322.424 2.707 0 40 DFAB CCCOCc1c(I)cnn1C(C)C 408716000 HTYGUGBBNNSVKI-UHFFFAOYSA-N 308.163 2.995 0 40 DFAB Cc1ccc(NC(=O)c2cnccn2)cc1N1CCCCC1=O 38677670 YNUMEVGYGOZYHD-UHFFFAOYSA-N 310.357 2.554 0 40 DFAB OC1(c2ccc(C(F)(F)F)cc2)CCN(c2cnccn2)CC1 72368870 SYHXRCHYELOORA-UHFFFAOYSA-N 323.318 2.983 0 40 DFAB CCOc1ccc(C(=O)C[C@H](C(=O)O)N2CCCCC2)cc1 5196923 JZAIFTBWIGRYMF-OAHLLOKOSA-N 305.374 2.597 0 40 DFAB CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(OCCOC)CC2)C1 77610810 AYOFDSDRUYIFRQ-HUUCEWRRSA-N 312.454 2.792 0 40 DFAB NC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761004 PHTVDOXVVAHPBU-UHFFFAOYSA-N 307.325 2.873 0 40 DFAB COc1ccccc1C1(NC(=O)Cc2nonc2C)CCCC1 72346501 UJHHKUKGCGDTBB-UHFFFAOYSA-N 315.373 2.515 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ncc(F)cn2)C1 72203364 WXNOEBWCSCZDKY-NSHDSACASA-N 310.373 2.675 0 40 DFAB CC(C)C[C@H](C)OC(=O)C1CCN(C(=O)c2ccccn2)CC1 76879798 XYIIXVPMOVSCGC-AWEZNQCLSA-N 318.417 2.912 0 40 DFAB Cc1cc(N2C[C@@H](C(=O)O)CC2=O)c(C)cc1Br 45952782 HCUPFTZDZHSUJW-VIFPVBQESA-N 312.163 2.503 0 40 DFAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)C1CCCCC1 224350572 BBMZHXBTSDTDKH-UHFFFAOYSA-N 317.437 2.662 0 40 DFAB C[C@]1(C(=O)N2CCCCCC2)Sc2ccccc2NC1=O 40773890 NCVKAVKTOWNEID-INIZCTEOSA-N 304.415 2.892 0 40 DFAB Cc1ncccc1NC(=O)COc1ccn(-c2ccccc2)n1 227150404 YSWZZRATBZGKHX-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2C2CCCC2)cc1 49466679 RXIXADNAMGNHKI-HOCLYGCPSA-N 303.358 2.612 0 40 DFAB C[C@H](NC(=O)/C=C/c1cccnc1)c1nc(C(C)(C)C)no1 96432767 WTJNVEWMMZKRNW-AEZGRPFRSA-N 300.362 2.653 0 40 DFAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(Cc1cccs1)C2 96220380 CSRLSCROBUHBIW-WMZOPIPTSA-N 320.502 2.928 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 96182788 WKTMOGSJKVZGPQ-KBPBESRZSA-N 316.449 2.893 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1cccc(C)c1 96521418 RAXPNDJIINDKBW-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nccs3)C2)cc1 96192580 YNKJXCAEEZCUBW-OAHLLOKOSA-N 317.370 2.674 0 40 DFAB Cc1cnn(CCC(=O)NC[C@@H](C)Sc2ccccc2)c1 96431703 PZCKJZGERKECPX-CQSZACIVSA-N 303.431 2.879 0 40 DFAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(C2CC2)CC1 96402523 XPBDMDVPPJETNG-JKSUJKDBSA-N 304.821 2.750 0 40 DFAB O=C(CCOC1CCOCC1)Nc1ccc2scnc2c1 95409504 MUGHJXKAFPKSBY-UHFFFAOYSA-N 306.387 2.821 0 40 DFAB Cc1cccc(C[C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 257211942 CBEJZFHCDYQMIL-QGZVFWFLSA-N 309.413 2.809 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]12Cl 254569774 SXIFUYIBLDTKKR-KDLCNMMTSA-N 309.192 2.738 0 40 DFAB COc1cccc(CN[C@H](C)[C@H](O)c2ccc(F)c(F)c2)n1 252509397 YMWLITJNFVCIGB-HWPZZCPQSA-N 308.328 2.580 0 40 DFAB Cc1cncc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257221412 DOYJKASINJHZPE-ZDUSSCGKSA-N 321.384 2.681 0 40 DFAB CCn1nc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C)cc1C 257326975 WZIDYNICTWGWDJ-AWEZNQCLSA-N 301.394 2.610 0 40 DFAB COc1ccc(C(=O)Nc2ccc(F)cc2-n2cccc2)nn1 97050167 QCWZPYBIOPNTHN-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB C[C@H](CNC(=O)c1ccc2ccccc2n1)CC1(C)OCCO1 97594365 VKEGNFUNDIYTNQ-ZDUSSCGKSA-N 314.385 2.754 0 40 DFAB Cc1cccc(C)c1NC(=O)c1ccc(C(=O)O)cc1C(=O)O 11565810 RIEZFTLBPKPGBS-UHFFFAOYSA-N 313.309 2.952 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)s1 12441612 LPHOUOAXRKZBQA-CQSZACIVSA-N 323.439 2.819 0 40 DFAB CCOC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)nc1C 14607443 UYZUYNFOJGKMLI-UHFFFAOYSA-N 323.356 2.957 0 40 DFAB CS(=O)(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226353072 HBZOSORAVUITMZ-UHFFFAOYSA-N 315.734 2.670 0 40 DFAB O=c1c(Cl)c(NCc2cccnc2)cnn1-c1ccccc1 15206169 IWAHZWFPMJSVKE-UHFFFAOYSA-N 312.760 2.893 0 40 DFAB CCn1nc(C(=O)Nc2ccccc2F)c2ccccc2c1=O 5578032 HANDQZWBNDUYMN-UHFFFAOYSA-N 311.316 2.808 0 40 DFAB CCOCCCNC(=O)CSc1nc2ccccc2nc1C 28190955 SOJHLHQGEPOEBM-UHFFFAOYSA-N 319.430 2.573 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@@H]1CCc1ccncc1 2037670935 ZFALFKHXUVKHAN-OAHLLOKOSA-N 311.385 2.723 0 40 DFAB O=C(Cc1ccsc1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520021 BRTLYXBIZGFMEU-KBPBESRZSA-N 301.415 2.882 0 40 DFAB C[C@@H](NC(=O)Cn1ccccc1=O)C12CC3CC(CC(C3)C1)C2 26395972 KDYNMJANHCMVOL-PGBRGIIUSA-N 314.429 2.569 0 40 DFAB CC[C@@H]1CCc2nc(NC(=O)[C@@H](NC(C)=O)C(C)C)sc2C1 40145867 DEYPGXPXUTVSGQ-RISCZKNCSA-N 323.462 2.757 0 40 DFAB Cc1cc(C2=NN[C@]3(C2)C(=O)Nc2ccc(F)cc23)ccc1F 132420 ZRBNXQDGCTVDQU-KRWDZBQOSA-N 313.307 2.818 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCOc3ccccc32)n1 40516251 AIXXGPQNULAVOP-UHFFFAOYSA-N 301.346 2.551 0 40 DFAB COc1ccc([C@H]2c3c(noc3C)C[C@](C)(O)[C@@H]2C(C)=O)cc1 1024788 GLADHIRRYCIFRN-KSZLIROESA-N 315.369 2.636 0 40 DFAB CCN(CC)[C@H](CNC(=O)c1ccccn1)c1ccsc1 31987962 QGKVUSVOYWYBQY-OAHLLOKOSA-N 303.431 2.956 0 40 DFAB Cc1ccsc1[C@@H]1NC(=O)c2c(sc3c2CCN(C)C3)N1 2483318 SGYSZZKWPYOXTR-CYBMUJFWSA-N 319.455 2.960 0 40 DFAB CC(=O)Nc1ccc(S[C@H](C(N)=O)c2ccccc2)cc1 11672269 UGUNDQPHKNCWSA-HNNXBMFYSA-N 300.383 2.964 0 40 DFAB CC(C)N(C(=S)Nc1ccc2[nH]cnc(=O)c2c1)C(C)C 6024113 JPCRZZFSTIEXCM-UHFFFAOYSA-N 304.419 2.739 0 40 DFAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1O 6678559 PVMNZKMOLJMQQQ-SDBXPKJASA-N 319.386 2.596 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C)CC2)c1C 7191893 AFOJJVQEMJFJGH-CYBMUJFWSA-N 306.406 2.721 0 40 DFAB Cc1csc(=O)n1CC(=O)OCc1nc2ccccc2s1 7977079 SMGVJTXWOWVVOB-UHFFFAOYSA-N 320.395 2.571 0 40 DFAB C[C@@H]1Cc2ccccc2N1CC(=O)NC(=O)NC1CCCCC1 2653700 SHBZJENVKBMZAP-CYBMUJFWSA-N 315.417 2.596 0 40 DFAB N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Cl)C1 41028048 VNDSHTQUIORUII-SECBINFHSA-N 317.614 2.666 0 40 DFAB COc1cc(/C=C2\SC(=S)N=C2O)c([N+](=O)[O-])cc1O 8778446 DGVGMCSFINPWJC-OQFOIZHKSA-N 312.328 2.638 0 40 DFAB Cc1ccc(C(=O)CCC(=O)N(C)C2CCN(C)CC2)cc1 46468223 BWJBCGDFEMWEOY-UHFFFAOYSA-N 302.418 2.511 0 40 DFAB CC(C)NC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 32912948 UFCOSJHKANKRPV-HOCLYGCPSA-N 317.433 2.694 0 40 DFAB Cn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 525558 IFADDUNBEDFIRL-UHFFFAOYSA-N 319.340 2.843 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CCC[C@H]3C 509643 RGISBFJDQVDZOY-SSDOTTSWSA-N 323.443 2.978 0 40 DFAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)no1 103044235 LFCOZPXCOSQWGY-ZDUSSCGKSA-N 324.384 2.954 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cccn1C)c1ccccc1Cl 23192604 NGQCZJZSRDHLOE-HNNXBMFYSA-N 305.809 2.711 0 40 DFAB CN(C)CCN(CC1=Cc2ccccc2OC1)Cc1ccncc1 22913823 OKBPGXXOBIYMNG-UHFFFAOYSA-N 323.440 2.921 0 40 DFAB Oc1ccc2c(c1)Sc1ccccc1C(N1CCNCC1)=N2 22060556 CAWOJGJDGLXKTF-UHFFFAOYSA-N 311.410 2.840 0 40 DFAB in-vitro C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)N2CCCCC2)o1 42677087 YMAJSJZMXFWTMF-OCCSQVGLSA-N 312.435 2.566 0 40 DFAB CC(C)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 23624140 QRKSRHVBIOJZMD-UHFFFAOYSA-N 304.434 2.651 0 40 DFAB Cc1ccccc1NCc1nnc2n(C)c(=O)c3ccccc3n12 12561465 PENUPCJTVXDLPC-UHFFFAOYSA-N 319.368 2.502 0 40 DFAB COc1ccc(F)cc1-c1csc(CCN2CCOC2=O)n1 55049444 HOHAWKLUCVESOT-UHFFFAOYSA-N 322.361 2.953 0 40 DFAB CCN(CC)C(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100123913 NGDJLVPDWHKCFX-UEILYKACSA-N 313.397 2.915 0 40 DFAB CS(=O)(=O)Nc1cccc(-c2nc(-c3ccsc3)no2)c1 69436399 ZISIUYOEFKMLAQ-UHFFFAOYSA-N 321.383 2.837 0 40 DFAB Nc1ccc2c(c1Br)=N[C@@H](c1ccc(Cl)cc1)N=2 103533620 OMRIYLFTNADZDH-ZDUSSCGKSA-N 322.593 2.636 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23224296 VXVDOVXCFVQFPP-IPYPFGDCSA-N 318.392 2.874 0 40 DFAB NC[C@H]1CCCCN1C(=O)c1ccc(F)cc1Br 44541244 DWVDAMWPGAWABV-SNVBAGLBSA-N 315.186 2.542 0 40 DFAB CCN(CC)CCC[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1 58342907 DMRFWJROEPYKAO-CQSZACIVSA-N 320.433 2.714 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@H]1CCCO1 28239868 ZLNQXSLHZLLPDY-CQSZACIVSA-N 316.426 2.951 0 40 DFAB CCN1C[C@H](CN(C)C(=O)NC2CCCC2)Oc2ccccc21 48311764 MXVUNUZIKORKPO-HNNXBMFYSA-N 317.433 2.858 0 40 DFAB COc1cc(C(=O)O)ccc1OCC(=O)N(C)C1CCCCC1 13419643 WPAFDRVKPVCLGQ-UHFFFAOYSA-N 321.373 2.563 0 40 DFAB Cc1nccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 65490970 KPMPBZGJFXQFGE-KRWDZBQOSA-N 304.353 2.699 0 40 DFAB Cc1ccc(C(=O)NCc2cc3c(s2)CCCC3)c(=O)[nH]1 65467461 IRAHTCTYAUDKPL-UHFFFAOYSA-N 302.399 2.554 0 40 DFAB CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O 69870381 BKJNODLHWQDPDM-GFCCVEGCSA-N 308.378 2.527 0 40 DFAB CCCc1noc(CCC(=O)N2CCC[C@H]2c2ccncc2)n1 65575082 NNSBOCOGAGMDIH-AWEZNQCLSA-N 314.389 2.713 0 40 DFAB CCOC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 5333659 GLHXELLWKDFSAZ-UHFFFAOYSA-N 308.337 2.929 0 40 DFAB CC(=O)c1cc(C(=O)N[C@H](C)COc2ccc(F)cc2)n(C)c1 65731253 GGGSADNLYMYCFO-LLVKDONJSA-N 318.348 2.564 0 40 DFAB CC(C)NC(=O)c1cccc(CNC(=O)N2CCCCCC2)c1 67465843 UCLVACPRZWAZMI-UHFFFAOYSA-N 317.433 2.910 0 40 DFAB CCc1ccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7240392 OAIJNZJUINPEJL-GFCCVEGCSA-N 311.385 2.787 0 40 DFAB CCNC(=O)[C@H](C)OC(=O)c1c(C)nc2ccccc2c1C 7711205 KYOLXOJDZJCJPP-LBPRGKRZSA-N 300.358 2.533 0 40 DFAB Cc1cncc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)c1 306140263 UOGKDGQHTSEDGK-UHFFFAOYSA-N 308.341 2.503 0 40 DFAB CC(C)c1n[nH]c(S[C@H](C)C(=O)NCc2ccc(F)cc2)n1 16826761 XNFHXNQVPWJKTK-SNVBAGLBSA-N 322.409 2.864 0 40 DFAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1C(C)C 9691240 RKRBLVBROYSTTI-UHFFFAOYSA-N 319.434 2.982 0 40 DFAB Cc1ccccc1Cc1noc(COc2cccc(C(N)=O)c2)n1 96456773 KNLWDEZCINOLGW-UHFFFAOYSA-N 323.352 2.647 0 40 DFAB C[C@H](C1CC1)N(C(=O)Cn1cnc(-c2ccccc2)n1)C1CC1 89894181 MOKWTWIVNDFKSB-CYBMUJFWSA-N 310.401 2.735 0 40 DFAB Cc1ccccc1NC(=O)NCC(=O)N1CCc2ccccc2C1 96705349 ODYLEUROBMTNOD-UHFFFAOYSA-N 323.396 2.701 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)NC[C@@](C)(O)CC)cc1 71875080 GXTCZKDDWFCAGK-HNNXBMFYSA-N 309.366 2.538 0 40 DFAB COc1ccc(CC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 26441525 TTYCODKHNAOVFU-UHFFFAOYSA-N 304.367 2.524 0 40 DFAB Cc1ccc(-n2nc(C)c(NS(=O)(=O)C(C)C)c2C)cc1 84174797 XAFUHTUARIIBCW-UHFFFAOYSA-N 307.419 2.948 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)o1 72235417 QEMYZGZLUVJAFX-CYBMUJFWSA-N 302.378 2.528 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)c1 72279979 WWVOZZKJYCGBGP-AWEZNQCLSA-N 323.400 2.763 0 40 DFAB C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2nccs2)C1 72287460 XRFCZSXYTTYTPM-QWHCGFSZSA-N 317.414 2.712 0 40 DFAB Cc1cccc(OCC(=O)N[C@H](C)CCc2cccn2C)c1 72296941 OUKRWZBBDXEPQX-OAHLLOKOSA-N 300.402 2.850 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)N[C@H]1CCCC[C@H]1O 97033270 BWHKAHHXDQBYHE-DZGCQCFKSA-N 314.389 2.606 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H]1CCCOC1 97145703 SLOIFXHSYJSZBK-LSDHHAIUSA-N 303.402 2.658 0 40 DFAB CCc1cccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1O 72311847 HRXFYNGTKIKFKB-UHFFFAOYSA-N 310.357 2.797 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)c1cc(C)oc1C)C2 72313401 KSHLKQQZCFBOFU-JSGCOSHPSA-N 301.390 2.636 0 40 DFAB COc1ccccc1COC1CCN(Cc2csnn2)CC1 97235510 QIMCYXRNLLVUAO-UHFFFAOYSA-N 319.430 2.728 0 40 DFAB COc1cccc2cc(C(=O)N[C@H](CO)c3ccccc3)oc12 97232927 TZSABWJKTCNBCS-CQSZACIVSA-N 311.337 2.905 0 40 DFAB CSc1cccc(NC(=O)Nc2ccn(CCN(C)C)n2)c1 76081990 NWXUUNBKXPLUHG-UHFFFAOYSA-N 319.434 2.811 0 40 DFAB O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cccnc1S 78593493 WWVYVPPQXMMIAC-MRXNPFEDSA-N 324.405 2.987 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)Nc1cccc(F)c1F 95434405 IFHWJBZUVOAULF-KRWDZBQOSA-N 318.323 2.920 0 40 DFAB CCc1csc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)n1 95416960 BZWYWOQJAYFVHO-ZDUSSCGKSA-N 318.402 2.786 0 40 DFAB CC(=O)c1csc(C(=O)N[C@H](CCO)c2cccs2)c1 95445774 UMVVNMYUQRLNCQ-LLVKDONJSA-N 309.412 2.866 0 40 DFAB Cc1nc(C2(NC(=O)[C@@H](C)N3CCCCCC3)CCCC2)no1 74043412 XIWHGSVODJVOSW-CYBMUJFWSA-N 320.437 2.528 0 40 DFAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1cccc2cc[nH]c12 95939678 HQAKFJMXDBYNLK-UHFFFAOYSA-N 321.384 2.902 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](NC(=O)N[C@](C)(CO)C1CC1)CCO2 95966579 AIMRURPTVKTLPW-CRAIPNDOSA-N 318.417 2.587 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)N(C)C1CCOCC1 74858665 BVLJWKFQZBHNPB-HNNXBMFYSA-N 320.433 2.891 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)cc1 75094382 JXJOVXWSXPTXFJ-UHFFFAOYSA-N 321.380 2.790 0 40 DFAB CS(=O)(=O)Oc1ccc2c(Cc3ccccc3F)noc2c1 20734372 UPMVCVACLCWHIZ-UHFFFAOYSA-N 321.329 2.896 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 33145342 WNWJOJITSBVWPB-INIZCTEOSA-N 314.316 2.966 0 40 DFAB O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-n2ccnn2)cc1 535529338 MMANBUQWIVBBOA-NUEKZKHPSA-N 310.401 2.966 0 40 DFAB CC(C)N(C(=O)[C@@H](C)S(C)(=O)=O)c1ccc(Cl)cc1 79040160 RZVOLHAXCRIRDR-SNVBAGLBSA-N 303.811 2.515 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)ncn1 72355594 XYHBJECEKKXJCQ-OAHLLOKOSA-N 306.373 2.707 0 40 DFAB O=S1(=O)CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 48609944 HMOCGWOQUXEVKU-UHFFFAOYSA-N 312.778 2.531 0 40 DFAB CCc1nn2c(c1-c1ccc(F)cc1)NN=C1C2=CC=NN=C1O 40391795 WJHNHISDLZKLFC-UHFFFAOYSA-N 324.319 2.830 0 40 DFAB COc1ccccc1OC[C@@H](C)NC(=O)Cc1ccc(F)cc1 223106202 YEDOWPMZMMADJJ-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB OCC(CO)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 195553654 ZYJNVJRZHNKOHY-MRXNPFEDSA-N 309.768 2.511 0 40 DFAB C[C@H]1CN(C(=O)NCCOc2cccnc2)[C@@H]1c1ccccc1 96440313 HPSHHNNHWHQEAY-YOEHRIQHSA-N 311.385 2.863 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 96423532 PRNLKXOGASSXLL-GVDBMIGSSA-N 318.461 2.720 0 40 DFAB CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1cc2ccccc2[nH]1 96499730 LNDMJKSCMUKFIC-RHSMWYFYSA-N 315.417 2.860 0 40 DFAB COc1ccc(CN2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96049965 WTPXRQYRQQGLDA-SFHVURJKSA-N 302.418 2.672 0 40 DFAB Cc1nc2ccccn2c1CN1C(=O)CN(c2ccccc2)C1=O 96424874 NWZPORJCZKOKMR-UHFFFAOYSA-N 320.352 2.612 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H](C)Oc2ccccc2C)no1 96439449 CYHFYHDASHYPHU-CYBMUJFWSA-N 303.362 2.558 0 40 DFAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CO2 96221905 DDXLBWKYXBZVCO-INIZCTEOSA-N 323.458 2.765 0 40 DFAB c1ccc(CN2CC3(C2)OCC[C@@H]3CCNc2ccccn2)nc1 248126392 XCTLTAWXRUISTK-INIZCTEOSA-N 324.428 2.570 0 40 DFAB CSC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 245312417 JCUKIVSRZUCMLC-GZBFAFLISA-N 313.850 2.674 0 40 DFAB COc1ncccc1CN(C[C@H]1CCCO1)[C@H]1CCSC1 248731121 LHLNHXDJKJCNFO-LSDHHAIUSA-N 308.447 2.577 0 40 DFAB Cc1cc(NC(=O)c2cccnc2O[C@H]2CCSC2)sn1 253394191 AIDDCJTUFDRFRA-JTQLQIEISA-N 321.427 2.983 0 40 DFAB C[C@H](CN1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1ccc(F)cc1 252586347 PIBFFSIGIXQXPI-KMFMINBZSA-N 304.409 2.920 0 40 DFAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc2nccn12 257303527 SHPBPKJTTIKWSK-MRXNPFEDSA-N 306.369 2.636 0 40 DFAB O=C(C1CCC1)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257280517 OLELTZZOSCMCQE-KRWDZBQOSA-N 314.429 2.731 0 40 DFAB O=C(c1ccsc1)N1CCC(c2ccnc3ccnn23)CC1 257326971 WZHYGDIVIOEIGB-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB CN(C)C(=O)CN1CCC[C@@H](Cc2cccc3ncccc23)C1 257264912 LWMKXZVBHIWIAW-HNNXBMFYSA-N 311.429 2.578 0 40 DFAB CCCN(CCC)c1nn(-c2cccc(C)c2)nc1C(=O)O 256048178 RETQMXKBQPAIPY-UHFFFAOYSA-N 302.378 2.900 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)n1 257248824 JFJWDULJRDPUOZ-CYBMUJFWSA-N 319.355 2.945 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257205426 AYZDIBYVZVICFM-AWEZNQCLSA-N 323.400 2.543 0 40 DFAB Cc1cccc(CC(=O)NCCn2ccc(-c3ccncc3)n2)c1 96098792 YWHRSXRNEFWYAJ-UHFFFAOYSA-N 320.396 2.612 0 40 DFAB Cc1cccc(OC[C@]2(O)CCN(Cc3ccncc3C)C2)c1 585269382 REIUZTLTUZWSSJ-IBGZPJMESA-N 312.413 2.714 0 40 DFAB O=C(NC[C@H]1COc2ccccc2C1)c1noc2c1CCCC2 56204428 AIZLFLSQAADKQI-LBPRGKRZSA-N 312.369 2.535 0 40 DFAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C(=O)O)cc1 55663141 APXHAYXBNHSMFP-UHFFFAOYSA-N 323.345 2.739 0 40 DFAB O=C(Nc1n[nH]c(-c2cccs2)n1)[C@@H]1C[C@@H]1c1ccco1 67573983 YVAFDYITNZOOKT-DTWKUNHWSA-N 300.343 2.868 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)C[C@H]2C=CCC2)C(=O)O)c1 97018740 OHIXPGCCGNXSBO-HOCLYGCPSA-N 301.386 2.711 0 40 DFAB C[C@H]1C(=O)N(Cc2csc(Br)c2)C(=O)[C@@H]1C 102691070 DATLVYLGAURSPL-RNFRBKRXSA-N 302.193 2.652 0 40 DFAB COc1ccc(/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 8116578 FJMMGXFAHYARBW-VCHYOVAHSA-N 315.325 2.918 0 40 DFAB Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 11923746 IEPGWRPQVCIDGN-UHFFFAOYSA-N 320.201 2.836 0 40 DFAB C[C@@H]1C[C@@H]2OC(=O)C[C@H]2[C@H](O)[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706444 SPLOODGEQMWFMA-MUBXARLJSA-N 310.434 2.919 0 40 DFAB O=c1c2ccccc2nc(O)n1-c1cccc(Br)c1 15424778 NNZYATJUNZLTJB-UHFFFAOYSA-N 317.142 2.854 0 40 DFAB O=C(Cn1cccn1)N[C@@H](Cc1cccs1)c1nccs1 19343314 RISLNIOPVPZDOG-LBPRGKRZSA-N 318.427 2.501 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2C)C1=O 6386053 HRRRGZBWOGYIOJ-XYOKQWHBSA-N 305.355 2.594 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1Br 3266293 XJTGMOKZCMIZSL-BDAKNGLRSA-N 312.163 2.587 0 40 DFAB NC(=O)c1ccc(COC(=O)c2ccc(Cl)cc2F)cc1 16549127 BWXBKFZPPWLXCQ-UHFFFAOYSA-N 307.708 2.935 0 40 DFAB COCc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 25330420 KZQLZKCOTWYLFN-MRXNPFEDSA-N 318.442 2.927 0 40 DFAB CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccs1 32771237 PREFGMDSCKRMIL-UHFFFAOYSA-N 302.808 2.617 0 40 DFAB CC(=O)N1CCCCN(C(C)C)CCOc2ccccc2C1 2037985430 JQHZMVCYUMIJJF-UHFFFAOYSA-N 304.434 2.918 0 40 DFAB CCCn1c(=S)[nH]c2cc(C(=O)N[C@@H](C)CC)ccc2c1=O 425347 PUALPFKAIKKFGQ-JTQLQIEISA-N 319.430 2.997 0 40 DFAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1 4107448 QAEIACMNQTVTMX-UHFFFAOYSA-N 310.313 2.783 0 40 DFAB COc1nn(C)cc1C(=O)N1CCC(Cc2ccccc2)CC1 9069550 KDMNYLKXJBVECI-UHFFFAOYSA-N 313.401 2.524 0 40 DFAB Sc1nnc(Cc2cccs2)n1-c1cccc2nonc12 13691397 FUKKBLLRBRGJEQ-UHFFFAOYSA-N 315.383 2.745 0 40 DFAB CC(C)n1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)n1 49025968 OXZHQIYBZSAQCV-UHFFFAOYSA-N 314.389 2.553 0 40 DFAB COc1ccc(CN[C@@H](C(=O)O)C(C)C)cc1Br 42325304 OTRJFKRLQUJJPS-GFCCVEGCSA-N 316.195 2.657 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1F 96405891 UQJBNSIQMMACLL-XZJROXQQSA-N 320.383 2.669 0 40 DFAB O=C(NCCCn1cccn1)C1=Cc2cc(Cl)ccc2OC1 40072364 YTGSNTBJVYDRRC-UHFFFAOYSA-N 317.776 2.519 0 40 DFAB Cc1sc2nc([C@H](C)N3CCOC(C)(C)C3)[nH]c(=O)c2c1C 30195801 ANFQPCSYYNFYAE-JTQLQIEISA-N 321.446 2.773 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(F)cc1 67080 ABXFRGREKJDWNN-ZDUSSCGKSA-N 308.378 2.524 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN(C)CC1 40480782 XLRVUICQPHJKPU-UHFFFAOYSA-N 315.442 2.943 0 40 DFAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccco2)nc1C 178996 VWWBLEQOANUODA-VOTSOKGWSA-N 306.343 2.873 0 40 DFAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 134962 OVTXHOLTYJOLLM-LJQANCHMSA-N 309.365 2.822 0 40 DFAB COc1ccc(C(=O)Nc2nnc(C(C)C)s2)c(OC)c1 199422 WHTKBLYOVSSQPJ-UHFFFAOYSA-N 307.375 2.931 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4cccn4)C3)cc2n1 69432369 XWXCUBHXRYHENB-ZDUSSCGKSA-N 310.357 2.810 0 40 DFAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2F)C1=O 1361764 GCVVRNJNYNHRDP-LLVKDONJSA-N 314.316 2.578 0 40 DFAB CC(C)CNC(=O)COC(=O)COc1ccc2ccccc2c1 3462731 NWIKVDMWOOVFSE-UHFFFAOYSA-N 315.369 2.534 0 40 DFAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c(C)c1 32104041 JBMVBEDJBMJRHM-MRXNPFEDSA-N 307.357 2.518 0 40 DFAB C[C@H]1C[C@H]1CNC(=O)CCCc1nc(-c2cccs2)no1 32392761 FGTMBVLBUSTPMY-QWRGUYRKSA-N 305.403 2.893 0 40 DFAB Cc1ccc(C(C)C)c(OCc2nc(N)nc(N(C)C)n2)c1 4615084 IJYDXQVTSPAIGO-UHFFFAOYSA-N 301.394 2.531 0 40 DFAB CCOc1ccccc1CNS(=O)(=O)c1ccc(C)cc1 6357252 DCWKTHUZJIQBSC-UHFFFAOYSA-N 305.399 2.872 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 6362158 NFUSDMGGUUFOPP-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB O=C(O)[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1cccnc1 101740839 GTSKLCDQTQZXMV-JKSUJKDBSA-N 300.333 2.521 0 40 DFAB CCN(Cc1nc(-c2cccc(C)c2)no1)C[C@@H]1CCOC1 52072460 WHBWZZJTKPPRQN-AWEZNQCLSA-N 301.390 2.903 0 40 DFAB Cc1ccnc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 102182421 CUMWCGCUQNIJTE-RFGFWPKPSA-N 305.447 2.818 0 40 DFAB Cn1c(=O)oc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21 89749515 OJJCRYHRNWITRF-UHFFFAOYSA-N 320.352 2.929 0 40 DFAB C[C@@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 46256512 JXOHMJUIEMLWGV-SNVBAGLBSA-N 308.428 2.661 0 40 DFAB CSCC[C@@H]1NC(=S)N(CC[C@H]2C[C@@H]3CC[C@@H]2C3)C1=O 102139962 DNMMSHUNZTXJCT-NDBYEHHHSA-N 312.504 2.651 0 40 DFAB COc1ccc([C@@H]2CCCN2c2cnn(C)c(=O)c2Cl)cc1 32829051 JCPQEZZNHNSEFC-ZDUSSCGKSA-N 319.792 2.784 0 40 DFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)no1 426284 MRSVYHUFRSPELD-SSDOTTSWSA-N 319.386 2.521 0 40 DFAB CCCCN(C)CC1CCN([C@H](C(N)=O)c2ccccc2)CC1 69737631 RDWSKXWUDUPJHK-SFHVURJKSA-N 317.477 2.657 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1C 33047675 FDKADOFRLAUJSY-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCCn1nnnc1NC(=O)c1cc(Cl)ccc1Cl 529781 YIUCKUJIFBHUKP-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB Cc1cnn(CC2CC2)c1NC(=O)c1cc2ccccc2c(=O)[nH]1 69709827 BMHSDLMELOCUNN-UHFFFAOYSA-N 322.368 2.695 0 40 DFAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(F)cc1F 818881 FJLZQABYPJDFRI-UHFFFAOYSA-N 320.320 2.980 0 40 DFAB CC(C)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25919261 OXKHJFOWLXPBPN-UHFFFAOYSA-N 317.385 2.535 0 40 DFAB O=S(=O)(CCc1nc(-c2ccsc2)no1)C1CCCC1 109475139 AGXZGHBVCFNSAK-UHFFFAOYSA-N 312.416 2.698 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)c3ccc(=O)[nH]n3)c2)c1 69703684 VSUSRAPFFQLDBL-UHFFFAOYSA-N 319.364 2.675 0 40 DFAB c1ccc2nc(Sc3nc(-c4ccncc4)n[nH]3)cnc2c1 42633103 FUFYMDWODPATSA-UHFFFAOYSA-N 306.354 2.961 0 40 DFAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cccs1 24695625 AJWSENCKJXWUAJ-UHFFFAOYSA-N 315.350 2.591 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)NCc1nnc2n1CCC2 43313268 ZTJSPUSOMGEGRN-UHFFFAOYSA-N 313.405 2.978 0 40 DFAB CCOc1ccccc1C(=O)NCc1c(C)nn(CC)c1C 28226370 ZHVNPHOMSLGPKS-UHFFFAOYSA-N 301.390 2.849 0 40 DFAB CC(C)c1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)nc(C(C)C)n1 107593320 RMOJQTLLOGNZTJ-GJZGRUSLSA-N 320.481 2.615 0 40 DFAB Cc1nc2ccccc2n1C[C@H](O)c1ccc2c(c1)OCCO2 58137455 VLSCGRULVMHIQH-INIZCTEOSA-N 310.353 2.850 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)c1cc(C2CC2)nn1C(C)(C)C 48129055 WAWFRBKFVAZNBA-GFCCVEGCSA-N 315.421 2.531 0 40 DFAB C[C@@H]1COCCN1C(=O)c1cccc(OCc2cscn2)c1 44912464 NCSIXCRFNDCJGF-GFCCVEGCSA-N 318.398 2.583 0 40 DFAB CCC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 58310429 ACTSJGSVYJGZOM-XVJNWHFHSA-N 320.820 2.870 0 40 DFAB Cc1noc([C@@H](C)NC(=O)Nc2nc3ccccc3s2)n1 58376953 ATAKKLXMQQTMGU-SSDOTTSWSA-N 303.347 2.870 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1OCC 3301211 CHSACFHNFOFBSO-UHFFFAOYSA-N 323.389 2.556 0 40 DFAB CC(=O)c1cccc(OCCCC(=O)NCC[C@@H]2CCCO2)c1 58792782 AJJHYBCTOWYZLT-INIZCTEOSA-N 319.401 2.734 0 40 DFAB CN(Cc1cscn1)S(=O)(=O)c1cccc(Cl)c1 48331592 BLOJUUIGVYPDLS-UHFFFAOYSA-N 302.808 2.617 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)c1 3400255 YPXHDCDZKDHMPF-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB CSc1cccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 12924759 CAHCOPQBVJTKLV-UHFFFAOYSA-N 317.414 2.680 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl 408712872 YGQWSNMTQPSVPZ-UHFFFAOYSA-N 321.167 2.978 0 40 DFAB COc1cccc([C@H]2SCC(O)=Nc3c2cnn3C)c1OC 49549811 DCWUUNABIFTSAH-CQSZACIVSA-N 319.386 2.862 0 40 DFAB Cc1ccc(-n2nnnc2S[C@H]2CCCCC2=O)cc1C 5171055 PARQKQMJZOOWAS-AWEZNQCLSA-N 302.403 2.883 0 40 DFAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc2nonc12 13939121 NJYULLXGUBFJII-UHFFFAOYSA-N 311.407 2.716 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1-n1cccc1 65465680 HECYMXGHRBTFBC-INIZCTEOSA-N 320.396 2.727 0 40 DFAB COCCn1ccc2cc(Nc3ncnc4c3cnn4C)ccc21 65593354 FHMLJOUHCNRFAZ-UHFFFAOYSA-N 322.372 2.708 0 40 DFAB O=C1OC(c2ccco2)=N/C1=C\c1cc2ccccc2nc1O 14242135 OZZIFTUNBPVXTM-LCYFTJDESA-N 306.277 2.878 0 40 DFAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1Cc1cccnc1 69150500 ZHVCEXZEFSTCOA-LJQANCHMSA-N 321.380 2.755 0 40 DFAB CNc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1 4741833 XYVGVZVBQJOFIU-OAHLLOKOSA-N 311.385 2.826 0 40 DFAB CCOc1cc2c(cc1NC(=O)CCn1cccn1)O[C@H](C)C2 69389592 SBWTZZLYYCNMHB-GFCCVEGCSA-N 315.373 2.634 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)c1C 84007927 ZPOQUIREUKIYIB-TVQRCGJNSA-N 318.373 2.669 0 40 DFAB O=C1[C@@H](NC[C@@H]2CCCn3ccnc32)CCCN1c1ccccc1 89845617 KDVKUSPLMXADRH-RDJZCZTQSA-N 324.428 2.546 0 40 DFAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCCO 71795652 GSWJTUXLRCBQOP-UHFFFAOYSA-N 318.348 2.827 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)N1CCO[C@H](C)[C@@H]1C 96476992 AAQLPIKUTDZDML-LSDHHAIUSA-N 320.433 2.930 0 40 DFAB O=C(Nc1cnn(-c2ccccc2)c1)N1CCO[C@@H]2CCC[C@@H]21 96421997 HVMWHSZUNQORMX-JKSUJKDBSA-N 312.373 2.658 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 71830781 XNHREYPQVAKHSP-VNHYZAJKSA-N 316.449 2.765 0 40 DFAB O=C(NCCCc1c[nH]c2ccccc12)NCc1cccnc1 71886597 YEZXSOKNYLPFQC-UHFFFAOYSA-N 308.385 2.995 0 40 DFAB O=C1C[C@H](c2nc(-c3ccsc3)no2)CN1CC(F)(F)F 71890293 RYVSRLXHQDMLIC-QMMMGPOBSA-N 317.292 2.676 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1ccccc1N1CCCCC1 72281972 IGTDZCXEBRWJGW-OAHLLOKOSA-N 324.428 2.618 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)c(C)nn1C 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Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2)sc1C 88508863 SZADJAITICOPAG-UHFFFAOYSA-N 314.407 2.720 0 40 DFAB CCc1nc(CC(=O)Nc2ccc(C)c(C(=O)O)c2)cs1 95970811 BFXGUULVCOWVQG-UHFFFAOYSA-N 304.371 2.893 0 40 DFAB COC(=O)c1cc(NC(=O)c2ccc[nH]2)ccc1Br 95984547 WZZHIJSMLPEFDU-UHFFFAOYSA-N 323.146 2.816 0 40 DFAB Cc1cccc(C(=O)Nc2cncnc2-n2cccn2)c1Cl 95991382 PNTOYRIVIHGNCI-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB COc1ccc(S[C@H](C)C(=O)NCc2cccn2C)cc1 76089257 FTZTVPUCBCEJCT-GFCCVEGCSA-N 304.415 2.831 0 40 DFAB CN(C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C1CC1 74760498 YZZHOWBDLQRDPU-QXMXGUDHSA-N 323.437 2.721 0 40 DFAB COc1cc(CNC(=O)N[C@H]2CC=CCC2)cc(OC)c1OC 77546653 ZEUYRNIKDYKQIG-ZDUSSCGKSA-N 320.389 2.620 0 40 DFAB Cn1cccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 409083400 AHVNXCDKKPZONG-ZROIWOOFSA-N 315.760 2.771 0 40 DFAB CSCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 79070477 MZNMEPHKTIHHAK-LLVKDONJSA-N 314.401 2.803 0 40 DFAB CSc1ccc(NCC(=O)N(C)CC(F)(F)F)cc1F 79016975 GXFGGCCCZSPLJM-UHFFFAOYSA-N 310.316 2.980 0 40 DFAB COc1ccc(C(C)=O)cc1CN1CCCN(C2CC2)CC1 61041046 ZYPSFFHIMVQGPF-UHFFFAOYSA-N 302.418 2.568 0 40 DFAB C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 408707101 JSFKNUUUMRNOIQ-LSDHHAIUSA-N 310.397 2.784 0 40 DFAB CCc1ccc(OCC(=O)Nc2nnc(SC)s2)cc1 39989095 DHAVSQICGRTUES-UHFFFAOYSA-N 309.416 2.840 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2cnn3C)cc1 36616560 RJPFVLQMIHGQRR-LBPRGKRZSA-N 324.384 2.776 0 40 DFAB Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)cnc1N 72218480 JULPUIQKNYCBJT-UHFFFAOYSA-N 307.394 2.850 0 40 DFAB O=C(Cc1ccccc1Cl)Nc1cc(N2CCCC2)ncn1 75166306 YHALDYDBKUXNCX-UHFFFAOYSA-N 316.792 2.911 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)o1 79351040 YYNRCLXDJSAMMN-CQSZACIVSA-N 315.304 2.938 0 40 DFAB Cn1cccc1CN(C(=O)c1ccc2nsnc2c1)C1CC1 62018275 NFQXBWZMEUKMHE-UHFFFAOYSA-N 312.398 2.835 0 40 DFAB COC(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)OC 136764028 BRFFSSUSXULUFZ-MRXNPFEDSA-N 313.825 2.704 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)N1CCCCC1 226851447 WNPVHAIJGWCINV-OAHLLOKOSA-N 313.401 2.961 0 40 DFAB CCOC(=O)C(F)(F)[C@@](C)(O)c1cccc(Br)c1 40539683 AETDLDUTWNRJGB-NSHDSACASA-N 323.133 2.855 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNCc1ccccc1-n1cccn1 84673673 AQUUFLWULKESEL-SJORKVTESA-N 317.458 2.609 0 40 DFAB C[C@]1(CNC(=O)Nc2cnns2)CCCc2ccccc21 192367596 CNWUWMLEUBXNCN-OAHLLOKOSA-N 302.403 2.954 0 40 DFAB C[C@@H](NC(=O)N(C)c1ccc(F)cc1)[C@@H](O)Cc1ccccc1 190794661 MPVLOWMODUZGCX-DYVFJYSZSA-N 316.376 2.964 0 40 DFAB Cc1csc(C2(NC(=O)CC3(C(=O)O)CCC3)CCCC2)n1 195578244 FKHKGHYNBUDBMD-UHFFFAOYSA-N 322.430 2.982 0 40 DFAB CC(C)(O)CN1CCc2c(cccc2NCc2cncs2)C1 97372188 KGIOAZDJXQBBHT-UHFFFAOYSA-N 317.458 2.884 0 40 DFAB C[C@H]1CN(C(=O)CN[C@@H]2CCCC[C@@H]2C(C)(C)C)C[C@@H](C)O1 97324246 TUOFNVTVMPMLJT-XUWVNRHRSA-N 310.482 2.817 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1[C@H]1CCCOC1 577756119 RJHITFWRBXGRIV-KCXAZCMYSA-N 319.449 2.938 0 40 DFAB Cc1cc(CN2CCC3(CC2)CO[C@H](COCC2CC2)C3)no1 96106019 IBTHUTZMKSIALN-KRWDZBQOSA-N 320.433 2.781 0 40 DFAB COC(=O)N1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 96501522 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CCn1ncc2ccc(NC(=O)[C@H]3CC[C@H](C(=O)O)CC3)cc21 262692092 FCIUQRYFTCZVSI-HAQNSBGRSA-N 315.373 2.886 0 40 DFAB NCc1cc2cccc(I)c2nc1Cl 685937044 HUSZUPSCEPXRCL-UHFFFAOYSA-N 318.545 2.952 0 40 DFAB CC[C@H](C)n1c(S[C@H](C)C(N)=O)nnc1-c1ccccc1 58201198 DYROXZHYJXJDOC-WDEREUQCSA-N 304.419 2.882 0 40 DFAB Cc1ccc(CC(=O)NC[C@H]2COC3(CCCCCC3)O2)cn1 97038267 DYIBKLUWFTVTIP-INIZCTEOSA-N 318.417 2.515 0 40 DFAB CCc1cccc2c(CC(=O)NCCn3ccc(C)n3)c(C)[nH]c12 12199143 IPQLHLGPXGWBTI-UHFFFAOYSA-N 324.428 2.903 0 40 DFAB O=C(CSc1cc(N2CCCCC2)ncn1)NC1CCCC1 32951285 AJXJGPYDDGEVNF-UHFFFAOYSA-N 320.462 2.618 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 7308104 BWENIGARWYEFKL-IUCAKERBSA-N 324.229 2.791 0 40 DFAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O 19990101 DBRCBENDHKSYPA-CYBMUJFWSA-N 316.401 2.592 0 40 DFAB O=C(NCc1ccnc(N2CCCC2=O)c1)Nc1cccs1 1565520049 ZKIZLMYTIGDOHB-UHFFFAOYSA-N 316.386 2.592 0 40 DFAB O=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1 421834 NKXFAOSUPLKINK-UHFFFAOYSA-N 309.416 2.903 0 40 DFAB CN(C)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1 11693605 SSDBHUPSRMJHFT-UHFFFAOYSA-N 300.377 2.793 0 40 DFAB O=C(Cc1csc(-c2cccnc2)n1)Nc1nccs1 8060556 RJAPYUAPCSUPDN-UHFFFAOYSA-N 302.384 2.843 0 40 DFAB Cc1csc(N(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 40548845 WDLUCFJPOHMPNG-LLVKDONJSA-N 319.361 2.679 0 40 DFAB C[C@H]1CN(C(=O)CSc2nccc3ccccc23)C[C@H](C)O1 16609439 ROYSYBZNNFSCMN-STQMWFEESA-N 316.426 2.963 0 40 DFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 2616505 LHBBWOYTQYWJBN-UHFFFAOYSA-N 315.822 2.563 0 40 DFAB O=C(OCc1cc(-c2ccccc2)no1)c1cnn2cccnc12 45991925 QKESRNUEXLIBBK-UHFFFAOYSA-N 320.308 2.741 0 40 DFAB O=S(=O)(Cc1cccc(Cl)c1)c1nc(Cl)ns1 4290531 JFKXGMTXATUHTG-UHFFFAOYSA-N 309.199 2.819 0 40 DFAB CCSc1nnc(NC(=O)COc2cccc(C)c2)s1 363426 JWQJJJLIKSXBAK-UHFFFAOYSA-N 309.416 2.976 0 40 DFAB CCCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 4933118 YEJJDWPGKAXHHZ-UHFFFAOYSA-N 303.362 2.594 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 71927985 AYJJHYJCJVVJIV-WFASDCNBSA-N 311.385 2.718 0 40 DFAB C[C@H](Sc1nc2ncccn2n1)c1nc(-c2ccco2)no1 29740404 VUOXZZCHQBUSBU-QMMMGPOBSA-N 314.330 2.621 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1cccc2c1OCCO2 55894206 MVUXTVQVGUREGU-ZDUSSCGKSA-N 324.380 2.848 0 40 DFAB O=C(O[C@@H]1CCCCC1=O)c1cc(Cl)c2c(c1)OCCO2 21498533 SFJJLKWBZQYSMA-GFCCVEGCSA-N 310.733 2.780 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2ccc(Cl)nc2)c(C)c1 71991987 ARZRJCLSEWLCEF-UHFFFAOYSA-N 310.806 2.830 0 40 DFAB CCc1n[nH]c(Sc2nc(-c3ccncc3)nc(C)c2C)n1 71904571 MCOLJBNUEANGKI-UHFFFAOYSA-N 312.402 2.987 0 40 DFAB CC(C)n1c(=O)[nH]c(=O)c2c(-c3ccc(Cl)cc3)ccnc21 10339005 VFYDXHPHLBLXHD-UHFFFAOYSA-N 315.760 2.986 0 40 DFAB Cc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 11914395 SKTTWOKSTBUQDB-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB Cc1cc(OC[C@@H](O)COc2ccc(Cl)cc2)nnc1C 71915840 DFZJTGJJASDWIF-ZDUSSCGKSA-N 308.765 2.566 0 40 DFAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccsc2)c1 21935769 ZWKISXZZMRESEK-UHFFFAOYSA-N 316.426 2.753 0 40 DFAB COc1ccc(C(=O)CN2Cc3ccccc3C2=N)cc1OC 100495402 SITGHNXHIMFKTI-UHFFFAOYSA-N 310.353 2.728 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(F)ccc1C 41705575 KEVYLWRNMMHQFI-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1N 57340494 HDSDJOLQAHMQMS-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)NC2CCC(C)CC2)c1 23042609 FNISCYKWKZWUTJ-UHFFFAOYSA-N 302.418 2.810 0 40 DFAB COCCN(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C)s1 75413885 MQLRGMOZBBCBMJ-ZDUSSCGKSA-N 311.451 2.631 0 40 DFAB Cc1ccc(F)c(S(=O)(=O)N(C)Cc2c(C)noc2C)c1 42994163 KUQDSXQSWQZEHD-UHFFFAOYSA-N 312.366 2.560 0 40 DFAB Cn1ccs/c1=N\C(=O)Cc1csc(-c2ccsc2)n1 102893190 XKJNGUBBVYPXCI-SQFISAMPSA-N 321.452 2.942 0 40 DFAB O=c1cc(CN2CCC[C@@H]2C2CCCC2)nc2sccn12 55927948 FBHWJAKGAXOBEQ-CQSZACIVSA-N 303.431 2.911 0 40 DFAB CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 47601258 FSDQBIQXNAHHGE-BXKDBHETSA-N 304.312 2.837 0 40 DFAB O=C(CSc1nc(-c2ccccc2)ns1)N1CCCC1 58159611 RTZVVIXCSDMPEU-UHFFFAOYSA-N 305.428 2.920 0 40 DFAB c1csc(-c2noc(CN(C[C@H]3CCOC3)C3CC3)n2)c1 44937949 DKJFBHRBRMNIEY-LLVKDONJSA-N 305.403 2.799 0 40 DFAB CN(CC(=O)Nc1nnc(C(F)F)s1)Cc1ccccc1 58309974 GZOXHIIMFBQUML-UHFFFAOYSA-N 312.345 2.546 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 58403220 HDLRTNBNKFVTBA-OAHLLOKOSA-N 302.418 2.619 0 40 DFAB C[C@H](COCC(F)(F)F)NC(=O)c1ccc2ccccc2n1 58417962 NCHQFMLXJSDUMA-SNVBAGLBSA-N 312.291 2.932 0 40 DFAB O=C1CN(C(=O)CCC(=O)c2cccs2)c2ccccc2N1 3322945 PXGFRHBRWSVONV-UHFFFAOYSA-N 314.366 2.696 0 40 DFAB CCc1ncc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)s1 70009588 PHSMSZXRUSRRBT-LBPRGKRZSA-N 304.419 2.515 0 40 DFAB COc1ccccc1C1(C(=O)NCc2ccco2)CCOCC1 16985590 DBHKRYYZGRSROZ-UHFFFAOYSA-N 315.369 2.653 0 40 DFAB O=C(NCCC(=O)N1CCCC1)c1c[nH]c2cc(Cl)ccc12 69349769 ZLDWUZTXTHQVTP-UHFFFAOYSA-N 319.792 2.564 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3Cc4ccccc4O3)ccc21 12984215 BMMHSTSOWQCJST-SFHVURJKSA-N 322.364 2.538 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3 3894252 RYYRKVCLCSUWJT-UHFFFAOYSA-N 323.443 2.808 0 40 DFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 4095422 FICBEPYGHBVSDM-GFCCVEGCSA-N 307.781 2.510 0 40 DFAB CC[C@@H](C(=O)N1CCCCCC1)n1cnc2ccccc2c1=O 5245596 PTGUNAOUIJVUKU-INIZCTEOSA-N 313.401 2.750 0 40 DFAB COc1ccc([C@H](O)CNC(=O)C2(c3ccccc3)CC2)cc1 69587519 CGLUJTVRNOGLJE-QGZVFWFLSA-N 311.381 2.577 0 40 DFAB Cn1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)ccc1=O 69780039 XMMUHXAUKLMGFX-KRWDZBQOSA-N 310.397 2.623 0 40 DFAB COc1ccc(C)cc1CS(=O)(=O)Cc1nc(C)c(C)o1 69707313 KWWDCIVLRARNLQ-UHFFFAOYSA-N 309.387 2.723 0 40 DFAB COc1c(CNC[C@@H](O)c2ccc(C)cc2)c(C(C)C)nn1C 65476850 ARUUTLQATSDYKP-MRXNPFEDSA-N 317.433 2.684 0 40 DFAB O=C(/C=C/c1ccco1)N1CCN(C(=O)CC2CCCC2)CC1 65538286 QCHVJGJRZDGOMD-BQYQJAHWSA-N 316.401 2.544 0 40 DFAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCSCC1 65554488 DXOXFONJDMZWQW-SNVBAGLBSA-N 301.358 2.698 0 40 DFAB Cc1cccc(NC[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)n1 65538545 HCIPWHMWLXXDLR-HNNXBMFYSA-N 300.406 2.929 0 40 DFAB C[C@@H](C(=O)N1CCc2ccccc21)n1c(=O)oc2ccccc21 14105945 ZQEGDJVHIIQOSM-LBPRGKRZSA-N 308.337 2.745 0 40 DFAB O=C(CSc1nnnn1-c1ccccc1)c1ccccc1F 5652366 BSALFQHQGANDLC-UHFFFAOYSA-N 314.345 2.776 0 40 DFAB CCCOc1ccc(C(=O)NC2=NCCS2)cc1OCC 14817960 OPFUTBZEZBYPJW-UHFFFAOYSA-N 308.403 2.707 0 40 DFAB NC(=O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccc(F)cc1 8939872 VRHKQYOPZUHOMB-MRXNPFEDSA-N 313.284 2.538 0 40 DFAB COCCN(CC(=O)Nc1ccccc1Cl)CC(F)(F)F 69982830 LZLHHXVLFVCINU-UHFFFAOYSA-N 324.730 2.789 0 40 DFAB CC1CCC(NC(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67283716 HBRUURQLCRQUEW-UHFFFAOYSA-N 317.368 2.996 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 8778864 MATSCFWVSJDACZ-CMDGGOBGSA-N 321.336 2.896 0 40 DFAB C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 67675746 ZQOOVXAXEWLOOH-CQSZACIVSA-N 324.428 2.776 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)Nc2cc(C)on2)c1 67718719 QGVSQHOPHOLQQH-UHFFFAOYSA-N 302.378 2.756 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 7595301 KXSHJNKOYVVJGO-UHFFFAOYSA-N 300.333 2.709 0 40 DFAB CN1CC[C@@H](Nc2cc(Cl)ccc2OCC(F)(F)F)C1=O 81085182 SDOSAMYXECUFRW-SECBINFHSA-N 322.714 2.924 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 7843687 BDLSNTJJAHLXNJ-UHFFFAOYSA-N 322.368 2.675 0 40 DFAB O=C(Nn1cnc2ccccc21)c1ccc(-n2cccn2)cc1 9154551 PKARLEGKJBYHPX-UHFFFAOYSA-N 303.325 2.606 0 40 DFAB O=C(OCCCc1cccnc1)c1cc(=O)[nH]c2ccccc12 9117599 KAWQAWXUGJLRTR-UHFFFAOYSA-N 308.337 2.713 0 40 DFAB CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc3c(c2)OCO3)CCO1 96005523 WVKIFAGHQIQYHP-CZUORRHYSA-N 319.401 2.873 0 40 DFAB C[C@@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@H]1N(C)C 76056714 LGLWKBJCRBSSEO-MEBBXXQBSA-N 305.809 2.843 0 40 DFAB CCn1nc(C)cc1C(=O)NCCc1c[nH]c2ccc(F)cc12 96408516 IBMGOIWPAXOZPI-UHFFFAOYSA-N 314.364 2.804 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccccc2)CC1 71834939 BKVAILMRRLHOSQ-DLBZAZTESA-N 310.397 2.728 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 71827216 YZWNTOBMSURVRM-LRDDRELGSA-N 313.401 2.639 0 40 DFAB C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 76878968 JMJBDZUDOUJWKD-YCPHGPKFSA-N 316.401 2.808 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)C(N)=O)c(Sc2ccccc2)c1 97085820 CMCHLQAWEWUXGP-LBPRGKRZSA-N 314.410 2.750 0 40 DFAB Cc1cccc(C)c1NC(=O)NCCCNC(=O)C1CCC1 97098723 BUNNHZVNPFIZGD-UHFFFAOYSA-N 303.406 2.731 0 40 DFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccoc1C 78957460 RSFKTUKLDLHKFZ-ZDUSSCGKSA-N 301.342 2.890 0 40 DFAB Cc1cccc(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1 95426094 BYWXNOCEKSEFND-NVXWUHKLSA-N 320.458 2.849 0 40 DFAB CC[C@H](C)N(CC(=O)O)Cc1nc(CCc2ccccc2)no1 95433460 QNZNPRPTRXHIJX-ZDUSSCGKSA-N 317.389 2.540 0 40 DFAB C[C@@]1(c2cccs2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O 95944879 UEVWAXFJCIWHKW-AWEZNQCLSA-N 321.789 2.764 0 40 DFAB CN(CCO)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 95982047 QAZPVKDFRLLNMH-UHFFFAOYSA-N 318.348 2.752 0 40 DFAB C[C@@H](NCc1noc2c1CCCC2)c1ccc(-n2cncn2)cc1 95984303 JTISKRRQWPJWBI-CYBMUJFWSA-N 323.400 2.985 0 40 DFAB CC(C)(C)OC[C@@H](O)CN1CCC(Nc2ccccc2F)CC1 89694311 VBCOKHFVJVBJGG-HNNXBMFYSA-N 324.440 2.878 0 40 DFAB COc1ccc(OC[C@H](O)Cn2cnc(-c3ccccc3)c2)cc1 27755803 QOCVSEREBWCSKS-MRXNPFEDSA-N 324.380 2.999 0 40 DFAB O=C(c1cncc(O)c1)N1CCC(c2ccc(Cl)cn2)CC1 1548754586 BLEVDVYCGBIZTC-UHFFFAOYSA-N 317.776 2.855 0 40 DFAB CC(C)n1c(=O)c2sccc2n(Cc2ccccc2)c1=O 32073261 QGXSIRCDOVUCLG-UHFFFAOYSA-N 300.383 2.854 0 40 DFAB O=C(NC1CCSCC1)c1ccn(-c2cccc(F)c2)n1 60337743 DHELZTZYVYRCJH-UHFFFAOYSA-N 305.378 2.637 0 40 DFAB CSCC(=O)Nc1ccc(OCCN2CC[C@@H](C)C2)cc1 73302827 GHCCJMVDVAYWGU-CYBMUJFWSA-N 308.447 2.709 0 40 DFAB Cc1ccsc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 129998053 VZJWAPCWMOTCBS-CYBMUJFWSA-N 301.415 2.850 0 40 DFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C(C)C)C2)on1 72334662 CKWGDGPLWDDURS-CYBMUJFWSA-N 314.389 2.802 0 40 DFAB Nc1nnc(COc2ccc(Br)cc2Cl)o1 216746801 HUHRQFAICOJENQ-UHFFFAOYSA-N 304.531 2.647 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C1 72239396 OBZCLDWFJDGYTI-IOASZLSFSA-N 320.458 2.916 0 40 DFAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cccnc3)C[C@H]21 72392518 HXLFWTKTKKJVNF-SCTDSRPQSA-N 309.413 2.515 0 40 DFAB COC(=O)[C@H](C)[C@@H](NC(=O)c1oc(C)nc1C)c1ccccc1 79637699 LWMVSLKAKZWNPF-QMTHXVAHSA-N 316.357 2.572 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CNC(=O)OC(C)(C)C 81425649 UDADMWPLCFNTHB-JSGCOSHPSA-N 321.421 2.780 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@@H]2C1 195535423 JJEKECXQHKCQAY-JQHSSLGASA-N 309.413 2.698 0 40 DFAB COc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1C 225190483 HHWJOECUODFFBB-UHFFFAOYSA-N 303.333 2.952 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCCCCC2)cc1C 225589811 QZIYLCNBAYOYLV-UHFFFAOYSA-N 318.461 2.928 0 40 DFAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC 223193992 CNNAZFDIOPFKAR-CQSZACIVSA-N 310.825 2.993 0 40 DFAB Cn1cc(CNC[C@H](c2ccc(Cl)cc2)n2cccn2)cn1 96459580 HFSYRGZFKKISHW-MRXNPFEDSA-N 315.808 2.649 0 40 DFAB N[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2ccsc2)C1 333806066 IMXWCZQZKAORPG-CVEARBPZSA-N 322.474 2.946 0 40 DFAB O=C1[C@H](Nc2cccc(CO)c2)CCCN1c1cccc(F)c1 96406718 CCWZBAAQKOJCPI-QGZVFWFLSA-N 314.360 2.926 0 40 DFAB O=C(O)c1csc(CN2CCc3c([nH]c4ccccc34)C2)n1 578019430 XGCZAHNIDLMHJY-UHFFFAOYSA-N 313.382 2.881 0 40 DFAB c1cnc(NCc2cncc3c2CCN(Cc2ccoc2)C3)nc1 96189528 MCGWZZWTZFGQOK-UHFFFAOYSA-N 321.384 2.635 0 40 DFAB Cc1ccc(C)c(-c2cc(C(=O)N3CCSCC3)[nH]n2)c1 96097169 YCNLYWLREQGAMA-UHFFFAOYSA-N 301.415 2.883 0 40 DFAB COc1ccc(C2(N)CCN(C(=O)OC(C)(C)C)CC2)cc1 98213791 SDRZYJXCIPYBET-UHFFFAOYSA-N 306.406 2.880 0 40 DFAB Cc1nn2cccnc2c1C(=O)NCCOC1CCCCCC1 96411273 VPWFMHXIYVTIQQ-UHFFFAOYSA-N 316.405 2.507 0 40 DFAB c1cnc(N2CCC3(CCN(Cc4ccco4)CC3)CC2)nc1 96047338 PXIGOUSSGNCXHB-UHFFFAOYSA-N 312.417 2.952 0 40 DFAB O=S(=O)(Nc1ccncc1)c1ccc(OCC(F)F)cc1 96501911 VWEPPZNBDFZDAJ-UHFFFAOYSA-N 314.313 2.526 0 40 DFAB CC(=O)c1c(C)nc(C)nc1SCc1nc(C2CC2)n[nH]1 96501459 OAGOCNSENUJQGX-UHFFFAOYSA-N 303.391 2.584 0 40 DFAB C[S@](=O)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccccc1 245289894 FYEFZITVAXOHCL-SGRMJCNGSA-N 317.410 2.619 0 40 DFAB Oc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 257298792 RNHGNLMSYSGKRD-IBGZPJMESA-N 313.397 2.798 0 40 DFAB O=C(C1CCOCC1)N1CCO[C@H](Cc2cccc(Cl)c2)C1 257236306 HBNVPRBBMPFOAL-MRXNPFEDSA-N 323.820 2.537 0 40 DFAB C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1cnn(C)c1 266729114 KOTZWUPRWKJLJC-LLVKDONJSA-N 306.435 2.820 0 40 DFAB O=C(Nc1cc(-n2cccn2)ncn1)c1cc2ccccc2o1 90614161 DDAJOXRONDTORO-UHFFFAOYSA-N 305.297 2.661 0 40 DFAB CN([C@H]1CCCC[C@H]1O)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585288792 JIGMQHGRNOTROS-NTZUZEMLSA-N 319.445 2.583 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2nc(C(C)=O)cs2)cc1 44895455 SXWUZEOQJHHZTQ-JTQLQIEISA-N 320.370 2.760 0 40 DFAB COc1ccc(OCCSCC(=O)Nc2nccs2)cc1 50249945 UDODRKJLUOZJOQ-UHFFFAOYSA-N 324.427 2.902 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)C2CCCCC2)c(OC)c1 70636830 LMXFLWXLCZFCRW-OAHLLOKOSA-N 322.405 2.767 0 40 DFAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3OCCc4ccccc43)cc12 90408374 ZTRVTOGADUDTFC-OAHLLOKOSA-N 308.341 2.519 0 40 DFAB O=C(C1CCCC1)N1CCC[C@@H]1Cn1c(=O)oc2ccccc21 12336944 DEYPFILMDZZYPP-CQSZACIVSA-N 314.385 2.776 0 40 DFAB CN(C)CCCNC(=O)CSCc1c(F)cccc1Cl 13673679 LYRBFGHIENCZEY-UHFFFAOYSA-N 318.845 2.780 0 40 DFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 15332067 HLLXTLUIBDPZBW-ZDUSSCGKSA-N 313.353 2.542 0 40 DFAB COc1ccccc1CNc1c2c(nc3ncnn13)CCCC2 15786723 HILXVODKNDIGDP-UHFFFAOYSA-N 309.373 2.624 0 40 DFAB CN(Cc1ccc(F)cc1)Cc1cc(C2CCNCC2)nn1C 19710203 ZMYNTNHEFUVESX-UHFFFAOYSA-N 316.424 2.658 0 40 DFAB CCCCc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937498 BQDHDWDACWPIJK-UHFFFAOYSA-N 313.401 2.911 0 40 DFAB O=C(N[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1)C1CC1 1888852994 KVSRMQJXJAYYMK-LLVKDONJSA-N 314.216 2.883 0 40 DFAB Clc1cnn(CC2CN(c3nc4cnccc4s3)C2)c1 1889136321 LSPWMOMAMWZPNB-UHFFFAOYSA-N 305.794 2.678 0 40 DFAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccn1 28781310 KODMTNPPPRCUJM-SECBINFHSA-N 306.163 2.730 0 40 DFAB COc1ccc([C@H](NC(=O)Cn2ccnc2C)C(C)C)cc1 29937943 WLQXHAIINHXOIC-QGZVFWFLSA-N 301.390 2.714 0 40 DFAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCCC1 415724 YTOWSDFCOMNVKQ-UHFFFAOYSA-N 307.350 2.590 0 40 DFAB CCc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1 4852190 VVGKWDFDCDROQX-UHFFFAOYSA-N 321.384 2.723 0 40 DFAB c1cc(N2CCC(Oc3nccs3)CC2)nc(C2CC2)n1 2086883043 YVXOZYRNGANBRY-UHFFFAOYSA-N 302.403 2.858 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)no1 585147916 HQMPDSHLYYJCHW-OAHLLOKOSA-N 312.325 2.706 0 40 DFAB CN(C)c1cc(C(=O)NCCc2ccc(Cl)s2)ccn1 40122190 JQAXTENPDISIGY-UHFFFAOYSA-N 309.822 2.835 0 40 DFAB Cn1ncc2c(Nc3ccccc3Br)ncnc21 103307 SEKIXQCJBSACHJ-UHFFFAOYSA-N 304.151 2.869 0 40 DFAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1F 7990204 DANXTMPHWFOEIE-QLJPJBMISA-N 319.307 2.982 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1 248965 CYZHSUYSJMKOIZ-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)OC(C)C)n2C)cc1 421404 OVDKOJDIMZYNPN-UHFFFAOYSA-N 305.403 2.834 0 40 DFAB CC(C)c1nnc(SCC(=O)N2CCc3ccccc32)n1C 1356020 ITMXEBHWQZRJHO-UHFFFAOYSA-N 316.430 2.620 0 40 DFAB Sc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 3298499 ZGJLYGIOVLDUOI-UHFFFAOYSA-N 321.471 2.691 0 40 DFAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4163558 ICSXAMDMZIUDCV-AWEZNQCLSA-N 324.258 2.781 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N[C@H]1CCCc2ccccc21 4650972 UVMZXUCARQBRNW-XLTGGDBASA-N 313.397 2.927 0 40 DFAB Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(C(=O)O)cc1)S2 20719151 NEISNUBSVBRRDU-LLVKDONJSA-N 318.383 2.573 0 40 DFAB CN(C)C1(CNC(=S)NCCc2ccccc2)CCCCC1 6335969 ZRBVBTMBSYXUGH-UHFFFAOYSA-N 319.518 2.958 0 40 DFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c2ccccc2n1 6996170 PFCRYAHDAKQGJT-LZDSYCOUSA-N 304.349 2.855 0 40 DFAB O=S(=O)(c1cccc(Cl)c1)N1CCc2ncsc2C1 41194315 VBUVVDYPNFFTIO-UHFFFAOYSA-N 314.819 2.544 0 40 DFAB O=C(NCCC1CCCCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 46279515 LTHHGIKVXMGOMZ-OAHLLOKOSA-N 306.450 2.864 0 40 DFAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(N)CC1 33456518 FELMZRKPCQTJKB-VIFPVBQESA-N 317.216 2.710 0 40 DFAB CCS(=O)(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 53646332 BDWLMSNBTUJSPN-LBPRGKRZSA-N 315.435 2.730 0 40 DFAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1 21985494 OAKKLSXHYCYJBM-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB CCOc1ccccc1NC(=O)CSc1cc(C)ncn1 1286583 INLSEUIVDHGQSV-UHFFFAOYSA-N 303.387 2.915 0 40 DFAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1cccc(F)c1 101276552 CZNKSXKCEMVFBS-AWEZNQCLSA-N 302.280 2.709 0 40 DFAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(-c2ccco2)[nH]n1 24741120 NRLQBHLBRYYNDZ-UHFFFAOYSA-N 321.296 2.972 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)CCc1nc2ccccc2s1 24805330 WAGUHZJXXDYARJ-GFCCVEGCSA-N 314.414 2.630 0 40 DFAB C[C@@H]1CN([C@H](CN)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 108350247 CJAJZFIMGRQREW-NQBHXWOUSA-N 318.339 2.694 0 40 DFAB CCCCOc1ccccc1NC(=O)N[C@H](C)C(=O)NCC 56750417 QSYRNJRTDRBORC-GFCCVEGCSA-N 307.394 2.512 0 40 DFAB CC(C)(C)c1nc(CSc2nc3sccc3c(=O)[nH]2)no1 26116680 GNBBBIMTGCUNBC-UHFFFAOYSA-N 322.415 2.957 0 40 DFAB COc1ccc(CCCCNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cc1 108106192 KYTOQXIEMGVYDB-IXDOHACOSA-N 318.417 2.637 0 40 DFAB CCONC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 22875311 ILVZEXKEXOFSLG-UHFFFAOYSA-N 317.364 2.962 0 40 DFAB CC[C@@]1(C)C[C@](O)(CCNCc2ccc(OC)cc2)CCO1 1831742 XIYRZHDDGQJIMA-ROUUACIJSA-N 307.434 2.885 0 40 DFAB biogenic C[C@@H](CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccsc1 91350210 KJWDIUJHBQNCPK-NWDGAFQWSA-N 324.471 2.850 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 58328194 MFKFESSBOMEMTE-HNNXBMFYSA-N 302.418 2.764 0 40 DFAB CC(=O)c1cccc(NC(=O)NCc2ccc(CO)c(F)c2)c1 58330347 USQAEAJUOUQSSI-UHFFFAOYSA-N 316.332 2.842 0 40 DFAB O=C(OCc1ccccc1F)c1c[nH]c(C(=O)N2CCCC2)c1 48340636 CPUYJLSGKXKBHX-UHFFFAOYSA-N 316.332 2.747 0 40 DFAB O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc2ccccc2n1 12873241 YKDGJXMMZPPEHH-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)[C@H]1CCCO1 69201046 XVMFOFVUVFZQHJ-XJKSGUPXSA-N 314.389 2.620 0 40 DFAB CN(CCC(F)(F)F)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 69384088 HPIGYMUNQUBQGE-JTQLQIEISA-N 324.343 2.797 0 40 DFAB COc1cc(C)c(CSc2nnnn2C2CC2)cc1OC 8328658 PWFNXDCLWAXHJN-UHFFFAOYSA-N 306.391 2.626 0 40 DFAB Cc1nnc(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)o1 49967823 DOGLXCUDBNKNHN-UHFFFAOYSA-N 314.433 2.819 0 40 DFAB Cc1cc(CN2CCN(Cc3ccccc3Cl)CC2)no1 39987626 QCAQJKQGMGIMOU-UHFFFAOYSA-N 305.809 2.954 0 40 DFAB Cc1cc(C)c(NC(=O)C(=O)NCCc2ccco2)c(C)c1 5251376 MGRMWIKQMLAYSF-UHFFFAOYSA-N 300.358 2.502 0 40 DFAB CC(C)n1ccc(=O)nc1SCC(=O)N1[C@H](C)CCC[C@H]1C 69583272 HMUZWQODINWRCR-CHWSQXEVSA-N 323.462 2.706 0 40 DFAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1 4503739 OOSKMRFPQNBYHH-LBPRGKRZSA-N 314.385 2.701 0 40 DFAB CC1(C)Cc2c(sc(NC(=O)N3CCCC3)c2C(=O)O)CO1 6719927 JBYMSWJHICFBAV-UHFFFAOYSA-N 324.402 2.925 0 40 DFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(C[C@H]2CCCO2)C1=O 7088441 GESJWHGVRIYUDY-KUHUBIRLSA-N 324.380 2.786 0 40 DFAB CC(=O)Nc1cccc([C@H](C)N[C@H](C)Cc2cc(C)[nH]n2)c1 90530977 BDNMRBRPGMNUEP-YPMHNXCESA-N 300.406 2.958 0 40 DFAB Cc1cc(NC(=O)NC(C)(C)CO)nn1-c1cccc(Cl)c1 96495719 LWUHNWKUXCCNBH-UHFFFAOYSA-N 322.796 2.727 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1cc(Cl)cs1)C2 72290540 GTDXDWBWNUEPSD-LBPRGKRZSA-N 323.849 2.970 0 40 DFAB O=C(NCc1ccsc1)N[C@H]1CCN(c2ccccc2)C1 72270072 YPTNPGCSCRKHBX-AWEZNQCLSA-N 301.415 2.826 0 40 DFAB COC(=O)c1coc(C(=O)N(Cc2cccnc2)C(C)C)c1 97135141 MRSHHBMLZNDQKU-UHFFFAOYSA-N 302.330 2.512 0 40 DFAB Cc1ccccc1OC[C@H](O)CN1CCOC2(CCCCC2)C1 75832722 ZPSUZAMNRQHGGK-QGZVFWFLSA-N 319.445 2.770 0 40 DFAB Cc1cc(C)cc([C@H](O)CN2CCC[C@@H]2c2noc(C)n2)c1 76042848 GBTHUYUZTUPXKO-HZPDHXFCSA-N 301.390 2.865 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cnccn2)cc1 76068523 VLDORUFXIGDIEC-WBVHZDCISA-N 311.385 2.683 0 40 DFAB C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccn2ccnc2c1 95445848 GMNLTBJTEWMGRZ-CYBMUJFWSA-N 309.369 2.791 0 40 DFAB CN1CCC[C@H](N2CC[C@H](CSc3ccccc3)C2)C1=O 95466131 KFQKTHHOBCNSSG-HOCLYGCPSA-N 304.459 2.721 0 40 DFAB COc1ccc(CCN[C@@H](c2ccncc2)c2nccn2C)cc1 95466811 WGHHZPCAUWVKIJ-SFHVURJKSA-N 322.412 2.745 0 40 DFAB C[C@H](CCN1CCCC1=O)NCc1cnc(C2CCC2)s1 95415477 ALNSXVDCRNLHMS-GFCCVEGCSA-N 307.463 2.901 0 40 DFAB O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cscn1 88268209 WQAZKIGEWQNLKZ-UHFFFAOYSA-N 311.366 2.605 0 40 DFAB COC(=O)CCN(C(=O)c1ccc(C)nc1)c1ccccc1C 95940962 LDIYWGUDDPDOPV-UHFFFAOYSA-N 312.369 2.908 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 75130365 RQJZIQXWQRVVJO-GFCCVEGCSA-N 304.419 2.779 0 40 DFAB Cc1[nH]c2ccccc2c1C1CCN(CC2(CO)COC2)CC1 75109408 IJRYKBYVOCRAOO-UHFFFAOYSA-N 314.429 2.665 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C 20461736 DYULTKIYRKRUKY-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB CC1=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)C(F)(F)F)C1 409337408 UNCDKUFESHASMG-SECBINFHSA-N 318.242 2.889 0 40 DFAB O=C(c1ccco1)N1CCn2c(-c3cccc(F)c3)cnc2C1 306127128 FPASZVHKPVHWOJ-UHFFFAOYSA-N 311.316 2.938 0 40 DFAB Cc1cc2cc(CNC(=O)[C@H]3CCn4cncc4C3)ccc2[nH]1 553408461 GVKXYJBITJXDOH-AWEZNQCLSA-N 308.385 2.552 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cs1 72134271 ATOXTGVCQCGLPC-INIZCTEOSA-N 322.430 2.805 0 40 DFAB Cc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446532 MMHQUHAESAWLPK-BRWVUGGUSA-N 301.411 2.570 0 40 DFAB CC(C)CN1CCC(c2nccnc2Nc2ncccn2)CC1 72363455 OIQBHWYNCTVMLS-UHFFFAOYSA-N 312.421 2.846 0 40 DFAB CN(CC(F)(F)F)C(=O)CNc1ncccc1C(F)(F)F 78340121 ZRSXKMXDEMPNMW-UHFFFAOYSA-N 315.217 2.533 0 40 DFAB COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1OC 43209999 OSPYVKUTNYBQCV-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccncc2)cc1 225269053 JXYJJJXLLWRKQX-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Oc2cnccn2)C1 225467948 UHJVOQPSTDENTI-AWEZNQCLSA-N 322.368 2.642 0 40 DFAB Cc1ccc(OC2CCN(c3ccc4nc(C)nn4n3)CC2)cc1 329642022 CUQPEROSTFWPIM-UHFFFAOYSA-N 323.400 2.789 0 40 DFAB COCc1cc(C(=O)NCc2ccccc2OC)ccc1OC 224401645 KOHCTIPCRDTIJQ-UHFFFAOYSA-N 315.369 2.780 0 40 DFAB Cc1nsc(N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)n1 195544273 CGIWZLWLSYDWKL-LBPRGKRZSA-N 322.821 2.742 0 40 DFAB Cc1cc(C)c(C(=O)O)cc1NC(=O)c1ncn(C(C)(C)C)n1 574522210 QUXHOKLHXMVNAD-UHFFFAOYSA-N 316.361 2.600 0 40 DFAB O=C(NCCc1nccs1)c1[nH]nc2c1CCc1ccccc1-2 95480883 MJOZXCDGDRJROE-UHFFFAOYSA-N 324.409 2.604 0 40 DFAB C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccco1 96486203 WUFIDRSQIXAJOC-NOZJJQNGSA-N 323.190 2.919 0 40 DFAB C[C@@H](C[S@](C)=O)NC(=O)Nc1cc(-c2ccccc2)ns1 97372465 IZRWWCFZQWWTHD-CHNSCGDPSA-N 323.443 2.699 0 40 DFAB COc1ccc(Cl)cc1CN1CCO[C@H](c2noc(C)n2)C1 95958048 TYHIIXXHFIOVKR-AWEZNQCLSA-N 323.780 2.614 0 40 DFAB C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2noc3ccccc23)[C@H]1C 529516765 JUXGUWBRGHZWHO-OVZMXSCWSA-N 302.374 2.546 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1ccn(C2CCCC2)n1 95429625 XHFHZYACUKSCTD-ZNMIVQPWSA-N 318.465 2.876 0 40 DFAB CC(C)COC(=O)N1CCC(C(=O)N2C[C@@H]3CC[C@H]2C3)CC1 96402814 YLNDTHVGZKMTNS-HIFRSBDPSA-N 308.422 2.502 0 40 DFAB c1cc(COC[C@H]2CN(Cc3ccoc3)Cc3cncn32)ccn1 247954699 LOXHFOHKJLQZBY-GOSISDBHSA-N 324.384 2.645 0 40 DFAB CCC(CC)C(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 257283259 OXMDKTDTGGNRIZ-ZDUSSCGKSA-N 304.438 2.736 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)ccn1 257278019 OAKXKXPGDQDLQB-HNNXBMFYSA-N 302.399 2.594 0 40 DFAB C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)O 252585026 FQFJLBRFLWVQNY-ZHAHWJHGSA-N 315.291 2.646 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CCC[C@H]2c2ccncn2)n1 257229732 FZGXIIMXJLHCCR-ZDUSSCGKSA-N 319.796 2.714 0 40 DFAB C[C@@H]1CCCN(c2cc(C(=O)N[C@@H]3CCOC3(C)C)ccn2)C1 295905662 NRZJPDRMSXJXPN-UKRRQHHQSA-N 317.433 2.615 0 40 DFAB COCCCNC(=O)Nc1cccc(Cl)c1-n1cccn1 47628051 RJFGWQDGCJQDQK-UHFFFAOYSA-N 308.769 2.684 0 40 DFAB Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)on1 55944833 YKKNKTBPNCVEBF-UKRRQHHQSA-N 304.321 2.772 0 40 DFAB COC[C@H](C)n1c(NCc2cccnc2)nc2ccccc2c1=O 69173300 GYUAXHNOBNIVJZ-ZDUSSCGKSA-N 324.384 2.611 0 40 DFAB O=C(Nc1cccnc1Cl)N1CCc2ccccc2[C@@H]1CO 79075983 UTQSNVGBNQXINM-AWEZNQCLSA-N 317.776 2.859 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 205704209 SMZBEGGLRLLERE-KPKJPENVSA-N 323.345 2.814 0 40 DFAB O=C(N1CCC(n2ccnn2)CC1)C12CC3CC(CC(C3)C1)C2 155684373 MTKLMUIHJPIZML-UHFFFAOYSA-N 314.433 2.658 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)nc1C 4661935 HIEVGMPPNSNHSK-UHFFFAOYSA-N 320.370 2.889 0 40 DFAB O=C(c1ncnc2c1CCCC2)N1CCC(C(F)(F)F)CC1 1888834143 DBNNXMUUPSOAAX-UHFFFAOYSA-N 313.323 2.770 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 20902689 IZZZYIBLRJGVNU-ZDUSSCGKSA-N 314.385 2.594 0 40 DFAB CCc1cc2c(NCc3nnc4ccccn34)ncnc2s1 24058792 QJYRFPQKKYHHCA-UHFFFAOYSA-N 310.386 2.909 0 40 DFAB CC1(C)COCCN1C[C@@H](O)c1ccc(Br)cc1 31912034 ZRJSGWMXSYEGFP-CYBMUJFWSA-N 314.223 2.593 0 40 DFAB CNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832086 YEPPHZHWAXOZQT-SNVBAGLBSA-N 301.217 2.951 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1 4272586 DZTXESDVNFVZBA-CQSZACIVSA-N 324.384 2.625 0 40 DFAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)C1CC1 9036436 AHKFLSJUSVCIQF-UHFFFAOYSA-N 310.353 2.827 0 40 DFAB Cc1ccc(-n2ncc3c(NC[C@@H](C)O)ncnc32)cc1Cl 10386343 NFAAVAMQQWLMPO-SNVBAGLBSA-N 317.780 2.570 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 40092377 CUQMGPXVJSYJBZ-LLVKDONJSA-N 317.776 2.517 0 40 DFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccs2)C1=O 40066704 BBRXRWMCYLTOMK-HNNXBMFYSA-N 322.336 2.994 0 40 DFAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1cc(F)ccc1F 40285528 HKKNVHGKXHKFQG-WBVHZDCISA-N 300.308 2.889 0 40 DFAB Cc1ccccc1OC[C@@H]1CN(CN2CCC(C)CC2)C(=O)O1 90401 DEKNTCSOHCZMAY-INIZCTEOSA-N 318.417 2.884 0 40 DFAB CCOCCCNc1ncnc2c1[nH]c1ccc(OC)cc12 2424261 IGRNHVAYUPNBCB-UHFFFAOYSA-N 300.362 2.958 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 36698015 CBQVVZVEZCEUQK-NSHDSACASA-N 320.348 2.504 0 40 DFAB COc1ccccc1CC(=O)C(O)(C(F)(F)F)C(F)(F)F 1639218 DSPRLNCWLPBSOB-UHFFFAOYSA-N 316.197 2.663 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 3417626 BVYLGHSPAFOEGY-UHFFFAOYSA-N 307.346 2.790 0 40 DFAB CN(C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 45950663 WTBCZKNBXYBVHV-UHFFFAOYSA-N 307.353 2.846 0 40 DFAB CCN(CC)C(=O)CSc1nnc(C)n1-c1cccc(C)c1 4187136 XSHKNLJLQJBVCB-UHFFFAOYSA-N 318.446 2.845 0 40 DFAB CCc1ccc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)cc1 4944180 MWMGTWRIMNUIEI-NSHDSACASA-N 315.398 2.528 0 40 DFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 6648386 MGKUWQKKPTUOPE-RAXLEYEMSA-N 318.398 2.639 0 40 DFAB COc1ccccc1C(=O)COC(=O)c1cccc(C)c1O 7700493 UNNRNVXJBDRAMH-UHFFFAOYSA-N 300.310 2.749 0 40 DFAB Cc1cccn2c(=O)cc(CN[C@@H](C)c3ccccc3F)nc12 32511140 FFTMNLQMCGIVPT-ZDUSSCGKSA-N 311.360 2.993 0 40 DFAB CCOCCCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C 21185181 PHLUXFLEXNWALB-UHFFFAOYSA-N 315.417 2.574 0 40 DFAB COc1ccc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 32760817 YOIUWCCQHPVONM-MRXNPFEDSA-N 319.788 2.741 0 40 DFAB O=C(NCc1ccccc1F)C1CCN(CC(F)(F)F)CC1 32932122 YCJWJHNKZBJCQR-UHFFFAOYSA-N 318.314 2.716 0 40 DFAB CS(=O)(=O)Nc1ccc(-c2noc(-c3ccccc3)n2)cc1 33276322 HVYIORDLFBHYSY-UHFFFAOYSA-N 315.354 2.775 0 40 DFAB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CCO1 22181789 HZXNIVXXWAWMCU-AWEZNQCLSA-N 309.365 2.779 0 40 DFAB COc1ccc(CNCc2cc3c(cc2OC)C[C@H](C)O3)cn1 42202887 XQIUCPHLTOQKKJ-LBPRGKRZSA-N 314.385 2.712 0 40 DFAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 104101333 INFMCOUPWJSICA-HOSILWTGSA-N 310.401 2.822 0 40 DFAB Cc1nc2sc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 12436909 MMEQBLLOUQIXGV-UHFFFAOYSA-N 301.371 2.693 0 40 DFAB Cc1ccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc1 12523102 WTIBQEVIYVPKNR-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB C[C@@H]1CN([C@H](CNCc2ccncc2)c2cccs2)CCO1 106908650 JDTXWODWPORFFB-GDBMZVCRSA-N 317.458 2.695 0 40 DFAB O=C(CC(F)(F)F)NC[C@H]1CCN(c2ccc(F)cc2)C1 57064164 GBMLCTFLEMSDEZ-SNVBAGLBSA-N 304.287 2.721 0 40 DFAB CCN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cccnc1 68303663 VQWQYQAMDACAJW-INIZCTEOSA-N 313.332 2.767 0 40 DFAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 3217861 MUVRSVJPFXXGQN-UHFFFAOYSA-N 315.712 2.927 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N[C@H](Cc1ccccc1)C(=O)O 3223713 NQIBXYDFKGIEAC-YCABEKBOSA-N 313.328 2.651 0 40 DFAB Cc1cccc(C)c1NC(=O)Cn1c(CO)nc2ccccc21 12649558 IXCYIVXDLGYURJ-UHFFFAOYSA-N 309.369 2.784 0 40 DFAB C[C@H](S[C@@H](C)c1c(F)cccc1F)C(=O)N1CCNC1=O 58251646 ZTJAYNFJUPABGO-IUCAKERBSA-N 314.357 2.699 0 40 DFAB Cc1nnc(S[C@H](C(=O)N(C)C)C(C)C)n1-c1ccccc1 58217024 VSWSHIFONURWMR-AWEZNQCLSA-N 318.446 2.781 0 40 DFAB NC(=O)c1cccc2c1CCCN2Cc1nc2ccccc2o1 44977463 VZRCPJCUHWRYNW-UHFFFAOYSA-N 307.353 2.880 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 44973609 DEDZWOYVSFBMTI-UONOGXRCSA-N 314.385 2.892 0 40 DFAB c1ccc(Cc2noc(CN(C[C@@H]3CCOC3)C3CC3)n2)cc1 44937923 BIQWSQOUBVLKNB-HNNXBMFYSA-N 313.401 2.661 0 40 DFAB COC(=O)NC1(C(=O)Nc2ccc3ccccc3n2)CCCC1 69393176 WRUDTLDHDDQKTA-UHFFFAOYSA-N 313.357 2.842 0 40 DFAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 12735001 JGQKXRAXHHTRBH-CQSZACIVSA-N 306.369 2.817 0 40 DFAB CS(=O)(=O)Cc1cccc(C(=O)N(C2CCCC2)C2CC2)c1 58723369 GHBBZUFJKFNYKP-UHFFFAOYSA-N 321.442 2.778 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@@H](C)C1 48367461 URWAPLQTDDRCCK-GFCCVEGCSA-N 303.406 2.961 0 40 DFAB COc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 12813092 PXXZZNMWCVAZKO-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 3404016 CDVCOTQAQZZHII-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2CCOc2cccc(F)c2)n1 69490339 NKLPBGIJNXZDRO-MRXNPFEDSA-N 318.396 2.577 0 40 DFAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)C2CCCCC2)C1=O 69438823 ILSHQKFERDTZTD-MRXNPFEDSA-N 320.414 2.665 0 40 DFAB O=C(O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 13167243 BDZKYBMEYBBHHA-UHFFFAOYSA-N 307.777 2.695 0 40 DFAB c1csc(-c2nc(CN[C@H]3CCc4ncnn4C3)cs2)c1 69491558 ZOBMUFLAZZCKRN-JTQLQIEISA-N 317.443 2.568 0 40 DFAB O=C(Nc1cccnc1)c1[nH]nc(C2CC2)c1Br 49157026 YVIMPCVWNJCBDN-UHFFFAOYSA-N 307.151 2.697 0 40 DFAB Cc1cnc(-c2nc(-c3cccc(NC(=O)C4CC4)c3)no2)cn1 69774367 PTOMSNCDJQEDLH-UHFFFAOYSA-N 321.340 2.851 0 40 DFAB Cc1cc(C(=O)NCCC(=O)Nc2ccncc2)c(C)s1 69557666 QPPPEUBFTODVBP-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1 69569276 DDYYLSVSPSKARK-INIZCTEOSA-N 316.445 2.928 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccccn1)c1ccc(Cl)cc1 14095703 OIDNYNBSLUMITA-CQSZACIVSA-N 318.760 2.769 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NO[C@@H]1CCCCO1 65512575 IGNBKNALPAIUIK-GOSISDBHSA-N 317.385 2.713 0 40 DFAB CCn1ccc(NS(=O)(=O)c2ccc3ccccc3c2)n1 14248946 HIMNCDIDTPDGMM-UHFFFAOYSA-N 301.371 2.857 0 40 DFAB CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(C)cc1 4604747 SZDMBDXSPYEWNA-UHFFFAOYSA-N 320.366 2.974 0 40 DFAB CCn1ncc(Cl)c1C(=O)NCc1ccc(OC)c(OC)c1 4784917 WQKGKCJPAAFLSN-UHFFFAOYSA-N 323.780 2.504 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)no1 7093885 GUEDJSOUVKIFQO-SNVBAGLBSA-N 316.386 2.989 0 40 DFAB Cc1ccc(NC(=O)C2(NC=O)C3CC4CC(C3)CC2C4)cc1 15414408 KMCGVUFQNRIAAM-UHFFFAOYSA-N 312.413 2.874 0 40 DFAB COC(=O)c1ccc(CCC(=O)N[C@@H](C)c2cccnc2)cc1 68232563 OHAGESDHKAWQPI-ZDUSSCGKSA-N 312.369 2.678 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1 25145547 FTDQQLOBWXZRKC-UHFFFAOYSA-N 318.352 2.517 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 8849159 AFZTTZDDMZHHQZ-HTQZYQBOSA-N 312.163 2.815 0 40 DFAB CC(=O)N[C@@H](C(=O)NCCSCc1ccc(C)cc1)C(C)C 9721662 HBFGDMBPRSVSON-MRXNPFEDSA-N 322.474 2.505 0 40 DFAB CC[C@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 9503823 XLEAPJCEYFIYSY-NSHDSACASA-N 315.369 2.575 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 76022419 NPLAYMCVKTXJCK-IMJJTQAJSA-N 306.406 2.544 0 40 DFAB c1ccc2sc(CN3CCCC[C@@H]3Cn3cncn3)nc2c1 71876169 ZDJJYVXEPCKWBJ-CYBMUJFWSA-N 313.430 2.943 0 40 DFAB Cc1cccc(COc2ccc(NC(=O)NCCO)c(C)c2)c1 71859256 LXTYZYSECUDZLE-UHFFFAOYSA-N 314.385 2.996 0 40 DFAB COc1ccc2oc(C)c(C(=O)O[C@@H]3C[C@@H](C)OC3=O)c2c1 84026965 PWEUGAYGGZZDPT-AMIZOPFISA-N 304.298 2.611 0 40 DFAB Cc1ccnc(NC[C@H](c2ccc(C)s2)N2CCOCC2)n1 72290378 JTCNINHWBHGPNI-CQSZACIVSA-N 318.446 2.640 0 40 DFAB CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 97054863 UKURWWJTIGOYHO-NEPJUHHUSA-N 312.435 2.703 0 40 DFAB CC(C)c1ccc(NC(=O)NCc2n[nH]c(=S)n2C)cc1 72313532 ROKNCLABMKJHSF-UHFFFAOYSA-N 305.407 2.923 0 40 DFAB O=C(N[C@@H]1CCSc2ccc(F)cc21)N(CCO)C1CC1 84459413 LIESIXQFXXYMJH-CYBMUJFWSA-N 310.394 2.529 0 40 DFAB Cc1c(NS(=O)(=O)CCc2ccccc2)cccc1C(=O)O 78737061 IAKYGEJBVJBDGG-UHFFFAOYSA-N 319.382 2.678 0 40 DFAB CC(=O)NCCCS[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 78758450 FRZHKLKRGFILBI-CHWSQXEVSA-N 320.458 2.612 0 40 DFAB Cn1cc([C@@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C)cn1 78985666 GRHQQKJRVWTBLT-CYBMUJFWSA-N 306.797 2.986 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1C[C@@H]1c1cccnc1 84613308 WAVWJWJJATYOCF-NEPJUHHUSA-N 323.381 2.737 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H]2CCCC[C@@H]2C1 95369257 MBRCRJPXTNTZQD-LSDHHAIUSA-N 301.386 2.997 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCc1cccc(C(=O)O)c1 95352022 JCEOFVPMAAMMEM-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccnc(F)c2)cc1 95458893 RGQTUCONVLLPFZ-ZBEGNZNMSA-N 318.348 2.735 0 40 DFAB C[C@@H](NC(=O)CSc1ccncc1)[C@@H](O)c1ccc(F)cc1 95430046 CEESVTHEBBSTKK-BDJLRTHQSA-N 320.389 2.551 0 40 DFAB CC[C@@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O 95404292 YYKWXQJSVSUHGF-INIZCTEOSA-N 316.401 2.815 0 40 DFAB CO[C@H](CNC(=O)NCc1cn2c(C)cccc2n1)C(C)(C)C 74166734 GAGOJLMSOJOPJX-CQSZACIVSA-N 318.421 2.503 0 40 DFAB Cc1cc(C)n(CCCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)n1 95995210 JUEYKSJAVGOXSX-AWEZNQCLSA-N 322.453 2.535 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)[nH]n2)c1 74629988 UKDHSJHTUROLOD-UHFFFAOYSA-N 321.340 2.682 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)c1cccc(N(C)C)c1 9917194 YYGXNPYCQSZPHH-UHFFFAOYSA-N 311.429 2.744 0 40 DFAB Cn1ncnc1Cn1c(COc2ccccc2)nc2ccccc21 75092391 LKOLEYOJIDJARC-UHFFFAOYSA-N 319.368 2.792 0 40 DFAB C[C@H](NC(=O)C1CCOCC1)c1nc(-c2cccnc2)cs1 75136651 CQFWWDORJXCJSK-NSHDSACASA-N 317.414 2.809 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1N1CCOCC1 61135270 STEVOMCBYVPOIB-GOSISDBHSA-N 322.408 2.941 0 40 DFAB CCOC(=O)N[C@H]1[C@H]2CC[C@@](C)([C@@H]1NC(=O)OCC)C2(C)C 3845975 QLDRUUOHQNVXRC-JBBSTSQOSA-N 312.410 2.672 0 40 DFAB biogenic C[C@H]1CO[C@@H](c2ccccc2)CN1CCCCC(=O)N(C)C 79090625 GCWDDRCEADKUPK-DOTOQJQBSA-N 304.434 2.707 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C\Nc2cccc(C)c2)C1=O 36636252 AXDICGSUHFNNSK-WQLSENKSSA-N 320.370 2.507 0 40 DFAB Cc1cc(C(=O)NC2CCCC2)nc(N2CCCCCC2)n1 72241487 GIXKQFXCMOSBMA-UHFFFAOYSA-N 302.422 2.838 0 40 DFAB CCN1CCN(c2cc(C)c([C@@H](N)c3ccccc3)cn2)CC1 72223638 TYJHXZSQYDFZBY-IBGZPJMESA-N 310.445 2.580 0 40 DFAB Cc1cc(C)nc(N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203218 XRFBAUVAIPSURB-CQSZACIVSA-N 320.437 2.929 0 40 DFAB COc1ccc(CN2CCC[C@@H](Cc3ccc(N)nn3)C2)cc1 72387382 NXWCPWHXNSCEBB-HNNXBMFYSA-N 312.417 2.522 0 40 DFAB CC(C)(C)SCCOC(=O)c1cccc(S(C)(=O)=O)c1 79037282 PFPGBWGBBBGPAG-UHFFFAOYSA-N 316.444 2.779 0 40 DFAB Cc1ccc(Cn2cc(Nc3ncnc4[nH]c(C)nc34)cn2)cc1 46087785 IINHOZOPRFHOBM-UHFFFAOYSA-N 319.372 2.958 0 40 DFAB C[C@@H](c1ccccc1)N1Cc2nc(N3CCCC3)ncc2C1=O 46088884 UCNACFSCCCXPJJ-ZDUSSCGKSA-N 308.385 2.794 0 40 DFAB S=C(NCCCc1ccco1)Nc1ccc2c(c1)OCO2 225804674 FGAOKUJFNNRAJX-UHFFFAOYSA-N 304.371 2.928 0 40 DFAB CC(=O)c1cccc(OC[C@H](O)COc2cccc(F)c2F)c1 95439067 UHWWHENFFRXAFS-ZDUSSCGKSA-N 322.307 2.986 0 40 DFAB COc1cc([C@H](C)NCCc2nnc3ccccn23)ccc1F 96489353 JYFXJJYVBGLIGS-LBPRGKRZSA-N 314.364 2.770 0 40 DFAB CCNC(=O)COc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 93501789 ZUSHCDJAAVVBOT-UONOGXRCSA-N 322.474 2.527 0 40 DFAB CCc1cc(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)on1 96421466 NJSGYWJCSMBMIY-IUODEOHRSA-N 309.410 2.632 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 257249949 JKJLEVSFFFSLMC-LBPRGKRZSA-N 300.362 2.526 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257276471 NTWHUPZYRZIDLG-GFCCVEGCSA-N 317.418 2.629 0 40 DFAB O=C1CCC[C@]2(CN(Cc3ccncc3)C[C@H]2c2ccccc2)N1 257203142 AOVUDWPHLJLSMG-AZUAARDMSA-N 321.424 2.720 0 40 DFAB Cc1ccc(CC(=O)N2CCC(c3cnccn3)CC2)s1 257275293 NORYZBROINEGDB-UHFFFAOYSA-N 301.415 2.795 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)Nc2cccs2)cc1 90611976 UWOUFDRNZXNSTM-CYBMUJFWSA-N 305.403 2.669 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)Oc1cccc(F)c1 46418297 JRPFNEWHZHUSTL-UHFFFAOYSA-N 313.288 2.809 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCCC[C@@H]1Cn1cccn1 69778757 DTZFNZAUOPNELN-CYBMUJFWSA-N 316.430 2.912 0 40 DFAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cnccn2)no1 96001225 VDGSOGREMLEWRU-ZDUSSCGKSA-N 315.377 2.741 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)no1 106509666 HZHGFHNNBLRHTQ-RHSMWYFYSA-N 320.364 2.699 0 40 DFAB Cn1cc(CCC(=O)NCc2cccc(CO)c2)c2ccccc21 89749913 RXIGQUQDSIVBPD-UHFFFAOYSA-N 322.408 2.920 0 40 DFAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2Cc2csc(C)n2)C1 1615191201 LYYAABCCIUBFFC-GDBMZVCRSA-N 307.463 2.674 0 40 DFAB CCc1nn(C)cc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 123864725 MHQOEITZBOHUAJ-STQMWFEESA-N 308.426 2.840 0 40 DFAB Cn1c(=S)c2nc(SCc3ccccc3)[nH]c2n(C)c1=O 17379721 KWLOEYMTVFFXIA-UHFFFAOYSA-N 318.427 2.622 0 40 DFAB CC(=O)N1CCC[C@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742394 RRZQDPPWVCCWHU-INIZCTEOSA-N 321.384 2.807 0 40 DFAB CC(=O)Oc1cs/c(=N\c2ccc(C(C)=O)cc2)n1C(C)=O 5375757 SOQWBTDWMBZCID-NXVVXOECSA-N 318.354 2.570 0 40 DFAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCc2ccccc2C1 23748670 VXFAFRRIURYQJS-CQSZACIVSA-N 312.417 2.849 0 40 DFAB COC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N 425200 HGEHMQDRYPCZEM-UHFFFAOYSA-N 302.327 2.915 0 40 DFAB O=S(=O)(c1ccccc1F)N1CCO[C@H](c2ccccc2)C1 12441578 GXGXMGZQHKZLKO-HNNXBMFYSA-N 321.373 2.588 0 40 DFAB CCc1ccccc1NC(=O)Nc1cnc(OC)nc1N(C)C 206729842 XAKTURWDGXVRIW-UHFFFAOYSA-N 315.377 2.758 0 40 DFAB O=C(NCc1ccc(Cl)cc1)N1CC(Oc2nccs2)C1 206922116 GQERUMGMBHVFBL-UHFFFAOYSA-N 323.805 2.769 0 40 DFAB CO[C@H](CNC(=O)c1ccc(Br)o1)c1ccco1 206860913 VEVNDWOIQVAJBU-SNVBAGLBSA-N 314.135 2.753 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@@H](OCCO)c1ccsc1 585150726 RRYSBOFPDFSDSI-VSZDKKFSSA-N 323.439 2.689 0 40 DFAB Cc1ccc(C)c(OCCCSc2nc(N)cc(N)n2)c1 29427153 NUEGWKPQQNOODJ-UHFFFAOYSA-N 304.419 2.819 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@@H]3CCC[C@H]32)n1 50121141 ZCKIJLNHAZPROY-VXGBXAGGSA-N 309.797 2.647 0 40 DFAB COc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1OC 116904 OJVAHJWDGCQYKM-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB biogenic O=c1[nH]ncc(NCc2ccc(OC(F)(F)F)cc2)c1Cl 40480233 FGWKPZIXZFRUMR-UHFFFAOYSA-N 319.670 2.934 0 40 DFAB Cc1ccc2ncn(Cc3nnc(-c4ccccc4)o3)c(=O)c2c1 40538860 QNVSDJQIULUEBZ-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB Cc1cc(C)n2ncc(C(=O)Nc3cccnc3Cl)c2n1 821001 QIPXVEDDGQFGBP-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB COc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 1943577 MSGMYOAEPXSUPH-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O 45945878 MEWWBUIWVWDESX-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=C(Cc1ccccc1F)NCc1ccc(-n2cccn2)cc1 32925610 KSABKTVVIQYGKT-UHFFFAOYSA-N 309.344 2.870 0 40 DFAB Cn1ccc2c(C(=O)N3CCC[C@@H]3Cn3cccn3)cccc21 69928413 ZCOMSZNDINOYPX-CQSZACIVSA-N 308.385 2.680 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CC[C@@H](CC)C(=O)O)cc1 552533 XTZMIYZBHFHFDT-LLVKDONJSA-N 307.346 2.693 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1F 22004598 UOGHACUXEGWSAM-UHFFFAOYSA-N 313.328 2.880 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N\Cc3ccccc3)oc12 100908094 OKVWRLONGBYCRL-CZIZESTLSA-N 308.337 2.641 0 40 DFAB COCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 23043409 YNMKDFGRWPEHQJ-CYBMUJFWSA-N 312.369 2.763 0 40 DFAB O=C([C@H]1CCCN1C(=O)c1ccco1)N1CCCCCCC1 60748947 MUGPBWUJYRDTQB-CQSZACIVSA-N 304.390 2.677 0 40 DFAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 23233212 IPUSUODKXWCLMV-SJLPKXTDSA-N 324.428 2.979 0 40 DFAB CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccc(F)cc1C)C2 108527436 ZDXDMXVFWUMGOL-SJLPKXTDSA-N 304.409 2.872 0 40 DFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cnn(C)c1 54811498 ASJKEAIVTSCZMV-UHFFFAOYSA-N 316.449 2.778 0 40 DFAB Clc1snnc1CN1CCCN(Cc2ccccc2)CC1 54992921 GLYFVGKADQRPLQ-UHFFFAOYSA-N 322.865 2.899 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCCC1 21143429 VUMHQDZEPXFJFJ-AWEZNQCLSA-N 316.401 2.724 0 40 DFAB Cc1csc(CNS(=O)(=O)c2ccc(F)cc2Cl)n1 43273101 CDZASJSUIBIAEX-UHFFFAOYSA-N 320.798 2.723 0 40 DFAB COc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 24254765 YNDAZHSXJUNQJS-UHFFFAOYSA-N 304.390 2.528 0 40 DFAB CSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 1398851 NECJBLRIDPENKU-UHFFFAOYSA-N 310.382 2.720 0 40 DFAB C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1c(F)cccc1F 1385988 RPJOHIMQXVEAAD-VIFPVBQESA-N 302.280 2.952 0 40 DFAB c1nc(Nc2ccc(N3CCOCC3)nc2)c2ccsc2n1 57452415 IZBWADYDNFLLFM-UHFFFAOYSA-N 313.386 2.667 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)CCCc2cccs2)cn1 47224060 TYDXEPWHCNRMSR-UHFFFAOYSA-N 324.427 2.508 0 40 DFAB CN(C)CC(C)(C)CNC(=O)c1csc(-c2ccoc2)n1 108255311 KRQXJKWBATYVPI-UHFFFAOYSA-N 307.419 2.721 0 40 DFAB O=C([C@@H](Nc1cccc(CO)c1)c1ccccc1)N1CCCC1 57756112 OJHAQZHSYYDGKD-SFHVURJKSA-N 310.397 2.955 0 40 DFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccccc1 10677956 JMFCYNJIYSVUCT-UHFFFAOYSA-N 321.380 2.910 0 40 DFAB CC(C)c1nc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c[nH]1 80773373 IUTLXUBMRBBOOQ-UHFFFAOYSA-N 317.414 2.774 0 40 DFAB O=C(O)[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 62118324 MZBGPMCYADJOCL-SNVBAGLBSA-N 316.184 2.859 0 40 DFAB COc1ccccc1OS(=O)(=O)c1ccc(F)c(F)c1 16090350 KIWUOOLUKVIBMB-UHFFFAOYSA-N 300.282 2.741 0 40 DFAB CCOc1ncccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 48206421 KCERPDOULHDNSR-LBPRGKRZSA-N 305.378 2.513 0 40 DFAB COc1ccc(-c2nc(COn3nnc4ccccc43)co2)cc1 12822871 HGNMLTSLETUYCN-UHFFFAOYSA-N 322.324 2.724 0 40 DFAB CSc1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 12932499 UUZIZDSKZVBYJK-SWLSCSKDSA-N 322.455 2.801 0 40 DFAB COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1 3555508 VDDJBRYRYNECLD-UHFFFAOYSA-N 312.369 2.714 0 40 DFAB COc1ccc(C)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 3567179 FHTXLDFQINDPSL-UHFFFAOYSA-N 319.382 2.659 0 40 DFAB COc1cc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)ccc1C 69624699 NZAALTZKUHVJLB-DLBZAZTESA-N 316.445 2.631 0 40 DFAB Cc1cc(N2CCOCC2)nc2c1c(C)nn2-c1ccccc1 49597436 KMADIGCCGQYAOY-UHFFFAOYSA-N 308.385 2.874 0 40 DFAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 64512049 NAXZAHFPAICETF-FXUDXRNXSA-N 311.337 2.657 0 40 DFAB CN(C)C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 69773415 XFCNBKUESVHECO-SNVBAGLBSA-N 323.746 2.521 0 40 DFAB Cc1nn(C)cc1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 5045022 JHDWHFFUUJQKLV-UHFFFAOYSA-N 301.434 2.903 0 40 DFAB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SC)nc2c1 6374473 DTZMYXSSAWLOCC-UHFFFAOYSA-N 306.387 2.561 0 40 DFAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1 4468851 QPXFNOWMNMDTGM-LJQANCHMSA-N 306.365 2.970 0 40 DFAB O=C1C[C@H](C(=O)NCCc2ccccc2)c2ccc(F)cc2N1 14051849 WRIWBYDRBZXIGU-HNNXBMFYSA-N 312.344 2.610 0 40 DFAB CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 65563155 FOEDWQDVMIJLFU-CYBMUJFWSA-N 321.446 2.718 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2cccnc2SC)c1 14122398 GTHRKPIFUPWLPL-UHFFFAOYSA-N 315.398 2.806 0 40 DFAB O=C(CN1CCCCCC1=O)OCc1nc2ccccc2s1 5538852 IUBCXAJVKLPNBU-UHFFFAOYSA-N 318.398 2.742 0 40 DFAB CC[C@@H](C)N(C)CCNC(=O)c1ccc(Br)cc1 66137767 AKZQNGVYGVOOHT-LLVKDONJSA-N 313.239 2.909 0 40 DFAB COC(=O)c1c(SC)nn(-c2nc3ccccc3s2)c1N 8715099 CZDPEFQWHPTMAY-UHFFFAOYSA-N 320.399 2.573 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cc2ccccc2o1 18235185 KIDDRZMOOPJUMC-UHFFFAOYSA-N 322.364 2.951 0 40 DFAB O=C(NCc1cccnc1)c1ccc(F)cc1Br 9322848 BDDUNZFUKKUCFT-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB O=C(NC[C@H]1OC=Cc2ccccc21)[C@@H]1COc2ccccc2O1 26895373 FFHPERKUCAAJIO-MSOLQXFVSA-N 323.348 2.685 0 40 DFAB CCc1ncc(C(=O)N2CCN(c3ccccc3F)CC2)s1 71830925 AHPUXIAAMBORLH-UHFFFAOYSA-N 319.405 2.807 0 40 DFAB Cn1ccnc1CN1CCC(CN2CCc3ccccc32)CC1 71897365 MQSFWKKYUHXPOC-UHFFFAOYSA-N 310.445 2.695 0 40 DFAB NC(=O)NCc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 9833612 WWVKJIBKUHYAQL-UHFFFAOYSA-N 320.352 2.655 0 40 DFAB Cn1cnnc1CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086446 WMMUIBOMAVMLGI-GFCCVEGCSA-N 310.323 2.823 0 40 DFAB CC(C)C[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2O)CC(=O)N1 97060135 WPAUCKCFWNSMTA-JQWIXIFHSA-N 324.808 2.925 0 40 DFAB Cn1cc(N2CCC[C@@H](N[C@H](c3ccccc3)C3CC3)C2=O)cn1 97034200 VXEPTPKPMBQIHI-QZTJIDSGSA-N 324.428 2.656 0 40 DFAB COC(=O)[C@H](Nc1ccc(C(N)=O)c(C)c1)c1ccccc1C 97148529 KEDAZLSSIQSSOM-MRXNPFEDSA-N 312.369 2.729 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 72311277 QYKJBZWYHWDPTI-MRVPVSSYSA-N 304.268 2.779 0 40 DFAB Cc1ccc2[nH]nc(C(=O)NCc3ccccc3CN(C)C)c2c1 97212090 XZLDIYSSTLENKZ-UHFFFAOYSA-N 322.412 2.863 0 40 DFAB C[C@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCCC1 78890424 CUQAPMLDWDSANG-DZGCQCFKSA-N 318.465 2.616 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@H]1CCC[C@@H]1O 78951754 CZKCQCKJFBSWHS-RISCZKNCSA-N 304.415 2.862 0 40 DFAB Cc1cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)C2CC2)c(C)s1 73736631 MNDNBEDDCAIPEG-XHDPSFHLSA-N 320.458 2.943 0 40 DFAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)cc1 95980971 XPWPHDFGYARZQO-GFCCVEGCSA-N 315.344 2.852 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@H]1CCC[C@@H](C2CC2)C1 89598064 LMNAFXICFSRNCA-KGLIPLIRSA-N 303.406 2.965 0 40 DFAB COC(=O)/C(C)=C/CSc1nc(-c2ccccc2F)n[nH]1 75148476 GBNJVKFNIHCUFL-VQHVLOKHSA-N 307.350 2.822 0 40 DFAB COc1ccc(CN(C)c2ncc(Br)cn2)cc1O 89635864 JHXHVFKNYXYTSX-UHFFFAOYSA-N 324.178 2.590 0 40 DFAB C[C@H](O)CN(Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 555377718 SPCGBWJSGLYCHB-KXBFYZLASA-N 317.404 2.612 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(N)c1 20343557 MIRUZAOBDZEPFI-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB Cc1nn(CCC(F)(F)F)cc1I 408716561 OHJPJDOEHDNEIV-UHFFFAOYSA-N 304.053 2.749 0 40 DFAB O=C(CN1CCC(O)CC1)Nc1ccccc1-c1ccccc1 32664925 WVDUWUKGYVLWLS-UHFFFAOYSA-N 310.397 2.749 0 40 DFAB O=C(Cc1ccc2n[nH]cc2c1)N1CCOC[C@@H]1CC1CCC1 515399796 SXFCUNQKQMVQIY-INIZCTEOSA-N 313.401 2.523 0 40 DFAB C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)c1ccco1 528624163 KWGLUIPXUHTITQ-ZDUSSCGKSA-N 301.390 2.913 0 40 DFAB Cc1ccc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1F 60362521 DSEVBWXIYQGANM-KRWDZBQOSA-N 324.359 2.897 0 40 DFAB COc1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)n1 31663271 LJMPXNSODOWIKS-VAWYXSNFSA-N 320.352 2.928 0 40 DFAB CC(C)N1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 72225621 OMUKJWDRROLVLC-IBGZPJMESA-N 310.445 2.660 0 40 DFAB Cn1c(SC2CCC3(CC2)OCCO3)nnc1C(F)F 131580170 CRYHWKZFHJQGTG-UHFFFAOYSA-N 305.350 2.531 0 40 DFAB COc1ccc([C@H](NCC(=O)NCc2ccco2)C(C)C)cc1 49580921 RCULSDYBZIEXND-GOSISDBHSA-N 316.401 2.891 0 40 DFAB CCOCCCNC(=O)c1cc2cccc(Cl)c2oc1=O 226040542 CHGUMJYMNLHGGL-UHFFFAOYSA-N 309.749 2.603 0 40 DFAB CC(C)CC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485802 GDTWADRJVMHVFI-AWEZNQCLSA-N 320.364 2.929 0 40 DFAB biogenic,in-vitro O=C(NCc1cccs1)NC[C@@H]1Cc2ccccc2CO1 225786491 DWXSGZCYGQNFKA-AWEZNQCLSA-N 302.399 2.689 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cccnc2)C1 96416083 QQXGUKUYPMOTHD-CABCVRRESA-N 323.396 2.733 0 40 DFAB CCc1nc(CNC(=O)Nc2nc(COC)cs2)cs1 96435565 NCBIIKLLLCSCEZ-UHFFFAOYSA-N 312.420 2.630 0 40 DFAB Cn1ccc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cc21 95479050 IPTCWFXGXVQZRE-INIZCTEOSA-N 319.364 2.992 0 40 DFAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1 96040911 CPIUKNXAKDBHHH-MCIONIFRSA-N 305.403 2.934 0 40 DFAB Cc1ccn2cc(C(=O)NC3(CC(=O)O)CCCCC3)nc2c1 532255670 LWZBAGMHTPQKGK-UHFFFAOYSA-N 315.373 2.550 0 40 DFAB CCc1noc(C2CCC(N[C@H]3CCC[C@]3(C)CO)CC2)n1 95996892 OHDMVFHUZJGYCW-TXBNBULBSA-N 307.438 2.799 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2ccccc2Cl)c1C(N)=O 96182117 YXRLXGDTZROIHN-UHFFFAOYSA-N 321.768 2.608 0 40 DFAB O=C1C[C@]2(CCCCN2C(=O)c2cccs2)CN1CC1CC1 96217365 HWYFLILGSMLZTP-QGZVFWFLSA-N 318.442 2.755 0 40 DFAB Cc1nn(C)c(C)c1CN[C@H](C)C[C@@H](O)c1ccc(F)cc1 96486370 NFSAHMCCAAULCG-PIGZYNQJSA-N 305.397 2.778 0 40 DFAB Cc1ccccc1CC(=O)Nc1ccccc1CN1CCNC1=O 96495933 NELLRWNCYUMIGS-UHFFFAOYSA-N 323.396 2.701 0 40 DFAB CCOC(=O)CN(C(=O)c1cc(C)nn1CC)C1CCCCC1 96412055 VJPOKNQCIYVNCC-UHFFFAOYSA-N 321.421 2.549 0 40 DFAB CNc1nccc([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 257273810 NIHIIEUMSRCBNL-MRXNPFEDSA-N 310.401 2.815 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2ccncc2C)C1 257208536 BMNYXRMRRQRHMT-HNNXBMFYSA-N 311.433 2.676 0 40 DFAB CC[C@@H](Cc1ccccc1)C(=O)NCc1nnc(C2CC2)n1C 542738122 RCSYKWNXESCDJY-AWEZNQCLSA-N 312.417 2.578 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccnc(-c3nc(C)cs3)c2)C1 257332814 XYUFJUCTQRRUEH-AWEZNQCLSA-N 301.415 2.924 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(F)s2)c(OC)c1 252492888 MWTFHOCUTFJVQM-UHFFFAOYSA-N 317.363 2.705 0 40 DFAB CO[C@@]1(COc2ccccc2C)CCCN(Cc2cnc[nH]2)C1 585275143 YFCIEUFBBXMBKV-SFHVURJKSA-N 315.417 2.778 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCCC(=O)N2CCCCC2)s1 54735183 IYTGJTXWCJUENW-CYBMUJFWSA-N 323.462 2.819 0 40 DFAB CCOc1ccccc1OC1CCN(C(=O)NC2CC2)CC1 55086262 OPYRFZAVGDAEGT-UHFFFAOYSA-N 304.390 2.801 0 40 DFAB COc1ccccc1-c1nc(C(=O)NCCCN(C)C)cs1 69808384 IREWQDULDYEKPR-UHFFFAOYSA-N 319.430 2.500 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)nc2O)C1 66776120 JOKRASXLBKKHHV-RKDXNWHRSA-N 302.296 2.924 0 40 DFAB O=C(Nc1cccnc1N1CCCCC1)N1CCSCC1 84357769 MNKBNJIHPYPOCC-UHFFFAOYSA-N 306.435 2.653 0 40 DFAB CC(C)(C)NC(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NC(C)(C)C 5368360 CTJANHPKWFNZAR-KPWCQOOUSA-N 306.450 2.644 0 40 DFAB CC(C)(C)c1ccc(OCCCC(=O)Nc2nc[nH]n2)cc1 5831798 SQOJGGSADMADNO-UHFFFAOYSA-N 302.378 2.900 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@](=O)C2 212234 RAULSRBKYYKGIF-OAQYLSRUSA-N 309.435 2.529 0 40 DFAB CCOC(=O)N1CCN(c2cnc3cc(Cl)ccc3n2)CC1 858309685 GEEHNWCZSOBAAT-UHFFFAOYSA-N 320.780 2.562 0 40 DFAB Cc1ccc(NC(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1C 1565522415 PJFDIIOXZIZHOS-QGZVFWFLSA-N 317.433 2.632 0 40 DFAB COc1ccc(-n2nnc(C(=O)OCc3ccccc3)c2C)cc1 12415560 PBHJAUHCELTRHB-UHFFFAOYSA-N 323.352 2.941 0 40 DFAB CN(Cc1ccncc1)[C@@H]1CCC[C@H]2CN(c3ncccn3)C[C@@H]21 2053600808 ZNDMEKYWEMTVBW-OKZBNKHCSA-N 323.444 2.609 0 40 DFAB O=C(COc1ccccc1F)NCC[C@H](O)c1ccsc1 217528888 OVOWAZIPUOYRHV-ZDUSSCGKSA-N 309.362 2.506 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCC2(CC1)OCCCO2 49705912 RUVWQZOIJCJQKH-UHFFFAOYSA-N 313.756 2.848 0 40 DFAB CCC(=O)N1CCc2nc3ncc(Br)cc3cc2C1 2298048318 VRYRNONNGUFCPY-UHFFFAOYSA-N 320.190 2.687 0 40 DFAB c1cncc(OCC2CN(c3nccn4nc(C5CC5)cc34)C2)c1 2298219182 WTFPLUDISTXILF-UHFFFAOYSA-N 321.384 2.517 0 40 DFAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1 85559010 PWMYSWJVEBKKMK-OAHLLOKOSA-N 323.348 2.831 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccnc(N3CCCC3)c2)c1 40049920 ZJTOQUVWZPKRGR-UHFFFAOYSA-N 311.385 2.626 0 40 DFAB CCN(CCO)[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 1667057 CTWREZPMNIHLLW-RTBURBONSA-N 315.413 2.784 0 40 DFAB O=C(CC(Cc1ccccc1)(C(=O)O)C(=O)O)c1ccccc1 1684906 HJLLKGQASYBCEB-UHFFFAOYSA-N 312.321 2.658 0 40 DFAB CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 264099 WZKYZPCXSKQOOU-UHFFFAOYSA-N 312.325 2.986 0 40 DFAB O=S(=O)(Cc1ccc(Cl)cc1)Cc1nc(C2CC2)no1 46117286 OCDIHXFZPYTQPE-UHFFFAOYSA-N 312.778 2.715 0 40 DFAB O=C(O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1 11852029 GUFOWAJSYAVIEO-UHFFFAOYSA-N 314.360 2.846 0 40 DFAB CC[C@H](C(=O)c1ccccc1)[C@H]1[C@H](C(=O)OC)C(=O)OC1(C)C 4694058 NFEGGKGCZVDQJD-MJBXVCDLSA-N 318.369 2.636 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987188 KFEUWXIJZMHHPO-ZDCRXTMVSA-N 315.339 2.993 0 40 DFAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(Cl)c[nH]1 32768959 XFCJDLQULZFOQD-UHFFFAOYSA-N 324.764 2.624 0 40 DFAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CC1 8077179 STQPMUXXAWRTDK-KRWDZBQOSA-N 308.381 2.826 0 40 DFAB COc1cccc(N2CCN(c3ccnc(C4CC4)n3)CC2)c1 110113202 IBWQEPANQVLQCB-UHFFFAOYSA-N 310.401 2.689 0 40 DFAB Cc1nc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)sc1C 100279046 UFJVFFSFEDKRCA-HUUCEWRRSA-N 308.403 2.820 0 40 DFAB COc1cc(C(=S)NC2CCCCC2)ccc1OCC(=O)O 9188063 WKWVRXOTYZRERY-UHFFFAOYSA-N 323.414 2.756 0 40 DFAB COc1ccc(OCC(=O)N2CCc3sccc3C2)cc1 12215832 RFGOGHLJJWXBRK-UHFFFAOYSA-N 303.383 2.720 0 40 DFAB Cc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)o1 523607 IISZEJOUVWMWQR-ZROIWOOFSA-N 323.377 2.576 0 40 DFAB CCCn1ccnc1SCc1nc2ccccc2c(=O)[nH]1 22087972 MRYYCIKWTGIMCV-UHFFFAOYSA-N 300.387 2.822 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 42037780 JMXJAADACIIFQA-ZDUSSCGKSA-N 314.385 2.892 0 40 DFAB C[C@@H](NC(=O)c1ccccc1Cn1cncn1)[C@@H]1C[C@H]2CC[C@H]1C2 105823425 RQECQHDIZNYKAO-LLDVTBCESA-N 324.428 2.881 0 40 DFAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1 113970954 KRVXYRPMBLBTPD-KRWDZBQOSA-N 304.434 2.671 0 40 DFAB C[C@H](NC(=O)NCc1cccnc1N(C)C)c1cccs1 47973467 RINGLXLFDXXBGX-NSHDSACASA-N 304.419 2.770 0 40 DFAB O=C([C@H]1CCc2ccccc21)N1CCC(Nc2cccnn2)CC1 69655208 GFBLUTORPXEIMJ-KRWDZBQOSA-N 322.412 2.610 0 40 DFAB Cc1cccc(NC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 27348855 FCWGGRRGWHVFAD-UHFFFAOYSA-N 313.357 2.578 0 40 DFAB COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1C 65743365 KXXOKPYARUONDX-UHFFFAOYSA-N 309.325 2.983 0 40 DFAB in-vitro Cc1nc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)s1 44866207 BEAPBSVGQXIWQG-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(C)cc1Br 58282670 SVHUFEWEHBYNFX-VIFPVBQESA-N 301.184 2.914 0 40 DFAB Cc1nc(-c2ccc(CCNC(=O)c3cnccn3)cc2)cs1 12620981 MBQHEZWLCDIKOF-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB CC(C)CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 58342138 JYRUFMMXDGZIGQ-AWEZNQCLSA-N 321.440 2.801 0 40 DFAB COc1ncccc1CN1CCn2c(-c3ccco3)cnc2C1 306124531 BSUOMFIDMJGQJF-UHFFFAOYSA-N 310.357 2.563 0 40 DFAB COC(=O)C1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 12850833 HIZHZAJDYBZSLW-UHFFFAOYSA-N 314.385 2.810 0 40 DFAB NC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 3438266 CJCAWWVUNRPCMI-UHFFFAOYSA-N 300.383 2.657 0 40 DFAB CN(C)c1c(Cl)cccc1NC(=O)NCCCn1cccn1 48738603 QUTXRHRNXVAYNL-UHFFFAOYSA-N 321.812 2.814 0 40 DFAB C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(F)cc1 69769357 QGDGQZHNDKWHPD-LBPRGKRZSA-N 317.368 2.525 0 40 DFAB N[C@@H](CC(=O)c1sc(Cl)c(Cl)c1Cl)C(=O)O 4029037 QOAMMBGWLWUOGJ-REOHCLBHSA-N 302.566 2.693 0 40 DFAB biogenic CC(C)(C)c1nc(CN2CCC[C@H](Cn3cncn3)C2)cs1 69848459 OVJAMNPSXNIIKV-ZDUSSCGKSA-N 319.478 2.944 0 40 DFAB c1ccc(COc2ccccc2CNCCn2cccn2)nc1 69927308 KPVAUVPYTLTUJV-UHFFFAOYSA-N 308.385 2.647 0 40 DFAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCC1 5127302 ZXQSPUCCBAGTGK-UHFFFAOYSA-N 305.418 2.805 0 40 DFAB Cc1nccc(C(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)n1 69948788 IHTWSOGMPZMXMT-AWEZNQCLSA-N 313.405 2.582 0 40 DFAB O=C(O[C@H]1CCOC1=O)c1cc2c(s1)-c1ccccc1OC2 5305183 XDYVDYMKIRBSSM-LBPRGKRZSA-N 316.334 2.780 0 40 DFAB Cc1cc(O[C@H](C)C(=O)NCCCN(C)C)cc(C)c1Cl 408705953 RDQLOMWFMWOQHO-CYBMUJFWSA-N 312.841 2.792 0 40 DFAB Cc1cc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c(C)c1 6610372 RJRHXQKWNUNOLY-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB COCCNc1nc2ccccc2n1CC(=O)c1ccccc1 4741736 YGMXSKRJRNNECX-UHFFFAOYSA-N 309.369 2.978 0 40 DFAB Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2ncc[nH]2)C1 67696660 ZCFCZZNSKFHXNU-ZDUSSCGKSA-N 304.825 2.988 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccnn1Cc1cccs1 7987814 JLBFQYDMLMYGLJ-UHFFFAOYSA-N 316.386 2.779 0 40 DFAB Cc1nc(CNC(=O)NCCc2ccc(N(C)C)cc2)cs1 69369969 QWEXMVWNJPGGMB-UHFFFAOYSA-N 318.446 2.559 0 40 DFAB O=C(NCc1nnc2ccccn12)c1csc2ccccc12 9317025 DFQQZUQQWIRAIL-UHFFFAOYSA-N 308.366 2.874 0 40 DFAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ncccn2)C1 9420800 BVPPVSUODHIOIW-MRXNPFEDSA-N 314.433 2.700 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 71870879 DJDNTGMZTLZJEL-OAHLLOKOSA-N 318.446 2.671 0 40 DFAB O=C(CCSc1ccccn1)N1CCO[C@H]2CCCC[C@@H]21 87134190 OPBPAAYCKPIZFJ-KBPBESRZSA-N 306.431 2.734 0 40 DFAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cc[n+]([O-])cc1 84052784 AEKNCYLRBFDWHJ-UHFFFAOYSA-N 310.309 2.640 0 40 DFAB CC(C)=CC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 84146306 LYONTGBSPGBEMC-HNNXBMFYSA-N 303.402 2.993 0 40 DFAB C[S@](=O)c1ccc(NC2CCN(c3nccs3)CC2)cc1 97080871 AZCWMNFHLGXSPS-OAQYLSRUSA-N 321.471 2.961 0 40 DFAB CCCn1c(C)nnc1COC(=O)c1cncc2ccccc12 97084316 YMONIVXDQPYAKH-UHFFFAOYSA-N 310.357 2.902 0 40 DFAB CC(=O)NCC(=O)Nc1ccc(F)cc1Nc1ccccc1F 97085001 FLVJITXYUBTPSE-UHFFFAOYSA-N 319.311 2.783 0 40 DFAB Cc1nnc(-c2ccccc2C(=O)NCC[C@H]2CCCCO2)o1 97080034 CQFTWRVHQLPYSY-CYBMUJFWSA-N 315.373 2.734 0 40 DFAB C[C@@H](CCCOc1ccccc1C(N)=O)NCCc1ccco1 97162707 CYAVWSNOBCKTDS-AWEZNQCLSA-N 316.401 2.758 0 40 DFAB CCc1oc(C(=O)N2CCOC[C@@H]2c2cccn2C)cc1C 97144008 BJLJKMLUASFCJO-CQSZACIVSA-N 302.374 2.703 0 40 DFAB CCCc1cc(C(=O)Nc2cc(F)c(F)c(C(=O)OC)c2)[nH]n1 72312798 KTDBUWCCMYUTSE-UHFFFAOYSA-N 323.299 2.679 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(Br)c(OC)c1 84640395 OVGNJJAFOMPYAI-QMMMGPOBSA-N 317.183 2.614 0 40 DFAB c1ccc(-n2cc(CNCCc3cn4c(n3)CCCC4)cn2)cc1 97731816 WFBDIMWNZVLRRE-UHFFFAOYSA-N 321.428 2.737 0 40 DFAB CC[S@](=O)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 95431230 JHYJZTSEWRGSDN-VVVCHXIZSA-N 318.236 2.853 0 40 DFAB COCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)CCCC1 95415269 YOTYHEPVVUGWKA-GVDBMIGSSA-N 320.477 2.526 0 40 DFAB CCn1nccc1CNC(=O)c1c(C)nn(-c2ccccc2)c1C 28237021 SFRPTPIAHIJFHR-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB CCCCC1CCC(NC(=O)N2CCC[C@H]2C(=O)NC)CC1 95974047 XBFDTAILNVLOFW-NRXISQOPSA-N 309.454 2.655 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cccnc2)C1 75126661 JFGYXAQRCCEEQK-OAHLLOKOSA-N 305.422 2.913 0 40 DFAB CCN(C)[C@H](C(=O)Nc1nc(C(C)C)n[nH]1)c1ccccc1 68344694 MXACZWSSAWTOND-ZDUSSCGKSA-N 301.394 2.560 0 40 DFAB O=C(c1ccc(F)cc1)[C@H](CN1CCNCC1)c1ccccc1 20478043 SCRCNTHGYYOTET-GOSISDBHSA-N 312.388 2.697 0 40 DFAB CCCOc1c(I)cc(CO)cc1OC 409112226 CANSZPCZOXBFDA-UHFFFAOYSA-N 322.142 2.581 0 40 DFAB Cc1c(CNC(=O)N[C@H](C2CCCC2)C(F)(F)F)cnn1C 128179833 BNKXCLDACNCGKM-GFCCVEGCSA-N 318.343 2.649 0 40 DFAB COc1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1CO 184966564 DTQSPVIZLCPFHC-UHFFFAOYSA-N 311.259 2.857 0 40 DFAB O=C(CCCc1ccccn1)Nc1ccc(-n2nccn2)cc1 78520125 ALTMTIWOAGRDFE-UHFFFAOYSA-N 307.357 2.624 0 40 DFAB Cn1cc([C@H](OC(=O)c2cccc3cn[nH]c23)C(F)(F)F)cn1 73839678 VGZCQVVISDZLRT-LBPRGKRZSA-N 324.262 2.757 0 40 DFAB FC(F)(F)Cn1ccnc1CNc1nnc(-c2ccncc2)o1 184890048 RWGROSVTPLMNRB-UHFFFAOYSA-N 324.266 2.503 0 40 DFAB O=C(Cc1cccc(F)c1)OCC(=O)N1CCc2ccccc21 72333762 VDCUKUXMPNHQHE-UHFFFAOYSA-N 313.328 2.501 0 40 DFAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1nc2cc(Cl)ccc2n1C 183584973 VHEZCLDEIFTQFK-GMXVVIOVSA-N 305.809 2.814 0 40 DFAB Nc1cccc(Cl)c1N1CCN(C(=O)c2ccccc2)CC1 72230104 NDMIYZAKQQEHCJ-UHFFFAOYSA-N 315.804 2.885 0 40 DFAB Cc1ccc2cnn(CCC(=O)NCCc3ccc(C)o3)c2c1 40759233 OLFLHKAFYJSWFH-UHFFFAOYSA-N 311.385 2.995 0 40 DFAB COc1ccc(-c2cnc(CCC(=O)N3CCCC3)o2)cc1 224853084 BLOMVFIYNZNPCB-UHFFFAOYSA-N 300.358 2.905 0 40 DFAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)c1cc(C2CC2)on1 225789286 LZXSUBLKYOGSPK-HNNXBMFYSA-N 312.369 2.766 0 40 DFAB COc1cccc(OCCNC(=O)Cc2ccc(F)cc2)c1 45450704 VUQZPSXTYOVHGR-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB C[C@@H](CNC(=O)CCc1ccccn1)Oc1ccc(F)cc1 80760889 YIGJPAQSYNBQQV-ZDUSSCGKSA-N 302.349 2.737 0 40 DFAB CCCOC(C)(C)C(=O)Nc1ccc(OCCOC)nc1C 225903082 DHWYRHMWPSDXOE-UHFFFAOYSA-N 310.394 2.559 0 40 DFAB COC1(CNC(=O)c2ccc(F)c(F)c2)Cc2ccccc2C1 225718951 DOYJDPPLRBWFDN-UHFFFAOYSA-N 317.335 2.879 0 40 DFAB Nc1nn(-c2ccccc2C(F)(F)F)nc1Br 89262590 PEPAIABXTCIJRY-UHFFFAOYSA-N 307.073 2.631 0 40 DFAB O=C(c1c[nH]nc1-c1ccccc1F)N1CCCSCC1 87129792 XMALELCVADMJSM-UHFFFAOYSA-N 305.378 2.795 0 40 DFAB CN1CCN(CCCSc2nnc(C3CCCCC3)o2)CC1 195568235 RHUHNFCOIYWGCU-UHFFFAOYSA-N 324.494 2.847 0 40 DFAB CS(=O)(=O)CCN1CCC[C@@H]1[C@@H]1CCCc2ccccc21 96452066 MGASLQPRBUAIBD-IAGOWNOFSA-N 307.459 2.616 0 40 DFAB C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnc2ccsc2c1 532331398 OLTHBCCDWVVPTH-QMTHXVAHSA-N 301.415 2.509 0 40 DFAB CC(C)c1cc(C(=O)NCc2ccc(F)cc2)nc(N(C)C)n1 96101241 LFQNSKRGISXIDR-UHFFFAOYSA-N 316.380 2.735 0 40 DFAB CC(C)COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)cn1 96408108 WSSHIWCLVCCJDL-CABCVRRESA-N 314.389 2.592 0 40 DFAB c1cncc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)c1 96048239 DSOSNTRTQXYLJG-ROUUACIJSA-N 314.385 2.877 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c2c1 257241882 IABCMNVXIZOTQE-LBPRGKRZSA-N 324.384 2.919 0 40 DFAB Cc1cccnc1Nc1cc(C2CCN(CCO)CC2)ccn1 257331231 XRXPHJLQOIUVEG-UHFFFAOYSA-N 312.417 2.700 0 40 DFAB Cc1cccc(N2CCC[C@H](NC(=O)Cc3cccs3)C2)n1 257319671 VTOKWIPKVGVTMW-AWEZNQCLSA-N 315.442 2.779 0 40 DFAB O=C(NCc1nccn1-c1ccccc1)[C@H]1C[C@@H]1c1cccnc1 252490870 LDJWFJPQNWKQIA-SJORKVTESA-N 318.380 2.687 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@@H](c2ccncn2)C1 257252265 JUDZHHPRNBAABJ-OAHLLOKOSA-N 313.376 2.955 0 40 DFAB CC(C)Oc1cccc(CN2CCC3(CC2)OCCC[C@H]3O)c1 257309858 UCRJOWIOCAKPNI-GOSISDBHSA-N 319.445 2.980 0 40 DFAB Cn1cc([C@@H](O)CNC(=O)c2ccsc2)c2ccccc21 96096403 FHVOECGAOOYAMQ-HNNXBMFYSA-N 300.383 2.703 0 40 DFAB CC(C)N1CCc2oc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2C1 585112038 KKBWJCQGCLMYFD-BETUJISGSA-N 305.422 2.559 0 40 DFAB CCOC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 53399144 WJOKNASUGGYHGQ-AWEZNQCLSA-N 305.374 2.548 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1ccnc(OCc2ccccc2)c1 53808985 HAFRZMDSARFBGL-UHFFFAOYSA-N 321.336 2.601 0 40 DFAB CC(=O)N1CCc2cc(C(=O)Nc3[nH]nc(C4CC4)c3C)ccc21 64347288 FLDLEGRIUIIACS-UHFFFAOYSA-N 324.384 2.757 0 40 DFAB CC(C)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 64463460 ZOTCKSQYXQXORN-UHFFFAOYSA-N 323.194 2.683 0 40 DFAB Cc1ccc(C)c(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)c1 69528194 DGWUOWCHESFAKB-GOSISDBHSA-N 309.369 2.666 0 40 DFAB CC1CCN(C(=O)c2ccc(I)o2)CC1 1448403 PPFMIYOHCZGMLC-UHFFFAOYSA-N 319.142 2.756 0 40 DFAB CCc1nnc(NC(=S)NC(=O)c2ccc(C)c(C)c2)s1 5667916 YUCVBVHBLNAFMI-UHFFFAOYSA-N 320.443 2.844 0 40 DFAB Cc1ncc(-c2ccncc2)c(CCNC(=O)[C@@H]2CC=CCC2)n1 13228101 ULIFAUOSXFRFFH-MRXNPFEDSA-N 322.412 2.862 0 40 DFAB O=C(Nc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 13689658 MVIQNKSXTYJUGE-QGZVFWFLSA-N 317.433 2.795 0 40 DFAB CC[C@H](C(=O)c1ccccc1)[C@H]1[C@@H](C(=O)OC)C(=O)OC1(C)C 15320990 NFEGGKGCZVDQJD-IHRRRGAJSA-N 318.369 2.636 0 40 DFAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1 16452827 OJQIXPQOTLINGR-LLVKDONJSA-N 319.434 2.936 0 40 DFAB FC(F)(F)c1ccc2c(I)[nH]nc2n1 206056258 VCSBGWMGCNDHCF-UHFFFAOYSA-N 313.020 2.581 0 40 DFAB CC(=O)NC(=S)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226350386 MRUFFTMYKCZQJA-UHFFFAOYSA-N 318.354 2.786 0 40 DFAB O=C(CSc1ccc(F)cc1)NC(=O)NCc1ccco1 2620051 QFUMENDTLQCJKQ-UHFFFAOYSA-N 308.334 2.537 0 40 DFAB COc1cc(CNCc2csc(C)n2)cc(OC)c1OC 20548296 UYFUFIBCAZKFNB-UHFFFAOYSA-N 308.403 2.767 0 40 DFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccn1 24226078 AFNPUHVKHFIGNH-UHFFFAOYSA-N 306.369 2.599 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056225038 WROKRYKWVIRRCD-UCMVZMLTSA-N 316.376 2.801 0 40 DFAB Cc1cccc(F)c1C(=O)N1CC2(CCN(CC(C)C)C2)C1 1073488203 UYIOGIBVAHCYOR-UHFFFAOYSA-N 304.409 2.938 0 40 DFAB COc1cccc(C(=O)Nc2nnc(SC)s2)c1OC 364167 XKYXBJQZAZYGQJ-UHFFFAOYSA-N 311.388 2.530 0 40 DFAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 4263883 BYJNAQJSYGQDIS-UHFFFAOYSA-N 324.336 2.610 0 40 DFAB CO[C@H](CCSC)CNC(=O)c1ccc(Br)o1 1775967261 VSRVDGQBSBOPMN-MRVPVSSYSA-N 322.224 2.540 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NCCCn3cccn3)cc2C1 40072033 RMFDBXRODMHPOX-GFCCVEGCSA-N 303.431 2.890 0 40 DFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2)cc1 131908 UWJLSDLQOOXMAX-FMIVXFBMSA-N 311.337 2.890 0 40 DFAB Oc1nncc(N2CCc3ccccc3C2)c1Br 113857 HYZYLXUHQMXGGX-UHFFFAOYSA-N 306.163 2.507 0 40 DFAB Cc1cnn(CCNC(=O)c2cccnc2SC(C)C)c1 89702488 GDQHXNQIRVLSKG-UHFFFAOYSA-N 304.419 2.517 0 40 DFAB O[C@H]1CN=C2CCCc3c2n(c2c(Br)cccc32)C1 87004 XVUZHXVUDZTHDC-VIFPVBQESA-N 319.202 2.904 0 40 DFAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 411073 MDEPGIRDBNXJOE-UHFFFAOYSA-N 302.403 2.732 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 69457782 GICTWCUFVSPOMV-LBPRGKRZSA-N 324.371 2.733 0 40 DFAB COc1ccccc1C(=O)Nc1cccc(N2CCOC2=O)c1 31927922 LTSWCLUCRCEDIT-UHFFFAOYSA-N 312.325 2.904 0 40 DFAB O=C1c2[nH]c3ccccc3c2C[C@@H]1N1C(=O)c2ccccc2C1=O 1744154 WDNNJVLODKBFAB-HNNXBMFYSA-N 316.316 2.572 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CNc1ccc(Cl)cc1 102086567 NBGJCEYBBDRFLF-NUZBWSBOSA-N 304.777 2.741 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 101376706 IPDBSUZSHWFZDN-NWJSVONSSA-N 324.163 2.826 0 40 DFAB CN(CC(=O)NC(C)(C)C)Cn1c(=S)n(C)c2ccccc21 52582607 JRMFPWBCFMKIDE-UHFFFAOYSA-N 320.462 2.513 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](C)COc1ccc(F)cc1F 55698864 XMOQJTARBVIYGG-MRVPVSSYSA-N 310.300 2.767 0 40 DFAB CC[C@H](C)C(=O)N[C@@H](C)CCN1CCN(c2ccccc2)CC1 41617288 OERGEODDOUMPBO-IRXDYDNUSA-N 317.477 2.750 0 40 DFAB O=C(NCc1cccnc1)c1c[nH]c2ccc(Cl)cc2c1=O 12323513 ZTJHCFYPEPKFJN-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2C(=O)O)c1 47202329 VUDRRYZFRCKQLK-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)Nc3ncccc3O)o2)cc1 23055358 AVXKHEDWVDSAHE-UHFFFAOYSA-N 324.340 2.717 0 40 DFAB Cc1ccc2c(CC(=O)OCC(=O)N3CCCCC3)coc2c1 104633751 MQJUSPULWIKHNB-UHFFFAOYSA-N 315.369 2.839 0 40 DFAB CNC(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 54452587 LLDYGGGUQVSXBA-UHFFFAOYSA-N 321.336 2.954 0 40 DFAB Cc1ccc(SCCNC(=O)CCc2cnn(C)c2)cc1C 54811807 XDLIWFLUTPJXJQ-UHFFFAOYSA-N 317.458 2.878 0 40 DFAB O=C(NC1CCC(O)CC1)N[C@H]1CCc2cc(Cl)ccc21 55089423 LQAUFLVCSWHOEA-PIMMBPRGSA-N 308.809 2.930 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccn(C)c1 96003623 XQMPYSMIYUJVKS-ZIAGYGMSSA-N 307.438 2.855 0 40 DFAB CCOC(=O)c1cnc2c(Cl)c(C)nn2c1C(F)(F)F 1393609 NGEVRDGIHLYOEY-UHFFFAOYSA-N 307.659 2.887 0 40 DFAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cccc2cnccc12 106762319 CJWIZROFHSTQFH-YDHLFZDLSA-N 323.396 2.726 0 40 DFAB CN(Cc1nccn1C(F)F)Cn1nc2ccccn2c1=S 12535773 JAXAVVYBQMILMN-UHFFFAOYSA-N 324.360 2.546 0 40 DFAB CCCC[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O 35085539 HLWDZYYWCSAAEB-CQSZACIVSA-N 313.419 2.732 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)on1 108141426 GZIJBJXLVRVSRF-HIFRSBDPSA-N 319.792 2.812 0 40 DFAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)cc1 10017824 NENYIWNUXIPTLE-GOSISDBHSA-N 312.413 2.793 0 40 DFAB COc1ccc(CNCCn2c(C)nc3ccccc32)cc1O 58245525 GLKAIJQZDIFDHV-UHFFFAOYSA-N 311.385 2.849 0 40 DFAB Cc1noc2ncc(C(=O)N(Cc3ccccn3)C(C)C)cc12 58279429 VGUZQEMLLHDGMP-UHFFFAOYSA-N 310.357 2.977 0 40 DFAB COc1ccccc1S(=O)(=O)NCc1cc2ccccc2[nH]1 58280066 SRYAPHKLNFGXBD-UHFFFAOYSA-N 316.382 2.655 0 40 DFAB CCOCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58380119 UVQMJDNPTFJUHX-SFHVURJKSA-N 318.461 2.832 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)CCOc2ccccc2Cl)C1 58419743 KPEGGJVPICIXLV-AWEZNQCLSA-N 324.852 2.955 0 40 DFAB Cc1ccsc1/C=C/C(=O)N1CCN(c2nccs2)CC1 10675204 BHQWPUVAULPIBU-NSCUHMNNSA-N 319.455 2.875 0 40 DFAB Cc1ccccc1C(=O)CN1C(=O)CN(c2ccccc2)C1=O 48344518 DJZSMLHSJADQGI-UHFFFAOYSA-N 308.337 2.647 0 40 DFAB COc1cc(/C=C/C(=O)O)ccc1OCc1c(C)noc1C 3412829 AGHIZDYJLUTOLB-FNORWQNLSA-N 303.314 2.977 0 40 DFAB CN(CC(F)(F)F)C(=O)Nc1ccc2oc(=O)ccc2c1 172040416 AUFBNZDDGIAXLI-UHFFFAOYSA-N 300.236 2.819 0 40 DFAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)no1 12975423 IYICLVWDWFZZBO-CQSZACIVSA-N 310.350 2.648 0 40 DFAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 12949755 MVVPJNDRQSZYHG-ZDUSSCGKSA-N 304.390 2.581 0 40 DFAB O=C(CCc1nc(-c2ccco2)no1)NCC1CCCCC1 13012096 IWHVCNCDWPFBFO-UHFFFAOYSA-N 303.362 2.959 0 40 DFAB NC(=O)C1(NC(=O)c2cc3c(F)cccc3s2)CCCC1 69841262 YKISDRPGZYWEFR-UHFFFAOYSA-N 306.362 2.568 0 40 DFAB c1ccc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)co2)cc1 69925115 SZRMPIMKLVVTIR-HNNXBMFYSA-N 323.400 2.845 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)NCc1ccc(F)cc1 5086178 QPGGXDOZGLXMNZ-UHFFFAOYSA-N 315.344 2.536 0 40 DFAB CC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1 4265887 QFMSKSSKWNFYFS-UHFFFAOYSA-N 324.336 2.826 0 40 DFAB CCNC(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1 8705073 KPLSPDOXZYPVSI-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)o1 65474568 CKUWUZPAUDVGCX-QWHCGFSZSA-N 306.406 2.802 0 40 DFAB O=C(Nc1ccccn1)/C(=C\c1ccco1)NC(=O)c1ccco1 5377463 SMTMLLSIVPHTSB-ACCUITESSA-N 323.308 2.677 0 40 DFAB Nc1ncccc1C(=O)OCC(=O)Nc1cccc2ccccc12 14112895 FBZNULGGEYEQNC-UHFFFAOYSA-N 321.336 2.613 0 40 DFAB CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1 18220062 UPAQASQPHBSOTG-SNVBAGLBSA-N 318.402 2.689 0 40 DFAB O=c1cc(-c2ccccc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 9087605 HSXYTJUAGNKMOQ-UHFFFAOYSA-N 303.321 2.674 0 40 DFAB C[C@@]1(C(=O)OCC(=O)NC2CCCCC2)CC1(Cl)Cl 7779143 KJXZHWLXJPNSIR-LBPRGKRZSA-N 308.205 2.562 0 40 DFAB O=C1c2ccccc2C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 16353578 VTTBRDHUVWMPIH-SNVBAGLBSA-N 312.291 2.514 0 40 DFAB c1ccc(-n2cc(CNC[C@H]3COc4ccccc4O3)cn2)cc1 7986241 KOOKGNLBGGLZSJ-KRWDZBQOSA-N 321.380 2.802 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C)ccc2O)cc1 16594451 VXSGLWXKXCBQRU-UHFFFAOYSA-N 312.369 2.720 0 40 DFAB CCc1noc(C)c1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71865736 FIOAEXGSBNTVFZ-AWEZNQCLSA-N 316.405 2.745 0 40 DFAB COC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 71847524 UFSLQAKXPSLNMD-OCCSQVGLSA-N 324.808 2.791 0 40 DFAB CC(C)c1nc(NC(=O)c2ccn(C3CCCC3)n2)n(C)n1 89893576 JUWJUAYKRBDPST-UHFFFAOYSA-N 302.382 2.502 0 40 DFAB C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(C(N)=O)cc1F 84069682 RXMSSZVLUXNERP-LLVKDONJSA-N 322.380 2.991 0 40 DFAB CC[C@@](C)(NCCCNC(=O)C(F)(F)F)c1nc(C)cs1 89942117 ZSHVREOBJJDYCA-GFCCVEGCSA-N 323.384 2.735 0 40 DFAB CCC(CC)c1cc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)on1 72295323 XRWLZJNKKOHSTR-CYBMUJFWSA-N 316.405 2.828 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)Nc2cnn(C)c2)c1 72270430 RAYONOGDLVHHQV-UHFFFAOYSA-N 304.350 2.860 0 40 DFAB O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccsc1 72294980 LWIOFEVFJRVNMR-UHFFFAOYSA-N 300.383 2.605 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CCO1 72278398 VSBNOJKLRFUJHL-JTQLQIEISA-N 306.749 2.856 0 40 DFAB CCCc1ccccc1NC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 97034135 SADWITSHPGFWCS-JSGCOSHPSA-N 303.406 2.757 0 40 DFAB Cc1ccn2cc(C(=O)Oc3ccc4c(c3)CCC(=O)N4)nc2c1 84250791 BNCKWVHDUCRNBH-UHFFFAOYSA-N 321.336 2.747 0 40 DFAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3cc[nH]c3c1)CC2 97198971 DZPFLTFVNFHXAS-CQSZACIVSA-N 323.400 2.628 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)c1ccncc1Br 97148375 ZPPZYJISDVEPIW-WDEREUQCSA-N 300.152 2.568 0 40 DFAB CC(=O)Nc1ccccc1CN1CCC[C@H](C2(C)OCCO2)C1 97108680 ZUAVEXLSPQWOIY-INIZCTEOSA-N 318.417 2.620 0 40 DFAB CCOCC(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 76066868 KXPPOZRGZRXIOJ-UHFFFAOYSA-N 311.794 2.757 0 40 DFAB CCSC1(CNC(=O)c2ccc3[nH]cnc3c2)CCOCC1 76021502 BJGKIARWYOGDDJ-UHFFFAOYSA-N 319.430 2.595 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(F)c2)[C@H](C)C1 78897568 JVJCOMDWEJHXAW-IUODEOHRSA-N 308.397 2.571 0 40 DFAB Cc1noc(CN(C)C2CCN(c3cccc(F)c3)CC2)n1 72826283 QEQSTXNJUWIFRH-UHFFFAOYSA-N 304.369 2.618 0 40 DFAB CC1(C)[C@H]2CC=C(COC(=O)CCNC(=O)c3ccoc3)[C@@H]1C2 84673953 ZXEPFORKGHXONH-GJZGRUSLSA-N 317.385 2.935 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(Cl)cc1)CC2 95393653 WWYIZZNJTPFQRW-ZDUSSCGKSA-N 318.808 2.800 0 40 DFAB Cc1ccc(CCC(=O)N2C[C@H](C(N)=O)c3ccccc32)c(C)c1 95397093 XLIKCTRHGCOLIG-KRWDZBQOSA-N 322.408 2.852 0 40 DFAB C[C@@H](Cc1ccccc1Br)NCc1nccn1C 95414149 UHHXXSAWLQDIGJ-NSHDSACASA-N 308.223 2.903 0 40 DFAB CC(=O)NC1(c2noc(-c3cccc(O)c3)n2)CCCCC1 95940709 ISRWOUCKNMEVRN-UHFFFAOYSA-N 301.346 2.738 0 40 DFAB C[C@H](c1ccc2ccccc2c1)N1CC(OCC(=O)N(C)C)C1 75093973 BOLBEEYLLWJAKB-CQSZACIVSA-N 312.413 2.690 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H](OCC(C)C)C1 89526330 QKNSCTDNLVEVDN-FZMZJTMJSA-N 309.410 2.809 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 3226914 BCQWVSGYTQLPNS-RHSMWYFYSA-N 319.426 2.738 0 40 DFAB biogenic COc1ccc(CNC(=O)c2csc(NC3CC3)n2)cc1 36358791 JLCFCIIRYQFYBX-UHFFFAOYSA-N 303.387 2.656 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 408707215 LIEUQYXMGFEDIV-OAHLLOKOSA-N 310.397 2.531 0 40 DFAB COC(=O)c1cccc2c1CCCN2Cc1nnc(C2CC2)o1 72578410 IHICEIVEUZMAFK-UHFFFAOYSA-N 313.357 2.686 0 40 DFAB Cc1ccc(C2(C(=O)Nc3cc(C)nn3C)CCOCC2)cc1 72265173 VUXAXOXXDZPGKO-UHFFFAOYSA-N 313.401 2.724 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C)nc1 72330217 AFWDNWBSLIHLNZ-UHFFFAOYSA-N 314.341 2.584 0 40 DFAB CCCCN1CCCC[C@@H]1c1cccnc1N1CCNCC1 72216366 APAFRMFNRHLTQB-QGZVFWFLSA-N 302.466 2.818 0 40 DFAB O=C(Cn1ncc2ccccc2c1=O)Nc1cccc2[nH]ccc12 71288390 RLMJVMIZHLANGS-UHFFFAOYSA-N 318.336 2.517 0 40 DFAB O=C(NCc1cccs1)NC[C@](O)(c1ccccc1)C1CC1 70969412 FTWKOYLBXWWRCI-KRWDZBQOSA-N 316.426 2.845 0 40 DFAB COC(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1 223085504 FMHJYCNVZPFRBR-UHFFFAOYSA-N 305.355 2.725 0 40 DFAB CCOC(=O)COc1ccc(I)cc1C 44154589 BQLLPEKXTLWIQL-UHFFFAOYSA-N 320.126 2.542 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C 225738530 UMTFGVAVCWNDMW-MCIONIFRSA-N 309.431 2.779 0 40 DFAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1 42646429 PNOHJYWTAMTBJG-UHFFFAOYSA-N 306.671 2.576 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc2cccnc12 59990234 OYFHEGKGCKLGGJ-INIZCTEOSA-N 320.348 2.661 0 40 DFAB CCCCCCN1C[C@@H]2Oc3cc(F)ccc3C(=O)N(C)[C@@H]2C1 514288614 GSQOBBUFWMNOJU-WBVHZDCISA-N 320.408 2.923 0 40 DFAB biogenic,in-vitro C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccs1 225601782 NKKIRXHKDWNJKJ-LLVKDONJSA-N 323.439 2.593 0 40 DFAB Cc1cccc(-n2nnnc2SCCOCC(F)F)c1C 225438576 FJYALKUDKKNCGT-UHFFFAOYSA-N 314.361 2.653 0 40 DFAB Cc1ccc(CCCNS(=O)(=O)c2c(C)noc2C)cc1 224643289 AFXYQPWFHHPICJ-UHFFFAOYSA-N 308.403 2.511 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 230104542 PHDASTMLKJHLPW-RBUKOAKNSA-N 308.425 2.957 0 40 DFAB COCCCC(=O)NC1(c2cccc(Br)c2)CC1 96418912 GXVARMNSTQHEQJ-UHFFFAOYSA-N 312.207 2.981 0 40 DFAB Cc1ccccc1NC(=O)c1ncn(C[C@@H](O)c2ccccc2)n1 583648968 GGMKKBARYKPBRJ-MRXNPFEDSA-N 322.368 2.572 0 40 DFAB COc1ccccc1[C@@H]1CNCCN1Cc1scnc1C 257342009 ZMSFUNQFLJCYIE-AWEZNQCLSA-N 303.431 2.607 0 40 DFAB C[C@@H](NCc1ccnn1C)[C@H]1CCCCN1C(=O)OC(C)(C)C 183704816 SYLQBWGYHNFEFT-UKRRQHHQSA-N 322.453 2.688 0 40 DFAB Cc1nc(C)c(C(=O)N2CCNC[C@@H]2c2ccccc2)s1 257342068 ZMYCBAARNYJNRA-CQSZACIVSA-N 301.415 2.547 0 40 DFAB Cc1cc(NC2CC3(CCN(Cc4cccnc4)C3)C2)ncn1 257273347 NGEFNJREXQHBPW-UHFFFAOYSA-N 309.417 2.647 0 40 DFAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)c[nH]1 55553119 HXTPNVJOJIVTHI-VXNVDRBHSA-N 305.359 2.519 0 40 DFAB CC(C)Cn1cc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cn1 78630299 PCUQWPMAFXADAW-DZGCQCFKSA-N 308.426 2.722 0 40 DFAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1O 12396967 RLXBCLRXIBJQJO-UHFFFAOYSA-N 317.732 2.932 0 40 DFAB Cc1c(-c2cccs2)nn2c(O)cc(-c3cnn(C)c3)nc12 19557634 ZKNSIWRTNLJHMB-UHFFFAOYSA-N 311.370 2.872 0 40 DFAB COc1cc2c(cc1OC)/C(=C/c1ccccc1N)C(=O)OC2 1619535 NFKJEGSFERZUAD-AUWJEWJLSA-N 311.337 2.883 0 40 DFAB COc1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(C)c1 159280102 IQUPFPOMSDQALQ-LLVKDONJSA-N 302.378 2.788 0 40 DFAB Cc1cccnc1CN1CCCC[C@@H]1c1cc(O)n2ccnc2n1 643914111 KXHNGNONRKROKD-MRXNPFEDSA-N 323.400 2.866 0 40 DFAB CCOC(=O)c1c(O)c(C(=O)OCC)n(C)c1-c1ccccc1 33844846 LPDGLEHUIQGFHC-UHFFFAOYSA-N 317.341 2.751 0 40 DFAB in-vitro Cc1nc(N(C)C2CN(c3ccccn3)C2)cc(C(F)(F)F)n1 1889091916 UXAJFMJEDMQTBY-UHFFFAOYSA-N 323.322 2.524 0 40 DFAB Cc1cc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)no1 24691097 ATOBMZRJHLIQSM-ZDUSSCGKSA-N 300.362 2.631 0 40 DFAB Cc1cnc(C)c(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087127716 JJUVUXIMPSNQEM-AWEZNQCLSA-N 304.438 2.567 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)CCCc2ccccc2)cc1 13716823 UQEINWGGNSSGFJ-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB CCc1ncnc(N2CCC[C@H](COc3nccs3)C2)c1F 2298187962 NOPTVUDACJDWPX-NSHDSACASA-N 322.409 2.930 0 40 DFAB Cc1ccc(-c2cc(N)n(-c3nc(C(=O)O)cs3)n2)cc1 5243824 MUVMRDWIZXSQRC-UHFFFAOYSA-N 300.343 2.585 0 40 DFAB O=C(NC[C@@]1(O)CCOc2ccccc21)Nc1cccs1 75158186 HCSXDTUQVMEAJE-HNNXBMFYSA-N 304.371 2.540 0 40 DFAB COC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 42661 ZHTWMXLYCKDOFX-UHFFFAOYSA-N 322.744 2.877 0 40 DFAB NC(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 36727975 SDSWIQQDEYMQIM-UHFFFAOYSA-N 322.286 2.734 0 40 DFAB C[C@@](O)(CNC[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1 31773319 ALMBTPOPNWVDCP-HDICACEKSA-N 321.367 2.670 0 40 DFAB CCOC(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 1683894 FWGHEOIWJSULEX-HNNXBMFYSA-N 309.321 2.587 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 2658811 FAWVEWRZFDDSNL-CQSZACIVSA-N 317.772 2.839 0 40 DFAB Cc1ccc(-n2ncc3c(NCCCO)ncnc32)cc1Cl 20661962 BGGPZMNLXARRFB-UHFFFAOYSA-N 317.780 2.572 0 40 DFAB COCCNc1nnc(SCC(=O)c2ccccc2)s1 6648792 AOCLVAKMIQFBCU-UHFFFAOYSA-N 309.416 2.571 0 40 DFAB CCc1noc(CNc2cc(Cl)ccc2C(=O)N(C)C)n1 71983145 SANGFUBACYSJRA-UHFFFAOYSA-N 308.769 2.599 0 40 DFAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Cl)nc1 21513846 ZELDSFGYLFYTNE-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB in-vitro Cc1ncc(Cl)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1 71916474 HRHNWFBGESYRKB-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CN(Cc1ccn(-c2ccccc2)n1)[C@H](C(N)=O)c1ccccc1 53258222 LCFLMJUZAHJLBE-SFHVURJKSA-N 320.396 2.531 0 40 DFAB Cc1cc(C(=O)NCCCC(N)=O)sc1-c1ccc(F)cc1 69633028 HGSJHVBWRRPYCR-UHFFFAOYSA-N 320.389 2.858 0 40 DFAB C[C@@]1(c2cccs2)NC(=O)N(Cc2cccc(F)c2F)C1=O 53864820 NDPFJFCFPZQNMV-HNNXBMFYSA-N 322.336 2.994 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)o1 47073099 DLAJLSOUYOHWMB-UONOGXRCSA-N 321.421 2.595 0 40 DFAB O=C1c2ccccc2N[C@@H](c2csnn2)N1Cc1ccco1 54681547 KSGUFPSTHNWYMN-CQSZACIVSA-N 312.354 2.898 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCCn2nc(C)cc2C)c1C 42776683 OKFTXHYIPMNBOY-UHFFFAOYSA-N 303.362 2.504 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1(C)C 24489652 OELOMUQTFCIDSX-HOCLYGCPSA-N 300.402 2.891 0 40 DFAB CCN1C[C@H](CN(C)C(=O)c2occc2C)Oc2ccccc21 24652708 KTNVHCMDABOWGU-AWEZNQCLSA-N 314.385 2.948 0 40 DFAB CC(C)(C)C(=O)NCCCC(=O)NCCCc1ccccc1 55472957 FNCWESQLRAAJFD-UHFFFAOYSA-N 304.434 2.678 0 40 DFAB CCN(CC)Cc1nnc2sc(Cc3ccccc3)nn12 61722193 XUDKUPLFYCMEKB-UHFFFAOYSA-N 301.419 2.618 0 40 DFAB O[C@H](CNCCc1c[nH]c2ccccc12)COc1ccccc1 3149233 KKFXWXLVXCLXGJ-MRXNPFEDSA-N 310.397 2.740 0 40 DFAB CC(C)[C@H](CNC(=O)c1ccncc1)N1CCc2ccccc2C1 25535863 REHQSJUKOLMZAV-IBGZPJMESA-N 323.440 2.894 0 40 DFAB C[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 108382625 YKTIEJXLFIJRKE-NRUUGDAUSA-N 300.324 2.962 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)NC1CC1 44355157 YOBFORAQPMVCFD-UHFFFAOYSA-N 308.403 2.687 0 40 DFAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccco1 67889754 OPWDQIZFSWKOIC-WBMJQRKESA-N 304.390 2.549 0 40 DFAB biogenic,in-vitro Cc1nc(-c2cc(C(=O)N3CCC[C@H]([C@H](C)O)C3)co2)cs1 89712558 JWDRDQVDXYOAQM-JQWIXIFHSA-N 320.414 2.945 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccsc1 12599061 FIHKXTYFOUPVHQ-JTQLQIEISA-N 305.355 2.941 0 40 DFAB Cc1noc([C@H](C)NCC2(N3CCSCC3)CCCCC2)n1 69874093 SYUCNZCCVHKCEE-ZDUSSCGKSA-N 324.494 2.780 0 40 DFAB CC(=O)CC(C)(C)NC(=O)CCN(C)Cc1ccc(C)cc1 58025824 ZWDKMSLPACCCEH-UHFFFAOYSA-N 304.434 2.691 0 40 DFAB COc1ccc(OC)c(CCC(=O)Nc2ncccc2OC)c1 58181922 YCCKBOQKMFVIGK-UHFFFAOYSA-N 316.357 2.679 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@H](C)N2CCC(C)CC2)cs1 58208488 GXSDJPHAAIJPEL-IHVVCDCBSA-N 307.463 2.701 0 40 DFAB O=C(c1cnccn1)N1CCC(Nc2ccccc2Cl)CC1 58230004 CHTREZVTXXMOPA-UHFFFAOYSA-N 316.792 2.847 0 40 DFAB COc1ccccc1SCc1cc(=O)n2nc(C)sc2n1 58246703 BEYFCHPFRLBRJI-UHFFFAOYSA-N 319.411 2.760 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)cc1 58218204 QYVYTFCEBNDZQP-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB Cc1nc(NCCC(=O)NC(C)C)c2c3c(sc2n1)CCC3 45026337 OSVQGKWLTUISCY-UHFFFAOYSA-N 318.446 2.815 0 40 DFAB COc1ccc2cc(C(=O)N(C)c3ccc(OC)nc3)[nH]c2c1 58434342 XZGYWPYERNLIOF-UHFFFAOYSA-N 311.341 2.857 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccc(OC)cc2O)c1 45330052 AYHBMVPYJIZGLG-UHFFFAOYSA-N 301.342 2.682 0 40 DFAB C[C@H](Sc1nc2ccccc2o1)C(=O)NCC(F)(F)F 10962941 OLPDKTXDGFIZNQ-ZETCQYMHSA-N 304.293 2.987 0 40 DFAB CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 3569779 SLQFDLCBEZENIA-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB COc1cc([C@H]2SCC(O)=Nc3c2cnn3C)ccc1O 49545188 OIYQTJWOIQCGRB-CYBMUJFWSA-N 305.359 2.559 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccsc1 69818678 ZLBXLKXELLYABP-BXUZGUMPSA-N 320.370 2.527 0 40 DFAB C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CCO1 39539203 GNLPEQJZDJCHML-GFCCVEGCSA-N 318.348 2.661 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@H](n2cccn2)C1 65608559 ZGEQFWJMTZYFGX-GOEBONIOSA-N 313.426 2.764 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 69517911 CDSIYYRAMVLLEG-CVEARBPZSA-N 318.465 2.727 0 40 DFAB O=C(CN1CCc2ccccc2C1)N1CCc2sccc2C1 14216562 JSKWKYIKYVYMIQ-UHFFFAOYSA-N 312.438 2.691 0 40 DFAB Cc1nc(C)c(C(=O)O[C@H](CN2CCCC2)C(F)(F)F)s1 69946627 VFLWWCGQOGKVQY-SNVBAGLBSA-N 322.352 2.943 0 40 DFAB O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCC1 45286546 NJWMGKNNXQPJKP-UHFFFAOYSA-N 312.413 2.956 0 40 DFAB CN(Cc1cccs1)C(=O)Cc1ccc2c(c1)OCCO2 6784499 XXEXLBORHMKYSN-UHFFFAOYSA-N 303.383 2.720 0 40 DFAB Cc1ccc(SCCNC(=O)COc2cc(C)on2)cc1 8776718 QLZQQBDHUVTCPE-UHFFFAOYSA-N 306.387 2.579 0 40 DFAB Cn1nnnc1Sc1ccnc2cc(C(F)(F)F)ccc12 5799137 USAOMEKBYPHKME-UHFFFAOYSA-N 311.292 2.928 0 40 DFAB COCCOc1c(Cl)cccc1NC(=O)N[C@@H](C)COC 66968392 BZWMFMRNVKLUAC-JTQLQIEISA-N 316.785 2.522 0 40 DFAB CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)cn1N 18259696 SAEGXXKQDUMAEF-UHFFFAOYSA-N 305.403 2.698 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 67333757 AXHGLIZNOZVXDW-NWDGAFQWSA-N 305.378 2.918 0 40 DFAB COc1ccc2c(CSc3nnc(N)s3)cc(=O)oc2c1 7535555 MUAZGIPCWWKZKK-UHFFFAOYSA-N 321.383 2.528 0 40 DFAB Clc1cc2c(c(CSc3nnnn3C3CC3)c1)OCOC2 16375077 DVIHSPZRRRFUSX-UHFFFAOYSA-N 324.793 2.820 0 40 DFAB O=C1CC[C@H](C(=O)Nc2ccccc2N2CCc3ccccc32)N1 63778793 IJNTUGRCGOFUET-OAHLLOKOSA-N 321.380 2.598 0 40 DFAB O=C([C@@H]1CCCN1C(=O)C1CCCC1)N1CCCCCCC1 89819001 ZTWIWTUTXFJVHU-INIZCTEOSA-N 306.450 2.960 0 40 DFAB Cc1nc(-c2cccnc2)nc(N2CCC[C@H](CCO)C2)c1C 96429417 HZXZFJPRZLIYHS-OAHLLOKOSA-N 312.417 2.754 0 40 DFAB Cc1csc(C(C)(C)NC(=O)c2noc3c2CCCC3)n1 96407428 CXTRLSLFLWGUAE-UHFFFAOYSA-N 305.403 2.983 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 9534754 KLQWWCPERIVXIS-WCQYABFASA-N 317.414 2.926 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cn(-c3ccccc3)nn2)c1 71882170 NBGMFUCMZTZRHQ-CABCVRRESA-N 310.405 2.512 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1ccco1 71890142 YVHJMOKIQBGONE-CYBMUJFWSA-N 322.405 2.680 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C1CCCCCC1)CC2 89986329 WFUPIGYCLOFZOK-HZPDHXFCSA-N 309.450 2.735 0 40 DFAB CC[C@@H]1CN(C(=O)c2cnn(C3CCCCC3)c2)C[C@@H]1N(C)C 89948573 OHJWYYPOVIZNDI-PBHICJAKSA-N 318.465 2.801 0 40 DFAB CS[C@H](C)C(=O)NCCc1nc2cc(Cl)ccc2n1C 72275332 QDSAEZZKHNICDI-SECBINFHSA-N 311.838 2.637 0 40 DFAB COc1ccccc1CNC(=O)c1noc2c1C[C@H](C)CC2 20572095 CIKCOJRXRWPNPK-LLVKDONJSA-N 300.358 2.738 0 40 DFAB COC(=O)[C@H]1CCCCN1Cc1nc(C(F)(F)F)cs1 95433712 QBTFCNWOKWKORX-MRVPVSSYSA-N 308.325 2.689 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCCSC1 95460429 HOYASHIDBWNKDV-CHWSQXEVSA-N 308.451 2.769 0 40 DFAB Cc1cc(C)n2c(CNC[C@@H]3CCO[C@H]3C(C)(C)C)cnc2n1 95430375 PELBYAUZNSNVQS-GOEBONIOSA-N 316.449 2.887 0 40 DFAB C[C@H](N[C@H](C)c1nnc2n1CCCC2)c1nc(C(C)(C)C)no1 78890273 ZKVBKQROGWIYBN-MNOVXSKESA-N 318.425 2.707 0 40 DFAB Cc1ccc(-n2[nH]c(C(=O)N(C)c3ccccc3)cc2=O)cc1 174353552 XTYCTWPZKGFODT-UHFFFAOYSA-N 307.353 2.751 0 40 DFAB CCO[C@H](C)c1nc(CN(C)Cc2cc(=O)c(O)co2)cs1 78947731 LYATYUQRURNJJO-SNVBAGLBSA-N 324.402 2.531 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)Nc2cccc(F)c2)c1 95990466 RJUVNDVZSDXTAF-LLVKDONJSA-N 308.378 2.907 0 40 DFAB C[C@H](NCc1ccncc1Cl)c1ccc(S(C)(=O)=O)cc1 95984369 SNVMBSLLKDABOF-NSHDSACASA-N 324.833 2.989 0 40 DFAB CSc1ccc([C@@H](C)NC(=O)N[C@@](C)(CO)C2CC2)cc1 95966568 SVHDITZOMCYYEN-BZNIZROVSA-N 308.447 2.930 0 40 DFAB CCc1noc(CN(C)C(=O)CCOc2ccc(C)c(C)c2)n1 60369628 KDKYQIFBRCCHBO-UHFFFAOYSA-N 317.389 2.676 0 40 DFAB CCCCC(=O)N1CC2(C[C@@H](COCC3CC3)CCN2C)C1 306142606 XEIFMMLYWDASMN-INIZCTEOSA-N 308.466 2.526 0 40 DFAB CC(=O)Nc1nc(C2CCN(Cc3ccncc3)CC2)cs1 72367957 KDTCBIFMBWZQHQ-UHFFFAOYSA-N 316.430 2.876 0 40 DFAB O=C(CSCCO)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408526653 BQLOWGFEOWKDGL-OCCSQVGLSA-N 319.451 2.714 0 40 DFAB CCCSCc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 78774895 UPOHLIIHFSARLC-UHFFFAOYSA-N 312.416 2.783 0 40 DFAB COc1ccc(-c2nc3cc(N)cc(C(N)=O)c3o2)cc1Cl 216729983 JDHQLGFUWXUTPA-UHFFFAOYSA-N 317.732 2.838 0 40 DFAB CN(C(=O)COC(=O)c1ccc(Cl)nc1)C1CCCCC1 72330788 KJTIOMPQVAGIQW-UHFFFAOYSA-N 310.781 2.683 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72376777 YBSRIATWSNNMCH-OAHLLOKOSA-N 314.364 2.938 0 40 DFAB COc1ccc(CNc2nccn(-c3ccccc3)c2=O)cc1 6914845 YPYXQJLHOZWOAW-UHFFFAOYSA-N 307.353 2.853 0 40 DFAB CCCCOC(=O)CCN1CCN(c2cccc(C)c2)CC1 73125066 YIDKUHHCSGQNDZ-UHFFFAOYSA-N 304.434 2.850 0 40 DFAB CC(C)(C(=O)NC1=NCCS1)c1cccc(Cl)c1F 185064470 UDNQIKMWRKBDKH-UHFFFAOYSA-N 300.786 2.976 0 40 DFAB CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078909 UYWHJBDKFVDCPF-UHFFFAOYSA-N 312.344 2.778 0 40 DFAB CC(C)NC(=O)Cn1cc(-c2cccc(Br)c2)cn1 227154310 MDVNFXFQYZUMQG-UHFFFAOYSA-N 322.206 2.837 0 40 DFAB Cc1cccc(NC(=O)NCc2nccc(N3CCCC3)n2)c1 224152769 QYLBWRCUFVRFML-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB Cn1cccc1CCNC(=O)c1ccc2[nH]c(Cl)nc2c1 225986167 KOEVBAIBOLHPDJ-UHFFFAOYSA-N 302.765 2.527 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccc(CO)cc2)C1 228909646 QMZRYEIHUFSFDQ-HNNXBMFYSA-N 320.433 2.920 0 40 DFAB CO[C@H](C)c1cccc(NCC(=O)Nc2c(C)nn(C)c2C)c1 86205435 KLJXRRDZMQTLTQ-CYBMUJFWSA-N 316.405 2.795 0 40 DFAB Cc1ncsc1CNC[C@H]1CCN(C(=O)OC(C)(C)C)C1 98113863 LRXVXLVBHURDTH-GFCCVEGCSA-N 311.451 2.798 0 40 DFAB CC1([C@@H]2CCCN(C(=O)NCC(C3CC3)C3CC3)C2)OCCO1 96502527 HOYGSTIRANXMLQ-OAHLLOKOSA-N 322.449 2.607 0 40 DFAB CCn1ccc2ccc(NC(=O)N3CC[C@@H]([C@H](C)O)C3)cc21 97372464 AMCBJTODPZQOHG-GXTWGEPZSA-N 301.390 2.896 0 40 DFAB Cc1c(COC(C)C)cccc1NC(=O)N(CCO)C1CC1 96435327 YKIOFVKYJXLNGA-UHFFFAOYSA-N 306.406 2.909 0 40 DFAB Cc1nnc(-c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2)o1 96418418 BICBWUSVKCJCKH-AWEZNQCLSA-N 301.346 2.943 0 40 DFAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccccc1 97228715 ONGZEUGFRJHMQU-IAQYHMDHSA-N 323.352 2.755 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(Cc2noc(C3CC3)n2)CC1 97378911 YYONNMCBIOBVME-LBPRGKRZSA-N 318.446 2.887 0 40 DFAB CCC1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 97074690 GKRJHGDYFUPKDF-UHFFFAOYSA-N 317.433 2.776 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(F)c(F)c1F)CC(=O)O2 95474662 UWRJXDZQISMWBB-QMMMGPOBSA-N 309.243 2.542 0 40 DFAB O=C(C1CC=CC1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039928 MRILIUKONVMYQA-IEBWSBKVSA-N 319.445 2.777 0 40 DFAB COc1ccccc1C1(N)CCN(C(=O)OC(C)(C)C)CC1 96029460 VUUGURVSNBTBKX-UHFFFAOYSA-N 306.406 2.880 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@H]1CO 96435034 DWGUBSNPPLBQSJ-CMPLNLGQSA-N 311.813 2.689 0 40 DFAB CO[C@@H]1CSC2(C1)CN(C(=O)c1ccc3ccccc3n1)C2 247915592 ZFALMOJCBKJOLI-ZDUSSCGKSA-N 314.410 2.581 0 40 DFAB Cc1cc(O)nc([C@@]2(C)CCCN2C(=O)C2CCCCC2)n1 257263222 LOXXSPQKVOGANT-QGZVFWFLSA-N 303.406 2.909 0 40 DFAB c1cnc2ccc(C[C@H]3COCCN(Cc4c[nH]cn4)C3)cc2c1 257341840 ZMDGQNPHUSUISX-MRXNPFEDSA-N 322.412 2.649 0 40 DFAB Cc1ccc([C@@H]2[C@@H](CO)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 252515868 OFPTXVRIANHEFN-KZNAEPCWSA-N 316.422 2.852 0 40 DFAB CN(C)c1ccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)nc1 257264334 LTYLLAUIBWKJIW-ZWKOTPCHSA-N 303.450 2.631 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCN(CC(F)(F)F)CC1 41847112 GXSFYGWUNNYZLY-UHFFFAOYSA-N 324.705 2.799 0 40 DFAB CN(C)CC(C)(C)CNC(=O)CCn1ccc2ccccc21 48313062 MXTWWYHYOABXGL-UHFFFAOYSA-N 301.434 2.735 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2scnc2Cl)C1 48914443 WOJLAONJFGVIDB-NXEZZACHSA-N 301.843 2.504 0 40 DFAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCc2ccc(O)cc2C1 55249115 OLEJEJWRDHMNCV-SFHVURJKSA-N 322.364 2.795 0 40 DFAB Cn1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1=O 55487273 MXZKCSNMFVRXQL-KRWDZBQOSA-N 310.397 2.623 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 69772085 QLANUQCWEUPLFH-GVXVVHGQSA-N 313.344 2.726 0 40 DFAB Cc1nc(-c2ccccc2)sc1NC(=O)c1nccnc1N 96010755 NSIYWOVAXHAIOY-UHFFFAOYSA-N 311.370 2.743 0 40 DFAB COc1ccc([S@](=O)c2coc3ccccc3c2=O)cc1 5760622 VBPLLEKXWJNYSX-OAQYLSRUSA-N 300.335 2.968 0 40 DFAB COC(=O)c1cccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 12620365 GHPKEPVTBWMKNJ-WFASDCNBSA-N 305.374 2.547 0 40 DFAB CCN(CC)CCNC(=O)c1ncoc1-c1ccc(F)cc1 13566348 UTKXMKGWNLWYOV-UHFFFAOYSA-N 305.353 2.552 0 40 DFAB O=S(=O)(CCN1CCc2ccccc2C1)c1ccccc1 16443060 YYWSQSCLYUCAOP-UHFFFAOYSA-N 301.411 2.519 0 40 DFAB C[C@H](C(=O)N[C@H](c1ccncc1)c1cccs1)n1ccnc1 19079783 LUUILBGADXEILX-IUODEOHRSA-N 312.398 2.806 0 40 DFAB CN(N)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl 153218 MWHUVAVXBMFHFD-UHFFFAOYSA-N 319.579 2.503 0 40 DFAB CCc1cccc2c(CC(=O)N[C@@H]3CCCOC3)c(C)[nH]c12 12194396 TXHDKFUVVMOPTH-CQSZACIVSA-N 300.402 2.876 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2ncnc3ccccc23)C1 3269228 TWOSNRUCBZFASL-GFCCVEGCSA-N 301.415 2.980 0 40 DFAB COc1ccc(C)cc1C(=O)N[C@@H](CC(=O)O)c1ccccc1 13427898 KAKISIWNWXKLTA-HNNXBMFYSA-N 313.353 2.949 0 40 DFAB O=S(=O)(CCc1ccccc1)NCC1(c2ccsc2)CC1 1888930560 PDIADXAZQBMHOP-UHFFFAOYSA-N 321.467 2.942 0 40 DFAB COc1cccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)c1 100144204 FWPSPBVEQBCUAO-INIZCTEOSA-N 321.336 2.550 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCNC(=O)c1cccc(C)c1 9300028 WDIPAAJJVQFASS-MRXNPFEDSA-N 302.418 2.906 0 40 DFAB O=C(NCCc1nnc2n1CCCCC2)NC1CCCCCC1 45607388 MPDZWEDXCAXPRH-UHFFFAOYSA-N 319.453 2.569 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)NC2CCN(C3CC3)CC2)c1 29090486 YJIHXTQVUPHXPG-AWEZNQCLSA-N 302.418 2.505 0 40 DFAB CC(=O)N[C@@H](CC(=O)N(C)c1nccs1)c1ccc(C)cc1 40516307 GCWHLDOPYGRJQW-AWEZNQCLSA-N 317.414 2.682 0 40 DFAB COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)cc1 1358652 UOSDVUYYGUTWOX-UHFFFAOYSA-N 311.341 2.691 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1ccccc1 1379723 RGIHTZFEDMYHIH-OAHLLOKOSA-N 313.357 2.592 0 40 DFAB O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1cccnc1 3077252 BHMGSDIGFLPJAJ-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB CCc1ccccc1NC(=O)CN1CCO[C@H]2CCCC[C@@H]21 51994139 TWIZURKTXSFUKO-IRXDYDNUSA-N 302.418 2.831 0 40 DFAB O=C(NC1CCCCCCC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 32656466 ZYPYWJMFSKJPIG-NEPJUHHUSA-N 320.355 2.673 0 40 DFAB CCCc1n[nH]c(=S)n1NCc1ccc(OC)cc1OC 7601379 GMSPANIPNPDEIJ-UHFFFAOYSA-N 308.407 2.654 0 40 DFAB CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108356089 ORKNIDGJHVLEMF-MRVWCRGKSA-N 309.431 2.582 0 40 DFAB CCc1ccc([C@H](CNC(=O)c2c(C)noc2C)N(C)C)cc1 32733709 WSNQXUGSDHUGQS-INIZCTEOSA-N 315.417 2.887 0 40 DFAB Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1 89721108 BVPUKMSYIJLFPA-MLGOLLRUSA-N 314.389 2.713 0 40 DFAB CNc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 477366 FURJUZRTSMVWPX-UHFFFAOYSA-N 313.376 2.830 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc(F)ccc1F)Cc1ccccc1 52839361 WTCLENGGUWINCO-OAHLLOKOSA-N 318.367 2.868 0 40 DFAB C[C@H](NS(=O)(=O)c1cnn(C)c1)c1csc2ccccc12 69697227 PAEJFSDRDYTXJN-JTQLQIEISA-N 321.427 2.674 0 40 DFAB CS(=O)(=O)/N=C(\O)c1ccc2noc(-c3ccccc3)c2c1 42279718 PWAZVRHGIMLOSQ-UHFFFAOYSA-N 316.338 2.759 0 40 DFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(N)=O)cc2)cc1 23045340 ABHRAETZEDMWEU-LBPRGKRZSA-N 311.337 2.522 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 23055258 SSGSTPKOZGUBFR-UHFFFAOYSA-N 313.357 2.612 0 40 DFAB Cc1nnc2c3ccccc3c(-c3cccc(CC(=O)O)c3)nn12 103240720 UZYQLSIWIVGPEQ-UHFFFAOYSA-N 318.336 2.880 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cccc(F)c1 24652698 MKPOXYZLDLZVMO-HNNXBMFYSA-N 315.344 2.667 0 40 DFAB Cc1cc(C)c2c(N)nn(C(=O)c3ccc(Cl)cc3)c2n1 1430875 OUGOMNFZXABUBK-UHFFFAOYSA-N 300.749 2.972 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccn1)C3 57099775 IMTRFMQDTUKVKV-UHFFFAOYSA-N 308.337 2.849 0 40 DFAB CCc1ccc2oc(-c3ccccc3)c(OCC(N)=O)c(=O)c2c1 1987526 AYHASLCKHANYLO-UHFFFAOYSA-N 323.348 2.887 0 40 DFAB O=C(Nc1ccc(CCN2CCSCC2)cc1)NC1CC1 57984883 NEODSFZNAVYNHM-UHFFFAOYSA-N 305.447 2.562 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1cccs1 44889793 MZXHYSMTQIUELG-UHFFFAOYSA-N 318.398 2.561 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Cl)cc1N 12621606 SMYYBLKHPJDPTR-PHIMTYICSA-N 324.808 2.869 0 40 DFAB CC[C@@H](CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c1ccccc1 58208616 LAIVFWHDVQPCJR-KBPBESRZSA-N 311.447 2.508 0 40 DFAB CCOCCNC(=O)N(C)Cc1ccc(SC)c(OC)c1 58248567 NZUFIOUIRLLCON-UHFFFAOYSA-N 312.435 2.595 0 40 DFAB CCc1sc(C(=O)N2CCC[C@@H](c3nncn3C)C2)cc1C 44934729 XGLGIBLBQRENMO-GFCCVEGCSA-N 318.446 2.767 0 40 DFAB CCCN(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 58339225 WAONSHHXNQEOEL-AWEZNQCLSA-N 301.839 2.739 0 40 DFAB CCCNc1nnc(S(=O)(=O)Cc2ccccc2C)s1 58423706 POHRLLZHSJVKHO-UHFFFAOYSA-N 311.432 2.642 0 40 DFAB O=C(CCNc1ncccn1)N1CCC[C@@H]1c1ccsc1 48251740 WTQUYKSLCZCTQQ-CYBMUJFWSA-N 302.403 2.704 0 40 DFAB CCC(=O)[C@@H](C)OC(=O)c1cc2sc(N(C)C)nc2s1 62278686 IGXIPXLMXNKCNB-SSDOTTSWSA-N 312.416 2.948 0 40 DFAB CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 37988232 RUTDIVRTMCYPTQ-JQWIXIFHSA-N 302.827 2.982 0 40 DFAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 13097040 YPWPYLRAHMQCIY-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)NCCC1CCCC1 13018698 AROUWZPITUJWRL-UHFFFAOYSA-N 302.374 2.681 0 40 DFAB CCOc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1OC 13168502 MLSCHUAHALPPKA-UHFFFAOYSA-N 321.373 2.611 0 40 DFAB CN(Cc1csc(Br)c1)c1ncnc2nc[nH]c12 48963081 HCKOBJHRMPKQMN-UHFFFAOYSA-N 324.207 2.813 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccco1)CC2 4084915 FSWQJDDVVKTNNM-AATRIKPKSA-N 313.353 2.895 0 40 DFAB biogenic Cc1cc(C)c(S(=O)(=O)c2ccccc2C(C)C)c(=O)[nH]1 4024020 OKRMBLLBXGEUJW-UHFFFAOYSA-N 305.399 2.948 0 40 DFAB C[C@H]1C[C@H](OC(=O)c2ccc(-c3ccc(F)cc3)o2)C(=O)O1 8393337 QOKXXKWXRXLCBN-XPTSAGLGSA-N 304.273 2.947 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 17971084 MGMNDTRGFGIAGU-BETUJISGSA-N 303.402 2.965 0 40 DFAB Cn1c(CN2CCc3cncnc3C2)nc2cc(Cl)ccc21 69489652 LLJBTLSWXKVHJS-UHFFFAOYSA-N 313.792 2.575 0 40 DFAB COCc1c(C(=O)NCc2nccs2)oc2ccccc12 65476474 KKEFEKJGEOBVQR-UHFFFAOYSA-N 302.355 2.966 0 40 DFAB CCc1cc2c(SCC(=O)Nc3ccon3)ncnc2s1 14092976 DDCWSKUORDDGHM-UHFFFAOYSA-N 320.399 2.973 0 40 DFAB CN1CC[C@H](Nc2cc(Br)ccc2Cl)C1=O 70583409 LDPTZEUDXCDRPC-VIFPVBQESA-N 303.587 2.745 0 40 DFAB O=C(O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1Cl 18196618 JXCAEQNRNRTMQF-VHSXEESVSA-N 323.732 2.644 0 40 DFAB Cc1sc2nc(CSc3nccn3C)nc(N)c2c1C 8778738 HBQBWMNGVCWANH-UHFFFAOYSA-N 305.432 2.916 0 40 DFAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)[nH]n1 66685788 OVFLUDJDFOHVMI-CQSZACIVSA-N 323.755 2.724 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)CCC2 7214597 IGKDKRQVMJXJNK-ZDUSSCGKSA-N 316.426 2.742 0 40 DFAB c1cc(CCN2CCC(NCc3ccsc3)CC2)ccn1 71792600 RWJKZDBILJHYND-UHFFFAOYSA-N 301.459 2.940 0 40 DFAB Cc1ncsc1CNC(=O)N[C@@H](CCN(C)C)C(C)(C)C 96407813 ILOFFRHSZRTRAP-ZDUSSCGKSA-N 312.483 2.617 0 40 DFAB CCn1c(CN2CCC(CN(C)C)CC2)nc2c(F)cccc21 71899648 UDTOCICOSIGWCQ-UHFFFAOYSA-N 318.440 2.969 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCc1cccc(F)c1 71837299 KMKJHTDGNIKDHC-JTQLQIEISA-N 304.369 2.736 0 40 DFAB CC(C)Cc1noc(CS[C@@H]2CCCN(C(C)C)C2=O)n1 89856578 LVNMTMJMKHUAQM-GFCCVEGCSA-N 311.451 2.901 0 40 DFAB CCC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)c1nnn[nH]1 89949537 HXNURVYVNDRQOO-HTQZYQBOSA-N 313.814 2.676 0 40 DFAB CCCn1c(SCc2coc(-c3cccs3)n2)n[nH]c1=O 9819202 XYDXVDUTJPXXNQ-UHFFFAOYSA-N 322.415 2.990 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c(C)n1C(C)C 72278566 SPSGEXHCGDGJLV-AWEZNQCLSA-N 300.406 2.627 0 40 DFAB Cc1nc2ccccc2nc1CN1CCC[C@@H]1Cn1cccn1 72267533 WJUBZGTXRBHOOL-OAHLLOKOSA-N 307.401 2.799 0 40 DFAB CCn1cc(Br)cc1C(=O)N1[C@@H](C)COC[C@H]1C 72293406 XYKFAGZUHVOIDO-AOOOYVTPSA-N 315.211 2.520 0 40 DFAB Cc1cc(COc2ccc(OCC(N)=O)cc2)c2ccccc2n1 72302054 IJEOEIYEMDWQIO-UHFFFAOYSA-N 322.364 2.986 0 40 DFAB CC[C@H](NC(=O)Cn1ccc2ccccc21)C1CCOCC1 72307194 IDRVYOXPNPOGKJ-INIZCTEOSA-N 300.402 2.963 0 40 DFAB Cn1ccc(CSc2nnc(-c3ccccc3F)o2)cc1=O 77217633 AMVCGHKFIVGZMW-UHFFFAOYSA-N 317.345 2.867 0 40 DFAB C[C@@H](C(=O)N1CCCC2(C1)OCCO2)c1ccc(Cl)s1 95443552 AQKMPUBVXGBFEW-SNVBAGLBSA-N 315.822 2.871 0 40 DFAB Cc1cc(CNc2nnc(C(C)(C)C)o2)ccc1-n1cncn1 95939361 VXVXFXKLQUCMCT-UHFFFAOYSA-N 312.377 2.868 0 40 DFAB NC(=O)N1CCC(NC2(c3ccc(Cl)cc3)CCC2)CC1 95987721 IBHSQPBUEYCKEU-UHFFFAOYSA-N 307.825 2.852 0 40 DFAB O=C(c1ccc(-n2cnnc2)cc1)N1CCCc2cccc(O)c21 95995361 BYSAZPCZDGOJRG-UHFFFAOYSA-N 320.352 2.566 0 40 DFAB CCc1n[nH]c(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 86170542 QTQOHULHDHZTOT-UHFFFAOYSA-N 320.201 2.648 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1OC 75139252 RQFIOLDCZZWMBS-CQSZACIVSA-N 319.405 2.560 0 40 DFAB Cc1nc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)[nH]c1C 1548521178 RSKCKMOWEXIPOS-UHFFFAOYSA-N 314.315 2.513 0 40 DFAB Cc1ccc(-n2cccc2/C=C2/NC(=S)NC2=O)cc1Cl 409018643 XMRGDQUERQLQQE-MDWZMJQESA-N 317.801 2.784 0 40 DFAB Cc1nnsc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 36621414 GHWIFZOSFDEEIY-UHFFFAOYSA-N 305.359 2.664 0 40 DFAB O=C(Nc1ccccc1F)c1ccc(N2C(=O)CCC2=O)cc1 36839318 LSVWCEJZRBHEAR-UHFFFAOYSA-N 312.300 2.731 0 40 DFAB CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 76983561 GQUFCTVKGPSLRO-GFCCVEGCSA-N 321.387 2.987 0 40 DFAB Cc1nn(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1C 78612529 BLWJBZBJIJEJFA-UHFFFAOYSA-N 317.773 2.630 0 40 DFAB COCCCNC(=O)c1ccnc2c(Br)cccc12 72243412 NLEYZEOBMWNZQI-UHFFFAOYSA-N 323.190 2.764 0 40 DFAB Cc1cccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c12 40566503 JEWGAIHROWITPG-ZDUSSCGKSA-N 318.373 2.997 0 40 DFAB Cc1ccc2c(c1)N(C(=O)[C@H](C)Oc1cccnc1)C[C@H](C)O2 81452372 OPDQMLZJQDZTLA-KBPBESRZSA-N 312.369 2.971 0 40 DFAB CCCc1noc(C2CCN(C(=O)c3ccoc3C)CC2)n1 41121846 HYLZSOFOEWYHON-UHFFFAOYSA-N 303.362 2.943 0 40 DFAB CCc1ccc([C@@H](CNc2ncnc3[nH]cnc23)N(C)C)cc1 47509312 LHOCYVHTIPYDSF-CQSZACIVSA-N 310.405 2.630 0 40 DFAB C[C@H](CNC[C@@](C)(O)c1cnn(C)c1)c1cccc(Cl)c1 195573343 JSJATTAYINAHAY-MLGOLLRUSA-N 307.825 2.674 0 40 DFAB COc1cc(CNC(=O)COCC2CC2)ccc1OCC(C)C 40533929 VPKDAFXARJARDQ-UHFFFAOYSA-N 321.417 2.773 0 40 DFAB COc1ccc(C(=O)NCCCN2CCCCC2)cc1Cl 222709217 OBNPQDABSYSXER-UHFFFAOYSA-N 310.825 2.954 0 40 DFAB CCn1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)cn1 80341986 WMVCQPNSEJCPKB-HNNXBMFYSA-N 304.825 2.925 0 40 DFAB C[C@@H](N)[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 195542945 RGPVCBHCJASQMU-DGCLKSJQSA-N 314.351 2.834 0 40 DFAB CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(O)cc1 195563063 XTBNERXPLAXLCR-DMPWYTOCSA-N 323.458 2.521 0 40 DFAB O=S(=O)(c1cccnc1)N1CCC(c2ccsc2)CC1 77103762 HVZNXUZXWNNCNQ-UHFFFAOYSA-N 308.428 2.711 0 40 DFAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)C2CC=CC2)n1 96064040 YHVBJSMUOFTZKB-ZWKOTPCHSA-N 311.429 2.531 0 40 DFAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1C[C@@H]2CC[C@H]1C2 95347337 FTAMIEVMFHJCFE-OCCSQVGLSA-N 314.385 2.641 0 40 DFAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cccs4)C[C@H]3O2)n1 96058236 GEBJVPIXNDYVDC-FPMFFAJLSA-N 305.403 2.792 0 40 DFAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccncc1Cl 96492991 OPBKYOJBNRVXCR-LLVKDONJSA-N 310.781 2.541 0 40 DFAB O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@H](O)c1ccccc1 95450359 SWNQGRVWPKHZRF-KZNAEPCWSA-N 311.381 2.757 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)CCOc2ccccc2)n1 257213508 CHVWCNFSCOXAEN-QGZVFWFLSA-N 311.385 2.918 0 40 DFAB Cc1nc(-c2cncc(C(=O)O)c2)cc([C@@H]2CCCCN2C)n1 257251520 JRCACDOHLGJWJJ-INIZCTEOSA-N 312.373 2.702 0 40 DFAB COCC[C@@H]1CN(C(=O)c2ccccc2F)Cc2cccn2C1 585095196 HMFAZHILWMYTOU-AWEZNQCLSA-N 316.376 2.936 0 40 DFAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3ccccn3)C2)c1 585269395 RRNMRUGXEAOZKP-LJQANCHMSA-N 312.413 2.796 0 40 DFAB Nc1nc(Cl)cc(Sc2nc(Cc3cccs3)n[nH]2)n1 45026254 NNLIEKYJEIJNEF-UHFFFAOYSA-N 324.822 2.634 0 40 DFAB N[C@H](C(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 95426319 LNFNNZYQFVSACL-IBGZPJMESA-N 324.424 2.894 0 40 DFAB COC(=O)[C@@]1(c2ccc(Br)cc2Cl)CCNC1 1740818991 RPDDPQYMDWPEMO-LBPRGKRZSA-N 318.598 2.507 0 40 DFAB O=C(OCC(=O)N1CCc2ccccc21)c1cc2ccccc2[nH]1 5532015 ORJZZSQDNBELDA-UHFFFAOYSA-N 320.348 2.914 0 40 DFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)C3CC3)C2)n1 12117217 YLFKYGGJIUBPTM-INIZCTEOSA-N 322.412 2.963 0 40 DFAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCC1 13710077 VYEICPVSVPZZEK-CYBMUJFWSA-N 310.825 2.709 0 40 DFAB O=C1NCC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21 12142609 NQYXDMXBCKVUDU-UHFFFAOYSA-N 322.408 2.844 0 40 DFAB O=C(N[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)C1CC1 1889111396 LVKCQSJQXYOTRN-GFCCVEGCSA-N 319.792 2.976 0 40 DFAB Clc1cnccc1OCC1CCN(C[C@H]2CCOC2)CC1 1848728676 KPWOZSWKJVIDKT-CQSZACIVSA-N 310.825 2.862 0 40 DFAB Cc1noc(C)c1COC(=O)Cc1cnn(-c2ccccc2)c1 25642883 ZWTFXINVJUPLKE-UHFFFAOYSA-N 311.341 2.763 0 40 DFAB Cn1c2ccc(F)cc2c2nc(S)n(CC3CC3)c(=O)c21 2087123630 CESRGQCHXHOVQG-UHFFFAOYSA-N 303.362 2.726 0 40 DFAB COc1ccc(-c2nnc(NC(=O)Cc3ccccc3)o2)cc1 4276102 YOSNLZCYUKAJFM-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccc(F)cc1 6668054 NYXGDSCOAOIUJW-INIZCTEOSA-N 319.719 2.892 0 40 DFAB COC[C@](C)(CNC(=O)NCc1cccc2ccccc12)OC 575613595 ULXCXRDIUWAIKQ-SFHVURJKSA-N 316.401 2.691 0 40 DFAB Cc1ccccc1NC(=O)NCc1cncc(N2CCCC2=O)c1 575618922 JVLMPUKZONKTDQ-UHFFFAOYSA-N 324.384 2.839 0 40 DFAB C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)Cc1ccco1 206614155 SHDBJEMGRWDBOF-HNNXBMFYSA-N 311.740 2.796 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032737 UQMLJULCYLEWOQ-INIZCTEOSA-N 318.392 2.766 0 40 DFAB Clc1cccnc1N1CCC[C@H](COc2cnccn2)C1 2298184031 YQWUCRBVNWPLRM-LBPRGKRZSA-N 304.781 2.820 0 40 DFAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=N)O)N2C1=O 424875 FFWCIJWHFOZZCJ-LBPRGKRZSA-N 316.386 2.570 0 40 DFAB Cc1cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)n[nH]1 40286003 MPOPCXAOZOIBTI-UHFFFAOYSA-N 314.349 2.614 0 40 DFAB Cc1nc(C(C)C)sc1C(=O)NCc1ccc(C(N)=O)cc1 40523448 DCLLVCSVNWFOBH-UHFFFAOYSA-N 317.414 2.604 0 40 DFAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NC2CCCC2)C1=O 423238 WSFSWSULMFHHGC-HNNXBMFYSA-N 316.401 2.558 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)c2ccccc2C)cc1 29225642 VQMOWJMNQDCYGP-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 1889603 SVCQBXMFONNZHX-UHFFFAOYSA-N 319.449 2.761 0 40 DFAB in-man O=C(NCCc1ccccc1)NCc1ccc(N2CCCC2)nc1 29318740 WGQQFYKUHAWOLX-UHFFFAOYSA-N 324.428 2.724 0 40 DFAB COc1ccc(OC)c([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 20735480 GCEXQCMMVVAGCQ-ZDUSSCGKSA-N 305.359 2.851 0 40 DFAB CCc1ccc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)cc1 4944181 MWMGTWRIMNUIEI-LLVKDONJSA-N 315.398 2.528 0 40 DFAB CC(C)CCNC(=O)C(=O)Nc1ccccc1Br 6325569 UQXKDWSDCBDKAE-UHFFFAOYSA-N 313.195 2.550 0 40 DFAB COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)(F)F)CC2=O 305070 NQJASZMLBMBHRG-SNVBAGLBSA-N 312.190 2.547 0 40 DFAB O[C@@H](CN1CCN(CCCc2ccccc2)CC1)c1ccccc1 69625112 GOAMIEAEVTWORA-NRFANRHFSA-N 324.468 2.970 0 40 DFAB CN(C(=O)c1ccoc1)[C@H]1CCN(c2ccccc2Cl)C1=O 69631769 KAVGJLUQIULQRY-AWEZNQCLSA-N 318.760 2.811 0 40 DFAB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101356424 VQFOGXGGJWPGIM-GGXPGOJBSA-N 305.333 2.673 0 40 DFAB CCc1ccc2oc(C(=O)Nc3nnc(C)s3)cc(=O)c2c1 11915594 SAXYXXQQFMKVAQ-UHFFFAOYSA-N 315.354 2.768 0 40 DFAB COc1cccc2cc(C(=O)Nc3nc(C)cs3)c(=O)oc12 418547 POIRUCDDEKPQOY-UHFFFAOYSA-N 316.338 2.819 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C)cc1 416292 SPYPJDVFRBLDFI-UHFFFAOYSA-N 318.446 2.797 0 40 DFAB O=C1NP23(OCCO2)Oc2ccccc2[C@]3(C(F)(F)F)O1 102958137 KJYDZWMXRATYNO-JTQLQIEISA-N 323.163 2.794 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccc(C)cc1)c1cccs1 12265866 KVLOGZFACBQBHM-OAHLLOKOSA-N 316.426 2.940 0 40 DFAB Cc1ccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)o1 53336443 XOWIQFSLPQAXFW-MDZDMXLPSA-N 312.369 2.505 0 40 DFAB NC(=O)CN(C(=O)c1cccc(C(F)(F)F)c1)C1CCCC1 47236110 YUQHPQPMWMRONL-UHFFFAOYSA-N 314.307 2.576 0 40 DFAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccncc1)C1CC1 54534602 KNVFNEHMFOYULG-UHFFFAOYSA-N 320.348 2.993 0 40 DFAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1ccccn1 42706813 RFJOOUCVJJVTMH-UHFFFAOYSA-N 308.341 2.609 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 100849967 OMSNEAMMGGNJMV-OAHLLOKOSA-N 310.353 2.748 0 40 DFAB COc1ccc(NC(=O)CSc2cc(C)ncn2)c(OC)c1 1286587 HWQJOINFOCLDSC-UHFFFAOYSA-N 319.386 2.533 0 40 DFAB COc1ccc(OC)c(CC(=O)Nc2ccccc2OC)c1 20447847 WPLPMLLEGOEPAX-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB Cn1ncc2c(Sc3nc(-c4ccccc4)c[nH]3)ncnc21 24828429 WBEFETDXIUXSTF-UHFFFAOYSA-N 308.370 2.905 0 40 DFAB NC(=O)[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccc1 12561829 BUOLNFHOUOWJCV-MOPGFXCFSA-N 317.392 2.987 0 40 DFAB CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c2c(c1)OCO2 12533211 ZKDQKKWPOWZPPC-OAHLLOKOSA-N 316.744 2.947 0 40 DFAB c1cc(N2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)ncn1 107712577 WFXUVGWGGVDIBB-AEFFLSMTSA-N 317.433 2.669 0 40 DFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)C(C)=O 55927987 PQHYCCRWJMPUQL-UHFFFAOYSA-N 317.216 2.820 0 40 DFAB Cc1ccnc2c(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)cccc12 101847869 OMDOANCHDHLPKH-BHTHQVBYSA-N 304.349 2.855 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3273052 JTHKXJDMXGFXMU-RHSMWYFYSA-N 315.413 2.667 0 40 DFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1CC(C)(C)C 57926634 TVICEDFNLQGPFW-ZDUSSCGKSA-N 313.467 2.626 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)Nc1nncs1 58173679 OTIGZILVDGINGD-UHFFFAOYSA-N 311.455 2.514 0 40 DFAB CCC(CC)C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 58201556 VFTZVOBBPPIZND-UHFFFAOYSA-N 318.377 2.864 0 40 DFAB C[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccncc1 44966087 GEDRXFPCUUOPHW-GFCCVEGCSA-N 311.341 2.529 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(C)cc2)c1 3388268 JCRJBJQUHRZMCA-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CCSc1cc(C(=O)NC[C@@H]2CCN(C(C)C)C2)ccn1 58404578 GCMOERZFJMRVFS-ZDUSSCGKSA-N 307.463 2.654 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2cccnc2)c1 45112397 MHYQUNCCBNBBFK-LBPRGKRZSA-N 312.373 2.600 0 40 DFAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1 2390645 RGHSWQSXVKVRCM-UHFFFAOYSA-N 311.341 2.887 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2NC1=O 12923431 VVKADFZIXTZYIL-MRVPVSSYSA-N 315.354 2.716 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)c1nccc2ccccc12 69517573 FTVYRNUCNPKYAS-UHFFFAOYSA-N 313.401 2.613 0 40 DFAB CCO[C@H](C)C(=O)NCc1ccnc(N2CCCCCC2)c1 69739323 XJAPGGCDCCWYHZ-CQSZACIVSA-N 305.422 2.503 0 40 DFAB C[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2C(=O)O)C1 13035023 BLTMUUDWMGILID-SNVBAGLBSA-N 311.765 2.676 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)N[C@H](C)CCc1ccccc1)C(=O)OC 13591532 WQBUFZOJUNBNKN-IIAWOOMASA-N 320.433 2.895 0 40 DFAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H](n2ccnc2)C1 69917635 DWGFBUBJWRSVSF-YESZJQIVSA-N 313.376 2.989 0 40 DFAB CCCCOc1ccc(C(=O)Nc2nnnn2CCC)cc1 6264444 ILMMUCXTDJVPHR-UHFFFAOYSA-N 303.366 2.514 0 40 DFAB NC(=O)CCN(C(=O)c1cc2ccccc2o1)c1ccccc1 8775270 KCJQQYQRJOYVPX-UHFFFAOYSA-N 308.337 2.955 0 40 DFAB COc1ccc(CN(CC(N)=O)[C@H](C)Cc2cccs2)cc1 14138932 RLCJRJHFGIORIJ-CYBMUJFWSA-N 318.442 2.675 0 40 DFAB CC(C)OCCCNC(=O)CCC(=O)NCCC1=CCCCC1 4590890 KLBYZLCCUOFGTE-UHFFFAOYSA-N 324.465 2.705 0 40 DFAB CCc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 6533298 RPCORMIEUQGVTF-SECBINFHSA-N 302.403 2.567 0 40 DFAB NC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2)c1 14796624 STYGKJRMXRNKAK-UHFFFAOYSA-N 303.749 2.761 0 40 DFAB CCN1C[C@@H](C(=O)Nc2cccc(SC(F)F)c2)CC1=O 66554563 HKWGTIOQKXVGMF-VIFPVBQESA-N 314.357 2.808 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)o1 4931533 VAVXNJHUYOTSFI-ITDIGPHOSA-N 307.390 2.994 0 40 DFAB COc1ccc(-c2nnc(SCCC(N)=O)n2C(C)C)cc1 7139068 CRUBAFJZCPFVLY-UHFFFAOYSA-N 320.418 2.502 0 40 DFAB CCNc1nc(S[C@H]2C[C@@H](C)OC2=O)nc2ccccc12 8942235 MAYZOMIIJJNLBC-SKDRFNHKSA-N 303.387 2.858 0 40 DFAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccccc2F)cc1 7312616 XWUCJZDWIHKACF-UHFFFAOYSA-N 314.360 2.985 0 40 DFAB CCn1cnnc1C1CCN(C(=O)CCc2ccccc2)CC1 68487941 NTFOHXKSWJHSKL-UHFFFAOYSA-N 312.417 2.637 0 40 DFAB CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C)c(C)s1 91042978 RJHCMXQNCRJQTG-RYUDHWBXSA-N 303.449 2.601 0 40 DFAB C[C@H](CC[C@H]1CCCO1)NS(=O)(=O)Cc1cccc(F)c1 68908101 KTMXBWRHZDAARZ-IUODEOHRSA-N 315.410 2.593 0 40 DFAB COc1cc(F)ccc1NC(=O)NCc1ccccc1CO 69030074 GWBYMFKWNQNDTN-UHFFFAOYSA-N 304.321 2.648 0 40 DFAB COCCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 409130729 UMKQJWVAAHYSPX-NTEUORMPSA-N 316.382 2.861 0 40 DFAB CC[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 69203498 GQCUXPHGUSHQJV-RYUDHWBXSA-N 311.376 2.889 0 40 DFAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccccc2)CC1 19889927 VBCMGHBBASXMCY-WMZOPIPTSA-N 316.445 2.788 0 40 DFAB Fc1ccc(CN2CCn3c(nnc3C3CC3)C2)c2ncccc12 71880278 OZADNBDLQGSVQX-UHFFFAOYSA-N 323.375 2.859 0 40 DFAB CCOc1ccccc1NC(=O)c1ccc(-n2cccn2)nc1 19910412 ZUGDOXKFRVRGGL-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB CN(C)C1(C(=O)N2CCC(COc3ccccc3)CC2)CCC1 83847849 RXWDGURNXYOWJJ-UHFFFAOYSA-N 316.445 2.788 0 40 DFAB C[C@@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1ccncc1 72270043 FHNRRHOCDAGFBH-LLVKDONJSA-N 321.327 2.799 0 40 DFAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1nc[nH]n1 72294463 SDILLEHHQAUJSK-GFCCVEGCSA-N 324.837 2.959 0 40 DFAB C[C@@H](CC(=O)O)NC(=O)/C=C/c1cc(Br)cs1 97019329 BAMZUMRONLMCSU-AIYRYJHASA-N 318.192 2.503 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 97055217 HOBDTJGTMRMKJF-QMCVQRASSA-N 300.402 2.583 0 40 DFAB CC[C@H](NC(=O)N[C@@H](C)Cn1nc(C)cc1C)c1nccs1 76018553 LTSVAXGDOXFZSP-AAEUAGOBSA-N 321.450 2.795 0 40 DFAB COCCOc1ncccc1NC(=O)N(C)Cc1ccccc1 78469220 OIKZVYYUKIVKCI-UHFFFAOYSA-N 315.373 2.771 0 40 DFAB C[C@@H]1CCN(CC(=O)Nc2nncs2)[C@H](c2ccco2)C1 72905499 FBJFMTYXUQFOQV-MNOVXSKESA-N 306.391 2.543 0 40 DFAB COC(=O)c1cc(OC)c2cc(F)cc(Br)c2n1 98180944 AQDMZIQDJNENRB-UHFFFAOYSA-N 314.110 2.932 0 40 DFAB C[C@@](O)(CNC(=O)c1cc2ccccc2[nH]1)c1cccs1 78963865 SIAOKNSPEGZGNR-MRXNPFEDSA-N 300.383 2.867 0 40 DFAB CC[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(F)cc1 95968152 CXHBHKHWDRHNRQ-DLBZAZTESA-N 304.413 2.903 0 40 DFAB COc1ccccc1C[C@@H](C)N[C@@H]1CCCn2c(C)nnc21 95969044 DXEZNGYTLGTTMF-IUODEOHRSA-N 300.406 2.651 0 40 DFAB Cc1ccc2[nH]c(C(=O)N3CCC(n4ccnn4)CC3)cc2c1C 95979317 IGGRFJAJHHWUKX-UHFFFAOYSA-N 323.400 2.854 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)[nH]n1 75130210 QTRVNLWYPJAGHX-OAHLLOKOSA-N 315.421 2.690 0 40 DFAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc(=O)[nH]1 4314806 CSOVIFKJSDVXRN-UHFFFAOYSA-N 323.805 2.771 0 40 DFAB COC(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)OC 3847457 QUBDABGAJOMQTH-MSOLQXFVSA-N 301.386 2.670 0 40 DFAB biogenic O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1CCCO1 71886324 BMUXDZZLNMCCDV-SWLSCSKDSA-N 309.337 2.501 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]1CC2 123395551 IFRIPYPBJCUNAG-XDGVWVPWSA-N 308.462 2.866 0 40 DFAB CCn1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(C)no2)c1C 40714429 CTYVQOZAQXPDAZ-CYBMUJFWSA-N 317.393 2.579 0 40 DFAB CCCCOc1ccc(C(=O)N(C)c2cnn(C)c2)c(O)c1 190484350 AKQQRXPENISMJE-UHFFFAOYSA-N 303.362 2.581 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCCN1CCCCCC1 225037651 BJRAVVCYMKXOFJ-UHFFFAOYSA-N 310.825 2.954 0 40 DFAB CCNC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 225202841 HXTQGIPLCWTADF-UHFFFAOYSA-N 305.382 2.974 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CC[C@H](c2cccnc2)C1 573975469 RNZHTPPFCLTASP-GOEBONIOSA-N 300.333 2.836 0 40 DFAB O=c1ccc(F)cn1Cc1nn(-c2ccccc2)c2c1CCC2 190747305 LHCJXUZQMKRIFM-UHFFFAOYSA-N 309.344 2.710 0 40 DFAB COc1ccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)c(F)c1 44918970 PIMGTURCKFLNCH-UHFFFAOYSA-N 318.348 2.673 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)Nc1ccccc1Cl 75157683 CHPWICZFTAIPBF-CYBMUJFWSA-N 302.827 2.966 0 40 DFAB CN1C[C@@H](C(=O)NCc2ccccc2F)[C@@H](c2ccccc2)C1 226848943 OSTXRHISGYOSDD-IAGOWNOFSA-N 312.388 2.787 0 40 DFAB CC[C@H](NC(=O)c1cccc(=O)[nH]1)c1ccc(OC(F)F)cc1 225776032 ZSPXLSGSNAPKIR-LBPRGKRZSA-N 322.311 2.857 0 40 DFAB CCn1nc(C)cc1C(=O)NC[C@@H](C)Oc1ccccc1F 80752022 ZBEBKVKWFFKEDH-GFCCVEGCSA-N 305.353 2.548 0 40 DFAB Cc1ccc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)o1 192056067 DZYYAOWZGIAJIK-KBXCAEBGSA-N 301.386 2.948 0 40 DFAB C[S@@](=O)c1ccc(CN2CCOc3cc(F)ccc32)cc1 225602632 SDBJOQRDKDWJPP-OAQYLSRUSA-N 305.374 2.962 0 40 DFAB COC(=O)[C@H](C)CNC(=O)Nc1cccc(CC(F)(F)F)c1 86301312 HAPGBCRGUCMMCK-SECBINFHSA-N 318.295 2.722 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 230104537 PHDASTMLKJHLPW-OALUTQOASA-N 308.425 2.957 0 40 DFAB O=C(CCn1ncc2ccc(Cl)cc21)NCc1ccco1 96181964 RNJNWWNHFJNMAN-UHFFFAOYSA-N 303.749 2.989 0 40 DFAB CC(=O)c1ccc(N(C)C)cc1OCC(=O)N1CCCCCC1 97375738 AUBMNXBENNNSDX-UHFFFAOYSA-N 318.417 2.737 0 40 DFAB Cc1ccc(NC[C@@H]2CCN(Cc3nc(C4CC4)no3)C2)nc1 97200827 GEPMROZPPXIUOL-ZDUSSCGKSA-N 313.405 2.584 0 40 DFAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1c(F)cccc1Cl 96450756 DZDZFUOPBDRALX-BXUZGUMPSA-N 317.813 2.856 0 40 DFAB O=C(NC1CCN(c2nccs2)CC1)c1c(F)cccc1F 96099823 DNEUKXXLIKJPEP-UHFFFAOYSA-N 323.368 2.820 0 40 DFAB Cc1ncsc1CCN1CCN([C@H](C)c2cccnc2)CC1 96424327 DMQDXYCCGDMTHS-OAHLLOKOSA-N 316.474 2.768 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)C1 96193006 QDCAMYDUCZEJMX-PXAZEXFGSA-N 304.365 2.967 0 40 DFAB O=C(Cn1cccn1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 96420581 VHMOWYJHMBFKML-GFCCVEGCSA-N 317.698 2.956 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CCc1ccc(F)cc1F)C(=O)O 95749179 VIAQJZIBBDDLGW-LBPRGKRZSA-N 315.316 2.875 0 40 DFAB CC(=O)Nc1cccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 248575439 UUEKHXOHYNGEDK-OIISXLGYSA-N 316.401 2.863 0 40 DFAB Cc1noc([C@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)n1 583620543 ZEEDSNLBBBBIPE-HNNXBMFYSA-N 324.384 2.657 0 40 DFAB Cc1cc(-c2nccnc2[C@@H]2CCCN2C(=O)C(C)(C)C)[nH]n1 257208938 BODVXSUBWXNARF-ZDUSSCGKSA-N 313.405 2.885 0 40 DFAB CC(=O)N1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 257300912 RWFCDIZTBYWJOD-AWEZNQCLSA-N 313.405 2.647 0 40 DFAB c1c[nH]c(-c2nccnc2[C@H]2CCCN2Cc2cscn2)n1 257294149 QSTSJPXGGGQECX-GFCCVEGCSA-N 312.402 2.660 0 40 DFAB CO[C@@H]1CCCOC12CCN(C(=O)c1cccc(C)c1)CC2 257252923 JWRTXOKZVHMLMI-MRXNPFEDSA-N 303.402 2.795 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257300295 RTTFONBGXSEWTF-OAHLLOKOSA-N 323.400 2.662 0 40 DFAB Cn1nccc1-c1cnc([C@@H]2CCCN2C(=O)C(C)(C)C)cn1 257335444 YKENBZUSEAJWNP-HNNXBMFYSA-N 313.405 2.587 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCN(c2ccccn2)C1 153078870 FQLGUPGOOROXNT-HNNXBMFYSA-N 320.396 2.501 0 40 DFAB Cc1noc2ncnc(N[C@@H](CO)c3cccc(Cl)c3)c12 1548453546 RAQGIAUVRFWGEA-NSHDSACASA-N 304.737 2.725 0 40 DFAB C[C@@H]1C[C@H](NCc2ccc(CO)o2)CCN1Cc1ccccc1 96456803 QHLLEJNLRGXVNV-NVXWUHKLSA-N 314.429 2.915 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 5680875 TXOMNAOOAVRNAI-LBPRGKRZSA-N 303.333 2.918 0 40 DFAB O=C(COC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 5117902 GZSUKYDBLIYLAB-UHFFFAOYSA-N 316.284 2.637 0 40 DFAB CC(C)C(=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12117169 CSALEZGGAYSINQ-HNNXBMFYSA-N 310.401 2.901 0 40 DFAB COC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 12326671 VIBQHSBISKEQFP-UHFFFAOYSA-N 319.332 2.993 0 40 DFAB O=c1n(Cc2ccncc2)c2cccnc2n1Cc1cccs1 19346660 RQYXAXJMRPKUJW-UHFFFAOYSA-N 322.393 2.751 0 40 DFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)CC[C@H]1CCCO1 19586041 BXVPXZBPIAHMTA-WBVHZDCISA-N 303.402 2.718 0 40 DFAB Cc1cc(-c2cn[nH]c2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691069 KGINJGPQFHPISR-SFHVURJKSA-N 322.416 2.851 0 40 DFAB Cc1noc(C)c1NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103988357 VOZXQQWYAWZQSQ-QJRTVWDNSA-N 304.390 2.951 0 40 DFAB Cc1ccc(-c2nnc(CNC(=O)c3cccc(F)c3)o2)cn1 19215314 BMJSAAANIDQFEG-UHFFFAOYSA-N 312.304 2.509 0 40 DFAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 23224642 XSNOOYTZFDPXTQ-OAGGEKHMSA-N 307.434 2.659 0 40 DFAB CCc1ncnc(N2CC[C@@H](Oc3ccncc3C)C2)c1F 1889092430 AJXIYAKXORZIAI-GFCCVEGCSA-N 302.353 2.539 0 40 DFAB CCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O 2975992 NTFMLJZJBYYPKO-UHFFFAOYSA-N 319.430 2.696 0 40 DFAB CCS(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 8961196 OOMIKSUPAROLIX-UHFFFAOYSA-N 318.354 2.806 0 40 DFAB O=C(c1ccc(-c2ccsc2)cc1)N1CC(Cn2ccnn2)C1 1775966462 FXIDZTVMHMRWSZ-UHFFFAOYSA-N 324.409 2.779 0 40 DFAB c1ccc(N2C[C@@H]3CN(Cc4cc(C5CC5)on4)C[C@@H]3C2)nc1 2298049371 FPDAUCKMUHGBBR-GASCZTMLSA-N 310.401 2.515 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23077961 SWQRXIRXRCMEGM-BLLLJJGKSA-N 304.415 2.696 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccc(Cl)cc3)nc2s1 30286051 PLWSZCOSBKGHSJ-UHFFFAOYSA-N 320.805 2.979 0 40 DFAB COc1cccc(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 40108331 ISCTZBMOIZNFQB-RHSMWYFYSA-N 305.418 2.949 0 40 DFAB Cc1nc2ccccc2nc1Cn1cnc2sccc2c1=O 40464736 WROANSOCCVDFHK-UHFFFAOYSA-N 308.366 2.758 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)OC[C@H]1C 45525239 IMLWOHYUMKMZGT-GHMZBOCLSA-N 302.349 2.932 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cccc(CS(C)(=O)=O)c1 17334389 MFQDYCSGCXDOAL-UHFFFAOYSA-N 317.410 2.503 0 40 DFAB CC(=O)Nc1nc(C(=O)Nc2ccc(N(C)C)cc2C)cs1 40535904 WEGMNRMPWNMPMN-UHFFFAOYSA-N 318.402 2.728 0 40 DFAB Cc1c(Br)c(C(=O)N2CCCC[C@H]2C)nn1C 2776790 XCZORCVCSRRDGL-MRVPVSSYSA-N 300.200 2.506 0 40 DFAB COc1ccc2oc(C(=O)OCC(=O)NCC(C)C)c(C)c2c1 4524769 ZYGKSMBURSHXAV-UHFFFAOYSA-N 319.357 2.679 0 40 DFAB COc1cccc(C(=O)CSc2nc3cccnc3n2C)c1 4852720 UBEJDQAZXCGLCH-UHFFFAOYSA-N 313.382 2.952 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)CCc2ccccc2)n1 6645838 AXABFIWJOSKBRU-UHFFFAOYSA-N 318.398 2.820 0 40 DFAB Cc1cc(COC(=O)c2cc(Br)ccc2O)no1 7067925 PLPJZJHSHCBXHX-UHFFFAOYSA-N 312.119 2.808 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NCc2ccco2)c1 7369003 BDBBNOSATUYMJE-UHFFFAOYSA-N 304.371 2.943 0 40 DFAB Cc1cccn2c(=O)cc(CN[C@@H](C)c3cccc(F)c3)nc12 45911833 SFVBXXFZLGZWJL-ZDUSSCGKSA-N 311.360 2.993 0 40 DFAB 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0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccco1 14186082 AOMVNMLZDIKHEH-SECBINFHSA-N 302.355 2.815 0 40 DFAB O=S(=O)(NC1CCCCCC1)c1ccc(-n2cccn2)cc1 6939280 SNPOXGWGQORMIC-UHFFFAOYSA-N 319.430 2.873 0 40 DFAB COC(=O)c1cc(/C=C/C(=O)N[C@@H](C)c2ccccn2)oc1C 9114316 QMBGCXZCAJBZIN-AEZGRPFRSA-N 314.341 2.660 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@@H](C2=Cc3ccccc3OC2)N1 9338249 SKGSDASLDUVDOT-INIZCTEOSA-N 317.352 2.560 0 40 DFAB CC(C)(C)c1cc(NC(=O)N2CCC[C@H](O)C2)n(C(C)(C)C)n1 78648278 SZRKOFNEHNPKBX-LBPRGKRZSA-N 322.453 2.924 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1ccnn1-c1ccccc1C 72282033 GUWIUFQKWACIJY-AWEZNQCLSA-N 317.389 2.561 0 40 DFAB CNC(=O)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1 96441740 OPSXSOHHSZBYTR-GOSISDBHSA-N 310.397 2.620 0 40 DFAB COC(=O)N(C)CCCC(=O)N[C@H]1C[C@H]1c1ccccc1Cl 71847526 UFSLQAKXPSLNMD-JSGCOSHPSA-N 324.808 2.791 0 40 DFAB Cc1ccccc1CN1CCCN(C(=O)c2c[nH]cc2C)CC1 71811827 KJRKEEHDXMHEAV-UHFFFAOYSA-N 311.429 2.980 0 40 DFAB Cc1nc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)oc1C 71824614 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CC(=O)c1cn(CCC(=O)N[C@@H]2CCCOC2)c2ccccc12 12148336 DVTAWKXWPRZHEN-CQSZACIVSA-N 314.385 2.529 0 40 DFAB COC[C@H](C)NC(=S)NCc1ccc(Cl)cc1Cl 16238206 IIISPMTUWVJYTH-QMMMGPOBSA-N 307.246 2.992 0 40 DFAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccn1)C2=O 19326002 CPOIBDQYGWMZJE-UHFFFAOYSA-N 313.445 2.579 0 40 DFAB Cc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 5589226 JYAOLVQJRFQKIW-SSZFMOIBSA-N 321.380 2.844 0 40 DFAB CCCc1nnsc1C(=O)N1CCC[C@H](c2n[nH]cc2C)C1 607853845 GPKDBTWXJDIKDG-NSHDSACASA-N 319.434 2.542 0 40 DFAB CC(C)CCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 3354677 HJFSZCBKENQMCF-CYBMUJFWSA-N 312.797 2.758 0 40 DFAB CN(c1ccccn1)C1CCN(c2ncnc3cnccc23)CC1 1889148844 ODJXUWCLQMWVEQ-UHFFFAOYSA-N 320.400 2.525 0 40 DFAB Cc1ccc(OCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)nn1 1775995268 KVQIIELQEWHQSB-INIZCTEOSA-N 315.417 2.759 0 40 DFAB O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1cc(F)ccc1F 40525759 JRLIUCKKOXMZJX-CQSZACIVSA-N 310.275 2.959 0 40 DFAB COc1nn(C)cc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 245187624 ZRHBNHYMWFHEBL-NSHDSACASA-N 313.357 2.536 0 40 DFAB CC(C)CN1CC[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]2CC1 2056224340 YUFWGACIXUTLCO-IYBDPMFKSA-N 319.424 2.661 0 40 DFAB O=c1[nH]c(Nc2ccc(F)cc2)nnc1Cc1ccc(F)cc1 5154410 WMXRRTXBHBWBQQ-UHFFFAOYSA-N 314.295 2.778 0 40 DFAB Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1C 99185 VDRILQVSIBPJFL-UHFFFAOYSA-N 315.398 2.703 0 40 DFAB Cn1c(=O)c([S@](=O)C2CCCCC2)c(O)c2ccccc21 100630796 HPBONSLETWERSP-NRFANRHFSA-N 305.399 2.684 0 40 DFAB O=C(COCC1CC1)Nc1c2c(nn1-c1ccccc1)CCC2 40548445 WBRFZLGWXFVZCL-UHFFFAOYSA-N 311.385 2.726 0 40 DFAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCCO1 28856011 RPATWHNBSBHJQU-OAHLLOKOSA-N 314.337 2.504 0 40 DFAB COC(=O)c1sccc1NC(=O)CN(C)Cc1ccccc1 28901951 PBFZAKOCLZLKPC-UHFFFAOYSA-N 318.398 2.605 0 40 DFAB Cc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 7389753 XCBOUJAGQVEAGO-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB CCc1nccn1S(=O)(=O)c1cc(C(C)(C)C)ccc1OC 7425071 AEGMTIBANSYVJY-UHFFFAOYSA-N 322.430 2.989 0 40 DFAB CNC(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2F)c[nH]1 3069896 RZYQCSCBFAFYMU-UHFFFAOYSA-N 314.238 2.763 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1 3405185 CDCUYPPWDTZJTF-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB COc1ccc(C(=O)N2CCN(C)CC2)cc1-c1ccccc1 51468184 YJUOSUIKFHMRAX-UHFFFAOYSA-N 310.397 2.750 0 40 DFAB O=C(COCc1cc(-c2cccs2)on1)NC1CCCC1 6876484 MJZUDGOUEJNBSZ-UHFFFAOYSA-N 306.387 2.979 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc2ccccn12 102252964 JLOHXJVFQIFKPW-FRRDWIJNSA-N 318.446 2.762 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(C)ccc2N2CCCC2)CCO1 71909734 JXUAJVLALWDBBN-HNNXBMFYSA-N 302.418 2.846 0 40 DFAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(S(C)(=O)=O)cc1 10967706 FBVSVQSTNLJNMQ-LLVKDONJSA-N 321.373 2.720 0 40 DFAB CNC(=S)N(Cc1ccccc1O)c1ccccc1OC 7581848 VTECRCGQTDMWNO-UHFFFAOYSA-N 302.399 2.912 0 40 DFAB Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)C2CCOCC2)C1 71915770 PNUOPAGRTXGNER-GJZGRUSLSA-N 323.458 2.682 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc[n+]([O-])cc2)C2CC2)o1 41895007 PCHXOMUPSGKLGF-LRDDRELGSA-N 312.369 2.841 0 40 DFAB C[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1cccs1 37417065 RQDJPULNIXRGPW-ZETCQYMHSA-N 317.413 2.547 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Sc1nncn1C1CC1 22542190 FHIHGLMJTAAVMU-SNVBAGLBSA-N 318.402 2.741 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2O)CC1 104259434 UMSWYEORONFARM-HRCADAONSA-N 314.429 2.867 0 40 DFAB C[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc2c(c1)OCO2 54056085 GTNCIRDWOZEZAY-MRVPVSSYSA-N 319.748 2.736 0 40 DFAB CN(Cc1ccccc1Br)C(=O)c1cnccn1 23572416 OWWDUNBPAYICSI-UHFFFAOYSA-N 306.163 2.511 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20141687 MOMMQTYPDQANBT-UHFFFAOYSA-N 301.298 2.741 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c(C)n1C1CC1 24991142 DWWVZMIJLPLCRW-INIZCTEOSA-N 312.417 2.981 0 40 DFAB CCCc1nnc(NC(=O)NC[C@H]2Cc3ccccc3O2)s1 43555975 RSAWNRMSTWVBOY-LLVKDONJSA-N 318.402 2.616 0 40 DFAB COC[C@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245545 QKKMJLDLMILWAM-NSHDSACASA-N 319.430 2.984 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 107338137 SCQDDUCEHOVXAR-AJNGGQMLSA-N 322.449 2.938 0 40 DFAB Cn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 21354959 DWFOYTQELBTRBG-UHFFFAOYSA-N 316.357 2.920 0 40 DFAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)s1 26572073 RVHGUXFVKNWJRK-UHFFFAOYSA-N 320.389 2.664 0 40 DFAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 27697086 CVOUJRLVOOOHOC-LLVKDONJSA-N 301.317 2.974 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2cccc[n+]2[O-])c(C)c1 3222838 DXEQFNXJFPMZRB-UHFFFAOYSA-N 302.399 2.976 0 40 DFAB CCc1ccc(NC(=O)CC2CCCCC2)cc1S(N)(=O)=O 58130076 HSHDQPRQSBURNC-UHFFFAOYSA-N 324.446 2.805 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)O)c1 3273271 PLCZRRCHKZJLIM-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB COCc1cccc(NC(=O)NCCCc2cn[nH]c2C)c1 58309743 CQSVKDHANBOBLC-UHFFFAOYSA-N 302.378 2.619 0 40 DFAB COc1ccc(CC(=O)NCCOc2ccccc2F)cc1 3343189 GCMODHGSZUYBIU-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB CCOC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 12891076 MIODVKZOPLAAOB-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB COc1cccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)c1 3598075 SJHKGGROVOEMGY-SOFGYWHQSA-N 311.337 2.754 0 40 DFAB Cc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1 3651476 HLXAZOAKXMVZDU-RVDMUPIBSA-N 319.389 2.674 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 3886235 USQRXJNEDRBRPG-CHWSQXEVSA-N 305.374 2.676 0 40 DFAB Cc1cc(-n2c(C)cc(-c3csc(CC(N)=O)n3)c2C)no1 8042268 HHTXMJXZPUNRAZ-UHFFFAOYSA-N 316.386 2.542 0 40 DFAB COc1ccc(CNc2nc(C)c(C(=O)O)s2)cc1OC 8018820 GZYXKIIHMVPGFX-UHFFFAOYSA-N 308.359 2.779 0 40 DFAB Oc1nc(Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1 16777466 YSHYCPSUIIGVEA-UHFFFAOYSA-N 322.324 2.759 0 40 DFAB COc1cc2nc(-c3ccc(C(C)=O)cc3)[nH]c(=O)c2cc1OC 65578803 QOYLCKDBDLKQIP-UHFFFAOYSA-N 324.336 2.810 0 40 DFAB COC(=O)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 65575705 GKDAMRYKHWASNM-UHFFFAOYSA-N 300.145 2.733 0 40 DFAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCCCCC1 16827190 MMUYVNKRWBZCLD-ZDUSSCGKSA-N 315.369 2.963 0 40 DFAB COC(=O)c1cnc(/C=C/c2ccc(-n3cncn3)cc2)s1 70039757 PWHQLEHPRCRNHW-QPJJXVBHSA-N 312.354 2.681 0 40 DFAB CC(=O)N1C[C@@H](C(=O)NC2CCCCCC2)Oc2ccccc21 6585364 YBUVOMOZIFQICC-KRWDZBQOSA-N 316.401 2.640 0 40 DFAB O=C(/C=C/c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 6624539 FXDMXAOZVANHKY-ZUQFGZKASA-N 320.392 2.507 0 40 DFAB biogenic O=C(COC(=O)c1[nH]nc2ccccc12)c1cc(F)ccc1F 5827299 OIBSHFJNIHXKSU-UHFFFAOYSA-N 316.263 2.881 0 40 DFAB O=C(CSc1ccc(F)c(F)c1)NO[C@@H]1CCCCO1 69415093 CRCXGQRSJYPFHO-CYBMUJFWSA-N 303.330 2.631 0 40 DFAB CC(=O)c1cccc(NC(=O)N2CCC(n3ccnc3)CC2)c1 69486096 LGOOCXHUIJNHOT-UHFFFAOYSA-N 312.373 2.955 0 40 DFAB COc1ccccc1N1CCN(C(=O)c2ccc(C)o2)CC1 5935878 SFCOYROOYLHBKK-UHFFFAOYSA-N 300.358 2.559 0 40 DFAB COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](O)C2)cc1 83950000 WQDUAVDEUCYELR-CQSZACIVSA-N 312.369 2.646 0 40 DFAB CC(=O)NCC(=O)N1CCCCC[C@H]1/C=C/c1cccs1 96008802 RTDHHBCZWYTGKK-VFNNOXKTSA-N 306.431 2.669 0 40 DFAB C[C@@H](NC(=O)c1csc2c1CCCC2)c1nnc2n1CCC2 89913820 RDFRDJZQHVJNND-SNVBAGLBSA-N 316.430 2.656 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N1CCO[C@@H](C)[C@H]1C 96499582 VQFPENABWYHLPZ-KGLIPLIRSA-N 318.421 2.631 0 40 DFAB O=C(c1cnccn1)N1CCOc2ccc(C(F)(F)F)cc21 96473796 NUZSLEIVYGZVFJ-UHFFFAOYSA-N 309.247 2.535 0 40 DFAB CCN(Cc1ccccn1)C(=O)NCc1cn2c(C)cccc2n1 84159961 GXICNJCVTQRISW-UHFFFAOYSA-N 323.400 2.769 0 40 DFAB Cc1c([C@H](NC(=O)[C@H]2COCCO2)C(C)C)oc2ccccc12 71899799 BTGQEMAWZTVILI-HZPDHXFCSA-N 317.385 2.970 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 72295717 CHUFRNSMGRGYKL-JKSUJKDBSA-N 305.418 2.685 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)C2 72295327 JLXRZXBFMPTMME-XHSDSOJGSA-N 301.434 2.839 0 40 DFAB COc1ccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1 72270814 RTGSTIDKYXYQKJ-GJZGRUSLSA-N 300.362 2.807 0 40 DFAB COC(=O)c1ccccc1NC(=O)N(C)CCc1ccccn1 97087184 JPLBCUQYMPKOFB-UHFFFAOYSA-N 313.357 2.575 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2ccc(F)cc2)c1 72333828 WPLZNPNGWCLEGC-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB COCc1nc(COc2ccc(Cl)c3cccnc23)no1 97235913 HNROAIYLRPZICQ-UHFFFAOYSA-N 305.721 2.997 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)nn1C(C)(C)C 76051713 XZQZEYZGLYQCMC-XJKSGUPXSA-N 320.481 2.784 0 40 DFAB CCc1ccccc1NC(=O)CNC(=O)c1cc(OC)cs1 76094056 AXZTZHXDFJHGKD-UHFFFAOYSA-N 318.398 2.688 0 40 DFAB CC(C)Cn1c(C(=S)N2CCOCC2)nc2ccccc21 76555469 WBIVECQAPZOZJV-UHFFFAOYSA-N 303.431 2.700 0 40 DFAB NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)c1 95396164 AZIOUVQDXIMWCO-DLBZAZTESA-N 324.380 2.515 0 40 DFAB NC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 95348561 PPZXNTGERUTALA-QGZVFWFLSA-N 310.397 2.573 0 40 DFAB O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc2c(c1)COC2 95396418 QOTWOIZABYKXJO-UHFFFAOYSA-N 314.366 2.999 0 40 DFAB O=C(NC[C@@H]1CCCO1)N1CC[C@@H](Cc2ccc(F)cc2)C1 77538703 RMORHVHIPMEWPC-HOCLYGCPSA-N 306.381 2.579 0 40 DFAB CN(CCc1cnccn1)Cc1cc(Cl)c2c(c1)OCCO2 95458258 XBUXZVXNCLZZDR-UHFFFAOYSA-N 319.792 2.576 0 40 DFAB CCCS(=O)(=O)NCCc1nc(-c2ccccc2)c(C)s1 79062566 VRKDWBBSOJMVBK-UHFFFAOYSA-N 324.471 2.990 0 40 DFAB CC1CCC(N(C(=O)C2CCC(C(N)=O)CC2)C2CC2)CC1 95956383 JVHXCJAXLWOCHC-UHFFFAOYSA-N 306.450 2.848 0 40 DFAB CC(C)[C@H](C)CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 95960827 APPBTNSSOPCVJX-CYBMUJFWSA-N 324.856 2.859 0 40 DFAB O=C(c1ccc[nH]1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 89369999 QZBQLVUUVMUTTH-AWEZNQCLSA-N 322.311 2.830 0 40 DFAB Cc1ccccc1CCCN1CCN(C[C@H]2CCOC2)CC1 89689329 TYLTUGQMOXCURJ-GOSISDBHSA-N 302.462 2.582 0 40 DFAB Cc1cc(N)nc(SCCC(=O)Nc2cc(F)cc(F)c2)n1 89600626 XEEDHPGYIMDNIJ-UHFFFAOYSA-N 324.356 2.766 0 40 DFAB Cc1noc(C2CCN([C@@H](C(=O)O)c3ccccc3C)CC2)n1 521055760 BMHOHTVRMYMPDO-OAHLLOKOSA-N 315.373 2.692 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccccc2)c(-n2cnnc2)c1 32646914 BEZKPVLHBGKMSX-UHFFFAOYSA-N 322.368 2.847 0 40 DFAB Cc1cnc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)cn1 60363919 GTGTUBAYHDKAMO-UHFFFAOYSA-N 315.283 2.706 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@@H](C)c2cncc(F)c2)c1C 556740011 MEULGQKLPYJWGI-JTQLQIEISA-N 319.384 2.614 0 40 DFAB Cc1cccc(NC(=O)CSc2nnc(C)c(C)n2)c1C 35289542 HTYXTCDUBNSPBL-UHFFFAOYSA-N 302.403 2.836 0 40 DFAB COCCn1c(C(=O)NCc2cccn2C)cc2ccccc21 75352408 BDLMEGVJVRNCFF-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB COC(=O)[C@@H](C)[C@@H](NCc1c(C)noc1C)c1ccccc1 79922824 YOSKVEKFFYOLOU-MEDUHNTESA-N 302.374 2.931 0 40 DFAB Cc1cc(CN(C)CCc2ccncc2)ccc1-n1cncn1 183762030 OPGSULPPQOAQKS-UHFFFAOYSA-N 307.401 2.645 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 33146052 FSXJITGRCVQNQQ-INIZCTEOSA-N 324.336 2.605 0 40 DFAB COc1ccc(CN2C(=O)[C@H]3CCCN3c3ncccc32)cc1 72324301 KVMOIPGCEIEOJJ-MRXNPFEDSA-N 309.369 2.606 0 40 DFAB CS(=O)(=O)c1nnc(CSCC2CCCCC2)s1 189472071 ODSFDRFSXFXPSY-UHFFFAOYSA-N 306.478 2.755 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 130201961 KTYZLQORCYOVIP-SRVKXCTJSA-N 307.360 2.501 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)CSC)cc1 80380917 QSFJHRJEGKAKJY-SNVBAGLBSA-N 305.403 2.567 0 40 DFAB Cc1ccc(CCN2Cc3nc(N4CCCC4)ncc3C2=O)cc1 46088083 DQVURYQXZIVUNJ-UHFFFAOYSA-N 322.412 2.584 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)cc1F 87294827 LXJXIKKXEUKINA-YVEFUNNKSA-N 320.364 2.995 0 40 DFAB CCN(C(=O)CN1CCCOC1=O)[C@H](C)c1ccc(F)cc1 84583818 CTMVPINBBUXCBZ-GFCCVEGCSA-N 308.353 2.578 0 40 DFAB CC(=O)N(c1nc(CNc2cccc(CO)c2)cs1)C1CC1 191945773 LLIMMWQQYJCDIX-UHFFFAOYSA-N 317.414 2.763 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1snnc1-c1ccc(Cl)cc1 225769137 AGOSAOQBMQDOQK-NSHDSACASA-N 323.805 2.767 0 40 DFAB COC(=O)CN1CCC(COCc2ccc(Cl)cc2)CC1 75156585 SFQZXJQCXGJOST-UHFFFAOYSA-N 311.809 2.742 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)C1 97231357 CSHSIVPDIHBJRS-QOKNQOGYSA-N 313.397 2.604 0 40 DFAB O=C(Nc1ccccc1)N1CCC2(CN(Cc3ccncc3)C2)C1 96202466 IPWDTVCWEKZYNE-UHFFFAOYSA-N 322.412 2.821 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)Cc1cccs1 96431652 QAGWYWOWLMGOJV-GFCCVEGCSA-N 305.399 2.883 0 40 DFAB Cc1cnc(CCN(C)Cc2nnc(-c3cccs3)[nH]2)s1 97370325 YLFNEQMJYFIGBM-UHFFFAOYSA-N 319.459 2.973 0 40 DFAB O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3ccoc3)CC2)N1 96199581 FLUONLIZGYPAKV-KRWDZBQOSA-N 310.397 2.918 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)NCCc2csc3ccccc23)C1 97372698 QDQGGOWLIUVLEV-QWHCGFSZSA-N 318.442 2.856 0 40 DFAB O=C(CNCC(F)(F)F)N[C@H](c1cc(F)ccc1F)C1CC1 96432680 ULQCQMIQENRIHQ-ZDUSSCGKSA-N 322.277 2.684 0 40 DFAB O=C(c1ccsc1)N1CCC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 96073531 GPBQRWPCXMHUJX-NVXWUHKLSA-N 321.442 2.938 0 40 DFAB CC(C)c1cccc(CSc2nnc(Cn3cncn3)o2)n1 95451645 OJZCFLVYALFNAS-UHFFFAOYSA-N 316.390 2.520 0 40 DFAB CC(=O)N1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257204691 AVXQBKPOSJHTCR-BQFCYCMXSA-N 318.392 2.937 0 40 DFAB CO[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)C[C@@]12CCCO2 257200213 ACLBXDDCGJJOBD-RDJZCZTQSA-N 307.365 2.544 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)ccn1 257245689 IQQDCQZHDZLPPN-INIZCTEOSA-N 316.426 2.903 0 40 DFAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cscn2)nc1 257230798 GDYNOEGICPFDJF-MRXNPFEDSA-N 316.430 2.511 0 40 DFAB CCCCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575404261 MJPLMMFQIFRSGM-ZDUSSCGKSA-N 322.380 2.550 0 40 DFAB CN1CC[C@@H](COc2ccccn2)CC12CN(C1CCCC1)C2 585102587 BASDIDUFPVOYTN-MRXNPFEDSA-N 315.461 2.799 0 40 DFAB Cc1ccccc1[C@H]1[C@H](C(=O)O)CC(=O)N1CCc1ccccn1 69654110 JQSPNIRIIBLPRH-AEFFLSMTSA-N 324.380 2.607 0 40 DFAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cn2)cc1OC 69674877 HFTHPPNQMVRCGS-UHFFFAOYSA-N 322.386 2.516 0 40 DFAB O=C(NCc1nc(-c2ccsc2)no1)NC1CCCCC1 68463166 JHWKTQYJOLWZCA-UHFFFAOYSA-N 306.391 2.930 0 40 DFAB Cc1nnc(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)[nH]1 574196 IZFQEIDJOUNSGT-IZZDOVSWSA-N 320.330 2.548 0 40 DFAB Cc1nn(C)c(C(=O)N2[C@H](C)CCC[C@H]2C)c1Br 2776947 KEMSLCJTRKMENS-RKDXNWHRSA-N 314.227 2.894 0 40 DFAB CC[C@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccn2)n[nH]1 12147493 UUVVPQIKYVJZNW-INIZCTEOSA-N 321.384 2.880 0 40 DFAB CC(C)NC(=S)Nc1ccccc1I 13787328 FFCHYDZTVXCOAR-UHFFFAOYSA-N 320.199 2.986 0 40 DFAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 19498886 USRAKVMUDSSLRL-GOSISDBHSA-N 316.445 2.895 0 40 DFAB Cc1noc(C)c1C(=O)OCc1nc(-c2cccs2)no1 7294435 KVXGYKILESLORP-UHFFFAOYSA-N 305.315 2.760 0 40 DFAB O=C(COc1ccc(F)cc1F)N1CCOc2ccccc21 36763925 MXVRUUDJUASHMJ-UHFFFAOYSA-N 305.280 2.769 0 40 DFAB O=C(C1CCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912040 DMUMZXWNVUWZRC-SFHVURJKSA-N 321.392 2.748 0 40 DFAB CCC(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(F)cc1 79328 PKXCLKQALCSWGY-LBPRGKRZSA-N 304.243 2.531 0 40 DFAB CC(=O)c1s/c(=N\c2c(C)cccc2C)n(CCO)c1C 10187295 JXRGIGOQCJAINY-MSUUIHNZSA-N 304.415 2.902 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)C1(c2ccc(F)cc2)CC1 21695680 AFGKZACASHCOBG-UHFFFAOYSA-N 313.328 2.902 0 40 DFAB CCOc1ncc(NC(=O)Nc2ccccc2)c(N(C)C)n1 206730508 KFXIGMIJCSAXLR-UHFFFAOYSA-N 301.350 2.585 0 40 DFAB Cc1oncc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 575609704 DYPDHSQIHJLYOT-LBPRGKRZSA-N 318.354 2.768 0 40 DFAB COc1cc(OC)c(NC(=O)Cn2nc(C)cc2C)cc1Cl 31482447 FZXWKHFOFSECOD-UHFFFAOYSA-N 323.780 2.809 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)N(C)C=O 1593566 WUJUCFWTAHVUMR-MSOLQXFVSA-N 310.397 2.688 0 40 DFAB COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cn1 40653488 PJVJEYKUWOXDCH-UHFFFAOYSA-N 308.341 2.903 0 40 DFAB CC1CCC(C(=O)N[C@@H](C(=O)Nc2ccncc2)C(C)C)CC1 248161 XFOOPEAQNDHLSW-ZBCRRDGASA-N 317.433 2.987 0 40 DFAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1OC 20744962 OBDNXMIYTRGXJM-CYBMUJFWSA-N 305.359 2.851 0 40 DFAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 45936828 GBQOLSLJLDYOOG-LLVKDONJSA-N 316.279 2.695 0 40 DFAB O=c1cc(CSc2nncn2C2CC2)c2ccc(O)cc2o1 11722526 UMMBEZQVHNWDQQ-UHFFFAOYSA-N 315.354 2.717 0 40 DFAB O[C@@H](CN1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 29657891 BJDQQUHGDHZYTC-ZWKOTPCHSA-N 301.361 2.933 0 40 DFAB O=C(c1cnc2n1CCCC2)n1cccc/c1=N\C1CCCCC1 101762489 RIECRUNXFQTQMD-DYTRJAOYSA-N 324.428 2.943 0 40 DFAB O=C(NCCc1ccccn1)c1cccc(Nc2ncccn2)c1 32657637 CQDPOIDOPAIANT-UHFFFAOYSA-N 319.368 2.588 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 2633067 VEHAJOVWIAWYOP-GJZGRUSLSA-N 313.401 2.739 0 40 DFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1F 21512162 RFECRSNBJISVHT-SNVBAGLBSA-N 320.320 2.869 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(Cl)cc1N1CCCC1=O 52549628 XWMPSZQKTCMOTM-UHFFFAOYSA-N 320.698 2.759 0 40 DFAB CCC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909228 NPPYZIBRVHBRLZ-CQSZACIVSA-N 304.390 2.723 0 40 DFAB COC(=O)c1ccc(OCc2cc(C=O)ccc2OC)cc1 517398 CMRKNNHJCWZXEX-UHFFFAOYSA-N 300.310 2.873 0 40 DFAB biogenic CC(C)NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 69700525 GBXSIYWFYOYSSE-UHFFFAOYSA-N 313.283 2.816 0 40 DFAB Cc1ccsc1CCN[C@@H]1CC(=O)N(c2ccccc2)C1=O 22118533 XJCZEEUNSBNOGY-CQSZACIVSA-N 314.410 2.521 0 40 DFAB C[C@H](CNC(=O)c1ccc(Br)cc1Cl)C(=O)O 54333501 XTVPUEYQCMCRLO-ZCFIWIBFSA-N 320.570 2.553 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)/N=c1/sccn1C 47076724 OITUEPRTZDJUNX-FYWRMAATSA-N 305.384 2.853 0 40 DFAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(O)CC1 23993295 GBNPTRUZHSODTQ-ZDUSSCGKSA-N 304.434 2.768 0 40 DFAB COc1cc(CN[C@@H]2COc3ccccc3C2)cc(OC)c1O 42992743 SJSVEVCHRSBVOU-AWEZNQCLSA-N 315.369 2.503 0 40 DFAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1nncs1 43128657 PEPBSAJFJQXTHS-UHFFFAOYSA-N 300.746 2.995 0 40 DFAB Cc1cccc(C)c1OCCNC(=O)c1cccnc1S 47201230 LNPMCUDGLBHURI-UHFFFAOYSA-N 302.399 2.796 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCCO2)C1 106135198 IYXAZCKNJUKCAD-NXHRZFHOSA-N 316.445 2.897 0 40 DFAB O=C(CSc1ccccc1)N1CC[C@H](CN2CCCC2)C1 89847833 AVSGFEDOQLXBEJ-OAHLLOKOSA-N 304.459 2.723 0 40 DFAB C[C@@H]1CN(C)CC[C@H]1NC(=O)CCCCC(=O)c1ccccc1 106578302 KALWZJYXFVSXOL-NVXWUHKLSA-N 316.445 2.886 0 40 DFAB C=C1c2ccccc2NC(=O)N1C[C@H](C(C)C)N1CCOCC1 25064019 VOCFOCAZJFRWDH-QGZVFWFLSA-N 315.417 2.862 0 40 DFAB CCc1ccccc1NC(=O)N1CCC(NC(=O)C2CC2)CC1 43402551 BMLFSQNPOHXTMW-UHFFFAOYSA-N 315.417 2.772 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC(c2ccccc2)=NO1 107341806 AGXHDVLWRJDULZ-KBAYOESNSA-N 306.365 2.852 0 40 DFAB Cc1cccc(N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1C 12534695 XBPOIHBAKAGLRB-UHFFFAOYSA-N 323.440 2.725 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)c1 10085964 WHKLUWITBZYETG-UHFFFAOYSA-N 319.324 2.876 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N(C[C@@H]1CCOC1)C1CC1 44941426 VEBFDGLHAUPPQC-ZBFHGGJFSA-N 303.402 2.619 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(Cl)s1 44971184 XBJMBJOTQZJOTG-JTQLQIEISA-N 302.827 2.970 0 40 DFAB Cc1nc(C(=O)Nc2ccn(C)n2)nn1-c1ccccc1C(C)C 58323174 FSUMXYXZKWBJBH-UHFFFAOYSA-N 324.388 2.685 0 40 DFAB CN(CCc1ccccc1)C(=O)[C@H]1CCCN(c2ccccn2)C1 58567454 KFBMCWWPYHBLEM-SFHVURJKSA-N 323.440 2.999 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cccs2)cc1OC 3243816 QLZIPZJEGWSQNH-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB Nc1nccnc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 12741408 RTKGCRYHAKLVAD-SNVBAGLBSA-N 320.805 2.679 0 40 DFAB Cc1noc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n1 48368242 LNENNAAXLHVOLR-UHFFFAOYSA-N 318.280 2.523 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@H](n2ccnc2)C1 69840867 HUHVWPNZSZYCOO-AWEZNQCLSA-N 306.369 2.909 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1)Nc1ccc(F)c(F)c1F 69351471 FDKYFGZMDCIFIG-GFCCVEGCSA-N 310.275 2.959 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2N)C1 13145395 PEJVJCWAZNEGNE-PHIMTYICSA-N 324.808 2.584 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1OC 69419918 STOMUFVRQRUYGO-CQSZACIVSA-N 316.357 2.559 0 40 DFAB Cn1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cc2ccccc21 69812303 QGICOUHREJZNSP-INIZCTEOSA-N 311.429 2.879 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccccc1OC 4218249 FZWVAHBTTMGQTE-BBRMVZONSA-N 305.374 2.860 0 40 DFAB CC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 4335401 QBWREYRALNZTHE-UHFFFAOYSA-N 312.211 2.515 0 40 DFAB Cc1cc(C)c(CNC(=O)c2c[nH]cc2-c2ccccc2)c(=O)[nH]1 65479911 YZDVNNCADINNDQ-UHFFFAOYSA-N 321.380 2.917 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(F)cc1F 6588890 KMJZLGGNRAYQCC-SNVBAGLBSA-N 312.341 2.532 0 40 DFAB CCc1nc2nc(C)c(Cc3ccc(Cl)cc3)c(O)n2n1 18223212 SROPYHVQCLADRX-UHFFFAOYSA-N 302.765 2.945 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)Cc1ccccc1F 6992908 KRCYTZPCNFAFLG-UHFFFAOYSA-N 300.377 2.746 0 40 DFAB Cc1cc(=O)oc2cc(NC(=S)NC[C@H]3CCCO3)ccc12 7561330 ZSKADGUUWYLFFT-GFCCVEGCSA-N 318.398 2.567 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2nc3ccccc3[nH]2)c1 7983858 HVUITVZXOZRFFQ-LBPRGKRZSA-N 322.368 2.628 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1OC 9338932 ISYUHRVTZIXOHL-UHFFFAOYSA-N 302.330 2.668 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(C)o1 75563505 QRIWAYRXMOFAAC-LBPRGKRZSA-N 319.386 2.596 0 40 DFAB CN1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 19889827 BBLLOTQWNQYWBN-UHFFFAOYSA-N 307.869 2.552 0 40 DFAB CC(C)CCc1noc(CN2CCC[C@H]2c2cnn(C)c2)n1 71799278 ZLNHZGXLBVTJQF-AWEZNQCLSA-N 303.410 2.729 0 40 DFAB COC(=O)c1sc2cccc(F)c2c1CNC(=O)C1CC1 71885811 NJTPGFLOQMXVGJ-UHFFFAOYSA-N 307.346 2.853 0 40 DFAB Cc1cc(NC(=O)c2c(C)nn(C)c2C)n(C2CCCC2)n1 28241758 HDRKJHDYNWCGFB-UHFFFAOYSA-N 301.394 2.909 0 40 DFAB C[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1ccco1 173668993 CKLJDGDVHKYYCD-OAHLLOKOSA-N 311.740 2.639 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H](CO)c2ccco2)CC1 97084545 BCNCQCRHCPSFNB-KGLIPLIRSA-N 324.421 2.692 0 40 DFAB CC1(CO)CCN(C(=O)NCC2(c3ccccc3F)CC2)CC1 97377491 NCEABVVONVEYRJ-UHFFFAOYSA-N 320.408 2.661 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1nccc2ccccc12 97379474 XHXMTXLIFMGHIQ-QGZVFWFLSA-N 321.380 2.787 0 40 DFAB COC(=O)c1occc1Cn1cnc2c(oc3ccccc32)c1=O 25040492 HERSMXNDDHLSFN-UHFFFAOYSA-N 324.292 2.571 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCS[C@@H]2COCC[C@H]21 95425921 PKAWFWXEEUARGN-PSASIEDQSA-N 303.836 2.748 0 40 DFAB CC(C)c1cccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)c1 95433237 INIRUNVHEIGGJE-INIZCTEOSA-N 323.414 2.589 0 40 DFAB CC(C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)=C1CCCC1 95439923 LETQKWKHEMAYEJ-OAHLLOKOSA-N 317.385 2.970 0 40 DFAB CCN(CC)[C@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95403871 OFWXOZQKLYKRQG-AWEZNQCLSA-N 319.453 2.722 0 40 DFAB COCCN1CC[C@H](CNCc2ccc(F)cc2Cl)C1 95425762 YOHTVFJNNKLZDS-GFCCVEGCSA-N 300.805 2.537 0 40 DFAB CS(=O)(=O)CCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 95415956 WRPDGIBPHFAQAK-DLBZAZTESA-N 307.459 2.822 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)ncn2C 95973466 JNUPESNSDVYZCL-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB O=C(NCc1ccsc1)NC[C@@H]1COC2(CCCCC2)O1 95986779 QVDYZBWJKJDLBC-CYBMUJFWSA-N 310.419 2.623 0 40 DFAB COC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 95970896 HOUYQZTZRVBMFS-KOLCDFICSA-N 313.756 2.941 0 40 DFAB CCc1nc(C[S@](=O)Cc2cn3ccccc3n2)cs1 89289964 TUHDYUYTZDTNTR-FQEVSTJZSA-N 305.428 2.802 0 40 DFAB Cc1ccc(Cl)c(OCC(=O)Nc2sccc2C(N)=O)c1 9953121 VZSHMDRNMCWVQR-UHFFFAOYSA-N 324.789 2.826 0 40 DFAB CC(C)[C@H](C)N(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 86372558 SSOAVTUIUQJWLP-NWDGAFQWSA-N 321.387 2.842 0 40 DFAB Cc1ccc(Cn2cc(NC(=O)C[C@@H](C)CC(=O)O)cn2)cc1 20367448 UZFIQLFKXQYMKB-CYBMUJFWSA-N 315.373 2.679 0 40 DFAB CCc1ccc(CCC(=O)Nc2cnn(CCN(C)C)c2)cc1 60241132 GICNPTLTQLXGGH-UHFFFAOYSA-N 314.433 2.578 0 40 DFAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1CC[C@H]2C[C@H]2C1 408501963 QFMTUKAWQPEGJM-YIZRAAEISA-N 319.835 2.643 0 40 DFAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(-c2ccccc2)n[nH]1 32610336 LUAWUDWRWUIPBJ-OLZOCXBDSA-N 311.341 2.682 0 40 DFAB OC1(c2ccc(C(F)(F)F)cc2)CCN(c2ncccn2)CC1 72351136 FIQZEGHDUNVTST-UHFFFAOYSA-N 323.318 2.983 0 40 DFAB CN(C)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 30132129 RXRIXUSQTGPWEW-UHFFFAOYSA-N 302.349 2.701 0 40 DFAB O=C(CCC(=O)c1ccccc1)Nc1ccc(-n2cccn2)nc1 32754763 BGNKNULELYCFKI-UHFFFAOYSA-N 320.352 2.869 0 40 DFAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 218577357 CMQWECWJHSUHFY-HRCADAONSA-N 321.829 2.855 0 40 DFAB CO[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-n2ccc(C)n2)C1 189726178 IEAVYSBDTDBPST-UONOGXRCSA-N 314.389 2.870 0 40 DFAB O=C(O)CCCCCNS(=O)(=O)c1cccc2ccccc12 34246018 IGMYJHJQIFNKHM-UHFFFAOYSA-N 321.398 2.763 0 40 DFAB COc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 77404848 GPGZBRCWMSXJSC-SFHVURJKSA-N 308.385 2.818 0 40 DFAB O=C(/C=C/c1ccccc1)NCC1CCN(c2cnccn2)CC1 70930278 NMZGXGKEWHHDFR-VOTSOKGWSA-N 322.412 2.523 0 40 DFAB O=C(c1cnc(O)c2ccccc12)N1CCO[C@H](C2CCC2)C1 565820411 AVDNEFHKHUWOFS-INIZCTEOSA-N 312.369 2.582 0 40 DFAB Cc1cc(C(=O)NCc2ccccc2)nc([C@@H]2CCCN(C)C2)n1 72369309 LDWCSHRTBSTORG-MRXNPFEDSA-N 324.428 2.524 0 40 DFAB CCC[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1 225562772 ACTHSSHHHHIZFE-KRWDZBQOSA-N 304.434 2.630 0 40 DFAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccccn2)n1 41184295 GXIBDOAXDPODOD-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(C(C)(C)C)no1)C2 225516084 KMDGFUNLPFMCRJ-SNVBAGLBSA-N 302.378 2.747 0 40 DFAB COc1ccc(OC)c(C[C@H](OCc2ccccc2)C(=O)O)c1 225116916 YRFVNLRSSNLHGT-KRWDZBQOSA-N 316.353 2.916 0 40 DFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NCC 224592246 LTDUMYPRCRPZSP-INIZCTEOSA-N 320.433 2.739 0 40 DFAB CN(CCC(=O)O)CC1(c2ccc(Br)cc2)CC1 237241925 VNWNQHVSXZIFAJ-UHFFFAOYSA-N 312.207 2.887 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](C)Sc1ccccc1 96431326 MNUUHCUQEAXFBM-KBPBESRZSA-N 318.446 2.752 0 40 DFAB CC(C)c1ccc(N(C)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1 96500535 NUDKUSQEBBVRSG-UHFFFAOYSA-N 324.384 2.662 0 40 DFAB O=C(CNC(=O)c1ccsc1)N[C@H]1C[C@@H]1C1CCCCC1 96440859 XMFNJAJAJFGZQY-KGLIPLIRSA-N 306.431 2.563 0 40 DFAB CC[C@H](NC(=O)COc1cc(C)on1)c1cc(F)ccc1F 96419021 XKGPKFGVZUONFO-ZDUSSCGKSA-N 310.300 2.908 0 40 DFAB CCc1nn(C)cc1NC(=O)N1CCC(CCCN(C)C)CC1 96499628 BHPLDIOKXJNONR-UHFFFAOYSA-N 321.469 2.568 0 40 DFAB CN(CC(F)F)C(=O)Nc1ccccc1O[C@H]1CCOC1 96471027 AGAJIBGNRAWKGK-JTQLQIEISA-N 300.305 2.583 0 40 DFAB COc1cccc(-c2noc(-c3cc4n(n3)CCCC4=O)n2)c1 98212407 HUIGQNOFUVVDLW-UHFFFAOYSA-N 310.313 2.585 0 40 DFAB COc1cc(OC)cc([C@H](O)CNc2ccc(Cl)cn2)c1 96429839 SBVSVYBADVOQRR-CQSZACIVSA-N 308.765 2.898 0 40 DFAB Cn1ccnc(Sc2nnc(NC3CCCCC3)s2)c1=O 96429120 JQBHBKRZQXFQEO-UHFFFAOYSA-N 323.447 2.528 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)s1 96502090 OKZUQKSNADAUFJ-ZDUSSCGKSA-N 324.446 2.741 0 40 DFAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3ccsc3)C2)n1 96057620 SQNBOXFPPIBERC-BFHYXJOUSA-N 305.403 2.587 0 40 DFAB Cc1nc(CN(CC(C)C)C[C@@H](O)c2ccc(F)cc2)no1 96424427 XXDJONWJFBSMJK-OAHLLOKOSA-N 307.369 2.709 0 40 DFAB C[C@@](O)(CNCc1cnc2ccccn12)c1ccccc1Cl 97378293 YISZNYSNAIDJGK-QGZVFWFLSA-N 315.804 2.985 0 40 DFAB Cc1cccc(OC2CCN([C@H](C)c3nnc(C)o3)CC2)n1 96501262 WRFLYAMHQYAPNK-GFCCVEGCSA-N 302.378 2.686 0 40 DFAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc(C)o2)C1 583617490 CQJSSIDHPCVPSB-KGLIPLIRSA-N 302.378 2.546 0 40 DFAB O=C(CC1(O)CCCCC1)N1CCC[C@@H](c2nccs2)C1 257282362 OTLVFQJZYIUGOQ-CYBMUJFWSA-N 308.447 2.934 0 40 DFAB Cc1ncsc1-c1ncccc1C(=O)NCc1cccnc1 257250044 JKSYINKITCZIKI-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@]2(C)c2nc(C)cc(C)n2)cn1 257273749 NIBBNLHMUCXOQV-SFHVURJKSA-N 310.401 2.948 0 40 DFAB Cc1cccnc1CN1CCC2(CC(Nc3ccncn3)C2)C1 257327153 XAEZZZZGXRIJIS-UHFFFAOYSA-N 309.417 2.647 0 40 DFAB c1cc(C[C@@H]2COCCN(Cc3c[nH]cn3)C2)c2ccoc2c1 257336998 YQYCRVLBUSPEQF-AWEZNQCLSA-N 311.385 2.847 0 40 DFAB CCn1c(CN(C2CC2)[C@H](C)C(=O)O)nc2cc(F)ccc21 263191142 VSGYEGVJLHRCON-SNVBAGLBSA-N 305.353 2.633 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCCN([C@H]2CCOC2)CC1 271458826 WPUWVOLSDHAEHU-HNNXBMFYSA-N 323.824 2.669 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575405694 UDMYIHJJJFHEHL-CQSZACIVSA-N 306.431 2.593 0 40 DFAB CN(C(=O)N[C@H]1CCCc2c1cnn2C)C(C1CC1)C1CC1 51278561 VJMCELOKKSBBGF-AWEZNQCLSA-N 302.422 2.628 0 40 DFAB CCO[C@@H](CC)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 57196150 ULNVKURQPOTJCJ-AWEZNQCLSA-N 305.378 2.724 0 40 DFAB CC(C)COC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 55910689 RZBLFPRIHOYEEK-KRWDZBQOSA-N 303.402 2.654 0 40 DFAB C[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 68476502 MXYRZEWGJXLLQF-WBMJQRKESA-N 320.408 2.645 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C3OCCO3)CC2)C1(C)C 69230245 KJXSBTRAAKVKRE-HUUCEWRRSA-N 307.434 2.836 0 40 DFAB CCC(=O)NCC(=O)NCc1ccc(OC2CCCCC2)cc1 69814544 NQIFAYXMCBMPKZ-UHFFFAOYSA-N 318.417 2.541 0 40 DFAB COC(=O)c1cccc(CNCc2ccccc2-n2ccnc2)c1 83897360 SYYOAPXJTHGDIV-UHFFFAOYSA-N 321.380 2.949 0 40 DFAB CCc1nn(CC(=O)C(C)(C)C)c(=O)c2cc3ccsc3n12 12114291 HTTGZRFNOFIJNO-UHFFFAOYSA-N 317.414 2.888 0 40 DFAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccccc1F 12156130 NYHQJEFTLFDFAR-MRXNPFEDSA-N 313.328 2.960 0 40 DFAB Cc1cc(-c2cnc(N3CCOCC3)nc2-c2ccoc2)on1 12252191 DVFYVUPIIGFTAF-UHFFFAOYSA-N 312.329 2.537 0 40 DFAB CCn1cc(CN(C)CC(=O)Nc2ccc(C)c(C)c2)cn1 14187585 BNMCYXCOEAJQNS-UHFFFAOYSA-N 300.406 2.590 0 40 DFAB c1ccc([C@@H]2CN(Cc3cnc4ccccc4n3)CCO2)nc1 607853621 RWVVPPDZONGPTQ-SFHVURJKSA-N 306.369 2.598 0 40 DFAB C[C@H]1CCCN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 1889108431 GXWZHLPOATXJFU-JTQLQIEISA-N 310.444 2.936 0 40 DFAB O=C(CNC(=O)c1ccccc1F)NCCC1=CCCCC1 22651409 AHOXNLXNIBRBPZ-UHFFFAOYSA-N 304.365 2.562 0 40 DFAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)s1 23609184 KEEOGCWWPGOUPF-UHFFFAOYSA-N 321.427 2.647 0 40 DFAB CN1CCN(c2ccccc2NC(=O)c2ccsc2)CC1 32492828 JZIIOHBQJXTGCZ-UHFFFAOYSA-N 301.415 2.752 0 40 DFAB OC1(COc2ccccc2)CCN(Cc2ccc(F)cn2)CC1 2037908994 LAUNRULYMQUMNC-UHFFFAOYSA-N 316.376 2.627 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)C3CCCCC3)CC2=O)cc1 4496959 VQDSHKWCXFMKDZ-OAHLLOKOSA-N 300.402 2.797 0 40 DFAB CCc1nc(=O)c2c(COC)cc(C)nc2n1Cc1ccccc1 4743233 ZZPKBFOKDSLVER-UHFFFAOYSA-N 323.396 2.857 0 40 DFAB O=S(=O)(Nc1cccc(F)c1)c1ccc2c(c1)OCCCO2 7402317 FLELWOQSOQZXOL-UHFFFAOYSA-N 323.345 2.788 0 40 DFAB O=C1NCCN1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 206875800 CWVPDSYANSTABQ-CYBMUJFWSA-N 305.353 2.540 0 40 DFAB Cc1nnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1 25255114 IVGKNCHLRXWSBY-CYBMUJFWSA-N 319.386 2.657 0 40 DFAB Cn1ccc2cc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc21 206913045 QRBDTFXGRGGVEE-QFBILLFUSA-N 312.413 2.946 0 40 DFAB biogenic CN1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 40159845 VQRZXQIJGMSYTD-UHFFFAOYSA-N 319.257 2.860 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 40107335 VBYVYTFWBSAWEY-GDBMZVCRSA-N 321.465 2.609 0 40 DFAB O=C(CCn1sc2ccccc2c1=O)Nc1nccs1 40285917 BDLLGKLVUZZRBZ-UHFFFAOYSA-N 305.384 2.548 0 40 DFAB CCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 20356288 XNNABTRMDHBRQZ-UHFFFAOYSA-N 308.425 2.983 0 40 DFAB COc1ccc([C@H]2OC(=O)c3c(OC)cc(OC)cc32)cc1 28818565 YNGUFTHOYVRQDO-MRXNPFEDSA-N 300.310 2.972 0 40 DFAB biogenic O=C1N(Cc2cc3ccccc3[nH]2)c2ccccc2C12OCCO2 518627 RCOUXSNIRNMQDB-UHFFFAOYSA-N 320.348 2.914 0 40 DFAB biogenic CC(=O)O[C@]1(C(Cl)(Cl)Cl)OC(=O)c2ccccc21 1581212 YEAGDJFGQISHLB-JTQLQIEISA-N 309.532 2.943 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2 29254459 LDFQRYGBTZEYCT-ZDUSSCGKSA-N 324.428 2.984 0 40 DFAB CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CC[C@@H](C)C2 3348745 GXTYIFXXSIFTDV-SNVBAGLBSA-N 324.446 2.550 0 40 DFAB CCN(Cc1ccccc1)Cc1nnnn1Cc1ccccc1 4230400 YAUQKKIMIVROIS-UHFFFAOYSA-N 307.401 2.744 0 40 DFAB COc1ccc(C(=O)CSc2nc3cccnc3n2C)cc1 4852838 XXKFTGPUZPLHCR-UHFFFAOYSA-N 313.382 2.952 0 40 DFAB O=C(C1CCC1)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100160271 MXDPEQMQDIZGSU-HZPDHXFCSA-N 303.377 2.967 0 40 DFAB COc1ccc(S[C@H](C)C(=O)NCCCn2ccnc2)cc1 54852323 FSWKGLBGRFKZGD-CYBMUJFWSA-N 319.430 2.579 0 40 DFAB Cc1ccccc1NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1 32873961 ZMWRFGRSQIXGFL-LBPRGKRZSA-N 318.402 2.695 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)CCS1 89802116 KSHWLVQEILWJMH-HNNXBMFYSA-N 316.426 2.742 0 40 DFAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@@H]2CCC[C@@H]21 53376218 SLEKGGORQLWWRC-QWHCGFSZSA-N 323.776 2.505 0 40 DFAB CCc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)sc1C 53945023 WCQFPISGWWBBAA-AWEZNQCLSA-N 302.399 2.575 0 40 DFAB CC(C)Oc1ncc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Cl 54056234 QZLJMJBAFVKGLD-QWRGUYRKSA-N 312.797 2.772 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)n1cnnn1 61718882 NABLEWMJQOWCSJ-GDBMZVCRSA-N 315.421 2.594 0 40 DFAB Cc1cccc(C)c1NC(=O)c1ccccc1NS(C)(=O)=O 107929752 CCACMAMLZILGRK-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc2c(c1)OCO2 104816727 KDSPIUWIWUNVTI-KKUMJFAQSA-N 301.386 2.900 0 40 DFAB CC(=O)N1CCN(Cc2nc(-c3ccccc3F)cs2)CC1 69775113 KDYWEEZFOMWMCL-UHFFFAOYSA-N 319.405 2.613 0 40 DFAB CC(C)N1C[C@@H](C(=O)N2CCCc3cc(F)cc(F)c32)CC1=O 55441109 GYOUTGDPYWXYCT-LBPRGKRZSA-N 322.355 2.501 0 40 DFAB Cc1cc(CN(C)C(=O)Cc2ccc(-n3cccc3)cc2)no1 25139130 QBHVWYFBFKWPAG-UHFFFAOYSA-N 309.369 2.975 0 40 DFAB C[C@H]1CN(c2ccccc2NC(=O)N2CCCC2)C[C@H](C)O1 47806701 UTOFDLKNQGRSAI-KBPBESRZSA-N 303.406 2.928 0 40 DFAB Cc1csc(N2CCCN(C(=O)c3ccoc3C)CC2)n1 55759422 LFUZCDPZERMVDB-UHFFFAOYSA-N 305.403 2.705 0 40 DFAB CCOC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2N1 100117456 ZBIPHTZCFRIKQW-MCTLKSGKSA-N 314.385 2.538 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1cccc(-c2nnco2)c1 24698504 IMQFGXQSPYJAGA-UHFFFAOYSA-N 312.329 2.913 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1F 3225084 FLQOTJGSXWFNCU-UHFFFAOYSA-N 323.707 2.980 0 40 DFAB Cc1ccc(CCCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 44405926 ISKIMJBTMUWPEX-SFHVURJKSA-N 310.397 2.661 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCc2ccc3c(c2)OCO3)c1 10030911 HWWSBCVCVGSTNG-UHFFFAOYSA-N 313.309 2.731 0 40 DFAB Cc1ccccc1-n1c(C)nnc1S[C@@H]1C[C@H](C)OC1=O 8428601 FOIZAZXEZSDNGO-GXFFZTMASA-N 303.387 2.680 0 40 DFAB CCO[C@@H](C)C(=O)/N=c1/sccn1Cc1ccc(C)cc1 58306893 AJCQBSYKSWGHTR-CMTMBAJVSA-N 304.415 2.759 0 40 DFAB CC(=O)c1cccc(NC(=O)NC[C@H](O)c2cccc(F)c2)c1 58331537 CGVUQCBUFYOPKI-INIZCTEOSA-N 316.332 2.883 0 40 DFAB CCn1c(=O)n(C[C@@H](O)c2ccc(F)cc2)c2ccccc21 58647919 SGXKQHLZIWNPPT-MRXNPFEDSA-N 300.333 2.696 0 40 DFAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 12735003 JGQKXRAXHHTRBH-AWEZNQCLSA-N 306.369 2.817 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)N2CCCCCCC2)cc1 3419989 HEECOOUFYBLKPS-HNNXBMFYSA-N 304.434 2.966 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12909440 SEVZDHPUBSWWRV-CQSZACIVSA-N 324.336 2.538 0 40 DFAB O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cc[nH]n2)C1 92073498 HREORVDEVBDSCF-ZIAGYGMSSA-N 311.307 2.736 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 69843031 LUUOMHGTPLIXLN-DVQDXYAYSA-N 314.429 2.711 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)c2[nH]ncc2c1 69947564 TTZDSNZMQUZMKJ-HNNXBMFYSA-N 323.400 2.763 0 40 DFAB Cc1cccc(NC(=O)NCCc2nnc3n2CCCCC3)c1 8709366 UEWAGOMUXYCIBL-UHFFFAOYSA-N 313.405 2.677 0 40 DFAB O=C(NCCc1cccs1)NC[C@H]1Cc2ccccc2O1 65401536 SZGZYKZKCZWWCV-CYBMUJFWSA-N 302.399 2.594 0 40 DFAB Cc1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046612 AEDFCSHEIIDYLR-UHFFFAOYSA-N 314.385 2.643 0 40 DFAB O=C(Nc1ccc(Br)c(F)c1)N1CCC[C@H]1CO 96435430 VARVTSONWKVIBJ-VIFPVBQESA-N 317.158 2.577 0 40 DFAB COc1ccc2cc(C(=O)N3CCSCC3)c(C)nc2c1 71813653 ZDKRZTIZWUAIGR-UHFFFAOYSA-N 302.399 2.741 0 40 DFAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1nccs1)C1CC1 89801975 MGFMBUFPNATOFM-MCIONIFRSA-N 323.462 2.955 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 83990508 VYCDRSMJVHPBIA-ZIAGYGMSSA-N 308.451 2.514 0 40 DFAB O=C(CC[C@H]1CCCO1)N1CCC[C@@H]1c1noc(C2CC2)n1 84136635 KSRTVXRSPCUJAI-CHWSQXEVSA-N 305.378 2.570 0 40 DFAB C[C@@H](Nc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1 72276000 ADFUZOJSNXAERI-VXGBXAGGSA-N 304.419 2.672 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)[C@H]1CCCO1 97048613 RBRZTAMCSQZFLY-GFCCVEGCSA-N 313.195 2.998 0 40 DFAB C[C@@H](Oc1ccc(OCc2ccc(Cl)cn2)cc1)C(N)=O 97049965 NMXQOGWNICYZRV-SNVBAGLBSA-N 306.749 2.567 0 40 DFAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1 89950261 RIEUIOPAJMOFCJ-ZDUSSCGKSA-N 310.394 2.979 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c(=O)[nH]1 72301263 UQYIKINPHOSTSC-ZIAGYGMSSA-N 314.360 2.551 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)c2ccc(F)cc2n1 76050956 CEZCBQUYJGMQHW-PIGZYNQJSA-N 315.392 2.704 0 40 DFAB CN(C)CCOc1ccc(C(=O)Nc2cccc3[nH]ccc23)cn1 76019019 AINXMSCHZQPBCJ-UHFFFAOYSA-N 324.384 2.756 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNC1CCSCC1 76042814 VTUYNPZMVLYRCO-BBRMVZONSA-N 309.479 2.600 0 40 DFAB C[C@@H](Cc1cccs1)C(=O)NCCC(=O)N1CCCCCC1 95401291 JDBNDOAOBUVACL-AWEZNQCLSA-N 322.474 2.836 0 40 DFAB Cc1cc(OCC(=O)N[C@@H](CO)c2ccccc2)ccc1Cl 95418195 MFXMGROJFPUOES-INIZCTEOSA-N 319.788 2.877 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCc2c(O)cccc21 78646369 FRYUQMTUTULTOS-LKFCYVNXSA-N 300.358 2.904 0 40 DFAB CC(C)CSCC(=O)N[C@@H](CC(=O)O)c1cccs1 95949265 ANFYSQHVSZJQHN-JTQLQIEISA-N 301.433 2.769 0 40 DFAB C[C@@](NC(=O)c1ccc(Cn2cccc2)cc1)(C(=O)O)C1CC1 95989594 MJLAQIQQRWIARD-SFHVURJKSA-N 312.369 2.520 0 40 DFAB COC(=O)Nc1ccc(-n2nc(C)c3ccccc3c2=O)cc1 20343715 ZTVIGAZVJZNAKT-UHFFFAOYSA-N 309.325 2.872 0 40 DFAB COc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(N)c1 22051741 WRSVBUYOKQEOQW-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cn1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 60644368 UBHBHUAQMPISQC-IHHMQQGQSA-N 318.380 2.734 0 40 DFAB COc1ccccc1Nc1nc2ncc3c(c2c(=O)[nH]1)CCCC3 30907118 VPFUOYNAJHIXTI-UHFFFAOYSA-N 322.368 2.949 0 40 DFAB CCCN1CCN(C(=O)c2cc(C)no2)c2cc(F)ccc21 189966204 OMBPXFBRCVZOIO-UHFFFAOYSA-N 303.337 2.999 0 40 DFAB COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1 39130309 RUQNPSAKYZSANJ-UHFFFAOYSA-N 308.378 2.937 0 40 DFAB CN1CCCC[C@H]1c1cncc(NCCC2(O)CCCC2)n1 72366207 KJDUCFPLGDULSK-HNNXBMFYSA-N 304.438 2.741 0 40 DFAB O=C(C[C@H]1C=CCC1)NCc1nc(-c2ccc(F)cc2)n[nH]1 78555157 RJHODYRRNRCXSO-NSHDSACASA-N 300.337 2.583 0 40 DFAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccccc2F)c1C 44902082 YQIGRMJVCPVOBR-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](N)c2ccccc2)CCO1 195544221 OHHMJDCKBIBCHD-MOPGFXCFSA-N 324.424 2.985 0 40 DFAB COc1ncccc1NC(=O)[C@H](CCSC)n1cccc1 575443443 HNRJTCNVIJLYFP-ZDUSSCGKSA-N 305.403 2.825 0 40 DFAB CSC1(CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 195001459 NELDUIXBSXCQJC-VIFPVBQESA-N 312.439 2.623 0 40 DFAB COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2C2CCCC2)cc1 49466668 RXIXADNAMGNHKI-GDBMZVCRSA-N 303.358 2.612 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cn1 191207788 VAEOJFLLRIYBSZ-NSHDSACASA-N 305.328 2.718 0 40 DFAB O=C1[C@@H](O)c2ccccc2N1CCOc1ccc(Cl)cc1 44928731 ILYQDOSKJNJIMZ-HNNXBMFYSA-N 303.745 2.799 0 40 DFAB C[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H](C)O1 20444470 UFUVLJSJHCTZBU-CHWSQXEVSA-N 313.397 2.891 0 40 DFAB biogenic CS(=O)(=O)Nc1ccccc1C(=O)NC1CCCCCCC1 48090388 ISXCMDZPWJWFAB-UHFFFAOYSA-N 324.446 2.901 0 40 DFAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@@H]1C2)C(=O)c1nccn2ccnc12 195532337 VNULNQAIGJFCEF-ZNMIVQPWSA-N 310.401 2.792 0 40 DFAB CN(C(=O)NCCc1ccc(CO)cc1)c1ccc(F)cc1 195576908 SQEWPXXFPYPUGJ-UHFFFAOYSA-N 302.349 2.707 0 40 DFAB CC[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 40074123 RTKKQIIKJXWAJV-XJKSGUPXSA-N 324.852 2.876 0 40 DFAB CCC[C@@]1(COC)CCCN1C(=O)NCc1c(C)nn(C)c1C 193966087 CXDKTFZHXYTKOW-KRWDZBQOSA-N 322.453 2.528 0 40 DFAB OC1CCN(Cc2ccccc2CNc2ncccc2F)CC1 96483042 FIBPWAICACZGQT-UHFFFAOYSA-N 315.392 2.790 0 40 DFAB CN(c1nc(-c2ccccc2)ns1)C1CCS(=O)CC1 97096839 XFFMAZSHEWVHKS-UHFFFAOYSA-N 307.444 2.552 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)c2cccnc2C)o1 96412279 WKFSAIBQEXGAFS-OAHLLOKOSA-N 300.358 2.759 0 40 DFAB CCOC(=O)c1ccc(NC(=O)NCCC(F)(F)F)cc1 96434009 NPDJKLUTHKEFRD-UHFFFAOYSA-N 304.268 2.937 0 40 DFAB COC(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1 96942553 FRJSFWRZJZRLJF-UHFFFAOYSA-N 305.374 2.643 0 40 DFAB CCS[C@H]1CCC[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 96451513 YDANWLHWVWJVKS-RYUDHWBXSA-N 311.451 2.531 0 40 DFAB C[C@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccco1 96502054 IAVUJOZUOWVEFQ-STQMWFEESA-N 308.378 2.525 0 40 DFAB c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)ccn1 96059024 LTVRXOVRFPHJDX-UHFFFAOYSA-N 312.417 2.611 0 40 DFAB Cc1nccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 266164940 OVBCYYVITHXSBZ-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB CCc1cc(=O)c2cc(NC(=O)C[C@@H]3CCCCO3)ccc2[nH]1 96500672 GEVDJFFCFGPPCM-AWEZNQCLSA-N 314.385 2.988 0 40 DFAB C[C@H]1OCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 90723608 AGLIWORZXFKCGN-RDTXWAMCSA-N 305.418 2.649 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)CCCN2C 96434327 VVSYWFYZAKSCOQ-HNNXBMFYSA-N 303.406 2.712 0 40 DFAB CC(C)OCc1ncn2c1CN(Cc1ccncc1)CCC2 96059051 KWAGPKVEWVOZIY-UHFFFAOYSA-N 300.406 2.609 0 40 DFAB Cc1ccc(CNC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)o1 96193027 XHKWULXNBXMXKK-QGZVFWFLSA-N 316.332 2.927 0 40 DFAB C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)c2ccccc2NC1=O 96418387 CIQQKUDRMDZDCD-STQMWFEESA-N 302.374 2.567 0 40 DFAB CCOc1ccc([C@H](COC)NC(=O)N2CC=CCC2)cc1 241371413 MNJMPCUGQVHQON-INIZCTEOSA-N 304.390 2.744 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)n1 257211989 CBLBNBVXMGQYKJ-MRXNPFEDSA-N 324.428 2.948 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCC(C(=O)O)CC2)c1 630134450 BDKNJMKSPCEOFN-DISOXQEGSA-N 301.386 2.858 0 40 DFAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccncc3)cc2)C1 96122414 ISEGLQKXQCUJCL-QGZVFWFLSA-N 311.385 2.949 0 40 DFAB CCc1cc(CO)c2c(I)cccc2n1 685937602 SWFZHRJDZZRGMT-UHFFFAOYSA-N 313.138 2.894 0 40 DFAB O=C(NCCCN1CCCCCC1=O)c1cc2ccccc2o1 48331554 BMZGAWQWEZSCOR-UHFFFAOYSA-N 314.385 2.955 0 40 DFAB CS(=O)(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 52782460 IWOYMZQJEZLMBJ-RGZNSWCXSA-N 313.422 2.833 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)NCCc2nccn2C(F)F)C1 69580543 WVRNOTQQOLFQSN-QWRGUYRKSA-N 300.353 2.508 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(CC(F)F)C2CC2)C1 78550603 HIABZRJDFVHABQ-NSHDSACASA-N 316.392 2.527 0 40 DFAB CCOC(=O)[C@H](O[P@](C)(=O)OCC(C)C)C(F)(F)F 3157194 BREMCRZJQVWKEK-WPCRTTGESA-N 306.217 2.993 0 40 DFAB C[C@H]1C[C@H]2OC(=O)C[C@H]2[C@H](O)[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706443 SPLOODGEQMWFMA-LIWCTPPVSA-N 310.434 2.919 0 40 DFAB Cc1ccc2c(c1)cc(C)c1nn(Cc3ccncc3)c(=O)n12 12117718 OWSYBISUNCDJQX-UHFFFAOYSA-N 304.353 2.709 0 40 DFAB C[C@@]1(C(=O)NCCCc2ccccn2)CC(c2ccccc2)=NO1 12148580 UFGFGJKOKUJQOB-IBGZPJMESA-N 323.396 2.714 0 40 DFAB Cc1ccc(OCC(=O)NCCN(C)c2ccccc2)cc1C 12611709 PZXPTDCUOCOORV-UHFFFAOYSA-N 312.413 2.935 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)Cc2cccs2)cc1 13715369 QXBPCGBKIYFTSL-UHFFFAOYSA-N 302.399 2.560 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C3=NCCO3)cc2)cc1 16310563 JCAIOZZYCGBAIJ-UHFFFAOYSA-N 316.382 2.573 0 40 DFAB Cc1ccc(C2(CN3CCN(Cc4cncn4C)CC3)CC2)cc1 19208441 NQXFQMRQTDKLDG-UHFFFAOYSA-N 324.472 2.578 0 40 DFAB COc1ccc(-n2nnnc2/C=C/N(C)c2ccccc2)cc1 4347735 IWRFLFKBWTUCCW-OUKQBFOZSA-N 307.357 2.778 0 40 DFAB CN1CCOc2ccccc2CCCC[C@@]2(CCCNC2)C1=O 643561465 NDASERBJTWDIBV-IBGZPJMESA-N 316.445 2.620 0 40 DFAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C1CCCC1 13714175 AEOWZKKTWJBLLX-UHFFFAOYSA-N 300.402 2.980 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1OCC 8054527 LJFFMWDHKKQERM-NSHDSACASA-N 301.408 2.561 0 40 DFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccncc1 14125573 WICZQOAFNPXRHL-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCC3CCC3)CC2=O)c1C 26142425 BUXCVFQNWAYXLY-HNNXBMFYSA-N 300.402 2.573 0 40 DFAB O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2)nc1 30299791 AWPAUBYRTZJWJT-UHFFFAOYSA-N 313.376 2.680 0 40 DFAB Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)sc1C 31133602 UAAUMAIDAMUYPV-UHFFFAOYSA-N 324.427 2.989 0 40 DFAB CCn1nccc1C(=O)N(C)Cc1ccc(Br)o1 72259990 LCKANFMHZBXMMM-UHFFFAOYSA-N 312.167 2.531 0 40 DFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 2087130852 JYMGDLFXDVYUTD-GFCCVEGCSA-N 322.478 2.889 0 40 DFAB Cc1cn2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)cnc2s1 4505707 MHADLBAZQRQWIL-NSHDSACASA-N 313.382 2.555 0 40 DFAB O=C1O[C@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@H]2Sc1ccc(Cl)cc1 12374651 YEQLLKPKQRZMFA-JQPUBBMISA-N 324.785 2.693 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1nnc(-c2ccsc2)o1 49448749 JXRHATWMNSTZNW-UHFFFAOYSA-N 318.358 2.974 0 40 DFAB Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)O)CCN(C)C2 20131628 XPZIZBZKBPFDHH-UHFFFAOYSA-N 318.398 2.654 0 40 DFAB O=C(O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@H]2C1)Cc1ccccc1 71757964 WPGGHFDDFPHPOB-ULQDDVLXSA-N 315.413 2.969 0 40 DFAB world CC(C)N1C[C@@H](C(=O)Nc2nc(C(C)(C)C)cs2)CC1=O 40073596 KYUHLHUSPCCULJ-JTQLQIEISA-N 309.435 2.636 0 40 DFAB Cc1ccccc1NC(=O)c1c(O)n(C)c2ccccc2c1=O 45276 KTHIJLBNRZYZPC-UHFFFAOYSA-N 308.337 2.805 0 40 DFAB O[C@@H](COCc1ccccc1)CN1CCC[C@H](C(F)(F)F)C1 40459041 LYHWADLVONSVFH-LSDHHAIUSA-N 317.351 2.838 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 224548 CDJOXQVWEICTAD-UHFFFAOYSA-N 302.324 2.927 0 40 DFAB Cn1nc(C(C)(C)C)/c(=N/C(=S)NCc2ccccc2)s1 3844428 BXVLNPMYNGLTPO-LGMDPLHJSA-N 320.487 2.755 0 40 DFAB COc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 32398780 FNMZYHVUQLUYCV-UHFFFAOYSA-N 324.424 2.873 0 40 DFAB CN(C)CC(C)(C)CNc1c(C=O)c(O)nc2ccccc12 6681841 ZQCDGIJSXZZMQZ-UHFFFAOYSA-N 301.390 2.753 0 40 DFAB CC(C)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 45837562 NYNOTFMNXXIFOS-UHFFFAOYSA-N 308.376 2.957 0 40 DFAB O=C(CN1CCSc2ccccc21)NCc1cccs1 21093560 HKYBJZYDMLEMKJ-UHFFFAOYSA-N 304.440 2.977 0 40 DFAB Nc1nccnc1C(=O)Nc1cccc(C2SCCS2)c1 11678277 GLBQKTDMBDOROS-UHFFFAOYSA-N 318.427 2.790 0 40 DFAB O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N1 7927712 GPCMDFDUFDICGA-UHFFFAOYSA-N 322.773 2.635 0 40 DFAB Cc1cccc(C2(CNC(=O)[C@H]3COCCO3)CCCCC2)c1 46235433 VNGJVDMNEVQPGR-QGZVFWFLSA-N 317.429 2.729 0 40 DFAB CCCN1CCCN(C(=O)c2ccc(OCC)c(OC)c2)CC1 69665458 GQGUVPHBCRVQFE-UHFFFAOYSA-N 320.433 2.652 0 40 DFAB Cc1c(CCC(C)C)c(=O)oc2cc(OCC(N)=O)ccc12 485546 MXDVUALMXLPKCM-UHFFFAOYSA-N 303.358 2.554 0 40 DFAB biogenic CC(=O)NCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 2651213 PUMPQBQZNCWDIW-UHFFFAOYSA-N 323.805 2.928 0 40 DFAB Cc1ccnc(N2CCN(Cc3c(C)nsc3C)CC2)c1 517038307 VQQXRQJVFARTCC-UHFFFAOYSA-N 302.447 2.786 0 40 DFAB Cc1ccc(OCCSc2nc3c(c(=O)[nH]2)CCC3)cc1 11905477 HAGOTKVKOHPIMM-UHFFFAOYSA-N 302.399 2.738 0 40 DFAB Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2N)c1 531851 ZPGHVYWBJVZBQD-UHFFFAOYSA-N 311.414 2.963 0 40 DFAB Cn1ncc2c(N[C@H](c3ccccc3)c3ccccn3)ncnc21 22000466 IYJSEFBLZSNCMX-MRXNPFEDSA-N 316.368 2.960 0 40 DFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)C[C@H]1C(=O)Nc2ccccc21 104155414 FJWZSZSPICWEDJ-GASCZTMLSA-N 320.348 2.808 0 40 DFAB O=C(NCCn1cccc1)c1c[nH]nc1-c1c(F)cccc1F 89878814 HPGDRELTHLRLES-UHFFFAOYSA-N 316.311 2.586 0 40 DFAB CSCc1noc(CCC(=O)NC2[C@@H](C)CCC[C@@H]2C)n1 178499341 ZMDNYUWGBKQLFR-QWRGUYRKSA-N 311.451 2.806 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cn1 23492191 XBRASRUMEUBGBE-UHFFFAOYSA-N 324.428 2.703 0 40 DFAB COC[C@H](C)NC(=O)CSc1ccc(Br)cc1 23539240 RMFLLMUGXIGLBO-VIFPVBQESA-N 318.236 2.692 0 40 DFAB CCn1ccc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)n1 28239036 WFXSZDNPNUEELO-UHFFFAOYSA-N 309.373 2.709 0 40 DFAB Cc1ccc([C@@H](NC(=O)CCCNC(=O)C2CC2)C2CC2)cc1 25125129 CTHJRJSXCJOQCN-GOSISDBHSA-N 314.429 2.869 0 40 DFAB O=C(c1nn(-c2ccccc2F)cc1O)N1CCCCCC1 89821306 AZJOJCVJKAIRDV-UHFFFAOYSA-N 303.337 2.733 0 40 DFAB Cc1nc2cc(F)cc(C(=O)NCC[C@@H]3CCCO3)c2nc1C 44974110 FVMLUPBQNDXNBM-ZDUSSCGKSA-N 317.364 2.685 0 40 DFAB COC(=O)CCN(Cc1nnc(C(C)(C)C)o1)C1CCCC1 58439132 PAUAFWMWTYVNBV-UHFFFAOYSA-N 309.410 2.675 0 40 DFAB COc1ccc2oc(=O)c(N3C(=O)c4ccccc4C3=O)cc2c1 3293900 WCOCKFCVFGOXRM-UHFFFAOYSA-N 321.288 2.602 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1)c1cccc(-n2cccc2)c1 36360472 UUHGZTJKUSIPJJ-GOSISDBHSA-N 306.365 2.941 0 40 DFAB CC(C)OC(=O)CCNC(=O)N(C)[C@H]1CCc2ccccc21 45215425 QSHSRBHNDHWDJU-HNNXBMFYSA-N 304.390 2.657 0 40 DFAB CCC[C@@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O 2367391 VDCAVQHFHCNMJY-NSHDSACASA-N 307.346 2.693 0 40 DFAB O=C(OC[C@@H]1CCCO1)C(O)(c1ccccc1)c1ccccc1 58857984 PFVIDRDAINJFOA-KRWDZBQOSA-N 312.365 2.645 0 40 DFAB O=C(N[C@H]1COc2ccccc21)[C@H]1CCCN1Cc1ccccc1 58970995 URSNQHPRVPGLDS-ZWKOTPCHSA-N 322.408 2.901 0 40 DFAB NC(=O)[C@@H](CNc1ncnc2ccccc12)Cc1ccc(F)cc1 69738671 CXQCAGPXKAQJPL-CYBMUJFWSA-N 324.359 2.525 0 40 DFAB Cc1ccccc1-c1noc(Cn2nnc(-c3ccccc3)n2)n1 12861812 VGAXEWDDMDAAQM-UHFFFAOYSA-N 318.340 2.747 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3o1)C2 70008782 UBICKZWFLGGBDC-UHFFFAOYSA-N 322.368 2.853 0 40 DFAB COc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 12937473 GZEYXILJFLMTLC-UHFFFAOYSA-N 307.371 2.642 0 40 DFAB CC(C)Oc1cccc(CNCC2CCN(C[C@H](C)O)CC2)c1 69349895 KODSCPYVKQTLBR-INIZCTEOSA-N 320.477 2.656 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 8378076 AHRHHCCGVVAWRS-UHFFFAOYSA-N 315.394 2.831 0 40 DFAB Cc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cn1 69433183 UWQDLXXQQKYDGI-MRXNPFEDSA-N 313.401 2.858 0 40 DFAB COC(=O)c1cc(C(C)C)ccc1NC(=O)[C@H](C)n1ccnc1 69583597 LAOSKGUSFWVNRF-LBPRGKRZSA-N 315.373 2.993 0 40 DFAB O=C(Nc1ccccc1O)c1ccc(N2CCOCC2)c(F)c1 69843965 KCPPNBSJIWQNGF-UHFFFAOYSA-N 316.332 2.620 0 40 DFAB Cc1cccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)c1 6590074 FRWAHUKBZHKROL-UHFFFAOYSA-N 316.788 2.695 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(-n3cnnn3)c2)c1 14573559 PENODYKKXSJWNV-CQSZACIVSA-N 321.384 2.770 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1C 4976886 ZNUWGMLYDGTLCP-CQSZACIVSA-N 300.402 2.715 0 40 DFAB O=C(NC1CCCC1)c1[nH]nnc1Nc1cccc(Cl)c1 67284011 UUYYOBSWYLPAMP-UHFFFAOYSA-N 305.769 2.874 0 40 DFAB C[C@H](NC(=O)COC(=O)c1cc(F)cc(F)c1)c1ccccc1 7032430 XNIHMCCWQJGWST-NSHDSACASA-N 319.307 2.999 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 8755816 GCSYRFSGBIUZCZ-LBPRGKRZSA-N 307.733 2.967 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OCC2CC2)c(F)c1 89904699 YLPRDYSBMVWFTM-BZNIZROVSA-N 307.365 2.971 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 93809025 KWUZEHAKGSUXBA-SNVBAGLBSA-N 318.314 2.932 0 40 DFAB CC(C)C[C@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 9503118 NDPUHTDCEQCBRJ-CQSZACIVSA-N 313.357 2.808 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 72235608 HSNDEDOQOFJMAZ-GFCCVEGCSA-N 320.343 2.650 0 40 DFAB CCOc1cc(C)ccc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 72296082 NZLZWCWZUPQLFL-KGLIPLIRSA-N 305.422 2.998 0 40 DFAB COC(=O)CCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 97060206 LBOSPUVXOSFRFH-LBPRGKRZSA-N 310.419 2.501 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccccc1Cl 97143962 RYSNMDLWOVQGHJ-HNNXBMFYSA-N 304.777 2.892 0 40 DFAB Cc1cc2occ(CC(=O)N[C@@H]3CCc4nccn4C3)c2cc1C 97197814 WHWJPKCNLCTDRT-OAHLLOKOSA-N 323.396 2.920 0 40 DFAB Cc1nc(-c2cccc(OCc3nnc(C4CC4)n3C)c2)no1 97114836 SLLXYIIGKVCGNH-UHFFFAOYSA-N 311.345 2.630 0 40 DFAB CC(C)CN1CC[C@H](C(=O)NCCc2cc(F)cc(F)c2)C1 84544243 XTMTYGGGSKCIRB-AWEZNQCLSA-N 310.388 2.601 0 40 DFAB CC(=O)O[C@@H]1CCCN(C(=O)c2sccc2OC(F)F)C1 95435092 AGFINOYPOUPIAP-SECBINFHSA-N 319.329 2.517 0 40 DFAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(Cl)s1 60827682 AONIKTRTJXPGJP-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB CNC(=O)c1ccc(N2CCC(=Cc3ccccc3)CC2)nn1 95408675 DQQMCLILHUWBCV-UHFFFAOYSA-N 308.385 2.520 0 40 DFAB COc1cccc(Cl)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95447873 RWSXDHHXXKYYII-XJKSGUPXSA-N 317.772 2.737 0 40 DFAB COc1ccccc1-c1cnc(Cn2c(=O)oc3cccnc32)o1 95410506 KFRRKZAVGLFRIT-UHFFFAOYSA-N 323.308 2.701 0 40 DFAB CCN(Cc1ccccn1)[C@H](C)c1nnnn1-c1ccccc1 95978769 BBWMGDLAUJGQRS-CQSZACIVSA-N 308.389 2.640 0 40 DFAB O=C(O)c1cccc(CNC(=O)C2(c3ccccc3F)CC2)c1 95970429 VUHFBKZDAPBSCH-UHFFFAOYSA-N 313.328 2.872 0 40 DFAB CC(C)N1CC[C@@H](c2nnn3cc(-c4cccnc4)ccc23)C1 306125467 CSBJUPGDCYNKMZ-MRXNPFEDSA-N 307.401 2.989 0 40 DFAB COC(=O)[C@@](C)(NC(=O)c1ccoc1C)c1cc(F)ccc1F 60379683 MLIHZNPKZMQJEZ-INIZCTEOSA-N 323.295 2.684 0 40 DFAB CCOC(=O)N1CCN(C(=O)c2cc(C)c(C)cc2C)CC1 74951619 HSUUKRUYIWSIQF-UHFFFAOYSA-N 304.390 2.526 0 40 DFAB CN1CCC[C@@H](c2cccc(C(=O)N3CCCCCC3)n2)C1 72359256 DZVLXBIBCCEUKJ-OAHLLOKOSA-N 301.434 2.907 0 40 DFAB CC[C@H](C)c1ccc(O)c(NC(=O)c2nccnc2C(=O)O)c1 72400958 YJDHWMOTHLSBQN-VIFPVBQESA-N 315.329 2.646 0 40 DFAB CCOC(=O)COc1c(Cl)cc(CO)cc1Br 34772902 DPKJMXBXDXLPDD-UHFFFAOYSA-N 323.570 2.537 0 40 DFAB CN1CC[C@@H](NC(=O)Nc2ccncc2F)[C@@H]1c1ccccc1 189755916 NFSDRVWGZOTNDH-CVEARBPZSA-N 314.364 2.788 0 40 DFAB C[C@H](CN(C)C(=O)CCc1ccc2ccccc2c1)c1nnn[nH]1 124662581 OKHKFHVGBVSNHY-CYBMUJFWSA-N 323.400 2.548 0 40 DFAB Cn1nc(C(=O)NCc2cc(F)cc(F)c2)c2ccccc21 72331717 RCQDCKXSWBGVDE-UHFFFAOYSA-N 301.296 2.782 0 40 DFAB CC(C)CNc1ncnc2c1nnn2Cc1ccccc1Cl 35314890 FPPTWMBORBSSAB-UHFFFAOYSA-N 316.796 2.991 0 40 DFAB CN(C)c1ccc(Cc2c(N)nc(-c3ccccc3)nc2N)cc1 38701970 JFMXUMHTPOVCAX-UHFFFAOYSA-N 319.412 2.965 0 40 DFAB Cn1cc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c(C2CC2)n1 563197084 ZXMGTZBNIHLERS-MRXNPFEDSA-N 310.401 2.916 0 40 DFAB c1cc(CN2CCN(Cc3ccno3)C3(CCCCC3)C2)on1 81526869 YEOGFFMELYNZBE-UHFFFAOYSA-N 316.405 2.683 0 40 DFAB Cc1cnc(NC(=O)C[C@H]2CC(=O)Oc3ccccc32)s1 80332748 CPBSPGVTTIZVPZ-JTQLQIEISA-N 302.355 2.873 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCN(c2cccc(C=O)c2)C1 228910572 ZIJJCLFPCKZWHE-CQSZACIVSA-N 304.390 2.850 0 40 DFAB CN(C(=O)c1nccnc1N)C1c2ccccc2-c2ccccc21 81455987 QBQQYGUZYGHERS-UHFFFAOYSA-N 316.364 2.901 0 40 DFAB C[C@H]1CN(C(=O)CCn2ncc3ccc(Cl)cc32)C[C@@H](C)O1 96181991 ASJPAEJPORBLGS-TXEJJXNPSA-N 321.808 2.716 0 40 DFAB Cc1c(C(=O)O[C@@H](C)c2nccs2)cnn1-c1ccccn1 96485444 BFXGAAJFIXEWEA-NSHDSACASA-N 314.370 2.950 0 40 DFAB CN(CC1(c2ccc(Br)cc2)CC1)[C@H]1CCOC1=O 96421179 OLWCVTQWVNUDEU-ZDUSSCGKSA-N 324.218 2.728 0 40 DFAB CC(=O)Nc1ccc(NCc2cn3cccnc3n2)c(Cl)c1 95417980 CUFHJQQLGOTSCS-UHFFFAOYSA-N 315.764 2.953 0 40 DFAB Cc1ccc(NCCNC(=O)[C@@H](C)c2cc3ccccc3o2)nn1 96451242 QTTPICYFIGJYSO-ZDUSSCGKSA-N 324.384 2.863 0 40 DFAB CC(=O)NCC(=O)Nc1ccccc1Nc1ccc(F)cc1F 96499613 APJZGJNOKDQSQD-UHFFFAOYSA-N 319.311 2.783 0 40 DFAB C[C@@H](CCNCc1cc(F)ccc1Br)[S@@](C)=O 90189420 KOOUQGKYZULLTJ-XYZCENFISA-N 322.243 2.835 0 40 DFAB O=C(O)[C@H]1CC12CCN(C(=O)c1cnc3ccsc3c1)CC2 579909838 YQJJJEYDLFBJOQ-LLVKDONJSA-N 316.382 2.623 0 40 DFAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1c(F)cccc1Cl 96123065 UVXFNVFRKOEAEW-JTQLQIEISA-N 309.728 2.889 0 40 DFAB CC(C)N(CCc1nccs1)C(=O)[C@@H](N)c1ccccc1 97234167 AOBZPCOKLRKHTR-HNNXBMFYSA-N 303.431 2.623 0 40 DFAB CCOC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ncn(CC)c21 96059359 URMVNKNWODVJIR-CYBMUJFWSA-N 319.430 2.627 0 40 DFAB CS[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 252500251 SQCYHTPLJDJJRO-MFKMUULPSA-N 300.855 2.810 0 40 DFAB CCc1ccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)cc1 256046570 GTXJDPQGFGSMAB-UHFFFAOYSA-N 300.362 2.518 0 40 DFAB CCn1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)cn1 257303422 SHFARCQOJXCDDG-UHFFFAOYSA-N 318.446 2.862 0 40 DFAB COC(=O)C1CCC(NC[C@H](O)c2ccccc2Cl)CC1 252488356 IQAKKYFWSVNEDJ-QOZQQMKHSA-N 311.809 2.695 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257244285 IKRILFGJKIXYRR-MRXNPFEDSA-N 321.384 2.718 0 40 DFAB C[C@H](Cc1ccoc1)NS(=O)(=O)c1cccc2cccnc12 84953077 UJERNPZUCGCNQV-GFCCVEGCSA-N 316.382 2.737 0 40 DFAB C[C@@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1 69810544 AVROSIGQMZIIIQ-VXGBXAGGSA-N 303.797 2.924 0 40 DFAB CCOCC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165823 ZONBYUATJVPRBS-CABCVRRESA-N 320.389 2.699 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)N[C@@H](C)COCC(C)C)o1 95398077 UWFSQMRFUAWUEI-DZGCQCFKSA-N 324.421 2.732 0 40 DFAB CCOC(=O)CN(CC)C(=O)NC12CC3CC(CC(C3)C1)C2 5181136 AHFGQKXJNIGZBT-UHFFFAOYSA-N 308.422 2.550 0 40 DFAB Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C)CC2)cs1 19747018 RURMISUXBNJCKJ-MRXNPFEDSA-N 321.490 2.717 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1 7305320 ZYASGIBFYIACHY-QMMMGPOBSA-N 314.794 2.984 0 40 DFAB Cc1nc(N(C)Cc2ccc3c(c2)OCCO3)c2ccncc2n1 1888906620 KMXNWTOBTQIUOC-UHFFFAOYSA-N 322.368 2.741 0 40 DFAB Cc1ccccc1CN1CCC[C@H](C(=O)N2CCSCC2)C1 1889138982 ISXOCVPVPRPJPQ-KRWDZBQOSA-N 318.486 2.782 0 40 DFAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 28295938 BYGJCAXZKIDGKH-RISCZKNCSA-N 321.398 2.650 0 40 DFAB CC(C)c1noc(CN2CCC[C@@H](COc3ccncc3)C2)n1 1776001385 QALNWWOVPPQLOF-CQSZACIVSA-N 316.405 2.879 0 40 DFAB CCCCN(C(=O)/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 4504761 VFDBXTORNFPPPR-ZNFPLGDCSA-N 321.442 2.516 0 40 DFAB O=C(NCCc1ccsc1)C(=O)Nc1ccccc1Cl 13724460 SYFFERGUPFNZMA-UHFFFAOYSA-N 308.790 2.699 0 40 DFAB COc1cc(C=O)ccc1OCCCSc1nnc(C)n1C 8731674 QWYIFGNVPRTGPU-UHFFFAOYSA-N 321.402 2.506 0 40 DFAB CN(C)c1c(Cl)cccc1NC(=O)N1CCN(C2CC2)CC1 96434078 VIVJTFFCUKLJDG-UHFFFAOYSA-N 322.840 2.718 0 40 DFAB O=C1O[C@@H](C(Cl)(Cl)Cl)O[C@@H]1C(Cl)(Cl)Cl 1670661 MURYNVIRLILSCR-VRKGVYIXSA-N 322.786 2.995 0 40 DFAB c1ccc2nc(N3CCOCC3)c(N3CCCCCC3)nc2c1 1681957 IVJSOQZQXBBFRO-UHFFFAOYSA-N 312.417 2.847 0 40 DFAB C[C@@H](CCO)NC(=O)NCCCO[C@@H]1CCCc2ccccc21 89895588 NXHYJCRKKTYMQI-WMLDXEAASA-N 320.433 2.541 0 40 DFAB CCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 2633873 VGSXOJZTGNGMSP-UHFFFAOYSA-N 324.336 2.788 0 40 DFAB CCOC(=O)N1CCC(NC(=O)N(CC(C)C)C(C)C)CC1 71913613 QVDMVUXKNZCXTQ-UHFFFAOYSA-N 313.442 2.683 0 40 DFAB NC(=O)NCc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 69655896 WBIJVBLUQKYAEJ-UHFFFAOYSA-N 315.417 2.792 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 2735984 KNENCZJNRXFRCP-IBGZPJMESA-N 323.440 2.952 0 40 DFAB COC[C@@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8038456 UKGDVGMTGSHLBB-RKDXNWHRSA-N 305.205 2.945 0 40 DFAB O=C(O)[C@@H](Sc1nc(O)c2c(n1)CCCC2)c1ccccc1 12176682 CKWHPTRABNAVAE-ZDUSSCGKSA-N 316.382 2.979 0 40 DFAB C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@H]1CCCO1 41374988 PEHAYGDQASBNKV-TZMCWYRMSA-N 315.373 2.708 0 40 DFAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 53644694 QUCCIUYEHYLRKZ-ZDUSSCGKSA-N 307.419 2.653 0 40 DFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1 806720 DITQPGUQKJRJPS-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB COCCNC(=O)COc1cccc(Oc2ccccc2)c1 3165405 WIVMYSMABRZVKT-UHFFFAOYSA-N 301.342 2.620 0 40 DFAB CCc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 981701 ASOOXBAWLHRAHV-YWEFTTLKSA-N 319.382 2.847 0 40 DFAB O=C(NC[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccs1 57731383 PESOWISDGQIIJC-LBPRGKRZSA-N 318.398 2.623 0 40 DFAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 108533893 VHQFZXJPOFUZNX-CRAIPNDOSA-N 304.409 2.906 0 40 DFAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(-c2ccn[nH]2)c1 24890726 HLNBEXYZGISJDY-NSHDSACASA-N 314.389 2.566 0 40 DFAB COCCn1cnnc1SCCOc1ccc(Cl)cc1 43463825 INABMHQPHXLURF-UHFFFAOYSA-N 313.810 2.749 0 40 DFAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 3278061 FSUHFQWXNRHQLC-SNVBAGLBSA-N 322.213 2.930 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cn1 107329788 KLXXNWVLBLKDGL-SOUVJXGZSA-N 315.417 2.683 0 40 DFAB Cc1cccnc1NC(=O)CCNC(=O)c1ccccc1Cl 10056626 WPFXTYAEVMSPFC-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 10024528 IUIGSPBCCQKUSI-UHFFFAOYSA-N 312.316 2.772 0 40 DFAB Cc1nc(C(=O)OCC(=O)N2CCCc3ccccc32)cs1 58182672 LBQSYRCLYGNJKC-UHFFFAOYSA-N 316.382 2.588 0 40 DFAB O=C(CNCc1ccco1)Nc1ccccc1Br 3335924 KRRQLEJEJLTINZ-UHFFFAOYSA-N 309.163 2.770 0 40 DFAB CCOC(=O)NC(NC(=O)OCC)c1ccc(OCC)cc1 2172463 GPUAOCOVXKHXNA-UHFFFAOYSA-N 310.350 2.576 0 40 DFAB COc1ccc(CN2CCC(c3ccnn3C)CC2)cc1F 58311944 AUPHRCOWZCHFGP-UHFFFAOYSA-N 303.381 2.947 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1Cc1nc2ccccc2o1 10423230 UVVNXDHPEXBSOJ-UHFFFAOYSA-N 311.272 2.832 0 40 DFAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CC[C@H]2CCCC[C@H]2C1 12752517 WSYJHQFTJZLGLQ-DOMZBBRYSA-N 311.389 2.519 0 40 DFAB COc1ccccc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 12807844 HUISXODTIAVGLF-INIZCTEOSA-N 316.376 2.867 0 40 DFAB C/C(=C\c1ccccc1)CNCC1CCN(C[C@@H](C)O)CC1 69351389 LVSNHZBXVIYUIM-NWNNTGRJSA-N 302.462 2.772 0 40 DFAB CON(C)C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 65523464 SWTSCLYGEKSOSN-UHFFFAOYSA-N 312.369 2.891 0 40 DFAB CCCc1noc(CCC(=O)N2CCC[C@@H]2c2ccncc2)n1 65575080 NNSBOCOGAGMDIH-CQSZACIVSA-N 314.389 2.713 0 40 DFAB COc1ccc(Cl)cc1NC(=O)[C@@H](NC(C)=O)C1CCCC1 14122386 KFVVAJAMNWQDJZ-HNNXBMFYSA-N 324.808 2.982 0 40 DFAB COc1cccc2cc(C(=O)N3CCC[C@@H](C)C3)c(=O)oc12 6561228 SNIJOKOCXPFSNI-LLVKDONJSA-N 301.342 2.674 0 40 DFAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1CC1 4987363 RZZTZRHBXUZTFC-QMMMGPOBSA-N 307.350 2.635 0 40 DFAB COc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)c1 67104973 XOCYAZIKAWKAFK-UHFFFAOYSA-N 324.380 2.552 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 7402270 QKGAAUQEMBFGBJ-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB Cc1oc2nc(CN(C)OCc3ccccc3)nc(N)c2c1C 90584040 MJXVLQGHMAMUIX-UHFFFAOYSA-N 312.373 2.985 0 40 DFAB COc1cc(-c2noc(-c3ccc4nsnc4c3)n2)ccn1 96003510 OIHAECUWLAAQQJ-UHFFFAOYSA-N 311.326 2.812 0 40 DFAB COC(=O)[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 9315474 YFBLQCVFNITHMB-OAHLLOKOSA-N 310.309 2.634 0 40 DFAB CC[C@@H](C)NC[C@@H](O)COc1ccc(Br)cc1 26781643 ODEHXRGTXBEZPN-ZYHUDNBSSA-N 302.212 2.577 0 40 DFAB CCc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)[nH]n1 71850049 QJKKCMLHLGPADK-LLVKDONJSA-N 301.346 2.581 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@@H](C)C(=O)N(C)c1ccccc1 71858931 GKBGYZURUMTJTQ-WHEQGISXSA-N 320.414 2.592 0 40 DFAB COc1cccc([C@H]2SCC(=O)N2c2nccs2)c1OC 19927203 NXPMZZJOJDRRQI-CYBMUJFWSA-N 322.411 2.939 0 40 DFAB Cc1cc(C(N)=O)c(NC(=O)CCO[C@H](C)CC(C)C)s1 87297511 PXPFSLWJNAEJII-SNVBAGLBSA-N 312.435 2.935 0 40 DFAB Cc1ccc(N(CCN2C(=O)CNC2=O)Cc2ccccc2)cc1 84150441 LCIDXHCZNBJXGG-UHFFFAOYSA-N 323.396 2.553 0 40 DFAB Cc1ccc(CCOC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 84148812 SUWDNAUQFYRPSQ-UHFFFAOYSA-N 315.413 2.729 0 40 DFAB C1C[C@@H](c2noc(C3CC3)n2)CN(Cc2nnc(C3CC3)o2)C1 72299988 NVFFDDRJTODYAF-GFCCVEGCSA-N 315.377 2.587 0 40 DFAB CNC(=O)[C@@H](Cc1ccccc1)Sc1nnc(C(C)(C)C)o1 97085482 RUBVETYZAIPPAI-GFCCVEGCSA-N 319.430 2.817 0 40 DFAB CN(C)C(=O)c1ccc(CN2CCc3c(Cl)cccc32)[nH]1 97057629 LQQSSBBEMNIXFY-UHFFFAOYSA-N 303.793 2.933 0 40 DFAB CCCS(=O)(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 97054651 OIWPSUFTHRTGCL-SNVBAGLBSA-N 317.279 2.898 0 40 DFAB C[C@@H](CN(C)C(=O)c1ccc(NC=O)cc1)c1nccs1 97108152 OFKQUSBSNRLLKZ-NSHDSACASA-N 303.387 2.587 0 40 DFAB Cc1csc([C@@H](C)CNC(=O)N[C@H]2COc3ccccc32)n1 97109955 NYXPBDVZAUGZHQ-GWCFXTLKSA-N 317.414 2.988 0 40 DFAB CC(C)c1c(C(=O)NCCCO)cnn1-c1cccc(Cl)c1 97175931 NTXAFAXHSPEHLY-UHFFFAOYSA-N 321.808 2.761 0 40 DFAB CCCc1n[nH]c(S[C@H](C(=O)OC)c2ccc(F)cc2)n1 95398215 HAQXGJUDFGSXFC-LBPRGKRZSA-N 309.366 2.903 0 40 DFAB O=C(NCCSCC1CC1)N[C@H]1CCOC2(CCCC2)C1 95426257 QCQWWVTZYBSKTD-AWEZNQCLSA-N 312.479 2.921 0 40 DFAB CCCN1CCC(NC(=O)Nc2ccnn2[C@H](C)CC)CC1 95446393 KFKONJFGQLZUFK-CYBMUJFWSA-N 307.442 2.850 0 40 DFAB CNC(=O)c1cccc(CCN[C@@H](C)Cc2ccc(F)cc2)c1 95423015 WNGCFQUZVAKILB-AWEZNQCLSA-N 314.404 2.949 0 40 DFAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1 95421808 GHRBLEKLAZIABB-GJZGRUSLSA-N 310.438 2.689 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc3cccnc13)CC(=O)O2 85879468 PBWPPNUMJPJOPA-CYBMUJFWSA-N 306.321 2.673 0 40 DFAB biogenic O=c1[nH]ncc(NCc2nc(-c3ccc(F)cc3)c[nH]2)c1Cl 75094615 JPBNPNDBBWPDBW-UHFFFAOYSA-N 319.727 2.565 0 40 DFAB Cc1cc2cc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)oc2cc1C 79379417 NLYZPJOOOOPFMT-CQSZACIVSA-N 314.385 2.742 0 40 DFAB COC(=O)[C@@H](C)c1c(C)nn(Cc2sc(C)nc2C)c1C 89559267 MCSFTQHJFGCYQD-QMMMGPOBSA-N 307.419 2.898 0 40 DFAB O=C(Cn1ccc2ccc(F)cc21)Nc1ccc(CCO)cc1 32069601 IFHUXZKAWYPUDM-UHFFFAOYSA-N 312.344 2.954 0 40 DFAB O=C(C1CC1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903500 WOMLNZCMDCOJHH-UHFFFAOYSA-N 315.348 2.992 0 40 DFAB CC(C)CN1CCNC(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 72351647 GDOQCWMMWVGUQO-IBGZPJMESA-N 323.440 2.748 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1nnsc1-c1ccc(Cl)cc1 72242915 WUIYJOZBZZEAGV-NSHDSACASA-N 323.805 2.767 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(OC)c2)cc1 72228075 KTCIVZZMIYZWLD-IRXDYDNUSA-N 312.369 2.509 0 40 DFAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1 71979819 XONZPSGRXBBZBF-TVIZTDCDSA-N 303.358 2.519 0 40 DFAB Cc1ccsc1[C@@H](O)CNC(=O)Nc1ccc2c(c1)OCO2 70635882 LTLOLSWTSQXTFQ-NSHDSACASA-N 320.370 2.640 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72227171 XCYDIISJCCIXMU-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB O=C(CNc1ccc(C(F)(F)F)cn1)NCc1ccccc1 29627500 XEVVNWAIRMHQBZ-UHFFFAOYSA-N 309.291 2.829 0 40 DFAB Cc1sc(NC(=O)/C=C\C(=O)O)nc1-c1ccc(F)cc1 36627558 QIPKWNIPFJKKQA-SREVYHEPSA-N 306.318 2.837 0 40 DFAB COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)Cc1ccccc1F 188153805 SKDUDZPQJMVTJO-DOMZBBRYSA-N 318.396 2.619 0 40 DFAB CCc1nc2c(s1)[C@H](NCc1nnc3n1CCCC3)CCC2 183843638 ODACZBYXYPFTPJ-LLVKDONJSA-N 317.462 2.801 0 40 DFAB CO[C@@H]1C[C@@H]2C[C@@H](Nc3cccc(N(C)C(N)=O)c3)C[C@@H]2C1 521396118 IVTQCBKHAOXGNA-KPVDHRAQSA-N 303.406 2.817 0 40 DFAB COc1ccc2nc(S[C@@H](C)c3nnnn3C3CC3)[nH]c2c1 191432168 CGWZCEMKJIYKJR-QMMMGPOBSA-N 316.390 2.746 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(N(C)C)c(N)c2)c1 226268627 SIJSZCVQFJZNOS-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1ncnc3nc[nH]c13)C2=O 221920778 VYJDLHKJCUOOCT-CYBUAMNDSA-N 302.403 2.839 0 40 DFAB CCC[C@@H](C)NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736638 CCCAVUDQLLDOKC-LLVKDONJSA-N 306.793 2.960 0 40 DFAB Cc1cc(CCNC(=O)c2sc(-n3cccc3)nc2C)on1 77122096 SEIJNJLXKACUMY-UHFFFAOYSA-N 316.386 2.511 0 40 DFAB O=C(O)c1cccc(CCNC(=O)c2cccc3[nH]ccc23)c1 225448245 IYJMZQMEXBJHGH-UHFFFAOYSA-N 308.337 2.839 0 40 DFAB CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cccnc1 96434104 BRCHHBROEXPUGR-UHFFFAOYSA-N 321.384 2.990 0 40 DFAB Cc1occc1C(=O)N1CCN(CC2CC2)c2ncccc2C1 96198917 HZKJGIWJWWWLNH-UHFFFAOYSA-N 311.385 2.855 0 40 DFAB Cc1oc(CNC(=O)CCc2cccc(F)c2)cc1C(=O)O 95425179 RTTYLVQVYWZZEU-UHFFFAOYSA-N 305.305 2.674 0 40 DFAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccsc3)O2)n1 96057515 OPFYKTXAIMYKMX-MGPQQGTHSA-N 305.403 2.934 0 40 DFAB O=C(Cc1ccc(F)cc1F)Nc1cnn(C2CCOCC2)c1 96123379 WEDUIHUADYANIQ-UHFFFAOYSA-N 321.327 2.694 0 40 DFAB O=C(c1ccco1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238930271 VAAGZHBGLONVID-CYBMUJFWSA-N 309.325 2.959 0 40 DFAB CC(C)N1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1 96216739 QBEKFDYXWUOROZ-QGZVFWFLSA-N 316.445 2.696 0 40 DFAB Cc1ncsc1C(=O)N1CC(Cc2nccc3cc[nH]c23)C1 257266322 MCMXSZQTGVLGKR-UHFFFAOYSA-N 312.398 2.643 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257314418 UWWHWDIMXGYRFO-AWEZNQCLSA-N 321.384 2.599 0 40 DFAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cncnc2C)ccn1 257335283 YJMKIAKOCHBYKQ-INIZCTEOSA-N 310.401 2.726 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 257231212 GFUMMDFDJOKDKU-HNNXBMFYSA-N 313.401 2.837 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257308024 TVCVCHKGMZTNGO-CQSZACIVSA-N 323.400 2.580 0 40 DFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCNC2)n1 257255933 KJLOOHVHCGJIDC-ZDUSSCGKSA-N 300.381 2.816 0 40 DFAB Cc1ccccc1C(=O)NCCn1nc(-c2cccnc2)cc1C 390827291 WFXYQGPAMULTSZ-UHFFFAOYSA-N 320.396 2.992 0 40 DFAB Cc1cccc(C2(C(=O)N3CCC(CC(N)=O)CC3)CCC2)c1 49394670 IXWHRURTDNUHQT-UHFFFAOYSA-N 314.429 2.531 0 40 DFAB Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCCNC2=O)cc1 50636507 UNHTYTREUJAJBJ-AWEZNQCLSA-N 314.410 2.732 0 40 DFAB COc1ccc(CCC(=O)N2CCCC[C@H]2CN(C)C)cc1 66948666 YKYYTZHPVCMTKZ-INIZCTEOSA-N 304.434 2.571 0 40 DFAB COc1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1 952963722 YRVBQASYFWQPQC-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(F)cc2)c1 13084443 QSVUOCIFOCVBKC-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB O=C(Nc1nc2ccccc2s1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13154242 QABHXWMGVKPZJC-FQPOAREZSA-N 316.382 2.982 0 40 DFAB Cc1cccc([C@@H](NC(=O)N(C)CCN(C)C)C(F)(F)F)c1 153291113 MXSXAQFAZZSQRT-CYBMUJFWSA-N 317.355 2.801 0 40 DFAB Fc1ccc(CN2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1 19333970 NEAHDKXLJRICHA-CYBMUJFWSA-N 311.364 2.872 0 40 DFAB CCOc1ccccc1N1CCN(c2ncnc3[nH]ccc23)CC1 21778377 JKTYHXKNBTVRDA-UHFFFAOYSA-N 323.400 2.683 0 40 DFAB CCSc1nnc(NC(=O)[C@H](C)OCC(F)(F)F)s1 31675567 HCHXSLYGYSIUMZ-YFKPBYRVSA-N 315.342 2.556 0 40 DFAB COC(=O)c1cc(-c2cccc(Br)c2OC)on1 260233810 AQKMSMVQOOZLRM-UHFFFAOYSA-N 312.119 2.899 0 40 DFAB O=C1O[C@H](C(=O)O)Cc2ccc(-c3ccc(F)cc3F)cc21 2060993554 QZEXWBYONUDESM-AWEZNQCLSA-N 304.248 2.798 0 40 DFAB Cc1csc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)c1 1614940177 GOYXJSMGGPADPU-CQSZACIVSA-N 322.474 2.772 0 40 DFAB Cc1cc(C)n(CCc2nc3c4ccccc4nc(S)n3n2)n1 424908 CQBPYTXZUOTSII-UHFFFAOYSA-N 324.413 2.622 0 40 DFAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C3CCCC3)cc12 4032905 FQPBREXMEGSXTF-UHFFFAOYSA-N 312.413 2.994 0 40 DFAB CN1C(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2C1=O 23224633 RMSSYPRCHIOVRA-UHFFFAOYSA-N 314.728 2.818 0 40 DFAB Cc1noc(CNC(=O)c2ccc(Oc3nccs3)cc2)n1 225637272 DEPLVLUFIIHTNZ-UHFFFAOYSA-N 316.342 2.557 0 40 DFAB O=C(c1ccc(N2CCOCC2)cc1)C(F)(F)Br 575358480 AWBOQFVBHBKZMZ-UHFFFAOYSA-N 320.133 2.694 0 40 DFAB Cn1c(S[C@H](C(=O)O)c2ccccc2)nnc1-c1ccco1 96191771 GFEHXXQQFWSZBC-LBPRGKRZSA-N 315.354 2.993 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)CCc1ccco1)CC2 31239032 OABVWGGJJXLCAS-UHFFFAOYSA-N 315.369 2.814 0 40 DFAB O=c1c(Cl)c(NCC[C@H]2CCCO2)cnn1-c1ccccc1 40489904 VYVKQMHTLUMULV-CYBMUJFWSA-N 319.792 2.867 0 40 DFAB CCN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(Cl)s1 40473999 GXBKXNPWXKZAPI-LLVKDONJSA-N 316.854 2.519 0 40 DFAB CCc1ccc(C2=NN(C(=O)OC)[C@@](O)(C(F)(F)F)C2)cc1 199896 QLAYQSFFZBNXHJ-ZDUSSCGKSA-N 316.279 2.676 0 40 DFAB Cc1cc2c(NCCC(=O)N3CCCCC3)ncnc2s1 31866381 RKRSLCLHYZGRBJ-UHFFFAOYSA-N 304.419 2.814 0 40 DFAB O=S(=O)(O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 1634056 HCGNOXKHAGHZAL-UHFFFAOYSA-N 300.339 2.990 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 202720 RHHRRJQNVUNINO-KDOFPFPSSA-N 317.385 2.824 0 40 DFAB biogenic COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1OC 20744961 OBDNXMIYTRGXJM-ZDUSSCGKSA-N 305.359 2.851 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CNc1cccc(Cl)c1 4157267 QRZWZSAHUUMHES-DJBIQUGXSA-N 302.761 2.517 0 40 DFAB COc1ccc(OCCCC(=O)NCc2cccnc2)cc1 7504582 MOXMEURCNSHTLZ-UHFFFAOYSA-N 300.358 2.566 0 40 DFAB CCCOc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 7668763 IWIIJYJADUYTLX-UHFFFAOYSA-N 319.401 2.891 0 40 DFAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C1CC1 32741776 IIRFUCFKDGYDHJ-NSHDSACASA-N 316.430 2.891 0 40 DFAB O=C(NCCc1cccc2cccnc12)c1cccnc1S 32898890 LCZMDMTYDPFVBX-UHFFFAOYSA-N 309.394 2.891 0 40 DFAB CCN(C(=O)COC(=O)c1cc2ccccc2cc1O)C1CC1 46248759 QNTUZABNKNZHSG-UHFFFAOYSA-N 313.353 2.713 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)nc1 2726165 OAXVLVAYDHVLJI-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB CCOc1cccc2c1OCC(C(=O)N[C@H](C)[C@H]1CCCO1)=C2 46777412 ZXYYJWPAKYLXSN-IUODEOHRSA-N 317.385 2.545 0 40 DFAB Cc1ccc(-n2c(C)c(C)c3c(=N)n(CCCO)cnc32)cc1 101404620 CWQPHIHNDWKCPW-UHFFFAOYSA-N 310.401 2.614 0 40 DFAB O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)NC1CC1 42933505 YPAXVRIUMIKIAP-UHFFFAOYSA-N 322.412 2.606 0 40 DFAB COC(=O)CCN(Cc1ccccc1)C(=O)c1cccs1 55434977 QYZDONCRLAOQFA-UHFFFAOYSA-N 303.383 2.954 0 40 DFAB Cc1c([C@H](C)NC(=O)CCc2ccc(F)c(F)c2)cnn1C 25004803 NJRNIAGZMHNNMW-JTQLQIEISA-N 307.344 2.817 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCCS1(=O)=O 89878722 SEXGWONGQQLMFT-CVEARBPZSA-N 315.394 2.505 0 40 DFAB Cc1noc(C2CCN(C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 106756006 XMMUMLPSJFRDOY-UBHSHLNASA-N 320.462 2.621 0 40 DFAB CCN1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 57000601 BUACROABYAEFDT-UHFFFAOYSA-N 313.401 2.803 0 40 DFAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCn1ccnc1 22519580 QBTKGEONQKNMMA-INIZCTEOSA-N 315.417 2.864 0 40 DFAB CC(C)c1cc(C(=O)NCCN2CCCCC2)nn1C(C)(C)C 44529544 PVNQUDAQLAXIAX-UHFFFAOYSA-N 320.481 2.977 0 40 DFAB CC[C@H](C)NC(=O)c1occc1CS(=O)(=O)c1ccccc1 27338899 PYGFNQPURXVVHR-LBPRGKRZSA-N 321.398 2.782 0 40 DFAB Cc1cc(C)nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 44714051 KIMLCOCHBKSKRR-GFCCVEGCSA-N 305.403 2.670 0 40 DFAB C[C@@H](NC(=O)N1CCSCC1)c1ccc2c(c1)OCCCO2 44969027 GMFRGPFPTLIVAG-GFCCVEGCSA-N 322.430 2.667 0 40 DFAB COc1cc(C(=O)NO[C@@H]2CCCCO2)ccc1OC(C)C 58341412 LLOWDELJODFVHF-OAHLLOKOSA-N 309.362 2.670 0 40 DFAB CC1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)CC1 36392357 DHUVIXCJSGYXPU-KOHJWAIASA-N 321.396 2.620 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 10737716 YRUSOTXDZCHTPR-HNNXBMFYSA-N 323.352 2.597 0 40 DFAB COc1ccccc1CNC(=O)c1cc2c(C)nn(C)c2s1 12796593 KPMGLNOVNWBHBS-UHFFFAOYSA-N 315.398 2.882 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 13300049 XXRUGNORSGQOLG-UHFFFAOYSA-N 319.310 2.525 0 40 DFAB O=C(CCc1ccc(F)cc1)NC[C@H]1COc2ccccc2O1 25450229 PFGBEEPCZBHSLH-HNNXBMFYSA-N 315.344 2.715 0 40 DFAB N[C@H](CSCc1ccccc1)C(=O)OCc1ccccc1 64219540 RWISUDSSXJFKIY-MRXNPFEDSA-N 301.411 2.991 0 40 DFAB Cc1[nH]c2ccc(CNC(=O)c3cnn4cccnc34)cc2c1C 65118698 ZEPCNJAGPPZJCQ-UHFFFAOYSA-N 319.368 2.757 0 40 DFAB CN(C)C1(CNC(=S)NCc2ccccc2)CCCCC1 6335965 BRHMVYGLGTYRSR-UHFFFAOYSA-N 305.491 2.915 0 40 DFAB CO[C@H](c1nc2c([nH]1)CC(C)(C)CNC2=O)c1cccs1 65465653 ARPHHCWLPBDTAC-LBPRGKRZSA-N 305.403 2.519 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1 65412405 MDWCSUFVMMTZEJ-LBPRGKRZSA-N 319.430 2.945 0 40 DFAB CSc1ccccc1NC(=O)N1CCC(n2cncn2)CC1 69563287 HCMRLBCSSBYQLV-UHFFFAOYSA-N 317.418 2.869 0 40 DFAB COc1ccccc1N(C)CC(=O)Nc1nc(C)c(C)s1 65608373 GQQCAHLNTFGVRN-UHFFFAOYSA-N 305.403 2.843 0 40 DFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1 7052068 ADPOLDOURNIOSA-UHFFFAOYSA-N 308.334 2.585 0 40 DFAB CC(=O)c1ccccc1NCc1cc(=O)n2c(C)csc2n1 15321933 KZJHOAMLGYSGAK-UHFFFAOYSA-N 313.382 2.879 0 40 DFAB CCCN(CCC)C[C@@H](O)COc1ccc(C(C)=O)cc1OC 68048653 SIJBVZPQVPGALO-MRXNPFEDSA-N 323.433 2.760 0 40 DFAB O=C(Nc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCC3 7670130 XLHLKGRCFKLSMN-UHFFFAOYSA-N 323.327 2.734 0 40 DFAB NC(=O)N1CCCN(Cc2cccc(-c3ccccc3)c2)CC1 92754258 OEBZLNHTMNVSJA-UHFFFAOYSA-N 309.413 2.940 0 40 DFAB Cc1cccc(C2=CCN(CC(=O)Nc3nncs3)CC2)c1 92822217 UOWJFDCCQIXBRA-UHFFFAOYSA-N 314.414 2.574 0 40 DFAB COc1cc(Br)ccc1CN[C@@]1(C)CCOC1 96005649 UJSHBPHPGIBKEA-ZDUSSCGKSA-N 300.196 2.726 0 40 DFAB COc1ccc([C@@H](O)CN[C@@H](C)c2cc(O)ccc2OC)cc1 96006892 QBYQBODZMRPFGN-SJCJKPOMSA-N 317.385 2.794 0 40 DFAB CC(C)c1nc(Cn2nc(C(F)(F)F)ccc2=O)cs1 89893572 MPOOFMOSMGBNPI-UHFFFAOYSA-N 303.309 2.890 0 40 DFAB Cc1ccc(F)c(C(=O)N2CCC(O)(C(F)(F)F)CC2)c1 89950135 XVSYVSGSDMMEDO-UHFFFAOYSA-N 305.271 2.664 0 40 DFAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 71803735 DIMUJJYIXFJNDM-UHFFFAOYSA-N 303.749 2.623 0 40 DFAB CCCOCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 87258780 GBMMDGMOYYOZQU-FUHWJXTLSA-N 313.401 2.655 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)no1 76043466 MOPJCNBFWDPVBO-OCCSQVGLSA-N 315.398 2.759 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@H]2CCc3ccc(F)cc32)n1 76092711 NLCLLOZDAFXFSJ-ZDUSSCGKSA-N 320.393 2.538 0 40 DFAB Cc1cccc(OC2CCN(Cc3noc(C4CC4)n3)CC2)n1 97082887 MZSXSISYNJKQAA-UHFFFAOYSA-N 314.389 2.694 0 40 DFAB CNC(=O)c1cccc(N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 76084198 BZEOQDOCTGLSDS-KRWDZBQOSA-N 323.396 2.572 0 40 DFAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccccc1OCC1CC1 76070604 KSQVPTDREAGSNZ-DZGCQCFKSA-N 304.390 2.758 0 40 DFAB Cc1nc(Cl)cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 84271833 CJKKKGZGEWUFAJ-UHFFFAOYSA-N 318.743 2.975 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N1CCNC(=O)[C@H]1C(C)C 97161900 JATFPNDKQAILFR-CYBMUJFWSA-N 309.797 2.637 0 40 DFAB O=C(OC1(Cc2ccccc2)CC1)c1cnc2ccccn2c1=O 97162996 WDQXNCCUIVREET-UHFFFAOYSA-N 320.348 2.627 0 40 DFAB O=C(c1cccc2cn[nH]c12)N1CCC[C@@H]1c1noc(C2CC2)n1 84494015 NAZOPZJPJFFJKG-CYBMUJFWSA-N 323.356 2.801 0 40 DFAB Cc1ccc(C)c(N(CC(=O)NC[C@@H]2CCOC2)C(C)C)c1 95396754 UCICLLRFRQUUAR-INIZCTEOSA-N 304.434 2.671 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc3ncccc3c2)[C@H](C)C1 84718254 IKQSTBDIYYPOTJ-PBHICJAKSA-N 311.429 2.971 0 40 DFAB COc1ccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)nn1 95406991 DARNBGQPQKXKTB-CQSZACIVSA-N 312.373 2.582 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 95452010 OGUIARVRXDAAMR-MRXNPFEDSA-N 324.384 2.722 0 40 DFAB C[C@H](c1nnnn1-c1ccccc1)n1c(=O)sc2ccccc21 95425977 AQQKUOMLCXVCJK-LLVKDONJSA-N 323.381 2.648 0 40 DFAB O=C(NC[C@H](O)c1cccs1)c1sccc1OC(F)F 73147060 NGTXFLODGOAFLJ-ZETCQYMHSA-N 319.354 2.874 0 40 DFAB CCC1(CC)[C@@H](NC(=O)c2ccc3[nH]cnc3c2)C[C@@H]1OC 95970891 QLRDRUGJSMUIBZ-GJZGRUSLSA-N 301.390 2.886 0 40 DFAB CN1CCCN(C(=O)Nc2cc(-n3cccc3)ccc2F)CC1 95999769 BITCLRCFYHODGB-UHFFFAOYSA-N 316.380 2.786 0 40 DFAB O=c1cc(N2CC=C(c3ccc(O)cc3)CC2)nc2ccccn12 95946860 ORNHJCLMBDBGGW-UHFFFAOYSA-N 319.364 2.694 0 40 DFAB Cn1ccnc(Sc2ncc(C(F)(F)F)cc2Cl)c1=O 95961949 KUHBWKQOSOEDJF-UHFFFAOYSA-N 321.711 2.999 0 40 DFAB CC[C@H](C)[C@@](C)(O)CNC(=O)c1cn(C)nc1-c1ccccc1 89286590 XVERZFCHYOPUPW-UGSOOPFHSA-N 315.417 2.614 0 40 DFAB C[C@H](CNC(=O)C(=O)NCCC1CCCCC1)c1ccccc1 408707330 NCOIQFPVZVUWSR-OAHLLOKOSA-N 316.445 2.993 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)N(CC(F)F)C1CC1 78610860 JPQIUWROOIDHIE-UHFFFAOYSA-N 311.328 2.696 0 40 DFAB CCCOCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 77647855 GZFOCBBHNZRBEK-LLVKDONJSA-N 306.189 2.570 0 40 DFAB O=C(O)[C@H](c1ccsc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 565253249 HSIAXUXLZJLQQQ-ZNMIVQPWSA-N 309.431 2.747 0 40 DFAB CC(C)n1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 36365901 BQTHQUMGLKXJOV-UHFFFAOYSA-N 322.416 2.734 0 40 DFAB C[C@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)n1cccn1 567582737 YFGWXGLBIIHUQI-QAPCUYQASA-N 313.401 2.608 0 40 DFAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C2CC2)n1 264617159 HCPMAPSAYQMRPU-UHFFFAOYSA-N 318.421 2.720 0 40 DFAB CCOC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1 43224376 KATQWLUBZIPBMO-UHFFFAOYSA-N 302.296 2.880 0 40 DFAB O=C(CCCn1ccnn1)Nc1ccc(F)cc1-n1cccc1 195562817 PMWAYYKJNQXPSW-UHFFFAOYSA-N 313.336 2.627 0 40 DFAB CC[C@@H]1C[C@H](NC(=O)N2CCOc3ccc(C)cc3C2)CCO1 570506303 XMYMQOHUQBRIIB-HZPDHXFCSA-N 318.417 2.857 0 40 DFAB COC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC(C)CC1 225639930 KUVHXLFKYOTBCC-UHFFFAOYSA-N 321.373 2.684 0 40 DFAB O=C(NCc1ccncc1)c1cc2cccc(Cl)c2oc1=O 226039171 ODQOANWLNCRCEM-UHFFFAOYSA-N 314.728 2.771 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)c1 42645842 TWHCAERBBRZURM-UHFFFAOYSA-N 304.296 2.528 0 40 DFAB O=C(NCc1ccco1)NC[C@H]1CCO[C@@H]1c1ccccc1 80566531 YJXVGZCHFBZWGW-GDBMZVCRSA-N 300.358 2.857 0 40 DFAB Cc1nc(-c2cccnc2)nc(N2CCC[C@@H](CCO)C2)c1C 96429418 HZXZFJPRZLIYHS-HNNXBMFYSA-N 312.417 2.754 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 94598203 AHZILNKIEATXJQ-VIFPVBQESA-N 305.227 2.534 0 40 DFAB O=C1N(c2ccccc2)CC[C@]12CCCN(c1ncccn1)C2 96074030 JQXOJXGWZJDYOG-SFHVURJKSA-N 308.385 2.500 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CNC(C)=O)cc1 96416537 TUVOWXLGWHMTOU-HOTGVXAUSA-N 320.458 2.727 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)cc1 96232467 RWQLZSAOKOQFSM-UHFFFAOYSA-N 312.373 2.889 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)CC(=O)N2C)cc1 96181397 IECQUNKNXLFREE-NVXWUHKLSA-N 300.402 2.527 0 40 DFAB NC(=O)N1CCC[C@@H]1COC(=O)c1ccc(Cl)cc1Cl 96442216 KBYOUZWYSUBVAC-SECBINFHSA-N 317.172 2.693 0 40 DFAB CC1CCC(O)(CN2CCC[C@@H](c3nncn3C3CC3)C2)CC1 91631572 AXNKKBNXXJILTM-SWKXRBFHSA-N 318.465 2.734 0 40 DFAB CCN(CC)C(=O)c1ccccc1NC(=O)Nc1ccn(C)n1 97099300 YKBALQZFLQLIFF-UHFFFAOYSA-N 315.377 2.546 0 40 DFAB Cc1cc(N)cc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257290455 QDALUEBKYJXOQO-DVBCCOPCSA-N 323.396 2.586 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)s1 257266230 MCBNREAEIDYSMW-CYBMUJFWSA-N 318.446 2.740 0 40 DFAB C[C@@]12C[C@H]3CN(C(=O)c4ccc5ccccc5n4)[C@@H]1CCC[C@@H]2N3 257306057 SSSQFUAAVCMGLP-DEYWJSPQSA-N 321.424 2.980 0 40 DFAB O=C(CCc1ccc(Cl)cc1)N1CCOC[C@H]1c1ccn[nH]1 257207403 BHOYLLZMHNZSNP-HNNXBMFYSA-N 319.792 2.596 0 40 DFAB CCn1cc(CN2CCCC[C@@H]2c2ccnc(NC)n2)c(C)n1 257326190 WWFCXUULGDTVFF-MRXNPFEDSA-N 314.437 2.770 0 40 DFAB Cc1cc(C)n(-c2cc(NC(=O)Cc3ccccc3C)ncn2)n1 90614258 IUYNICZHSPTOAL-UHFFFAOYSA-N 321.384 2.769 0 40 DFAB CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cc(C)cc(C)c2)C1 585285990 GIPAWHFLEYUIND-OALUTQOASA-N 321.461 2.669 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCN(CCc2cccs2)CC1 55643423 NUQIUGXMRFXUEA-UHFFFAOYSA-N 323.849 2.730 0 40 DFAB Cn1nccc1C1CCN(Cc2cccc3c2OCCO3)CC1 58355153 MVHWGTYPTFZRCU-UHFFFAOYSA-N 313.401 2.571 0 40 DFAB C[C@@H]1CN(C(=O)c2cccnc2S)C[C@@H](c2ccccc2)O1 58404358 XYDTWBBNCSDAHI-DOMZBBRYSA-N 314.410 2.973 0 40 DFAB C[C@H](CNC(=O)NC[C@@H]1Cc2ccccc2O1)c1nccs1 96013771 ZUXDVNRFAUFASI-YPMHNXCESA-N 317.414 2.550 0 40 DFAB CC[C@@H]1CCCCN1CCCn1c(O)nc2ccccc2c1=O 1565522337 GDZCXQOQDCFORO-CQSZACIVSA-N 315.417 2.757 0 40 DFAB FC(F)(F)c1nnc2ccc(N3C[C@H]4CCCC[C@@H]4C3)nn12 301535280 IQOUVUAHOWNTSZ-NXEZZACHSA-N 311.311 2.770 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2CCC23CCOCC3)cc1 585406945 DQHGPZHZIANPHT-INIZCTEOSA-N 303.402 2.703 0 40 DFAB O=C(NCCCc1ccc(F)cc1)c1cc(-c2ccccn2)n[nH]1 12143750 WLLLKHBEMUMYPZ-UHFFFAOYSA-N 324.359 2.973 0 40 DFAB O=c1c2ccccc2nc(O)n1-c1cccc(OC(F)(F)F)c1 15424696 WQSLZBIQYLLABC-UHFFFAOYSA-N 322.242 2.990 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)CCc1ccccc1 16092396 RTCCLJAYAAUBBM-NSHDSACASA-N 308.403 2.591 0 40 DFAB CC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2C)cs1 17025882 NXWLKTCZXLBBEH-UHFFFAOYSA-N 303.387 2.900 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CN(C)C 19078959 OLLMDMYMUYCEOU-KBPBESRZSA-N 308.397 2.536 0 40 DFAB CC(C)c1nnc(NS(=O)(=O)c2c(F)cccc2Cl)o1 153620653 MQJFEVNOXFVKGI-UHFFFAOYSA-N 319.745 2.786 0 40 DFAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCC1CCN(C)CC1 156418760 MDNSQNDSSAKXEH-CYBMUJFWSA-N 324.852 2.955 0 40 DFAB COc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1 2566148 VVDZZNWYISOIDK-UHFFFAOYSA-N 302.326 2.931 0 40 DFAB biogenic,in-vitro O=C(NC1CCOCC1)N1CC2(CC(c3ccccc3)C2)C1 1776001091 YNXFFENOOATYBE-UHFFFAOYSA-N 300.402 2.755 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 9823288 DFTPNFGEKAUHLI-AWEZNQCLSA-N 315.760 2.789 0 40 DFAB FC(F)Oc1ccc(CN2CC(Oc3ccncc3)C2)cc1 2070386248 KOAZJILISPIIPY-UHFFFAOYSA-N 306.312 2.946 0 40 DFAB COc1c2c(cc3c1[C@H](CC(=O)C(C)C)N(C)CC3)OCO2 20111714 YUMYKNOGIGNCRN-LBPRGKRZSA-N 305.374 2.568 0 40 DFAB biogenic C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccsc1 40493714 YHNHWUTWZNHYLJ-GWCFXTLKSA-N 300.383 2.756 0 40 DFAB Cc1cc(C(=O)CCC(=O)N[C@H](C)Cn2cccn2)c(C)s1 31396965 UACHEGHDLJYMQQ-LLVKDONJSA-N 319.430 2.729 0 40 DFAB C[C@@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1cccs1 40553237 VYUSNGJBVOXWHR-LLVKDONJSA-N 315.398 2.769 0 40 DFAB Cc1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 181457 YQPFKHWXSHHUGF-QWHCGFSZSA-N 304.777 2.882 0 40 DFAB O=C(COc1cccc2nsnc12)Nc1ccc(F)cc1 20567720 AXMCEELUGVISQR-UHFFFAOYSA-N 303.318 2.848 0 40 DFAB O=C(O)C[C@@H]1CN(C(=O)Cc2cccs2)c2ccccc21 32185998 CRUOTXNCUMLZOM-LLVKDONJSA-N 301.367 2.896 0 40 DFAB CCN(CC(=O)N(C)C)Cc1csc(-c2ccc(C)o2)n1 51792311 XJFCYXAGPWMWJW-UHFFFAOYSA-N 307.419 2.622 0 40 DFAB COc1ccccc1OCCC(=O)NCc1ccc(F)cc1 8131146 VRVFXGYACJTLAJ-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB COc1ccc([C@H](O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 6411345 AZJHEHMCDGFJGU-SECBINFHSA-N 318.213 2.974 0 40 DFAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2)cc1 6587832 QMHABYNFGKABCP-UHFFFAOYSA-N 311.385 2.504 0 40 DFAB CCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 2658020 LEYCIKCECNAMKC-UHFFFAOYSA-N 321.354 2.584 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)OCCO2 20025635 GFGQPMLSOGXIDL-GFCCVEGCSA-N 313.353 2.957 0 40 DFAB Cc1c(Cl)c(C(=O)N[C@@H](C)CN(C(C)C)C(C)C)nn1C 2781558 SIXZDSDUQCUBSR-NSHDSACASA-N 314.861 2.619 0 40 DFAB COc1ccc2c(CC(=O)N3CCO[C@H]4CCC[C@H]43)coc2c1 53382228 VJABZUJZNHFJLY-CVEARBPZSA-N 315.369 2.764 0 40 DFAB O=C(OCc1ccno1)C(O)(c1ccccc1)c1ccccc1 60752318 VMDAKIOSOWMSRB-UHFFFAOYSA-N 309.321 2.654 0 40 DFAB COc1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1 12322176 REVAHTGYHVJGRJ-UHFFFAOYSA-N 315.760 2.926 0 40 DFAB Cc1ccc(C)c([C@@H]2CN(CCN3CCOC3=O)[C@@H](C)CO2)c1 110641189 UQVPUULDDZPVOV-RDJZCZTQSA-N 318.417 2.517 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)no1 24746557 YZQWTBNWAJNXLA-GFCCVEGCSA-N 314.389 2.551 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106837811 CKARBKHCSAUSET-ZOBUZTSGSA-N 300.402 2.740 0 40 DFAB O=C(Cc1ccn[nH]1)NCCc1cccc(-c2ccccc2)c1 89851202 FNVYMZOIGLJJJS-UHFFFAOYSA-N 305.381 2.978 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(F)cc1 101748064 FUUAOXCZTSOACV-ZYIYBEKCSA-N 301.317 2.533 0 40 DFAB Cc1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)no1 107712053 BUMAEPCSYFMNIP-MSOLQXFVSA-N 320.433 2.781 0 40 DFAB OC[C@H]1CCCN(c2nn3cc(-c4ccccc4)nc3s2)C1 12525167 GDIQLPBGENVPEC-LBPRGKRZSA-N 314.414 2.667 0 40 DFAB COc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1OC 58049376 XOFBKLLGNDYBJW-UHFFFAOYSA-N 320.433 2.650 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1 58246144 ZUBIEWJVCARRQH-UHFFFAOYSA-N 324.380 2.785 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)C1CC(c2ccccc2)C1 58323235 XFNHNFRABYFWTP-UHFFFAOYSA-N 319.368 2.999 0 40 DFAB O=C(NC[C@H]1CCCCO1)c1cccc(CN2CCCC2)c1 58378026 KKOMOLMFCLQRAU-QGZVFWFLSA-N 302.418 2.581 0 40 DFAB Cc1ccn2cc(C(=O)NCCO[C@H]3CCCC[C@@H]3C)nc2c1 58369453 HDVYMCGOIWJDHU-HOCLYGCPSA-N 315.417 2.968 0 40 DFAB CC1CCC(C)(NC(=O)Nc2ccc(-n3cncn3)nc2)CC1 58342301 HNIAEDWHKMQUJZ-UHFFFAOYSA-N 314.393 2.753 0 40 DFAB Cc1cnc(NC(=O)c2ccc(N3CCOC3=O)cc2)s1 36392181 OUCFRYQQLPLNOK-UHFFFAOYSA-N 303.343 2.660 0 40 DFAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C=O)cc2)c1 3386939 YKAXBRPDIBXKQJ-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccn1)c1cccs1 48237009 CPWLLNXBDLQKRK-FZMZJTMJSA-N 317.414 2.588 0 40 DFAB O=C(COc1ncnc2ccccc12)c1ccc2c(c1)OCO2 39588364 QHZLGQKKABACQP-UHFFFAOYSA-N 308.293 2.620 0 40 DFAB COc1ccc(CN2Cc3ccccc3OCC2=O)cc1OC 65184339 HNDWTKHCVQRDMD-UHFFFAOYSA-N 313.353 2.625 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ncccn1 14093031 PPPTWWPVGCYRIW-LLVKDONJSA-N 303.387 2.913 0 40 DFAB CN(C)C(C)(C)CNC(=O)N[C@H]1CCCOc2ccc(F)cc21 65547272 OLSQGVNZTHCIRM-AWEZNQCLSA-N 323.412 2.679 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)nc1 69519037 DQAKURKHMSUTII-UHFFFAOYSA-N 310.231 2.538 0 40 DFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 5555969 NVYLIFPIUWMMMH-INIZCTEOSA-N 321.332 2.977 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 24014322 WRQTWCDGJCBJIG-VBQJREDUSA-N 300.402 2.898 0 40 DFAB Cc1cc(N2CCSC3(CCCCC3)C2)n2ncnc2n1 80247245 SMJLHGVHJPTMJP-UHFFFAOYSA-N 303.435 2.689 0 40 DFAB O[C@]1(CN[C@H](c2ccccc2)c2ccc(F)cc2)CCOC1 90850187 LVXOSLHWNIUOQS-MSOLQXFVSA-N 301.361 2.656 0 40 DFAB CS(=O)(=O)c1ccc(NCCC[C@@H]2CCCC[C@H]2O)cc1 96009747 YOBKRECGCJMJNL-XJKSGUPXSA-N 311.447 2.833 0 40 DFAB Cc1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1C 93454895 SLJPIJSDOFVDCM-SFHVURJKSA-N 313.445 2.983 0 40 DFAB COc1ccccc1CNC(=O)c1cncn1-c1ccccc1 9319281 VCCYNYZNXSJWIZ-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB COc1cc(CNC(=O)C[C@H]2CCOc3ccccc32)ccn1 96409819 HIKNBCKVJSDXRW-CQSZACIVSA-N 312.369 2.663 0 40 DFAB COCc1cc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)no1 96436179 HQIJCOLXRSYTMZ-UHFFFAOYSA-N 318.377 2.919 0 40 DFAB C[C@H](NC1(CNC(=O)[C@H]2CCOC2)CCCC1)c1ccccc1 71890842 XXTZPBYJZHDOEO-RDJZCZTQSA-N 316.445 2.803 0 40 DFAB CCO[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)c1ccccc1 71866672 HOWSQDDIAYHVKT-SJORKVTESA-N 313.401 2.652 0 40 DFAB C[C@H]1CN(Cc2cccc(C(N)=O)c2)[C@H](c2ccccc2)CO1 76148128 ZKDIKSGAHHAOQT-KSSFIOAISA-N 310.397 2.748 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)OC[C@@H]2CC2(Cl)Cl)c1C 9868582 UDJXTZOIIYFQKL-QMMMGPOBSA-N 320.172 2.769 0 40 DFAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)CCc1ccco1 72286749 GDHWBMVELBNMQY-UHFFFAOYSA-N 321.398 2.704 0 40 DFAB OC[C@H]1CCCN1c1cc(NCc2cc3ccccc3o2)ncn1 72276127 ZGBLVJWAXPZYOL-CQSZACIVSA-N 324.384 2.796 0 40 DFAB O=C(CCc1ccncc1)N1CCC[C@@H](c2nccs2)C1 72272328 GRXHCJYGBWQHEA-CQSZACIVSA-N 301.415 2.877 0 40 DFAB O=C(Nc1ccc(Cn2cccn2)cc1)[C@H](C1CC1)N1CCCC1 97376443 QZQDRFRWYHSKOA-SFHVURJKSA-N 324.428 2.744 0 40 DFAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cscn2)cc1 97376316 GMCUYRJQESMYAP-JTQLQIEISA-N 304.371 2.747 0 40 DFAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccnn1C1CCCCC1 78936860 SUKZQOWJFJAFCK-OCCSQVGLSA-N 306.410 2.671 0 40 DFAB CC[C@@](C)(NCc1cccc(C(=O)NC)c1)c1nccs1 72684315 AAPFURLPCHAPDK-MRXNPFEDSA-N 303.431 2.918 0 40 DFAB O=C(N1CC[C@H](Oc2ccncc2)C1)C1(c2ccccc2)CC1 84525078 FMXQDNKLWCFTDV-KRWDZBQOSA-N 308.381 2.793 0 40 DFAB C[C@H](COC(=O)c1ccc2nncn2c1)COc1ccccc1 84640532 WHVCDJWLBNAJTK-ZDUSSCGKSA-N 311.341 2.601 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)NCc1cc(F)cc(F)c1 95404473 HPTRSQPJIDZQKO-SNVBAGLBSA-N 300.349 2.561 0 40 DFAB CCc1nc(CC(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cs1 95430005 YUVZSQGPGVXQRF-MGPLVRAMSA-N 322.405 2.625 0 40 DFAB CCN(CCO)C(=O)c1cc2c(s1)-c1ccccc1CC2 98075431 UMTIUFRNKDNFBO-UHFFFAOYSA-N 301.411 2.968 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCO[C@H](C)C3)cc12 24831024 ZXKSFJUOWMRYBG-LLVKDONJSA-N 321.446 2.923 0 40 DFAB CCc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 95964286 RTTMVFAUPCNBCH-JKSUJKDBSA-N 309.431 2.581 0 40 DFAB CN(C(=O)Nc1nc(-c2cccnc2)ns1)[C@H]1CCSC1 95975331 WISOARDZLAPBNE-JTQLQIEISA-N 321.431 2.569 0 40 DFAB Cc1cccc(NC2CCN(C(=O)NCC(F)(F)F)CC2)n1 75141905 GGTPZRDOLPVGNL-UHFFFAOYSA-N 316.327 2.538 0 40 DFAB Cc1c(-c2nnc(-c3ccccn3)o2)nnn1-c1ccccc1 20744513 LAVAZOGMATUNIP-UHFFFAOYSA-N 304.313 2.688 0 40 DFAB COc1cc(CN(C)c2nccc(C(F)(F)F)n2)sn1 1548524299 CSRPPMVZMPTSRW-UHFFFAOYSA-N 304.297 2.597 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1cccc(F)c1)CC(C)C 31705360 FMMZHECOVMZBFP-AWEZNQCLSA-N 310.369 2.716 0 40 DFAB CC(C)N1CCC[C@@H](Cc2ccc(N3CCSCC3)nn2)C1 72387416 AEWGCGQQEZBHLC-HNNXBMFYSA-N 320.506 2.693 0 40 DFAB COc1ccc([C@H]2OCCN2C2C[C@@H]3CC[C@H](C2)N3C)cc1 35123858 BAFOXNWKCVEVEK-IXEWLPCDSA-N 302.418 2.651 0 40 DFAB Cc1cc(C)n2nc(C(=O)N[C@H](c3ccccc3)C3CC3)nc2n1 32865701 LHLGDEMEOFZQKS-OAHLLOKOSA-N 321.384 2.622 0 40 DFAB COc1cc(-c2noc(CN)n2)ccc1OCc1ccccc1 72220490 OXQAONUDUKGNAT-UHFFFAOYSA-N 311.341 2.783 0 40 DFAB CSc1nnc(Cn2c3c(sc2=O)CCCCC3)s1 79090094 KLFXWBZNZCWJEV-UHFFFAOYSA-N 313.473 2.800 0 40 DFAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccn1 74825447 DPIRPYHIJPHQDJ-LLVKDONJSA-N 310.806 2.916 0 40 DFAB CCOc1ccc2ccccc2c1C(=O)NCc1nc(C)no1 44454091 AISXIYQRSUOXPO-UHFFFAOYSA-N 311.341 2.860 0 40 DFAB CCc1noc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 41122760 AJRULSQEVYTHLA-CQSZACIVSA-N 315.373 2.765 0 40 DFAB CC(C)(NC(=O)CCc1ccnc2ccccc12)c1ncc[nH]1 567595900 RVLDOIZETFFSES-UHFFFAOYSA-N 308.385 2.942 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@@H](N)c1ccccc1 195544129 IEVCESVDQNZIAB-OLMNPRSZSA-N 310.397 2.675 0 40 DFAB O=C(c1cscn1)N1CCC(O)(c2ccccc2Cl)CC1 192405147 OPSOPTVHTYVKDU-UHFFFAOYSA-N 322.817 2.920 0 40 DFAB CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCSC1 89936622 ZBOKPJMUBAAHQS-LLVKDONJSA-N 321.414 2.620 0 40 DFAB CN(C)CCCNC(=O)CSCc1ccc(Cl)cc1F 223966539 MQYTZSXYIYALSU-UHFFFAOYSA-N 318.845 2.780 0 40 DFAB COC[C@@H](C)C(=O)NCc1cccc(C)c1Br 191734368 PJOHMNKNWMNOGR-SNVBAGLBSA-N 300.196 2.656 0 40 DFAB CN(C(=O)c1nnn(-c2ccc(Cl)cc2)n1)c1ccccc1 75163638 XNKRJFQTMBRSTM-UHFFFAOYSA-N 313.748 2.592 0 40 DFAB C[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2CC=CC[C@@H]2[C@H]1O 199401902 MTYQUGSUAYFVFG-BUIXCFAXSA-N 310.397 2.842 0 40 DFAB CN(c1cnccn1)S(=O)(=O)c1ccc(C(C)(C)C)s1 331255375 ACOXDMSNPQYNMW-UHFFFAOYSA-N 311.432 2.661 0 40 DFAB O=C(C1CCCC1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211674 DJDAVEFKTYDSGP-UHFFFAOYSA-N 324.428 2.916 0 40 DFAB CC[C@@H](C)Oc1cc(-c2nc(C(C)(C)NC(C)=O)no2)ccn1 96494524 JFVWBDUPFOXRDT-SNVBAGLBSA-N 318.377 2.680 0 40 DFAB c1cc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1 96453516 KMYZPRSTNIAZIN-UHFFFAOYSA-N 317.458 2.845 0 40 DFAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC(C)C 96441195 RUPHTOXCUXYYSG-UHFFFAOYSA-N 319.449 2.822 0 40 DFAB Cc1cc(C)c(C(=O)Nc2ccc(OCC(C)C)nc2)c(=O)[nH]1 96408104 OPJGXCHAVSSOOJ-UHFFFAOYSA-N 315.373 2.674 0 40 DFAB OC[C@@H](CNc1cncc(Br)c1)Cc1ccccn1 96455822 ZKMBWJRRHJYHCY-LLVKDONJSA-N 322.206 2.502 0 40 DFAB c1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)cs1 96197254 IDQSMACEESKCSF-UHFFFAOYSA-N 316.474 2.946 0 40 DFAB Cc1cc(C)n2cc(CNc3ccc(-n4cncn4)cc3)nc2n1 96453957 DFDUJCDJVKDHGT-UHFFFAOYSA-N 319.372 2.539 0 40 DFAB CCn1cc(C(=O)NCC[C@@H](C)c2ccc(OC)cc2)cn1 96423375 PNSDFCHDOMGDSI-CYBMUJFWSA-N 301.390 2.835 0 40 DFAB Cc1cccc(-c2c(S(C)(=O)=O)sc3[nH]nc(N)c23)c1 96532171 ZKFWNZJKPXADKV-UHFFFAOYSA-N 307.400 2.586 0 40 DFAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C[C@@H](C)O1 96411463 TYCQPZRUAFNAFQ-KBXIAJHMSA-N 312.454 2.647 0 40 DFAB Cc1ccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)o1 96047151 QZLKWPQLAFQNOT-GOSISDBHSA-N 312.417 2.871 0 40 DFAB Cc1cc(N2C[C@H]3CCC[C@H](Cc4cncnc4)[C@H]3C2)ncn1 257290633 QDRQNHAJRLXNNW-BRWVUGGUSA-N 309.417 2.670 0 40 DFAB O=C(c1cccc2c1OCCO2)N1CCCC[C@H]1c1ccn[nH]1 257283056 OWPMDUZFNLINES-AWEZNQCLSA-N 313.357 2.548 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)COc2ccccc2)ccn1 257315957 VDMYKALVDVPYGQ-MRXNPFEDSA-N 311.385 2.866 0 40 DFAB Cc1nccc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 257203187 AOZLEOCGZAYSEF-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB CCc1cc(N2CCC[C@H](Nc3ncccc3F)C2)ncn1 267774012 LOANJXUPTJBHMC-ZDUSSCGKSA-N 301.369 2.654 0 40 DFAB CCn1cc(-c2noc([C@H](C)NC(=O)OC(C)(C)C)n2)c(C)n1 575410825 KSUSLGLOSNHYMR-JTQLQIEISA-N 321.381 2.847 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 69592259 PDRSDFNJWSLRLN-LSDHHAIUSA-N 314.433 2.633 0 40 DFAB C[C@H](C1CC1)N(C(=O)NC1CCC2(CC1)OCCO2)C1CC1 73631477 ZBBCSOJTIPTCBE-GFCCVEGCSA-N 308.422 2.645 0 40 DFAB C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)c2cccnc2O1 89941261 PAVBFOANZVDDNI-STRFDMGBSA-N 316.382 2.670 0 40 DFAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCc1ccco1 5702688 NLWQWUAKQQIPPP-UHFFFAOYSA-N 324.336 2.544 0 40 DFAB Cc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1N 16666705 BYMFQSKMPHHREA-UHFFFAOYSA-N 316.368 2.820 0 40 DFAB O=C(C[C@@H](NC1CCCC1)C(=O)O)Nc1cccc(Cl)c1 195672 BEBLJUWEVGBOJE-CYBMUJFWSA-N 310.781 2.654 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCc1nnc2ccc(C(F)(F)F)cn12 21975899 KZTLEXDDKBYQON-SNVBAGLBSA-N 324.306 2.721 0 40 DFAB O=C(O)c1sccc1S(=O)(=O)N1CCCc2ccccc21 36904899 VYISRVJEZOGRLG-UHFFFAOYSA-N 323.395 2.588 0 40 DFAB COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1 4137930 TYWRRQGOKLODMP-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193138 SUCRWERHHPDMCB-CQSZACIVSA-N 324.380 2.621 0 40 DFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@H](CF)C1 1849471297 LDQPAVOFMWAFIB-LLVKDONJSA-N 305.328 2.658 0 40 DFAB COC1CCN(C2CN(C(=O)Nc3ccc(C)c(C)c3)C2)CC1 575610661 MLNYOHYKGPYCFJ-UHFFFAOYSA-N 317.433 2.630 0 40 DFAB Cn1c(CN2CCN(c3ccccc3)CC2)nc2ccccc21 33312492 SPANKRVWSHQPRS-UHFFFAOYSA-N 306.413 2.896 0 40 DFAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 40050797 GTWYJEZKHPKHAA-GHMZBOCLSA-N 302.296 2.941 0 40 DFAB CC(=O)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 78590 OKMFDRNARAGBIC-UHFFFAOYSA-N 313.309 2.871 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 780489 WVGZKMKAUNVSTF-UHFFFAOYSA-N 308.809 2.717 0 40 DFAB Cc1ccc2nc(COC(=O)c3cc(C)oc3C)cc(=O)n2c1 7424821 AEIPDNAFMRPYHI-UHFFFAOYSA-N 312.325 2.570 0 40 DFAB Clc1ccc(CN(Cc2nnnn2C2CC2)C2CC2)cc1 52075612 IYUKXSBIZGZVJP-UHFFFAOYSA-N 303.797 2.826 0 40 DFAB N=C(NCc1ccccc1CN1CCOCC1)Nc1ccccc1 57752201 UFFQDFGWJNIXDT-UHFFFAOYSA-N 324.428 2.655 0 40 DFAB CCN(CC)Cc1cccc(CNc2ncnc3c2cnn3C)c1 52427878 PPUQLYIUAYAQRN-UHFFFAOYSA-N 324.432 2.817 0 40 DFAB COc1cc(CNC(=O)Cc2cccs2)cc(OC)c1OC 8361438 WZCLQUCUJBEAFJ-UHFFFAOYSA-N 321.398 2.633 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCCCCC1 16484815 XQSUZOHYNUBPMA-LSDHHAIUSA-N 309.454 2.657 0 40 DFAB Cc1cccc(-n2nc(CSc3nccn3C)cc2O)c1 10157369 WRFFHWJWNDOTTN-UHFFFAOYSA-N 300.387 2.912 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2ncc3c(n2)CCCC3=O)cc1 491133 PHUBOSLRWRLYBG-JXMROGBWSA-N 323.352 2.656 0 40 DFAB biogenic Cc1nn(C)c(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 32930844 NOAFFGHFNSMHHM-LLVKDONJSA-N 319.836 2.980 0 40 DFAB CCOc1nn(CC)cc1C(=O)Nc1cc(OC)ccc1OC 9070483 OFLORGXJJZGNER-UHFFFAOYSA-N 319.361 2.571 0 40 DFAB CCCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1Cl 568680 OJCALLQKESMGGX-UHFFFAOYSA-N 300.767 2.651 0 40 DFAB CC(=O)Nc1nc(CC(=O)N2CCCc3ccccc32)cs1 9814660 LKAWLXXCTUYOLI-UHFFFAOYSA-N 315.398 2.623 0 40 DFAB CCN(CC)C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 57711533 CRFUJKULKPLFEM-UHFFFAOYSA-N 323.868 2.639 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 41984965 JBJMLPJOTBYUMS-UHFFFAOYSA-N 319.368 2.712 0 40 DFAB CCc1ccc(NC(=O)Cc2nc3ccsc3c(=O)[nH]2)cc1 53847659 RRXAOSYTKGQEMM-UHFFFAOYSA-N 313.382 2.728 0 40 DFAB CCn1/c(=N/C(=O)c2ccn(C)n2)sc2c(C)cc(C)cc21 101070558 IVHKPAWWTDDIEJ-MSUUIHNZSA-N 314.414 2.814 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 24397591 XJSMTOKHQCUXFP-VIFPVBQESA-N 321.402 2.609 0 40 DFAB CCNC(=O)c1cnc(-c2ccncc2)nc1-c1ccccc1 1381893 PWFGDVVLRVRJBF-UHFFFAOYSA-N 304.353 2.955 0 40 DFAB C[C@@H]1CN(C)CC[C@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 106517368 PMQJHIMVXQDALA-BXUZGUMPSA-N 314.351 2.704 0 40 DFAB CC[C@@H]1C(=O)NCCN1C(=O)C(c1ccccc1)c1ccccc1 106689779 BCHIXKXWFGNNJE-QGZVFWFLSA-N 322.408 2.556 0 40 DFAB C[C@@H](c1ccco1)N(C(=O)c1cccc(-n2cnnn2)c1)C1CC1 56182064 QNMXKFUFPULYLR-LBPRGKRZSA-N 323.356 2.621 0 40 DFAB COCCCNC(=O)Nc1ccc(CCN2CCCCC2)cc1 56764461 GENBIJUMTAVTLX-UHFFFAOYSA-N 319.449 2.873 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 3194437 CSXANMDCODNXIY-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB in-vitro CN(CCOc1ccc(F)cc1)C(=O)c1ccc2[nH]cnc2c1 12544405 OCZVOEHFWXUVRL-UHFFFAOYSA-N 313.332 2.853 0 40 DFAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccn1 58246147 BEFCPVFTPHKQPX-ZDUSSCGKSA-N 310.275 2.564 0 40 DFAB CCN(C)c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc1 58289296 QAYSPRIDBCEVQE-LBPRGKRZSA-N 300.406 2.676 0 40 DFAB COCCOCCCC(=O)N[C@@H](C)CCc1ccc(OC)cc1 58341702 KGDOGDPTJWQLRQ-HNNXBMFYSA-N 323.433 2.576 0 40 DFAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCCC1 10709768 QHNKXXVEKUKOEN-SNVBAGLBSA-N 322.459 2.647 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 10967356 LYRXXEXOANRMHR-TZMCWYRMSA-N 307.415 2.624 0 40 DFAB CCC[C@@H](C(=O)OCC)N(C)CC(=O)Nc1c(C)cccc1C 70012317 OSXULYDCJOPXEK-HNNXBMFYSA-N 320.433 2.906 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)no1 70037167 FIAGEVUQPONWNK-CYBMUJFWSA-N 302.378 2.780 0 40 DFAB Clc1snnc1CSc1nncn1Cc1ccco1 48399393 KLVASYNKZHELPW-UHFFFAOYSA-N 313.795 2.717 0 40 DFAB Cc1csc(CCNC(=O)c2cc(-c3ccco3)on2)n1 69349267 HLWXPQLJOSIMPZ-UHFFFAOYSA-N 303.343 2.672 0 40 DFAB CC[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)CCO1 69371805 XSRWXXPVLUCCKF-JTQLQIEISA-N 300.305 2.931 0 40 DFAB CC(C)Cc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 69373783 ZUFPSPOZIKHGBS-UHFFFAOYSA-N 315.461 2.875 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)O[C@@H]1CN2CCC1CC2 4020507 MCMIZHFFNRDDER-JKJYUFNASA-N 304.434 2.776 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1csc(-c2nc[nH]n2)n1 69435062 DKJGYDDEVDEBSC-JTQLQIEISA-N 313.386 2.728 0 40 DFAB CN(Cc1cccnc1)C(=O)c1cccc(NC(=O)C2CC2)c1 49945075 PRZMERHTRLWFIU-UHFFFAOYSA-N 309.369 2.702 0 40 DFAB COc1ccccc1OC1CN(Cc2cccc3c2OCO3)C1 65421050 LTJATTMHHIFUEZ-UHFFFAOYSA-N 313.353 2.687 0 40 DFAB CCc1ccsc1C(=O)N(CCC(N)=O)Cc1ccccc1 65474614 SYCCAEYKQUQSLM-UHFFFAOYSA-N 316.426 2.828 0 40 DFAB COc1ccc(CC[C@H](C)NC(=O)N2CCSCC2)cc1 65587950 RUGGOJSKUOSOPP-ZDUSSCGKSA-N 308.447 2.775 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2c2ncnc3ccccc23)n1 69872228 WODUGWNWJSPYAE-OAHLLOKOSA-N 322.416 2.897 0 40 DFAB CCc1cccc(NC(=O)COC(=O)c2ccc(C=O)cc2)c1 6407637 PSLONFOTJQNDID-UHFFFAOYSA-N 311.337 2.857 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(CC)s2)cc1 14165818 XYAFGQPZQWHWMZ-UHFFFAOYSA-N 320.374 2.921 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2cccs2)c(O)c1 4580162 DYIWDTYLIZIWSM-LLVKDONJSA-N 319.382 2.796 0 40 DFAB O=C1C[C@@H](C(=O)OCCc2cccs2)c2ccccc2N1 65662406 YYYYTFBOWYKCOH-CYBMUJFWSA-N 301.367 2.960 0 40 DFAB CC(C)CCN(C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 65625720 RZBKBWIOZATYQG-UHFFFAOYSA-N 314.393 2.705 0 40 DFAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cccnc3)CCC2=O)c1 5931440 XZEQSXHKBKDKRY-UHFFFAOYSA-N 322.368 2.820 0 40 DFAB O=C1C[C@@H](c2ccccc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8770025 HLTTYSYBCNRZKR-AWEZNQCLSA-N 317.348 2.911 0 40 DFAB Cc1ccc(Nc2nnc(SCCC(N)=O)s2)cc1C 7032423 CHLROBGQOPHQPZ-UHFFFAOYSA-N 308.432 2.866 0 40 DFAB CCc1nc2nc(C)c(Cc3cccc(Cl)c3)c(O)n2n1 18223214 WUQKURBAPHGVHU-UHFFFAOYSA-N 302.765 2.945 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7638996 RTTJSEUASPXGPZ-CQSZACIVSA-N 312.344 2.813 0 40 DFAB CCOCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 16093660 KNVOTNUUJBEHFK-UHFFFAOYSA-N 312.218 2.698 0 40 DFAB C[C@H](O)CN(C)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010645 WFOHSOMBJSIKQJ-ZDUSSCGKSA-N 324.384 2.870 0 40 DFAB Cc1sc2nc(NC[C@H]3CCCO3)n3ncnc3c2c1C 9304181 HDDCVJCEMZOFNB-SNVBAGLBSA-N 303.391 2.547 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2ccccn2)cc(OC)c1OC 9363911 ROJDIUOXLYCEIG-NSHDSACASA-N 316.357 2.598 0 40 DFAB O=C(CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1ccccc1 89821706 WFJLZCYECWNARF-HNNXBMFYSA-N 311.385 2.779 0 40 DFAB CCCOc1cc(CNS(=O)(=O)CC(CC)CC)ccn1 89960286 SDZHGBHDQVLNDU-UHFFFAOYSA-N 314.451 2.726 0 40 DFAB CCc1noc(CN2CCC([C@H](O)c3ccccc3)CC2)n1 71794779 VKUNFXASNGRPFA-QGZVFWFLSA-N 301.390 2.578 0 40 DFAB CCOC(=O)c1cc2cc(N[C@@H]3CCN(C)C3=O)ccc2s1 96407717 WHUDPFOMDDNKHO-GFCCVEGCSA-N 318.398 2.721 0 40 DFAB Cc1c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1C 96490894 APPDXQADFSLYAR-LSDHHAIUSA-N 319.792 2.642 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)n1 71870265 YRJZMKISUBDZQK-HRCADAONSA-N 313.401 2.888 0 40 DFAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(C2CC2)o1 71824531 CUIPYSCTUSOZOC-UHFFFAOYSA-N 319.670 2.829 0 40 DFAB O=C(CCSc1ccccn1)N1CCO[C@@H]2CCCC[C@H]21 87134193 OPBPAAYCKPIZFJ-ZIAGYGMSSA-N 306.431 2.734 0 40 DFAB Cc1nc(S)sc1CC(=O)Nc1cc(C(C)(C)C)n[nH]1 84064586 VZRAHJVJPAEEAD-UHFFFAOYSA-N 310.448 2.942 0 40 DFAB CC[C@H](NC(=O)NCc1ccnn1C)c1cc(F)ccc1F 72294045 VYRAYQOXYHEEBF-AWEZNQCLSA-N 308.332 2.649 0 40 DFAB O[C@H](CN[C@H]1CCCSC1)c1cccc(OC(F)F)c1 97084661 RIBWTQSDUCMVEU-WCQYABFASA-N 303.374 2.807 0 40 DFAB C[C@]1(CO)CCC[C@H]1NC(=O)[C@H]1SCCc2sccc21 84673377 WWEWQXIAOSMNAV-VNHYZAJKSA-N 311.472 2.746 0 40 DFAB Cc1cnc2c(c1)N(C(=O)c1cc3ccccc3oc1=O)CCO2 95445567 WGJWKGYAGWRQEL-UHFFFAOYSA-N 322.320 2.536 0 40 DFAB C[C@@H](CNC(=O)COc1ccccc1O)c1ccc(F)cc1F 95430612 UJJCUGWSXRRMJE-NSHDSACASA-N 321.323 2.969 0 40 DFAB CCS[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)nn(C)c1C 79000963 NHHQUXSHQSUDNU-HUUCEWRRSA-N 309.479 2.760 0 40 DFAB COC[C@](C)(CCO)Nc1nc(C(F)F)nc2ccccc12 79099241 HCZKWQVUCQPVIC-HNNXBMFYSA-N 311.332 2.767 0 40 DFAB CCCOCC(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 95957287 HTABQGQJOOWEHF-UHFFFAOYSA-N 324.384 2.685 0 40 DFAB CC(C)(C)n1ncn(Cc2csc(Br)c2)c1=O 95992769 COOTXSRSGYWRSW-UHFFFAOYSA-N 316.224 2.672 0 40 DFAB CSC1(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)CCOCC1 74738877 QPHSHXJMUHLVMX-KBPBESRZSA-N 312.479 2.873 0 40 DFAB CCCOc1cccc(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c1 110681189 SXGYLIXBYFUSNZ-OWCLPIDISA-N 304.390 2.595 0 40 DFAB FC(F)(F)c1cccc(NCCCOC[C@@H]2CCOC2)n1 77229476 VLFLCKQZNLWWSR-NSHDSACASA-N 304.312 2.956 0 40 DFAB Cc1ccc(CN(C)C)cc1NC(=O)COc1ccccc1O 152497660 ZKTHAIZTJMUHGO-UHFFFAOYSA-N 314.385 2.780 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2)cc1Cl 72227888 JZUFLSSYXQOLRD-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB Nc1nnc(COc2ccc(Cl)cc2Br)o1 216907116 PEHMXIVSEZIHNQ-UHFFFAOYSA-N 304.531 2.647 0 40 DFAB Cc1ccc(CN(C)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76940117 RHCMLJBABMOFJP-ZDUSSCGKSA-N 322.405 2.803 0 40 DFAB O=C1C[C@H](c2cccnc2)c2c(ncn2-c2ccc(F)cc2)N1 66091719 MAFWXQVGMVFYBF-CQSZACIVSA-N 308.316 2.881 0 40 DFAB O=C(Nc1nn2c(-c3cccc(Cl)c3)nnc2s1)C1CC1 41076551 BUYSSCVJMXHEKO-UHFFFAOYSA-N 319.777 2.855 0 40 DFAB CCOc1ccc(NC(=O)Nc2cnc(N(C)C)nc2)cc1 75161938 YVVKCGRLYIRSCR-UHFFFAOYSA-N 301.350 2.585 0 40 DFAB CN(CC(=O)N1CC2(CC2)c2ccccc21)[C@@H]1CCSC1 195547438 KTROSKHMUURSAP-CYBMUJFWSA-N 302.443 2.502 0 40 DFAB O=C(Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)C1CC1 41076511 FUNOJBPZAXPOLR-UHFFFAOYSA-N 319.777 2.855 0 40 DFAB S=C(NCc1nc(-c2cccs2)no1)Nc1cccnc1 225827895 JTABACGGRAXJIL-UHFFFAOYSA-N 317.399 2.680 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@H]1C[C@H]2C=C[C@@H]1C2 195530070 YGAUOQWWEWHPFY-YUTCNCBUSA-N 321.384 2.690 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ncccc1C 96118828 RLSCSFGRQAEQMM-UHFFFAOYSA-N 322.368 2.942 0 40 DFAB C[C@H](CCc1cccc(F)c1)NC(=O)N(C)C[C@@H]1CCOC1 95408189 OXPDZTIRHPZYFX-HIFRSBDPSA-N 308.397 2.825 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)nn1 96496544 DGAAAPLGKXQZNP-GFCCVEGCSA-N 306.410 2.541 0 40 DFAB CN1CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2 96071408 DUUFXENGUSKNDI-IBGZPJMESA-N 309.413 2.935 0 40 DFAB O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@H]1CCCc2ccccc21 332008099 XKQWIBCTLIOCIS-NSHDSACASA-N 309.291 3.487 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](C)COCC(C)C 96415405 OOBLCYVWFRYCSH-VXGBXAGGSA-N 311.426 2.583 0 40 DFAB C[C@@H](Oc1ccc(OCc2cccc(F)c2F)cc1)C(N)=O 96429009 SVJRDDLQFWDWST-SNVBAGLBSA-N 307.296 2.796 0 40 DFAB O=C(Nc1cc(CCO)ccn1)[C@@H]1SCCc2sccc21 579734805 YBCHQSZMVPWQEE-CQSZACIVSA-N 320.439 2.647 0 40 DFAB COC1CCN(CCNCc2ccc(F)cc2Cl)CC1 97228729 VVJYRZKHWXENMI-UHFFFAOYSA-N 300.805 2.680 0 40 DFAB COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2ccno2)cc1 583615563 JIZUYZPFZORFSQ-SJORKVTESA-N 302.374 2.555 0 40 DFAB CC(C)(C)C(=O)NCC(=O)NC1CC(c2cccc(Cl)c2)C1 96426622 KIRNZHHXBLASCN-UHFFFAOYSA-N 322.836 2.865 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(C)cc1=O 95463624 IOCGFFCJXYOOCO-CQSZACIVSA-N 316.426 2.754 0 40 DFAB CCn1cc(C(=O)C(=O)Nc2ccc(C)c3ncccc23)cn1 95442232 OISJUMBWPZTMCD-UHFFFAOYSA-N 308.341 2.581 0 40 DFAB CN(Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCOC1 96490074 OKJDYMQBFHSGRP-ZDUSSCGKSA-N 305.809 2.994 0 40 DFAB CC(C)c1nccn1CC(=O)NCc1cnn(-c2ccccc2)c1 97236156 MYGMOSCSGPXOMT-UHFFFAOYSA-N 323.400 2.509 0 40 DFAB CC(C)c1cc(NC(=O)N2CCc3ccccc3[C@@H]2CO)no1 96483085 OYCQXFWFPYIUBY-AWEZNQCLSA-N 315.373 2.922 0 40 DFAB COc1ccc2c(c1)N1C(=S)NN[C@H]1C=C2c1ccccc1 96305851 UMRJKLKMGBHQSF-MRXNPFEDSA-N 309.394 2.666 0 40 DFAB COc1ccc(C[C@@H](C)N(C)Cc2nsc(N(C)C)n2)cc1 96483214 KWJWMPDEXFEZTA-GFCCVEGCSA-N 320.462 2.676 0 40 DFAB Cc1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 257255312 KGZSIIVJEFLWGU-OAHLLOKOSA-N 319.430 2.775 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 257222500 DTNFAMRWEJDYJG-GOSISDBHSA-N 312.413 2.741 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257327967 XDOURLMWYXYXJH-HNNXBMFYSA-N 320.396 2.906 0 40 DFAB c1ccc(COC[C@@H]2CN(Cc3ccoc3)Cc3cncn32)nc1 253595385 CQVCWRGEGOOKLR-SFHVURJKSA-N 324.384 2.645 0 40 DFAB COCCN1CCC[C@@H]1c1nccnc1Nc1ncc(C)s1 299851543 RECPXNJDSYTREP-GFCCVEGCSA-N 319.434 2.768 0 40 DFAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2ncc[nH]2)n1 257236103 HATYEKKCYALNRJ-CQSZACIVSA-N 324.388 2.809 0 40 DFAB O=C(/C=C/c1ccccc1)NC1CCN(c2nccs2)CC1 96383594 UUZXDRJLBNYDPX-VOTSOKGWSA-N 313.426 2.942 0 40 DFAB CC(C)Oc1ccc(CCNC(=O)c2coc(CO)c2)cc1 585141846 ZMSAPQWHVNGKAC-UHFFFAOYSA-N 303.358 2.532 0 40 DFAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)s1 152337178 BBWMAXOZUDYIDV-JTQLQIEISA-N 307.806 2.805 0 40 DFAB CCCn1cc(NC(=O)Nc2ccc(OC)cc2)ccc1=O 57265280 OULYYRNYPBSLER-UHFFFAOYSA-N 301.346 2.911 0 40 DFAB Cc1cncnc1N1CCN(c2nc3ccccc3s2)CC1 641287232 JFFDYZUKBYDGFL-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB O=C(NCc1cnn2c1CCCC2)c1ccc(Br)o1 225609868 KSOXZPJCAANZIN-UHFFFAOYSA-N 324.178 2.505 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 16046587 ALFMEKQPGVKMNX-UHFFFAOYSA-N 324.336 2.798 0 40 DFAB CCN(Cc1cscn1)[C@@H]1CCOC2(CCN(C)CC2)C1 643913730 FAUUSAMTLPZPMC-OAHLLOKOSA-N 309.479 2.608 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1 1889070484 DREOBKWRBZBPNJ-MRVPVSSYSA-N 321.368 2.903 0 40 DFAB CCn1cc(Br)c(C(=O)N2CCC(C)CC2)n1 28227804 TZNMBEJGJQGLIE-UHFFFAOYSA-N 300.200 2.538 0 40 DFAB O=C(c1cc2ccccc2s1)N1CC(Nc2ncccn2)C1 238852162 JNVPXJGTYPXFHT-UHFFFAOYSA-N 310.382 2.628 0 40 DFAB CC1CCC(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)CC1 1565544893 ADLFYODZFDKYOK-JCYILVPMSA-N 322.493 2.915 0 40 DFAB Cc1cccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)c1 5154345 KZOWPEDAUYXIRD-UHFFFAOYSA-N 310.332 2.947 0 40 DFAB Cc1ccc2ncc(C(=O)Nc3cccc(Cl)c3)c(=O)n2c1 9830063 BVGSEFWDUOKHOA-UHFFFAOYSA-N 313.744 2.909 0 40 DFAB CC(C)Oc1ccc(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 10220463 QSUMBICCXYMTOQ-MRXNPFEDSA-N 319.401 2.889 0 40 DFAB Cn1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)n1 11695527 BDINEWNJOFGRGS-UHFFFAOYSA-N 310.382 2.895 0 40 DFAB Cn1nccc1[C@H]1CCCCN1C(=O)c1cnc2ccccc2n1 281363637 SYNWKXLBTOQUJN-QGZVFWFLSA-N 321.384 2.731 0 40 DFAB CCc1ncnc(N2CCC[C@@H](COc3nccs3)C2)c1F 2298187961 NOPTVUDACJDWPX-LLVKDONJSA-N 322.409 2.930 0 40 DFAB CN(CC(=O)N1CCCC1)C(=O)/C=C/c1cccc2ccccc12 40039596 WVBHVGZTQAQLIJ-VAWYXSNFSA-N 322.408 2.934 0 40 DFAB CC1=C(C)[C@@H](NCc2cccs2)N(C[C@@H]2CCCO2)C1=O 20123879 XEOHMZKFXGOQLG-ZFWWWQNUSA-N 306.431 2.521 0 40 DFAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)NCCC1=CCCCC1 40468795 KAKOYZITGKDBLY-ZDUSSCGKSA-N 315.417 2.593 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)O)[C@@H]1CCCO1 36380 QSTKODXKMBQPDL-MFKMUULPSA-N 311.765 2.857 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NCc2cccc(N(C)C)n2)c1 90851553 REJNRQAJCQVXMN-ZDUSSCGKSA-N 312.417 2.957 0 40 DFAB O=C1[C@@H]2ON=C(/C=C/c3ccccc3)[C@H]2C(=O)N1c1ccccc1 101510062 XNLMCXIBUGXMOR-CSLLIFPHSA-N 318.332 2.644 0 40 DFAB COc1ccc2oc(=O)c(-c3nc(-c4ccncc4)no3)cc2c1 6867992 VAFWBWKINLYHFS-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccsc2)n(C)n1 46089402 UWJABJIVAMEULQ-ZDUSSCGKSA-N 304.419 2.566 0 40 DFAB O=C(NCc1ccccc1CN1CCCC1=O)C1CCCC1 32787539 VMYYBHLBJCFLGL-UHFFFAOYSA-N 300.402 2.615 0 40 DFAB C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)c1nncn1C 69697234 ZLXJNPSUJAQQEK-ZDUSSCGKSA-N 305.426 2.632 0 40 DFAB O=C(C[C@@H]1[C@@H]2CN(Cc3cccs3)C[C@@H]21)NCc1ccco1 107745936 QFPZSGHXRWIPRG-MUJYYYPQSA-N 316.426 2.725 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 32912570 ZFTPQNFVBJKYHB-CQSZACIVSA-N 322.311 2.829 0 40 DFAB CC[C@@H](C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 41577928 QJPZEQFYRFGDEM-OAHLLOKOSA-N 303.450 2.809 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 58377824 AYZHJNIJFWCNHK-ZDUSSCGKSA-N 319.405 2.976 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1C 806839 ODWBDEGKIAVYKL-GFCCVEGCSA-N 315.398 2.752 0 40 DFAB Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@H]1C[C@H]2CC[C@H]1O2 110638622 VRMDJVHWYWHDAH-KLZNWCGWSA-N 318.417 2.629 0 40 DFAB O=C(O)[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ccc(Cl)cc1Cl 108332218 PPJAJGGQNARTGA-PUMQYWBSSA-N 300.141 2.539 0 40 DFAB O[C@](CCN1CCOCC1)(c1ccccc1)c1ccc(F)cc1 27346091 UTVHVRXKPMZXFT-LJQANCHMSA-N 315.388 2.784 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 25358394 AUHAPVLZNRHJMF-JKSUJKDBSA-N 323.331 2.544 0 40 DFAB CCS[C@H]1CCCCN([C@H](C)c2nc(-c3nnc[nH]3)no2)C1 107148463 OQPGSAVNMJLKMP-MNOVXSKESA-N 322.438 2.523 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)C1=Cc2ccccc2CC1 12548548 GGZHNJOSWIYOEC-UHFFFAOYSA-N 317.414 2.766 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCSCC1 89830097 ZXQVLVITMUPUED-GFCCVEGCSA-N 318.364 2.918 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCn2cccn2)C1 89894277 LVBPGRBWYUDDDR-CABCVRRESA-N 322.453 2.508 0 40 DFAB CCc1noc([C@@H](C)N2CCN(Cc3ccsc3)CC2)n1 44349905 XPQNQYIHEGZBKU-GFCCVEGCSA-N 306.435 2.572 0 40 DFAB CC(C)c1ccc(OCCC(=O)NC2CCC(O)CC2)cc1 63837643 SDBKTKLOUMPNFU-UHFFFAOYSA-N 305.418 2.999 0 40 DFAB COc1ccc(CNC(=O)CSc2nc(C)cs2)cc1 3414012 LHCHOSOOMQUOLT-UHFFFAOYSA-N 308.428 2.869 0 40 DFAB C[C@@H](NC(=O)CSc1ccccc1C(=O)O)c1ccco1 12930969 PLEOSIXFKKMPIE-SNVBAGLBSA-N 305.355 2.947 0 40 DFAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(C)s1 8183706 MBPHIQXNXLLQIK-UHFFFAOYSA-N 317.413 2.705 0 40 DFAB Cc1cc(C)n(-c2ccc(CNCc3csc(C)n3)cn2)n1 48743253 KWWIOEJKAXYOBZ-UHFFFAOYSA-N 313.430 2.939 0 40 DFAB COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CC=CCC1 69818282 YFYVOLFVVDRPLR-OAHLLOKOSA-N 303.406 2.596 0 40 DFAB CNC(=O)c1cc(NC(=O)Cc2ccc(C)s2)ccc1F 64435909 DPIKEMKFWCEVOX-UHFFFAOYSA-N 306.362 2.736 0 40 DFAB O=C(NC(C1CC1)C1CC1)N1CCCN(c2nccs2)CC1 64754500 SOOGZOHGYLKXJS-UHFFFAOYSA-N 320.462 2.553 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nnco2)cc1 5208611 DNMNQEOAGSVPLT-WFASDCNBSA-N 315.373 2.810 0 40 DFAB CCOC(=O)c1ncccc1NC(=O)c1ccc(C)c(F)c1 65565364 MOXYYYHAWFXXEM-UHFFFAOYSA-N 302.305 2.958 0 40 DFAB COc1ccc(C(=O)Nc2csnc2CC(C)=O)cc1OC 6549818 RPVOXCLILORCAK-UHFFFAOYSA-N 320.370 2.544 0 40 DFAB Fc1ccc(CN2CCC[C@H]2Cn2cncn2)c2ncccc12 69489664 SCKHEBAQBDZUIO-AWEZNQCLSA-N 311.364 2.630 0 40 DFAB O=C(Nc1cccc(-n2cnnc2)c1)c1c(O)cc(F)cc1F 66044870 XCAWSBOHJCIONK-UHFFFAOYSA-N 316.267 2.503 0 40 DFAB CCOC(=O)NC(=O)COC(=O)[C@H](c1ccccc1)[C@@H](C)CC 5681653 CMOUWNKGRJUVQD-WFASDCNBSA-N 321.373 2.632 0 40 DFAB O=C(C[S@](=O)Cc1cccc(F)c1)Nc1cccc(F)c1 66301959 UWNPXBBWSPHDAI-NRFANRHFSA-N 309.337 2.852 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(C)cc2)c1 67010520 MHWJKPMCWTYJLK-CQSZACIVSA-N 318.442 2.754 0 40 DFAB CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccco1 6938338 SNXUQPBRAVQDBV-INIZCTEOSA-N 311.385 2.723 0 40 DFAB CS[C@H]1CCC[C@@H]1NC(=O)NC1(c2noc(C)n2)CCCC1 80488033 JGMQTKPIAVLXQZ-RYUDHWBXSA-N 324.450 2.731 0 40 DFAB CCc1ccc(OCC(=O)NC[C@H](c2ccco2)N(C)C)cc1 15831502 NZPKXBIZUOBOOR-MRXNPFEDSA-N 316.401 2.640 0 40 DFAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)cc1 69510355 NUGSOFVINGQMDK-JKSUJKDBSA-N 314.429 2.926 0 40 DFAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C)c1ccncc1 69568968 VWAQBBNSBIYWSQ-KBPBESRZSA-N 317.433 2.734 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2nc[nH]n2)n1 69568380 FVDCSOWRXNVOLZ-SNVBAGLBSA-N 313.386 2.761 0 40 DFAB CCOc1ccccc1C(=O)NCc1ccc(C(=O)OC)cc1 8943021 DGQXEPLAJNLANB-UHFFFAOYSA-N 313.353 2.802 0 40 DFAB COc1ccc([C@@H](NCc2nnc(C)o2)C(F)(F)F)cc1 96002530 GMRZZOHSXGXMGB-GFCCVEGCSA-N 301.268 2.780 0 40 DFAB Cc1ccoc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 71893712 LJJQPXRBWIWYRW-LBPRGKRZSA-N 318.760 2.777 0 40 DFAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)NCc2cccnc2)C1 71897546 UBJMKBBQPNQEKR-OAHLLOKOSA-N 318.465 2.781 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)NCCC(=O)NC(C)C)c1 71885933 SUBDKOHHMHFNMT-AWEZNQCLSA-N 305.422 2.578 0 40 DFAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC1 20111555 HDFKALZTNNCKQA-INIZCTEOSA-N 308.397 2.585 0 40 DFAB COC(=O)c1csc(NC(=O)CCCc2ccccn2)c1 83895663 JJOFBGFHGGMXIE-UHFFFAOYSA-N 304.371 2.891 0 40 DFAB COCC(=O)N(C1CC1)[C@@H](C)c1ccc2c(c1)OCCCO2 72274689 QLEGFFISQCWAPR-LBPRGKRZSA-N 305.374 2.546 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@H](C(=O)O)C(C)C)c2)cs1 97017540 NZGPXJUAFNCPQC-AWEZNQCLSA-N 318.398 2.958 0 40 DFAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc(F)c(F)c(O)c1F 97080073 LTVKLHZEPWPWTK-SECBINFHSA-N 323.270 2.543 0 40 DFAB O=C(Cc1cccc2ccccc12)N1CC[C@@](O)(C(F)(F)F)C1 77990753 VPGCMXQCNNUVJV-INIZCTEOSA-N 323.314 2.908 0 40 DFAB COc1cc(Cl)c(CNC(=O)c2cccnc2)cc1OC 78502754 URXNJKDMFQOZIB-UHFFFAOYSA-N 306.749 2.682 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c(C)c1 78551270 QIBLXECZDWLHGT-OAHLLOKOSA-N 322.474 2.599 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1(C)C 72319290 AVCDXVMPHAFRCA-HUUCEWRRSA-N 311.389 2.839 0 40 DFAB COCCN(Cc1ccccc1)C(=O)Cc1csc(C)n1 72515998 XNRLOKDPVRBXQQ-UHFFFAOYSA-N 304.415 2.669 0 40 DFAB CC(C)(C)n1cc(CNCCN2CCc3ccccc3C2)cn1 97465546 IYJFRQGVFDJXDQ-UHFFFAOYSA-N 312.461 2.786 0 40 DFAB CSC[C@H](CCO)NC(=O)Cc1cc(Cl)ccc1Cl 95426700 JACMTYWBFGPEEJ-NSHDSACASA-N 322.257 2.766 0 40 DFAB CC[C@@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)OC)CC1 95432425 AOIJHWQFLWFUEH-HOTGVXAUSA-N 309.381 2.523 0 40 DFAB COc1cc(C)cc(OC)c1OCc1nnc(C(C)C)n1C 95462983 BZJZSOPWTQTZDV-UHFFFAOYSA-N 305.378 2.843 0 40 DFAB Cc1cc(CC(=O)NCC2(c3ccc(F)cc3Cl)CC2)n[nH]1 95451937 NOAUKFJLTTZVNA-UHFFFAOYSA-N 321.783 2.901 0 40 DFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(c1nc(C4CC4)no1)(C3)C2 95406762 RMKIGQJABQXIHZ-GKUGFIGPSA-N 301.390 2.674 0 40 DFAB CCC(=O)N1CCCN(C(=O)NC2CCCCCCC2)CC1 79567489 VAQXVLNACRZYSC-UHFFFAOYSA-N 309.454 2.753 0 40 DFAB CN(CC(=O)Oc1ccc(N2CCCC2=O)cc1)c1ccccc1 95955587 NTZRBQOIROZBFP-UHFFFAOYSA-N 324.380 2.855 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1cccs1 95953907 BJJUCKKHZDMHQD-CYBMUJFWSA-N 304.415 2.964 0 40 DFAB COc1cccc2cc([C@@H](C)NC[C@]3(O)CCSC3)oc12 95987981 KVDQWBSTQREXDE-BDJLRTHQSA-N 307.415 2.960 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 75130229 WDDSHBUFQQNSJW-AWEZNQCLSA-N 314.389 2.880 0 40 DFAB CC(C)(C)N(CCS(C)(=O)=O)Cc1cccc2cccnc12 89643059 MMOYAXXKEJOFSJ-UHFFFAOYSA-N 320.458 2.880 0 40 DFAB Cc1cc(N2CCC[C@@H]3CN(C)CC[C@@H]32)nc(-c2ccccn2)n1 89600694 RGTKXDKOQGDWKW-WBVHZDCISA-N 323.444 2.768 0 40 DFAB CCCN1CCN(C(=O)c2cc(OC)no2)c2cc(F)ccc21 189974181 OCMOPYXZBQDOMU-UHFFFAOYSA-N 319.336 2.699 0 40 DFAB Cn1ccnc1-c1cccc(NS(=O)(=O)c2cccs2)c1 78715165 WETUNHRSOBQVRR-UHFFFAOYSA-N 319.411 2.949 0 40 DFAB CN(C)CCCNC(=O)c1ccccc1OCc1ccccc1 13687461 WZAJNPMNWAFASO-UHFFFAOYSA-N 312.413 2.947 0 40 DFAB Cc1ccnc(N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203220 MXMSGUAYRQUXIU-CYBMUJFWSA-N 306.410 2.621 0 40 DFAB CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 40157357 AOTRRRWIJBINCZ-WPUBBZCQSA-N 320.477 2.870 0 40 DFAB Cn1cc(CNC[C@@H]2CCCn3cc(C(C)(C)C)nc32)cn1 89725158 SGPCZAZGYREKCR-AWEZNQCLSA-N 301.438 2.581 0 40 DFAB CC1(C)COc2ccc(C(=O)NCc3cccnc3)cc2OC1 225358642 DCVLDUCQTYRFIS-UHFFFAOYSA-N 312.369 2.809 0 40 DFAB CN(Cc1ccc(C=O)o1)S(=O)(=O)c1ccc(Cl)cc1 49467167 IBYUAZLWMDWWAB-UHFFFAOYSA-N 313.762 2.566 0 40 DFAB C[S@@](=O)Cc1cc(NCc2ccc(CO)o2)ccc1Cl 195558966 DVACQDRJEVEQPM-HXUWFJFHSA-N 313.806 2.916 0 40 DFAB COC[C@H]1CN(C)C[C@@]12CCN(Cc1cc(C)ccc1C)C2 96209624 GGODBWVYBVKKIA-RTBURBONSA-N 302.462 2.704 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)[C@H]2OCC[C@@H]2C)CC1 91954319 PXMOWOHDHSYUSS-YJBOKZPZSA-N 317.429 2.928 0 40 DFAB c1ccc(CN2CCC3(CC2)CCN(c2ccccn2)C3)nc1 96157557 WPAJHJDPDFGXBZ-UHFFFAOYSA-N 308.429 2.969 0 40 DFAB CC[C@H](C)n1nc(C(=O)N2C[C@H](CO)c3ccccc32)cc1C 331589892 MWGGKQAUKAXQBF-GXTWGEPZSA-N 313.401 2.899 0 40 DFAB Cc1cc(CNC(=O)c2c(F)cccc2Cl)nc(N(C)C)n1 96121311 QDVKRYWFQSKSHX-UHFFFAOYSA-N 322.771 2.574 0 40 DFAB Cc1cccc(OC2CCN([C@@H](C)c3nnc(C)o3)CC2)n1 96501261 WRFLYAMHQYAPNK-LBPRGKRZSA-N 302.378 2.686 0 40 DFAB c1ccc(CO[C@@H]2CO[C@@]3(CCCN(C4CCC4)C3)C2)nc1 96205935 SAEZTOYWOMFDJP-ROUUACIJSA-N 302.418 2.774 0 40 DFAB CC(=O)Nc1ccc(Br)c(OCCCC(=O)O)c1 94968038 MVPGRIANUIDLKD-UHFFFAOYSA-N 316.151 2.651 0 40 DFAB O=C(c1cccc2cc[nH]c12)N(CCCO)Cc1ccncc1 95448015 XMACQFOWNBVAGB-UHFFFAOYSA-N 309.369 2.588 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1csc(NC2CC2)n1 96116783 TUTXOLWSVVEJGU-UHFFFAOYSA-N 313.386 2.524 0 40 DFAB CC(C)CN1CCC2(CCN(Cc3ccncc3)CC2)C1=O 96046773 XNEZBSRBCYQUCN-UHFFFAOYSA-N 301.434 2.552 0 40 DFAB C[C@H]1[C@@H](C)OCCN1C(=O)c1ncoc1-c1ccc(F)cc1 97095900 KJHIIFBEZUGEPF-WDEREUQCSA-N 304.321 2.730 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc[nH]3)C2)c1 96459410 UDYLOBOTPVDIGH-GFCCVEGCSA-N 300.358 2.662 0 40 DFAB Fc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1 96053737 AWGYHIQLTUZPPL-ROUUACIJSA-N 311.404 2.785 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)ccn1 257254162 KBYSKFYYXSTAPH-AWEZNQCLSA-N 312.373 2.966 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257292104 QKAGQNPRPBEQCL-CQSZACIVSA-N 312.373 2.629 0 40 DFAB CNc1cccc(CC[C@H]2CCCCN2Cc2cnccn2)n1 257256418 KLKFCNYAAXUOSM-QGZVFWFLSA-N 311.433 2.901 0 40 DFAB COCCN(Cc1ccoc1)C(=O)[C@@H](C)Oc1ccccc1 85474261 PUCZQOQZSXTFCH-CQSZACIVSA-N 303.358 2.722 0 40 DFAB Cc1ccccc1C(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575606676 RKHUMXMOCKXIFR-ZDUSSCGKSA-N 317.776 2.732 0 40 DFAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCCn1ccnc1 57423227 GVSJFZRVLLCPJI-GFCCVEGCSA-N 322.359 2.954 0 40 DFAB CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1 69971194 QYXMSNWFESKKPF-OAHLLOKOSA-N 315.421 2.530 0 40 DFAB O=C(C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1)c1ccccc1 85482277 JJXMLWFEGNNAIX-CVEARBPZSA-N 301.386 2.677 0 40 DFAB c1ccc(CCN2CCN(c3ncnc4ccccc34)CC2)cc1 684626741 RXJXCMSKYDEGOX-UHFFFAOYSA-N 318.424 2.995 0 40 DFAB O=S(=O)(c1ccccc1N[C@@H]1CCCOCC1)C(F)F 86872190 XNGOMLZONFXHSE-SNVBAGLBSA-N 305.346 2.664 0 40 DFAB Cc1ccc(OCC(=O)NC(=S)Nc2cc(C)ccn2)cc1 5588755 HBNKCINUDVJURS-UHFFFAOYSA-N 315.398 2.590 0 40 DFAB CCN(CC)C(=O)CN1CCC(c2ccc(OC)cc2)CC1 12113915 WBLQIKHLGFRFFO-UHFFFAOYSA-N 304.434 2.743 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1 14404518 YVXUNLDLOMHODI-UHFFFAOYSA-N 302.334 2.847 0 40 DFAB CC(C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 23224641 XSNOOYTZFDPXTQ-BZUAXINKSA-N 307.434 2.659 0 40 DFAB Cc1nccn1CC1CN(C(=O)c2ccc(OC(C)C)cc2)C1 1849684641 OAHKKQZWMCKRLQ-UHFFFAOYSA-N 313.401 2.751 0 40 DFAB C[C@H]1C(=O)N(CC(=O)c2ccccc2)C(=O)N1c1ccccc1 31800919 PKHYKXUUQPJNLV-ZDUSSCGKSA-N 308.337 2.727 0 40 DFAB O=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1 4061159 NGFRUHYVSLRBAE-UHFFFAOYSA-N 315.373 2.966 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 9823285 DFTPNFGEKAUHLI-CQSZACIVSA-N 315.760 2.789 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1Cl 9820685 SPXABPFHNCVZGC-HNNXBMFYSA-N 314.772 2.658 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 2086875440 HJJLKLULENLTQN-GFCCVEGCSA-N 304.438 2.515 0 40 DFAB Cc1ccc(C(=O)C[C@@H](NCc2cccs2)C(=O)O)cc1 42764 PACRJFSRZTUOJB-CQSZACIVSA-N 303.383 2.872 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)Cc1nc(C(C)(C)C)no1 40494416 CUCXAGZZWWINSK-UHFFFAOYSA-N 317.389 2.770 0 40 DFAB NCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1 54554 BAEXLNPIARGAGN-SFHVURJKSA-N 318.380 2.581 0 40 DFAB CCCC1=NN(C(=O)c2ccc(O)cc2)[C@](O)(C(F)(F)F)C1 274695 HEASSCNKWCAKNS-CYBMUJFWSA-N 316.279 2.645 0 40 DFAB CCCn1nnc(NC(=O)c2cccc(O[C@@H](C)CC)c2)n1 569368 CEAYEEBCZHPPBI-NSHDSACASA-N 303.366 2.513 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2n1CCC2 40522705 NCWULXMPFDIXAA-QMMMGPOBSA-N 308.744 2.508 0 40 DFAB Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1Cl 7736636 KVMVAKAQCMSHGD-UHFFFAOYSA-N 302.765 2.681 0 40 DFAB CCn1c(=O)n(C[C@@H](O)c2ccc(F)cc2F)c2ccccc21 51291514 VVFMAUCRBNBEDZ-MRXNPFEDSA-N 318.323 2.835 0 40 DFAB CN(CC(=O)NCC(F)(F)F)[C@@H]1CCCc2ccccc21 32512300 RJIBZTSJFURWJA-CYBMUJFWSA-N 300.324 2.674 0 40 DFAB Cc1cc(C(N)=O)c(NS(=O)(=O)/C=C/c2ccccc2)s1 71922310 KIGJSWQEASKKND-BQYQJAHWSA-N 322.411 2.568 0 40 DFAB Cc1noc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 71903530 XLHYWBJRXDJVPY-BPTDKIDVSA-N 307.300 2.637 0 40 DFAB OCCSc1nc2ccccc2c2nc(-c3ccco3)nn12 9940003 UWYQSCNHVSJRNW-UHFFFAOYSA-N 312.354 2.622 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 7944811 YSCIWEOFRXNDCI-BQYQJAHWSA-N 307.396 2.804 0 40 DFAB Cc1cccc(C(=O)NCCCNC(=O)c2cccc(C)c2)c1 2729035 PHPMGZXEHLZMEJ-UHFFFAOYSA-N 310.397 2.853 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3ncccc3C)CC2=O)cc1 806812 ZBGGHBFMUNXLCD-CQSZACIVSA-N 309.369 2.690 0 40 DFAB COCCN(Cc1ccccc1)C(=O)c1n[nH]c2ccccc12 23597638 JSIUBAIMCVBNKE-UHFFFAOYSA-N 309.369 2.852 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H](C)Cn3ccnc3)coc2c1C 47257412 DPXWQABCIUDAFL-ZDUSSCGKSA-N 311.385 2.994 0 40 DFAB COc1c(C)cnc(CN2CCC(Cn3cccn3)CC2)c1C 105920116 ZNVRBNFJFKRINC-UHFFFAOYSA-N 314.433 2.816 0 40 DFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)O)c1nc3ccccc3nc12 100913575 BKXBPGLODGHXIS-HWPZZCPQSA-N 318.398 2.673 0 40 DFAB CCc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1 24551864 SNJKQOPUSCLIOB-UHFFFAOYSA-N 321.384 2.796 0 40 DFAB CCOC(=O)n1c(=O)n(Cc2ccc(F)cc2)c2ccccc21 1397824 PNVNYFCMCTUVJT-UHFFFAOYSA-N 314.316 2.995 0 40 DFAB Cc1nc2cc(N[C@H](C)C(=O)NCC(F)(F)F)ccc2o1 12534097 AREYTTPHVKYHHD-SSDOTTSWSA-N 301.268 2.615 0 40 DFAB Cn1cccc1[C@H]1CCCN1CC(=O)NCCc1cccs1 58068064 GUNMFLDUDLCVAY-MRXNPFEDSA-N 317.458 2.582 0 40 DFAB Fc1ccc(N2CCN(C[C@@H]3COC4(CCCC4)O3)CC2)cc1 58014208 XVEUAAGPEXFRHN-QGZVFWFLSA-N 320.408 2.633 0 40 DFAB O=C(COc1ccccc1)NCc1ccc(OCC2CC2)nc1 58186123 GAJDHPGOIFXQFJ-UHFFFAOYSA-N 312.369 2.566 0 40 DFAB CC(C)CCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1 58312487 RZJJJTXJVSUKEC-UHFFFAOYSA-N 316.445 2.726 0 40 DFAB Cc1ccc(C)n1C1CCN(CC(=O)NCc2ccco2)CC1 58365394 DXFWOCZGCOGKSR-UHFFFAOYSA-N 315.417 2.651 0 40 DFAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 12605917 HAZHVUNDUJXOTD-LBPRGKRZSA-N 324.384 2.912 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccncc3)C2)c1 81639182 IFFCRYAFSGBKCA-CQSZACIVSA-N 312.369 2.729 0 40 DFAB CC(C)CCC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 28697073 MWXDIQGCYCRCCI-UHFFFAOYSA-N 314.311 2.801 0 40 DFAB Oc1ccccc1N1CCN(c2ncnc3ccsc23)CC1 28624590 GKHQQAOJEQLJNX-UHFFFAOYSA-N 312.398 2.724 0 40 DFAB CSc1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 3360034 WNNBUVZSKBULBI-UHFFFAOYSA-N 313.386 2.715 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-n2cccc2)c(F)c1 69776979 XMJBSCVSYLYTMO-ZDUSSCGKSA-N 312.348 2.631 0 40 DFAB COc1ccccc1CC(=O)NCc1ccc(NC(C)=O)cc1 12736390 IIBKIPMJJXQDDF-UHFFFAOYSA-N 312.369 2.513 0 40 DFAB Cn1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)cn1 48242386 CXKDHFFDBNUHHR-UHFFFAOYSA-N 320.190 2.602 0 40 DFAB CCOc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1OC 48383400 CUBSMEQVCFRFMS-OLZOCXBDSA-N 319.357 2.699 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1F 12979992 GCXKDSWOFVYDLI-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCC 409192410 WZUJZHYJLZVHDF-YRNVUSSQSA-N 324.764 2.660 0 40 DFAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)[C@H]1CCOC1 49457754 SJMNOTRUPIVOMJ-VIFPVBQESA-N 309.778 2.834 0 40 DFAB O=C(CSc1nnc2ccccn12)NCC1CCCCC1 5212976 RSBIDRMGJHOERG-UHFFFAOYSA-N 304.419 2.518 0 40 DFAB COc1ccc(OCCCC(=O)NCc2ccncc2)cc1 14000153 QIKICJPJFUMHFU-UHFFFAOYSA-N 300.358 2.566 0 40 DFAB Cc1csc(N2CCN(CCOCC(F)(F)F)C[C@@H]2C)n1 69952073 VKPWTTOHEINZGZ-NSHDSACASA-N 323.384 2.541 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)no1 5475727 HFVIYSIWSNCTEJ-UHFFFAOYSA-N 314.341 2.657 0 40 DFAB COc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 5550129 IDIRREMTHZBFAP-UHFFFAOYSA-N 316.382 2.587 0 40 DFAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)NC1CCCC1 6647604 LMHZCVXJKMVFOX-JTQLQIEISA-N 318.398 2.900 0 40 DFAB O=C(O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)cc1Cl 5670240 VIFFOIVCCKKLFD-UHFFFAOYSA-N 319.531 2.891 0 40 DFAB c1ccc([C@H]2C[C@H](c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 6757004 JAGBPBVAZCOIJK-ZIAGYGMSSA-N 321.340 2.548 0 40 DFAB Cc1ccc(CC(=O)NCC[S@](=O)c2ccc(C)cc2)cc1 8781694 JAZMRNGJXPWZJO-JOCHJYFZSA-N 315.438 2.770 0 40 DFAB CCOC(=O)/C=C/COc1ccc(Br)cc1C=O 5952692 JCNHOGWWRJDWGS-ONEGZZNKSA-N 313.147 2.760 0 40 DFAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NC(C)(C)C 7191015 GTUDBMAMDWONRQ-LLVKDONJSA-N 302.374 2.638 0 40 DFAB CCOc1ccccc1N[C@H](C)C(=O)Nc1nnc(CC)s1 7467910 CKHJZKURWUKYAH-SNVBAGLBSA-N 320.418 2.938 0 40 DFAB CCn1nc(C(=O)N(C)Cc2ccccc2)c2ccccc2c1=O 9364031 KPCVCVGKOVADOY-UHFFFAOYSA-N 321.380 2.689 0 40 DFAB COc1ccc(C)cc1CN[C@H](C)c1nnc2n1CCCC2 84142408 GMYXJNNDPYAETD-CYBMUJFWSA-N 300.406 2.782 0 40 DFAB CC(C)S(=O)(=O)c1ccc(COc2ccc(CO)cc2)cc1 97081142 NUSXITGJVAAGHD-UHFFFAOYSA-N 320.410 2.940 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2CNc2nccn(C)c2=O)cc1 78678037 OFXLUIUMYRDIMP-HZPDHXFCSA-N 313.401 2.669 0 40 DFAB CCn1cc(C2CCN(Cc3nnsc3Cl)CC2)cn1 97203006 LMLYHXFCCXQZET-UHFFFAOYSA-N 311.842 2.788 0 40 DFAB O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCc2ccncc2)C1 95433959 LLCJMEVKERMJSP-PBHICJAKSA-N 304.340 2.710 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)Nc1cnc(C(C)(C)C)nc1 95403872 YFAVWEFJAQFKIW-NSHDSACASA-N 308.426 2.693 0 40 DFAB O=CNc1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2)cc1 88350538 QASACNYKZKVWFW-UHFFFAOYSA-N 324.315 2.832 0 40 DFAB CCN(Cc1ccccn1)[C@@H](C)c1nnnn1-c1ccccc1 95978768 BBWMGDLAUJGQRS-AWEZNQCLSA-N 308.389 2.640 0 40 DFAB CCC1(CC)[C@@H](NC2CCN(c3ncccn3)CC2)C[C@H]1OC 95987798 GSEKDAUJHZEXFC-JKSUJKDBSA-N 318.465 2.629 0 40 DFAB CN(C)C(=O)COc1cccc(CNc2ccncc2Cl)c1 89311997 MJEBTKQLQAXPEN-UHFFFAOYSA-N 319.792 2.814 0 40 DFAB COC(=O)c1cc(CN2CCCC[C@@H]2c2ncc[nH]2)oc1C 89536619 KVGQXMJJEQTSPR-CQSZACIVSA-N 303.362 2.825 0 40 DFAB COc1cc(CN(C)CC2CCNCC2)c(SC)cc1OC 178974865 QRBZAEVABFFVQP-UHFFFAOYSA-N 324.490 2.857 0 40 DFAB COc1ccc(CC(=O)N2CCn3cccc3[C@@H]2C)cc1OC 30797228 NJAYPNBTVUTSEI-ZDUSSCGKSA-N 314.385 2.651 0 40 DFAB Cc1c(Nc2nc(-c3cccnc3)nc3c2CCC3)cnn1C 532021741 RPSAVXPHUKZUCT-UHFFFAOYSA-N 306.373 2.813 0 40 DFAB O=C(O)CSC1CCN(C(=O)OCc2ccccc2)CC1 79392123 WVJQWDJCANLRNL-UHFFFAOYSA-N 309.387 2.605 0 40 DFAB OCCN1CCC(c2nccnc2Oc2ccccc2F)CC1 72361621 MERVHPZCJOKVKV-UHFFFAOYSA-N 317.364 2.580 0 40 DFAB O=C(NCc1cccnc1)N[C@H]1CCC[C@@H]1Oc1ccccc1 79035937 UEFFSJBKNYAQFS-IRXDYDNUSA-N 311.385 2.881 0 40 DFAB O=C(O)CN1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 79416277 MHKLBNFOYVWLEF-QGZVFWFLSA-N 302.418 2.590 0 40 DFAB COCc1cccc(S(=O)(=O)NCc2ccccc2C)c1 72240286 VBAIVKSYFCBWHP-UHFFFAOYSA-N 305.399 2.620 0 40 DFAB NC(=O)Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 46294942 ZYUCOKDKXPDTGJ-UHFFFAOYSA-N 321.336 2.622 0 40 DFAB Cc1ccc(C(=O)OC[C@H]2CCCCS2(=O)=O)c(Cl)c1 225423780 NKXQFRHSSODMKW-LLVKDONJSA-N 316.806 2.773 0 40 DFAB O=C(C[C@@H]1CCCCO1)N1C[C@H]2CCCN2Cc2ccccc21 87173754 FXJGTPXAUKQLKC-SJORKVTESA-N 314.429 2.957 0 40 DFAB COc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2)c1 224598504 PZYOFFWIIMVVKX-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB CCOCCCNC(=O)COc1cccc(C(F)(F)F)c1 41103601 SQFZFPPOAHUXDW-UHFFFAOYSA-N 305.296 2.627 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 45952637 DLBMTQIHURDHDT-MRVPVSSYSA-N 302.157 2.909 0 40 DFAB c1ccc(C[C@H]2CN3CCC[C@H]3CN2Cc2ccncc2)cc1 43568710 HPZCSLQJTHZCDK-PMACEKPBSA-N 307.441 2.973 0 40 DFAB CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 190439406 OIDCGZBNOLZOPY-ZBEGNZNMSA-N 312.360 2.972 0 40 DFAB C[C@](C(=O)N1CCc2cnccc21)(c1ccccc1)N1CCCC1 195567855 AUXCIDDIEXZEQF-HXUWFJFHSA-N 321.424 2.982 0 40 DFAB CC(C)CC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 96227700 YBYIQVMQAPNOBC-YOEHRIQHSA-N 320.458 2.649 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(C)cc1 96521387 CKGNWMHTDPLLCM-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB FC(F)(F)c1ccnc(N[C@@H]2CCO[C@@]3(CCSC3)C2)n1 96481058 VAALUCCTWVRSSR-SKDRFNHKSA-N 319.352 2.962 0 40 DFAB COCc1cc(C(=O)NCCSc2ccc(C)c(C)c2)no1 96430484 WQMUMHDQYCRJNA-UHFFFAOYSA-N 320.414 2.960 0 40 DFAB COc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1 96099780 XYLLTYICHIEJOW-UHFFFAOYSA-N 317.414 2.551 0 40 DFAB O=C(CCn1cncn1)Nc1ccc(OC2CCCC2)c(F)c1 96426874 YRPWIKOYRURHFY-UHFFFAOYSA-N 318.352 2.767 0 40 DFAB CCOC[C@@H]1CCC2(CCN(Cc3nc(C)cs3)CC2)N1C 96208157 VOOJAVUONXHKNA-HNNXBMFYSA-N 323.506 2.917 0 40 DFAB O=C(Nc1ccc(O)cc1)Nc1ccn(CC(F)(F)F)n1 97104813 XBIBJJFEAPANTI-UHFFFAOYSA-N 300.240 2.795 0 40 DFAB COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(C)nn3)C2)cc1F 582652330 BINHEAUWVVPVOW-JOCQHMNTSA-N 315.348 2.609 0 40 DFAB O=C(O)c1csc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 579967309 CHDRLWZVLZCBKZ-ZDUSSCGKSA-N 322.361 2.554 0 40 DFAB Cc1nn2cccnc2c1C(=O)NCCc1cc2ccccc2o1 96417071 XPRXPJRLHZZQMG-UHFFFAOYSA-N 320.352 2.756 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CCc2c(F)cccc21 96134062 LNHRNOIRCPGDIF-DCGLDWPTSA-N 321.392 2.903 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NCCSCC(C)(C)O)c1 97228429 PUROFNKDCQIIHU-GFCCVEGCSA-N 310.463 2.800 0 40 DFAB CCN1CCOC[C@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 257254179 KCAWDDUWPMCWIG-MRXNPFEDSA-N 300.402 2.812 0 40 DFAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cscn2)nc1 257230797 GDYNOEGICPFDJF-INIZCTEOSA-N 316.430 2.511 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cnccn2)C1 257306612 SVALVMATKDQDTR-GFCCVEGCSA-N 315.348 2.644 0 40 DFAB O=S(=O)(c1cccs1)N1CCC[C@H](Cc2cccnc2)C1 257268882 MNQNSVWAOMSRCR-CQSZACIVSA-N 322.455 2.787 0 40 DFAB O=C(OCC1[C@@H]2C=CC=C[C@@H]2[C@H]2C=CC=C[C@@H]12)N1CC[C@H](O)C1 299888572 OVXDXVYMAORQCD-MZBWOGCUSA-N 313.397 2.536 0 40 DFAB Cc1oncc1CNC(=O)c1cccc(OC(F)(F)F)c1 575605123 MHTMSABDIKXXDA-UHFFFAOYSA-N 300.236 2.812 0 40 DFAB O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2[nH]nnc2c1 50766738 VJOLSNHNPJUIDI-UHFFFAOYSA-N 323.331 2.551 0 40 DFAB CSc1ncc2cc3n(c2n1)C1(CCCCC1)CNC3=O 1592055846 MORDOLIVMBQSKA-UHFFFAOYSA-N 302.403 2.556 0 40 DFAB CCc1nc(NC(=O)Cc2ccc(C)o2)sc1C(=O)OC 89282655 SIMXKVSSHHWMBI-UHFFFAOYSA-N 308.359 2.575 0 40 DFAB CC1([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)OCCO1 97372383 KXZWIUXSAKSEFM-CYBMUJFWSA-N 309.793 2.955 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)c3coc(CO)c3)cc2)c1C 1556824394 FKXOQCHUFOVVCG-UHFFFAOYSA-N 311.341 2.827 0 40 DFAB CCCC(=O)[C@]1(C)OC(=O)[C@@]2(C)[C@@H]1C=C[C@@H]1[C@@H](O)[C@@H](C)CC[C@H]12 1772591710 LVVOMYFTQJSYEN-JYDCUQBISA-N 320.429 2.887 0 40 DFAB CCCCCCNC(=O)NCCNC(=O)NCCCCCC 5297605 KRPXPVNDBKLWHB-UHFFFAOYSA-N 314.474 2.745 0 40 DFAB Cc1ccc(C)c(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)c1 16946391 KSIMQQYGOUSFSS-UHFFFAOYSA-N 312.369 2.828 0 40 DFAB O=C(c1cnco1)N1CCC[C@H](Cc2cnc3[nH]ccc3c2)C1 607853199 KKTOYTRNDRDDLH-GFCCVEGCSA-N 310.357 2.646 0 40 DFAB Cc1cc(C)n2nc(C(=O)OCc3cccc(Cl)c3)nc2n1 5021404 QWXJRCXYCQEMMG-UHFFFAOYSA-N 316.748 2.752 0 40 DFAB O=C(O)C[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1 13224865 KKHRBEVRQYAQQY-HNNXBMFYSA-N 317.316 2.537 0 40 DFAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC1Cc2ccccc2C1 1775964180 VQBBVQMSDJQTTN-YGHPHNMRSA-N 324.468 2.779 0 40 DFAB biogenic,in-vitro COc1ccc(CCN(C)c2ncc(Br)cn2)cc1 2086992643 ACDMONSJZAJGTF-UHFFFAOYSA-N 322.206 2.927 0 40 DFAB CC(C)(C)C(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775973754 NWQUGQXIAKALBO-UHFFFAOYSA-N 302.296 2.736 0 40 DFAB COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(OC)ccc21 100873171 NCWXVOHTKYNXRT-ICFOKQHNSA-N 322.430 2.831 0 40 DFAB O=C(/C=C/c1cccs1)NCc1cn(-c2cccs2)nn1 575615634 FWDRNUOYQKQUTC-AATRIKPKSA-N 316.411 2.720 0 40 DFAB CC(C)c1noc([C@H](C)N2CCN(Cc3ccco3)CC2)n1 40496534 SYXOFQNXWDPWEA-ZDUSSCGKSA-N 304.394 2.665 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)NCc1ccc2c(c1)OCO2 30992963 BTCHUOMKEALAHY-LBPRGKRZSA-N 313.357 2.503 0 40 DFAB O=C(NCCCOC[C@H]1CCCO1)c1ccc(Cl)s1 40487766 UNUCCOLENAHTIR-SNVBAGLBSA-N 303.811 2.717 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 299649 GTDMBEAHNRSVAI-AWEZNQCLSA-N 304.434 2.822 0 40 DFAB CN(Cc1ccccc1)C(=O)Cc1csc(-c2ncccn2)n1 40554112 QLAOTNCFWICPPW-UHFFFAOYSA-N 324.409 2.801 0 40 DFAB O=C(CN1CCCc2ccccc21)Nc1ccc2c(c1)OCO2 2625676 KBKIQSPJFJVXNE-UHFFFAOYSA-N 310.353 2.807 0 40 DFAB N[C@H](Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)O 4329256 IVYPAKPAYLXGJG-MRVPVSSYSA-N 301.186 2.679 0 40 DFAB CC[C@H](Oc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1 8848295 NBKURSSLWAFSHI-AWEZNQCLSA-N 317.345 2.738 0 40 DFAB O=C1C[C@H](NCc2cccc(Cl)c2)C(=O)N1c1ccccc1 100580945 DNIXBPXKVLPAIR-HNNXBMFYSA-N 314.772 2.762 0 40 DFAB Nc1nc(Cl)cc(N2CCC(Nc3ccc(F)cc3)CC2)n1 57140013 LHKLGICMWSZRJX-UHFFFAOYSA-N 321.787 2.932 0 40 DFAB CCNC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 28231489 QCXZUILCRFTIBT-UHFFFAOYSA-N 314.172 2.976 0 40 DFAB Cc1ccccc1[C@H]1[C@@H](C(=O)O)CC(=O)N1CCc1ccccn1 69654115 JQSPNIRIIBLPRH-WMZOPIPTSA-N 324.380 2.607 0 40 DFAB CCN(CC(=O)NCc1cccnc1)Cc1ccc(Cl)cc1 69658228 OTLHTUPESJJVHF-UHFFFAOYSA-N 317.820 2.873 0 40 DFAB CCCc1cc(=O)[nH]c(SCCOC(=O)c2ccccc2)n1 8580294 XIDSTGJNGSXUGN-UHFFFAOYSA-N 318.398 2.672 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H](C)C3)C(=O)[C@@H]2C)cc1 104744587 KSDDCELLFKCJSS-CABCVRRESA-N 315.417 2.842 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)n1 24993474 GTAOZQFHDDYQEO-MRXNPFEDSA-N 309.369 2.633 0 40 DFAB COc1c(CN[C@@H]2CCCOc3ccccc32)c(C)nn1C 58342014 IDNLZWCPYXQCET-OAHLLOKOSA-N 301.390 2.741 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-n2cncn2)cc1 107313375 FKANKIDCSVDYGD-JYJNAYRXSA-N 310.401 2.710 0 40 DFAB O=C(Nc1ccccc1O)c1cccnc1OCC(F)(F)F 24661997 QGWMKXQHQXYFLY-UHFFFAOYSA-N 312.247 2.981 0 40 DFAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N(C)C)cc1 10017825 NENYIWNUXIPTLE-SFHVURJKSA-N 312.413 2.793 0 40 DFAB COc1ccc(C(=O)[C@H](C)Sc2nncs2)cc1OC 58209650 FDBGKGNCOWBZIQ-QMMMGPOBSA-N 310.400 2.919 0 40 DFAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccc2c(c1)OCO2 58202818 RHVOTUSYRXWKHL-UHFFFAOYSA-N 321.336 2.735 0 40 DFAB COC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 58420689 BTURZFACUGAGPJ-UHFFFAOYSA-N 302.330 2.614 0 40 DFAB CCc1cc(C(N)=O)c(NC(=O)c2cccc(F)c2F)s1 27928125 FFZYHMFYWSNYPY-UHFFFAOYSA-N 310.325 2.940 0 40 DFAB CN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccnc1 11035949 MAAPYIHOOAKREP-INIZCTEOSA-N 305.341 2.668 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 3323239 AZWJDDQDXOKYQI-UHFFFAOYSA-N 324.336 2.794 0 40 DFAB CCCCc1nnc(NC(=O)c2ccc(OC)cc2O)s1 12736197 XVOGJIXHCIEBSA-UHFFFAOYSA-N 307.375 2.847 0 40 DFAB Cc1cc(NC(=O)CN(Cc2ccccc2F)C2CC2)on1 48236409 OLSADXMJHUMIBY-UHFFFAOYSA-N 303.337 2.725 0 40 DFAB O=C1NCCCC[C@H]1NCc1csc(-c2ccc(F)cc2)n1 48314310 UZTGUUAVYVOYPK-CQSZACIVSA-N 319.405 2.708 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 3466226 XBTXYMGNSCBVMG-UHFFFAOYSA-N 310.762 2.900 0 40 DFAB CC(C)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 13063215 PQMBYQURYJYHEU-UHFFFAOYSA-N 318.398 2.710 0 40 DFAB COc1ccc2oc(=N)c(C(=O)NCc3ccccc3)cc2c1 3897179 OUEWFLQNABACDL-UHFFFAOYSA-N 308.337 2.851 0 40 DFAB biogenic CN(C)C(=O)Cc1ccc(NC(=O)NCc2cccs2)cc1 38709741 XYJXHKGQFCEQIX-UHFFFAOYSA-N 317.414 2.701 0 40 DFAB COc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)[nH]2)cc1 8116504 PXMUOORLJFOSKM-UHFFFAOYSA-N 312.304 2.872 0 40 DFAB Cc1nn(C)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(O)=N2 49546842 WAJDGPBBCIDNDR-CQSZACIVSA-N 317.370 2.881 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@@H](c2c[nH]c3ccccc23)N1 65166679 LOLKXGYKPBOFBT-HNNXBMFYSA-N 302.341 2.614 0 40 DFAB COCCN(CCOC)C(=O)c1cc2c(s1)CC[C@@H](C)C2 39975845 GSBFZIOZVJDAPX-GFCCVEGCSA-N 311.447 2.608 0 40 DFAB C[C@H](OCc1ccccc1)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C 8239909 DMYNYZJGZSJUGU-GXTWGEPZSA-N 323.389 2.912 0 40 DFAB biogenic CN1C(=O)S[C@H](Nc2ccc(OC(F)(F)F)cc2)C1=O 4450726 VHIMYRAWKPWZEO-QMMMGPOBSA-N 306.265 2.648 0 40 DFAB Cc1noc([C@@H](C)N2CCN([C@@H](C)c3cccc(F)c3)CC2)n1 69376299 FHJDPOGJIBPMOZ-QWHCGFSZSA-N 318.396 2.957 0 40 DFAB COCCCN1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 65624621 KAONICCFFASCPM-UHFFFAOYSA-N 318.461 2.581 0 40 DFAB CN(Cc1cccs1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 69418756 NNTCRQUDQGIONU-UHFFFAOYSA-N 317.418 2.573 0 40 DFAB CCCC(=O)NCc1cc(Br)c(OC)c(OC)c1 69452246 LCBJZLCUVLOGNQ-UHFFFAOYSA-N 316.195 2.883 0 40 DFAB Cc1ccc(/C=C/C(=O)OCC(=O)NCc2cccs2)o1 4935207 RHMDHKYGSKAUPF-VOTSOKGWSA-N 305.355 2.522 0 40 DFAB COC(=O)c1ccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)cc1 9049915 HKEQRVRDWNGXND-RVDMUPIBSA-N 321.332 2.820 0 40 DFAB CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc(F)cc2)no1 96000959 VVDSCEMCSHMVTC-ZDUSSCGKSA-N 319.336 2.546 0 40 DFAB Cc1cc(CC(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)n[nH]1 89989117 BOUYKHIPBHWVSQ-UHFFFAOYSA-N 309.373 2.663 0 40 DFAB O=C(Nc1nc(Sc2ccccc2)ns1)c1cnccn1 71890919 MSGWEIRPRSGTTK-UHFFFAOYSA-N 315.383 2.732 0 40 DFAB CC(C)c1nc(CSc2nnc(Cn3cncn3)o2)cs1 71853935 HLUNBNGDFUGKEK-UHFFFAOYSA-N 322.419 2.582 0 40 DFAB Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](n4cncn4)C3)CC2)c1 72234926 XTHXTLXDZBUOFZ-QGZVFWFLSA-N 324.428 2.790 0 40 DFAB COc1c(C)cnc(CN2CCC[C@@H]2c2cnn(C)c2)c1C 72255170 KCCGWUQOUFNHFT-MRXNPFEDSA-N 300.406 2.778 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCC1=CCCCC1 97098374 QXUBUZTYJQGMCW-UHFFFAOYSA-N 317.433 2.996 0 40 DFAB CC1(C)C[C@H](NCc2nc(-c3cccnc3)no2)C(C)(C)O1 97100372 ZZDHZJPSWDDKGQ-LBPRGKRZSA-N 302.378 2.567 0 40 DFAB CSc1cncc(N2CC[C@@H](CNc3cccc(C)n3)C2)n1 97162944 UJPVIIVNKLREKB-ZDUSSCGKSA-N 315.446 2.840 0 40 DFAB Cc1cc(C)nc(NC(=O)N(C)Cc2nccn2C(F)F)c1 97142863 JTCOYRLKTICLED-UHFFFAOYSA-N 309.320 2.954 0 40 DFAB COc1cc([C@@H](C)NC(=O)N2CC[C@H](C)C2)cc(OC)c1OC 75582249 ACTVDVBYTOXJEX-NWDGAFQWSA-N 322.405 2.825 0 40 DFAB C[C@H](O)C1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 84636624 ARXDGHDVWCPXTL-LRDDRELGSA-N 322.836 2.538 0 40 DFAB Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCCSC3)CCO2)o1 95438132 UBEIAMMYVADCLR-JSGCOSHPSA-N 310.419 2.567 0 40 DFAB CCC(CC)[C@H](NC(=O)NC[C@@H]1CCC(=O)N1)c1ccccc1 95412372 VWMFAIMSUPUTIM-RDJZCZTQSA-N 317.433 2.742 0 40 DFAB CCCS(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 98014180 PGADOZZISPJKJF-HOTGVXAUSA-N 311.447 2.792 0 40 DFAB CC(=O)c1c(F)cccc1N[C@@H]1CCCN(c2cnn(C)c2)C1 78367942 XOYPVGROHPGYTG-CYBMUJFWSA-N 316.380 2.843 0 40 DFAB CO[C@H](CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)C(C)(C)C 95984041 VIHFPXIFZILRBJ-UONOGXRCSA-N 322.453 2.934 0 40 DFAB FC(F)(F)c1ccc(Cl)c(CNCCc2nc[nH]n2)c1 95973542 FAFQOUWZYNXYPT-UHFFFAOYSA-N 304.703 2.809 0 40 DFAB COc1cccc([C@@H]2CCCN2CC(=O)NC2CCCC2)c1 9902936 CJPJDRBXBGWYJS-KRWDZBQOSA-N 302.418 2.891 0 40 DFAB CCSCC[C@H](C)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 74912038 WFTMWEUJOLYJHZ-STQMWFEESA-N 310.467 2.830 0 40 DFAB CCONC(=O)c1ccc(Sc2ccccc2Cl)nn1 78875656 PVSPHMDFABZOBO-UHFFFAOYSA-N 309.778 2.963 0 40 DFAB O=C(CCn1ccccc1=O)N1CCC2(CCCCCC2)C1 75105935 ZXHRQPUWOYRIDW-UHFFFAOYSA-N 302.418 2.811 0 40 DFAB CCOC(=O)CN(C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 79102203 NAOCTWZIRXXYKX-CYBMUJFWSA-N 317.389 2.909 0 40 DFAB COc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 33809414 KVSXXAMTXUNUGA-UHFFFAOYSA-N 323.348 2.774 0 40 DFAB O=C(O)c1ccccc1C(=O)Nc1ccc(Br)cn1 39383489 ODSXLWIPMFZDNY-UHFFFAOYSA-N 321.130 2.795 0 40 DFAB O=S(=O)(NC1CC1)c1cccc(COc2ccccc2)c1 72264763 HJTOQSVXGMVELA-UHFFFAOYSA-N 303.383 2.706 0 40 DFAB CCOc1cccc(NC(=O)CSc2cc(C)ncn2)c1 76555301 WMGFYUHNWWBJOS-UHFFFAOYSA-N 303.387 2.915 0 40 DFAB CNC(=O)CNC(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 185502304 KZZYWZSATZTCJV-SNVBAGLBSA-N 319.792 2.599 0 40 DFAB CCCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1 33451445 HFUWYERFAOQTTG-JCVNQNCUSA-N 305.374 2.714 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2nc(C)no2)cc1 74951201 SWOINWZDMDFQGK-GDBMZVCRSA-N 316.357 2.898 0 40 DFAB FC(F)(F)C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 608094103 CSGXYBLYLDVYRH-UHFFFAOYSA-N 311.311 2.780 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)Cc1cnc(N(C)C)s1 195547852 ZVFWIAZFMAGRGV-UHFFFAOYSA-N 305.403 2.570 0 40 DFAB O[C@H](COCc1ccc(Cl)cc1)CSc1nncs1 61730185 QBGNRIAFBBUHGY-LLVKDONJSA-N 316.835 2.861 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3c[nH]c4ccccc34)C2)nn1 225424355 PMYXWILIORVFIP-ZDUSSCGKSA-N 322.368 2.560 0 40 DFAB Cc1cnc(CNC(=O)C(C)(C)COCc2ccccc2)o1 225735224 WGQWWLHQDJNMEA-UHFFFAOYSA-N 302.374 2.842 0 40 DFAB Cc1ccc(N2C(=O)C(=O)N(CCCCCF)C2=O)c(C)c1 225439628 AUHICFKZIDYMJL-UHFFFAOYSA-N 306.337 2.738 0 40 DFAB Cc1cccc(CN2C[C@@H]3CN(Cc4ccco4)C[C@@H]3C2=O)c1 96053702 LWUJIODMJLIVRC-WMZOPIPTSA-N 310.397 2.678 0 40 DFAB O=C(N[C@@H]1CCO[C@]2(CCN(CC3CC3)C2)C1)c1ccsc1 96205961 TXWFDHGTHUTNDX-NVXWUHKLSA-N 320.458 2.511 0 40 DFAB O=S(=O)(NC[C@H]1CCC[C@H](O)C1)c1ccc2ccccc2c1 96483542 VXFAFRHFPLNGQM-BBRMVZONSA-N 319.426 2.669 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)[C@@H]2OCC[C@@H]2C)CC1 91954320 PXMOWOHDHSYUSS-MAUKXSAKSA-N 317.429 2.928 0 40 DFAB O=C(Nc1cnn(-c2ccccc2)c1)N1CCO[C@@H]2CCC[C@H]21 96421999 HVMWHSZUNQORMX-HZPDHXFCSA-N 312.373 2.658 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N[C@H](CCO)C1CC1)C1CC1 95401096 HSVWFAYCGOHOHK-SJORKVTESA-N 302.418 2.906 0 40 DFAB Cc1noc(-c2csc(C(=O)NC3CCCCCC3)n2)n1 62007387 AFHHDZBFXUIUGU-UHFFFAOYSA-N 306.391 2.954 0 40 DFAB COc1cc(CN(C)C[C@H]2CCC[C@H]2O)cc(Cl)c1OC 245339070 QGXGUKNRGAGCGS-TZMCWYRMSA-N 313.825 2.950 0 40 DFAB C[C@H](CN(C)S(=O)(=O)CC[C@H]1CCCO1)c1ccccc1 245338821 OSDCDJZNWLSPSJ-GDBMZVCRSA-N 311.447 2.621 0 40 DFAB C[C@H](N[C@H](Cc1ccccc1)C(N)=O)c1ccc(F)cc1F 347648077 GMMOQHWFLYTVOP-MEDUHNTESA-N 304.340 2.712 0 40 DFAB CO[C@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@@]12CCCO2 257305521 SQKISZIHFPICQG-ROUUACIJSA-N 300.402 2.938 0 40 DFAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)/C=C/c1ccccc1 257309820 UCMXZPPNSAUFSX-JGJWRRPTSA-N 312.413 2.702 0 40 DFAB COCCN1CCC(c2cccc(-c3cc(C)n[nH]3)n2)CC1 257259174 KXEWDOYDPWZRFN-UHFFFAOYSA-N 300.406 2.606 0 40 DFAB CC(=O)N1CCC[C@H]1c1nccnc1-c1cccc(C(=O)O)c1 257260964 LFFQKEXXPMOUBI-AWEZNQCLSA-N 311.341 2.525 0 40 DFAB CCn1cc(-c2noc([C@H](C)NC(=O)OC(C)(C)C)n2)cn1 575410732 DERUNUGKOXKRCD-VIFPVBQESA-N 307.354 2.539 0 40 DFAB C[C@@H]1C[C@@H](C)N(C(=O)c2nn(-c3cccc(F)c3)cc2O)C1 581674221 WDVQJVWZTBDKAD-GHMZBOCLSA-N 303.337 2.588 0 40 DFAB O=C(N[C@@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1ccsc1 585110234 GCUWIIWPWWFQHC-ARFHVFGLSA-N 313.426 2.536 0 40 DFAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC[C@](C)(C(N)=O)C2)CC1 585283460 ONNCCPLDSCQYGG-JCGIZDLHSA-N 310.482 2.541 0 40 DFAB CCN(C(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 48355773 JEHDUEVTRLVVSL-UHFFFAOYSA-N 324.380 2.855 0 40 DFAB CC(C)NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 55340213 OUEIXRBSJZDNKV-UHFFFAOYSA-N 312.373 2.542 0 40 DFAB O=C(Nc1cccnc1-n1cncn1)c1cc(Cl)ccc1F 58107754 HETMNJTVNFPFSW-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)c(C)c1)C2 71185563 IHNLZFZTBBVUGL-HZPDHXFCSA-N 324.428 2.603 0 40 DFAB COCCN1CC[C@@H](CNCc2cc(Cl)ccc2F)C1 95435686 IOCMCKQOPFXLGC-LBPRGKRZSA-N 300.805 2.537 0 40 DFAB CCCn1cc(N[C@@H](C)CS(=O)(=O)c2ccccc2)cn1 95939151 MTBBEJAMPSHXJE-ZDUSSCGKSA-N 307.419 2.567 0 40 DFAB CNC(=O)CCN(C)Cc1ccc(Cl)cc1Br 79305646 VPOTUBXLKZWSLM-UHFFFAOYSA-N 319.630 2.670 0 40 DFAB Cc1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)nn1 663337703 OYRHIAIOGJCOOL-UHFFFAOYSA-N 320.799 2.900 0 40 DFAB Cc1nnc(SCC(=O)Nc2cccnc2Cl)s1 5053895 ACQHYBAIFLULKF-UHFFFAOYSA-N 300.796 2.626 0 40 DFAB Cc1cc(-c2nnc(S)n2CC(C)C)c2c(C)nn(C)c2n1 12394391 WHAFSPGTTINFTE-UHFFFAOYSA-N 316.434 2.788 0 40 DFAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]2C1 18241365 UPYLROKHLZJDBD-INTQDDNPSA-N 321.760 2.964 0 40 DFAB CCN(CC)CCNCc1cc2c(C)ccc(C)c2[nH]c1=O 19823958 JWEMFZMWCBTAOK-UHFFFAOYSA-N 301.434 2.576 0 40 DFAB O=C(Nc1ccccc1Cl)N[C@@H]1CCN(C2CCOCC2)C1 1888853412 VVQDLMAHCBZWBM-GFCCVEGCSA-N 323.824 2.715 0 40 DFAB COc1ccc(OC)c(Nc2ncnc3c2ncn3C2CC2)c1 1888913448 KCGGJPPFZFAYCU-UHFFFAOYSA-N 311.345 2.922 0 40 DFAB Cc1nc2cc(NC(=O)c3ccc4nccn4n3)ccc2s1 1889217630 ADAOIRVTELVWKE-UHFFFAOYSA-N 309.354 2.900 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 23640192 QZKVNTGWCYSYOL-AWEZNQCLSA-N 323.190 2.670 0 40 DFAB Cc1cc2c(N3CCC[C@H](COc4ccncc4)C3)nccn2n1 1776001859 OLQKDYSNIVDKTN-HNNXBMFYSA-N 323.400 2.728 0 40 DFAB CC(C)N1C(=O)OC[C@H]2CCN(C(=O)CC3CCC3)CC[C@@H]21 2037984014 NIJJYGQGNJDXFZ-CABCVRRESA-N 308.422 2.644 0 40 DFAB O=C(O)[C@](O)(c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F 3619065 LCPXMAUXGJHWPZ-MRVPVSSYSA-N 305.035 2.534 0 40 DFAB CN(C)CCN(C(=O)CCCc1ccccc1)C1CCOCC1 206665312 UJLIIOGCUGDJOX-UHFFFAOYSA-N 318.461 2.579 0 40 DFAB O=C(NC1CCN(c2nc3ccc(F)cc3s2)CC1)C1CC1 641283968 IFJZZQRHKIVAFC-UHFFFAOYSA-N 319.405 2.930 0 40 DFAB COc1cc(-c2nc3ccccc3c(=O)o2)ccc1OC(C)=O 99299 JYFLUQOAUKCXKT-UHFFFAOYSA-N 311.293 2.789 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(O)c1 31285293 WRQNMTYCLXJJGB-UHFFFAOYSA-N 311.385 2.626 0 40 DFAB CS(=O)(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 40497085 IRCGGEKUZMMKGM-UHFFFAOYSA-N 318.276 2.691 0 40 DFAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 299977 RWUSCDMHXVIVDU-LJQANCHMSA-N 309.365 2.902 0 40 DFAB Cc1ccc(NC(=O)CCC(=O)[C@H]2CC(=O)CCC2=O)cc1C 408420 LQXRUCLQFCCPQP-HNNXBMFYSA-N 315.369 2.530 0 40 DFAB Cc1ccc2nc(CSc3ncnc4c3cnn4C)cn2c1 11494737 RMRPRKGAVBFLRZ-UHFFFAOYSA-N 310.386 2.612 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCc3ccccc3)C2)n1 4967735 IKXSFTPEZJOPOH-KRWDZBQOSA-N 324.428 2.626 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)N1CCCc2ccccc21 20982998 GNSZAJCOSOMION-SNVBAGLBSA-N 305.428 2.998 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)CSCC(=O)OC(C)C)c1C 71922044 ISCSHGZHKQDOET-UHFFFAOYSA-N 311.403 2.702 0 40 DFAB O=C(CCCNC(=O)c1ccco1)Nc1cccc2cccnc12 21552254 QPGFKEBPFJZVHZ-UHFFFAOYSA-N 323.352 2.977 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 9232185 RLGZJAPUWCLEKB-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1ccccc1 9232590 SJHQBKGJWNZMLF-LBPRGKRZSA-N 300.333 2.684 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2)C[C@H](C)O1 32921046 UHSDXSFWFXNHON-ISEXYEMMSA-N 316.445 2.704 0 40 DFAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccccc1 102739316 SKURYGPOQFMDFY-YUTCNCBUSA-N 318.369 2.636 0 40 DFAB CCc1ccc2nc(O)c(-c3noc(CCC(=O)O)n3)cc2c1 22119582 ULYHFJIZAVYVAV-UHFFFAOYSA-N 313.313 2.570 0 40 DFAB CC1(C)NC(=O)N(CCCN2CCC[C@@H]2c2ccsc2)C1=O 52804260 WTIGRINEYXYGNW-CYBMUJFWSA-N 321.446 2.606 0 40 DFAB Cc1cccc(OCC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 47416264 CZKDPFPYNFLCDT-IAGOWNOFSA-N 318.461 2.858 0 40 DFAB CCOC(=O)[C@H](C)Nc1cccc(Cn2nc(C)cc2C)c1 71908387 KLFQPKMUAMNFSB-AWEZNQCLSA-N 301.390 2.912 0 40 DFAB Cc1cc([C@H](NS(=O)(=O)[C@H]2CCOC2)C(C)C)c(C)s1 71911228 SELFJNIMFSVHTC-GXTWGEPZSA-N 317.476 2.770 0 40 DFAB CS(=O)(=O)Nc1ccc(Nc2cnc3ccccc3n2)cc1 54057533 RZRPUEMSSFLZSO-UHFFFAOYSA-N 314.370 2.745 0 40 DFAB C[C@@H](Cn1cccn1)Nc1nn2cc(C(C)(C)C)nc2s1 54058637 KAKWMWGOIYWSQI-JTQLQIEISA-N 304.423 2.785 0 40 DFAB C1=C[C@H]2C[C@H]1CC21COC2(OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)OC1 103548499 VGFOQSFPTGPPBK-DSTJLGBYSA-N 316.397 2.856 0 40 DFAB Cn1cc(Nc2cccc(NC(=O)c3ccncc3F)c2)cn1 89756572 VFRZGRRFEHONMI-UHFFFAOYSA-N 311.320 2.950 0 40 DFAB O=[S@](CCn1cccn1)Cc1csc(Br)c1 89885034 GXXMIALQGDAOLS-INIZCTEOSA-N 319.249 2.656 0 40 DFAB CCN(Cc1ccc(OC)c(F)c1)c1cc(C)nc2ncnn12 24585438 ZSMGEOPNPIKJCD-UHFFFAOYSA-N 315.352 2.607 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@@H]2c2cc(C)no2)cs1 55259063 DVFKLPVESFCQIP-GFCCVEGCSA-N 305.403 2.908 0 40 DFAB COC(=O)c1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106521430 QOUCFMPQYSYGES-CWRNSKLLSA-N 301.386 2.916 0 40 DFAB COc1ccccc1[C@H](NC(=O)C1CCCC1)c1noc(C)n1 70981901 CMGKDPAPZYPVPT-HNNXBMFYSA-N 315.373 2.782 0 40 DFAB CCOc1c(Br)cnn(-c2ccc(F)cc2)c1=O 1401958 RUPGSRWNTAXMIL-UHFFFAOYSA-N 313.126 2.533 0 40 DFAB CCOc1ccc2nc(NC(=S)NC(=O)CC)sc2c1 1413792 VMJMCCJPRZWRRP-UHFFFAOYSA-N 309.416 2.918 0 40 DFAB C[C@H](NC(=O)N1CCOCC1)c1nc(-c2ccccc2)cs1 107325233 CJKZHXCTIAEGAP-LBPRGKRZSA-N 317.414 2.913 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1O 12651476 WLXXKRVNQWXWSH-UXIGCNINSA-N 319.401 2.798 0 40 DFAB Cn1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1=O 44977382 OZTJAUGDTMTLAT-HNNXBMFYSA-N 323.396 2.906 0 40 DFAB CCOc1ccc(C(C)C)cc1S(=O)(=O)n1ccc(C)n1 16780763 WGPGHVOQGXJMKE-UHFFFAOYSA-N 308.403 2.951 0 40 DFAB Cc1nc(CSCC(=O)Nc2ccc3oc(C)nc3c2)no1 48260579 AUOZWUYQGDZADP-UHFFFAOYSA-N 318.358 2.700 0 40 DFAB CCc1nnsc1C(=O)NCc1nc2ccccc2s1 48301052 CDDVLJNJKMFWLP-UHFFFAOYSA-N 304.400 2.640 0 40 DFAB O=C(CCn1cnc2sccc2c1=O)Nc1cccc(F)c1 12947260 QXADVZWAWFQZJZ-UHFFFAOYSA-N 317.345 2.626 0 40 DFAB c1ccc(-c2nc(CN3CCC[C@H]3Cn3cccn3)no2)cc1 70037114 TZBMKMUCOKLHNM-HNNXBMFYSA-N 309.373 2.598 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)c1 70036479 QJBAJEBEVSQAKL-QGZVFWFLSA-N 323.396 2.659 0 40 DFAB O=C(O)C1CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 13167518 NODGOHYLPYEQSA-UHFFFAOYSA-N 319.376 2.961 0 40 DFAB O=C(O)c1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 13362931 ZVQKRKAEKUZYDO-UHFFFAOYSA-N 317.728 2.964 0 40 DFAB CCCCOc1ccc(NC(=O)N[C@H](C)C(=O)NCC)c(C)c1 69415523 WJCVLYLZCMELEI-CYBMUJFWSA-N 321.421 2.820 0 40 DFAB Cc1cc(C)cc(OCCC(=O)N[C@@H](C)c2nc(C)no2)c1 65606943 ZCGMMWQVIZNWPR-LBPRGKRZSA-N 303.362 2.641 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1F 14242019 OIYOOSVQBYAVSF-LBPRGKRZSA-N 315.348 2.652 0 40 DFAB COC(=O)CCN(Cc1nc(-c2cccs2)no1)C(C)C 69951865 CTKFLPMHIICIBT-UHFFFAOYSA-N 309.391 2.572 0 40 DFAB COC(=O)c1cccc(C(=O)N(C2CCCCC2)C2CC2)n1 66320943 WWFHIKGIGJIEHI-UHFFFAOYSA-N 302.374 2.806 0 40 DFAB Cc1nc(SCC(=O)NC2CCCCC2)nc2c1CCC2 408547182 TYPSNTDEIAUJSI-UHFFFAOYSA-N 305.447 2.815 0 40 DFAB COc1ccc(C(=O)Nc2nc(C)cs2)c(OC)c1OC 8745557 BAVGGXURJHXXBJ-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB CC(=O)c1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1 15288314 IMYMJDKPJCCHDX-UHFFFAOYSA-N 313.382 2.879 0 40 DFAB CC(C)c1nncn1CCNc1cnc2cc(F)c(F)cc2n1 80229905 IBMIPMKTRUTDEI-UHFFFAOYSA-N 318.331 2.735 0 40 DFAB Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1C 15831490 MEYTYLQTXCAFJW-INIZCTEOSA-N 316.401 2.694 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 9153941 MCFOHKNBZGFMPH-RDJZCZTQSA-N 314.429 2.764 0 40 DFAB CCCn1nccc1NC(=O)NCc1nc(C)n2ccccc12 89960657 UZCOVTXZEVKVIP-UHFFFAOYSA-N 312.377 2.571 0 40 DFAB COc1ccccc1CCNc1nc(Cl)nc2[nH]cnc12 9419991 QZQMVGDISMLRAL-UHFFFAOYSA-N 303.753 2.670 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(F)c2)c1C 9548257 AYFZWNKVZCSZIX-UHFFFAOYSA-N 302.349 2.946 0 40 DFAB CCc1n[nH]c(S[C@H]2CCN(c3ccccc3Cl)C2=O)n1 71893951 GIKLHXUGZMPAKV-NSHDSACASA-N 322.821 2.918 0 40 DFAB Cc1ccoc1C(=O)NCCCC(=O)N1CCc2ccccc21 71896840 WJMVCQXCXYNLFZ-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB C[C@H](c1cccc(O)c1)N(C)CC(=O)NCc1ccccc1F 71892962 NXNWGCHDTNYZSY-CYBMUJFWSA-N 316.376 2.841 0 40 DFAB O=C(NCc1cc[nH]n1)[C@H]1C[C@H]1c1cccc(Br)c1 71846798 GSWMOBWCKXEFFG-STQMWFEESA-N 320.190 2.592 0 40 DFAB CCc1nc([C@H]2CCCN2c2ncnc3sccc23)no1 72279278 PXUUFJBXLPGESI-SNVBAGLBSA-N 301.375 2.978 0 40 DFAB Cc1nn(-c2ccccc2)cc1CN1CCCC2(C1)OCCO2 97058871 ZSXUDAIFBNKADL-UHFFFAOYSA-N 313.401 2.520 0 40 DFAB O=C1CN(C(=O)c2cncc(F)c2)c2cccc3cccc(c23)N1 97055031 RORGRICCLHWTCJ-UHFFFAOYSA-N 321.311 2.973 0 40 DFAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CC2CCCC2)C1 84259069 QEJBRLVHGXAYFW-MRXNPFEDSA-N 305.422 2.596 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)n(C)n2)o1 97161754 NFGVNKFDPANSQD-ZDUSSCGKSA-N 318.377 2.837 0 40 DFAB O=C(NCc1cscn1)N1CC[C@H](Cc2ccccc2)C1 84525723 SJGAYPZJZMVJBO-CQSZACIVSA-N 301.415 2.917 0 40 DFAB CC(C)CNC(=O)C1(NCc2cnc3ccccn23)CCCC1 95413204 FDROVFALTGLSGG-UHFFFAOYSA-N 314.433 2.509 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3cc(C)ccc32)C1 95423877 UXPOAKKVTBATGC-ZBFHGGJFSA-N 302.418 2.809 0 40 DFAB COc1cccc([C@@H](O)CN[C@H](C)c2cnn(C(C)C)c2)c1 95422281 MCSNHCULQDWJOL-DYVFJYSZSA-N 303.406 2.857 0 40 DFAB COC(=O)C1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 95959354 MFFAYIWUSTULPH-FKQQDJLNSA-N 310.438 2.842 0 40 DFAB COCCn1cc(NCc2ccc(SC)c(OC)c2)cn1 89420282 NCMNTLIXCIWZCI-UHFFFAOYSA-N 307.419 2.872 0 40 DFAB O=C(NCc1ccc(Cl)o1)c1ccc(-c2ccco2)[nH]c1=O 75125320 MMRYBRBOYFIAGT-UHFFFAOYSA-N 318.716 2.811 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCC2(C)C)sc2ncn(C)c(=O)c12 75105489 YHBVACHDHIKMIE-SNVBAGLBSA-N 319.430 2.612 0 40 DFAB CSC[C@](C)(O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 75143729 PYLGBPWUOYLZQN-GFCCVEGCSA-N 322.352 2.941 0 40 DFAB CCCCc1ccc(NC(=O)C(=O)NCCCOCC)cc1 61760522 PLPIQUXTUPRNSR-UHFFFAOYSA-N 306.406 2.511 0 40 DFAB NC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 35059414 LWGHHQGEKPLQGH-UHFFFAOYSA-N 306.163 2.874 0 40 DFAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 60379342 YRSSMSHGTKZTEY-INIZCTEOSA-N 315.760 2.702 0 40 DFAB NC[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 218574725 BVNUZPVOFBTCNC-OWCLPIDISA-N 321.829 2.855 0 40 DFAB CC1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 72238161 MUIGNMCAWIVTDX-BBRMVZONSA-N 320.458 2.916 0 40 DFAB COC(=O)c1ccccc1NC(=O)CSc1ccccc1N 32692057 FLWWQBLLSMZJFD-UHFFFAOYSA-N 316.382 2.786 0 40 DFAB Cc1nnc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1C 79049375 HNCZDKMDHZOGFF-UHFFFAOYSA-N 318.380 2.625 0 40 DFAB CSCC(=O)Nc1ccc(OCCN2CC[C@H](C)C2)cc1 73302828 GHCCJMVDVAYWGU-ZDUSSCGKSA-N 308.447 2.709 0 40 DFAB COC(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 39977578 FFCDPSAPBYQCGE-UHFFFAOYSA-N 315.344 2.861 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2ccc3nnc(O)n3c2)c2ccccc21 562302435 LWLISUWHPIQEBZ-CQSZACIVSA-N 322.368 2.835 0 40 DFAB Cc1nc(C(=O)NCc2ccccc2)cc(C2CCN(C)CC2)n1 72382868 HZYPCESTAGHAQK-UHFFFAOYSA-N 324.428 2.524 0 40 DFAB O=C(c1cccc(I)c1)c1ccccn1 43210472 VUERDFFIEPDLBI-UHFFFAOYSA-N 309.106 2.917 0 40 DFAB CC1CCN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)CC1 40774649 HRQMQEULZYZWQN-KRWDZBQOSA-N 318.442 2.772 0 40 DFAB C[C@@H]1CC(NC(=O)NCCc2ccc(F)c(F)c2)C[C@@H](C)O1 190094126 QEMBYUQGHUMDPE-GHMZBOCLSA-N 312.360 2.763 0 40 DFAB CCc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)s1 227116148 FXKAVOOZBRQYQY-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB CCOC(=O)c1c(-c2ccccc2)csc1-n1cnnn1 75149092 UPGCIEFKNPAEFY-UHFFFAOYSA-N 300.343 2.568 0 40 DFAB C[C@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CCCO1 573259268 PDIYEZTUZDIBQY-NSHDSACASA-N 313.781 2.528 0 40 DFAB O=C(NCCc1ccccn1)Nc1cc2c(cc1Cl)OCO2 192875032 ZTPIFLYDFXVEII-UHFFFAOYSA-N 319.748 2.828 0 40 DFAB COC(=O)NCC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 96446764 OPDMWMLNKKXNDN-QWRGUYRKSA-N 312.797 2.646 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@H](NC(=O)c2cccs2)C1 98211925 JSXCTEZUCFJAIX-CYBMUJFWSA-N 319.430 2.747 0 40 DFAB OC[C@@H]1CCCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 97236287 KEDSNRCFWQDXGS-ZFWWWQNUSA-N 322.415 2.934 0 40 DFAB CCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2cn(CC)nc21 96198083 KMCZJGDSROVHPF-HNNXBMFYSA-N 318.421 2.644 0 40 DFAB O=C(C1CC=CC1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238443 HJJDNJMOEIXCBM-IBGZPJMESA-N 310.397 2.608 0 40 DFAB CN(C[C@H]1CCOC1)C(=O)N[C@H](c1ccccn1)C1CCCC1 96455152 OVWALURMCUPJHV-PBHICJAKSA-N 317.433 2.991 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039389 PSDKPHFRSXBWDR-DOTOQJQBSA-N 323.458 2.725 0 40 DFAB FC(F)CN1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1 96478770 YGHXUQKLUXIVQT-INIZCTEOSA-N 315.452 2.570 0 40 DFAB Cc1cccn2c(CN3CCC[C@@H](Cc4nccn4C)C3)cnc12 97377015 RIMPFKKIGVPAPJ-INIZCTEOSA-N 323.444 2.831 0 40 DFAB O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccon1 91153435 SYWIHUNXAMVGDD-WCQYABFASA-N 310.712 2.727 0 40 DFAB Cc1cc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc(C)c1F 253370814 WRMORAPMXSSEFY-OBJOEFQTSA-N 315.410 2.600 0 40 DFAB Cn1cncc1CN1CCOC[C@@H](Cc2ccccc2Cl)C1 257300830 RVWBFWXFRPLMHV-AWEZNQCLSA-N 319.836 2.765 0 40 DFAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(C)c2ncccc12 57267792 WZVAUPMHWGAJAO-GFCCVEGCSA-N 320.414 2.695 0 40 DFAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cn1 68410626 RSDZJPLMUJAPOC-MSOLQXFVSA-N 323.396 2.545 0 40 DFAB CC(=O)c1csc(-c2csc(CS(C)(=O)=O)n2)c1 95399860 WVUGLIWEJHVMHF-UHFFFAOYSA-N 301.414 2.619 0 40 DFAB CO[C@@]1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCSC1 96097590 GTTCLDQCMQDAMF-BQAHKBOESA-N 309.475 2.841 0 40 DFAB Cc1ccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1NS(C)(=O)=O 101732939 XYHPEWPGPCZRSY-MELADBBJSA-N 306.431 2.991 0 40 DFAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1 5672660 WMJDIGVFAAPQGL-QGZVFWFLSA-N 311.381 2.899 0 40 DFAB O=C(Cn1ccc2ccc(F)cc21)NC[C@H](O)c1ccccc1 12321916 QRKHOHGGQJFDQI-KRWDZBQOSA-N 312.344 2.630 0 40 DFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 16740370 CWJAWCAZSNOMDO-GFCCVEGCSA-N 324.446 2.892 0 40 DFAB COc1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 19556684 QZOPRCMSUISFAJ-UHFFFAOYSA-N 301.371 2.567 0 40 DFAB CCc1cnccc1C(=O)N1CCN([C@H](C)c2ccccn2)CC1 163141098 KJRFNXKZYYYBKR-OAHLLOKOSA-N 324.428 2.558 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1 225461326 UEQMXHMDHKBLDE-AWEZNQCLSA-N 315.373 2.678 0 40 DFAB Fc1cc(Cl)cn2c(C(F)(F)Br)nnc12 1848350291 SWASKGLVHKLQFV-UHFFFAOYSA-N 300.465 2.966 0 40 DFAB COc1ccc(NC(=O)c2nn(C)cc2Br)c(C)c1 28224945 KIPNOYPOCNJMIJ-UHFFFAOYSA-N 324.178 2.752 0 40 DFAB CC(C)(CNC(=O)C(=O)NCc1cccs1)c1ccsc1 1565519471 VBRPREKNJMJDPI-UHFFFAOYSA-N 322.455 2.520 0 40 DFAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1 428221 TWJBMVYOJNNAFJ-SNVBAGLBSA-N 307.375 2.823 0 40 DFAB O=C(CCSc1nnc(-c2ccco2)o1)N1CCCCC1 4475490 JYZWDWFUVQWAQX-UHFFFAOYSA-N 307.375 2.824 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851952 COGXISBJNRGTEF-NSHDSACASA-N 324.336 2.938 0 40 DFAB CCOC(=O)c1c(NC(=O)c2ccn(C)n2)sc(C)c1C 12444380 XZCBQSSIANLXEP-UHFFFAOYSA-N 307.375 2.527 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)c2c(F)cccc2F)cc1 13715325 CBHAZNODXIJPAX-UHFFFAOYSA-N 318.323 2.848 0 40 DFAB O=C(c1cccc(F)c1)N1CCc2nc3ncccc3cc2C1 1889894413 YZSOXHFHCZHNOO-UHFFFAOYSA-N 307.328 2.967 0 40 DFAB CC(C)COc1ccc(NC(=O)c2nccnc2N)cc1Cl 30188169 PPHZFYTYBWYABE-UHFFFAOYSA-N 320.780 2.999 0 40 DFAB CCc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)s1 40106764 KUAUIZMMBCSQMF-OAHLLOKOSA-N 315.394 2.708 0 40 DFAB COc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl 79771 YCIUBBRKHNHZIQ-UHFFFAOYSA-N 310.202 2.787 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)NCCNc1ccncc1 40555363 MZOCTQCVGVVDDV-ZDUSSCGKSA-N 301.415 2.791 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1nc2ccc(O)cc2s1 512947 REUTUPDHTFQSEE-UHFFFAOYSA-N 309.416 2.861 0 40 DFAB Cc1cc([C@@H](C)NC(=O)CN(C)C(=O)c2ccco2)c(C)s1 40509378 LIACPMSQASJTOM-LLVKDONJSA-N 320.414 2.907 0 40 DFAB O=C(NCc1nnc2ccccn12)c1csc2c1CCCC2 8341202 ILAAXBMWDIVHKD-UHFFFAOYSA-N 312.398 2.600 0 40 DFAB O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccncc1 1353153 ILPUQDASKXKQDR-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 3436483 MKADMHKYLSSJMT-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)CCc2cccs2)c1 32359289 FTZYNDOEZNEYFX-UHFFFAOYSA-N 302.399 2.956 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCCCOC(C)C 6281190 FLFSZGGFJAEITD-UHFFFAOYSA-N 312.797 2.518 0 40 DFAB C#CCOc1ccccc1/C=C(\Sc1nnc(C)o1)C(=O)O 7603751 NHXSHLMOTZYICD-LCYFTJDESA-N 316.338 2.608 0 40 DFAB Fc1cccc(Cn2cc(-c3nc(-c4ccncc4)no3)nn2)c1 89775132 UDXOBFCMUIDCKR-UHFFFAOYSA-N 322.303 2.578 0 40 DFAB Cc1nc(CNC(=O)c2cnn(Cc3ccccc3)c2)cs1 32937755 NNNRAKSFFWUKQI-UHFFFAOYSA-N 312.398 2.626 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 69417128 WXURMRCBYOTQAS-LBPRGKRZSA-N 324.371 2.589 0 40 DFAB O=C(O)C[C@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CC1 42160849 YGIWVSXQWSXXRA-CYBMUJFWSA-N 307.777 2.837 0 40 DFAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc[nH]n1 23141708 NZBKZZVVLDGJLQ-UHFFFAOYSA-N 300.293 2.775 0 40 DFAB COc1ccc([C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1F 54610180 HIIPBVKIZSIRPK-MEDUHNTESA-N 302.349 2.712 0 40 DFAB O=C(c1cccs1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 54991949 NPRKTSNZKWFVPZ-ILXRZTDVSA-N 302.443 2.718 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc3c[nH]nc23)c1 24425229 SODVXWLGGHAZRB-UHFFFAOYSA-N 315.354 2.566 0 40 DFAB c1ccc(CCN2CCN(CCOc3ccccc3)CC2)cc1 43197613 IFGLCAAAVIZPDQ-UHFFFAOYSA-N 310.441 2.926 0 40 DFAB COc1ccccc1CN(C)C(=O)Cn1cnc2ccccc21 43275841 LJSYWKLMPFIHMD-UHFFFAOYSA-N 309.369 2.704 0 40 DFAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 25002057 SYUHZXZVKINLRU-JTQLQIEISA-N 316.386 2.726 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](c3nnc4ccccn34)C2)n1 43533690 JPAGVESJCKFFRD-AWEZNQCLSA-N 308.389 2.520 0 40 DFAB C[C@H]1CO[C@H](C)CN1Cc1noc(-c2ccc(Cl)cc2)n1 28984928 LAVOBVYBNQNLQB-WDEREUQCSA-N 307.781 2.999 0 40 DFAB CCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F 3094882 LLXYKXULVJYLME-UHFFFAOYSA-N 301.190 2.936 0 40 DFAB COCCCN1COc2c(Cl)cc3c(C)cc(=O)oc3c2C1 57140497 VWXTXPDXGJSDLH-UHFFFAOYSA-N 323.776 2.943 0 40 DFAB CCOC(=O)c1c(NC=O)sc(C=O)c1-c1ccccc1 3191224 HPSZTWQVOPSJIY-UHFFFAOYSA-N 303.339 2.973 0 40 DFAB COc1ccc(C(=O)Nc2nccn2Cc2ccccc2)cn1 58157910 CKESHPXBDAIJHP-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB COc1ccccc1[C@H](NC(=O)CC(C)C)c1nccn1C 44890330 PIVHLROOHQKRIJ-INIZCTEOSA-N 301.390 2.680 0 40 DFAB Cn1cnnc1CNC(=O)N[C@@H](c1ccccc1)C1CCCC1 58203347 KOSVHUNKNAXWHZ-INIZCTEOSA-N 313.405 2.546 0 40 DFAB C[C@H]1COCCN1C(=O)c1cccc(OCc2cscn2)c1 44912468 NCSIXCRFNDCJGF-LBPRGKRZSA-N 318.398 2.583 0 40 DFAB CS(=O)(=O)Cc1ccc(NC(=O)NCc2ccsc2)cc1 58460347 SSOMKSSOIVIGIP-UHFFFAOYSA-N 324.427 2.614 0 40 DFAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(N2CCCC2)nc1 48087239 NSRLJKTZFCIXHJ-OKILXGFUSA-N 317.437 2.981 0 40 DFAB O=C(COC(=O)/C=C/c1ccccc1Cl)NC1CCCC1 3393696 UIOBYMRTEGTRRB-MDZDMXLPSA-N 307.777 2.955 0 40 DFAB COc1ccc(C(N)=O)c(OCCOc2ccc(Cl)cc2)c1 48261142 SGEVNMQDCOESKS-UHFFFAOYSA-N 321.760 2.905 0 40 DFAB NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 3433289 GBRFSPLWMOZXSZ-UHFFFAOYSA-N 315.394 2.538 0 40 DFAB Cc1cc(NC(=O)COc2ccc(OC(F)(F)F)cc2)no1 13718742 KLTABJBEFBILQJ-UHFFFAOYSA-N 316.235 2.899 0 40 DFAB CC(C)COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 4337132 MKPLKRMGHBZGHF-HNNXBMFYSA-N 307.390 2.951 0 40 DFAB Cc1csc([C@H]2CN(Cc3nc(C(C)C)no3)CCO2)n1 65465977 VPPHGUIQFGTRBV-LLVKDONJSA-N 308.407 2.531 0 40 DFAB C[C@@H]1CN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC(C)(C)O1 65425996 UHHWFKBHMIHRNL-NVXWUHKLSA-N 316.445 2.849 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)Oc1ccccc1 409001084 GPQJCZBOBJIDBH-DZGCQCFKSA-N 304.390 2.860 0 40 DFAB Cc1cc(S[C@@H](C)C(=O)NC(N)=O)nc2c(C)cccc12 5582478 DXRGYBNVEWWLPV-JTQLQIEISA-N 303.387 2.527 0 40 DFAB C[C@@H](CO)NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010649 LPNVTSCVKACWJZ-LBPRGKRZSA-N 310.357 2.528 0 40 DFAB Cc1cc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)no1 68854817 KKMJPZULSDNKJQ-MRXNPFEDSA-N 300.358 2.691 0 40 DFAB COCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC 19736237 VTIKAQUSHVGSJN-UHFFFAOYSA-N 316.357 2.555 0 40 DFAB Cc1ccc(C(=O)[C@H](O)NC(=O)c2ccc(Cl)cc2)cc1 16735868 DEZUXMRCXHYXGH-INIZCTEOSA-N 303.745 2.580 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(F)c2F)c1 70014981 JGUXSIFRBCTYRU-GFCCVEGCSA-N 305.328 2.775 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccs1 9497961 OGVBUYJIISCUCB-ZDUSSCGKSA-N 306.387 2.814 0 40 DFAB C[C@H](NC(=O)CCN[C@H](C)[C@@H](C)n1cccn1)c1ccccc1 71882255 ZINSKIZIAHCLGG-OWCLPIDISA-N 314.433 2.690 0 40 DFAB O=C(CN1CCSC[C@@H]1c1ccccc1)NCc1ccco1 71909060 MTDJKSVCJSOPGV-MRXNPFEDSA-N 316.426 2.686 0 40 DFAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)CNC(=O)c1ccsc1 71908589 KQFUIHHUTAIFIP-ZBEGNZNMSA-N 314.410 2.528 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NCc2ccccn2)C1 71915697 MYNHXDBQAPUQQO-DLBZAZTESA-N 323.440 2.884 0 40 DFAB Cc1cc([C@@H](C)NC(=O)N2CCCN(C3CC3)CC2)c(C)o1 84081634 HSQAJLDQPLTUAP-CYBMUJFWSA-N 305.422 2.837 0 40 DFAB Cc1ccc(CNC(=O)NCCOc2ccc(F)cc2F)cn1 72270096 GMEPHQLMKDXVOU-UHFFFAOYSA-N 321.327 2.546 0 40 DFAB NC(=O)CCCNC(=O)c1ccccc1Sc1ccccc1 72296599 FHVIDWZCFUHIIE-UHFFFAOYSA-N 314.410 2.833 0 40 DFAB CCN1CCc2ccc(NC(=O)N(C)Cc3cnccn3)cc21 72287643 TTWHTCQHWUFVGB-UHFFFAOYSA-N 311.389 2.523 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)no1 76043470 MOPJCNBFWDPVBO-TZMCWYRMSA-N 315.398 2.759 0 40 DFAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(CC2CCCC2)C1 72300006 WNBAPSVOSGVWJW-HNNXBMFYSA-N 304.438 2.643 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)C12CCCC2 72303478 AXEDYBJJDHBSKH-CABCVRRESA-N 317.433 2.615 0 40 DFAB CO[C@H]1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 76347973 DPFVVBQNKCDSNR-ZDUSSCGKSA-N 316.323 2.755 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1 77410018 WJCUBCUPLSHLTK-SECBINFHSA-N 307.341 2.664 0 40 DFAB Nc1nccnc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 95397302 VBNGCEVKPMFTBJ-UHFFFAOYSA-N 320.356 2.510 0 40 DFAB CC1(C)CC(NC(=O)C[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 95464422 KWICXHBISCGTPC-GFCCVEGCSA-N 315.479 2.532 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C2=CCCC2)C1 95415241 MHIOXIAMPUVVEY-ZDUSSCGKSA-N 308.422 2.860 0 40 DFAB Cc1ccnc(NCc2cccc(C(=O)NCC(F)(F)F)c2)n1 95467410 UNAQCBVPGVQLLV-UHFFFAOYSA-N 324.306 2.689 0 40 DFAB CC(C)NC(=O)[C@H]1CCC[C@H](NC2Cc3ccccc3C2)C1 95422581 KEBYQLBSRVPUQQ-IRXDYDNUSA-N 300.446 2.827 0 40 DFAB COc1ccc(O)c(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1 95979075 YCRRDZDQODJMML-VIFPVBQESA-N 303.362 2.873 0 40 DFAB Cc1nc([C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)no1 95998862 OUGHSYUVWWDMPJ-GFCCVEGCSA-N 322.752 2.637 0 40 DFAB Cc1ccc(CCCC(=O)N2CC(=O)Nc3cccnc32)s1 79498477 QLANWKUYEAIYJV-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB Cc1ccc(S[C@H](C)C(=O)NCC(=O)NC(C)(C)C)cc1 9918125 DWEBOVUKWCKXTR-GFCCVEGCSA-N 308.447 2.507 0 40 DFAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cnccn1 27920803 MCHPTCIKJDJFGN-UHFFFAOYSA-N 313.748 2.627 0 40 DFAB C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@@H]1C 179812860 RSIBAYLKHFEOFI-GHMZBOCLSA-N 303.362 2.670 0 40 DFAB CC(C)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 25778599 RVFXGKGMXQOYIP-UHFFFAOYSA-N 318.461 2.581 0 40 DFAB Cc1cccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 22927650 ITPUKCZTUMISDI-CVEARBPZSA-N 319.449 2.594 0 40 DFAB O=C(c1ccncc1)N1CC[C@]2(CCCN2Cc2ccccc2)C1 63528491 BBBWTEUJXRQTHO-HXUWFJFHSA-N 321.424 2.962 0 40 DFAB O[C@H](CN[C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCCC1 129445471 GTJAXYJRYRWSDP-BFHYXJOUSA-N 308.388 2.544 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 123367129 JVEWXTLFKFWQPU-NTVPTJTOSA-N 306.446 2.930 0 40 DFAB CCc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218519072 TWJKISVPJIDOMZ-IXDOHACOSA-N 301.411 2.516 0 40 DFAB CCOCC(=O)N[C@@H](C)c1ccc(Br)cc1OC 188895854 ODKKRNHMHQWLIB-VIFPVBQESA-N 316.195 2.671 0 40 DFAB COc1ccc(CNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1 35290304 TZWYFQXFYNJNHJ-UHFFFAOYSA-N 322.364 2.775 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 72389967 UWQVCPJOWQGSCG-ZDUSSCGKSA-N 314.389 2.884 0 40 DFAB Cc1nc(CS[C@H]2CCN(c3ccccc3F)C2=O)no1 79028208 UJWNKDHLKVQURQ-LBPRGKRZSA-N 307.350 2.556 0 40 DFAB CCc1nc(C)cc(N2CCC[C@@H]2c2nc(C(=O)O)cs2)n1 567983869 WELSHJJKPATCEV-LLVKDONJSA-N 318.402 2.844 0 40 DFAB COc1ccc(CCNC(=S)Nc2ncccc2OC)cc1 225316070 ICOOQGGRBFWZNG-UHFFFAOYSA-N 317.414 2.628 0 40 DFAB C[C@@H](NC(=O)c1nnc2ccc(Cl)cc2n1)c1ccncc1 46088900 GJEQHRMTIYIWHA-SECBINFHSA-N 313.748 2.564 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)Nc1ccc(F)cc1 224200334 CRYFEEGVIRBJNB-UHFFFAOYSA-N 315.352 2.538 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCC2 571326555 NAZBCIMKYMEMMA-JTQLQIEISA-N 305.328 2.941 0 40 DFAB CCCCn1c2ccccc2n2c(SCC(=O)O)nnc12 85389324 RZMFECMKSBUNSA-UHFFFAOYSA-N 304.375 2.661 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccn2nccc2c1 225596383 BBRQAOAWVGRLBZ-UHFFFAOYSA-N 305.334 2.583 0 40 DFAB C[C@@H]1SCCN(C(=O)CCOCC(F)(F)C(F)F)[C@@H]1C 191910664 BBHDDXFZXHZTIN-BDAKNGLRSA-N 317.348 2.646 0 40 DFAB CN(C)CCOc1ccc(NC(=O)C2(C)CCCCC2)cn1 225946011 RZBPTIUTZZKOSU-UHFFFAOYSA-N 305.422 2.931 0 40 DFAB NC[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(F)(F)F 199784363 KGDLTOMAGOSJNX-OLZOCXBDSA-N 316.323 2.782 0 40 DFAB O=C(O)C1CCN(c2nc(C3CC3)nc3c2CCCC3)CC1 96516932 KAUSMTKNLLBOPR-UHFFFAOYSA-N 301.390 2.534 0 40 DFAB Cc1c(NC/C=C/c2ccccc2)cccc1C(=O)NCCO 96482756 KIJVKBZTYFJIDC-RMKNXTFCSA-N 310.397 2.842 0 40 DFAB CC1(C)C(COC(=O)c2ccc(CS(C)(=O)=O)o2)C1(C)C 96452629 ZQZYERGADOYVGH-UHFFFAOYSA-N 314.403 2.663 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)Nc2ccccn2)C1 96193081 SNZSTAXFVDJZEE-KRWDZBQOSA-N 311.341 2.612 0 40 DFAB CCC(=O)N1CCC2(CC1)C[C@@H](N(C)Cc1ccccc1)CO2 96221037 ZJIBCZHPYJJXRU-QGZVFWFLSA-N 316.445 2.679 0 40 DFAB O=C(NCc1cc2c(s1)CCCCC2)N1CC[C@H](CCO)C1 95410843 APMRGZBYDRLWIQ-CYBMUJFWSA-N 322.474 2.931 0 40 DFAB Cc1nnc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)s1 581352975 SQKZOHMPKHBHTB-STQMWFEESA-N 308.451 2.862 0 40 DFAB Nc1nc(-n2ccnc2)n(C(c2ccccc2)c2ccccc2)n1 95116175 FZIYKTIUXRRUBB-UHFFFAOYSA-N 316.368 2.684 0 40 DFAB CC1(C)[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)[C@H]2CCO[C@H]21 245338970 PSSLEQYURXJJIU-DTZQCDIJSA-N 318.392 2.926 0 40 DFAB Cc1nc([C@H]2CCCN2Cc2ncccc2F)cc(N(C)C)n1 257226468 FKSNCNUJJUZNJC-MRXNPFEDSA-N 315.396 2.722 0 40 DFAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3cccs3)cc2)C1 252482126 CZCVZBYHYCMLJS-OAHLLOKOSA-N 316.426 2.903 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C[C@H]2CC[C@H](C)O2)cc1 252537508 LLMLSHYMLNQKDC-XKQJLSEDSA-N 318.417 2.666 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c(O)n1 257342627 ZPMDTNOJYKRGQM-HNNXBMFYSA-N 311.385 2.586 0 40 DFAB COc1cccc2c1CCN(C(=O)c1ccc(C(=O)O)s1)C2 262840488 SCCBZLHGFUPGEH-UHFFFAOYSA-N 317.366 2.653 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCc1cncc(-c2ccco2)c1 575609100 RUMPCQLFGGOSGP-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)OCC(C)C)ccc21 42467694 TWBDKORVYURVML-LBPRGKRZSA-N 304.390 2.595 0 40 DFAB COCC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 69462520 PDGYZORCIULJHT-OAHLLOKOSA-N 321.417 2.664 0 40 DFAB CCc1ccsc1C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1 69775585 KJVYFXBZOZCTOS-UHFFFAOYSA-N 315.354 2.906 0 40 DFAB O=C1CCc2ccc(NC(=O)NCCc3cccs3)cc2N1 71922253 YQWFZHGATIGVNJ-UHFFFAOYSA-N 315.398 2.997 0 40 DFAB O=C1NCC[C@@H]1Nc1ccc(Br)c(C(F)(F)F)c1 95428149 VQVNVHUJMDPDKT-VIFPVBQESA-N 323.112 2.768 0 40 DFAB CCOC(=O)[C@H](O[P@@](C)(=O)OCC(C)C)C(F)(F)F 2565423 BREMCRZJQVWKEK-RLBGWGEZSA-N 306.217 2.993 0 40 DFAB C[C@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 12181022 XXKQIROTOMQKJG-SCLBCKFNSA-N 314.429 2.503 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1 13091873 BFBIJAMKIRJUSL-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB Cc1c(-c2ccccc2)nn2c(O)cc(Cn3cccn3)nc12 19557537 KPPACLXDLGQIMJ-UHFFFAOYSA-N 305.341 2.655 0 40 DFAB Cc1cnc([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cn1 1848352130 OZZADWTZNHNNGQ-GOSISDBHSA-N 308.385 2.840 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@@H](c3cccs3)C(C)C)nn12 26802373 AOVWATYNGLFISG-GFCCVEGCSA-N 315.402 2.621 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)Cc3cccs3)cc21 13696010 HSZPSHQSFIPAFT-UHFFFAOYSA-N 300.383 2.838 0 40 DFAB Oc1nc(Oc2cccnc2)nc2c1cnn2-c1ccccc1 78804563 FGKVQVMULQJPQM-UHFFFAOYSA-N 305.297 2.708 0 40 DFAB CN(C)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 23674248 MDPBTIGXYAJBOV-UHFFFAOYSA-N 323.440 2.711 0 40 DFAB CC(C)c1nccn1CCC(=O)Nc1cccc2c1OCCO2 73010392 RBABGBMWNAQYHU-UHFFFAOYSA-N 315.373 2.807 0 40 DFAB Cc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)s1 40535527 UTLCTMNDMYEZNU-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB CC(C)(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC2)C1 20714071 PFPVYPRCCBHYCY-UHFFFAOYSA-N 312.417 2.999 0 40 DFAB Cc1nc2c3c(ncn2n1)Oc1n[nH]c(C)c1[C@@H]3c1ccccc1 6412645 VOZMXDQTZGANIB-ZDUSSCGKSA-N 318.340 2.750 0 40 DFAB Cc1ccc([C@H]2C[C@H]2C(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1 6788558 XYBFUWKBQOPFHB-YRGRVCCFSA-N 312.291 2.568 0 40 DFAB CCCCc1c(C)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c1=O 8021047 SPEVBXSTEOOPIH-UHFFFAOYSA-N 315.348 2.797 0 40 DFAB CCOc1c(Cl)cc(CNn2cn[nH]c2=S)cc1OC 8253403 GZQRWANLIWXCOK-UHFFFAOYSA-N 314.798 2.745 0 40 DFAB CCn1cc(C(=O)NCCC(=O)OC(C)C)c2ccccc21 32820857 WZTGMVBVLHIZTA-UHFFFAOYSA-N 302.374 2.733 0 40 DFAB CCc1nc(Nc2c(C)nn(C)c2C)c2c(n1)c(C)nn2CC 57355555 QHJQYXNLKQEMGE-UHFFFAOYSA-N 313.409 2.811 0 40 DFAB COC(=O)c1cc(CNc2nccc(C(F)(F)F)n2)oc1C 46479427 OMPZDGLZRQLZCY-UHFFFAOYSA-N 315.251 2.796 0 40 DFAB COc1cccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)c1 32913611 QHFQECCDVZGVGM-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccco2)N(C)C)c1 41800552 DWZVQRLCYYSFJK-OAGJVSPASA-N 314.385 2.721 0 40 DFAB CC(C)c1c(C(=O)N2CCSCC2)cnn1-c1ccccn1 53818915 BBFBSBSCAFKHQX-UHFFFAOYSA-N 316.430 2.580 0 40 DFAB CN(C(=O)c1cccc(CN2CCOCC2)c1)C1CCCCC1 20112248 KHEUGGSXIQDHKY-UHFFFAOYSA-N 316.445 2.924 0 40 DFAB Cc1nn(CC(=O)O)c2nc(C(C)C)cc(C(F)(F)F)c12 12397011 DUGSYJKDSBGXIT-UHFFFAOYSA-N 301.268 2.967 0 40 DFAB in-vitro Cc1ccc(F)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 37462906 BDVWBVDCGILJSF-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(C(=O)O)c1O 20136958 OPIHLLIRLASYIV-UHFFFAOYSA-N 312.536 2.708 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2ccc(-n3cccn3)cc2)n1 7988511 JTMMGQKRROTCRB-UHFFFAOYSA-N 323.400 2.506 0 40 DFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1nncs1 43130160 MPFFYLAKRMFYCB-UHFFFAOYSA-N 310.354 2.740 0 40 DFAB C[C@H](NC(=O)COc1ccc(F)cc1)c1nc2ccccc2[nH]1 12556583 LWZZTFCFAKSPHW-NSHDSACASA-N 313.332 2.958 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 44123862 YXHFEDZYPDNGAB-DOMZBBRYSA-N 319.405 2.972 0 40 DFAB CCc1nc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cs1 47776726 VZXZNNCIQBCLHM-GJZGRUSLSA-N 310.463 2.866 0 40 DFAB CN(Cc1nccn1C)C(=O)C1(c2cccc(Cl)c2)CC1 44605469 ZRGPFYGDSDUKKL-UHFFFAOYSA-N 303.793 2.764 0 40 DFAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1cccs1 3248331 NFCWNAZXRNJRDU-UHFFFAOYSA-N 323.801 2.804 0 40 DFAB COCc1nc2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1 44900642 IGSIFAVQFCLZMX-UHFFFAOYSA-N 323.399 2.572 0 40 DFAB COc1c(CNCc2coc(-c3cccs3)n2)c(C)nn1C 58305882 CJOCKNOZAQQROQ-UHFFFAOYSA-N 318.402 2.743 0 40 DFAB Cc1cc(N(C)Cc2ccccc2Br)nc(N)n1 36396923 UMZVWYQWSCWLEK-UHFFFAOYSA-N 307.195 2.766 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc[nH]2)cc1 8177470 MTMLQPKDFUJGJS-LLVKDONJSA-N 302.330 2.597 0 40 DFAB CC(C)CC[C@H](C)NC(=O)CCn1ncc(=O)c2ccccc21 48252340 MXPCJMVNSWKLFG-AWEZNQCLSA-N 315.417 2.728 0 40 DFAB Cc1nc(CCNC(=O)Cc2cn(C)c3ccccc23)cs1 48332036 CAEHEEATESESIB-UHFFFAOYSA-N 313.426 2.845 0 40 DFAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2cnn(C)c2)cc1Cl 48302420 GBHNBPFHPLNRLB-RYUDHWBXSA-N 305.765 2.824 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 12905545 GSCKCXDRDJYWHM-UHFFFAOYSA-N 320.295 2.802 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccccc2-n2cncn2)c1 12933688 MJQGNKGAXNQVNW-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(-n2cnnn2)c1 8274563 GPBWKLQIXZZBRT-UHFFFAOYSA-N 314.736 2.960 0 40 DFAB COC(=O)c1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 13001575 YPCLVPAZDXXAHR-FUNVUKJBSA-N 315.369 2.807 0 40 DFAB CCOC(=O)c1sc(=N)n(CC(=O)c2ccc(F)cc2)c1C 3866975 GCFRHRLUFSSQKA-UHFFFAOYSA-N 322.361 2.536 0 40 DFAB O=C(CCCNC(=O)C1CC1)NCCCc1ccc(Cl)cc1 69324190 WTDJWVGOFNIOKJ-UHFFFAOYSA-N 322.836 2.695 0 40 DFAB CC(C)CNC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 4081159 VIHYZBRHVKWQSS-CZUORRHYSA-N 318.442 2.807 0 40 DFAB biogenic CC(C)C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 4122745 JCMKBBCHBQTTEL-UHFFFAOYSA-N 322.277 2.687 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NCCCCc1ccccc1 408708410 ZJVNAMMJEHHSDQ-UHFFFAOYSA-N 324.424 2.750 0 40 DFAB CCc1nnc2n1CCN(C(=O)C1(c3cccc(C)c3)CCC1)C2 69484751 UUZRMVSKWSNCAB-UHFFFAOYSA-N 324.428 2.613 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CC2CCCC2)CC1 69490101 ZNIHWBXFIQOZPE-ZDUSSCGKSA-N 304.438 2.816 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 65667802 XLWVXHMBVPHQJU-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)N1CCC[C@@H](C)C1 27935859 ANSJYRCEZVAPNI-CABCVRRESA-N 310.463 2.574 0 40 DFAB CCc1nnc2n1CCN(C(=O)c1occc1-c1ccccc1)C2 69598032 GLYMLYGXJQSTKR-UHFFFAOYSA-N 322.368 2.757 0 40 DFAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccccn1 66803552 XLWJFFLRSHCOIK-UHFFFAOYSA-N 319.368 2.929 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)no1 67887423 PMYVEOQTEWYXMC-SECBINFHSA-N 309.753 2.898 0 40 DFAB Cn1c(SCc2ccc3c(c2)OCO3)nnc1C(F)(F)F 8943977 GPUMEUCFBOUREJ-UHFFFAOYSA-N 317.292 2.855 0 40 DFAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 7506449 AGZKFFKHVBTHFQ-SSDOTTSWSA-N 321.320 2.727 0 40 DFAB Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 19795675 JOZNYWDUWPEPOS-UHFFFAOYSA-N 316.445 2.760 0 40 DFAB CCOc1ccc2nc(S[C@@H](C)C(=O)NC3CC3)[nH]c2c1 9366317 XPHIJXCDRMCQRN-VIFPVBQESA-N 305.403 2.721 0 40 DFAB CCNC(=O)C1CCN([C@@H]2CCc3c(F)ccc(F)c32)CC1 89977389 ILXFQAMOPAEKEL-OAHLLOKOSA-N 308.372 2.800 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 71842137 ISNCRKZJXFRWCS-JSGCOSHPSA-N 309.431 2.789 0 40 DFAB Cn1cccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 71826542 VKNIIDFVHYSVEX-UHFFFAOYSA-N 312.291 2.896 0 40 DFAB CCN(C(=O)c1ccc(C)nc1)[C@@H]1CCN(c2ccccc2)C1=O 71890964 PUVFZAJYEVUAPN-QGZVFWFLSA-N 323.396 2.658 0 40 DFAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 71847049 SJTSANKIJGFHFQ-NVXWUHKLSA-N 310.401 2.562 0 40 DFAB CN(CCc1ccncc1)C(=O)C[C@H]1OCCc2ccccc21 71908828 GRDUWWQRBNAYGH-GOSISDBHSA-N 310.397 2.787 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3ccsc3)C2)n1 72291684 GORGOPIIRBILKM-IAQYHMDHSA-N 318.446 2.924 0 40 DFAB CN(C)c1cc(CSCc2cccc(C(N)=O)c2)ccn1 97094903 SVSMKQYXPLLCCR-UHFFFAOYSA-N 301.415 2.680 0 40 DFAB CCOc1cc(-c2nc(-c3cnccn3)no2)cc(Cl)c1O 97104552 HUAAGGFMDWPBFJ-UHFFFAOYSA-N 318.720 2.951 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](CCO)C1 76023375 LJJXJGHKOAHVDW-SNVBAGLBSA-N 302.296 2.942 0 40 DFAB OCCn1ncc2c(Nc3ccc4ccccc4c3)ncnc21 97200297 VAXSKDKHSJGCAL-UHFFFAOYSA-N 305.341 2.715 0 40 DFAB COc1ccc(C(=O)Nc2cn[nH]c2)cc1OC1CCCC1 97372330 FZSJCYYLCUKCIB-UHFFFAOYSA-N 301.346 2.992 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)no1 76043463 MOPJCNBFWDPVBO-JSGCOSHPSA-N 315.398 2.759 0 40 DFAB CC(C)n1c(CNC(=O)CSc2ccccc2)n[nH]c1=S 66639549 VXCYNQVPAZRJIM-UHFFFAOYSA-N 322.459 2.930 0 40 DFAB COc1cccc([C@H](C)CC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)c1 84605397 ZDPILMDIPXCZSN-QJCNXMQDSA-N 317.429 2.808 0 40 DFAB COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 84640887 FQOMGGFDDIMBTK-QWHCGFSZSA-N 324.446 2.521 0 40 DFAB CC(C)(C)[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C(=O)O 95424711 PDRJGZUUQKOPRG-CYBMUJFWSA-N 302.330 2.571 0 40 DFAB CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccsc2)cc1 95420713 WFVHEJSQPRYPRP-LBPRGKRZSA-N 324.471 2.648 0 40 DFAB O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CCSCC1 98014606 WFSAFNMXPWABRK-HUUCEWRRSA-N 306.431 2.523 0 40 DFAB O=C(NCCO)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95978338 CSGMWZSYDTZTKR-SNVBAGLBSA-N 310.703 2.625 0 40 DFAB CC1CCC(O)(CS(=O)(=O)Cc2ccc(F)cc2)CC1 95988318 AQDNJIOOHLTNTH-UHFFFAOYSA-N 300.395 2.682 0 40 DFAB C[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)Cc1cccs1 74628630 URPOYASVZPZHEK-KBPBESRZSA-N 309.479 2.662 0 40 DFAB CCc1cc(N2CCC(NCc3ccsc3)CC2)ncn1 78996629 HMKNLDAGJUSOJG-UHFFFAOYSA-N 302.447 2.859 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C[C@H](O)c2ccccc2F)c1 75131896 CTVYGCVQOSXKAO-QAPCUYQASA-N 317.408 2.919 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)NCc1c(C)nn(C)c1C 174066195 NTECPHHRRSFFML-UHFFFAOYSA-N 324.384 2.930 0 40 DFAB O=Cc1cnc(COc2c(F)c(F)c(F)c(F)c2F)nc1 217378595 YQCJTZHRUJEBMI-UHFFFAOYSA-N 304.174 2.564 0 40 DFAB CCOc1ccc(OCC(=O)NCCc2nc(C)cs2)cc1 31849142 RWSSUTXXQJEEEZ-UHFFFAOYSA-N 320.414 2.588 0 40 DFAB NC(=O)CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72367812 IKLQSUGMHWVEGU-ZDUSSCGKSA-N 313.376 2.552 0 40 DFAB Cc1cncc(NC(=O)C(=O)N(CC(C)C)CC(C)(C)C)c1 127561792 GOZFJAKHCXRWSN-UHFFFAOYSA-N 305.422 2.859 0 40 DFAB COc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 30028995 GAOXAFUVHATZNF-SFHVURJKSA-N 310.397 2.824 0 40 DFAB COCCNc1cc([C@H]2CCN2Cc2ccccc2)nc(C)n1 72387482 OTRUMVZSCGJOSB-QGZVFWFLSA-N 312.417 2.790 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1SCCc2ccccc21 79753939 NDPDKWVQBNAGGD-XJKSGUPXSA-N 305.443 2.902 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC[C@@H]1CO 79439689 VLLQCKBOMIFNAS-SNVBAGLBSA-N 324.229 2.529 0 40 DFAB CSC[C@@H]1CCCN1CCC(=O)N1CCc2ccccc2C1 189091028 RVNIBRPYUAAQRW-KRWDZBQOSA-N 318.486 2.789 0 40 DFAB CCC(CC)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224386851 WXCUMVMFIRPCMR-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB O=C([C@H]1CCc2[nH]cnc2C1)N1CC[C@H](Cc2ccccc2)C1 225514356 OLUVIYGPCKCLHK-CVEARBPZSA-N 309.413 2.606 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1 40088041 HLVKEUVECNVYMX-INIZCTEOSA-N 314.316 2.966 0 40 DFAB CCn1cc(NC(=O)C2CCN(CCCCCF)CC2)cn1 225467482 GXKBNQPSZHLWSF-UHFFFAOYSA-N 310.417 2.693 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)c3cc4ccccc4[nH]3)c12 96406469 SLJQUQUDQKSZFE-UHFFFAOYSA-N 308.345 2.592 0 40 DFAB CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 96182932 NLUOXVUOTHFFIG-FGTMMUONSA-N 313.445 2.551 0 40 DFAB COc1cccc2c1CCN(C(=O)N[C@@H](C)CC(C)(C)OC)C2 96501277 MNCOTCMYQYSMDG-ZDUSSCGKSA-N 320.433 2.967 0 40 DFAB CC(C)n1c(S)nnc1Cc1ccc2c(c1)OCCCO2 98063805 NJYCLOSEPDBPHN-UHFFFAOYSA-N 305.403 2.900 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1nccs1 97227834 BPTBCSSPIDJHQW-VWYCJHECSA-N 309.391 2.609 0 40 DFAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1 96442624 JOVDVMRJPNLSRO-CQSZACIVSA-N 315.394 2.954 0 40 DFAB Cc1ccn(-c2ccccc2NCc2cnc3cnccn23)n1 90200840 ZHRTWIMGQXZLNP-UHFFFAOYSA-N 304.357 2.836 0 40 DFAB O=C(NCCn1cccn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 579566551 AQISAXJTHQYUSK-KRWDZBQOSA-N 324.428 2.862 0 40 DFAB CCOC[C@H]1CCC2(CCN(C(=O)c3ccoc3C)CC2)N1C 96207590 DUNDKCFCPWUYSC-OAHLLOKOSA-N 320.433 2.694 0 40 DFAB CC(=O)c1csc(C(=O)N2CCOC[C@@H]2c2cccn2C)c1 97379453 AODHVGALQXDPBK-CQSZACIVSA-N 318.398 2.503 0 40 DFAB Cc1nc(C(=O)N(C)CC(F)(F)C(F)(F)F)c2ccccn12 96420527 YAAHTZSWUUFMCG-UHFFFAOYSA-N 321.249 2.912 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccn(C(C)C)n1 96417816 DJPOAQSPAWELCU-KBPBESRZSA-N 310.467 2.937 0 40 DFAB Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 95426857 DDPSMEDNWZMYRI-NVXWUHKLSA-N 320.458 2.849 0 40 DFAB C[C@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)C(C)(C)C 96503165 NNZHUEWPGIYAHC-CABCVRRESA-N 318.465 2.904 0 40 DFAB CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cscn1 96467485 LSZQMHUSRKFJKQ-UHFFFAOYSA-N 316.382 2.913 0 40 DFAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2nccs2)n1 257313064 UQWHPEYSYSWIRW-OAHLLOKOSA-N 316.430 2.511 0 40 DFAB CN(C)c1cc([C@H]2CCCN2C(=O)CCc2cccnc2)ccn1 257252655 JVPJOYPUBOQPRG-QGZVFWFLSA-N 324.428 2.839 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)O)[C@H]2S(=O)(=O)c2ccccc2)cc1 252514298 BVBAJLBCSCBTQJ-OAGGEKHMSA-N 316.378 2.636 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccnc(O)n1 257248577 JEHIZZOHMHWZLW-KRWDZBQOSA-N 323.396 2.577 0 40 DFAB Cc1nc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1CCC2 250960324 OVORTMJRIRYZHL-SLEUVZQESA-N 317.458 2.671 0 40 DFAB CCC(=O)N1CCC[C@H](c2cn3cccc3c(N(C)C)n2)C1 257279925 OITHPUNCQLGOCO-ZDUSSCGKSA-N 300.406 2.516 0 40 DFAB Cc1nsc2ncn(CC(=O)C3CCCCCC3)c(=O)c12 295432374 UYRDEDZWERRNBK-UHFFFAOYSA-N 305.403 2.701 0 40 DFAB Cc1nc2cc(NC(=O)c3cnn4c3OCCC4)ccc2s1 90583913 MCGAZEOYFGDZCL-UHFFFAOYSA-N 314.370 2.836 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 299851125 YLGBMNAVNMKKAE-CQSZACIVSA-N 321.428 2.995 0 40 DFAB CNc1ncccc1CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585279313 JZZOZULMQCPJRV-AEFFLSMTSA-N 311.429 2.549 0 40 DFAB COc1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1F 53819760 AKFYKWWDUBHYLZ-VIFPVBQESA-N 312.341 2.686 0 40 DFAB O=C(CN1CCC[C@@H]1CN1CCCCC1)Nc1ccccc1 69077888 UKXXPXOFKJXNQY-QGZVFWFLSA-N 301.434 2.575 0 40 DFAB Cc1csc2nc(CCN3C(=O)c4ccccc4C3=O)cn12 88631 UZFIRKOMXJFKJU-UHFFFAOYSA-N 311.366 2.543 0 40 DFAB COc1cc(C(=O)Nc2cccc(N)c2C)cc(OC)c1OC 19736270 QSDCJFYLNGMDOB-UHFFFAOYSA-N 316.357 2.855 0 40 DFAB Cc1cccc([C@H](NC(=O)N(C)CCN(C)C)C(F)(F)F)c1 153291047 MXSXAQFAZZSQRT-ZDUSSCGKSA-N 317.355 2.801 0 40 DFAB C[C@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2[C@@H]3O)C1 31158909 UMGQYHQGKBYIAJ-DYBLOJMWSA-N 308.333 2.783 0 40 DFAB biogenic,in-vitro Cc1cc(NC(=O)CCN[C@@H](C)c2ccc(F)cc2F)no1 32679751 KGRVTMSLBNCNBF-JTQLQIEISA-N 309.316 2.941 0 40 DFAB C[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@@H](C)O1 31923735 XPGJWEADVIKLOQ-GYSYKLTISA-N 314.223 2.592 0 40 DFAB Cc1ccc(OCC2(O)CCN(C(=O)CC3CC3)CC2)cc1C 2037916101 NXKVIIGPOZZHOW-UHFFFAOYSA-N 317.429 2.836 0 40 DFAB CC(C)Cc1ccc([C@@H](C)C(=O)OCCOCC(=O)O)cc1 2061000214 GEXQBVGVHZGPHK-CYBMUJFWSA-N 308.374 2.633 0 40 DFAB O=C1CC(=O)N(c2ccc(F)cc2)C(=S)N1c1ccccc1 2454976 TWJHWWFESXZZEC-UHFFFAOYSA-N 314.341 2.881 0 40 DFAB CSc1ccc([C@H](O)CNc2ncnc3cnccc23)cc1 1775971317 MQEZTRSHDJISJE-OAHLLOKOSA-N 312.398 2.892 0 40 DFAB Cc1noc(CCCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 40529862 XFFOHKBWYIIUOP-SNVBAGLBSA-N 305.300 2.502 0 40 DFAB CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1c(F)cccc1Cl 376019 FEAMIVVUFFGQMB-GXSJLCMTSA-N 303.742 2.526 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 8035133 STTSXDIFVUOYOS-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB CC(C)(C)c1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 539028 UFWJJUMLAGYOST-UHFFFAOYSA-N 310.336 2.900 0 40 DFAB COc1cccc(NC(=O)NCCCN(C)CC(F)(F)F)c1 40527907 ZAUMHNFUWHXGNZ-UHFFFAOYSA-N 319.327 2.701 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCSCC1 40542214 SKCJSHNXTZWWMJ-UHFFFAOYSA-N 302.399 2.768 0 40 DFAB O=C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1 1699284 UVXQDNULVCVJKZ-UHFFFAOYSA-N 317.348 2.959 0 40 DFAB CN(C)C1(CNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 7782052 ZRCHVVUEFSLPRW-RRFJBIMHSA-N 309.523 2.904 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1 21187946 QUWYYZIOOUCDLR-NSHDSACASA-N 322.386 2.586 0 40 DFAB Cc1csc(CNC(=O)c2cc(C)nc3onc(C)c23)n1 21483317 VDBHJBOUXWODNK-UHFFFAOYSA-N 302.359 2.535 0 40 DFAB Cc1[nH]c2c(F)cc(F)cc2c(=O)c1I 8626691 YWWILMYXLLNRMO-UHFFFAOYSA-N 321.064 2.719 0 40 DFAB COc1ccc(NC(=O)NCc2ccccc2)cc1NC(C)=O 32826171 ZIGOPHOUXBLQAW-UHFFFAOYSA-N 313.357 2.975 0 40 DFAB CCOC(CC[C@H]1[C@H](CO)c2ccccc2N1C(C)=O)OCC 481545 KCJQXHNSGBDBRB-WBVHZDCISA-N 321.417 2.677 0 40 DFAB CCc1nnc(NC(=O)[C@H](C)OCc2cccc(OC)c2)s1 32924081 BEXHCTPOMAWUEV-JTQLQIEISA-N 321.402 2.653 0 40 DFAB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C=C(C(=O)O)N2 12321790 WXZTUUSNIPTKHA-SNVBAGLBSA-N 322.777 2.637 0 40 DFAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)cc1 47107839 ONVLPEYFPIROPC-DOMZBBRYSA-N 304.390 2.781 0 40 DFAB Cc1ccccc1NCCC(=O)Nc1ccc(NC(N)=O)cc1 24434990 PLWVNWFRNMAWDU-UHFFFAOYSA-N 312.373 2.926 0 40 DFAB O=C(CSc1nc2n(n1)CCC2)Nc1ccc(Cl)cc1 28527304 OQMXQKBKYSKWLQ-UHFFFAOYSA-N 308.794 2.609 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)c2cnn3cccnc23)cc1 25050153 SXBHTKXJHCMQIS-GFCCVEGCSA-N 310.357 2.619 0 40 DFAB COc1ccc([C@@H](O)CNC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC 104242957 ZUEUKXSAOCIISH-SDADXPQNSA-N 303.402 2.539 0 40 DFAB COc1cc2c(cc1OC)CCN(c1nc(C)cc(C)n1)CC2 57150283 SJPSREIWVPBCEL-UHFFFAOYSA-N 313.401 2.716 0 40 DFAB CC(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 21596448 YTTSJDSEXYKZDQ-UHFFFAOYSA-N 312.354 2.723 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1c(F)cccc1F 3219590 PQLJCTVMHUSBHT-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB O=C(CSc1nncn1-c1ccccc1)NC1CCCCC1 3291487 DTEKDBGQVPJBHH-UHFFFAOYSA-N 316.430 2.808 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccc(N2CCCCC2)nc1 44894722 ITCOGQYKWXXIHS-UHFFFAOYSA-N 314.389 2.858 0 40 DFAB CCc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 10267931 WAJHJRQCIORFLN-SFHVURJKSA-N 310.397 2.524 0 40 DFAB O=C(CCN1CCSC1=O)Nc1cnc2ccccc2c1 12607777 VGPXROWDQRQSMT-UHFFFAOYSA-N 301.371 2.732 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CN[C@@H](C)c1nc2ccccc2n1C 91367165 PASFVTSDMHYQOQ-MJEQTWJJSA-N 319.474 2.871 0 40 DFAB O=C(NCc1cccnc1)Nc1ccc(N2CCCCC2)nc1 58401636 AHXVEDLFAFHVJS-UHFFFAOYSA-N 311.389 2.789 0 40 DFAB Cc1cc(C)c(NC(=O)COC(=O)c2cnccn2)c(Cl)c1 3395896 QBBNMJVJLOQRBL-UHFFFAOYSA-N 319.748 2.542 0 40 DFAB NC(=O)[C@H](OC(=O)c1cccc2ncccc12)c1ccccc1 11199091 DSPTXPCYYHKYRO-MRXNPFEDSA-N 306.321 2.618 0 40 DFAB COc1ccccc1OCC(=O)N1CCc2sccc2C1 12919025 WXBQVNIRYYRXLR-UHFFFAOYSA-N 303.383 2.720 0 40 DFAB Cc1cccc(C2(C(=O)NCC(=O)N3CCCC3)CCCC2)c1 69379337 VUTVWOWAWCZDAE-UHFFFAOYSA-N 314.429 2.545 0 40 DFAB COC(=O)[C@H](C)CN(C)C(=O)c1cc2ccc(C)cc2nc1C 63748346 CUIWOGRFWNMTOY-GFCCVEGCSA-N 314.385 2.733 0 40 DFAB Cc1cc(CNC(=O)Cn2cc(C)cn2)c2[nH]c(C)c(C)c2c1 69486359 OTZJTRWLRJDRNT-UHFFFAOYSA-N 310.401 2.914 0 40 DFAB Cc1nc(S[C@H]2CCOC2=O)c2c3c(sc2n1)CCC3 6114192 GJJKZDHQBBZEAF-JTQLQIEISA-N 306.412 2.896 0 40 DFAB CN1CCN(CC(=O)N(c2ccccc2)C2CCCCC2)CC1 65563982 PMTZSBJIKQWYGB-UHFFFAOYSA-N 315.461 2.600 0 40 DFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1O 6536002 QSWTUJQSHDOYKO-AWEZNQCLSA-N 314.366 2.834 0 40 DFAB CC(C)N(C)C(=O)CSc1nnc(Cc2cccs2)o1 66261673 IHFQBNFGUPDCAZ-UHFFFAOYSA-N 311.432 2.681 0 40 DFAB O=c1[nH]c(CSc2ncccn2)nc2ccc(Cl)cc12 7061695 OMYLNBMYZHUYKB-UHFFFAOYSA-N 304.762 2.659 0 40 DFAB O[C@H](CN[C@@H](c1ccc(F)cc1)C1CCC1)Cn1cccn1 69973239 YIWWDDOLVNTKSC-IAGOWNOFSA-N 303.381 2.514 0 40 DFAB CC(=O)Nc1ccc(N[C@H](C)C(=O)NCc2ccccc2)cc1 7221587 XVIMDEIXPOKGGH-CYBMUJFWSA-N 311.385 2.762 0 40 DFAB CCC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1)C2=O 19327519 IWZVKKUNYVVGIW-UHFFFAOYSA-N 304.821 2.955 0 40 DFAB O=C(NCc1ccccc1F)c1noc(-c2ccc(F)cc2)n1 96105438 FEKAICJNJRCTAM-UHFFFAOYSA-N 315.279 2.945 0 40 DFAB COc1ccc(-c2nc(NC(=O)/C=C/c3ccco3)n[nH]2)cc1 9376436 PEOQAMWEEFKWJJ-CMDGGOBGSA-N 310.313 2.725 0 40 DFAB O=C(CCC(=O)c1cccs1)NCc1nc2ccccc2[nH]1 9335758 NAFRQUIXTREEJD-UHFFFAOYSA-N 313.382 2.904 0 40 DFAB CC(C)[C@H](O)CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 72294175 HCDROPGXIFZHDW-GFCCVEGCSA-N 320.311 2.766 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)Nc1cnc2ccccc2n1 72310531 XGDLVMBKJAWPRP-UHFFFAOYSA-N 309.373 2.551 0 40 DFAB CCOc1nnc(CN2C[C@@H](C)C(=O)Nc3ccccc32)s1 72488218 IDLQOJVYLCRCKD-SNVBAGLBSA-N 318.402 2.532 0 40 DFAB COc1ccc([C@@H](C)NC(=O)NCCn2cccc2)c(OC)c1 84417187 YASFZUHSPGPNEO-CYBMUJFWSA-N 317.389 2.566 0 40 DFAB CC(=O)Nc1cccc(COc2ccc(-n3cncn3)cc2)c1 72674058 GGMLYQDWCCUTIF-UHFFFAOYSA-N 308.341 2.805 0 40 DFAB CC[C@H](OC(=O)[C@@H](C)S(C)(=O)=O)C(C)(C)c1ccccc1 84718785 LXPFAIDFTCCPNJ-OCCSQVGLSA-N 312.431 2.719 0 40 DFAB O[C@H](COCc1ccco1)Cn1ccc(-c2ccsc2)n1 95438820 OTLVSPISDBSTFV-ZDUSSCGKSA-N 304.371 2.782 0 40 DFAB C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)n1cccn1 74123416 OEUZUKMGCJEABW-YOEHRIQHSA-N 306.369 2.745 0 40 DFAB C[C@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)[S@](C)=O 95939469 PXWPNROCCKBGML-JLCFBVMHSA-N 322.474 2.608 0 40 DFAB CC(C)(C)S(=O)(=O)CC(=O)N(C1CCCC1)C1CCCC1 95981689 QSMXVPVMPAWULG-UHFFFAOYSA-N 315.479 2.914 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@](C)(O)c1ccsc1 78972945 XPHQXBVRHYTHIT-KRWDZBQOSA-N 318.442 2.801 0 40 DFAB CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(OC)c(O)c2)C1 79020742 NEUKBXIJKMZFDG-RXSFTSLZSA-N 311.447 2.570 0 40 DFAB CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 75093945 NODQEBJTJHLEFV-KGLIPLIRSA-N 306.431 2.580 0 40 DFAB CC(C)c1nc(CN(C)Cc2nnc3ccccn23)cs1 79442450 LNTRVHQWWFPKOS-UHFFFAOYSA-N 301.419 2.941 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 67142149 JSYQGIYHELELDL-IAGOWNOFSA-N 302.393 2.672 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Cl 408728684 RKHFIQGLZYJCMT-BQGCOEIASA-N 317.772 2.871 0 40 DFAB CCc1ccc([C@@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218602225 BCRHMPAUVDFHRX-KSZLIROESA-N 315.438 2.764 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1ccncc1 79493032 IFOSFISSAUZMMO-UHFFFAOYSA-N 312.398 2.610 0 40 DFAB O=C(NC1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 36171463 WADAIZDEHOPUKO-UHFFFAOYSA-N 300.402 2.598 0 40 DFAB CCc1ccc([C@@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218602070 BCRHMPAUVDFHRX-KURKYZTESA-N 315.438 2.764 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)C[C@H](C)O1 36108167 NWNZLOQCRSEDSQ-MJVIPROJSA-N 302.340 2.814 0 40 DFAB COC(=O)COc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 36398209 MRVLKVKXOVEYIM-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1cc(NCc2ccc(OC(F)(F)F)cc2)n2ncnc2n1 35311005 OMHHAAPPIMROPF-UHFFFAOYSA-N 323.278 2.943 0 40 DFAB CCN1CCN[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72352848 GLSDVYLZTVTPJS-IBGZPJMESA-N 324.424 2.725 0 40 DFAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CNCCO1 43710160 DCNYDNDQHQWZBG-TVQRCGJNSA-N 317.216 2.501 0 40 DFAB CN1C[C@@H](C(=O)O)[C@@H](c2ccc(OCc3ccccc3)cc2)C1 225608427 XEWWCNVQEAMEAP-QZTJIDSGSA-N 311.381 2.995 0 40 DFAB O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1ncc(C2CC2)o1 329325201 VZAMHDAVHFXOSV-LJQANCHMSA-N 322.364 2.695 0 40 DFAB CN1CCN(C(=O)c2ccc(-n3cccc3)nc2)c2ccccc21 84543575 JJZLKJKLIIRSCN-UHFFFAOYSA-N 318.380 2.969 0 40 DFAB c1cc2c(cc1-c1noc(-c3cc4n(n3)CCCO4)n1)CCC2 329594466 VAVFNWKSRQJNGO-UHFFFAOYSA-N 308.341 2.871 0 40 DFAB COCCC(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1 572075780 CMTPXBKTDGSEMD-UHFFFAOYSA-N 303.406 2.853 0 40 DFAB Cc1cccc(OCc2cn(CC(=O)Nc3ccccc3)nn2)c1 227161029 RNJQACZOXAZKRH-UHFFFAOYSA-N 322.368 2.804 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccncc2)C1 225732088 MCQJSASLPMSNIZ-KBPBESRZSA-N 306.479 2.736 0 40 DFAB Cc1ccc(O[C@H](C)CNC(=O)CCc2cscn2)cc1 96431409 LXNVQRLAVKQATD-CYBMUJFWSA-N 304.415 2.968 0 40 DFAB C[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1 92074206 ICAUXLUXNGIDRX-CXAGYDPISA-N 321.392 2.901 0 40 DFAB Cc1ccc([C@H](CNC(=O)c2cc(C)cs2)OCCO)cc1 96337571 OEECUZUKEMUQEE-HNNXBMFYSA-N 319.426 2.845 0 40 DFAB Cc1ccccc1CS(=O)(=O)Nc1cnc(C2CC2)nc1 96503028 DYJFERDVGHMDSW-UHFFFAOYSA-N 303.387 2.604 0 40 DFAB COCC[C@H]1COC2(CCN(C(=O)c3ccsc3)CC2)C1 96220236 HNFYDUNIFIUZCC-CYBMUJFWSA-N 309.431 2.796 0 40 DFAB CCNC(=O)COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 93501790 ZUSHCDJAAVVBOT-KBPBESRZSA-N 322.474 2.527 0 40 DFAB CN1CCN(C(=O)CSc2ccncc2)c2ccc(F)cc21 96432424 DSIVAPBEUWBIJI-UHFFFAOYSA-N 317.389 2.796 0 40 DFAB CC[C@@H]1N(C(=O)c2ccsc2)CCC[C@]12CCC(=O)N2C 96052425 SMTJCXSFRFNJGL-BBRMVZONSA-N 306.431 2.754 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1c1ccc2nnc(C)n2n1 96452667 IPKRWQLBCTYXDD-HNNXBMFYSA-N 323.400 2.653 0 40 DFAB CN1c2ccc(F)cc2[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 96251722 KABXFYJDYLMWCT-ZFWWWQNUSA-N 300.333 2.867 0 40 DFAB COc1c(C)cnc(C[S@](=O)c2nc3ccsc3[nH]2)c1C 96190694 CBCVSLUOXATBLD-OAQYLSRUSA-N 321.427 2.953 0 40 DFAB CO[C@@H](CNC(=O)CCc1cnn(C)c1)c1cccc(Cl)c1 96431920 ZVBKEZZVALGYCY-HNNXBMFYSA-N 321.808 2.510 0 40 DFAB O[C@@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 97200646 KNENPSDASRINBO-PBHICJAKSA-N 315.392 2.688 0 40 DFAB C[C@H](CO)[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2Cl)c1 96422037 MNIXENUEPHEWPU-GHMZBOCLSA-N 322.796 2.664 0 40 DFAB CCOCc1cncc2c1CCN(C(=O)Cc1cccs1)C2 253384608 PLAWNFUIWDPLRZ-UHFFFAOYSA-N 316.426 2.807 0 40 DFAB CCN1C(=O)CC[C@@H]2N(Cc3nccs3)CCCC[C@@]21C 257321764 WDDFCCNUDBLZRP-BBRMVZONSA-N 307.463 2.899 0 40 DFAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1C 257339392 ZBMMYYVIOFIOLH-WBVHZDCISA-N 302.418 2.821 0 40 DFAB Cc1nc(O)cc([C@@H]2CN(Cc3cccc4[nH]ccc34)CCO2)n1 257311935 ULROOBMZXPSAMU-KRWDZBQOSA-N 324.384 2.545 0 40 DFAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1Cc2ccccc21 261827486 XEAKQRAISKAQEL-SJORKVTESA-N 307.349 2.537 0 40 DFAB CC(=O)NCCCNC(=O)Nc1cccc(Cl)c1Cl 43264127 WWYCGFUABLRTTD-UHFFFAOYSA-N 304.177 2.641 0 40 DFAB C[C@H](Cn1cccn1)NCCCc1nc(-c2cccs2)no1 69348585 MNFLVSQSXWHVJM-GFCCVEGCSA-N 317.418 2.606 0 40 DFAB Cc1ccc2c(c1)cc(C)c1nn(Cc3ccccn3)c(=O)n12 12117716 ULKZFIBPXBIJHS-UHFFFAOYSA-N 304.353 2.709 0 40 DFAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 19713228 FSLMDYCDLHACHY-DLBZAZTESA-N 318.465 2.714 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccon1)C2 153322634 XLNBHNHOLZZBEG-KBPBESRZSA-N 307.394 2.648 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CC[C@H](C(=O)O)CC1 102237233 FMHWRYNCZBTGED-BETUJISGSA-N 314.385 2.718 0 40 DFAB COc1ccc(CCNC[C@H](O)c2ccc(C)s2)cc1OC 1866007 JYCMKXOEIKFBHF-AWEZNQCLSA-N 321.442 2.939 0 40 DFAB Cc1ccc(Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1 6840297 SUISFTHXJSICFF-UHFFFAOYSA-N 320.392 2.973 0 40 DFAB CSCC[C@](C)(O)CNC(=O)CCSc1ccccc1 75157476 OFBSTOSTBUOSPL-HNNXBMFYSA-N 313.488 2.789 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1ccccc1 85436467 KWLUYGXBTDQSIY-OAHLLOKOSA-N 323.389 2.536 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1nc(-c2ccco2)cs1 40111433 IYIOVJCNQKPPKH-NXEZZACHSA-N 319.386 2.504 0 40 DFAB COc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)c(O)c1C 125020 UOGXCTVAHHTNHV-UHFFFAOYSA-N 314.337 2.906 0 40 DFAB biogenic COc1ccccc1N1CCN(C(=O)[C@H]2CC=CCC2)CC1 40457517 OIHXTAVJBKNYOC-HNNXBMFYSA-N 300.402 2.700 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(F)cc1Cl 40477731 WMBSBZHLFOXWQK-QMMMGPOBSA-N 301.749 2.515 0 40 DFAB CSCCC(=O)NCc1cccc(Cn2ccnc2C)c1 96689441 TYXIMFWPITZKRO-UHFFFAOYSA-N 303.431 2.609 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 40526848 POOOZYLPOINTPJ-SNVBAGLBSA-N 312.316 2.772 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 3072136 ZBCZLPKTFBLTRO-UHFFFAOYSA-N 308.403 2.722 0 40 DFAB CC(C)(CN1CCCCCC1)NS(=O)(=O)c1cccs1 3184648 FOSCTQYZTLSTEZ-UHFFFAOYSA-N 316.492 2.681 0 40 DFAB O=C(NCc1cccnc1OC1CCCC1)N1CCSCC1 45933504 IYRGWZYSVIQJDB-UHFFFAOYSA-N 321.446 2.661 0 40 DFAB COc1ncccc1NC(=O)c1cncc(Br)c1 40816853 LLGKZQFBCYJYCP-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)n1 7398545 VSSWBTZMUJEIAX-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB Cn1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c2ccccc21 32899624 QNXNQDJESPTJRW-UHFFFAOYSA-N 322.368 2.599 0 40 DFAB CCOC(=O)N1CCN(C(=O)c2ccccc2SCC)CC1 8041801 YLIQEQVHKKGCKB-UHFFFAOYSA-N 322.430 2.713 0 40 DFAB COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)cc1 488262 YHSBXUZIWLODAL-UHFFFAOYSA-N 314.341 2.804 0 40 DFAB biogenic O=C(NCCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 32986256 OSUCBUQTFBFEJW-DOTOQJQBSA-N 314.429 2.988 0 40 DFAB COc1cccc(-n2nnc(C(=O)Nc3ccc(C)cn3)c2C)c1 32914203 OTAODVAXEQYKAQ-UHFFFAOYSA-N 323.356 2.540 0 40 DFAB CC(C)OC(=O)c1nnc2sc(-c3cccc(F)c3)nn12 57332618 QYOOMKROIRLOLV-UHFFFAOYSA-N 306.322 2.557 0 40 DFAB C[C@H](CC(=O)N(C)C1CCCCC1)NC(=O)c1ccccc1 22241170 HJIUEZHMFAUTGX-CQSZACIVSA-N 302.418 2.986 0 40 DFAB COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(OC)cc1 12395073 AZPHGVMCBHPDEB-UHFFFAOYSA-N 311.341 2.833 0 40 DFAB CCn1cc(NC(=O)C2C3CC4CC(C3)CC2C4)ccc1=O 47182110 YSSWZFSTRCKPJC-UHFFFAOYSA-N 300.402 2.879 0 40 DFAB O=C(Nc1ncccc1O)c1ccc(OC[C@@H]2CCCO2)cc1 12545112 ZJIHAOIPHJHVTI-AWEZNQCLSA-N 314.341 2.597 0 40 DFAB Brc1ccc2nc(CSc3ncn[nH]3)cn2c1 12584811 XVYCTPHYYKIFIP-UHFFFAOYSA-N 310.180 2.507 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 20154036 IUKDHOKNPYHYLZ-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCSc2ccccc21 47871014 BSSALRDRKIFZTD-GXTWGEPZSA-N 316.430 2.808 0 40 DFAB O=CNc1ccc(OC(=O)c2cncc(Br)c2)cc1 3287151 MXFBGJHVRBUKAC-UHFFFAOYSA-N 321.130 2.632 0 40 DFAB COc1ccc(CN(C(=O)[C@@H](C)SC)C2CC2)c(OC)c1 44935239 APKAMIFGYHAMKY-LLVKDONJSA-N 309.431 2.946 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC[C@H](C)Cn1nc(C)cc1C 110637562 YLUAOELFMLFMON-TUKIKUTGSA-N 324.494 2.719 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@@H](C)OC[C@H]1CCCCO1 58313436 SZSGHCIIKQYKKB-NVXWUHKLSA-N 305.418 2.928 0 40 DFAB COCc1ccccc1C(=O)NC[C@@H]1CCCN(C(C)C)C1 58343937 AZOMPBOIYQRXCJ-HNNXBMFYSA-N 304.434 2.683 0 40 DFAB O=C(COc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCO1 3304359 JFBYZDZZFCLARZ-JTQLQIEISA-N 304.173 2.667 0 40 DFAB Cc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)o1 3301007 RBUUYPVDUPMTCH-UHFFFAOYSA-N 301.342 2.712 0 40 DFAB O=C(Nc1nc(-c2cccc(OC(F)F)c2)n[nH]1)c1ccoc1 69442929 BRSOMEQYMAHGIO-UHFFFAOYSA-N 320.255 2.918 0 40 DFAB C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-c1ccccc1 48221412 GSQQCYGPGWFATO-INIZCTEOSA-N 324.424 2.804 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)/N=c2/[nH]nc(-c3ccccc3)[nH]2)c1 12880583 KQPUYOYQNCUUHA-CYBMUJFWSA-N 322.368 2.608 0 40 DFAB Cc1c(NC(=O)c2cc3ccccc3o2)cccc1-n1cnnn1 3435491 VVLZVCWIMCMXFC-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB CCOc1ccccc1C(=O)OCC(=O)NCC1CCCCC1 3519823 PCMWGCTXLBWDSG-UHFFFAOYSA-N 319.401 2.939 0 40 DFAB CS[C@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 63080195 WSBLCQYWULTROS-CQSZACIVSA-N 306.475 2.766 0 40 DFAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1 4392678 WRIGZSWXDLXEHU-QMMMGPOBSA-N 322.213 2.757 0 40 DFAB CN1CC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1=O 65504210 OFVOUNHCZZNHHG-IAGOWNOFSA-N 314.429 2.999 0 40 DFAB CNc1ccccc1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 18267805 IRXURLXYNFIGKC-NSHDSACASA-N 323.352 2.883 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1C 15243150 UHSZCKHSWFCGSG-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB O=C(NCCCc1ccccc1)c1c(O)[nH]c2ccccc2c1=O 9043399 CKTQEMXVMPFPBG-UHFFFAOYSA-N 322.364 2.596 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3cccc4ccccc34)nn12 7653947 IVLJUTBJGMRVPB-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB O=C(NCCn1cccc1)c1cn(C2CC2)c(=O)c2ccccc12 71284261 PFIZARBZRFIISX-UHFFFAOYSA-N 321.380 2.568 0 40 DFAB CCn1c(=O)n(CCC(=O)Nc2cc(C)ccn2)c2ccccc21 9468793 IKKCPWMAZIFNNA-UHFFFAOYSA-N 324.384 2.555 0 40 DFAB CN(C)CCn1ccc2ccc(NC(=O)C3CCOCC3)cc21 96426911 RHLPHYIVABFTMA-UHFFFAOYSA-N 315.417 2.568 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1cccc(F)c1 71859087 ZQXKRHZHRFGGJW-DMZKTXOQSA-N 319.401 2.779 0 40 DFAB c1ccc(CCn2cnnc2SC[C@@H]2CCCCO2)nc1 71893976 YVYQDCFKUNATES-AWEZNQCLSA-N 304.419 2.577 0 40 DFAB CCc1noc([C@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 72299984 UEDQNCKZFUEBMN-JQWIXIFHSA-N 317.393 2.833 0 40 DFAB CCc1nnc([C@@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299975 KUWVUGJFXXNHRM-PWSUYJOCSA-N 317.393 2.833 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@H]1CC[C@H](C(=O)O)C1 97039264 QOEWGCQBXQRPSV-IUCAKERBSA-N 301.795 2.704 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NCC(=O)N3CCCC3)s2)o1 97081137 AWYAGBGKXVXHGP-UHFFFAOYSA-N 318.398 2.669 0 40 DFAB Cc1noc([C@@H](C)OC(=O)c2cc3c(cc2O)CCCC3)n1 84286523 XAHAZTRUFSFGAL-SECBINFHSA-N 302.330 2.880 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccccc1Cl 97143964 RYSNMDLWOVQGHJ-OAHLLOKOSA-N 304.777 2.892 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1ccn(-c2ccccc2)n1 95393321 IWUZUBXVJPPRNP-UHFFFAOYSA-N 309.369 2.692 0 40 DFAB O[C@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccccc1 95418284 SLDNSYVZDIESAC-MRXNPFEDSA-N 306.369 2.727 0 40 DFAB C[C@H](Cc1ccccc1Br)NCc1nccn1C 95414150 UHHXXSAWLQDIGJ-LLVKDONJSA-N 308.223 2.903 0 40 DFAB Cn1ccnc(NCc2ccccc2COc2ccccc2)c1=O 95403045 JSZPEVJECNNQMY-UHFFFAOYSA-N 321.380 2.971 0 40 DFAB Cc1cc(F)cc(NC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c1 95434630 GUTFIWGRZCVXLK-UHFFFAOYSA-N 318.352 2.663 0 40 DFAB CCOCCOc1ccc(Br)cc1NC(=O)NC 95995808 DMDUSBAYBDCMCO-UHFFFAOYSA-N 317.183 2.616 0 40 DFAB NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 9952710 JXECHNZZNAPQBX-UHFFFAOYSA-N 320.348 2.956 0 40 DFAB CC(=O)Nc1nnc(SCc2nc(C)c(C)s2)s1 89559532 VTZXCZOIPLKHKT-UHFFFAOYSA-N 300.434 2.862 0 40 DFAB COCCNc1ccccc1CNC(=O)N[C@H](C)C(C)(C)C 89598314 VGGMUJOARPCONB-CYBMUJFWSA-N 307.438 2.979 0 40 DFAB Cc1cc(C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)ccc1F 89587716 SFNMVHUDCONHQK-LLVKDONJSA-N 318.314 2.843 0 40 DFAB COCc1c(Cl)cccc1NC(=O)CNC(=O)C(C)(C)C 89621314 PPUFJUQHHPMKTJ-UHFFFAOYSA-N 312.797 2.587 0 40 DFAB CCOC(=O)C[C@@H](NC(=O)Nc1cc(C)on1)c1ccccc1 63975199 FUOUMZFPTKCKSZ-CYBMUJFWSA-N 317.345 2.799 0 40 DFAB COc1cccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 32579252 QIUBJVNTKYKXKC-UGFHNGPFSA-N 305.374 2.763 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)Cc2cncs2)C12CCCCC2 188155407 MKHGXLIZDGZILB-ZIAGYGMSSA-N 308.447 2.930 0 40 DFAB O=C(O)CCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 225483588 OYVOPTYKTQLQEK-VHSXEESVSA-N 313.756 2.954 0 40 DFAB CCCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225724782 PWIDNOHDHADRPY-UHFFFAOYSA-N 306.793 2.961 0 40 DFAB COC(=O)[C@H](C)CNC(=O)Nc1cc(C(F)(F)F)ccc1F 86291544 UGXLCHIWEDZDDK-SSDOTTSWSA-N 322.258 2.775 0 40 DFAB COc1ccc(CCCN2CCOC3(CCOCC3)C2)cc1F 195573055 MQBLRMKUYCSUPV-UHFFFAOYSA-N 323.408 2.648 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223315179 UQYUVJGIQGFYRH-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C 225594169 CHODBDMESLTXHK-CYBMUJFWSA-N 308.397 2.868 0 40 DFAB CCCc1occc1C(=O)Nc1ccc(OCC)cc1C(N)=O 225583160 HXLYRCKACHMFGS-UHFFFAOYSA-N 316.357 2.982 0 40 DFAB O=C(COc1nn(-c2ccccc2)cc1Cl)N1CCCCC1 227151786 PBMYHGXTRRYPHG-UHFFFAOYSA-N 319.792 2.917 0 40 DFAB CNC(=O)CCCC(=O)N1CCC[C@@H]1c1ccc(OC)c(C)c1 195571939 UJPCVDAOMINYBP-OAHLLOKOSA-N 318.417 2.583 0 40 DFAB CC(C)(O)CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O 87493100 WBIQLKREZMXFIJ-UHFFFAOYSA-N 316.353 2.738 0 40 DFAB biogenic Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)nn1 85470853 MFEQUBJEMBZGNV-OAHLLOKOSA-N 324.428 2.879 0 40 DFAB CC1(C)COC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 40448222 PHKPUBTYSVDHRF-UHFFFAOYSA-N 312.410 2.864 0 40 DFAB CC[C@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCS1 195531841 CUHQOOSJUPNWKD-NEPJUHHUSA-N 324.412 2.615 0 40 DFAB CC(C)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCOCC1 195537494 ZZJGSCONYINTTA-CYBMUJFWSA-N 323.412 2.773 0 40 DFAB Cc1cc(C)n2ncc(-c3noc(-c4cc(C5CC5)on4)n3)c2n1 96405275 ATHWFMIBNVLFDU-UHFFFAOYSA-N 322.328 2.929 0 40 DFAB Cc1ccc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)CO3)o1 96047795 WZXWFIVEWBKDCV-OAHLLOKOSA-N 315.417 2.860 0 40 DFAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)CC1CCOCC1 96449213 PNJSADOJYOWAMU-UHFFFAOYSA-N 319.373 2.548 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccn(C)c1)c1ccccc1Cl 95418368 NCWKFYIHQJAWBN-CQSZACIVSA-N 320.776 2.713 0 40 DFAB C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(CO)c1 96493952 PCIHNQRUNXMFNN-CZUORRHYSA-N 320.433 2.839 0 40 DFAB Fc1ccccc1OC[C@@H]1CO[C@@H]2CN(Cc3ccoc3)C[C@H]12 96215729 CJJJMIAFEDJUAA-IIDMSEBBSA-N 317.360 2.945 0 40 DFAB CCS[C@@H]1CCC[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 96451512 YDANWLHWVWJVKS-NWDGAFQWSA-N 311.451 2.531 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)c2ncnc3[nH]ncc23)s1 96429572 JRDQVQHUFUGRCM-SECBINFHSA-N 302.407 2.878 0 40 DFAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1ccoc1)CC2 96197763 JHQXTMASELBYFP-MRXNPFEDSA-N 301.390 2.539 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)c2ccsc2)c1 96408212 KHIXYVYJHWITQC-OAQYLSRUSA-N 323.439 2.896 0 40 DFAB CCC(=O)Nc1nnc(CCOc2ccc(OC)cc2)s1 95116474 CYUSFXAUHTVPQV-UHFFFAOYSA-N 307.375 2.517 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242538978 JKFJQZJSVJKVBH-VVWQDTPRSA-N 322.493 2.948 0 40 DFAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2ccsc2)n1 257286871 PNKOWUILGXRROE-HNNXBMFYSA-N 302.447 2.937 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2ccncn2)C1 257249562 JIXCVSMDPMFZOE-OAHLLOKOSA-N 321.380 2.659 0 40 DFAB O=C(c1cncs1)N1CCCC[C@@H]1c1ccn2nccc2n1 257214253 CLGADKGDSJQJAX-GFCCVEGCSA-N 313.386 2.553 0 40 DFAB Cc1nc2sccn2c1CN1CCC[C@@H](c2ccncn2)C1 257291160 QFXRRFRFHNUQLS-CYBMUJFWSA-N 313.430 2.874 0 40 DFAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCN(C)CC1 257173772 WTWWVPYKNPOHAO-UHFFFAOYSA-N 313.376 2.584 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C)nc2O)ccn1 257223416 DXGXSUPLGHDMMC-AWEZNQCLSA-N 312.373 2.510 0 40 DFAB Cc1cccc(C)c1OCC(=O)N1CCC[C@]2(C)NCCC[C@@H]12 257308918 TYSXBRPFNSBLAE-APWZRJJASA-N 316.445 2.815 0 40 DFAB C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1cnn(C)c1 266729120 KOTZWUPRWKJLJC-NSHDSACASA-N 306.435 2.820 0 40 DFAB Cc1ccc(O[C@@H]2CCC[C@H](CNC3CCOCC3)[C@H]2O)cc1 585287083 SWBNOTNPSYBUKD-ATZDWAIDSA-N 319.445 2.672 0 40 DFAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 48275032 QBHNFCMESAHPLH-TXEJJXNPSA-N 305.378 2.595 0 40 DFAB CCCc1nc(C)c(C(=O)NCCNc2ccncc2)s1 65402346 OIUNYOODZRMUNT-UHFFFAOYSA-N 304.419 2.641 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 96365350 MCTRIIWZWDLXDK-AWEZNQCLSA-N 324.446 2.635 0 40 DFAB O=C(CNc1cc(Cl)ccc1N1CCCC1)NCC1CC1 72301925 IAEAOBBQLSNKQR-UHFFFAOYSA-N 307.825 2.878 0 40 DFAB Cc1nc(C)c(C)c(N2CCN(c3ccccc3F)CC2)n1 301441986 PAMYSDHSNDPUNS-UHFFFAOYSA-N 300.381 2.868 0 40 DFAB O=C(O)c1ccc(CNC(=O)c2ccccc2Br)o1 94554545 GNYCWEPPPSLIIO-UHFFFAOYSA-N 324.130 2.670 0 40 DFAB Cc1cc(C)c2nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc(C)c2c1 14608248 CAGMIKQOBBMKDG-UHFFFAOYSA-N 321.384 2.871 0 40 DFAB O=C(C[C@H]1C(=O)Nc2ccccc21)C[C@H]1C(=O)Nc2ccccc21 17021209 FJWZSZSPICWEDJ-HUUCEWRRSA-N 320.348 2.808 0 40 DFAB O[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1cccc(F)c1 643914370 PUKDNDLXUZVDCK-CZUORRHYSA-N 306.406 2.708 0 40 DFAB Fc1cc(F)c2nc(N3CC(Cn4ccnc4)C3)sc2c1 1889149471 XOZYJNJTBZECHE-UHFFFAOYSA-N 306.341 2.907 0 40 DFAB Fc1ccc2ncn3c(-c4ccc5c(c4)OCO5)nnc3c2c1 9048356 LMAKQUNTFBYGJI-UHFFFAOYSA-N 308.272 2.812 0 40 DFAB O[C@](CNc1ncnc2cnccc12)(c1ccccc1)C1CC1 1775972583 LTJOBRUDGGNRKJ-GOSISDBHSA-N 306.369 2.735 0 40 DFAB O=C(CSCc1ccccc1)N1CC(Oc2nccs2)C1 206919180 IQZPQFVRBAXEFF-UHFFFAOYSA-N 320.439 2.666 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NCCNc3ncccn3)cc2C1 40088541 BHXGGWOIIWDYTO-LLVKDONJSA-N 316.430 2.505 0 40 DFAB COC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 145967 KGMXIUXYIIUVOE-UHFFFAOYSA-N 314.366 2.606 0 40 DFAB O=C(CCOc1ccccc1)NC[C@H]1OCCc2ccccc21 82483 WZBWUIFEAHXMCS-GOSISDBHSA-N 311.381 2.886 0 40 DFAB CC[C@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 428492 NGUWQLLHXLOFQJ-NSHDSACASA-N 303.362 2.593 0 40 DFAB CCN(CC)C[C@@](C)(O)CNc1cc(OC)cc2cccnc12 1656122 VAUWSLCVUJRAJX-SFHVURJKSA-N 317.433 2.748 0 40 DFAB Cc1ccc(NC(=O)CCCC(=O)O)c(Br)c1 265714 FEQMDQVAXCJPDF-UHFFFAOYSA-N 300.152 2.951 0 40 DFAB CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2 4358780 DESGADYOKOQPIG-UHFFFAOYSA-N 304.440 2.856 0 40 DFAB O=C([C@H]1CCCS1)N1C[C@@H](n2cccn2)Cc2ccccc21 75214700 AIXWEIOXSVITDQ-GOEBONIOSA-N 313.426 2.909 0 40 DFAB C[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1cccnc1 69631661 XKYWUNRGTDAPTK-MRVPVSSYSA-N 316.304 2.538 0 40 DFAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2[nH]nnc2c1 32895218 XKQFFODLFNAPHB-NXEZZACHSA-N 312.295 2.809 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 101983338 LMJMKTJBFNFKMO-QPYBSBGSSA-N 311.259 2.565 0 40 DFAB COCCn1cc(NC(=O)c2cccc3ccccc23)ccc1=O 32816651 RRVFYCMVEPIVQE-UHFFFAOYSA-N 322.364 2.900 0 40 DFAB COc1ccccc1CCNC(=O)c1ccn(-c2ccccc2)n1 32913861 BZPCWOBZYLWKNR-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCC(O)CC3)c2cc1Cl 33040072 VTECEWHXHUHKNQ-UHFFFAOYSA-N 307.777 2.712 0 40 DFAB O=C(Nc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1 534443 UBIQLNOTIQSOOO-UHFFFAOYSA-N 311.316 2.947 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)oc1)[C@@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102755408 JKUIUOHKHIBIIS-MTPJIJQVSA-N 301.386 2.830 0 40 DFAB CCOCC(=O)N(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69778442 YCXAWMLCZCLWFA-KRWDZBQOSA-N 320.339 2.944 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](n2ccnc2)C1 69776752 POHJUCPEWMMHTB-HNNXBMFYSA-N 303.793 2.943 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 54247750 WZRDRFYJLSNPIZ-STQMWFEESA-N 320.389 2.748 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721493 ZKXJETYWCPKQDF-CQSZACIVSA-N 319.449 2.597 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cc1ccsc1 24985381 PUTVICPWQOMXPF-OAHLLOKOSA-N 314.410 2.920 0 40 DFAB CCN(Cc1cccs1)C(=O)c1ccc(CNC(N)=O)cc1 25287675 IBMITSMBHYLOHM-UHFFFAOYSA-N 317.414 2.579 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3nccnc3c2)c1 56077284 OGLPZLJWGDYJFM-UHFFFAOYSA-N 324.315 2.980 0 40 DFAB COCCCNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 25526189 BDFSICFJLFHVQW-UHFFFAOYSA-N 319.430 2.952 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccnc1Cl 108345662 FLDCOYSPQGLMDB-DLOVCJGASA-N 308.765 2.593 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C 110666175 JYXQLKBSOCVLEA-IGQOVBAYSA-N 300.468 2.631 0 40 DFAB CC1CCN(C(=O)COC(=O)CCC(=O)c2cccs2)CC1 3289324 MKADVOJZLHMSGK-UHFFFAOYSA-N 323.414 2.513 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2csc(C(C)C)n2)no1 58575504 RNHNUCXSPDVVAU-UHFFFAOYSA-N 308.407 2.633 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)Cc2ccsc2)c1 3342298 IJRQAMXENXDMKC-UHFFFAOYSA-N 320.366 2.734 0 40 DFAB CCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1 12731036 UIECFMNRHKLGSJ-LHNRBYRGSA-N 302.418 2.901 0 40 DFAB Cc1nc(Cn2c(NC[C@H](C)O)nc3ccccc32)cs1 48229797 NNVGEEMCMLHMTF-JTQLQIEISA-N 302.403 2.642 0 40 DFAB CC(C)[C@@H](C(=O)N[C@@H](C)C1CC1)N1CCc2ccccc2C1 48290704 SDPVAZFLPDCUBI-KSSFIOAISA-N 300.446 2.984 0 40 DFAB O=C(COC1CCCC1)Nc1cc(N2CCOC2=O)ccc1F 48341097 SMZXJZRZWHQGNO-UHFFFAOYSA-N 322.336 2.680 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1F 3470590 BXNTUDNECJCYQJ-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB CCOc1cc2c(cc1NC(=O)c1cc(C)on1)O[C@H](C)C2 12921932 HMBQEBKKOBCCJO-SECBINFHSA-N 302.330 2.957 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(C)=CC[C@H]2C(=O)O)cc1 3893705 VJYVMOJMTKUPLK-CABCVRRESA-N 316.357 2.641 0 40 DFAB Cn1ccc(COc2ccc(F)cc2Br)cc1=O 63941568 SJXKVJVQBNFUDO-UHFFFAOYSA-N 312.138 2.866 0 40 DFAB Cc1ccc(CNC(=O)CCCC(=O)NCc2ccccc2)o1 13942856 DILPMTJYQADEMD-UHFFFAOYSA-N 314.385 2.691 0 40 DFAB Cc1cccc(C2(C(=O)NC3CCN(CC(F)F)CC3)CC2)c1 65554261 XBEILDCTPZEQSH-UHFFFAOYSA-N 322.399 2.872 0 40 DFAB Cc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 5456973 XWFWKMAPHDJFFZ-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1C 7637660 KLKHQMJELUVXOO-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB O=C(NCCc1ccccc1)N1CCN(c2ccccc2)CC1 9322039 CKBPDYZWTRWECI-UHFFFAOYSA-N 309.413 2.761 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 72286711 CQZOOIPWKKGNST-LLVKDONJSA-N 305.161 2.632 0 40 DFAB CCCN1CCCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 71850313 IJOSGVKQBTVBEQ-UHFFFAOYSA-N 320.433 2.570 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)c1C 71869723 MXLCRZYYYGOAHJ-INIZCTEOSA-N 314.433 2.935 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCC[C@H]1Cn1cccn1 71866729 LRASMNRHNKRLPC-LBPRGKRZSA-N 302.403 2.522 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)on1 71819867 HBRDAWAYWFNBJC-LBPRGKRZSA-N 322.796 2.813 0 40 DFAB NC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 97019377 VQKUTGRRMPSPRW-UHFFFAOYSA-N 314.410 2.542 0 40 DFAB CCc1ccc(NC(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1CC 97161802 JFWBQZURSZEPDN-CXAGYDPISA-N 320.433 2.815 0 40 DFAB Cn1c(C(=O)Nc2nc[nH]n2)cc2cc(C(F)(F)F)ccc21 72302790 FTSJMDINQWROEB-UHFFFAOYSA-N 309.251 2.568 0 40 DFAB C[C@H](CCN1CCCC1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 97228820 XNGQTXSFNRSWTA-HZPDHXFCSA-N 323.481 2.652 0 40 DFAB O=S(=O)(CCNC[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 89828032 AJHSCSKYCZGSNQ-FUHWJXTLSA-N 315.438 2.854 0 40 DFAB COCCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 97495047 DCSWSUAFVDAYHX-KRWDZBQOSA-N 314.385 2.611 0 40 DFAB Cc1ccccc1C[C@@H](CNC(=O)c1ccc(C#N)cc1)C(=O)O 95425413 YUMDFMIYPFHEOL-KRWDZBQOSA-N 322.364 2.540 0 40 DFAB CN1C(=O)C[C@@H](COC(=O)C2=CCCC2)[C@H]1c1cccs1 95415967 NTYFLZMEQAHSBW-WFASDCNBSA-N 305.399 2.921 0 40 DFAB COc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1OC 62001604 KKIIZKHKYNCWEI-IEBWSBKVSA-N 324.380 2.628 0 40 DFAB biogenic CCn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2ccccc2)C1=O 76047105 FXUAGDZVJKYNBZ-IRXDYDNUSA-N 324.428 2.676 0 40 DFAB CCc1noc(C)c1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 76248624 CCXNSRPLELXAJC-CHWSQXEVSA-N 324.446 2.672 0 40 DFAB C[C@@H](CCO)NC(=O)Nc1ccc(Cl)c(Br)c1 88406010 HCUBVPUFHMOLLW-ZETCQYMHSA-N 321.602 2.995 0 40 DFAB CN(Cc1ccoc1)C(=O)NC[C@H](c1ccccc1)N(C)C 95954594 PUSMALKMRFQNIC-MRXNPFEDSA-N 301.390 2.724 0 40 DFAB COc1ccc(Cl)c(NS(=O)(=O)N2CCC[C@H](C)C2)c1 95960868 UXKCOUYBOVWYTR-JTQLQIEISA-N 318.826 2.737 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 79018755 XECKOYUEDOATGI-KGLIPLIRSA-N 308.422 2.811 0 40 DFAB C[C@]1(c2ccccc2)CCCN(C(=O)CCn2ccccc2=O)C1 79095970 OOLWDHCMWRPDRW-FQEVSTJZSA-N 324.424 2.819 0 40 DFAB CCn1cc(CN(C)C(=O)Nc2cc(OC)ccc2OC)cn1 28222042 AWHDDZLMLJADEN-UHFFFAOYSA-N 318.377 2.584 0 40 DFAB CCOC(=O)C1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 26114403 ARDOPBDWNZQUCG-UHFFFAOYSA-N 303.402 2.648 0 40 DFAB CCCNC(=O)Cn1cc(-c2nnc(CC)o2)c2ccccc21 35422972 AEJBNSOUSWFEQH-UHFFFAOYSA-N 312.373 2.780 0 40 DFAB CC[C@@H]1C(=O)O[C@H]2OC(c3ccccc3)(c3ccccc3)N[C@@H]12 31672083 INOKXHPHRRQOTE-BQFCYCMXSA-N 309.365 2.785 0 40 DFAB CC(C)C[C@@H](NCc1cccc(Oc2ncccn2)c1)C(=O)O 72238801 YHAOKTAPLKRTKT-OAHLLOKOSA-N 315.373 2.858 0 40 DFAB O=C(c1ccccc1)N1CCN(Cc2nc3ccccc3o2)CC1 38616751 XJUGVWBBUKOHDM-UHFFFAOYSA-N 321.380 2.786 0 40 DFAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)N 79415564 YRJOIHDDZZOEJZ-WMZOPIPTSA-N 317.477 2.625 0 40 DFAB Cc1ccccc1[C@H]1CCN(C(=O)Cn2cccn2)CCS1 219287066 NIXUBBYWMIQPMK-MRXNPFEDSA-N 315.442 2.898 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2C(=O)CCCC[C@H]2N1Cc1ccccc1 212416551 BHSQQNRNUQVUSQ-BRWVUGGUSA-N 315.413 2.952 0 40 DFAB O=C1OC[C@@H]2CCN(Cc3ccccn3)Cc3ccccc3N12 225482097 JWFSULVHWLHGEP-INIZCTEOSA-N 309.369 2.813 0 40 DFAB biogenic,in-vitro COc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)c(OC)c1 225114147 PFOMRZINDPRNES-QGZVFWFLSA-N 316.353 2.916 0 40 DFAB COC(=O)N1CC[C@@H](NCc2cnc(-c3cccs3)s2)C1 83472663 CCJDRKUXCDKBGB-SNVBAGLBSA-N 323.443 2.802 0 40 DFAB COc1ccc(O[C@H](Cc2ccccc2OC)C(=O)O)cc1 225097372 WTVDBGXPBZRMHE-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1[C@@H]1CCC[C@@H](F)C1 574989268 LFZWBJVZGIMYNS-KFWWJZLASA-N 302.349 2.656 0 40 DFAB Cc1ccc(CNC(=O)C(=O)NCc2cccc(Cl)c2)cc1 339477519 GVJJEGJTYFQGKD-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB CC(=O)NC(C)(C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 96412568 BVIDNWRXFUFZQA-UHFFFAOYSA-N 306.410 2.701 0 40 DFAB O=C(NCc1cccc(C(F)(F)F)n1)NC[C@@H]1C[C@H]1C1CC1 577037084 GWHCCTKGCLHUBE-JQWIXIFHSA-N 313.323 2.946 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)c1ccccc1)CC2 96106280 BCCGLRPUTKNZNQ-MRXNPFEDSA-N 303.402 2.592 0 40 DFAB Cc1ccc(NCCNC(=O)[C@H](C)c2cc3ccccc3o2)nn1 96451243 QTTPICYFIGJYSO-CYBMUJFWSA-N 324.384 2.863 0 40 DFAB O=C(NC[C@@H]1CCOC1)Nc1cc(F)ccc1N1CCCCC1 96403456 GPLUVBPNVZVYBD-ZDUSSCGKSA-N 321.396 2.974 0 40 DFAB C[C@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)n1ccnc1 579362851 VBWAIWAHNKQBJF-CRAIPNDOSA-N 313.401 2.608 0 40 DFAB CC(C)[C@@H](CCO)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 96434443 ANFYUSGDBZKJDN-MRXNPFEDSA-N 323.412 2.954 0 40 DFAB CN(Cc1ccccn1)[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96048065 VBBMFXBSAVLGRX-SFHVURJKSA-N 315.461 2.547 0 40 DFAB CO[C@H]1CO[C@@]2(CCN(C(=O)c3oc4ccccc4c3C)C2)C1 96107687 JFNLUWDTWOPWCT-ACJLOTCBSA-N 315.369 2.761 0 40 DFAB O=C1[C@H](Sc2nc3ccccc3o2)CCN1C1CCOCC1 96447666 YTXDGWQMHRHPTA-CQSZACIVSA-N 318.398 2.700 0 40 DFAB C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)c1cccc(C(F)(F)F)c1 95415371 GYESAFJVWUVPBF-JTQLQIEISA-N 324.302 2.927 0 40 DFAB Cc1nc(C)c(-c2nn3c(-c4cccnc4)nnc3s2)s1 95473055 WUSKIGZYUGCLQX-UHFFFAOYSA-N 314.399 2.988 0 40 DFAB OCCN(Cc1cscn1)c1ccc(Br)cc1 96486841 YQOLLOGSELLFHE-UHFFFAOYSA-N 313.220 2.905 0 40 DFAB O=C(CCOc1ccccc1)NOCc1noc2c1CCCC2 95398966 YMSKPCMJPBKDLQ-UHFFFAOYSA-N 316.357 2.570 0 40 DFAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@H]3CCCC[C@H]32)c1 245339055 QFJQJVXSRGMPRI-BFHYXJOUSA-N 311.451 2.807 0 40 DFAB O=C(O)c1ccccc1-c1cnc(CN2CCCOCC2)s1 257273602 NHIYMTIGPMHEPH-UHFFFAOYSA-N 318.398 2.731 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)c3cc4cc(F)ccc4n3C)C[C@@H]2C1 257299682 RRBKYXDYBGEZES-NHAGDIPZSA-N 316.376 2.814 0 40 DFAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1c(F)ccc(O)c1F 252488937 JCGZFNAWTXDUCS-YNZJMPHRSA-N 301.292 2.739 0 40 DFAB O=C(c1cccnc1)N1CCC(Oc2ccncc2Cl)CC1 390825987 WSYJAIDTLABKSF-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB COC1CCN(c2ccc(NC(=O)c3ccno3)cc2)CC1 96382002 AWQCYGPUNCLIJZ-UHFFFAOYSA-N 301.346 2.542 0 40 DFAB Cc1cccc(C[C@H]2CCN(Cc3ccnc(C)n3)C[C@H]2O)c1 585279479 MSWFASRKYFBZEY-IEBWSBKVSA-N 311.429 2.519 0 40 DFAB CON(C)C(=O)c1cc(C)nc2cc(Br)ccc12 48178974 HYTWFOGNGMKBRA-UHFFFAOYSA-N 309.163 2.939 0 40 DFAB CCCc1ccc(-c2cc(NC(=O)c3cc[n+]([O-])cc3)[nH]n2)cc1 57204281 YESRPTLNURGJBZ-UHFFFAOYSA-N 322.368 2.915 0 40 DFAB Cc1cc(N[C@H](CO)Cc2ccccc2)nc(-c2cccnc2)n1 69445141 FGVKRTFNSITBPO-KRWDZBQOSA-N 320.396 2.863 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCC[C@@H]2CCCO2)c1 71909731 JBRJDRMQEQQDGD-HNNXBMFYSA-N 302.418 2.894 0 40 DFAB Clc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1 588780785 XSMRENKRMNCFCJ-UHFFFAOYSA-N 314.820 2.945 0 40 DFAB CC(=O)c1cccc(OCC(=O)Nc2nc3c(s2)CCC3)c1 15636672 WEHPVGXZMOKFEX-UHFFFAOYSA-N 316.382 2.852 0 40 DFAB Cc1cc(C[C@@H]2COC[C@H]2NCc2ccccc2Cl)on1 19120673 KOCMDAPAVDWYPR-CZUORRHYSA-N 306.793 2.984 0 40 DFAB CCC(=O)NC(=S)Nc1ccccc1-c1ccc(C(=O)O)o1 226350320 BGZFSAITSKEEKQ-UHFFFAOYSA-N 318.354 2.868 0 40 DFAB Cc1csc2c(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)ncnc12 1889111331 MZDASSJUQIEXGA-CHWSQXEVSA-N 314.458 2.920 0 40 DFAB CCOc1ncccc1CNC(=O)c1ccc2ccccc2n1 31323340 HOVWDGLOUCWIPH-UHFFFAOYSA-N 307.353 2.959 0 40 DFAB CC[C@H]1CO[C@]2(CCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1565547033 MKWIOFVKZNRATI-RDTXWAMCSA-N 313.401 2.674 0 40 DFAB CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21 5741492 CDTRHIYZZLBSAV-OAHLLOKOSA-N 301.367 2.568 0 40 DFAB CN1C(=O)CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 8962429 RTHYYJSFSYUIJP-UHFFFAOYSA-N 322.430 2.670 0 40 DFAB c1cnc2ncnc(NC[C@H](c3ccsc3)n3cccn3)c2c1 1775971791 UWXQGLIDZIWXNJ-CQSZACIVSA-N 322.397 2.984 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1c(O)c2ccccc2[nH]c1=O 12414642 JNDFKGCCUWGBDI-UHFFFAOYSA-N 312.300 2.934 0 40 DFAB COc1cccc(COCC(=O)NCCc2cccs2)c1 40107238 SMVQTHKAOBUVAX-UHFFFAOYSA-N 305.399 2.632 0 40 DFAB CCc1cc2c(=O)n([C@H](C)C(=O)O[C@H](C)CC)cnc2s1 148845 AUMBZLVWPXODJN-NXEZZACHSA-N 308.403 2.923 0 40 DFAB CCN1c2ncccc2NC(=O)c2cc(Br)cnc21 13458 WTTXVIRIPXYRIW-UHFFFAOYSA-N 319.162 2.963 0 40 DFAB C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 17323156 RROPPHJUWJRYTO-ZDUSSCGKSA-N 317.410 2.722 0 40 DFAB CC(C)(C)NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 797131 NOVHPHNEVLAIPU-UHFFFAOYSA-N 315.402 2.513 0 40 DFAB Cn1c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nnc12 1647480 VXTDTHPWHFINPR-UHFFFAOYSA-N 310.744 2.902 0 40 DFAB COc1cccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 4133602 NTGCURASHQAGLR-DAYGRLMNSA-N 314.429 2.642 0 40 DFAB O=C(CNCc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1 4969241 QPBVRXNDTIAUCC-UHFFFAOYSA-N 318.760 2.767 0 40 DFAB CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 329571 LVULEVTURKCEMW-ZDUSSCGKSA-N 315.295 2.581 0 40 DFAB COc1cc(C)cc(C(=O)C2=NNC[C@@H]2c2ccccc2)c1O 6484306 XZNWSHLSVOUMIA-CQSZACIVSA-N 310.353 2.635 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H](Cn2cncn2)C1 69628467 JIZRGXDBWPBNNF-IKGGRYGDSA-N 306.454 2.585 0 40 DFAB COc1ccc(NCc2cc(OC)c(OC)cc2OC)cn1 83962650 IQLMIXJXILEVKL-UHFFFAOYSA-N 304.346 2.728 0 40 DFAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H](O)C2)cc1 32668176 MAENVEGKYOHJOG-SFHVURJKSA-N 310.397 2.896 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2NC1=O 32772958 UZXKFJLKUPXLMY-SSDOTTSWSA-N 305.721 2.640 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)c1sc2cccc(F)c2c1C 32739339 KVABPQSIFKJAJZ-SNVBAGLBSA-N 322.405 2.993 0 40 DFAB Cc1nc2c(Nc3cnc(-c4ccccc4)nc3)ncnc2[nH]1 57279831 GUDNSISMSXTKEE-UHFFFAOYSA-N 303.329 2.862 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccsc2)cc1C 21935789 RCSCTZJDCFBWLI-UHFFFAOYSA-N 316.426 2.753 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2N(C)C1=O 12127614 YQWLJQCXZWMELK-JTQLQIEISA-N 314.316 2.822 0 40 DFAB COc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1 28223950 XUBZJQKQXBFCAC-VIFPVBQESA-N 324.178 2.854 0 40 DFAB Cc1cc(C)c2cc(C(=O)N[C@@H](C(N)=O)c3ccccc3)[nH]c2c1 54704390 SSZXEVNJPVKSBU-QGZVFWFLSA-N 321.380 2.741 0 40 DFAB Cc1cccc(N(CC(=O)N2CCNC2=O)Cc2ccccc2)c1 24575628 DEPRDDIDSYVACA-UHFFFAOYSA-N 323.396 2.553 0 40 DFAB COCc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccccc2)n1 1388914 CXNUJSZIOHGAHF-ZIAGYGMSSA-N 313.401 2.904 0 40 DFAB C[C@@H](OC(=O)c1ccc[nH]1)C(=O)Nc1ccc(OC(F)F)cc1 12567791 DDLDARAEIMGYTO-SECBINFHSA-N 324.283 2.800 0 40 DFAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(c3ccccn3)C2)o1 47815922 MQDPCGVEOIDUOD-OAHLLOKOSA-N 313.401 2.858 0 40 DFAB COC(CN(C)CC(=O)c1c(C)[nH]c2cc(C)ccc12)OC 35465779 JZOXHLIFEVMMGI-UHFFFAOYSA-N 304.390 2.518 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 20250685 SNSZXVJOOZLWPS-NSHDSACASA-N 316.332 2.591 0 40 DFAB COc1ccc(CCC(=O)N[C@@H](C)c2ccncc2)cc1OC 27404087 KQKPGWBOXVXLDM-ZDUSSCGKSA-N 314.385 2.909 0 40 DFAB N=C(NCc1ccccc1)NCc1ccc(Cn2cccn2)cc1 58185161 FRUYAPCSGSDOSN-UHFFFAOYSA-N 319.412 2.746 0 40 DFAB [O-][n+]1cccnc1COc1ccc(Cl)cc1Br 58157944 CNTKBEALYHHOMH-UHFFFAOYSA-N 315.554 2.710 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cnn(Cc3cccnc3)c2)c1 58228444 YODUYTWVDKBCLJ-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1Cl 48302423 GBHNBPFHPLNRLB-VXGBXAGGSA-N 305.765 2.824 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c(O)c1 3494421 IWOAZRZGRGEQPS-UHFFFAOYSA-N 321.279 2.774 0 40 DFAB C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)O 3887633 MIHKCDODXVZNNR-SSDOTTSWSA-N 324.427 2.570 0 40 DFAB COCCCn1c(SC)nc2sc3c(c2c1=O)CCC3 4169100 AWPYILLIZKMFLC-UHFFFAOYSA-N 310.444 2.705 0 40 DFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 5114999 IDJLEPWAHMWKGU-XJKCOSOUSA-N 319.401 2.793 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)cc1 14071522 KWWPXUZPSYTBQV-NRFANRHFSA-N 301.411 2.804 0 40 DFAB CC(C)NC(=O)CCCC(=O)NCc1nc2ccccc2s1 65522460 MOURMQQFILRAOY-UHFFFAOYSA-N 319.430 2.607 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)N(C)C1CCN(C)CC1 69809450 QBKQIUVRVMIMMJ-UHFFFAOYSA-N 313.401 2.816 0 40 DFAB CCC(C)(CC)NC(=O)COc1nn(C)c2nc(C)cc(C)c12 69871575 RQWLFGMDXHXSNY-UHFFFAOYSA-N 318.421 2.659 0 40 DFAB COc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]2C)N2CCCC2)cc1 22515999 LKSWKIDHUNZFDW-RRQGHBQHSA-N 302.418 2.604 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1cccc(Cl)c1 218484864 RRKCNSQBLRZYAH-HRCADAONSA-N 322.813 2.888 0 40 DFAB COc1c(Br)cccc1CN[C@H]1CCO[C@@H]1C 90230349 GMQJRRJKIDCUPS-SKDRFNHKSA-N 300.196 2.725 0 40 DFAB CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)C2CC2)no1 96000611 NVSHUOZEWASSFH-GFCCVEGCSA-N 313.423 2.602 0 40 DFAB CCC[C@](C)(NC(=O)c1ccc(OC)c(COCC)c1)C(=O)O 89949437 XUWFIAPZOSUZPR-KRWDZBQOSA-N 323.389 2.605 0 40 DFAB CCOC(=O)N[C@H]1CCCN(CCCSCC(C)C)C1 89984747 IQXUKKJPBNRNKS-AWEZNQCLSA-N 302.484 2.976 0 40 DFAB COc1ccc(CC(=O)NCC2(N(C)C)CCCCC2)cc1 9460047 KXPRJXGLEKZSFV-UHFFFAOYSA-N 304.434 2.618 0 40 DFAB O=C1CCc2cc(C(=O)COc3cccnc3Cl)ccc2N1 72293315 CSMVJTIQUVBUQU-UHFFFAOYSA-N 316.744 2.881 0 40 DFAB C[C@@H](c1cccnc1)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 71840959 HZAZSGMGDLXFFI-LBPRGKRZSA-N 307.353 2.756 0 40 DFAB Cc1n[nH]cc1CNC1CCN(Cc2ccccc2F)CC1 71819618 SJIKCCWBWMZKBC-UHFFFAOYSA-N 302.397 2.611 0 40 DFAB COCc1ccccc1C(=O)N1CCCC[C@@H](N2CCCC2)C1 71886359 HSVAZRYFMPRSJM-QGZVFWFLSA-N 316.445 2.924 0 40 DFAB COC(=O)c1ccc(NCC23CC4CC(CC(C4)C2)C3)nn1 83895820 NQQUJDBBJRUTJB-UHFFFAOYSA-N 301.390 2.892 0 40 DFAB Cc1csc(C2(NC(=O)Cc3cc(C)on3)CCCC2)n1 71907532 DTDNFUOKUIBTSC-UHFFFAOYSA-N 305.403 2.876 0 40 DFAB O=C(CNC(=O)c1ccccc1OC1CCC1)Nc1ccccc1 71911011 NQEXEGODRNNBRT-UHFFFAOYSA-N 324.380 2.986 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 72235666 ZUZMHAWCXABQCX-AWEZNQCLSA-N 316.405 2.836 0 40 DFAB CC(C)(NCC(=O)NCc1cccnc1)c1cccc(Cl)c1 97033517 UEKNGIOLSVYSDA-UHFFFAOYSA-N 317.820 2.876 0 40 DFAB O=C(CCCc1ccc(F)c(F)c1)N[C@H]1CCC[C@H]1C(=O)O 97035650 BRPIJZGLWKSIOP-RISCZKNCSA-N 311.328 2.657 0 40 DFAB COC[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1 97033210 GHARJAIVGGHHAD-INMHGKMJSA-N 304.434 2.753 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)nn1C(C)(C)C 76051697 XZQZEYZGLYQCMC-CJNGLKHVSA-N 320.481 2.784 0 40 DFAB CCOC[C@H]1CCN(C(=O)Nc2ccc(C)c3cn[nH]c23)C1 97212796 BZJZDWCSKHCLGN-LBPRGKRZSA-N 302.378 2.762 0 40 DFAB CNC(=O)CN(Cc1ccc(Cl)nc1)c1ccccc1C 72597247 YHCMDMPYEBAEEE-UHFFFAOYSA-N 303.793 2.796 0 40 DFAB O=C(CCn1ccccc1=O)Nc1cc(Cl)c(Cl)cn1 76091325 GRXBUYZGVMPLAB-UHFFFAOYSA-N 312.156 2.579 0 40 DFAB O=C(CCCn1ccnc1)Nc1ccc(-n2cccn2)c(F)c1 95377520 PCLAFRKHFBMRSE-UHFFFAOYSA-N 313.336 2.627 0 40 DFAB CC(C)c1nccn1CCC(=O)Nc1ccc(CCO)cc1 95417566 YRSVUKKWEYMCTO-UHFFFAOYSA-N 301.390 2.570 0 40 DFAB O=C(NCCCOc1ccc2ccccc2c1)c1csnn1 95417017 AAWVUUBHMPWSGP-UHFFFAOYSA-N 313.382 2.890 0 40 DFAB CN(C)c1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)o1 95447282 GVKUKZWBBOBHHI-ZIAGYGMSSA-N 312.373 2.787 0 40 DFAB Cc1ccc(NC(=O)C(=O)N(C)Cc2cccnc2)cc1Cl 95461137 VQVAWHLCQGZGNM-UHFFFAOYSA-N 317.776 2.641 0 40 DFAB CCc1ccccc1NC(=O)C(=O)Nc1c(C)nn(CC)c1C 95455043 IEYQLZSUOMBSAH-UHFFFAOYSA-N 314.389 2.659 0 40 DFAB COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccnc(F)c2)cc1 95458894 RGQTUCONVLLPFZ-BZNIZROVSA-N 318.348 2.735 0 40 DFAB CC(C)S(=O)(=O)CCN1CCC[C@@H]1CC(=O)c1ccccc1 95965465 JYYUIACOLLNFGQ-MRXNPFEDSA-N 323.458 2.547 0 40 DFAB Brc1cc(CNc2nncs2)cc2c1OCO2 95976637 DJGIPXVOQZJKOQ-UHFFFAOYSA-N 314.164 2.641 0 40 DFAB C[C@@H](O)CCN(C)C(=O)N[C@H](C)c1cc(F)c(F)c(F)c1 95971264 UNLIYKOBFLNJPT-RKDXNWHRSA-N 304.312 2.577 0 40 DFAB CCC1(CC)[C@H](NC(=O)c2ccc3[nH]cnc3c2)C[C@H]1OC 95970892 QLRDRUGJSMUIBZ-HUUCEWRRSA-N 301.390 2.886 0 40 DFAB Cc1cc(Cl)cc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 95966919 JFFJNQWHTPBITR-UHFFFAOYSA-N 318.808 2.927 0 40 DFAB COC(=O)[C@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1 89370978 OEVWTQTWXQGURZ-CYBMUJFWSA-N 322.723 2.518 0 40 DFAB COc1ccc(OC)c([C@@H](O)CNc2ccncc2Cl)c1 89432552 XUFGGJZRNJADTG-AWEZNQCLSA-N 308.765 2.898 0 40 DFAB Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H](C)C1CCC1 89536949 USRQRODVNKDBOC-LBPRGKRZSA-N 318.421 2.537 0 40 DFAB Cc1ccc(OCC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1C 28295318 XLVAXEJEYWVORY-IXDOHACOSA-N 307.434 2.542 0 40 DFAB COC(=O)[C@H](c1ccc(F)cc1)N(C)Cc1csc(C)n1 78393972 OSEYDIIHVCEIRJ-AWEZNQCLSA-N 308.378 2.937 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)NC[C@H]2CCOC2)c1 78611643 METXWCBHUZQEDG-GFCCVEGCSA-N 308.378 2.640 0 40 DFAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 33860514 MNTKMXKOMXRDDB-UHFFFAOYSA-N 319.382 2.939 0 40 DFAB Cc1c(Cl)ccnc1CS(=O)(=O)c1nc2ccccc2[nH]1 35643785 ACKATQAAEKWYKV-UHFFFAOYSA-N 321.789 2.894 0 40 DFAB in-vitro O=S(=O)(Nc1cccnc1)c1cccc(Br)c1 33897762 VDYATCDPHQCRCL-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB O=C(NC1CCC(O)CC1)N(Cc1ccc(F)cc1F)C1CC1 78408690 NIZJLHYMHNQSEK-UHFFFAOYSA-N 324.371 2.942 0 40 DFAB Cn1nc2c(c1NC(=O)c1cccc3c1ccn3C)CSC2 71283236 DFSZMNDFQXNXEZ-UHFFFAOYSA-N 312.398 2.911 0 40 DFAB O=C1N[C@@H](c2ccccc2)c2ccccc2/C1=C/N1CCOCC1 35182978 XJRGCHUHMPNDCL-BSKAQADGSA-N 320.392 2.579 0 40 DFAB COCC(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2)n1 72362333 OULFCEDZXUKFLR-HNNXBMFYSA-N 313.357 2.579 0 40 DFAB O=C(O)C[C@H](CC(=O)Nc1ccon1)c1ccc(Cl)cc1 223107976 HIFSVPBQLSHLAX-JTQLQIEISA-N 308.721 2.915 0 40 DFAB COc1ncc(COc2cc(F)cc(F)c2C(C)=O)c(C)n1 225572019 JKDPOXZZMBCWSL-UHFFFAOYSA-N 308.284 2.853 0 40 DFAB Cc1nnc(N2CCN(Cc3sccc3Cl)CC2)nc1C 225625571 HFJGHNFSOJRWJA-UHFFFAOYSA-N 323.853 2.526 0 40 DFAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CC1 227158877 LSAQWGFOJRFSPN-JTQLQIEISA-N 305.765 2.572 0 40 DFAB COc1ccc2c(c1I)CCCC2=O 95093620 ADSKUECQOUAYQU-UHFFFAOYSA-N 302.111 2.819 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cc(C)no2)C[C@@H]1Cc1ccccc1 96110198 VWMFXITXHMOEOW-JKSUJKDBSA-N 314.385 2.703 0 40 DFAB COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1nccc3ccccc13)C2 96501400 XIFNWASLXWYBHC-IFXJQAMLSA-N 324.380 2.650 0 40 DFAB CCSc1cncc(NC[C@@H]2CCN(CC(F)(F)F)C2)n1 96462037 USVBFRMOTCAWGC-JTQLQIEISA-N 320.384 2.885 0 40 DFAB O=C(NCCc1ccncc1)c1ccnc(OC2CCCC2)c1 252508076 XCAHKIXPZUEDFZ-UHFFFAOYSA-N 311.385 2.771 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@H]2CCCN2C)n1 257237265 HFUOYSSJFRFALZ-QGZVFWFLSA-N 324.428 2.824 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257279125 OFCWULGGUOHGPH-QGZVFWFLSA-N 321.384 2.947 0 40 DFAB O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)c1cccs1 262358573 CPLMRTQTTKBYFF-MCIONIFRSA-N 315.394 2.869 0 40 DFAB CN(C)c1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1 366997701 NYZNYZNBHMVELZ-KRWDZBQOSA-N 312.417 2.854 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)NC2CCCCC2)c1 44108227 XPAHWZMIQIYUTA-UHFFFAOYSA-N 305.378 2.726 0 40 DFAB O=C(Cn1c(-c2ccccc2)noc1=O)c1c[nH]c2ccccc12 68554147 ZQWYFULZYFYQKR-UHFFFAOYSA-N 319.320 2.868 0 40 DFAB Fc1ccc2ncnc(NCc3ccnc(-n4cccn4)c3)c2c1 77303738 IWBRRUQGVYOMIK-UHFFFAOYSA-N 320.331 2.962 0 40 DFAB CO[C@@H](C)c1nc(CSc2nnc(N)n2C(C)C)cs1 96447736 UFPGAXQCDIYQMQ-QMMMGPOBSA-N 313.452 2.897 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 5602627 SWOSIYZIOWXDJS-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB Cn1ccnc1[C@H](NC(=O)N1CCCC1)c1ccc(F)c(F)c1 12221705 WLWWIOFQCALWNL-CQSZACIVSA-N 320.343 2.593 0 40 DFAB CC[C@H](CN1CCCC1)NC(=O)Cc1ccc(OC)c(C)c1 12362905 KFRXXBYYWADXGA-MRXNPFEDSA-N 304.434 2.537 0 40 DFAB CCCN1C(=O)N[C@@H](c2ccc(F)cc2F)C(C(=O)OC)=C1C 12946312 OBIGPYTWZWTBKG-AWEZNQCLSA-N 324.327 2.888 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1ccc2c(c1)CCCO2 19458859 YULZEEGNBIZDKV-RISCZKNCSA-N 317.385 2.531 0 40 DFAB O=C(C1CC1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 4583526 ZTUUOICUECUANS-UHFFFAOYSA-N 323.368 2.633 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1Br 7138888 BSQJZYHGSAZADT-VIFPVBQESA-N 321.174 2.628 0 40 DFAB Cc1ccc(OC[C@@H]2CCN(C(=O)NC3CCCCC3)C2)nn1 1888849865 DCRBVDSVNPJSGH-CQSZACIVSA-N 318.421 2.528 0 40 DFAB O=C(CSc1nc2ccccc2s1)N1CCC(CO)CC1 37896283 XUEUIQIKKSMKBQ-UHFFFAOYSA-N 322.455 2.619 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CN1C 1565542862 YJNAPMCPWABAPQ-WMZOPIPTSA-N 320.477 2.692 0 40 DFAB CCCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1 9659384 ZPKUHSYCSCDTDE-UHFFFAOYSA-N 321.402 2.837 0 40 DFAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(c3ncccn3)C[C@H]21 2053600807 ZNDMEKYWEMTVBW-KZNAEPCWSA-N 323.444 2.609 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@H](c1ccco1)n1cccn1 575612900 CZAQUCZPLATTEQ-ISZGNANSSA-N 313.382 2.957 0 40 DFAB CC(C)[C@H](Cn1cncn1)NC(=O)C12CC3CC(CC(C3)C1)C2 575617144 PRVBSVBBRAJGBQ-KUNBBXKYSA-N 316.449 2.635 0 40 DFAB O=c1cc2c(nn1CC1CCN(Cc3ccccc3)CC1)CCC2 585502894 QFYPRHCMMIZDRU-UHFFFAOYSA-N 323.440 2.644 0 40 DFAB CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1 366997702 NYZNYZNBHMVELZ-QGZVFWFLSA-N 312.417 2.854 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1cccc(Cl)c1 100537664 QRZWZSAHUUMHES-TXFQPVFDSA-N 302.761 2.517 0 40 DFAB CCC(=O)NCc1ccc(OCc2cccnc2)c(OC)c1 31712110 NWDHZVWKUMULAF-UHFFFAOYSA-N 300.358 2.695 0 40 DFAB O=C1CCCN1c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 40555655 JWLCWQMNNCQUDC-UHFFFAOYSA-N 311.366 2.778 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)N(C)c1nccs1 40516292 WKCAGYGSRRRTJM-UHFFFAOYSA-N 304.371 2.560 0 40 DFAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCCNC(=O)C1CC1 40536041 DVRHBBONKRCPOC-LBPRGKRZSA-N 322.836 2.694 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@H]2N 1857795283 CPNKFWQTLWHDPO-CUZKMJQKSA-N 305.462 2.608 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccs2)CC1 66532 GPRYFZGXYOKBLX-UHFFFAOYSA-N 310.419 2.877 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 101158 RLXXDPJLHJFDGP-OAHLLOKOSA-N 324.380 2.682 0 40 DFAB Cc1cnc(NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)s1 89702432 FGYGKWIZNQWJEP-SECBINFHSA-N 323.340 2.619 0 40 DFAB CC[C@H](C(=O)O)n1cc(Br)c(C(F)(F)F)n1 2537838 IOZRYBVEBFELCA-RXMQYKEDSA-N 301.062 2.700 0 40 DFAB CCCNC(=O)COC(=O)CCCc1nc2ccccc2s1 3380745 NVVANJPXFGEBAW-UHFFFAOYSA-N 320.414 2.688 0 40 DFAB O=C(NCCc1ccccc1)c1cccc(N2CCCC2=O)c1 4991560 FIPBIEBTHQWSCH-UHFFFAOYSA-N 308.381 2.786 0 40 DFAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccco2)N(C)C3=O)c1 6747823 CKQSIWMJSWLPOU-INIZCTEOSA-N 309.325 2.853 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2)cc1 7982160 QRBZVCRQHWVHKQ-UHFFFAOYSA-N 308.330 2.586 0 40 DFAB Cc1nn(C)c(C)c1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 21520507 PWTSMFRGLHKGTM-SNVBAGLBSA-N 307.419 2.614 0 40 DFAB FC(F)(F)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1 89787623 KSTDMWHWYXENIY-HNNXBMFYSA-N 314.351 2.612 0 40 DFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCCc2ccccc21 69492538 UTSKWJDDXFJKRK-UHFFFAOYSA-N 319.368 2.645 0 40 DFAB CN1CCOc2ccc(NC(=O)c3ccc(F)cc3)cc2C1=O 9828055 IXNUIGBAJJLXKF-UHFFFAOYSA-N 314.316 2.542 0 40 DFAB O=C(/N=c1/sccn1Cc1ccccc1)c1cc(C2CC2)[nH]n1 103047274 KIGOBNGLZRFULJ-ISLYRVAYSA-N 324.409 2.940 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2CCOc2cccc(F)c2)n1 69490336 NKLPBGIJNXZDRO-INIZCTEOSA-N 318.396 2.577 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(C(N)=O)cc2)o1 53175253 GTRMUKYURCJNSF-MHGNPFJOSA-N 324.380 2.832 0 40 DFAB CN(CN1C(=O)CC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 22758514 BYYGPGQETFTIIV-INIZCTEOSA-N 312.413 2.883 0 40 DFAB COCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 23043407 YNMKDFGRWPEHQJ-ZDUSSCGKSA-N 312.369 2.763 0 40 DFAB CO[C@H](C(=O)N[C@@H](c1nccc(C)n1)C1CC1)c1ccccc1 96004030 FEWXOUSFZQGPBK-CVEARBPZSA-N 311.385 2.740 0 40 DFAB COCCNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 23977211 PCSBMFGVCSPDDP-UHFFFAOYSA-N 315.797 2.760 0 40 DFAB CC(C)(C)OC(=O)NC1(CN)CCN(Cc2ccccc2)CC1 96102468 QOIZKNIWRBIXPY-UHFFFAOYSA-N 319.449 2.505 0 40 DFAB in-vitro CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(N)=O 113960260 ZYNOILZQLWJZKI-CQSZACIVSA-N 316.332 2.721 0 40 DFAB CCO[C@H](C)c1nc(CN2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cs1 110648969 BVUOCIIAVQVLJN-TVKJYDDYSA-N 308.447 2.850 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 35153306 QSLUZWCQKYNQPK-CYBMUJFWSA-N 309.793 2.684 0 40 DFAB O=C(NC1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 57176030 LUPRKUVCHMSLOS-UHFFFAOYSA-N 306.409 2.986 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H](C)CCC(C)C 44180133 RHZZWJXAUFERRM-ZDUSSCGKSA-N 305.422 2.921 0 40 DFAB CN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)N(C)C 44891266 MGBNEFUNSGHYQX-CYBMUJFWSA-N 307.419 2.785 0 40 DFAB O=C(NC[C@H](NC(=O)c1ccccc1)C1CC1)c1ccccc1 58246585 AUIQOJUGHREKNE-KRWDZBQOSA-N 308.381 2.625 0 40 DFAB O=C(c1ccc(NC2CC2)nc1)N(Cc1ccccn1)C1CC1 58296946 MNOUUUCTXCSUGO-UHFFFAOYSA-N 308.385 2.856 0 40 DFAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccnc1 58267130 VPUAPIBAUVQCGJ-ZDUSSCGKSA-N 315.804 2.991 0 40 DFAB c1ccc(C2(CNc3ncnc4[nH]cnc34)CCOCC2)cc1 44975856 YNVSVFSZWONUSP-UHFFFAOYSA-N 309.373 2.513 0 40 DFAB O=C(NCc1ccc(Cl)s1)N[C@H]1CCN2CCCC[C@H]12 44971208 XDZATMPGDRCZGL-NWDGAFQWSA-N 313.854 2.828 0 40 DFAB CC(C)(CNC(=O)c1cnn2cccnc12)c1ccccc1F 58323877 LSXIXHSQMABKGJ-UHFFFAOYSA-N 312.348 2.576 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(C(=O)O)c1 58364596 UPCPGTXLKDVEGJ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)CC(=O)N2 58398741 HHCFCKFLWWKESM-VIFPVBQESA-N 311.341 2.538 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCN(C2CCCC2)CC1 45083694 KYTSFBYQMJOMCY-UHFFFAOYSA-N 309.413 2.935 0 40 DFAB Cc1csc(N(C)C(=O)c2ccc(Cn3cccn3)cc2)n1 36396743 PATUEZQPOKTGAX-UHFFFAOYSA-N 312.398 2.973 0 40 DFAB Cn1cnn(CN2CCC(Cc3ccccc3)CC2)c1=S 3258243 JZVFFVFHBLHNBM-UHFFFAOYSA-N 302.447 2.863 0 40 DFAB CCc1ccc(C(=O)n2c(N)c(C(N)=O)c3ccccc32)cc1 28535343 UXRXZKJRJPPAND-UHFFFAOYSA-N 307.353 2.573 0 40 DFAB Cc1nc(CCNC(=O)N2CCC[C@H]2c2ccncc2)cs1 45488317 XNJBRALMGNKFHW-HNNXBMFYSA-N 316.430 2.936 0 40 DFAB CN(C)CCNC(=S)Nc1ccc(SC(F)F)cc1 3355012 WLFJRNNGPPMKHT-UHFFFAOYSA-N 305.419 2.849 0 40 DFAB CCCNC(=O)CSc1nnc2cc(C)c3ccccc3n12 3495934 VPTAKUFTIIBMBX-UHFFFAOYSA-N 314.414 2.809 0 40 DFAB Cc1[nH]c(C(=O)NCc2ccccn2)c(C)c1C(=O)OC(C)C 9322077 NCXDSANGOJMJCN-UHFFFAOYSA-N 315.373 2.522 0 40 DFAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)n2cncn2)o1 110633005 RXKBHKQZSLLYCY-YDHLFZDLSA-N 316.405 2.994 0 40 DFAB O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1 69652748 WXQRNFCTWANQFS-HNNXBMFYSA-N 301.390 2.599 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc2c(c1)OCO2 4469484 FEJLUAYKXRQOCA-UHFFFAOYSA-N 316.357 2.560 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2C)C1=O 4548217 XARDTQFBVBQTDO-GJSJWPQCSA-N 319.382 2.983 0 40 DFAB CCn1c(=O)n(Cc2nc(-c3ccccc3)no2)c2ccccc21 14713071 BJHUHZCLQWUEDV-UHFFFAOYSA-N 320.352 2.921 0 40 DFAB Cc1n[nH]c(SCc2cc(=O)c3c(C)ccc(C)c3[nH]2)n1 21943542 LWYIELFUYLFHKL-UHFFFAOYSA-N 300.387 2.864 0 40 DFAB Cc1nc(NC(=O)C(C)(C)F)ccc1I 92869514 QQSIEPAOSDKXIO-UHFFFAOYSA-N 322.121 2.681 0 40 DFAB Cn1cnnc1SCc1nc(-c2cccc(Cl)c2)no1 7722444 GEKUFLGBIHJMDJ-UHFFFAOYSA-N 307.766 2.811 0 40 DFAB Cc1ccc(S(=O)(=O)c2ncoc2N2CCCCC2)cc1 16310762 KZLBZQUHKUCQOL-UHFFFAOYSA-N 306.387 2.806 0 40 DFAB O=CNc1ccc(C(=O)NC2(c3ccccc3)CCOCC2)cc1 81386739 NZEUCPFNLKHPLR-UHFFFAOYSA-N 324.380 2.691 0 40 DFAB CC(C)[C@@H](N)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 8236128 VYDCCEHCQXGRKO-GFCCVEGCSA-N 321.837 2.945 0 40 DFAB COc1ccccc1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 9112468 ZQYHZNOFSZQWBG-UHFFFAOYSA-N 324.380 2.769 0 40 DFAB O=C1C[C@H](c2nc(-c3ccccn3)no2)CN1c1ccccc1 9317966 JTQZWBALQPSIPV-LBPRGKRZSA-N 306.325 2.652 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1(C)C 96418949 HNGZQUPCUSYGDH-JKSUJKDBSA-N 318.417 2.921 0 40 DFAB Cc1noc(C2CCN(C(=O)CCc3cccs3)CC2)n1 71817158 HMUUIZRHOBDTGV-UHFFFAOYSA-N 305.403 2.778 0 40 DFAB CCn1cnnc1CNC(=O)C1(c2cccc(C)c2)CCCC1 71855241 HCXRNAJSHBOBLA-UHFFFAOYSA-N 312.417 2.735 0 40 DFAB COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C 19942878 QFSZVGRULBOARL-TXEJJXNPSA-N 311.447 2.979 0 40 DFAB CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCc2[nH]ncc2C1 71903026 LUBUTONAZBCZLS-UHFFFAOYSA-N 319.792 2.805 0 40 DFAB CN(CCc1cccs1)C[C@@H]1CCCN1c1cccnn1 75584882 NSPGUACRNGCVBC-AWEZNQCLSA-N 302.447 2.681 0 40 DFAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1C[C@@H]1c1ccco1 96999591 ISULCYLBCKXHNC-JKSUJKDBSA-N 324.380 2.826 0 40 DFAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)CNc2cccc(F)c2)C1 72289297 GFRLDBDYIDUFPJ-QLFBSQMISA-N 321.440 2.720 0 40 DFAB Cc1occc1-c1cc(N[C@H]2CCCSC2)n(CCO)n1 97084739 VWMMGVJGTOXEDO-LBPRGKRZSA-N 307.419 2.751 0 40 DFAB C/C=C/CS(=O)(=O)C[C@@](C)(O)c1cccc(C(F)(F)F)c1 97034893 KLMMULARRDUNBS-ITDFMYJTSA-N 322.348 2.904 0 40 DFAB O=C(NCCc1ccc(O)cc1)Nc1cccc2c1OCCO2 84358565 ATCGFHNFIHDCHS-UHFFFAOYSA-N 314.341 2.528 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)NCCCn1ccnc1C 95399881 TVMWKDDSBPUKEI-ZIAGYGMSSA-N 310.467 2.555 0 40 DFAB C[S@](=O)CCNCc1cc(Br)ccc1Cl 95425775 SQBZBBKCRWUPSR-OAHLLOKOSA-N 310.644 2.571 0 40 DFAB O=C(CCn1cccn1)NCC1(c2ccccc2Cl)CC1 95449181 VRUVLBYXHGDGQJ-UHFFFAOYSA-N 303.793 2.775 0 40 DFAB CN(Cc1nnc2ccccn12)c1nnc(C(C)(C)C)s1 95415898 MDHJCSNAHWHQEC-UHFFFAOYSA-N 302.407 2.515 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCCc2cccs2)C1 77733970 KZLGICMWJFAVKR-GFCCVEGCSA-N 324.446 2.664 0 40 DFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCCc1ccccn1 88268351 BPIIZWJBSKSUKQ-CVEARBPZSA-N 318.417 2.642 0 40 DFAB Cc1noc(-c2nc(-c3cccc(Br)c3)no2)n1 98212311 AXWMJBLDLCWWNB-UHFFFAOYSA-N 307.107 2.858 0 40 DFAB CO[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cncn3)cc2C)C1 78948116 AMSVAMKEOZRMKA-LSDHHAIUSA-N 315.373 2.690 0 40 DFAB Cn1cc([C@](C)(O)CN[C@@H]2CCc3cc(Cl)ccc32)cn1 95968405 CQJBYOLSOWDGMF-HZPDHXFCSA-N 305.809 2.558 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C(C)C)on1 89279989 KCBUFIBDWKGRJX-UHFFFAOYSA-N 319.409 2.978 0 40 DFAB CCN1CCN(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)CC1 79216375 DJJCJZRHWUSQBK-OAHLLOKOSA-N 319.449 2.882 0 40 DFAB Cc1nn(C)cc1CCC(=O)NC[C@H](c1cccnc1)C(C)C 75107329 BSDJMPXOQZLNIA-KRWDZBQOSA-N 314.433 2.612 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 79592322 HYSVEKUBEGXLFT-KXBFYZLASA-N 308.381 2.536 0 40 DFAB Cc1nc(-c2ccc(Cl)c(Cl)c2)[nH]c(=O)c1CC(=O)O 22124156 RAUIHRDGDKTKRV-UHFFFAOYSA-N 313.140 2.679 0 40 DFAB CC[C@]12OC(=O)CN1N(C(=O)C(C)C)c1ccccc1[C@@H]2C 38337643 GZCNHJAIDILMIB-YVEFUNNKSA-N 302.374 2.673 0 40 DFAB O=C(NCCCOCC1CC1)Nc1cnn(-c2ccccc2)c1 78043188 NMTRYLKPGFCBAU-UHFFFAOYSA-N 314.389 2.811 0 40 DFAB CSc1ccccc1NC(=O)CCN1CCCC[C@H]1CCO 72275086 ZIDHRWHPAGLXJV-AWEZNQCLSA-N 322.474 2.974 0 40 DFAB CCc1nc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)no1 72279241 OJIXARYGAHIKKQ-GFCCVEGCSA-N 309.373 2.959 0 40 DFAB COC(=O)[C@@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957967 QMERFPLVXHPTQQ-AUUDPHHASA-N 305.418 2.613 0 40 DFAB Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)nc2)c1 72598619 AMQGGDVCZSARKQ-UHFFFAOYSA-N 303.793 2.925 0 40 DFAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(C(=O)O)nn1 563207939 YTDNLGUGSGKFJW-CMPLNLGQSA-N 301.321 2.696 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)Cc1cnccn1 80471814 WTLHIIHPGLMOTK-LLVKDONJSA-N 318.352 2.527 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 195537273 SDJWHVCKGXCUJY-BYNSBNAKSA-N 313.511 2.642 0 40 DFAB CC(C)Oc1c(Cl)cccc1NC(=O)NCC[S@](C)=O 96434999 PHHDHHHTXNXPGC-HXUWFJFHSA-N 318.826 2.627 0 40 DFAB COc1ccc2c(C(=O)O)c(F)c(Br)nc2c1 90548433 KCCQVWFFIIYDEH-UHFFFAOYSA-N 300.083 2.843 0 40 DFAB CCOC(=O)c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)c[nH]1 97228419 KKAOPBYGBCXNIH-CQSZACIVSA-N 305.378 2.988 0 40 DFAB Brc1cnc2[nH]ccc2c1I 95830909 WJZKOWKFWMBLLY-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB C[C@@H](Cn1nnc(-c2ccc(C(N)=O)cc2)n1)C1CCCCC1 338534376 JJDFBLYWPKMSRK-LBPRGKRZSA-N 313.405 2.655 0 40 DFAB COc1ccc(NCc2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1 95534112 VUULVZFUFWSDOS-KRWDZBQOSA-N 323.400 2.782 0 40 DFAB COc1cccc(NCCc2nc([C@@H](N)c3ccccc3)n[nH]2)c1 95533427 RYOZSFVFTZBUMI-KRWDZBQOSA-N 323.400 2.516 0 40 DFAB COC[C@H]1CN(Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 96060451 NNQSQTRDWGYRLM-OAHLLOKOSA-N 315.417 2.940 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1ccc(F)cc1F 96405881 VYNMFPBDZYVWJA-HOTGVXAUSA-N 320.383 2.811 0 40 DFAB CO[C@@]1(CNC(=O)Nc2ccccc2Cl)CCSC1 96097772 JVLGARAOELKGRH-CYBMUJFWSA-N 300.811 2.984 0 40 DFAB CCC[C@@H](N)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 246045215 XOCVICUQYYPUGB-NVXWUHKLSA-N 309.498 2.617 0 40 DFAB CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn2nccc12 257206534 BDWUEGLVSATYCF-GFCCVEGCSA-N 315.421 2.523 0 40 DFAB C[C@@H](NC(=O)N[C@H]1CCCc2occc21)C1=CCN(C)CC1 272864950 VSAUPIDHWUSCSD-DOMZBBRYSA-N 303.406 2.607 0 40 DFAB CC1(C)CCc2ncn(Cc3cccc(C(=O)O)c3)c(=O)c2C1 563810603 IKRPHVODIGOFLY-UHFFFAOYSA-N 312.369 2.505 0 40 DFAB CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 566064316 NIDQKBDIZHOOQY-TZMCWYRMSA-N 316.430 2.692 0 40 DFAB Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)C 585109176 YZZPMIBVJOFRFX-HOTGVXAUSA-N 316.401 2.715 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCn2cncn2)C2CC2)o1 41895777 YEWXJXLEIORHJJ-DOMZBBRYSA-N 314.389 2.576 0 40 DFAB O=C(CC[C@H]1CCCO1)Nc1ccc(OCC(F)(F)F)nc1 46931581 LEGSVSMYPDMQQQ-LLVKDONJSA-N 318.295 2.920 0 40 DFAB CCCn1ccc2cc(NC(=O)c3ccc(C(N)=O)cn3)ccc21 65515093 KCSMNBNDBCDKSK-UHFFFAOYSA-N 322.368 2.798 0 40 DFAB COc1ccccc1[C@H]1C[C@H]1C(=O)NCCN1CCC(C)CC1 69371066 XHJJIUAWOGWANP-IAGOWNOFSA-N 316.445 2.647 0 40 DFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1nnc2n1CCCCC2 69484443 YIDNXHBWWMLOIC-KBPBESRZSA-N 319.453 2.725 0 40 DFAB NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 70710189 ITBUYRSMDIKOJB-CQSZACIVSA-N 323.396 2.768 0 40 DFAB Cc1ccsc1CNC(=O)NCc1ccc([S@](C)=O)cc1 80101812 OUBFBOPILSGULM-OAQYLSRUSA-N 322.455 2.793 0 40 DFAB COc1ccccc1N(C)C(=O)Cn1ccc(=O)c2ccccc21 83869761 AZIJSLULMZRQOQ-UHFFFAOYSA-N 322.364 2.673 0 40 DFAB COc1ccccc1OCC(=O)N1CCC2(CC1)CC2(F)F 650600001 MKYXEHDUNJKNMD-UHFFFAOYSA-N 311.328 2.722 0 40 DFAB CO[C@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1ccc(F)cc1 1615083719 FJMOASDODCXWOQ-QAPCUYQASA-N 317.408 2.639 0 40 DFAB NC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCCC2)c1 13466686 CMAGJAYVVXFDAO-UHFFFAOYSA-N 318.373 2.539 0 40 DFAB Cn1c(N)nc(SCc2ccccc2Cl)c2ncnc1-2 17003169 ROQXHWYXBJBMFZ-UHFFFAOYSA-N 305.794 2.843 0 40 DFAB O=C(c1ccc(Cl)s1)N1CC(n2cc(C3CC3)nn2)C1 585149144 GPWXEPPOYMMVRV-UHFFFAOYSA-N 308.794 2.568 0 40 DFAB c1ccc(CN2CCC(N3CC(Oc4ccncc4)C3)CC2)cc1 1889122619 LTUBOGNNUXTAPF-UHFFFAOYSA-N 323.440 2.809 0 40 DFAB CCN(Cc1csc(C)n1)[C@H]1CCOC2(CCN(C)CC2)C1 2037846397 QCAZYOMJEMTAAR-INIZCTEOSA-N 323.506 2.917 0 40 DFAB Cc1ccc([C@H]2CC(=O)c3cnc(N4CCOCC4)nc3C2)cc1 105812 DHJABAQDQDHOAR-OAHLLOKOSA-N 323.396 2.534 0 40 DFAB CC(=O)N[C@@H]1C(=O)N(CCc2ccccc2)c2ccc(C)cc21 540227 RYNLXSBCHDVOHT-SFHVURJKSA-N 308.381 2.762 0 40 DFAB CON1C(=O)CN(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 114154 HFYURKOKVZKLNK-MRXNPFEDSA-N 311.341 2.623 0 40 DFAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1ccccc1 36638925 YJYIRCPOTFJZDK-UHFFFAOYSA-N 319.426 2.833 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nc3ccccc3[nH]2)c1C 17303734 PVNIAFIOSLZJBC-UHFFFAOYSA-N 312.329 2.547 0 40 DFAB O=C(O)CCCC(=O)c1cccc(I)c1 2579884 UOEGNNWBSIKJNO-UHFFFAOYSA-N 318.110 2.729 0 40 DFAB CCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccccc1 3179572 WPJQYVPRPOUCSQ-UHFFFAOYSA-N 312.479 2.866 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)N1CCCc2ccccc21 6128753 JJEULWPIWRIQOC-UHFFFAOYSA-N 311.337 2.774 0 40 DFAB COCCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1 6613884 VOZFAJLKKAYXAV-UHFFFAOYSA-N 305.403 2.880 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162222 YDILGTYZWSGPAG-NSHDSACASA-N 318.398 2.882 0 40 DFAB CCO[C@H](C(=O)OCc1ccc2[nH]nnc2c1)c1ccccc1 69653389 RYTZGOCEVAGFEN-INIZCTEOSA-N 311.341 2.779 0 40 DFAB COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 7928717 BRRDWODQPVOHQH-CYBMUJFWSA-N 311.337 2.654 0 40 DFAB CN(CCCNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 32845333 PMALCMYOJGJZPW-GOSISDBHSA-N 310.397 2.633 0 40 DFAB COc1ccccc1OCCC(=O)Nc1ccc2c(c1)OCO2 2621381 ZPRMZZHTZUVFFI-UHFFFAOYSA-N 315.325 2.832 0 40 DFAB Cc1cnc(C(=O)OCC(=O)c2ccc3ccccc3c2)cn1 8157225 RMIOQWHJSPZJDL-UHFFFAOYSA-N 306.321 2.978 0 40 DFAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)oc2ccccc12 12047717 PSEXTOUBUOACRD-HNNXBMFYSA-N 308.337 2.698 0 40 DFAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N1CCCC1 42191420 WUZDOTCEUOCJKS-UHFFFAOYSA-N 319.355 2.932 0 40 DFAB COC(=O)C[C@@H](NC(=O)COc1ccccc1)c1cccs1 25082040 DCLXSISNBJXJAV-CYBMUJFWSA-N 319.382 2.548 0 40 DFAB COc1ccc(Cc2noc([C@@H]3C[C@@H]4CC[C@@H]3O4)n2)cc1OC 102755118 JHYNVADYZJPQKO-XQQFMLRXSA-N 316.357 2.713 0 40 DFAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 1618806 OWHRRXDJMFQNDI-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccccc1)C2=O 8352301 NZIWMGFMAVDLJK-RDTXWAMCSA-N 316.401 2.956 0 40 DFAB Cc1cc(NC(=O)NCCNc2ccc3ccccc3n2)no1 58015586 JKTZMFDPRJYNSP-UHFFFAOYSA-N 311.345 2.765 0 40 DFAB CCCN(CC(F)(F)F)C(=O)c1cnc2c(c1)c(C)nn2C 58137134 JWWCETWTNIOETD-UHFFFAOYSA-N 314.311 2.691 0 40 DFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1cccs1 58159788 PCLITPDFPBCHMO-GFCCVEGCSA-N 324.471 2.631 0 40 DFAB COc1cc([C@H](C)NC(=O)CC(F)(F)F)cc(OC)c1OC 44940802 LDXAEUXUOYSPEO-QMMMGPOBSA-N 321.295 2.842 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)c3cnccn3)cs2)cc1 58343314 QTHUVIQUVALRSG-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB CC(C)(C)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 58390710 GWGUMPWQPSCMFV-LRDDRELGSA-N 315.479 2.737 0 40 DFAB O=c1c(Cl)c(Cl)cnn1Cc1ccc(-n2cccn2)cc1 10673962 GPQXFTXOFYPBQM-UHFFFAOYSA-N 321.167 2.784 0 40 DFAB O=C(/C=C/c1ccco1)OCC(=O)N1CCCc2ccccc21 3246992 UJEQQTAZBDKQBF-MDZDMXLPSA-N 311.337 2.815 0 40 DFAB COC[C@H](C)NCC(=O)Nc1ccc(SC(F)F)cc1 3310081 VBQDOYBKQAXTPR-VIFPVBQESA-N 304.362 2.564 0 40 DFAB CCCOc1c(Br)cc(C(=O)NC)cc1OC 48333193 KDDSONLTPMZYNG-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1 3480582 XREJBQFSKNCYRR-KRWDZBQOSA-N 310.397 2.757 0 40 DFAB O=C1CCCN1CC(=O)N1N=C2CCCC[C@@H]2C12CCCCC2 96194098 QBFGWJLMPQKWDK-AWEZNQCLSA-N 317.433 2.700 0 40 DFAB Cc1cccc(CNCc2ccc(CS(C)(=O)=O)cc2)c1 48779600 JCTQFYQGEZLXEI-UHFFFAOYSA-N 303.427 2.829 0 40 DFAB C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)N(C)C)[nH]1 93592672 SKSJIBAVTWHSSY-LBPRGKRZSA-N 315.392 2.975 0 40 DFAB O=C(Nc1c(F)cccc1F)c1ncn(-c2ccccc2)n1 8715341 DWOLRVLELYZFAR-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCCC1=O 65588091 XHWMWPHMGKZFJH-LRDDRELGSA-N 306.381 2.650 0 40 DFAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(O)cc3)C2=O)c1 18265525 RMYSTDIXJHARRL-MHWRWJLKSA-N 308.337 2.794 0 40 DFAB CC[C@@H](CNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 14899333 BJWGNRXDENPHAZ-AWEZNQCLSA-N 321.380 2.618 0 40 DFAB COc1ccccc1C(=O)N1CCCN([C@H]2C=CCCC2)CC1 66496582 YNFMGWIRANDWOY-INIZCTEOSA-N 314.429 2.952 0 40 DFAB CCc1ccc(-n2cc(C(=O)NCc3cccs3)nn2)cc1 67262112 LSWHANBVGCZTSJ-UHFFFAOYSA-N 312.398 2.821 0 40 DFAB Cc1cncc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 80045366 VCVZZUUCKJKMQD-HUUCEWRRSA-N 306.431 2.517 0 40 DFAB O=C(O)CCCNC(=O)N1CCC(Cc2ccccc2)CC1 9050788 PEPQJSSLMZVHCN-UHFFFAOYSA-N 304.390 2.516 0 40 DFAB Cc1nc(Nc2nc3c(c(=O)[nH]2)CCCC3)nc2c(C)cccc12 9041613 UWCCVEAEMOIZHM-UHFFFAOYSA-N 321.384 2.952 0 40 DFAB Cc1c(CN(C)Cc2ccc(-c3cc[nH]n3)s2)cnn1C 67725976 RVUOZHRVGXMOSL-UHFFFAOYSA-N 301.419 2.812 0 40 DFAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCO2 7433516 NKYSOYIVPRXVAH-UHFFFAOYSA-N 324.292 2.727 0 40 DFAB COC(=O)CCS[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7554127 YYEJRKPSVOTIOO-LLVKDONJSA-N 311.403 2.702 0 40 DFAB COC[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 16641123 FSEBXKRTVCWSKR-LLVKDONJSA-N 308.378 2.798 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002509 HBNJPRIIPXFVOT-CYBMUJFWSA-N 316.380 2.561 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H]1Cn1cccn1 71866306 MHQMWTJBTAWTNI-AWEZNQCLSA-N 308.385 2.978 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2ccc3cc(OC)ccc3n2)C1 71825588 FLKXAFVMEIMMII-HNNXBMFYSA-N 314.385 2.885 0 40 DFAB Cc1c(CC(=O)N2CCC[C@H]2C(C)C)nnn1-c1ccccc1 71829963 ANPUIPKYUQVRSH-KRWDZBQOSA-N 312.417 2.765 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 71827217 YZWNTOBMSURVRM-WBMJQRKESA-N 313.401 2.639 0 40 DFAB Cc1cc(=O)oc2cc(OCCOC[C@@H]3CCCO3)ccc12 72295144 WLPWPZWKLIKOGO-AWEZNQCLSA-N 304.342 2.676 0 40 DFAB C[C@@H]1CN(C(=O)c2cnc3c(F)c(Cl)ccc3c2O)CCO1 72289243 WALJBGDNYBHLRU-MRVPVSSYSA-N 324.739 2.594 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)N(CC(F)F)C1CC1 72270104 RLPXFTVBDARHLA-UHFFFAOYSA-N 320.343 2.811 0 40 DFAB CSc1ccc(NC(=O)c2ccccc2-n2ccnn2)cn1 97085662 WLNYAFVCKBDHDO-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB Cc1nscc1C(=O)NC[C@](C)(O)c1ccccc1Cl 97143395 BGYNMNCLCSYUGE-AWEZNQCLSA-N 310.806 2.742 0 40 DFAB C[C@@H](N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(=O)N(C)C 97112488 OLCGFPYBDYLZBB-NXEZZACHSA-N 322.796 2.517 0 40 DFAB Cc1csc([C@@H](C)CNC(=O)N[C@@H]2COc3ccccc32)n1 97109951 NYXPBDVZAUGZHQ-GXFFZTMASA-N 317.414 2.988 0 40 DFAB CCOC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 72311384 ZSHXNVWMQFDLOY-FUHWJXTLSA-N 318.461 2.955 0 40 DFAB Cn1cc(NC(=O)c2cc3c(s2)CCCCC3)ccc1=O 84314502 FDYJSOYUGIPURL-UHFFFAOYSA-N 302.399 2.968 0 40 DFAB COc1ccc(CCC(=O)Nc2c3c(nn2C)CSC3)cc1 72400321 ODVCRTKYLUGTAA-UHFFFAOYSA-N 317.414 2.747 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1F 75612972 YVNRZIWMJRGQPD-AWEZNQCLSA-N 307.369 2.690 0 40 DFAB CCCc1noc([C@H](C)N[C@H]2CCCc3c2cnn3CC)n1 76046995 CAXAIKDBLREWSP-AAEUAGOBSA-N 303.410 2.967 0 40 DFAB C[C@](CO)(NC(=O)Nc1cc(-c2ccccc2)on1)C1CC1 84640189 IWXBSQBAMZSEIB-MRXNPFEDSA-N 301.346 2.624 0 40 DFAB C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 95448948 AXJPRLXOIJSVFG-LLLHUVSDSA-N 318.417 2.601 0 40 DFAB CCOc1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H]2CCCOC2)n1 95468410 UGQCMEZRYCADFT-WDEREUQCSA-N 312.797 2.679 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)CCO2)[C@@H](O)c1ccc(F)cc1 95430001 MKBLSVSTFWPTDM-APPDUMDISA-N 315.344 2.613 0 40 DFAB CC(C)c1nccc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)n1 95994785 JCSSLJRINPRLED-AWEZNQCLSA-N 313.405 2.575 0 40 DFAB O=C(Nc1ccc2nncn2c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 95992124 PNXTYSDPGYZSGH-NEPJUHHUSA-N 314.295 2.750 0 40 DFAB Cn1c(NC(=O)c2cnn(C(C)(C)C)c2)nc2cc(F)ccc21 174606247 LTFZSWDDEWQYAF-UHFFFAOYSA-N 315.352 2.916 0 40 DFAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 408706591 AADNJSRZWAIPDL-OAHLLOKOSA-N 310.397 2.531 0 40 DFAB CSc1nnc(NC(=O)COc2ccccc2Cl)s1 39989049 VIOXTUVQSHECKW-UHFFFAOYSA-N 315.807 2.931 0 40 DFAB CCOCCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 61342224 RBONKUXYEBUMGY-UHFFFAOYSA-N 315.417 2.705 0 40 DFAB CC1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC1 408710196 RSRFLEZSLZGEBK-UHFFFAOYSA-N 322.836 2.694 0 40 DFAB COc1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1 547317 VQQPGGPRSKOZRP-MRXNPFEDSA-N 308.337 2.589 0 40 DFAB biogenic COCc1ccccc1COC(=O)c1cnn2c1CCCC2 182546923 PUVAEUJKWBSXRM-UHFFFAOYSA-N 300.358 2.723 0 40 DFAB CS[C@H]1CC[C@H](N(C)CC(=O)NCc2sccc2C)C1 72794442 VZUKCOMKRUIQCN-STQMWFEESA-N 312.504 2.889 0 40 DFAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)[C@H]1CCCO1 32647590 YPTRUULVYUQGCO-CQSZACIVSA-N 323.755 2.841 0 40 DFAB CC(C)[C@H](C)NC(=O)COc1ccc(Br)cc1 42199610 BSIWPHGQHYHLPV-JTQLQIEISA-N 300.196 2.989 0 40 DFAB O=C(COC[C@@H]1CCCO1)Nc1ccc(CC(F)(F)F)cc1 96423055 LONSJXOJXJFYCX-ZDUSSCGKSA-N 317.307 2.926 0 40 DFAB CCO[C@H]1C[C@@H](NCc2ccnc(-n3ccnc3)c2)C1(C)C 96493374 RQEQJYFYRTYPTO-CABCVRRESA-N 300.406 2.561 0 40 DFAB Cc1noc([C@@H](C)ONC(=O)c2cccc(C(F)(F)F)c2)n1 96412923 HUHULVZMFYUSJO-SSDOTTSWSA-N 315.251 2.819 0 40 DFAB O=C1CCCCCN1CC(=O)N(Cc1ccccc1)CC(F)F 96432664 OZCASYDDYPPFOG-UHFFFAOYSA-N 324.371 2.683 0 40 DFAB CCOC[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1 96105888 TWGPHAOLVIYZNU-AWEZNQCLSA-N 321.392 2.874 0 40 DFAB O=c1c2cccc(Br)c2cnn1C1CCOCC1 95097287 LYIPGYLHPKKYLY-UHFFFAOYSA-N 309.163 2.511 0 40 DFAB O=C(Cc1ccccc1)N1CCc2ncnc(C3CC3)c2CC1 96255101 AYIOGUXAURVPSN-UHFFFAOYSA-N 307.397 2.524 0 40 DFAB COc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 96110631 GNDWXZFSVSAJRR-KDURUIRLSA-N 323.440 2.654 0 40 DFAB Cc1cc(CN2CC[C@@H]3OCCC[C@]3(COC(C)C)C2)no1 96040549 IQCVQZJEXSSRCX-DLBZAZTESA-N 308.422 2.779 0 40 DFAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccoc1 253471082 AZCDRMFCBQSEHY-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3C[C@@H](N)[C@H](O)[C@@]3(C)CC[C@H]12 253500228 ZUUSQEHYADUJAR-BOGUXVAPSA-N 307.478 2.688 0 40 DFAB biogenic O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@H](c2ccn[nH]2)C1 257221875 DQXMDZAOHLHUPR-OAHLLOKOSA-N 310.401 2.640 0 40 DFAB CN(C)c1nc([C@H]2CCCN(c3ncccn3)C2)cn2cccc12 257297679 RILWVNWKHKZOAC-AWEZNQCLSA-N 322.416 2.574 0 40 DFAB O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 390835750 WZYACVOZIAQOIG-STQMWFEESA-N 318.200 2.712 0 40 DFAB CCC(CC)N1CCOC[C@](O)(COc2ccccc2C)C1 585277438 WOVDGBSCYCBHRX-SFHVURJKSA-N 307.434 2.626 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 79953431 OVVNCKWHYWMQLW-WBVHZDCISA-N 314.429 2.850 0 40 DFAB O=C(O)[C@@H](c1ccsc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 565253248 HSIAXUXLZJLQQQ-RRFJBIMHSA-N 309.431 2.747 0 40 DFAB Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccccc2)c1C 5132618 QSKVQHGNCQUXBG-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)n[nH]1 5209691 IECCNLWWKGHLNE-GFCCVEGCSA-N 316.430 2.965 0 40 DFAB CCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 19522511 DLCYPCCLDGBOKR-AWEZNQCLSA-N 315.392 2.851 0 40 DFAB CCc1ccc2[nH]c(=O)c(CNCCN(CC)CC)cc2c1 19823952 ZIEFYYVADASEDG-UHFFFAOYSA-N 301.434 2.522 0 40 DFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(=C2CC2)CC1 238875115 NVTPFAPWCNJWJU-LBPRGKRZSA-N 315.369 2.895 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056225039 WROKRYKWVIRRCD-YRILPIOLSA-N 316.376 2.801 0 40 DFAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1 318421 YVJORNHJEOFSFW-UHFFFAOYSA-N 315.339 2.840 0 40 DFAB COc1cccc(N2C[C@H](NC(=O)c3cccc(C)c3)CC2=O)c1 5194711 OFLLTPBCHARKOR-OAHLLOKOSA-N 324.380 2.539 0 40 DFAB O=C(Nc1ccncc1)c1cccn(Cc2ccccc2F)c1=O 5270454 YSDPJOFSMRKYFZ-UHFFFAOYSA-N 323.327 2.683 0 40 DFAB COc1cccc(C(=O)Nc2c(C)nc3c(C)cccn3c2=O)c1 9617352 IJTCDQARKRYZAZ-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB COC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729654 KKOPSUXISNRSKR-AEGPPILISA-N 309.793 2.606 0 40 DFAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1cccnc1 23127199 UOUGQKJIWPXPPU-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB O=C([C@H]1CCCN(c2nccs2)C1)N1CCC(F)(F)CC1 2298183933 NETVTLFYBSGZRO-NSHDSACASA-N 315.389 2.617 0 40 DFAB Cc1csc2c(N3CC(c4nnc5ccccn45)C3)ncnc12 2298229052 HQEWOWVKWSAPPT-UHFFFAOYSA-N 322.397 2.646 0 40 DFAB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 8185123 OFPDGEFDTVARLH-AWEZNQCLSA-N 318.417 2.597 0 40 DFAB CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1cccs1 30986164 KSBWSBNXVXFZRN-CQSZACIVSA-N 321.421 2.989 0 40 DFAB Cc1cc(NC(=O)NCC2(c3ccccc3)CCOCC2)no1 31094860 GVUFXHDHWHFTMY-UHFFFAOYSA-N 315.373 2.853 0 40 DFAB CN(Cc1ccco1)C(=O)c1ccc(OCC(F)(F)F)nc1 40486059 AQTCOSSSIZDUQR-UHFFFAOYSA-N 314.263 2.888 0 40 DFAB C[C@@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 508222 BGTZSQTUUKHIRD-GBOHQZCXSA-N 303.745 2.747 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(N2CCCC2)c(F)c1 69655607 FHXRAZXMLSSDHV-CQSZACIVSA-N 320.408 2.925 0 40 DFAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(C(N)=O)cc1 101063534 XLKQXTSXCKXRBZ-RRQGHBQHSA-N 312.413 2.848 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 1379374 NTYSYCQMOLLOBM-HNNXBMFYSA-N 317.433 2.665 0 40 DFAB Cc1cc2c(c(=O)o1)[C@]1(C)C[C@@](C)(O2)c2c(cc(C)oc2=O)O1 1610041 GTVSICGTZWWFFM-CALCHBBNSA-N 316.309 2.515 0 40 DFAB CCN(CC)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 1641450 LMKPHJYTFHAGHK-QGZVFWFLSA-N 319.445 2.960 0 40 DFAB Cc1ccccc1-n1c(C)nc2cc(NC(N)=S)ccc2c1=O 1718097 FPHRHVLXQDWJLB-UHFFFAOYSA-N 324.409 2.658 0 40 DFAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCCCC1 4071322 XJPLHHOBSNKONO-UHFFFAOYSA-N 308.381 2.922 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1OC 4218248 FZWVAHBTTMGQTE-XJKSGUPXSA-N 305.374 2.860 0 40 DFAB CCONC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 32848285 KADTYKNORJKVMK-UHFFFAOYSA-N 318.358 2.525 0 40 DFAB CCNC(=S)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12 523338 GAAIHGODIJKWHQ-UHFFFAOYSA-N 321.402 2.660 0 40 DFAB CCn1ccc(-c2nnc(CCn3nc(C)c(Cl)c3C)o2)n1 2787712 XYRWFFWICXUSAU-UHFFFAOYSA-N 320.784 2.662 0 40 DFAB Cc1nc(-c2cccs2)sc1C(=O)NCCn1ccnc1 53253896 MAZDRJJUZMILTQ-UHFFFAOYSA-N 318.427 2.807 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)COc1ccccc1 47174591 HVSQLUXOABYIJB-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(Cc1ccccc1)C1CC1 104741700 ORSVVSSOIQKSLM-IAGOWNOFSA-N 310.397 2.560 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCc1ccc(Cl)cc1 101783246 VFPBSKPRXHYBFY-NEBZKDRISA-N 319.788 2.522 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1F 25330673 OIKZSSMTSZXJQS-AWEZNQCLSA-N 322.405 2.929 0 40 DFAB OCCN(CCO)Cc1ccc(CSc2ccccc2)cc1 68606116 BQEZOFVOTITVFG-UHFFFAOYSA-N 317.454 2.766 0 40 DFAB Cc1cccc(C)c1OC1CCN(C(=O)c2cnns2)CC1 56904618 HEDAKFUDXFEEDA-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB c1ccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 57798692 IHAAEJRHMLUCMP-UHFFFAOYSA-N 310.357 2.652 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 58066411 PUMFJRPIFVHMOB-UHFFFAOYSA-N 307.309 2.693 0 40 DFAB CCC(=O)N1[C@@H](c2ccc(Cl)cc2)CSc2nnc(C)n21 27526284 SKVKPJSPYCSHDE-GFCCVEGCSA-N 322.821 2.962 0 40 DFAB CC(C)(C)c1ccc(Cn2c(-c3ncccn3)noc2=O)cc1 58345147 CXTMGGBQMBIPRD-UHFFFAOYSA-N 310.357 2.639 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccnc(Cl)c1 58356108 GFQATFVIJAGVCW-UHFFFAOYSA-N 307.781 2.880 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 3220296 QTMQYACAPAELBI-GZMMTYOYSA-N 316.184 2.809 0 40 DFAB NC(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 10772878 AWQOOFUFXZGWQT-CYBMUJFWSA-N 314.414 2.809 0 40 DFAB O=C(OCc1ccc(-n2cccn2)cc1)C1(O)CCCCC1 28485730 JARYZJVXSQLRGX-UHFFFAOYSA-N 300.358 2.611 0 40 DFAB O=C(NCc1ccc(O)cc1)c1ccc(Cn2cccn2)cc1 48331971 RIBHMZMTIDBYKL-UHFFFAOYSA-N 307.353 2.567 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)on1 70039928 QNVRJNYNJHVGKV-ZDUSSCGKSA-N 302.378 2.780 0 40 DFAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccco1 8360075 ITMZAKYLJCEPLB-YGRLFVJLSA-N 316.382 2.960 0 40 DFAB Cc1cccc2sc(NC(=O)CCCCCNC(N)=O)nc12 13007170 WIDDEZIVPRGVJB-UHFFFAOYSA-N 320.418 2.772 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 13170756 VQXMGZKQTOYAKE-LLVKDONJSA-N 307.777 2.695 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)NCCc1ccc2c(c1)OCO2 24381498 YVOQUZUDJGENEX-UHFFFAOYSA-N 323.392 2.805 0 40 DFAB O=C(NCc1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4116500 JSTJHXVLZCBSHA-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB CN1CCc2ncnc(N3CCC[C@@H]3c3ccc(F)cc3)c2C1 65474270 ZTDQHCYWWLVHQY-QGZVFWFLSA-N 312.392 2.945 0 40 DFAB Cc1noc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n1 65591177 PNZHSTDTAJEAIR-SNVBAGLBSA-N 303.337 2.816 0 40 DFAB CCOC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1 69956513 PJNGNYMVRQWDQK-UHFFFAOYSA-N 312.360 2.718 0 40 DFAB O=C(Nc1cccnc1)N1CCO[C@@H](c2cccc(F)c2)C1 67013959 VIWUNOXJOYEIKY-OAHLLOKOSA-N 301.321 2.826 0 40 DFAB C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC1CC1 5980359 JBIQOCDNVPNGOW-MRVPVSSYSA-N 301.264 2.529 0 40 DFAB Clc1ccc([C@H](NCC2CCOCC2)c2ncon2)cc1 90201996 PKGXCHLKZKYHBF-AWEZNQCLSA-N 307.781 2.829 0 40 DFAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)cc1 8869651 VPGGILRINCREPF-HNNXBMFYSA-N 307.305 2.674 0 40 DFAB CCc1ccccc1NC(=O)COC(=O)c1cccc(C)c1N 7307880 ADJYZSWIKCIKLH-UHFFFAOYSA-N 312.369 2.935 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nnnn2C2CC2)c(C)c1 16374545 HHGVIEFYOYMVJJ-UHFFFAOYSA-N 317.418 2.664 0 40 DFAB CC(=O)c1ccc(NC(=O)CCCn2cncn2)cc1Cl 96011071 CIZMYESCHRIJKA-UHFFFAOYSA-N 306.753 2.553 0 40 DFAB Cc1ccc(CCNC(=O)N(C)C[C@@H](C)c2nccs2)cn1 96009914 GBUIIBBWAALUKL-GFCCVEGCSA-N 318.446 2.834 0 40 DFAB CNC(=O)[C@@H]1CCCN(Cc2ccc3cc(OC)ccc3c2)C1 93360567 GUKZVLSVLZUCOT-QGZVFWFLSA-N 312.413 2.806 0 40 DFAB O=C1CN(C(=O)c2cc3sc4ccccc4c3s2)CCN1 9497613 LEMHAZCGIQFPBR-UHFFFAOYSA-N 316.407 2.688 0 40 DFAB COC1CCN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CC1 71843968 ULZRRYYSJBGLAA-UHFFFAOYSA-N 313.401 2.740 0 40 DFAB CSc1ccsc1C(=O)NCc1cccc(NC(N)=O)c1 71884567 JJRYVNJZDCXOPF-UHFFFAOYSA-N 321.427 2.891 0 40 DFAB Cn1ccc2c(NC(=O)NC3CCN(C4CC4)CC3)cccc21 71867529 MQVRNCYNIQRENJ-UHFFFAOYSA-N 312.417 2.927 0 40 DFAB C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)C[C@@H](C)O 71921110 WFHYNIVWVVICSF-VHSXEESVSA-N 302.321 2.817 0 40 DFAB O=C(NCC(=O)N1CCCC1)c1ccc(-c2ccccc2)cc1 9678169 HRLMOLZZZQQFJM-UHFFFAOYSA-N 308.381 2.706 0 40 DFAB O=C(NCCCCOc1ccc(Cl)cc1)c1cnccn1 9690406 XTMHQUSPBKANLH-UHFFFAOYSA-N 305.765 2.719 0 40 DFAB CC[C@](C)(NC(=O)[C@H]1Cc2ccccc2O1)c1nccs1 72292244 SFYASORBGWGNST-CJNGLKHVSA-N 302.399 2.888 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(C)nn1C 72234287 MNEKYGDNGCTPFC-KGLIPLIRSA-N 303.406 2.757 0 40 DFAB O=C(c1cscn1)N(Cc1ccccc1)[C@H](CO)C1CC1 97046186 LXZGCHZHUXYKTO-OAHLLOKOSA-N 302.399 2.556 0 40 DFAB CC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 97084767 YDDCGYZNSWYHFO-ZFWWWQNUSA-N 314.389 2.626 0 40 DFAB O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)C1CCC1 97018871 KCNUHPBKOUKLKQ-KRWDZBQOSA-N 311.381 2.999 0 40 DFAB Cc1cc(C)nc(NC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c1 97142896 DPLVMPFYBPHVRP-ZDUSSCGKSA-N 312.373 2.847 0 40 DFAB Cn1nncc1CNc1ncc(Cc2ccc(F)cc2)s1 97114498 AXOAWXYRSIUCNI-UHFFFAOYSA-N 303.366 2.614 0 40 DFAB CCOc1ccccc1CNC(=O)c1nn(C)c2ccccc12 72331708 QRCWTQGIADPPFT-UHFFFAOYSA-N 309.369 2.902 0 40 DFAB COc1cc([C@@H](C)NC(=O)NCC2(OC)CCC2)ccc1F 97235950 VEIDXEKAJZUNFL-LLVKDONJSA-N 310.369 2.764 0 40 DFAB O=C(NCC1(c2cccs2)CCCC1)N(CCO)C1CC1 95393286 JWESDJWTXQKJIB-UHFFFAOYSA-N 308.447 2.726 0 40 DFAB CC(C)c1cc(NS(=O)(=O)c2cncc(Cl)c2)on1 95437137 CWHYWJPETPSFOK-UHFFFAOYSA-N 301.755 2.647 0 40 DFAB C[C@@H](NCCC(=O)NC1CCCC1)c1ccc([S@](C)=O)cc1 95420743 XTAGPGSBSSNZCG-MCMMXHMISA-N 322.474 2.524 0 40 DFAB C[C@H](c1cccs1)N(C)C(=O)[C@@H](C)n1nnnc1C(C)(C)C 95465177 XWCKRQAEJZGIGX-GHMZBOCLSA-N 321.450 2.813 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)CCO2)[C@H](O)c1ccc(F)cc1 95429999 MKBLSVSTFWPTDM-GTNSWQLSSA-N 315.344 2.613 0 40 DFAB CCc1nnsc1C(=O)N1C[C@@H](C)Oc2cc(C)ccc21 95407104 FTNYJXCXVIHRID-SNVBAGLBSA-N 303.387 2.837 0 40 DFAB CC[C@]12CCCN1C(=O)N(C[C@H](C)Oc1ccc(F)cc1)C2=O 95992593 RECPBVTXJCSPAJ-YVEFUNNKSA-N 320.364 2.800 0 40 DFAB COc1cccc2c1N(C(=O)c1cnc3n1CCCC3)CCC2 89471559 CDPAVEOCQZCOEP-UHFFFAOYSA-N 311.385 2.821 0 40 DFAB CCO[C@H]1C[C@H](N(C)c2cc(C)nc3ncnn23)C1(CC)CC 75106992 VGFHKJBKXBRTSF-KBPBESRZSA-N 317.437 2.853 0 40 DFAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)c(=O)[nH]1 75120639 OCIFEUJEPKJRIC-UHFFFAOYSA-N 322.364 2.645 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)Cc1cccc2cccnc12 79107522 YWBWHPQYARZESH-CJNGLKHVSA-N 324.380 2.999 0 40 DFAB O=C(CNC(=O)c1ccccc1)NCc1cccc2ccccc12 79142984 RSBVMWSNZPWQOJ-UHFFFAOYSA-N 318.376 2.886 0 40 DFAB O=S(=O)(Nc1nnc[nH]1)c1ccc(C2CCCCC2)cc1 28249432 ZEKVRQSJQOUDCP-UHFFFAOYSA-N 306.391 2.653 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2cccs2)C[C@@H](C)O1 25407597 XBCAMKLDYUTVJM-ZIAGYGMSSA-N 324.490 2.685 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(F)cc1 30132423 GCVCCZAKCMOBTB-LBPRGKRZSA-N 321.323 2.927 0 40 DFAB CN(C(=O)Cn1nnc2c1CCCC2)[C@@H]1CCCc2ccccc21 516583007 YZDNQCODRMQYBH-QGZVFWFLSA-N 324.428 2.693 0 40 DFAB CC[C@H](CNC(=O)Cc1cc(C)no1)Oc1cccc(F)c1 517253225 QSONLUDXBZZOSR-CYBMUJFWSA-N 306.337 2.638 0 40 DFAB O=S(=O)(Nc1ccccn1)c1ccccc1Br 37385866 SKMYCLTVUFBNGY-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 32369604 MZGIHBLUTOXROJ-UHFFFAOYSA-N 318.398 2.725 0 40 DFAB Cc1cccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)c1 36070927 NQTIBMLEHQLLMD-SFHVURJKSA-N 320.392 2.577 0 40 DFAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(C)C)=N1 33740991 SUFIWADAWVFTRX-CQSZACIVSA-N 303.431 2.835 0 40 DFAB CC(C)n1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616299 CBFZXMTWRSJPKC-UHFFFAOYSA-N 324.388 2.875 0 40 DFAB O=C(c1cnccn1)N1CC[C@H](Cc2ccc3ncccc3c2)C1 72368323 NNXFCWZGQXCCSE-OAHLLOKOSA-N 318.380 2.730 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 48343567 QHBDVSFXENYARN-ZDUSSCGKSA-N 314.410 2.726 0 40 DFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)o1 222992089 VCMVXKWXTUOGOD-HUUCEWRRSA-N 317.414 2.602 0 40 DFAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)nc1 225401620 OAKRTHGCLBEGRR-UHFFFAOYSA-N 306.479 2.943 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223754846 FKDQBVXJVNPCDL-AWEZNQCLSA-N 302.418 2.873 0 40 DFAB O=C(c1cc2occc2[nH]1)N1CCN(C2CCCCC2)CC1 85472902 GXVUKIDISPUOTA-UHFFFAOYSA-N 301.390 2.851 0 40 DFAB CCCCN(CCO)CC(=O)N1CCC[C@@H]1c1cccs1 49800513 JGVRUDDTWMOWEA-CQSZACIVSA-N 310.463 2.506 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)C 225764834 CGYUBNQPRHGTSK-GOSISDBHSA-N 318.461 2.791 0 40 DFAB Cn1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cn1 80546167 RJNWGZDCVGCWLO-INIZCTEOSA-N 316.380 2.552 0 40 DFAB O[C@@H](Cn1nnc(-c2ccsc2)n1)c1cccc(Cl)c1 193406335 NKVLBMJPPPREQB-LBPRGKRZSA-N 306.778 2.789 0 40 DFAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)cc1 1586164219 JTAAXPZLKANXSL-INIZCTEOSA-N 322.364 2.934 0 40 DFAB Cc1cccc([C@H](NC(=O)N2CCC[C@@H]2CO)C(F)(F)F)c1 97100151 VLJFPBMTRANWMD-OLZOCXBDSA-N 316.323 2.765 0 40 DFAB Cc1ncccc1C(=O)N[C@H](Cc1nccn1C)c1ccccc1 96443074 ABOVCUWXCGXPNL-QGZVFWFLSA-N 320.396 2.837 0 40 DFAB c1ncc2c(c1COCC1CC1)CCN(CC1CCOCC1)C2 96059319 CJVHEZMDUDWSTQ-UHFFFAOYSA-N 316.445 2.793 0 40 DFAB O=C(NCc1cccs1)c1noc(-c2ccc(F)cc2)n1 96105445 WENNVGICXRPZCI-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB CC(C)N(CC(C)(C)O)C(=O)NC[C@@H]1CCOc2ccccc21 96483806 LVCWPADZHGFGKD-AWEZNQCLSA-N 320.433 2.744 0 40 DFAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cnoc1C1CC1 583619724 UXOQIIYMVNPCRU-OWCLPIDISA-N 306.406 2.568 0 40 DFAB 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CCCC(=O)N1CC[C@H](c2nc(Cc3cccs3)no2)C1 19501101 KITJZIGVBQPZIO-NSHDSACASA-N 305.403 2.838 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)c2ccccc2F)[nH]c(=O)c1C 19555525 PYODHTINYBDJLO-CQSZACIVSA-N 315.348 2.503 0 40 DFAB Cc1ncsc1-c1nnc(CNC(=O)c2ccc(F)cc2)o1 19563273 ARWBWEXABBABKO-UHFFFAOYSA-N 318.333 2.571 0 40 DFAB COc1ccc2sc(N(C[C@@H]3CCCO3)C(C)=O)nc2c1 10889871 SIMDOQWRLGEFHL-LBPRGKRZSA-N 306.387 2.837 0 40 DFAB CCn1cncc1CN1CCC[C@@](O)(c2ccc(F)cc2)CC1 12143568 TWFJGKVKUKBFCN-SFHVURJKSA-N 317.408 2.916 0 40 DFAB CC(C)N1CCC2(CN(C(=O)c3cc4ccccc4n3C)C2)C1 1072926381 MGFZJRNACWVFJP-UHFFFAOYSA-N 311.429 2.735 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(F)c(F)c1 4121570 BYEXWYHWFNGOKW-UHFFFAOYSA-N 318.279 2.902 0 40 DFAB CN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccsc1 11027680 KNBRFDGXASLCHA-HNNXBMFYSA-N 306.406 2.849 0 40 DFAB CCOc1cccc2sc(NC(=O)c3ccn(C)n3)nc12 13667435 YJFQICQYZXVRDF-UHFFFAOYSA-N 302.359 2.681 0 40 DFAB CCCCn1nnnc1CN1C(=O)c2cccc3cccc1c23 40083254 SKSPGOJITRCJJF-UHFFFAOYSA-N 307.357 2.787 0 40 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CCOC(=O)c1ccc(NC(=O)CC[C@H](CC)C(=O)O)cc1 552532 XTZMIYZBHFHFDT-NSHDSACASA-N 307.346 2.693 0 40 DFAB O=C(CNC(=O)c1ccc(Cl)cc1)OCc1ccccc1 564424 TZIXXEJTABPEIQ-UHFFFAOYSA-N 303.745 2.813 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 100395156 ANPKQPKERIPPSY-ZJMHZOEWSA-N 322.408 2.726 0 40 DFAB Cc1ccc(C[C@@H]2CC(=O)N(c3nc(C)cc(C)n3)C2=O)cc1 811588 RPVRFDSXMTXJPS-OAHLLOKOSA-N 309.369 2.524 0 40 DFAB O=C1[C@H](NC[C@H]2CCCn3ccnc32)CCCN1c1ccccc1 89845620 KDVKUSPLMXADRH-NVXWUHKLSA-N 324.428 2.546 0 40 DFAB O=C(c1ccn(COc2ccccc2Cl)n1)N1CCCC1 28234976 NIRRMRBDULXODJ-UHFFFAOYSA-N 305.765 2.809 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1 12407029 VEYZXGXQALVHHU-JSGCOSHPSA-N 315.398 2.691 0 40 DFAB O=c1cc(CO)n(O)cc1OC(c1ccccc1)c1ccccc1 34267560 MAJNKCFGFYTFIP-UHFFFAOYSA-N 323.348 2.746 0 40 DFAB Fc1cccc(F)c1CN[C@@H]1CCCN(c2cccnn2)C1 105905317 VKLYPVAJJAHUQC-GFCCVEGCSA-N 304.344 2.513 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(OC)nc2)cc1 12540402 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CC[C@H](C)[C@@H](NC(=O)N[C@H](C)CCc1ccccc1)C(=O)OC 5450767 WQBUFZOJUNBNKN-SQWLQELKSA-N 320.433 2.895 0 40 DFAB CCCNC(=O)[C@H](C)[S@](=O)Cc1ccc(F)cc1Cl 69811594 SZSJCSCAWNKVBG-UGZDLDLSSA-N 305.802 2.643 0 40 DFAB CCC(=O)Nc1cccc(C(=O)Nc2nnc(CC)s2)c1 4731906 GGSOWPJVARWXEV-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H](n2ccnc2)C1 69917629 VAHVYXYOCAKOBZ-MRXNPFEDSA-N 321.384 2.546 0 40 DFAB CC(C)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 15740931 WRWQJCNCTOFWKL-UHFFFAOYSA-N 318.398 2.710 0 40 DFAB O=c1cc(CN2CCC[C@@H]3CCCC[C@@H]32)nc2sccn12 7587584 VEBIQFVULOVVBY-JSGCOSHPSA-N 303.431 2.911 0 40 DFAB C[C@@H](SC(=S)N(C)C)C(=O)N[C@H](C)c1ccc(F)cc1 7976165 QLABZVIUOLFPNH-NXEZZACHSA-N 314.451 2.971 0 40 DFAB Cn1cnnc1-c1ccccc1NC(=O)Cc1cccc(F)c1 68727075 FJZCBMXPPQVYEI-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cn2c(C)cccc2n1 9115110 AZBVTCLMOJDMPC-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB COc1ccc2nc(NC(=O)c3ccc(OC)nc3)sc2c1 9447503 ZTGVNBYOZINRAD-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB COc1ccsc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 96431628 NHXCUFOMUKZRQC-UHFFFAOYSA-N 307.375 2.626 0 40 DFAB O=C(Nc1nnc2ccccn12)N1CC[C@@H](Cc2ccccc2)C1 96434697 BGVKOUVGCJKDST-HNNXBMFYSA-N 321.384 2.826 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2)c1C 9514921 VZQXAHUZYWUAHK-UHFFFAOYSA-N 300.358 2.690 0 40 DFAB CCc1nc([C@@H](C)NC(=O)NCc2nc(C3CC3)no2)cs1 71897736 RDIGKXOKGNRTKO-MRVPVSSYSA-N 321.406 2.526 0 40 DFAB CCc1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)o1 71908177 FAYDNAKTOIPJFF-AWEZNQCLSA-N 313.401 2.756 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2nc(C(C)(C)C)no2)no1 75573232 VNIZYLURPYHZAP-JTQLQIEISA-N 305.382 2.650 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)Nc1ccccc1 9646165 ZJIVYJVAIUPFBO-DZGCQCFKSA-N 303.406 2.893 0 40 DFAB Cc1nc([C@H](C)NC(=O)N(CCO)Cc2ccccc2)cs1 72271600 IAQJUBBKFLPPGY-LBPRGKRZSA-N 319.430 2.717 0 40 DFAB C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccncc1F 97135653 COPNSWFHDTUSQF-CABZTGNLSA-N 309.366 2.916 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cn1 72330190 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COc1ccc2c(c1)[C@@H](NCc1nnc(C)s1)CCCO2 543739575 BZNGVOPBCAWBKZ-ZDUSSCGKSA-N 305.403 2.859 0 40 DFAB O=C(NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cc2ccccc2o1 408503320 UYZTVWNKNILAEB-GMXABZIVSA-N 319.382 2.681 0 40 DFAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1Cl 30868105 CQRBVSWXASRBKU-UHFFFAOYSA-N 303.811 2.912 0 40 DFAB CCc1nnc(NC(=O)N2CCC[C@]2(CO)CC(C)C)s1 189490775 BWXSBXUEVQWTDH-CQSZACIVSA-N 312.439 2.505 0 40 DFAB COc1cccc([C@@H]2C[C@@]23C(=O)Nc2ccc(C(=O)O)cc23)c1 217475636 MUWCRAUDYHYSAW-KSSFIOAISA-N 309.321 2.771 0 40 DFAB O=C(O)c1cc(NC(=S)NC2CCCCC2)cc(C(=O)O)c1 216930596 YUFQWWMSWUQUPI-UHFFFAOYSA-N 322.386 2.702 0 40 DFAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 7657614 VUMVXYWNDRJXOA-NSHDSACASA-N 322.430 2.798 0 40 DFAB O=C(c1cnco1)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368368 WEIMVBNBTIOYHT-AWEZNQCLSA-N 307.353 2.928 0 40 DFAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(C)C)n1 72360154 GLHHNGFGKCNGBW-GFCCVEGCSA-N 304.423 2.925 0 40 DFAB CCN(CC)CC1CCN(C(=O)c2ccnc(Cl)c2)CC1 37991479 BPJHVXUNIDASRR-UHFFFAOYSA-N 309.841 2.929 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)c1cc(-c2ccccc2)on1 75157485 LZUIUPDLATWUEM-MRXNPFEDSA-N 320.414 2.576 0 40 DFAB Cc1ccc(C(C)C)c(OCCn2cnc3c(N)ncnc32)c1 218251619 HILDERYCKNLTLR-UHFFFAOYSA-N 311.389 2.919 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 74921081 QCGPIHWPSPUCDL-UHFFFAOYSA-N 304.390 2.534 0 40 DFAB CC(C)C(C)(C)CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 188242925 HKJLWBRBRRJFPN-UHFFFAOYSA-N 306.410 2.587 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)C[C@H](O)c2ccc(F)cc2)CC1 133333523 WLEMPTQULYVBAD-GGKIJQQKSA-N 322.424 2.675 0 40 DFAB Cc1ccc(NC(=O)c2ccc(O[C@H]3CCOC3)nc2)cc1F 225708851 AQZUOYDGRRPHTE-AWEZNQCLSA-N 316.332 2.949 0 40 DFAB CCCNC(=O)c1ccc(C)cc1I 225017253 DRMSPNVWJZUIFM-UHFFFAOYSA-N 303.143 2.739 0 40 DFAB O=C(c1ncccc1O)N1CCC[C@@H]1C[C@H](O)c1cccs1 130623116 PHMQGFJAUCVBOZ-YPMHNXCESA-N 318.398 2.577 0 40 DFAB CC1(C)[C@H]2CC=C(COC[C@H](O)CNCc3ccco3)[C@@H]1C2 40459144 SUJUFHXCSRMIJJ-UXLLHSPISA-N 305.418 2.739 0 40 DFAB COc1cc(NC(=O)c2cnc(C)nc2)c(OC)cc1Cl 82338171 UOQUGZCJLACSSZ-UHFFFAOYSA-N 307.737 2.708 0 40 DFAB COc1ccc([C@H](C)NCC(=O)N2CCC(C)CC2)c(OC)c1 195549610 DOAAPMGUWVYJQP-AWEZNQCLSA-N 320.433 2.613 0 40 DFAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccccc1 96038551 TZKSHWWLSHKUSI-DLBZAZTESA-N 301.434 2.701 0 40 DFAB Cc1ccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)c1 96412714 OJYFLEUQQPKAPS-INIZCTEOSA-N 316.445 2.534 0 40 DFAB CSC[C@@](C)(O)CNC(=O)CCCc1c[nH]c2ccccc12 96414670 VERQBGNYYWMOLH-KRWDZBQOSA-N 320.458 2.721 0 40 DFAB O=C(Nc1cccc(F)c1)C(=O)NC1(c2cccc(F)c2)CC1 96418157 XSKKNDMIEAEQRC-UHFFFAOYSA-N 316.307 2.709 0 40 DFAB Cc1cc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)c(C)o1 95417175 ORNOYQOAHFMRHI-KRWDZBQOSA-N 314.385 2.698 0 40 DFAB CCc1noc(CN(C)C(=O)c2ccccc2OC2CCC2)n1 96411223 BMGLTRQQMYSFQY-UHFFFAOYSA-N 315.373 2.836 0 40 DFAB Cc1cnc(CNC(=O)NCCCOC2CCCCC2)s1 96437520 LTGPGVHLHUOBCW-UHFFFAOYSA-N 311.451 2.990 0 40 DFAB O=C(Cc1ccccn1)N1CC[C@]2(C[C@H](c3ccccc3)CO2)C1 96072133 QXEHEMABAILCEY-PXNSSMCTSA-N 322.408 2.799 0 40 DFAB Cn1ccnc1CNC(=O)Nc1ccnc(Oc2ccccc2)c1 96434993 SSOJDMQFMAMFEA-UHFFFAOYSA-N 323.356 2.929 0 40 DFAB CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ncc(C(C)C)s1 96473029 QWZJREBIPMOLSY-NSHDSACASA-N 324.450 2.787 0 40 DFAB Cc1ccc(CCNC(=O)N2CCS[C@H](C(C)C)C2)cn1 96440080 HNSNQHGOBFMAHA-HNNXBMFYSA-N 307.463 2.716 0 40 DFAB O=C(/C=C/c1cccc(F)c1)N1CCC(O[C@H]2CCOC2)CC1 96450876 CRGNWJXGDQLDHN-BDUNBXCCSA-N 319.376 2.635 0 40 DFAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 1595129936 IJDWXFVMFOWGIT-RTXFEEFZSA-N 309.312 2.934 0 40 DFAB Cc1cc(C(=O)NCC2(O)CCSCC2)c(Cl)cc1F 96470435 OGAGPEDVKYNYJA-UHFFFAOYSA-N 317.813 2.775 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2cnoc2C)cc1 583624117 RSOYSUGXKWWZKN-ROUUACIJSA-N 316.401 2.864 0 40 DFAB CN(C)c1cc([C@H]2CCCN(Cc3cncs3)C2)ccn1 257284456 PCTXBCQVIGYNMP-AWEZNQCLSA-N 302.447 2.984 0 40 DFAB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 250258519 VLBQVLILVGYHDV-GWZLXJJCSA-N 307.349 2.976 0 40 DFAB c1cncc(O[C@@H]2CC[C@@H]3CN(Cc4cncs4)C[C@@H]32)c1 257327379 XBCKSXHQKMKTFZ-UHOFOFEASA-N 301.415 2.828 0 40 DFAB Cc1noc(C)c1CC(=O)NCCn1cc(-c2ccccc2)cn1 253473793 YLFMQGHWZRTTJA-UHFFFAOYSA-N 324.384 2.514 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2cnc(-c3cn[nH]c3)cn2)C1 257214033 CKFWHGCQDIPCRD-LBPRGKRZSA-N 313.405 2.619 0 40 DFAB CO[C@H]1CCN(C(=O)CCc2cccc(F)c2)C[C@@]12CCCO2 257278268 OBNODIDNJPXSBS-WMZOPIPTSA-N 321.392 2.555 0 40 DFAB CC(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C(C)C)n2)C1 257252369 JUOREFZCCRUPOE-CQSZACIVSA-N 313.405 2.647 0 40 DFAB CC(C)[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(F)cc1 44372871 FPBUOQCAJFHSHA-CJNGLKHVSA-N 306.381 2.507 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 54247748 WZRDRFYJLSNPIZ-BETUJISGSA-N 320.389 2.748 0 40 DFAB CCOC(=O)c1sc2ncnc(NCc3cc[nH]n3)c2c1C 58179726 ARGFSYNHPXDXCI-UHFFFAOYSA-N 317.374 2.512 0 40 DFAB O=C(Cc1ccon1)Nc1ccc2sc(C(=O)O)cc2c1 97018470 RFJPZKYIHJRXAE-UHFFFAOYSA-N 302.311 2.769 0 40 DFAB OC1CCC(NCc2cc(Cl)c3c(c2)OCCCO3)CC1 37301254 HYHMDDPDYHOHIA-UHFFFAOYSA-N 311.809 2.894 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cscn3)C2)ccn1 1776000967 ROYIRWBJZDPHRB-CYBMUJFWSA-N 317.414 2.778 0 40 DFAB CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 5462370 ICOORTHTLJLDEG-UHFFFAOYSA-N 324.336 2.571 0 40 DFAB COc1ccc2cc(CNC(=O)c3ccc(O)nc3)ccc2c1 11124652 DMHIVUUGKDLWOT-UHFFFAOYSA-N 308.337 2.879 0 40 DFAB COc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N=C3O)cc2c1 13801977 VQRLLWISAHZISI-WDZFZDKYSA-N 318.379 2.866 0 40 DFAB CC(C)c1nnc2sc(NC(=O)c3ccccc3F)nn12 15674541 KZRWYJFIVPPOCG-UHFFFAOYSA-N 305.338 2.701 0 40 DFAB c1cc2c(c3c1C[C@H]1NCCc4cc5c(c-3c41)OCO5)OCO2 338147 UXVJNYDGHSTBCL-LLVKDONJSA-N 309.321 2.554 0 40 DFAB biogenic,in-vitro O=C(O)CCCCCNC(=O)COc1ccc2ccccc2c1 3166801 DPZLXUHRVTZBIV-UHFFFAOYSA-N 315.369 2.980 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](O)c1ccccc1OC 31098289 JVPBLUUDICWFRK-AWEZNQCLSA-N 316.357 2.559 0 40 DFAB CCC(CC)C(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2C1CC1 1775963889 IGZXIYGSSFTULS-DANNLKNASA-N 306.450 2.574 0 40 DFAB biogenic,in-vitro c1ccc(N2C[C@@H]3CN(c4cc(C5CCC5)ncn4)C[C@H]3C2)nc1 2298049380 JVRLZQYPIPBUIC-HZPDHXFCSA-N 321.428 2.712 0 40 DFAB COC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N 425167 WXSUSDCJGKGPOH-UHFFFAOYSA-N 302.327 2.915 0 40 DFAB O=C(NC1CCCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3429693 HKVVQDFHSQQVGA-INIZCTEOSA-N 314.429 2.874 0 40 DFAB CC(C)OCc1ccc(C(=O)NC2(C(N)=O)CCCCC2)cc1 40117567 HQALWSBSPQWNPB-UHFFFAOYSA-N 318.417 2.530 0 40 DFAB COc1cc([C@@H](C)NC(=O)CCSC)cc(OC)c1OC 40107866 NVEAPPBZMLAJNO-SNVBAGLBSA-N 313.419 2.643 0 40 DFAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCCC3)ccc12 146224 BCFNABBBBALEKJ-LBPRGKRZSA-N 315.369 2.928 0 40 DFAB CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 45621050 RWGZTIZVUWUKBN-UHFFFAOYSA-N 318.204 2.676 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1F 51356359 KZZZLYSDXYLDAQ-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB CCCCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 1746650 OSQCQZKRJXSLND-UHFFFAOYSA-N 316.401 2.759 0 40 DFAB COc1ccc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cc1F 69699880 PUUOKQPUIOKEOX-OAHLLOKOSA-N 318.396 2.707 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H]1c1cnn(C)c1 69668681 KBONHKJUAWVQSN-PBHICJAKSA-N 313.401 2.689 0 40 DFAB CCOC(=O)c1sc([C@H](C)NC(=O)C2[C@H]3CCC[C@H]23)nc1C 101606377 UIYCYJDVWJXULA-DCAQKATOSA-N 322.430 2.852 0 40 DFAB CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540619 KWACEDYMSOCDDG-UHFFFAOYSA-N 317.341 2.629 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)NC2CCC(C)CC2)c1 17052484 LCSBMWDAQVNWJF-UHFFFAOYSA-N 313.419 2.561 0 40 DFAB COc1ccccc1CN1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107775544 KOMMEIFBTHDRAY-YTQUADARSA-N 317.429 2.854 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(-c2ccncc2)no1 12321773 JENSMMWDJKMIGA-ZDUSSCGKSA-N 322.368 2.883 0 40 DFAB COc1ccccc1CC(=O)Nc1ccc2oc(=O)ccc2c1 54253529 MUBPIBOLQSIBEI-UHFFFAOYSA-N 309.321 2.983 0 40 DFAB c1cnnc(N2CCC[C@@H](NCc3cc4ccccc4o3)C2)c1 69738319 PPYZJUBCELMVGB-OAHLLOKOSA-N 308.385 2.981 0 40 DFAB CN(C)CCN(CCCc1ccccc1)C(=O)c1ccccn1 69744757 STLGSDZLONJTCG-UHFFFAOYSA-N 311.429 2.718 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cn1C 24661399 LNYKZIWRIAFTCB-GFCCVEGCSA-N 320.776 2.591 0 40 DFAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)on1 55553341 MHNBRCMCJYZNDD-UHFFFAOYSA-N 308.341 2.789 0 40 DFAB Cc1noc(CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 96013894 RTOLVJLDUWFOFZ-ZETCQYMHSA-N 317.315 2.604 0 40 DFAB COc1nc(C)cc(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 96003749 KXCSSKJUDQMKEA-LBPRGKRZSA-N 310.361 2.547 0 40 DFAB c1cc(-c2nc(CN3CCS[C@H]4COCC[C@H]43)no2)cs1 107365256 TVNXGPWXYYYRPN-NEPJUHHUSA-N 323.443 2.504 0 40 DFAB COCCSc1nc(-c2ccccc2Br)n[nH]1 25977052 NTLZSRDEJDFYRJ-UHFFFAOYSA-N 314.208 2.973 0 40 DFAB Cc1ccccc1C1(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)CC1 108105552 HGMMGQISLQJFNU-VNQPRFMTSA-N 300.402 2.646 0 40 DFAB C[C@H]1CCCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nn1 44872295 USXFNSDFNOOMTQ-NKSUMMKUSA-N 310.401 2.741 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)NCc1ccc(F)cc1 3384029 ZYRBCRVAVKCYFL-UHFFFAOYSA-N 307.346 2.669 0 40 DFAB CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)c1cccs1 58306625 REAVTEFEHPGWNI-FZMZJTMJSA-N 308.447 2.866 0 40 DFAB O=C(Cc1noc2ccccc12)OCc1nnsc1Cl 22019992 WFXIAXWPPITROW-UHFFFAOYSA-N 309.734 2.619 0 40 DFAB CCN(CC)CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 58827267 WNACNSKZGMJJRR-IBGZPJMESA-N 311.429 2.762 0 40 DFAB CCCCc1noc(CN(C)CC(=O)Nc2ccc(C)cc2)n1 12906891 XIWLEGKLHPVQJD-UHFFFAOYSA-N 316.405 2.791 0 40 DFAB CCN(C)[C@H](C(=O)N(C)CCc1ccncc1)c1ccccc1 69512041 GCFDQEQNLHCRHP-SFHVURJKSA-N 311.429 2.776 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)n1 69585229 WTWXQWPZYFLULN-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB COc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 19736471 UYKQNHNRQYRFOS-UHFFFAOYSA-N 306.749 2.948 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 19736182 MMKMDKBPEJAMDB-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)NC(=S)N1 6395223 HJUOMVFLFGTRKC-AWEZNQCLSA-N 322.405 2.818 0 40 DFAB COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1OC 6470343 RFYJJGYSHSMVRI-UHFFFAOYSA-N 318.398 2.830 0 40 DFAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccsc1 14138202 OMYVVXSGIFYICG-UHFFFAOYSA-N 307.396 2.551 0 40 DFAB Cc1cc(C)n(CCCn2c(=S)[nH]c3ccccc3c2=O)n1 7045958 BMFWPRMUJOVIBJ-UHFFFAOYSA-N 314.414 2.963 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)NCCCc1ccccc1 15306181 PWIMEZWFDPPRJS-UHFFFAOYSA-N 311.381 2.749 0 40 DFAB CC(C)c1cc(SCCS(C)(=O)=O)nc(C(C)C)n1 90091988 MCMHZHCZOVKYKR-UHFFFAOYSA-N 302.465 2.860 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1n[nH]c2ccccc12 7140886 XCFHLVXOAGNVGA-UHFFFAOYSA-N 320.352 2.942 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 7230428 WCOIAUYWMTVWKQ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CC1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 7359333 SXBZMVCZQBMOOG-UHFFFAOYSA-N 301.434 2.957 0 40 DFAB CC(C)n1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O 71281411 MXJMBLQNTRXSCR-UHFFFAOYSA-N 322.364 2.627 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc2ncccc2c1 89948986 LVIAMYGXFINIEW-LPHOPBHVSA-N 311.429 2.971 0 40 DFAB COC(=O)c1ccc(N2CCC[C@@H]2c2ccc(OC)cc2)nn1 83943954 LUXSNWYCEMJQEC-OAHLLOKOSA-N 313.357 2.613 0 40 DFAB CCn1cc(NC(=O)NCC2(CCOC)CCCC2)ccc1=O 96472305 NZEXREIOMXVZOC-UHFFFAOYSA-N 321.421 2.587 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(C)c1C 96409483 OQNQJFTZIXHGAE-UHFFFAOYSA-N 323.418 2.890 0 40 DFAB CN(C)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 71828422 ORKUPXDKBBEDCJ-UHFFFAOYSA-N 305.809 2.988 0 40 DFAB CCc1cc(NC(=O)N(C)Cc2ncc(CC)s2)n(C)n1 83820361 WZOLEHFRCSITGD-UHFFFAOYSA-N 307.423 2.665 0 40 DFAB COc1c(NC(=O)CCn2ccc3ccccc32)c(C)nn1C 71908891 CHYIBJAITRQJAO-UHFFFAOYSA-N 312.373 2.721 0 40 DFAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(C)s1 72268700 CLEYTLDQPOJOGE-HUUCEWRRSA-N 307.463 2.817 0 40 DFAB Cc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1OC(F)F 72285145 AYJMEXVYSPVVSP-UHFFFAOYSA-N 308.284 2.547 0 40 DFAB COc1ccc(C2=CCN(Cc3cc(=O)c(O)co3)CC2)cc1 72290404 OZMHMCVAOGFRHT-UHFFFAOYSA-N 313.353 2.643 0 40 DFAB CN1CCN(C2CCN(CCc3ccccc3Cl)CC2)C1=O 75604282 VAFCLOMNTNOLAS-UHFFFAOYSA-N 321.852 2.714 0 40 DFAB CCc1cnccc1C(=O)N[C@H]1C[C@]12CCOc1ccccc12 97034981 UUOOZQHIHKJVBM-HKUYNNGSSA-N 308.381 2.867 0 40 DFAB Cc1nc(C)c(CNC(=O)Nc2nc3c(s2)COCC3)s1 76070132 QUHUYCPFILXZHI-UHFFFAOYSA-N 324.431 2.611 0 40 DFAB COc1ccc(CCNCc2cn(C)nc2-c2ccncc2)cc1 97159714 XMMBDFWUORCXSB-UHFFFAOYSA-N 322.412 2.823 0 40 DFAB O=S(=O)(N1C[C@H]2CC=CC[C@H]2C1)N1CCC[C@@H]1c1ccco1 78881087 VDRRKULWBADDCZ-QLFBSQMISA-N 322.430 2.559 0 40 DFAB COc1cccc([C@@H](C)Sc2nnc(Cn3cncn3)o2)c1 79052097 MEMAOKSVXLUJER-SNVBAGLBSA-N 317.374 2.571 0 40 DFAB CO[C@@H](CNC(=O)NCc1cn2c(C)cccc2n1)C(C)(C)C 74166732 GAGOJLMSOJOPJX-AWEZNQCLSA-N 318.421 2.503 0 40 DFAB CCCCOc1ccc(C(=O)N(C)C[C@H](C)C(=O)O)cc1OC 95956971 DRERHSYVXRDDOF-LBPRGKRZSA-N 323.389 2.667 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1ccncc1 75130383 VSNMTCUBBUROCL-MRXNPFEDSA-N 312.417 2.728 0 40 DFAB CN(C)c1ncccc1N(C)C(=O)Cc1c[nH]c2ccccc12 75106200 WBNLYJPTTGIGCG-UHFFFAOYSA-N 308.385 2.834 0 40 DFAB CC(C)(C)OC(=O)NCC1CCN(Cc2ccncc2)CC1 67801243 WPYJQFUFNVTFEV-UHFFFAOYSA-N 305.422 2.818 0 40 DFAB CCOCCCNC(=O)c1nnsc1-c1ccc(C)cc1 71195326 RITDCSDKOMXMOT-UHFFFAOYSA-N 305.403 2.670 0 40 DFAB C[C@@H](O)CN(Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 555377715 SPCGBWJSGLYCHB-BEFAXECRSA-N 317.404 2.612 0 40 DFAB CN1CCC[C@@H](C(=O)NCCCSCc2ccccc2F)C1 78578609 ZBQPRQLOSMMSMH-CQSZACIVSA-N 324.465 2.907 0 40 DFAB COc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)cc1OC 32044773 SNJYNQUSKQCTIN-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB O=C(Nc1cccc(C(F)(F)F)n1)N1[C@H]2CC[C@H]1CC(O)C2 124102075 MBHBNMAQCRQSBW-IUCAKERBSA-N 315.295 2.620 0 40 DFAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C)cc1 35287657 VFJYZPCELPEIOE-UHFFFAOYSA-N 303.383 2.716 0 40 DFAB c1ccc2c(c1)C[C@@H](CNc1ncnc3c1ncn3C1CC1)O2 518954696 ULTBVSCAAWNAPY-ZDUSSCGKSA-N 307.357 2.577 0 40 DFAB CCS(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 216233533 HAUAKVYDJYPHRH-UHFFFAOYSA-N 324.446 2.853 0 40 DFAB O=C(/C=C/c1ccco1)N1CCC(c2nnc(C3CC3)o2)CC1 38518619 CIJYAQONQRQXJU-AATRIKPKSA-N 313.357 2.959 0 40 DFAB CC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1 79310098 OHOMBWFKLIXIAD-VIFPVBQESA-N 318.236 2.691 0 40 DFAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C 225665546 WGTIUKDZVCTCLQ-CQSZACIVSA-N 320.433 2.737 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)N[C@H](C)CC 225417941 ALTIRLUWHDMCMQ-ZIAGYGMSSA-N 320.433 2.737 0 40 DFAB Cc1cccc(CS(=O)(=O)NCCOc2ccc(F)cc2)c1 224169365 STVYKHONYARUID-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB COc1ccc(Br)cc1CN[C@@H](C(=O)O)C(C)C 42325298 OTZKQMSMVWYAHG-GFCCVEGCSA-N 316.195 2.657 0 40 DFAB COc1cccc(CCNC(=O)Cc2sc(C)nc2C)c1 41179634 RHHUQGDXQOZUCU-UHFFFAOYSA-N 304.415 2.670 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C1 96481302 CQNZUNNJRFIZRY-OAGGEKHMSA-N 306.475 2.689 0 40 DFAB CC(C)c1noc(CCCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)n1 96439676 MMLNWLOJZSTWIO-OKILXGFUSA-N 318.421 2.733 0 40 DFAB CN1CCC[C@H](CCc2nc(-c3cn4ccccc4n3)no2)C1 96164702 FFKCMWZXHOQXKD-CYBMUJFWSA-N 311.389 2.659 0 40 DFAB CCc1nc(CCNC(=O)NC[C@]2(C)CCCS2)cs1 96467087 NEXIUDJLUWQZDQ-AWEZNQCLSA-N 313.492 2.833 0 40 DFAB O=C(c1cn2cccnc2n1)N1CCSC[C@@H]1c1ccccc1 96406438 FZIFWFAKDIYYGK-OAHLLOKOSA-N 324.409 2.660 0 40 DFAB O=C(c1ccon1)N1CC[C@H](OCCCc2ccccc2)C1 96456443 JGFMELJSGIRTDZ-HNNXBMFYSA-N 300.358 2.539 0 40 DFAB O=C(NCCCF)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 96490626 PJSAQKGYMUBIJN-OLZOCXBDSA-N 300.761 2.829 0 40 DFAB CO[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc(F)cc3C)C2)C1 96107204 JVCRQSJZBRIZSI-PBHICJAKSA-N 307.365 2.544 0 40 DFAB N[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 95426333 BEAUNPDQWMBZCV-GOSISDBHSA-N 322.408 2.808 0 40 DFAB Cc1cc(C(=O)NCCn2ccc(-c3ccncc3)n2)c(C)o1 96026118 QQJWATZWRDGNHE-UHFFFAOYSA-N 310.357 2.585 0 40 DFAB COCCN1CCCC[C@@]12CC(=O)N(c1ccc(C)cc1)C2 96071661 QNBOISRDTWKLIH-SFHVURJKSA-N 302.418 2.603 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C(=O)O)CC1 98181574 BFAUJVHLMHGKCV-UHFFFAOYSA-N 322.361 2.558 0 40 DFAB COc1nn(C)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 332176247 VMKUEABRDSECIL-UHFFFAOYSA-N 314.389 2.754 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)c1cccnc1C 96431674 HDGGOWSCUHZBTL-LBPRGKRZSA-N 300.358 2.596 0 40 DFAB CC(C)C(=O)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257281149 ONWATUSCQMTGFU-HNNXBMFYSA-N 300.402 2.841 0 40 DFAB COc1ccc(CN2CCOC[C@H](Cc3ccccn3)C2)cc1 257228673 FUUUWXFPDRQWSQ-QGZVFWFLSA-N 312.413 2.781 0 40 DFAB CNc1nccc([C@H]2CCCCN2Cc2cccnc2NC)n1 257219186 DFXMRJAXPPFHRY-OAHLLOKOSA-N 312.421 2.682 0 40 DFAB COc1ccc(F)cc1C(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257310991 UHLKTYPMEYTXLQ-VMGRFDJRSA-N 307.365 2.600 0 40 DFAB Cc1cn[nH]c1[C@@H]1COCCN1Cc1ccnc2ccccc12 257316168 VEKVIRYHUVKLNK-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB CCO[C@@H](CC)C(=O)NCc1cccc(N2CCCCC2=O)c1 57266208 BLOYPVMIAZPAOW-INIZCTEOSA-N 318.417 2.635 0 40 DFAB Cc1csc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 85357986 JNDNANBDHKKCNB-UHFFFAOYSA-N 319.365 2.831 0 40 DFAB Brc1cncc(N2CCC[C@@H](c3ncc[nH]3)C2)c1 91479685 WFKPZIWPMXJLRT-SNVBAGLBSA-N 307.195 2.951 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC12CCOCC2 585409505 UEXMDSFDMAWERX-SWLSCSKDSA-N 307.365 2.668 0 40 DFAB CO[C@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1cccc(F)c1 1615086118 XVFLKXWTNHRERP-QAPCUYQASA-N 317.408 2.639 0 40 DFAB COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccsc1 13724947 KWDNSZBXIYBQBQ-UHFFFAOYSA-N 311.428 2.852 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)NCCC1=CCCCC1 6012153 IIUKKHVLRVSNDR-CMDGGOBGSA-N 303.358 2.843 0 40 DFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 7078159 UDQKKJDMBFBMSD-FKVCUQLRSA-N 309.343 2.658 0 40 DFAB C[C@]12C[C@](O)(C(=O)O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 5029312 FKKWIOKUFAJYAL-DZBYAUNPSA-N 322.445 2.816 0 40 DFAB CCOc1ccccc1/C=C(\Sc1n[nH]c(C)n1)C(=O)O 5906984 YNVGRCNGAAVKOH-WQLSENKSSA-N 305.359 2.730 0 40 DFAB COCCn1c(N)c(C(=O)N2CCCCCC2)sc1=S 13547191 GXSHUESVLSBHTI-UHFFFAOYSA-N 315.464 2.524 0 40 DFAB CCn1nc(C)c(CN(CCCOC)Cc2ccccn2)c1C 19523814 CJBMEKGFHLXELR-UHFFFAOYSA-N 316.449 2.954 0 40 DFAB COc1ccc(C(=O)O[C@@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 14504524 PCUOEOPTDCUNQQ-SJKOYZFVSA-N 316.353 2.983 0 40 DFAB endogenous,in-man Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 31157673 CTJPDNXMUMTMJX-UHFFFAOYSA-N 302.326 2.838 0 40 DFAB biogenic,in-vitro Cc1cnc([C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)[nH]1 1848352204 ALWYKHYPRQIDIH-LBPRGKRZSA-N 312.348 2.968 0 40 DFAB CCS(=O)(=O)c1ccccc1NC(=O)c1ccccc1OC 40510033 MUDNEINOZKTVGK-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB Brc1cc(CNCc2cccnc2)cc2c1OCO2 22770644 GFGCOWPSFKWFCP-UHFFFAOYSA-N 321.174 2.863 0 40 DFAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@@H]1c1ccccc1 15086150 NWEADRPFLOCGNK-QIIPPGSGSA-N 304.386 2.842 0 40 DFAB O=C(NCc1ccccc1)N1CCc2nc3ncccc3cc2C1 1890150220 IPVVIRKJMUJQPB-UHFFFAOYSA-N 318.380 2.898 0 40 DFAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)Nc1cccs1 85561094 SGYOTZXFHKYNDE-NSHDSACASA-N 320.370 2.722 0 40 DFAB CCNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 103507938 IJYCRXOCPUMKBW-MWDXBVQZSA-N 303.450 2.611 0 40 DFAB Cc1nn([C@@H](C)C(=O)Nc2ccccc2)c(=O)c2ccccc12 20096319 VJXMUYRXXFVYCO-ZDUSSCGKSA-N 307.353 2.905 0 40 DFAB O=C(C1CCCCC1)N1CCN(CCOc2ccccc2)CC1 40162114 POONVFVXSGNOHN-UHFFFAOYSA-N 316.445 2.790 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 423421 YIKOTMZSQQKCNN-UHFFFAOYSA-N 316.382 2.681 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ncnc3sccc23)CC1 45683371 GKKPNTXHFNLZQV-UHFFFAOYSA-N 320.418 2.748 0 40 DFAB NC(=O)[C@H](OC(=O)c1ccc2ncsc2c1)c1ccccc1 11428358 BVFOWCDFMOHOHJ-CQSZACIVSA-N 312.350 2.680 0 40 DFAB CCN(Cc1ccccc1)C[C@@H](O)COc1cccc(OC)c1 1469889 ZTHRMZVTOJVTAL-QGZVFWFLSA-N 315.413 2.957 0 40 DFAB CCOCCCNc1ncnc2c1cnn2-c1ccc(F)cc1 20661931 SIZPGWWMPXGVOB-UHFFFAOYSA-N 315.352 2.793 0 40 DFAB CC(C)NC(=O)NC(=O)COc1cc(Cl)ccc1Cl 3596489 CFNPXLRIPPTFPE-UHFFFAOYSA-N 305.161 2.606 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccn1 7059114 CYWVPXMPRYDJOA-LBPRGKRZSA-N 302.399 2.610 0 40 DFAB CCc1cc(=O)n2nc(N3CCCC[C@H]3C(C)C)sc2n1 70037973 VMWNMJBJHDFYQL-LBPRGKRZSA-N 306.435 2.728 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102167218 CLQZHPGGLYTJNT-ABHRYQDASA-N 319.376 2.923 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1F 102167838 UDBMOQCJNNNRBB-TYNCELHUSA-N 307.365 2.923 0 40 DFAB COc1cc(CNC(=O)c2ccsc2)cc(OC)c1OC 8361746 DFZCRGLSSCPXMZ-UHFFFAOYSA-N 307.371 2.704 0 40 DFAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)C[C@@H]1CCCO1 102386646 OEDWUNAOJCWAKW-DKIMLUQUSA-N 312.413 2.801 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 69663181 ILPJIABWANNCKH-CJNGLKHVSA-N 324.428 2.713 0 40 DFAB O=C(c1ccccc1)c1ccc(OC[C@H](O)Cn2ccnc2)cc1 8395517 NIQANTCYLIVJMU-QGZVFWFLSA-N 322.364 2.554 0 40 DFAB CCO[P@]1(=O)C(CCO)=CN(c2ccccc2)N=C1C(C)=O 547686 CPKZBZGAXQEJQU-JOCHJYFZSA-N 322.301 2.948 0 40 DFAB Cc1cccc(N2N=C(C(=O)N3CCCC[C@H]3C)CCC2=O)c1 544300 PZWGNUKAQSZFPR-CQSZACIVSA-N 313.401 2.879 0 40 DFAB COc1cccc(CNC(=O)c2cn(-c3ccc(C)cc3)nn2)c1 23127085 LBCHAVDPKQYAEE-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB OCCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 118639547 NVWRIXBAKONECX-UHFFFAOYSA-N 311.425 2.705 0 40 DFAB Fc1ccc(F)c(CN[C@H]2CCCN(c3cccnn3)C2)c1 105802286 BWDIHYONIJTPJA-AWEZNQCLSA-N 304.344 2.513 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)N3CCO[C@@H](C)C3)n2)cc1F 106038921 NESSOPRPMAHHQI-NWDGAFQWSA-N 305.353 2.966 0 40 DFAB C/C=C/C=C/C(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1 24987324 KYOFIUMTVGBMJV-TWTPFVCWSA-N 320.820 2.937 0 40 DFAB O=C(Nc1nc[nH]n1)c1cnn(-c2ccc(Cl)cc2Cl)c1 56414137 LGNPHVHBJOJLNM-UHFFFAOYSA-N 323.143 2.550 0 40 DFAB COc1ccc(CN(C)C(=O)c2cccc(C)n2)c(OC)c1 25595793 STUBFINXBKTWNU-UHFFFAOYSA-N 300.358 2.679 0 40 DFAB CCn1c(S)nnc1CNC(=O)c1csc2ccccc12 108896405 GOKUUOBCUBJLKK-UHFFFAOYSA-N 318.427 2.731 0 40 DFAB Cc1nc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cs1 58162058 UBXZRBHLHDETLA-UHFFFAOYSA-N 302.355 2.798 0 40 DFAB COc1ccc2nc(Cl)c(C=O)c(N3CCOCC3)c2c1 26440447 HSJZVFIFEWFQQN-UHFFFAOYSA-N 306.749 2.546 0 40 DFAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(F)cc1Cl 58218305 IQHNPSPMFSWYPU-UHFFFAOYSA-N 317.707 2.968 0 40 DFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1ccco1 47987758 YJUVLSQASOZFNG-UHFFFAOYSA-N 313.357 2.802 0 40 DFAB Cc1cccc(NC(=O)C2CCN(CCc3ccccn3)CC2)n1 58419711 YSOVWAHGQHBTTR-UHFFFAOYSA-N 324.428 2.678 0 40 DFAB CN1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1=O 45153528 XZFHGHNINWHZIT-UKRRQHHQSA-N 320.820 2.872 0 40 DFAB Cc1ccsc1CNC(=O)Nc1ccc(-n2cccn2)nc1 48135266 YCALKUBXQYHDND-UHFFFAOYSA-N 313.386 2.959 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N(C)C)c1 3315608 SQSYEFDPTUPUJX-CJNGLKHVSA-N 318.417 2.604 0 40 DFAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)c1cc(Cl)ccc1O 12810060 OOHFZDOLFFKXLS-UHFFFAOYSA-N 318.760 2.841 0 40 DFAB CCc1nc2n(n1)C[C@@H](NCc1nc3ccccc3s1)CC2 69742735 KSHPAYRUUKACCT-NSHDSACASA-N 313.430 2.555 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cc(F)ccc1F 4121571 YLJKIBBONXEOPK-UHFFFAOYSA-N 318.279 2.902 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cn3ccc(C)cc3n2)c1 9115731 LWXXTCDKCUDXFT-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB NC(=O)c1ccc(NC(=O)CNc2cccc3c2CCCC3)cc1 8720403 XLHGDAYHJFRKOC-UHFFFAOYSA-N 323.396 2.715 0 40 DFAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C)OC(C)(C)C2)c1 65541396 ZTDQLIMJKBCITB-TZMCWYRMSA-N 319.401 2.682 0 40 DFAB CN(Cc1cccs1)C(=O)CSc1nnc(C2CC2)n1C 14244619 QXPUZXCEPQHUFT-UHFFFAOYSA-N 322.459 2.505 0 40 DFAB NC(=O)c1cc(-c2csc(N3CCCCC3)n2)ccc1O 6507921 UXFKNUAQHUXFFD-UHFFFAOYSA-N 303.387 2.605 0 40 DFAB CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 6650727 LXYGPWBTHVVRGU-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB O=C(Oc1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2 15838979 OYQPQRSJCHWOIV-UHFFFAOYSA-N 324.384 2.784 0 40 DFAB C[C@H](NC(C)(C)CNC(=O)C[C@@H]1CCCO1)c1ccccc1 68387202 XPEXWUOZYSFADB-HOCLYGCPSA-N 304.434 2.801 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@H]1COc2ccccc2O1 7757207 WRIPXTNUWHMBDR-GUOLPTJISA-N 301.367 2.718 0 40 DFAB O=C(Nc1cc2c(cc1C(=O)O)OCCO2)c1ccccc1F 7777864 NSLWACVHNSFDEV-UHFFFAOYSA-N 317.272 2.547 0 40 DFAB Cc1c(C(=O)Oc2ccc(-n3cnnn3)cc2)oc2ccccc12 7757390 QHESXIUDSJFKCZ-UHFFFAOYSA-N 320.308 2.936 0 40 DFAB Cc1ccccc1CNC(=O)CNc1cc(CO)ccc1Cl 68923444 GUAUJTDLIDKDFI-UHFFFAOYSA-N 318.804 2.869 0 40 DFAB CC(C)(C)c1nn(Cc2csc(-c3ccoc3)n2)c(=O)o1 89761532 RHTSZNYYJNWGQB-UHFFFAOYSA-N 305.359 2.899 0 40 DFAB C/C(=C\C(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(F)cc1 96313723 ABBMYODNUPFBDQ-ZRDIBKRKSA-N 306.381 2.602 0 40 DFAB Cc1oc(C)c(C(=O)N2CCSCC2)c1Br 71813657 SFUQFTDNGMKVFB-UHFFFAOYSA-N 304.209 2.848 0 40 DFAB COCCN(Cc1ccc(F)cc1Cl)C(=O)NC1CC1 71884005 ROAHJVGZKLOFBM-UHFFFAOYSA-N 300.761 2.800 0 40 DFAB COC(=O)c1cnc(/C=C/c2csc(N(C)C(C)=O)n2)s1 71855207 WMGIPPKMRZESQE-SNAWJCMRSA-N 323.399 2.539 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccs1 19901996 ALQKXZWMFYAODZ-UHFFFAOYSA-N 308.447 2.513 0 40 DFAB Cc1nc(CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 71911388 RJTSMGNCFXSYLD-INIZCTEOSA-N 315.373 2.695 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2nccs2)C1 171646061 AHCWWYMAOLCMRH-LBPRGKRZSA-N 316.382 2.892 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 72298674 HPWKGJGVRIYACP-AWEZNQCLSA-N 318.446 2.524 0 40 DFAB COCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccc(F)cc1C 72275669 DICACHPSCZHSTN-GDBMZVCRSA-N 323.364 2.535 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282917 GJNSTWXCGPDJSC-GWCFXTLKSA-N 302.378 2.524 0 40 DFAB CCc1cc(=O)c2cc(NC(=O)c3cncc(F)c3)ccc2[nH]1 97080826 XNNCFXQFGXDERR-UHFFFAOYSA-N 311.316 2.877 0 40 DFAB O=C(C[C@H](O)c1ccc(Cl)cc1)NCC[C@H]1CCCCO1 97080050 DAFKBSUDEWLSPE-CABCVRRESA-N 311.809 2.839 0 40 DFAB CCCc1cc(NC(=O)c2ccccc2N(C)C(=O)CC)n[nH]1 97010861 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DFAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)NC3CCCC3)C1)CO2 306137032 QJNFRBSHZLCNBF-SFHVURJKSA-N 300.402 2.983 0 40 DFAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCC1 30750933 WVZSVPBTKIRWSN-MRXNPFEDSA-N 304.434 2.755 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)OCCc2ccccc2F)c1 78715057 AGJBKPUYNAECFP-UHFFFAOYSA-N 322.357 2.629 0 40 DFAB COCc1cccc(CNC(=O)COc2cccnc2Cl)c1 77493782 IQHBNXGTIKDLFI-UHFFFAOYSA-N 320.776 2.577 0 40 DFAB Cc1cc(CCC(N)=O)cc([C@H]2CCCN2Cc2cccnc2)n1 72360466 NRCHAPQKGIFWQG-GOSISDBHSA-N 324.428 2.540 0 40 DFAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@H]1CCCO1 79043344 BFVHEKFYLTUQHC-CMPLNLGQSA-N 315.772 2.932 0 40 DFAB COc1cc(OC)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957062 NQSDKJUZLOWBFX-JTQLQIEISA-N 318.402 2.541 0 40 DFAB Cc1csc([C@@H]2COCCN2C(=O)N[C@@H](C)C2CCC2)n1 195571393 AEUWAXOXLZINLF-AAEUAGOBSA-N 309.435 2.723 0 40 DFAB NCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 138766812 RKFLCDRQGFRNHE-UHFFFAOYSA-N 302.249 2.854 0 40 DFAB CC(C)(C)SCCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 225785989 YWXBUGZNOOTUML-DZGCQCFKSA-N 310.507 2.993 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2cnns2)CC1 192352663 HISTYGAUCKTOJD-JTQLQIEISA-N 323.447 2.510 0 40 DFAB OC[C@@H](O)CNc1nc(-c2ccccc2C(F)(F)F)cs1 195571649 IYMFRDAWDHVBNV-QMMMGPOBSA-N 318.320 2.594 0 40 DFAB CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1C 96147636 HEAYCBDXZSPUNB-UHFFFAOYSA-N 321.384 2.684 0 40 DFAB CS(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 97164220 KJSZAXXSFMTEGI-LLVKDONJSA-N 308.428 2.787 0 40 DFAB Cc1ccc(CN2CCO[C@H]3CN(Cc4ccsc4)C[C@H]32)o1 96248786 LZIAEGBAHKDTTH-SJORKVTESA-N 318.442 2.735 0 40 DFAB O=C(NCc1csc(CCc2ccccc2)n1)[C@@H]1CCCO1 96459384 PVIALNJZDJBSAF-HNNXBMFYSA-N 316.426 2.724 0 40 DFAB CC[C@H](NCc1nnnn1-c1ccccc1)c1c(C)noc1C 97373949 QZLJMAVOORTFKC-AWEZNQCLSA-N 312.377 2.508 0 40 DFAB CCOC(=O)[C@@H]1C(=O)OC[C@H]1c1ccc(Cl)c(Cl)c1 242495342 GCBGUKRFOZBHTH-GZMMTYOYSA-N 303.141 2.813 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2ccc3[nH]ncc3c2)CC1 257215480 CQGWDPRAFLQALV-ZDUSSCGKSA-N 323.400 2.771 0 40 DFAB CN(Cc1ccccc1)c1nn(-c2ccccc2)nc1C(=O)O 256048250 RSUNINKMMGVFTG-UHFFFAOYSA-N 308.341 2.602 0 40 DFAB Cn1cnc(C(=O)N2CC[C@@H](Cc3ccnc4ccccc34)C2)c1 257253795 KAIOBUKQZFVIOR-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2cnc(-c3ncc[nH]3)cn2)CC1 257342582 ZPHKTMIPNKMRKV-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)s1 257205330 AYNNDVOOAZMLQY-RDJZCZTQSA-N 321.490 2.778 0 40 DFAB CN1[C@@H]2CN(C(=O)c3cncs3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257209629 BRFDMZRYLZQJQN-ZIEJDFEHSA-N 305.447 2.621 0 40 DFAB Cn1ccc(C(=O)N2CCCC[C@@H]3N[C@H](c4ccccc4)C[C@H]32)n1 257328506 XFXJIYMOYOXEMY-RYQLBKOJSA-N 324.428 2.518 0 40 DFAB c1c[nH]c(-c2nccnc2[C@@H]2CCCN2Cc2cscn2)n1 257294150 QSTSJPXGGGQECX-LBPRGKRZSA-N 312.402 2.660 0 40 DFAB COc1cncnc1NC(=O)N1CCC[C@@H]1c1cccs1 294178631 JXPJDYWIRZONJU-SNVBAGLBSA-N 304.375 2.916 0 40 DFAB Nc1nc(NCc2ccc(Cl)cc2)c(Cl)nc1C(=O)O 725325992 OIZPRVJDMTUWFK-UHFFFAOYSA-N 313.144 2.676 0 40 DFAB Cc1ncsc1CNC(=O)NCCO[C@@H]1CCCC[C@@H]1C 69595527 HTYLBMSVNBFJGB-WCQYABFASA-N 311.451 2.846 0 40 DFAB CCc1nnc2n1CCN(Cc1cc(-c3cccs3)on1)C2 69596535 YOHQOIQTUGYZJX-UHFFFAOYSA-N 315.402 2.573 0 40 DFAB CC(C)c1nc(C(=O)N2CCOC[C@@H]2c2cccn2C)cs1 97143974 UJJSIZQJOACYIT-CQSZACIVSA-N 319.430 2.819 0 40 DFAB CC1CCC(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 89798951 FAJGGXYGGWMBIT-FYOYPEGLSA-N 302.462 2.790 0 40 DFAB C[C@@H]1CC[C@@H](NC(=O)NCCCOC2CCOCC2)[C@H](C)C1 78941822 QIMFNAIROQJQAH-IIAWOOMASA-N 312.454 2.696 0 40 DFAB COc1ccc(CCNC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1OC 107362271 UFGLZDPANGENTA-PYTWLRIVSA-N 315.413 2.655 0 40 DFAB CSc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C)on2)cc1 95989634 WEFBUKLZARCXCT-LBPRGKRZSA-N 320.370 2.651 0 40 DFAB Cc1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 5188753 SPAZNANPPOTJNL-UHFFFAOYSA-N 303.383 2.716 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1ccco1 12154834 GOVCEZVNMMGCAT-WCQYABFASA-N 308.341 2.533 0 40 DFAB COc1ccccc1CCCNC(=O)C1Oc2ccccc2O1 12191985 IYJKHYWKMLBHNP-UHFFFAOYSA-N 313.353 2.542 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 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CC(C)CO[C@H](C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 40091980 QIINBYRKBZOKTG-CZUORRHYSA-N 310.413 2.606 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cn1 40143493 FFWNSPMXEQYMSY-ZDUSSCGKSA-N 319.430 2.575 0 40 DFAB CC(C)[C@H](NC(=O)NC1CCCCC1)c1nnc2n1CCC2 70038208 WCZYKGVFYSBIOA-AWEZNQCLSA-N 305.426 2.553 0 40 DFAB CC[C@@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCO1 29153962 BGOPQMVZNUKNGA-KBOKABMXSA-N 311.385 2.523 0 40 DFAB O=S(=O)(c1ccc(Br)cc1)N(Cl)Cl 1707814 ITFSYKWXFSXNHN-UHFFFAOYSA-N 304.980 2.747 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)N(C)Cc1ccccc1 6119978 QDFXNGGBWSSQBB-ZDUSSCGKSA-N 313.353 2.596 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1F 7686752 FSRCBRYJXVOOCG-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8556171 IGFIFSYEKPUPIM-LBPRGKRZSA-N 304.390 2.580 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC1 512437 QXVJEHAVYRHIKJ-UHFFFAOYSA-N 322.430 2.600 0 40 DFAB Cc1cn2c(=O)cc(COC(=O)C3CCCCC3)nc2s1 21538532 YTNZLXXINADGEY-UHFFFAOYSA-N 306.387 2.688 0 40 DFAB CC(C)c1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1 57811417 LVOPJCOPQQYTCY-UHFFFAOYSA-N 316.449 2.577 0 40 DFAB Cc1ncc(CN2c3ccccc3[C@H](C(N)=O)C[C@H]2C)s1 106574114 GMTZAQROBZPOMD-QMTHXVAHSA-N 301.415 2.819 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1Cc1ccccc1 55456593 BHBSWVNINXQMSO-MRXNPFEDSA-N 320.396 2.665 0 40 DFAB Cc1nc2ccccc2n1CCCNC(=O)Nc1ccccn1 43471330 VATCWGFMHCQYSC-UHFFFAOYSA-N 309.373 2.952 0 40 DFAB C[C@H](CNc1cc(Cl)nc(N)n1)N1CCc2sccc2C1 25500547 GYUYHUNTEXTSFU-SECBINFHSA-N 323.853 2.632 0 40 DFAB COCc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 25824057 VMMTWCDPJXPBLG-HNNXBMFYSA-N 310.353 2.898 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(C)ccc32)cc1 57019648 FWXUPXYPPMYJJE-QGZVFWFLSA-N 317.410 2.969 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c(OC(C)C)c1 108106221 DMBFMFRZIPQQIZ-BZUAXINKSA-N 318.417 2.901 0 40 DFAB COC(=O)[C@@H](C)Oc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978204 GKSNRDOUVIYZGR-SNVBAGLBSA-N 314.293 2.993 0 40 DFAB COc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C 22056202 ITARWNDPMUQOCB-OAQYLSRUSA-N 301.371 2.583 0 40 DFAB in-vitro O=C(c1cccc2ccccc12)N1CCC(n2cncn2)CC1 58159895 FRNSKGOXOSUYSH-UHFFFAOYSA-N 306.369 2.909 0 40 DFAB Cc1cccn2cc(CC(=O)NCCSC(F)(F)F)nc12 58263953 NCXJXTUIQYAWJR-UHFFFAOYSA-N 317.336 2.554 0 40 DFAB O=C(CCNC(=O)Nc1ccc(Cl)cc1)Nc1ccncc1 58226282 IWFCLHHATAQNMQ-UHFFFAOYSA-N 318.764 2.885 0 40 DFAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccs1 28048229 AIANMUSAVGKJBH-GFCCVEGCSA-N 304.375 2.582 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)c1ccn(-c2ccccc2)n1 44979610 XMGXKZKGDJRJPO-UHFFFAOYSA-N 323.400 2.657 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c(s1)CCCCC2 58377479 RYPPZOOUTKDVDJ-WCQYABFASA-N 320.458 2.743 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@H]1c1ccccc1 58407035 HOCJGARUOIQKBJ-INIZCTEOSA-N 304.353 2.855 0 40 DFAB COc1ccc2cc(C(=O)OCC(=O)c3ccc[nH]3)c(C)nc2c1 10725938 WNBSFDCEJDQTJG-UHFFFAOYSA-N 324.336 2.920 0 40 DFAB CCN1CCC[C@@H]1CNC(=S)Nc1ccc(C(C)=O)cc1 3347576 RFQAWMHLUBFJMD-OAHLLOKOSA-N 305.447 2.660 0 40 DFAB Cc1n[nH]c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)n1 28473303 FNKCUNUOMCUCTA-CYBMUJFWSA-N 304.419 2.893 0 40 DFAB COc1ccc(NC(=S)NC[C@H](c2ccco2)N(C)C)cc1 3330954 SXCXGYHJOMQXJD-CQSZACIVSA-N 319.430 2.878 0 40 DFAB O=C(COc1ccc(-c2nnco2)cc1)N1CCc2ccccc21 3353777 LOWNAYTZWRZMFI-UHFFFAOYSA-N 321.336 2.705 0 40 DFAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(F)c(F)c1 12779665 QGHSDKRWZDFGMR-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 69485135 SXQKEMARSLNHQK-CYBMUJFWSA-N 322.836 2.964 0 40 DFAB CCCn1nc(C(=O)NCc2ccccc2)c2ccccc2c1=O 3506539 MXVFGNLFAODDKB-UHFFFAOYSA-N 321.380 2.737 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)n2cc(Br)cn2)C1 28224246 PAUMLANYQOQGAD-OUAUKWLOSA-N 314.227 2.711 0 40 DFAB Cc1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1C 3598405 QHSICIAAWUIBOW-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB C/C=C/C=C/C(=O)NCc1cn2cc(Br)ccc2n1 48817121 DNEGMCKRXUMEFA-MQQKCMAXSA-N 320.190 2.845 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 48965815 UWXKUNRTNYDURZ-UHFFFAOYSA-N 309.412 2.641 0 40 DFAB C[C@H]1CN(CC2CCCC2)CCN1C[C@H](O)c1ccccc1 69840450 YRCIFVHAXMVPQE-LPHOPBHVSA-N 302.462 2.916 0 40 DFAB CC(C)Cc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 8751439 MNMBHADOFRGJTN-QGZVFWFLSA-N 310.397 2.842 0 40 DFAB COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccco1)CC3 5271434 AOJGUAZNGVJBBO-UHFFFAOYSA-N 309.325 2.544 0 40 DFAB CCn1nnc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc21 65513029 HAAREUPEUFDZKE-UHFFFAOYSA-N 319.368 2.863 0 40 DFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnccn1 14128574 PGEGHTUGVNGZGM-NFAWXSAZSA-N 320.389 2.637 0 40 DFAB O=C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CCN1 65903501 YWOBXXJWWZJBMX-UHFFFAOYSA-N 300.402 2.696 0 40 DFAB O=C1Nc2ccc(Br)cc2[C@]1(O)Cc1ccccc1 4722722 FUUOMXUCIJUCDR-OAHLLOKOSA-N 318.170 2.832 0 40 DFAB C[C@H](NC(=O)c1c(O)n(C)c2ccccc2c1=O)c1ccccc1 5729907 AVWDQNOZWYMWEU-LBPRGKRZSA-N 322.364 2.735 0 40 DFAB CCOCCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 4815741 HNIQHVDYUAYIRB-UHFFFAOYSA-N 321.402 2.503 0 40 DFAB Cc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)no1 8993913 AFDWZIUOZYLKEJ-JTQLQIEISA-N 314.341 2.999 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)NCc1cccs1 7297330 IJGOZOYWHRULBM-JTQLQIEISA-N 318.427 2.588 0 40 DFAB COc1ccccc1COC(=O)c1ccc(-n2cncn2)cc1 7281420 BVVJHHFXXYEBNK-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(F)cc1 7376529 KJHYPUKJBXDMNA-ACCUITESSA-N 305.374 2.959 0 40 DFAB COc1ccc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc12 7978567 NATACBSMEZFBCP-UHFFFAOYSA-N 313.353 2.785 0 40 DFAB COc1ccc2o/c(=N\Cc3ccccc3)c(C(N)=O)cc2c1 16695904 JNPBMMCDVNPKCR-ZZEZOPTASA-N 308.337 2.641 0 40 DFAB C[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12 19703428 BVTYYZQREOKDJA-JEOXALJRSA-N 303.365 2.898 0 40 DFAB biogenic Cc1ccc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)[nH]c2c1 72271207 JLONMEQNINKQTE-UHFFFAOYSA-N 309.369 2.711 0 40 DFAB CCOCC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 72290280 GTRFJNQETCNMFO-MRXNPFEDSA-N 311.809 2.649 0 40 DFAB COc1ccccc1CC(=O)N1CCCC[C@@H](N2CCCC2)C1 71886345 MJNZTRUOAPEIOU-QGZVFWFLSA-N 316.445 2.715 0 40 DFAB CC1CCN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 89929947 UWAWJAWONHPXNT-AWEZNQCLSA-N 313.405 2.770 0 40 DFAB COc1cccc(CN(C)C(=O)c2nc(C)ncc2Cl)c1 72296547 ADEYFMBBNFQMAN-UHFFFAOYSA-N 305.765 2.719 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)N[C@H](CO)c1ccccc1 72271027 XGUBGRGRCQWDTN-OAHLLOKOSA-N 316.405 2.936 0 40 DFAB O=C(C[C@@H]1CCc2ccccc21)N1CCC[C@H](n2cncn2)C1 72286007 VPUMQNBCWNDWIO-HOTGVXAUSA-N 310.401 2.562 0 40 DFAB Cc1occc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 97017809 RRRCRSYUOVAOSK-GFCCVEGCSA-N 301.342 2.951 0 40 DFAB CCNC(=O)CNc1ccnc2ccc(Br)cc12 97102994 HDTBTFCEZBMZLO-UHFFFAOYSA-N 308.179 2.545 0 40 DFAB Cc1n[nH]cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C 97159338 JTZKPUJKJQSCND-KRWDZBQOSA-N 301.390 2.976 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCOc3ccccc32)no1 76043374 XZJSQWJSOIWJCH-UONOGXRCSA-N 313.357 2.608 0 40 DFAB O=C(COC1CCCCC1)N1CCC[C@@H]1c1noc(C2CC2)n1 84543981 BTVQFBZYDZUASJ-CQSZACIVSA-N 319.405 2.960 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 76043162 KFRDVEJGKSVFTI-LLVKDONJSA-N 303.387 2.906 0 40 DFAB CC[C@](C)(CO)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 95399123 VXCWCTPRJSARGL-DSZSVDOYSA-N 312.454 2.668 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 78159290 CQDMIEBFJOKAEA-GCSSGZNBSA-N 303.377 2.859 0 40 DFAB CC[C@H](C)CN(C)C(=O)NCCOc1cccc(NC(C)=O)c1 78645541 FIGRAWVIOIXLQG-ZDUSSCGKSA-N 321.421 2.711 0 40 DFAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)CCc1cccn1C 74055887 NWEXEXAFIOWOFD-OLZOCXBDSA-N 316.449 2.681 0 40 DFAB CC1(C)C[C@H](NCCCN2CCCC2=O)c2ccccc2O1 95967159 VKOPUGLWJLRAIQ-HNNXBMFYSA-N 302.418 2.891 0 40 DFAB CSc1nc(-c2ccccc2)cn1CCCS(C)(=O)=O 95966020 FILVCLKAUFTDEY-UHFFFAOYSA-N 310.444 2.707 0 40 DFAB C[C@H](NCCOc1ccc(Br)cc1)c1cnn(C)c1 89516671 PULZGICMUPJXEG-NSHDSACASA-N 324.222 2.912 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)Nc1ccn(-c2ccccc2)n1 89544527 CUYHHTQXFIDCAT-UHFFFAOYSA-N 324.388 2.658 0 40 DFAB OCC[C@@H](Nc1ncc(Br)cn1)c1ccccc1 75145305 SLNCAJIVVYHOLB-GFCCVEGCSA-N 308.179 2.775 0 40 DFAB Cc1nn(CCNC(=O)N(C)c2ccccc2)c(C)c1Cl 75146137 NXEWODTZILHZCE-UHFFFAOYSA-N 306.797 2.999 0 40 DFAB COc1ccccc1NC(=O)NCCNc1cccc(C)n1 75139389 NKCZCYVUIKSWPK-UHFFFAOYSA-N 300.362 2.632 0 40 DFAB O=C(Cc1cnc(-n2cccc2)s1)NCCCc1ccco1 20736375 PXZIPTRSFQVAFC-UHFFFAOYSA-N 315.398 2.818 0 40 DFAB CCCOCc1c(I)cnn1C(F)F 408716428 MVWSMSITLVXSQW-UHFFFAOYSA-N 316.089 2.809 0 40 DFAB O=C(O)c1ccccc1CN1C[C@@H](CO)[C@H](c2ccsc2)C1 521464426 WDARRPFFYDJHHH-HOCLYGCPSA-N 317.410 2.654 0 40 DFAB Cn1ccc2c(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cccc21 75611317 URWJCGCNIGCCJV-AUUYWEPGSA-N 312.413 2.946 0 40 DFAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1 38873612 UCOWPVHYXMNBPE-MRXNPFEDSA-N 302.399 2.916 0 40 DFAB COCCCNC(=O)c1ccccc1NC(=O)C1CCCC1 78545427 BVCXCHIASXAYOK-UHFFFAOYSA-N 304.390 2.582 0 40 DFAB Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c(C)c1C 35170690 RYNAWDREHUUCHC-VXGBXAGGSA-N 311.447 2.718 0 40 DFAB CC(=O)NCCCOC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 77650555 NJYFKNNGCFWDCJ-MNOVXSKESA-N 313.756 2.652 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218361774 BVBAJLBCSCBTQJ-BZUAXINKSA-N 316.378 2.636 0 40 DFAB COc1cc(NC(N)=S)ccc1NC(=O)c1cccs1 72229779 XTHLAXMBIXCICY-UHFFFAOYSA-N 307.400 2.665 0 40 DFAB CCn1c(NC(=O)C2Cc3ccccc3C2)nc2cccnc21 565793111 JONXNMAFDNTINM-UHFFFAOYSA-N 306.369 2.805 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1cccc(C(F)F)c1 77697770 ONDWEMDMVSWLRV-NSHDSACASA-N 304.362 2.860 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)[C@@H]2COc3ccccc32)CC1 133663227 ODCYTICVRDBMNU-AIDBPNLOSA-N 302.418 2.588 0 40 DFAB CCOCCOc1ccc(NC(=O)C2(OC)CCCC2)c(C)n1 225887643 BJFQFLCRYPNWQU-UHFFFAOYSA-N 322.405 2.703 0 40 DFAB CCCOc1cccc(CNC[C@H]2CC(=O)N(C3CC3)C2)c1 568040388 NRKSPNAHNFINHL-OAHLLOKOSA-N 302.418 2.576 0 40 DFAB Cc1nc2nc3cc[nH]c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398337 ITOHIQIIVBFJML-UHFFFAOYSA-N 311.732 2.595 0 40 DFAB CCOC(=O)CN(C(=O)c1ccc(C)nc1)c1ccc(C)cc1 225600489 YKCVWNFYQURHEG-UHFFFAOYSA-N 312.369 2.908 0 40 DFAB CCOC(=O)N1CCC(N[C@H]2CCCC[C@H]2n2cccn2)CC1 96494315 ACWAEPRTRCCPJS-JKSUJKDBSA-N 320.437 2.577 0 40 DFAB O=C(NCCC[C@@H]1CCCCO1)N[C@H]1CCN(C2CCCC2)C1 96502998 FXQLYRRZWDPWTK-RDJZCZTQSA-N 323.481 2.652 0 40 DFAB CCO[C@H]1C[C@H](OC(=O)CCc2cnn(C)c2)C12CCCC2 96420400 UGRIVIMETKKMFS-GJZGRUSLSA-N 306.406 2.634 0 40 DFAB CO[C@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96219984 YZSYIMQNKYOCIP-KSZLIROESA-N 316.401 2.594 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCCC(C)C 96116245 MTRSYCSLTHDFMY-UHFFFAOYSA-N 301.390 2.762 0 40 DFAB biogenic Cc1cccc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 96046122 VQYJGOJNXVTYMG-BMGDILEWSA-N 310.401 2.532 0 40 DFAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3sccc3C)C2)n1 96038928 SGQZEUFMNHYHRD-MGPQQGTHSA-N 319.430 2.895 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)N[C@H](C)Cc1cccc(F)c1 96440394 IZFJLDUFOLMRSF-OLZOCXBDSA-N 310.413 2.853 0 40 DFAB CCOC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)N1C 96206570 TYTSPGXHJKBBEX-KRWDZBQOSA-N 303.450 2.547 0 40 DFAB CCOc1ccc(NC(=O)[C@H](CC)N2CCCC2=O)cc1C 96436230 CMJLZHWFEHGAHT-AWEZNQCLSA-N 304.390 2.733 0 40 DFAB CCc1oc(C(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cc1C 583619861 QYPJLNSVBXNAAE-JOYOIKCWSA-N 304.312 2.645 0 40 DFAB Cc1noc(C)c1CN1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 252001716 MPSHOBBCJQTEOS-CGTJXYLNSA-N 320.433 2.697 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2ccnc2C(C)C)n1 257314286 UWFGEPDJSZYWTA-AWEZNQCLSA-N 315.421 2.792 0 40 DFAB C[C@]1(C(=O)O)CCCN1CCC(=O)Nc1ccc(Cl)cc1 530208961 VUVBZTKRBCRAKN-OAHLLOKOSA-N 310.781 2.608 0 40 DFAB Cc1nc([C@H]2CCCN2c2cncc(-n3cccn3)n2)cs1 275037005 PHKXDCCLILZPHK-CYBMUJFWSA-N 312.402 2.769 0 40 DFAB O=C(c1ccc2[nH]cnc2c1)N1CCC(Oc2ccccn2)CC1 90607472 OELHFZCAFFOMGH-UHFFFAOYSA-N 322.368 2.642 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 56018327 UBOAGZDYZGCOBV-CVEARBPZSA-N 320.364 2.568 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1 58282699 HEILVPOOXROATQ-LBPRGKRZSA-N 319.792 2.893 0 40 DFAB CCc1cccc2c(CCNC(=O)Nc3nncs3)c[nH]c12 69738665 CQOWQMIBJJZXJH-UHFFFAOYSA-N 315.402 2.946 0 40 DFAB C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1cccnc1 88479895 ZIJJNMPWNVFQLF-GUYCJALGSA-N 305.422 2.773 0 40 DFAB OC[C@@H]1CCCCN1Cc1cccc(OCC(F)(F)F)c1 79879387 ZGNXFCJEDOIDES-ZDUSSCGKSA-N 303.324 2.975 0 40 DFAB C[C@@H]1O[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H](N)[C@H]1O 5351041 FNYXWTZNPWCPNY-CJODITQLSA-N 313.397 2.693 0 40 DFAB C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@](O)(C(=O)O)C[C@@]43C)[C@@H]1CC[C@@H]2O 5029317 FKKWIOKUFAJYAL-DKUYNMRHSA-N 322.445 2.816 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CNC(=O)[C@H]1[C@H](c1ccccc1)C2 5121157 SAJGXCJTYSNGJN-FCEWJHQRSA-N 323.392 2.873 0 40 DFAB CCOc1ccccc1OCC(=O)Nc1nnc(CC)s1 5658737 ZYULDDFFCIZMHS-UHFFFAOYSA-N 307.375 2.517 0 40 DFAB CCC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccncc2)C1 12088604 OQGCQLWCLMQSNL-OAHLLOKOSA-N 310.401 2.963 0 40 DFAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@H](C)C3)cc2C[C@@H]1C 12146817 JQSQXGCRXLSEOA-BIENJYKASA-N 316.445 2.749 0 40 DFAB Nc1nc(Nc2ccc(Cl)c(Cl)c2)c(N=O)c(=O)[nH]1 17314416 GJLCKMOETDZXJZ-UHFFFAOYSA-N 300.105 2.800 0 40 DFAB Cc1cc(N2CCN(CC(C)C)CC2)cc([C@H]2CCCN2)n1 19698258 GWOZUDNYYIAUMY-QGZVFWFLSA-N 302.466 2.593 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169354277 ZWQFPOZFWKRNRG-OAGGEKHMSA-N 314.404 2.796 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 3371902 AIPXFBGCADYFMV-GXTWGEPZSA-N 304.390 2.719 0 40 DFAB Cc1cc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)ccc1F 10612988 VKJQUNGRIWAMML-AWEZNQCLSA-N 312.344 2.876 0 40 DFAB O=C(Nc1ccccc1F)N1CCN(Cc2cccnc2)CC1 22327328 HYEVTWGZZWKOHJ-UHFFFAOYSA-N 314.364 2.570 0 40 DFAB Cc1c(C(=O)NCCc2ccc(F)cc2)[nH]c2c1C(=O)CCC2 25707692 PEEYRVANLVFLBJ-UHFFFAOYSA-N 314.360 2.954 0 40 DFAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]1COc2ccccc2C1 39998436 CLKQNLMZVUHBHM-ZDUSSCGKSA-N 313.401 2.907 0 40 DFAB c1ccc(CSc2ccc3nnc(-c4ccncc4)n3n2)nc1 4271414 HWHBWDQTUJRRPE-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB CCc1nnc(C2CCN(c3ncc(Cl)cn3)CC2)s1 2086848044 UKCXZDVGZHFCNO-UHFFFAOYSA-N 309.826 2.928 0 40 DFAB Cc1ccccc1[C@H]1CCN(C(=O)N2CCOCC2)CCS1 219299104 IGQXXYYJPPECDE-MRXNPFEDSA-N 320.458 2.927 0 40 DFAB O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3NC(=S)N12 103031696 ZCUMWWGVOPGRIY-CQSZACIVSA-N 307.378 2.597 0 40 DFAB COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C 30289662 UUFMRZDZNIEITC-UHFFFAOYSA-N 323.389 2.664 0 40 DFAB C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccccn1 31257052 XDOHFJGSJPTTNP-LLVKDONJSA-N 302.378 2.572 0 40 DFAB Cc1ccccc1CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 31736342 WEFQMNFKOHAGTI-CYBMUJFWSA-N 324.380 2.746 0 40 DFAB O=C(O)CCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 2446742 SDONCJCNOWUSMT-FLIBITNWSA-N 309.318 2.727 0 40 DFAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 82136 YLZLGSZQDOAPDS-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CCOC(=O)c1c(NC(C)=O)sc2c(NC(C)=O)cccc12 365834 CPXDUWFMUBZSCI-UHFFFAOYSA-N 320.370 2.995 0 40 DFAB Cc1ccc(-c2nc(C(=O)N3CCO[C@H](C)C3)cs2)cc1 11498124 PKGMUDPHGYHUNP-GFCCVEGCSA-N 302.399 2.979 0 40 DFAB O[C@H](CSc1ncnc2nc[nH]c12)c1ccc(Cl)cc1 2503737 YDYPCRKXHRPFFW-SNVBAGLBSA-N 306.778 2.832 0 40 DFAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)C1CC1 2515260 URWSHSYKHWUMOI-UHFFFAOYSA-N 301.386 2.618 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)NCc1ccc(F)cc1F 51356453 KMWXHPNHLSLMAQ-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB CC(C)CCNC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354014 SCSJRPFHWKEWCO-UHFFFAOYSA-N 301.745 2.798 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1 249049 QOVUUXSEBJYSRU-UHFFFAOYSA-N 313.419 2.705 0 40 DFAB CCOC(=O)c1cc2occc2n1CC(=O)N1CCCC[C@@H]1C 1337821 LLMUWHSRJCLWDW-LBPRGKRZSA-N 318.373 2.812 0 40 DFAB O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 219842 PQLPBSSZPGGVAU-OAHLLOKOSA-N 304.434 2.784 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)CC(=O)c3ccccc3)ccc21 1465697 SARNMGCZLNNNIL-UHFFFAOYSA-N 322.364 2.807 0 40 DFAB COc1ccc([C@H](N)Cc2cc(OC)c(OC)c(OC)c2)cc1 1663982 MZKCROQAONEDNL-OAHLLOKOSA-N 317.385 2.964 0 40 DFAB CN(C)c1nc(Cl)nc2c1nc(Cl)n2[C@@H]1CCCCO1 2048104 NVMKZCLWEGENCM-ZETCQYMHSA-N 316.192 2.898 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl 3188296 SBBIHHYZJMQAMT-HNNXBMFYSA-N 317.772 2.854 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@@H]1COc2ccccc2O1 3565433 PDSJPVRHJLJBAL-HNNXBMFYSA-N 303.745 2.796 0 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CCOCCCNC(=O)Cc1c(C)nc2ccccc2c1C 17401003 VDYVTIROWXGFRV-UHFFFAOYSA-N 300.402 2.937 0 40 DFAB CNC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSC 26488609 AYOMCHORDDJYGX-VIFPVBQESA-N 307.371 2.587 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cnc2ccccc21 69741329 LQFDLEVLFTXZBY-GJZGRUSLSA-N 323.400 2.658 0 40 DFAB O=C(Nc1cccc(CN2CCOC2=O)c1)OCC(F)(F)F 58016558 LCHPUFNJAMDMMR-UHFFFAOYSA-N 318.251 2.750 0 40 DFAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(O)CC1 58048599 GKRBDQJAQXJNKN-JTQLQIEISA-N 307.781 2.908 0 40 DFAB CN(Cc1ccsc1)C(=O)NC[C@H](c1ccco1)N(C)C 44891201 ICKBVWWNEFKUKV-CYBMUJFWSA-N 307.419 2.785 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccccn1 48171640 CSVCZVMKUPEFIC-ZDUSSCGKSA-N 311.389 2.960 0 40 DFAB NC(=O)[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12 3327339 MIQYSFAGWUISTE-CYBMUJFWSA-N 324.409 2.812 0 40 DFAB Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(C)o1 3319140 JRCUYAZYAQQOHL-UHFFFAOYSA-N 316.309 2.707 0 40 DFAB CC[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C)on1 28621616 LCEXVTOFLFFNNR-GFCCVEGCSA-N 317.345 2.583 0 40 DFAB CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)no2)cc1 11170997 VBMLTQICIQDJIH-CYBMUJFWSA-N 317.389 2.841 0 40 DFAB COC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 66781003 CHVLFWVGHPVMCW-LLVKDONJSA-N 306.337 2.564 0 40 DFAB CC(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3519266 VBGQJHFUUJIYAE-UHFFFAOYSA-N 316.386 2.835 0 40 DFAB O=C(CNc1cc(CO)ccc1Cl)NCCc1cccs1 69417553 WBXOWTMVBYVKNJ-UHFFFAOYSA-N 324.833 2.665 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 13170247 IGNXFZBNERKZJB-SNVBAGLBSA-N 301.264 2.642 0 40 DFAB COc1cc(CC(=O)NCc2ccc(C(=O)O)cc2)ccc1C 13272968 OLLLSJVVTRIRCY-UHFFFAOYSA-N 313.353 2.561 0 40 DFAB CSc1ccc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)cc1 17972115 XZQVNFAROXHJCE-OAHLLOKOSA-N 308.447 2.528 0 40 DFAB CC(C)Cn1ccnc1NC(=O)c1ccc(OC(C)C)nc1 64659835 NKIUIBVWVGCYSN-UHFFFAOYSA-N 302.378 2.974 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 65140339 AYQLLXXTVXLONO-HYVNUMGLSA-N 302.418 2.507 0 40 DFAB CC(C)C[C@@H](C)N(C)C(=O)NCc1cccnc1-n1cccn1 65405145 GIMRHMGKNZUYKD-CQSZACIVSA-N 315.421 2.843 0 40 DFAB CN(C)C(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 65576137 DHADYJQTWNWJMQ-UHFFFAOYSA-N 321.421 2.762 0 40 DFAB CNc1nnc(SCC(=O)N[C@@H](C)c2cccs2)s1 14162183 NLKKXFOBXXHKQV-ZETCQYMHSA-N 314.461 2.611 0 40 DFAB Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1nccs1 14214471 NBLSPZFYXBSZSB-UHFFFAOYSA-N 313.382 2.595 0 40 DFAB Cc1cc(C(=O)n2cc(C(=O)c3ccccc3O)cn2)c(C)o1 6553004 MOYVEYRQVXFSJW-UHFFFAOYSA-N 310.309 2.718 0 40 DFAB CC(C)COc1cccc(C(=O)N2CCC(C(=O)O)CC2)c1 66057296 MBNHAHRVMPGGQX-UHFFFAOYSA-N 305.374 2.658 0 40 DFAB CCn1cnnc1SCC(=O)Nc1ccc(SC)cc1 8705530 SZQINRSQDCIBPO-UHFFFAOYSA-N 308.432 2.751 0 40 DFAB CCc1noc(C)c1C(=O)OCc1nnc(-c2ccco2)o1 8709742 KEZVDEMBOBGTCO-UHFFFAOYSA-N 303.274 2.545 0 40 DFAB S=C(NCc1cccs1)N1CCn2c1nc1ccccc12 6653395 HBKDIRDFGINJLJ-UHFFFAOYSA-N 314.439 2.993 0 40 DFAB Cc1ccc2c(c1)C(=O)C(=O)N2Cc1nnc(-c2ccccc2)o1 4784147 MCQKBSXKYKXZJF-UHFFFAOYSA-N 319.320 2.775 0 40 DFAB Cc1noc(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2)n1 66204975 JPYMYMCOKFACNT-OAHLLOKOSA-N 314.389 2.685 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1 8845531 GVBKNSKTBPFNBE-QGZVFWFLSA-N 305.337 2.957 0 40 DFAB COc1ccccc1C(=O)Cn1nnc(-c2ccccc2C)n1 7048043 DNMBONBCLFUPJV-UHFFFAOYSA-N 308.341 2.540 0 40 DFAB CSCC[C@@H](NC(=O)c1ccco1)c1nnc2ccccn12 15973149 LYTGRNZUMIFSHC-LLVKDONJSA-N 316.386 2.547 0 40 DFAB NC(=O)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1 96749083 MPLZZRSMKHQMGC-UHFFFAOYSA-N 315.276 2.513 0 40 DFAB COc1cccnc1N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 89832383 YELGWVCAWVDNEP-NSHDSACASA-N 319.386 2.675 0 40 DFAB CC(=O)NC(C)(C)c1noc(-c2cc(C3CCCCC3)n[nH]2)n1 89954586 DTBWWTVDQJMXMJ-UHFFFAOYSA-N 317.393 2.879 0 40 DFAB Cc1ccc(C(=O)NCCc2nncn2C2CC2)cc1Cl 71896406 OXKHNKOUZDEZKS-UHFFFAOYSA-N 304.781 2.547 0 40 DFAB Cc1cc(NC(=O)N[C@H](CO)c2ccccc2)n(C(C)(C)C)n1 71803088 SNXMDOWJKCKRIH-CQSZACIVSA-N 316.405 2.802 0 40 DFAB CC(=O)NCCC(=O)NCc1ccc(-c2cccc(C)c2)cc1 71910475 NFFYLGCJSCPBBZ-UHFFFAOYSA-N 310.397 2.804 0 40 DFAB NC(=O)CC1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 97032673 AFXDJWDZIDQWFA-UHFFFAOYSA-N 318.314 2.932 0 40 DFAB Cc1ccccc1C[C@H](CNC(=O)c1occc1C)C(=O)O 97018824 MTQZTHRRBFTTQD-CQSZACIVSA-N 301.342 2.570 0 40 DFAB Cn1c(Cl)cnc1COC(=O)c1ccc2ncccc2c1 75572845 HJWCVJAZLOHEDL-UHFFFAOYSA-N 301.733 2.979 0 40 DFAB Cc1ncsc1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 97198756 SJOMZTBDSFQQHH-NSHDSACASA-N 318.446 2.690 0 40 DFAB Cc1ncsc1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 97198755 SJOMZTBDSFQQHH-LLVKDONJSA-N 318.446 2.690 0 40 DFAB CN1CCc2ccc(NC(=O)N(CCO)C3CCCCC3)cc21 97113873 HSNLKGVYVCYOHH-UHFFFAOYSA-N 317.433 2.838 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1 97109990 IKDXQEWXKCLVCF-VXGBXAGGSA-N 300.406 2.747 0 40 DFAB CC1(NC(=O)Nc2ccc(-n3cccn3)c(F)c2)CCOCC1 97229991 UEEISNUHQILKPJ-UHFFFAOYSA-N 318.352 2.702 0 40 DFAB O=c1ccc(-c2cccs2)nn1CN1CCc2ccccc2C1 72402779 UIMHJGQSFOHVHI-UHFFFAOYSA-N 323.421 2.988 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)c1cc2c([nH]c1=O)CCC2 84581925 VHOKDAKFGCPLBP-QGZVFWFLSA-N 308.381 2.671 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@](C)(O)c1ccccc1 95441974 ILAHGYAJRQTHCY-KZULUSFZSA-N 315.417 2.544 0 40 DFAB Cc1nnnn1-c1cccc(NCc2c[nH]nc2C(C)(C)C)c1 95428730 JBMKWRXNLOKUHA-UHFFFAOYSA-N 311.393 2.603 0 40 DFAB C[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccc(SC(F)F)cc1 95419513 SHIUWWVZGWQYFZ-ONGXEEELSA-N 321.414 2.839 0 40 DFAB CCCN(C(=O)CCc1nc[nH]n1)[C@H]1CCc2ccccc2C1 78694449 UTBLYGFHMWQZGC-INIZCTEOSA-N 312.417 2.533 0 40 DFAB COC(=O)c1c(C)nc(Nc2nc(C)c3ccccc3n2)nc1C 20634113 LVXFNHRIHXNATE-UHFFFAOYSA-N 323.356 2.875 0 40 DFAB Cc1cnc(CN(Cc2nc(C)cs2)C[C@@H]2CCCO2)cn1 95962579 XHKUOWDLPWDLQQ-HNNXBMFYSA-N 318.446 2.731 0 40 DFAB Cc1ccc([C@H]2CCCN2S(=O)(=O)CCOC(C)C)s1 75093608 HUKLGWAVCPOKOU-CYBMUJFWSA-N 317.476 2.948 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(C)C[C@@H]1C 89537073 SVVZUVULQZKDOK-LBPRGKRZSA-N 315.442 2.895 0 40 DFAB COc1ccc([C@@H](O)CNC(=O)OCc2ccccc2)cc1 170278131 JPNNYNMYEHJOKH-INIZCTEOSA-N 301.342 2.655 0 40 DFAB CN(C)c1cccc(CNc2ccc(Br)cn2)n1 301817099 FCFQDSATKXCMFZ-UHFFFAOYSA-N 307.195 2.917 0 40 DFAB COc1ccccc1N1C(=O)[C@H]2Cc3ccccc3CN2C1=O 488332 PMQYVKPJMFQFJY-OAHLLOKOSA-N 308.337 2.589 0 40 DFAB biogenic CCN(C)C(=O)c1cccc(OCc2noc(C3CC3)n2)c1 76698284 WYAGDIDNBWSCNU-UHFFFAOYSA-N 301.346 2.618 0 40 DFAB Cc1ccsc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 79440038 WZHFWDNNSKXSLY-NSHDSACASA-N 310.419 2.796 0 40 DFAB CCOC[C@@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 527883383 SXGMIYOJDDUVHB-KRWDZBQOSA-N 318.417 2.511 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 72241971 ZVCVGJCCWPUUHV-WBVHZDCISA-N 318.392 2.748 0 40 DFAB Cn1cncc1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 558431318 POPMCPWNKBQEKX-OAHLLOKOSA-N 303.793 2.980 0 40 DFAB CC(C)N(Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)N 79415559 YRJOIHDDZZOEJZ-FUHWJXTLSA-N 317.477 2.625 0 40 DFAB C[C@@H](Nc1cccc2c1OCCO2)C(=O)N(C)c1ccccc1 559718193 RIJDCNLFZRDSQA-CYBMUJFWSA-N 312.369 2.921 0 40 DFAB CN1C[C@@H](C(=O)O)[C@H](c2ccc(OCc3ccccc3)cc2)C1 217667050 XEWWCNVQEAMEAP-ZWKOTPCHSA-N 311.381 2.995 0 40 DFAB COC(=O)c1ccc(C(=O)NCCc2sc(C)nc2C)cc1 78713516 LSSYQQCUNVASRN-UHFFFAOYSA-N 318.398 2.519 0 40 DFAB CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NCC2 70638247 FPFZEUTXAJKFOE-UHFFFAOYSA-N 312.394 2.947 0 40 DFAB C[C@H](NC(=O)c1cc[nH]n1)c1noc(-c2ccc(Cl)cc2)n1 79607241 RTOLHAOQMXYZEJ-QMMMGPOBSA-N 317.736 2.604 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccsc1)c1cnc(C2CC2)s1 565250188 ISKFFRIHBDWFSM-SNVBAGLBSA-N 308.384 2.638 0 40 DFAB Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 47276238 WWWJDHPHFWTHQR-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB Cc1cnccc1CCN1CCN(Cc2ccsc2)CC1 567497043 CUTJQNNWDBMZEL-UHFFFAOYSA-N 301.459 2.812 0 40 DFAB Cc1cc(S(=O)(=O)NCCN(C)c2ccccc2)ccc1F 225607530 KHKLFUNEQZNDCM-UHFFFAOYSA-N 322.405 2.549 0 40 DFAB O=C(CN1CC[C@H](c2cccnc2)C1)Nc1ccc(F)cc1F 568389722 XEWPZHOZZCCSDP-ZDUSSCGKSA-N 317.339 2.788 0 40 DFAB COc1ccc(-c2noc(CNC(=O)C3CCCC3)n2)cc1 41348546 POGUSUCANRDIAH-UHFFFAOYSA-N 301.346 2.552 0 40 DFAB COCCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl 41095540 CPYLORDWEUMVOI-UHFFFAOYSA-N 312.218 2.617 0 40 DFAB CCNC(=O)c1cc2nc(C(=O)OC)n(C3CC3)c2cc1Cl 225731303 QIGONFXPEVUALE-UHFFFAOYSA-N 321.764 2.561 0 40 DFAB CCN1CCN(c2cccc(NCc3cncs3)c2)CC1 191883727 AIRIMOJLACMYSO-UHFFFAOYSA-N 302.447 2.897 0 40 DFAB CSC[C@H](C)NC(=O)c1ncccc1OCC(F)(F)F 84112573 DDTJPOIOUGSDRY-QMMMGPOBSA-N 308.325 2.504 0 40 DFAB Cc1onc(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1C(=O)O 571931977 YDTMZFYEEDUMFA-IAQYHMDHSA-N 316.357 2.643 0 40 DFAB O=S(=O)(Cc1ccccc1F)NCCSC1CCCC1 225435390 SNQYBJNPMFHWFM-UHFFFAOYSA-N 317.451 2.921 0 40 DFAB CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Cc1ccccc1O 96411479 JHSJYIAKLYRPGA-PBHICJAKSA-N 305.418 2.892 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CN1C(C)C 96240296 MBECSYASAYUEAR-INIZCTEOSA-N 306.450 2.991 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039466 BADKSTCELMBBIQ-AEFFLSMTSA-N 320.433 2.679 0 40 DFAB CN1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 96404002 DOODRXCSYGWDOL-KBPBESRZSA-N 314.351 2.933 0 40 DFAB C[C@@H]1SCCN(CCN2CCCC2=O)[C@@H]1c1ccccc1 96411374 RQZXDLQVWDPTKJ-YOEHRIQHSA-N 304.459 2.787 0 40 DFAB C[C@H](NC(=O)C[C@H]1CCCO1)[C@H](O)c1c(F)cccc1Cl 245289718 DQDUADYJHADUFP-WMFXKJRFSA-N 315.772 2.586 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)cs1 257313634 UTLCXWNGYKDGQG-CYBMUJFWSA-N 318.446 2.507 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c(C)c1 256047778 ORBFZKQLTFGXQC-UHFFFAOYSA-N 314.389 2.963 0 40 DFAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(c3ncccn3)C[C@@H]21 96063728 ZNDMEKYWEMTVBW-FGTMMUONSA-N 323.444 2.609 0 40 DFAB Cc1cc(Br)c(O)c(C(=O)Nc2nncs2)c1 47827404 BODAZLLXPXHUIX-UHFFFAOYSA-N 314.164 2.567 0 40 DFAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1Cc1cccc(F)c1 56981347 XBGBTCGVJZRCIP-HNNXBMFYSA-N 324.359 2.944 0 40 DFAB CCCc1nc(COc2ccc(OC)cc2C(N)=O)cs1 58343624 WALCGLRXMQHZIO-UHFFFAOYSA-N 306.387 2.782 0 40 DFAB COC(=O)C(C)(C)c1ccc(NCc2cn3cccnc3n2)cc1 89761848 VURZGGSKKAVYMO-UHFFFAOYSA-N 324.384 2.792 0 40 DFAB CNC(=O)c1cccc(CN[C@H](C)Cc2ccccc2OC)c1 95420947 WAAQCMFZJPSVCG-CQSZACIVSA-N 312.413 2.776 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1 95430019 NMFWOJNOXHRNSX-ZBEGNZNMSA-N 303.333 2.686 0 40 DFAB O=C(Cc1cccc(O)c1)Nc1ncn(C2CCCCC2)n1 97107858 HMZBVUWKMMDAGS-UHFFFAOYSA-N 300.362 2.670 0 40 DFAB CC1CCN(Cn2nc(-c3ccccc3Cl)n(C)c2=O)CC1 5427621 FPQBIZQYYUEILQ-UHFFFAOYSA-N 320.824 2.592 0 40 DFAB CC(C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 5690025 HVDHUXGWPOEUTP-FMIVXFBMSA-N 322.386 2.561 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC(O)(c2cccnc2)CC1 12113229 KXDUGEIEMLMJAY-UHFFFAOYSA-N 316.788 2.859 0 40 DFAB CCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 19796447 NDFZPDJRRHFZPH-UHFFFAOYSA-N 317.370 2.798 0 40 DFAB C1CCc2sc(CCNC3CCC4(CC3)OCCO4)nc2C1 156572098 BZLVEVRWKMQDNE-UHFFFAOYSA-N 322.474 2.840 0 40 DFAB O=C(N1CCOCC1)N1CCS[C@H](c2cccs2)CC1 219538087 XLMOQRGZDZOIAA-ZDUSSCGKSA-N 312.460 2.680 0 40 DFAB Fc1ccc2ncnc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)c2c1 1889128214 BLUCQRBYCGZSSH-CHWSQXEVSA-N 312.392 2.689 0 40 DFAB CC[C@H]1CO[C@@]2(CCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1565552028 ZMOKGHJKZGTBLN-ACJLOTCBSA-N 319.401 2.735 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccncc3)CC2=O)cc1C 4272605 IHGXPSRSSVSBOK-HNNXBMFYSA-N 324.384 2.625 0 40 DFAB Cc1cc(NC(=O)CN2CC[C@H](C)C[C@@H]2c2ccco2)no1 96441794 LCEVJEXCBQCLCU-WCQYABFASA-N 303.362 2.988 0 40 DFAB CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 50062987 ZFMIBOOEKMQFBF-LBPRGKRZSA-N 316.405 2.531 0 40 DFAB C[C@H]1CO[C@H](C)CN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 40082878 YHSVQYJGQQENNJ-WDEREUQCSA-N 319.792 2.980 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)c2n[nH]c3ccccc23)cc1 30206817 OQYRUDZCUGSEEX-UHFFFAOYSA-N 323.352 2.622 0 40 DFAB C[C@H](NC(=O)c1cccnc1N(C)C)c1ccc(F)cc1F 31698111 WNDUKRLAGWIATL-JTQLQIEISA-N 305.328 2.917 0 40 DFAB O=C(c1ccccc1)c1nn2c(nc(=O)c3ccccc32)s1 75646 FCVLUAXNSTXHJL-UHFFFAOYSA-N 307.334 2.535 0 40 DFAB O[C@H]1Cc2ccccc2[C@H]1NCc1cccc2c1OCCCO2 51188060 CKDPGLXFTDXOAH-FUHWJXTLSA-N 311.381 2.596 0 40 DFAB COc1ccc(NC(=O)CN(C)C(=O)CC2CCCC2)cc1 8313257 PPRYPGJMGRFZRX-UHFFFAOYSA-N 304.390 2.672 0 40 DFAB C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 70172870 VGASLXXFLCZSGM-BDAKNGLRSA-N 317.252 2.710 0 40 DFAB Cc1cccn2c(CCCc3nnc4c(C)cccn34)nnc12 1567443 JBHRPQAAXWTBBW-UHFFFAOYSA-N 306.373 2.564 0 40 DFAB CCCN(CCC)CCN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1610816 SGJLSJKEOUQRSI-SFHVURJKSA-N 317.433 2.576 0 40 DFAB CC(C)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 4904060 HHFOJJPMYGVDGR-UHFFFAOYSA-N 307.785 2.796 0 40 DFAB COCCCNC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 6306620 ZWJZXURJUTZZNJ-UHFFFAOYSA-N 316.401 2.633 0 40 DFAB C[C@H](Cc1ccccc1)N(C)CN1C(=O)c2ccccc2C1=O 21486711 UFVKVHHVJCRZAD-CQSZACIVSA-N 308.381 2.803 0 40 DFAB CN(C(=O)COc1ccc(Cl)cc1C(N)=O)C1CCCCC1 7022589 JEWUKYBXVLRSJD-UHFFFAOYSA-N 324.808 2.609 0 40 DFAB C[C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)C(N)=O 7578541 HEFZZBWOLHNYPY-LURJTMIESA-N 314.823 2.901 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(C(F)(F)F)cc1 32809065 MQAZNUNWQNRTGZ-SECBINFHSA-N 310.275 2.885 0 40 DFAB CCOc1ccc(Br)cc1CN[C@H](CC)CO 8327051 FAZAYOLYZWSVRO-GFCCVEGCSA-N 302.212 2.708 0 40 DFAB Cc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(C)s1 69662708 CVCDRLNWKSYEHD-UHFFFAOYSA-N 316.430 2.872 0 40 DFAB Cc1ccc(Oc2ccc(N[C@@H]3CC(=O)N(C)C3=O)cc2)cc1 102616138 XVBBYRWWUOGKNI-MRXNPFEDSA-N 310.353 2.957 0 40 DFAB COc1ccccc1C(=S)NCc1ccc2c(c1)OCO2 9188140 HYXIPCGIHPQXJH-UHFFFAOYSA-N 301.367 2.889 0 40 DFAB COc1ccc(-c2csc(N3CCOCC3)n2)c(OC)c1 41863536 YSORAVWJSORUIQ-UHFFFAOYSA-N 306.387 2.664 0 40 DFAB COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 1006561 LJMVDVAAVCOMKV-UHFFFAOYSA-N 312.797 2.701 0 40 DFAB COc1ccc(C(=O)CNC(=O)CSc2ccccc2)cc1 83937731 IGXSVMDLAXGFJI-UHFFFAOYSA-N 315.394 2.786 0 40 DFAB O=C(NCCNC(=O)c1ccccc1)Nc1ccccc1Cl 43146756 QVIGXWYIUJXTDE-UHFFFAOYSA-N 317.776 2.892 0 40 DFAB CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1cccs1 55339765 CKZVQIYGLOKGMH-HNNXBMFYSA-N 317.458 2.720 0 40 DFAB COc1cccc(C(=O)N2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1 100609695 NTGCURASHQAGLR-IIDMSEBBSA-N 314.429 2.642 0 40 DFAB COc1cc(NCC(=O)N(C)C)ccc1NC(=O)OC(C)(C)C 55865966 UMABTIZXOSOWBK-UHFFFAOYSA-N 323.393 2.542 0 40 DFAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 100426821 JFWHVRSGGOLTEX-HZPDHXFCSA-N 317.458 2.905 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccsc2)C[C@H](C)O1 21058372 KFIIWRDJTISJLU-KBPBESRZSA-N 324.490 2.685 0 40 DFAB Cc1ccc2nc(Cl)c([C@H]3NC(=O)[C@H]4CCCN34)cc2c1 35343851 RHLYDZNZNSDIMV-HIFRSBDPSA-N 301.777 2.789 0 40 DFAB Cc1ccc(-c2nnc(Cn3ncc4ccccc4c3=O)o2)cc1 12462091 RNNHUBHQJKWYFT-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB CC(C)CCNC(=O)Nc1ccc(CN2CCOC2=O)cc1 59358095 RFCYTCCVSXNATJ-UHFFFAOYSA-N 305.378 2.806 0 40 DFAB O=C(CSC[C@@H](O)c1ccccc1)NCc1ccccc1F 58311865 DJRGXNORIZENAN-MRXNPFEDSA-N 319.401 2.909 0 40 DFAB CC(=O)N1CCC(C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 45198534 YQKBZKLKDMIXJI-UHFFFAOYSA-N 318.392 2.575 0 40 DFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccncc1 3212291 FEEVVWXKPVCPQX-UHFFFAOYSA-N 313.338 2.715 0 40 DFAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1cccs1 3357776 ONKVVDCKCXKDRF-UHFFFAOYSA-N 319.382 2.655 0 40 DFAB Cc1csc(CCNC(=O)N(Cc2ccccn2)C2CC2)n1 48261861 KUKOGRHYHZIJMH-UHFFFAOYSA-N 316.430 2.763 0 40 DFAB Cc1ccoc1-c1nnc(CSc2nnnn2CC(C)C)o1 69705380 AGGOZVQOLDERLY-UHFFFAOYSA-N 320.378 2.573 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NCC(C)(C)c1ccccc1F 69872384 ICBGBBIJULSHMR-CYBMUJFWSA-N 318.396 2.688 0 40 DFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1cccs1 69814606 JBMVKWMRWWFPLI-CQSZACIVSA-N 314.410 2.902 0 40 DFAB CC(C)COC[C@H](C)NC(=O)c1ccccc1-c1cncnc1 78103357 SYOWOENVFZXEFZ-AWEZNQCLSA-N 313.401 2.935 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2nccc3ccccc23)cn1 69917830 WDVUPYVJKMYWMA-MRXNPFEDSA-N 306.369 2.946 0 40 DFAB CC(C)n1cnnc1SC[C@@H](O)COCc1ccccc1 66400168 WDXZBNJKXKSDDG-AWEZNQCLSA-N 307.419 2.529 0 40 DFAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc(-n2cncn2)cc1 14185039 JSYJEQYHJVAOQC-CQSZACIVSA-N 306.369 2.687 0 40 DFAB O=C(CCCOc1ccc(Cl)cc1Cl)NCCCO 4866402 CXYFETMHLHCWMN-UHFFFAOYSA-N 306.189 2.651 0 40 DFAB O=C(COc1ccccc1)OCC(=O)c1c[nH]c2ccccc12 6839820 IKQPCRWJMSKCNU-UHFFFAOYSA-N 309.321 2.973 0 40 DFAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCC(F)(F)F 5826984 RKLKTZOENBGVEE-UHFFFAOYSA-N 323.727 2.987 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CCCC3)n2)cc1 5867364 DWZWUNNJTXIJBZ-LBPRGKRZSA-N 316.430 2.883 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnnn1C 7495235 QKQYJBGKTXRUAC-UHFFFAOYSA-N 320.809 2.650 0 40 DFAB CC[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 69203499 GQCUXPHGUSHQJV-VXGBXAGGSA-N 311.376 2.889 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 69368842 AIWJUPXKOHKJNA-HNNXBMFYSA-N 324.852 2.876 0 40 DFAB CN(CC1CCOCC1)C(=O)NCCC1Cc2ccccc2C1 96489022 HKFUBNBFZJTSCH-UHFFFAOYSA-N 316.445 2.860 0 40 DFAB c1cnn(C[C@@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)c1 71875558 ZZBAUYDACFAIEF-SFHVURJKSA-N 307.401 2.733 0 40 DFAB O=S(=O)(N1CCCC1)N1CCC[C@H]1c1ccc(Cl)cc1 71856536 UQGHVQIKYNDOLE-AWEZNQCLSA-N 314.838 2.818 0 40 DFAB COC[C@H](NC(=O)c1cc[nH]n1)c1cccc(C(F)(F)F)c1 71911033 FZDHAZVMYACJGP-LBPRGKRZSA-N 313.279 2.546 0 40 DFAB c1ccc(CCN2CCC[C@H]2c2nnc3n2CCCCC3)nc1 71915622 FYZLHWIAXLHNBX-INIZCTEOSA-N 311.433 2.779 0 40 DFAB O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ccccc21 89858145 RTRABVBKKUXONU-WBVHZDCISA-N 306.365 2.916 0 40 DFAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc3ncccn3n2)cc1 72292640 GCUCYNIPURSSBP-HUUCEWRRSA-N 321.384 2.990 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2csc(COC)n2)no1 72299837 ANDVLKQREYUDRM-NSHDSACASA-N 308.407 2.572 0 40 DFAB C[C@H](NC(=O)NCCOc1ccc(F)cc1F)c1ccncc1 72270040 IVEQHEAJVXRXQE-NSHDSACASA-N 321.327 2.799 0 40 DFAB Cc1nn(-c2ccccc2)cc1C(=O)N[C@H](CO)c1ccccc1 97047529 OMLIDHOIFLJAFH-GOSISDBHSA-N 321.380 2.644 0 40 DFAB COc1ccc(-n2ncc(C(=O)NC3CC3)c2-n2cccc2)cc1 22574511 YZRVPQQTNRXAHN-UHFFFAOYSA-N 322.368 2.564 0 40 DFAB COc1ccc2c(c1)N(Cc1ccc([S@@](C)=O)cc1)CCO2 97143307 BFKUINDULLJCAP-QFIPXVFZSA-N 317.410 2.832 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cccnc3)C[C@@H]21 97112745 UJNQMTCFQVUDIK-HRCADAONSA-N 317.433 2.817 0 40 DFAB Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3C)C2=O)cc1 75520894 AEPJEJWQKBJOCD-QGZVFWFLSA-N 308.381 2.839 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccccn1 75602123 DKIWQNDCYWVDAO-LBPRGKRZSA-N 304.781 2.754 0 40 DFAB O=C(Nc1cccc2cccnc12)N1CCCC2(C1)OCCO2 84493940 PZJUEFWYIDGKCP-UHFFFAOYSA-N 313.357 2.606 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)Cc2c(C)noc2C)no1 76043362 VPEOJSKRJVAIFX-LKFCYVNXSA-N 318.377 2.525 0 40 DFAB CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(C)=O)cc1 84812112 JHFSYNWVSRRLOF-MLGOLLRUSA-N 320.458 2.987 0 40 DFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccncc1Cl 88270237 LZJRIFKUKSCEIB-YPMHNXCESA-N 310.781 2.587 0 40 DFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccco1 88270189 HVGFFDFRDWPNKU-RQJABVFESA-N 305.374 2.621 0 40 DFAB Cc1ccncc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 85235491 UFAPSSOKQNTQQT-UHFFFAOYSA-N 302.277 2.608 0 40 DFAB CCc1ncc(CN(CC(=O)O)C(=O)c2cccc(C)c2)s1 95997230 UEWDPLMDTSCBHI-UHFFFAOYSA-N 318.398 2.741 0 40 DFAB CC(C)[C@@H]1CC[C@H](C)CCN1S(=O)(=O)C1CCOCC1 95960109 ZFUNZDUEMULSRK-ZFWWWQNUSA-N 303.468 2.642 0 40 DFAB CS(=O)(=O)N1CCC[C@H](CN2CCCCc3ccccc32)C1 85822824 RRYMFGRIEWODGY-OAHLLOKOSA-N 322.474 2.501 0 40 DFAB COc1cccc(CCNC(=O)c2ccc(-c3cnco3)cc2)n1 79056995 MIVMERJCBJQLTJ-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccccc2OC)cc1OC 21912804 BNYFQUNNGUGAJV-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB Cc1noc([C@@H]2CC[C@H](CN[C@H]3CCc4ccccc4C3)O2)n1 548345965 YJJOHLPELWJTIG-BBWFWOEESA-N 313.401 2.745 0 40 DFAB Cc1cccc(CCC(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)c1 516851374 CODIWIBVRMIZHK-UHFFFAOYSA-N 314.389 2.512 0 40 DFAB Cc1ccc(C)c(-n2ncc(N[C@@H](C)CS(C)(=O)=O)c2C)c1 181237399 WIWXBMWNVVDFKY-ZDUSSCGKSA-N 321.446 2.643 0 40 DFAB CC[C@H](C)C[C@@H](NC(=O)c1cccc2c1CCC2=O)C(=O)OC 5468493 YTCJREVRPOFTPT-XHDPSFHLSA-N 317.385 2.523 0 40 DFAB biogenic O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1 32912588 WTMBGFRYMXVUIB-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB CCOc1ccc(CN2C[C@H]3CCCN3C[C@@H]2C)cc1OC 72324462 FRBLNVBKHLGKHH-GOEBONIOSA-N 304.434 2.762 0 40 DFAB CCc1nnc(NC(=O)N2CCC[C@@]2(CO)CC(C)C)s1 189490791 BWXSBXUEVQWTDH-AWEZNQCLSA-N 312.439 2.505 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)nc1)OCO2 36798587 DGZABIGGGDVFDC-UHFFFAOYSA-N 318.716 2.919 0 40 DFAB O=C(c1ccc(O)cc1F)N1CCCCC[C@@H]1c1ncon1 189599172 OBVZYGRQCJRUCP-CYBMUJFWSA-N 305.309 2.672 0 40 DFAB Cc1noc(C)c1CC(=O)NCCc1ccc(OC(F)F)cc1 32739428 IPAZITSGRFUDMD-UHFFFAOYSA-N 324.327 2.794 0 40 DFAB CC[C@@H](NC(=O)c1csnn1)c1nc(C(F)(F)F)cs1 73278770 DENBWVDOWKVNEE-RXMQYKEDSA-N 322.337 2.895 0 40 DFAB C[C@@H]1C[C@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)O1 79030286 MUDYXKRKPXHHEQ-YGRLFVJLSA-N 300.314 2.648 0 40 DFAB CC1(C)Cc2occc2[C@@H](NC[C@@H]2COC3(CCOCC3)O2)C1 183941302 SPGGUTYQJGUCMU-HIFRSBDPSA-N 321.417 2.805 0 40 DFAB O=C1c2cnc(N3CCCC3)nc2CN1CCC1=CCCCC1 46087679 VCAQAGSIXQMNNZ-UHFFFAOYSA-N 312.417 2.923 0 40 DFAB COc1cccc2ccc(CN3C[C@@H]4CCCN4C[C@@H]3C)nc12 72324525 NWKYCNGZJOCDCF-YOEHRIQHSA-N 311.429 2.912 0 40 DFAB Cc1ccc(S(=O)(=O)CC(=O)c2cccnc2C)cc1C 521395107 JWDQFBNWROSMCQ-UHFFFAOYSA-N 303.383 2.663 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 225570492 SESABZQAOJDMBI-NEPJUHHUSA-N 324.446 2.520 0 40 DFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C 222734107 CYRVHKUFHHBHBP-HUUCEWRRSA-N 300.431 2.639 0 40 DFAB CCC1(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)CCCC1 132395176 KKAMLRABRAZBPY-UHFFFAOYSA-N 321.465 2.611 0 40 DFAB CCN(CC)C(=O)COc1nn(-c2ccccc2)cc1Cl 227152093 UOTSKGGZYCVIHU-UHFFFAOYSA-N 307.781 2.773 0 40 DFAB CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1cnc2ccccc2c1 131312872 VJWYYMYGQNFHDW-UGSOOPFHSA-N 300.402 2.691 0 40 DFAB COCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 224403965 XAQARRMQOAXUKF-UHFFFAOYSA-N 303.333 2.911 0 40 DFAB COCc1cnc2n1CCN(C(=O)c1sccc1C)[C@H]2C 96109550 SPAJCVZIMNYZBU-NSHDSACASA-N 305.403 2.616 0 40 DFAB CC(C)COc1ccc([C@@H](C)NC(=O)N2CC[C@H](CO)C2)cc1 96467262 AZJDIDHBACKNKO-CABCVRRESA-N 320.433 2.806 0 40 DFAB O=C(O)CCc1nc2cccc(Cl)c2n1C[C@@H]1CCCO1 95095641 FXVWQNBGCZLWRD-JTQLQIEISA-N 308.765 2.886 0 40 DFAB Cc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)s1 96084110 HCZVSJQVPVJCPL-UHFFFAOYSA-N 316.474 2.934 0 40 DFAB O=C(Nc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 96452131 GLTXVZAZZYZRRR-LURJTMIESA-N 320.570 2.783 0 40 DFAB CO[C@H]1CCCCC[C@@H]1NC(=O)N(CC(C)(C)O)C(C)C 96483815 UQUUEGJZXMMBOR-KBPBESRZSA-N 300.443 2.525 0 40 DFAB OCc1c(-c2ccc(F)cc2)nn2ccnc(N3CCCC3)c12 96530836 YACYOAUHLDGRTM-UHFFFAOYSA-N 312.348 2.628 0 40 DFAB CCOc1ccc2c(c1)O[C@@]1(C=C2)CCN(c2ncccn2)C1 96345726 LHMLKRSWKZACML-SFHVURJKSA-N 309.369 2.930 0 40 DFAB O=C1CCC2(CCN(c3cccnc3)CC2)N1Cc1ccncc1 96228219 BEDCLKWRBHDUGC-UHFFFAOYSA-N 322.412 2.638 0 40 DFAB c1cc(COC[C@@]23CCCO[C@H]2CCN(CC2CC2)C3)ccn1 96040206 ZYEGLNDIFPNSDT-OALUTQOASA-N 316.445 2.879 0 40 DFAB COC(=O)[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)C(C)(C)C 96412454 SOIASKNOLYKFPY-OAHLLOKOSA-N 320.364 2.553 0 40 DFAB COC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247839999 KNTMEBYVITYQBB-KRWDZBQOSA-N 308.385 2.635 0 40 DFAB Nc1ccc2cc(-n3cnc(-c4ccccc4)n3)c(=O)oc2c1 255188916 MNVYHVPXQKEXND-UHFFFAOYSA-N 304.309 2.623 0 40 DFAB CC(=O)N1CCC(Cc2cc(-c3nc(C)cs3)ncn2)CC1 257212135 CCBNMBJSKLLDQR-UHFFFAOYSA-N 316.430 2.710 0 40 DFAB C[C@H](CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1ccccc1 252494204 NOGZSYHVJGUPQZ-DJIMGWMZSA-N 313.397 2.933 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ccncn4)C3)cc2[nH]1 257260753 LEECBIKSKBQTRV-CQSZACIVSA-N 321.384 2.681 0 40 DFAB CN(C)c1cccc([C@H]2CN(Cc3ccsc3)CCO2)n1 257269623 MQSJUIIFXHXPPE-OAHLLOKOSA-N 303.431 2.783 0 40 DFAB Cn1cncc1-c1nccnc1[C@H]1CCCN(c2ccccn2)C1 257218675 DEBNZDIIFWRXBZ-AWEZNQCLSA-N 320.400 2.656 0 40 DFAB C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 252581599 CBKCEJDSHOYQQO-RBSFLKMASA-N 319.453 2.630 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)c1c(C)nc2ccccc2c1C 252483143 DVYSERKVEYGQML-XHDPSFHLSA-N 318.442 2.694 0 40 DFAB CC(C)(C)n1nccc1NC(=O)NCc1ccc(C(=O)O)cc1 263130799 YDUDBSWIJMDISP-UHFFFAOYSA-N 316.361 2.658 0 40 DFAB CCOC(=O)c1cnc2c(OCC)cc(Br)cn12 575332166 LRMYJBHRJSBVAM-UHFFFAOYSA-N 313.151 2.672 0 40 DFAB CCc1noc(C)c1NC(=O)NC[C@H]1CCN(C(C)(C)C)C1 585101384 FTQFIVVSAHUFEX-GFCCVEGCSA-N 308.426 2.787 0 40 DFAB Cc1cnccc1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 585269133 KJEHOBFCODDZIH-SFHVURJKSA-N 316.376 2.545 0 40 DFAB Cc1cnccc1CCNC(=O)N1CCC(OCC2CC2)CC1 677282653 KGZRBRFNJCVKPV-UHFFFAOYSA-N 317.433 2.533 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)N[C@H]1C[C@H]1c1ccccc1 67554537 IEJCOUFKNOBBCM-HOCLYGCPSA-N 319.368 2.945 0 40 DFAB Cc1nc(CN2CCC[C@@H](NCc3ccc(C)s3)C2)no1 69490121 KQYHYRVZVUFJCD-CYBMUJFWSA-N 306.435 2.502 0 40 DFAB Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3ccc[nH]3)nc12 69568357 ZPRJKKLDQXCGMN-MRXNPFEDSA-N 308.385 2.877 0 40 DFAB O=C(CCNC(=O)C1CCCC1)Nc1ccnn1C1CCCC1 75510485 YJIUZIFSZRWYRW-UHFFFAOYSA-N 318.421 2.633 0 40 DFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 5091612 FWHAWEQYBQLNQH-YALNPMBYSA-N 309.365 2.953 0 40 DFAB Cn1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cn1 13993999 NIVDTKRSJDPWNZ-KRWDZBQOSA-N 303.381 2.740 0 40 DFAB CCn1cc(C2CCN([C@@H](C(=O)O)c3ccsc3)CC2)cn1 517035536 MOQFIFPBAKNMBJ-OAHLLOKOSA-N 319.430 2.970 0 40 DFAB CCC[C@@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@H]2O1 899618 VAYQNUBOZLPGDH-XPLICSAQSA-N 308.330 2.579 0 40 DFAB biogenic CCn1nccc1C(=O)Nc1nnc(-c2cccc(Cl)c2)o1 13699001 UQMPVHCNKYBRIU-UHFFFAOYSA-N 317.736 2.859 0 40 DFAB Cc1ccc2oc(=O)c(S(=O)(=O)N3CCCCCC3)cc2c1 15862236 ICOAYXVIRVEXOB-UHFFFAOYSA-N 321.398 2.666 0 40 DFAB COc1ccc(C(=O)N2CCc3nc4ncccc4cc3C2)cc1 1890008012 VWIYDDRFKAOLAW-UHFFFAOYSA-N 319.364 2.837 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@H]3CCCO3)cc2F)c1 96431520 OKRAMOSCGUZARW-BLLLJJGKSA-N 317.364 2.676 0 40 DFAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccn1 25406013 SNUGEZLPVPLAIN-ZFWWWQNUSA-N 323.396 2.850 0 40 DFAB COc1ccc(CNC(=O)c2cc(F)ccc2F)cc1OC 20029751 ULCDJDFYSZNMFT-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB Cc1c(C(=O)NCC2CC2)cnn1-c1ccc(C(F)(F)F)cn1 30793367 BTDSNSOUGFLKBM-UHFFFAOYSA-N 324.306 2.734 0 40 DFAB CN(Cc1ccco1)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 40496976 FLWXCTVGPIHETK-IZZDOVSWSA-N 324.380 2.844 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)c1cccnc1N(C)C 31714122 PMWATUYDCQIUAQ-UHFFFAOYSA-N 311.385 2.749 0 40 DFAB Cc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1C 581878 GICNWDGXUGXKAN-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB Cc1cc(C)cc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 11409550 RKESPJLTSFCTFF-UHFFFAOYSA-N 317.414 2.929 0 40 DFAB O=C(O)CC1(CC(=O)N=c2[nH]c3ccccc3[nH]2)CCCCC1 29010018 LQASHNIDMDEJSC-UHFFFAOYSA-N 315.373 2.739 0 40 DFAB C[C@@H](CN(C)C)Sc1nnc(S[C@H](C)CN(C)C)s1 1586599 IUGLVPPXKQVUQL-AOOOYVTPSA-N 320.553 2.623 0 40 DFAB COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 4094193 VIFMFBHTJUIBPY-YXJHDRRASA-N 314.429 2.642 0 40 DFAB COc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1OC 20734881 FBDDBLKANJDJLR-ZDUSSCGKSA-N 305.359 2.851 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(F)c1 7413823 VRIMOVDIQZOQJU-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 7928712 ATRDAPFXXRXSMN-AWEZNQCLSA-N 323.348 2.848 0 40 DFAB CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 108533896 VHQFZXJPOFUZNX-YJBOKZPZSA-N 304.409 2.906 0 40 DFAB Cc1ncsc1C(=O)NCCNc1nc2ccccc2s1 52564411 GOPMBJJMXBTBKU-UHFFFAOYSA-N 318.427 2.903 0 40 DFAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCC3)n2)o1 12052152 MGUXLVPKKZMJNF-UHFFFAOYSA-N 319.386 2.778 0 40 DFAB COC(=O)c1c(C)nn(-c2nc3ccc(OC)cc3s2)c1C 57351359 IMXQPJKDTFWCTJ-UHFFFAOYSA-N 317.370 2.894 0 40 DFAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1csc3ccccc13)CCO2 107720267 YRTKMIVSMPEWMO-IIAWOOMASA-N 317.410 2.920 0 40 DFAB O=C(C[C@H]1CCOC1)Nc1ccnn1-c1ccc(Cl)cc1 76067927 BVPHXJWSRFJKOK-LLVKDONJSA-N 305.765 2.891 0 40 DFAB Cc1ccc(-n2ccnc2)c(C(=O)NCc2ccccc2CO)c1 76082816 AXFHRZKZVROPNV-UHFFFAOYSA-N 321.380 2.603 0 40 DFAB C[C@H](NC(=O)c1nnc2ccc(Cl)cc2n1)c1ccccn1 57279280 TZOKEVVMJPFYLT-VIFPVBQESA-N 313.748 2.564 0 40 DFAB Cc1ccc(C(=O)OCc2noc(-c3ccc(F)cc3)n2)cn1 24131607 ASTRTZDKGQHBKZ-UHFFFAOYSA-N 313.288 2.936 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)CCc1nc2ccccc2s1 24805324 WAGUHZJXXDYARJ-LBPRGKRZSA-N 314.414 2.630 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C(=O)[C@H]2CCCN2C1=O 25150751 NVJIMBCTASMTIT-CQSZACIVSA-N 311.341 2.577 0 40 DFAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)C1 107351540 JOZUEJGXGBBYFH-ZTFGCOKTSA-N 322.408 2.667 0 40 DFAB CC(C)c1ccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)cc1 20156333 OMBKQGMKMNNDOO-UHFFFAOYSA-N 304.371 2.646 0 40 DFAB CC(C)OCCCNC(=O)CCc1nc(-c2ccsc2)no1 44873296 FZENXALRGCSKQW-UHFFFAOYSA-N 323.418 2.662 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c12 27886704 YUJUGKBZFUEWII-XPTSAGLGSA-N 315.373 2.706 0 40 DFAB CC1CCN(CCCNC(=O)c2cccc(N(C)C)c2)CC1 28067963 VRUMMXHGLFHCEJ-UHFFFAOYSA-N 303.450 2.604 0 40 DFAB O=C(NCCSc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681399 QKICWPWQTIMZSR-MRVWCRGKSA-N 310.394 2.537 0 40 DFAB O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccccc1 10754429 DKCSRTGWLWIQOA-UHFFFAOYSA-N 309.369 2.629 0 40 DFAB COc1cccc(CCC(=O)Nc2c(C)nn(C)c2C)c1OC 48263240 XCAZUOUYGBMCRT-UHFFFAOYSA-N 317.389 2.625 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)CO2 48279750 UGCOYZGJOCUWHB-UHFFFAOYSA-N 322.364 2.919 0 40 DFAB Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)sc2ccccc12 12935743 DSHVVJFUFBEWEV-OAHLLOKOSA-N 323.439 2.517 0 40 DFAB CC[C@H](Sc1nc(C)n[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 5001315 LAUAOWLPWDAFBG-ZDUSSCGKSA-N 318.402 2.825 0 40 DFAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)C2CCCCC2)C1=O 69438820 ILSHQKFERDTZTD-INIZCTEOSA-N 320.414 2.665 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)NCc1ccccc1 6114933 JJEDDCLJGGSXLW-LBPRGKRZSA-N 312.398 2.526 0 40 DFAB Nn1c(SCc2cc(-c3ccccc3)no2)nnc1C1CC1 14112344 ABDBTYOLSQYCQQ-UHFFFAOYSA-N 313.386 2.817 0 40 DFAB Cc1cnc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1 7007164 NGDGPPOXBGLPMU-UHFFFAOYSA-N 309.291 2.776 0 40 DFAB Cc1ccc(CNC(=O)NC2(C)CCC2)c(N2CCCC2)n1 96004681 UYEMUYHBQGIICG-UHFFFAOYSA-N 302.422 2.732 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1C 19736090 KLXBSGAJEYJHAE-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB CCC(CC)NC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9364105 SEYWJXMOQOTXIO-OAHLLOKOSA-N 301.390 2.526 0 40 DFAB CC(C)n1nnc(-c2ccc(C(=O)Nc3nccs3)cc2)n1 96224334 BNNIYGNZXPCTNF-UHFFFAOYSA-N 314.374 2.630 0 40 DFAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 9468441 NNQLTZNUCQBBGM-ZDUSSCGKSA-N 319.405 2.976 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2cn3c(C)cc(C)nc3n2)c1 71875807 ANCMSZUNIGXKLR-KRWDZBQOSA-N 324.432 2.516 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2cnc(C)cn2)C12CCCC2 71920758 VNGANJGIPGCXNB-GJZGRUSLSA-N 303.406 2.595 0 40 DFAB COc1ccc(C(=O)NCc2ncc[nH]2)cc1OC1CCCC1 97107308 ILSUXNBZYRZZNC-UHFFFAOYSA-N 315.373 2.670 0 40 DFAB O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CCC(O)CC1 84393394 QDIVDMQNERFKIF-KBPBESRZSA-N 324.218 2.536 0 40 DFAB CC[C@H](Oc1ccccc1)C(=O)NC1(C(=O)OC)CCCCC1 24980560 ICBONCGVUZRDEW-HNNXBMFYSA-N 319.401 2.836 0 40 DFAB CC(C)Oc1ncccc1CN[C@@H]1CCN(CC(F)(F)F)C1 84621956 OACYQTFXQYHOOY-CYBMUJFWSA-N 317.355 2.595 0 40 DFAB CC[C@H](CNC(=O)N1CCC[C@H](CO)C1)Oc1cccc(C)c1 84733623 CFBMPDDAXJABMQ-JKSUJKDBSA-N 320.433 2.566 0 40 DFAB Cc1ccc(OCc2csc([C@H]3CCCO3)n2)c(CO)n1 95442477 XKESERZXCNJLOP-CQSZACIVSA-N 306.387 2.769 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CC[C@@]2(CCOC2)C1 95427123 DLLCVBRNVJHGGC-DOTOQJQBSA-N 322.449 2.690 0 40 DFAB CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(C)=O)cc1 84812114 JHFSYNWVSRRLOF-BLLLJJGKSA-N 320.458 2.987 0 40 DFAB Cn1c(COC(=O)C2C3CC4CC(C3)CC2C4)nnc1C1CC1 95989751 HQMUJGAMEFCBQZ-UHFFFAOYSA-N 315.417 2.808 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@H]1NCc1nnc2n1CCCCC2 95987739 NZZQCROMYYXCSB-KGLIPLIRSA-N 306.454 2.688 0 40 DFAB OCCOc1ccc(OCCc2ccc3c(c2)CCO3)cc1 95941903 ZNQCGNMZTAKZIW-UHFFFAOYSA-N 300.354 2.614 0 40 DFAB Clc1cnccc1N1CC[C@H](OCCN2CCCCC2)C1 95974201 CBBWGQUJPAZWGY-AWEZNQCLSA-N 309.841 2.816 0 40 DFAB CC(C)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1 95974431 MNRVKZGOOAEHCS-RDJZCZTQSA-N 320.433 2.776 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)N2CCC[C@H](CO)C2)cc1 74584641 CQXIOECBPDNXLR-CABCVRRESA-N 320.433 2.603 0 40 DFAB COc1cccc(N2CCN(CCN3CCC[C@@H](C)C3)CC2)c1 75092789 NIOAMJSXYYKFJZ-QGZVFWFLSA-N 317.477 2.549 0 40 DFAB C[C@@H](Oc1ccc(C(N)=O)cc1)c1nc(Cc2ccccc2)no1 75147076 QGJVBVUBJBBJEX-GFCCVEGCSA-N 323.352 2.899 0 40 DFAB Cc1nc(C)c(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)s1 75107236 TUFDZXYXOYZMMQ-MRVPVSSYSA-N 306.435 2.928 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1 77105143 PKXALKLRKFCFSK-GFCCVEGCSA-N 308.230 2.837 0 40 DFAB CS(=O)(=O)c1ccccc1N1CCC[C@@H]1c1ccccn1 530669379 QTKVVBWNMPFUAK-CQSZACIVSA-N 302.399 2.827 0 40 DFAB CC(C)c1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 32477269 MZOQMIIQDFFJNU-UHFFFAOYSA-N 318.398 2.854 0 40 DFAB COc1cccc2cc(C(=O)NC[C@](C)(O)CCSC)oc12 75157495 CJXDNDLATDSZGI-MRXNPFEDSA-N 323.414 2.675 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1CC1CCC1 558074018 NXKVRGJKNHHNQY-NHYWBVRUSA-N 305.422 2.548 0 40 DFAB CC(=O)N1CCC(N[C@H](C)c2cnn(C3CCCC3)c2)CC1 558623816 RQTAHQNOZWXILQ-CYBMUJFWSA-N 304.438 2.660 0 40 DFAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)c1nnnn1C 188969127 CIVPSRUHINBVKV-SSDOTTSWSA-N 308.798 2.604 0 40 DFAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1F 71979871 WIQPFAAHRCKVHJ-CHHLVHLRSA-N 321.348 2.658 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1C 75081342 QBQSZUHWVHJPKL-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB Cc1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)c(C)c1 225281051 REJXYYFADFMWOO-INIZCTEOSA-N 311.381 2.802 0 40 DFAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1 225903570 SGGHICQVPWZNST-MRXNPFEDSA-N 310.394 2.641 0 40 DFAB COc1ccc(OC)c2c1ncc1c(=O)n(-c3ccccc3)[nH]c12 40175622 JRRMHLQOXUBYDW-UHFFFAOYSA-N 321.336 2.884 0 40 DFAB O=C(CSc1ccc(F)cc1)NCc1cnn2c1CCCC2 225610074 XSTDLFXSPBBGMD-UHFFFAOYSA-N 319.405 2.767 0 40 DFAB CC(C)NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 229702917 ASOMGODJEYJOFE-XLAORIBOSA-N 317.477 2.999 0 40 DFAB Cc1cccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)c1 144235854 ZSCKHTBGXFXURW-SFHVURJKSA-N 312.413 2.793 0 40 DFAB Cc1cnc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)s1 96439233 YVDKFHRHYRDDNG-WCQYABFASA-N 311.451 2.846 0 40 DFAB O=C(C1CCC1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96157419 DSTZSURHKUMYPM-UHFFFAOYSA-N 313.445 2.696 0 40 DFAB CS[C@H]1CCC[C@H]1N(C)C(=O)NCCCc1cn[nH]c1C 96484014 VQXVDEKZNWAGIO-KGLIPLIRSA-N 310.467 2.576 0 40 DFAB Cc1cccc(C)c1N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 96685748 WUDVXDRXYNKRPU-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB CN(C(=O)COc1cccc(C(F)(F)F)n1)c1nccs1 96494646 IBBMAINZULOCLK-UHFFFAOYSA-N 317.292 2.599 0 40 DFAB Cc1ncsc1C(=O)OCC1CCN(CC(F)(F)F)CC1 96442073 BJLLBHPHTGQDLY-UHFFFAOYSA-N 322.352 2.883 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc(Cl)s1)C2 97199181 LPLJTQYSYPSYDX-NSHDSACASA-N 323.849 2.970 0 40 DFAB c1ccc2c(c1)OC[C@@H](CCn1cc(-c3nccs3)nn1)O2 95374978 DXZAOWOYUNBIGZ-LLVKDONJSA-N 314.370 2.632 0 40 DFAB O=C(O)[C@@H](c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1 95869879 HRGJPQKVHPAVSZ-OAHLLOKOSA-N 320.776 2.881 0 40 DFAB CS[C@H]1CC[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C1 96487641 RNDPLEYZLDLAIY-UWVGGRQHSA-N 321.414 2.668 0 40 DFAB Cn1cccc1CN1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C1 248667576 XCRIFBUSTZOOPS-IMJJTQAJSA-N 319.449 2.760 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)OC1 245339122 QPAWSHLGVYZCLH-FICVDOATSA-N 307.434 2.814 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl 257274609 NLVPBVJIHFQLBY-DOMZBBRYSA-N 308.809 2.728 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 257336689 YPPGFGLSHUYBFH-HNNXBMFYSA-N 313.401 2.869 0 40 DFAB CC(=O)N1CCC[C@H](c2nccnc2-c2cnn(C(C)C)c2)C1 257233739 GQNMOHASYMRVJF-AWEZNQCLSA-N 313.405 2.647 0 40 DFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCC2=O)cc1 260492805 WNUFBUUFXVZMCX-BHYGNILZSA-N 312.413 2.727 0 40 DFAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2cccnc21 585139982 SQBZCKKEORMCBR-NSHDSACASA-N 318.760 2.928 0 40 DFAB COc1ccc2c(c1)OCC(CN[C@H](C)[C@@H](C)n1cccn1)=C2 69368812 OHLUGLVSRXTKTO-ZIAGYGMSSA-N 313.401 2.907 0 40 DFAB COc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1C 69491544 VCTGZYVDBDUXDY-HZPDHXFCSA-N 302.418 2.702 0 40 DFAB CN(C)c1ncccc1C(=O)NCc1nc(C(C)(C)C)cs1 69892638 XVMJZZYXFDNKGM-UHFFFAOYSA-N 318.446 2.832 0 40 DFAB COc1cc(C)c(S(=O)(=O)Cc2ccccc2)cc1OC 69885704 JXGQPWGSLFZPSU-UHFFFAOYSA-N 306.383 2.986 0 40 DFAB CCCc1cc(NS(=O)(=O)c2cccc3ncccc23)n[nH]1 89960440 FKHBTOMHWHYIGA-UHFFFAOYSA-N 316.386 2.711 0 40 DFAB Cc1cnccc1NS(=O)(=O)c1cc(F)ccc1Cl 75137625 NXAJIHBOEBFCBU-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB Cc1cc2c(N3CCN(c4cccc(C)c4C)CC3)nccn2n1 302331127 UHKWHZLQGFDDEH-UHFFFAOYSA-N 321.428 2.981 0 40 DFAB Cc1ncc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)s1 580337533 HYWMVNYAKVNWBR-MRXNPFEDSA-N 302.399 2.680 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]1 14152488 JJYVVGQSBQHFTG-UHFFFAOYSA-N 316.308 2.863 0 40 DFAB S=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1C[C@H]2CC[C@@H]1C2 16191041 UEFKYSQXRIZFRP-DMDPSCGWSA-N 304.415 2.933 0 40 DFAB COC(=O)c1c(N(C)C(=O)C(F)(F)F)sc2c1CCCC2 226306911 WZVAESVNPOAGTC-UHFFFAOYSA-N 321.320 2.939 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(C2CC2)on1 390827715 JJHAATJPQCJADR-ZDUSSCGKSA-N 316.361 2.570 0 40 DFAB COc1ccc(CNC(=S)N(C)c2ccc(O)cc2)cc1 3287747 JREUHPBMCUOZFC-UHFFFAOYSA-N 302.399 2.912 0 40 DFAB Fc1cnc(OC2CCN(c3ncccc3Cl)CC2)nc1 1776009355 GGPTVSUKKBWEPO-UHFFFAOYSA-N 308.744 2.712 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2ccc(F)cn2)cs1 2037845525 ADELBRBLHPAJMB-AWEZNQCLSA-N 320.393 2.973 0 40 DFAB CCCCN(C(=O)c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 4504369 KMUQVUMSXXQCBQ-MRXNPFEDSA-N 323.458 2.733 0 40 DFAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCNC2)on1 19122601 GHFKTRDXHNODIP-ZDUSSCGKSA-N 313.405 2.507 0 40 DFAB CC(C)c1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1 40096942 NYBQWIMKDVMGBY-KRWDZBQOSA-N 319.449 2.778 0 40 DFAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100173613 YGXYDYAYCQSPGI-CZPYZCIJSA-N 303.745 2.563 0 40 DFAB Cc1ccc(CCNC(=O)NCc2c(C)noc2C)c(C)c1 69658755 PSJGVSALQIYDFW-UHFFFAOYSA-N 301.390 2.950 0 40 DFAB Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1 2550209 PQSFNXDANMRJHO-UHFFFAOYSA-N 321.373 2.688 0 40 DFAB C[C@@H]1CCCCCN1C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 101136176 CVPFGMNSLLEBHX-GFCCVEGCSA-N 324.384 2.581 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCc3ccccc3CC2)cc1 1598553 LBEQPUMCFYHPIM-UHFFFAOYSA-N 301.411 2.785 0 40 DFAB CC(C)(C)c1nnc(N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)s1 89761552 YMQASIMLPOXXKV-YNEHKIRRSA-N 306.479 2.756 0 40 DFAB COc1ccc(NC(=S)NCCCOC(C)C)c(OC)c1 2783955 DVSWJPOFBNZLNI-UHFFFAOYSA-N 312.435 2.805 0 40 DFAB CN(C)c1ccc(-c2noc(C(=O)NC3CCCCC3)n2)cc1 20730923 QOJZVHLYRLDMNF-UHFFFAOYSA-N 314.389 2.865 0 40 DFAB CCn1c(S)nc2cc(C(=O)NC(C)(C)CC)ccc2c1=O 102171298 XPSULFHRNYXIHD-UHFFFAOYSA-N 319.430 2.624 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccc(Cl)s1 32701993 UTVKFQHGVDYBDC-GXSJLCMTSA-N 314.838 2.522 0 40 DFAB COc1ccccc1CC1CCN(C(=O)[C@H]2CCOC2)CC1 102379059 XZUAUPMSFMMXES-INIZCTEOSA-N 303.402 2.513 0 40 DFAB CC(=O)N1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 29694263 BXDFNCRIBPWUMD-UHFFFAOYSA-N 317.820 2.861 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NCCc1ccc(Cl)cc1 10090054 ILCKNVATDVJMSR-UHFFFAOYSA-N 319.836 2.982 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)c1ccc2c(c1)OCO2 53190983 KLZNRZFKNJTJPQ-LLVKDONJSA-N 301.317 2.915 0 40 DFAB Cc1cccc(C)c1-n1nnnc1COc1ccc(C=O)cc1 60423083 WMZIMCWGYCKZKI-UHFFFAOYSA-N 308.341 2.671 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 42037778 JMXJAADACIIFQA-CYBMUJFWSA-N 314.385 2.892 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 9828086 GTMCHEBPAZLCHX-UHFFFAOYSA-N 310.353 2.712 0 40 DFAB COc1cc(NC(=O)CN(C)C2CCCC2)cc(OC)c1OC 53814243 LBHATEXCZUKQMI-UHFFFAOYSA-N 322.405 2.525 0 40 DFAB Brc1cncc(-c2n[nH]c3c2[C@@H]2CC[C@@H](C3)N2)c1 110751338 TZBAZCPFBXKZNL-UWVGGRQHSA-N 305.179 2.583 0 40 DFAB COCCNC(=O)c1sc(N(C)c2ccccc2)nc1C 22237632 WHJWBTBFRKOZIM-UHFFFAOYSA-N 305.403 2.596 0 40 DFAB c1ccc(Cc2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)cc1 106108293 DNBUPWFBXSUZBB-HZPDHXFCSA-N 313.401 2.804 0 40 DFAB CNC(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391116 YBBBSKGXYKSISI-UHFFFAOYSA-N 311.168 2.563 0 40 DFAB CC(C)c1nnc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)s1 43695996 UTTOYCAREFTMKX-JTQLQIEISA-N 310.423 2.694 0 40 DFAB CCc1ccc(CN(C)C(=O)NCc2ccnc(OC)c2)cc1 26306608 RFWBIQYLKZZEAI-UHFFFAOYSA-N 313.401 2.994 0 40 DFAB CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21 57445161 JUKYWIMBYSNUGK-SJORKVTESA-N 314.429 2.971 0 40 DFAB O=C(NCc1ccccc1)c1cc[n+](Cc2ccccc2)cc1 3184542 HCWUGLSWESTINS-UHFFFAOYSA-O 303.385 2.952 0 40 DFAB Cc1ccc(Cn2nccc2NC(=O)NC[C@H]2CCCO2)s1 58173936 KAVYDJNCCKINEY-GFCCVEGCSA-N 320.418 2.602 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1 58245471 KJZIYGRLKUQYNX-VXGBXAGGSA-N 323.393 2.549 0 40 DFAB Cc1nc(C)n(C[C@H](O)Cn2c(C)c(C)c3cc(F)ccc32)n1 28297192 XSAVNRJISQVPKW-OAHLLOKOSA-N 316.380 2.667 0 40 DFAB CCNC(=O)c1ccc(NC(=O)NCc2ccco2)c(C)c1 48108653 LWRVFBQJDVBXTG-UHFFFAOYSA-N 301.346 2.659 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 3446525 QNTAVQMLBZEWPC-UHFFFAOYSA-N 324.380 2.609 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCC[C@@H](n2cccn2)C1 69420787 XBDOEFFXOFMUGE-GFCCVEGCSA-N 302.403 2.694 0 40 DFAB Cc1cnn(C[C@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69512495 YNZUHJRREZMACM-INIZCTEOSA-N 309.417 2.615 0 40 DFAB COCCN(CCOC)C(=O)c1cc2cc(Cl)ccc2[nH]1 5346771 LVBSJYKNAZCBCZ-UHFFFAOYSA-N 310.781 2.556 0 40 DFAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3CC3)n2)s1 14116200 AQZYADQKSSGZTG-UHFFFAOYSA-N 321.427 2.856 0 40 DFAB COc1ccccc1OCC(=O)N1CCC(c2ccccc2)=N1 14216822 IIRJUHBTWJRTSP-UHFFFAOYSA-N 310.353 2.711 0 40 DFAB CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 14827541 CYJMNUXHUACOGA-UHFFFAOYSA-N 324.446 2.846 0 40 DFAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(N)=O)n1 9250006 PRQLTYRBQALTCM-UHFFFAOYSA-N 315.398 2.528 0 40 DFAB CCN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1 19371306 RGMHQYBQSMZQDI-UHFFFAOYSA-N 306.793 2.584 0 40 DFAB O=C1Nc2ccccc2[C@@]12CC(c1cc3ccccc3o1)=NN2 9340996 DBUCWWXZNMFKPR-SFHVURJKSA-N 303.321 2.978 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 9336773 ZFLLPDZKCCTLTE-SECBINFHSA-N 308.765 2.731 0 40 DFAB CCNC(=O)[C@@H](C)Sc1nc(NC2CC2)c2ccccc2n1 9593701 LEJZLFIIWGSYJU-SNVBAGLBSA-N 316.430 2.821 0 40 DFAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@@H]1COCCO1 71884438 PQLNFEXVOCQEQZ-HNNXBMFYSA-N 317.316 2.972 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1 71865749 DZXLWNZYYVTSEX-OAHLLOKOSA-N 323.400 2.534 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](C)CC2)c2c(C)nn(C)c2n1 71841917 JJZSFBSZLZVMEQ-NSHDSACASA-N 300.406 2.847 0 40 DFAB COc1ccc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 97038338 IBWLGIHHILLZOI-NSHDSACASA-N 320.414 2.975 0 40 DFAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCc2ccccc21 97049167 KDZUCMDJUGHDJH-UAGQMJEPSA-N 302.418 2.866 0 40 DFAB C[C@H](Nc1ccn(CCc2ccncc2)n1)C1CCN(C)CC1 97037884 VYGPGIARVIHVMH-HNNXBMFYSA-N 313.449 2.663 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H]1CCC(=O)NC1 75582158 YWWOQSLBYPUTSZ-NSHDSACASA-N 323.824 2.865 0 40 DFAB Cc1ccc(CNC(=O)CCc2nnc(C(C)C)o2)cc1F 76094060 DOOHCWXNXKERIQ-UHFFFAOYSA-N 305.353 2.890 0 40 DFAB COC(=O)c1coc(C(=O)N[C@H](C)Cc2ccc(F)cc2)c1 97376274 UKZUQHNMSRGHPW-SNVBAGLBSA-N 305.305 2.566 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 76044377 JIAWTWWKUFPXGC-GFCCVEGCSA-N 320.418 2.864 0 40 DFAB Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1 84414757 ZMKHRKIAMQKFJS-UHFFFAOYSA-N 318.185 2.771 0 40 DFAB CC(C)(C)NC(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 95377646 RPGKNNNPTOYOLM-OAHLLOKOSA-N 317.385 2.883 0 40 DFAB O=C(NC[C@@H](C(=O)O)c1ccccc1)c1cccc2[nH]ccc12 95408281 ZSGNPBNMHRWUEZ-OAHLLOKOSA-N 308.337 2.766 0 40 DFAB COc1ccc(C(=O)OCC[C@@H]2CCCCN2C)cc1OC 78253953 WZGUCSNTEAGKRF-AWEZNQCLSA-N 307.390 2.735 0 40 DFAB C[C@@H]1COCCN1c1ccc(NC(=O)C2SCCS2)cc1 95449773 DZVIFWDLLBGOTA-LLVKDONJSA-N 324.471 2.656 0 40 DFAB Cc1cccc2c(N3CCC[C@@H](NC(=O)C(C)C)C3)ncnc12 95426186 DVSLRESHVONAGJ-CQSZACIVSA-N 312.417 2.679 0 40 DFAB Cc1ccc([C@@H](NC(=O)N(C)C[C@@H](O)C2CC2)C2CC2)cc1 95411075 LRTTZLMQBXVXDT-IAGOWNOFSA-N 302.418 2.858 0 40 DFAB CCc1cc(N2CCC(NCc3csc(C)n3)CC2)ncn1 78996623 RNICRYJZKDZXOP-UHFFFAOYSA-N 317.462 2.563 0 40 DFAB CCn1c(SC[C@@H]2CCOC2)nc2ccc(F)cc2c1=O 95975462 VATNMNCRUJVCLR-SNVBAGLBSA-N 308.378 2.684 0 40 DFAB Cc1cc2ncnc(NC[C@@H]3CN(C4CC4)CCO3)c2cc1C 95945042 ZFRSCLHIKYHLCP-OAHLLOKOSA-N 312.417 2.522 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)c1 95949677 KQGZSGQHICKLDM-AWEZNQCLSA-N 314.316 2.578 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccncc2F)c(F)cc1F 95994049 KKXOVSZMGLFQJM-UHFFFAOYSA-N 302.277 2.608 0 40 DFAB CC(=O)Nc1ccc(C(=O)OCc2cn3cc(C)ccc3n2)cc1 9913038 UMGRBXPOYRJEIK-UHFFFAOYSA-N 323.352 2.958 0 40 DFAB O=S(=O)(Nc1ncccn1)c1ccc(-c2ccccc2)cc1 74934785 WLNQFUIDZUVQTM-UHFFFAOYSA-N 311.366 2.944 0 40 DFAB Cc1ccc(CCNC(=O)c2ccc(-c3ccco3)[nH]c2=O)o1 75124956 OALDNAOCIDQGSW-UHFFFAOYSA-N 312.325 2.509 0 40 DFAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1ccc(N2CCCC2)nn1 75147683 HCADOTJKRALAIW-KBPBESRZSA-N 302.422 2.583 0 40 DFAB CNC(=O)[C@@H](C)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 79548368 YKNNFZDSZOBWSE-CYBMUJFWSA-N 320.458 2.651 0 40 DFAB CCS[C@@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C 66270567 LNNWTLVAIWKMEI-CYBMUJFWSA-N 315.460 2.806 0 40 DFAB O=C(O)C1CCN(c2ncnc3c2sc2ncccc23)CC1 67172899 SFFGOIUYBSQKDV-UHFFFAOYSA-N 314.370 2.541 0 40 DFAB Cc1cnc(CCNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)nc1 528913598 JOGYYRCCMGNGFK-HZPDHXFCSA-N 313.376 2.777 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 41128508 JDEWHFQHXNZESQ-SNVBAGLBSA-N 318.760 2.547 0 40 DFAB Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnn3c2CCCC3)c1 72159330 JYRAPEGMDCRFHZ-AWEZNQCLSA-N 312.417 2.626 0 40 DFAB O=C(CCc1ccccc1F)NC[C@]1(O)CCCc2occc21 1565523117 YSMMOEPMPJLDTG-GOSISDBHSA-N 317.360 2.692 0 40 DFAB O=C(CN1CC[C@H](c2ccncc2)C1)Nc1ccc2c(c1)CCC2 563366368 YGZRYBYIEUQXNE-SFHVURJKSA-N 321.424 2.998 0 40 DFAB CCOC[C@H]1CCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 521394517 KHFAYNSORIQTIL-LSDHHAIUSA-N 312.454 2.744 0 40 DFAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)C(C)C)CCCC2 225233913 MNPVWSNTKLKVAS-GFCCVEGCSA-N 311.447 2.897 0 40 DFAB Cc1cc(CNC(=O)Nc2ccccc2Cl)nc(N(C)C)n1 191427294 JUIRUNPRXCGQJT-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB O=C(COc1nn(-c2ccccc2)cc1Cl)N1CCCC1 227151919 SXUWMFASPSMAPL-UHFFFAOYSA-N 305.765 2.527 0 40 DFAB O=C(O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 195541830 XKWYGCMMKLSAKX-SYQHCUMBSA-N 307.777 2.813 0 40 DFAB COc1ncc(C)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 96445027 LHXKTMXKDCOXIQ-UHFFFAOYSA-N 322.368 2.766 0 40 DFAB COc1ncccc1C(=O)Nc1cccc(C[S@](C)=O)c1C 96408309 AMSZQCXCZRVUEB-JOCHJYFZSA-N 318.398 2.529 0 40 DFAB COC[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 96433668 RYVDSAHHUBNTKG-LBPRGKRZSA-N 319.188 2.873 0 40 DFAB COc1ccc(OCc2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1 95534864 WOYWVNJWNMVJIL-MRXNPFEDSA-N 324.384 2.635 0 40 DFAB CCn1nc(C)cc1C(=O)NC[C@@H](C)Oc1cccc(F)c1 96425908 OPRDUVWNDRWKFF-GFCCVEGCSA-N 305.353 2.548 0 40 DFAB c1ccc(-c2nc[nH]n2)c(OCc2cccc3c2OCCO3)c1 96484298 XFDQWGAJVIOLNQ-UHFFFAOYSA-N 309.325 2.822 0 40 DFAB CC(C)c1noc(CCCNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 96439677 MMLNWLOJZSTWIO-ZIAGYGMSSA-N 318.421 2.733 0 40 DFAB C[C@@H]1C[C@H](NC(=O)N(C)C2Cc3ccccc3C2)c2nccn21 334105160 XXZWAWRQMJTLBH-WBMJQRKESA-N 310.401 2.698 0 40 DFAB Cc1nn(C)cc1CCC(=O)Oc1cccc2c1CCCC2=O 96442759 NOGBNKBTQSLQTG-UHFFFAOYSA-N 312.369 2.786 0 40 DFAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(-c2cccc(O)c2)n1 95533956 BMSCTBATGLRPOP-CYBMUJFWSA-N 300.749 2.879 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CN2CC(c3cc[nH]n3)C2)o1 257297800 RIVSSGDUKHCXHT-UHFFFAOYSA-N 323.352 2.967 0 40 DFAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cccn2C)n1 257231204 GFTYUMINHLFBQQ-KRWDZBQOSA-N 313.449 2.522 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)cn1 257266960 MFILFMIQYMAKME-LBPRGKRZSA-N 302.403 2.570 0 40 DFAB C[C@H]1Cc2cc(Cl)cc(C(=O)NCc3cccnc3)c2O1 252495675 OVOIAXCIJLFSTD-JTQLQIEISA-N 302.761 2.988 0 40 DFAB CN(C(=O)c1ccnc(O)c1)C(C)(C)CN1CCCCCC1 390835081 CFTFIECGKAPFPD-UHFFFAOYSA-N 305.422 2.514 0 40 DFAB O=C(O)c1ccn(-c2cccc(NC(=O)[C@@H]3C[C@H]3C3CC3)c2)n1 97035921 XYHUBWSYRNZDOE-UONOGXRCSA-N 311.341 2.555 0 40 DFAB Cc1cccc(NC(=O)C(=O)NCc2ccc(F)cc2)c1C 5184220 PMTARGFRTNKUDJ-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc2C1 5677524 FHKAZKJJCLNVBW-AXFHLTTASA-N 320.414 2.873 0 40 DFAB COc1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1OC 13535280 OOFPFQBCGDQISZ-NSHDSACASA-N 321.402 2.804 0 40 DFAB NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 16850113 CZKSEERVLNMZDG-UHFFFAOYSA-N 301.293 2.933 0 40 DFAB COC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19592455 LBQHZFSXYSDJJK-AWEZNQCLSA-N 321.348 2.679 0 40 DFAB O=C(CC1CCCC1)NCC1CCN([C@@H]2CCSC2)CC1 225567112 PZLRTRGMIKYKBM-MRXNPFEDSA-N 310.507 2.900 0 40 DFAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 22515808 KSMUKDVSXJGAQD-LBPRGKRZSA-N 303.383 2.581 0 40 DFAB FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ncn1 1148897286 IHNBLRXVFRPXCU-UHFFFAOYSA-N 308.307 2.822 0 40 DFAB O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)CC(F)F)C1 263328848 PLBALQLYLKTHBY-QWHCGFSZSA-N 311.328 2.781 0 40 DFAB Cc1nc(CN2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)co1 2086934236 RMRRSCHHQFQJTP-GFCCVEGCSA-N 321.371 2.968 0 40 DFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1 10256313 OMCOFNUGHUWPKF-MRXNPFEDSA-N 309.369 2.786 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(OC)cc3)ccc21 10825082 NICNCPWCKQIINH-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB COCCN1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775971780 MOJJSRHNZSMTOX-GFCCVEGCSA-N 318.339 2.838 0 40 DFAB O=C(CCCc1ccccc1)N1CCN(CC(F)(F)F)CC1 38679233 DOIZIHIMMQLPMI-UHFFFAOYSA-N 314.351 2.716 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@](C)(O)Cc2ccsc2)c1 618257513 YTSACLOEJXTKQE-QGZVFWFLSA-N 318.442 2.538 0 40 DFAB CCOc1ccc(C(=O)N[C@@H](c2nccn2C)C(C)C)cc1 40139176 ILXOKXDGGSIOLH-OAHLLOKOSA-N 301.390 2.946 0 40 DFAB CCn1c(CNCc2nnc3n2CCCCC3)nc2ccccc21 40154940 RIRQVARXHBWKCJ-UHFFFAOYSA-N 324.432 2.664 0 40 DFAB c1coc([C@@H](CNc2ncnc3nc[nH]c23)N2CCCCC2)c1 40512381 QXOXLFWYBXKMPV-GFCCVEGCSA-N 312.377 2.585 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91758115 DUKAPNGBYQAKIR-NHYWBVRUSA-N 306.312 2.549 0 40 DFAB COc1ccc(C(=O)Oc2ccc3nsnc3c2)cc1OC 363374 CEZSSJYRRAMTKR-UHFFFAOYSA-N 316.338 2.928 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)cn1 69668630 RLFUPOOMMQVDQF-HOCLYGCPSA-N 313.426 2.801 0 40 DFAB CCOC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC 416291 VPHBWYXPFAHHJX-UHFFFAOYSA-N 305.403 2.929 0 40 DFAB CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 428491 NGUWQLLHXLOFQJ-LLVKDONJSA-N 303.362 2.593 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1F 1357974 XFYWTKXMRZBBIT-ZDUSSCGKSA-N 314.364 2.779 0 40 DFAB Cc1[nH]c(-c2ccccc2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c12 1859191 KOINPIFMCMFTIB-UHFFFAOYSA-N 317.348 2.983 0 40 DFAB Cc1ccc(-c2nnc(NNC(N)=S)c3ccccc23)cc1 3152519 VJSPEOCTGDCMAH-UHFFFAOYSA-N 309.398 2.765 0 40 DFAB COc1ccc(OC[C@@H](O)CN2CCCC2)c(C(C)(C)C)c1 6306048 UTEIJTKWZBHNHF-AWEZNQCLSA-N 307.434 2.828 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1OC 496543 GJMUTVAJKJYHQT-UHFFFAOYSA-N 301.298 2.685 0 40 DFAB O=C(COc1ccc2ccccc2c1)NC(=S)N1CCCC1 586939 DYXXDKZEXAQSIO-UHFFFAOYSA-N 314.410 2.716 0 40 DFAB O=C(NCCC1=CCCCC1)c1ccc(N2CCOCC2)nc1 22236353 SNEOKORJDKJSSG-UHFFFAOYSA-N 315.417 2.539 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)c1 101275885 AFVNZHXRRPHRLM-INIZCTEOSA-N 310.353 2.748 0 40 DFAB COc1ccc(CN(C)C(=O)[C@H](C)C2CCOCC2)c(OC)c1 89894367 YNXJTLYHQLKEFQ-CYBMUJFWSA-N 321.417 2.725 0 40 DFAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nnc1-c1cccs1 8185400 CQJSLYBBCXEBJW-SCZZXKLOSA-N 309.416 2.823 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)[nH]2)cc1 8117025 POFUOJYEURMTTF-UHFFFAOYSA-N 322.368 2.970 0 40 DFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCCCC2)c1 24152987 AKHBXXIRDCZFKR-UHFFFAOYSA-N 311.403 2.705 0 40 DFAB C[C@H](NC(=O)c1ccccc1Cn1cncn1)[C@@H]1C[C@H]2CC[C@H]1C2 105823422 RQECQHDIZNYKAO-XSWJXKHESA-N 324.428 2.881 0 40 DFAB O=C(NCc1ccccn1)c1ccc(OCc2cccnc2)cc1 24559006 SXVMHXSRLDCUGZ-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB COC1=C[C@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)C3=CC1 100393719 UDBMORSDGOBDDA-KXBFYZLASA-N 313.397 2.759 0 40 DFAB biogenic,in-vitro O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccsc2)CC1 26320478 INCRINBYYXVFRV-UHFFFAOYSA-N 317.414 2.572 0 40 DFAB COc1ccc(C)cc1C(=O)Cn1cnc2sccc2c1=O 58181931 KIZJLBLNIPYPAJ-UHFFFAOYSA-N 314.366 2.658 0 40 DFAB COc1ccc(C)cc1-c1csc(CN2C(=O)CCC2=O)n1 58247122 FOOYGBZRFNRKAW-UHFFFAOYSA-N 316.382 2.776 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccnc1N1CCCC1 44972713 HYQAKFBYRFDQDG-AWEZNQCLSA-N 318.421 2.572 0 40 DFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cn2ccccc2n1 12627715 DBCVMWLJIMMCFE-UHFFFAOYSA-N 320.352 2.713 0 40 DFAB O[C@@H](CN1CCC[C@@H]1c1ccccc1Cl)Cn1cccn1 48234754 FWVKVTGBMPRNOD-XJKSGUPXSA-N 305.809 2.735 0 40 DFAB Cc1ccccc1C1(CNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 69739634 GRYUCEKQRILASL-INIZCTEOSA-N 314.429 2.592 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2csc(C3CC3)n2)c1 70015430 QLGMOMSJPAIMLZ-ZDUSSCGKSA-N 316.430 2.830 0 40 DFAB C/C(=C\C(=O)N1CCC2(CC1)OCCO2)CCc1ccccc1 69326577 MHURVOHROFSVPE-FOCLMDBBSA-N 315.413 2.931 0 40 DFAB O=C(NCC1CCC1)Nc1cccc(S(=O)(=O)C(F)F)c1 67317130 JTFPJCOWGNJYMX-UHFFFAOYSA-N 318.345 2.605 0 40 DFAB O=C(CNc1cccc(-c2ccc3c(c2)CCO3)c1)NC1CC1 92944328 UZUMQHNWMFXTKL-UHFFFAOYSA-N 308.381 2.979 0 40 DFAB Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)C1CCC1 69419734 YDURZMLHHRKPKW-CQSZACIVSA-N 304.415 2.635 0 40 DFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1ccccc1=O 69414646 CZMCIFVXCJVMEY-UHFFFAOYSA-N 314.429 2.523 0 40 DFAB CSCC[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)O 5217010 PNSJVRREUUEKQI-KBPBESRZSA-N 322.430 2.570 0 40 DFAB Cn1nccc1C(=O)NC(C)(C)c1ccc(Br)cc1 65412433 HYBNUTYKBYMQPP-UHFFFAOYSA-N 322.206 2.848 0 40 DFAB c1ccc(CCCN2CCC[C@@H](CN3CCOCC3)C2)cc1 69803645 WLJHPUFYRSFYJT-LJQANCHMSA-N 302.462 2.663 0 40 DFAB COc1cc2cc(C(=O)NCc3ccccn3)[nH]c2cc1OC 5423567 MLFIXJUDSPUFHQ-UHFFFAOYSA-N 311.341 2.510 0 40 DFAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCn1ccnc1 69811949 LYDPJXYMBTXNFY-HNNXBMFYSA-N 312.417 2.893 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2cccc(C)c2)c1 67010526 GZVCJZPQGHESKA-CQSZACIVSA-N 318.442 2.754 0 40 DFAB CC[C@@H](Oc1ccc(C(C)=O)cc1)C(=O)Nc1cc(C)on1 8769113 MGGGKSNKUIEJLP-CQSZACIVSA-N 302.330 2.982 0 40 DFAB COc1cccc(NC(=O)C[C@H](NC(C)=O)c2cccs2)c1 8734628 SCFRHQCQQFXKKF-AWEZNQCLSA-N 318.398 2.963 0 40 DFAB CCc1ccsc1C(=O)NCCCCn1ccccc1=O 67623885 MLICLWAGPNRGCL-UHFFFAOYSA-N 304.415 2.682 0 40 DFAB CC(=O)N[C@@H](C(=O)NCCSc1ccc(C)c(C)c1)C(C)C 26680474 UTNSWQRYEPCGJA-MRXNPFEDSA-N 322.474 2.672 0 40 DFAB Cc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)c(O)c1 9209161 YMHWRFLXVPQNSV-UHFFFAOYSA-N 309.325 2.583 0 40 DFAB CC(=O)N1CC[C@H](NCc2cccc3c2OC(C)(C)C3)[C@H](C)C1 89937583 OGCUXJAMSSMLKO-DYVFJYSZSA-N 316.445 2.747 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2C(C)C)c2c(C)nn(C)c2n1 71829975 FNMQAWBLWDAROO-AWEZNQCLSA-N 300.406 2.846 0 40 DFAB O=S(=O)(CC1CCCCC1)Nc1cnn(-c2ccccn2)c1 71920446 KILUVEADNVSYAZ-UHFFFAOYSA-N 320.418 2.589 0 40 DFAB O=C(CCOc1cccc(F)c1)N1CCC[C@H](c2ccn[nH]2)C1 72283072 NLSJSGIXRUJNLW-ZDUSSCGKSA-N 317.364 2.724 0 40 DFAB Cc1nccc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 97009710 DVWNVUROPBSHJR-CYBMUJFWSA-N 306.410 2.621 0 40 DFAB CCc1nc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)no1 97033189 OVWGWWXLPLPRKL-GFCCVEGCSA-N 314.389 2.610 0 40 DFAB C[C@@H](C(=O)O)[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 97018296 UMCKBUBBVDEMFN-PXAZEXFGSA-N 315.344 2.946 0 40 DFAB COc1ncccc1NC(=O)NC[C@@H](C)c1ncc(C)s1 97113148 NHIITQDWJPYJOH-SECBINFHSA-N 306.391 2.780 0 40 DFAB O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@H]1c1noc(C2CC2)n1 84334765 UDIBVLNGLKSTIC-CYBMUJFWSA-N 313.361 2.525 0 40 DFAB CCN1CCCC[C@H]1CNc1cc(-c2nc(C)no2)ccn1 84789202 YKLNHCOGVIKHCT-AWEZNQCLSA-N 301.394 2.726 0 40 DFAB CN(CC(=O)N1CCc2sccc2C1)OCc1ccccc1 95435063 XRZAYCOSBNIPFX-UHFFFAOYSA-N 316.426 2.696 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@](C)(O)c1ccccc1 95441972 ILAHGYAJRQTHCY-XIKOKIGWSA-N 315.417 2.544 0 40 DFAB CCO[C@H](C)c1nc(Cn2cccc3oc(=O)nc2-3)cs1 95469467 DVBQJMPTDZZVNJ-SECBINFHSA-N 305.359 2.543 0 40 DFAB C[C@]1(c2nc(C(=O)NCc3ccc(F)cc3)no2)CCCS1 95418399 AWZMRDRRBSPJNZ-OAHLLOKOSA-N 321.377 2.881 0 40 DFAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@](O)(C(F)(F)F)C1 98013041 GHWCBQUJZXQVEO-OAHLLOKOSA-N 313.319 2.705 0 40 DFAB CCc1ccc(CCN[C@H](CN2CCOCC2)C(C)C)cc1 95941483 AJKQZSOXLVXRJL-LJQANCHMSA-N 304.478 2.738 0 40 DFAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 95989501 FRZVQQICLLEHIQ-GGZOMVNGSA-N 315.291 2.646 0 40 DFAB CN(C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C1CC1 95948595 UFYVGBDCFQDKFG-UHFFFAOYSA-N 301.386 2.890 0 40 DFAB COC[C@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)C1CC1 95991074 NHVLRDRJFQRIMV-ZDUSSCGKSA-N 316.323 2.670 0 40 DFAB CN(C)c1ccc(CCCNC(=O)/C=C/C2CCOCC2)cc1 89326536 RZQWFBJEMNTATC-JXMROGBWSA-N 316.445 2.784 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1c1cc(-n2ccnc2)ncn1 75109650 AZADGNMAWMHHAF-AWEZNQCLSA-N 320.400 2.507 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c(=O)[nH]1 75118360 CDNACLNMOJVTKT-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB O=C(CCCn1ccnc1)Nc1cc(-c2cccs2)[nH]n1 75141973 ZGRAHXLHELYDRX-UHFFFAOYSA-N 301.375 2.754 0 40 DFAB CC(C)(C)OC(=O)N1CCCN(c2nnc(C3CC3)s2)CC1 89662245 OFRXKQCNWNQAIC-UHFFFAOYSA-N 324.450 2.863 0 40 DFAB Cc1ccc2cccc(S(=O)(=O)N(C)CCC3CC3)c2n1 532619759 DRZZLIZTOFSIML-UHFFFAOYSA-N 304.415 2.964 0 40 DFAB Cc1ccc(OCC(=O)N[C@H]2CCCc3nc(C)ncc32)cc1 72242524 NHCILXSUSKXXIK-KRWDZBQOSA-N 311.385 2.666 0 40 DFAB O=C(NC[C@@]1(O)CCCc2occc21)c1cc2ccccc2o1 1565523271 JKCWJKBDHTZCMX-SFHVURJKSA-N 311.337 2.980 0 40 DFAB CN(C)c1ccc(C2CCN(C(=O)c3ccncc3)CC2)nc1 72368251 OVFLHXWYHIYYNT-UHFFFAOYSA-N 310.401 2.562 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350149 OGDIXAHVHSKMKS-DACLVMHWSA-N 308.466 2.558 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccccc1F 33317489 WTFBPHVSFGLYAL-UHFFFAOYSA-N 312.304 2.842 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)CCSc1ccccc1)C2 70971884 QJSSWEFPPGHIIY-UHFFFAOYSA-N 321.442 2.780 0 40 DFAB C[C@@H](c1cnccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 72203802 PKYBOILXNQBIFL-UONOGXRCSA-N 320.437 2.774 0 40 DFAB CO[C@@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1N 226817758 AYBILSLODJMOOW-HZPDHXFCSA-N 306.793 2.566 0 40 DFAB Cc1cc(CNC(=O)Nc2ccc(Cl)cc2)nc(N(C)C)n1 191429819 NZJKVWJHGXCUAB-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB CC[C@H](C(=O)N1CCC[C@@H]1C(C)(C)O)c1ccc(OC)cc1 192548084 KKEAZODEYSYSII-JKSUJKDBSA-N 305.418 2.951 0 40 DFAB CCSc1nc(N)cc(Nc2ccc(OC)cc2OC)n1 49467555 PHDSMABBOPKTMZ-UHFFFAOYSA-N 306.391 2.932 0 40 DFAB Cc1cccc(CS(=O)(=O)NCCOCc2ccccc2)c1 80799702 QPTBJAFTZSFDJJ-UHFFFAOYSA-N 319.426 2.631 0 40 DFAB CCOC(=O)c1cc(-c2ccc(C)c(C)c2)nn(CC)c1=O 225965673 ZJLLWIFBQJPEFB-UHFFFAOYSA-N 300.358 2.724 0 40 DFAB C[C@@H](CNC(=O)[C@@H]1CCCc2cccnc21)c1nccs1 194863515 AAZBEKNMFVDLBJ-WCQYABFASA-N 301.415 2.878 0 40 DFAB O=C(c1cccc2ccccc12)N1CC(Nc2ncccn2)C1 238872657 NHBUGFYYPXTMMO-UHFFFAOYSA-N 304.353 2.566 0 40 DFAB Cc1ccnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 265565961 UHSZXXXAEADWGJ-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB CCC(CC)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 193139623 XGNNVVWTDFBSGV-IAGOWNOFSA-N 305.418 2.774 0 40 DFAB c1ccc(O[C@H]2COC3(CCN(C[C@H]4CCOC4)CC3)C2)cc1 96221863 RFIIPZBLGDBXJE-SJLPKXTDSA-N 317.429 2.725 0 40 DFAB CCOC(=O)N1CCC(N[C@H]2CCO[C@@H]2c2ccccc2)CC1 96494309 ULLAQURMYMVEQO-DLBZAZTESA-N 318.417 2.727 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N[C@@H](CCO)C1CC1)C1CC1 95401094 HSVWFAYCGOHOHK-IRXDYDNUSA-N 302.418 2.906 0 40 DFAB COc1ccc(CNC(=O)N[C@@H](C)C2CC2)c(OC(F)F)c1 96434274 VUMJOFHURZCHTK-VIFPVBQESA-N 314.332 2.894 0 40 DFAB Cc1sc(=O)n(Cc2nc([C@@H](C)OCC(C)C)no2)c1C 96435871 RPNCXUZLAZFFLX-SNVBAGLBSA-N 311.407 2.692 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 257337471 YSWYHDLPYBRHTA-LBPRGKRZSA-N 304.419 2.811 0 40 DFAB C[C@]1(O)CCN(Cc2cncs2)C[C@@H]1Oc1cccc(F)c1 257292572 QMDLFLSPXAMFKF-HOTGVXAUSA-N 322.405 2.687 0 40 DFAB c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CC2)n1 253592611 XGSFCOYDGXLJAJ-LZWOXQAQSA-N 308.447 2.549 0 40 DFAB CC(C)CSCCCNC(=O)N[C@H]1CCCc2nn(C)cc21 252488864 JAVKDCVRNMYTJB-AWEZNQCLSA-N 324.494 2.876 0 40 DFAB CC(=O)N1CCC[C@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 257279357 OGFUCGXVUVVROI-ZDUSSCGKSA-N 317.389 2.543 0 40 DFAB CN(C(=O)c1ccnc(Cc2ccccc2)c1)C1CCOCC1 257315987 VDQJLUHEDCZDHY-UHFFFAOYSA-N 310.397 2.923 0 40 DFAB CN1CCc2cc([C@H](O)CNC(=O)Nc3cccs3)ccc21 96363042 CKXXACRJKLPNGG-CQSZACIVSA-N 317.414 2.596 0 40 DFAB COC(=O)N1CCCN(Cc2ccc(SC)c(OC)c2)CC1 68819242 QGQOJMWQSZPXFS-UHFFFAOYSA-N 324.446 2.691 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)c1 71185979 RNFSUGXHLPZXLT-CYBMUJFWSA-N 304.419 2.742 0 40 DFAB CCN(C(=O)[C@H](C)[S@@](=O)Cc1cc(C)no1)c1ccccc1 71859071 ZWFGCTVINSBWPT-WHEQGISXSA-N 320.414 2.673 0 40 DFAB CCn1cc(Br)c(C(=O)N2CCC[C@H](C)C2)n1 2780500 BNSHWVFIGYIRJX-VIFPVBQESA-N 300.200 2.538 0 40 DFAB Cc1csc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 5937499 YCCOLOYBXJCXNA-UHFFFAOYSA-N 320.395 2.757 0 40 DFAB CC(=O)Nc1c(OC(C)=O)c2ccccc2c2oc(=O)sc12 16321128 ZFTAUFWSUMFABJ-UHFFFAOYSA-N 317.322 2.891 0 40 DFAB S=C(c1c(Cl)cccc1Cl)N1CN2CCCN(C2)C1 19319814 MHXKHIKAGJMKRN-UHFFFAOYSA-N 316.257 2.865 0 40 DFAB CC[C@H](NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1 19500520 ZBWPJJWTCWSYEM-INIZCTEOSA-N 324.384 2.927 0 40 DFAB Cc1cccc(C2CC(NC[C@@H](c3cnn(C)c3)N(C)C)C2)c1 154207406 VZSCQQJPLYKAPE-KVZIAJEVSA-N 312.461 2.867 0 40 DFAB CC[C@@](NC(=O)c1cscn1)(C(=O)O)c1ccc(Cl)cc1 507314444 AGTXMNGHNSKSDY-AWEZNQCLSA-N 324.789 2.916 0 40 DFAB CCOc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1 5250962 NXNDEGLVVKNFMC-UHFFFAOYSA-N 304.390 2.863 0 40 DFAB COc1ccc(C(N)=O)c(OCc2cc(C)ccc2OC)c1 26398023 RFIQFRSSONVVDQ-UHFFFAOYSA-N 301.342 2.690 0 40 DFAB Cc1cnc(C)c(OC2CCN(c3ncccc3F)CC2)n1 2087122380 RQMZBHONTNWNFP-UHFFFAOYSA-N 302.353 2.675 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1 1440385 HDKVEDPEIPKEKK-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)COc3cccc(C)c3)ccc21 17288849 FFOOGFHEPUOOEK-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CN(C)[C@H](CNC(=O)NCc1cccs1)c1ccsc1 22679002 IAKXQSXIROMSCB-CYBMUJFWSA-N 309.460 2.912 0 40 DFAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)CN3CCCC3=O)cc2C1 40156875 RUUWESAKNGMUKG-VXGBXAGGSA-N 320.458 2.614 0 40 DFAB COc1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2)c1 20399271 CUAGGNVAPWDJTG-UHFFFAOYSA-N 316.332 2.593 0 40 DFAB c1ccc(Cc2noc(CSc3nnc4ccccn34)n2)cc1 31649014 IVGPBWRQFZSNBF-UHFFFAOYSA-N 323.381 2.995 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@H](C)C1 40514044 YUEPYNSZZDDKLY-GFCCVEGCSA-N 316.426 2.903 0 40 DFAB COCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 148502 ZZLYBLRTTVPIGB-UHFFFAOYSA-N 321.402 2.825 0 40 DFAB Cc1nc(N2CCOCC2)c2c3c(sc2n1)C[C@H](C)CC3 2452375 ZIALWVSXJDIAFY-SNVBAGLBSA-N 303.431 2.961 0 40 DFAB COc1ccccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C 429495 CGSPPENTBKIIEE-UHFFFAOYSA-N 300.358 2.773 0 40 DFAB Cc1cc(C)cc(NC(=O)CCn2c(=O)n(C)c3ccccc32)c1 11424661 TZJPSYUZIUEUAR-UHFFFAOYSA-N 323.396 2.986 0 40 DFAB CCCNC(=S)/C=C1\NCCc2cc(OC)c(OC)cc21 101376649 FCVPSIZTSCMLDI-RAXLEYEMSA-N 306.431 2.517 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)s1 6367161 ZAWUIYHJSBJAOW-UHFFFAOYSA-N 304.371 2.580 0 40 DFAB CCCN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 6657103 LTQABAJGBXYGTI-FMIVXFBMSA-N 305.355 2.920 0 40 DFAB O=S(=O)(NNc1cccc(Cl)n1)c1ccc(Cl)cc1 480184 DCGBEMVWSUIKNP-UHFFFAOYSA-N 318.185 2.694 0 40 DFAB Cc1nc(SCC(=O)NCc2ccc(F)cc2)nc(C)c1C 2621202 RSAISTQOXAACLB-UHFFFAOYSA-N 319.405 2.949 0 40 DFAB O[C@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCc2ccccc2C1 101244453 LBKQAOZQTPAMGS-BEKAIBRUSA-N 315.457 2.858 0 40 DFAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(C(=O)O)cc1)C2 8367555 PPWGKGBSOHLDIL-UHFFFAOYSA-N 324.380 2.956 0 40 DFAB COc1ccc([C@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 32912685 ILBWMYAMJUAQIH-OAHLLOKOSA-N 304.321 2.689 0 40 DFAB Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 21774684 SJSFBPLOCTZROE-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB C[C@@H](CNC(=O)c1cc(C2CC2)on1)N1CCc2ccccc21 33057408 WOSTWVRRLDOFCW-LBPRGKRZSA-N 311.385 2.733 0 40 DFAB Cc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1 9194289 LNRMVXWABDWMTA-UHFFFAOYSA-N 319.320 2.841 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 9064261 QJQOBILCYSOKDK-UHFFFAOYSA-N 320.345 2.667 0 40 DFAB Cc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)s1 47288594 PTHROFXBBGKHSR-UHFFFAOYSA-N 316.430 2.614 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H]1C[C@H]1c1ccccc1 89827975 QCEATJSNYZPMFP-ZVZYQTTQSA-N 313.445 2.574 0 40 DFAB Cc1ccc(C(=O)n2c(S)nc3ccccc3c2=O)cc1C 103650416 YHSFEPWAWYCTNQ-UHFFFAOYSA-N 310.378 2.991 0 40 DFAB O=S(=O)(Nc1n[nH]c2ccccc12)c1cc(F)ccc1F 54433200 PDGUUVNPVKHCKS-UHFFFAOYSA-N 309.297 2.642 0 40 DFAB CCCCCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 24755840 ZSQLFLGJMWVTQQ-UHFFFAOYSA-N 306.391 2.756 0 40 DFAB C[C@@H](c1ccccc1Cl)N1CCC(N2CCNC2=O)CC1 52216392 GWUDOJXQBJOJKJ-LBPRGKRZSA-N 307.825 2.891 0 40 DFAB Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100396499 JKLZATZVWZRYQB-CQSZACIVSA-N 316.357 2.832 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 107360876 XAEAYBRVWZDALE-YFHUEUNASA-N 314.429 2.811 0 40 DFAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@H](O)C1 26241911 VEASNGXAFGYDPA-ZDUSSCGKSA-N 319.332 2.595 0 40 DFAB O=C(CCC1CCCC1)NCc1ccnc(N2CCOCC2)c1 25290235 ZLPFPDWIGTVRIB-UHFFFAOYSA-N 317.433 2.505 0 40 DFAB 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305.161 2.606 0 40 DFAB O=C(O)c1ccccc1SCc1nnnn1-c1ccccc1 4218243 ZKMNYYRQCYUFRP-UHFFFAOYSA-N 312.354 2.653 0 40 DFAB CN1CCCc2cc(NC(=O)Cc3cn4ccccc4n3)ccc21 64845383 WFXQZMACGMROPS-UHFFFAOYSA-N 320.396 2.898 0 40 DFAB CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1)CCC2 67245876 ZXRFAXFWQPIQQT-UHFFFAOYSA-N 312.369 2.754 0 40 DFAB Cc1ccnc(NC(=S)NCc2ccc3c(c2)OCO3)c1 5225325 WKFXQMKEDYARHY-UHFFFAOYSA-N 301.371 2.605 0 40 DFAB CC(C)Oc1ccc(CNC(=O)c2cc(C3CC3)on2)cn1 65457131 XVIXWVSQIQKDFC-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB CC(=O)c1ccc(N2C(=O)C/C(=C/c3cccnc3)C2=O)cc1 5451779 KWZVESWNRBHXFO-DHDCSXOGSA-N 306.321 2.631 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Sc1cc(C)c2cccc(C)c2n1 5582465 ASRCPPSTHPNISZ-NSHDSACASA-N 317.414 2.788 0 40 DFAB COCCCNC(=O)c1sc(-c2ccc(OC)cc2)nc1C 6760818 LKUNIVNNFVOCCK-UHFFFAOYSA-N 320.414 2.893 0 40 DFAB Fc1ccc(CN2CCCN(CCc3ccccn3)CC2)cc1 66349674 INOLZYAGOOCSAU-UHFFFAOYSA-N 313.420 2.971 0 40 DFAB CN(Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 8704342 UNOYEQMKRKTLCN-UHFFFAOYSA-N 316.332 2.896 0 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319.430 2.916 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257251999 JTEHYBNOVMYJLF-GFCCVEGCSA-N 300.362 2.562 0 40 DFAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C2CCC2)C3)n1 253601050 HYLQPWFBGPJPLG-OAHLLOKOSA-N 317.433 2.587 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257343710 ZUCQWOBVHONOEG-ZDUSSCGKSA-N 303.431 2.739 0 40 DFAB CN1CCC[C@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257304591 SMIPZRCIMIIGSG-CYBMUJFWSA-N 311.385 2.726 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCC2(CC1)OCCS2 96120461 FZVNJINAQGQDFH-UHFFFAOYSA-N 314.410 2.931 0 40 DFAB CN1C[C@H](COCC2CC2)C2(CCN(C3CCCC3)CC2)C1 585104326 YZJMZXXSJLUBGR-QGZVFWFLSA-N 306.494 2.999 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccccn2)n1 55519856 ZDTHVVWEMJSBHX-AWEZNQCLSA-N 314.389 2.884 0 40 DFAB O=C([C@H](Nc1cccc(CO)c1)c1ccccc1)N1CCCC1 57756118 OJHAQZHSYYDGKD-GOSISDBHSA-N 310.397 2.955 0 40 DFAB O=C(CCCc1cccs1)N1CCC[C@@H](n2cncn2)C1 72272249 ACTUDECOZQSUAU-CYBMUJFWSA-N 304.419 2.526 0 40 DFAB O[C@](CNc1ncnc2cnccc12)(c1cccs1)C1CC1 1775972834 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CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 6201858 CRLJDCKSJJFIHF-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc(F)cc1 17156218 CNCYZUOXZOINMH-UHFFFAOYSA-N 319.361 2.812 0 40 DFAB O=C(C1CC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 2055785435 WZIFLDOWUKAMQQ-UHFFFAOYSA-N 313.445 2.696 0 40 DFAB COc1ccc(-n2c(=S)[nH]c3c(c2=O)S[C@@H](C)C3)cc1 26420981 MYRUHVLWSZAJDC-QMMMGPOBSA-N 306.412 2.940 0 40 DFAB O=C(NCc1nccnc1-c1ccsc1)c1cncc(F)c1 575621162 YMDMVYSBJNFFOB-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB COc1ncccc1C(=O)NCc1cncc(-c2ccoc2)c1 575620889 RMTDANFZLICFEY-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB Cc1cccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183879 NZGPSNLFIWQSDX-CQSZACIVSA-N 323.387 2.864 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=S)N1CC(=O)Nc2ccccc21 7560642 VVFIFRKDEOIRKI-RYUDHWBXSA-N 303.431 2.898 0 40 DFAB CCOC1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 50096319 MXJRYZPPHCBVFE-UHFFFAOYSA-N 302.418 2.929 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 29866 UIHCGWRKRQXZEN-UHFFFAOYSA-N 304.371 2.587 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(=O)O)C1 20200193 VVBLSSGZJQWPFE-ZDUSSCGKSA-N 314.341 2.587 0 40 DFAB CN(C)CCCN1C(=O)[C@@H]2CC3=C(C[C@H]2C1=O)C(C)(C)CCC3 100700288 DTTYFBUJAORCHB-HUUCEWRRSA-N 318.461 2.840 0 40 DFAB O=C(Nc1cccc(N2CCNC2=O)c1)N1CCCCCC1 40540475 LDWWBQWEWKERLD-UHFFFAOYSA-N 302.378 2.624 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 40510150 BIBZYXIDIBKZEU-WCBMZHEXSA-N 300.811 2.590 0 40 DFAB CCC1=NN(C(=O)c2ccccc2O)[C@@](O)(c2ccccc2)C1 342785 ICLVDQPERCVAHV-SFHVURJKSA-N 310.353 2.849 0 40 DFAB COC(=O)[C@@H](O)[C@H](Sc1ccccc1N)c1ccccc1 4960959 UYTWXFRKOWROEX-LSDHHAIUSA-N 303.383 2.636 0 40 DFAB O=C(c1ccc2c(=O)n(-c3ccccc3)cnc2c1)N1CCCC1 32069803 BLVQLPOUGOVZOI-UHFFFAOYSA-N 319.364 2.622 0 40 DFAB CC(C)CNCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 1671427 XHOGTFIXWWIHPB-UHFFFAOYSA-N 306.406 2.684 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(Br)o1 2782258 ZIPOEDCKWMXYFQ-SSDOTTSWSA-N 312.167 2.575 0 40 DFAB COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 101362509 VHXZSYWVJJPRGM-NXNVCVFFSA-N 309.365 2.953 0 40 DFAB COc1cccc(-c2nc(C(=O)NC3CC3)cs2)c1OC 29564183 DXFXESHKBNWSJS-UHFFFAOYSA-N 304.371 2.720 0 40 DFAB CCN1CCc2nc(NC(=O)COc3ccccc3)sc2C1 20830213 AFHSBXSMUVPTKX-UHFFFAOYSA-N 317.414 2.539 0 40 DFAB Cc1n[nH]c(SCc2ccc(C(F)(F)F)cc2)nc1=O 4249007 TZBMDIQYOTUZQJ-UHFFFAOYSA-N 301.293 2.784 0 40 DFAB CCCn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 6679431 JWLDJVHXIKBGQB-UHFFFAOYSA-N 314.410 2.877 0 40 DFAB COc1cc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC 102326665 YUKQGJIXRDICKN-GVXVVHGQSA-N 303.358 2.863 0 40 DFAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(CC)n[nH]1 21588250 ASFKMJUYCOWDFI-SNVBAGLBSA-N 320.418 2.885 0 40 DFAB Cc1ccc(CN2C[C@H]3[C@@H](CC(=O)NCc4ccco4)[C@H]3C2)o1 107745956 QDBRUNXQQHZYAN-BJWYYQGGSA-N 314.385 2.565 0 40 DFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCCC1 8076424 SWXIKBKCTNWZKC-UHFFFAOYSA-N 303.337 2.867 0 40 DFAB S=C(Nc1ccc2c(c1)CCC2)N1CCC2(CC1)OCCO2 53519323 XNQFUEWUCLKTJW-UHFFFAOYSA-N 318.442 2.711 0 40 DFAB Cc1nc(Cc2noc(C3(c4ccc(F)cc4)CCC3)n2)no1 89718458 TXAZTWIVFSCXAL-UHFFFAOYSA-N 314.320 2.961 0 40 DFAB CS(=O)(=O)/N=C(\O)COc1ccccc1-c1ccccc1 42280532 LFFXNNQGNRLAAJ-UHFFFAOYSA-N 305.355 2.649 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)C1(c2cccc(Cl)c2)CC1 42369085 IXAGJHLTALERQQ-GFCCVEGCSA-N 303.793 2.773 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1cccnc1-n1cccn1 23170829 DWYTWNAYTXXJEH-ZDUSSCGKSA-N 308.341 2.673 0 40 DFAB CC(C)(CN1CCCCCC1)NS(=O)(=O)c1ccccc1 3178788 RMALDZJHEXCTOB-UHFFFAOYSA-N 310.463 2.620 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1cc[n+]([O-])cc1)c1nc2ccccc2[nH]1 55441802 XXRCNBFIEUBUKH-WBMJQRKESA-N 324.384 2.714 0 40 DFAB Cc1csc2ncc(C(=O)Nc3c(F)cccc3F)c(=O)n12 20767550 PTXAOGFQWCVNBN-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)c1 106843636 CQGFGTAKQMXEPB-OCCSQVGLSA-N 301.394 2.678 0 40 DFAB CC1CCN(C(=O)COC(=O)Cc2ccc(Cl)cc2)CC1 3238480 CODNRXNKRUGRSE-UHFFFAOYSA-N 309.793 2.684 0 40 DFAB CCCCN(C)CC(=O)Nc1cc(C)c(C(=O)OCC)s1 10052013 KWBTWACAFVDONP-UHFFFAOYSA-N 312.435 2.904 0 40 DFAB Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 58357745 GNXNJKJSFIYESX-WHEQGISXSA-N 320.414 2.876 0 40 DFAB CN(C)C[C@@H](NC(=O)COc1cccc(F)c1)c1ccccc1 28084579 ZPHXHWPKRSDNNO-QGZVFWFLSA-N 316.376 2.624 0 40 DFAB COC(=O)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12864119 FZJASDUXITUOHV-UHFFFAOYSA-N 300.358 2.727 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N4CCCN(C)CC4)c23)C1 3444624 OVLOWQXCBBUNJD-LBPRGKRZSA-N 316.474 2.958 0 40 DFAB COC(=O)N1CCC(NC(=O)c2sccc2C2CC2)CC1 67234077 DJCLFOBIJRYPSX-UHFFFAOYSA-N 308.403 2.586 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(O)cc1 3507932 JBHBWDCPQGULNG-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1cccs1 3512158 FOXDWHHCKFSIHM-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB CC(C)C(=O)Nc1cc2c(cc1Br)OCCO2 15565641 DWLCBXQIFFISGD-UHFFFAOYSA-N 300.152 2.815 0 40 DFAB Cc1nnc([C@@H](C)N2CCN(C(=O)CC3CCCCC3)CC2)o1 69445093 IKKFIFPRMMHDKX-CYBMUJFWSA-N 320.437 2.554 0 40 DFAB O=C(NCc1cccnc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 13734026 ONACZWSAGNVJPG-UHFFFAOYSA-N 320.274 2.907 0 40 DFAB O=C(OCc1cccnc1)c1cc(Cl)c2c(c1)OCCO2 39976067 GTMLCJVAYGIJHD-UHFFFAOYSA-N 305.717 2.863 0 40 DFAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CN1CCSC1=O 65575129 HOJBTEXJHAKNFX-AWEZNQCLSA-N 321.446 2.638 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3sccc23)n1 69512589 BXPGCNVPAADJKV-GFCCVEGCSA-N 314.418 2.569 0 40 DFAB Cc1cnn(C[C@H](C)NCc2nc(-c3ccco3)oc2C)c1 69875219 BROOWQQVMSOAGO-LBPRGKRZSA-N 300.362 2.926 0 40 DFAB O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCOCC1 69970030 HZCHSCSSDAZPGJ-UHFFFAOYSA-N 307.369 2.680 0 40 DFAB O=C(CCNC(=O)Nc1ccccc1)NCc1ccccc1F 8727285 ZTOTXDKAVNIUHP-UHFFFAOYSA-N 315.348 2.654 0 40 DFAB Cc1csc([C@H]2CN(Cc3cnn(C(C)(C)C)c3)CCO2)n1 92790373 MGYZPOKMPMRLGJ-CQSZACIVSA-N 320.462 2.977 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1 71285063 GMQSSXFQAHZXSQ-STQMWFEESA-N 318.373 2.576 0 40 DFAB Cc1nc([C@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1 72279204 BBZPHEBYBDCLEQ-VIFPVBQESA-N 313.283 2.571 0 40 DFAB c1ccc(-c2nc([C@H]3COCCN3Cc3cccnc3)no2)cc1 96000012 NZFZVZVRLVFFLQ-MRXNPFEDSA-N 322.368 2.705 0 40 DFAB COC(=O)c1ccccc1CN1C[C@@H](N(C)C)Cc2ccccc21 96003687 IIAFJRMGNJTPQN-KRWDZBQOSA-N 324.424 2.966 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2OC)cc1 19736194 UYRRWEGGCBRNKV-NSHDSACASA-N 316.357 2.692 0 40 DFAB CC[C@@H](OC(=O)c1cccc(OC)c1)C(=O)Nc1cc(C)on1 9449786 PFNOFNZGUMMRBH-CYBMUJFWSA-N 318.329 2.566 0 40 DFAB COc1cc(CNC(=O)C[C@@H]2CCOc3ccccc32)ccn1 96409818 HIKNBCKVJSDXRW-AWEZNQCLSA-N 312.369 2.663 0 40 DFAB Cc1nc(N(C)C2CCS(=O)CC2)c2c(C)csc2n1 97096838 AACHUMVRQZBGIT-UHFFFAOYSA-N 309.460 2.655 0 40 DFAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC=CCC1 71894228 PNYVLQXMWHAUME-HNNXBMFYSA-N 317.385 2.747 0 40 DFAB CO[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 71882861 SCHKXNWKZMDYHE-WMZOPIPTSA-N 310.397 2.769 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccc(F)cc1 71859200 VBODFTWUPRIJFN-WHEQGISXSA-N 319.401 2.779 0 40 DFAB O=C(N[C@H](c1nnn([C@H]2C=CCCC2)n1)C1CC1)c1ccccc1 71911001 IKUXWTOVLJAWRG-HOTGVXAUSA-N 323.400 2.835 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CN1 84392702 YBCNZULVXADIIX-PBHICJAKSA-N 318.392 2.699 0 40 DFAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72403628 YXPZWUCIAPLGKS-LBPRGKRZSA-N 311.345 2.690 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1 95396493 XUSRLDQELVZGJF-DOTOQJQBSA-N 308.466 2.811 0 40 DFAB COCc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 84714871 PHDNWMVPXQVFTM-KDOFPFPSSA-N 316.445 2.570 0 40 DFAB O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCc2ccncc2)C1 95433957 LLCJMEVKERMJSP-YOEHRIQHSA-N 304.340 2.710 0 40 DFAB C[C@H](NC(=O)c1cc(O)nc(Cl)c1)[C@@H]1COc2ccccc21 95469373 IVZREKCNNHOMQR-CABZTGNLSA-N 318.760 2.735 0 40 DFAB Cc1cc(Oc2ccc(NC(=O)CCn3cccn3)cc2)n[nH]1 95427282 BITNVQUHQTYNQY-UHFFFAOYSA-N 311.345 2.736 0 40 DFAB CC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 95437507 VNUBKMIHKLMXMD-WQVCFCJDSA-N 318.417 2.754 0 40 DFAB COc1cccc(C(C)(C)CNc2ncnc3c2cnn3C)c1 95972788 DQWDGEBJASTCTM-UHFFFAOYSA-N 311.389 2.762 0 40 DFAB CCCN(CCN(CC)CC)C(=O)c1cc(-c2ccco2)[nH]n1 95943073 MQAOUJMWBPCZJI-UHFFFAOYSA-N 318.421 2.864 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccco1 95953178 UZNYDGHMBKGJOW-VIFPVBQESA-N 314.370 2.993 0 40 DFAB COCCOc1cc(C(=O)N(C)c2cc(F)ccc2F)ccn1 95990983 OLZHYCBMVSQBES-UHFFFAOYSA-N 322.311 2.662 0 40 DFAB Cc1cccc(C(=O)NCCc2nc(C(F)(F)F)cs2)n1 78935558 KQVJSHDHQAFIHT-UHFFFAOYSA-N 315.320 2.838 0 40 DFAB C[C@H](Cc1ccsc1)Nc1cc(N2CCC[C@@H]2CO)ncn1 75128484 SUJVKKXQVXYXOG-TZMCWYRMSA-N 318.446 2.542 0 40 DFAB Cc1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1Cl 32646613 PBICJDZFVQVOFV-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2cc(C3CC3)nn12 36615709 GEUHCPVTXIPSRJ-UHFFFAOYSA-N 323.308 2.701 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCCc1ccccc1 32138856 MGAXDJLPMXHNTE-HNNXBMFYSA-N 304.434 2.678 0 40 DFAB COC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 32187101 ULFOPKYXAMMNLA-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB CCOC(=O)c1ccc(OCC)c(I)c1 39951774 MXPVGVLCSXIAHE-UHFFFAOYSA-N 320.126 2.867 0 40 DFAB COCC[C@H](C)NC(=O)Nc1cccc(-c2nccn2C)c1 77445530 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CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccncc1F 96461622 RJOBFBRMGFFMPD-INIZCTEOSA-N 302.349 2.725 0 40 DFAB CC(C)c1ccccc1Oc1ccccc1C(=O)NCC(N)=O 97371865 MXKSOQZRVIBTJP-UHFFFAOYSA-N 312.369 2.817 0 40 DFAB C[C@H]1CN(S(=O)(=O)C2CCOCC2)CC[C@@H]1c1ccccc1 96428477 LYOXEJFONZKWDK-YOEHRIQHSA-N 323.458 2.621 0 40 DFAB C[C@@H](CNC(=O)NCc1ccncc1)c1ccc(F)c(F)c1 96431346 BOMSWBBZBQANJN-NSHDSACASA-N 305.328 2.963 0 40 DFAB COC(=O)[C@@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 96029634 QZVXWAMKIRAQPP-MRXNPFEDSA-N 309.365 2.798 0 40 DFAB Brc1cc(CNc2ncnc3[nH]cnc23)cs1 49469666 NURRZNBECXZNLX-UHFFFAOYSA-N 310.180 2.789 0 40 DFAB O=C(O)CCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 238163398 NCVUCBHLLBKHKK-GFCCVEGCSA-N 322.163 2.981 0 40 DFAB Cc1cc(C(=O)NCCSCC(C)(C)O)ccc1Cl 97227764 CAURURWHCZWBPR-UHFFFAOYSA-N 301.839 2.882 0 40 DFAB CS(=O)(=O)CCN1CCC[C@H]1[C@H]1CCCc2ccccc21 247523645 MGASLQPRBUAIBD-IRXDYDNUSA-N 307.459 2.616 0 40 DFAB COc1ccc([C@H]2CNCCN2Cc2scnc2C)cc1 257241282 HXKONYBKQFLQKL-OAHLLOKOSA-N 303.431 2.607 0 40 DFAB Cc1ccc(OCC(=O)O)c([C@H]2Cc3ccccc3C(=O)O2)c1 256027859 GWSXXLYROONESJ-MRXNPFEDSA-N 312.321 2.913 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCc1nccs1 252484590 FZWHGMNIQUGLLD-NSHDSACASA-N 320.462 2.564 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3ccccc3F)C2)n1 257326154 WWAZFCMTUNMEQP-CQSZACIVSA-N 301.365 2.806 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)s1 257281885 ORIOZLWQLZEJQN-BBRMVZONSA-N 307.463 2.897 0 40 DFAB CO[C@H]1CCN(c2ccc(C(=O)NCc3cccs3)cc2)C1 252482125 CZCVZBYHYCMLJS-HNNXBMFYSA-N 316.426 2.903 0 40 DFAB O=S(=O)(N[C@H]1CCO[C@H](c2cccnc2)C1)C1CCCCC1 296278468 YRHMLPXJFPWFEV-HOCLYGCPSA-N 324.446 2.554 0 40 DFAB CCOCC(=O)N1Cc2c(ccc(Cl)c2Cl)NC1=N 585138886 LRWCVVBYZCHEBJ-UHFFFAOYSA-N 302.161 2.719 0 40 DFAB CCOc1ncccc1CNC(=O)Nc1ccc(OC)c(F)c1 57753640 UVQRWVSLPLBOJY-UHFFFAOYSA-N 319.336 2.950 0 40 DFAB c1ccc(-c2nccc([C@@H]3CCCN3c3cnccn3)n2)nc1 72355809 SIEYZJSBPMFJIT-HNNXBMFYSA-N 304.357 2.670 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 72305476 JGJXJOLFMAOPRG-MRXNPFEDSA-N 313.353 2.648 0 40 DFAB CC(C)c1cc(C(=O)NC2(c3ccccc3)CCOCC2)n[nH]1 95395733 UVODKNFMUJCMCD-UHFFFAOYSA-N 313.401 2.969 0 40 DFAB Cc1ncc(CNC(=O)NC[C@@H](C)Oc2ccccc2F)s1 96439566 MNEJCBIUFRBGCP-SNVBAGLBSA-N 323.393 2.857 0 40 DFAB O=C(CCc1cccnc1)Nc1ncccc1Br 81764208 MMFKCKNTAHAAHA-UHFFFAOYSA-N 306.163 2.810 0 40 DFAB OC[C@]1(Cc2cccc(F)c2)CN(C2CCCCC2)CCO1 1615143109 YKLCGDMBWRGWKD-SFHVURJKSA-N 307.409 2.764 0 40 DFAB CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc(OC)c(C)c1 12362902 KFRXXBYYWADXGA-INIZCTEOSA-N 304.434 2.537 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)c1C 14267197 FOHFZTYQQUXTBN-AWEZNQCLSA-N 300.402 2.715 0 40 DFAB CC[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1cc(C)on1 16745761 ARMZOGMECJXHOK-LBPRGKRZSA-N 306.293 2.696 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)ccc1F 16780636 NQRFCUJDDKMVMQ-UHFFFAOYSA-N 323.345 2.838 0 40 DFAB CO[C@]1(COc2cccc(F)c2)CCN(Cc2cscn2)C1 643914063 KLFRISIUHOGWJO-MRXNPFEDSA-N 322.405 2.952 0 40 DFAB Cn1cccc(C(=O)NCc2cc(-c3ccco3)cs2)c1=O 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Cc1cc(Cn2cnc3ccc(Br)cc3c2=O)no1 7830642 GJCBITKXBPWLTA-UHFFFAOYSA-N 320.146 2.504 0 40 DFAB COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 382391 UXLHGRDYPSTKPO-UHFFFAOYSA-N 314.385 2.877 0 40 DFAB aggregator COC(=O)[C@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 6099521 XESZBQOJZSRHNE-YFKPBYRVSA-N 306.174 2.690 0 40 DFAB COC(=O)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 7637649 BPQVVISGRMKHPN-UHFFFAOYSA-N 312.822 2.922 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1F 8259651 FSXJJONQCQKNMJ-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB CC(=O)[C@H]1[C@@H]2Oc3ccccc3[C@@H]1NC(=O)N2c1ccccc1 104588231 AZNVJKPHQYKGOP-IKGGRYGDSA-N 308.337 2.881 0 40 DFAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 16416422 QCIXRRDCDICCIJ-ZDUSSCGKSA-N 313.353 2.718 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H]2CCCCO2)C1 22014822 RYQYYHZMPHEQEU-RDJZCZTQSA-N 302.418 2.906 0 40 DFAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)CCC(C)C 20151335 JNMXDUFCCGPSOJ-UHFFFAOYSA-N 308.403 2.942 0 40 DFAB COc1ccc(OC)c(CC(=O)N2CCc3ccccc3C2)c1 22251077 BIVYGIBXHWUCCJ-UHFFFAOYSA-N 311.381 2.831 0 40 DFAB COc1ccc(-c2nnc([C@@H](C)N3CCO[C@H](C)C3)o2)cc1 106034187 DRPPVSTYKASDDG-VXGBXAGGSA-N 303.362 2.527 0 40 DFAB CC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc31)CC2 102705564 SDRGMRVIKCNEBW-BFYDXBDKSA-N 314.429 2.636 0 40 DFAB CCOc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1 54143855 YLYKVQBUEWTCJD-UHFFFAOYSA-N 312.369 2.974 0 40 DFAB O=C(OCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2 25066625 SKNJDTBKRPLSJN-UHFFFAOYSA-N 322.320 2.958 0 40 DFAB COC(=O)C[C@H](NC(=O)Cc1ccccc1F)c1cccs1 25082486 NALXCZQVMIRCLR-ZDUSSCGKSA-N 321.373 2.850 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)NCC1CCCCC1 3228990 HMOOEWNPHJWRCM-UHFFFAOYSA-N 319.401 2.614 0 40 DFAB O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCC1 69663534 SXMMODGKIBANSE-ZDUSSCGKSA-N 323.234 2.944 0 40 DFAB C[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccco1 108145199 WLSCMZAEJKWHME-GHMZBOCLSA-N 319.327 2.619 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 1943606 BPKKSCCWGMGHCC-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB CC[C@@H](COc1ccccc1F)NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 110681493 WRFWTXHVKRRZKZ-KLZCAUPSSA-N 322.380 2.602 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2cccc2)c1 58264173 BAMRSEASEZOOOJ-CYBMUJFWSA-N 323.352 2.827 0 40 DFAB O=C(CSc1ccc(O)cc1)NC(=O)NCc1cccs1 58277745 CCEBGGAGFJKMBO-UHFFFAOYSA-N 322.411 2.572 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(C)C)cc1 58246075 AOCBXBABDKMYHG-KXKDPZRNSA-N 300.402 2.706 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)[C@H]3CCCO3)c2)cs1 27877297 MWGKOELXLKOLDT-YMTOWFKASA-N 305.403 2.744 0 40 DFAB O=S(=O)(NCc1ccccc1F)c1cc(F)cc(F)c1 10494668 SZPLEHMEPZIECQ-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB Cc1ccnc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)c1 10430560 QNHQSHXZZXTKIQ-UHFFFAOYSA-N 324.340 2.913 0 40 DFAB CCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 58440199 UCSRFINCKXYULC-GFCCVEGCSA-N 303.431 2.644 0 40 DFAB CC[C@@](C)(NC(=O)c1csc(-c2ccc(C)o2)n1)C(=O)OC 58407719 HEEAZFPZFZDUPL-OAHLLOKOSA-N 322.386 2.783 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccnc1Cl 3312946 JZHILOUHDUMPED-JQWIXIFHSA-N 310.781 2.587 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nncn2C)c(Cl)c1 3396481 DXKHQRNXRZHCHK-UHFFFAOYSA-N 310.810 2.816 0 40 DFAB CCn1c(=O)n(C[C@H](O)c2ccc(F)cc2)c2ccccc21 58647916 SGXKQHLZIWNPPT-INIZCTEOSA-N 300.333 2.696 0 40 DFAB O=c1c2ccsc2ncn1Cc1nnc(-c2ccccc2)o1 12844631 MQUXJSCHLDHDHJ-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB NC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 3423038 ZIFCAVLGDUSEDF-UHFFFAOYSA-N 309.247 2.847 0 40 DFAB C[C@@](O)(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccco1 81835462 SFAUTDASTUVOMX-OAHLLOKOSA-N 318.354 2.721 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(F)cc1F 8323319 OBXOSCGWPHSLJF-CQSZACIVSA-N 324.327 2.840 0 40 DFAB CN(C)C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 6078682 HBLCLFGVVTWMEU-UHFFFAOYSA-N 315.753 2.939 0 40 DFAB CCN(C)CCNC(=O)c1sc(-c2ccsc2)nc1C 65403852 JITHEBJLMVRVAA-UHFFFAOYSA-N 309.460 2.862 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCc2sccc2C1 65435070 BRKRFUHVTHJFEA-BZNIZROVSA-N 315.394 2.861 0 40 DFAB CC[C@@H](C)NC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 69582239 GCQMQJDMIBALMK-CYBMUJFWSA-N 324.469 2.591 0 40 DFAB Cc1nn(C)c(Cl)c1CN1CCCC[C@@H]1Cn1cccn1 69951424 SLZYXCDLOZJHST-CYBMUJFWSA-N 307.829 2.633 0 40 DFAB O=C(NCc1ccoc1)Nc1cccc(-c2nnc3n2CCC3)c1 69921390 KJHOLTGJMMNQED-UHFFFAOYSA-N 323.356 2.806 0 40 DFAB Cc1ccccc1CSc1nc2cc(F)ccc2c(=O)n1N 71327730 FVNKTGJGYGOEIY-UHFFFAOYSA-N 315.373 2.850 0 40 DFAB O=C(OC1CCCCCCC1)c1cccc(-n2cnnn2)c1 71794487 DFDBXQSPXCSBIO-UHFFFAOYSA-N 300.362 2.932 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@H]1c1ccc(F)cc1F 96405890 UQJBNSIQMMACLL-UVBJJODRSA-N 320.383 2.669 0 40 DFAB CCOC1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 71820670 HVHQIJYWXDCFNK-UHFFFAOYSA-N 301.390 2.523 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n1 72235637 QCPHTDXGEZAKGA-FUHWJXTLSA-N 324.428 2.788 0 40 DFAB COc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)cc1F 72274186 MZCNTFKSCWVDHI-TZMCWYRMSA-N 323.412 2.631 0 40 DFAB COc1cccc(NC(=O)CNC(=O)CCC2CCCC2)c1 72282658 JEGCEAMJAPHUQT-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB C[C@H](Nc1cnn(CCN2CCOCC2)c1)c1cccc(F)c1 97038628 NYGYPRQOBAZUIY-AWEZNQCLSA-N 318.396 2.528 0 40 DFAB Cc1nc(CC(C)C)c(NC(=O)N2CCCN(C)CC2)s1 97052241 IYRGTSOUELHCCX-UHFFFAOYSA-N 310.467 2.819 0 40 DFAB CCn1ncc(C(=O)O[C@@H](C)C2CCOCC2)c1C(F)(F)F 97031995 KNHORZCAJBUBGB-VIFPVBQESA-N 320.311 2.894 0 40 DFAB O=C(NCCOC[C@H]1CCCO1)c1ccc(F)c(Cl)c1F 97138718 NULJBWHLXVATOI-SECBINFHSA-N 319.735 2.544 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@H]3CCC[C@@H]3C)cc2)CC1 97113579 MLADIWWMZWTHBL-KXBFYZLASA-N 315.461 2.951 0 40 DFAB Cc1nn(C)c2ncc(NCc3ccc4c(c3)OCCO4)cc12 95350765 SQXXTGAMCZNKTP-UHFFFAOYSA-N 310.357 2.660 0 40 DFAB COc1ccc(CN(C)C(=O)COc2ccccc2)cc1OC 20458757 GQKZELQLTHFOQT-UHFFFAOYSA-N 315.369 2.741 0 40 DFAB COCc1cc([C@@H](C)N[C@H](C)c2cnn(C)c2)ccc1OC 95968470 BXSFSJCQYHPYDT-CHWSQXEVSA-N 303.406 2.987 0 40 DFAB c1ccc(-c2nc([C@H]3CN(Cc4ccccn4)CCO3)no2)cc1 95999851 IQUDFSSGESNJKY-MRXNPFEDSA-N 322.368 2.705 0 40 DFAB COC(=O)c1csc(NC(=O)c2n[nH]c3ccccc23)c1 89404438 USXIJMYYTWDWGJ-UHFFFAOYSA-N 301.327 2.663 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cnn(C(C)C)c1 89529175 OGRQWGFNTUGFQF-SNVBAGLBSA-N 305.382 2.822 0 40 DFAB Cc1ccccc1CCCN(Cc1ccccn1)S(C)(=O)=O 89689324 VEPPJEAOQADURM-UHFFFAOYSA-N 318.442 2.784 0 40 DFAB O=C(C1CCCCC1)N1C=C2c3ccccc3CCN2C(=O)C1 60057237 RAZNCTHEBQFYML-UHFFFAOYSA-N 310.397 2.792 0 40 DFAB CC(C)n1ccc2c(NC(=O)CCCn3cnnn3)cccc21 524732301 IRDSOUXMSCRWTC-UHFFFAOYSA-N 312.377 2.628 0 40 DFAB C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 78978829 KCMLXLWYTFKHQV-SNVBAGLBSA-N 315.822 2.561 0 40 DFAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 72203035 XDQCQIZYGUPGPK-NSHDSACASA-N 324.450 2.644 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)o1 32611151 ZCVBNVIGLCWBNF-SNVBAGLBSA-N 315.295 2.989 0 40 DFAB COC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=S)n2C(C)C 36617107 NXJSSAQBICLQBK-UHFFFAOYSA-N 319.386 2.699 0 40 DFAB Cc1cc2nc([C@@H]3CCCN3C(=O)c3cc[nH]n3)[nH]c2cc1C 72346761 KYAZHAXPTGVIEM-HNNXBMFYSA-N 309.373 2.880 0 40 DFAB Cc1nccnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 72203902 BPNHXZDBNZWUFI-CYBMUJFWSA-N 306.410 2.621 0 40 DFAB CN1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 72394175 OEOFKFDDLCMIFY-UHFFFAOYSA-N 323.440 2.941 0 40 DFAB CC[C@@H](C(=O)N1CCCc2c(F)ccc(F)c21)N1CCCC1=O 189005643 KFELEFAJJUMJAK-AWEZNQCLSA-N 322.355 2.645 0 40 DFAB Cc1cnc(CCNC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)nc1 562664537 JPPPVVKOWNUQNH-INIZCTEOSA-N 316.449 2.938 0 40 DFAB CN(C)C(=O)c1cc(NC(=O)Nc2ccc3c(c2)CCC3)ccn1 77717903 DRGRETPWPAIWJE-UHFFFAOYSA-N 324.384 2.916 0 40 DFAB O=c1ccc(-c2nc(-c3cccc(Br)c3)no2)c[nH]1 40478840 DMXLJGOLWSBFKU-UHFFFAOYSA-N 318.130 2.854 0 40 DFAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1C1CC1 40398296 IPMQHHNESUOEEO-UHFFFAOYSA-N 321.315 2.580 0 40 DFAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccnc1 224703558 INSNQUVSUSGBDL-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB O=C(Nc1cc(-c2ccccc2)nn1CCO)c1ccsc1 49027716 KZLRULKMSHRHEH-UHFFFAOYSA-N 313.382 2.856 0 40 DFAB COC[C@@](C)(N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 192739602 LMWADDQBFPFNHB-FUHWJXTLSA-N 304.434 2.537 0 40 DFAB CCOC(=O)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1 82822212 IWQYGYDVEHFFQD-UHFFFAOYSA-N 315.251 2.530 0 40 DFAB Cc1cccc(N(C)C(=O)Cn2c(C)nc3ccccc3c2=O)c1 44841300 IUDVTHVLRPWGSB-UHFFFAOYSA-N 321.380 2.676 0 40 DFAB Cn1cnc2cc(C(=O)OC[C@H]3CCOc4ccccc43)cnc21 191635601 YRFVZIGWHPKXFJ-GFCCVEGCSA-N 323.352 2.691 0 40 DFAB Cc1nnc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nn12 41076392 LWPQNUUQAZUKRD-UHFFFAOYSA-N 317.418 2.649 0 40 DFAB O=C(Cc1ccsc1)N[C@@H](c1cccnc1)C1CCOCC1 225622209 XCILDACUEBRMFW-QGZVFWFLSA-N 316.426 2.970 0 40 DFAB Cc1ncc(C[S@](=O)c2ccc3c(c2)OCCCO3)s1 83078310 HSSDVEANMUZRNG-HXUWFJFHSA-N 309.412 2.921 0 40 DFAB C[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 96306204 IOUGDLVGAMVLPG-WQGWLQIFSA-N 305.380 2.598 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1C(C)C 96208615 VOFJOAKQNDGCQB-QGZVFWFLSA-N 320.477 2.691 0 40 DFAB COc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1F 97378821 ZKNZSKXHLIOAQS-CZUORRHYSA-N 322.380 2.591 0 40 DFAB C[C@H](NC(=O)Nc1ccc(-n2ccnn2)cc1)c1cccnc1 96403452 LJRJZBOBDGQJES-LBPRGKRZSA-N 308.345 2.545 0 40 DFAB CC(C)(C)OC(=O)NC(=N)[C@H]1CCCN1C(=O)OC(C)(C)C 98181737 MRWVGJSEZOLYPF-SNVBAGLBSA-N 313.398 2.888 0 40 DFAB COc1cccc(CSCC(=O)NCc2cccnc2)c1 96409779 GKYTUZFXFRWGQM-UHFFFAOYSA-N 302.399 2.640 0 40 DFAB CC(C)(O)CNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 96466822 CEHRNTHEESYLGU-UHFFFAOYSA-N 315.417 2.671 0 40 DFAB COc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)c(C)n1 96471157 VGWOQNNRYCIQKZ-SECBINFHSA-N 304.350 2.886 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)CCc2cccs2)n1 257260156 LBNGDLSZEKHPIE-CQSZACIVSA-N 316.430 2.876 0 40 DFAB O=C1CN2C(=Nc3cc(Cl)ccc3[C@H]2c2ccccc2)CN1 96024249 COOSSEDDSUWJFJ-QGZVFWFLSA-N 311.772 2.905 0 40 DFAB COc1ccc(Cl)cc1CN[C@H](C(N)=O)c1ccccc1 56161755 HADDPBWGHQXHGZ-HNNXBMFYSA-N 304.777 2.665 0 40 DFAB CCn1cnnc1CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 56402181 AHNNTWRLEPQBRQ-NSHDSACASA-N 321.812 2.854 0 40 DFAB CO[C@@]1(CNC(=O)Cc2c(F)cccc2Cl)CCSC1 96120691 AFHFZOIYNUBAGS-CQSZACIVSA-N 317.813 2.660 0 40 DFAB N[C@@H]1CC[C@H](CNC(=O)NCc2ccc(Cl)cc2Cl)C1 1580388656 SGDXONQECVKVCQ-JOYOIKCWSA-N 316.232 2.920 0 40 DFAB CCc1nn(C)cc1N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 123865157 MHQOEITZBOHUAJ-QWHCGFSZSA-N 308.426 2.840 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 5625709 UHULWDURCACYGK-OCCSQVGLSA-N 313.401 2.551 0 40 DFAB CN(CCc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 15042396 BCVJVIWADGTOLP-UHFFFAOYSA-N 319.449 2.955 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3cccc(C)c3)=NO2)CCOCC1 19234571 UXDRRAPOTNBLEK-OAHLLOKOSA-N 317.385 2.848 0 40 DFAB Cc1cc(C(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c(C)o1 390828768 UEBLDSATMDZPKM-CQSZACIVSA-N 303.362 2.914 0 40 DFAB NC(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 30583444 ZUJDRQRICQIIJG-UHFFFAOYSA-N 315.398 2.763 0 40 DFAB c1cnc(OC[C@@H]2CCCN(c3nccc4occc34)C2)cn1 2298215375 YYFFFLOJPGCSBM-CYBMUJFWSA-N 310.357 2.913 0 40 DFAB Cc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)c(C)c1 19132924 RCSMHWAWLWJOCQ-QGZVFWFLSA-N 308.425 2.849 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C1=C(COC1=O)N2 20086462 OMGRRSXUTCGXSO-GFCCVEGCSA-N 301.733 2.740 0 40 DFAB O=C(O)[C@H]1CCC(=O)N1C1c2ccccc2Oc2ccccc21 134552 NSLOMGGNTJDLSV-CYBMUJFWSA-N 309.321 2.957 0 40 DFAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1 207077 FYRPDSVRKDODDO-HMEQZMJYSA-N 309.365 2.787 0 40 DFAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 411621 ICXBGJDNEMRZIN-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB O=C(O)CCCC(=O)c1ccc(I)cc1 2579889 AJIJFBZEGHQKQL-UHFFFAOYSA-N 318.110 2.729 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N1CCC([C@@H](C)O)CC1 69622250 HDQZEFYIXLRLKB-SNVBAGLBSA-N 312.797 2.973 0 40 DFAB CN(C(=O)CSc1nnnn1C1CCCC1)c1ccccc1 16371483 VQOMSQRGXLEVDQ-UHFFFAOYSA-N 317.418 2.543 0 40 DFAB NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 7951930 YPZDDWHUYSEXHQ-GFCCVEGCSA-N 301.820 2.875 0 40 DFAB O=C(COC(=O)c1ccccc1)NCCCCc1ccccc1 1745630 NOLXFPDSSMWCRG-UHFFFAOYSA-N 311.381 2.983 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1 3325155 OEDIGZQVDHFJAU-LLVKDONJSA-N 310.806 2.907 0 40 DFAB OCC1(CNc2nc(-c3ccccc3)nc3ccccc23)COC1 89851374 VBMJPNWKYTVHTE-UHFFFAOYSA-N 321.380 2.718 0 40 DFAB Cc1cc(C(=O)CSc2nncn2CC(F)(F)F)c(C)[nH]1 51972894 PGBNXRJCZLUTAF-UHFFFAOYSA-N 318.324 2.760 0 40 DFAB CCc1cc2c(N[C@H](C)CN3CCCC3=O)ncnc2s1 52488556 LGHBQNYLXJZELE-SNVBAGLBSA-N 304.419 2.677 0 40 DFAB CSc1nc2c(c(Nc3ccc(O)c(C(=O)O)c3)n1)CCC2 11907813 KMULGRRWOWHJAU-UHFFFAOYSA-N 317.370 2.835 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1O 32995808 IFDIGOGPFJHSIR-LLVKDONJSA-N 319.744 2.615 0 40 DFAB O=C(OCCOc1ccccc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773087 BYOWOZMWUFEDIO-QAQJPARQSA-N 316.397 2.940 0 40 DFAB CCCNc1nc(Nc2ccc(OC)cc2)c2cnn(C)c2n1 21873696 VRLVJGRQKKEAQL-UHFFFAOYSA-N 312.377 2.937 0 40 DFAB COc1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 520273 YYGIOODMHKDPQH-UHFFFAOYSA-N 309.354 2.923 0 40 DFAB COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1 530423 XQEUJJZMKFRCBU-UHFFFAOYSA-N 323.381 2.707 0 40 DFAB CN(C)[C@@H](CNCc1ccc2c(c1)OCCO2)c1cccs1 22799063 PUNMXVKNCCWFSC-AWEZNQCLSA-N 318.442 2.912 0 40 DFAB CC[C@@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1 47471360 AXUPLPXUMMBGFD-CYBMUJFWSA-N 301.390 2.523 0 40 DFAB Cc1ccc(-c2csc3ncn(CCCO)c(=O)c23)cc1 21525252 CERYHENLEUGZCE-UHFFFAOYSA-N 300.383 2.816 0 40 DFAB COc1ccc(N[C@H](C)C(=O)NCc2ccccc2Cl)cn1 12539038 RRPUNTNOHNYULK-LLVKDONJSA-N 319.792 2.860 0 40 DFAB COCc1nnc(NC(=O)CCCOc2cccc(C)c2)s1 1903836 GLIGCKOJJWVBCS-UHFFFAOYSA-N 321.402 2.791 0 40 DFAB CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)n2c1NCC2 20135989 NVMGDUBGZDHTBO-UHFFFAOYSA-N 316.357 2.775 0 40 DFAB O=C(COc1nc(-c2ccccc2Cl)no1)c1ccc[nH]1 58308270 PAACBSNDOBJCFQ-UHFFFAOYSA-N 303.705 2.980 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C)c(C(=O)O)c1 58357533 VVMHSYMXIUFZJI-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1nc2sc3c(c2c2nc(/C=C/C(=O)O)nn12)CCCC3 2348527 RTCMHHLIUJJIDZ-VOTSOKGWSA-N 314.370 2.624 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)s1 3384828 JDWUWSGDRUSFTP-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB CCN(CC)CCCNCc1cc2cc(C)ccc2[nH]c1=O 12706429 ZFBZPXWMWUYDJN-UHFFFAOYSA-N 301.434 2.658 0 40 DFAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2)cc1 48354334 VWJZDUKHSQCEAI-GFCCVEGCSA-N 300.358 2.738 0 40 DFAB COc1ccccc1-c1n[nH]c(NC(=O)c2ccsc2)n1 48333979 MFFZGPAEHLPCFF-UHFFFAOYSA-N 300.343 2.794 0 40 DFAB Cc1cc(NC(=O)CSc2nccc(C(F)(F)F)n2)no1 12884899 VDFLNHPUYAKYPG-UHFFFAOYSA-N 318.280 2.523 0 40 DFAB Cc1ccccc1-n1nc(C(N)=O)nc1-c1cccc(Cl)c1 408693757 DALDTSQYQSSUBV-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB O=C(CCCc1nc2ccccc2s1)NC1=NCCS1 3455699 YGOQNTKCBGRBPY-UHFFFAOYSA-N 305.428 2.838 0 40 DFAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)NCc1ccco1 13010838 YVLHURMJIMCWHN-INIZCTEOSA-N 302.349 2.872 0 40 DFAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c1 64982487 RJUSQQMOYRZRNE-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H]3CCc4nc(C)cn4C3)coc2c1 65458083 QEDKRBJEEYKXQF-HNNXBMFYSA-N 323.396 2.920 0 40 DFAB CC[C@@H](OC(=O)c1ccc(C)s1)C(=O)Nc1cc(C)on1 14076142 LRQLPZVHYQJKCR-SNVBAGLBSA-N 308.359 2.927 0 40 DFAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 14093630 ROZURMJWPPSTJM-UHFFFAOYSA-N 322.364 2.896 0 40 DFAB Cc1cc(C)cc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 14199790 MEUKDCPMCFEBJV-GJZGRUSLSA-N 303.402 2.965 0 40 DFAB CC(C)CCN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 65622056 JWWDWEGDPDXVEW-UHFFFAOYSA-N 314.385 2.563 0 40 DFAB Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CC1 69874225 ZGEQBKRDQDEEPQ-UHFFFAOYSA-N 318.270 2.775 0 40 DFAB Cc1cccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1 69808874 ANDYBWGNUGQSRB-UHFFFAOYSA-N 316.445 2.760 0 40 DFAB Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1 90181641 JEZPJRMFMBTUHA-JQWIXIFHSA-N 307.463 2.989 0 40 DFAB CC(C)Cn1cc(NCc2ccccc2N2CCOCC2)cn1 90200082 XDHNGFWGOYDDMO-UHFFFAOYSA-N 314.433 2.988 0 40 DFAB O=C(N[C@H]1CCN(C2CC2)C1)c1cccnc1Oc1ccccc1 67863710 NGMUUMCTZGLWOG-AWEZNQCLSA-N 323.396 2.840 0 40 DFAB Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1C 8987002 ZKEHUGKYLPYFPG-UHFFFAOYSA-N 307.353 2.721 0 40 DFAB C[C@H](Nc1cccc(CO)c1)C(=O)N1c2ccccc2C[C@@H]1C 72120239 MZTVYYSSHCEWIN-KBPBESRZSA-N 310.397 2.957 0 40 DFAB CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)N(C)C 89997110 FUWOXBOPUVEAOA-BZUAXINKSA-N 323.868 2.542 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc2ccccc2[nH]1 9115830 BMKWLPYFXPBHAF-UHFFFAOYSA-N 309.325 2.863 0 40 DFAB COc1cc(NC(=O)c2ccccc2O)cc(OC)c1OC 9459041 LSVVYIKFJPGNDE-UHFFFAOYSA-N 303.314 2.670 0 40 DFAB C[C@@H](CC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)C1CC1 71830299 GXTPGIFEWCMELU-BBRMVZONSA-N 300.402 2.512 0 40 DFAB C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@@H]1CCCO1 71886633 KILADXBYLKUTAN-GUYCJALGSA-N 315.417 2.967 0 40 DFAB Cc1ccc([C@H]2C[C@@H]2NCc2c(C)nn(CCO)c2C)cc1C 71837274 BWBJZXIMPYQASF-MJGOQNOKSA-N 313.445 2.755 0 40 DFAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 71915808 VFJJSTWOMYTKTE-GFCCVEGCSA-N 323.439 2.935 0 40 DFAB C[C@@H](Cc1cccs1)C(=O)N[C@@H](C(=O)O)c1ccccc1 97018024 SUGMBKAEEPXVOL-SMDDNHRTSA-N 303.383 2.869 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)c2ccc(F)cc2n1 97197936 NWHBPPKRNAFTNG-CYBMUJFWSA-N 324.359 2.624 0 40 DFAB COc1cc([C@H](C)NC(=O)N2CC[C@H](C)C2)cc(OC)c1OC 75582246 ACTVDVBYTOXJEX-RYUDHWBXSA-N 322.405 2.825 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)[C@H](C)c1ccc2c(c1)OCCO2 75686366 QKLOXEBFZJWGBD-SECBINFHSA-N 301.346 2.540 0 40 DFAB C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCOCC1 95426251 BFKAHWKQDJLVGB-HIFRSBDPSA-N 310.438 2.593 0 40 DFAB C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(F)cc2[nH]cnc12 95427631 RUOYOICPMLMOMB-JTQLQIEISA-N 313.332 2.769 0 40 DFAB CC(C)C[C@H](C)NC(=O)N1CCCN(CC(F)(F)F)CC1 95434953 YESUGOSBCPNYTF-LBPRGKRZSA-N 309.376 2.701 0 40 DFAB CCO[C@H]1C[C@H](OC(=O)CCCC(=O)NC(C)C)C12CCC2 84800812 LDUUSWKBRZISOH-KBPBESRZSA-N 311.422 2.572 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)NCc1noc(C)n1 78942479 VPYMJWFQAXFZHV-AWEZNQCLSA-N 302.378 2.507 0 40 DFAB CC(C)c1cccc(COc2c(CO)cc(F)cc2CO)n1 95939917 DQTKZKKMXBQCSN-UHFFFAOYSA-N 305.349 2.908 0 40 DFAB COC(=O)C[C@H]1CCCCN1C(=O)[C@@]1(C)CC1(Cl)Cl 95956315 RUVRMEPMWNIEBF-BXKDBHETSA-N 308.205 2.515 0 40 DFAB C[S@](=O)c1cccc(NC(=O)NCCC[C@@H]2CCCCO2)c1 95940609 QGMOXZCVXKSJAO-RCDICMHDSA-N 324.446 2.895 0 40 DFAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1F 79389866 VTXXMLJYMKYNGH-ZYHUDNBSSA-N 323.339 2.828 0 40 DFAB Cc1ccc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)cc1 306124938 CCPQJXQYVCLTSA-UHFFFAOYSA-N 318.380 2.910 0 40 DFAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN2CC[C@H]1C2 1548606262 MJCNBRDEMXWBPJ-HNNXBMFYSA-N 324.384 2.796 0 40 DFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(F)ccc2F)o1 39972304 TWYBYYGKFLENDX-SECBINFHSA-N 301.314 2.906 0 40 DFAB O=C(OCCn1cccn1)c1cccc(OCc2cccnc2)c1 73090827 JXYCSZIIRXZPAZ-UHFFFAOYSA-N 323.352 2.714 0 40 DFAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C(C)C)CC1 72222674 IHQMZQAKPSDBGL-IBGZPJMESA-N 324.472 2.969 0 40 DFAB Cn1nccc1CCN1CCC(Oc2cncc(Cl)c2)CC1 563364657 NXTPYATZIBMHHK-UHFFFAOYSA-N 320.824 2.554 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(O)c(C(=O)O)c1 75284887 CEFANYFLKFTODW-FPYGCLRLSA-N 301.273 2.881 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)C(C)(C)CO1 36076011 ZOCOAUODRCKAMC-JTQLQIEISA-N 303.811 2.528 0 40 DFAB CCc1ccc([C@@H]2COCCN2Cc2nc(C(=O)O)cs2)o1 565102182 CIAVSFGPOGAECB-LBPRGKRZSA-N 322.386 2.570 0 40 DFAB COc1ccc(-c2nc(C)cc(SCC(=O)O)n2)cc1OC 49468900 HUORLLYEIKKMTE-UHFFFAOYSA-N 320.370 2.646 0 40 DFAB CCN(Cc1ccccc1)c1ccc(S(C)(=O)=O)c(N)c1 42783755 GSHUIJTXTBFPCT-UHFFFAOYSA-N 304.415 2.699 0 40 DFAB COC(=O)c1cccc(NC(=O)COc2ccccc2F)c1C 44625269 INPCXDKYYDEKQT-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1 224205157 BSRLHQLYXCXRNU-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB O[C@H]1CCCC[C@@H]1n1nnc(-c2ccccc2Br)n1 225463771 AZCCKVYEZLWCKN-RYUDHWBXSA-N 323.194 2.579 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@@]1(O)CCOc2ccccc21 75158090 DQXRSTNBZYLAFU-OZSKJFCKSA-N 315.394 2.548 0 40 DFAB C[C@](O)(CNC(=O)/C=C/c1cccc(F)c1)c1cccs1 80879429 AZPCICXAONOKCP-WAVCKPEOSA-N 305.374 2.924 0 40 DFAB CN1CC[C@H](CNCc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 95447471 KBCDEQNUCVVROQ-WBMJQRKESA-N 322.815 2.985 0 40 DFAB CC(C)c1sc(Cl)nc1C(=O)NCCCn1ccnc1 95478144 GXOGWWOSCAFHPV-UHFFFAOYSA-N 312.826 2.937 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccn(CC(F)F)n1 96452294 NFNWQHNPXPMKJL-SSDOTTSWSA-N 313.308 2.636 0 40 DFAB Cc1cc([C@@](C)(O)CNc2ccccc2S(C)(=O)=O)c(C)o1 96429575 BERUUHNNYWNQDK-INIZCTEOSA-N 323.414 2.620 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(F)cc1 96181889 BMJSYAHYWSOLNG-WBVHZDCISA-N 318.392 2.794 0 40 DFAB Cc1nnc(CN2CCCc3cc(Br)ccc32)n1C 48611505 OZQOLRPFFFZATJ-UHFFFAOYSA-N 321.222 2.839 0 40 DFAB CCc1nnc2n1C[C@@H](NC(=O)c1oc3ccccc3c1C)CC2 97198662 ZLBJIJYHPXBACK-LBPRGKRZSA-N 324.384 2.640 0 40 DFAB c1ccc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 96046956 PJQSRHSHOYOXGL-HXUWFJFHSA-N 322.456 2.965 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)s1 96184596 JPDXUDIJWAZIGI-DLBZAZTESA-N 316.474 2.639 0 40 DFAB CCC(CC)CN1CCC2(CC1)CN(Cc1cccnc1)C2=O 96202897 RSYPTNNCXQOABC-UHFFFAOYSA-N 315.461 2.942 0 40 DFAB C[C@@H]1C[C@H](OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC(C)(C)C1 247875508 NXZJLWYLJHLXEE-HMDCTGQHSA-N 313.482 2.688 0 40 DFAB Cc1ccccc1-n1nc(C(=O)O)c(N(C)Cc2ccccc2)n1 256046744 HUADOUBWYCMLTL-UHFFFAOYSA-N 322.368 2.910 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2nccnc2-c2cc[nH]n2)CC1 257281629 OQEJFEBJFSZWHP-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1c1ccn[nH]1 257239838 HQZPKAJXMAIBDO-HNNXBMFYSA-N 315.421 2.874 0 40 DFAB NC(=O)c1cccc2c1CCCN2CCOc1ccccc1F 41623886 OWQRIDRUMXCUPK-UHFFFAOYSA-N 314.360 2.756 0 40 DFAB NC(=O)c1ccc(CNCCSCc2ccccc2)cc1 48683249 GKJCGPWZRCPAGP-UHFFFAOYSA-N 300.427 2.809 0 40 DFAB O=C(c1ccco1)N1CCC(c2nc(-c3ccncc3)no2)CC1 804304 PZAJHOOZDRVZLC-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB Brc1cnc(Nc2cnn(-c3ccccn3)c2)nc1 71916173 YRJWJAZWKQFMHR-UHFFFAOYSA-N 317.150 2.563 0 40 DFAB CC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 81278528 GHNIHNKAVSSQCP-KRWDZBQOSA-N 317.410 2.624 0 40 DFAB Clc1ccc(-c2nc([C@H]3COCCN3)no2)c(Cl)c1 96001429 YAPBXZHYVDJPGC-SNVBAGLBSA-N 300.145 2.704 0 40 DFAB COc1cc(OC)cc(OCC(=O)NCc2ccc(F)cc2)c1 5497258 GMJCJXJNPKBNOC-UHFFFAOYSA-N 319.332 2.538 0 40 DFAB Cc1c(C(=O)NC[C@@H](C)n2cncn2)[nH]c2c(Cl)cccc12 12201553 MRKQHFGGEPXHIL-SECBINFHSA-N 317.780 2.712 0 40 DFAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 15331140 VXKYJPLWUMUYOC-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl 15424773 MDBPOLAFUPCOSN-UHFFFAOYSA-N 307.136 2.986 0 40 DFAB COC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 20616572 LLJNGSJHXQIHMF-WCBMZHEXSA-N 315.251 2.923 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)n1 27655605 BNTYNWDQDFMPSW-NSHDSACASA-N 317.776 2.800 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)CSCc1cccc(Cl)c1 37410389 URQUGQNUPRKMAM-LBPRGKRZSA-N 313.806 2.649 0 40 DFAB O=C(c1ncccn1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 2037846004 KQWCHDDDZPJDGB-CQSZACIVSA-N 318.380 2.730 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc(Cl)cc3)cnc2s1 4517262 LUOFKYJAZIJUPV-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB Cn1/c(=N\C(=O)c2ccccc2)sc2cc3c(cc21)OCO3 12080576 FYKLLVPOTFNAEH-WUKNDPDISA-N 312.350 2.710 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1cc(-c2ccccc2)on1 38752545 NRARMANLBVSFQK-UHFFFAOYSA-N 311.341 2.805 0 40 DFAB O=C(/C=C/c1ccccc1)NCC1CCN(c2ncccn2)CC1 43976843 IJAPYWYZANBXKB-BQYQJAHWSA-N 322.412 2.523 0 40 DFAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1ccc(Cl)c(F)c1 530165741 UBZDYTQOYRZGKF-UHFFFAOYSA-N 321.739 2.552 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2nc(C3CC3)ns2)CC1 1057868302 YPIHXDNYUVKNEM-UHFFFAOYSA-N 308.451 2.547 0 40 DFAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 192332 PAOFUZXUAWTZSW-YRNVUSSQSA-N 304.758 2.945 0 40 DFAB Cc1csc([C@](O)(CC(=O)NC2CCCC2)C(F)(F)F)n1 67704512 YXHSRBKZRJZWEK-GFCCVEGCSA-N 322.352 2.650 0 40 DFAB COC(=O)c1ccccc1S(=O)(=O)Nc1cc(C)ccc1C 2646271 VPLGDJZPFJJEGT-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB Cc1nccn1-c1cc(CNC(=O)N2CCC[C@H](C)C2)ccn1 46101856 LIOLPQSVTREULA-ZDUSSCGKSA-N 313.405 2.517 0 40 DFAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@@]3(C)CC[C@@H]21 3977850 UHQGCIIQUZBJAE-KZYORJDKSA-N 302.414 2.883 0 40 DFAB in-vitro O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 4203362 IWUFTOBAXFRALB-DLBZAZTESA-N 309.365 2.702 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)O)c2)c1 6668826 DPNQHYUYPIMBTQ-UHFFFAOYSA-N 311.384 2.580 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccnc1 6747806 RKAHUWVVWRSBNE-MRXNPFEDSA-N 308.316 2.786 0 40 DFAB CCC(C)(C)NC(=O)CS(=O)(=O)Cc1cccc(Cl)c1 32929674 WNNKHGMAYHKKGM-UHFFFAOYSA-N 317.838 2.560 0 40 DFAB CCOC(=O)N[C@H](C(=O)Nc1ccc(OCC)cc1)C(C)C 32913996 KBIYIJXVWBDOHH-AWEZNQCLSA-N 308.378 2.795 0 40 DFAB Cc1nc(S)sc1CC(=O)Nc1nc2c(s1)CCC2 41837941 YSJAPRWOWBMFKM-UHFFFAOYSA-N 311.457 2.867 0 40 DFAB CCOC(=O)CCC(=O)Nc1cccc(Br)c1 7755776 HSOGMYZYIXMMMQ-UHFFFAOYSA-N 300.152 2.731 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCn1c(=O)n(C)c2ccccc21 23679910 KYGZZGISCSNLDH-CQSZACIVSA-N 315.417 2.521 0 40 DFAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C)noc1C 16123389 LKTXAHLQJOAAHY-UHFFFAOYSA-N 306.387 2.741 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 43066232 MIIFBYIKUKIAQM-UHFFFAOYSA-N 316.445 2.773 0 40 DFAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1F 106179659 XKTNIWYYRCTVTL-IIMNLJJBSA-N 324.783 2.738 0 40 DFAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCC(F)(F)F)cc1 24853554 FDTXWYIKSXSEJZ-MRVPVSSYSA-N 320.336 2.804 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cn1 55442438 IPZFDRKPXGZHJI-QGZVFWFLSA-N 315.392 2.726 0 40 DFAB Cc1ccc(CN2C[C@H]3[C@@H](CC(=O)N4CCCC4)[C@H]3C2)s1 107745904 GWYZMTJHEHFVHZ-MUJYYYPQSA-N 304.459 2.747 0 40 DFAB C[C@H](Cc1ccco1)Nc1ccc2nnc(C(F)(F)F)n2n1 25575847 UYDPHBWFFDYDHS-MRVPVSSYSA-N 311.267 2.779 0 40 DFAB CNC(=O)[C@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 25862308 GGVBGCNUMZWQMV-VIFPVBQESA-N 322.748 2.595 0 40 DFAB CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1F)C2 108532213 VSUGWBPZIDSPLK-YOEHRIQHSA-N 308.372 2.703 0 40 DFAB O=C(O)c1cccn1-c1cccc(I)c1 35431652 BEHVWILOAHVACA-UHFFFAOYSA-N 313.094 2.780 0 40 DFAB in-vitro CCS[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C 66270566 LNNWTLVAIWKMEI-ZDUSSCGKSA-N 315.460 2.806 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 21972785 NZLPHXSODNOKRW-UHFFFAOYSA-N 323.392 2.975 0 40 DFAB NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 3295406 NVMMJAJSGVJBGK-TWGQIWQCSA-N 317.197 2.988 0 40 DFAB c1nc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c2ccsc2n1 58279954 RFUPYXBTWDVEJX-GXTWGEPZSA-N 318.446 2.604 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1F 3201696 COEONWWYPSJOHD-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccccc1NC(=O)COC(=O)/C=C/c1cccs1 3224669 BOGUXQRPOYZENQ-CMDGGOBGSA-N 317.366 2.952 0 40 DFAB C[C@@H](Sc1ccc(O)cc1)C(=O)NC(=O)NC1CCCC1 58305420 OCSMUZOGXARSTF-SNVBAGLBSA-N 308.403 2.641 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 58340918 DBRZDXYVOMTRIO-QWHCGFSZSA-N 308.341 2.911 0 40 DFAB CC(=O)N1CCC(C(=O)NCC[C@H](C)c2ccccc2)CC1 58378378 MIVHIBSOMCSBMF-AWEZNQCLSA-N 302.418 2.555 0 40 DFAB Cc1csc2nc(CN3CCc4ccccc4C3)cc(=O)n12 12693571 QZAJZSGDFWHXNI-UHFFFAOYSA-N 311.410 2.623 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](n3nc(C)c(C)c3C)C2=O)cc1C 2358423 LJOWHGUZBKHBHO-MRXNPFEDSA-N 311.385 2.930 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1 3335485 QURFHFKUXGAAMH-UHFFFAOYSA-N 308.381 2.852 0 40 DFAB FC(F)(F)c1ccc(NCc2cccnc2-n2cncn2)nc1 48354277 ZVFBKOJPAGOIKU-UHFFFAOYSA-N 320.278 2.688 0 40 DFAB O=C(OCc1ccc(F)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 48341167 YOPKKKWECCUYIT-UHFFFAOYSA-N 316.332 2.747 0 40 DFAB Cc1nc(C)c([C@H](C)NS(=O)(=O)N2CCCCCC2)s1 48674084 LEKALJXKTLWXRZ-NSHDSACASA-N 317.480 2.531 0 40 DFAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)nn(C)c1C 16969478 BZXXSWIJMPIDAD-UHFFFAOYSA-N 321.764 2.520 0 40 DFAB CC(C)(C)n1ncc2c(=O)[nH]c(NC[C@@H]3Cc4ccccc43)nc21 91454879 LFMMQCCAZQWFJJ-LBPRGKRZSA-N 323.400 2.626 0 40 DFAB O=C(CSc1nnc2n1CCCCC2)Nc1cccc(F)c1 6097095 ROIKWKAJEBJJJQ-UHFFFAOYSA-N 320.393 2.874 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 69737337 FYCKAOPEKSMTJU-LBPRGKRZSA-N 324.371 2.589 0 40 DFAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4cccnc4)n3)cc2c1 5180282 LZAVZGVITWKNGI-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB Cn1ccnc1CCNC(=O)c1cc2c(s1)CCCCC2 65488058 NJQSXCBQNUTAER-UHFFFAOYSA-N 303.431 2.723 0 40 DFAB Cc1nc(/C=C/C(=O)NCCCN2CCC(C)CC2)cs1 65586506 UOJCQSKFOGUPLV-SNAWJCMRSA-N 307.463 2.703 0 40 DFAB COc1ccc2c(=O)c(C(=O)N3CCCCCC3)c[nH]c2c1 6786834 OKKUSJNOAXZXSG-UHFFFAOYSA-N 300.358 2.553 0 40 DFAB COc1ccccc1C[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 66742628 ZEJSYFQTVWPMFL-RHSMWYFYSA-N 303.402 2.655 0 40 DFAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NC(=O)NC(C)(C)C 7059792 KHMJGOSHCYNHBB-SECBINFHSA-N 320.418 2.668 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)C1 8753670 PGLFMRURDQIQCP-VIFPVBQESA-N 324.837 2.962 0 40 DFAB COc1ccc(C)cc1/C=C/C(=O)Nc1cccc(C(N)=O)c1 8944081 AJJJDYVPYPGICQ-VQHVLOKHSA-N 310.353 2.754 0 40 DFAB C[C@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccccc1 96009887 PWXZEPHXSBSMDG-HOCLYGCPSA-N 318.417 2.932 0 40 DFAB COc1cc(Br)ccc1CCCNC(=O)N(C)C 96009572 MALASTIFKIKDOD-UHFFFAOYSA-N 315.211 2.662 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)Nc2cccnc2-c2ccco2)C1 96010629 LLOHPDASUVCGJP-NWDGAFQWSA-N 301.346 2.576 0 40 DFAB CCc1cccc2c(CCNC(=O)NC[C@H]3CCOC3)c[nH]c12 71897682 NSKMHOSVPKJNOH-CYBMUJFWSA-N 315.417 2.609 0 40 DFAB CC(C)Cc1cc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)[nH]n1 71896753 VTKTYFYUQGZDOX-UHFFFAOYSA-N 310.361 2.646 0 40 DFAB C[C@H](NCCCc1cnn(C)c1)c1ccc2c(c1)OCCCO2 97016759 MJWMSJVUMKUDMX-AWEZNQCLSA-N 315.417 2.865 0 40 DFAB CC(C)Nc1ncccc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 76083190 HDPRKGLELBGIFS-UHFFFAOYSA-N 322.372 2.939 0 40 DFAB O=C(CCn1ccnc1[C@@H](O)c1ccccc1)Nc1ccccc1 97114079 FDTOVUYXERMXBV-SFHVURJKSA-N 321.380 2.994 0 40 DFAB COc1ccccc1NC(=O)CNC(C)(C)c1nc(C)cs1 72663155 IBWXCVRWMULKPT-UHFFFAOYSA-N 319.430 2.924 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H](C)c2nc(C(C)C)no2)[C@H](CC)C1 84736186 GGIWWTWMKLAHQZ-MJBXVCDLSA-N 322.453 2.881 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1O)N[C@H](c1ccccc1)[C@H]1CCCO1 78748038 KSNKRLOPPRCZMA-YYIAUSFCSA-N 318.417 2.509 0 40 DFAB CC[C@H](NS(=O)(=O)C[C@H](C)c1ccccc1)c1noc(C)n1 95427593 GHCTVLVAFLADDR-FZMZJTMJSA-N 323.418 2.552 0 40 DFAB O=c1onc(-c2ccccn2)n1CCSc1ccccc1F 95463596 CHFXFKURKVFEHF-UHFFFAOYSA-N 317.345 2.830 0 40 DFAB Cc1ncsc1CN[C@H](C)Cn1cc(Br)cn1 95421957 WSFWQVLAONNERZ-MRVPVSSYSA-N 315.240 2.589 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(O)cc1 95473737 OULHJPPBUAAYOX-ZDUSSCGKSA-N 319.386 2.887 0 40 DFAB Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cc(C(N)=O)c[nH]1 79018360 ORYSCHLHGHPMFN-MRXNPFEDSA-N 313.401 2.891 0 40 DFAB 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O=C(CSCc1nc(C2CC2)no1)N1CCCCCCC1 79371236 SFXWHVXOPNTPFX-UHFFFAOYSA-N 309.435 2.973 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(C)no1 79320779 ORQAUJWHUXESQV-AWEZNQCLSA-N 300.358 2.839 0 40 DFAB O=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)N2CCCC2)C1 36398370 URXUOYIKLJEYCI-CYBMUJFWSA-N 319.380 2.692 0 40 DFAB CCOc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 72395117 NQBNJDZKHBXZHL-CRAIPNDOSA-N 316.401 2.729 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)[C@H](c1ccccc1)n1cnnn1 71332969 NABLEWMJQOWCSJ-HOCLYGCPSA-N 315.421 2.594 0 40 DFAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3C3CCC3)n2)cn1 35426309 WQMMWZRQTFONMA-AWEZNQCLSA-N 313.405 2.887 0 40 DFAB biogenic,in-vitro Cc1cnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)s1 78032314 ZUZHDNUOESIWTK-SKDRFNHKSA-N 321.427 2.671 0 40 DFAB CO[C@H]1C[C@@H](NC(=O)Cc2nsc3ccccc23)C12CCC2 564862155 GYVJQNPGEOBCEG-CABCVRRESA-N 316.426 2.913 0 40 DFAB Clc1cncc(NCCc2csc(N3CCCC3)n2)n1 78340491 RGIVTKGFMVLGJE-UHFFFAOYSA-N 309.826 2.841 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 40088072 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RXWFNITXNRHHHQ-HNNXBMFYSA-N 312.417 2.994 0 40 DFAB CCc1cc(Oc2ccc3c(c2)CCCC3=O)n2ncnc2n1 65621035 YUUKOIPBHKDQAN-UHFFFAOYSA-N 308.341 2.998 0 40 DFAB O=C(O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 4641515 FXIVNDDVYGCWLO-UHFFFAOYSA-N 310.103 2.993 0 40 DFAB CC(=O)c1ccc(OCCCC(=O)O[C@@H]2CCCC2=O)cc1 7780154 LGEASPSKFXWRMN-MRXNPFEDSA-N 304.342 2.713 0 40 DFAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc3ncccn3n2)cc1 72292639 GCUCYNIPURSSBP-LSDHHAIUSA-N 321.384 2.990 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 72235168 HJGROAMMCFFREI-OAHLLOKOSA-N 302.353 2.511 0 40 DFAB CCn1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc2ccccc21 71819812 LWRNGMZCKVBJEL-QGZVFWFLSA-N 321.380 2.618 0 40 DFAB O=C(c1cccnc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 71888496 XGIPVRMSVMCVRM-KRWDZBQOSA-N 314.360 2.807 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2[nH]cnc2c1 9645098 FMFRXORBOJXHBX-UHFFFAOYSA-N 309.325 2.564 0 40 DFAB Cc1sc([C@H](C)NCC(N)=O)nc1-c1ccc(Cl)cc1 97112374 FDUKCYMZWNCPJJ-QMMMGPOBSA-N 309.822 2.908 0 40 DFAB Cn1cc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cn1 97107702 QLZZCWXUUWBCGD-NSHDSACASA-N 319.233 2.732 0 40 DFAB CN(C)c1ncccc1N(C)C(=O)[C@@H]1CSc2ccccc21 79025305 LDDRNDWSHLEXNN-CYBMUJFWSA-N 313.426 3.000 0 40 DFAB Cc1cc([C@@H](C)Nc2ncnc3c2cnn3CCO)c(C)s1 97200078 HPJGEQGMMPHHCX-SNVBAGLBSA-N 317.418 2.670 0 40 DFAB Cn1cc(C2CCN(C[C@H](O)c3cc(F)ccc3F)CC2)cn1 97202902 PXWRFDODYYJCKF-KRWDZBQOSA-N 321.371 2.611 0 40 DFAB O=C1C[C@@H](CNc2nnc(C3CC3)s2)c2ccccc2N1 84578855 BPLZSYPFRMMATA-JTQLQIEISA-N 300.387 2.953 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2ccncc2Cl)C2CC2)n1 95450820 LLQLMQCPOXOHGZ-ZDUSSCGKSA-N 302.765 2.715 0 40 DFAB Cc1ccccc1C[C@H](CNC(=O)c1ccc(C#N)cc1)C(=O)O 95425414 YUMDFMIYPFHEOL-QGZVFWFLSA-N 322.364 2.540 0 40 DFAB Cn1cc([C@]2(C)CN(c3ccnc4ccsc34)CCO2)cn1 95415167 XVDRFVCMDIPJBY-INIZCTEOSA-N 314.414 2.782 0 40 DFAB O=C(NC1CCN(Cc2cccs2)CC1)c1ccncc1F 95400499 OLBKKBSKFVZMDV-UHFFFAOYSA-N 319.405 2.677 0 40 DFAB COc1cccc([C@@H](O)C(=O)NC[C@H](C)c2ccsc2)c1 95979446 BOSDMTJXJDYDGD-XHDPSFHLSA-N 305.399 2.710 0 40 DFAB CC(C)(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)O 95956914 STPABBHWFKJNDF-UHFFFAOYSA-N 317.366 2.901 0 40 DFAB CCCCc1nc2cc(NC(=O)[C@@]3(O)CCSC3)ccc2[nH]1 95980083 VGWVMXPZIPWPGS-MRXNPFEDSA-N 319.430 2.712 0 40 DFAB CCS[C@@H]1CC[C@@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)C1 110688560 RWWRSJGLNWHOCS-XNRPHZJLSA-N 317.462 2.987 0 40 DFAB CCn1ccc(=O)c(NC(=O)Cc2c(C)[nH]c3ccccc23)c1 89309934 GNQXDQKKXUAXEK-UHFFFAOYSA-N 309.369 2.839 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@@H]1CCC[C@H]1O 89548217 QKSZKMLFPNYCCH-NWDGAFQWSA-N 320.414 2.945 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1cscn1 75130528 HWMWWWUGMHKLCQ-CQSZACIVSA-N 318.446 2.790 0 40 DFAB Cc1cc(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)c(C)o1 32647677 YENRJCLMQXRSQK-UHFFFAOYSA-N 314.320 2.928 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 56923971 VNJPJKYPGUEZIA-UHFFFAOYSA-N 324.384 2.726 0 40 DFAB Cc1nc(NC2CC(C)(C)NC(C)(C)C2)c2c(n1)c(C)nn2C 32650412 IJWQPUYDVYRDGK-UHFFFAOYSA-N 316.453 2.701 0 40 DFAB O=C(NCCCc1nnc2ccccn12)c1ccccc1Cl 36354594 BFZRCZGIJUQUGK-UHFFFAOYSA-N 314.776 2.745 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1C 74935872 ZEIRQDOLBMVQRE-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB N[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218489735 BXWFWHOCVJPUJP-ILXRZTDVSA-N 307.802 2.607 0 40 DFAB Cc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)[nH]n1 47555249 ZTMGJQFFTAJARO-UHFFFAOYSA-N 307.357 2.645 0 40 DFAB Cc1cnc(CCNC(=O)Nc2scnc2C(C)C)nc1 574038242 QBTFXALELGMNGS-UHFFFAOYSA-N 305.407 2.729 0 40 DFAB COc1ccc([C@@H](CC(=O)O)CC(=O)Nc2cc(C)on2)cc1 223101374 UKBSIZXKSAWIIP-GFCCVEGCSA-N 318.329 2.579 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1[C@H]1CCC[C@H](F)C1 574989269 LFZWBJVZGIMYNS-KKUMJFAQSA-N 302.349 2.656 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NC)c1ccccc1 223337262 VGSNMELDBOZZCN-SFHVURJKSA-N 310.397 2.913 0 40 DFAB O=C(Nc1cccc(COCC2CC2)c1)N1CCCC[C@H]1CO 89865939 YLRIANSHJRYJJU-KRWDZBQOSA-N 318.417 2.992 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCC(C)CC2)n1 225884091 BCNKVZCTBZGXPX-UHFFFAOYSA-N 313.858 2.673 0 40 DFAB CCOC(=O)c1cnc2cc(-c3ccccc3OC)nn2c1C 226106939 BCGLSPPXHLSUTH-UHFFFAOYSA-N 311.341 2.890 0 40 DFAB O[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)c1cccc(F)c1 97200703 XFNPAUWWYXGEMN-YOEHRIQHSA-N 315.392 2.688 0 40 DFAB C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1nnc(-c2ccco2)o1 97103331 YLACRSOQDVZVJL-NWDGAFQWSA-N 318.377 2.779 0 40 DFAB COC(=O)c1cc(CN2CCO[C@H](c3ccccc3C)C2)c[nH]1 93478506 FPZOIPZJVVCPAM-KRWDZBQOSA-N 314.385 2.683 0 40 DFAB CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)CC3=CCCCC3)C2)O1 96219401 CGRIHUGPSGVTCG-IEBWSBKVSA-N 320.477 2.979 0 40 DFAB CCc1noc(C2CCC(NC[C@@H](O)c3ccco3)CC2)n1 96499732 PJADURCWIHHVDL-WXRRBKDZSA-N 305.378 2.574 0 40 DFAB O=C(CCC(=O)NCc1ccc(F)cc1)NCc1ccccc1 96184270 LYIRRUNMHPBLIY-UHFFFAOYSA-N 314.360 2.539 0 40 DFAB CC(C)[C@@H]1N(S(=O)(=O)c2ccc(N)cc2)CC12CCCC2 578605088 PVPWTSFNHZMHOU-HNNXBMFYSA-N 308.447 2.858 0 40 DFAB CC[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1F 95433323 MDJNAKSCZGBAON-HOTGVXAUSA-N 323.389 2.616 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(C(F)(F)F)nc(C3CC3)n2)C1 96516944 CDSRAVQEPRNCGD-SECBINFHSA-N 315.295 2.674 0 40 DFAB Cc1cccc(C)c1[C@H](C)NC(=O)c1conc1C(C)(C)N 579731828 OOHBUONHWGBLAY-LBPRGKRZSA-N 301.390 2.976 0 40 DFAB Cc1cc2cc(CN[C@H](C)CN3CCN(C)CC3)oc2cc1C 96453974 LYTFXQJSHKIHQV-MRXNPFEDSA-N 315.461 2.775 0 40 DFAB Cc1noc([C@@H]2CCN(c3ccncc3Br)C2)n1 333699507 NURGBGGFHJVWLA-SECBINFHSA-N 309.167 2.529 0 40 DFAB CCN(CC(C)(C)O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 96459626 TZHLSNSSPALAFJ-UHFFFAOYSA-N 302.378 2.701 0 40 DFAB C[C@H]1CN(C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C[C@@H](C)O1 95532660 NXZJLWYLJHLXEE-SIRPWMCASA-N 313.482 2.688 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CNC2CCOCC2)nc1 257273980 NJANGFXVVLOQOM-UHFFFAOYSA-N 312.369 2.715 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)[nH]n1 257234568 GUEICOVVSLOMNK-RDJZCZTQSA-N 304.438 2.622 0 40 DFAB Cc1ncoc1C(=O)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257343786 ZUKNVKUHNDFESG-FOLVSLTJSA-N 312.369 2.913 0 40 DFAB CNc1cc(C)nc([C@@H]2COCCN2Cc2sccc2C)n1 257320083 VVHWPJYJWDHSBD-ZDUSSCGKSA-N 318.446 2.770 0 40 DFAB CN1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2)CC1 585113232 OOGMMBSZXNZLGP-SFHVURJKSA-N 300.446 2.952 0 40 DFAB CCN1CC[C@@]2(CCCN(C(=O)c3ccsc3)CC2)C1=O 585102578 ZYPPPZAVASHEHL-MRXNPFEDSA-N 306.431 2.613 0 40 DFAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCN2CCCC[C@H]12 47226764 HMYVQFWFYVESFR-RTBURBONSA-N 324.424 2.962 0 40 DFAB CN(C(=O)COC(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 63943214 LFEVMJNSNRNJTH-UHFFFAOYSA-N 324.380 2.890 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)no1 76043723 MGUGRNIQQJDGRR-LBPRGKRZSA-N 320.418 2.864 0 40 DFAB CC(=O)N1CC(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 97105625 UENHGNDUQYBLHY-SFHVURJKSA-N 314.429 2.903 0 40 DFAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccccc3O)C(=O)O2)cc1 5044062 FMRZOTZIBOEVNS-GDNBJRDFSA-N 322.320 2.695 0 40 DFAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccncc2)C1 12089304 FQOMVDJJJCYJDS-HNNXBMFYSA-N 309.369 2.827 0 40 DFAB Cc1cc(N2CC=C(c3ccc(F)cc3)CC2)n2ncnc2n1 19117406 OCZMFZRPDJQYFB-UHFFFAOYSA-N 309.348 2.866 0 40 DFAB COc1ccc([C@@H]2CCCCN(C(=O)[C@H]3CCOC3)C2)cc1 208004684 XAMYNGBRIYFDDU-CVEARBPZSA-N 303.402 2.828 0 40 DFAB Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c(C)o1 244933062 BZKHUAPTGNGDCJ-HDJSIYSDSA-N 315.373 2.806 0 40 DFAB O=c1c(=O)n(-c2ccc(F)c(Cl)c2)ccn1CC1CCCC1 2086950822 GUNQAYWEKSDUOI-UHFFFAOYSA-N 322.767 2.982 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Nc1ccccc1)CC(C)C 40088363 FOFOKHKDWLLKDO-CQSZACIVSA-N 307.394 2.969 0 40 DFAB COc1cc(NC(=O)NC2CCCC2)ccc1N1CCCC1=O 31028593 CQJZWJFYBGUHAJ-UHFFFAOYSA-N 317.389 2.886 0 40 DFAB Cc1ccsc1C(=O)NCCOc1ccc2c(c1)OCO2 40541337 FJMUIFKVWKOLTN-UHFFFAOYSA-N 305.355 2.594 0 40 DFAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccccn3)c2c1 31818618 GQZUKXYTLDZXNT-UHFFFAOYSA-N 321.336 2.977 0 40 DFAB Cc1ccc2c(c1)[C@]1(CC(O)=Nc3[nH]ncc31)C(=O)N2CC(C)C 31809041 NIHUCAIHJHPPBB-SFHVURJKSA-N 324.384 2.999 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)N1CC[C@@]2(CCOC2)C1 89827703 STJSSHMNZJSYAG-QGZVFWFLSA-N 300.402 2.540 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)c1n[nH]c2ccccc12 11484841 XEZWVAYTNYIUPV-UHFFFAOYSA-N 319.368 2.802 0 40 DFAB Cc1c(C(=O)OCC(=O)NC2CCCC2)oc2ccccc12 3537307 OVJSCYPMDOTPRM-UHFFFAOYSA-N 301.342 2.957 0 40 DFAB Nn1c(SCCOc2ccc(F)cc2)nnc1-c1ccco1 4601430 RLQSAVHXLPIUAC-UHFFFAOYSA-N 320.349 2.562 0 40 DFAB CCCCn1nc(C(=O)Nc2cccc3cnccc23)ccc1=O 21217698 ALOFJJYBRQVLHD-UHFFFAOYSA-N 322.368 2.844 0 40 DFAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(F)cc1 32777144 XXGAAYZNNKQJRK-MRVPVSSYSA-N 310.712 2.991 0 40 DFAB NC(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1 32899583 VUJZYYKUCCFXRJ-MDZDMXLPSA-N 317.348 2.986 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H]2CCCC[C@@H]21 46493237 LETNOGPXEZKBOD-JKSUJKDBSA-N 313.401 2.666 0 40 DFAB CCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)o1 46456419 IHZZSXWAVLGUSD-LLVKDONJSA-N 302.378 2.651 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](n3nc(C)cc3C)C2)cn1 69951392 ZGVDPTAHDMQCTG-QGZVFWFLSA-N 312.417 2.610 0 40 DFAB COc1cccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)c1 69952225 GRTGGYBRPPOSSC-KRWDZBQOSA-N 314.433 2.816 0 40 DFAB CCOc1cc(C(=O)Nc2ccn(C)n2)ccc1OC(F)F 2796260 ZZNUGENJOWORSW-UHFFFAOYSA-N 311.288 2.673 0 40 DFAB biogenic,in-vitro CCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 9233794 NALRZLKCZYTUGX-CQSZACIVSA-N 318.417 2.745 0 40 DFAB COC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 507577 ZLPXOMCNWMINIG-UHFFFAOYSA-N 313.151 2.690 0 40 DFAB c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)ccn1 107752015 DUKHZAFUFCEBLM-MOPGFXCFSA-N 316.445 2.879 0 40 DFAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 12123034 JXQGMHSCKRWODJ-GFCCVEGCSA-N 310.353 2.991 0 40 DFAB O=S(=O)(c1ccccc1CNC1CCCC1)N1CCCCC1 42206422 ZHFVCDXPNIUJRX-UHFFFAOYSA-N 322.474 2.893 0 40 DFAB O=C(Nc1nc[nH]n1)c1cc(-c2ccco2)nn1-c1ccccc1 23141286 KIMDQBUCQLZUNQ-UHFFFAOYSA-N 320.312 2.503 0 40 DFAB C[C@H]1CNCCN1C(=O)c1ccc(Br)cc1Cl 54369354 XNIPFJBBRJGLSL-QMMMGPOBSA-N 317.614 2.536 0 40 DFAB Cc1cccc(-n2c(=O)c3[nH]c4ccccc4sc=3c2=O)c1 100128752 ZMGXNWRENVRTIJ-UHFFFAOYSA-N 308.362 2.774 0 40 DFAB Cc1csc(N2CCN(C(=O)NCc3cccs3)CC2)n1 42838110 IHZKFBFDPBFMIZ-UHFFFAOYSA-N 322.459 2.545 0 40 DFAB COc1ccc(C(N)=O)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106097141 ULJQSOUGNHENPF-GVXVVHGQSA-N 302.374 2.559 0 40 DFAB c1cc(-c2nc(CN3CCS[C@@H]4COCC[C@H]43)no2)cs1 107365254 TVNXGPWXYYYRPN-VXGBXAGGSA-N 323.443 2.504 0 40 DFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1CC=CCC1 57348394 DECRQBPZUNZDKG-OAHLLOKOSA-N 318.392 2.647 0 40 DFAB O=C1c2ccccc2N[C@@H](c2csnn2)N1Cc1cccnc1 57771368 TZRZPEWGZSJHED-OAHLLOKOSA-N 323.381 2.700 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1Cl)C(=O)NC1CCCC1 58160326 DUJKSGOOGIJYSP-JTQLQIEISA-N 309.797 2.909 0 40 DFAB CC(C)CCNC(=O)Nc1cccc(CN2CCOC2=O)c1 58129918 MJRXXYCLFBDGNT-UHFFFAOYSA-N 305.378 2.806 0 40 DFAB CC(C)n1nccc1NC(=O)CN(C)Cc1cccc(F)c1 44888995 LHVODLGXCGCYHI-UHFFFAOYSA-N 304.369 2.674 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)c1ccsc1 58202220 CGPWYZAGIFYRLJ-OAHLLOKOSA-N 314.414 2.657 0 40 DFAB CCN1CCC[C@@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 58393743 HZDORRVPQFRKRY-AWEZNQCLSA-N 303.406 2.743 0 40 DFAB O=C(COCC1CC1)Nc1ccc(-c2cn3cccnc3n2)cc1 58357656 VDRZJASFXNDLHI-UHFFFAOYSA-N 322.368 2.761 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1C 3246561 UMBQCIPJSTZQSQ-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB O=C(NCCc1ccc(Br)s1)c1ccncc1 10499531 CWMDOZRLLFDZGE-UHFFFAOYSA-N 311.204 2.878 0 40 DFAB Cc1ccc2oc(C(=O)NCCCCN3CCOCC3)cc2c1 58407741 SLOHTCPJBJWNIR-UHFFFAOYSA-N 316.401 2.583 0 40 DFAB O=C(CNC(=O)c1ccccc1F)Nc1ccc2c(c1)CCC2 3337071 QPNXSKWQESDZRN-UHFFFAOYSA-N 312.344 2.683 0 40 DFAB Cc1ccsc1CN(C)CC(=O)NCc1ccccc1F 7691322 XFKQPFCNJKKPQN-UHFFFAOYSA-N 306.406 2.944 0 40 DFAB Cc1ncc2c(n1)CCN(C(=O)NCc1ccc(Cl)s1)C2 48308550 HYTFLGUMYSAZHB-UHFFFAOYSA-N 322.821 2.768 0 40 DFAB Cc1ccccc1-n1cc(CNCCO)c(-c2ccccc2)n1 12884976 IZDCMUPVHVMADW-UHFFFAOYSA-N 307.397 2.930 0 40 DFAB CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 68450737 KGVMXHUVVXVLLY-UHFFFAOYSA-N 323.458 2.783 0 40 DFAB CC(C)COC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 68432556 MWIOLSXVCTWAJH-UHFFFAOYSA-N 318.461 2.782 0 40 DFAB COc1ccc([C@@H](C)N2CCC(CC(N)=O)CC2)cc1Cl 69708984 DERVDMVJAXSMKS-LLVKDONJSA-N 310.825 2.997 0 40 DFAB COc1ccc(/C=C2/SC(=N)NC2=O)cc1Br 16226532 WZIAOIMRPWAIKR-WEVVVXLNSA-N 313.176 2.596 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4085055 TWNZZZOKICMJNQ-BZNIZROVSA-N 302.374 2.716 0 40 DFAB biogenic CC(C)(C)c1nnc(NC(=O)COc2ccc(F)cc2)s1 4106544 AHAOKUWNAMHVTN-UHFFFAOYSA-N 309.366 2.992 0 40 DFAB COc1cc(CN2C(=O)N[C@@](C)(C(C)C)C2=O)ccc1SC 68774945 JPWJOCGNYHRPCG-INIZCTEOSA-N 322.430 2.884 0 40 DFAB Cc1ccc(N2C(=O)N(CC(=O)C(C)(C)C)C(=O)[C@H]2C)cc1 8638233 LHUHQWIXAJUFQR-GFCCVEGCSA-N 302.374 2.767 0 40 DFAB COc1cc(OC)c(C(=O)NOCc2ccccc2)cc1OC 8096686 MVCHERPABMIOAL-UHFFFAOYSA-N 317.341 2.574 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nnco2)cc1 5208632 DNMNQEOAGSVPLT-SWLSCSKDSA-N 315.373 2.810 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1C1OCCO1 69298894 OPPKUDAEXNBWFC-GFCCVEGCSA-N 307.415 2.604 0 40 DFAB COc1cccc(-c2nsc(NC(=O)c3ccncc3)n2)c1 70036809 QXHMYEHLCLXCCS-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB Fc1ccccc1N1CCN(C(=S)Nc2cccnc2)CC1 4623775 CVWAPIDGUDRNTJ-UHFFFAOYSA-N 316.405 2.740 0 40 DFAB c1csc(CN[C@H]2CCc3nc(NC4CC4)ncc3C2)c1 306141850 WIBPQAVWSKYXES-ZDUSSCGKSA-N 300.431 2.760 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)c2cc(C3CC3)[nH]n2)c1 66447886 FOGAJSQNYNUVJI-UHFFFAOYSA-N 312.417 2.669 0 40 DFAB CCOCCO[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1 69454316 BEUPOKMMPIXISW-ZDUSSCGKSA-N 313.825 2.830 0 40 DFAB O=C(NC1CCCCC1)c1[nH]nnc1Nc1ccccc1F 67283713 VOOSMHPSYUWRLE-UHFFFAOYSA-N 303.341 2.750 0 40 DFAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1 7038885 LLJCJEQMYGJNBS-NSHDSACASA-N 306.431 2.970 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67333753 AXHGLIZNOZVXDW-VXGBXAGGSA-N 305.378 2.918 0 40 DFAB COC(=O)c1ccc(NC(=O)CSc2nc(C)cs2)cc1 7196213 SXPNGEXGKBNKAQ-UHFFFAOYSA-N 322.411 2.969 0 40 DFAB O=S(=O)(NCc1cccs1)c1ccc(F)c(F)c1F 7213596 RUMNNAPNGUPGBX-UHFFFAOYSA-N 307.318 2.644 0 40 DFAB O=C(Nc1ccc(Cl)c(Br)c1)[C@H]1CSCN1 87153089 SQBPVBJQTVVCDP-SECBINFHSA-N 321.627 2.704 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cc(CC(C)C)[nH]n2)ccc1F 84090247 KPWIPZKTWIIGLZ-UHFFFAOYSA-N 311.382 2.857 0 40 DFAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC1CCCCCC1 8918693 RWELOHJLGHFDFU-UHFFFAOYSA-N 320.433 2.535 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(C(=O)O)cc1 71281711 RHAATIJROBDCRX-NSHDSACASA-N 315.329 2.579 0 40 DFAB C[C@H]1NCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595813 NUPHTDGZNNRLKW-PELKAZGASA-N 304.287 2.715 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1cccc(OCC(F)F)n1 97034828 LKBPKCIWAISOOG-DFBGVHRSSA-N 312.360 2.629 0 40 DFAB Cn1cc(-c2cncc(C(=O)N(CC(F)(F)F)C3CC3)c2)cn1 71888789 UOQLVTWVZJJCNK-UHFFFAOYSA-N 324.306 2.649 0 40 DFAB Cc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)cc1 71904662 WXNGZFWINDAXHT-IBGZPJMESA-N 323.440 2.713 0 40 DFAB CCc1cc(Sc2nnc(N3CCCC3)s2)nc(C)n1 71922426 YRHGRURRKGKRRE-UHFFFAOYSA-N 307.448 2.950 0 40 DFAB C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1cnc2c(c1)ncn2C 97100932 LXXNOBVQINROQJ-MEDUHNTESA-N 323.352 2.895 0 40 DFAB C[C@H](NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)C1CCOCC1 97236313 ZHXIMJSTYMFTMV-POZUXBRTSA-N 316.445 2.611 0 40 DFAB Nc1c(C(=O)N2CCCCC2)cnc2c(-c3ccccc3)cnn12 72403779 OYUGCJOYDBXTGV-UHFFFAOYSA-N 321.384 2.605 0 40 DFAB COC(=O)c1coc(C(=O)N[C@@H](C)Cc2ccc(F)cc2)c1 97376272 UKZUQHNMSRGHPW-JTQLQIEISA-N 305.305 2.566 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccn(C)c1 84667348 BROILFAMGBZVEV-ZDUSSCGKSA-N 313.405 2.903 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 95423972 YWJOGYOAAWLMKL-CYBMUJFWSA-N 303.337 2.889 0 40 DFAB CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](O)C1 74539689 POGOPAHXQRKOFY-IRXDYDNUSA-N 304.434 2.954 0 40 DFAB Cc1cc(C)c(CNC(=O)c2sccc2C2CC2)c(=O)[nH]1 75124554 AQCRADUVCWJKFE-UHFFFAOYSA-N 302.399 2.861 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)c(=O)[nH]1 75120218 GSGGESWIFNILQJ-UHFFFAOYSA-N 314.385 2.538 0 40 DFAB O=C(Cc1csc(-n2cccc2)n1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71286665 SLZSPEXMJKZIEH-HZSPNIEDSA-N 313.426 2.805 0 40 DFAB CC(C)c1nnc2sc(-c3ccc4nsnc4c3)nn12 32106354 PBQDIAQCZJSNDU-UHFFFAOYSA-N 302.388 2.981 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cc(CCc2ccccc2)n[nH]1 77036026 NTDXDYRNXQXKAH-UHFFFAOYSA-N 324.384 2.981 0 40 DFAB Fc1cc(COc2cccc(-n3cnnn3)c2)c2ncccc2c1 31608843 WJPRKFBMWVZFNN-UHFFFAOYSA-N 321.315 2.929 0 40 DFAB CS(=O)(=O)c1ccc(-c2cc([C@H]3CCCN3)ccn2)cc1 72365386 BIQQDULVUAZWGX-OAHLLOKOSA-N 302.399 2.577 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](CN)[C@@H]2c2ccc(F)cc2)cc1 218628251 KJTHRZUGMDHPDK-ULQDDVLXSA-N 319.401 2.649 0 40 DFAB Cc1ccc(CC(=O)N[C@H](CCC(=O)O)c2ccccc2)cn1 139384579 XBWULDYPVADCOT-MRXNPFEDSA-N 312.369 2.655 0 40 DFAB O=C(NCCN1CCCCC1)c1ccc2oc(Cl)nc2c1 225975576 UVKOLALXRXUHAB-UHFFFAOYSA-N 307.781 2.697 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)NCCc1ccccc1 139123824 YGMHBMJVENDXDN-UHFFFAOYSA-N 311.381 2.749 0 40 DFAB COc1cc(CN2CCOC[C@H]2c2nc(C)cs2)ccc1O 194998957 IRLRYPCERGGCNE-ZDUSSCGKSA-N 320.414 2.739 0 40 DFAB COC(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)ccn1 80481555 GVCIKDJOSQBFFO-BDJLRTHQSA-N 310.353 2.532 0 40 DFAB CO[C@H](C)c1noc(CN(C)Cc2ccc3ccccc3n2)n1 81564837 VGGDSHZGPKAQPX-GFCCVEGCSA-N 312.373 2.957 0 40 DFAB Cc1ccc(C(=O)OC[C@@H]2CCCCS2(=O)=O)c(Cl)c1 225423738 NKXQFRHSSODMKW-NSHDSACASA-N 316.806 2.773 0 40 DFAB COc1ccc2c(c1)C1(CCN([C@@H]3CCOC3)CC1)C[C@H]2OC 96241865 XLYGZWGTECXOLM-RDTXWAMCSA-N 317.429 2.909 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1c(C)cc3ccccc31)C2 97198450 NABSSRHCHPKTTM-INIZCTEOSA-N 322.412 2.586 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)SC(=S)N2CCCC2)C1 97603807 BXEDKEBLGZCWFA-JHJVBQTASA-N 314.520 2.993 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(-n2nc(C)cc2C)nc1 97148379 JVWGBMLMHHOZPM-GJZGRUSLSA-N 315.373 2.608 0 40 DFAB COC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ncn(C)c21 96044782 GCBWJVJDJVMFHE-ZDUSSCGKSA-N 305.809 2.819 0 40 DFAB C[C@@H](Cc1cccs1)NC(=O)NC[C@](C)(O)c1cccs1 96417622 LROYIKHNTFRCGC-NHYWBVRUSA-N 324.471 2.948 0 40 DFAB Fc1cc(F)cc(CN2CCN(Cc3cccnc3)CC2)c1 97236825 GYPIWNHFYBFZBU-UHFFFAOYSA-N 303.356 2.678 0 40 DFAB CCc1nnc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)o1 96500907 GTDZFGREFITWSQ-LBPRGKRZSA-N 311.389 2.977 0 40 DFAB COCCN1CCN(Cc2ccc(C)s2)Cc2cccnc21 96060926 AZSHYVPHDQGNMZ-UHFFFAOYSA-N 317.458 2.920 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC(n2cccn2)CC1 96503040 CJBNCXZRYRIWIM-UHFFFAOYSA-N 314.389 2.685 0 40 DFAB CN(Cc1ccccc1)CC(C)(C)NC(=O)CC(F)(F)F 96484081 BURMHIUUCWAEDO-UHFFFAOYSA-N 302.340 2.966 0 40 DFAB Nc1ccc(-c2ccc(-c3ccc(N)cc3N)c(N)c2)c(N)c1 255188168 IUWDQLXUGUDVGW-UHFFFAOYSA-N 305.385 2.932 0 40 DFAB CCn1nccc1-c1cc([C@@H]2CCCCN2C(C)=O)nc(C)n1 257290060 QBKSZUXKHJKXJL-INIZCTEOSA-N 313.405 2.742 0 40 DFAB COCC(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257218029 DBPJCFMQCNAZJM-GLQYFDAESA-N 309.793 2.602 0 40 DFAB CO[C@H]1CCOC2(C1)CN(C(=O)c1oc3ccccc3c1C)C2 575406473 XLYNUDDFARFQCK-ZDUSSCGKSA-N 315.369 2.761 0 40 DFAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)n(C)n1 57169070 COSGXQKVWLIULM-UHFFFAOYSA-N 312.417 2.579 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)Nc1ccc(F)cc1 69582698 VOSHMMNRJLMKBK-UHFFFAOYSA-N 301.281 2.526 0 40 DFAB C[C@H](Cc1ccc2ccccc2n1)SCCS(C)(=O)=O 84640740 UGETXWLDJYYJRA-GFCCVEGCSA-N 309.456 2.944 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC2CCC2)cc1 95427066 AENDZDTYANGGNR-CYBMUJFWSA-N 310.463 2.920 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 96501437 QKLVZXJLJYZNOG-VIFPVBQESA-N 316.232 2.599 0 40 DFAB COCCN1Cc2cc3c(C)cc(C)cc3nc2O[C@@H](C)C1=O 12115598 JHQXODVZAQLJMG-ZDUSSCGKSA-N 314.385 2.608 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)/N=c3/sccn3C)cc2)n1 5937900 ZPBOYJCJFIOSGT-WUKNDPDISA-N 312.398 2.630 0 40 DFAB O=C1OCC[C@@H]1Sc1nc(C2CC2)n(-c2ccccc2)n1 8327470 IQJWZRBOZDAHQX-LBPRGKRZSA-N 301.371 2.552 0 40 DFAB CCC(CC)c1nnc(NC(=O)Cc2c(C)nn(C)c2C)s1 24839266 FCHZAHJOHLUKBM-UHFFFAOYSA-N 321.450 2.973 0 40 DFAB CCn1cc(Br)c(C(=O)Nc2ncc(C)s2)n1 27971348 AWFNSEJCDGUJEE-UHFFFAOYSA-N 315.196 2.683 0 40 DFAB Cc1nc(C2CCN(C(=O)c3cnco3)CC2)cn2cccc12 2037838436 GGWTXUUNMPDTJR-UHFFFAOYSA-N 310.357 2.651 0 40 DFAB CC(C)N1CCO[C@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@@H]2C1 1565547538 JZYGVJUIIHHKFU-TVFCKZIOSA-N 322.493 2.770 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)CN1C 1565542861 YJNAPMCPWABAPQ-SJLPKXTDSA-N 320.477 2.692 0 40 DFAB CC(C)N1C[C@@H](C(=O)N[C@@H](C)Cc2cccc(Cl)c2)CC1=O 40108222 WOMDVRJCGCIDIQ-JSGCOSHPSA-N 322.836 2.644 0 40 DFAB CC(C)(C)c1noc(Cn2cccc(C(F)(F)F)c2=O)n1 31814943 UAFASABJDGPMDG-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB O=C(c1ccc(Cn2cncn2)cc1)N1CCc2sccc2C1 11290151 CRCVFBVUCAIRHS-UHFFFAOYSA-N 324.409 2.586 0 40 DFAB Cc1noc(CSc2nnc3ccc(C(F)(F)F)cn23)n1 28954734 LXSMHFXBHYOSBD-UHFFFAOYSA-N 315.280 2.732 0 40 DFAB CCC(C)(C)NCC(=O)Nc1cc2c(cc1Cl)OCCO2 29051948 SWYBXFQNPGQYPN-UHFFFAOYSA-N 312.797 2.828 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccs1 1977352 YQQGEOABWDMDLT-SNVBAGLBSA-N 305.355 2.941 0 40 DFAB CC(C)CNC(=O)NC(=O)CSc1ccc(Cl)cc1 3524480 NMIUATRIPVISTB-UHFFFAOYSA-N 300.811 2.914 0 40 DFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2C(=O)O 3863340 GGGLJXMPHPRWIQ-XOSAIJSUSA-N 313.397 2.996 0 40 DFAB COc1ccccc1OCCOc1ccc(C=O)cc1OC 4502101 CHPOJQADEAOEJZ-UHFFFAOYSA-N 302.326 2.974 0 40 DFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2C)c1 364026 IIQUWPGGLPISMA-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB Cc1nc(NC(=O)CSCC(=O)O)sc1-c1ccccc1 4932794 CCLULCZSEBMANY-UHFFFAOYSA-N 322.411 2.875 0 40 DFAB CCN(C(=O)COC(=O)c1ccccc1O)c1ccc(F)cc1 6086357 QVQLKWOYXDULCY-UHFFFAOYSA-N 317.316 2.741 0 40 DFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3ccccc3nc12 7011373 BKXBPGLODGHXIS-QFYYESIMSA-N 318.398 2.673 0 40 DFAB CCc1nnc(S/C(=C\c2cccc(OC)c2)C(=O)O)o1 7508344 LOAYCOBJBCNQMZ-FLIBITNWSA-N 306.343 2.858 0 40 DFAB COc1cccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c1OC 7603798 AIGGSLHJNUAEFQ-XFFZJAGNSA-N 322.342 2.613 0 40 DFAB CC(C)N(C)C(=O)CC1CCN(C(=O)Nc2nccs2)CC1 52460298 FSSFPOKWBFVQHZ-UHFFFAOYSA-N 324.450 2.644 0 40 DFAB CC1(C)NC(=O)N(CCCN2CCC[C@H]2c2ccccc2)C1=O 52431975 WBKZISGIBUMZHA-HNNXBMFYSA-N 315.417 2.544 0 40 DFAB COc1ccc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1 107742905 IXHQRAKIVMRCTJ-LPHOPBHVSA-N 322.408 2.790 0 40 DFAB CCOCCCNC(=O)c1sc(-c2ccccn2)nc1C 21900127 FQDORNBIWFGLLA-UHFFFAOYSA-N 305.403 2.670 0 40 DFAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1F 9993300 BGZLRVGXJNMJCW-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(F)cc1 12295118 ZAWZADDTYWZCBA-BZNIZROVSA-N 301.317 2.670 0 40 DFAB Cc1csc([C@@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)n1 110681569 FBKQBRYFUVFWLE-LPWJVIDDSA-N 307.419 2.522 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)N1CCC[C@@H]1Cc1ccccc1 42660078 GMWVCPRBURLNMJ-MRXNPFEDSA-N 316.445 2.773 0 40 DFAB Cc1nnc2n1C[C@@H](CNc1ccnc(-c3ccccc3)n1)CC2 69738438 UGAYCCXLTWHDMB-CQSZACIVSA-N 320.400 2.718 0 40 DFAB Cc1ccc([C@@H](NC(=O)CN2CCSC2=O)C2CC2)cc1 24869596 ZJOCCYSCSWMREU-OAHLLOKOSA-N 304.415 2.731 0 40 DFAB CCONC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 24968256 QDIIUOKJNVLGNH-MRXNPFEDSA-N 311.337 2.822 0 40 DFAB COc1cc(/C=C/C(=O)Nc2ccn(C)n2)ccc1OC(C)C 24929185 PCDQTMMAKHCGIS-SOFGYWHQSA-N 315.373 2.868 0 40 DFAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccsc1 24948606 BGMWTKNAGLRQFS-UHFFFAOYSA-N 302.399 2.662 0 40 DFAB O=C(Nc1ccncc1)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 103150810 GCFJNEQAGPMFLT-JDPPGYRCSA-N 323.400 2.607 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100123916 NGDJLVPDWHKCFX-JYYRGQEPSA-N 313.397 2.915 0 40 DFAB CCn1cnnc1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 47892919 SYCLWOZPPDRDFG-JTQLQIEISA-N 307.785 2.512 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC)cc2OC)c(OC)c1 1511876 RBUPDLBKCUEEPO-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB O=C1C[C@@H](C(=O)NC(C2CC2)C2CC2)c2ccc(F)cc2N1 25515060 HOHYLOWLEUHLNM-CYBMUJFWSA-N 302.349 2.556 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 44123871 YXHFEDZYPDNGAB-IUODEOHRSA-N 319.405 2.972 0 40 DFAB c1nc2n(n1)C[C@@H](NCc1csc(-c3ccsc3)n1)CC2 69493265 JARMKHAERZCRFU-NSHDSACASA-N 317.443 2.568 0 40 DFAB COc1ccc(CNC(=O)Nc2ccc(-n3cccn3)nc2)cc1 48140358 ZWMWCHKZODWZDR-UHFFFAOYSA-N 323.356 2.598 0 40 DFAB Fc1ccc(-c2ccc(CN[C@@H]3CCc4ncnn4C3)o2)cc1 69491660 NWYFFKPXNYIVOT-CQSZACIVSA-N 312.348 2.782 0 40 DFAB COc1ccccc1-c1nc(C(=O)NC2=NCCS2)cs1 58294528 SYMSZPTXYRZFIH-UHFFFAOYSA-N 319.411 2.651 0 40 DFAB Cc1cnc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2C)cn1 58227494 UNKINMZDAHZXEO-ZDUSSCGKSA-N 321.384 2.770 0 40 DFAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CC[C@H]2CCCC[C@@H]2C1 12752511 WSYJHQFTJZLGLQ-IUODEOHRSA-N 311.389 2.519 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccn1)c1cccs1 48237011 CPWLLNXBDLQKRK-RISCZKNCSA-N 317.414 2.588 0 40 DFAB COc1ccccc1/C=C/C(=O)OCC(=O)NC1CCCCC1 3422502 BSUHGIQKWFVGOE-VAWYXSNFSA-N 317.385 2.701 0 40 DFAB O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCc2ccccc2C1 13320515 DZBVURCIHOWYTG-YQEWQEHLSA-N 313.397 2.708 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2cc(C)cc(C)c2)CC1 69848756 IAJOJSLQHDDFKX-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB COc1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 69975225 HKCIEBABBHGGFH-QGZVFWFLSA-N 324.380 2.573 0 40 DFAB COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1cccnc1 8741381 SVTNUXVEOZVMSO-INIZCTEOSA-N 320.352 2.871 0 40 DFAB CC(=O)N1CCC(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 65503964 FSDQBHWDNFIKTC-AWEZNQCLSA-N 316.445 2.727 0 40 DFAB Cc1ccc(C(=O)Nc2nc(=O)n(C(=O)CC(C)C)s2)cc1 5540775 ABLZBMZBGIZMHU-UHFFFAOYSA-N 319.386 2.552 0 40 DFAB C[C@H]1Sc2ccc(C(=O)Nc3nccs3)cc2NC1=O 5574488 YVSQTMFZCNEYOQ-SSDOTTSWSA-N 305.384 2.828 0 40 DFAB CCn1c(NC(=O)Cc2ccon2)nc2cc(Cl)ccc21 92570442 HZWPOMJATFZFGD-UHFFFAOYSA-N 304.737 2.879 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Cl)nc2)[C@@H]1C 5839348 WALAIACBLRXHMO-NQBHXWOUSA-N 324.808 2.833 0 40 DFAB O=C(Nc1nc2ccccc2[nH]1)c1cc2ccccc2oc1=O 5942370 BVEJPVQPACCRTA-UHFFFAOYSA-N 305.293 2.922 0 40 DFAB Cc1cc(F)cc(C(=O)N(CCN(C)C)Cc2ccncc2)c1 80090036 AWHUEQXPIJOLAQ-UHFFFAOYSA-N 315.392 2.733 0 40 DFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1n[nH]c2ccccc12 7138832 OVNIQILDAUKUEQ-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB CCc1nc(CN(C)C(=O)c2ccc([S@@](C)=O)cc2)cs1 67833087 JIFUYDYTBLCIFF-NRFANRHFSA-N 322.455 2.715 0 40 DFAB C[C@H]1CN(C)C[C@H](C)N1C(=O)Cc1ccc2c(c1)CCCC2 89930208 PYTFEOVDNZNYQF-GJZGRUSLSA-N 300.446 2.659 0 40 DFAB CNC(=O)Cc1noc(-c2cc(C3CC3)nc3ccc(C)cc23)n1 96469580 YGHODWLWMLCRCM-UHFFFAOYSA-N 322.368 2.759 0 40 DFAB Cc1ncc(CNC[C@](C)(O)c2ccco2)n1-c1ccccc1 84048004 RLXBRTWTHUVVLO-SFHVURJKSA-N 311.385 2.771 0 40 DFAB Cc1nc(CC(=O)Nc2cc(F)ccc2-n2cccn2)cs1 71882792 NEDJPHLPYJHKHO-UHFFFAOYSA-N 316.361 2.958 0 40 DFAB CC(C)N(Cc1ccccn1)C(=O)c1cc2ccccc2c(=O)[nH]1 71821353 CBLNNRREKSQCHO-UHFFFAOYSA-N 321.380 2.974 0 40 DFAB COC(=O)CCC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 71882806 YTKWZJPBCMVSSH-NSHDSACASA-N 319.357 2.880 0 40 DFAB CC[C@H](C)[C@H](C)NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 75612774 PNWFNDPYKBMMKY-JYJNAYRXSA-N 318.465 2.904 0 40 DFAB CC[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1cnn(CC)c1 72305860 RACNIHFJRSLZDQ-NSHDSACASA-N 320.422 2.905 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@H]1c1noc(C2CC2)n1 84335011 XYCLEXWEWRGKKC-NSHDSACASA-N 306.753 2.906 0 40 DFAB CCOc1ccccc1C(=O)Oc1cc(=O)n2cccc(C)c2n1 72427446 MMXJPHQWZBKCIV-UHFFFAOYSA-N 324.336 2.621 0 40 DFAB Cc1c([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cnn1C 72404583 ZCQRKYQZLYLMOQ-LBPRGKRZSA-N 311.345 2.690 0 40 DFAB O=C(NNc1ncccn1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502101 IURKQMJLJKNCJP-GHMZBOCLSA-N 322.290 2.742 0 40 DFAB COc1cc(F)ccc1NC(=O)NC[C@](C)(O)c1ccsc1 84638419 BVEVZQBKRCJRKR-HNNXBMFYSA-N 324.377 2.925 0 40 DFAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cn2ccccc2n1 84638448 JJRBUSLEAFUBFA-ZDUSSCGKSA-N 318.421 2.679 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2CNc2nccn(C)c2=O)cc1 78678034 OFXLUIUMYRDIMP-HOTGVXAUSA-N 313.401 2.669 0 40 DFAB C[C@H]1CN(c2ccc(CNC[C@H]3CC=CCC3)cn2)CCO1 95433917 NKBDTTSRIDJNGP-HOTGVXAUSA-N 301.434 2.753 0 40 DFAB Cc1cc(C)n(CC(=O)N2c3ccccc3N(C)CC[C@@H]2C)n1 95401686 WXPDZEXDHXCJQJ-AWEZNQCLSA-N 312.417 2.762 0 40 DFAB C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426222 HSEZYTGWURCNJF-JKSUJKDBSA-N 323.481 2.652 0 40 DFAB COc1cccc([C@H](O)CN[C@@H](C)c2cnn(C(C)C)c2)c1 95422284 MCSNHCULQDWJOL-SUMWQHHRSA-N 303.406 2.857 0 40 DFAB CN(C[C@H]1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C 78934954 GOGSNOMQWRHVGO-CQSZACIVSA-N 308.422 2.811 0 40 DFAB C[C@H](CS(=O)(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 95971369 OQQTVWWRRZGPJY-RDBSUJKOSA-N 313.488 2.946 0 40 DFAB Cc1cccc(NC2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)n1 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CC[C@H](N[C@@H](C)c1nnnn1C1CCCCC1)[C@H]1CCCO1 189936577 NBPKDRXBNNCDJD-AEGPPILISA-N 307.442 2.787 0 40 DFAB CCOCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1 225626605 BTRFRHOJYANHAU-UHFFFAOYSA-N 307.390 3.000 0 40 DFAB COCCOCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84209411 ICZODUXDSNLDHJ-UHFFFAOYSA-N 318.200 2.541 0 40 DFAB CN1CC[C@H](NC(=O)Nc2ccncc2F)[C@H]1c1ccccc1 225564032 NFSDRVWGZOTNDH-JKSUJKDBSA-N 314.364 2.788 0 40 DFAB COc1ccccc1CCNC(=O)c1csc(NC(C)C)n1 40287873 QMGQRCSIJIDNSP-UHFFFAOYSA-N 319.430 2.945 0 40 DFAB Cc1csc(NC(=O)NCCn2c(C)nc3ccccc32)n1 43240626 SZIIGCPJOIOKRG-UHFFFAOYSA-N 315.402 2.931 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nccn1C 80114133 YECNCYLAMUGHKT-MEDUHNTESA-N 316.380 2.682 0 40 DFAB COc1cccc(C[C@@H](Oc2cccc(OC)c2)C(=O)O)c1 225099898 JFVFFHNOGHEXGI-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB COCc1nn(CCc2cc(Cl)cc(Cl)c2)c(=O)o1 194609987 LWHGPQUQIUANGU-UHFFFAOYSA-N 303.145 2.532 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCC[C@@H]2OCCC(C)C)cnn1C 89338162 HDCMWZDTOFCBMD-HOTGVXAUSA-N 307.438 2.832 0 40 DFAB O=C(CN1CCCCC1=O)Nc1ccc(OC2CCC2)c(F)c1 96450162 MRZXVKJVCVNHSD-UHFFFAOYSA-N 320.364 2.708 0 40 DFAB CSCC(=O)N[C@@H](C)Cc1ccccc1Br 96470447 QJBNWQVVKGRBGD-VIFPVBQESA-N 302.237 2.859 0 40 DFAB COc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1OC 95534149 NCKOEINNDVYWKY-MRXNPFEDSA-N 324.384 2.845 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2nc(COC)cs2)c1C 96435545 UFKUGYHYIHBBGR-UHFFFAOYSA-N 309.395 2.767 0 40 DFAB Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 96439317 RLSVRVMRULSGIV-BPUTZDHNSA-N 304.438 2.863 0 40 DFAB CN(CC(F)F)C(=O)c1cnc(OCC2CC2)c(Cl)c1 96501919 YABVPJMAEIERJO-UHFFFAOYSA-N 304.724 2.861 0 40 DFAB CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2nc(C)nn2c1 580013966 PLAPBPQAZJXMRB-QWHCGFSZSA-N 319.434 2.833 0 40 DFAB c1ccc(O[C@@H]2COC3(CCN(c4cnccn4)CC3)C2)cc1 96073203 MZZJWECUDWRVHI-INIZCTEOSA-N 311.385 2.684 0 40 DFAB COc1cccc(N(Cc2ccccc2C)S(C)(=O)=O)c1 148288702 YZEDAMHWCQAIJW-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB Cc1ncc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C)s1 96413552 CBLHJLRIVBPREJ-UHFFFAOYSA-N 323.805 2.668 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)c2cccnc2)cc1CO 95447814 WIWJQUCVZSITBN-GFCCVEGCSA-N 300.358 2.715 0 40 DFAB COc1ccc(N(C)C(=O)c2cc(N(C)C)ccn2)cc1F 97104054 JMZZXRBAWDADBL-UHFFFAOYSA-N 303.337 2.572 0 40 DFAB C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(CO)c1 96493955 PCIHNQRUNXMFNN-CJNGLKHVSA-N 320.433 2.839 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257216170 CTKWIPSMTRRMMN-HNNXBMFYSA-N 324.380 2.858 0 40 DFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](Cc2ccccn2)C1 257343869 ZUSFZNADUNFOMB-CQSZACIVSA-N 322.412 2.844 0 40 DFAB CSCCCN(C)C(=O)NCc1ccc(Br)o1 252496887 PTWXVLTWOKUPGB-UHFFFAOYSA-N 321.240 2.937 0 40 DFAB CCn1nccc1-c1cc(C[C@H]2CCCN(C(C)=O)C2)ccn1 257265375 LYKJBCBTVVQHTK-MRXNPFEDSA-N 312.417 2.766 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2scnc2C)nc(C)n1 257221523 DPKIWZHRZYCAJI-ZDUSSCGKSA-N 303.435 2.929 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)CCN3CCCC3)C2)s1 257310039 UDLINWGIJUACKC-AWEZNQCLSA-N 307.463 2.643 0 40 DFAB O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@H]1c1ccn[nH]1 285187128 IABWLKZPXDQWLR-QOKNQOGYSA-N 323.396 2.814 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C[C@H](C)O1 54847557 XLAILGDXAJFEAZ-RYUDHWBXSA-N 319.792 2.775 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@@H]1CCc3ccccc31)C2 72285651 UWLRVBAMDOXQCY-JKSUJKDBSA-N 309.413 2.743 0 40 DFAB Cc1ccc(C(=O)N(C)c2cnn(C)c2)c(Br)c1 97021446 NGMNVPSTORFRAS-UHFFFAOYSA-N 308.179 2.768 0 40 DFAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1c[nH]c2ccccc12 555233 SQUSOODTHXWMGM-ZROIWOOFSA-N 323.352 2.572 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N/C=C/c1ccccc1 1534690751 DHHWAUYTNPLDCG-YQNRRXMVSA-N 300.402 2.811 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cnnn2)cc1 5034661 QFLSWFYHVZPDCJ-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C(F)(F)F 5296312 RDKYZAYJTVWVKR-LLVKDONJSA-N 314.263 2.506 0 40 DFAB COCCC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1COc1ccc(F)cc1 12085379 XEOKGPFIMLQSNR-INWMFGNUSA-N 307.365 2.621 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12087136 DRFOVJDRAKUGIN-BMYCAMMWSA-N 313.397 2.961 0 40 DFAB O=C(O)CCCc1nc(-c2ccc(Br)cc2)no1 17087027 CEILSLWYFCDNGC-UHFFFAOYSA-N 311.135 2.906 0 40 DFAB CCn1cc(-c2cncn2CCn2nc(C)c(Cl)c2C)cn1 19719626 COPSBRQOROVUFD-UHFFFAOYSA-N 318.812 2.933 0 40 DFAB Cc1cc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nc(C)n1 390827554 ZDRKXBQOJKKAFU-OAHLLOKOSA-N 315.417 2.820 0 40 DFAB COCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694961 BYPFHLBUTSWERE-UHFFFAOYSA-N 316.382 2.536 0 40 DFAB Cc1cc2ncc(NC(=O)c3nc4ccccc4s3)cn2n1 206737093 BHJCWPSBFQQXOC-UHFFFAOYSA-N 309.354 2.900 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 31390037 JTEYIYVBERKSQQ-NEPJUHHUSA-N 303.431 2.888 0 40 DFAB COc1ccc2nc(NC(=O)c3cc(N)cc(N)c3)sc2c1 96476 NXDMBDJRLDPGFR-UHFFFAOYSA-N 314.370 2.722 0 40 DFAB CCc1nnsc1C(=O)NC[C@H]1CCCc2ccccc21 29109194 MUMUJPLEZUJBJG-GFCCVEGCSA-N 301.415 2.950 0 40 DFAB O=C1C[C@H](N2C[C@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(F)cc1 101122835 UMVFUVFZVDCMSH-IOASZLSFSA-N 316.376 2.580 0 40 DFAB O=C(CNCCc1ccc(F)cc1)Nc1cc(F)ccc1F 3289399 GGULDQMEGRDZJF-UHFFFAOYSA-N 308.303 2.875 0 40 DFAB Cc1[nH]c2ccc(C(=O)NCCCN3CCCC3=O)cc2c1C 3372544 LEVTZTFNOLNUOH-UHFFFAOYSA-N 313.401 2.527 0 40 DFAB O=C(/C=C/c1ccnc(Cl)c1)OCC(=O)N1CCCCCC1 89884773 XVZQANWVZHTOAU-AATRIKPKSA-N 322.792 2.694 0 40 DFAB C[C@@H](COc1ccccc1)N[C@H](C)[C@H](O)c1ccc(O)cc1 3830971 BMUKKTUHUDJSNZ-IYOUNJFTSA-N 301.386 2.871 0 40 DFAB in-man O=C(COc1nnc2ccccn12)Nc1cccc2ccccc12 2626323 OIDBKAFJBMYDDM-UHFFFAOYSA-N 318.336 2.900 0 40 DFAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccnc2)c1 309145 UOFHLAGBKBBFMM-UHFFFAOYSA-N 315.398 2.996 0 40 DFAB Cc1ccc(-c2cc(C(=O)NCCO)c3ccccc3n2)cc1 2630248 SWWOSKDWZZXTEZ-UHFFFAOYSA-N 306.365 2.932 0 40 DFAB Cc1cccc(C(=O)N2CCCN(Cc3cscn3)CC2)c1 32770157 BREJESTVVDBVAA-UHFFFAOYSA-N 315.442 2.800 0 40 DFAB COc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2)C1=O 101275826 YININQDYALDUBJ-AWEZNQCLSA-N 310.353 2.748 0 40 DFAB O=C(CN1CCc2sccc2C1)Nc1nc2c(s1)CCC2 52432988 KMGFBUPQVCAMDQ-UHFFFAOYSA-N 319.455 2.690 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1(C)C 32850731 XZMDYTPKBGPKEY-ZIAGYGMSSA-N 312.369 2.747 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)NCCCn1ccnc1 32998224 ZHYJPAGPPQNPIA-UHFFFAOYSA-N 322.412 2.797 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1nnc2n1CCCCC2 29894012 PUFNJUGYNQWTOC-SECBINFHSA-N 308.769 2.742 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CSc1ncnc2ccccc12 32910325 HCKQHKSXSFBXJQ-UHFFFAOYSA-N 313.386 2.701 0 40 DFAB CCCOc1ccccc1NS(=O)(=O)c1c(C)noc1C 9116275 QHZIURJQLOIWIU-UHFFFAOYSA-N 310.375 2.881 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCOCC1 21822459 HYBOFASAIXNGLC-KRWDZBQOSA-N 314.360 2.838 0 40 DFAB COC(=O)c1sccc1NC(=O)COc1ccccc1C 9638645 YCWSHRYKHXDBSV-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB Cc1csc(NC(=O)CN2CCC(OCC(C)C)CC2)n1 54327575 JWFUVOBYJLYECI-UHFFFAOYSA-N 311.451 2.527 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 23387906 SHIRGSXDGQCUHM-NEPJUHHUSA-N 317.355 2.817 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100395165 MJSCFQBYOZURHK-ZJMHZOEWSA-N 322.408 2.672 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 47911672 IQLUDVKGEGPVER-CQSZACIVSA-N 320.408 2.522 0 40 DFAB Cc1ccc(NC(=O)CCNc2ncnc3sccc23)nc1 58139057 LBTMXDNEFXPEGK-UHFFFAOYSA-N 313.386 2.835 0 40 DFAB C/C=C/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 58246174 UOGQIPSRMHJZKM-KOSVXUHRSA-N 313.401 2.699 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccn(C2CCCC2)n1 28577023 PQGRKPKREAQWED-UHFFFAOYSA-N 313.357 2.657 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)Oc1ccc2c(c1)OCO2 3279848 SHKXDSCCARPGBR-QHHAFSJGSA-N 312.277 2.763 0 40 DFAB COCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 36617676 DOLGHNXODORYRC-UHFFFAOYSA-N 302.355 2.933 0 40 DFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)c2ccccc2)C1=O 12889862 MEWFQKZNPZNETG-AWEZNQCLSA-N 324.380 2.854 0 40 DFAB Cc1cc(=O)n2nc(N[C@H](C)CCc3ccccc3)sc2n1 12888688 UWIYWZXQEVFQSF-LLVKDONJSA-N 314.414 2.893 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)cc1O 3494709 PTVOEFHYIYDRHG-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB Cc1nc(CN2CCCN(C(=O)C[C@H]3C=CCC3)CC2)cs1 69770046 XFSHIKIIOMSLJM-HNNXBMFYSA-N 319.474 2.842 0 40 DFAB CCCNC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 13020553 VTZFZUCFSBGORY-UHFFFAOYSA-N 314.414 2.989 0 40 DFAB O=C(NCc1ccccc1)[C@H](Sc1ncn[nH]1)c1ccccc1 8328949 BQODOKDXVQAEOJ-OAHLLOKOSA-N 324.409 2.955 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1ncc(C)s1)c1ccccc1 8326944 CMMZYZZJZGHJKK-ZDUSSCGKSA-N 303.387 2.658 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)NCCc1ccccc1F 25368444 YABMTIDXFZIESP-UHFFFAOYSA-N 311.353 2.627 0 40 DFAB O=C(NCCOc1ccccc1F)N1CCc2ccccc2C1 17119213 OQZVSJACIDFOAB-UHFFFAOYSA-N 314.360 2.972 0 40 DFAB O=C(CNc1cc(CO)ccc1Cl)NCc1ccccc1 69570429 UBLLLDVBEIXVQA-UHFFFAOYSA-N 304.777 2.561 0 40 DFAB Cc1ccc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 69598846 UXRGXKVGNPCSKY-CQSZACIVSA-N 316.405 2.603 0 40 DFAB CCCC(C)(C)NC(=O)c1nnn(-c2ccc(OC)cc2)c1C 65404097 QOFQACWXVJHNRX-UHFFFAOYSA-N 316.405 2.893 0 40 DFAB C[C@@H]1CCc2c(C(=O)NCCCn3ccnc3)csc2C1 65415408 OFJXDQYEZJVKEP-GFCCVEGCSA-N 303.431 2.890 0 40 DFAB COc1ccc2[nH]c(Sc3ncccc3C(=O)O)nc2c1 8717071 QOJAYEUBVMLYPV-UHFFFAOYSA-N 301.327 2.816 0 40 DFAB Cn1nncc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 93530050 HDILULZSTWIFHP-CQSZACIVSA-N 308.838 2.759 0 40 DFAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccccc12 19703430 BVTYYZQREOKDJA-WYRIXSBYSA-N 303.365 2.898 0 40 DFAB biogenic C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](c2ccccc2)CO1 89930150 XYRTWGZTCYRCJJ-WBMJQRKESA-N 311.385 2.501 0 40 DFAB CC(=O)Nc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1 93863954 JSZNVVOIEKEYOO-KRWDZBQOSA-N 312.417 2.888 0 40 DFAB C/C(=C\C(=O)NCc1nncn1C)c1ccc(C(F)(F)F)cc1 96314805 AAKDSOYHFBRVBJ-JXMROGBWSA-N 324.306 2.554 0 40 DFAB C[C@@H](NC(=O)CC1CCOCC1)c1cccc(-n2cccn2)c1 96443813 YVUXLFYDHRLJSV-CQSZACIVSA-N 313.401 2.866 0 40 DFAB COc1ccc(C)cc1NC(=O)N1CCC(C2OCCO2)CC1 71862792 CXVXYHYTVMCSHT-UHFFFAOYSA-N 320.389 2.620 0 40 DFAB Cc1ccc(OCCCC(=O)N[C@H]2CCC[C@@H]2CO)cc1C 84180737 IYUHNRBDVCJKII-WBVHZDCISA-N 305.418 2.740 0 40 DFAB CSc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccn1 97067606 SOFXGFGSLCMHNC-UHFFFAOYSA-N 313.382 2.941 0 40 DFAB CC[C@@H](NCc1csc(NC(C)=O)n1)c1c(C)noc1C 97111124 GWRRIMVEVOHLAI-GFCCVEGCSA-N 308.407 2.947 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)C1 97107919 HZUBVICXMRBIBD-YSVLISHTSA-N 302.418 2.866 0 40 DFAB Cc1ccc(NC[C@H]2CCN(Cc3c(C)noc3C)C2)nc1 97200760 DTTGEWRUMCWUIS-OAHLLOKOSA-N 300.406 2.929 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccsc1 76042826 CBTHIQGCKUZDIR-ZBFHGGJFSA-N 305.447 2.966 0 40 DFAB NC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1 95393163 IOWMRCWKCNXBMA-MSOLQXFVSA-N 322.408 2.667 0 40 DFAB COc1ccc(CNC[C@@H]2CCO[C@H](C)C2)c(OC)c1OC 95457711 GQWRTRONYIBVOA-CHWSQXEVSA-N 309.406 2.617 0 40 DFAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@@H]1C[C@@H]1c1ccccc1 95444866 NHCVQMYHATUTQG-QZTJIDSGSA-N 318.380 2.895 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CC[C@]2(CCOC2)C1 95410587 YKIULWAHHNLKIO-UNEWFSDZSA-N 322.355 2.643 0 40 DFAB C[C@@H](OC1CCCCCC1)C(=O)NCCCNc1ncccn1 95414982 IQANKVIRPCQKPR-CQSZACIVSA-N 320.437 2.523 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cnn(Cc2ccccc2)c1 95954062 SPRATIIPEAQYCU-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB O=C(c1cccc(-c2ncn[nH]2)c1)N1CCCc2cccc(O)c21 95995356 UWASPGUSQYLSHQ-UHFFFAOYSA-N 320.352 2.770 0 40 DFAB O=C(Cn1cnc2c1CCCC2)Nc1cc(Cl)ccc1O 95992992 MNGHIXKONKHSNY-UHFFFAOYSA-N 305.765 2.760 0 40 DFAB O=C(CCc1nc(C2CCCC2)no1)N1CCc2cnccc21 95966540 ZYLOCESFUCLUNO-UHFFFAOYSA-N 312.373 2.644 0 40 DFAB COc1ccccc1C(=O)CNC(=O)c1cccc2cc[nH]c12 95977252 NZEVWVOIRAHTOM-UHFFFAOYSA-N 308.337 2.789 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1ccnc(OC2CCC2)c1 89571616 JZYJGZQXSPOEMA-UHFFFAOYSA-N 322.368 2.819 0 40 DFAB CCCCc1ccc(N2C[C@H](C(=O)NC(C)C)CC2=O)cc1 35655445 XEYKXSWREHPVEM-OAHLLOKOSA-N 302.418 2.907 0 40 DFAB Cc1ccn2c(NC(=O)CO[C@H]3CCCC[C@@H]3C)nnc2c1 121913928 RVXXPPUMOOMPKX-STQMWFEESA-N 302.378 2.572 0 40 DFAB CCNC(=O)c1ccccc1NC(=O)c1c(F)cccc1F 408615580 QWDIRLXUCFFHGI-UHFFFAOYSA-N 304.296 2.967 0 40 DFAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 33632419 PCANCILUSPOPEK-UHFFFAOYSA-N 311.384 2.692 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(F)cc2F)c1 72331144 GAGYSELXUNVNPD-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB O=C(CCN1CCc2ccccc21)Nc1ccc2c(c1)OCCO2 32843099 LOBOHYNRDDEODN-UHFFFAOYSA-N 324.380 2.849 0 40 DFAB CC[C@@H]1C(=O)O[C@H]2OC(c3ccccc3)(c3ccccc3)N[C@H]12 31672089 INOKXHPHRRQOTE-JZXOWHBKSA-N 309.365 2.785 0 40 DFAB COC(=O)[C@@H]1C[C@H]1C(=O)NC(c1cccs1)c1cccs1 78188898 GHXDTAAMIPKTTC-NXEZZACHSA-N 321.423 2.824 0 40 DFAB CCCc1nnc(NC(=O)N[C@@H](C)c2c(C)noc2C)s1 73176877 XYEHJXDVNBYRPV-ZETCQYMHSA-N 309.395 2.978 0 40 DFAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cccnc1 72368774 NABPMRIIDQNGRV-ZDUSSCGKSA-N 308.428 2.841 0 40 DFAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cccs1 32647545 BFPTXMRKHGMRAY-UHFFFAOYSA-N 302.334 2.779 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 45954079 MFBFGVVJDBSJPM-AWEZNQCLSA-N 316.401 2.593 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1 224110977 UHWQCQNGSGTFBK-OAHLLOKOSA-N 316.445 2.915 0 40 DFAB Cc1cnc(C2CCN(C(=O)N[C@@H]3COCC3(C)C)CC2)s1 569311538 OBVKJRSBQLPGIP-CYBMUJFWSA-N 323.462 2.766 0 40 DFAB COc1cc(OC)cc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)c1 40309945 RHYBEWUZABJLQT-IEBWSBKVSA-N 324.380 2.628 0 40 DFAB biogenic O=C1CCNc2c(I)cc(Cl)cc21 199338760 UQTZURNEMPTCLU-UHFFFAOYSA-N 307.518 2.943 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@@H]2C)n1 225884135 VRUPTZPUWHBNFC-VIFPVBQESA-N 313.858 2.815 0 40 DFAB CC(C)N1CCO[C@@H](COc2ccc(Br)cc2)C1 80746669 NWRUVGCREHPQNN-CQSZACIVSA-N 314.223 2.937 0 40 DFAB O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccon1 91153436 SYWIHUNXAMVGDD-AAEUAGOBSA-N 310.712 2.727 0 40 DFAB COc1cnc(NC(=O)C[C@H](C)c2ccccc2OC)nc1 583942413 CURHWTKMEWEEPP-NSHDSACASA-N 301.346 2.626 0 40 DFAB Cn1nnc(-c2cccc(NC(=O)c3cccc4[nH]ccc34)c2)n1 95478869 CQPOVBDHYUDRGC-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB COc1cc(CNC(=O)[C@@H]2SCCc3sccc32)ccn1 96430516 NYQACFIQYQLVES-CQSZACIVSA-N 320.439 2.799 0 40 DFAB O=C(Cn1cc(C2CC2)nn1)N(C1CC1)[C@H]1CCc2ccccc21 96471889 AJGSGSFZFCSTAO-SFHVURJKSA-N 322.412 2.834 0 40 DFAB CO[C@@H]1CCN(C(=O)c2ccncc2F)[C@H]1Cc1ccccc1 96200064 VWJYRENCSIHUER-DLBZAZTESA-N 314.360 2.693 0 40 DFAB COc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(C3CC3)CC2)c1 96404626 XBSMXVITSIUNLO-ZWKOTPCHSA-N 314.429 2.542 0 40 DFAB CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108598 YZSYIMQNKYOCIP-RCCFBDPRSA-N 316.401 2.594 0 40 DFAB O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCOC1 97372094 XRWVYZKMRJWNBQ-RDDDGLTNSA-N 309.234 2.721 0 40 DFAB COC(=O)C1(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 97380173 GCVYKPAXADQHKZ-UHFFFAOYSA-N 302.355 2.702 0 40 DFAB CSc1ccsc1C(=O)NCCCCn1ccccc1=O 75134314 KDGRLZPZMHFCIB-UHFFFAOYSA-N 322.455 2.842 0 40 DFAB C[C@](O)(CNC(=O)C/C=C/c1cccc(F)c1)c1ccco1 81835533 GMKVUGMYWLEVCR-ZVVFDCPKSA-N 303.333 2.846 0 40 DFAB O=C(O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 13266102 OCPQQLOCANPJGH-UHFFFAOYSA-N 305.305 2.905 0 40 DFAB Cc1ccccc1C(=O)Nc1nn2c(C(C)C)nnc2s1 15674533 ZMPLSNISWGZZLO-UHFFFAOYSA-N 301.375 2.870 0 40 DFAB O=C(c1cccnc1)N1CCN(CC2(c3ccccc3)CC2)CC1 19369724 JDXVUCXQIUENGF-UHFFFAOYSA-N 321.424 2.571 0 40 DFAB Sc1ncnc2c1cnn2-c1cccc(Br)c1 19723930 WRIJIFZYLUSQNB-UHFFFAOYSA-N 307.176 2.867 0 40 DFAB CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 200170728 GIEOQUMTCPGGBN-UHFFFAOYSA-N 310.586 2.816 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C[C@@H](C)O1 226301047 FHPYEFODRWTCTD-TXEJJXNPSA-N 300.358 2.778 0 40 DFAB CN(C(=O)NCc1noc(-c2ccccc2)n1)C1CCCC1 519693855 IXABAFMIOHFMND-UHFFFAOYSA-N 300.362 2.821 0 40 DFAB Cc1nnc2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn12 1888890341 JHEPSAATWGTMIU-UHFFFAOYSA-N 322.155 2.992 0 40 DFAB C[C@@H](OC(=O)/C=C/c1cnn(C)c1)C(=O)c1ccc2c(c1)CCC2 21435720 SPVPGKBOABHGRN-YSKGHYERSA-N 324.380 2.737 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](Oc2ccccn2)C1 238902649 RPYDRXCVOAYYDG-OAHLLOKOSA-N 316.788 2.957 0 40 DFAB O=C(Cn1c(-c2nnco2)cc2ccccc21)NC1CCCC1 13961917 HSFNABDUXJMAAV-UHFFFAOYSA-N 310.357 2.750 0 40 DFAB Cc1cc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)c(C)o1 575616353 LTYQONSHIDYGDS-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 40058217 NVXZMQLLEHEFFM-OAGGEKHMSA-N 324.490 2.820 0 40 DFAB CC[C@H](C(=O)OC(C)C)n1cnc2sc(C)c(C)c2c1=O 144640 BVYREKZOYKQACN-LLVKDONJSA-N 308.403 2.978 0 40 DFAB Nc1nc(Cl)cc(NCc2cnn(Cc3ccccc3)c2)n1 40555506 LEYKWRAKDDGOTM-UHFFFAOYSA-N 314.780 2.569 0 40 DFAB O=c1c(Cl)c(NC[C@@H]2CCCO2)cnn1Cc1ccccc1 126675 VTBWGEWWEIJYNQ-ZDUSSCGKSA-N 319.792 2.536 0 40 DFAB CCCCCCc1ccc(OCC(=O)O)cc1OCC(=O)O 2116249 OVUFMPMEHVAGDU-UHFFFAOYSA-N 310.346 2.736 0 40 DFAB biogenic CCC(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 6202868 QERNUTMVKGDFMW-UHFFFAOYSA-N 304.371 2.662 0 40 DFAB Cc1cnccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108816358 WSPAMNDYPBQNTB-MRXNPFEDSA-N 323.396 2.881 0 40 DFAB O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1Cl 8377180 MJNXOCKCCAWZEG-MNOVXSKESA-N 324.229 2.575 0 40 DFAB CC(=O)c1ccc(C(=O)OCC(=O)N[C@H](C)c2ccco2)s1 32776879 PVYPAHDRCOOYOE-SECBINFHSA-N 321.354 2.578 0 40 DFAB NC(=O)c1ccc(NC(=O)c2sccc2-n2cccc2)cc1 32895466 XOMNATOWJFVLBI-UHFFFAOYSA-N 311.366 2.890 0 40 DFAB CC(C)(C)C(=O)Cn1cnc2sc3c(c2c1=O)CCSC3 32850516 QAFLAWQHAPOVJD-UHFFFAOYSA-N 322.455 2.863 0 40 DFAB CCOC(=O)N[C@@H](C(=O)NCc1ccccc1Cl)C(C)C 32911648 MHBHICYRADJDSL-CYBMUJFWSA-N 312.797 2.727 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 22145774 RIFUGEVYTBABST-WDMOLILDSA-N 302.340 2.814 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 514999 IRTJEXFSCKKESP-UHFFFAOYSA-N 309.413 2.999 0 40 DFAB Cc1ccc(OCC(=O)NCC(F)(F)F)c2c1[C@H](C)CC2=O 22134753 HQKYBXWSNONGPG-SECBINFHSA-N 315.291 2.742 0 40 DFAB O=C(Nc1nnc(CCN2CCCCC2)s1)c1ccccc1 12375928 UXFPQANRYVPNMT-UHFFFAOYSA-N 316.430 2.819 0 40 DFAB O=C(c1nc(-c2ccc(C(F)(F)F)cc2)no1)N1CCCC1 12409972 QNMFUPXBPPDALI-UHFFFAOYSA-N 311.263 2.991 0 40 DFAB CCc1cccc2c(C(=O)COC(=O)[C@@H]3CCCO3)c[nH]c12 22709674 MLWKVQQYFDBXMB-HNNXBMFYSA-N 301.342 2.635 0 40 DFAB Cc1ccc2c(CCNc3ccc4nnc(C)n4n3)c[nH]c2c1 68696237 YRKTYMYVRSMAJC-UHFFFAOYSA-N 306.373 2.877 0 40 DFAB CC[C@H](NC(=O)Cn1cccn1)C12CC3CC(CC(C3)C1)C2 58403047 ATTWNKXTXUJOOG-KUNBBXKYSA-N 301.434 2.994 0 40 DFAB O=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)c2ccccc21 23701753 UAIYGPVTECWQMT-UHFFFAOYSA-N 318.376 2.963 0 40 DFAB O=C(Nc1ccccc1O)c1nc(N2CCCC2)ncc1Cl 42767297 TXSFUPGRTHWTFA-UHFFFAOYSA-N 318.764 2.688 0 40 DFAB c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1 24014455 RUPHMLIFGYITJS-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB COC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C 34294334 UGNNHGCEWJCUAY-LBPRGKRZSA-N 313.781 2.949 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@@H](O)COCc2cccs2)on1 106108419 YJLFZWASONGDNO-UKRRQHHQSA-N 322.430 2.759 0 40 DFAB O=C(COC(=O)CCCc1cccs1)NCc1ccco1 3219199 QOEVNODLYVRMAZ-UHFFFAOYSA-N 307.371 2.523 0 40 DFAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cnccn1 56348475 MNUJDHHEECRWSD-ZDUSSCGKSA-N 313.357 2.677 0 40 DFAB Cc1cc(C)n(C(=O)CCCCC(=O)n2nc(C)cc2C)n1 3209604 PVQVHVOFNNSYPT-UHFFFAOYSA-N 302.378 2.854 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(=O)n(C)c1 89930106 GQTLBYYUEBWLBR-DIFFPNOSSA-N 314.360 2.578 0 40 DFAB COC(=O)c1cn(-c2ccccc2)nc1C(=O)c1ccccc1 3277756 XACHCEJJKHFJJL-UHFFFAOYSA-N 306.321 2.890 0 40 DFAB CCCC1(CNC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CC1 89949878 BKCJGRWOHRNMHI-ZDUSSCGKSA-N 315.417 2.992 0 40 DFAB O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCC[C@@H](C(=O)O)C1 108657152 HCFFJDQOJNZFRB-WDEREUQCSA-N 313.756 2.986 0 40 DFAB Cc1nc(COc2ccc(C(=O)NC3CCCC3)cc2)no1 44894241 ZDIAHPKKDYCTAS-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1 58224171 PQJWXWJRSUQQLF-LBPRGKRZSA-N 307.300 2.593 0 40 DFAB CC(C)(C)CC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58246578 QGKJWOKVDOLFQF-INIZCTEOSA-N 322.424 2.751 0 40 DFAB O=C(NCc1ccc(Cl)s1)N[C@@H]1CCN2CCCC[C@H]12 44971205 XDZATMPGDRCZGL-VXGBXAGGSA-N 313.854 2.828 0 40 DFAB COC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(F)cc1 44980157 ROEOBCLPFXPFGX-HIFRSBDPSA-N 305.349 2.902 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)N3CCO[C@H](C)C3)on2)cc1 44971521 OFAWMAIPUJPJBT-CYBMUJFWSA-N 315.373 2.580 0 40 DFAB O=S(=O)(Nc1cccc2c[nH]nc12)c1cccc2ncccc12 58342475 XLVQZMLHDCDWNW-UHFFFAOYSA-N 324.365 2.912 0 40 DFAB CN(C(=O)Cc1csc(NC(=O)C2CC2)n1)c1ccccc1 28265812 GLCARFGDIPYQAQ-UHFFFAOYSA-N 315.398 2.697 0 40 DFAB CCOc1ncccc1NC(=O)N(C)Cc1c(C)noc1C 48206964 JZQLSKWBIKODJB-UHFFFAOYSA-N 304.350 2.749 0 40 DFAB O[C@H](CN1CCC(c2cc3ccccc3[nH]2)CC1)Cn1cccn1 62367096 FQRXOIWTVULGHO-QGZVFWFLSA-N 324.428 2.605 0 40 DFAB CCc1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 12995377 YTTIPGZKRYZFCF-UHFFFAOYSA-N 313.382 2.659 0 40 DFAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCC2=O)cc1 13037790 YYABIPIKGCWYSK-UHFFFAOYSA-N 320.352 2.942 0 40 DFAB CCN(CC(F)(F)F)C(=O)C1=NO[C@@H](c2ccccc2)C1 64784592 DYWUNEHMOFSPEG-GFCCVEGCSA-N 300.280 2.915 0 40 DFAB C[C@H](NC(=O)c1cccs1)c1ccc2c(c1)NC(=O)CO2 65399430 DFAMQASHQLXAAY-VIFPVBQESA-N 302.355 2.570 0 40 DFAB Cc1noc(CCCC(=O)N(CC(C)C)CC(F)(F)F)n1 65541928 REXGWDQIWNBHAS-UHFFFAOYSA-N 307.316 2.748 0 40 DFAB CCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 14122699 JZHMKIUDMVVKGW-UHFFFAOYSA-N 303.383 2.905 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)s1 6502344 OCZRICDNZZHHOJ-UHFFFAOYSA-N 305.812 2.553 0 40 DFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)C1(c2ccccc2)CC1 69518647 DAPMXOASXKLURO-MRXNPFEDSA-N 317.335 2.846 0 40 DFAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4815613 LJORFYNVUGLVAC-GOSISDBHSA-N 320.348 2.886 0 40 DFAB COc1cccc(CN(C)Cn2nc(C(C)(C)C)ccc2=O)c1 66792052 LDZNRLKIAKKVMW-UHFFFAOYSA-N 315.417 2.639 0 40 DFAB Clc1ccc(-c2cc3c(N4CCOCC4)nccn3n2)cc1 67284770 LZURPPSKOCFSSP-UHFFFAOYSA-N 314.776 2.886 0 40 DFAB O=C(OC1CCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 70738347 BLPBIVVCRZMTSQ-OAHLLOKOSA-N 301.386 2.563 0 40 DFAB O=C(COc1ccccc1)NCCOc1ccc(Cl)cc1 7269983 PGQSKMYQUZHIDP-UHFFFAOYSA-N 305.761 2.914 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 96010993 NAMQKXYLEOSDAS-ABFRBSLYSA-N 324.465 2.669 0 40 DFAB Cc1cc(C(=O)NC2CCC(O)CC2)c(C)n1-c1cccnc1 84081418 NJECFCAIKICWHY-UHFFFAOYSA-N 313.401 2.522 0 40 DFAB Cc1nc(NC(=O)NCCN2c3ccccc3C[C@@H]2C)oc1C 84061627 JVYPCOMSWDDBTH-NSHDSACASA-N 314.389 2.864 0 40 DFAB Cc1cnc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)cn1 76089888 NUKGIZOYGVMQEI-SFHVURJKSA-N 310.445 2.739 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cn1 71796764 XTLRPFNWJSPCIV-HNNXBMFYSA-N 314.389 2.580 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CSc3ccccc32)no1 76043667 WHNZHGYNBGLCLG-QWHCGFSZSA-N 315.398 2.931 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 76041099 ORYWZOBBINBCJN-NVXWUHKLSA-N 300.402 2.727 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)C2CCOCC2)C1 71915771 PNUOPAGRTXGNER-HUUCEWRRSA-N 323.458 2.682 0 40 DFAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1Cc2ccccc21 97049231 QMJVGMRNROHARR-ZOBUZTSGSA-N 302.418 2.519 0 40 DFAB Cc1ccn2cc(CNc3ncncc3Br)nc2c1 84250803 WIYYCRYKQPSMIN-UHFFFAOYSA-N 318.178 2.807 0 40 DFAB c1ccc(Cn2cc(CNCc3cnc4ccccn34)cn2)cc1 97159112 YJOFQWQAJNYPPU-UHFFFAOYSA-N 317.396 2.869 0 40 DFAB CN1CCC(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 97141400 PBAGXIMNCOEVMR-LBPRGKRZSA-N 307.360 2.501 0 40 DFAB C[C@H]1OCC[C@H]1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165970 LTRFMZZPMXFZLI-NVXWUHKLSA-N 316.445 2.582 0 40 DFAB O=C(OCc1ccoc1)C1CCN(C(=O)c2ccccc2)CC1 76872775 DONWOLJTQMXIEE-UHFFFAOYSA-N 313.353 2.875 0 40 DFAB CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccnc1 78556695 MXLOCDLMOIBQMF-GFCCVEGCSA-N 308.407 2.686 0 40 DFAB Cn1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1=O 84321586 ZBBVERDWFOSAPV-UHFFFAOYSA-N 305.337 2.700 0 40 DFAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 72400595 SXQFDORXGHWNAY-GFCCVEGCSA-N 323.352 2.748 0 40 DFAB NC(=O)[C@H]1CCCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)C1 84598194 HAQULHUZYKAJLD-ZDUSSCGKSA-N 321.380 2.659 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N2CCOC3(CCC3)C2)c1 95452023 IGMIIHZKEUHNBS-UHFFFAOYSA-N 317.433 2.971 0 40 DFAB Cc1nncn1-c1cccc(NC(=O)Cc2ccc(F)cc2)c1 95446981 OUMMYVSKPSJXFK-UHFFFAOYSA-N 310.332 2.896 0 40 DFAB O=C([C@H]1CCCOC1)N1CC[C@H](OCCCc2ccccc2)C1 95408991 KNEYYHUMMWLKPR-ROUUACIJSA-N 317.429 2.663 0 40 DFAB CCN(C(=O)c1cc(F)cc(Br)c1)c1ncc[nH]1 95430229 NGIKWBDVNNRKSC-UHFFFAOYSA-N 312.142 2.978 0 40 DFAB COc1ccc(CNC[C@@H]2CCO[C@@H](C)C2)c(OC)c1OC 95457712 GQWRTRONYIBVOA-QWHCGFSZSA-N 309.406 2.617 0 40 DFAB Cc1ccc2cc(C(=O)NC[C@H](C)Cn3cccn3)ccc2n1 95972311 HZPLYGKIOQXCTE-ZDUSSCGKSA-N 308.385 2.806 0 40 DFAB C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1COCCO1 75091956 GUPQIIZJHHPVCO-HUBLWGQQSA-N 311.809 2.706 0 40 DFAB CC(C)C[C@](C)(NC(=O)CCc1ccc(Cl)s1)C(N)=O 75136785 KXVXZNFABIOQOK-AWEZNQCLSA-N 316.854 2.740 0 40 DFAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)[nH]1 75119077 FXHRVHXZGJUEFJ-UHFFFAOYSA-N 310.397 2.925 0 40 DFAB Cc1nc(NC(=O)NCc2nc3cccc(C)c3n2C)oc1C 89689007 OOKDMLIEOWFEHU-UHFFFAOYSA-N 313.361 2.808 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)N1CCOC[C@@H]1C1CC1 89686262 COWXQDGDKUDUAP-GFCCVEGCSA-N 307.419 2.665 0 40 DFAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1F 30287669 QCYLINXUBKRYPL-UHFFFAOYSA-N 321.373 2.581 0 40 DFAB CC[C@@H](NC(=O)c1cccc(N(C)C)c1)c1c(C)nn(C)c1C 75196244 IRODZKZRUVVISU-MRXNPFEDSA-N 314.433 2.984 0 40 DFAB COc1ccc(C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 38790859 SWWPEEFPFPRIQZ-UHFFFAOYSA-N 320.348 2.802 0 40 DFAB Fc1ccc(CNc2cncc(CC[C@@H]3CCCN3)n2)cc1 72364769 YBVIMGVJYUSRAX-HNNXBMFYSA-N 300.381 2.912 0 40 DFAB CN1CCCN(Cc2noc(C3CC3)n2)c2cc(F)ccc21 77360177 TXRHSVXGHXRKLW-UHFFFAOYSA-N 302.353 2.933 0 40 DFAB COc1ccc2cc(NC(=O)[C@@H](C)n3nccc3C)cnc2c1 72247524 FMEQKEMSPKKFBN-GFCCVEGCSA-N 310.357 2.948 0 40 DFAB CC(C)Cc1noc(C2CCN(C(=O)c3ccco3)CC2)n1 41123119 LOALLPYSLFBTMG-UHFFFAOYSA-N 303.362 2.881 0 40 DFAB COc1cccc2c1N(C(=O)[C@@H]1Cc3ccccc3O1)CCC2 48374841 QFDODRBUFZRHIQ-KRWDZBQOSA-N 309.365 2.978 0 40 DFAB Cc1cc([C@@H](C)NC[C@]2(O)CCOC2)ccc1Br 225561668 ZOIDKQZSSVTBBK-BXUZGUMPSA-N 314.223 2.560 0 40 DFAB CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 225871279 VOYMPVBPZRYHKY-VBKFSLOCSA-N 312.369 2.885 0 40 DFAB COc1ccc(C(=O)c2ccccc2OC(C)=O)c(OC)c1 43209814 YERZALYPJSHKBR-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB Cn1nccc1C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 191978586 GZGWSRXXWYHJAM-GOSISDBHSA-N 324.428 2.553 0 40 DFAB O=C(Cc1cccs1)N(CC(F)(F)F)[C@@H]1CCCOC1 87389878 JMUPBMDMORKIHJ-SNVBAGLBSA-N 307.337 2.861 0 40 DFAB CC1(C)CCc2cccc(NC(=O)[C@@]3(C)CCC(=O)NC3)c2O1 530041223 CEVMBUBXTLNUEA-SFHVURJKSA-N 316.401 2.645 0 40 DFAB COc1cc([C@@H]2SCC(O)=Nc3c2cnn3C)ccc1O 49545187 OIYQTJWOIQCGRB-ZDUSSCGKSA-N 305.359 2.559 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccc(F)cc1 49941436 JEJDKRVOMOTMAQ-HNNXBMFYSA-N 315.344 2.667 0 40 DFAB COc1ncccc1CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 193454944 LHLNHXDJKJCNFO-CABCVRRESA-N 308.447 2.577 0 40 DFAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN(C)C)cc1)C1CC1 225644122 ATSOZDVMHCUHRQ-GOSISDBHSA-N 320.433 2.771 0 40 DFAB COC[C@@H](C)N[C@@H](c1ccc(Cl)c(F)c1)c1noc(C)n1 195566409 DMAJMAKBKSOHLH-OQPBUACISA-N 313.760 2.884 0 40 DFAB O=C(CC1(O)CCCC1)NC[C@@H](O)c1ccc2ccccc2c1 96475227 DVPWBWNPLFHHDC-QGZVFWFLSA-N 313.397 2.685 0 40 DFAB COc1ccsc1S(=O)(=O)N(C)c1ccc(F)cc1 96471748 UMTLSAXXMIJIDP-UHFFFAOYSA-N 301.364 2.721 0 40 DFAB CN1CC[C@@H](NC(=O)c2ccoc2)[C@H]1c1ccc(F)c(F)c1 245339483 TXNZMHLCFBZKNL-HUUCEWRRSA-N 306.312 2.733 0 40 DFAB C[C@H](OC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 245287314 BXIBCFQYVPNHQH-BPNCWPANSA-N 314.341 2.557 0 40 DFAB Cc1cc2c(cc1NC(=O)N1CCC[C@H]1[C@@H]1CCCO1)OCO2 252509352 YLXIRVOPEUVAGQ-KBPBESRZSA-N 318.373 2.899 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 257267997 MJVCBZDQZDJNJB-OAHLLOKOSA-N 323.396 2.900 0 40 DFAB CC(C)n1nccc1CNCc1ccnn1CC(F)(F)F 256050836 GQYPVOZTCPXAMS-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccccc1F 262053776 VDOZCIAKCVETQC-INIZCTEOSA-N 314.360 2.621 0 40 DFAB Cc1ccc2oc(C(=O)NCc3cn4c(n3)CCCC4)cc2n1 264204314 QGIJUPCJQORKAM-UHFFFAOYSA-N 310.357 2.599 0 40 DFAB COc1ncc(NC(=O)Nc2cccc(F)c2C)c(OC)n1 96098720 LDQKQGNSLLTKNY-UHFFFAOYSA-N 306.297 2.585 0 40 DFAB CCO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2 575403021 HPDOVXUNLNBJPV-ZDUSSCGKSA-N 316.426 2.905 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCC3CCCC3)CS2)C1 575405203 XAXNASNNFFMIAQ-SNPRPXQTSA-N 309.475 2.936 0 40 DFAB C[C@@H]1CCN(C(=O)Cc2cncn2C)c2ccccc2S1 585141162 QRLZEEDUECBPJE-GFCCVEGCSA-N 301.415 2.880 0 40 DFAB Cn1ccc(CCNC(=O)N2CCC[C@H]2c2ccsc2)n1 680630392 KOWRBENHMDJGQB-AWEZNQCLSA-N 304.419 2.571 0 40 DFAB O=C(N[C@H]1CCc2cc(F)ccc21)c1ccnc(-n2ccnc2)c1 55656337 GCCXQTZJLAGPMR-INIZCTEOSA-N 322.343 2.824 0 40 DFAB COc1cc(CN(C)[C@@H](C)C(=O)N2CCCC2)ccc1SC 69389373 OKRSSACZXGZXQD-ZDUSSCGKSA-N 322.474 2.860 0 40 DFAB Cc1nc(-c2nc[nH]n2)sc1C(=O)OCCc1cccs1 69774182 RDMWDZDNULHLEG-UHFFFAOYSA-N 320.399 2.698 0 40 DFAB CO[C@@H](C(=O)NC[C@H]1CCCN(C(C)C)C1)c1ccccc1 65591913 SXURFYADUFNWTL-NVXWUHKLSA-N 304.434 2.611 0 40 DFAB Cc1nc2cc(C(=O)NCC(C)C)ccc2n1C1CCNCC1 575444718 CKAHSPABLONSQW-UHFFFAOYSA-N 314.433 2.655 0 40 DFAB C[C@@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 12181013 XXKQIROTOMQKJG-ACJLOTCBSA-N 314.429 2.503 0 40 DFAB CCCCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 14049128 DGIBQNFHKXOMMB-UHFFFAOYSA-N 317.389 2.984 0 40 DFAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CC3)n2)cc1F 15674346 FTPFSHPIQNCKIQ-HIFRSBDPSA-N 317.364 2.702 0 40 DFAB biogenic,in-vitro Cc1cc(O)nc([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 19117821 FMNQISXVSBBADF-LBPRGKRZSA-N 315.348 2.650 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2nc(O)cc(C(C)C)n2)on1 19119868 UJHKJBIFTNGLHB-LBPRGKRZSA-N 316.361 2.579 0 40 DFAB Cc1ccc(C)c([C@@H](O)CN2CCN(c3nccs3)CC2)c1 19132133 ONEFDFDJUNSZFG-INIZCTEOSA-N 317.458 2.616 0 40 DFAB CC(=O)Nc1cc([C@@H]2CCCNC2)nc2c1c(C)nn2C(C)C 19717716 XQSZTRKBHKOLNS-CYBMUJFWSA-N 315.421 2.746 0 40 DFAB CC(=O)N1CCC[C@@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742392 RRZQDPPWVCCWHU-MRXNPFEDSA-N 321.384 2.807 0 40 DFAB Cc1ccc2nc(COC(=O)/C=C/c3ccccc3)cc(=O)n2c1 7339140 ABWSORQFSQFAHY-CSKARUKUSA-N 320.348 2.760 0 40 DFAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)[C@@H]1CCOC1 206668629 LTZJXISSRGMUTR-SECBINFHSA-N 305.359 2.651 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 20581624 YEMTZYPJFKTAEG-UHFFFAOYSA-N 300.767 2.651 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)c1cccnc1Cl 11558458 IEKFBDMQYPAHMR-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB O=C(NCc1ccccc1Cl)c1cc2c(nn1)CCCC2 1888879537 MGYQLIFHNIEANK-UHFFFAOYSA-N 301.777 2.939 0 40 DFAB Cc1c(Cl)ccc2sc(N3CC(n4nccn4)C3)nc12 1888881949 WJSHKCOBOHEBFA-UHFFFAOYSA-N 305.794 2.911 0 40 DFAB O=C(NC1CCCCC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374063 TZGAYUWNWZIWOL-AWEZNQCLSA-N 319.380 2.563 0 40 DFAB Cn1ncc2c(NCC(c3ccco3)c3ccco3)ncnc21 1775972798 WMCLOTOWWACBDT-UHFFFAOYSA-N 309.329 2.793 0 40 DFAB COc1cccc(C(=O)N2CCc3nc4ncccc4cc3C2)c1 24877526 XKZNJRFVEYHPTP-UHFFFAOYSA-N 319.364 2.837 0 40 DFAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccc(F)cc1)OC2=O 100190129 OVCVRESKSQIMFO-IAGOWNOFSA-N 305.349 2.564 0 40 DFAB CCc1nccn1CC1CN(c2cccc(C(F)(F)F)n2)C1 2086875525 VPYABQSJTUEBSS-UHFFFAOYSA-N 310.323 2.996 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cccc2c1-c1ccccc1C2=O 96191927 VPXQXXDVDTWSFV-LBPRGKRZSA-N 307.349 2.807 0 40 DFAB Cc1ccc(O)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 40070891 OLASQMPGQWBEGL-AWEZNQCLSA-N 304.415 2.795 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCc2ccccc2F)c1 8155396 FPELMPQKYPZIFS-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CCCNC(=S)NCc1c(C)nn(-c2ccccc2)c1C 8150433 VHNXMKSRBNPNPP-UHFFFAOYSA-N 302.447 2.863 0 40 DFAB COc1ccccc1NC(=O)NCCCN(C)CC(F)(F)F 45950088 YBUXFHWHNYEZTG-UHFFFAOYSA-N 319.327 2.701 0 40 DFAB CC(C)C[C@@H](CN[C@H](C(=O)O)C(C)C)NC(=O)OC(C)(C)C 2526319 GNQZRCXIDDSAME-STQMWFEESA-N 316.442 2.625 0 40 DFAB COc1cccc(NC(=O)COc2ccccc2NC(C)=O)c1 6064147 MEVOIQALOSTTFU-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccnc1 6281196 KXYLDPNBEPZPQO-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2c(O)cccc21 76689906 WVPBMSUQNYCWQR-OAHLLOKOSA-N 300.358 2.733 0 40 DFAB C[C@@H](Sc1nnc(Nc2cccc(Cl)c2)s1)C(N)=O 7578542 HEFZZBWOLHNYPY-ZCFIWIBFSA-N 314.823 2.901 0 40 DFAB Cc1cc(C)cc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1 7882565 YIIHRJIYFIMXPR-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB O=C(O[C@H]1CCOC1=O)C1c2ccccc2Oc2ccccc21 2656899 DCBGHHDSKDMAQG-HNNXBMFYSA-N 310.305 2.783 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1OC(F)F 102354772 ANFBLRNICVPSLR-TXFQPVFDSA-N 319.307 2.990 0 40 DFAB CCCn1nnc(NC(=O)c2cc(Cl)ccc2Cl)n1 479443 GBPLVOFUNSJTPV-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB CCOC(=O)N[C@@H](C(=O)NCCSc1ccccc1)C(C)C 32911713 DJEGLOUASXOGHD-CQSZACIVSA-N 324.446 2.666 0 40 DFAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccco1 536678 JFPQEWHDJJTEEO-UHFFFAOYSA-N 314.322 2.513 0 40 DFAB C[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1cccs1 78052245 STSVYWSLIADPAG-SNVBAGLBSA-N 313.386 2.681 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)Nc2ccccc2)C[C@H](C)O1 22460828 VMHCJTNEPCAVMQ-KBPBESRZSA-N 305.422 2.696 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccco1 23243704 BQXISPBVUVVOQO-ZDUSSCGKSA-N 312.369 2.767 0 40 DFAB O=C(c1ccc(N2CCNC2=O)cc1)N1CCCCCCC1 54304390 FTROBWAXDKBJJD-UHFFFAOYSA-N 301.390 2.623 0 40 DFAB COC(=O)CCNc1nc(-c2ccncc2)nc2ccccc12 47080618 XGUFBLVSSFZCNH-UHFFFAOYSA-N 308.341 2.667 0 40 DFAB O=C(NCCCCOc1ccc(F)cc1)c1cccnc1O 12393037 TZEZNSVRPWTKDZ-UHFFFAOYSA-N 304.321 2.515 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)NCCN2CCc3sccc3C2)C1 54686793 UZSBHBIRUBUZPC-DZGCQCFKSA-N 321.490 2.984 0 40 DFAB CC(=O)Nc1ccc(C(=O)CSc2cc(C)ncn2)cc1 1286625 PFOHKHYNSTWEOS-UHFFFAOYSA-N 301.371 2.718 0 40 DFAB CCC[C@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1 58137297 HLCHBGJNVHGTCS-INIZCTEOSA-N 316.445 2.774 0 40 DFAB O=C(c1cc2ccccc2oc1=O)N1CCc2ccccc2C1 1448317 IKGIBRHEJGSZQC-UHFFFAOYSA-N 305.333 2.992 0 40 DFAB COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(F)cc1 58160170 KNKCZNDNDUJUHV-DOMZBBRYSA-N 324.396 2.644 0 40 DFAB O=C(c1ccc(NCc2nc(C3CC3)no2)cc1)N1CCCC1 55831653 KWOJROGGWAOCML-UHFFFAOYSA-N 312.373 2.795 0 40 DFAB Cc1ccc(CN2c3ccccc3C(=O)CS2(=O)=O)cc1 57352231 NMLFHCMQVGZXDI-UHFFFAOYSA-N 301.367 2.528 0 40 DFAB CC(C)[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(F)cc1 44372876 FPBUOQCAJFHSHA-CZUORRHYSA-N 306.381 2.507 0 40 DFAB COc1ccccc1C(=O)OCC(=O)NCCC1=CCCCC1 3264719 AFFCCFAZRLGALI-UHFFFAOYSA-N 317.385 2.859 0 40 DFAB Cc1oc(C)c(C(=O)Nc2cccc(-c3nnnn3C)c2)c1C 10091999 NPGYLRPBWAPJGE-UHFFFAOYSA-N 311.345 2.648 0 40 DFAB CCCCC(=O)N[C@H](c1ccccc1OC)c1nccn1C 44890315 AKYMDAUYLOIYLN-MRXNPFEDSA-N 301.390 2.825 0 40 DFAB CC(C)(C)n1ncc(NC[C@@H](O)c2ccccc2)c(Cl)c1=O 58231810 LNYPJERZNYYUFB-CYBMUJFWSA-N 321.808 2.797 0 40 DFAB O=c1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2sccn12 8266459 HYHOMFJLXLXICI-QWHCGFSZSA-N 303.431 2.768 0 40 DFAB COCCCN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 48363297 BFFUKGACULHDHA-GOSISDBHSA-N 312.369 2.643 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 48333959 GPCDFKAOQITUOV-CYBMUJFWSA-N 305.765 2.633 0 40 DFAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)C2 12853873 QGVUMQPZJQIKFU-OAHLLOKOSA-N 312.394 2.749 0 40 DFAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c[nH]1 89989335 UQOVRYQSRSDONN-UHFFFAOYSA-N 322.368 2.700 0 40 DFAB C[C@@H](c1cccnc1)N(C(=O)c1cccc(C(N)=O)c1)C1CC1 69367365 YYNSBNYTBGDWOO-LBPRGKRZSA-N 309.369 2.546 0 40 DFAB COc1ccc(CC(=O)Nc2cc(NC(C)=O)ccc2F)cc1 13012232 HLBOLYGKMWUUFT-UHFFFAOYSA-N 316.332 2.974 0 40 DFAB CC[C@H](Oc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1 13022173 BXCFFHOPQBENHV-AWEZNQCLSA-N 305.374 2.748 0 40 DFAB CC1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 20612623 MLOAQGCMPQMTQA-UHFFFAOYSA-N 320.458 2.859 0 40 DFAB COc1coc(C(=O)Nc2ccc(Br)cc2)cc1=O 38516610 JKMNHWIEPLFQOJ-UHFFFAOYSA-N 324.130 2.663 0 40 DFAB COc1ccc(Cl)cc1CN1CCC[C@@H]1Cn1cncn1 69877779 KQIUPCXFHXSPNX-CQSZACIVSA-N 306.797 2.605 0 40 DFAB Cc1ccc(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)o1 14163333 OUWUQLHQMHVUJL-UHFFFAOYSA-N 318.354 2.860 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccccc1F 14188041 SYXDVDIEWPIUGS-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2)c2ccc(C)cc21 6760169 BJYOCOHRXCSGHK-SFHVURJKSA-N 324.380 2.598 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1c(F)cccc1F 6948316 WBJNMBJBWVXRKC-JTQLQIEISA-N 312.341 2.532 0 40 DFAB O=C(NCc1ccccc1)c1n[nH]nc1Nc1ccccc1F 67283724 DICQMNGVZKCGRX-UHFFFAOYSA-N 311.320 2.617 0 40 DFAB Cc1nc(SCc2cc(=O)n3ccsc3n2)nc(C)c1C 7252751 DFTSSRRNFBUJPJ-UHFFFAOYSA-N 318.427 2.764 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)c1C 15679325 QQXXQIUWIFAPHS-UHFFFAOYSA-N 324.428 2.866 0 40 DFAB COCc1csc(NC(=O)c2cc(-c3cccs3)n[nH]2)n1 72286099 RDSTYXLMSIFCPW-UHFFFAOYSA-N 320.399 2.993 0 40 DFAB CCC(=O)NCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 71803277 MSXNTAGBLYHEDK-UHFFFAOYSA-N 322.368 2.695 0 40 DFAB COCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 71884458 YWFJMAUUGVPMIH-LJQANCHMSA-N 311.381 2.864 0 40 DFAB CCOc1ccccc1C1=CCN(C(=O)c2ccc(=O)[nH]c2)CC1 71840019 NGCCCYGFXDQTHG-UHFFFAOYSA-N 324.380 2.703 0 40 DFAB COc1ccccc1CC(=O)N1CCCC[C@H](N2CCCC2)C1 71886344 MJNZTRUOAPEIOU-KRWDZBQOSA-N 316.445 2.715 0 40 DFAB Cc1cccc(N2CCC(C(=O)NCc3ccccc3)CC2)n1 97096698 IKOGFFGRFQSFJT-UHFFFAOYSA-N 309.413 2.923 0 40 DFAB Cc1c(O)nc(SCc2ncnn2C)nc1-c1ccccc1 97094770 IRFOJKZOTHKBBR-UHFFFAOYSA-N 313.386 2.578 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1ccn(CC(F)(F)F)n1 95431065 CZCGGTKTGZMLPJ-AXFHLTTASA-N 318.343 2.645 0 40 DFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCOC(C)C 408703648 VTAZEGVCZOYACP-MRXNPFEDSA-N 309.406 2.784 0 40 DFAB CC1=C(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)CCCO1 95439501 HYPHLMFVSGLZMP-AWEZNQCLSA-N 318.421 2.649 0 40 DFAB COCc1nc(C)cc(N(C[C@H](O)c2ccccc2)C2CC2)n1 95418280 NXZNQVPFRHZFOH-INIZCTEOSA-N 313.401 2.634 0 40 DFAB C[C@H](NC(=O)[C@H](O)c1ccccc1)c1nc2c(s1)CCCC2 95405571 XHICXMLKHQNNGD-XHDPSFHLSA-N 316.426 2.933 0 40 DFAB CC[C@@H]1CCCN(C(=O)Nc2c(N(C)C)ccnc2OC)C1 95466919 MFSNHEPAAKRQJP-GFCCVEGCSA-N 306.410 2.810 0 40 DFAB COC(=O)[C@H]1CCCC[C@H]1OC(=O)c1cnn(C(C)(C)C)c1 95983035 LPJCRZGUIUUPJP-QWHCGFSZSA-N 308.378 2.527 0 40 DFAB COc1ccc(C)c(NC(=O)NCc2cccc(N(C)C)n2)c1 95981899 RJWLXFWJFFJXGM-UHFFFAOYSA-N 314.389 2.786 0 40 DFAB COc1ccc2nc(C)cc(OCC(=O)N3CCCCC3)c2c1 95947481 ULWNZOBGZXLKFH-UHFFFAOYSA-N 314.385 2.943 0 40 DFAB CC(=O)NC(C)(C)C(=O)N[C@@H](C)Cc1ccc2ccccc2c1 95961602 RIKRISKBEZPQHQ-ZDUSSCGKSA-N 312.413 2.802 0 40 DFAB CN(c1ccccc1NC(=O)CC1=CCCCC1)S(C)(=O)=O 89365577 NNDVBLASEZDGOB-UHFFFAOYSA-N 322.430 2.911 0 40 DFAB CC1(C)CC[C@@H](NC(=O)N(CCO)C2CC2)c2ccccc21 75126234 QJDNNYWBIVDTPU-MRXNPFEDSA-N 302.418 2.965 0 40 DFAB Cc1ccc(CNC(=O)NC2CCCC2)c(O[C@H]2CCOC2)c1 89623600 COEAJZGYJIYWSR-INIZCTEOSA-N 318.417 2.905 0 40 DFAB Cc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)CN2Cc2ccccc2)o1 89656135 DKQICRLFFHNISK-GOSISDBHSA-N 322.368 2.609 0 40 DFAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccnc1 22931748 IRVWNFVZAXCNJC-LJQANCHMSA-N 310.445 2.963 0 40 DFAB Cc1ccc(Cl)cc1-n1nc(C(N)=O)nc1-c1ccccc1 408694314 IUMXFIRKKKTGDN-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB c1cncc(CN2C[C@]3(CCN(CC4CC4)C3)c3ncccc32)c1 306129206 HXLZLZKVZVUOJM-HXUWFJFHSA-N 320.440 2.850 0 40 DFAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1cnc[nH]1 524733061 PVBLVPLTPMJOHK-OAHLLOKOSA-N 314.414 2.611 0 40 DFAB C[C@@H](C(=O)NC1CCCC1)N1C(=O)CCCc2ccccc21 33249773 URBSXANVEKXBGH-ZDUSSCGKSA-N 300.402 2.803 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1 71285061 GMQSSXFQAHZXSQ-QWHCGFSZSA-N 318.373 2.576 0 40 DFAB Cc1cc(CN[C@H](C)Cn2cncn2)ccc1Br 72737814 DYUVOGWBELZHAA-LLVKDONJSA-N 309.211 2.527 0 40 DFAB Cc1ccc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cn1 78664695 IUPJGEUHCOYNAW-AWEZNQCLSA-N 324.302 2.872 0 40 DFAB CCc1ccc([C@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218518814 SYYUYBDVOFAIQA-BZSNNMDCSA-N 316.422 2.797 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 223270011 BPZYLKGSUYHWFK-GZBFAFLISA-N 309.431 2.779 0 40 DFAB COCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225883464 WBFYKQYLCDXZHV-QGZVFWFLSA-N 324.421 2.805 0 40 DFAB CC(C)c1cc(C(=O)OC2CCN(CC(F)(F)F)CC2)n[nH]1 80412854 ZCBBNBKEACNSRV-UHFFFAOYSA-N 319.327 2.717 0 40 DFAB Cc1cccc(NC(=S)NCCCN2CCCCCC2)n1 225401675 FBYFYHOWRRXQCV-UHFFFAOYSA-N 306.479 2.943 0 40 DFAB COc1ccc(C(=O)CCC(=O)N(C)c2nccs2)cc1F 81754805 SRNORRVHWATRLD-UHFFFAOYSA-N 322.361 2.917 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@@](C)(O)c2cccs2)cs1 80879090 CXTPGBISJFECMI-VBROQKIQSA-N 308.428 2.550 0 40 DFAB COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)c(OC)c1 43209993 MIHCWPIVGPBWIG-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB O[C@H](CN[C@H](c1ccccc1)c1ccccn1)c1ccncc1 195553854 CQCQYPJKHSYXKG-RTBURBONSA-N 305.381 2.889 0 40 DFAB CC[C@@H](C(=O)N1CCC[C@@H]1C(C)(C)O)c1ccc(OC)cc1 192548098 KKEAZODEYSYSII-HZPDHXFCSA-N 305.418 2.951 0 40 DFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 222992349 AITFAYLYCGAUIJ-ZIAGYGMSSA-N 319.455 2.762 0 40 DFAB CN(C)CCNc1ncc(C(F)(F)F)cc1Br 91695690 OQFSJTBAMGGYRB-UHFFFAOYSA-N 312.133 2.836 0 40 DFAB O=C(C1=CCCCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042100 JJLAVGCPAVCCAB-YESZJQIVSA-N 305.418 2.672 0 40 DFAB CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)[nH]n2)s1 331330543 QYMPKJXNELOLAQ-UHFFFAOYSA-N 318.324 3.435 0 40 DFAB CCN1CCC2(CC1)C[C@@H](NC(=O)NC)c1cc(C)ccc12 96241800 PNFJPFSMSRDUNM-MRXNPFEDSA-N 301.434 2.722 0 40 DFAB CCc1nnc(CNC(=O)N[C@H]2CCc3ccc(F)cc32)s1 578944972 DYHNLSMEYCGOQO-LBPRGKRZSA-N 320.393 2.726 0 40 DFAB CC(C)C[C@H](C)OC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 583651560 OHNLKFBCPLCTIM-GXTWGEPZSA-N 310.438 2.794 0 40 DFAB CN(C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nccs1 96425015 VIVKNCDCANSDBY-VXGBXAGGSA-N 316.382 2.681 0 40 DFAB O=C(C1CCC(F)(F)CC1)N1CCc2ccccc2[C@@H]1CO 97097602 BEWDIHHZONHWHO-HNNXBMFYSA-N 309.356 2.930 0 40 DFAB CC(C)(C)NC(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254145 HAHRBZQJJMONMI-LBPRGKRZSA-N 314.389 2.591 0 40 DFAB Cc1ccc(Cl)c(S(=O)(=O)NCC(C)(C)C[C@H](C)O)c1 96502230 QCIZSWLJIRTJDA-NSHDSACASA-N 319.854 2.724 0 40 DFAB Cc1cc(CCNC(=O)c2ccccc2C(F)(F)F)nn1C 245093446 RNTRDVXVGWRHAX-UHFFFAOYSA-N 311.307 2.720 0 40 DFAB CCc1ccc([C@H]2CN(c3ccnc(C)n3)[C@@H]3CCNC[C@H]23)cc1 257318829 VPOHIHXASNBOEG-GUDVDZBRSA-N 322.456 2.929 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@@H]1CCOC1 41333965 HSAGABUOUOIZMJ-GXTWGEPZSA-N 306.406 2.937 0 40 DFAB Cc1cc(OC2CCN(C(=O)c3ccsc3)CC2)nc(C)n1 390826026 ABFKXQUVTRQGQC-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB CO[C@@]1(COc2ccccc2)CCCN(Cc2c[nH]nc2C)C1 585275029 UGBSQGMLMWPKQC-SFHVURJKSA-N 315.417 2.778 0 40 DFAB CN(C)CCc1ccc(NC(=O)C2(c3ccccn3)CC2)cc1 585140900 MHHWVOFMNCETGI-UHFFFAOYSA-N 309.413 2.856 0 40 DFAB CCOc1ccc(C(C)=O)cc1CN1CCC=C(C(=O)OC)C1 585140528 GNLHGFSAOJTDEI-UHFFFAOYSA-N 317.385 2.593 0 40 DFAB O=C(NCCCNc1ncccn1)c1cc2ccccc2s1 42757047 CCPFEVPSUGPPGA-UHFFFAOYSA-N 312.398 2.923 0 40 DFAB O=C(NC[C@H]1CCCC[C@H]1O)Nc1ccc2c(c1)OCCCO2 71921091 UZXLHASHCHTMOO-TZMCWYRMSA-N 320.389 2.521 0 40 DFAB C[C@@H](CNC(=O)N1CCC[C@H](N(C)C)C1)Cc1cccs1 74628633 URPOYASVZPZHEK-KGLIPLIRSA-N 309.479 2.662 0 40 DFAB CCn1c(SCC(=O)NC2CCCCC2)nnc1C(C)C 13995630 YXUPBLIUYRSNGP-UHFFFAOYSA-N 310.467 2.962 0 40 DFAB Cc1c(C(=O)N2CCCCC2)nnc2c(-c3ccccc3)cnn12 19817070 GWRFTWZVBKGBQS-UHFFFAOYSA-N 321.384 2.726 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2cnc(C)nc2C)cc1OC 19937147 VFANANFFKZKRRC-JTQLQIEISA-N 315.373 2.602 0 40 DFAB CCC1(c2ccccc2)CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 573182973 MSDAAHJBGFIUAT-HNNXBMFYSA-N 324.428 2.640 0 40 DFAB CC(C)c1ccc(O)c(C(=O)Nc2nc(C(=O)O)cs2)c1 2037873712 RGCDPWLJNKPUBD-UHFFFAOYSA-N 306.343 2.923 0 40 DFAB COC(=O)C(=O)c1ccc(Br)cc1C(F)(F)F 260997135 FPFATKQEJDTSET-UHFFFAOYSA-N 311.053 2.824 0 40 DFAB O=C(N1CC[C@@]2(C[C@H](Nc3ccccc3)CO2)C1)C1(F)CCC1 1565547337 PXAFUGABZKVUON-DOTOQJQBSA-N 318.392 2.751 0 40 DFAB Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc32)[nH]c1=O 252640 NQGPYHYIFMRUKJ-UHFFFAOYSA-N 319.364 2.528 0 40 DFAB Cc1cc(NS(=O)(=O)C(C)C)ccc1N1CCCCC1=O 5329889 LWYPOWPKFUHOCQ-UHFFFAOYSA-N 310.419 2.662 0 40 DFAB CCc1nc2sc([C@@H](c3ccco3)N3CCCC3)c(O)n2n1 22853021 LXUBCVNRVLLLRZ-GFCCVEGCSA-N 318.402 2.837 0 40 DFAB Cc1ccc(CN2CCC(C(=O)N3CCSCC3)CC2)cc1 2298206427 ZBWMNDOIKAMTDH-UHFFFAOYSA-N 318.486 2.782 0 40 DFAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3429697 HKVVQDFHSQQVGA-MRXNPFEDSA-N 314.429 2.874 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)o2)cc1 30206052 VVBMFXLTGXMTIH-UHFFFAOYSA-N 307.733 2.992 0 40 DFAB CN(C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCCC1 40103216 LZAAFLSJNFSMQG-UHFFFAOYSA-N 323.466 2.802 0 40 DFAB Cc1noc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cc12 30862899 XLWFYERIDBSDFU-UHFFFAOYSA-N 320.352 2.985 0 40 DFAB CNC[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 40595157 XIPLKPVAWAJCTJ-LLVKDONJSA-N 311.223 2.521 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCSCC1 40542078 ANHBAINZDHHZTH-UHFFFAOYSA-N 304.419 2.510 0 40 DFAB COc1ccccc1N1CCN(c2ncnc3ccccc23)CC1 109486 CLBFLRTUMYCASL-UHFFFAOYSA-N 320.396 2.965 0 40 DFAB CCc1cc2c(=O)n(CC(=O)Nc3ccccc3)cnc2s1 148859 ZASKKPLYIGWRSR-UHFFFAOYSA-N 313.382 2.659 0 40 DFAB CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 230709 MGGVIXPFXZSMQY-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB CC1CCC(C(=O)N[C@H](C(=O)Nc2ccncc2)C(C)C)CC1 248160 XFOOPEAQNDHLSW-XUJLQICISA-N 317.433 2.987 0 40 DFAB CSc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1N 19797166 BYQRMMWELRODGK-UHFFFAOYSA-N 303.412 2.869 0 40 DFAB C[C@@H]1C[C@H]1CNC(=O)CCCc1nc(-c2cccs2)no1 32392759 FGTMBVLBUSTPMY-MNOVXSKESA-N 305.403 2.893 0 40 DFAB COc1ccccc1[C@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678510 UXHBMMLFRYMHCE-NOZJJQNGSA-N 303.387 2.890 0 40 DFAB O=C(CN1CCCc2ccccc21)NC(=O)NC1CCCCC1 2634133 VAJFORONYPCTOO-UHFFFAOYSA-N 315.417 2.598 0 40 DFAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCC1 58247180 GLZQTIBMWOTKPJ-UHFFFAOYSA-N 323.468 2.988 0 40 DFAB C[C@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1 69615879 IMIUFQJIYHQLRI-MRXNPFEDSA-N 315.398 2.795 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCCc3c(C(N)=O)cccc32)c1 102720629 GNRFCMWDCKXOQA-UHFFFAOYSA-N 322.408 2.924 0 40 DFAB C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 33014537 ZDDAPVAXPISLEQ-AWEZNQCLSA-N 323.462 2.635 0 40 DFAB O=C(CCc1ccsc1)N1CCC(Nc2cccnn2)CC1 69655459 WZUQFIQLCYKDGQ-UHFFFAOYSA-N 316.430 2.574 0 40 DFAB Nn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 529706 UVRMJQLOPIXSKY-UHFFFAOYSA-N 317.805 3.000 0 40 DFAB C[C@H](OCC1CC1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C 69485749 VMVSBSNSMYZJNC-NSHDSACASA-N 317.364 2.980 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H](C)OC[C@@H]1C 46745940 ZYOGUNQBXRUEJW-UWVGGRQHSA-N 306.387 2.961 0 40 DFAB NC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 22226460 YFMGSSSBUDBLQC-UHFFFAOYSA-N 306.325 2.978 0 40 DFAB O=C(COCC(F)(F)F)Nc1c(F)cccc1N1CCCC1 103944590 LSCLYBQJICAVFP-UHFFFAOYSA-N 320.286 2.943 0 40 DFAB Cc1cc([C@H](C)C(=O)N2CCC[C@H]2Cn2cccn2)c(C)o1 69632032 PPRXNHOBSACLHO-ZFWWWQNUSA-N 301.390 2.888 0 40 DFAB CCOc1ncccc1CNC(=O)NCCc1ccccc1C 12545748 RSNFFJZUVPIOBS-UHFFFAOYSA-N 313.401 2.831 0 40 DFAB Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(N)n1 54981729 LPXLHIXAJZRCJH-UHFFFAOYSA-N 316.380 2.667 0 40 DFAB CCC(=O)NC(=S)Nc1c(Cl)cc(C(=O)O)cc1Cl 59843093 SIKFRAXLQQRARV-UHFFFAOYSA-N 321.185 2.915 0 40 DFAB Cn1c(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc2ccccc21 55859602 BTONPHXSRUTWRY-HNNXBMFYSA-N 321.380 2.674 0 40 DFAB Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cn1 25310515 MZWXYMOLRJIJOW-UHFFFAOYSA-N 301.737 2.716 0 40 DFAB Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCN(C)C(=O)C2)c1 56001803 ABVADEOWNTXRJX-JKSUJKDBSA-N 300.402 2.527 0 40 DFAB COc1ccc(OC)c([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)c1 62001653 WYZHVMFGJGFGFV-PKOBYXMFSA-N 324.380 2.628 0 40 DFAB biogenic CCCCOC(=O)[C@@H](C)n1cnc2sc(CC)cc2c1=O 1892801 GPFKICSTEZYWAJ-SNVBAGLBSA-N 308.403 2.925 0 40 DFAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H]1CCCO1 44896562 RAQRXPPCWATSNX-GFCCVEGCSA-N 318.348 2.709 0 40 DFAB COC(=O)C1CCN(C(=O)CSc2ccc(C)c(C)c2)CC1 58246291 RFWXUWFXNZVYDS-UHFFFAOYSA-N 321.442 2.807 0 40 DFAB COc1cc(C(=O)N2CCOCC2(C)C)ccc1OC(F)F 58278026 WJWXTPNHTHDUOS-UHFFFAOYSA-N 315.316 2.548 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 44912994 DWCZXQZYUCKRSS-HZMBPMFUSA-N 316.332 2.592 0 40 DFAB CCCCNC(=S)NNc1ncnc2sc(C)c(C)c12 3377120 GHMPMIYZDRADJN-UHFFFAOYSA-N 309.464 2.899 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)C1 27955568 RRNGESVWNRRFTM-WMLDXEAASA-N 322.474 2.973 0 40 DFAB CCSCCC(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58404839 UQTNMJLILFXZSX-CQSZACIVSA-N 322.474 2.781 0 40 DFAB CC(=O)c1ccccc1OCCOC(=O)c1ccc(CO)cc1 12736735 QGYIDOJDUOZUSF-UHFFFAOYSA-N 314.337 2.617 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1c1ccsc1 48252439 SCZQBVQAWBBUIQ-AAEUAGOBSA-N 318.398 2.823 0 40 DFAB COCCOc1ccc([C@H](C)NC(=O)C2CCC2)cc1OC 48356611 MSUFHSMRSOEZLY-LBPRGKRZSA-N 307.390 2.698 0 40 DFAB O=C(O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 3888171 RKNUODKTBUBTHZ-UHFFFAOYSA-N 316.313 2.512 0 40 DFAB Cc1ccccc1NC(=O)CNc1ccc(Cl)cc1C(N)=O 63481354 RUEUGSHNINRALB-UHFFFAOYSA-N 317.776 2.798 0 40 DFAB Cc1cc(C)c2c(N)c(C(=O)N3C[C@H](C)O[C@H](C)C3)sc2n1 18059133 UCHBTLPSXZXSAB-PHIMTYICSA-N 319.430 2.745 0 40 DFAB Cc1ccc(NC(=O)C[C@H](NCC(C)C)C(=O)O)cc1Cl 4280146 VFIHRHJFDFCXQL-ZDUSSCGKSA-N 312.797 2.676 0 40 DFAB O=C1C[C@H](c2ccccc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8770031 HLTTYSYBCNRZKR-CQSZACIVSA-N 317.348 2.911 0 40 DFAB CC(C)c1nc2ccc(NC(=O)NCC(=O)N(C)C)cc2s1 65595229 FMEGRUNKRBXMEU-UHFFFAOYSA-N 320.418 2.629 0 40 DFAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccccn1 28235463 JLMNTGVYWYEPRJ-SECBINFHSA-N 312.295 2.880 0 40 DFAB COC(=O)CCNC(=O)CSc1ccc2ccccc2c1 5938221 PMWHLRKDWWZWSX-UHFFFAOYSA-N 303.383 2.611 0 40 DFAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccccc1 7069491 AIPZDNGRLBHDDH-VAWYXSNFSA-N 304.353 2.978 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccccc1F)c1cc(F)ccc1F 71185625 OOPSGYZHNCESQQ-AWEZNQCLSA-N 323.270 2.748 0 40 DFAB Cc1ccc(N2CC[C@H](NC(=O)Cc3ccsc3)C2=O)cc1 75520529 WSTWBPLFQPPDDC-HNNXBMFYSA-N 314.410 2.521 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c[nH]c3ccccc23)no1 8255112 YVJGWJFJYDXKIY-JTQLQIEISA-N 313.313 2.648 0 40 DFAB O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1 8234681 OBNLLXODYGFXOZ-ZDUSSCGKSA-N 320.820 2.747 0 40 DFAB CC(C)n1cnc2cc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)ccc21 78896529 DSECYYRIIGTQTE-SUMWQHHRSA-N 314.433 2.639 0 40 DFAB O=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(OC(F)F)cc1 96433745 AFTKLEBDYFPOQQ-BXKDBHETSA-N 300.305 2.571 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)N[C@@H](C)c2cccnc2)C1 71857179 XBALNODHOZDCGR-LSDHHAIUSA-N 304.438 2.562 0 40 DFAB Cc1ccsc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847701 MKNZTGLXMOAVIQ-CQSZACIVSA-N 314.410 2.587 0 40 DFAB c1ccc(-n2cc(Cn3nccc3N[C@@H]3CCCOC3)cn2)cc1 97046024 RXHRVDWYSPQEIX-MRXNPFEDSA-N 323.400 2.708 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCN1C(=O)/C=C/c1ccccc1 97134301 VTNZLEHOXJRRIV-FLVLSHQESA-N 306.365 2.939 0 40 DFAB C[C@@H](NC(=O)NCCC1(C)OCCO1)[C@H](C)c1ccccc1 97115807 VGKLHTIHMPNZJP-UONOGXRCSA-N 306.406 2.631 0 40 DFAB C[C@@H](NCc1nnc(C2CC2)n1C)c1nc(C2CCCC2)no1 97374543 VGEINTVHSSTOKE-SNVBAGLBSA-N 316.409 2.584 0 40 DFAB O=C(Nc1cnc(-c2ccccc2)nc1)C1SCCS1 95444485 JMEQKYPHHCYBKJ-UHFFFAOYSA-N 303.412 2.888 0 40 DFAB CNS(=O)(=O)c1ccccc1CN[C@@H](C)c1ccc(C)s1 95422027 TUSVTLRNLGCROH-LBPRGKRZSA-N 324.471 2.815 0 40 DFAB CC(C)N1CCO[C@H](c2noc(CCc3ccccc3)n2)C1 95999234 RSLPWWWMXAWSQP-HNNXBMFYSA-N 301.390 2.637 0 40 DFAB COCC(C)(C)NC(=O)Nc1cccc(N2CCCCC2=O)c1 95964462 IEKVDCPHJZSRFJ-UHFFFAOYSA-N 319.405 2.750 0 40 DFAB Cc1sc(-c2ccco2)nc1C(=O)OCCc1cnn(C)c1 95959802 CYKDLDZQNHXVCH-UHFFFAOYSA-N 317.370 2.845 0 40 DFAB O[C@@H](C[C@H]1CCCCCN1CC1OCCO1)c1cccs1 95992520 CPIUJSASUPWAER-KGLIPLIRSA-N 311.447 2.789 0 40 DFAB CCN(CC)C(=O)N1CCC(C(=O)Nc2ccnc(C)c2)CC1 75111004 VTGDRKTWSQUNJT-UHFFFAOYSA-N 318.421 2.502 0 40 DFAB Cc1ccc(C2=CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cc1 75119015 AOZHZEVMXUCBOP-UHFFFAOYSA-N 308.381 2.921 0 40 DFAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1Cc1ccccc1F 38922527 KEVCDUQOVTUFJI-GFCCVEGCSA-N 301.321 2.602 0 40 DFAB CC[C@@H](NC(=O)c1ccnc(-n2cnnc2)c1)c1ccccc1 32647009 JNVDBGDLEFPGJW-OAHLLOKOSA-N 307.357 2.543 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Cc2cc(C(=O)O)no2)CC1 1535641162 TWDQEYBDMAQPNE-UHFFFAOYSA-N 310.350 2.562 0 40 DFAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(F)c1 71979876 ZLFAJEBOJWFHJS-WKXXDYOBSA-N 321.348 2.658 0 40 DFAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2cnn(C)c2n1 36616273 JISSMXTVKWYONM-UHFFFAOYSA-N 302.284 2.807 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc2[nH]ccc12 36354320 HSOZTTPTSFWCNG-UHFFFAOYSA-N 311.316 2.562 0 40 DFAB CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2COC)C1 77916030 UDCWFVVCBZROKK-ZFWWWQNUSA-N 318.417 2.857 0 40 DFAB CC[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225568 RGMJYMUBDRCNLH-CQSZACIVSA-N 321.421 2.582 0 40 DFAB CN1CCC[C@@H](c2cncc(C(=O)N(C)C3CCCCC3)n2)C1 72387124 XGVGHIUKYKLUAS-CQSZACIVSA-N 316.449 2.691 0 40 DFAB CCOc1ccc(CSc2nnc3cc(C)nc(C)n23)nc1 83203514 GGSOGYGZMYJOMQ-UHFFFAOYSA-N 315.402 2.827 0 40 DFAB COc1ccc2c(c1NC(=O)NCCC1(O)CCC1)CCC2 225483007 UQUBECIADIVLJT-UHFFFAOYSA-N 304.390 2.611 0 40 DFAB O=C1C[C@@H]([C@H]2CCCCN2Cc2ccc(Cl)cc2F)CN1 225451790 LQFMIBSZNCIJSZ-IUODEOHRSA-N 310.800 2.970 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)C1CCC(F)(F)CC1 130804665 BOAUSWSEWHFWEG-CQSZACIVSA-N 323.387 2.992 0 40 DFAB CCCCOCc1cc(C(=O)NC[C@@H]2CCCO2)ccc1OC 224434893 ULVXOTBJBWISSW-INIZCTEOSA-N 321.417 2.921 0 40 DFAB CCOc1cc(NC(=O)c2cc(-c3cccs3)on2)ncn1 75166478 FGXBYXLZMVEALM-UHFFFAOYSA-N 316.342 2.844 0 40 DFAB CC1CCN(c2ncc3c(n2)CN(Cc2ccccc2)C3=O)CC1 46088819 XPHVJDQCGURSSO-UHFFFAOYSA-N 322.412 2.869 0 40 DFAB COC[C@H](NC(=O)NC1(COC)CC1)c1cccc(Cl)c1 578290695 DKIMRNYAQZRHID-ZDUSSCGKSA-N 312.797 2.506 0 40 DFAB C[C@@H]1CN(C(=O)NCCOc2cccnc2)[C@H]1c1ccccc1 96440314 HPSHHNNHWHQEAY-RHSMWYFYSA-N 311.385 2.863 0 40 DFAB Cc1ccc(OC2CCN(C(=O)c3cc(C)oc3C)CC2)nn1 96119431 ZYWBNQWSCVTTLX-UHFFFAOYSA-N 315.373 2.678 0 40 DFAB NC(=O)[C@@H]1CCCCN1Cc1csc(-c2ccsc2)n1 48345658 WNBILLCRNALSLR-LBPRGKRZSA-N 307.444 2.711 0 40 DFAB COC(=O)c1cc(F)c(N2C[C@H](C)O[C@H](C)C2)c(F)c1F 98210495 RUNLBZXPPGWNMB-OCAPTIKFSA-N 303.280 2.504 0 40 DFAB CCc1c(Cl)nc(C)nc1NCCc1nnc2ccccn12 96429089 ALQJYSNUVHLAIQ-UHFFFAOYSA-N 316.796 2.698 0 40 DFAB CCCCS(=O)(=O)N(C)Cc1ccc(F)c2cccnc12 96429055 CHVLHWRDXZFGIJ-UHFFFAOYSA-N 310.394 2.936 0 40 DFAB CCc1nc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)no1 331542769 HVYLIKDEUGBNRS-QMTHXVAHSA-N 303.337 2.994 0 40 DFAB COC(=O)NCCCC(=O)NCC1(c2cccc(Cl)c2)CC1 96416709 BASYHYGMTJZBIB-UHFFFAOYSA-N 324.808 2.624 0 40 DFAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)N[C@]2(C)CCOC2)c1 96485100 IONUTXSESXXCJV-QGZVFWFLSA-N 314.389 2.790 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@H]2c2ccc(F)cc2)cc1 242677036 SVXIUGWFYGUGTA-BRWVUGGUSA-N 320.385 2.682 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21 248212015 DRFOVJDRAKUGIN-GJZVTGKDSA-N 313.397 2.961 0 40 DFAB Cc1cc2nccc(C3CCN(Cc4ccccn4)CC3)n2n1 257282677 OUTYXTZOYWFHEO-UHFFFAOYSA-N 307.401 2.812 0 40 DFAB CNc1cc([C@H]2CCCN(C(=O)c3cscn3)C2)ccn1 257294775 QVQYTFYZCUUUHF-LBPRGKRZSA-N 302.403 2.600 0 40 DFAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@H]2CCCCN2C)n1 257320431 VWTZLCOWCVAUOE-OAHLLOKOSA-N 312.373 2.702 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2scnc2C)nc(C)n1 257231471 GGVFUIUOMSEPRW-LBPRGKRZSA-N 317.418 2.569 0 40 DFAB c1cnc(C[C@H]2CCC[C@@H]3CN(C4CCOCC4)C[C@@H]32)cn1 257276772 NVARFXIUEHQAEH-IIDMSEBBSA-N 301.434 2.546 0 40 DFAB CC(=O)N1CCN(C(=O)c2cccs2)[C@@H](c2ccccc2)C1 257297339 RGVLLOKASZCCEJ-OAHLLOKOSA-N 314.410 2.794 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)no1 257234282 GSWHCACZADHEAT-CYBMUJFWSA-N 316.405 2.689 0 40 DFAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccoc2)OC)c1 96390150 OXNIFLPCVRCXQB-FYCOFBDGSA-N 301.342 2.805 0 40 DFAB COc1cccc([C@H](CNC(=O)/C=C/c2ccoc2)OC)c1 96390151 OXNIFLPCVRCXQB-MOEXGYKKSA-N 301.342 2.805 0 40 DFAB COc1ccc(CCNCc2cc3ccccc3[nH]c2=O)cc1 13998870 LXNMXVWCGJSJDN-UHFFFAOYSA-N 308.381 2.869 0 40 DFAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)NC(C)(C)C)cc21 22509347 NCNNVBVCMVFZBU-UHFFFAOYSA-N 319.405 2.988 0 40 DFAB c1ccc(N2C[C@H]3CCN(c4nnc(C5CC5)s4)[C@H]3C2)nc1 1889096356 SBZBACOLZGNNPC-OLZOCXBDSA-N 313.430 2.526 0 40 DFAB Fc1ccc(N2CCOC[C@H]3CN(CC4CC4)CC[C@@H]32)cc1 2037980924 NGCMTNYXHJYNFK-QAPCUYQASA-N 304.409 2.763 0 40 DFAB Cc1c(C(=O)C(=O)NCCCOC(C)C)c2ccccc2n1C 4062484 JMDLBTBCFKVLOE-UHFFFAOYSA-N 316.401 2.601 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)cc1F 4583696 HXAYTDLBZGPBTB-UHFFFAOYSA-N 304.296 2.528 0 40 DFAB Cc1cccc(CC(=O)Nc2c(C)nc3ccc(C)cn3c2=O)c1 12180774 JEVGKOZOVKEQIN-UHFFFAOYSA-N 321.380 2.801 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17042998 GPMZWLFCHFOGAK-UHFFFAOYSA-N 310.353 2.897 0 40 DFAB Cc1cccc(-c2noc(CN3C(=O)COc4ccccc43)n2)c1 23125958 YWIKIEBEXVUAAX-UHFFFAOYSA-N 321.336 2.971 0 40 DFAB CN1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1 4993568 YVFMXQOVHCJUFX-UHFFFAOYSA-N 301.781 2.516 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 40091351 UNTSFJDBXNEQLY-GDLCADMTSA-N 312.435 2.881 0 40 DFAB NC(=O)c1ccccc1OCc1noc(-c2ccc(F)cc2)n1 31638361 ZFRLIBICWGLLQP-UHFFFAOYSA-N 313.288 2.554 0 40 DFAB O=C(NCc1ccc(N2CCCCC2)nc1)NCc1ccco1 40539898 VTBBCNZGFAPART-UHFFFAOYSA-N 314.389 2.664 0 40 DFAB O=C(NCCc1nnc2ccccn12)c1cc2ccccc2s1 11546847 BKHJOFICHPYSCJ-UHFFFAOYSA-N 322.393 2.917 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)c2cc(C)oc2C)cc1 29229093 KOZCUTSLZVWLFQ-UHFFFAOYSA-N 316.357 2.664 0 40 DFAB CCOc1ccc(Nc2ccc(N)c(S(=O)(=O)O)c2)cc1 4522683 GOKRPRJULNBFNL-UHFFFAOYSA-N 308.359 2.658 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1nsc(Cl)c1Cl 4889903 TWVPMZLNDWSKBI-UHFFFAOYSA-N 311.190 2.521 0 40 DFAB CCCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 4934520 GBUROWTYPOKMAU-OAHLLOKOSA-N 303.406 2.908 0 40 DFAB C=CC(=O)NCCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 91803880 FQINMZJNYUZJCK-AWEZNQCLSA-N 314.429 2.650 0 40 DFAB Cc1cc(C)c(C(=O)CSc2nc(N)cc(N)n2)cc1C 2622937 FUCKRFCNUPNOIX-UHFFFAOYSA-N 302.403 2.541 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NC1CCN(C2CC2)CC1 9710407 WRBMZJNMYRMZFO-UHFFFAOYSA-N 307.825 2.766 0 40 DFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 2771496 JIYIZZKQWJSONI-JKSUJKDBSA-N 307.357 2.828 0 40 DFAB O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc[nH]n1 89878977 OZLCGGXREAKNNB-OAHLLOKOSA-N 312.760 2.978 0 40 DFAB O=C(NCCCCn1ccnc1)C1(c2ccc(F)cc2)CC1 41509067 NHQYTMROWBGTOZ-UHFFFAOYSA-N 301.365 2.650 0 40 DFAB CCCOc1cccc(CNS(=O)(=O)c2ccc(N)cc2)c1 8020114 NAAJEWBNMPJMST-UHFFFAOYSA-N 320.414 2.536 0 40 DFAB COc1ccc(CCNC(=O)c2cccc(OC)c2OC)cc1 28198074 RCNZERHHPNKBBH-UHFFFAOYSA-N 315.369 2.685 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 42513713 VMYMLVLUUJKSBR-LLVKDONJSA-N 317.776 2.517 0 40 DFAB O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccccc2)c[nH]1 61720077 YGSQPJADNWJSMK-UHFFFAOYSA-N 321.336 2.601 0 40 DFAB CN1CCN(C(=O)CCc2nccs2)[C@@H](c2ccccc2)C1 55158466 NRMICHYNDZAZJS-OAHLLOKOSA-N 315.442 2.591 0 40 DFAB O=C1COc2cc3cc(C(=O)c4ccccc4O)cnc3cc2N1 24926948 ILRMINKQOPEEBQ-UHFFFAOYSA-N 320.304 2.502 0 40 DFAB Cc1csc(N2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 107312075 SYUOVECRSNIAQY-KKUMJFAQSA-N 319.474 2.926 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1ccc([S@@](=O)C(C)C)cc1 110663251 OJEFWQZFTBRZEB-LRAJWGHMSA-N 310.415 2.927 0 40 DFAB O=C(O)[C@@H]1CCCN1Cc1cc(F)ccc1Br 35300607 CIPNWFXJYSAXOZ-NSHDSACASA-N 302.143 2.637 0 40 DFAB Cc1ccccc1OCCNC(=O)[C@@H](c1ccccc1)N(C)C 66048795 HLNJAVKZLIMRFP-GOSISDBHSA-N 312.413 2.793 0 40 DFAB Fc1ccc(CNCc2ccnc(-n3cccn3)c2)c(F)c1 58232246 XRRJMQMTRXIUIX-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB Cc1csc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)n1 44967492 QCNSSTAZBOPNGD-UHFFFAOYSA-N 319.386 2.522 0 40 DFAB COc1ccc(S[C@H](C)C(=O)NCCCn2cccn2)cc1 44977274 AVKCHAHKKMHNAC-CYBMUJFWSA-N 319.430 2.579 0 40 DFAB CC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 10566247 VBOKSRZSXXVCPI-UHFFFAOYSA-N 323.352 2.540 0 40 DFAB Cc1ccsc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 11006455 HODKAXLXTSOEQN-LBPRGKRZSA-N 321.423 2.705 0 40 DFAB COC(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C 48369010 HTYALTUJARZGSQ-LLVKDONJSA-N 313.419 2.528 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1F 3435317 FSZSHUQSUDHCME-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COc1ccccc1CNC(=O)COc1ccc(C(C)=O)cc1 3504318 MDAGMQJBRBKBSV-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB C[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 49167895 ZEOJBVHUPURKMT-QMMMGPOBSA-N 312.211 2.922 0 40 DFAB CC(C)CCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 69351063 SBHGFTYJSBHESW-INIZCTEOSA-N 302.418 2.844 0 40 DFAB CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4084526 KLKXTGMHQJPXQU-HNNXBMFYSA-N 302.374 2.716 0 40 DFAB biogenic Cn1c(CCNC(=O)CC2CCCC2)nc2c(F)cccc21 69810956 DRUQPXDUTQLILF-UHFFFAOYSA-N 303.381 2.951 0 40 DFAB Cc1nc([C@H](NC(=O)Cc2ccccc2)c2ccccc2)n[nH]1 69520220 XJFUKSYKXHHEJM-QGZVFWFLSA-N 306.369 2.561 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)C)c23)C1 5334039 OFFUGVYTDPCWFB-SECBINFHSA-N 321.471 2.996 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1c(=O)n(CC)c2ccccc21 14145752 KDZXBPNXVAWXAI-CQSZACIVSA-N 317.433 2.908 0 40 DFAB COCCNc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5478086 YRBZKZIDQSJXDZ-SECBINFHSA-N 317.418 2.522 0 40 DFAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)OCO2 14484593 ICWWIRGTGATEAM-SNVBAGLBSA-N 309.325 2.783 0 40 DFAB CCc1nnc(SCC(=O)N(C)c2ccccc2)n1CC 20034345 IPZCUEFAZMMITD-UHFFFAOYSA-N 304.419 2.616 0 40 DFAB CSc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC2CC2)c1 6610289 IAHWEDQBKFTRNE-MRVPVSSYSA-N 313.806 2.886 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1F 5634078 NZWBQGLZAHMHRT-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB CC(C)CCNC(=O)CSc1nncn1-c1ccccc1F 4890520 RDAMYCHCJBLLNM-UHFFFAOYSA-N 322.409 2.661 0 40 DFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccsc1 7225958 KCJXFCOLCMOSCM-AWEZNQCLSA-N 301.367 2.925 0 40 DFAB CCc1ccc(NS(=O)(=O)c2c(C)nn(CC)c2C)cc1 28577614 BMFDIXODBNLGKX-UHFFFAOYSA-N 307.419 2.883 0 40 DFAB CCOC1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 96417406 XPUYOYITWOAAMZ-MRXNPFEDSA-N 322.836 2.946 0 40 DFAB COC(=O)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 9501306 BHEHRJOGPYZBNA-UHFFFAOYSA-N 313.353 2.571 0 40 DFAB Cc1ccsc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 71858766 KAZWKQKKTWJIFK-UHFFFAOYSA-N 316.361 2.911 0 40 DFAB COc1ccccc1[C@@H](C)CC(=O)N[C@H]1CCc2nccn2C1 72254874 QBPKKYHUPIEBBJ-KBPBESRZSA-N 313.401 2.517 0 40 DFAB CCc1cccc(OC[C@H](O)CNC[C@H]2CCCCS2)c1 97014514 UAMUBOIIRGSFGC-NVXWUHKLSA-N 309.475 2.864 0 40 DFAB CC[C@H]1C[C@H](C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 97084765 YDDCGYZNSWYHFO-HIFRSBDPSA-N 314.389 2.626 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2scnc2C)cc1 97113279 CEUURGYWYLKNEE-GFCCVEGCSA-N 324.471 2.712 0 40 DFAB O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CCC[C@H]1CO 84335462 ZAIDASSXKAVQOQ-ZANVPECISA-N 318.200 2.649 0 40 DFAB COC(=O)CCN(C(=O)c1nccc2ccccc12)C(C)C 79050803 YNYGSAHBMPNGST-UHFFFAOYSA-N 300.358 2.649 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCCCC1 95458930 DOXSOWDLGNOEPF-OAHLLOKOSA-N 305.422 2.517 0 40 DFAB CSc1cc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccn1 95995746 KNPPYMHGDLRRMB-OCCSQVGLSA-N 320.462 2.752 0 40 DFAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)nc1 75127632 NQGVQZAMSHCRIY-LBPRGKRZSA-N 302.717 2.975 0 40 DFAB COCCOc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cn1 75108105 ZIWUXDWTZPZJEN-LBPRGKRZSA-N 307.394 2.759 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)c1cccc(Cl)c1 65224824 CDOVBPOEKUJGAC-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1cccc2c(O)cccc12 408712761 OEKPNWSFVOTENX-UHFFFAOYSA-N 318.336 2.530 0 40 DFAB CC[C@@H](NC(=O)NCCCn1cc(C)cn1)c1nc(C)cs1 78518503 LJMGMCGIYXMAIL-CYBMUJFWSA-N 321.450 2.797 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(O)c(Cl)c1 32975334 OKTPDNFEYWMXPW-UHFFFAOYSA-N 305.717 2.704 0 40 DFAB COc1ccccc1Nc1cc(C(F)(F)F)nc2ncnn12 35314619 DPDILIRJPUPJQT-UHFFFAOYSA-N 309.251 2.895 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72376781 MMHKUBXMDRAHOP-OAHLLOKOSA-N 314.364 2.938 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1Cl 72227929 QUNXBYSPIATUPI-CABCVRRESA-N 320.751 2.903 0 40 DFAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1F 32958121 XBHSGEMOLLQLHF-UHFFFAOYSA-N 323.389 2.834 0 40 DFAB Cc1csc(N(C(=O)c2cn3ccnc3s2)C2CC2)n1 188745928 PWSZJWKKYVVOKE-UHFFFAOYSA-N 304.400 2.970 0 40 DFAB O=S(=O)(c1cccc2cccc(Cl)c12)N1CCOCC1 35685558 BHWXMPIPUABWQE-UHFFFAOYSA-N 311.790 2.514 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2cncn2C)n1 72355631 DJNQDAOCSNEFIB-QGZVFWFLSA-N 322.416 2.646 0 40 DFAB O=C(/C=C/c1ccccc1)NCc1ccnc(N2CCCCC2)n1 211101248 PLSAZGZWMUOTDO-MDZDMXLPSA-N 322.412 2.797 0 40 DFAB COc1ccc(Cn2cc(-c3ccc(OC)cc3)ncc2=O)cc1 43198555 LUGBCKAAWWWRKA-UHFFFAOYSA-N 322.364 2.976 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1Br 41091686 HRDPPWDSQVPXBQ-UHFFFAOYSA-N 318.236 2.850 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](Oc2cnccn2)C1 225471924 ANFBRAQJVYLHHJ-SNVBAGLBSA-N 323.805 2.875 0 40 DFAB CS(=O)(=O)c1nccn1CSCc1ccc(Cl)cc1 225553091 WXJDVNDLWOOMAW-UHFFFAOYSA-N 316.835 2.831 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 226389469 QZIGTFQURZURKZ-BLONOQDTSA-N 322.408 2.672 0 40 DFAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC(C)C)n1 225889623 ZLKPMOJOVBALRE-LLVKDONJSA-N 307.467 2.716 0 40 DFAB O=C(NCCSCc1ccco1)c1ccc2c(c1)OCCO2 225399259 MYBCAVPIFQVYPR-UHFFFAOYSA-N 319.382 2.714 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)(C)C 223058201 UUUKLBKAVXDXJQ-CYBMUJFWSA-N 320.433 2.737 0 40 DFAB COc1ccccc1N1CCN(c2cc(C)nc(C3CC3)n2)CC1 264624584 JEFHOZCLHKMSME-UHFFFAOYSA-N 324.428 2.998 0 40 DFAB O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(CC1CC1)C2 96159691 ZTHKIUZFUMZJQL-GOSISDBHSA-N 302.393 2.660 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1 96158151 WQGMXJBSPDVBNH-IBGZPJMESA-N 322.412 2.609 0 40 DFAB Cn1ccnc1-c1cccc(NC(=O)NCCc2cccnc2)c1 96413399 IRPNPVGKZMQVMA-UHFFFAOYSA-N 321.384 2.846 0 40 DFAB CS(=O)(=O)CCCN[C@H](c1ccccc1)c1cccc(F)c1 96476401 HUBMMBRAYNFCKC-QGZVFWFLSA-N 321.417 2.939 0 40 DFAB Cc1cccc(CN2CC[C@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 96159616 MCOPFSFIVQAZPQ-LJQANCHMSA-N 314.429 2.602 0 40 DFAB CC[C@H](C)[C@@H](C(=O)NCCCN1CCOC1=O)c1ccccc1 96408429 GKVRJPKKMQAVMV-GOEBONIOSA-N 318.417 2.775 0 40 DFAB CCCCc1nc(C)sc1C(=O)NCCCn1ccnc1 95480147 IAZZVQOQKHSDBP-UHFFFAOYSA-N 306.435 2.811 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@H]2c2cnccn2)cc1F 257225206 FFHFEAVYFBCEJN-HNNXBMFYSA-N 315.348 2.531 0 40 DFAB COc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1F 257327763 XCPDKNPBIAYOSN-RDJZCZTQSA-N 309.381 2.604 0 40 DFAB Cc1ccc(C)c(N2CCN(Cc3ncnn3C(C)C)CC2)c1 279883488 CXBVXYHSLWGOHL-UHFFFAOYSA-N 313.449 2.798 0 40 DFAB O=C(NCc1cccc(C(=O)NC2CC2)c1)C(F)=C1CCC1 585140176 NJMDBYFMIMSTTP-UHFFFAOYSA-N 302.349 2.603 0 40 DFAB Cc1ccccc1[C@@H](C(=O)O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 581202113 JGLCULWPAZBBSM-KSZLIROESA-N 317.429 2.994 0 40 DFAB COCCCNC(=O)CCc1ncc(-c2ccccc2F)o1 44894231 HUTVCILBDFAQBV-UHFFFAOYSA-N 306.337 2.566 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC(Oc2ccccc2)CC1 55976287 ZMCZUGXKDDDKMI-UHFFFAOYSA-N 300.358 2.975 0 40 DFAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 69951700 USDZCEVANCWRAK-CABCVRRESA-N 305.422 2.739 0 40 DFAB Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 69949434 POVUWOWQCWKPDJ-NSHDSACASA-N 306.435 2.767 0 40 DFAB CN(CC(=O)NC(=O)NC1CC1)c1ccccc1-c1ccccc1 63618031 SNPWGIHHEAHGRQ-UHFFFAOYSA-N 323.396 2.778 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)OC 5278230 RTJRJJAYQDFMTN-KCXAZCMYSA-N 318.417 2.951 0 40 DFAB NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 5361527 PMXQBUVPMCXDIK-UHFFFAOYSA-N 311.410 2.856 0 40 DFAB O=C(Nc1ccc2ccccc2c1)O[C@@H]1CCS(=O)(=O)C1 5758332 AOUHEQBNDYISTF-CQSZACIVSA-N 305.355 2.575 0 40 DFAB Fc1ccc(NCc2nnc(S)n2Cc2ccco2)cc1 13534730 OFBLSBCCDICBOZ-UHFFFAOYSA-N 304.350 2.959 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)c3cccc(OC)c3)ccc21 17288908 SPXUOQOBDTVOHB-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)[C@H]1CCOC1 206668673 LTZJXISSRGMUTR-VIFPVBQESA-N 305.359 2.651 0 40 DFAB O=C(C1CCC1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732356 ATXWBPLUMKYNDM-LBPRGKRZSA-N 314.307 2.880 0 40 DFAB CO[C@@H]1CCN(Cc2cncn2C)C[C@H]1Cc1cccc(F)c1 643914437 RDPFMYIKVJNOIN-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1 14617009 KZAOEMMZRGEBST-IXVOVUJJSA-N 300.402 2.811 0 40 DFAB biogenic O=C(N[C@H](Cc1ccsc1)c1cccnc1)C1CCOCC1 19337992 ARZQPQPZWITFRT-MRXNPFEDSA-N 316.426 2.970 0 40 DFAB COc1cccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 30029031 KVOSSKDAAALWHT-SFHVURJKSA-N 310.397 2.824 0 40 DFAB Cc1cc([C@@H](C)NC(=O)Cn2c(C)csc2=O)c(C)s1 31951385 CCASWCCWEFIGEN-SNVBAGLBSA-N 310.444 2.774 0 40 DFAB CCN(CCO)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 37854301 RGSMYRJCTWLPRF-VIFPVBQESA-N 306.189 2.602 0 40 DFAB CCOc1cc(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)ccc1O 11694730 RSCHVJAMHASBCR-UHFFFAOYSA-N 313.313 2.736 0 40 DFAB O=C(/C=C/c1ccoc1)NC[C@H](c1ccsc1)n1cccn1 575614630 ZJIGZDUEKNGYRD-XYBNCVKDSA-N 313.382 2.957 0 40 DFAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100173614 YGXYDYAYCQSPGI-MPTQWLOMSA-N 303.745 2.563 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 40534717 ZDOYTAQPYPKMTH-CQSZACIVSA-N 322.474 2.692 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)C[C@@H](C)O1 40540522 ZVFHXZOFXWZMBC-AOOOYVTPSA-N 300.305 2.929 0 40 DFAB Cc1nnc2ccc(C(=O)N(C)CCCOc3ccccc3)cn12 69454515 SVUDCNZMZYUKFJ-UHFFFAOYSA-N 324.384 2.579 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 4263716 XUUMJMMQAPWYAE-CPUCHLNUSA-N 305.418 2.607 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(O)c1 6747788 DJLQDWYWDMAVPS-QGZVFWFLSA-N 305.337 2.957 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c2[nH]ncc2c1 69420746 MJYFTPQTPUNTOO-AWEZNQCLSA-N 309.373 2.545 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cnc3ccccc3n2)c1 8390858 CJFJPPLYQURCMY-UHFFFAOYSA-N 306.325 2.841 0 40 DFAB COc1ccc(-c2nc3ccc(NS(C)(=O)=O)cc3o2)cc1 8586686 GFQUAAMECZBDNA-UHFFFAOYSA-N 318.354 2.875 0 40 DFAB aggregator O=C1NC(=S)N/C1=C/c1ccc(Sc2ccccc2)o1 448609 IOUMSXQYZSOOCX-DHZHZOJOSA-N 302.380 2.776 0 40 DFAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2nc(C)sc2c1 32981812 VGVLKQSWFSFOPK-SDBXPKJASA-N 320.418 2.626 0 40 DFAB COc1ccc(CCNC(=O)CNc2ccc(C)cc2F)cc1 21888875 FYIBQTQJYXFDFC-UHFFFAOYSA-N 316.376 2.914 0 40 DFAB NC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCC2 568703 CCDQNBGNAIKACK-UHFFFAOYSA-N 321.789 2.636 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1C 103110727 VIUNBJQHIAXVNI-UHFFFAOYSA-N 309.325 2.910 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1Cc2ccccc2O1 22490457 YWQCGYDXOMGLEB-KRWDZBQOSA-N 321.380 2.615 0 40 DFAB Cc1cc2c(nc1C)sc1c(N3CCOCC3)ncnc12 12389092 YDXQEMWIQOXPKS-UHFFFAOYSA-N 300.387 2.693 0 40 DFAB COc1ccc(CC(=O)N(C)Cc2c(C)noc2C)cc1F 47643412 SVRIDUJMIWTKTP-UHFFFAOYSA-N 306.337 2.640 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1C 52410802 GPOHQHNPZFBWLC-UHFFFAOYSA-N 313.309 2.763 0 40 DFAB CCOCCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736679 JWIUKNGNPMMJKG-UHFFFAOYSA-N 300.358 2.936 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C 25754628 PYFWJFIQKISBDZ-CVEARBPZSA-N 320.477 2.988 0 40 DFAB CCCCNC(=O)C[S@@](=O)Cc1ccc(F)cc1Cl 58132257 YZHJUZTXURMXIW-LJQANCHMSA-N 305.802 2.644 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)CNC(=O)CC(C)(C)C)cc1 58213222 BDZOVANDMMFRQA-UHFFFAOYSA-N 319.405 2.526 0 40 DFAB CN(CCCc1ccccc1)C(=O)c1ccnc(-n2ccnc2)c1 58277833 QFINUOLJCNHWCX-UHFFFAOYSA-N 320.396 2.972 0 40 DFAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C(C)C)cc2)no1 44947727 LFHDXEWTAZDANY-UHFFFAOYSA-N 322.386 2.519 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)NC[C@H](c1cccs1)N(C)C 44966434 CFILHGZTSFIAIT-LLVKDONJSA-N 307.423 2.512 0 40 DFAB O=C(c1ccccn1)N1CCN(c2ccc3ccccc3n2)CC1 36392025 DNDJAFNOLSEUFE-UHFFFAOYSA-N 318.380 2.592 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 12816604 KMGQHGKXIXJFPD-AWEZNQCLSA-N 314.316 2.899 0 40 DFAB c1ccc(-n2nnnc2Oc2ccc(-n3ccnc3)cc2)cc1 3490992 CBVWHRCGFLHGCV-UHFFFAOYSA-N 304.313 2.640 0 40 DFAB O=C1CCCCCN1C[P@@](=O)(O)C1Cc2ccccc2C1 3656411 FSCLHCUGNYAWIR-UHFFFAOYSA-N 307.330 2.784 0 40 DFAB CC[C@@H](Oc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1 13022171 BXCFFHOPQBENHV-CQSZACIVSA-N 305.374 2.748 0 40 DFAB COC(=O)c1sc2ccccc2c1CSc1n[nH]c(N)n1 69566264 JUAHFDWACIZAQL-UHFFFAOYSA-N 320.399 2.681 0 40 DFAB Cc1ccc(N2C[C@@H](c3noc(-c4cc(C)n[nH]4)n3)CC2=O)cc1 49060504 MXRGTEBLKYJSCQ-LBPRGKRZSA-N 323.356 2.597 0 40 DFAB CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)cnn2c1N 20417203 ULVSJJJVBRLSIX-UHFFFAOYSA-N 316.748 2.809 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CN[C@H](C)Cn2cnc(C)c2C)n1 93398710 BNVGKPKGDSKECI-GXTWGEPZSA-N 303.454 2.628 0 40 DFAB CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 4599356 GTXWMYDMGGSQOD-UHFFFAOYSA-N 318.236 2.870 0 40 DFAB C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(F)cc1F 66173606 NLNXJLQGUUBAFS-TZMCWYRMSA-N 323.387 2.906 0 40 DFAB O=C(NCCOc1ccccc1)c1c[nH]nc1-c1ccccc1 8748179 WQWKZDPZQOSNCC-UHFFFAOYSA-N 307.353 2.886 0 40 DFAB CSc1sc(NS(=O)(=O)c2ccccc2)nc1C 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CC(C)(C)C(=O)NCC(=O)N1CCCC[C@H]1Cc1ccccc1 75582375 RAOHJMZOBDKXHM-INIZCTEOSA-N 316.445 2.773 0 40 DFAB CN(C)Cc1ccnc(NCc2ccccc2-n2cccn2)c1 97045288 QBCCRJPGJPBEKN-UHFFFAOYSA-N 307.401 2.941 0 40 DFAB CCC(CC)[C@H]1C[C@H](NC(=O)NCc2cnn(C)c2C)CCO1 97048327 XPWLCCNEMCMPCF-HZPDHXFCSA-N 322.453 2.512 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N1CC[C@@]2(CCOC2)C1 97014119 FZFULSJNDNREEO-LEOMRAHMSA-N 300.402 2.755 0 40 DFAB COc1ccc(OC)c(NC(=O)Nc2c(C)nn(C)c2C)c1 27927152 LCOGZKBBLAHLNA-UHFFFAOYSA-N 304.350 2.698 0 40 DFAB COCCC1(CNC(=O)NCc2cnc(C)s2)CCCC1 84290629 NQZZXORDMXXWFZ-UHFFFAOYSA-N 311.451 2.848 0 40 DFAB CC1(C)CNCCN1Cc1ccc(OCc2cscn2)cc1 97165815 KMHFOCGYRKKOGW-UHFFFAOYSA-N 317.458 2.906 0 40 DFAB CCn1cc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cn1 97139870 NHZYSUZHGRIWTK-VIFPVBQESA-N 317.418 2.991 0 40 DFAB Cc1cccc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n1 97198065 CFGBXCFWLKKSOF-CYBMUJFWSA-N 312.417 2.629 0 40 DFAB CCOC(=O)c1cccnc1N(C)C(=O)c1cccc(F)c1 72310541 CVLAAKADWYMGBB-UHFFFAOYSA-N 302.305 2.674 0 40 DFAB Cn1ccnc1CNC(=O)Nc1ccccc1CC(F)(F)F 76081787 JDWQGDPXXSHMBF-UHFFFAOYSA-N 312.295 2.847 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CCc2c(O)cccc21 78646377 FRYUQMTUTULTOS-XPTSAGLGSA-N 300.358 2.904 0 40 DFAB c1coc(CN(C[C@@H]2CCCO2)c2ccc3nccnc3n2)c1 95421580 AYMCKLYZEURKSV-AWEZNQCLSA-N 310.357 2.803 0 40 DFAB CSc1ccc(CNC(=O)c2c[nH]c(C)cc2=O)cc1C 95413076 ASIIYPGMIUAJPS-UHFFFAOYSA-N 302.399 2.644 0 40 DFAB COc1ccc(CNC[C@H]2CCO[C@@H](C)C2)c(OC)c1OC 95457714 GQWRTRONYIBVOA-STQMWFEESA-N 309.406 2.617 0 40 DFAB CC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1 95427614 RXKHWHUTWXQCGM-GFCCVEGCSA-N 312.369 2.712 0 40 DFAB C[C@H](NC(=O)C[C@H]1CSCCS1)c1nc2ccccc2[nH]1 95434803 UEBKTXXPJLBCOD-QWRGUYRKSA-N 321.471 2.979 0 40 DFAB Cn1ncc(COc2ccccc2-c2nc[nH]n2)c1C(F)(F)F 95437219 JMEBQXYATGVPHG-UHFFFAOYSA-N 323.278 2.803 0 40 DFAB CCOc1nccnc1NCc1ccc(N2CCCC2=O)cc1 95460606 XNQPTOGMGXZHNE-UHFFFAOYSA-N 312.373 2.614 0 40 DFAB CSc1cccc(NC(=O)C(=O)NNc2ccccc2F)c1 95945385 PDXBZXHBNVXNRY-UHFFFAOYSA-N 319.361 2.629 0 40 DFAB C[C@@H](N[C@H]1CCOC1)c1ccc(NC(=O)c2ccncc2)cc1 95967990 UETWBNRSXBKMLS-DYVFJYSZSA-N 311.385 2.773 0 40 DFAB O=C(C[C@@H]1COCCN1C(=O)c1cccs1)c1ccccc1 95965409 OUEWRZDGZQXXJN-CQSZACIVSA-N 315.394 2.862 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1csc(-c2ccccn2)n1 95996800 YWUQWDFKEKYPNK-NSHDSACASA-N 321.402 2.585 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@@H](O)C1 74325303 NOWGKVALNFPLJH-SJORKVTESA-N 314.360 2.572 0 40 DFAB CCc1ccc(NC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)cc1F 89286468 JBTPVYBZUZINIX-CYBMUJFWSA-N 321.396 2.720 0 40 DFAB CCc1nc(C(=O)N2CCN(CC3CC3)c3ccccc32)c[nH]1 89279854 XMPWSJWHKSGECG-UHFFFAOYSA-N 310.401 2.849 0 40 DFAB Cc1cccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 20512016 GYNFIPWTBAKVIZ-UHFFFAOYSA-N 324.424 2.718 0 40 DFAB CNC(=O)Cc1ccc(-c2noc(C[C@@H]3CC=CCC3)n2)cc1 1548454014 WENAUOUCEPMLQV-CYBMUJFWSA-N 311.385 2.924 0 40 DFAB Cc1noc(C)c1CO[C@@H]1CCN(Cc2c(F)cncc2F)C1 1548451638 NUMPHLVPENMUPO-GFCCVEGCSA-N 323.343 2.756 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2)CN1CCCCC(=O)N(C)C 79090609 GCWDDRCEADKUPK-WBVHZDCISA-N 304.434 2.707 0 40 DFAB CC1CCN(C(=O)c2ccc(N3CCSCC3)nc2)CC1 79029458 YULMKNATSIVJAO-UHFFFAOYSA-N 305.447 2.507 0 40 DFAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccs1 72324374 NVYFTYVBAPLPLM-LLVKDONJSA-N 316.382 2.865 0 40 DFAB CC(C)n1nccc1-c1nnc(NC(=O)Cc2ccccc2)o1 38871604 MDSNXOOXCMTICY-UHFFFAOYSA-N 311.345 2.695 0 40 DFAB CCc1n[nH]c(Sc2c(N)cc(C(=O)OC)cc2Cl)n1 70462534 KDENKYVUQVSVMY-UHFFFAOYSA-N 312.782 2.541 0 40 DFAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccccc3)nn2)c1 71764996 RCGYYQRBJBRJSI-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB Cc1nc(C)c(CN(CC(=O)O)Cc2ccc(F)cc2)s1 566364119 YYRGOQLUMPJRFJ-UHFFFAOYSA-N 308.378 2.986 0 40 DFAB C[C@](O)(CCc1ccccc1)CNC(=O)NCc1cccs1 62021528 OJWAVVGRBCGDEN-KRWDZBQOSA-N 318.442 2.931 0 40 DFAB O=c1cc[nH]c2c(I)cc(Cl)cc12 40566590 ROKKHCASWKGOAD-UHFFFAOYSA-N 305.502 2.786 0 40 DFAB COc1ccc(N2N[C@](C)(c3ccc(F)cc3)NC2=S)cc1 225347019 SJIQVGZFIXBJCC-MRXNPFEDSA-N 317.389 2.906 0 40 DFAB COc1ccc([C@@H](NC[C@@]2(O)CCOC2)c2ccccc2)cc1 225561613 UIMRGRXCUSGSHF-OALUTQOASA-N 313.397 2.526 0 40 DFAB COC(=O)[C@@H]1CC(=O)N(C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C1 45957845 WGNIVJQKVYYUOZ-DCUTXHCPSA-N 305.418 2.757 0 40 DFAB C[C@H](NC(=O)N(C)c1ccc(F)cc1)[C@@H](O)Cc1ccccc1 190794643 MPVLOWMODUZGCX-GUYCJALGSA-N 316.376 2.964 0 40 DFAB CC(C)c1ncc2c(n1)CCN([C@H]1Cc3ccccc3[C@H]1O)C2 527618273 CCKOYAQIOKAREK-ZWKOTPCHSA-N 309.413 2.616 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC(C)C 222654051 IAOWRKVMFIMXQT-HNNXBMFYSA-N 308.397 2.868 0 40 DFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCOC1 47717553 SVEIJRMYBWOTHC-JTQLQIEISA-N 317.216 2.900 0 40 DFAB CCOc1cccc(S(=O)(=O)N(C)Cc2cnccc2C)c1 225712333 DDZFWCXSHASJBR-UHFFFAOYSA-N 320.414 2.609 0 40 DFAB CCc1nc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cs1 331607272 VWWNGKVBRGVZIS-HUUCEWRRSA-N 316.426 2.583 0 40 DFAB OC[C@H](O)CNc1nc(-c2ccccc2C(F)(F)F)cs1 195571651 IYMFRDAWDHVBNV-MRVPVSSYSA-N 318.320 2.594 0 40 DFAB CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCO[C@@H]1c1cccnc1 331846897 GTVHRJREYGGIFJ-LSDHHAIUSA-N 317.776 2.732 0 40 DFAB COc1ccc(-c2nc(N(C)C)sc2CC(=O)O)c(C)c1 95097171 YTGUNXBOYQBEJL-UHFFFAOYSA-N 306.387 2.820 0 40 DFAB O=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107263 QPOSCRLDZYQRLM-AEFFLSMTSA-N 305.418 2.673 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)NC[C@H]1CCC[C@H]1O 96435041 YQYZCYDRNOKVIE-QMTHXVAHSA-N 311.813 2.689 0 40 DFAB CC(=O)c1ccc(CNC(=O)c2cc(Cl)ccn2)nc1C 96486150 LULDOHPGEHAUFY-UHFFFAOYSA-N 303.749 2.571 0 40 DFAB O=C(NCC1(O)CCC1)Nc1ccc(OC(F)(F)F)cc1 96415761 RGXNWWNWUZSJDO-UHFFFAOYSA-N 304.268 2.622 0 40 DFAB c1cnc(N2CCC[C@]3(CCCN3Cc3cccnc3)C2)nc1 96214899 KBFZZBMOGMNLIJ-SFHVURJKSA-N 309.417 2.507 0 40 DFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1n[nH]c2c1CCCCC2 96224272 MXYDAOULCNBWHZ-UHFFFAOYSA-N 322.372 2.716 0 40 DFAB O=C(Cc1cccc(Cl)c1)NC[C@H](O)c1ccccc1F 96445825 SSGLPPXYCBZWCJ-HNNXBMFYSA-N 307.752 2.871 0 40 DFAB CS(=O)(=O)NCc1ccc(NC(=O)C=C2CCCCC2)cc1 96410236 JDYHTBSAOKNOKH-UHFFFAOYSA-N 322.430 2.565 0 40 DFAB O=S(=O)(c1cccs1)N1CCC[C@@H](Cc2cccnc2)C1 257268881 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CCn1nc(C)c([C@@H](C)NC(=O)c2ccnn2C(F)F)c1C 19523779 IIYICDSNLOMTCU-MRVPVSSYSA-N 311.336 2.602 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 4263714 XUUMJMMQAPWYAE-VBQJREDUSA-N 305.418 2.607 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(c3ncc(F)cn3)C2)n1 1888843506 GJRDDOVAMAINHC-ZDUSSCGKSA-N 302.353 2.615 0 40 DFAB CCc1cc(N2CCN(c3nccc4ccccc34)CC2)ncn1 1888882024 SNUWKVCPTJPFPF-UHFFFAOYSA-N 319.412 2.914 0 40 DFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1CCC1 29804688 NLUFONIKPGOLIJ-INIZCTEOSA-N 322.836 2.630 0 40 DFAB CCCCC(=O)Nc1nnc(-c2cc(OC)ccc2OC)o1 12514222 PABQYSASIKXHJK-UHFFFAOYSA-N 305.334 2.883 0 40 DFAB Cc1ccc2oc(=O)c(S(=O)(=O)N3CCC[C@@H](C)C3)cc2c1 15862234 KAUZVEYHECLQRK-GFCCVEGCSA-N 321.398 2.522 0 40 DFAB C[C@H]1CCc2sc(C(=O)NCCNc3ncccn3)cc2C1 40088542 BHXGGWOIIWDYTO-NSHDSACASA-N 316.430 2.505 0 40 DFAB CC[C@H]1CCc2nc(NC(=O)[C@@H](NC(C)=O)C(C)C)sc2C1 40145868 DEYPGXPXUTVSGQ-FZMZJTMJSA-N 323.462 2.757 0 40 DFAB COCCN(CCCN(C)C)C(=O)Nc1ccc(Cl)cc1 31098124 LSSPYMQZVQTYBY-UHFFFAOYSA-N 313.829 2.772 0 40 DFAB CN(C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cn1 40488620 NTVJDHCQBAIZCP-UHFFFAOYSA-N 321.384 2.515 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)[C@H]1CCCO1 250918 WDSXTGDPLLZJLV-ZWNOBZJWSA-N 311.765 2.857 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 3319948 OQMJKGPOLZNEPK-UHFFFAOYSA-N 315.325 2.895 0 40 DFAB COc1ccccc1[C@@H]1C=C(c2cccnc2)Nc2ncnn21 101675316 MGJBPDAMYUTINF-HNNXBMFYSA-N 305.341 2.738 0 40 DFAB CCCOC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102063880 WSMLUFBVHVVRLX-HUUCEWRRSA-N 313.353 2.709 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 32738226 RDGPPCODTPTPOX-CYBMUJFWSA-N 316.401 2.623 0 40 DFAB CCn1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)n1 2798068 QLEMMBHYVFAITD-UHFFFAOYSA-N 310.357 2.796 0 40 DFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1nnc2n1CCCCC2 69484445 YIDNXHBWWMLOIC-ZIAGYGMSSA-N 319.453 2.725 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cccnc1Cl)c1cccs1 33026554 VFAQRLSDPMQRHM-NSHDSACASA-N 309.822 2.829 0 40 DFAB COc1cc(C2(C(=O)NCC[C@H]3CCCO3)CC2)ccc1C 69417235 OAANPGOJIKYFRM-OAHLLOKOSA-N 303.402 2.721 0 40 DFAB Cc1nccc(CNC(=O)N2CCC(c3ccccc3)CC2)n1 56472233 QWIPDDJQIBCMCC-UHFFFAOYSA-N 310.401 2.874 0 40 DFAB CCCCSCC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 33174753 GKWIUQZTPKRHOD-NSHDSACASA-N 322.430 2.728 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccsc2)cc1O 22002838 PBYDISGPFURMCC-UHFFFAOYSA-N 319.382 2.578 0 40 DFAB CC[C@H](COc1ccccc1F)NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110681496 WRFWTXHVKRRZKZ-UNIGVISCSA-N 322.380 2.602 0 40 DFAB O=C(NCc1cn2ccccc2n1)[C@H]1C[C@H]1c1ccc(F)cc1 23754374 AQBZWUKLFHHAFA-HOTGVXAUSA-N 309.344 2.893 0 40 DFAB CC(C)N(C)C(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 89869426 PAGUGYWNFJTDLB-INIZCTEOSA-N 320.408 2.730 0 40 DFAB COc1ccc(N)c(S(=O)(=O)Nc2ccccc2Cl)c1 3252542 MXZPWGICEHDMEI-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB CONC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 25826130 WWMHOKKZGMWCQN-UHFFFAOYSA-N 301.302 2.699 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 3325827 JUQXNRIBSPAGKJ-BBRMVZONSA-N 319.401 2.937 0 40 DFAB O=C(O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 35731168 VTXZXRBQSDVNCD-UHFFFAOYSA-N 302.511 2.642 0 40 DFAB in-vitro CCc1nc(CNCCNC(=O)c2ccc(C)c(F)c2)cs1 58217455 KBKCTCUKOQAXEY-UHFFFAOYSA-N 321.421 2.673 0 40 DFAB Cc1c([C@@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)cnn1C 58316304 KDDUNOFPHPMIFF-GFCCVEGCSA-N 321.384 2.677 0 40 DFAB Cn1nccc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 58419534 JUQNTGWXJKNTJV-UHFFFAOYSA-N 321.336 2.892 0 40 DFAB COc1c(CNCc2cccc3c2OCO3)c(C(C)C)nn1C 58421758 VPDXITKALQYWIZ-UHFFFAOYSA-N 317.389 2.571 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCN(c2nccs2)CC1 10668754 VHDGHTKWAVUXJU-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB O=C(COc1ccc(Cl)cc1Br)NC1CC1 3443030 QTAJIKWVMQZHKU-UHFFFAOYSA-N 304.571 2.760 0 40 DFAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2cccc(C)c2C)n1 12987656 OOAXZMSIFNISPM-CYBMUJFWSA-N 316.405 2.880 0 40 DFAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)C(C)(C)C)[C@@]2(O)C(F)(F)F 409176519 PYTHXMVZNBSUAX-KKFJDGPESA-N 306.328 2.918 0 40 DFAB Cc1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)co2)c(C)c1 69872064 LGTGYPMXKANJIQ-CQSZACIVSA-N 323.400 2.655 0 40 DFAB CC(C)c1nnc2sc(COc3ccc4c(c3)OCO4)nn12 20721860 VYZMANFTVJQUTE-UHFFFAOYSA-N 318.358 2.617 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)NCCCc1ccccc1 6128803 LLRBQSMKJMOFJV-UHFFFAOYSA-N 313.353 2.543 0 40 DFAB Cc1nc(C)c(-c2nnc(SCCCCC(N)=O)o2)s1 65724833 FMQBTSKMOYBIKM-UHFFFAOYSA-N 312.420 2.558 0 40 DFAB COc1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 6557235 GPWGQVRMHBBKRC-UHFFFAOYSA-N 324.336 2.505 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2ccno2)cc1OCC 6607210 TUIGGEFKVXSTDG-NSHDSACASA-N 304.346 2.963 0 40 DFAB Cc1nc(C(=O)NCc2cccnc2N2CCCCC2)cs1 66338376 UPPAJKQSXSUZNM-UHFFFAOYSA-N 316.430 2.767 0 40 DFAB COc1ccc(-c2nnc(Cn3c(=O)oc4ccccc43)o2)cc1 8876467 AABOGEBRBLYFCT-UHFFFAOYSA-N 323.308 2.701 0 40 DFAB CCOC(=O)c1nc2cccc(Cl)n2c1Br 15020391 WQUIGFCTOQNRJA-UHFFFAOYSA-N 303.543 2.927 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(Cc2ccccc2)c1 7069256 FFSQSLLQHRIHKN-UHFFFAOYSA-N 321.336 2.912 0 40 DFAB Cc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C1CC1 7030638 YJMBOHOITJWGCH-MRXNPFEDSA-N 320.400 2.886 0 40 DFAB Cc1cn2nc(NCc3ccnc(OCC4CC4)c3)sc2n1 67373573 ICPANAJOSNFLNT-UHFFFAOYSA-N 315.402 2.895 0 40 DFAB CC(=O)Nc1cccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)c1 90801840 LHTCVZBZKPQNSX-KSSFIOAISA-N 324.428 2.970 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)c1 90801837 LHTCVZBZKPQNSX-RDTXWAMCSA-N 324.428 2.970 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@H](O)c1ccccc1C(F)(F)F 69373829 MGIMRORVQGKWBX-FZMZJTMJSA-N 313.323 2.614 0 40 DFAB COc1ccc(C(=O)NCCc2cccc(F)c2F)c(O)c1 83927860 HYMTVQQEZNKKJP-UHFFFAOYSA-N 307.296 2.652 0 40 DFAB CCOc1ccc(CSc2nc(-c3ccccn3)n[nH]2)nc1 83203822 NIOWRGRQLBYSEP-UHFFFAOYSA-N 313.386 2.953 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1Cc1cnn(C)c1C(F)(F)F 96007342 BZZBHXSTUDVWPN-SECBINFHSA-N 324.306 2.890 0 40 DFAB CC[C@H](OC(=O)c1cccc(OC)c1)C(=O)Nc1cc(C)on1 9449784 PFNOFNZGUMMRBH-ZDUSSCGKSA-N 318.329 2.566 0 40 DFAB CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(C)on2)cc1 9496845 NJKUWEIUHZIKGL-LLVKDONJSA-N 302.330 2.982 0 40 DFAB C[C@H](NC(=O)NCCn1ccnc1)C(C)(C)c1ccccc1 71795674 NFELHEYZUIHTPT-AWEZNQCLSA-N 300.406 2.549 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2coc(Br)c2)cn1 71796799 DPAABBAREIHRRC-NSHDSACASA-N 324.178 2.753 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCOC1)[C@H](C)Oc1ccccc1 96455097 WCLWGNGUAAJTJY-KKUMJFAQSA-N 306.406 2.520 0 40 DFAB O=C(NCCC1=CCCCC1)N1CCC(N2CCCC2=O)CC1 71857155 OOEPTCDKUJSHMK-UHFFFAOYSA-N 319.449 2.673 0 40 DFAB CSC[C@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C 71908880 MVHXIOKXGDYTEN-GXFFZTMASA-N 316.417 2.683 0 40 DFAB Cc1cc(OCC(=O)N2CCCC[C@H]2c2nccs2)no1 72285818 MQLOHHZRYCYQEY-NSHDSACASA-N 307.375 2.572 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCc1ccc(-n2ccnc2)nc1 97159290 PYIHPPCOOSSVRF-UHFFFAOYSA-N 310.405 2.578 0 40 DFAB Cc1cc(C)cc([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)c1 97108013 HQSZOTRYSPYOOO-OAHLLOKOSA-N 310.397 2.930 0 40 DFAB Cc1cc(OCC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)no1 72303709 DEBRUJUAJNXYRA-HNNXBMFYSA-N 320.364 2.884 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2CCOC[C@@H]2CCCO2)no1 76020937 KHRLAPQILIKRLD-KBPBESRZSA-N 309.410 2.526 0 40 DFAB O[C@@H](CN1CCc2c(ncn2C2CC2)C1)c1cc(F)ccc1F 95373357 NKQFGBHOUJSHMA-KRWDZBQOSA-N 319.355 2.588 0 40 DFAB COCc1ccccc1CNC(=O)C[S@](=O)C1CCCCC1 95417850 ZFFZXKGLBPXQTI-JOCHJYFZSA-N 323.458 2.531 0 40 DFAB O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCn2cncc2C1 95977961 OWWOTSBGIRLNFI-ZETCQYMHSA-N 316.308 2.560 0 40 DFAB COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC(C)CC1 95985413 SIKKVEYTVOJZSP-CYBMUJFWSA-N 308.397 2.743 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c[nH]nc1C 95956769 MJEUMKVWUUDWSD-MRXNPFEDSA-N 310.357 2.621 0 40 DFAB C[C@@]1(CO)CCCN(Cc2c(C3CC3)nc3sccn23)C1 95986725 CAPIWIPPFKHMAY-MRXNPFEDSA-N 305.447 2.868 0 40 DFAB COc1ccc([C@@H](C)CCNC(=O)N2CCC[C@H](CO)C2)cc1 74584635 CQXIOECBPDNXLR-GJZGRUSLSA-N 320.433 2.603 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccncc2)CC1 75123049 ZDWSQDMWBKJDCQ-RBUKOAKNSA-N 321.424 2.530 0 40 DFAB CN(C)c1nc(CNc2c(F)cccc2-n2cccn2)ns1 89660260 CLROBBDIGVCSGK-UHFFFAOYSA-N 318.381 2.541 0 40 DFAB C[C@@H](NCCN1C(=O)CCC1=O)c1ccccc1C(F)(F)F 89683610 DFUXMGIRARANPD-SNVBAGLBSA-N 314.307 2.505 0 40 DFAB Cn1c2ccccc2n2c(SC[C@H]3CCCCO3)nnc12 89749609 YSEODGIJKJLJRH-LLVKDONJSA-N 302.403 2.882 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(CCc2cccnc2)C1 172156706 FZXTVEKQDPAFGR-OAHLLOKOSA-N 305.422 2.613 0 40 DFAB O=C(O)CN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 409141646 JKGFZVIGGUMZJG-RUDMXATFSA-N 315.709 2.600 0 40 DFAB O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCCC1 36612942 SBAZZYLFPPLLJO-UHFFFAOYSA-N 305.765 2.809 0 40 DFAB Cc1ccc(N2CC(O)=C(C(=O)Nc3ccccc3)C2=O)cc1 217439764 YRXMZGDPRGOZBL-UHFFFAOYSA-N 308.337 2.792 0 40 DFAB CC(C)CC(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 38890571 PPRJNMHIVZXTJP-UHFFFAOYSA-N 307.463 2.711 0 40 DFAB Cn1ncc(C(=O)Nc2ccccc2)c1C(=O)Nc1ccccc1 36617895 ZHGOQPFOOIIPHU-UHFFFAOYSA-N 320.352 2.925 0 40 DFAB O=C(Nc1ccncc1)C1CCC(C(=O)Nc2ccncc2)CC1 32904307 CEYTVUOEIVNSAK-UHFFFAOYSA-N 324.384 2.860 0 40 DFAB CCN(CC)C(=O)C1CCN(Cc2ccncc2Cl)CC1 75675277 YMLYRHWQUPFRMP-UHFFFAOYSA-N 309.841 2.815 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)Nc1cccs1 38630631 LLOHZPLIOMSVGG-GFCCVEGCSA-N 321.402 2.536 0 40 DFAB Cc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 39957006 RNKMXKMHEYVYLH-INIZCTEOSA-N 313.353 2.917 0 40 DFAB Cc1nccnc1OCC1CCN(C(=O)OC(C)(C)C)CC1 72203649 UUUWXRNABSTYDU-UHFFFAOYSA-N 307.394 2.811 0 40 DFAB COc1ccc(CN(C)C(=O)COc2cccnc2Cl)cc1 77494664 PLIRRESDRHWPRJ-UHFFFAOYSA-N 320.776 2.781 0 40 DFAB Cc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 39957009 CSDULTGTPASESO-MRXNPFEDSA-N 313.353 2.917 0 40 DFAB CCS(=O)(=O)C[C@H](C)N[C@H]1CC[C@@](C)(c2ccccc2)C1 188196509 ZZNDKQCHTMSQFU-BHYGNILZSA-N 309.475 2.910 0 40 DFAB Cc1ccc(CN2[C@H]3CC[C@@H]2Cc2nc(C)nc(O)c2C3)cc1 72372997 CAJMEUNSOJSNPG-JKSUJKDBSA-N 309.413 2.931 0 40 DFAB Cc1nn(C)c(C)c1CCc1nc(COc2ccccc2)no1 78773742 ASVPMHHKIFABHN-UHFFFAOYSA-N 312.373 2.784 0 40 DFAB Cc1ccc(C(C)C)cc1OCC(=O)NCCC1(CO)CC1 562629456 PQFIUCIDEZKKFR-UHFFFAOYSA-N 305.418 2.776 0 40 DFAB CCOCc1cccc(S(=O)(=O)NCc2ccccc2F)c1 72241224 MYXKXOJKCSZAPN-UHFFFAOYSA-N 323.389 2.841 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1 42646071 ALRKFHCVQRAHDF-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB Cc1cc(C(=O)N(CC(F)(F)F)C2CC2)ccc1-n1cncn1 80899844 KOGVLSWIYSWUMO-UHFFFAOYSA-N 324.306 2.743 0 40 DFAB C[C@@H](c1cnccn1)N1CCC(NC(=O)OC(C)(C)C)CC1 44029895 GJRVSVWJOAWVAA-LBPRGKRZSA-N 306.410 2.527 0 40 DFAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccco1 225584574 NXEPSIYOAVXQEX-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB O=C1Cc2cc(NS(=O)(=O)/C=C/c3ccccc3)ccc2N1 49506677 IISUUQZOCXLPQX-CMDGGOBGSA-N 314.366 2.594 0 40 DFAB Cc1cc(N2CCCC2)nc(COc2ccc(C(=O)O)cc2)n1 226105852 UJKWBCGYXKMRLE-UHFFFAOYSA-N 313.357 2.662 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1cccnc1 226851518 METJPUDTKVVIEZ-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB CC1CCN(CCNC(=O)Cc2c(F)cccc2Cl)CC1 40108055 DEBKCROSNBFUFK-UHFFFAOYSA-N 312.816 2.870 0 40 DFAB CCc1cc(OC)ccc1[C@H]1NC(N)=Nc2nc3ccccc3n21 225746328 JCOBCUFCGJQRGC-INIZCTEOSA-N 321.384 2.704 0 40 DFAB O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1cccc(F)c1 45960962 WIULSGCEZOOAJX-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB N[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2ccsc2)C1 333806077 IMXWCZQZKAORPG-HZPDHXFCSA-N 322.474 2.946 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)C1 96193009 QDCAMYDUCZEJMX-YVEFUNNKSA-N 304.365 2.967 0 40 DFAB CN(C)c1ncccc1NS(=O)(=O)c1cc2ccccc2o1 97103833 QAMYWTNEKWRBNT-UHFFFAOYSA-N 317.370 2.695 0 40 DFAB CC1(C)CCC[C@H]1NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 96502250 JBHIZDTVUNXXNL-ZIAGYGMSSA-N 310.438 2.750 0 40 DFAB CN1CC[C@@H](NCc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 96484388 BWXHEPAQBWBQAY-HIFRSBDPSA-N 308.788 2.737 0 40 DFAB CC(C)[C@H]1N(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1(C)C 579811525 FSYLFWZJBZERRY-CYBMUJFWSA-N 324.402 2.589 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 253370924 YCZPTBCTUYCYFV-QLFBSQMISA-N 306.410 2.604 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(Cc3ccc(C(=O)O)cc3)C2)n1 257256610 KMFJVVFOOBVNLA-INIZCTEOSA-N 311.385 2.781 0 40 DFAB C[C@@H]1CCC[C@H](c2nc(CC(=O)NCc3ccco3)no2)C1 350685946 PVVGGEOJQBUXCL-NEPJUHHUSA-N 303.362 2.815 0 40 DFAB Cc1cc(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)c(C)o1 390826641 OCUFKGJJQPAIGF-KRWDZBQOSA-N 315.325 2.748 0 40 DFAB Cc1ccc(OC[C@]2(O)CCN(Cc3ccc(C)nc3)C2)cc1 585269560 YXBOEWZWIVODIJ-IBGZPJMESA-N 312.413 2.714 0 40 DFAB CCOCCO[C@H](C)C(=O)NCCCc1ccc(Cl)cc1 69454318 BEUPOKMMPIXISW-CYBMUJFWSA-N 313.825 2.830 0 40 DFAB COc1ccccc1N1CCN(c2nnc(C(C)C)s2)CC1 268506313 TYPNHOMUFQZYKI-UHFFFAOYSA-N 318.446 2.997 0 40 DFAB CCN(Cc1ccccc1)[C@H]1CCN(CC(F)(F)F)C1=O 96405524 GUVQLQFAIPIXGJ-ZDUSSCGKSA-N 300.324 2.672 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)OC 13598517 RTJRJJAYQDFMTN-RCBQFDQVSA-N 318.417 2.951 0 40 DFAB CCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1 14012419 YEYITOGEJHYEMP-UHFFFAOYSA-N 314.410 2.890 0 40 DFAB CC(C)Oc1cccc(CN2CC[C@H]3NC(=O)CCC[C@H]32)c1 19713245 XBFCWDILIATALI-IAGOWNOFSA-N 302.418 2.717 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169310391 AATLTRSTZYMCGM-BFYDXBDKSA-N 314.404 2.796 0 40 DFAB O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@H]1C1CC1 206590338 BLINKEXFSHQHTE-HNNXBMFYSA-N 316.382 2.857 0 40 DFAB Cc1cccnc1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 643913830 IURBTRUIYGYFIR-APWZRJJASA-N 314.404 2.955 0 40 DFAB COc1cnc(O[C@H]2CCN(Cc3ccccc3Cl)C2)nc1 1203388124 IKTCVGDCEYCXBP-ZDUSSCGKSA-N 319.792 2.792 0 40 DFAB CN(c1ccccn1)C1CCN(c2nc(C3CC3)ns2)CC1 1889085212 CUHOJFZWXHWCDD-UHFFFAOYSA-N 315.446 2.916 0 40 DFAB O[C@](CNc1ncc(F)cn1)(c1ccoc1)c1cccs1 1889149272 RBROHRAOZQLYKC-CQSZACIVSA-N 305.334 2.618 0 40 DFAB CCc1ccc([C@@H](NS(=O)(=O)N(C)C)c2cccs2)cc1 28038823 XKIVYIOCLIHMCR-OAHLLOKOSA-N 324.471 2.796 0 40 DFAB COC(=O)[C@@](O)(c1cc(C(C)C)c(O)cc1C)C(F)(F)F 4141925 KLUDYEDVPCSAFS-ZDUSSCGKSA-N 306.280 2.747 0 40 DFAB O=C(NCCC1=CCCCC1)c1ccc(O[C@@H]2CCOC2)nc1 225707643 YYXBHUZFOFMTOI-MRXNPFEDSA-N 316.401 2.870 0 40 DFAB Cc1ccc2c(c1)nnn2S(=O)(=O)c1ccc(C)c(C)c1 41095946 FTZIOMRUJXGZKJ-UHFFFAOYSA-N 301.371 2.594 0 40 DFAB O=C(C1CCN(CCc2ccccc2)CC1)N1CCSCC1 2298206846 IVXGINUMLPFHBX-UHFFFAOYSA-N 318.486 2.517 0 40 DFAB COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1 73296412 NDXJIXWTFPGHAI-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB in-vitro O=C(Cc1ccccc1Cl)NC[C@@]1(O)CCc2ccccc21 75155661 RDJRBHYANULBBN-SFHVURJKSA-N 315.800 2.833 0 40 DFAB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1Cc1ccco1 40159836 CNVSSNVOBOWJSM-HNNXBMFYSA-N 324.380 2.608 0 40 DFAB CCC(CC)N(CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 40151386 XEZRYDGIGWPCQI-UHFFFAOYSA-N 307.438 2.852 0 40 DFAB CC[C@@H]1CN(C(=O)c2sc(-c3ccccn3)nc2C)CCO1 30853843 SGLAZYHAPYMGFA-GFCCVEGCSA-N 317.414 2.765 0 40 DFAB Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 40497654 AQXWLWVMEQGIGD-BXUZGUMPSA-N 318.417 2.776 0 40 DFAB NC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40485132 OKAPAJGMDQGNMG-JTQLQIEISA-N 315.295 2.592 0 40 DFAB CC(C)c1noc(CCC(=O)N[C@@H]2CCOc3ccccc32)n1 31578669 DIGPAHWNZOEVLY-CYBMUJFWSA-N 315.373 2.766 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cccc(F)c1 45608457 JKQGZIJNPRSKGT-UHFFFAOYSA-N 316.332 2.896 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCc2nccn2C(F)F)c1 11408210 XHBFDBZMJWFMEW-UHFFFAOYSA-N 309.272 2.594 0 40 DFAB Cc1csc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C)C3)c2)n1 69697543 PYYDAPOTDZGQPZ-GFCCVEGCSA-N 315.398 2.535 0 40 DFAB COc1cc(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccc1C 69624702 NZAALTZKUHVJLB-IRXDYDNUSA-N 316.445 2.631 0 40 DFAB c1cc(Nn2c(-c3ccncc3)nnc2-c2ccncc2)ccn1 392387 MHDOTKXNYPOFFP-UHFFFAOYSA-N 315.340 2.672 0 40 DFAB Cc1csc(=O)n1CC(=O)N(C)C1C2CC3CC(C2)CC1C3 46016143 YBMUOBFWMXAOGH-UHFFFAOYSA-N 320.458 2.501 0 40 DFAB COc1ccccc1NC(=O)NCc1ccc(C(=O)O)cc1 2656393 AWEUNJKTQYVHCT-UHFFFAOYSA-N 300.314 2.715 0 40 DFAB C[C@@]1(C(=O)OCC(=O)Nc2cccc(F)c2)CC1(Cl)Cl 3501945 WKXIOMOYTJUOCA-LBPRGKRZSA-N 320.147 2.891 0 40 DFAB O=C(C=C(C1CC1)C1CC1)OCC(=O)c1ccc(O)cc1O 52149336 ZAVXRVCUJGOCEE-UHFFFAOYSA-N 302.326 2.570 0 40 DFAB CCc1nn2c(O)cc(COC)nc2c1-c1ccc(OC)cc1 100163418 SNDMHEVQCUEBGH-UHFFFAOYSA-N 313.357 2.819 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1CCC(C(=O)O)CC1 32917367 JNXPLXPHVHJGAI-UHFFFAOYSA-N 300.358 2.947 0 40 DFAB CSc1nc2ccc(NC(=O)c3ccc(O)nn3)cc2s1 32981868 MFWJOWQHONJPPX-UHFFFAOYSA-N 318.383 2.766 0 40 DFAB C[C@H]1CN(C(=O)NCc2ncc(-c3ccccc3)o2)C[C@H](C)O1 47042251 ZWBYSBIQCUCQOX-STQMWFEESA-N 315.373 2.660 0 40 DFAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2ccccc12 107715576 KRRUSYGGKGYQMZ-RCCFBDPRSA-N 311.381 2.858 0 40 DFAB Cc1cc(C)n(CCCNC(=O)Cc2c[nH]c3ccccc23)n1 22412480 MBWZMZKFUHWTIF-UHFFFAOYSA-N 310.401 2.730 0 40 DFAB Cc1ccc(OCC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1C 28295312 XLVAXEJEYWVORY-ZACQAIPSSA-N 307.434 2.542 0 40 DFAB CCN1CCCN(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 96482485 NHUBFXAGAYRVAF-ZDUSSCGKSA-N 323.412 2.633 0 40 DFAB CCN(CC)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 96439514 QYQJTWSPPULTRS-PBHICJAKSA-N 323.506 2.589 0 40 DFAB Cn1ccnc1SCCn1c(=S)[nH]c2ccccc2c1=O 12532257 NKRVBIBVVZPMLN-UHFFFAOYSA-N 318.427 2.585 0 40 DFAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NCC1CCCCC1 3248416 GILHZJFAEOJMAA-UHFFFAOYSA-N 324.808 2.776 0 40 DFAB Cc1cc(N(Cc2ccco2)Cc2ccco2)n2ncnc2n1 23619624 WXASYVKXRZYRFY-UHFFFAOYSA-N 309.329 2.826 0 40 DFAB Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cnn1C 54672141 AXWXISDWRAANEC-UHFFFAOYSA-N 306.369 2.967 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 58194324 IVABZTXBTDYQEJ-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 76878973 JMJBDZUDOUJWKD-FMKPAKJESA-N 316.401 2.808 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(=O)Nc1ccc(O)cc1 77613638 RUJWPRDIGKRDIJ-SJORKVTESA-N 324.380 2.559 0 40 DFAB CO[C@@H](CNC(=O)NCc1cn2ccccc2n1)c1ccccc1 43476563 ZVTCOBZIVLMUKS-INIZCTEOSA-N 324.384 2.521 0 40 DFAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)o1 25182673 OHXCWUVHFNVHBZ-UHFFFAOYSA-N 305.717 2.923 0 40 DFAB CC(C)OCCCNC(=S)Nc1ccc2c(c1)OCCO2 53578927 YLJHHTQQBVVITD-UHFFFAOYSA-N 310.419 2.559 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H]2CCOC2)C1 107518001 VGEIEQGOIVTJCM-ZNMIVQPWSA-N 312.454 2.648 0 40 DFAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1nnc2ccccn12 44363468 JAUJJKBHLFMUJD-LBPRGKRZSA-N 324.359 2.777 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 58159323 CJEGRFVGHSKPCU-UKRRQHHQSA-N 304.459 2.661 0 40 DFAB CCN(CC(=O)NCc1cc(C)no1)Cc1ccc(Cl)cc1 69809861 XMJILIZWZRXJLV-UHFFFAOYSA-N 321.808 2.775 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48258436 KZULNUWGAWCDDJ-CHWSQXEVSA-N 319.405 2.985 0 40 DFAB C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1nnc2n1CCC2 44934613 BQKKACQXCYKXOF-WFASDCNBSA-N 310.401 2.522 0 40 DFAB CCOC(=O)C1CCN(C(=O)Nc2ccc(C)cc2F)CC1 44935529 ITGFCKVHMXBXNT-UHFFFAOYSA-N 308.353 2.941 0 40 DFAB C[C@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C[C@H](C)O1 12817064 SOMXOEBEIZXWCV-JJGIJDNGSA-N 311.385 2.521 0 40 DFAB Cc1n[nH]c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)n1 28473306 FNKCUNUOMCUCTA-ZDUSSCGKSA-N 304.419 2.893 0 40 DFAB COc1ccc([C@H](NC(=O)N2CCO[C@H](C)C2)C2CC2)cc1 45316694 SZIZOVPXELNENE-MLGOLLRUSA-N 304.390 2.577 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cncn2)cc1 12851299 UHEOSAWUQMFORU-UHFFFAOYSA-N 317.352 2.930 0 40 DFAB CCc1ccc2nc(NC(=O)Cn3ccccc3=O)sc2c1 3423573 SJPHKSTYVMABQC-UHFFFAOYSA-N 313.382 2.659 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](C(C)C)N2CCCC2)c1 12910836 MWOVTSDYOFCAJI-INIZCTEOSA-N 305.422 2.937 0 40 DFAB C[C@H](NC(=O)COc1ccccc1C(=O)O)c1ccc(F)cc1 13080303 UNABOMWCYRLBRB-NSHDSACASA-N 317.316 2.780 0 40 DFAB CCCn1nc(C)c2c(C(=O)O)cc(-c3cnn(C)c3C)nc21 4294506 RQXZDEBJQCILKY-UHFFFAOYSA-N 313.361 2.557 0 40 DFAB in-vitro CCC1(CC)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 4308216 TXUKYLBMZGLSCF-UHFFFAOYSA-N 310.781 2.829 0 40 DFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cccs1 4469605 QQYRNZCPKOIDIO-UHFFFAOYSA-N 306.387 2.576 0 40 DFAB O=S(=O)(c1cn[nH]c1)N(Cc1ccsc1)c1ccccc1 65590065 ISHPXSAYUGAPID-UHFFFAOYSA-N 319.411 2.867 0 40 DFAB NC(=O)CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 65513142 VYSYPENCYUNWJO-UHFFFAOYSA-N 322.286 2.588 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)CSCC(=O)c1ccccc1 65609866 IICWGFXKZGVQFX-CYBMUJFWSA-N 317.410 2.943 0 40 DFAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](C(F)(F)F)C1 71795509 QKNPPFWSDQVYCI-LBPRGKRZSA-N 324.306 2.682 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)c2cc(F)ccc2F)cc1 71799934 ITVOMJZAPPNVMA-UHFFFAOYSA-N 318.323 2.896 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1 65224811 ZJLCKOAZXURDLQ-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB Cc1cnn(C[C@H]2CCCN2c2nccc(C(F)(F)F)n2)c1 70007729 NOUDFTHRTQRFGC-LLVKDONJSA-N 311.311 2.669 0 40 DFAB COCC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001330 QYDBMIVRRXMAGJ-AWEZNQCLSA-N 315.373 2.827 0 40 DFAB Cc1cccnc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 8341647 LFVCBLJTOKQQMP-UHFFFAOYSA-N 322.368 2.588 0 40 DFAB Cc1c(C(=O)N2CCn3c(C)nnc3C2)sc2ccsc12 69491234 SZALNXPNYVDXSD-UHFFFAOYSA-N 318.427 2.827 0 40 DFAB O=C(/C=C/c1ccc(Br)o1)NCc1nccs1 69514902 HLDKUISBKWRMJZ-DUXPYHPUSA-N 313.176 2.828 0 40 DFAB CCCc1cc(NC(=O)Cc2cc(C(C)=O)ccc2OC)n[nH]1 71896434 FIOQPZMEMZYCBJ-UHFFFAOYSA-N 315.373 2.755 0 40 DFAB CN(C)[C@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 83847910 SLLBNMZXINMZLL-FZMZJTMJSA-N 310.488 2.631 0 40 DFAB c1coc(-c2n[nH]c(CCNc3ncnc4ccsc34)n2)c1 71910611 UCQIPAVXSRJYOV-UHFFFAOYSA-N 312.358 2.724 0 40 DFAB CN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1 94294595 RXDPKYRCQBLSLP-UHFFFAOYSA-N 317.252 2.741 0 40 DFAB CC(C)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 96817091 FEHPUJKZTDHMJP-UHFFFAOYSA-N 308.359 2.637 0 40 DFAB O=C(COCC(F)(F)F)Nc1cc(Cl)c(Cl)cn1 78949791 XNVRYULLIXVJOB-UHFFFAOYSA-N 303.067 2.906 0 40 DFAB Cc1ccsc1CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 78940660 HNRJOHTWYIUGRW-NSHDSACASA-N 320.462 2.837 0 40 DFAB CCc1sc(C(=O)N[C@H](C(N)=O)c2ccccc2F)cc1C 72287842 JUAOJBVBWYFTQV-AWEZNQCLSA-N 320.389 2.714 0 40 DFAB Cc1ccc(-c2ncco2)cc1NC(=O)N1CCCN(C)CC1 97052302 WBGFDTLANFRTNY-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB CC(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccc(F)cc21 72404141 QDMVKPGUPLFKIU-INIZCTEOSA-N 314.320 2.833 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C 84670913 RHWYIVJBFBUZQB-CVEARBPZSA-N 314.429 2.982 0 40 DFAB CCC(CC)[C@@H](NC(=O)NC[C@@H]1CCC(=O)N1)c1ccccc1 95412373 VWMFAIMSUPUTIM-DOTOQJQBSA-N 317.433 2.742 0 40 DFAB CC(C)C(=O)N1CC[C@H](N[C@H]2CSCCc3ccccc32)C1 95423796 NQLZCDPQDPDHIB-RDJZCZTQSA-N 318.486 2.864 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 98014314 LUXXYASVFARHGQ-LSBZLQRGSA-N 309.413 2.682 0 40 DFAB O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ncccn2)C1 95973776 WIJRBRXWNSMJLW-QWHCGFSZSA-N 309.291 2.808 0 40 DFAB CCOc1cc(Cl)ccc1C(=O)OCc1nnc(C)n1C 95995264 YYAQXZXOWFIVLA-UHFFFAOYSA-N 309.753 2.533 0 40 DFAB CCOCCSc1nc2ccccc2c(=O)n1[C@H](C)COC 95946927 BSVZFIFPEJRWTI-GFCCVEGCSA-N 322.430 2.733 0 40 DFAB O=C(O)c1coc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 95939859 BZTUVDKYZUGERN-CQSZACIVSA-N 317.316 2.964 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCC(C)(C)N(C)C)C1 89274889 VEHWCEFWAZZOTJ-OLZOCXBDSA-N 301.500 2.642 0 40 DFAB Cn1c(=O)oc2ccc(NCc3noc(-c4ccccc4)n3)cc21 86205258 DLONUANIVUUDNY-UHFFFAOYSA-N 322.324 2.794 0 40 DFAB Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(C(C)C)n(C)n1 89526273 HOUPXAGHWXAJGL-JTQLQIEISA-N 304.394 2.682 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2ccco2)on1 75136687 PUSBROJLVGEKSY-UHFFFAOYSA-N 315.285 2.610 0 40 DFAB Cn1cc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)cn1 89755738 YPFDHVFHYIKIJG-INIZCTEOSA-N 324.428 2.536 0 40 DFAB Cc1cscc1C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 89708900 ZNZGPNOCPFQWLO-CQSZACIVSA-N 323.439 2.572 0 40 DFAB COc1ccccc1-c1ccc(N2CC[C@H](N3CCCC3)C2)nn1 1548510986 OFCBMOZBFUBPED-HNNXBMFYSA-N 324.428 2.827 0 40 DFAB Cc1ccc(Nc2cc(N3CCC[C@@H](C(=O)O)C3)ncn2)cc1 217362818 NKCQFLFKSFGWHJ-CYBMUJFWSA-N 312.373 2.830 0 40 DFAB Cc1ncc(C(=O)N2CCCN(c3ccccc3Cl)CC2)[nH]1 521394231 RNEARNIHUKKILC-UHFFFAOYSA-N 318.808 2.724 0 40 DFAB COc1cccc2cc(C(=O)NC[C@@](C)(O)CCSC)oc12 75157496 CJXDNDLATDSZGI-INIZCTEOSA-N 323.414 2.675 0 40 DFAB COC1CCN(CCNC(=O)Nc2ccc(C)cc2C)CC1 79772616 CMDLMFFGCZGALX-UHFFFAOYSA-N 305.422 2.536 0 40 DFAB N[C@H](Cc1c[nH]c2cccc(OCc3ccccc3)c12)C(=O)O 44283975 CODJFBODUVBXAR-CQSZACIVSA-N 310.353 2.701 0 40 DFAB Cc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)no1 8993912 AFDWZIUOZYLKEJ-SNVBAGLBSA-N 314.341 2.999 0 40 DFAB CCCC(=O)NCc1c(Cl)cccc1N1CCN(C)CC1 81376442 PXZSYGRATBREBC-UHFFFAOYSA-N 309.841 2.508 0 40 DFAB Cc1cc(OCCCS(C)(=O)=O)cc(C)c1Br 190173020 BCNCIMZVAMSCOG-UHFFFAOYSA-N 321.236 2.879 0 40 DFAB CC[C@H](C(=O)N1CCC[C@H]1C(C)(C)O)c1ccc(OC)cc1 192548110 KKEAZODEYSYSII-HOTGVXAUSA-N 305.418 2.951 0 40 DFAB O=C(Nc1ccc(OC(F)F)cc1)NC1(CO)CCCC1 83541710 RDEFWCQEIJLGHQ-UHFFFAOYSA-N 300.305 2.715 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 225414928 AJCDZTJICCJYOS-QTVXIADOSA-N 320.458 2.742 0 40 DFAB Cn1ccc2c(C(=O)N=c3nc(C4(C)CC4)[nH]s3)cccc21 529705107 ZGQIMPRNPUAIBX-UHFFFAOYSA-N 312.398 2.756 0 40 DFAB COCCNC(=O)c1ccc(Nc2ccccc2F)c(N)c1 225422277 PDHKASCJDGSKES-UHFFFAOYSA-N 303.337 2.528 0 40 DFAB Cc1noc(CCC(=O)NC[C@@H](C)Sc2ccccc2)n1 81110098 MVKUWZAMYYEGRK-LLVKDONJSA-N 305.403 2.608 0 40 DFAB Cc1ccc(F)cc1CN(CC(=O)N(C)C)CC(F)(F)F 195553402 WLNAFEJEBJFXLL-UHFFFAOYSA-N 306.303 2.587 0 40 DFAB O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccsc1 96053681 BVBHKXCUQBZQSJ-JSGCOSHPSA-N 304.440 2.904 0 40 DFAB O=C(c1ccoc1)N1CC[C@H]2C[C@H](c3nccs3)O[C@@H]2C1 96046045 FNRJVGAWJYCKDI-CYZMBNFOSA-N 304.371 2.728 0 40 DFAB CC(C)=CC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 96445593 WDRNSXYJMPZUME-UHFFFAOYSA-N 314.429 2.550 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NCCSCC(C)(C)O)c1 97228428 PUROFNKDCQIIHU-LBPRGKRZSA-N 310.463 2.800 0 40 DFAB Cc1cccc(CN2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)c1 96109918 RAUDUXBOGFBXKI-QGZVFWFLSA-N 316.445 2.597 0 40 DFAB Cn1cccc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238974272 ZRLIWYDVRHUXLD-CQSZACIVSA-N 322.368 2.705 0 40 DFAB Cc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)o1 96059744 DJYMOGVXUKXKEG-MRXNPFEDSA-N 301.390 2.598 0 40 DFAB Cc1cnn(CCc2nc(-c3ccc(Br)o3)no2)c1 96448219 NZBQKGDSWHPIFT-UHFFFAOYSA-N 323.150 2.840 0 40 DFAB CN(Cc1cncs1)C1CCN(C(=O)OC(C)(C)C)CC1 91934800 PSHQOWIZRDUQMM-UHFFFAOYSA-N 311.451 2.974 0 40 DFAB O=c1ccc2cc(Cl)cc(I)c2[nH]1 232223798 RUDRHOJRIBZSNL-UHFFFAOYSA-N 305.502 2.786 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1)C2 96039077 IFJKWAPONOFHJG-IEBWSBKVSA-N 317.429 2.663 0 40 DFAB CCn1c(CN2CCO[C@H]3CCC[C@H]32)nc2cc(F)ccc21 230082232 KDXMFOZWTWFYRB-CVEARBPZSA-N 303.381 2.949 0 40 DFAB C[C@H](CC1CC1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97095384 GASKWSBBNAYHMH-CYBMUJFWSA-N 308.447 2.522 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)ccn1 257253172 JXVIDLMJKYLSFF-HNNXBMFYSA-N 321.384 2.977 0 40 DFAB Cc1noc(C)c1CN1C[C@H]2C[C@H]1C[C@H]2OCc1cccnc1 251924408 CAGRTHSYDIZCAB-SOLBZPMBSA-N 313.401 2.866 0 40 DFAB Cc1onc(C(C)C)c1C(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257226550 FLCLKKPVGYZHES-XNJGSVPQSA-N 306.406 2.872 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(Cc1cccc(OC)c1)C2 96064994 XNZDHVXTQNJYQQ-ROUUACIJSA-N 305.418 2.713 0 40 DFAB C[C@@H](CCO)CNC(=O)N[C@@H](C)c1ccc(F)cc1Cl 78952961 STBBJISDKFTOBW-UWVGGRQHSA-N 302.777 2.858 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)c1cc2c(s1)CCC2 96402320 AWDLMGUXMWEBFH-UHFFFAOYSA-N 307.415 2.652 0 40 DFAB CCOc1ccc(NC(=O)COc2ccccc2C(=O)O)cc1 13080208 JMKZLLVGIWVUDS-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@H]1CCOC1 19337980 LEDYCCRLXMEMJX-GJZGRUSLSA-N 302.399 2.580 0 40 DFAB c1cnc(-c2cnc(N3CCCCC3)nc2[C@@H]2CCCO2)cn1 19403750 MQWRQTXSHAZISL-HNNXBMFYSA-N 311.389 2.775 0 40 DFAB COc1cccc(Cl)c1CC(=O)NCC(=O)c1cccs1 154143828 REJNDDFOVAESJX-UHFFFAOYSA-N 323.801 2.952 0 40 DFAB CCSc1ccccc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 239611800 FEPNRHFSKVATPJ-YUELXQCFSA-N 321.442 2.865 0 40 DFAB Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 5559796 GDNIJTYJGRSAPG-UHFFFAOYSA-N 303.383 2.792 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 1889070770 VJMDJENYNNOQOP-JTQLQIEISA-N 315.339 2.841 0 40 DFAB CC(C)c1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1 22760156 UDJNKZROMRFXAK-UHFFFAOYSA-N 321.380 2.975 0 40 DFAB COc1cc([C@H](C)NC(=O)CCSC)cc(OC)c1OC 40107865 NVEAPPBZMLAJNO-JTQLQIEISA-N 313.419 2.643 0 40 DFAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccccn1 31257055 XDOHFJGSJPTTNP-NSHDSACASA-N 302.378 2.572 0 40 DFAB Cn1cc([C@H]2CC(=O)N(c3ccccc3O)C2=O)c2ccccc21 100757582 FDBJQBVXVGNJGD-CYBMUJFWSA-N 320.348 2.931 0 40 DFAB biogenic Cc1ccc(-c2csc3ncn(CCO)c(=O)c23)cc1C 31747998 JIERVKKDCAVRER-UHFFFAOYSA-N 300.383 2.734 0 40 DFAB CCCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)n[nH]c1=O 7530045 NHJGYCBDBSOEIC-GFCCVEGCSA-N 319.430 2.962 0 40 DFAB CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1cccnc1 355635 JKGHSEJTMNWIAS-CYBMUJFWSA-N 315.295 2.581 0 40 DFAB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 557356 QMDZBWMMGZFZPS-UHFFFAOYSA-N 318.329 2.681 0 40 DFAB Cc1cc(Br)ccc1C(=O)N(C)C1CCNCC1 36830682 YREOOJJKCZZUPQ-UHFFFAOYSA-N 311.223 2.582 0 40 DFAB Cc1ccc(OCCN2C3=NC(=O)CN3c3ccccc32)cc1 51325944 OCKQEEGTVVBJMG-UHFFFAOYSA-N 307.353 2.597 0 40 DFAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)O)nc2n1 2650287 YCTKSTRKDLGOGJ-UHFFFAOYSA-N 314.370 2.732 0 40 DFAB CC(=O)Nn1c(-c2ccccc2)nc2ccc(Cl)cc2c1=O 3027574 FNLWLYNSMYZVOW-UHFFFAOYSA-N 313.744 2.807 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(N)=O 3152856 KDSLPKQKTONPND-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@@H]2O 4026296 YLTCTXBDDHSLCS-CABLIKTCSA-N 304.430 2.852 0 40 DFAB endogenous,in-man Cc1noc(C)c1C(=O)NC1CCN(Cc2ccccc2)CC1 20903552 SSNKIRFUSRTHTF-UHFFFAOYSA-N 313.401 2.686 0 40 DFAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)c1 4385154 FWCYLHIOLZMJTP-CYBMUJFWSA-N 313.357 2.591 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 102175018 XUKVLLMZTCYHIQ-VLIVSTDHSA-N 309.724 2.941 0 40 DFAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2O)cc1 9513003 DNDZWLRANBFEAX-NSHDSACASA-N 315.325 2.585 0 40 DFAB COc1ccc(-c2c(N)n(C)c3ccccc3c2=O)cc1OC 518222 IEIYOMNYMUCZDF-UHFFFAOYSA-N 310.353 2.805 0 40 DFAB Cc1cc(C)n([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1 547273 VMXTVPGNAOOTEL-CQSZACIVSA-N 317.776 2.966 0 40 DFAB Cc1ccc(C(=O)[C@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1C 8503828 GZZPGZXHBQQTJC-NSHDSACASA-N 317.414 2.887 0 40 DFAB C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1cccc(F)c1 41626341 PLNZTARCLSOKOW-CYBMUJFWSA-N 311.364 2.994 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 22246547 NHNFCRWBKYYKPG-RNCFNFMXSA-N 324.402 2.829 0 40 DFAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104097353 AICZDAOFFMVHKW-YQFWSFKMSA-N 314.429 2.747 0 40 DFAB COc1cc(CNCc2cc3c(cc2OC)C[C@@H](C)O3)ccn1 42208305 CKDXPPJHAYUOLC-GFCCVEGCSA-N 314.385 2.712 0 40 DFAB COCc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 54058204 NXPFNQWHQGPUKO-UHFFFAOYSA-N 305.765 2.592 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC(c2nnc3ccccn23)CC1 28737210 VMBXCQZBWNJJOV-IMJJTQAJSA-N 324.428 2.872 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 100133348 ADKFVONVCIXICR-BLLLJJGKSA-N 307.415 2.824 0 40 DFAB in-vitro CN(Cc1ccco1)C(=O)CN1C(=O)C(C)(C)c2ccccc21 57355606 YSPGJQJTJFNIKX-UHFFFAOYSA-N 312.369 2.562 0 40 DFAB CCN(CC)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 59484434 RDIMDPHSPDZPKZ-UHFFFAOYSA-N 322.408 2.876 0 40 DFAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NC1CC1 3260725 RIZSAOFIIJGDLU-UHFFFAOYSA-N 319.455 2.941 0 40 DFAB CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccccc1COC 106779448 KSCZKLNCUCCTNE-ZWKOTPCHSA-N 316.445 2.922 0 40 DFAB Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)no1 56357548 QHBJVOGSQUVZSI-LLVKDONJSA-N 324.381 2.504 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCCO2)C1 108102954 MMJFNMQUIYXZSW-RQJABVFESA-N 300.468 2.870 0 40 DFAB O=C1C[C@H](c2noc(-c3ccccn3)n2)CN1c1cccc(F)c1 44213944 GIUHDCPKKFPEDD-NSHDSACASA-N 324.315 2.791 0 40 DFAB C[C@H]1CN([C@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 22145782 RIFUGEVYTBABST-UHIISALHSA-N 302.340 2.814 0 40 DFAB Cc1cc(C(=O)NCCN(C(C)C)C(C)C)c2c(C)noc2n1 27458440 TZUDVDROTARFMN-UHFFFAOYSA-N 318.421 2.688 0 40 DFAB NC(=O)[C@@H](OC(=O)CSc1ccc(F)cc1)c1ccccc1 10190796 DCWXQYCYKWFNIY-HNNXBMFYSA-N 319.357 2.688 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)CCC(=O)c2cccs2)C1 58323999 LAGUBBWLSXOMDV-CQSZACIVSA-N 322.474 2.948 0 40 DFAB Cc1ccc(C)c(-n2nc(C(N)=O)nc2-c2ccc(F)cc2)c1 408695003 NUVYKCHGIIMEJF-UHFFFAOYSA-N 310.332 2.789 0 40 DFAB Cc1csc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 10555431 QXXFFUPASUWPHX-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1OC(C)C 62391476 SMUYYYHEQNARGZ-QWHCGFSZSA-N 321.421 2.899 0 40 DFAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1nncs1 48375185 GGQKWCMJKCODNS-UHFFFAOYSA-N 306.391 2.514 0 40 DFAB CC[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=S)CCO1 12865104 POZPQQSOMJSWPU-CYBMUJFWSA-N 305.403 2.941 0 40 DFAB Cc1nc2ccccc2nc1SCC(=O)NCC(F)(F)F 12906323 CTUMDKSYXMDLHH-UHFFFAOYSA-N 315.320 2.709 0 40 DFAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@@H](C)CC(C)C)cnc12 12951965 WPLPTHXCLNVGJZ-AWEZNQCLSA-N 315.417 2.598 0 40 DFAB CNc1snc(C)c1C(=O)N1CCN(C)c2ccccc2C1 68862466 LILJWQXRPAYVDI-UHFFFAOYSA-N 316.430 2.585 0 40 DFAB O[C@@H](CN1CCC[C@H](N2CCCCC2)C1)c1ccc(F)c(F)c1 69779759 JHBZATQDYNXDEM-YJBOKZPZSA-N 324.415 2.949 0 40 DFAB CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)Cc1ccco1 13011095 QHZYFRXRSIMQLE-UHFFFAOYSA-N 303.749 2.802 0 40 DFAB Cc1ccc(C(=O)O)c(OCC(=O)NCc2ccc(F)cc2)c1 13084542 ZRMXPBVXQMAMIC-UHFFFAOYSA-N 317.316 2.528 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1ccccc1 38488356 VITKFQBKLNIMTP-CQSZACIVSA-N 320.352 2.648 0 40 DFAB Cc1ccc(-c2nc(C(=O)Nc3cccn(C)c3=O)cs2)o1 69737872 MPDLKPAHXFHUCW-UHFFFAOYSA-N 315.354 2.663 0 40 DFAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(N(C)C)cc1 8165215 JLYBDJICGATXLB-CYBMUJFWSA-N 313.401 2.684 0 40 DFAB COc1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13388839 CDKRYBIYVRBEAE-GFCCVEGCSA-N 305.355 2.703 0 40 DFAB COC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1 5034283 IFPKJGDCDYJVFJ-UHFFFAOYSA-N 309.321 2.888 0 40 DFAB CN1/C(=C\C=N\NC(=O)NCC2CC2)C(C)(C)c2ccccc21 64921648 GFLCAFBMCQCFHM-YPWBLNBHSA-N 312.417 2.993 0 40 DFAB COC[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC 65434166 CTOOOXZAUGUDLX-DOMZBBRYSA-N 322.405 2.585 0 40 DFAB Cn1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 65438207 HCSIPWXLYHPGKW-UHFFFAOYSA-N 316.258 2.900 0 40 DFAB COc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1O 4501919 GFPUKSWDDUDBLJ-ZDUSSCGKSA-N 304.371 2.933 0 40 DFAB CCN(C(=O)c1ccn[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 65605501 WTMZFMAWSYKQON-HOCLYGCPSA-N 312.417 2.707 0 40 DFAB Cc1cccc(COC(=O)c2ccccc2S(C)(=O)=O)c1 5535618 KQRLCIZFEHQHBN-UHFFFAOYSA-N 304.367 2.756 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 6760624 QZLMZXRRSGLMDM-JQWIXIFHSA-N 322.792 2.943 0 40 DFAB O=C(CNC(=O)c1ccc2ccccc2c1)NCc1cccs1 6881812 RQKYLCJFMIXKCP-UHFFFAOYSA-N 324.405 2.948 0 40 DFAB CC(C)OCCN1CCCN(c2nc3ccccc3[nH]2)CC1 69558422 JIYXJFGRBSTKOO-UHFFFAOYSA-N 302.422 2.500 0 40 DFAB C[C@@H](NC(=O)CSc1nncn1C)c1cc2ccccc2o1 7077260 QWJRVFMNRDSZBE-SNVBAGLBSA-N 316.386 2.531 0 40 DFAB CC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1 15636658 GPRIWKJQPCEYTA-UHFFFAOYSA-N 316.382 2.852 0 40 DFAB CCc1ccccc1NC(=O)CN(C)C(=O)c1occc1C 8945903 XWXSQNOFOJHLNT-UHFFFAOYSA-N 300.358 2.861 0 40 DFAB Cc1occc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 78948875 XVFCVDICNOOQTK-HNNXBMFYSA-N 313.353 2.794 0 40 DFAB Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@H]1C1CCCC1 84012164 HBLUMVATFKIKAZ-KRWDZBQOSA-N 318.465 2.944 0 40 DFAB CC(C)(C)OC(=O)NCCNCC1=Cc2ccccc2OC1 83454428 FIDTYZBRRJQDOY-UHFFFAOYSA-N 304.390 2.577 0 40 DFAB O=C(COc1ccccc1)N1CCN(C2CCCCC2)CC1 19889343 AFIXWPUKTORTMV-UHFFFAOYSA-N 302.418 2.542 0 40 DFAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 96442615 JTLDVPWBESCHBO-INIZCTEOSA-N 309.365 2.892 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 72234557 TXSKHKUXZUBDMQ-MSOLQXFVSA-N 314.429 2.806 0 40 DFAB CCCCCNC(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 71892292 KOCZJILKKCYCNQ-UHFFFAOYSA-N 305.426 2.761 0 40 DFAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C 71830025 KXTKSOKBGMDZNO-SJORKVTESA-N 314.429 2.835 0 40 DFAB COC(=O)c1cc(/C=C/C(=O)Nc2nc(C)cs2)oc1C 9689996 YVICALMUQZZJST-SNAWJCMRSA-N 306.343 2.791 0 40 DFAB C[C@H](Oc1ccc(OCc2ccc(Cl)cn2)cc1)C(N)=O 97049963 NMXQOGWNICYZRV-JTQLQIEISA-N 306.749 2.567 0 40 DFAB CCN(CCO)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 97298750 SOVZRGYBRMDUIG-SECBINFHSA-N 306.189 2.602 0 40 DFAB Cn1c(-c2ccccc2)nnc1N1CCN(c2ccccc2)CC1 97371601 GXVXQHQJARIZEM-UHFFFAOYSA-N 319.412 2.809 0 40 DFAB O=C(NCc1nc[nH]n1)c1ccc(-c2ccccc2Cl)o1 84514537 JZUQKJIUZMJJKF-UHFFFAOYSA-N 302.721 2.648 0 40 DFAB CCCCC1CCC(C(=O)N[C@](C)(COC)C(=O)OC)CC1 84742979 JUUOLMPGHZQADO-MQBCKMQZSA-N 313.438 2.677 0 40 DFAB COCc1ccc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1 95419022 RKTBELVGQUZYQP-HNNXBMFYSA-N 304.390 2.579 0 40 DFAB CCOC(=O)c1cncc2c1CCN(C(=O)OC(C)(C)C)C2 95740437 ZHNNGEYRNANOCS-UHFFFAOYSA-N 306.362 2.552 0 40 DFAB in-vitro O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCSC1 95948151 ZMKQFOWVIVOXOR-UHFFFAOYSA-N 310.382 2.543 0 40 DFAB O=C(Nc1cccnn1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984837 IGJGJIQTXJILBR-JSGCOSHPSA-N 318.764 2.782 0 40 DFAB C[C@]12C[C@H](CO)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118933691 GMNUCAFZYMWGOG-PZVLBALMSA-N 322.489 2.969 0 40 DFAB Cc1cc(C)nc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 32124440 QPCKCGHQVGCMJE-HNNXBMFYSA-N 310.357 2.683 0 40 DFAB biogenic Cn1c(=O)oc2cc(Nc3nccc(C(F)(F)F)n3)ccc21 76924577 JAFPHBBAORQQHL-UHFFFAOYSA-N 310.235 2.684 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C)s2)C1 35160171 AWQMISFTVSRVMS-MMQHEFTJSA-N 307.415 2.871 0 40 DFAB CC(=O)N1CCCN(Cc2c(C(C)C)[nH]c3ncccc23)CC1 72393723 ULCLZCUNJUWDIW-UHFFFAOYSA-N 314.433 2.741 0 40 DFAB C[C@@]1(C(=O)Oc2ccc(-n3cncn3)cc2)CC1(Cl)Cl 78141189 PFSWNHJVMHOQJT-LBPRGKRZSA-N 312.156 2.757 0 40 DFAB CC(C)(C)SCCOC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 79037333 YGMQUUMILJNQRH-CYBMUJFWSA-N 313.463 2.710 0 40 DFAB O=C1NCCN(C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 131913465 LWDGJIIGEWDPKQ-OAHLLOKOSA-N 313.332 2.531 0 40 DFAB CCc1ccc(C(C)(C)CNC(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 189493464 QSJWCTVSZMGEPP-ZBFHGGJFSA-N 318.461 2.796 0 40 DFAB C[C@H](C(=O)N[C@H](C)CCCCNC(=O)[C@H](C)C1CC1)C1CC1 573711788 JKYLKEMLDIIKQR-MCIONIFRSA-N 308.466 2.870 0 40 DFAB Cc1nnc(C2CCN(C(=O)/C=C/c3ccco3)CC2)s1 75149270 SXJKOQSOQDYYOP-SNAWJCMRSA-N 303.387 2.859 0 40 DFAB Cn1cc([C@H]2CCCCN2C(=O)c2cncc(Cl)c2)cn1 571374227 IBBYWYIQZSRLGC-CQSZACIVSA-N 304.781 2.836 0 40 DFAB CCC(=O)Nc1nc(-c2ccc(OC)cc2)c(CC(=O)O)s1 85397392 JZYIIIRMRKUWNU-UHFFFAOYSA-N 320.370 2.794 0 40 DFAB CC(C)c1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 41121990 OWXZFSJVXRQZEE-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB CCc1nc2cc(NC(=O)NC3(CO)CCCC3)ccc2o1 83570067 CYXOOVWLZIQWRM-UHFFFAOYSA-N 303.362 2.817 0 40 DFAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCCC(C)C)c2c1 225757429 DSQNYGXMIWGVQN-UHFFFAOYSA-N 300.402 2.781 0 40 DFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 222443916 GPPOIFVMPZKRLQ-INIZCTEOSA-N 324.424 2.701 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc3c(n2)CCCC3)C1 577168496 ADMSQJIPGDMUKU-ZDUSSCGKSA-N 316.401 2.677 0 40 DFAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c(C(N)=O)c1C 96403804 ZVKLQYKADZAZLI-VHSXEESVSA-N 304.371 2.799 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)N2CC[C@]3(CCOC3)C2)ccn1 96494803 NNYRDLNBTYUWEE-GUYCJALGSA-N 304.390 2.512 0 40 DFAB COCCN1C(=O)CCC12CCN(Cc1ccc(C)s1)CC2 96228061 XWWJGAQYJNLODZ-UHFFFAOYSA-N 322.474 2.660 0 40 DFAB O=C(c1ccco1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238930272 VAAGZHBGLONVID-ZDUSSCGKSA-N 309.325 2.959 0 40 DFAB Cc1csc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)n1 96046301 CXZVZZKAHXXHGC-SOUVJXGZSA-N 318.446 2.537 0 40 DFAB COC(=O)CCN(C)C(=O)c1ccc2ccc(Cl)cc2n1 96460176 DWPWLMWFQPWVHE-UHFFFAOYSA-N 306.749 2.523 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2cn(CC)nc21 96059908 DOHPCHLZPCZFFB-HNNXBMFYSA-N 303.406 2.940 0 40 DFAB Cc1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(C)n1 96453946 SMHSMBKBAIKVGA-CYBMUJFWSA-N 306.410 2.539 0 40 DFAB O=C(c1cnc2ccccc2c1)N1CCO[C@@H](c2ccncc2)C1 257234396 GTILIPVCKGCDRQ-GOSISDBHSA-N 319.364 2.844 0 40 DFAB CC(=O)N1CCN(CC2(O)CCCCC2)[C@@H](c2ccccc2)C1 257314181 UVQZHJSZFDRMEB-GOSISDBHSA-N 316.445 2.587 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)CN1C 585103431 GPQWNJBIJAYENT-INIZCTEOSA-N 316.445 2.568 0 40 DFAB CCC[C@@H](C)N1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 585099654 UZWPGXDTRIBOCS-CZUORRHYSA-N 307.463 2.756 0 40 DFAB O=C(NCc1csc2ccccc12)c1cnn2cccnc12 57840471 WIRYVMUTCMKTKX-UHFFFAOYSA-N 308.366 2.874 0 40 DFAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CNC(=O)c1ccsc1 71908587 KQFUIHHUTAIFIP-MEDUHNTESA-N 314.410 2.528 0 40 DFAB Cc1nnc(C2CCN(C(=O)c3sc(C)nc3C)CC2)s1 75149280 DDLMBNTXKODTNQ-UHFFFAOYSA-N 322.459 2.940 0 40 DFAB CC[C@@](CO)(NCc1ccc([S@@](C)=O)cc1)c1ccccc1 85325079 ATRIFICXLGXVIU-AVRDEDQJSA-N 317.454 2.811 0 40 DFAB CCC(CC)C(=O)N1CCO[C@@](CO)(Cc2ccccc2C)C1 1615142430 KVXPMVDWYDRFIB-IBGZPJMESA-N 319.445 2.564 0 40 DFAB O=C1CCC[C@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 5603209 IETLIBMCSNSIRC-UZLBHIALSA-N 321.376 2.790 0 40 DFAB Cc1cc(OC2CN(C(=O)c3cccc(Cl)c3)C2)cc(=O)o1 206960309 PUWATRPBJWUAFR-UHFFFAOYSA-N 319.744 2.505 0 40 DFAB Cc1ccc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)nn1 1888891066 QIDCIBWCOLXDOU-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCCCC1 415722 GGNSKMPLMPKAAM-UHFFFAOYSA-N 321.377 2.980 0 40 DFAB CCC(=O)N(c1ccc(C)c(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 4165255 NBAQOOIDGZYMGF-GFCCVEGCSA-N 313.806 2.702 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc(F)cc3F)cnc2s1 4517292 HBZVOUOYJGHHQC-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB O=C(Cc1noc2ccccc12)NC[C@H]1COc2ccccc21 342664426 SQWIUQKEBFCJQG-LBPRGKRZSA-N 308.337 2.663 0 40 DFAB Cn1cc([C@H]2CCCCN2c2ncc(Br)cn2)cn1 346114034 GFTNVYIDXFYZLV-GFCCVEGCSA-N 322.210 2.704 0 40 DFAB COC(=O)C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1 675030087 JYJYHPYUEUEHPV-OAHLLOKOSA-N 311.337 2.687 0 40 DFAB COCCNc1nc(Nc2ccc(C)cc2)c2nccnc2n1 9074179 RPNNOBCTHODTDU-UHFFFAOYSA-N 310.361 2.530 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 20100436 QOZMSLVUMGUXGT-UHFFFAOYSA-N 318.461 2.750 0 40 DFAB COc1cc(OC)c(OC)cc1CNCc1nc(C)cs1 30636007 HXNDHQVUIQPNOT-UHFFFAOYSA-N 308.403 2.767 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2C)cc1 111408 BMVONXNWKWLFDZ-JTQLQIEISA-N 320.418 2.642 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)c1 40513542 FUJARWFWWVLLNV-OAHLLOKOSA-N 322.311 2.829 0 40 DFAB Cc1ccc(C(=O)C[C@H](NCc2cccs2)C(=O)O)cc1 42763 PACRJFSRZTUOJB-AWEZNQCLSA-N 303.383 2.872 0 40 DFAB CC(C)NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 45617835 VIWBECHFDOXALP-UHFFFAOYSA-N 301.795 2.827 0 40 DFAB Cc1ccc(Nc2ncc(F)c(N3CCOCC3)n2)cc1C 377648 FEZJYSKSFKKDOE-UHFFFAOYSA-N 302.353 2.813 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(NC(N)=O)cc1 45783180 VUSUMSISKRWCSR-SECBINFHSA-N 319.311 2.946 0 40 DFAB COc1ccc(C(=O)OCOC(=O)c2ccc(OC)cc2)cc1 1681978 AFKYCJAUKYHSRR-UHFFFAOYSA-N 316.309 2.675 0 40 DFAB CCn1c(=O)c(C)nc2cc(C(=O)NC3CCCCC3)ccc21 6485490 AIJCYJANXBEYQB-UHFFFAOYSA-N 313.401 2.787 0 40 DFAB Cc1ccc(-c2cc(C(=O)O)n3nc(C(F)(F)F)nc3n2)cc1 8391773 XUXYNNDKWZIVCQ-UHFFFAOYSA-N 322.246 2.817 0 40 DFAB COc1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC 519716 WVOKKZCXBMAZKV-MRXNPFEDSA-N 315.325 2.994 0 40 DFAB biogenic O[C@H](CN1CCN(CCCc2ccccc2)CC1)c1ccccc1 69625113 GOAMIEAEVTWORA-OAQYLSRUSA-N 324.468 2.970 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ccc[n+](C)c2)cc1 794883 ORICTQVACSYLLN-GOSISDBHSA-N 311.405 2.887 0 40 DFAB Fc1ccc(-c2n[nH]cc2CNC[C@@H]2CCN(C3CC3)C2)cc1 42229198 BONKLBYUGNBZOC-ZDUSSCGKSA-N 314.408 2.790 0 40 DFAB O=C(C[C@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 46763879 FEMXKMPJVVXEOW-CABCVRRESA-N 317.385 2.690 0 40 DFAB Cn1cc(CCNC(=O)c2cc3c(s2)CCCCC3)cn1 53970660 JOZSYNCMYNBHCG-UHFFFAOYSA-N 303.431 2.723 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)c1 101275247 JJQRLBBOEXGSIC-OAHLLOKOSA-N 310.353 2.748 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccccn1 55520527 LRYFPBDYKXBSNQ-OAHLLOKOSA-N 310.353 2.717 0 40 DFAB CONC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 25821605 FIYOVCYIBDHTLG-UHFFFAOYSA-N 314.172 2.838 0 40 DFAB COc1cccc(-c2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)c1 100071895 JHWFOTKKGZXIFH-UHFFFAOYSA-N 318.336 2.760 0 40 DFAB COc1ccc2nc(NC(=O)NCc3cc(C)no3)sc2c1 61733021 DRSMUOGDWKVDGS-UHFFFAOYSA-N 318.358 2.923 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@H]2COc3ccccc3C2)c1 26784254 MLXIXQFBAPFADD-CQSZACIVSA-N 310.397 2.734 0 40 DFAB Cc1ccc2cc(-c3noc(CCC(=O)O)n3)c(O)nc2c1C 22119560 WVUXBSXWPUWFNN-UHFFFAOYSA-N 313.313 2.624 0 40 DFAB O=C(NCC1CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 27467033 DGKCVTVUPMGMKY-UHFFFAOYSA-N 320.190 2.979 0 40 DFAB CC(C)CCc1noc(CN(C)CC(=O)Nc2ccccc2)n1 58193174 IVQAWNFFIAMSNB-UHFFFAOYSA-N 316.405 2.729 0 40 DFAB CC(=O)c1c(C)cc(C)c(COC(=O)c2nccnc2N)c1C 44894311 TVCAQTRPQOZKLI-UHFFFAOYSA-N 313.357 2.544 0 40 DFAB CC(C)(C)C[C@H]1CCCN1C(=O)c1cnc2ccccn2c1=O 58393907 ROJCTHPRDCHIKB-CYBMUJFWSA-N 313.401 2.735 0 40 DFAB COc1cccc(OCC(=O)NCC2(c3cccs3)CC2)c1 22680358 RMIHIMCEVWAJCN-UHFFFAOYSA-N 317.410 2.984 0 40 DFAB CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 69664693 WHKYDHGMLKBXCX-MEDUHNTESA-N 312.479 2.771 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2noc3ccccc23)c1 70038480 CMFNILQYFPLLQZ-CQSZACIVSA-N 324.384 2.566 0 40 DFAB COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)OC 70040737 AAGVQIUZAMNWMQ-MFKMUULPSA-N 319.323 2.886 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cccc[n+]2[O-])c1 3222902 ALHHLHQTAJRUSA-GFCCVEGCSA-N 316.382 2.642 0 40 DFAB COc1cc(CNC(=O)NC[C@@H]2CC=CCC2)cc(OC)c1O 69743802 HHCPCHRMMSUMLX-GFCCVEGCSA-N 320.389 2.565 0 40 DFAB Cc1noc([C@@H](C)N2CCN(Cc3cccc(F)c3F)CC2)n1 69348238 PYUIPTLRKLORGZ-LLVKDONJSA-N 322.359 2.535 0 40 DFAB CON(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12759806 LARQWLXEYUSDRY-UHFFFAOYSA-N 303.337 2.524 0 40 DFAB COC(=O)c1ccc(COc2ccc(C(C)=O)cc2OC)o1 3523136 XSQAQCGQDIJACN-UHFFFAOYSA-N 304.298 2.856 0 40 DFAB CNC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408618284 FTTUEGLVDLEECM-UHFFFAOYSA-N 322.459 2.763 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 4074048 CARZWZVFSHUEKS-ZXIHIIQKSA-N 318.442 2.950 0 40 DFAB biogenic CC(=O)N(C)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 69535747 VJPRYKZRWVKZGI-VIFPVBQESA-N 317.216 2.691 0 40 DFAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 4452457 QJWKZTSWJHXIGL-UHFFFAOYSA-N 312.321 2.806 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2[C@@H](C)c2nc(C3CC3)no2)n1 69920666 BSOWFQLYDMQOEF-DZGCQCFKSA-N 315.421 2.986 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccccn1)c1ccccc1Cl 14120581 VUTZPGVVZWNXDE-CQSZACIVSA-N 318.760 2.769 0 40 DFAB Cc1c(CC(=O)N2CCCCC2)c(=O)oc2c(C)c(O)ccc12 4540644 LVCMAKPXUXTIFT-UHFFFAOYSA-N 315.369 2.670 0 40 DFAB CC(C)C(=O)Nc1ccc(Nc2ncnc3c2cnn3C)cc1 14220199 NCMJHJPDAWKQID-UHFFFAOYSA-N 310.361 2.701 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(F)ccc1F 5676699 MLYNHGFSZKKQOJ-UHFFFAOYSA-N 305.280 2.917 0 40 DFAB CCNc1nc2c(s1)[C@H](c1ccc(OC)c(O)c1)CC(=O)N2 15110103 POMIPGPRHJYSMA-VIFPVBQESA-N 319.386 2.763 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC[C@H](O)c1ccccc1Cl 90077214 ZASQSTALCOMQFX-ZBFHGGJFSA-N 305.809 2.774 0 40 DFAB COc1cc(/C=C/C(=O)N2CCCC[C@@H]2CCO)ccc1F 90165095 UWFYZDJBXXMXMH-IZPAUZPXSA-N 307.365 2.611 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(N)s2)c1C 7550302 KLCNHHBEIDYSHF-QMMMGPOBSA-N 324.431 2.631 0 40 DFAB O=C(NCCCCn1ccnc1)NC[C@H]1C[C@@H]1c1ccccc1 89827982 YZBWAPVYEWKGML-IAGOWNOFSA-N 312.417 2.766 0 40 DFAB O=C(NCCc1cccc(O)c1)c1cnc([C@@H]2CCCO2)s1 89800429 FYJNEHCUEGSBPN-ZDUSSCGKSA-N 318.398 2.673 0 40 DFAB O=C(CCc1nc(-c2cccs2)no1)NCc1ccco1 9454495 IFNTWQZVTREOTE-UHFFFAOYSA-N 303.343 2.640 0 40 DFAB O=S(=O)(N1CCCC1)N1CCC[C@@H]1c1ccc(Cl)cc1 71856537 UQGHVQIKYNDOLE-CQSZACIVSA-N 314.838 2.818 0 40 DFAB c1ccc2oc(N(C[C@H]3CCCO3)C[C@H]3CCCO3)nc2c1 71811070 BPPNGOISGMNBGA-ZIAGYGMSSA-N 302.374 2.992 0 40 DFAB CC1=C(C(=O)NCCN2CCC(C)CC2)Cc2ccccc2O1 76060980 HHHNZLFTTINDMY-UHFFFAOYSA-N 314.429 2.744 0 40 DFAB CCc1cnccc1C(=O)N(CC(=O)OC)c1cccc(F)c1 97050464 HXEHVDWSHICBDX-UHFFFAOYSA-N 316.332 2.603 0 40 DFAB COc1cc(CO)c(OCc2ccc(F)c(F)c2)c(CO)c1 97081947 FZUHOPYSFFUMAF-UHFFFAOYSA-N 310.296 2.537 0 40 DFAB COC(=O)[C@H](C)N(Cc1nnc(-c2cccc(C)c2)o1)C1CC1 84213218 DIRASPRZMRHSKX-LBPRGKRZSA-N 315.373 2.571 0 40 DFAB Cc1cc(N)n(-c2nc(-c3ccc4c(c3)OCCO4)cs2)n1 72332476 DMLNRCSSMRQGPE-UHFFFAOYSA-N 314.370 2.658 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)Nc2cc(C)on2)o1 76780250 CIQPYDZGBFOKQO-GFCCVEGCSA-N 305.334 2.744 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)NC[C@]2(C)CCCS2)c1 84673478 WOQFEPXPOOGTSN-XOBRGWDASA-N 312.460 2.831 0 40 DFAB CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1nc(C)cs1 84734860 XRFNMCCRKBDIML-SNVBAGLBSA-N 301.375 2.604 0 40 DFAB C[C@H](C[C@@H](O)c1cccs1)NC(=O)CC1(O)CCCCC1 95434469 VBJZDDRIABNLFK-CHWSQXEVSA-N 311.447 2.762 0 40 DFAB COC(=O)c1ccccc1CC(=O)NCCc1ccc(F)cc1 95456757 IFCKGADJUSKNHG-UHFFFAOYSA-N 315.344 2.514 0 40 DFAB OCC[C@@H](Nc1ncc(Br)cn1)C1CCCCC1 78798565 WNWXYXPXLCQMFT-GFCCVEGCSA-N 314.227 2.982 0 40 DFAB O=C(NC[C@@H](O)c1ccsc1)c1sccc1OC(F)F 73147152 DKMDXEMCMSIKQJ-MRVPVSSYSA-N 319.354 2.874 0 40 DFAB CC(C)c1n[nH]c([C@H]2CN(CCc3cccs3)CCO2)n1 78892920 NWFCTVZKQCFGFJ-CYBMUJFWSA-N 306.435 2.606 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H]1CCCc2c1cnn2CC 78890612 LCLOKODZYVPKRC-GZBFAFLISA-N 306.454 2.563 0 40 DFAB Cc1nc(N[C@H]2CCCn3ncnc32)nc(C)c1CC(C)C 95964507 ZWCYYFOXCFPNDI-AWEZNQCLSA-N 300.410 2.830 0 40 DFAB CSc1ccc(S(=O)(=O)Nc2cccnc2N(C)C)cc1 95946300 RVDWBZZBUMXBJV-UHFFFAOYSA-N 323.443 2.670 0 40 DFAB Cc1noc(C)c1CN1CCC(CC(=O)NC2CCCC2)CC1 95954927 CHMFDSZHSPGLRE-UHFFFAOYSA-N 319.449 2.952 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccoc2)C1 120060380 LVRYUAKBUBJNMV-STQMWFEESA-N 308.378 2.845 0 40 DFAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(C)=O)C1 72358425 TUKSMTCPGPLSFK-AWEZNQCLSA-N 311.385 2.878 0 40 DFAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](C)O 72224698 HYKYCEBFFKKQTR-CYBMUJFWSA-N 321.421 2.500 0 40 DFAB Cc1cccnc1CNC(=O)N[C@H](C)CCc1cccn1C 74107231 FKSNRBCXBUBOBL-CQSZACIVSA-N 300.406 2.549 0 40 DFAB N[C@@H](c1ccccc1)c1ccc(I)nc1 72225938 KAROVFOCIJEJFQ-LBPRGKRZSA-N 310.138 2.734 0 40 DFAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1 74715254 LWRWSCOGNDGLFM-AWEZNQCLSA-N 324.336 2.538 0 40 DFAB biogenic COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C2CCC2)cc1 44889149 KQTAQWMIJRXGGK-INIZCTEOSA-N 319.401 2.994 0 40 DFAB Cc1cc(-c2cc3nc(C)c(C)c(NCCO)n3n2)c(C)o1 72337448 YDSUUQKGUHWBKO-UHFFFAOYSA-N 300.362 2.627 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@@](C)(OC)C2CC2)ccc1OC 225812022 LERIFGMYVBVMRI-KRWDZBQOSA-N 321.373 2.626 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1 223315104 KQMGZFOQMSKFCZ-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB N[C@H](CC(=O)O)c1cc(Br)ccc1OC(F)F 44215912 HMRMYVZFYOGUGR-SSDOTTSWSA-N 310.094 2.525 0 40 DFAB Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 40267268 QDWLSQDMNFMQAF-UHFFFAOYSA-N 320.396 2.536 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1C 225869977 MCFMMEFKFXQMRV-UHFFFAOYSA-N 312.369 2.674 0 40 DFAB COc1ccc(OC[C@H](C)NC(=S)Nc2cccnc2)cc1 225269001 RIFRBBUGFWVABU-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB CC[C@H](NC(=O)CNC[C@H]1CCCO1)c1cccc(Cl)c1 195543165 PVDHNIGGTGRMNV-CABCVRRESA-N 310.825 2.676 0 40 DFAB O=C(c1cccnc1)N1CCC2(CC1)CNc1c(F)cccc12 96261782 MHPZYCOAJJGICZ-UHFFFAOYSA-N 311.360 2.820 0 40 DFAB COc1cc(CNC(=O)CC[C@H]2CCCO2)c2ccccc2n1 96425930 YYFVBZICFSHDCC-CQSZACIVSA-N 314.385 2.819 0 40 DFAB CC(C)[C@H](N)CCN(C)C(=O)c1sccc1Br 97228975 NBGLRQBTMSJISM-SNVBAGLBSA-N 319.268 2.956 0 40 DFAB CC(C)Cc1sc(Cl)nc1C(=O)NC[C@H]1CCCO1 96231778 MBSWMQVACHQYEM-SECBINFHSA-N 302.827 2.904 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)N[C@@H]1C[C@@H]1C1CCCCC1 96437575 QKRAJYURFFTVLE-IAGOWNOFSA-N 305.466 2.881 0 40 DFAB C[C@H](CCc1ccc(O)cc1)N[C@H]1CCN(CC(F)(F)F)C1 96477105 ZCDKFTGSQZWSKP-OCCSQVGLSA-N 316.367 2.940 0 40 DFAB CCCc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)sc1C 331588534 KNVKMJQJYRXJID-GFCCVEGCSA-N 321.402 2.606 0 40 DFAB c1cncc(OC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccco3)O2)c1 96186111 IJFWBDYTKCJTBC-BZSNNMDCSA-N 314.385 2.876 0 40 DFAB CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@H](O)C(F)(F)F)c1 96491423 CKSXASAXHCTQLR-CABZTGNLSA-N 320.311 2.781 0 40 DFAB CCOCCN1CCN(C(=O)Nc2ccccc2C)C[C@H]1CC 97098804 NMJVIQMWRPTXOQ-MRXNPFEDSA-N 319.449 2.960 0 40 DFAB CO[C@H](C(=O)Nc1ccccc1-n1ccnn1)c1ccccc1 97236537 NSFHDYAUCOUPNR-INIZCTEOSA-N 308.341 2.594 0 40 DFAB CN1CCC[C@@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)C1 90563069 FULWOHICHVGIAN-ZDUSSCGKSA-N 321.852 2.750 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2ccccc2)C1 95472417 DVBTVVKFEMBSPT-KRWDZBQOSA-N 313.401 2.559 0 40 DFAB COc1ccc(Cl)cc1[C@@H](C)NC[C@](C)(O)c1cnn(C)c1 95423105 RBJPMZVNXMESGK-BZNIZROVSA-N 323.824 2.640 0 40 DFAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)c3cc(C)oc3C)C2)C1 96107219 WREDTQOGHDBLOX-PBHICJAKSA-N 307.390 2.697 0 40 DFAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2ccccc12 96041955 KRRUSYGGKGYQMZ-OKZBNKHCSA-N 311.381 2.858 0 40 DFAB CC(C)[C@H](O)CNC(=O)Nc1ccc(F)cc1Br 96420123 TYCKAAAXHYIEHY-LLVKDONJSA-N 319.174 2.727 0 40 DFAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCS(=O)(=O)CC1 330707178 MIHSEOIWUXIQEM-CQSZACIVSA-N 323.458 2.639 0 40 DFAB CC(C)[C@@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccncc1 96484574 RODZGOAFPWHLSI-OWCLPIDISA-N 305.422 2.581 0 40 DFAB O=C(CC1CCOCC1)Nc1csc(N2CCCCC2)n1 96496596 RMNUZHIWTCEMMU-UHFFFAOYSA-N 309.435 2.889 0 40 DFAB CN(C)C(=O)c1cccc(CCNC(=O)c2cccc(F)c2)c1 96423174 WHDVQTWYKBRGHA-UHFFFAOYSA-N 314.360 2.500 0 40 DFAB C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1)n1cncn1 245316848 KVWGHGJHCFSPOK-HYVNUMGLSA-N 312.417 2.757 0 40 DFAB CCN(CC)C(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21 248253581 NGDJLVPDWHKCFX-CNDLSXRNSA-N 313.397 2.915 0 40 DFAB Cc1nc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cs1 247983330 YAZSDALBMPJQJO-CJNGLKHVSA-N 313.426 2.546 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257321132 WAEWIRNTZQKLCF-NSHDSACASA-N 303.387 2.572 0 40 DFAB Cc1ncccc1C(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 257281446 OPFDHOXOMPQORK-INIZCTEOSA-N 321.384 2.800 0 40 DFAB CN(C)C(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)(C)C)s1 257272268 NBSGEAXLNSCDSL-LLVKDONJSA-N 323.462 2.945 0 40 DFAB O=C(c1c[nH]cn1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 257204568 AVFXQTPSZLDOSV-ZDUSSCGKSA-N 306.369 2.663 0 40 DFAB Cc1ccsc1CNC(=O)N1CCC(Cn2cccn2)CC1 265695124 OOPLZBZCIQIWHU-UHFFFAOYSA-N 318.446 2.875 0 40 DFAB COc1ccc(/C=C\C(N)=O)cc1OCc1cccc(F)c1 361634183 JBLQJQZNNHRUHS-VURMDHGXSA-N 301.317 2.912 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccc(OC)cc1 298121035 UODRTFXATGUAPI-AWEZNQCLSA-N 320.433 2.644 0 40 DFAB COC(=O)CN[C@@H](c1ccc(Cl)cc1)c1ccccc1N 96102801 GCZGKMPQCHGBOW-INIZCTEOSA-N 304.777 2.774 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)NCc1cncc(C2CC2)c1 575606916 VVQGHQOHZXWBEW-UHFFFAOYSA-N 320.389 2.885 0 40 DFAB CCCOc1cc(C)ccc1NC(=O)NCCNC(=O)C(C)C 47765914 IOTVZAUJPVCVDR-UHFFFAOYSA-N 321.421 2.678 0 40 DFAB Cc1ccccc1C1(O)CCN([C@H](C(N)=O)c2ccccc2)CC1 72795071 VSTUTOSZIXEQIL-SFHVURJKSA-N 324.424 2.505 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CC1CCCC1 95458936 AWJQLPFTJIBARR-OAHLLOKOSA-N 305.422 2.517 0 40 DFAB C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1-c1ccccc1 84637238 MTDCZPSMERIUCQ-CQSZACIVSA-N 319.426 2.745 0 40 DFAB C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)CC1(C)OCCO1 96443733 RWDNDTZPSNFBSO-MRVPVSSYSA-N 321.204 2.841 0 40 DFAB O=S(=O)(c1ccc(Cl)nc1)N1CCCc2ccccc21 339789 KOHOJAGLEICSJK-UHFFFAOYSA-N 308.790 2.877 0 40 DFAB CCc1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 5069359 IVHILBWAMFAWPX-INIZCTEOSA-N 310.353 2.977 0 40 DFAB C[C@H](Cc1ccccn1)NC(=O)C[C@@H](C)n1nnc2ccccc21 19457032 NTCGEPRWUIKTKJ-ZIAGYGMSSA-N 323.400 2.525 0 40 DFAB Cn1nccc1CN1CCC[C@H](COc2ccccc2F)C1 19658540 ANAOHFQYFJIXGI-AWEZNQCLSA-N 303.381 2.850 0 40 DFAB Cc1nc(O)cc([C@H]2COCCN2Cc2cccc3[nH]ccc23)n1 1848353932 MWUAJQDSDUHVPA-QGZVFWFLSA-N 324.384 2.545 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(C)s1 24069935 UOEFLSZOOVDQDX-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CCCCN[C@@H](CC(=O)Nc1c(C)cc(C)cc1C)C(=O)O 5258420 KWOCXJMDZARCIG-AWEZNQCLSA-N 306.406 2.783 0 40 DFAB O=C(c1ccccc1Cl)N1CC(COc2cccnc2)C1 1775969284 ITSVPDKRJDJIJU-UHFFFAOYSA-N 302.761 2.886 0 40 DFAB c1csc(OC2CCN(c3ncnc4c3CCCC4)CC2)n1 2086875489 KFKDFYOTFDTREV-UHFFFAOYSA-N 316.430 2.860 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 13348682 AYTYVEGEQZVZNY-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@@](O)(c1ccco1)C1CC1 75154894 HKPYPZOZLXUYPM-KRWDZBQOSA-N 319.788 2.890 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)Nc2cccs2)cc1 90611979 UWOUFDRNZXNSTM-ZDUSSCGKSA-N 305.403 2.669 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccco1 40487642 FVDUSKKGGVBTLB-UHFFFAOYSA-N 302.330 2.740 0 40 DFAB CCCn1nc(C(=O)N2CCCCc3ccccc32)ccc1=O 40548611 WFORMLLYALSDAR-UHFFFAOYSA-N 311.385 2.636 0 40 DFAB Cc1noc(CCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)n1 40515981 KJRPNBZGYNRNAD-SECBINFHSA-N 320.418 2.921 0 40 DFAB CCOC(=O)[C@H]1CCN(C(=O)OCC)C[C@@H]1c1ccccc1 1857794343 INJJSINTERZHQT-LSDHHAIUSA-N 305.374 2.812 0 40 DFAB COc1ccc(C(=O)Cn2c3ccccc3n3nc(C)nc23)cc1 85350 ZRSZLTIFHUENOI-UHFFFAOYSA-N 320.352 2.884 0 40 DFAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NC1CCCC1 29207233 IBFHOPRUKNJVGL-MRXNPFEDSA-N 317.433 2.569 0 40 DFAB Cc1cccc(C)c1NC(=O)COC(=O)c1c(C)noc1C 3564837 MPFRKTMOAGOJHX-UHFFFAOYSA-N 302.330 2.704 0 40 DFAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4794880 GUILWQHLLVHRFG-BVIHXZOGSA-N 301.342 2.547 0 40 DFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(Cl)c[nH]1 32777176 IXWCSEJSEAWZDU-CQSZACIVSA-N 318.760 2.845 0 40 DFAB NC(=O)[C@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 52392248 RLLJUEABZXBUKT-LBPRGKRZSA-N 324.409 2.670 0 40 DFAB NC(=O)[C@H](OC(=O)c1cccc(OC(F)F)c1)c1ccccc1 32869118 VVUZPAFCEJFOCK-CYBMUJFWSA-N 321.279 2.671 0 40 DFAB c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)ccn1 107752011 DUKHZAFUFCEBLM-OALUTQOASA-N 316.445 2.879 0 40 DFAB C[C@H](NC(N)=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 69654931 KQYWLYZIVJVQPB-LBPRGKRZSA-N 319.405 2.641 0 40 DFAB COC(=O)C[C@H](NC(=O)c1cc(C)oc1C)c1cccs1 32900548 SNYTZFBZRLHWSG-LBPRGKRZSA-N 307.371 2.992 0 40 DFAB CC[C@@H](C)C(=O)NCc1ccc(OC[C@@H]2CCCO2)c(OC)c1 32931008 YCFOLMOJPCBAED-HIFRSBDPSA-N 321.417 2.915 0 40 DFAB O=C(NC[C@H](NC(=O)C1CCC1)C1CCCCC1)C1CCC1 69739861 ZHGVFGGZEMDWNX-INIZCTEOSA-N 306.450 2.768 0 40 DFAB Cc1cccc(-c2nnc3s/c(=C\c4ccccc4)c(=O)n23)c1 9189341 NAIFKCUKITVJJN-PTNGSMBKSA-N 319.389 2.674 0 40 DFAB Cc1ccc(C[C@H]2CC(=O)N(c3nc(C)cc(C)n3)C2=O)cc1 100914024 RPVRFDSXMTXJPS-HNNXBMFYSA-N 309.369 2.524 0 40 DFAB CCc1c(C(=O)Nc2ccn(C)n2)cnn1-c1ccc(F)cc1 24628198 MADRLQCEAWUJDO-UHFFFAOYSA-N 313.336 2.560 0 40 DFAB Cc1ccc(CN(C)C(=O)C[C@H](C)NC(=O)c2ccccc2)o1 25449670 FFQRBYIGSNLZJC-ZDUSSCGKSA-N 314.385 2.755 0 40 DFAB CC[C@@H]1CN(C(=O)C2(c3ccccc3OC)CC2)C[C@H]1N(C)C 89948335 SYOMHJYMOYFSFD-GDBMZVCRSA-N 316.445 2.525 0 40 DFAB O=C(Nc1ccnc2ccnn12)c1sccc1Br 108719920 UCHQSBHTONBLTR-UHFFFAOYSA-N 323.175 2.806 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1C 58007806 ATKAEHRKZJAJGD-UHFFFAOYSA-N 320.414 2.609 0 40 DFAB CCCCNC(=O)CN1CCC(Nc2ccccc2C)CC1 58245334 HBADODILWBFQMB-UHFFFAOYSA-N 303.450 2.788 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)O)c1 58355006 YWGPYMQJERRHJX-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1ccc([C@H](NC(=O)Nc2ccn(C)n2)C(C)C)cc1 10585923 JZVWXFQFNVXCDP-OAHLLOKOSA-N 302.378 2.948 0 40 DFAB CC(C)(C)n1cc(C(=O)NCCCN2CCCCCC2)cn1 58841333 YDIKZWMHBFBWTD-UHFFFAOYSA-N 306.454 2.634 0 40 DFAB Cc1nc2cc(NC(=O)CCn3c(C)csc3=O)ccc2o1 12809060 OEQWXSSFGQVLCA-UHFFFAOYSA-N 317.370 2.697 0 40 DFAB c1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)cs2)cc1 69459901 VRRAZFAFMKMRCO-CYBMUJFWSA-N 311.414 2.506 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@H]2COC3(CCCCC3)O2)s1 38568538 RNTKXQAZGNXLKY-LBPRGKRZSA-N 310.419 2.566 0 40 DFAB CC(C)(C)c1nc(CN2CCC[C@@H]2Cn2cncn2)cs1 69518106 IOUSYGODLYWHPP-CYBMUJFWSA-N 305.451 2.697 0 40 DFAB Cc1ccc([C@H](CNC(=O)Nc2ccncc2)N2CCCC2)o1 69568898 WCYNEAWMHJCVDR-HNNXBMFYSA-N 314.389 2.942 0 40 DFAB O=C(COCC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 13844775 SJYJDUCRSLWURJ-UHFFFAOYSA-N 324.808 2.744 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccccn2)CC1 9183700 HBPLQUYHUFYJOR-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 69922543 CDSUDXPEKIGBIP-CABCVRRESA-N 305.422 2.568 0 40 DFAB O=C(CN1CCC[C@@H]1CCCO)Nc1cc(Cl)ccc1F 69976923 HSKISZASNPRSES-GFCCVEGCSA-N 314.788 2.655 0 40 DFAB COc1c(CN[C@H]2COc3ccccc3C2)c(C(C)C)nn1C 65578057 QBMCISJUXMTYGN-CQSZACIVSA-N 315.417 2.645 0 40 DFAB CC(C)C[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)O 5302407 NCMWSMYMQQMZEA-LBPRGKRZSA-N 306.337 2.547 0 40 DFAB COc1ccc(-c2noc(CN(C)[C@@H](C)C3CC3)n2)cc1OC 65622116 KPCPJTFOTDFRPJ-NSHDSACASA-N 317.389 2.984 0 40 DFAB Cc1c(C)c(C)c(S(=O)(=O)NC2CCN(C)CC2)c(C)c1C 14252245 DDQUYIPNMUWZCA-UHFFFAOYSA-N 324.490 2.601 0 40 DFAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccncc1 4731580 LOSYRKGGSKCQSP-UHFFFAOYSA-N 319.748 2.954 0 40 DFAB COCc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 8707796 KISWESQLAYHFKH-UHFFFAOYSA-N 323.352 2.715 0 40 DFAB O=C(Cc1ccc(F)cc1)NCCCn1cnc2ccccc21 15137384 SWVALCMKIRDSDV-UHFFFAOYSA-N 311.360 2.924 0 40 DFAB CCCNCc1cc(=O)oc2cc(NC(=O)OCC)ccc12 18937937 LIRTUDMFCNOVRF-UHFFFAOYSA-N 304.346 2.861 0 40 DFAB CN(Cc1cc(=O)n2ccccc2n1)Cc1ccccc1Cl 15479437 GBXDRZBYMXIMTD-UHFFFAOYSA-N 313.788 2.980 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C)n1C 7234730 KCXKJKKUMOMDOL-UHFFFAOYSA-N 300.387 2.888 0 40 DFAB CCCOc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 15838954 QEIUTMTWIYYCQZ-UHFFFAOYSA-N 324.340 2.670 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1 7811763 ZBVNJMBHNRCRNL-CHWSQXEVSA-N 303.406 2.561 0 40 DFAB Cc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1 7917253 LMHVUYYEXOGMSN-UHFFFAOYSA-N 310.353 2.749 0 40 DFAB COc1ccc([C@H](O)CN[C@H](C)c2cc(O)ccc2OC)cc1 96006895 QBYQBODZMRPFGN-SJKOYZFVSA-N 317.385 2.794 0 40 DFAB O=C(NCCN1CCCC1)c1ccc(C2SCCS2)cc1 9497909 UJJTUQCTHBDRTF-UHFFFAOYSA-N 322.499 2.991 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC2CCCCC2)c1 9501847 FQXZVNAQTLBPBN-UHFFFAOYSA-N 317.389 2.666 0 40 DFAB CC1(C)CN(C(=O)c2cccn2Cc2cccs2)CCO1 71819859 JTXSTVZMQBRJML-UHFFFAOYSA-N 304.415 2.849 0 40 DFAB CN(C)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 71822614 YFZMBIRIIKIKAI-UHFFFAOYSA-N 319.836 2.847 0 40 DFAB Cc1ccccc1C[S@@](=O)[C@H](C)C(=O)NCc1ccccc1 71858840 RKQSHUBCJIICJK-QRQCRPRQSA-N 315.438 2.949 0 40 DFAB CC(C)C[C@H](C)n1nccc1NC(=O)COC[C@@H]1CCCO1 71904428 CZIFRTDQKDVAMK-KBPBESRZSA-N 309.410 2.624 0 40 DFAB Cc1cc([C@@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)n[nH]1 84111212 YLIOMTWHWXFOJR-QRQCRPRQSA-N 317.458 2.705 0 40 DFAB COc1ccc(C)cc1CN[C@@H](C)c1nnc2n1CCCC2 84142405 GMYXJNNDPYAETD-ZDUSSCGKSA-N 300.406 2.782 0 40 DFAB Cc1ncc(/C=C/C(=O)NC2(C(=O)O)CCC(C)CC2)s1 97036131 NQXCNHPRADOUHT-ONEGZZNKSA-N 308.403 2.614 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cscn1)c1ccccc1Cl 97017407 CXUBUCOFCYYRCE-SNVBAGLBSA-N 310.762 2.742 0 40 DFAB CCc1ncc(NC(=O)N(C[C@H](C)O)C2CCCCC2)cn1 97113455 DQDPRGKSTLHNOL-LBPRGKRZSA-N 306.410 2.586 0 40 DFAB Cc1occc1CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 78868978 VRAXPIOBJVZUJL-UONOGXRCSA-N 322.405 2.898 0 40 DFAB Cn1cnc(S(=O)(=O)NCC2CCCCCCC2)c1Cl 84331759 VVDNLIFDDHAMMD-UHFFFAOYSA-N 319.858 2.712 0 40 DFAB C[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)c1cccc(F)c1 84656053 DXWRNIRPMOTYOM-JDFRZJQESA-N 303.381 2.988 0 40 DFAB C[C@@H](NC(=O)N1CCN(c2cccs2)CC1)c1ccncc1 95411049 DNLWTPJJFUQEBO-CYBMUJFWSA-N 316.430 2.736 0 40 DFAB C[C@H](OC1CCCCCC1)C(=O)NCCCNc1ncccn1 95414981 IQANKVIRPCQKPR-AWEZNQCLSA-N 320.437 2.523 0 40 DFAB CS(=O)(=O)CC1(CN2C(=O)c3cccc4cccc2c34)CC1 95454293 RBDFFJFSGXOORP-UHFFFAOYSA-N 315.394 2.625 0 40 DFAB CC[C@](C)(CCO)NCC(=O)N(C)[C@H]1CCCc2ccccc21 95996013 ROILSLDKQFQZCY-PKOBYXMFSA-N 318.461 2.663 0 40 DFAB CO[C@@H](C)c1noc(COc2cccc(C(F)(F)F)n2)n1 95990919 LLIWRMJICVUAKJ-ZETCQYMHSA-N 303.240 2.770 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3CCc4ccccc43)c12 75139750 GAVIQHPMGXHGTN-GFCCVEGCSA-N 309.373 2.527 0 40 DFAB c1cn(-c2ccc(CN3CCC[C@H](c4ccn[nH]4)C3)cc2)cn1 89787654 PJNONIUAMZVCQB-INIZCTEOSA-N 307.401 2.975 0 40 DFAB Cc1nc(-c2ccccc2)oc1C(=O)NCc1nc(C2CC2)n[nH]1 556390953 BXPVBYNXTKZLKL-UHFFFAOYSA-N 323.356 2.576 0 40 DFAB CC(C)CC[C@@]1(C2CC2)NC(=O)N(Cc2cccc(F)n2)C1=O 521395031 STUKGJUHQARQRI-KRWDZBQOSA-N 319.380 2.858 0 40 DFAB Cc1noc(CNC(=O)Nc2nc(CC(C)(C)C)cs2)n1 121289152 HYCSOOOLRLCDIU-UHFFFAOYSA-N 309.395 2.745 0 40 DFAB FC(F)(F)c1nc(Cl)c2nnn(Cc3ccccc3)c2n1 35290022 RFTBENKYMRPGFB-UHFFFAOYSA-N 313.670 2.942 0 40 DFAB Cc1nc(CNC(=O)[C@H]2SCCc3ccccc32)oc1C 79696716 AQEWLPWSIIOOKH-HNNXBMFYSA-N 302.399 2.938 0 40 DFAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)/C=C\c1ccccc1 71979761 DZGNTGMBHAPDHX-KVPUOBJLSA-N 315.369 2.672 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2Nc2ncc(C)s2)C1 72365553 SCERNSAWERSWTC-GFCCVEGCSA-N 317.418 2.711 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc[nH]c1=S 36397620 GHJSWAMNTJTXBK-UHFFFAOYSA-N 315.398 2.833 0 40 DFAB CCc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)n(C)n1 78988529 KSGYXZJVWZTELI-ZBFHGGJFSA-N 314.389 2.634 0 40 DFAB CC(C)N1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 72216603 VGBDJSYSOXRUHZ-KRWDZBQOSA-N 302.466 2.769 0 40 DFAB Cc1nnc(O)c(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1C 76392417 RFCIITZZVPLRTA-OLZOCXBDSA-N 317.776 2.738 0 40 DFAB CCCCOC(=O)c1cc(I)ccc1O 39951606 MUCIOYIHUWHBKH-UHFFFAOYSA-N 320.126 2.954 0 40 DFAB COc1nccc(N(C)C)c1NC(=O)[C@H](C)c1ccsc1 78077932 NQCRGLSDKXBWSB-SNVBAGLBSA-N 305.403 2.960 0 40 DFAB Cc1cc(F)ccc1NC(=O)C(=O)NCCCc1ccccc1 42646064 FSZPTLMEOMFDFY-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB C[C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H](C)O1 20444484 UFUVLJSJHCTZBU-STQMWFEESA-N 313.397 2.891 0 40 DFAB biogenic c1ccc(CN2CC[C@@H](c3nc(-c4cnccn4)no3)C2)cc1 571344501 SVDZNZUVEYRBQI-CQSZACIVSA-N 307.357 2.516 0 40 DFAB COc1ccc(C(C)=O)c(OCc2ccnc(N(C)C)c2)c1 195563392 JFVUKVJACVLWLA-UHFFFAOYSA-N 300.358 2.938 0 40 DFAB C[C@@H](C(=O)O)[C@@H](NC(=O)Cc1ccsc1)c1ccccc1 195551149 ARDNSLSQCHDZGH-IAQYHMDHSA-N 303.383 2.869 0 40 DFAB COC(=O)C(C)(C)c1ccc(Br)cc1[N+](=O)[O-] 147637560 HBDWMFVPZMFMOD-UHFFFAOYSA-N 302.124 2.808 0 40 DFAB CC(C)(C)OC(=O)N1CCC(O)(CNCc2ccccc2)CC1 91692869 VCXJTJJKILEODV-UHFFFAOYSA-N 320.433 2.538 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)Cc2cccs2)cs1 96218827 IXLQLHYDBNDCQK-ZDUSSCGKSA-N 308.428 2.656 0 40 DFAB C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)C1CCCC1 96403774 VGSZXYJQHVZIMI-GFCCVEGCSA-N 301.452 2.523 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CN[C@@H](C)CC(=O)N(C)C 97379770 NGDLAJGOEVARKP-ZFWWWQNUSA-N 304.434 2.572 0 40 DFAB COC(=O)Cc1ccc(OCc2noc3c2CCCC3)cc1 96412915 YRVFUABYKPXLIG-UHFFFAOYSA-N 301.342 2.848 0 40 DFAB Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)o1 96189733 IHDRLXJIEVINLF-INIZCTEOSA-N 312.413 2.807 0 40 DFAB CCN(CC)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 96435451 ZJFHUVPFBGNPRG-UHFFFAOYSA-N 318.356 2.553 0 40 DFAB COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 91690265 IKCBAIMGMPXTJB-CYBMUJFWSA-N 309.362 2.824 0 40 DFAB C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCN2C[C@H]1C 249691145 LDARSZITWJJGDR-BFYDXBDKSA-N 316.445 2.762 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)[C@H](C)CO1 245338803 OPDLMRNIDWKRHD-YGTYDBBMSA-N 315.413 2.851 0 40 DFAB COc1ccccc1[C@@H]1CNCCN1Cc1csc(C)n1 257269948 MSCMDAWUFFLAQU-HNNXBMFYSA-N 303.431 2.607 0 40 DFAB CC(C)N1CCC(c2cncc(N[C@@H]3CCCOC3)n2)CC1 257301759 RZVSEZSNFYJXJO-OAHLLOKOSA-N 304.438 2.655 0 40 DFAB Cc1c(C(=O)N2CC[C@H](c3ccn[nH]3)C2)c2ccccc2n1C 257288280 PTPDWFOLEKWJHH-ZDUSSCGKSA-N 308.385 2.840 0 40 DFAB O=C(c1cncnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257217990 DBKYALWMRHJNRT-CQSZACIVSA-N 318.380 2.730 0 40 DFAB C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)O 252585025 FQFJLBRFLWVQNY-JFUSQASVSA-N 315.291 2.646 0 40 DFAB COc1cccc2c(N3CCO[C@@H]([C@H]4CCCO4)C3)ccnc12 252587431 YGXPAWIWSNVOCJ-NVXWUHKLSA-N 314.385 2.628 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 43159366 GPTCNAASHVQIOS-SECBINFHSA-N 317.311 2.742 0 40 DFAB CCC(C)(C)NC(=O)c1ccc(NC(=O)NCCCOC)cc1 47811007 BFZMPPFSHIZHMQ-UHFFFAOYSA-N 321.421 2.763 0 40 DFAB Cn1ccnc1CSc1nnc(Cc2cccc(F)c2)o1 67753724 ADIPGEKJTRZEEQ-UHFFFAOYSA-N 304.350 2.825 0 40 DFAB CCc1cc(=O)n2nc(N3CCCC[C@@H]3C(C)C)sc2n1 70037972 VMWNMJBJHDFYQL-GFCCVEGCSA-N 306.435 2.728 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)Cc1cc(-c2ccccc2)on1 84636967 LMDLSGIVIZFLBG-ZDUSSCGKSA-N 316.401 2.797 0 40 DFAB C[C@H]1C[C@H](NC(=O)c2cc(CN3CCCC3)on2)CC[C@H]1C 583726907 JIFRHZLQWGIRBW-HZSPNIEDSA-N 305.422 2.825 0 40 DFAB CC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 5089636 JXEMSDSPVSIVPZ-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB CC(=O)Nc1ccc(OCC(F)(F)C(F)F)c(NC(C)=O)c1 11692352 FGSDAVBNOVCHRN-UHFFFAOYSA-N 322.258 2.883 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CNCc1cccs1)OCO3 12468841 VHKIQZREXBCQLA-UHFFFAOYSA-N 314.366 2.608 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2 12756799 MWJXFIJYIYTMRO-NSHDSACASA-N 308.337 2.609 0 40 DFAB Cn1cc(-c2ccc([C@@H]3CCCN3Cc3ncc[nH]3)nc2)cn1 19688807 UZTAJDHCWKPPHA-INIZCTEOSA-N 308.389 2.542 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OC(F)F)cc1 35805584 JIEVJBJYYTTWPH-KGOITJQVSA-N 305.280 2.600 0 40 DFAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 1472509 OMSNEAMMGGNJMV-HNNXBMFYSA-N 310.353 2.748 0 40 DFAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)Nc1cccs1 85561100 SGYOTZXFHKYNDE-LLVKDONJSA-N 320.370 2.722 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)c2snnc2CC)C12CCCC2 96419199 WVNAIIRIKTUHLD-OLZOCXBDSA-N 323.462 2.910 0 40 DFAB O=C(CN1CCCC1=O)Nc1cccc(/C=C/c2ccccn2)c1 40476713 UVOHSDITSJADLC-MDZDMXLPSA-N 321.380 2.813 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1cc(F)cc2cccnc12 31607010 YPPPTNDTPOPOGL-UHFFFAOYSA-N 313.332 2.739 0 40 DFAB Cc1ccc2ncn(Cc3nc(-c4ccsc4)no3)c(=O)c2c1 40538835 ZEZDKTCWLKPXRK-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(C)=O 246398 UUDBSOVRIIOGRN-KRWDZBQOSA-N 306.406 2.856 0 40 DFAB Cn1ccs/c1=N\C(=O)COc1c(Cl)cccc1Cl 7780489 AATXRXMHPVOJGF-QINSGFPZSA-N 317.197 2.900 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ncc(C)s3)cn2)n1 32833275 IHSHRSWBUHMBAI-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)c1 53303956 CJJNLEYCVXUWRX-BETUJISGSA-N 319.449 2.704 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)NCC1(c2ccccc2)CC1 11901551 JRXVDFYWFVZRBK-UHFFFAOYSA-N 319.401 2.977 0 40 DFAB CCOC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O 489084 KPSNCQZIQKWYRC-UHFFFAOYSA-N 304.342 2.914 0 40 DFAB biogenic CCCCN(CC(N)=O)C(=O)c1csc(-c2cccs2)n1 32925580 DPZJOGHHJLEATI-UHFFFAOYSA-N 323.443 2.599 0 40 DFAB CC(=O)Nc1nc(C(=O)N2C[C@@H](C)c3ccccc32)cs1 60600385 WRXUCJBUWGDTRZ-SECBINFHSA-N 301.371 2.865 0 40 DFAB CC1(C)CC(Nc2nc3ccccc3c(=O)[nH]2)CC(C)(C)N1 41601565 RJJUBRFOAYXIRW-UHFFFAOYSA-N 300.406 2.644 0 40 DFAB CCN(CC)CCC[C@@H](C)NC(=O)c1cnc2onc(C)c2c1 61424414 OLTICIIQGAVZOC-GFCCVEGCSA-N 318.421 2.772 0 40 DFAB CCc1c(C(=O)N2CCSCC2)cnn1-c1ccc(F)cc1 53818666 MDBHXJRBTHEYHI-UHFFFAOYSA-N 319.405 2.763 0 40 DFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c(C)o1 106912662 BUAINAXHRMROCW-UKPHBRMFSA-N 312.369 2.973 0 40 DFAB Cc1nnc2n1-c1nnc(C)n1-c1sc3c(c1-2)CC[C@@H](C)C3 1425822 CTDPGCJWBNWSCQ-SSDOTTSWSA-N 312.402 2.632 0 40 DFAB C[C@H]1CN([C@H](CN)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 108350251 CJAJZFIMGRQREW-NTZNESFSSA-N 318.339 2.694 0 40 DFAB Cc1ccccc1CNC(=O)c1ccc(Cn2ccccc2=O)o1 26024124 RTLGACFXMXAMPC-UHFFFAOYSA-N 322.364 2.728 0 40 DFAB O=C(NCc1cccc(Cl)c1)N[C@@H]1c2ccccc2C[C@@H]1O 57003434 KDKGUHZWFIINHY-JKSUJKDBSA-N 316.788 2.798 0 40 DFAB COC(=O)[C@H](C)Oc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978203 GKSNRDOUVIYZGR-JTQLQIEISA-N 314.293 2.993 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)on1 10170235 OUMHETMAOPRROO-SECBINFHSA-N 300.318 2.872 0 40 DFAB Cc1nc(CNC(=O)NCCc2c(F)cccc2F)cs1 58158252 NCMBJZYHPWNDNJ-UHFFFAOYSA-N 311.357 2.772 0 40 DFAB Cc1ccccc1CCNC(=O)c1ccc(-n2ccnc2)nc1 44896682 LCHYPKKAQVGFFL-UHFFFAOYSA-N 306.369 2.548 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](C)Cc2ccco2)n1 44955541 UWTKOPBJZFBGGE-CHWSQXEVSA-N 318.421 2.659 0 40 DFAB CC(=O)Nc1nc(C(=O)N(C)CCCc2ccccc2)cs1 44940626 GEVROYHKQYMALL-UHFFFAOYSA-N 317.414 2.806 0 40 DFAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2CC2)CC1 58369755 HRDLZWZUSAUZSW-ZDUSSCGKSA-N 319.424 2.555 0 40 DFAB CCOC(=O)COC(=O)c1c(Cl)ccc(Cl)c1OC 2269984 AXTIAFHWHZYZSY-UHFFFAOYSA-N 307.129 2.722 0 40 DFAB Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)OCCO2 36391927 BOGWFTDLZNZGPI-UHFFFAOYSA-N 310.419 2.554 0 40 DFAB CC(C)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12748037 BTMNBTPERWRQPI-AATRIKPKSA-N 308.432 2.653 0 40 DFAB Cc1ccccc1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 12765656 NZWLRNANHCQEGS-UHFFFAOYSA-N 303.383 2.580 0 40 DFAB CCCCN(c1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 69701949 AEPXBUNLHFOEFQ-UHFFFAOYSA-N 307.419 2.724 0 40 DFAB Cc1cc([C@H](C)NC(=O)NCCC(=O)NC2CCCC2)c(C)o1 69586696 ACBPVQXUOJKIHZ-LBPRGKRZSA-N 321.421 2.706 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cccn2)o1 28226632 GDUQZLJTQUPVHW-UHFFFAOYSA-N 311.297 2.505 0 40 DFAB Cc1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1C 14182528 UKMSKUINBVTFQC-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCOC(C)C 4551632 NUSPEBJNZLEJNZ-UHFFFAOYSA-N 312.797 2.518 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)COc2ccccc21 15006979 VDEGSCZVLNNDRQ-CQSZACIVSA-N 318.417 2.743 0 40 DFAB Cc1c(C(=O)NC[C@@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 8990710 ZRCISVJGEKHCTQ-NSHDSACASA-N 305.374 2.652 0 40 DFAB O=C(COc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1 19335740 JSGXZVTVKZNLSL-UHFFFAOYSA-N 322.836 2.806 0 40 DFAB CCOc1ccc(Cl)c(C(=O)Nc2ccc(N(C)C)cn2)n1 68801792 BICSMDFBKZUBNN-UHFFFAOYSA-N 320.780 2.847 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)s2)o1 96005662 ZEYNREFINMUJBD-LLVKDONJSA-N 318.398 2.667 0 40 DFAB COCc1nc([C@H]2CCCCCN2C(=O)c2ccccc2)no1 96001264 IDYAPXHYUHUQMN-CQSZACIVSA-N 315.373 2.974 0 40 DFAB O=C(NCCc1cccnc1)[C@H]1CCCCN1Cc1ccccc1 89834941 FRQOBKHOCAUCON-LJQANCHMSA-N 323.440 2.795 0 40 DFAB CN(C)C(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 9450801 NFUSCGNYXGOYHF-UHFFFAOYSA-N 324.384 2.681 0 40 DFAB CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(F)nc1 96443169 NFAQQNJMETXOPP-UHFFFAOYSA-N 324.359 2.738 0 40 DFAB C[C@H](c1ccc(Br)cc1)N1CCS(=O)CC1 71900544 XELZHGHTAIZHPI-SNVBAGLBSA-N 302.237 2.574 0 40 DFAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1cccc2cc[nH]c12 97035959 ZQKXVHBMJLTJHH-HNNXBMFYSA-N 322.364 2.841 0 40 DFAB CCCCN(C)C(=O)CSc1ncncc1Br 97142321 GUAAIMMSKJDYCS-UHFFFAOYSA-N 318.240 2.590 0 40 DFAB C[C@H](NCCC(=O)NC1CCCC1)c1ccc([S@@](C)=O)cc1 95420744 XTAGPGSBSSNZCG-XMHCIUCPSA-N 322.474 2.524 0 40 DFAB CCCN(CC(=O)Nc1ccccc1OC)c1nccc(C)n1 95429734 XSSVJFZITAUQFW-UHFFFAOYSA-N 314.389 2.649 0 40 DFAB COc1ccsc1S(=O)(=O)NC1(c2ccccc2)CC1 95415271 ZJGJQKIUAGKQLE-UHFFFAOYSA-N 309.412 2.724 0 40 DFAB Cc1cccc2nc(CSc3nc4c(c(=O)[nH]3)CCC4)cn12 95464335 ROMSMEUFUCYJGZ-UHFFFAOYSA-N 312.398 2.507 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=O)c1 95400005 PGLHTOZJZNRTIQ-DLBZAZTESA-N 324.380 2.601 0 40 DFAB O=C(Nc1ccncc1O)c1cccc(OC[C@@H]2CCCO2)c1 95406669 UAYKZVGTMTZADA-AWEZNQCLSA-N 314.341 2.597 0 40 DFAB O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)C1CCOCC1 79071253 HURFLCJFZTXFQD-UHFFFAOYSA-N 313.357 2.979 0 40 DFAB C[C@@]1(c2ccccc2)CCCN(C(=O)CCn2ccccc2=O)C1 79095975 OOLWDHCMWRPDRW-HXUWFJFHSA-N 324.424 2.819 0 40 DFAB COc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)CSC)c12 95995219 DCLQGZMROBLXSF-NSHDSACASA-N 306.431 2.929 0 40 DFAB CN(Cc1ccn(C)c(=O)c1)Cc1ccccc1Br 95949540 RZIBBCHAUIRTPQ-UHFFFAOYSA-N 321.218 2.780 0 40 DFAB Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)Cc2cnccn2)c1 74769723 SCWGRWAUMHJVEG-HNNXBMFYSA-N 312.417 2.866 0 40 DFAB C[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H]1O 89424205 PYOVPMKDIHMXPY-IUODEOHRSA-N 316.426 2.577 0 40 DFAB COc1cccc(N2CCN(CCN3CCC[C@H](C)C3)CC2)c1 75092790 NIOAMJSXYYKFJZ-KRWDZBQOSA-N 317.477 2.549 0 40 DFAB O=C(CN(Cc1cccc(O)c1)CC1CC1)NC1CCCC1 89780630 OMFFBBDYLWRPHU-UHFFFAOYSA-N 302.418 2.663 0 40 DFAB CO[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1 306137818 RHHBSRKBYLXKOY-UZYOAWRESA-N 302.399 2.620 0 40 DFAB CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39768700 XBQMINUQIMZEIN-UHFFFAOYSA-N 322.324 2.947 0 40 DFAB COc1ccc(NC(=O)Cc2sc(C)nc2C)c(OC)c1 36359822 CSOKCGXEUWXXQI-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB COC(=O)c1nc(N)sc1-c1ccc(Br)cc1 38537208 BJJRSGFNTBHACP-UHFFFAOYSA-N 313.176 2.941 0 40 DFAB in-vitro CCOc1cccc(C(=O)N2CCN=Cc3cc(N)ccc32)c1 73642399 VHMVJPOBKMEFNP-UHFFFAOYSA-N 309.369 2.747 0 40 DFAB COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccc(C)cc3)cc2[nH]1 77303097 PRYHZIFGXMQOGE-UHFFFAOYSA-N 309.325 2.703 0 40 DFAB in-vitro CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)nn1 72287821 KMASGZYOMZUIBL-LBPRGKRZSA-N 324.384 2.839 0 40 DFAB COc1cccc(-c2noc(CCC(=O)NCCC(C)C)n2)c1 41185332 VXIWWRFFBMZTGV-UHFFFAOYSA-N 317.389 2.840 0 40 DFAB CC(C)(C)SCCSc1nnc(CN2CCCC2=O)o1 225776797 ZELVMZPKGJATGH-UHFFFAOYSA-N 315.464 2.816 0 40 DFAB COc1cccc(OC)c1CCC(=O)NCCCOC(C)C 225995771 NGNXBDKBVCTNBE-UHFFFAOYSA-N 309.406 2.568 0 40 DFAB CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1CC 130735359 FKRNIXJRHNPXQD-AAEUAGOBSA-N 321.421 2.911 0 40 DFAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC[C@@H]1CCCO1 224340338 VUYKMLZRRKUAKZ-ZFWWWQNUSA-N 303.402 2.628 0 40 DFAB COc1ccc(OCc2ncc(C(=O)O)c(NC(C)C)n2)cc1 49469552 LBNHQXHIHLNDPL-UHFFFAOYSA-N 317.345 2.583 0 40 DFAB CC[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cnn(CC)c1 195544750 SCSVYCHVEIOLFQ-IAGOWNOFSA-N 313.401 2.784 0 40 DFAB C[C@H](Nc1ccc(Oc2cnccn2)cc1)c1nnnn1C1CC1 225628181 CCOLOSCVCIDDBW-NSHDSACASA-N 323.360 2.763 0 40 DFAB CNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882610 VCUHQBBQFYSMSN-UHFFFAOYSA-N 309.163 2.783 0 40 DFAB O=C1CC[C@H](c2nc(C3CC3)no2)N1Cc1cccc(F)c1 44433118 XFUZSXPDECSHFS-CYBMUJFWSA-N 301.321 2.950 0 40 DFAB CCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 195530586 XHCIKJMJOQMBAX-JZXOWHBKSA-N 318.461 2.923 0 40 DFAB COc1ccnc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 195559730 YQCROERDVUHAJS-ZDUSSCGKSA-N 309.373 2.522 0 40 DFAB CC(C)N1CCC(N[C@H](CO)c2ccc(Cl)c(F)c2)CC1 195557918 VBSLKHIVQGQIKL-MRXNPFEDSA-N 314.832 2.975 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1 96192681 ULKDZVMFRPJRHD-PXAZEXFGSA-N 304.365 2.967 0 40 DFAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)NCc1cccs1 97377236 SFNRJQQLCZAYJU-LLVKDONJSA-N 306.435 2.816 0 40 DFAB COc1ncccc1C(=O)NC1(c2nccs2)CCCC1 96407336 ZEGZVGFGGRMDDA-UHFFFAOYSA-N 303.387 2.746 0 40 DFAB CCSc1cncc(NC[C@H]2CCN(CC(F)(F)F)C2)n1 96462039 USVBFRMOTCAWGC-SNVBAGLBSA-N 320.384 2.885 0 40 DFAB CC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(Cl)cc1)C2 96088715 IEMRPPOJXDJALJ-UHFFFAOYSA-N 320.820 2.815 0 40 DFAB C[C@@H](N[C@@H]1CCN2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F 96484355 YDMLKFFQWJASGX-HPTBWKMGSA-N 310.388 2.603 0 40 DFAB Cc1noc([C@H](C)N(C)Cc2cc(C(=O)O)ccc2Cl)n1 580095351 QNCODSXMQGOGRO-QMMMGPOBSA-N 309.753 2.923 0 40 DFAB COCCc1noc(-c2cc(Cl)c3c(c2)OCCCO3)n1 96405249 NEWQBHKCZMCHQQ-UHFFFAOYSA-N 310.737 2.740 0 40 DFAB Cc1cnc(CCNC(=O)Nc2cc(C3CCC3)nn2C)s1 96476205 KAVVMPKQASHFFH-UHFFFAOYSA-N 319.434 2.817 0 40 DFAB CCNC(=O)[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 96429299 WVCYIAWNUXSBOG-CYBMUJFWSA-N 301.365 2.726 0 40 DFAB COCCCNC(=O)Nc1cnn(-c2ccccc2Cl)c1 96422053 OGYFHJMCILAXJS-UHFFFAOYSA-N 308.769 2.684 0 40 DFAB CC(C)[C@H](O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1 96434717 FLXOSGJCARKXHA-OAHLLOKOSA-N 320.368 2.540 0 40 DFAB CN(C)C[C@@H]1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1 248146980 WCKGTYZJNQEWQL-HNNXBMFYSA-N 313.445 2.711 0 40 DFAB COC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253562169 CYVUCAGTJGDKIK-UHFFFAOYSA-N 307.419 2.538 0 40 DFAB O[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@]12CCCO2 257266832 MESFDHRXUGRMPO-GJZGRUSLSA-N 315.335 2.821 0 40 DFAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cscn2)ccn1 257287677 PRAVTBKBBWLHGL-MRXNPFEDSA-N 316.430 2.511 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(-c2c(C)noc2C)nc(C)n1 257245433 IPMMMPYSWVRASC-HNNXBMFYSA-N 300.362 2.740 0 40 DFAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1C(C)C 260380309 RTTIPDMAEACRHV-RWMBFGLXSA-N 322.478 2.818 0 40 DFAB O=C(N[C@H]1CCCc2[nH]ccc21)c1cc(F)c(F)c(O)c1F 390834097 RUFZGNYTLLUNSU-NSHDSACASA-N 310.275 2.945 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCCN(Cc2cccnc2)C1 585274808 OFFCAJQKFCHMMU-IBGZPJMESA-N 312.413 2.796 0 40 DFAB CCN(CC)CCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 44254544 RHYXWFAEBYOJLE-UHFFFAOYSA-N 308.470 2.833 0 40 DFAB Cc1sc(/C=C/c2ccnn2C2CCOCC2)nc1C(=O)O 685939113 UAFSHJLCUNPMKM-NSCUHMNNSA-N 319.386 2.868 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2ccc(COC)c(F)c2)C[C@@H](C)O1 95395172 LSYGSKCAGBVSTH-IUODEOHRSA-N 324.396 2.681 0 40 DFAB CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc(F)cc1F 89643058 MUMLLOOIDKBMNC-UHFFFAOYSA-N 305.390 2.610 0 40 DFAB O=S(=O)(c1cc(F)ccc1Br)C(F)(F)F 604221664 PHJSATLKEYZECF-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB O=c1[nH]c2ccc(-c3csc(NC[C@@H]4CCCO4)n3)cc2o1 7737295 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CNc1nccnc1[C@H]1CN(Cc2ccc3cc[nH]c3c2)CCO1 1848353842 XDWRWIRQOCDUTE-MRXNPFEDSA-N 323.400 2.573 0 40 DFAB CN[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl 32690959 VRXGAMGYPLOBMB-SECBINFHSA-N 316.015 2.986 0 40 DFAB Cc1nc(CN2CCN(Cc3cc(F)cc(F)c3)[C@@H](C)C2)co1 2086934245 ZNMJYGWKAIJRRU-LBPRGKRZSA-N 321.371 2.968 0 40 DFAB COc1cc2nc(NC(=O)c3cc(C)on3)sc2cc1OC 9204721 MKJMSLWYHDVCEF-UHFFFAOYSA-N 319.342 2.862 0 40 DFAB CO[C@H](CNC(=O)C(C)(C)OC(C)=O)c1ccc(Cl)s1 225704875 GSOAGNYVRMBOGC-SECBINFHSA-N 319.810 2.547 0 40 DFAB Nc1cc(NC(=O)/C=C/c2ccccc2)ccc1N1CCOCC1 20154160 CXXMBIJMPIPRJO-RMKNXTFCSA-N 323.396 2.757 0 40 DFAB O=C(NCc1cn2ccccc2n1)c1ccc2ccccc2n1 28833590 ICPDIXWOBWKHLN-UHFFFAOYSA-N 302.337 2.813 0 40 DFAB O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccccc1 20218751 XRSLWYZHBTZEPV-SFHVURJKSA-N 300.377 2.681 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 191585 QDFFRWOSQUHIFX-NSHDSACASA-N 317.316 2.638 0 40 DFAB Cc1nn2c(-c3ccc(Br)cc3)csc2nc1=O 409144 GMSBXKKQRPFCAX-UHFFFAOYSA-N 322.187 2.889 0 40 DFAB Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCO 2381530 RMFGDCBXXBBDHA-UHFFFAOYSA-N 302.326 2.973 0 40 DFAB CCCCNC(=S)N1CCN(c2ccccc2OCC)CC1 2664978 AHXBOHQBSZVUIT-UHFFFAOYSA-N 321.490 2.882 0 40 DFAB Cc1cnc(NC(=O)Cc2cnc(-n3cccc3)s2)s1 20745009 JXEKYPJUKPHYJB-UHFFFAOYSA-N 304.400 2.880 0 40 DFAB COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 3268332 FVQNVDPDMWZUDU-UHFFFAOYSA-N 316.382 2.597 0 40 DFAB C[C@@H](COc1ccccc1)N[C@@H](C)[C@H](O)c1ccc(O)cc1 3830969 BMUKKTUHUDJSNZ-DEYYWGMASA-N 301.386 2.871 0 40 DFAB in-man CC(=O)Nc1cccc(CN2CCC(c3nc(C)no3)CC2)c1 101545225 RSMGFMUAGQHLPC-UHFFFAOYSA-N 314.389 2.716 0 40 DFAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)c1 6731577 NEGQJMBXYFWYQC-PKIAMQTDSA-N 303.358 2.689 0 40 DFAB O=C(N[C@@H]1CCc2c(F)cccc21)N1CCOC[C@@H]1C1CC1 89891968 QIMYSYHECRRAFT-HZPDHXFCSA-N 304.365 2.633 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cccc(Cl)c1 2624680 MUMPAWRVMCGLRN-SNVBAGLBSA-N 307.733 2.795 0 40 DFAB CN(C)c1ccc2c(c1)Cc1cc(NC(=O)/C=C\C(=O)O)ccc1-2 8652581 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COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1cc(C)on1 28886929 KKIGTTYVSKQQDH-OLZOCXBDSA-N 317.389 2.978 0 40 DFAB O=c1[nH]nc(SCCC[C@H](O)c2ccc(F)cc2)n1C1CC1 12869145 BMGSSCVYDXFDTN-ZDUSSCGKSA-N 323.393 2.651 0 40 DFAB CSc1nnc(SCC(=O)NC2CCCCC2)s1 3552083 FRGRKEFLUUKGPP-UHFFFAOYSA-N 303.478 2.801 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCC(C)CC3)C(=O)[C@@H]2C)cc1 13097987 VURCPYLCIDVTIS-HNNXBMFYSA-N 315.417 2.842 0 40 DFAB Cc1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1 13007013 HKZXFXPZLYADSI-UHFFFAOYSA-N 310.353 2.609 0 40 DFAB O=C(NCC(F)(F)F)c1nn(-c2ccccc2)c2c1CCC2 13005771 CLCQNQOAIIOHHV-UHFFFAOYSA-N 309.291 2.653 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 69513294 KWASNMQTPDXMHH-ZDUSSCGKSA-N 308.447 2.825 0 40 DFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccoc3)c2)n1 49302662 ATDQSGDVFOWWBJ-UHFFFAOYSA-N 309.325 2.845 0 40 DFAB CC(C)NC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1 4050411 IKXPQMWEPKCIED-UHFFFAOYSA-N 318.295 2.613 0 40 DFAB CC(C)c1nnc(CSc2nnc(N(C)C)n2C(C)C)o1 69844657 XGOXYSKUAWOYOI-UHFFFAOYSA-N 310.427 2.724 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 5234949 XZPQSBDERLXLLI-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)NC(=O)NC1CCCC1 8707945 ZDNRKFYEWABXPS-GFCCVEGCSA-N 315.417 2.744 0 40 DFAB c1ccc([C@@H]2C[C@@H](c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 6757007 JAGBPBVAZCOIJK-KBPBESRZSA-N 321.340 2.548 0 40 DFAB CNc1ccccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 6974840 AQSFDOVBOSZSLB-KRWDZBQOSA-N 324.380 2.905 0 40 DFAB CN(C[C@@H](O)C1CC1)c1nc(-c2cccnc2)nc2ccccc12 80233330 BYMPXFRGNPOQII-QGZVFWFLSA-N 320.396 2.899 0 40 DFAB c1ccc(-c2nnc3ccc(NCc4ccncc4)nn23)cc1 71288646 GXAIKRQVTGMQAU-UHFFFAOYSA-N 302.341 2.798 0 40 DFAB COc1ccccc1NC(=O)CN(C)CCOc1ccccc1 7685775 ZSBBJQUJINFWQI-UHFFFAOYSA-N 314.385 2.645 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)N1CC=C(c2ccccc2)CC1 7985336 YFDKHXQQXIODEB-AWEZNQCLSA-N 324.380 2.714 0 40 DFAB O=C1O[C@H](C(=O)Nc2cccc3ncccc23)Cc2ccccc21 9313857 QKZDMLPARDBFIA-KRWDZBQOSA-N 318.332 2.955 0 40 DFAB CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 9496839 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HQHPXVWTLNTJHW-OCCSQVGLSA-N 323.462 2.971 0 40 DFAB CC(C)(C)[C@@H](O)CNC(=O)c1ccc(N2CCCCC2)cc1 79111464 BDCGIUDDDAOWEN-INIZCTEOSA-N 304.434 2.814 0 40 DFAB c1cc(CN2CCOCC2)cc(-c2noc(-c3ccco3)n2)c1 69702106 WLKNBBXZLVHBKA-UHFFFAOYSA-N 311.341 2.829 0 40 DFAB COC(=O)N(C)CC(=O)Nc1nc2c(C)cc(C)cc2s1 32915733 IPAHUZBBKOINTE-UHFFFAOYSA-N 307.375 2.550 0 40 DFAB Cn1cc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cn1 72406278 NJTPGEUZGPTKSY-UHFFFAOYSA-N 316.777 2.907 0 40 DFAB COc1ccccc1[C@H]1C[C@@]12C(=O)Nc1ccc(C(=O)O)cc12 217475343 MLCIKMGNIIQANI-ACJLOTCBSA-N 309.321 2.771 0 40 DFAB Cc1c(CNC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cnn1C 128179594 BNKXCLDACNCGKM-LBPRGKRZSA-N 318.343 2.649 0 40 DFAB CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCOc2ccccc21 75124774 QLJWJKDEKRVGGV-MAUKXSAKSA-N 305.418 2.856 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 39952315 LUWGZJCGXBUFFM-UHFFFAOYSA-N 316.401 2.873 0 40 DFAB Cc1csc(Cn2ccnc2[C@H](O)c2ccc(F)cc2)n1 189501519 NLSBUESLNNFFLD-CQSZACIVSA-N 303.362 2.917 0 40 DFAB CCOC(=O)[C@H]1CCCN(c2nc3ccccc3cc2CO)C1 134858179 VNHZPUINCXGKIN-AWEZNQCLSA-N 314.385 2.507 0 40 DFAB Cc1ccc(NC(=S)NCCN2CCCC2=O)cc1Cl 225811791 JTDXXGILAUCYIF-UHFFFAOYSA-N 311.838 2.557 0 40 DFAB O=C(Cn1ccc(=O)c2ccccc21)N1CCc2ccccc2C1 225720599 WMHKKBZBGBVKST-UHFFFAOYSA-N 318.376 2.586 0 40 DFAB CCc1cc(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)on1 83233059 LTYSXZDKMHLTKU-HZPDHXFCSA-N 315.373 2.566 0 40 DFAB N[C@@H]1CCCCN(c2nc(-c3ccccc3)ccc2C(=O)O)C1 82108230 PYMNOYVOEMPBQG-CQSZACIVSA-N 311.385 2.764 0 40 DFAB CC[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1nc(C)n[nH]1 81845210 NKHKNGUUDHZQDW-GFCCVEGCSA-N 311.345 2.649 0 40 DFAB Cc1cnc(C)c(N2CCCN(C(=O)c3cccs3)CC2)n1 195563825 CQKDNIAFYKMROI-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CC(C)NCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 193493103 SASSFSVFUNHTSP-LBPRGKRZSA-N 304.360 2.537 0 40 DFAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC 225874728 GCLDPVUHBCNOKJ-KRWDZBQOSA-N 305.418 2.876 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@H](Oc2cccnn2)C1 225411819 YUDHXDKOMCGKOR-ZDUSSCGKSA-N 309.325 2.516 0 40 DFAB CCN(c1ccncc1)S(=O)(=O)c1cc(C)ccc1OC 195343685 DCEAORLXUSOTFU-UHFFFAOYSA-N 306.387 2.614 0 40 DFAB O=C([C@H]1COc2ccccc21)N1CCOC[C@@H]1c1ccccc1 96433023 UIRHHTBVDBBEGU-DLBZAZTESA-N 309.365 2.763 0 40 DFAB CC(C)(C)c1cc(NC(=O)NC[C@@](C)(O)c2ccco2)no1 96434596 XBGVAJBYNZYKKZ-OAHLLOKOSA-N 307.350 2.594 0 40 DFAB C[C@@H](Sc1cccs1)C(=O)NC(=O)NCC(F)(F)F 96409103 WUQIEQSGGMWYGK-ZCFIWIBFSA-N 312.338 2.617 0 40 DFAB CCc1cnc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)nc1 96161097 RRSGOYPFYPOVNR-UHFFFAOYSA-N 322.412 2.554 0 40 DFAB C1CCC(CO[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)C1 247938881 HRZACAAJDADVCL-KRWDZBQOSA-N 309.450 2.606 0 40 DFAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2C(=O)OC[C@@H]2C)n1 257322123 WERJAVDBKVWRBU-LBPRGKRZSA-N 318.421 2.718 0 40 DFAB C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@@H]1C[C@@H]2O 257345824 JVYOPHXXWSMLAS-FAWVGBRISA-N 306.446 2.930 0 40 DFAB CN(C(=O)CCc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 257235544 GYGBUQDRRVEKSX-KRWDZBQOSA-N 324.428 2.537 0 40 DFAB Cc1c[nH]c(-c2cc([C@H]3CCCN3c3ccncn3)nc(C)n2)n1 257232361 GKOGJPNIUVCEEX-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB Cc1ccn(CCC(=O)N2CCC[C@H]2CCc2ccncc2)n1 257340336 ZFOSEGVQIVHDFC-KRWDZBQOSA-N 312.417 2.600 0 40 DFAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2oc3cc(C)ccc3c2C)[C@H]1O 585269176 STRZNJSTOPIGNZ-IIAWOOMASA-N 317.385 2.660 0 40 DFAB CO[C@H]1CCN(C(=O)c2ccno2)C[C@H]1Cc1ccc(F)cc1 585275007 TTYOCWXEXGJZJO-HIFRSBDPSA-N 318.348 2.534 0 40 DFAB CCN1CCC(CNC(=O)CCc2ccc(OC)c(F)c2)CC1 57000637 SNWVHMJOOVUCLF-UHFFFAOYSA-N 322.424 2.615 0 40 DFAB O=c1ccc(Br)cn1Cc1cc(-c2ccco2)on1 15572770 XDIZEJVNHBBTML-UHFFFAOYSA-N 321.130 2.907 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)no1 58223071 OPFFFWKNCNIZBB-NSHDSACASA-N 302.378 2.802 0 40 DFAB Cc1ccc(-c2nnc([C@H](C)N3CCn4c(C)nnc4C3)o2)cc1 69531778 HSQIAINCWMPQKL-LBPRGKRZSA-N 324.388 2.522 0 40 DFAB CCN1CCO[C@@H](CNCc2cnc(-c3ccccc3)s2)C1 69952287 UQOROYIKWASPET-HNNXBMFYSA-N 317.458 2.620 0 40 DFAB O=C(Nc1ccc(Cl)nn1)c1cccc(NC(=O)C2CC2)c1 72281610 BPOMQMYZCBLNLA-UHFFFAOYSA-N 316.748 2.731 0 40 DFAB CN(Cc1ccc(Cl)nc1)[C@@H](C(N)=O)c1cccc(F)c1 72599600 JDZXCZHSJWGIMG-CQSZACIVSA-N 307.756 2.533 0 40 DFAB O=C(N[C@@H](CO)CC1CCCC1)[C@@H]1CSc2ccccc21 95456411 CEVZTNJDEDMCTG-UKRRQHHQSA-N 305.443 2.933 0 40 DFAB Cc1cc(CNC(=O)C2CCCCC2)nc(N2CCCCC2)n1 96121091 WIDHKMBXGYVGOD-UHFFFAOYSA-N 316.449 2.972 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cncs3)C[C@@H]21 97113966 LQMNTMYFRPAUIR-KWCYVHTRSA-N 323.462 2.878 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H](C)Cc1cccs1 81573071 VZGWELNYOFUMBS-JTQLQIEISA-N 306.435 2.590 0 40 DFAB C[C@H](O)[C@H]1CCCCN1C(=O)c1ccccc1Br 97232659 VHWABUHMEYETLD-GXFFZTMASA-N 312.207 2.825 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H]2Cc3ccccc3NC(=O)[C@H]2C1 1908512023 WFQWQJHGRKYNIJ-OLZOCXBDSA-N 302.374 2.664 0 40 DFAB O[C@@H](c1ccccc1I)C(F)(F)F 114220660 AUJQQTCDXBVLTH-ZETCQYMHSA-N 302.033 2.887 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C 5000399 KJORWHRAJXDEOP-UHFFFAOYSA-N 309.387 2.890 0 40 DFAB COC(=O)CN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 205765183 DIYIETBAVVXXGK-BLTLMDCKSA-N 317.366 2.842 0 40 DFAB CCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 4888506 GWMZGGINVQVYMQ-UHFFFAOYSA-N 317.433 2.651 0 40 DFAB CCOc1ccc(C(=O)N[C@H](c2nccn2C)C(C)C)cc1 40139177 ILXOKXDGGSIOLH-HNNXBMFYSA-N 301.390 2.946 0 40 DFAB O=C(NCc1cncc(C2CC2)c1)c1cc(-c2ccco2)[nH]n1 575620450 SSHCXRDHBNDMSR-UHFFFAOYSA-N 308.341 2.872 0 40 DFAB Cc1ccnn1[C@@H](C)C(=O)Nc1cnn(CCc2ccccc2)c1 72247126 IXMONKXZJJVDRR-HNNXBMFYSA-N 323.400 2.830 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3C)CC2=O)cc1 20367533 XXGKKSUPOONMBO-HUUCEWRRSA-N 300.402 2.749 0 40 DFAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(N)c2)C1 100019291 SBJAAFMZXQXSCV-XJKSGUPXSA-N 308.447 2.858 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cn1 40118886 VQYBCKYPFCEHMQ-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB COc1cc(CN[C@H]2CCCc3c2cnn3C)cc(OC)c1 30908707 SFMPBSZHYVRFEG-INIZCTEOSA-N 301.390 2.605 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)Cc2ccc(C)nc2)c1 40555115 YLFCZMCUKLVHOE-ZDUSSCGKSA-N 311.385 2.768 0 40 DFAB Cc1sc(=O)n(CC(=O)NCC(C)C)c1-c1ccc(F)cc1 40529662 BITRUOGSELZPER-UHFFFAOYSA-N 322.405 2.797 0 40 DFAB C[C@@H]1Cc2ccccc2N1CCNC(=O)Cc1ccccc1O 101659162 ZQQQOBHMNIGSOS-CQSZACIVSA-N 310.397 2.502 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(F)cc1Cl 32764971 KJSFYONOIPJLSE-UHFFFAOYSA-N 320.751 2.850 0 40 DFAB C[C@@H]1C[C@H](OC(=O)c2cccnc2Oc2ccccc2)C(=O)O1 32736607 HSMDOMITTLCQEM-RISCZKNCSA-N 313.309 2.735 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)c1sc2ccccc2c1C 32778000 CSFZPXAXRHUSHV-LLVKDONJSA-N 304.415 2.854 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6742178 IMDFZIJZZVRMEW-JZYAIQKZSA-N 301.386 2.919 0 40 DFAB Cn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CC1 7235240 XKLHFOOVPOMROX-UHFFFAOYSA-N 320.462 2.791 0 40 DFAB C[C@H](O)c1ccc(-c2ccc(CNn3cn[nH]c3=S)o2)cc1 8534144 YWAQBHURSBRLTM-JTQLQIEISA-N 316.386 2.998 0 40 DFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C 21921739 WJTSGYVNDFFHSX-UHFFFAOYSA-N 318.348 2.506 0 40 DFAB Cc1cc(N2CCOCC2)ccc1NC(=O)/C=C/c1cccnc1 33187130 FQVUKJWJDJHLGV-QPJJXVBHSA-N 323.396 2.879 0 40 DFAB O[C@@H](COc1ccc(Cl)cc1)Cn1nnc2ccccc21 551688 YWLYZXPDWXPJRY-GFCCVEGCSA-N 303.749 2.525 0 40 DFAB CC1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 22357262 HSLPLEOIEUNMME-CYBMUJFWSA-N 312.421 2.990 0 40 DFAB Cc1nnc(COc2ccccc2I)o1 42255951 QODKQHWFGLXXFI-UHFFFAOYSA-N 316.098 2.562 0 40 DFAB Cc1cccnc1NC(=O)NCCc1ccc2c(c1)OCCO2 43081002 OEBGTBPZDNYVEF-UHFFFAOYSA-N 313.357 2.525 0 40 DFAB CCc1cccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)c1 24842305 BMPUGKZPEAKTCS-LBPRGKRZSA-N 315.398 2.697 0 40 DFAB O[C@@H](c1ccc(I)cc1)C(F)(F)F 112928240 KDKUKDSHXPQFMG-ZETCQYMHSA-N 302.033 2.887 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)n1 106784771 BSOWFQLYDMQOEF-UKRRQHHQSA-N 315.421 2.986 0 40 DFAB COc1ccc(NC(=O)Cn2ccnn2)cc1Cc1ccccc1 83953058 YBSNGTINEDWOOC-UHFFFAOYSA-N 322.368 2.516 0 40 DFAB Clc1ccccc1Cn1nnc2c(N3CCCC3)ncnc21 1424366 WIGRRKPGHRGTMM-UHFFFAOYSA-N 314.780 2.523 0 40 DFAB C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)C[C@@H](c2ccccc2)O1 106831214 WNCKXMYEMMSICF-JLSDUUJJSA-N 310.397 2.675 0 40 DFAB CCS[C@@H]1CCCCN([C@H](C)c2nc(-c3nnc[nH]3)no2)C1 107148461 OQPGSAVNMJLKMP-GHMZBOCLSA-N 322.438 2.523 0 40 DFAB CN(C)C(=O)NC1CC2(CCN(C[C@@H]3CC=CCC3)CC2)C1 108533185 OBFNYIZKRWYQDS-OAHLLOKOSA-N 305.466 2.859 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC(c2cccc(F)c2)=NO1 107341803 BPTYDCYBJWIUCL-KBAYOESNSA-N 324.355 2.991 0 40 DFAB CCC(CC)(CNC(=O)c1ccc2ccccc2n1)C(=O)O 179191422 UQIDDDRDXNSRBC-UHFFFAOYSA-N 300.358 2.856 0 40 DFAB Cc1cc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)no1 44783589 RMHLKQFSMFPFNE-OAHLLOKOSA-N 324.377 2.789 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCc3ccccc32)C1 58277912 GVKBJNZPXYNHLR-XJKSGUPXSA-N 308.447 2.582 0 40 DFAB O=C(Cc1ccccc1F)Nc1ccn(Cc2ccccn2)n1 58280657 XABWBXRFFOWWMK-UHFFFAOYSA-N 310.332 2.647 0 40 DFAB NC(=O)c1ccc(CN(C(=O)c2ccc(F)cc2)C2CC2)cc1 29263356 KFQKEZCFAXLAJI-UHFFFAOYSA-N 312.344 2.729 0 40 DFAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1ccccn1 58406105 UOEFPBCGJLFKFY-CYBMUJFWSA-N 301.438 2.855 0 40 DFAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)cc(C)c2)C1 3221517 WHTJFKYIEDZAMF-OAHLLOKOSA-N 318.417 2.517 0 40 DFAB C[C@H]1C[C@H](C)CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 3285511 KVIOTUYIXFUHQL-QWRGUYRKSA-N 317.458 2.951 0 40 DFAB CCc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1OC 16780390 SJCFYVCFLRJINL-CHWSQXEVSA-N 311.447 2.924 0 40 DFAB NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3301728 SZHIJFVAWFHPAJ-UHFFFAOYSA-N 319.744 2.561 0 40 DFAB COc1ccc(CCNC(=O)CCc2ccco2)cc1OC 8276711 WWWCMFXEFJHVPO-UHFFFAOYSA-N 303.358 2.588 0 40 DFAB CC(C)c1cc(C(=O)N2CCN(C3CCCCC3)CC2)on1 91974043 KBRLNQRZTAUHGZ-UHFFFAOYSA-N 305.422 2.889 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)O)no1 12975881 RWMOHIPSIHVEOQ-SECBINFHSA-N 306.343 2.801 0 40 DFAB C[C@H]1C[C@@H](OC(=O)c2ccc(-c3ccc(F)cc3)o2)C(=O)O1 8393342 QOKXXKWXRXLCBN-LKFCYVNXSA-N 304.273 2.947 0 40 DFAB CCc1nc(CCNC(=O)c2ccc(OC)cc2)sc1C 69457278 BJAMGVAASOVXEW-UHFFFAOYSA-N 304.415 2.995 0 40 DFAB CC(C)N(C(=O)COC(=O)c1cc(Cl)ccc1N)C(C)C 5044770 CLNAUQWQXUVWOP-UHFFFAOYSA-N 312.797 2.724 0 40 DFAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1COc2ccccc2C1 39998434 CLKQNLMZVUHBHM-CYBMUJFWSA-N 313.401 2.907 0 40 DFAB Cc1oc(C)c(C(=O)N2CCO[C@H](C)C2)c1Br 65516113 FTMRGVBMJSTJBK-SSDOTTSWSA-N 302.168 2.520 0 40 DFAB CCn1nnn(CN2CC=C(c3ccccc3)CC2)c1=S 14135306 AFEQFVCZSGEJEB-UHFFFAOYSA-N 301.419 2.576 0 40 DFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)C1CCCC1)C2=O 14163785 QYQYZFFNZGQXMX-SCLBCKFNSA-N 321.465 2.955 0 40 DFAB CCc1ccc(C(=O)NCCc2ccccc2C(=O)O)s1 70551011 NVJMGVGSGXPVTF-UHFFFAOYSA-N 303.383 2.981 0 40 DFAB C[C@H](NCc1c(Cl)nc2ccccn12)[C@@H](C)n1cccn1 69927890 FOFKWLCMWRZGLA-NWDGAFQWSA-N 303.797 2.924 0 40 DFAB O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 6750554 GGBQRFLREPFGBG-QGZVFWFLSA-N 321.380 2.538 0 40 DFAB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1-c1ccccc1 6754895 SKAJRABZEUPOKS-UHFFFAOYSA-N 306.300 2.711 0 40 DFAB CCc1nonc1NC(=O)COc1cc(C)c(Cl)c(C)c1 6743404 HUNJFBLAOPTZNN-UHFFFAOYSA-N 309.753 2.920 0 40 DFAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccn1C 8773455 ZNVQFHAPTGXART-NSHDSACASA-N 318.398 2.931 0 40 DFAB COC(=O)c1cnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 8775805 ORXLZTRRYKFOGN-VMPITWQZSA-N 318.354 2.590 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)NCC(=O)OCc1ccccc1 15516425 JZOOQYGFRQOPSN-UHFFFAOYSA-N 322.364 2.950 0 40 DFAB CO[C@H](C(=O)N[C@H](c1nc(C)no1)C(C)C)c1ccccc1 96003837 RAGUDBOGWAREOK-KBPBESRZSA-N 303.362 2.579 0 40 DFAB C[C@@H](C(=O)N1CCc2sccc2C1)N(C)Cc1cscn1 71828260 MPQUSGIZRKBGNK-NSHDSACASA-N 321.471 2.610 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cn1 71870348 PMGAGLMPDTYLRA-INIZCTEOSA-N 312.417 2.647 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)NC2CCCCC2)cc1 83843871 WWCMLCQYVRSNRL-INIZCTEOSA-N 306.406 2.703 0 40 DFAB OC1(CNc2ccnc(-c3ccccc3)n2)CCSCC1 71915161 VVYLZNIBIUAKGG-UHFFFAOYSA-N 301.415 2.814 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)CO[C@@H]1CCCC[C@@H]1C 71903405 IMHXHAPNCZEKHA-XJKSGUPXSA-N 318.417 2.509 0 40 DFAB CSc1nnc(CN(C)[C@H](CO)c2cccc(F)c2)s1 75936292 UXYMOMNCIQRQHK-LLVKDONJSA-N 313.423 2.565 0 40 DFAB Cc1cc(CS(=O)(=O)N(C)[C@@H](C)c2ccc(F)cc2)on1 72275129 RFVDWPSUKZCFDV-NSHDSACASA-N 312.366 2.645 0 40 DFAB Cc1cccc(OCC(=O)N[C@@H](C)CCc2cccn2C)c1 72296940 OUKRWZBBDXEPQX-HNNXBMFYSA-N 300.402 2.850 0 40 DFAB Cc1ccc2c(n1)OCCN2C(=O)Cc1ccc(O)cc1Cl 97079828 NGQAIMKYWAAVSE-UHFFFAOYSA-N 318.760 2.717 0 40 DFAB Cc1ccsc1C(=O)N[C@@H](C(=O)O)c1ccc(F)c(F)c1 97036631 HIAXNIWOQXEASM-LLVKDONJSA-N 311.309 2.890 0 40 DFAB CCS[C@H]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2)C1 76067360 PJQGQGZNUPGTND-GJZGRUSLSA-N 317.462 2.768 0 40 DFAB CCc1ccc(C(=O)c2ccc(NC(=O)N[C@@H](C)CO)cc2)o1 84335540 HCQLLQHTNKWGFB-NSHDSACASA-N 316.357 2.575 0 40 DFAB C[C@H](COc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2C 95420705 NFOAUFDDXQJMSI-MLGOLLRUSA-N 303.381 2.994 0 40 DFAB Cc1cccc(OC[C@H](O)CN[C@H](C)c2cncc(F)c2)c1 95420808 ULMQETKSWYHRPR-CZUORRHYSA-N 304.365 2.620 0 40 DFAB O=C(N[C@H](CCO)c1cccs1)[C@H]1OCCc2ccccc21 95445764 UFOSMIQOJOUOPF-ZBFHGGJFSA-N 317.410 2.602 0 40 DFAB Cc1ccc2nc(C)c(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)cc2c1 78896565 ORJJCHUWLPVYMT-UGSOOPFHSA-N 311.429 2.874 0 40 DFAB CC(C)C[C@@](C)(NC(=O)c1ccc2[nH]c(=S)oc2c1)C(N)=O 73590149 HHLORWOPSPSFPI-OAHLLOKOSA-N 321.402 2.510 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@H]1N(C)C 78894972 QLHVQSLJFNYWTP-MLGOLLRUSA-N 318.465 2.538 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 95975638 UGOZTKWIODIFBQ-FHLIZLRMSA-N 323.396 2.544 0 40 DFAB Cc1nc(C2CCCC2)sc1C(=O)N1CCC(CN)CC1 95971488 IPNXFSMVDNSXLL-UHFFFAOYSA-N 307.463 2.920 0 40 DFAB CN(C)[C@@H](C(=O)NCCSc1ccc(Cl)cc1)C1CC1 89312160 XGQCJOSUAGEXJJ-CQSZACIVSA-N 312.866 2.889 0 40 DFAB COc1ccccc1C1(CNC(=O)NCc2ccn(C)c2)CC1 75092524 QIQXYQXWIOCMEB-UHFFFAOYSA-N 313.401 2.565 0 40 DFAB C[C@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@@H]1O 75093530 YFGDYUIHVLSYDL-WMLDXEAASA-N 311.372 2.955 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)s1 75103811 BTTHJAHUCIGRRI-UONOGXRCSA-N 323.462 2.510 0 40 DFAB Cc1ccc(SCC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 89639227 UWJRRUFCPJKANA-AEFFLSMTSA-N 313.422 2.862 0 40 DFAB Cn1cc(CCC(=O)NCCc2ccccn2)c2ccccc21 79476404 VZWOSFHBCATQBJ-UHFFFAOYSA-N 307.397 2.865 0 40 DFAB CC(=O)N1CCN(c2ccc(SC(C)(C)C)c(C)n2)CC1 72224790 PEHIGKCGMMBSIC-UHFFFAOYSA-N 307.463 2.949 0 40 DFAB Cc1occc1C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 186584743 NFCDISMFAQZUGV-UHFFFAOYSA-N 318.304 2.800 0 40 DFAB CN(C)Cc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1 39998450 VCUFIPLZEHKLSS-SFHVURJKSA-N 324.424 2.616 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C1 72239728 XEPMPSHBZXRECY-GUTXKFCHSA-N 320.458 2.744 0 40 DFAB CCn1cc(-c2nnc(SCC(=O)c3ccccc3)o2)cn1 32604088 BEQFYLXGFWHZEI-UHFFFAOYSA-N 314.370 2.928 0 40 DFAB Cc1nc(CSCCN2C(=O)c3ccccc3C2=O)cs1 78555511 FWRREXOHTUKJKU-UHFFFAOYSA-N 318.423 2.981 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241950 FWXLWFXOBOVSNE-GDBMZVCRSA-N 306.381 2.507 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 72242026 KZDDXKUORHDWJC-NVXWUHKLSA-N 318.417 2.521 0 40 DFAB CN1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 44595773 UMZDLTGJYSRLQH-UHFFFAOYSA-N 301.217 2.700 0 40 DFAB C[C@@H](CNCc1cccnc1N1CCN(C)CC1)c1ccccc1 194300399 KTWRFSTVIAVJGX-KRWDZBQOSA-N 324.472 2.727 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H]2CO)cc1Cl 190246058 BIIBEUUGJZDGLU-LKFCYVNXSA-N 310.781 2.777 0 40 DFAB C[C@@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1csnn1 570908060 RLNMMDZRJBQMOI-LLVKDONJSA-N 319.434 2.507 0 40 DFAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CC3)CC1)O2 225817729 RORNRJFIYDJJDR-UHFFFAOYSA-N 313.397 2.985 0 40 DFAB CC(=O)N1CCc2cc(C(=O)O[C@@H](C)c3nccs3)ccc21 80334781 INLNJGKBLFZSIY-JTQLQIEISA-N 316.382 2.970 0 40 DFAB Cc1ccsc1CNC(=O)N1CCC(c2cc[nH]n2)CC1 331437618 URMHDDWNHJYPFC-UHFFFAOYSA-N 304.419 2.869 0 40 DFAB Cc1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)no1 96456455 OIUZKYNGVOYFST-MRXNPFEDSA-N 314.385 2.847 0 40 DFAB COC[C@H]1CN(Cc2ccoc2)Cc2c1cnn2CC1CC1 96197914 USCZLYQMDWINKF-OAHLLOKOSA-N 301.390 2.632 0 40 DFAB Cc1cccc2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)ncnc12 96476256 FIJZIXPAWSFNMF-OAHLLOKOSA-N 324.428 2.681 0 40 DFAB Cn1ccnc1C[C@H](NC(=O)Nc1cccnc1)c1ccccc1 96434109 BXBIQQRIBWGPEX-INIZCTEOSA-N 321.384 2.921 0 40 DFAB O=C(O)c1cn(-c2cc(-c3ccccc3)nc(C3CC3)n2)cn1 96517367 MCRMSGAIHGAVTE-UHFFFAOYSA-N 306.325 2.905 0 40 DFAB CNc1nc(Cl)c(Br)nc1Br 98177604 GTFHWIJFJZEMSM-UHFFFAOYSA-N 301.369 2.697 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@H]1C[C@H]1c1ccccc1 96346630 MCOFYCMKEYZMBP-ATZCPNFKSA-N 308.592 2.595 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 96432449 SSXFEHZQFYVOLK-UKRRQHHQSA-N 304.459 2.676 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@H](Cc2ccn[nH]2)C1 257256930 KNKVMJYAFRHKFR-CQSZACIVSA-N 315.392 2.963 0 40 DFAB O=C(O)c1nn(-c2ccccc2)nc1N1CCc2ccccc2C1 256046454 GAHVYKZZUKRSNY-UHFFFAOYSA-N 320.352 2.528 0 40 DFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](Cc2ccccn2)C1 257343868 ZUSFZNADUNFOMB-AWEZNQCLSA-N 322.412 2.844 0 40 DFAB Cc1noc(C)c1C(=O)N1Cc2nccn2C[C@H]1c1ccccc1 257296183 RBPOSEXKSDXEMF-HNNXBMFYSA-N 322.368 2.885 0 40 DFAB CCn1nc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)cc1C 257269470 MQBMTDBALCTCHT-ZDUSSCGKSA-N 318.446 2.996 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@H]2c2ccccc2)cc1 252515605 MDTGOOGNARBNMV-BRWVUGGUSA-N 302.395 2.543 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1 257244759 IMQUMNQFLPOELC-LBPRGKRZSA-N 301.415 2.898 0 40 DFAB Cc1csc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)c1 575606374 OFOWHYVEDKCEED-NSHDSACASA-N 323.805 2.793 0 40 DFAB Nc1nc(Cl)cc(NCc2ccn(-c3ccccc3)n2)n1 44977130 KRXGFNQKUFLKPG-UHFFFAOYSA-N 300.753 2.510 0 40 DFAB CN1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1=O 46800177 AWVMXTWUMCMSRH-HIFRSBDPSA-N 320.820 2.872 0 40 DFAB COc1cc2c(cc1OC)CCN(c1cc(C)nc(C)n1)CC2 57150288 XKYOAGKMKRVURN-UHFFFAOYSA-N 313.401 2.716 0 40 DFAB O=C(Nc1cccc2c1ccn2C(F)F)c1ccc(O)nn1 1557448511 JBSBERZXPIXVND-UHFFFAOYSA-N 304.256 2.784 0 40 DFAB COc1cccc2cc(C(=O)NCC[C@@H](O)C(C)(C)C)oc12 75157759 MHXTYDXAHUILJI-CQSZACIVSA-N 305.374 2.968 0 40 DFAB biogenic CC(C)c1cc(NC[C@](C)(O)c2cnn(C)c2)nc(C(C)C)n1 90094883 ZTHDUCIWJZMLIY-KRWDZBQOSA-N 317.437 2.777 0 40 DFAB CCOc1ccc(C(=O)N2CCC(c3cc(C)n[nH]3)CC2)cn1 95464790 IQWIUCONQBOKNI-UHFFFAOYSA-N 314.389 2.532 0 40 DFAB C[C@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccc(F)cc1Cl 95411331 YWWTYLSHHWDXLM-XPTSAGLGSA-N 314.788 2.952 0 40 DFAB C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)CCCCCC2 19457930 WGDULZZZQXUEIC-LLVKDONJSA-N 319.434 2.668 0 40 DFAB Cc1cc(C[C@H](C)NC(=O)c2scnc2C(C)(C)C)n[nH]1 161699616 FOKGPUQWFQMTPH-VIFPVBQESA-N 306.435 2.833 0 40 DFAB O=C(CCSc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 253403187 PMHBJSVEKPXQPK-KBMXLJTQSA-N 321.442 2.622 0 40 DFAB CNC(=O)[C@@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 25862303 GGVBGCNUMZWQMV-SECBINFHSA-N 322.748 2.595 0 40 DFAB O=C(NCC1(N2CCOCC2)CCC1)c1cccc2ccccc12 1775974049 ATRGJKSJQFGQOP-UHFFFAOYSA-N 324.424 2.825 0 40 DFAB CN1C(=O)N(c2ccccc2)[C@H](Nc2nncs2)C1(C)C 1272803 YOYACJRHNNFLOG-NSHDSACASA-N 303.391 2.627 0 40 DFAB C[C@@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1 33526 XLXYDGKKCODSDR-LLVKDONJSA-N 310.361 2.786 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc(C(F)(F)F)n1 40159830 JNPGKEAXEFUOIG-JTQLQIEISA-N 309.291 2.880 0 40 DFAB Cc1nn(C)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12 40500960 JZQLXTXCERNVFA-UHFFFAOYSA-N 313.386 2.863 0 40 DFAB CC(C)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40549655 CLEVSQBHHUOODG-UHFFFAOYSA-N 305.328 2.777 0 40 DFAB c1nc(N2CCOCC2)ncc1CNC1CCCCCCC1 69645106 QHFOPTQDDCFTQR-UHFFFAOYSA-N 304.438 2.516 0 40 DFAB CCN(CC)C(=O)CCc1nc(-c2cccc(OC)c2)no1 2423099 BNGUWNYZGKOHAC-UHFFFAOYSA-N 303.362 2.546 0 40 DFAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(C)n2)c1 361185 UABNCAOEGHHIPJ-UHFFFAOYSA-N 315.398 2.916 0 40 DFAB Cc1cn2nc(NCc3cnn(Cc4ccccc4)c3)sc2n1 52243973 YZVPSKGTCNYFLB-UHFFFAOYSA-N 324.413 2.956 0 40 DFAB COc1ccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1F 2619875 OBYUMJLDRVPFKT-GTNSWQLSSA-N 320.364 2.835 0 40 DFAB COc1cc(CNn2cnnc2)ccc1OCc1ccccc1C 7601161 JLAGUNCQLMANDK-UHFFFAOYSA-N 324.384 2.918 0 40 DFAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2[nH]1 32738295 UVNGQIKRUPGOQG-MEDUHNTESA-N 323.352 2.580 0 40 DFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC3)cc2C1=O 32721251 BYLXZTVEIFVQAM-UHFFFAOYSA-N 320.348 2.642 0 40 DFAB CN(C(=O)COC(=O)c1cc(F)ccc1F)c1ccccc1 57472220 YKLSHHJGEFLSAW-UHFFFAOYSA-N 305.280 2.785 0 40 DFAB O=C(O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 41138633 ZMXLCHAQQSMCFE-UHFFFAOYSA-N 309.365 2.902 0 40 DFAB COCc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 8726445 PYTFOTQFQFENLR-UHFFFAOYSA-N 324.380 2.978 0 40 DFAB CC(C)CCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 9995101 FVSJVMBMPTYTDI-UHFFFAOYSA-N 302.296 2.806 0 40 DFAB O=C(COCc1nc2ccccc2s1)Nc1ncccc1O 22264292 WLPYYIZWPTUMIO-UHFFFAOYSA-N 315.354 2.552 0 40 DFAB CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 793330 MOKCCDQDUUEWRE-AWEZNQCLSA-N 320.414 2.988 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc[n+]1[O-] 47215817 JTQKLGBRLRGPGB-ZDUSSCGKSA-N 300.358 2.665 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)Cn1ccc(C(F)(F)F)n1 47742198 WIRCMGNFVIAGRQ-SNVBAGLBSA-N 315.295 2.632 0 40 DFAB FC(F)n1ccnc1CSc1nnc(NC2CC2)s1 12531721 UQMOAGKRJUYUNH-UHFFFAOYSA-N 303.363 2.996 0 40 DFAB COC(=O)C[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl 89894569 DLHLWPOLTSJUTN-SECBINFHSA-N 301.745 2.637 0 40 DFAB CCOC(=O)c1nccnc1C(=O)Nc1cccc(Cl)c1 22073380 HUCWUEKKNHYSJQ-UHFFFAOYSA-N 305.721 2.559 0 40 DFAB CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 89960150 ALDYYZXSZYUCSM-KGLIPLIRSA-N 312.417 2.709 0 40 DFAB CC(C)CCN1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 106750034 OUSPIHFYOWQCLJ-JYJNAYRXSA-N 309.523 2.713 0 40 DFAB Cc1ccc(Nc2nnc(S[C@H]3CCOC3=O)s2)cc1 3243008 RCNUPZGEQGVAFY-JTQLQIEISA-N 307.400 2.998 0 40 DFAB CCOC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 44069978 CMXUSZKAQVDXTC-NSHDSACASA-N 309.410 2.703 0 40 DFAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCCC1 59446810 LVAACLVLLAWHNK-UHFFFAOYSA-N 301.173 2.944 0 40 DFAB CCn1ncc(CNC(=O)c2ccc(OC(C)C)cc2)c1C 28575126 MIPNLRHCXFUQKT-UHFFFAOYSA-N 301.390 2.929 0 40 DFAB COc1cc(N[C@H](C)c2nc(C)no2)ccc1N1CCCC1=O 26985707 WEFVKOREZKICLD-SNVBAGLBSA-N 316.361 2.687 0 40 DFAB COc1ncccc1NC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 58080389 AFSXPNWBAFWUGJ-DYVFJYSZSA-N 320.437 2.722 0 40 DFAB C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 58152886 RBMDBDMJCJZEIR-CQSZACIVSA-N 318.417 2.701 0 40 DFAB Cc1nnc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)o1 58216231 UZELSSPDOYRBSQ-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB CCc1nn2c(=O)cc(CN(C3CC3)[C@H](C)C(C)C)nc2s1 44950138 MVIMMZRPYMYHHA-LLVKDONJSA-N 320.462 2.722 0 40 DFAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccncc1 58355872 CSZURQGSEINQHS-UHFFFAOYSA-N 317.820 2.939 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 8271637 OCZOLHFBDKRZCS-UHFFFAOYSA-N 315.394 2.831 0 40 DFAB COC[C@@H](C)N(C)C[C@H](O)c1ccc(OC(F)(F)F)cc1 58433556 OWCMBRYDWPRFDR-MFKMUULPSA-N 307.312 2.585 0 40 DFAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2c(cc1O)OCO2 48230907 PMIQUDNNTKQMEL-UHFFFAOYSA-N 323.308 2.763 0 40 DFAB CCOCCO[C@H](C)C(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 69322899 JZJPTWVAZDTPCR-KYOSRNDESA-N 311.809 2.754 0 40 DFAB COc1ccc2ccc(OCC(=O)NCC(F)(F)F)cc2c1 3409019 NVTAZDLXVLYNKM-UHFFFAOYSA-N 313.275 2.906 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1F 3505519 HBEWQUZWRBCLTN-JTQLQIEISA-N 316.361 2.988 0 40 DFAB C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1nnc2n1CCCCC2 69484446 YIDNXHBWWMLOIC-UONOGXRCSA-N 319.453 2.725 0 40 DFAB Cc1noc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 64317979 JBSXUNQFMMUIOK-UHFFFAOYSA-N 324.384 2.711 0 40 DFAB CCc1[nH]c(C(=O)N[C@H](C)c2ccccn2)c(C)c1C(=O)OC 39494683 ZUTSMUNPFVNENK-LLVKDONJSA-N 315.373 2.558 0 40 DFAB O=C1[C@H]2ON=C(/C=C/c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 13734477 XNLMCXIBUGXMOR-YFXCHKOLSA-N 318.332 2.644 0 40 DFAB Cc1noc(C)c1C(=O)NCC1(c2ccccc2)CCOCC1 65465190 SLLCFUQMNQROEW-UHFFFAOYSA-N 314.385 2.770 0 40 DFAB C[C@H]1CCCN(Cc2nccn2C)[C@H]1CNC(=O)OC(C)(C)C 110659036 DAVYTKKMYOFHQI-KBPBESRZSA-N 322.453 2.545 0 40 DFAB C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@@H]4CCOC4=O)cc3c2C1 14139560 GLYHLHPMYGKKMH-QLJPJBMISA-N 313.353 2.765 0 40 DFAB CC(=O)N1CCCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 65608862 KCUHVXBZEDXPBH-GDBMZVCRSA-N 308.466 2.920 0 40 DFAB CCOc1cccc([C@H](C)NC(=O)CCNC(=O)C(C)(C)C)c1 65623145 ZFIQRAQDLGLJGY-ZDUSSCGKSA-N 320.433 2.815 0 40 DFAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1 6788531 XYBFUWKBQOPFHB-SGMGOOAPSA-N 312.291 2.568 0 40 DFAB C[C@H](CN1CCCC1=O)Nc1nc(C(F)F)nc2ccccc12 66454564 JPGPHHLQZSDOEW-SNVBAGLBSA-N 320.343 2.990 0 40 DFAB NC(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 4815715 GEPADWPSZFXPHP-UHFFFAOYSA-N 300.383 2.906 0 40 DFAB O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCCCCC1 5814205 RQRHFOPEAPYZFY-KRWDZBQOSA-N 301.434 2.696 0 40 DFAB O=C1CCCN1c1ccc(OS(=O)(=O)c2cccs2)cc1 15361117 STKXGHAXKUBOKZ-UHFFFAOYSA-N 323.395 2.643 0 40 DFAB CN(C)C(=O)c1cccc(NC(=O)CSc2ccncc2)c1 25541632 JLXLXMMLQUVXQS-UHFFFAOYSA-N 315.398 2.514 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 111934644 KAKLRUSPUOWREX-BHTHQVBYSA-N 303.745 2.563 0 40 DFAB Cc1ccc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)s1 7391422 XRTHDJGHURDITN-AWEZNQCLSA-N 318.350 2.622 0 40 DFAB COC(=O)c1cnc2c(C)c(-c3ccc(Cl)cc3)nn2c1N 71279083 QLTBMIIPYTYUOL-UHFFFAOYSA-N 316.748 2.727 0 40 DFAB COc1ccccc1OCC(=O)Nc1ccc2nsnc2c1 15841201 KLZCLWYSCCHCOO-UHFFFAOYSA-N 315.354 2.717 0 40 DFAB CC(C)Cn1nc(C(=O)OC[C@@H]2C[C@@H]2C)c2ccccc2c1=O 67900659 FWPSXDUECQOCPZ-STQMWFEESA-N 314.385 2.865 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(F)c1 7552463 FHXYSBGIMJCGII-HNNXBMFYSA-N 318.348 2.892 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)[C@@H]1CCCOC1 96002122 ODYWSKOSVMURNF-TZMCWYRMSA-N 300.402 2.950 0 40 DFAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 19785101 ZCXVQJURNOVAGG-SFHVURJKSA-N 300.377 2.681 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(Cc1c(F)cccc1F)CC2 93614372 SNSYYERGNOVYRK-CVEARBPZSA-N 311.372 2.717 0 40 DFAB CCc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1 19812603 VNHSLLQMNHWJMC-UHFFFAOYSA-N 306.369 2.760 0 40 DFAB Cc1nnc(CN(CCCO)[C@H]2CCCc3ccccc32)o1 96455357 JXTMKOXXTVJKPQ-INIZCTEOSA-N 301.390 2.640 0 40 DFAB CCc1c(NC(=O)NC2(C)CCOCC2)cnn1CC(C)C 96495563 SQOTYJPDWKEMAW-UHFFFAOYSA-N 308.426 2.792 0 40 DFAB CN(C)c1ccc(CNC(=O)NCC2(c3ccccc3)CC2)cn1 71804960 IJIOIUIJCBBMSS-UHFFFAOYSA-N 324.428 2.679 0 40 DFAB Cc1ccccc1CNC(=O)CN(C(C)C)C1CCOCC1 77322791 GDCZAXCUHTXLEU-UHFFFAOYSA-N 304.434 2.501 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2C)c1 71856966 JEWKCPQCUPJSDJ-WBMJQRKESA-N 303.406 2.975 0 40 DFAB CC(C)(C)c1ccc(C[S@](=O)Cc2nnnn2C2CC2)cc1 72275824 NRCUFECLNQGWEP-JOCHJYFZSA-N 318.446 2.754 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)c2cc(COC)oc2C)no1 72299112 KERQJCHMEJEPAR-CYBMUJFWSA-N 319.361 2.657 0 40 DFAB CN(C)C[C@@H]1CN(Cc2c(Cl)ccc3cccnc23)CCO1 72267617 FCHFTROHTSENIE-CQSZACIVSA-N 319.836 2.651 0 40 DFAB CCCc1ccccc1NC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 97034137 SADWITSHPGFWCS-OCCSQVGLSA-N 303.406 2.757 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)CC(F)(F)F)C1 97104008 JLNPPPKGQZNVPU-VHSXEESVSA-N 324.343 2.891 0 40 DFAB O=C(c1cccnc1)N1CCN(Cc2cccc3cc[nH]c23)CC1 97230497 HCGGHPCRPLZYSV-UHFFFAOYSA-N 320.396 2.521 0 40 DFAB C[C@@](O)(CNC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccco1 78941455 FFQHJGIABYSVOX-RHSMWYFYSA-N 318.348 2.613 0 40 DFAB CO[C@H]1CCCC[C@H]1OC(=O)c1cnc(-c2cnn(C)c2)s1 95395501 HIDZWQCUGSRASA-NWDGAFQWSA-N 321.402 2.658 0 40 DFAB COc1cc(C)sc1C(=O)NCCC(=O)N1CCCCCC1 95396939 PTYXITPIDXPVJI-UHFFFAOYSA-N 324.446 2.588 0 40 DFAB COC(=O)c1cccc(NCc2cc3ccccc3[nH]c2=O)c1 95349984 RQVKHXQZVBLTAJ-UHFFFAOYSA-N 308.337 2.927 0 40 DFAB Cc1ccc(CNC(=O)N(C)C2CCC2)c(O[C@@H]2CCOC2)c1 95412647 UECHFNJZGUCGPG-MRXNPFEDSA-N 318.417 2.857 0 40 DFAB Cc1ccnc(NC(=O)c2ccn(COc3ccccc3C)n2)n1 27972240 LEUNCVUHJRIUTG-UHFFFAOYSA-N 323.356 2.579 0 40 DFAB CC(C)n1ccc(CNC(=O)N[C@](C)(CO)C2CCCCC2)n1 88578268 WOTBXNBPJQHHRE-QGZVFWFLSA-N 322.453 2.595 0 40 DFAB CCOC(=O)N(C)C1CCN(Cc2ccccc2OC)CC1 95982883 PMPFYBDNWAAQIX-UHFFFAOYSA-N 306.406 2.748 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[C@@H]1c1cccc(F)c1 95963423 ATJXVNFIKPWFGK-ZJPYXAASSA-N 311.356 2.704 0 40 DFAB CCCn1cc(N[C@H](C)Cn2cc(Br)cn2)cn1 95991573 SEHKCQIEAXZLSU-SNVBAGLBSA-N 312.215 2.753 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)NCC(=O)c1ccccc1 75144180 MGCOYPZTCYFRQT-GFCCVEGCSA-N 300.383 2.561 0 40 DFAB Cc1cc(SCC(=O)Nc2ccc(C(C)C)cc2)nc(=O)[nH]1 4314775 ZFINKWODBYQMED-UHFFFAOYSA-N 317.414 2.933 0 40 DFAB O=S(=O)(NCCSC1CCCC1)c1cccc(F)c1 36391939 MVWNMTDEKUAPJS-UHFFFAOYSA-N 303.424 2.780 0 40 DFAB Cc1noc(CCCC(=O)N2CCSC3(CCCCC3)C2)n1 79632470 ROLFCBSSYZQIJM-UHFFFAOYSA-N 323.462 2.979 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cccc(Cl)c1F 77671376 JSVZSUPXYRQERI-MRVPVSSYSA-N 306.790 2.715 0 40 DFAB CCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 32501791 XMDYBZAKYIAFHE-CYBMUJFWSA-N 310.825 2.662 0 40 DFAB c1ccc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 72390047 ICGMROLFVRSIKE-HNNXBMFYSA-N 321.384 2.906 0 40 DFAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)cn1 72405306 FQFSTSLZJUHGNW-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB C[C@H](NC(=O)N(C)CC1(c2ccccc2)CC1)[C@@H]1CCCO1 187503861 ZCZNATKFZNXBRO-HOCLYGCPSA-N 302.418 2.927 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1C 31177849 PNMVYESOCAGYFF-MRXNPFEDSA-N 302.349 2.686 0 40 DFAB O=C(NC1CCCC1)c1cc(Sc2ncccn2)ccn1 72243478 KVFLCQWKQIOJBD-UHFFFAOYSA-N 300.387 2.695 0 40 DFAB O=C(C1CCC1)N1CCC(c2cccc(-n3ccnc3)n2)CC1 72378944 KZHDHSMXEZEKGJ-UHFFFAOYSA-N 310.401 2.773 0 40 DFAB NC(=O)c1cccc(CCNCc2ccc(Cl)c(F)c2)c1 78553608 NLZBORVXQMGOSC-UHFFFAOYSA-N 306.768 2.910 0 40 DFAB Cc1nc(NCC(C)C)sc1C(=O)NCc1ccccn1 40284997 PPYYIGDMQSOUFY-UHFFFAOYSA-N 304.419 2.844 0 40 DFAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)n1 41121782 SMNHIDAPVGDJEO-HZPDHXFCSA-N 311.385 2.888 0 40 DFAB O=C(NC[C@H]1CCCO1)c1snnc1-c1ccc(Cl)cc1 225769158 AGOSAOQBMQDOQK-LLVKDONJSA-N 323.805 2.767 0 40 DFAB O=C(OCC(=O)c1cc2ccccc2o1)c1ccc(CO)cc1 49843620 QANXNBAUWMVKEI-UHFFFAOYSA-N 310.305 2.965 0 40 DFAB CCN(CC)Cc1nc(C2(O)CCN(C(C)C)CC2)cs1 225463322 GMAUNUPKNBZZRT-UHFFFAOYSA-N 311.495 2.677 0 40 DFAB biogenic,in-vitro CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 222443863 GPPOIFVMPZKRLQ-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB CC[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)c1ccncc1 195298111 FODABNFOKUVZPX-CQSZACIVSA-N 320.414 2.828 0 40 DFAB O=C(O)c1ncoc1-c1ccc(I)cc1 43304671 ALNJQRZFSKCRFG-UHFFFAOYSA-N 315.066 2.644 0 40 DFAB Cc1nc([C@H]2CN(Cc3ccccc3OC(C)C)CCO2)no1 95958111 WARLGNXIURVDCT-MRXNPFEDSA-N 317.389 2.739 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(F)c(-n2cccc2)c1 96456575 ZEMIIRLSVAETTN-MRXNPFEDSA-N 317.364 2.851 0 40 DFAB CCc1nnc(S[C@H]2CCN(c3ccc(C)cc3)C2=O)n1C 96422224 FFYVFSPOOSYQPV-ZDUSSCGKSA-N 316.430 2.584 0 40 DFAB C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1-n1cccn1 96471244 CEJSJCUVAJSLKB-CQSZACIVSA-N 321.380 2.998 0 40 DFAB COc1ccccc1CCNC(=O)c1n[nH]c2c1CCCCC2 96231314 YAGMVAGIMBIIJF-UHFFFAOYSA-N 313.401 2.660 0 40 DFAB CCN(CC)C[C@H]1CN(Cc2ccc(C)o2)Cc2nccn2C1 96059195 KXZUNYHAEXISHU-INIZCTEOSA-N 316.449 2.758 0 40 DFAB O[C@H]1CCCC[C@H]1N1CCC(OCCOc2ccccc2)CC1 96485523 GYBSSXUIWDQMBT-MOPGFXCFSA-N 319.445 2.850 0 40 DFAB COCc1csc(NS(=O)(=O)c2cc(F)ccc2C)n1 96407109 JTXWFGOHHQWMLE-UHFFFAOYSA-N 316.379 2.538 0 40 DFAB Cc1ccc(-n2ccnc2)c(C(=O)NCCc2ccc(C)nc2)c1 96436493 KKESQACKRCYKQQ-UHFFFAOYSA-N 320.396 2.857 0 40 DFAB C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCN(CC(F)(F)F)C1 96477099 ZCDKFTGSQZWSKP-GXTWGEPZSA-N 316.367 2.940 0 40 DFAB O=C(Cc1ccccc1F)N1CCC[C@H](Cc2ccn[nH]2)C1 257276380 NTLNXUZGTFMPOV-CYBMUJFWSA-N 301.365 2.573 0 40 DFAB Cc1cc(C)nc(N2CCC(c3ccnc4ccnn34)CC2)n1 257210355 BUGVNDGVVBJECT-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB CO[C@@H]1CCCOC12CCN(C(=O)c1ccccc1C)CC2 257337862 YUSVXHHJFRNVTO-MRXNPFEDSA-N 303.402 2.795 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(Cc2cnccc2C)C1 257309306 UAJXRHKATOQLSB-OAHLLOKOSA-N 311.433 2.676 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)CCc3cccs3)C2)n1 257339045 YZYXXGBMTTXGKB-ZDUSSCGKSA-N 301.415 2.795 0 40 DFAB C[C@H](NC(=O)c1cn2cc(Cl)ccc2n1)c1cccnc1 257290541 QDJUTOCALNMYBU-JTQLQIEISA-N 300.749 2.874 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257327968 XDOURLMWYXYXJH-OAHLLOKOSA-N 320.396 2.906 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 257215371 CPUTWSOLLQODEA-AWEZNQCLSA-N 311.389 2.753 0 40 DFAB Cc1cccnc1N(C)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 279328096 DWKYXJFWMAWIRK-HUUCEWRRSA-N 324.380 2.928 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)c1 41532452 RANADAHQRSLBJW-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB CCC(=O)N[C@@H]1CCCN(Cc2ccc(SC)c(OC)c2)C1 68818061 NWNZJKOIAOSDFU-CQSZACIVSA-N 322.474 2.908 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NCCCc1ccc(Cl)cc1 69349641 PMQDTEQTCQNBRL-CYBMUJFWSA-N 320.824 2.857 0 40 DFAB Cc1cc(CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2n1 70039804 YTQQCJUZOUPZOU-UHFFFAOYSA-N 309.369 2.908 0 40 DFAB O=C(CCOc1cccc(Cl)c1)N1CCC[C@H]1c1ncon1 565314547 OHAGXYLLTHHYFT-ZDUSSCGKSA-N 321.764 2.856 0 40 DFAB Cc1cnc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 96499590 WUNNGHBGAADKID-LBPRGKRZSA-N 311.451 2.941 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 11337398 UBSDWKFAFFLEQH-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB COCC(=O)N[C@H](CC(C)C)c1nc2cccnc2n1C(C)C 12114111 GMPKLYRRADRODW-CQSZACIVSA-N 318.421 2.862 0 40 DFAB CCCCC(=O)NC(=S)Nc1cccc(/C=C/C(=O)O)c1 226356740 NNGMRVUIZDMXBO-CMDGGOBGSA-N 306.387 2.788 0 40 DFAB Cc1c(CN2CCOC[C@H]2c2cc[nH]n2)[nH]c2ccc(F)cc12 1848353879 PHSJEBPDEWBVOT-KRWDZBQOSA-N 314.364 2.912 0 40 DFAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccccn1 22417919 BGCBGISMKCMHHY-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(C)cc2)c2ccccc21 4987787 OZVGQWWRAIHABB-IBGZPJMESA-N 309.365 2.709 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 5835299 LUCUOIWJSGWTTO-UHFFFAOYSA-N 303.339 2.974 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1C 30337697 LGESYEBWUMAUBN-UHFFFAOYSA-N 324.402 2.511 0 40 DFAB O=C(NCCc1ccccc1)NC[C@@H](O)c1ccc(Cl)cc1 31039328 SVHVJCIJUSBATO-MRXNPFEDSA-N 318.804 2.915 0 40 DFAB CC(C)C(=O)N1CCN(Cc2csc(-c3ccco3)n2)CC1 40488698 ABJDNRGYZYGSLI-UHFFFAOYSA-N 319.430 2.703 0 40 DFAB Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n(C)n1 40512256 UJPAKMNWAJHLEE-NSHDSACASA-N 305.765 2.572 0 40 DFAB COc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1 112369 SYYNXBXXAISVKY-UHFFFAOYSA-N 302.418 2.924 0 40 DFAB Cc1ccoc1C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 29083515 BFHOQBVLEKCSGE-AWEZNQCLSA-N 313.332 2.980 0 40 DFAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(NC(N)=O)cc1 45782761 PCESTZHDJJRRFL-JTQLQIEISA-N 301.321 2.807 0 40 DFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1 20552883 VQKVHORIDLWVCI-UHFFFAOYSA-N 310.806 2.743 0 40 DFAB O[C@@H](CNC1CCCC1)COCCOc1ccc(Cl)cc1 2701430 MIEJSCQWKBZIOL-HNNXBMFYSA-N 313.825 2.629 0 40 DFAB C[C@H]1CCc2sc3ncnc(N4CCN(C)CC4)c3c2C1 2695383 GUNABWAONSIVRS-NSHDSACASA-N 302.447 2.568 0 40 DFAB C[n+]1c(/C=C\c2ccc(O)cc2)cc(C(N)=O)c2ccccc21 4900197 IXSVXQQEXUWIEL-UHFFFAOYSA-O 305.357 2.639 0 40 DFAB CC(C)NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 101839838 DGECEKDBDWBXGZ-CPWXYTRJSA-N 322.840 2.752 0 40 DFAB CC[C@@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 6500113 OOUYYIDHJBSBGI-ZBFHGGJFSA-N 300.402 2.891 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc2c(c1)CCC2 101967565 XEWYGWDVCSWDJS-PZELGXHYSA-N 323.392 2.883 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n[nH]1 7753767 QLRPNWCWOKCMKN-UHFFFAOYSA-N 321.336 2.735 0 40 DFAB CC(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 21458024 BTSLFRMWLODLQB-ZCFIWIBFSA-N 307.680 2.832 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1 8391101 BLLGRPLOPDMEOC-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB CCOC(=O)N1C[C@@H](C)N(C(=S)Nc2ccccc2)C[C@H]1C 8626485 WLJXOFCLTSLVDP-CHWSQXEVSA-N 321.446 2.935 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)O)c2ccccc2)cc1 8649370 DZDFIJWINSXUET-OAHLLOKOSA-N 304.367 2.985 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccccn2)[C@@H]1C(=O)O 96675786 BBAULLFXDJFNAM-TZMCWYRMSA-N 320.389 2.724 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C(C)C 21933946 OTFXTWJWPNQXIV-SCLBCKFNSA-N 316.445 2.903 0 40 DFAB CCCCNC(=O)CCc1nc(-c2cccc(OC)c2)no1 9432035 OLXBOXAQWSEMPQ-UHFFFAOYSA-N 303.362 2.594 0 40 DFAB CCOC(=O)c1ccc(NC[C@@H](O)COc2ccccc2)cc1 545947 AEAHERKUIKJFSJ-MRXNPFEDSA-N 315.369 2.715 0 40 DFAB CCOC(=O)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 12398482 UKEZVNPDLHGFDD-UHFFFAOYSA-N 322.271 2.582 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102792084 HHABUIATFTVOAQ-UNEWFSDZSA-N 314.429 2.879 0 40 DFAB NC(=O)c1cccc(CSc2nccc(C(F)(F)F)n2)c1 47439102 CWQRDHVVVFHJEW-UHFFFAOYSA-N 313.304 2.887 0 40 DFAB CC(C)CN1CCC(NC(=O)NCc2ccc(F)cc2)CC1 42299760 NQKMMQWJUNIOOM-UHFFFAOYSA-N 307.413 2.745 0 40 DFAB O=C(C1CC1)N1CCC(Nc2ncnc3cccc(F)c23)CC1 54056672 MVDAZLMPKVWTBQ-UHFFFAOYSA-N 314.364 2.582 0 40 DFAB CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 914884 DCUGHGZEFCXKRQ-SNVBAGLBSA-N 320.414 2.534 0 40 DFAB Cc1ccccc1C1(CNC(=O)[C@H]2CCC(=O)N2)CCCCC1 69739635 GRYUCEKQRILASL-MRXNPFEDSA-N 314.429 2.592 0 40 DFAB CC(=O)NC(=S)Nc1c(Cl)cc(C(=O)O)cc1Cl 59843091 WYRVFDMVILKBGW-UHFFFAOYSA-N 307.158 2.525 0 40 DFAB O=C(Cn1cnc2cc(F)c(F)cc21)N1CCc2ccccc21 24380526 FGCWHSCFFAKQCZ-UHFFFAOYSA-N 313.307 2.904 0 40 DFAB COc1ccc(C(C)(C)C)cc1N[C@H](C(=O)NC(N)=O)C(C)C 24762126 RNFQGZPLWQMWEN-AWEZNQCLSA-N 321.421 2.624 0 40 DFAB Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cn1 3217246 JXRTUXNQUHLMLW-UHFFFAOYSA-N 319.748 2.542 0 40 DFAB O=C(NCc1cn2ccccc2n1)N1CC[C@@H]1c1ccccc1 43477058 XTTFYINULMCOOF-MRXNPFEDSA-N 306.369 2.991 0 40 DFAB Cc1nc2c3ccccc3nc(SCCCCCO)n2n1 72058103 QKPMYTBQFQTLAB-UHFFFAOYSA-N 302.403 2.841 0 40 DFAB Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)o1 107731367 HNFKQICETYNKQX-NVXWUHKLSA-N 301.390 2.781 0 40 DFAB C[C@H]1CN(Cn2ncnc2-c2ccccc2Cl)[C@@H](C)CO1 106827809 JHIXPDFCSIBYHS-RYUDHWBXSA-N 306.797 2.665 0 40 DFAB CC(C)c1ccc(Nc2nnc(SCC(N)=O)s2)cc1 3233054 ZKCKSXVRAZWYIX-UHFFFAOYSA-N 308.432 2.983 0 40 DFAB Cc1noc([C@@H](C)SCc2cc(=O)n3c(C)cccc3n2)n1 56228668 CDAHZMGWGIECII-SNVBAGLBSA-N 316.386 2.689 0 40 DFAB CS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccccc2)cc1 48050394 WAXQCLQMJACTRA-UHFFFAOYSA-N 318.398 2.553 0 40 DFAB COCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 36181628 VGZXSIBVZTZZFR-UHFFFAOYSA-N 317.716 2.747 0 40 DFAB CSc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 44973773 NWVUMFKEQSACQI-SNVBAGLBSA-N 304.371 2.759 0 40 DFAB Cn1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1=O 58309553 BKDRZBZDKAJSMK-INIZCTEOSA-N 302.418 2.960 0 40 DFAB CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1 58405589 KFRHFLJKNFWORK-HNNXBMFYSA-N 310.463 2.573 0 40 DFAB Cc1ccc(F)cc1NC(=O)CCNC(=O)Cc1ccccc1 12773521 OKSSYGZPHPLWCE-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB COC(=O)c1ccc(C)c(NCC(=O)Nc2ccccc2F)c1 7976838 YICGNMMBPITUQJ-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB CC1CCC(NC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 28777577 AWHNYJXUUQLKGJ-MCIGGMRASA-N 309.435 2.543 0 40 DFAB O=C1C[C@@H](c2ccccc2)N(C(=O)NC2CCCCC2)CCN1 48344855 FIHUZRBDCADENA-INIZCTEOSA-N 315.417 2.592 0 40 DFAB CN(C)c1ccc(C(=O)NCCSc2ccccc2)cn1 28894615 NUTVLKPDDUXBFJ-UHFFFAOYSA-N 301.415 2.670 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O 8152569 SQFWHUSQLZROBX-CQSZACIVSA-N 315.417 2.728 0 40 DFAB biogenic CCO[C@H]1C[C@@H](N(C)C(=O)c2ccnc(C)n2)C1(CC)CC 81616196 ZYJFZGCGHLKUMO-CABCVRRESA-N 305.422 2.841 0 40 DFAB Cc1ccccc1OCC(=O)N[C@@H](CC(=O)O)c1ccccc1 13224196 RYMUGZPFZHWHMY-HNNXBMFYSA-N 313.353 2.706 0 40 DFAB Cc1ccc(-n2cc(C(=O)N3CCc4ccccc4C3)nn2)cc1 13355580 ZSTWEEAEKXAHDP-UHFFFAOYSA-N 318.380 2.774 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)Cc1ccccc1)CC2 4085369 JXJFDNLNDFFJTE-UHFFFAOYSA-N 311.381 2.831 0 40 DFAB biogenic O=C(Nc1ccn(-c2ccccc2)n1)NC1CCSCC1 69347735 UNSUGRZBIYSNCQ-UHFFFAOYSA-N 302.403 2.889 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)COc1ccc(C(N)=O)cc1 6290074 BGOGACKNJCHFOJ-UHFFFAOYSA-N 308.337 2.837 0 40 DFAB C[C@H](C(=O)NC1CC1)N1CCC(Nc2ccccc2Cl)CC1 69442880 LDQBJNPCVPIUAI-GFCCVEGCSA-N 321.852 2.883 0 40 DFAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N1CCNC1=O 14015078 LBBLDRPWJZIQDB-SECBINFHSA-N 321.427 2.594 0 40 DFAB CC[C@@H](C)[C@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)C1CC1 65566066 JHJPHVSZGXIGSV-MFKMUULPSA-N 315.421 2.780 0 40 DFAB Cn1ncc2c1ncn1nc(-c3ccc(C(C)(C)C)cc3)nc21 5324629 YCMZCYRICVXMER-UHFFFAOYSA-N 306.373 2.976 0 40 DFAB COC(=O)c1sc2nc(C)nc(NC[C@@H]3CCCO3)c2c1C 14197141 YTANYZFWIDLXQN-JTQLQIEISA-N 321.402 2.686 0 40 DFAB COc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 4512968 LRCHHYFDALFKCK-UHFFFAOYSA-N 309.321 2.732 0 40 DFAB CC(C)(CNC(=O)NCc1ccccn1)c1ccccc1F 65621465 QTYMOPDDLLVJHS-UHFFFAOYSA-N 301.365 2.998 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)CSCc2ccncc2)C1 65626030 DULARYSQNVXLRS-INIZCTEOSA-N 321.490 2.551 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](n2cccn2)C1 65608072 TURKRZXGLBKFMF-INIZCTEOSA-N 308.385 2.702 0 40 DFAB CN(CCc1ccncc1)C(=O)c1ccn(-c2cccc(F)c2)n1 65614451 PLYROWWWUBHDPD-UHFFFAOYSA-N 324.359 2.721 0 40 DFAB Cc1cc(NC(=O)CCN2CC3C[C@H]4CC2C[C@@H](C3)C4)no1 65967871 WEENMNBMLIXSPK-DGKWVBSXSA-N 303.406 2.822 0 40 DFAB CCCc1nccn1S(=O)(=O)c1cc(Cl)ccc1OC 4649691 VFZRZRGZRAOMQD-UHFFFAOYSA-N 314.794 2.735 0 40 DFAB C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(F)cc1F 66173603 NLNXJLQGUUBAFS-JSGCOSHPSA-N 323.387 2.906 0 40 DFAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCCO1 66445165 ADYRXCCBHKDQPG-ZIAGYGMSSA-N 301.346 2.532 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@](CC(C)C)(c2ccccc2)S1 5727191 LEUXBQKZVVGWSP-INIZCTEOSA-N 319.430 2.888 0 40 DFAB CCOc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1 6879062 OHTNFNSQJVUMMJ-UHFFFAOYSA-N 309.321 2.564 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN[C@H](C(N)=O)c1ccc(F)cc1 66939548 LCFZJYVQZUYMRY-KCXAZCMYSA-N 308.397 2.537 0 40 DFAB Cc1nnc(NC(=O)CCCc2nc3ccccc3s2)o1 5938663 IEUKKLGFJRUAIJ-UHFFFAOYSA-N 302.359 2.949 0 40 DFAB CCN1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 18892200 DEUJECNTVRJIBZ-UHFFFAOYSA-N 301.434 2.957 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 7032380 BFIQQCQNGKZLHI-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB O[C@@H](CNc1ncc(Br)cn1)c1ccccc1F 67350051 QECNHMSOXUPLFR-NSHDSACASA-N 312.142 2.524 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)cc1 67317154 FCQJILAWGIMWTP-CQSZACIVSA-N 321.380 2.582 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCCC[C@H]2CC)n1 15879747 ATUAILIXFLTTFM-CYBMUJFWSA-N 323.462 2.606 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccccc1C 19736187 MNYNVZJJOXHHSC-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB Cc1c(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)oc2c(F)cccc12 84068087 LHIAUBXVPDEGQN-QMTHXVAHSA-N 304.365 2.902 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84065594 SKHSYAQCMZDDPX-SNVBAGLBSA-N 304.375 2.689 0 40 DFAB Cn1ccnc1CNC(=O)NC1CC(c2cccc(Cl)c2)C1 76088480 CPGIBCHIMZIQKF-UHFFFAOYSA-N 318.808 2.819 0 40 DFAB CCCc1cc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)[nH]n1 71865817 FIFKPFSJEQTOEI-OAHLLOKOSA-N 315.421 2.562 0 40 DFAB CCS[C@H]1CCCCN(CC(=O)Nc2c(C)nn(C)c2C)C1 71899667 AHDLRZUILJBDJI-AWEZNQCLSA-N 324.494 2.583 0 40 DFAB CCN1CCC[C@H](NCc2c[nH]nc2-c2cccc(OC)c2)C1 71825276 BIAXGMNZOAMCDT-INIZCTEOSA-N 314.433 2.659 0 40 DFAB c1ccc(CCN2CCC[C@@H]2c2nnc3n2CCCCC3)nc1 71915621 FYZLHWIAXLHNBX-MRXNPFEDSA-N 311.433 2.779 0 40 DFAB Cc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)no1 97047002 ZTXVDFGZLLAIED-UHFFFAOYSA-N 321.280 2.506 0 40 DFAB COC[C@H](NCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 97033208 GHARJAIVGGHHAD-UXLLHSPISA-N 304.434 2.753 0 40 DFAB C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2)CN1Cc1ccccc1 97033795 ZRJANHUGODAURH-KSSFIOAISA-N 309.413 2.860 0 40 DFAB CC(C)COC[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 78941036 ZCDPAOAQBAPTMV-XQLPTFJDSA-N 312.454 2.550 0 40 DFAB CCOc1cccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1OC 95457750 QAHJYHNDLWUVLD-YJBOKZPZSA-N 321.417 2.522 0 40 DFAB C[C@H](C(=O)Nc1cccnc1Cl)N(C)CCc1ccccn1 95409702 AMITWDCHUCWOPT-GFCCVEGCSA-N 318.808 2.632 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2F)on1 73772526 XAFYAXVCWCNAOM-LBPRGKRZSA-N 317.364 2.695 0 40 DFAB CC(=O)NCCc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 9952568 UJSARLIZUSNAKX-UHFFFAOYSA-N 317.414 2.691 0 40 DFAB Cc1sc2ncnc(N3CCCC[C@H]3CC(N)=O)c2c1C 89565318 YAJCHGJCINMUBF-NSHDSACASA-N 304.419 2.542 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CC1 89598339 FYOQYIWQLRLJCZ-GWCFXTLKSA-N 313.850 2.600 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)OCCNc1cccnn1 75104057 HCJDZIDHMKXDQZ-ZDUSSCGKSA-N 317.414 2.754 0 40 DFAB COC(=O)c1ccc(NC(=O)CCc2csc(C)n2)cc1 41191723 XNQDRDXJWDUUSA-UHFFFAOYSA-N 304.371 2.809 0 40 DFAB Cc1c(NC(=O)COc2ccccc2F)cccc1C(=O)O 20144599 CAJKVYGBYDAXML-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCNC3)cc2)cc1 65371382 BEZCFLYVVNGWSR-HNNXBMFYSA-N 323.396 2.795 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)C1 129941729 SDKQGARFZLBWGQ-GUYCJALGSA-N 319.424 2.870 0 40 DFAB CN1CCC[C@H](c2nnc3sc(Cc4ccccc4)nn23)C1 1501040563 YERZLLPOPVXLFU-ZDUSSCGKSA-N 313.430 2.586 0 40 DFAB COc1ccc(CCNC(=S)c2ccc3c(c2)OCO3)cc1 408571367 ALHYTRIGZTUSNT-UHFFFAOYSA-N 315.394 2.932 0 40 DFAB Cc1nccn1CC(=O)N[C@@H](C)c1ccc2nc(C3CC3)[nH]c2c1 1553980000 DSDNKFYJFSINLJ-NSHDSACASA-N 323.400 2.823 0 40 DFAB CCOc1ccc2nc(NC(=O)c3ncccn3)sc2c1 56906734 PRMMRUBSGCHLKM-UHFFFAOYSA-N 300.343 2.737 0 40 DFAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@H]1CNCCO1 187466653 IMTLZRSSKQPIPH-MRXNPFEDSA-N 316.332 2.545 0 40 DFAB Cc1ccnc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203055 LCKVNTIDJDWBRP-ZDUSSCGKSA-N 306.410 2.844 0 40 DFAB C[C@H](NC(=O)CNCC1CC1)c1ccc(C(F)(F)F)cc1 37613387 VBSBHUVEHHMJPX-JTQLQIEISA-N 300.324 2.882 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2Cl)cc1 72227168 XDFWWVXTHIBXMS-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB CC(=O)NCc1ccc(C(=O)OCc2cccnc2Cl)cc1 78445945 WPRYYSOYSKPMLF-UHFFFAOYSA-N 318.760 2.728 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 78726496 RRDCXPVIBAYKCQ-KEYYUXOJSA-N 324.490 2.725 0 40 DFAB C[C@H]1C[C@@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)O1 79030306 MUDYXKRKPXHHEQ-IINYFYTJSA-N 300.314 2.648 0 40 DFAB Cc1nc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)co1 44892134 XRULRAPEROWUCU-UHFFFAOYSA-N 315.333 2.879 0 40 DFAB C[C@H](CN1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 195572850 JVKKQTKFBFTIQE-RHSMWYFYSA-N 308.853 2.850 0 40 DFAB CC(C)CC[C@]1(C)NC(=O)N(CCOc2ccccc2F)C1=O 40059265 KSQPDWKTNKAFJW-KRWDZBQOSA-N 322.380 2.951 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cn1 61900444 DNEHWTOEXVFCNQ-UHFFFAOYSA-N 324.428 2.951 0 40 DFAB c1ccc2c(c1)CC(NCC1(N3CCCCC3)CCOCC1)C2 89594278 LFSQAZRRUKCTQM-UHFFFAOYSA-N 314.473 2.779 0 40 DFAB c1csc([C@@H](CN[C@H]2CCCSC2)N2CCOCC2)c1 195558435 OMDXQGGUSCBCKJ-UONOGXRCSA-N 312.504 2.607 0 40 DFAB CCCNC(=S)Nc1nc(OC)cc(Oc2ccccc2)n1 225884564 DAJNDHIFFDVWIZ-UHFFFAOYSA-N 318.402 2.974 0 40 DFAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1 226258523 VQMMAHZTRXFDBF-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB Cn1nc(NS(=O)(=O)/C=C/c2ccccc2)c2ccccc21 96136897 VQSMJIMUUHEOHX-VAWYXSNFSA-N 313.382 2.986 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(Cc2cccnc2)C3)cs1 96202526 IULNAYIMFOMEFZ-UHFFFAOYSA-N 314.458 2.554 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2cccnc2)cc1 96441846 GLVMSIDRRUXEQM-QGZVFWFLSA-N 324.380 2.624 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H](NC2CCSCC2)C1 95351248 GKDQUUAQUMOTOC-INIZCTEOSA-N 304.459 2.776 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1C 96207847 JOHYMYOTMYCZCZ-HNNXBMFYSA-N 308.491 2.989 0 40 DFAB C[C@H]1c2ccccc2CN1C(=O)[C@H](C)n1nnnc1C(C)(C)C 331747205 DFZXXXKNOSIEMM-RYUDHWBXSA-N 313.405 2.635 0 40 DFAB Cc1ncsc1COC(=O)c1csc(-c2cnccn2)n1 96420372 LTZWISCZFJZEEV-UHFFFAOYSA-N 318.383 2.722 0 40 DFAB C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@H](C)C(C)(C)C)CC1 96503166 NNZHUEWPGIYAHC-LSDHHAIUSA-N 318.465 2.904 0 40 DFAB c1cnc(N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc1 96045850 VPHYAKHDJXAYRF-FPMFFAJLSA-N 314.414 2.777 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cc(C)on2)C[C@@H]1Cc1ccccc1 96110166 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O=C(N[C@@H]1CCc2c(F)cccc21)c1ccnc(-n2ccnc2)c1 55682903 BLUNAGLOYDPKMH-MRXNPFEDSA-N 322.343 2.824 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)s1 69516045 PPRZZMQZZGFKOE-YPMHNXCESA-N 323.462 2.645 0 40 DFAB COc1ccc(-c2nc(CNC3(C(=O)O)CCCC3)co2)cc1 95428027 HRMKOAFVNHEMSR-UHFFFAOYSA-N 316.357 2.837 0 40 DFAB COc1cc(F)cc(NC(=O)NCc2cccc(N(C)C)n2)c1 95981900 CIQITJONKWABEJ-UHFFFAOYSA-N 318.352 2.617 0 40 DFAB Cc1cc(C(=O)NCC2(c3ccsc3)CCOCC2)no1 952987065 PGKKMTVUWYTSLZ-UHFFFAOYSA-N 306.387 2.523 0 40 DFAB CCCNC(=O)CSc1nnc(-c2ccc(OCC)cc2)o1 5169958 QGVLNWJMATWLHO-UHFFFAOYSA-N 321.402 2.754 0 40 DFAB O=C(Nc1cc2ccccc2cc1C(=O)N1CCOCC1)C1CC1 14064415 HGAHCDLZUNUUQG-UHFFFAOYSA-N 324.380 2.661 0 40 DFAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCOC2)n1 19240142 DSBMQZPJEGQFCN-OLZOCXBDSA-N 322.455 2.950 0 40 DFAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C(C)(C)N)sc1C 19559661 HOULLCNBYKVEGN-LBPRGKRZSA-N 323.487 2.959 0 40 DFAB O=C(O)c1cnn(CC(F)(F)F)c1-c1ncccc1Cl 205406013 WLGNDWMVQCXBSB-UHFFFAOYSA-N 305.643 2.859 0 40 DFAB CCOC(=O)C1=Cc2cc(Br)cc(OC)c2OC1 2599374 NXBULIFHGIFKJT-UHFFFAOYSA-N 313.147 2.797 0 40 DFAB CC(C)N1C[C@@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408708981 VYLAKYJDRKNTGK-NFOMZHRRSA-N 308.466 2.964 0 40 DFAB CCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N 4486311 GEIDEERBHDTMMB-UHFFFAOYSA-N 321.716 2.526 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccnc2Cl)[C@@H]1C 5838070 PMIUXZUZSJTYLS-WZRBSPASSA-N 324.808 2.833 0 40 DFAB CN(C)S(=O)(=O)N(Cc1cccs1)Cc1cccs1 27958070 RSLFAPQECOCFNB-UHFFFAOYSA-N 316.473 2.618 0 40 DFAB CC1CC(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)C1 1565548659 GZTHWWORVCSJPS-UHFFFAOYSA-N 318.461 2.674 0 40 DFAB Cc1nnc2sc(SC/C=C/c3ccccc3)nn2c1=O 4347034 JPYYULJLOSZRJK-VMPITWQZSA-N 316.411 2.660 0 40 DFAB CCCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 12345590 NIWFIKSKBNLXSG-AWEZNQCLSA-N 319.792 2.590 0 40 DFAB CCCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)CCC)CC2 17269654 JXSPSYYDSDWTOG-UHFFFAOYSA-N 324.446 2.523 0 40 DFAB COc1ccc(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 30029033 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Cc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 6678605 SEZLJEZPIYFMBK-ISVAXAHUSA-N 317.370 2.610 0 40 DFAB COc1ccc(SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 7277471 MNJUBMVEJKZXQE-UHFFFAOYSA-N 316.382 2.525 0 40 DFAB CCOC(=O)CSCC(=O)Nc1cc(Cl)ccc1C 7506487 ZOHGZTBARUTPPS-UHFFFAOYSA-N 301.795 2.883 0 40 DFAB Cc1ccccc1-n1nc(CSc2nccn2C)cc1O 10157391 GERJTZCHAVCENI-UHFFFAOYSA-N 300.387 2.912 0 40 DFAB Cc1ccc([C@](O)(CCNC(=O)c2ccco2)C(F)(F)F)o1 32827976 KWTYLRXVPXFIBS-CYBMUJFWSA-N 317.263 2.751 0 40 DFAB CCOC(=O)c1c(NCc2ccco2)c2ccccc2[nH]c1=O 497392 VVIKDEVGAXZJSS-UHFFFAOYSA-N 312.325 2.910 0 40 DFAB Cc1cccc(N2CCN(C[C@H](O)c3ccccc3F)CC2)c1 26909991 IYDUOKKAIDSDKG-IBGZPJMESA-N 314.404 2.990 0 40 DFAB COc1ccc(CCC(=O)NCc2ccc(C)n2C)cc1OC 23573819 KJHQYZBLDPBGOM-UHFFFAOYSA-N 316.401 2.600 0 40 DFAB Cn1cc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 12528230 FHFVODMIOPKVHV-ZDUSSCGKSA-N 322.364 2.748 0 40 DFAB COc1ccccc1CC(=O)Nc1cccc(-c2nnco2)c1 24697255 SELJMSCEHDRPMU-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C 55312192 JSVSGPLUEKKLHM-KFWWJZLASA-N 300.402 2.568 0 40 DFAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 57536078 ONHCETNAZHKCPD-OAHLLOKOSA-N 324.380 2.721 0 40 DFAB CC(C)CCN1CCN(Cc2nc(-c3cccs3)no2)CC1 47869500 GGQQSFLVBYRYAL-UHFFFAOYSA-N 320.462 2.962 0 40 DFAB Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1 3244163 ARZYORFXUISAPF-UHFFFAOYSA-N 314.370 2.965 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccncc1 108087552 UVWULEUMRVGEPR-CPUCHLNUSA-N 301.434 2.769 0 40 DFAB CN1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1 8191798 BVEPCTNVTJQKRW-UHFFFAOYSA-N 316.449 2.893 0 40 DFAB Cc1c([C@@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)cnn1C 91967714 XGZHGLYQQSHYKA-KRWDZBQOSA-N 322.416 2.851 0 40 DFAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccncc2)C1 58132595 JQWUBUUUSFJLCY-UONOGXRCSA-N 318.421 2.630 0 40 DFAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccccc2C)no1 58279305 ZVQCFIOIQMYAMK-QKVFXAPYSA-N 306.387 2.567 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cnc21 44951329 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LMMCIGGZMNTSSV-CYBMUJFWSA-N 320.462 2.711 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)s1 6558322 DOWVXXIZMLAKRY-UHFFFAOYSA-N 316.426 2.535 0 40 DFAB CS(=O)(=O)Cc1ccc(C(=O)OCc2ccccc2)cc1 5622282 PMNXNYOYMHQHOD-UHFFFAOYSA-N 304.367 2.588 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1 8845532 GVBKNSKTBPFNBE-KRWDZBQOSA-N 305.337 2.957 0 40 DFAB Cc1c(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)oc2c(F)cccc12 84068088 LHIAUBXVPDEGQN-HZMBPMFUSA-N 304.365 2.902 0 40 DFAB N=C(CC(=O)n1cc(Cl)ccc1=N)Nc1ccc(Cl)cn1 27490401 JTXVRQLCTCWBON-UHFFFAOYSA-N 324.171 2.789 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)c2cccc3ccccc23)no1 96000918 VLOVXTMOWQMZMQ-MRXNPFEDSA-N 323.352 2.745 0 40 DFAB C[C@@H]1NCCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94598793 OHQZDXVJYZMPDH-KWQFWETISA-N 304.287 2.715 0 40 DFAB CC(=O)Nc1ccc(C2=NN=C(NC(C)(C)C)SC2)c(F)c1 9482069 OFONSKPUXSRAAA-UHFFFAOYSA-N 322.409 2.979 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1F 9550054 ZKMPANDKIVYNSO-AWEZNQCLSA-N 304.321 2.501 0 40 DFAB Cc1cccc(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)c1 71858872 VJZDHDTVJCWUIP-QRQCRPRQSA-N 315.438 2.949 0 40 DFAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cnc(N(C)C)n1C 83736768 VBXFIWWNCHTUJH-JSGCOSHPSA-N 321.469 2.500 0 40 DFAB COC[C@H](O)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 72287624 RKGXSQFTZNKCDW-GFCCVEGCSA-N 314.341 2.715 0 40 DFAB CCOCC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96501392 ZXNKAWFUZFWPNL-CYBMUJFWSA-N 317.307 2.642 0 40 DFAB O=C(Nc1ccccc1F)N1CCc2c(ncn2C2CC2)C1 97020607 AQDMEHFBJQMNEX-UHFFFAOYSA-N 300.337 2.947 0 40 DFAB C[C@H](NC(=O)NCCOc1ccc(Cl)cn1)c1cccnc1 97015316 RLYPOKHIWGATCY-NSHDSACASA-N 320.780 2.569 0 40 DFAB COCCC[C@@H](C)C(=O)N1CCC[C@@H](N2CCCCCC2)C1 97047284 PBVSLVNXMFHAHZ-IAGOWNOFSA-N 310.482 2.916 0 40 DFAB Cn1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cn1 72403989 FOIABECSBCIHMS-LBPRGKRZSA-N 313.386 2.850 0 40 DFAB C[C@@H](NC(=O)COC1CCCCC1)[C@@H](O)c1ccc(F)cc1 95430014 GLKBMWAETGYMFF-SJKOYZFVSA-N 309.381 2.713 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C12CCCCC2 98018827 IDJNNBIKBYLYRV-HUUCEWRRSA-N 306.406 2.770 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 98014152 PEHZJMJTDPBKDM-WBVHZDCISA-N 313.401 2.626 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@H]3COc4ccccc43)c2)n[nH]1 75091926 HQDJCHDDJVLZPX-HNNXBMFYSA-N 320.352 2.644 0 40 DFAB Cc1cccnc1CNC(=O)NCc1ccccc1-n1cccn1 89700550 WOACJGOKTQNMAG-UHFFFAOYSA-N 321.384 2.575 0 40 DFAB COc1cccc(NC2CCN(Cc3nncs3)CC2)c1 1548453657 UFVSIYNTVLVBPV-UHFFFAOYSA-N 304.419 2.623 0 40 DFAB COc1ccc(-c2csc3ncnc(N(C)CCO)c23)cc1 8986594 XNFRHXGHPFPLDM-UHFFFAOYSA-N 315.398 2.795 0 40 DFAB Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCO2)c2ccccn2)cc1 79360619 UQSVKHLOMISSQH-QZTJIDSGSA-N 310.397 2.969 0 40 DFAB CCc1nc(-c2ccccc2O)n(-c2ccc(C(=O)O)cc2)n1 72370113 ISLBVHXMMMFGJW-UHFFFAOYSA-N 309.325 2.901 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31129148 NQRUJMWCQYGVBI-DOMZBBRYSA-N 300.358 2.713 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(Cl)cn2)C1 72202990 NOKMWZDSVCPYPZ-NSHDSACASA-N 312.801 2.941 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccc(C)cc2)C1=O 36636253 WNQKJLZVCHSHMS-WQLSENKSSA-N 320.370 2.507 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(Cl)c1 78978913 LJQRAOYQFWHQTL-JTQLQIEISA-N 317.838 2.807 0 40 DFAB COc1cc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79438737 SDRPHFPLLCCZEP-GFCCVEGCSA-N 323.393 2.511 0 40 DFAB c1ccc2c3c([nH]c2c1)C12CCN(CC1)[C@H]([C@@H]1CCOC1)N2CC3 72326159 CDHVULDMLOAIPM-KUHUBIRLSA-N 323.440 2.693 0 40 DFAB COc1ccsc1C(=O)NC[C@H](O)c1ccc(Cl)s1 75268380 GDGLSZMCAYQSHM-ZETCQYMHSA-N 317.819 2.935 0 40 DFAB Cc1cnc(C2CCN(C(=O)N[C@H]3COCC3(C)C)CC2)s1 569311539 OBVKJRSBQLPGIP-ZDUSSCGKSA-N 323.462 2.766 0 40 DFAB CSc1ccccc1NC(=O)c1nc(-c2cnccn2)no1 42381513 CIORUURGRJEGND-UHFFFAOYSA-N 313.342 2.501 0 40 DFAB O=C(NC[C@H](O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 75171788 VGVGMBNQIVJYFM-LBPRGKRZSA-N 315.247 2.642 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)N[C@H](C)CC 225417906 ALTIRLUWHDMCMQ-KGLIPLIRSA-N 320.433 2.737 0 40 DFAB Cc1nn2cccnc2c1C(=O)OC[C@@H]1CCOc2ccccc21 195565077 GPKYUXWZNDHGLC-ZDUSSCGKSA-N 323.352 2.761 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NCC(C)C 224553206 XNGCCONAGILPPO-INIZCTEOSA-N 304.434 2.976 0 40 DFAB O=C(c1cccc2nn[nH]c12)N1CCC[C@@H]1COc1ccccc1 97103929 OYKZLBXYUVAZCZ-CYBMUJFWSA-N 322.368 2.642 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)[C@@H](C)c2ccsc2)n1 96414348 CVZXZTIEFUJABU-LBPRGKRZSA-N 317.414 2.700 0 40 DFAB CCOc1ccc(CNc2cc(-n3cccn3)nc(N)n2)cc1C 92897346 LCZKHVWSSANCNO-UHFFFAOYSA-N 324.388 2.564 0 40 DFAB COCC[C@H]1CO[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96222155 TUMJZRGRRCNDCJ-CZUORRHYSA-N 309.431 2.796 0 40 DFAB COc1ncncc1NC(=O)N1CC2(CCC2)c2ccccc21 333517029 NCKOCJLILRZMEE-UHFFFAOYSA-N 310.357 2.959 0 40 DFAB CSC[C@@](C)(O)CNC(=O)Nc1cccc(-n2cccc2)c1 96415913 SDNWSUZRINLOAO-INIZCTEOSA-N 319.430 2.713 0 40 DFAB CCc1cnc(N2CC3(CCN(Cc4ccsc4)C3)C2)nc1 96202749 KHEOBFXHCWXQMN-UHFFFAOYSA-N 314.458 2.813 0 40 DFAB CSCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 97049296 HJYXPQIPOJEEBT-CABCVRRESA-N 306.475 2.719 0 40 DFAB CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccsc2)c1 96408974 WIKHBMMJACOUSF-OAHLLOKOSA-N 305.399 2.999 0 40 DFAB Cc1ccc(Br)cc1C(=O)NC[C@@H](O)c1ccco1 96436083 RUJHRDFUEXOJGZ-GFCCVEGCSA-N 324.174 2.814 0 40 DFAB Cc1ccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1 96475920 LDHGOVHMVVGXTK-MHWRWJLKSA-N 308.337 2.754 0 40 DFAB COc1cccc2c1CCN(C(=O)C[C@H]1CCCC[C@@H]1O)C2 241946718 UNKJPMKJIASYTB-CJNGLKHVSA-N 303.402 2.521 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 245225365 TXIZVDZWJMDSHJ-BSWAZPDLSA-N 318.461 2.815 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 252218728 ZUTOWCUCXLEAMG-JXFSHQFZSA-N 309.431 2.586 0 40 DFAB Cc1noc(C)c1CN1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 252001711 MPSHOBBCJQTEOS-BPQIPLTHSA-N 320.433 2.697 0 40 DFAB Cc1cc(CN2CCC(c3cc(C)n4nccc4n3)CC2)no1 257209648 BRICPIZSPQABCG-UHFFFAOYSA-N 311.389 2.714 0 40 DFAB O=C(NCc1cccs1)N1CCC[C@@H](Oc2ccncc2)C1 575605122 MHSWUNAQUGYLJV-CQSZACIVSA-N 317.414 2.896 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 43566306 GALSOMCPKPMDOJ-SNVBAGLBSA-N 305.227 2.534 0 40 DFAB CS(=O)(=O)CCN1Cc2ccccc2[C@H](c2ccccc2)C1 43751789 XBIONWKSVQVOIT-SFHVURJKSA-N 315.438 2.679 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1 44867075 RTHIMOXVHACTTF-HNNXBMFYSA-N 321.442 2.965 0 40 DFAB COc1ccc(OC)c([C@@H](O)CNCc2ccc(C)s2)c1 47888035 ZXAQNMCZFSAJQX-HNNXBMFYSA-N 307.415 2.897 0 40 DFAB Cn1cc([C@@H]2CC(c3ccccc3)=NN2c2ncccn2)cn1 69153741 JVZWXSOBBZJHAM-INIZCTEOSA-N 304.357 2.566 0 40 DFAB CS(=O)(=O)C1(C(=O)Nc2ccc3ncccc3c2)CCCC1 69623650 HMSSTMROUFSWBK-UHFFFAOYSA-N 318.398 2.531 0 40 DFAB CC(C)Cc1ccc(CNC[C@](C)(O)c2cnn(C)c2)cc1 95410414 RUPJGPQIFWGSRQ-SFHVURJKSA-N 301.434 2.616 0 40 DFAB O=C(OCCc1c[nH]nc1C(F)(F)F)[C@H]1C[C@H]1c1ccco1 84432334 XNWRBIAXCOZXII-ZJUUUORDSA-N 314.263 2.911 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)n1c(S)nnc1-c1cccs1 95393887 KKOMACXSOKHEGO-MRVPVSSYSA-N 310.448 2.771 0 40 DFAB CCc1nc2cc(NC(=O)C3Oc4ccccc4O3)ccc2n1C 12147372 CDWWCAISOBKLNO-UHFFFAOYSA-N 323.352 2.872 0 40 DFAB O=C(CCSCc1ccccc1)NCCCn1ccnc1 13688181 YSWAAPHZSSSFJP-UHFFFAOYSA-N 303.431 2.713 0 40 DFAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CN1CCCC1 19312912 DIMYAPMQMVHHMY-LCYFTJDESA-N 306.362 2.915 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1ccc2c(c1)CCCO2 19458865 YULZEEGNBIZDKV-SMDDNHRTSA-N 317.385 2.531 0 40 DFAB CN(C)CCN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19582862 IEKLDGWQEAETGD-UHFFFAOYSA-N 321.896 2.551 0 40 DFAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C)C)c1 205454279 QSVGWZGAZFPNNF-WJDWOHSUSA-N 312.369 2.884 0 40 DFAB Cc1ccc(C)c(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)c1 575606817 MGJZGJVLXRHXKL-QGZVFWFLSA-N 316.445 2.534 0 40 DFAB CC(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888860067 XUMJUGXKVCWLKX-ZDUSSCGKSA-N 315.348 2.530 0 40 DFAB Cc1cc(N2CCN(c3nsc4ccccc34)CC2)ncn1 1888901009 DLQUQXYTEJYTNR-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB Cc1cc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cn2)no1 24843243 HYZWTQRTIAUPAH-CYBMUJFWSA-N 320.780 2.807 0 40 DFAB O=C(C1CCC(F)(F)CC1)N1CC(COc2cccnc2)C1 1775995561 UGZCNJLFSATYRG-UHFFFAOYSA-N 310.344 2.744 0 40 DFAB CCS(=O)(=O)Nc1cccc(-c2cn3ccsc3n2)c1 4249099 JRPVBZARVLZFJR-UHFFFAOYSA-N 307.400 2.824 0 40 DFAB C[C@@H](C(=O)Nc1ccccn1)n1nc(-c2ccccc2)ccc1=O 38670911 UPQFPVZZZIKPIA-ZDUSSCGKSA-N 320.352 2.505 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1cccs1 75156125 UKEUVVVNJLADHX-GFCCVEGCSA-N 310.806 2.934 0 40 DFAB CNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 20220218 JTSHBMIQQJGJET-UHFFFAOYSA-N 311.410 2.923 0 40 DFAB CCOc1ccc(OCC(=O)NC[C@@H]2Cc3ccccc32)cc1 40150308 IHCJKNAHFNBYAW-HNNXBMFYSA-N 311.381 2.920 0 40 DFAB COc1cccc(CNC(=O)NCCCOc2ccccc2)c1 31037704 WXGLSLVYPQDVES-UHFFFAOYSA-N 314.385 2.964 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 31737524 WFPGGPMHMLWINW-LBPRGKRZSA-N 310.353 2.817 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)nn1C 40504806 AOJJIXXTBRQVRY-MRXNPFEDSA-N 324.384 2.631 0 40 DFAB O=C(COC(=O)[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 131962 AIRSVVQCGQJHJW-NSHDSACASA-N 318.156 2.654 0 40 DFAB CCc1cc2c(=O)n(CC(=O)OC3CCCCC3)cnc2s1 148800 UXAVKOXRXSIQHA-UHFFFAOYSA-N 320.414 2.896 0 40 DFAB CCOC(=O)c1ccc(N2CCC[C@H]2c2cc(C)on2)nc1 29527462 DSHJNQIKQYRHLA-AWEZNQCLSA-N 301.346 2.896 0 40 DFAB Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccccc2)c(=O)[nH]1 32841609 ZWMNJASBJACKQQ-CYBMUJFWSA-N 313.401 2.539 0 40 DFAB CCN(C(=O)COC(=O)c1ccc(Cl)nc1)c1ccccc1 60506248 SBZOFWBKPYNHPG-UHFFFAOYSA-N 318.760 2.945 0 40 DFAB Cc1c(C(=O)N(C)C2CC2)cnn1-c1ccc(C(F)(F)F)cn1 52584060 LUJZEIRGCZPDDR-UHFFFAOYSA-N 324.306 2.829 0 40 DFAB Cc1cccc(-c2nc(CSc3nnnn3C(C)C)no2)c1 32913775 VHXCLUUJKHOMGJ-UHFFFAOYSA-N 316.390 2.905 0 40 DFAB CCCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 9142026 DUDVTDRZNNVWRM-UHFFFAOYSA-N 311.341 2.897 0 40 DFAB Cc1ccc(-c2noc(CN3CCCC[C@@H]3CCO)n2)cc1F 69663208 MUURTHCDZYGMRL-CQSZACIVSA-N 319.380 2.921 0 40 DFAB O=C(O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 21982935 KECRWVICHLZSTA-UHFFFAOYSA-N 300.358 2.742 0 40 DFAB CN(C)CCOC(=O)[C@@H]1CC2=C(C[C@@H]1C(=O)O)C(C)(C)CCC2 517956 PKMWXNTYYZTJQQ-UONOGXRCSA-N 323.433 2.709 0 40 DFAB biogenic Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(N)CC2)c1 33451248 MVVFINYLCBADSU-CQSZACIVSA-N 304.434 2.835 0 40 DFAB O=C1COc2cc(C(=O)Nc3ccccc3Cl)ccc2N1 22588316 OILUIHCUZNYIRA-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)O[C@@H]21 12371496 RROCIQVJGOEFSU-INIZCTEOSA-N 311.293 2.533 0 40 DFAB biogenic CC(C)CCC[C@H](C)NC(=O)Cn1cnc2ccccc2c1=O 8152571 SQFWHUSQLZROBX-AWEZNQCLSA-N 315.417 2.728 0 40 DFAB biogenic COC(=O)c1ccnc(NC(=O)[C@H](SC)c2ccccc2)c1 172551079 YVRHSSCCRWGNLV-CQSZACIVSA-N 316.382 2.911 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC[C@H]1Cc1ccccc1Cl 55525087 OAXXTRLWMLATFJ-ZDUSSCGKSA-N 316.788 2.876 0 40 DFAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccs1 55339764 CKZVQIYGLOKGMH-OAHLLOKOSA-N 317.458 2.720 0 40 DFAB CC(=O)Nc1nc(COC(=O)c2cc(F)cc(F)c2)cs1 24914625 KWXAQXZIVLFGFI-UHFFFAOYSA-N 312.297 2.737 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 106575628 ZAQLEMYYPXLUOQ-DVOMOZLQSA-N 309.381 2.977 0 40 DFAB Cc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3c2cc(C)nc(N)n2)cc1 100159789 OSUYAHROIGVMQS-HZPDHXFCSA-N 324.428 2.695 0 40 DFAB C[C@H]1C[C@@H](NC(=S)NC(=O)c2cccnc2)CC(C)(C)C1 1418819 TZMWOCSBMGREGS-WCQYABFASA-N 305.447 2.901 0 40 DFAB CC(C)Cc1noc(CNc2ccc(C(N)=O)c(Cl)c2)n1 55836710 CLVVEAVRQUMFTJ-UHFFFAOYSA-N 308.769 2.633 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCC[C@H](C)C2)c(OC)c1OC 10541082 PNOXCJQGFKHLJO-FROQITRMSA-N 319.401 2.984 0 40 DFAB NC(=O)[C@H](NCCOc1cccc(Cl)c1)c1ccccc1 56157138 VUIMUQXJIYDVGE-OAHLLOKOSA-N 304.777 2.535 0 40 DFAB COCCOCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 56634177 NKNSWHIIGOTRLP-VIFPVBQESA-N 306.189 2.834 0 40 DFAB Cc1cc(C)nc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 116827813 RYZIVHWVTYEGAP-QZTJIDSGSA-N 308.429 2.662 0 40 DFAB CN1CCN(Cc2ccc(Br)cc2Cl)CC1 60876073 YRWUJAPTVPOVIV-UHFFFAOYSA-N 303.631 2.850 0 40 DFAB O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1c1ccc(F)cc1 44420135 ROFOHKLKUSVJPQ-LBPRGKRZSA-N 324.315 2.791 0 40 DFAB Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)N(C)C)cc1 60156156 HIUXUFLXEASMHB-KRWDZBQOSA-N 322.412 2.904 0 40 DFAB COc1ccccc1NC(=O)CCNC(=O)c1ccccc1C 10214933 FNNOLJXEIQYACC-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)C1 58210397 ISWPNFKNXRZSPG-KGLIPLIRSA-N 324.852 2.954 0 40 DFAB O=C(CCn1cncn1)Nc1ccc(OC(F)F)c(Cl)c1 10817141 FGUDMNHQGYTCDE-UHFFFAOYSA-N 316.695 2.562 0 40 DFAB CC(C)NC(=O)Nc1ccc(C(=O)NCCc2ccco2)cc1 48369658 WPYBVGPIQHFYLB-UHFFFAOYSA-N 315.373 2.782 0 40 DFAB O=C1COc2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2N1 12874124 YXMBBHHATJCRGK-UHFFFAOYSA-N 304.252 2.548 0 40 DFAB CC[C@H](C(=O)OCC(=O)Nc1cc(C)on1)c1ccccc1 3446494 WAZNPRCFNGGKCW-ZDUSSCGKSA-N 302.330 2.659 0 40 DFAB CC[C@H](C)NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235644 CLPOKOHNTQOCDT-NSHDSACASA-N 302.374 2.558 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 70039620 UOFUADRYYZRCFB-GFCCVEGCSA-N 304.419 2.515 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1F 3504265 FFDLDENDXXIEJA-OAHLLOKOSA-N 302.349 2.986 0 40 DFAB CN(CC1CC(O)C1)C(=O)Cc1csc(-c2cccs2)n1 91490114 ZVEFTHMWPIBETG-UHFFFAOYSA-N 322.455 2.643 0 40 DFAB O[C@@H](CNCCn1cccn1)c1cc(Cl)ccc1Cl 49076507 VMYUNLZTNFGTFO-ZDUSSCGKSA-N 300.189 2.513 0 40 DFAB COc1cc(NC(=O)NC2CCCC2)ccc1N1CCOC1=O 63347286 IUURDLMLMKQMOF-UHFFFAOYSA-N 319.361 2.716 0 40 DFAB O=C(CCc1nccs1)N1CCN(c2ccccc2F)CC1 49677757 SQTRCPFBCCXWNJ-UHFFFAOYSA-N 319.405 2.564 0 40 DFAB Cc1ccc2c(CC(=O)N3CCn4c(C)nnc4C3)coc2c1C 69459591 CETHMSQAIJWZCA-UHFFFAOYSA-N 324.384 2.534 0 40 DFAB CC1CCC(C)(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 65592643 FSRZTSQKGTWPFU-UHFFFAOYSA-N 324.446 2.757 0 40 DFAB COc1cc2nc(Cc3ccc(F)cc3)[nH]c(=O)c2cc1OC 65578895 XLGQQKYQRAWCEB-UHFFFAOYSA-N 314.316 2.670 0 40 DFAB COc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 5393946 JWGGWMKPKIENHJ-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cccs2)c1C 14139391 RIMHEUVSVHUAHO-UHFFFAOYSA-N 321.354 2.519 0 40 DFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)cc1 18158496 XBMFEXZZRRLOJB-UHFFFAOYSA-N 311.316 2.634 0 40 DFAB COc1ccc2[nH]c(C)c(CCNC(=O)C(F)(F)F)c2c1 4786468 IXHCCEUPNCGRLJ-UHFFFAOYSA-N 300.280 2.706 0 40 DFAB biogenic,in-vitro Cc1cc(O)c2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c1 4742669 DTLPWUJYBPPSGY-UHFFFAOYSA-N 315.369 2.670 0 40 DFAB COc1cc(NC(=O)CNc2ccccc2F)cc(OC)c1 15086678 NHVWHWGXSHMOEN-UHFFFAOYSA-N 304.321 2.894 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 7053730 UOSHAQGJUYKEDQ-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 7374793 GRBLSGNMLWLQHN-UHFFFAOYSA-N 301.367 2.641 0 40 DFAB COc1ccc(NC(=O)[C@H](C)Sc2ncccn2)cc1OC 15707617 WNQNXMZRPFWPRG-JTQLQIEISA-N 319.386 2.613 0 40 DFAB Cc1cccc(C)c1OCCCNC(=O)N(C)C1CCOCC1 80665395 YOAAORCYNBMLOP-UHFFFAOYSA-N 320.433 2.893 0 40 DFAB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(OC)c1O 15978000 ODCQQTZDRQVTQM-MDWZMJQESA-N 311.337 2.926 0 40 DFAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCc2ccccc21 7600738 JQMHVMGHQKLDIH-CYBMUJFWSA-N 315.417 2.596 0 40 DFAB COCCn1cc2c(n1)[C@H](NC(=O)Nc1ccccc1)CCC2 96002636 AHAMVKOYRVPTAS-OAHLLOKOSA-N 314.389 2.729 0 40 DFAB Cc1ccc(O)c(CN(C)Cc2nccn2Cc2ccccc2)n1 93337109 RQKKNHSQIXLFPG-UHFFFAOYSA-N 322.412 2.972 0 40 DFAB Cc1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1C 93454896 SLJPIJSDOFVDCM-GOSISDBHSA-N 313.445 2.983 0 40 DFAB O=C(C1CCCCCC1)N1CCn2c(nnc2C(F)(F)F)C1 89818856 MNLICBNTHHZQHY-UHFFFAOYSA-N 316.327 2.610 0 40 DFAB Cc1ccc2nc(CN(C)Cc3ccccc3C)cc(=O)n2c1 9377506 GQKWDDOJHNIFDA-UHFFFAOYSA-N 307.397 2.943 0 40 DFAB OCc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)o1 93868265 WALGOOPIMWZDOG-QAPCUYQASA-N 301.386 2.860 0 40 DFAB CONC(=O)c1cc(Br)sc1Br 96408377 MEQIZEKFGXAIFE-UHFFFAOYSA-N 314.986 2.564 0 40 DFAB O=C(CC[C@@H]1CCCO1)N[C@H]1CCCN(c2cccc(F)c2)C1 96407382 BPSWYODHDSOAJN-RDJZCZTQSA-N 320.408 2.870 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3c(c2)COC3)c1 71869957 MSCAVDJUYZIINN-QGZVFWFLSA-N 311.385 2.527 0 40 DFAB COc1ccc(C)cc1CN1CCC[C@@H]1[C@@H]1CCCN1C(C)=O 71880535 HDXYCBLYQRAHGN-MSOLQXFVSA-N 316.445 2.979 0 40 DFAB O=S(=O)(CC1CCCCC1)N1CCO[C@H]2CCCC[C@@H]21 72230512 HLMSTLGBFFCQIA-GJZGRUSLSA-N 301.452 2.540 0 40 DFAB NS(=O)(=O)c1cccnc1NCc1csc2ccccc12 75611118 MUGZSKHZLZSVIW-UHFFFAOYSA-N 319.411 2.556 0 40 DFAB Cn1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1=O 76066997 BOWASAPXFIDXAB-UHFFFAOYSA-N 310.275 2.742 0 40 DFAB CCCOC(=O)c1cc(I)ccc1F 84756673 JUBORNUGNDDSST-UHFFFAOYSA-N 308.090 2.997 0 40 DFAB Cc1nc(CC(=O)N[C@@H](C)[C@H](C)Oc2ccccc2)cs1 95400141 AXMUOALXLZHUAK-RYUDHWBXSA-N 304.415 2.966 0 40 DFAB CN(C)S(=O)(=O)c1cccc(CSCc2ccccn2)c1 95991001 WPTJLRUXTCXJHP-UHFFFAOYSA-N 322.455 2.765 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(CC2(c3c(F)cccc3F)CC2)C1=O 95992643 QPDJVRBMEGLTAI-INIZCTEOSA-N 320.339 2.717 0 40 DFAB CC[C@H](NC(=O)N[C@@](C)(CO)C1CC1)c1ccccc1OC 95966557 KKPVRCXQAVQZJP-YOEHRIQHSA-N 306.406 2.607 0 40 DFAB O=C(Nc1cccc2[nH]cnc12)c1cc(OCC(F)F)ccn1 95994373 HQGJKPPVSJYHIT-UHFFFAOYSA-N 318.283 2.854 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(-c2ccccc2)o1 95952539 JWULOWHUIHFMEX-UHFFFAOYSA-N 318.332 2.998 0 40 DFAB CC(C)c1nc(CNC[C@@H]2CCCN2c2cccnn2)cs1 75128918 YGCQFJRYECYNNF-AWEZNQCLSA-N 317.462 2.815 0 40 DFAB CC(C)(CNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(F)c1 89761727 SXHRFIOZRXPXCN-CYBMUJFWSA-N 315.392 2.679 0 40 DFAB COC(=O)CCCNC(=O)c1cc2cc(C)ccc2nc1C 32854555 GXWAAQXHUBSPFP-UHFFFAOYSA-N 300.358 2.535 0 40 DFAB O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)C1CCC1 38755062 RDNSEOCKSVEWOO-UHFFFAOYSA-N 314.341 2.529 0 40 DFAB Cc1nc(CNc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)[nH]c1C 563441007 UTKJFJGANDHHCP-TXEJJXNPSA-N 315.421 2.647 0 40 DFAB NCCOc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 35655677 NPNOUBCKQJWEPO-UHFFFAOYSA-N 301.243 2.639 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCSCC2)cc1 120177477 WKMHZLDTIZQZJZ-ZDUSSCGKSA-N 313.488 2.642 0 40 DFAB Cc1noc([C@H]2CCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1 560390676 ZYVIMWXAMOLXNG-ZDUSSCGKSA-N 324.340 2.663 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1cn2cc(Cl)ccc2n1 66060711 IDWKSTONPBSDIM-UHFFFAOYSA-N 311.728 2.784 0 40 DFAB C[C@H]1CCN(C(=O)[C@H]2CCN(Cc3ccccc3)C2)CCS1 565192868 RGJRXHXJVNHXDN-RDJZCZTQSA-N 318.486 2.863 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1ccc(F)cc1F 75161992 ONVLAQMJTOPOFV-UHFFFAOYSA-N 319.315 2.999 0 40 DFAB CC(C)=CCC[C@@H](C)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 565554481 ORCHFYPZUMTGLM-HLLBOEOZSA-N 318.465 2.664 0 40 DFAB CCc1noc(C)c1CNC(=O)Cc1ccc2c(c1)CCCO2 563172785 KXGFGJGKKZCYKY-UHFFFAOYSA-N 314.385 2.729 0 40 DFAB C[C@@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H](c2ccco2)C1 195531239 BQYBYBDEZLLMFZ-TZMCWYRMSA-N 306.387 2.837 0 40 DFAB CCCOc1c(I)cc(F)cc1C(=O)O 225278119 LFYZSALWXMUELJ-UHFFFAOYSA-N 324.089 2.917 0 40 DFAB CC[C@H](C(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccccc1 192876885 KCMZKSMOXVAQOC-HNNXBMFYSA-N 323.458 2.606 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1 89370979 OEVWTQTWXQGURZ-ZDUSSCGKSA-N 322.723 2.518 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC(C)C 222847441 FRWZOJHITYCTLW-MRXNPFEDSA-N 320.433 2.737 0 40 DFAB C[C@@H](CNC(=O)[C@H]1CCCc2cccnc21)c1nccs1 194863540 AAZBEKNMFVDLBJ-AAEUAGOBSA-N 301.415 2.878 0 40 DFAB C[C@@H]1CCN(Cc2ccc(-c3ccccc3)o2)CCS1(=O)=O 192051131 KJSXUDBHOCAEIR-CQSZACIVSA-N 319.426 2.956 0 40 DFAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(C)=O 222901211 CNYZPWDXANIXLU-ZDUSSCGKSA-N 308.397 2.869 0 40 DFAB CN(c1ccccc1)C1CCN(C(=O)Nc2ccn(C)n2)CC1 84320345 KPNPVFWXKLYNEX-UHFFFAOYSA-N 313.405 2.553 0 40 DFAB NC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485806 QTTIPADHHYQXBA-UHFFFAOYSA-N 309.413 2.827 0 40 DFAB CC1(O)CCN(C(=O)NCCCc2ccc(Cl)s2)CC1 225515129 FBEOLPBAYGQCKR-UHFFFAOYSA-N 316.854 2.891 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1ccccn1 226851855 WOJCQDZPHIQZDA-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C 195136555 IHDUNPSVZDNDJP-PWSUYJOCSA-N 311.403 2.757 0 40 DFAB COc1cc(S(=O)(=O)Nc2cccc3[nH]cnc23)ccc1F 195576950 ICVYBKBDVTXSLD-UHFFFAOYSA-N 321.333 2.511 0 40 DFAB CC(C)(CO)NC(=O)Nc1ccc(-c2nccn2C(F)F)cc1 95410923 LNKBMQXQKVOWBL-UHFFFAOYSA-N 324.331 2.838 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCC(F)(F)F)C1 96431066 IYZGEUSKLLHGGO-JTQLQIEISA-N 324.343 2.845 0 40 DFAB Cc1cccc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n1 96073856 VWJNTPTVVXTNME-OALUTQOASA-N 316.445 2.940 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1C(C)C 96051764 VSXZTCCEQYXVEM-OAHLLOKOSA-N 320.433 2.631 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)NC3CCCC3)CC(=O)N2C)cc1 96181306 LHIVGNLJDPTVFL-WBVHZDCISA-N 300.402 2.573 0 40 DFAB CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)c1ccsc1 96473118 VCHLITXVEOUVGL-JSGCOSHPSA-N 323.462 2.550 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@@H]1CCOC1 96418903 VVOULMKRVKNJCF-SNVBAGLBSA-N 310.191 2.591 0 40 DFAB CCOC(=O)[C@H](CN)[C@@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242750682 ZVWBFUVUIJMJET-PDWMJMLSSA-N 322.493 2.805 0 40 DFAB COc1cccc([C@H](C)CC(=O)NC[C@@H]2CCCC[C@H]2O)c1 245344184 XYQOFZBOKQQTNM-UKPHBRMFSA-N 305.418 2.856 0 40 DFAB CCO[C@H](C)c1nc(CN2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cs1 245287305 BVUOCIIAVQVLJN-BGNCJLHMSA-N 308.447 2.850 0 40 DFAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cccc(C)n2)nc1 257210816 BWHZRRONUGXQSD-LJQANCHMSA-N 324.428 2.758 0 40 DFAB C[C@@H](c1nc(Cc2cccnc2)no1)N(C)CC(F)(F)F 252508210 XGKGRCHVCQOQEB-VIFPVBQESA-N 300.284 2.611 0 40 DFAB COCc1nn2c(O)c(C)c(C)nc2c1-c1ccc(OC)cc1 253496361 YIWARTHANAFANR-UHFFFAOYSA-N 313.357 2.874 0 40 DFAB COc1cccc(CN2CCC[C@H](Cc3nccnc3N)C2)c1 257256976 KNPGJHZEOUXRMP-OAHLLOKOSA-N 312.417 2.522 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@H]2CCc2ccnc(C)c2)cn1 257317616 VKMXPLRJUYTAEF-INIZCTEOSA-N 310.401 2.726 0 40 DFAB COC(=O)c1c(N)sc(Cc2ccc3c(c2)OCO3)c1C 85436318 PVOYNICJAKYPQG-UHFFFAOYSA-N 305.355 2.745 0 40 DFAB Cc1nc(C)c(CNC(=O)NC2Cc3ccccc3C2)s1 273935163 ITUHAZABEZZVIF-UHFFFAOYSA-N 301.415 2.727 0 40 DFAB CC(C)(C)c1nc(C(=O)Nc2cc(C(=O)O)ccn2)cs1 659767901 PWHZBXPVWGZLMQ-UHFFFAOYSA-N 305.359 2.786 0 40 DFAB CCOC(=O)c1cc(Br)cnc1Br 47202762 NMPIHOQTXGSWRI-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB in-vitro COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(OC)C3)cc1 585319734 PRWJSFNZGZPQQO-GJZGRUSLSA-N 303.402 2.796 0 40 DFAB Cc1nc(CN2CC[C@](O)(COc3ccc(F)cc3)C2)cs1 1615190402 CMILBUIMAXSCET-MRXNPFEDSA-N 322.405 2.606 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1ccccc1Br 848932 WPYKUYRNLDWLHF-LLVKDONJSA-N 311.223 2.663 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 11175588 ZDWIHMCYFQHIFC-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccco3)[C@@H]1CCC2 12183422 UEUTYFLSMGIUNC-RHSMWYFYSA-N 303.358 2.784 0 40 DFAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)C2CC2)cc1 12328727 ACINBMDDXXEKON-JKIFEVAISA-N 301.386 2.864 0 40 DFAB Cc1ccc(OCC(=O)NCCN(C)c2ccccc2)c(C)c1 12611530 UNIMDDRMCMDCLO-UHFFFAOYSA-N 312.413 2.935 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 13999460 YAVAVLAGHIVIEV-WWGRRREGSA-N 318.392 2.874 0 40 DFAB COc1cc(OC)cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c1 6850971 GFZRNTDTHBILBC-SJCJKPOMSA-N 315.369 2.556 0 40 DFAB CN(C)CCCN1c2ccccc2C[C@H](C(N)=O)c2ccccc21 5333813 CFSATXOJZPIVKJ-KRWDZBQOSA-N 323.440 2.901 0 40 DFAB O=C(CCC1CCCC1)N1CCC[C@H](Oc2cnccn2)C1 225469329 ORTGDACWUOSBME-HNNXBMFYSA-N 303.406 2.817 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)NC[C@H](c1cccs1)N(C)C 28415431 BQNFWIYPHJSRSO-GXTWGEPZSA-N 321.446 2.874 0 40 DFAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccccc1F 244998774 KSURCEBBESRZRT-MRXNPFEDSA-N 310.332 2.589 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H]2c2[nH]c(=N)n3ccsc23)n1 2037838512 KODVILWYWPFBGW-NSHDSACASA-N 314.418 2.557 0 40 DFAB Cc1cc(CN2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)no1 2086938279 WEPZBIKKQMPDHB-GFCCVEGCSA-N 321.371 2.968 0 40 DFAB Cc1cccc(/N=c2\scc(C)n2N2CCOCC2)c1C 4585541 REZNMPCIIUYYKW-MSUUIHNZSA-N 303.431 2.675 0 40 DFAB CSc1ccc(NC(=O)COc2ccc(Cl)cc2)nn1 11791953 WOIPZTILRJWJIV-UHFFFAOYSA-N 309.778 2.869 0 40 DFAB O=C(O)CSc1nc(=O)c2c(-c3cccs3)csc2[nH]1 20378715 XCNZFONVDVKJBQ-UHFFFAOYSA-N 324.408 2.890 0 40 DFAB CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(OC)c1 40510028 RJSNFDKBYLNANY-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB C[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 51182727 UQJBHSNWHXNFNH-ZDUSSCGKSA-N 302.349 2.938 0 40 DFAB CCN(CC)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 36724309 CDPCSDHMNVICOM-UHFFFAOYSA-N 321.380 2.868 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(C(C)C)cc2)S1 182320 PDPHQCQWRDAFQC-AWEZNQCLSA-N 305.403 2.811 0 40 DFAB C[C@@H](CCc1ccccc1)Nc1c(NCc2ccco2)c(=O)c1=O 101691706 HTQUPBIPMNCIOL-ZDUSSCGKSA-N 324.380 2.921 0 40 DFAB CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)no1 384276 RVAJFECORZDQNC-UHFFFAOYSA-N 307.302 2.544 0 40 DFAB Brc1cccc2c(NC[C@@H]3CCOC3)ncnc12 52007347 MCQATQGTSYGYJX-VIFPVBQESA-N 308.179 2.841 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)c(OC)c1 21225333 VJSJNYGNIBRERF-LBPRGKRZSA-N 306.406 2.953 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1C 7053029 ZOJPZWZKQXMFMQ-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB O=C(c1ccc(-n2ccnn2)cc1)N(CC1CC1)c1cccnc1 89829109 YHMKBHJRFPGMGU-UHFFFAOYSA-N 319.368 2.719 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@@H]1Cc2ccccc2O1 41177851 JIXBEPKNMPUBLG-ZDUSSCGKSA-N 302.399 2.859 0 40 DFAB Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10365296 BXORVIUOPPQIQQ-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB CCOC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)C(C)C 32911692 CDTHEKXEBHTVEC-SMDDNHRTSA-N 310.369 2.774 0 40 DFAB CCOC(=O)C1CCN(C(=S)c2ccccc2OC)CC1 9188304 VLMMPIILRMMBIJ-UHFFFAOYSA-N 307.415 2.646 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@H]2c2cc(C)no2)cs1 55259065 DVFKLPVESFCQIP-LBPRGKRZSA-N 305.403 2.908 0 40 DFAB CCC(CC)[C@H](NC(=O)CN1CCCC1=O)c1cccs1 56008021 AGTUKLGHAZVMPV-INIZCTEOSA-N 308.447 2.964 0 40 DFAB CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccc2F)cc1 25688803 WWQNCMHHNASUGU-LBPRGKRZSA-N 314.360 2.953 0 40 DFAB CSCc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 12579078 NDLKZWFXEGLBQC-UHFFFAOYSA-N 300.383 2.901 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cn2)c2ccccc2N1 26089224 BSIGAVKPFJTCRE-NSHDSACASA-N 301.733 2.800 0 40 DFAB CCOc1ccc(CNCCCNC)cc1Br 57388069 TXSDWOYVYAKWFL-UHFFFAOYSA-N 301.228 2.547 0 40 DFAB C[C@H](CCNC(=O)N[C@@H]1CCCc2sccc21)[S@@](C)=O 108477920 GTXNUMMNCJCUOB-MPDMTVCLSA-N 314.476 2.582 0 40 DFAB O=C1c2ccccc2N[C@H](c2csnn2)N1Cc1cccnc1 57771369 TZRZPEWGZSJHED-HNNXBMFYSA-N 323.381 2.700 0 40 DFAB CC(C)c1ccc2nc(CC(=O)NC3CCCC3)[nH]c(=O)c2c1 57771963 CDVAHKBFYXGDTJ-UHFFFAOYSA-N 313.401 2.648 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccc(COC)cc2)n1 44516716 CFZZYULTGIXPTI-UHFFFAOYSA-N 320.370 2.719 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cscn1 57984580 DWQKALCGEAZAHP-LLVKDONJSA-N 305.403 2.611 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)Cn1cccn1)c1nc2ccccc2[nH]1 58214274 MHUDAYYZFHKYMA-MLGOLLRUSA-N 311.389 2.663 0 40 DFAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc2ccccc2c1 7756019 WJNAJOORFACODN-OAHLLOKOSA-N 312.394 2.806 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)c1sccc1Br 48128796 VFAUCPFECCFGTG-MRVPVSSYSA-N 314.208 2.526 0 40 DFAB Cc1ccccc1OCCN1C(=O)N[C@](C)(c2ccccc2)C1=O 3362201 FGGSUSUUGGUGAZ-LJQANCHMSA-N 324.380 2.841 0 40 DFAB COc1ccc(CN(C)[C@H](C)C(=O)NCc2cccs2)cc1 12796998 GNLHSQPRYJGMJO-CYBMUJFWSA-N 318.442 2.893 0 40 DFAB Cc1nnc([C@@H](C)N2CCN(c3cccc(C)c3C)CC2)o1 48275529 DVCIUHZSYMZDHV-CQSZACIVSA-N 300.406 2.878 0 40 DFAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(O)cc1O 3417589 SAXICUCOHNPSKA-UHFFFAOYSA-N 315.325 2.510 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)COc1ccc2ccccc2c1 3462709 RKSCHORFCHODEV-CYBMUJFWSA-N 315.369 2.677 0 40 DFAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1C 3446021 BVXKZZLKWGKVHH-UHFFFAOYSA-N 320.776 2.917 0 40 DFAB Cc1cc(C)c(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(C)c1 12979873 GGPJVTYBDRZIGL-UHFFFAOYSA-N 313.401 2.883 0 40 DFAB Cn1cnnc1-c1ccccc1NC(=O)Cc1ccc(F)cc1 68727186 NIZSTBORAPMRMM-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB O=C(O)[C@@H]1CCCCN1Cc1sccc1Br 13115471 RVMKWNHYLRLCQK-VIFPVBQESA-N 304.209 2.950 0 40 DFAB COc1cccc([C@H](C)N2CCN(C(=O)c3ccoc3)CC2)c1 69705589 PMPPLQPPSIQGQN-AWEZNQCLSA-N 314.385 2.807 0 40 DFAB Cc1cc(NCc2ccc(C(N)=O)cc2)nc(-c2cccnc2)n1 69161090 JAWNUQYIQUZSID-UHFFFAOYSA-N 319.368 2.558 0 40 DFAB CN(Cc1ccco1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 14057727 FBRXGWQQYNBRGD-CYBMUJFWSA-N 302.305 2.503 0 40 DFAB C[C@H]1C[C@H](Sc2nc(C3CC3)n(-c3ccccc3)n2)C(=O)O1 8230463 VTAADRHYAMLIIS-GWCFXTLKSA-N 315.398 2.941 0 40 DFAB NC(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 6535564 RODQUDSYNXGHMH-UHFFFAOYSA-N 322.408 2.620 0 40 DFAB Cc1ccc(C2=NO[C@]3(CC(=O)N(c4ccccc4)C3=O)C2)cc1 5577944 OQWREPVVXAARSJ-IBGZPJMESA-N 320.348 2.822 0 40 DFAB Cc1ccc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 5621878 MATPWZFTQQNKQN-UHFFFAOYSA-N 318.394 2.897 0 40 DFAB Cc1noc(C)c1NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 66767574 IOXNLJXGCJYDTD-IWXRYERYSA-N 319.405 2.657 0 40 DFAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(N)=O)o3)cc2C1 4937663 MMIQOLIURVITGX-JGVFFNPUSA-N 323.443 2.889 0 40 DFAB CCCSCC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69451977 MORVYQVIIBGIET-AWEZNQCLSA-N 322.474 2.781 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(F)cc1 29298058 TVBDMVUFXOORRT-CYBMUJFWSA-N 303.333 2.788 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1F 15584337 VKXUIOYNSWJXCP-HNNXBMFYSA-N 318.348 2.892 0 40 DFAB Cc1c(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cnn1C(C)C 92527748 IDBSRHPMIWQXSU-OAHLLOKOSA-N 315.421 2.656 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1 8920144 VHIGBCTZHCBOGE-UHFFFAOYSA-N 313.748 2.783 0 40 DFAB CC(C)c1nncn1CCNc1ccc(Br)cn1 89893819 PLLPYCBYZABCTF-UHFFFAOYSA-N 310.199 2.671 0 40 DFAB CN(C)c1nc(N)nc(CSCc2ccccc2Cl)n1 9156165 ONIPHFLVJYCPEY-UHFFFAOYSA-N 309.826 2.607 0 40 DFAB COc1cc(CNC(=O)Nc2cc(C)on2)c2ccccc2n1 84120117 KAQHQJXIWFPBBJ-UHFFFAOYSA-N 312.329 2.862 0 40 DFAB c1ccc(-c2cc(CN3CCn4c(nnc4C4CC4)C3)on2)cc1 72268385 JTRRUEHZZQWTSB-UHFFFAOYSA-N 321.384 2.826 0 40 DFAB CC(C)c1nc(COc2ccc(OCC(N)=O)cc2)cs1 96417381 ONJXPRZBAOPDEN-UHFFFAOYSA-N 306.387 2.710 0 40 DFAB c1cc2c(cc1-c1noc(CSC3=NCCS3)n1)OCO2 71855216 JZOJAIKLOSQPIU-UHFFFAOYSA-N 321.383 2.801 0 40 DFAB Cc1nc(COC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)no1 71890075 LDWOWHTVJZKKSE-UHFFFAOYSA-N 304.350 2.564 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccnc2)C1 71857180 XBALNODHOZDCGR-GJZGRUSLSA-N 304.438 2.562 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 71910022 PZHWEBMDAVPAJN-JTQLQIEISA-N 319.434 2.652 0 40 DFAB Cc1cc(CN(C)C[C@H](c2cccs2)N2CCOCC2)on1 75603719 VEXQMNYRPXNXCK-OAHLLOKOSA-N 321.446 2.550 0 40 DFAB CN(Cc1ncc(-c2ccccc2)o1)C1CCS(=O)CC1 97212742 FIKFATJMCWNQIM-UHFFFAOYSA-N 304.415 2.685 0 40 DFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCCc1ccccn1 95396450 SSAUFIQZTJXHIU-MRXNPFEDSA-N 314.433 2.832 0 40 DFAB Cc1nc(CNC(=O)N[C@H]2CCc3c(O)cccc32)c(C)s1 95443382 QDDCLQDOTSTJTB-ZDUSSCGKSA-N 317.414 2.952 0 40 DFAB Cc1cc(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH]n1 95464791 LVLSZRKYANQFAE-CQSZACIVSA-N 313.401 2.892 0 40 DFAB CC(C)n1nccc1NC(=O)N1CCCC[C@H]1CCN(C)C 95462213 WRCMWKRZRLHWAU-AWEZNQCLSA-N 307.442 2.802 0 40 DFAB COc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)nn1 95406990 DARNBGQPQKXKTB-AWEZNQCLSA-N 312.373 2.582 0 40 DFAB Cc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)o1 79018368 YGPFLADOTFGXLK-CHWSQXEVSA-N 324.446 2.572 0 40 DFAB CC1(C)Cc2cccc(OCC(=O)NC[C@H]3CCCS3)c2O1 95965004 ZNEWQVVPRGHHQL-CYBMUJFWSA-N 321.442 2.791 0 40 DFAB CN(C)c1nc(CNc2cc(F)ccc2-n2cccn2)ns1 89660250 AQCQILWDNIXECE-UHFFFAOYSA-N 318.381 2.541 0 40 DFAB COc1c(F)cc(F)cc1NC(=O)Nc1cc2n(n1)CCCC2 554482742 VQSMSPMQBFYRGM-UHFFFAOYSA-N 322.315 3.150 0 40 DFAB COC(=O)c1ccc(C2CC2)c(I)c1 39951745 FTYVMHWRMYXQMH-UHFFFAOYSA-N 302.111 2.955 0 40 DFAB CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1ccc(F)nc1 521395805 STBXBRVWHOFNEY-UHFFFAOYSA-N 310.369 2.709 0 40 DFAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1nccn1-c1ccccc1 529082295 QNXIIDKVVZTPQW-SJCJKPOMSA-N 312.373 2.561 0 40 DFAB O=C(Nc1ccc2c(c1)CCO2)N[C@H]1CCO[C@@H](C2CC2)C1 183684988 MSAWRWCJCXARNH-GOEBONIOSA-N 302.374 2.701 0 40 DFAB CC(=O)N[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 73372787 JDYAEPOVCTZWTD-YSIASYRMSA-N 322.408 2.878 0 40 DFAB Cc1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)nn1C 73304742 ICXRNTLXVFIEBP-UHFFFAOYSA-N 310.401 2.605 0 40 DFAB Cc1nnc(NC[C@H](c2ccccc2Cl)N2CCCC2)o1 561105017 IKRMQAUMVGOQHT-CQSZACIVSA-N 306.797 3.280 0 40 DFAB OC1=NN=CC=C2C1=NNc1c(-c3ccc(Cl)cc3)cnn12 40395859 CLEHXFSHBSHNCL-UHFFFAOYSA-N 312.720 2.782 0 40 DFAB S=C1NC2(CCCC2)NN1c1ccc(Br)cc1 225351535 HEMAMCAQSLZITR-UHFFFAOYSA-N 312.236 2.919 0 40 DFAB Cc1csc(CNc2nccc(-c3cn(C)nc3C)n2)n1 48072005 TVWXYVGRTDQPFR-UHFFFAOYSA-N 300.391 2.563 0 40 DFAB CCOCC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165830 ZONBYUATJVPRBS-LSDHHAIUSA-N 320.389 2.699 0 40 DFAB C[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)CN(C)C 85423401 JTCTWZIAEFDKME-ZIAGYGMSSA-N 321.469 2.623 0 40 DFAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223470546 KKKOSAFEOFDUNI-QGZVFWFLSA-N 314.360 2.662 0 40 DFAB O=C(O)C[C@@H](CC(=O)NCCc1ccco1)c1ccc(F)cc1 226750410 VATDHATVKUFAQD-CYBMUJFWSA-N 319.332 2.726 0 40 DFAB O=C(c1cc(Cl)sc1Cl)N1CCn2nccc2C1 238877303 OJLIKVIDXSYILU-UHFFFAOYSA-N 302.186 2.907 0 40 DFAB Cc1cc(C(=O)NCC(=O)Nc2ncc(C(C)C)s2)c(C)o1 96441005 YFIAOYWXTZFUEQ-UHFFFAOYSA-N 321.402 2.845 0 40 DFAB C[C@H](NC(=O)N[C@H](C)CCc1cccn1C)c1ccccn1 96437622 OSWXWJAYOVDMEK-KGLIPLIRSA-N 300.406 2.802 0 40 DFAB Cc1nc(Cc2noc(-c3ccc(OCC4CC4)cc3)n2)no1 96405243 OTHFMFXATDAREC-UHFFFAOYSA-N 312.329 2.808 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)C[C@@H](O)C(F)(F)F)c(C)c1 96502848 FUHJQNRBYDJXII-CYBMUJFWSA-N 318.339 2.676 0 40 DFAB CCc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)nc(C)n1 96425635 WKGWHEBIGZLFOB-UHFFFAOYSA-N 324.384 2.727 0 40 DFAB CNC(=O)N1CCC2(CC1)CN(C(C)C)c1c(F)cccc12 96261787 WDTZCYOYXOLMHQ-UHFFFAOYSA-N 305.397 2.727 0 40 DFAB CCOC(=O)N1[C@H](C(=O)NC2CC2)CC[C@H]1c1ccc(C)o1 96413170 ZECFSRPVYCFGTF-STQMWFEESA-N 306.362 2.529 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1C 96423787 GNPCKOZECUGQOG-KRWDZBQOSA-N 310.397 2.979 0 40 DFAB O=C(COC[C@H]1CCCO1)N1CC[C@H]1c1ccc(Cl)cc1 96426798 JMPFLOLECOSLIP-CABCVRRESA-N 309.793 2.809 0 40 DFAB Cc1nc(CNC(=O)Nc2nc3c(s2)COCC3)sc1C 96434990 AXHGAZVCKWAVRP-UHFFFAOYSA-N 324.431 2.611 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 247822731 ICCAWIOUEGFUMQ-QZWWFDLISA-N 305.418 2.528 0 40 DFAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1c(F)cccc1Cl 252508328 XKKXYRUYFAAUMM-BDAKNGLRSA-N 301.745 2.797 0 40 DFAB c1cnc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 257223909 DZKRZEGADVLAQA-MRXNPFEDSA-N 322.412 2.649 0 40 DFAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(F)c2)O[C@@H]2CCC[C@@H]12 257319025 VQJIYLCDLVPBBO-YLFCFFPRSA-N 321.392 2.977 0 40 DFAB CCN1CCC(N2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 257232083 GJINXLOYRDMVGR-KRWDZBQOSA-N 302.466 2.769 0 40 DFAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]2)[C@H]1O 257311844 ULGNHFWIEZFVRU-BRWVUGGUSA-N 316.401 2.558 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccsc1 252537452 LFBDPARASYIKNB-JOCQHMNTSA-N 321.377 2.797 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](CO)Cc2ccncc2)CC1 277655640 OONDKBFXOUONSG-ULQDDVLXSA-N 304.434 2.564 0 40 DFAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc(-c2ccccc2)on1 96123120 SEBLEZKRPLQVER-CQSZACIVSA-N 324.340 2.752 0 40 DFAB Cc1ccc(NC(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390827641 IKSLFBWDNOYWRE-CQSZACIVSA-N 316.336 2.609 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCC3CCCC3)CCO2)C1 575403789 JSLILBNKXRMGJB-BMFZPTHFSA-N 307.434 2.609 0 40 DFAB CCn1nncc1CN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 579211385 IRYSDSUELUHEIH-CYBMUJFWSA-N 309.417 2.735 0 40 DFAB O=C(c1csc2c1CCCC2)N1CC[C@]2(CCCO2)C(=O)C1 585289623 SNBJHABVVJIYJW-QGZVFWFLSA-N 319.426 2.591 0 40 DFAB O=C1N(CC2CCCCC2)C[C@@]12CCCN(C[C@@H]1CCCO1)C2 585099329 FKXXHKVAJVMUNW-HKUYNNGSSA-N 320.477 2.670 0 40 DFAB Cc1n[nH]c(C)c1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585279542 ZQWRIFNVMRCERA-ROUUACIJSA-N 317.408 2.734 0 40 DFAB Nc1nc(Cl)cc(NCc2cccc(Cn3cccn3)c2)n1 54837070 FETGYHANUSFVCS-UHFFFAOYSA-N 314.780 2.569 0 40 DFAB Cc1nnc(NC(=O)NCc2cc(-c3ccccc3)on2)s1 58354948 GTZLXEBKILSFAS-UHFFFAOYSA-N 315.358 2.823 0 40 DFAB Cc1cnn(C2CN([C@H](C)c3nnc(-c4cccs4)o3)C2)c1 69571136 KMGUZMOTYRSITO-LLVKDONJSA-N 315.402 2.921 0 40 DFAB Cc1noc([C@H]2CCCN(Cc3ccc(-n4ccnc4)cc3)C2)n1 69530208 SWCNLKBBBCBMCM-INIZCTEOSA-N 323.400 2.943 0 40 DFAB Cc1c(C(=O)N[C@H](C)c2cnn(-c3ccccc3)c2C)cnn1C 71185643 KRMYTFBHOCFXDY-GFCCVEGCSA-N 323.400 2.714 0 40 DFAB Cc1cc([C@H](C)NC(=O)N2CC[C@H]([C@@H](C)O)C2)cc(C)c1F 97107970 ABOJBWAFUDCISY-MJBXVCDLSA-N 308.397 2.916 0 40 DFAB CCn1nccc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 195559945 QFTVYFGYGIYQGL-YZGWKJHDSA-N 324.472 2.903 0 40 DFAB CCc1nnc(NCc2cc3cc(OC)ccc3[nH]c2=O)s1 19523682 IBVLXIMNXDLRFI-UHFFFAOYSA-N 316.386 2.563 0 40 DFAB C1=C[C@@H]2C[C@@H]1C1(COC3(OC1)OCC1(CO3)C[C@@H]3C=C[C@H]1C3)C2 169795913 VGFOQSFPTGPPBK-LKTMSYTBSA-N 316.397 2.856 0 40 DFAB COc1cc2c(cc1O)C1CN(C2)Cc2cc(OC)c(O)cc21 1719374 WANGCRRQVXDQLF-UHFFFAOYSA-N 313.353 2.576 0 40 DFAB biogenic CO[C@H]1CN(Cc2cncn2C)CC[C@@H]1Cc1cccc(F)c1 643914794 WUSRXFVWDDNGAR-QAPCUYQASA-N 317.408 2.639 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCCN2CCCCCC2=O)C1(C)C 32309349 SSCDAYPUPRWIBD-GOEBONIOSA-N 306.450 2.744 0 40 DFAB CCOc1ccc(CC(=O)NCCSC2CCOCC2)cc1 238950965 WXISTHMHAZNFRJ-UHFFFAOYSA-N 323.458 2.656 0 40 DFAB CCOC(C[C@H](C)NC(=S)NCc1ccccc1)OCC 2346882 ZNTNZTOYFOHXJS-ZDUSSCGKSA-N 310.463 2.828 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)c1cccnc1Cl 30299976 VGAQAVRPMGVZAY-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 277413 WQHXULQNYRDGQB-UHFFFAOYSA-N 307.357 2.596 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)O 45945820 RICQWNHYAIFYED-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccnc2)cc1Cl 807460 HIUUKEQCJKGNBL-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB O=C(O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 2527377 PWHUNCHBVFJCSV-HNNXBMFYSA-N 320.389 2.835 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1(C)C 32268962 BUFJIMXFLQPGNB-ZACQAIPSSA-N 322.493 2.698 0 40 DFAB COc1ccc([C@@H]2COC(=O)C2=N)c(NC(=O)c2ccccc2)c1 4649568 USBKUPNXRBCPNG-AWEZNQCLSA-N 324.336 2.608 0 40 DFAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NC1CC1 2656459 DCOVRDPLTULSEH-UHFFFAOYSA-N 309.365 2.718 0 40 DFAB COc1cc(NC(=O)COc2ccccc2F)cc(OC)c1 7969984 YZUTVIOYARCLOG-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccccc2)c(=O)[nH]1 32841610 ZWMNJASBJACKQQ-ZDUSSCGKSA-N 313.401 2.539 0 40 DFAB COc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1 8474781 FWQBSGICPOTOKM-UHFFFAOYSA-N 313.386 2.755 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@H]1C[C@H]2CC[C@H]1C2 102597923 XNXDJYRGTSBXOO-VPOLOUISSA-N 315.339 2.993 0 40 DFAB FC(F)(F)[C@H]1CCc2nnc(CNCc3ccsc3)n2C1 89885461 UBPTWUQCCCPTQM-JTQLQIEISA-N 316.352 2.754 0 40 DFAB CC[C@H](CNc1nccn(C)c1=O)Oc1ccccc1Cl 79014930 RKJANNNFLVHIGN-LLVKDONJSA-N 307.781 2.703 0 40 DFAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 104694973 HWXBLJQKSJHSIJ-XEZPLFJOSA-N 321.392 2.995 0 40 DFAB C[C@H](C(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O 3070612 NYSKJSLQIMJLIO-GFCCVEGCSA-N 314.385 2.510 0 40 DFAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 54859718 YOVUVPMLCYFFNY-DLBZAZTESA-N 314.429 2.827 0 40 DFAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1 24629431 UIIWUCZNNYEHOZ-SECBINFHSA-N 310.275 2.885 0 40 DFAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(F)cc32)c(C)c1 1320532 OHIMJFNBYCBTCO-SFHVURJKSA-N 313.328 2.855 0 40 DFAB COc1ccnc(CSc2nc3ccsc3c(=O)n2C)c1 106587978 JYJDRPJJBOBKLM-UHFFFAOYSA-N 319.411 2.691 0 40 DFAB CN(CCOc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12 12525310 IVIFVQSGZYUFKQ-UHFFFAOYSA-N 313.332 2.853 0 40 DFAB CC[C@H](CC1CC1)NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 108118995 FFVUJRBGQQVOEY-FMKPAKJESA-N 312.479 2.919 0 40 DFAB Cc1csc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 27974449 RIDMAGIAGVZCTA-VIFPVBQESA-N 306.343 2.586 0 40 DFAB CCn1c(CNC2CCN(CC(F)F)CC2)nc2ccccc21 57977855 TVCIVSKWTCBUAA-UHFFFAOYSA-N 322.403 2.875 0 40 DFAB Cc1cc(CNC(=O)C(=O)c2ccc(C(C)(C)C)cc2)no1 58224714 RLXXMXKLBKLYFN-UHFFFAOYSA-N 300.358 2.780 0 40 DFAB O=C1CCCc2[nH]c(=O)c(C(=O)OC3CCCCCC3)cc21 58289952 ZPBVLPBTYFVJSG-UHFFFAOYSA-N 303.358 2.774 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)o1 44967014 YGDVWCSCVHEAEU-GFCCVEGCSA-N 313.357 2.609 0 40 DFAB c1cnc(-c2nc(CN(C[C@H]3CCOC3)C3CC3)cs2)nc1 44975384 YFDPVBUUMACEPN-GFCCVEGCSA-N 316.430 2.601 0 40 DFAB O=C(NCc1cccc(OC(F)F)c1)[C@H]1Cc2ccccc2O1 58331752 GNSDIXVWPLGEKC-OAHLLOKOSA-N 319.307 2.908 0 40 DFAB c1ccc(-c2cnc(CN3CCC4(CC3)OCCO4)o2)cc1 28077714 LVHNJOJVTQSWTL-UHFFFAOYSA-N 300.358 2.681 0 40 DFAB CC(=O)c1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 12773516 RXBQEFOFEKFJQR-UHFFFAOYSA-N 324.380 2.577 0 40 DFAB Brc1cccc(-c2noc(C3CCNCC3)n2)c1 20268765 JFEDSVPQZUNHIO-UHFFFAOYSA-N 308.179 2.966 0 40 DFAB c1ccc(-n2ccc(CN3CCCC[C@H]3Cn3cncn3)n2)cc1 69740962 HCAWEIFLPZADQH-SFHVURJKSA-N 322.416 2.519 0 40 DFAB c1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)nc1 69772885 BFYXKIPSSAIRFE-UHFFFAOYSA-N 321.384 2.906 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c2ccccc2o1 3443089 BWLUMJMUEVJYDK-UHFFFAOYSA-N 309.277 2.774 0 40 DFAB O=C(NCCCn1ccnc1)c1ccc(-n2cccc2)c(F)c1 69777135 ZVAXQAJXIDVWOA-UHFFFAOYSA-N 312.348 2.633 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)C2)n1 70018010 MYJUOOOTTZEEQG-KZNAEPCWSA-N 324.428 2.862 0 40 DFAB CSc1sc(NC(=O)CNC(=O)CC(C)(C)C)nc1C 69380249 DCRORICSPDWEFV-UHFFFAOYSA-N 315.464 2.664 0 40 DFAB COc1ccc(Cn2nnc(-c3ccc(F)cc3)n2)cc1F 5036824 XYHXRXKTXYJRPS-UHFFFAOYSA-N 302.284 2.675 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCCCC[C@H]2c2cccn2C)n1 65401491 NTVWGWOXGSMSIS-KRWDZBQOSA-N 314.433 2.982 0 40 DFAB Cc1ccc2c(=O)cc(C(=O)NCc3ccncc3)oc2c1C 5349226 IIJSHNCTVCLBMX-UHFFFAOYSA-N 308.337 2.735 0 40 DFAB c1ccc(-c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)cc1 6785746 VZOIQXACQDJRSQ-UHFFFAOYSA-N 308.370 2.732 0 40 DFAB C[C@@H]1Oc2c(C(=O)Nc3cccc(C(N)=O)c3)cccc2[C@@H]1C 8944405 PRDHRFFHUJAYDJ-MNOVXSKESA-N 310.353 2.922 0 40 DFAB CC[C@H](NC(=O)N[C@H](C)Cn1nc(C)cc1C)c1nccs1 76018557 LTSVAXGDOXFZSP-YPMHNXCESA-N 321.450 2.795 0 40 DFAB C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1 90181699 LWCHNLNOIZXILS-ZYHUDNBSSA-N 310.344 2.702 0 40 DFAB Cc1nn(C)cc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 76513004 HFUAJKKPGWQGQZ-CQSZACIVSA-N 301.365 2.572 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(Cl)c1 67619948 STENLDRMZOBQEB-CQSZACIVSA-N 308.809 2.813 0 40 DFAB C[C@H]1COC2(CCN(c3cncc(Br)c3)CC2)O1 78294682 DUNLLNGOUYADKQ-JTQLQIEISA-N 313.195 2.576 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1oc2c(c1C)C(=O)CCC2 68214390 RUTJDJGPQNKLQE-GFCCVEGCSA-N 305.374 2.606 0 40 DFAB Cc1ccc2nc(NC(=O)CNC(=O)C(C)(C)C)sc2c1 9155095 KKZRZLKSUUUEOY-UHFFFAOYSA-N 305.403 2.706 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)ccc1F 9236031 GJVVHJXQSAWZCT-UHFFFAOYSA-N 317.316 2.973 0 40 DFAB Cc1cc(NC(=O)Cn2nnc3ccccc32)n(C2CCCC2)n1 28306347 UAMOGLQQUJMNFS-UHFFFAOYSA-N 324.388 2.690 0 40 DFAB Cc1nc(C)c([C@@H](C)NC(=O)NCc2c(C)noc2C)s1 71826973 RJYMVLBZGJTWLL-SECBINFHSA-N 308.407 2.925 0 40 DFAB C[C@@H](C(=O)NCC1(O)CCC(C(C)(C)C)CC1)n1ccnc1 71898083 LZEFDXWQRFMVEW-CBCUQQMYSA-N 307.438 2.528 0 40 DFAB Cc1cccc(-c2nnc([C@@H](C)NCCn3cc(C)cn3)o2)c1 71872088 MENWFGKTBGIUHI-CQSZACIVSA-N 311.389 2.901 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccco2)c1 71865758 KZTABUJUKOENAK-HNNXBMFYSA-N 301.390 2.798 0 40 DFAB Cc1occc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 97086594 OORIPOQFMANSLN-CQSZACIVSA-N 318.760 2.555 0 40 DFAB NC(=O)c1csc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 97108641 MMPXDATUQSJBOP-CQSZACIVSA-N 320.389 2.639 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@](C)(O)c2cccs2)c1 97143025 CEDMWTCIERWIBJ-HNNXBMFYSA-N 305.403 2.789 0 40 DFAB CN(Cc1ccc([S@](C)=O)cc1)C(=O)Nc1ccncc1F 97135576 IGZLRRQNAPVCPR-JOCHJYFZSA-N 321.377 2.622 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@H](c2ccccc2)C(C)C)on1 72301844 UGEYIMDLDWXCLX-HNNXBMFYSA-N 308.403 2.800 0 40 DFAB OC1CCC(Nc2nc(-c3ccccn3)nc3c2CCC3)CC1 95394634 DRVOQENIBDRXDX-UHFFFAOYSA-N 310.401 2.743 0 40 DFAB CCc1nc(COC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)cs1 95393056 FJXBSOMOZDZLMH-LBPRGKRZSA-N 324.446 2.643 0 40 DFAB CCCOc1ccc(OC(=O)c2c(O)nnc(C)c2C)cc1 95350026 RYHRFBFCMRLWOE-UHFFFAOYSA-N 302.330 2.807 0 40 DFAB CCCc1ccc(NC(=O)CN(C)C(=O)c2ccco2)cc1 22875766 KWOZKHPCHIKNAC-UHFFFAOYSA-N 300.358 2.943 0 40 DFAB COc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(OC)c1 95401137 USUGKJOAGONMQP-UHFFFAOYSA-N 315.325 2.583 0 40 DFAB O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N(CCO)CC1CC1 95405321 WLGXTZUVWPAWFH-MRXNPFEDSA-N 306.381 2.691 0 40 DFAB O=C(Nc1ccccc1N1CCC(CO)CC1)C1=COCCC1 95977734 PQFRUDLJPYGSJK-UHFFFAOYSA-N 316.401 2.528 0 40 DFAB O[C@@H]1CCCC[C@H]1N1CCN(CCSc2ccccc2)CC1 95976590 INCWOQIAXSPPAW-QZTJIDSGSA-N 320.502 2.700 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C1 95969518 LTKBBRGNODKCRM-JTQLQIEISA-N 320.776 2.687 0 40 DFAB Cc1cc([C@@H](C)NC(=O)N(C)C[C@H](O)C2CC2)cc(C)c1F 89587182 CRGSANNAEOLKJM-DOMZBBRYSA-N 308.397 2.916 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCn2ccnc2)s1 89656340 FTKGUCWIOFHQFD-ZIAGYGMSSA-N 303.431 2.905 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](N[C@H](C)CS(C)(=O)=O)CCCO2 89633351 KBCIKVLXZIFMQS-HIFRSBDPSA-N 311.447 2.540 0 40 DFAB CC[C@H](N[C@H](C)c1ccccn1)c1cccc(S(N)(=O)=O)c1 125965121 XSJWYIZAJTUWGP-DOMZBBRYSA-N 319.430 2.531 0 40 DFAB O=C(O)c1c[nH]c2cc3c(cc2c1=Nc1ccccc1)OCO3 31771933 YHBNWHVMOHHZFN-UHFFFAOYSA-N 308.293 2.827 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCOC[C@H]2CC(C)C)cc1 72703389 LYSVOJMDMRMUEG-MRXNPFEDSA-N 304.390 2.532 0 40 DFAB COc1coc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1=O 36358726 NOULUCZROBWZLA-UHFFFAOYSA-N 313.231 2.920 0 40 DFAB C[C@@H](NC(=O)N(C)CC1(c2ccccc2)CC1)[C@H]1CCCO1 187503908 ZCZNATKFZNXBRO-GDBMZVCRSA-N 302.418 2.927 0 40 DFAB CCc1nc([C@H](C)NC(=O)NCc2ccnc(OC)c2)cs1 78924747 ZIUSLPGFHJKGQG-JTQLQIEISA-N 320.418 2.670 0 40 DFAB COc1ccc(-c2noc(CN(C)C(=O)C3CCCC3)n2)cc1 224302710 SWOXLTQIVHTXPX-UHFFFAOYSA-N 315.373 2.894 0 40 DFAB COc1ccc(CC(=O)NCCN(C)c2ccccc2)cc1C 225849875 HDGLSCHSBAKKSB-UHFFFAOYSA-N 312.413 2.799 0 40 DFAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)[C@H](O)c1ccc(F)cc1 195575320 WJDAREFJUUKLNW-BZNIZROVSA-N 323.389 2.763 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc3cccnc13)CC(=O)O2 85879467 PBWPPNUMJPJOPA-ZDUSSCGKSA-N 306.321 2.673 0 40 DFAB biogenic O=C(NC1CC1)c1cccc(C(=O)N[C@@H](C2CCC2)C2CC2)c1 573300638 NXPYNGUSFZZBNK-KRWDZBQOSA-N 312.413 2.887 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N2C(=O)CCCc3ccccc32)no1 227168800 OAULHSSGLYMGPC-LBPRGKRZSA-N 313.357 2.680 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CN1C 96220760 YZSNHHGFWKPQPM-KRWDZBQOSA-N 320.477 2.836 0 40 DFAB Cc1ccc([C@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 91690136 RIZAXCKNCDZIJA-GOSISDBHSA-N 310.397 2.943 0 40 DFAB OC[C@@H]1CCCCC[C@H]1NC1CCN(CCC(F)(F)F)CC1 97236284 KEDSNRCFWQDXGS-DZGCQCFKSA-N 322.415 2.934 0 40 DFAB Cc1cccc(C)c1C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 578126865 UOQYAOZXUSEPHY-GDBMZVCRSA-N 313.401 2.687 0 40 DFAB CC(C)[C@H]1N(S(=O)(=O)c2ccc(N)cc2)CC12CCCC2 578605089 PVPWTSFNHZMHOU-OAHLLOKOSA-N 308.447 2.858 0 40 DFAB Cc1cc(F)cc2[nH]c(C(=O)N(C)CCn3cccn3)cc12 96408464 BRKZDJQEQGKVIH-UHFFFAOYSA-N 300.337 2.584 0 40 DFAB Cc1nnc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)s1 96192932 YNZKTDBDQPUZEM-AWEZNQCLSA-N 320.349 2.507 0 40 DFAB COc1ccc([C@](C)(O)[C@H]2CCCN2CCOC(C)C)cc1 583615531 FGQDJDOSLGLPTJ-MSOLQXFVSA-N 307.434 2.792 0 40 DFAB C[C@H]1CN(C(=O)CCn2ncc3ccc(Cl)cc32)C[C@H](C)O1 96181992 ASJPAEJPORBLGS-RYUDHWBXSA-N 321.808 2.716 0 40 DFAB CC(C)c1cc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)on1 96477712 LGTOOOOVPVTYMH-GFCCVEGCSA-N 312.377 2.625 0 40 DFAB CC1(c2ccccc2)CCC(NC[C@H]2CCS(=O)(=O)C2)CC1 96489358 XBZWBGRXRALZAK-FAEJEUNOSA-N 321.486 2.911 0 40 DFAB Cc1ncsc1CN1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 257307376 SYIRFRMLRMXLMF-IRXDYDNUSA-N 318.442 2.856 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257265859 MAQXFYPFOFRQKG-AWEZNQCLSA-N 309.373 2.582 0 40 DFAB CNC(=O)c1cnc([C@@H]2CCCCN2C(=O)C(C)(C)C)s1 257313696 UTRMYXFMNCVJDM-JTQLQIEISA-N 309.435 2.602 0 40 DFAB O=C(c1csc2c1CCCC2)N1CC[C@H](c2ccn[nH]2)C1 257252562 JVEXOZLTYUOOMT-NSHDSACASA-N 301.415 2.980 0 40 DFAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)CCc1ccccc1 257282311 OTGCIICOKMDFKH-IAGOWNOFSA-N 314.429 2.621 0 40 DFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@H]2N)cc1 252516522 TWJKISVPJIDOMZ-ZACQAIPSSA-N 301.411 2.516 0 40 DFAB CC(C)CC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575406223 MNDPYAVFSSWUDE-MRXNPFEDSA-N 313.401 2.719 0 40 DFAB CCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc(C(C)C)cc2)C1 57865867 NRSDSZJGPDOWPE-ROUUACIJSA-N 318.461 2.692 0 40 DFAB CC(C)(NC(=O)Cn1cncn1)c1c(Cl)cccc1Cl 69510349 QCPMLNSUGRWADJ-UHFFFAOYSA-N 313.188 2.636 0 40 DFAB Cc1cccc(N(CCC(N)=O)Cc2cn3ccccc3n2)c1 69532611 CZEWRVLVQLFVNV-UHFFFAOYSA-N 308.385 2.525 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](n2ccnc2)C1 69699233 MUBUQUOPDDKGQH-OAHLLOKOSA-N 308.385 2.771 0 40 DFAB O=C(NCc1ccccc1OCCO)Nc1ccc(F)c(F)c1 76021393 SSJMFNQMZJYSQP-UHFFFAOYSA-N 322.311 2.658 0 40 DFAB Cc1cc(N2CCC(O)(c3ccccc3F)CC2)nc(C)n1 12114020 OTKCGNUSTDIUSR-UHFFFAOYSA-N 301.365 2.721 0 40 DFAB Oc1ccc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)cc2)cc1 13378189 GZVIQGVWSNEONZ-OALUTQOASA-N 316.397 2.775 0 40 DFAB biogenic,in-vitro C[C@@H](C(=O)N[C@H](c1ccncc1)c1cccs1)n1ccnc1 19079779 LUUILBGADXEILX-SWLSCSKDSA-N 312.398 2.806 0 40 DFAB Cc1ccc(CN(CCCN2CCOCC2)Cc2ccoc2)o1 19216448 UNWNKRRRKZMOIC-UHFFFAOYSA-N 318.417 2.906 0 40 DFAB CCCN1CCCc2cc(CCNC(=O)COCC)ccc21 35588087 BYFWJTBVEGQMEJ-UHFFFAOYSA-N 304.434 2.544 0 40 DFAB C[C@H](Sc1ncn[nH]1)C(=O)Nc1ccc(F)c(Cl)c1 10028286 XDRXHSMVHMAXIP-LURJTMIESA-N 300.746 2.717 0 40 DFAB Clc1ccc2oc(=N[C@@H]3CCN(C4CCOCC4)C3)[nH]c2c1 1889098657 HSBBQKHUOAUTJK-GFCCVEGCSA-N 321.808 2.568 0 40 DFAB O=C(CCC(=O)c1cccs1)NC[C@@H]1Cc2ccccc2O1 40510002 JMHBBHGOWNLFQY-ZDUSSCGKSA-N 315.394 2.831 0 40 DFAB O=C(CSc1nnc(NC(=O)C2CC2)s1)c1ccccc1 4079398 AKEIPVNLLXCFNT-UHFFFAOYSA-N 319.411 2.862 0 40 DFAB C[C@H](CC(=O)N1CC[C@@H](C)[C@H](O)C1)C(=O)c1ccc(Cl)cc1 96495252 JDKRPVOOTTYZIW-LALPHHSUSA-N 323.820 2.778 0 40 DFAB CCC(CC)[C@@H](CNC(=O)c1cc(C)oc1C)N1CCOCC1 36692925 WAGREZMNMYRRFC-QGZVFWFLSA-N 322.449 2.763 0 40 DFAB O=c1[nH]c(SCc2nccn2C(F)F)nc2sccc12 40498070 UXLFFDDFLJYUSQ-UHFFFAOYSA-N 314.342 2.869 0 40 DFAB CCCC(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1 558315 KXBWEQAFNVXYLW-UHFFFAOYSA-N 301.375 2.900 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)NCc1ccccc1Cl 2617671 RYEMNSFHDOKGJX-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB O=C(NCCCCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 3149171 KOYFQSLTABANRV-QZWWFDLISA-N 313.397 2.648 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1 2647794 WNVSIBPLGGXOMW-WCQYABFASA-N 310.394 2.835 0 40 DFAB COc1ccccc1[C@H]1C=C(c2cccnc2)Nc2ncnn21 101675320 MGJBPDAMYUTINF-OAHLLOKOSA-N 305.341 2.738 0 40 DFAB O=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 3851073 ZRKSWGCVKDMOPF-UHFFFAOYSA-N 315.394 2.848 0 40 DFAB biogenic COC(=O)c1cccc(NC(=O)Cc2noc3ccccc23)c1 385432 BWYWKIAUEVIIBJ-UHFFFAOYSA-N 310.309 2.796 0 40 DFAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101842012 ROKAYVIDCVEIDW-WNRNVDISSA-N 324.424 2.506 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc3ncccc23)[C@H]2C=C[C@H]1C2 102048048 UIFCFMBQXBIEAS-GREKMHCPSA-N 308.337 2.696 0 40 DFAB CCOc1cc(C)c(/C=C(/C#N)C(=O)NC(N)=O)cc1C(C)C 6958307 HFSRIHWAWNWLKJ-QPEQYQDCSA-N 315.373 2.619 0 40 DFAB CCNc1nnc(SCC(=O)N[C@H](C)c2ccccc2)s1 7246139 IPTDDJWXOVHPGS-SNVBAGLBSA-N 322.459 2.939 0 40 DFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccs2)c1 7533770 WKPVSCQOSLNERL-SNVBAGLBSA-N 305.355 2.941 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)c1ccc(F)cc1 32900827 MEBCMUBZSKCFMY-MRXNPFEDSA-N 317.360 2.762 0 40 DFAB O=C(O)[C@H](Sc1nc(O)c2c(n1)CCCC2)c1ccccc1 12176684 CKWHPTRABNAVAE-CYBMUJFWSA-N 316.382 2.979 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2c(C)[nH]c3ccccc23)no1 9417868 GMHAHXWBNBLUBZ-UHFFFAOYSA-N 313.313 2.568 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2cc(C)nn2C)cc1OC 47148475 RKXDZANOJNUAQO-NSHDSACASA-N 318.377 2.628 0 40 DFAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc2[nH]ccc2c1 61719004 OEHGEMPKTZNCIN-UHFFFAOYSA-N 321.336 2.532 0 40 DFAB C[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccncc1 25055153 FFBJIVHEUYQSHM-QMMMGPOBSA-N 308.267 2.711 0 40 DFAB Cn1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)n1 25076793 WEXDKSZVHDVTJM-UHFFFAOYSA-N 301.737 2.716 0 40 DFAB O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 107497996 VIARZJAMFLUZOB-YESZJQIVSA-N 320.477 2.574 0 40 DFAB CCOc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1O 3212152 CQDFIJDPEVAZDP-JLHYYAGUSA-N 300.358 2.947 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCc3nc(C)cn3C2)C1(C)C 106903236 LOOKUSHLMQLVHT-FMKPAKJESA-N 301.434 2.861 0 40 DFAB COc1cccc(-n2nnc(C(=O)N(C)[C@@H](C)C(C)C)c2C)c1 27231334 XDTWOTMEVUJNRE-LBPRGKRZSA-N 316.405 2.701 0 40 DFAB COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)CC2=O 2030111 QZJVBGCZOLNWHW-AWEZNQCLSA-N 316.309 2.822 0 40 DFAB biogenic,in-vitro CC[C@H](C)[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O 12662882 NWBIIQOQPPPDLF-NHYWBVRUSA-N 317.389 2.509 0 40 DFAB biogenic Cn1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 61717451 AXYLZXSRAVLXAF-UHFFFAOYSA-N 324.365 2.500 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCC1(c2ccccc2)CCC1 44894660 GAVLNFOVLPGWNF-UHFFFAOYSA-N 311.429 2.818 0 40 DFAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cnn(C)c1 44869867 GUYLQIPHKAVMDY-BQYQJAHWSA-N 312.398 2.702 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H]1c1cccs1 44969772 XCMGQZLCYLWLHZ-CHWSQXEVSA-N 304.419 2.880 0 40 DFAB Cn1c(NS(=O)(=O)c2ccc(F)cc2)nc2ccccc21 27924026 INZOQTWNDHYDFP-UHFFFAOYSA-N 305.334 2.513 0 40 DFAB O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc2ccccc2n1 44944187 VPJBVXXENPFSDI-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 3361248 MGMNDTRGFGIAGU-STQMWFEESA-N 303.402 2.965 0 40 DFAB C[C@@H]1C(C(=O)O)=NO[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl 64220229 CHXMPJORIWTSSV-MOFOKWOHSA-N 323.658 2.599 0 40 DFAB O=C(Nc1ccc(-n2nccn2)cc1)C1=Cc2ccccc2OC1 58417112 BYGRPIRSOFSDQC-UHFFFAOYSA-N 318.336 2.682 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1F 29510462 GYAQKDSACHQGOV-TZMCWYRMSA-N 318.392 2.746 0 40 DFAB Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1Cc1ccco1 48264605 NKXDRJGHWDDKOO-CQSZACIVSA-N 302.374 2.655 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N(Cc1cccs1)C1CC1 48286844 IOJDJXDXHRRFEU-GFCCVEGCSA-N 304.419 2.707 0 40 DFAB Cc1nn(C)c2ncc(CN[C@@H]3CCOc4ccccc43)cc12 48353686 QVWDMEHKRKSPJV-MRXNPFEDSA-N 308.385 2.890 0 40 DFAB O=C(COc1ccccc1C(=O)O)NCc1cccc(Cl)c1 13080317 LDVJIGWYSDBULU-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 48978434 RNHAMIGTFHDOAP-HNNXBMFYSA-N 300.402 2.688 0 40 DFAB Cc1ccc(NCCNC(=O)c2cc(C)n(C(C)C)c2C)nn1 69776906 OTMNYVIAUFHRKI-UHFFFAOYSA-N 315.421 2.626 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NCC[C@@H](C)c1ccccc1 69561211 CDBRMDJBQBZKRM-HUUCEWRRSA-N 300.406 2.765 0 40 DFAB O=C(C[C@@H]1SC(=O)NC1=O)Nc1cc(Cl)ccc1Cl 26533077 RVBLTMQGBAVDSE-QMMMGPOBSA-N 319.169 2.674 0 40 DFAB C[C@H](NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccccc1 69704817 RVTHBWUQULFAMG-NSHDSACASA-N 301.321 2.974 0 40 DFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCOCC1 6314751 IAHPSYKZWCBCEF-UHFFFAOYSA-N 311.447 2.622 0 40 DFAB CC(C)[C@@H](NC(=O)NCCNc1cnccn1)c1cccs1 65440495 OSCIIETWRQPYSI-CQSZACIVSA-N 319.434 2.647 0 40 DFAB C[C@H]1CCCCN1C(=O)NCC[S@](=O)Cc1ccccc1 69949005 DLEAQESHZNNUQM-LHSJRXKWSA-N 308.447 2.519 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786929 QPTACIQWLUAKRN-UHFFFAOYSA-N 319.382 2.871 0 40 DFAB CS(=O)(=O)NCc1ccc(CN2CCCCCCC2)cc1 66902712 XJKIASSODQQJSF-UHFFFAOYSA-N 310.463 2.502 0 40 DFAB CC[C@H](C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1OC 70982757 BBRLADSNTKUMDP-HZMBPMFUSA-N 303.362 2.638 0 40 DFAB C[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 7358699 NVDBZGAUBJFDNV-HNNXBMFYSA-N 301.434 2.957 0 40 DFAB O=C(COC(=O)C1(c2ccccc2)CC1)NCc1cccs1 7489495 LBXUZIRBNBWFFX-UHFFFAOYSA-N 315.394 2.639 0 40 DFAB COC(=O)c1cccc(NC(=O)Cc2ccc(OC)c(F)c2)c1 9049092 TZVREUDZLBTDJH-UHFFFAOYSA-N 317.316 2.802 0 40 DFAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1F 8071642 VBZUUYOCZOXHJM-UHFFFAOYSA-N 314.316 2.580 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCCc1cccnc1 83698717 GWFFOTHCIQLRNO-OAHLLOKOSA-N 324.428 2.674 0 40 DFAB CCn1cc(CN2CCC[C@H](C(=O)NC3CCCCC3)C2)cn1 96490006 KIDZDNBHUHSVCK-INIZCTEOSA-N 318.465 2.564 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2s1 71834773 CAVSHCXJQCUHPC-OAHLLOKOSA-N 323.421 2.709 0 40 DFAB CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 71839196 JYSYMQNXAGAPHV-APHBMKBZSA-N 313.401 2.662 0 40 DFAB CCc1noc2ncc(C(=O)O[C@H](CC(C)C)C(=O)OC)cc12 71913710 TVGNLOKDXWEYSJ-CYBMUJFWSA-N 320.345 2.530 0 40 DFAB CCC(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71902987 UAGZZVQGTKBXHP-AWEZNQCLSA-N 300.324 2.844 0 40 DFAB COc1cccc(/C=C\C(=O)Nc2ccn(C)n2)c1OC(F)F 96920361 HZRKBEOWVGYQGU-SREVYHEPSA-N 323.299 2.682 0 40 DFAB Cc1cc(OCC(=O)N2CCCC[C@@H]2c2nccs2)no1 72285817 MQLOHHZRYCYQEY-LLVKDONJSA-N 307.375 2.572 0 40 DFAB Cc1ccc(SCCN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 97014473 NDGRITSVRZFZGP-CVEARBPZSA-N 304.459 2.830 0 40 DFAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N[C@H](CO)c1ccccc1 97048204 BDTBFQUWLQJFPV-RCCFBDPRSA-N 310.397 2.823 0 40 DFAB CCn1cc(NC(=O)N[C@H]2C[C@H](OC)C2(CC)CC)ccc1=O 89948149 UCUHWPHBRVXIHN-KBPBESRZSA-N 321.421 2.583 0 40 DFAB Cc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccccc2)C1 97111860 BFGHGTVCWONMKA-MRXNPFEDSA-N 314.385 2.765 0 40 DFAB CC(C)n1nc(CC(=O)Nc2cccnc2)c2ccccc2c1=O 72401079 PPXSRWUGYHMGHO-UHFFFAOYSA-N 322.368 2.554 0 40 DFAB c1ccc2c(c1)OC[C@@H](c1nnc(SC[C@H]3CCCO3)o1)O2 84583208 HXIPNJKTCBBIGE-MFKMUULPSA-N 320.370 2.853 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CSCc1nc(C(C)(C)C)no1 95459442 RNCRUHINVSGMMC-UHFFFAOYSA-N 323.422 2.579 0 40 DFAB Cc1c(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cnn1C 95463570 ZCTURFZUAQMTOD-HOTGVXAUSA-N 307.344 2.627 0 40 DFAB OC[C@@H]1CCCCC[C@H]1Nc1nnc(-c2ccccn2)s1 95940432 LFJPNEMZVSBVPS-NWDGAFQWSA-N 304.419 2.953 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C2 95964933 MNJNEPUAUPMDIG-APNQJHFZSA-N 308.422 2.535 0 40 DFAB COC(=O)CN(C(=O)c1ccc(Cl)o1)c1cccc(F)c1 89400911 HHPOQLYRIZDLPN-UHFFFAOYSA-N 311.696 2.892 0 40 DFAB O=C(NCCn1c(=O)oc2ccccc21)c1cc2ccccc2[nH]1 75134160 WEKPTTBTSWXUEJ-UHFFFAOYSA-N 321.336 2.506 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 24259942 ZRAWGGARGHRXJF-UHFFFAOYSA-N 323.414 2.642 0 40 DFAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C)CC1 20492649 SNIWXDBHTAVCTH-KRWDZBQOSA-N 312.413 2.771 0 40 DFAB CN(C)[C@H](CNC(=O)c1cccnc1Cl)c1cccs1 33026557 VFAQRLSDPMQRHM-LLVKDONJSA-N 309.822 2.829 0 40 DFAB O=C(Cn1ccc2ccccc21)NCCOc1ccc(F)cc1 38488814 LEPTYOVRTXZWCK-UHFFFAOYSA-N 312.344 2.976 0 40 DFAB C[C@@H](CC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)c1cccnc1 548668025 SDHIHYQVHDAUMQ-QANKJYHBSA-N 311.385 2.617 0 40 DFAB C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 77690504 ASBGRNKHFAQQDE-UWVGGRQHSA-N 315.364 2.559 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1ccccc1F)CC(C)C 31705071 GDJPLYPMLFBDRN-CQSZACIVSA-N 324.396 2.645 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1F 30322882 PCPLAUGXROOCEX-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB COC(=O)[C@H]1[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 33801083 UTKGFRQTYAYXFH-UONOGXRCSA-N 305.374 2.953 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1cccc([S@](C)=O)c1 77204042 ZNSJRSBJWUPDES-RCDICMHDSA-N 324.446 2.703 0 40 DFAB Cc1nc(Cl)cc(N[C@@H](Cn2cncn2)c2ccccc2)n1 78334054 KOTVUNMVNBJTJE-ZDUSSCGKSA-N 314.780 2.883 0 40 DFAB CC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)N2CCOCC2)CC1 195575759 CYWPNVHLTHTULL-FUHWJXTLSA-N 320.477 2.550 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCC[C@H]2CCCO2)o1 96503257 SHSBBEGRHVFMJF-UKRRQHHQSA-N 322.405 2.842 0 40 DFAB COc1ccc(Cn2cnc(I)c2)cc1 141145785 XKQRVFRRNUAVJI-UHFFFAOYSA-N 314.126 2.545 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(Br)c(F)c1 96435445 UBYGXDMFTMZEQW-SSDOTTSWSA-N 305.147 2.745 0 40 DFAB OC[C@H](CNc1ccc(Br)cn1)Cc1ccccn1 96455817 BAYKMORDKHCVEB-NSHDSACASA-N 322.206 2.502 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@H]12 96058423 NOKAQFBQZOHOFQ-PMACEKPBSA-N 307.441 2.929 0 40 DFAB COc1ccc(-c2noc(-c3nc(-c4ccccn4)no3)n2)cc1 98212358 YXGMISRRIINLAH-UHFFFAOYSA-N 321.296 2.857 0 40 DFAB OCc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)o1 95448953 FYKRZBPHICJWSG-NSHDSACASA-N 324.783 2.933 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 242798845 FCTKOLNYWZQHKV-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB CC[C@](O)(C(=O)N1CCc2cnccc21)c1cccc(Cl)c1 252500568 SXWSRQKJCXPCMG-QGZVFWFLSA-N 316.788 2.922 0 40 DFAB Cc1ccc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257278138 OAYWEBXSSQLWGY-INIZCTEOSA-N 324.428 2.789 0 40 DFAB CC(C)(C)OC(=O)CCSCC(=O)Nc1ccccc1O 252494111 NLDFTIXPUXHNRX-UHFFFAOYSA-N 311.403 2.796 0 40 DFAB O=C(c1cccnc1)N1C[C@H]2CC[C@H](Cc3ccccn3)[C@H]2C1 257249864 JKAUHWJEAYGWMH-QGPMSJSTSA-N 307.397 2.818 0 40 DFAB C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(Cl)cn1C 263045296 WBRJEQVEALZZRW-NSHDSACASA-N 320.776 2.794 0 40 DFAB Cc1ccc2oc(C(=O)NC[C@H](O)CCc3ccccc3)cc2n1 273108721 AREASTDWJCFCLI-OAHLLOKOSA-N 324.380 2.860 0 40 DFAB Cc1sc2ncnc(N3CCC[C@@H](n4cncn4)C3)c2c1C 69697520 GVCRAKFCTPNOND-GFCCVEGCSA-N 314.418 2.741 0 40 DFAB O=C(NC[C@@H]1CCCO1)N1CCO[C@H](c2ccccc2Cl)C1 69774852 QXBXGKIZMYBAEK-WFASDCNBSA-N 324.808 2.602 0 40 DFAB CCN(Cc1ccoc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 72551849 OALMUNHYOHRUDH-HNNXBMFYSA-N 318.377 2.709 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@H](O)c1cccc(Cl)c1 73757317 AGYIRNBBGOGACE-AWEZNQCLSA-N 301.729 2.670 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)s1 75415744 JQDGCQRPWVUGJV-SCZZXKLOSA-N 308.325 2.976 0 40 DFAB O=S1(=O)CCC[C@@H]1CN[C@@H]1CCSc2ccc(F)cc21 90468515 VFEUDSOUUXCQCY-DGCLKSJQSA-N 315.435 2.529 0 40 DFAB Cc1nc(CNC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)sc1C 96455157 CRMJYUVBORXWIX-GXTWGEPZSA-N 311.451 2.620 0 40 DFAB COc1cc2c(cc1OC)CN(c1cc(C3CC3)ncn1)CC2 641255904 KXLWKEWSIBBBIS-UHFFFAOYSA-N 311.385 2.934 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccc(F)c2)C1=O 1164070 OIAIOWKCCCABOI-RILYUOAZSA-N 323.345 2.814 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2nc3ccccc3[nH]2)c(C)c1 5214519 SRNFXQQAMPSSNF-UHFFFAOYSA-N 302.355 2.947 0 40 DFAB CCc1ccc2c(c1)cc(CNCc1ccco1)c1nnnn12 13998115 FBVCCZAXKPKDJQ-UHFFFAOYSA-N 307.357 2.723 0 40 DFAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 16130171 ZZXWCRSBGGMDON-UHFFFAOYSA-N 319.382 2.821 0 40 DFAB CNc1nc(Nc2ccc(OC)c(Cl)c2)c2cnn(C)c2n1 16917014 BTGIBBKNIWMUSC-UHFFFAOYSA-N 318.768 2.811 0 40 DFAB Cc1nn(CCC(=O)N[C@H](C)Cc2ccccn2)c(C)c1Cl 19578232 XAVUWYIQUPOXFF-LLVKDONJSA-N 320.824 2.686 0 40 DFAB CC(=O)N[C@H]1CCO[C@@H](c2ccc(NC(=O)C(C)C)cc2)C1 19712076 DPKSECSWHHNSPQ-JKSUJKDBSA-N 304.390 2.637 0 40 DFAB O=C(COc1ccc(Cl)cc1)N1CC[C@@H](OCC2CC2)C1 390830451 LFFKQBSJJXHJLA-OAHLLOKOSA-N 309.793 2.746 0 40 DFAB Cc1ccc(F)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7970705 SZQUYEBIYNWUTN-SWLSCSKDSA-N 308.378 2.527 0 40 DFAB Cc1ccn2cc(C(=O)Nc3cccc(-c4nnco4)c3)nc2c1 24737491 DKHCMROEGLSZTI-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB COc1ccc(N[C@H](C)C(=O)NCc2cccs2)c(OC)c1 28795718 PIHHQZFQDXFBNF-LLVKDONJSA-N 320.414 2.882 0 40 DFAB CSC1=NCCN1C(=O)COc1ccc2ccccc2c1 4119750 XMLCIQQAPYVSOT-UHFFFAOYSA-N 300.383 2.780 0 40 DFAB CCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 5026056 IRHKVEQLGNPGCY-ZRDIBKRKSA-N 322.386 2.563 0 40 DFAB CC(C)c1noc(CCC(=O)N[C@H]2CCOc3ccccc32)n1 31578674 DIGPAHWNZOEVLY-ZDUSSCGKSA-N 315.373 2.766 0 40 DFAB COc1ccc(CN(C)C(=O)Nn2cnc3ccccc32)cc1 28936880 CROYXGLOZVITBJ-UHFFFAOYSA-N 310.357 2.840 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91758105 DUKAPNGBYQAKIR-IAQYHMDHSA-N 306.312 2.549 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 373523 UBEBZERIJIEYCI-UHFFFAOYSA-N 306.268 2.639 0 40 DFAB CCCCN1C(=O)S[C@@H](Cc2ccc3c(c2)OCO3)C1=O 6647659 QESHVSJVXZWIQT-ZDUSSCGKSA-N 307.371 2.822 0 40 DFAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 21892942 SQOYKRRJZQZDLD-CQSZACIVSA-N 308.337 2.954 0 40 DFAB Cc1noc(C)c1COC(=O)[C@@H](c1ccccc1)n1cccn1 71831215 SDIYQXIBRBEVJM-MRXNPFEDSA-N 311.341 2.821 0 40 DFAB COC[C@@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245542 QKKMJLDLMILWAM-LLVKDONJSA-N 319.430 2.984 0 40 DFAB O=C(Cc1ccc(F)cc1F)NC1(C(F)(F)F)CCOCC1 104369737 WMAULTYWSPWHEX-UHFFFAOYSA-N 323.261 2.735 0 40 DFAB O=C(/C=C/c1ccccn1)NCCc1nc2c(s1)CCCC2 69778351 YPKRQRYXLOUVEF-CMDGGOBGSA-N 313.426 2.789 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 42513711 VMYMLVLUUJKSBR-NSHDSACASA-N 317.776 2.517 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 59227311 KXDUPEMVQSWDGX-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccon1 28227333 IOEHUAUUYLMILR-MRVPVSSYSA-N 311.135 2.843 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@@H]1C[C@H]2CC[C@H]1C2 102597898 KFEUWXIJZMHHPO-NAKRPEOUSA-N 315.339 2.993 0 40 DFAB COC(=O)CCCN(C)C(=O)c1cc(Cl)cc2cccnc12 55112493 OJWNSBBFMXUOCE-UHFFFAOYSA-N 320.776 2.913 0 40 DFAB COC(=O)[C@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1 24929514 PGDVSIBWOZKSNN-QGZVFWFLSA-N 323.392 2.983 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCCCNc2ccccn2)o1 43721160 QZYVEJLEGZQIQI-CYBMUJFWSA-N 302.378 2.845 0 40 DFAB COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 3218598 RJHSVJAESYTWBM-LLVKDONJSA-N 302.157 2.771 0 40 DFAB CCC(O)(CC)CNC(=O)c1ccc(OC)c(OC(F)F)c1 71924180 MERCZOGWGDTILX-UHFFFAOYSA-N 317.332 2.578 0 40 DFAB CC[C@H](C)n1c(SCCC(N)=O)nnc1-c1ccccc1 58191986 ILEDSHILQNDTMU-NSHDSACASA-N 304.419 2.884 0 40 DFAB CC(=O)Nc1cc(C(=O)OCc2csc(C)n2)ccc1F 58173308 ZHCHMSJDLXPBQW-UHFFFAOYSA-N 308.334 2.906 0 40 DFAB Cc1cc(S[C@@H](C)c2nnnn2-c2ccccc2)nc(C)n1 44966004 PTHJUCXMXGJZIW-NSHDSACASA-N 312.402 2.922 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccncc2)c1 58311218 NFEOWCBGBQCODX-OCCSQVGLSA-N 312.369 2.929 0 40 DFAB CCNC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 3397395 ALHXSPGBNQLVHM-GQCTYLIASA-N 302.157 2.686 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)CCN1C(=O)CCC1=O 21587347 ASYUAHSNAXOTQO-UHFFFAOYSA-N 302.374 2.596 0 40 DFAB Cc1cc(N2CCC(Cc3ccccc3)CC2)n2ncnc2n1 12749391 QVUASLJDFUHVPI-UHFFFAOYSA-N 307.401 2.892 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1C 3443195 CXQGBBHADQZQAQ-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB CCCn1c(SCCOc2ccc(Cl)cc2)n[nH]c1=O 3534594 DDRCGRRDOMPDHS-UHFFFAOYSA-N 313.810 2.806 0 40 DFAB CC(C)c1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)nc(C(C)C)n1 89939183 RMOJQTLLOGNZTJ-HUUCEWRRSA-N 320.481 2.615 0 40 DFAB CCOC[C@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 89986700 NMJFMDQMZRLKIA-SMDDNHRTSA-N 311.472 2.964 0 40 DFAB O=C(O)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 19822340 UCBVVVWBTCPQKJ-UHFFFAOYSA-N 310.397 2.703 0 40 DFAB COCC1(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)CCC1 65374559 KNVLCWGYVAKQET-OAHLLOKOSA-N 323.458 2.837 0 40 DFAB CCC(CC)NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 14198390 FDYQGOSNTVRUGB-INIZCTEOSA-N 304.415 2.920 0 40 DFAB COc1cc(CNC(=O)C2(C)CCOCC2)c2ccccc2n1 96425932 IITSZKRTOQXWDE-UHFFFAOYSA-N 314.385 2.676 0 40 DFAB Cc1cc(C(=O)NCCC(=O)Nc2cccnc2)c(C)s1 66099186 FXGAZBSQTFNEQR-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)nc1 66797829 ANLFOAGBZSNXIS-UHFFFAOYSA-N 309.369 2.920 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccsc2)c1 67010452 LOIIZNOYSHOYBF-LLVKDONJSA-N 310.444 2.507 0 40 DFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccccc1 7115478 OFJRMFUXHAHMPA-CQSZACIVSA-N 323.396 2.887 0 40 DFAB CC(C)(CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 96010713 NQVXKZGWBBRZLY-UHFFFAOYSA-N 305.403 2.626 0 40 DFAB O=C(Nc1ccnn1Cc1ccccc1Cl)[C@@H]1CCCO1 9592047 OSRRADLKUJQPPU-ZDUSSCGKSA-N 305.765 2.702 0 40 DFAB Cc1cccn2cc(CCNc3nc4ccccc4c(=O)[nH]3)nc12 80676066 IPXGWALERUFYPV-UHFFFAOYSA-N 319.368 2.534 0 40 DFAB O=C(CCNC(=O)c1c(F)cccc1Cl)Nc1cccnc1 68127430 HJQWDIQEADWAHC-UHFFFAOYSA-N 321.739 2.633 0 40 DFAB Cc1ccoc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 16416421 QCIXRRDCDICCIJ-CYBMUJFWSA-N 313.353 2.718 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc4[nH]ccc4c3)cnc2s1 91033269 DOTILKXCFKYRJQ-UHFFFAOYSA-N 324.365 2.798 0 40 DFAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1C1CC1 69055663 XYJIDUODVTWAEI-SFHVURJKSA-N 305.337 2.522 0 40 DFAB C[C@@H]1C[C@H](Sc2nc(C3CC3)n(-c3ccccc3)n2)C(=O)O1 8230462 VTAADRHYAMLIIS-MFKMUULPSA-N 315.398 2.941 0 40 DFAB COc1cccc(CO[C@H](C)C(=O)Nc2ccc(Cl)nn2)c1 79040342 PKUGBCUJWFSYRD-SNVBAGLBSA-N 321.764 2.682 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N(C(C)C)C1CC1 84064793 BWOHTWKMQRPGHR-UHFFFAOYSA-N 302.403 2.922 0 40 DFAB CCc1ncc(CN(C)c2ccc(-n3ccc(C)n3)nn2)s1 77965796 DYNLTXFKNBFPIB-UHFFFAOYSA-N 314.418 2.626 0 40 DFAB C[C@H](OC(=O)c1ccncc1F)c1cn(-c2ccccc2)nn1 97100947 AIXLQYARDODPPT-NSHDSACASA-N 312.304 2.719 0 40 DFAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)CO 97202521 QHPHESYWSCUPRD-JTQLQIEISA-N 320.414 2.694 0 40 DFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97202750 NVSCMTXYWSUJNM-SFHVURJKSA-N 324.428 2.609 0 40 DFAB Cc1ccc(NC2CCN(Cc3cc(=O)c(O)co3)CC2)cc1 95398983 LGXXTVYDUNDMKC-UHFFFAOYSA-N 314.385 2.730 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 95436907 QTEOIQNJEGAKKV-LLVKDONJSA-N 316.405 2.505 0 40 DFAB CN1C(=O)CCN(Cc2cnc3ccccn23)c2ccccc21 95413176 RZESABSDNRPHQG-UHFFFAOYSA-N 306.369 2.707 0 40 DFAB OCc1ccncc1NCc1cc(O)ccc1Br 95448722 QSICVTTTWYAABM-UHFFFAOYSA-N 309.163 2.654 0 40 DFAB CCCc1cc(NS(=O)(=O)c2cccc3cnccc23)n[nH]1 95416377 QLESPGJWZAZXMB-UHFFFAOYSA-N 316.386 2.711 0 40 DFAB COc1ccc(CNC[C@H]2CCO[C@H](C)C2)c(OC)c1OC 95457713 GQWRTRONYIBVOA-OLZOCXBDSA-N 309.406 2.617 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)N(CC(C)(C)O)C(C)C 95434882 VABQRCPVUMYKRS-ZDUSSCGKSA-N 308.422 2.947 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(N(C)C)cn1 84971593 AFAYJVIKAASXMM-LLVKDONJSA-N 302.403 2.662 0 40 DFAB Cc1cccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(=O)[nH]c12 79189938 OINQOHJIBRAJMX-UHFFFAOYSA-N 323.440 2.883 0 40 DFAB biogenic Cc1nc(C(=O)NC2CC=CC2)nn1-c1ccccc1Cl 79106924 BYYSNJIWNIFYJI-UHFFFAOYSA-N 302.765 2.678 0 40 DFAB Cc1nc(COc2ccccc2C(=O)N[C@@H]2CC=CCC2)no1 95960439 NDNFGRGXWKHXGR-CYBMUJFWSA-N 313.357 2.796 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCc3cnccc32)n1 95960448 IBPQNEIBSFTPOW-UHFFFAOYSA-N 302.765 2.851 0 40 DFAB COc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)cc1O 95963710 YNHBHHZUFIFFNQ-TZMCWYRMSA-N 301.317 2.826 0 40 DFAB CCn1c(C)nnc1COC(=O)c1cccc(C(F)(F)F)c1 89300564 FSYMGIRHBYZSLC-UHFFFAOYSA-N 313.279 2.982 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)OCCNc1cccnn1 75104060 HCJDZIDHMKXDQZ-CYBMUJFWSA-N 317.414 2.754 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(C)o1 408562301 OTFSJXBAJCCAIX-UHFFFAOYSA-N 322.748 2.619 0 40 DFAB Cc1cc(CC(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)on1 553196867 IAABSVJZWCCRDN-UHFFFAOYSA-N 300.318 2.764 0 40 DFAB Cc1ccc(C)c(OCC(=O)NCCN(C)c2ccccc2)c1 218951054 NUGXQRLUIKKVCR-UHFFFAOYSA-N 312.413 2.935 0 40 DFAB COc1ccc2nc(CN3C[C@@H]4CCCN4C[C@H]3C)ccc2c1 72324682 DRNXFUKSMYPUDH-PBHICJAKSA-N 311.429 2.912 0 40 DFAB CC(=O)N(c1nc(COc2ccc(C)cn2)cs1)C1CC1 75077043 UKYWMGOJIKGVBT-UHFFFAOYSA-N 303.387 2.941 0 40 DFAB O=C(c1cccnc1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 72351216 HMTZSZNRRYIVLJ-HNNXBMFYSA-N 306.369 2.978 0 40 DFAB CCC(=O)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 72362215 CVBZUICTNUMOKO-ZDUSSCGKSA-N 311.389 2.731 0 40 DFAB Fc1cccc(CN2CCC[C@H](c3n[nH]c4nccnc34)C2)c1 72393820 ZYKBNZHVIOHFOH-ZDUSSCGKSA-N 311.364 2.872 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]([C@](C)(O)C(F)(F)F)COC1(C)C 72208812 LMDJIELGQVMKHL-UFBFGSQYSA-N 313.316 2.672 0 40 DFAB Cc1ccc(CCNC(=O)c2cc(C)nc(N3CCCC3)n2)cc1 72239871 NBPWWFTWRGFJAP-UHFFFAOYSA-N 324.428 2.666 0 40 DFAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1COCCN1 88358923 YGTQQEQGLCDZIU-HNNXBMFYSA-N 306.431 2.648 0 40 DFAB CCc1onc(C)c1C(=O)NCc1nccn1Cc1ccccc1 195567493 XVJSSBMZTJAVER-UHFFFAOYSA-N 324.384 2.720 0 40 DFAB COc1ncc(C(F)(F)F)cc1I 47212319 XCBBXFZOEXBZEJ-UHFFFAOYSA-N 303.021 2.714 0 40 DFAB COC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1 225433212 JDPWOOAMXVRQIJ-UHFFFAOYSA-N 302.330 2.816 0 40 DFAB COc1cccc(OCC(=O)NCCOc2ccc(C)cc2)c1 47346424 TYYNLFHCRBJEST-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1F 195450590 FDVMRSGTDOEGAX-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB COc1ccccc1NC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 60561008 ZYRZKUVTLIKQBR-UHFFFAOYSA-N 323.352 2.735 0 40 DFAB CCOc1ncccc1NC(=O)c1ccc(-n2cccc2)nc1 84526199 PENAMAQLOIQTRM-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB O=C1CN(c2ccccc2)C(=O)N1Cc1nc2ccccc2o1 96465949 QLYTZAQQLCQFBW-UHFFFAOYSA-N 307.309 2.797 0 40 DFAB CC(=O)c1cc(Br)ccc1NCc1nccn1C 97371505 KXMXUOPLJSHZHH-UHFFFAOYSA-N 308.179 2.997 0 40 DFAB C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnc2ccsc2c1 532331396 OLTHBCCDWVVPTH-HZMBPMFUSA-N 301.415 2.509 0 40 DFAB c1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2)C3)cc1 96112891 ZPVFZOHWCCTSEL-KRWDZBQOSA-N 320.396 2.634 0 40 DFAB biogenic,in-vitro CN1C(=O)CN(C(=O)[C@@H]2CSc3ccccc32)c2ccccc21 96450783 LMKHNUHUZPZIMR-CYBMUJFWSA-N 324.405 2.886 0 40 DFAB C[C@H](CCO)NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 96415778 CZYOHYJIEGKNLG-SECBINFHSA-N 319.327 2.664 0 40 DFAB COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)cc1 96056548 RWNAQEFBWQSRRY-QZTJIDSGSA-N 314.429 2.671 0 40 DFAB O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)N1 96061412 UMEWNOUMRMJMRQ-KRWDZBQOSA-N 310.397 2.918 0 40 DFAB CCO[C@H]1C[C@H](N(C)CC2CCN(C(C)=O)CC2)C12CCCC2 96419712 UXEORFMZDCXNKI-ROUUACIJSA-N 322.493 2.915 0 40 DFAB C[C@@H]1CN(C(=O)NCc2nccn2C)CC[C@@H]1c1ccccc1 96440540 SJAMHWDPLODASE-ZBFHGGJFSA-N 312.417 2.755 0 40 DFAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(Cc1ccsc1)CC2 247994977 LZNKBWHWVMKCGQ-LBPRGKRZSA-N 318.446 2.660 0 40 DFAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)COc1ccccc1 257252285 JUFVWUBTWXANBR-LKCYJCQHSA-N 314.429 2.587 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](c2ccncn2)C1 257270239 MTGYYUPSMXMIQB-KRWDZBQOSA-N 307.397 2.985 0 40 DFAB Cc1cccc(N2CCC[C@@H](NC(=O)CCc3cccnc3)C2)n1 257237688 HHPZSZBBFLETDF-QGZVFWFLSA-N 324.428 2.503 0 40 DFAB COc1cccc([C@H](CNC(=O)c2cccc(F)c2)OC)c1 96389747 ORXPRWBSKMXGLA-INIZCTEOSA-N 303.333 2.952 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccnc(-n2ccnc2)c1 48223137 ZVWZSGIAWCPNRP-OAHLLOKOSA-N 320.352 2.521 0 40 DFAB CCSc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cn1 68674581 QIUYWSAWQHPDFK-UHFFFAOYSA-N 313.382 2.689 0 40 DFAB O=C(c1cccnc1-n1cccn1)N1CC[C@@H]2CCCC[C@@H]2C1 71828335 GHEOONQCCUFECT-LSDHHAIUSA-N 310.401 2.920 0 40 DFAB Cc1ccccc1C[C@]1(CO)CN(C2CCCCC2)CCO1 1615142578 OKGNXJZMZTWQON-LJQANCHMSA-N 303.446 2.934 0 40 DFAB CCCC(=O)[C@]1(C)OC(=O)[C@@]2(C)[C@@H]1C=C[C@H]1[C@@H](O)[C@@H](C)CC[C@H]12 1772591711 LVVOMYFTQJSYEN-SVYUUWNCSA-N 320.429 2.887 0 40 DFAB NC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 5021518 UYCWGFBABHSOAJ-BAUKFBFWSA-N 313.397 2.553 0 40 DFAB CC(=O)O[C@@H]1CCC2=C3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)[C@@H]2C1 5029418 RXRGTWKBQFDKKQ-DWIQVCMBSA-N 316.397 2.993 0 40 DFAB CCOP(=O)(OCC)c1nc(C)oc1N1CCCCC1 5334486 NUHCFSKCCBSEKL-UHFFFAOYSA-N 302.311 2.865 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)OCc1cccc(F)c1 11578171 QAWMPQREYQRRDX-UHFFFAOYSA-N 311.312 2.996 0 40 DFAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)Nc2ccccc21 12089347 KZPVXSGFTINIGG-IBGZPJMESA-N 307.397 2.834 0 40 DFAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2cc3ccccc3o2)N1 19713306 IPKKVTILWGWCOK-UONOGXRCSA-N 312.369 2.706 0 40 DFAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 169356446 YGXYDYAYCQSPGI-NOXHYTERSA-N 303.745 2.563 0 40 DFAB Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1 159596 KOXJYVZSLXKBAM-UHFFFAOYSA-N 320.201 2.836 0 40 DFAB O=C(O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 108657145 HCFFJDQOJNZFRB-MNOVXSKESA-N 313.756 2.986 0 40 DFAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)CCC)ccc21 8840712 IYTNEKFAMITCJN-UHFFFAOYSA-N 324.446 2.918 0 40 DFAB COc1ccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)c(C)c1 1072934568 LBSJITLYVKGXTD-UHFFFAOYSA-N 302.418 2.560 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)COc3ccccc3)ccc21 17288853 BOUQDEIHORKJNR-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB CC(C)[C@@H](Cn1ccnn1)NC(=O)c1cccc2ccccc12 575617514 WGZVUNXBBBUTOD-QGZVFWFLSA-N 308.385 2.886 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccco1 75156223 MEZBVSGLDODSTP-QGZVFWFLSA-N 312.325 2.572 0 40 DFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccs2)C1=O 40066706 BBRXRWMCYLTOMK-OAHLLOKOSA-N 322.336 2.994 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2o1 51208560 QJQBDPSPIJIXLJ-UHFFFAOYSA-N 306.325 2.701 0 40 DFAB CS(=O)(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 11362478 GSXJIIIPLCLCLL-UHFFFAOYSA-N 318.398 2.629 0 40 DFAB CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 29054164 PQQUQVYOCGJWAX-UHFFFAOYSA-N 318.424 2.972 0 40 DFAB in-vivo CC(C)Cn1ccnc1CNc1ccccc1S(C)(=O)=O 89856771 YSTKCQSNDOYPGR-UHFFFAOYSA-N 307.419 2.555 0 40 DFAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NC2CCCC2)C1=O 423239 WSFSWSULMFHHGC-OAHLLOKOSA-N 316.401 2.558 0 40 DFAB CC(C)c1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)n[nH]1 89891240 DUTOKFHSLVJUPK-UHFFFAOYSA-N 319.308 2.751 0 40 DFAB COc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c(O)c1 45831117 VWYHYDORDKVUQE-UHFFFAOYSA-N 323.352 2.517 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1C 806809 YCKUOIPMYGIKES-HNNXBMFYSA-N 323.396 2.998 0 40 DFAB CC(C)n1ncc2ccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)cc21 81611409 FKMBSIFKRBWNHS-GXTWGEPZSA-N 314.389 2.676 0 40 DFAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2[nH]1 1469999 FBEGFCRGJLSUPR-UHFFFAOYSA-N 323.377 2.951 0 40 DFAB CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(C(F)(F)F)cc1 2754401 DKYFIMSRVYKJDE-WDEREUQCSA-N 319.304 2.753 0 40 DFAB COc1cccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)c1 345767 YFBNHCLSKKNWGJ-JKSUJKDBSA-N 311.337 2.938 0 40 DFAB CS(=O)(=O)c1ccc(-c2noc([C@@H]3CC=CCC3)n2)cc1 109608878 KTRHNGTYQYXUSA-GFCCVEGCSA-N 304.371 2.964 0 40 DFAB CC1(C)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 21585316 PNHGDGVKBHZUME-UHFFFAOYSA-N 319.748 2.825 0 40 DFAB CC[C@H](C)Nc1nnc(S[C@@H]2CCCCNC2=O)s1 32874013 ZBWFFIVAHVDZPI-DTWKUNHWSA-N 300.453 2.509 0 40 DFAB Cc1cccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 22927645 ITPUKCZTUMISDI-HZPDHXFCSA-N 319.449 2.594 0 40 DFAB CC1(C)NC(=O)N(CCCN2CCC[C@@H]2c2cccs2)C1=O 41625905 NUXIMTGESVVMLN-GFCCVEGCSA-N 321.446 2.606 0 40 DFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccn2)CC1=O 53280907 AMWHDRUSLSKDRI-ZFWWWQNUSA-N 309.369 2.630 0 40 DFAB Cc1ccsc1C(=O)NCc1ccnc(-n2ccnc2C)c1 47012864 JYCOBZZMUREIQL-UHFFFAOYSA-N 312.398 2.876 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1 29252831 CHPZBASBJQUPKE-LBPRGKRZSA-N 314.389 2.504 0 40 DFAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N 808288 CEUMEZBJRXNDCC-UHFFFAOYSA-N 316.748 2.809 0 40 DFAB O=C(Nc1ccccc1OCC(F)(F)F)C1CCOCC1 23042370 GTZVAZZFQSBSMA-UHFFFAOYSA-N 303.280 2.993 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 106116552 HXPLRLKHUUEFDX-ZQDZILKHSA-N 303.406 2.910 0 40 DFAB CNC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)c1 12606179 CHXGFNPQPXHPNJ-ZDUSSCGKSA-N 311.385 2.794 0 40 DFAB Cc1cc(CN2CCN(Cc3cccc4cccnc34)CC2)on1 25437328 VUOXXXXPCRAQGR-UHFFFAOYSA-N 322.412 2.849 0 40 DFAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)OC)CC1 175722105 CORBMTNNGRTYRW-MRXNPFEDSA-N 319.401 2.564 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)C1CCCC1 58201708 NHAZEAXHOYHWJJ-QGZVFWFLSA-N 314.429 2.527 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(F)cc1F 8323320 OBXOSCGWPHSLJF-AWEZNQCLSA-N 324.327 2.840 0 40 DFAB C[C@@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CCO1 48326457 YQLXPNRVRTXLSO-SNVBAGLBSA-N 318.377 2.822 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H]1c1cccs1 48366493 UUYVOVQQTGITSY-DGCLKSJQSA-N 318.398 2.823 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1 3458024 HSEOYYKEQQAZQT-UHFFFAOYSA-N 324.427 2.527 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccccc1)c1cc(F)ccc1F 69453806 CKSGGGYSMNMEJA-AWEZNQCLSA-N 305.280 2.609 0 40 DFAB C[C@H]1CCc2c(sc3nc(SCC(=O)O)nc(N)c23)C1 4030048 CXJUNDMPJRAAOJ-LURJTMIESA-N 309.416 2.575 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 8486588 DMLOCLLJHPCACD-UHFFFAOYSA-N 305.280 2.681 0 40 DFAB COCc1c(C(=O)OCc2nnc(C)o2)oc2ccccc12 5199221 CLPSHWXMYSZERN-UHFFFAOYSA-N 302.286 2.628 0 40 DFAB CNc1snc(C)c1C(=O)NCCO[C@@H]1CCCC[C@H]1C 65412386 CVPLYPKLQRHROU-ZYHUDNBSSA-N 311.451 2.818 0 40 DFAB Cc1csc(CNC(=O)N(Cc2ccccn2)C2CC2)n1 65512613 ABAWANIXZMUYLP-UHFFFAOYSA-N 302.403 2.721 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 5483499 BTGXTWAGXUCNRG-INIZCTEOSA-N 314.385 2.855 0 40 DFAB Cc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccccc4)C3=O)C2)cc1 5577946 OQWREPVVXAARSJ-LJQANCHMSA-N 320.348 2.822 0 40 DFAB CCN(CC)C(=O)COCC(=O)Nc1ccc(C(C)C)cc1 4700543 BSMSDTCHDYVLLF-UHFFFAOYSA-N 306.406 2.634 0 40 DFAB COc1cccc(C(=O)Nc2cccc(-n3cnnc3)c2)c1F 90169283 DYRNBKITWRUDIK-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB CCN(CC)CCNC(=O)c1ccc(Br)cc1F 19515547 DELWQKVDLAQZRN-UHFFFAOYSA-N 317.202 2.660 0 40 DFAB CCn1c(C)nnc1SCc1cc(C(=O)OC)ccc1F 96004642 DRXOQRJFWRQUGM-UHFFFAOYSA-N 309.366 2.824 0 40 DFAB COc1ccccc1COC(=O)c1cc2ccccc2c(=O)[nH]1 9448302 MXHGDPLPGWFWFF-UHFFFAOYSA-N 309.321 2.894 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2SCCc3ccccc32)n1C 96430462 YKZKIQGXTISMNZ-INIZCTEOSA-N 300.427 2.980 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)n2nc(C)cc2C)on1 71830045 WXCQODYCVMKVHQ-KBPBESRZSA-N 302.378 2.721 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCc1cccc(F)c1 71837298 KMKJHTDGNIKDHC-SNVBAGLBSA-N 304.369 2.736 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@@H](CC)c2ccccc2)CC1 71987522 IDSICNIWZKMMGG-INIZCTEOSA-N 302.418 2.651 0 40 DFAB O=C1CCCN1CCCSc1ncccc1Br 71914320 LLDWLAHOXUGCLI-UHFFFAOYSA-N 315.236 2.949 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)c1cc(OCC(F)F)ccn1 97046792 INMSKDOQKPYKKM-UHFFFAOYSA-N 320.299 2.645 0 40 DFAB O=C(Nc1nc(-c2cccs2)ns1)NC1CCC(O)CC1 97114048 VVPMNMXBHBKUFF-UHFFFAOYSA-N 324.431 2.692 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CCN(c3nccs3)CC2)c1 97142906 LGSNNLMRLVEJPB-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB C[C@H](CCNC(=O)N[C@H]1CCCc2sccc21)[S@](C)=O 97161834 GTXNUMMNCJCUOB-HTBQSJRVSA-N 314.476 2.582 0 40 DFAB Cc1cccc2ncnc(N3CCN([C@H]4CCSC4)CC3)c12 79076590 QOXHGQSEGJFREA-AWEZNQCLSA-N 314.458 2.566 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1COc2ccccc21 84573013 XIFJHXFGIAFFQM-QGZVFWFLSA-N 319.364 2.665 0 40 DFAB COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)SC)cc1 95456462 VOYFIUSETZWEKJ-XJKSGUPXSA-N 322.474 2.700 0 40 DFAB C[C@@H]1CN(c2ccc(CNC[C@H]3CC=CCC3)cn2)CCO1 95433916 NKBDTTSRIDJNGP-CVEARBPZSA-N 301.434 2.753 0 40 DFAB CC(=O)NCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 84964064 IUWNOHYKQKTGTQ-FMQWLBJXSA-N 300.402 2.607 0 40 DFAB CCN1CC[C@@H](NCCc2ccc(OC)c(OC)c2)[C@H](C)C1 95967073 WVHQVHABHLBNEB-GDBMZVCRSA-N 306.450 2.566 0 40 DFAB CC(C)(C)[C@@H]1CCN(CC(=O)NC2CCCCCCC2)C[C@@H]1O 95995993 CSIUTHHNPWTILT-SJORKVTESA-N 324.509 2.944 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 95955548 KTSXYEQOOIDHKA-RNCFNFMXSA-N 316.382 2.608 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@@H]2CCC[C@@]2(C)CO)CC1 89157357 JAKUFRSDVCOBJS-QAPCUYQASA-N 310.482 2.554 0 40 DFAB CCc1nc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cs1 89289952 RSEBLVIIYJUKLQ-DOMZBBRYSA-N 321.490 2.832 0 40 DFAB CC[C@H](C)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 521395119 LTHLDCJEYNFJJV-HBNTYKKESA-N 318.464 2.574 0 40 DFAB Nc1ncncc1-c1noc([C@H]2CC[C@H]2c2ccc(F)cc2)n1 528168677 NVQWBGHBLCLUCM-RYUDHWBXSA-N 311.320 2.909 0 40 DFAB Cc1nn2cccnc2c1C(=O)Oc1ccc(N2CCCC2)cc1 79195303 ISOIZZYSTMLLEK-UHFFFAOYSA-N 322.368 2.857 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ncc(Cl)cn1 72203078 MFIHNSGPZRXYCN-LLVKDONJSA-N 313.785 2.908 0 40 DFAB CSc1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 39989060 RALCRNACPGGYKD-ZETCQYMHSA-N 313.379 2.805 0 40 DFAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccccc2)sc1C 76852978 PZVQMBAXDXBRRI-UHFFFAOYSA-N 310.444 2.974 0 40 DFAB CCCN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216600 FKONYWIWMBVIEX-QGZVFWFLSA-N 302.466 2.770 0 40 DFAB COc1ccc(CN2CCC(c3cnn(C)c3)CC2)c(F)c1 568401976 MKKHMRULZKALNA-UHFFFAOYSA-N 303.381 2.947 0 40 DFAB O=C(c1ncccc1O)N1CCC[C@H]1C[C@H](O)c1cccs1 130623326 PHMQGFJAUCVBOZ-AAEUAGOBSA-N 318.398 2.577 0 40 DFAB COc1ccc([C@@H]2Sc3ccccc3N[C@@H](O)[C@@H]2O)cc1 85210623 CXRVOVGVPBFWLJ-PMPSAXMXSA-N 303.383 2.633 0 40 DFAB CCNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 229703387 IJYCRXOCPUMKBW-LUKYLMHMSA-N 303.450 2.611 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4o3)C2)nn1 225423791 QYXQVCSJVKQKIQ-AWEZNQCLSA-N 323.352 2.825 0 40 DFAB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C(=O)OC 225790162 ZWYYXZGDFJNWLQ-MRXNPFEDSA-N 309.362 2.626 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)c2cccs2)C1 195531416 IZOHEXZYKGSMPR-QJPTWQEYSA-N 314.476 2.755 0 40 DFAB Cc1ccc(SCCNC(=O)c2cc[nH]c(=O)c2)cc1C 95414563 IYZIKMHFUSVRRW-UHFFFAOYSA-N 302.399 2.514 0 40 DFAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4ccc(C)s4)C[C@H]3O2)n1 96219625 AINUJDLTWFDBML-GZBFAFLISA-N 319.430 2.580 0 40 DFAB CCC(CC)c1cc(CNC(=O)[C@H]2CCc3cncn3C2)on1 576776425 LDDKHDNLNKQBRM-ZDUSSCGKSA-N 316.405 2.654 0 40 DFAB CC1CCC(N(C[C@H]2CCCO2)C(=O)C2CCOCC2)CC1 96425784 DBKZCEFRLNVMBM-BDVYOWHSSA-N 309.450 2.999 0 40 DFAB N[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(F)(F)F)C1 95619032 YDSTZCLONHXDOY-RYUDHWBXSA-N 302.296 2.677 0 40 DFAB c1coc(CN2CCc3c(CNc4nccs4)n[nH]c3C2)c1 96084126 BCBLZTGHNQXWKW-UHFFFAOYSA-N 315.402 2.630 0 40 DFAB Cc1ccc(C)c([C@@H]2CN(CCN3CCOC3=O)[C@H](C)CO2)c1 96441488 UQVPUULDDZPVOV-WBVHZDCISA-N 318.417 2.517 0 40 DFAB COC(=O)c1cc(F)c(C)c(NCc2cccc(C(N)=O)c2)c1 96427489 POBOPIMKFIYOGQ-UHFFFAOYSA-N 316.332 2.632 0 40 DFAB C[C@@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C1CC1 96453377 LNQBMFMBWRFHFK-SSDOTTSWSA-N 308.325 2.563 0 40 DFAB CC1CCN(C(=O)c2ccc(NCc3ccncc3)nc2)CC1 96676765 BEXYQHIWZSIESP-UHFFFAOYSA-N 310.401 2.961 0 40 DFAB COc1ncccc1CN1C[C@H]2CC[C@H]1[C@@H]2Oc1ccccn1 247908046 XOSOGCVKKRQMQD-UKPHBRMFSA-N 311.385 2.527 0 40 DFAB c1ccc(O[C@H]2CSC3(C2)CN(Cc2ccncc2)C3)nc1 247857721 YIMAPRKHENJNDL-OAHLLOKOSA-N 313.426 2.616 0 40 DFAB CN1CCC[C@H]1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 253370229 NZTHRIXTPZYWID-CMPLNLGQSA-N 322.277 2.779 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(C)cc1 257319338 VRYFXEQFMSVXEF-WBVHZDCISA-N 300.402 2.573 0 40 DFAB Cc1c[nH]c([C@@H]2CN(Cc3cccc4cccnc34)CCO2)n1 257213201 CGOLIWBQSJSDCW-INIZCTEOSA-N 308.385 2.840 0 40 DFAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cscn2)n1 257288719 PVHLLYDPUUMLKQ-OAHLLOKOSA-N 317.462 2.640 0 40 DFAB c1ccc(CN2CCC[C@H]2c2cncc(-c3ncc[nH]3)n2)nc1 257339327 ZBGJZTDJIQUJQL-INIZCTEOSA-N 306.373 2.599 0 40 DFAB CCCCc1nc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c[nH]1 257312807 UPPOODLJZQPYOF-RDJZCZTQSA-N 307.438 2.522 0 40 DFAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccc(C)nc2)ccn1 257334377 YFQHNULNIMGQLB-IBGZPJMESA-N 324.428 2.758 0 40 DFAB CN1CCC2(CCCN(C(=O)c3cccc(Cl)n3)C2)CC1 374103449 ARVWVQHKVGBGDI-UHFFFAOYSA-N 307.825 2.683 0 40 DFAB Cc1ccc(-c2noc(CN[C@@H](C)[C@H]3CCCO3)n2)cc1F 69161106 UJRHSJBLHUMHBI-SMDDNHRTSA-N 305.353 2.841 0 40 DFAB COc1ccc([C@@H]2CC(c3ccco3)=NN2C(C)=O)c(OC)c1 95939598 AHAZVCROTAEFPK-HNNXBMFYSA-N 314.341 2.994 0 40 DFAB CC(C)C(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCCC1=O 85467534 AGULBBVQCXSNNC-MRXNPFEDSA-N 320.408 2.522 0 40 DFAB Cc1cc(S(=O)(=O)NCc2cccc(N)c2)sc1Cl 195578091 MOSDNIYLGFALKO-UHFFFAOYSA-N 316.835 2.771 0 40 DFAB O[C@H](c1cccc(I)c1)C(F)(F)F 231423997 NGUOCPAGZBJERM-SSDOTTSWSA-N 302.033 2.887 0 40 DFAB COc1ccc(CNCc2ccc(C(=O)O)cc2)cc1OC 5184903 UMHYUEUYUAETLM-UHFFFAOYSA-N 301.342 2.692 0 40 DFAB biogenic O=C(C1CC1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12117170 BBDYKIXXNBWRHZ-OAHLLOKOSA-N 308.385 2.655 0 40 DFAB COc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)c(OC)c1 14846887 BULOTJURNOYOAQ-UHFFFAOYSA-N 324.336 2.798 0 40 DFAB COc1ccccc1C(=O)Nc1nn2c(C(C)C)nnc2s1 15674553 YNLCGUVHYHJFKP-UHFFFAOYSA-N 317.374 2.570 0 40 DFAB COC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)CC1(C)C 953033827 UWVJGBKZQOGDSX-CQSZACIVSA-N 305.374 2.844 0 40 DFAB C[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccc2c(c1)OCCO2 40497458 WBWKUIBVQYHEMQ-JTQLQIEISA-N 313.357 2.549 0 40 DFAB CCN(CC)C(=S)SCC(=O)Nc1ccc(OC)cc1 2694835 HEPQCGYNEUDYFG-UHFFFAOYSA-N 312.460 2.994 0 40 DFAB Cc1ccc2nc(C)c(NC(=O)Cc3cccs3)c(=O)n2c1 12180750 LHQBHIXVNNCDOW-UHFFFAOYSA-N 313.382 2.554 0 40 DFAB CN1CCN(C(=O)N2CCS[C@@H](c3ccccc3)CC2)CC1 208043226 RVDLTLBMOKLQNN-MRXNPFEDSA-N 319.474 2.534 0 40 DFAB COc1ccccc1CNC(=O)NC1CC(C)(C)NC(C)(C)C1 31031247 UGRQIYPVGPQDAE-UHFFFAOYSA-N 319.449 2.804 0 40 DFAB Cc1cc(NC(=O)NCc2cccc(CN3CCCC3)c2)no1 31664288 XVAZUZJXQFPBPJ-UHFFFAOYSA-N 314.389 2.901 0 40 DFAB CCCCOc1ccc(CN[C@@]2(C)CCS(=O)(=O)C2)cc1 36944031 OPCVCXBWEMAXIK-INIZCTEOSA-N 311.447 2.532 0 40 DFAB CC(=O)NC1=NC[C@H](CSc2nc3ccccc3s2)S1 1687755 YAVUFTWCYQNOJJ-SECBINFHSA-N 323.468 2.996 0 40 DFAB COc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 2639786 CADFDDIOYLKJKP-GXTWGEPZSA-N 321.417 2.950 0 40 DFAB O=C(NCc1cccnc1)c1cc(Cl)c2c(c1)OCCCO2 20898659 UHJORDPSWQPQOX-UHFFFAOYSA-N 318.760 2.826 0 40 DFAB Cc1nn(CCOc2ccccc2)c(=O)n1-c1cccc(F)c1 4072896 YVMKENKMAASOAH-UHFFFAOYSA-N 313.332 2.561 0 40 DFAB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2 4697191 FYRPDSVRKDODDO-VZAMPYOESA-N 309.365 2.787 0 40 DFAB COc1cccc(CN(C)CC(=O)Nc2cccnc2Cl)c1 7458410 CXFGNCNCEWFREZ-UHFFFAOYSA-N 319.792 2.814 0 40 DFAB O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@@H]1CCCc2occc21 89865552 MURGNAIDDUUYOC-INMHGKMJSA-N 312.369 2.615 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(Cl)nc2)CCC[C@H]1C 102211837 WALAIACBLRXHMO-MDZLAQPJSA-N 324.808 2.833 0 40 DFAB CC(C)CNC(=O)[C@@H](C)N1CCC(C(=O)c2ccccc2)CC1 32888383 YLZQLUOZVPEPKJ-OAHLLOKOSA-N 316.445 2.742 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1(C)C 32850729 XZMDYTPKBGPKEY-KGLIPLIRSA-N 312.369 2.747 0 40 DFAB CCCOc1cccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1 92703357 UNUKDJDUCJMCDN-IRXDYDNUSA-N 302.418 2.718 0 40 DFAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(F)cc1C 32906673 JDKZACMCOQXGJR-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1 2746532 KCFZXTAPTHUPHS-UHFFFAOYSA-N 304.371 2.880 0 40 DFAB C[C@@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccco1 7867124 WQRUELULIDCPOT-SECBINFHSA-N 320.732 2.718 0 40 DFAB COc1cccc(CN(C)Cc2ncc(Cl)n2C)c1OC 52939181 ODKCOOKYBBNKSX-UHFFFAOYSA-N 309.797 2.723 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1)n1ncc(-c2ccccc2)nc1=O 33324544 SSYMPTVRHVZBLC-ZDUSSCGKSA-N 320.352 2.505 0 40 DFAB O=C(CCCCC(=O)N1C[C@H]2CC[C@H]1C2)N1C[C@H]2CC[C@H]1C2 110578581 NBBDXVSUYXXGDM-VGWMRTNUSA-N 304.434 2.569 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1 12407030 VEYZXGXQALVHHU-GXTWGEPZSA-N 315.398 2.691 0 40 DFAB Cc1cccc(CNC(=O)Nc2ccc(N3CCCC3)nc2)n1 47524986 LVTWLONAOWKJGK-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB COc1ccc(/C=C2/NC(=S)N(Cc3ccco3)C2=O)cc1 105328216 YMRXNTTYQCADCP-NTEUORMPSA-N 314.366 2.546 0 40 DFAB C[C@@H]1CCCN(CCCCNC(=O)NCc2ccccc2)C1 42862659 JDZVFWUDHGSWOI-MRXNPFEDSA-N 303.450 2.998 0 40 DFAB CC(C)C[C@H](CNCc1c[nH]nc1-c1cccnc1)N(C)C 42921127 TVDKHMLYDQSDOC-MRXNPFEDSA-N 301.438 2.538 0 40 DFAB C[C@@H](COc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 55731467 NGMOBLMXRMVJRY-ZDUSSCGKSA-N 313.353 2.655 0 40 DFAB COC(=O)CSc1nc2ccccc2nc1C(F)(F)F 1401716 YGIGUXQLMWBZDO-UHFFFAOYSA-N 302.277 2.914 0 40 DFAB C[C@H](Nc1ccccn1)c1ccc(S(=O)(=O)N(C)C)cc1 44977081 CUSLCCKUOXCTPW-LBPRGKRZSA-N 305.403 2.505 0 40 DFAB COc1ccc(CC(=O)Nc2ccn(Cc3ccccn3)n2)cc1 58357000 YCESYMDTECYFME-UHFFFAOYSA-N 322.368 2.516 0 40 DFAB Cc1ccc([C@H](NCC(=O)NC(=O)NC(C)(C)C)C2CC2)cc1 12789453 DUJNGKQTCGAXRU-INIZCTEOSA-N 317.433 2.660 0 40 DFAB O=C(COC(=O)Cc1ccccc1Cl)NC1CCCCC1 28612300 MRGUPNXBXXIKJG-UHFFFAOYSA-N 309.793 2.875 0 40 DFAB COc1ncccc1NC(=O)NCCCOC1CCCCC1 48299952 USGSWNLGGKYDCE-UHFFFAOYSA-N 307.394 2.951 0 40 DFAB CN(CC1CCCCC1)C(=O)Nc1ccc(-n2cnnn2)cc1 48301675 UDRKAXVLRDSIOE-UHFFFAOYSA-N 314.393 2.706 0 40 DFAB Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc1 69780310 AMMXZYXYOFZQGD-UHFFFAOYSA-N 312.417 2.986 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(C)o2)c1C 69723676 QETFZGOEGYQIEE-JTQLQIEISA-N 304.346 2.811 0 40 DFAB CS[C@@H](C)c1nc(-c2cccc(CN3CCOCC3)c2)no1 69737788 KYHJNZQJBKWFBB-LBPRGKRZSA-N 319.430 2.993 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C1 8246481 JFLABDBFTABURG-KBPBESRZSA-N 318.417 2.636 0 40 DFAB CCc1ncc2c(n1)CN(Cc1nc3c(F)cccc3[nH]1)CC2 70016774 DDVXMMPAHCGGQO-UHFFFAOYSA-N 311.364 2.613 0 40 DFAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccco1 8360475 XETIYTDQNZVIFX-CYBMUJFWSA-N 312.369 2.826 0 40 DFAB O=C(Cc1cccc(Cl)c1)NC[C@H]1COc2ccccc2O1 67791056 FMLMZJBUJCYNCG-AWEZNQCLSA-N 317.772 2.839 0 40 DFAB Cc1ccccc1OC[C@@H](O)CNCC1(N(C)C)CCCCC1 39502315 QNOBLAFTXRXJRC-KRWDZBQOSA-N 320.477 2.589 0 40 DFAB COc1ccc(-c2csc(N3CCN(C)CC3)n2)c(OC)c1 6671506 OVMAPGVGYOYHRP-UHFFFAOYSA-N 319.430 2.579 0 40 DFAB CN(Cc1ccco1)C(=O)NCc1ccc(-n2ccnc2)cc1 66890966 AOZBNGUBKLIFEO-UHFFFAOYSA-N 310.357 2.807 0 40 DFAB CNS(=O)(=O)c1cccc(CNCc2ccc(C)c(C)c2)c1 66988976 LPFYZBGBRCVRSA-UHFFFAOYSA-N 318.442 2.501 0 40 DFAB COCCN(C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 67287651 RNOSJKAWJIUSLW-UHFFFAOYSA-N 308.769 2.636 0 40 DFAB CC(=O)N(C)Cc1ccccc1NC(=O)NC1CCSCC1 69975126 ZIBVWFXGSBUASD-UHFFFAOYSA-N 321.446 2.682 0 40 DFAB Cc1occc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 68142156 RCYQYALXOSATFQ-MRXNPFEDSA-N 313.353 2.936 0 40 DFAB COC(C)(C)CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 80713037 OUSYRZGPXBZPRL-UHFFFAOYSA-N 305.403 2.690 0 40 DFAB C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccccc2)O1 89936901 DLRVHPANPOSZRV-BLLLJJGKSA-N 311.385 2.501 0 40 DFAB Cn1cc(C(=O)N2CC(C)(C)Sc3ccccc32)ccc1=O 89919687 JTWBRVVOWUXVDX-UHFFFAOYSA-N 314.410 2.916 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1 9453186 YUFSVBGRSLWAJO-UHFFFAOYSA-N 313.231 2.920 0 40 DFAB Cc1cc(C(=O)O[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)on1 71796006 GVTGCVVVZSNXAE-GXTWGEPZSA-N 308.378 2.565 0 40 DFAB CC(C)(C)OC(=O)NC1CCC(N[C@H]2CCSC2)CC1 96478119 FEVBMDGLVGAALZ-BPCQOVAHSA-N 300.468 2.917 0 40 DFAB Cn1cnnc1C1CCN(c2ncccc2C(F)(F)F)CC1 71810942 UAGALWSORJPZEF-UHFFFAOYSA-N 311.311 2.613 0 40 DFAB CC(C)(NC(=O)c1ccc(-c2ccccc2F)s1)C(N)=O 71821892 FLJPSURKARHZBF-UHFFFAOYSA-N 306.362 2.548 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)no1 72283293 OXRJSZBONJZVNA-LLVKDONJSA-N 304.350 2.509 0 40 DFAB CC(C)(C)c1ccc(C[S@@](=O)Cc2nnnn2C2CC2)cc1 72275823 NRCUFECLNQGWEP-QFIPXVFZSA-N 318.446 2.754 0 40 DFAB C/C(=C\C(=O)NC[C@H]1COCCO1)C12CC3CC(CC(C3)C1)C2 83812940 FXHPMMDDFNXOTE-ZUKWEXBISA-N 319.445 2.681 0 40 DFAB CCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 83823672 RRKPXFWNWKGPHS-KBXCAEBGSA-N 300.446 2.986 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2nnc(C3CCC3)o2)no1 72277976 VLOUFWLLMFVYHV-LLVKDONJSA-N 303.366 2.620 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cccn2C)n1 72279941 IYDKUDHTJADGCE-HNNXBMFYSA-N 300.406 2.533 0 40 DFAB CCCS(=O)(=O)N1CCC[C@@H]1CC(=O)c1cccs1 97046888 DVRIBOWBDJBSGM-LLVKDONJSA-N 301.433 2.525 0 40 DFAB NC(=O)C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 97098742 ZJYGNAPGPAPOTK-VIFPVBQESA-N 313.760 2.598 0 40 DFAB CC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 97035696 XXQMTSYSHLNFJN-OHUAYANFSA-N 311.328 2.828 0 40 DFAB Fc1ccc(NCc2cn(Cc3cccnc3)nn2)c(F)c1 97103510 UKRFQWNVJCKRLH-UHFFFAOYSA-N 301.300 2.612 0 40 DFAB Cc1nscc1C(=O)O[C@@H](Cn1cncn1)c1ccccc1 97138771 ATTSIZLRRXQVIW-AWEZNQCLSA-N 314.370 2.641 0 40 DFAB Cc1ccsc1C(=O)Nc1ccccc1N1C(=O)CCC1=O 78618417 KWQIGLZBJDLQMB-UHFFFAOYSA-N 314.366 2.962 0 40 DFAB CCc1ccc(OC(=O)c2cnn(C)c2Br)cc1 97378368 QPPCRJXIRRSTLS-UHFFFAOYSA-N 309.163 2.964 0 40 DFAB COCC1CCN(C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 79028852 FRQQAIBJNLXLKI-UHFFFAOYSA-N 322.453 2.899 0 40 DFAB CN(CC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)C1CC1 95962489 CILBZEQPFBEKAA-CYBMUJFWSA-N 304.287 2.640 0 40 DFAB CC(C)c1cc(=O)oc2cc(Oc3nccn4nnnc34)ccc12 95963824 FBLSLKBPFJDKNL-UHFFFAOYSA-N 323.312 2.541 0 40 DFAB Cc1ccc2nc(CNc3ccccc3CC(=O)N(C)C)cn2c1 89668942 JXNCYDBZJQWZAZ-UHFFFAOYSA-N 322.412 2.886 0 40 DFAB O=C1NCCN1c1cccc(NCc2cccc3cn[nH]c23)c1 89779565 ZSVAHQAHAVRBPU-UHFFFAOYSA-N 307.357 2.705 0 40 DFAB CS[C@H]1c2c(cc(=O)[nH]c2-c2cccc(C)c2)C(=O)N1C 62716516 IBSLAUZDQRSMMU-INIZCTEOSA-N 300.383 2.798 0 40 DFAB O=C1NC(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N1 33398429 OQOHSSHDQZPHJS-ZROIWOOFSA-N 312.300 2.585 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 78987735 QEOQBLWSBBZALB-QWHCGFSZSA-N 314.495 2.671 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 36697372 RIFUGEVYTBABST-MJVIPROJSA-N 302.340 2.814 0 40 DFAB Cc1cc(C(=O)Nc2cc(C)on2)nc(N2CCCCCC2)n1 72241510 QKNKMAFTFWFGRD-UHFFFAOYSA-N 315.377 2.714 0 40 DFAB O=C(C1CCCC1)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 72337343 WBMZPCSRAHZSPL-UUVAVEHKSA-N 318.392 2.752 0 40 DFAB COc1ccc(C(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 62021424 TZATWJHROCSENU-IBGZPJMESA-N 313.397 2.809 0 40 DFAB COC(=O)c1ccc(Cn2ccc(=O)c3cc(F)ccc32)o1 40175717 MUCCOPBTAXOASM-UHFFFAOYSA-N 301.273 2.569 0 40 DFAB CN(Cc1ccc(Cl)nc1)C1CCN(C[C@@H]2CCOC2)CC1 72664346 IAWNHYTVPQXJNI-HNNXBMFYSA-N 323.868 2.668 0 40 DFAB COc1ccccc1CN(C)C(=O)Nc1ccc(N(C)C)cn1 193877698 XJIUTUHCHNSTRU-UHFFFAOYSA-N 314.389 2.820 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)O2 85875505 LJVHUJOMBJJCBE-CQSZACIVSA-N 313.353 2.912 0 40 DFAB biogenic CC[C@@]1(C)Oc2ccc(NC(=O)Cc3cc(C)[nH]n3)cc2O1 135267250 JSIGIODDBDFWFM-INIZCTEOSA-N 301.346 2.797 0 40 DFAB O=C(O)c1cnc(-c2ccccc2F)nc1N1CCCCC1 49469166 BZZWKLQKEQNQIW-UHFFFAOYSA-N 301.321 2.971 0 40 DFAB Cc1ccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 226387924 CBUGEEDRWFOKJU-DFYGGBHCSA-N 322.408 2.726 0 40 DFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 223504378 SNVOUZCMOBRCFG-INIZCTEOSA-N 324.424 2.783 0 40 DFAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C 224205862 DBJYJYUWOPOUPS-HNNXBMFYSA-N 304.434 2.894 0 40 DFAB COCCN1CCC2(CCN(Cc3ccc(C)s3)CC2)C1=O 96046795 CHUAFCUWYXLCAC-UHFFFAOYSA-N 322.474 2.517 0 40 DFAB Cc1cc(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)ccc1F 96134059 LWNAXHAHQIRHFL-DZGCQCFKSA-N 309.381 2.725 0 40 DFAB O=S(=O)(N[C@@H](c1cccnc1)C1CC1)c1ccc(F)c(F)c1 330031819 DSMPIVVHXZRFAD-OAHLLOKOSA-N 324.352 2.789 0 40 DFAB CCOC[C@H]1CCC2(CCN(C(=O)C3=CCCCC3)CC2)N1C 96207726 KIXIBONQUDPTIE-QGZVFWFLSA-N 320.477 2.979 0 40 DFAB Cc1nc(COC[C@@H]2OCCc3cn(CC4CC4)nc32)cs1 96044241 VBNJECWNEVQLPP-HNNXBMFYSA-N 319.430 2.889 0 40 DFAB c1cn2c(n1)CN(Cc1ccoc1)C[C@@H](COCC1CC1)C2 96187878 RZFAUQPLVMZMLZ-MRXNPFEDSA-N 301.390 2.535 0 40 DFAB C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1nnc(-c2ccco2)o1 97103328 YLACRSOQDVZVJL-NEPJUHHUSA-N 318.377 2.779 0 40 DFAB Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 269975114 YMZYJXQOKWKQBQ-TVQRCGJNSA-N 302.378 2.702 0 40 DFAB Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575605590 LJMOOVVWBBSTPK-LLVKDONJSA-N 321.764 2.633 0 40 DFAB Cc1cc(O[C@H]2CCCN(C(=O)c3cccs3)C2)nc(C)n1 575604742 DYZVZJBBYXKSIE-ZDUSSCGKSA-N 317.414 2.839 0 40 DFAB Cc1ccc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)o1 585112449 PWVZIYUJDPUXQP-INIZCTEOSA-N 324.384 2.815 0 40 DFAB Cc1ccccc1OCCCN(C)c1ncnc2c1cnn2C 52511247 VCYAHYPYNJJKPX-UHFFFAOYSA-N 311.389 2.577 0 40 DFAB Cc1nc(CNC(=O)NCCc2sc(C)nc2C)cs1 71888439 NSDNNFJJVUJJFS-UHFFFAOYSA-N 310.448 2.567 0 40 DFAB C[C@H](O)CCN(C)C(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 89895422 AGHYHMHCWHKHOW-QOKNQOGYSA-N 316.445 2.693 0 40 DFAB Cc1nn2c(=O)cc(COc3c(C)cccc3C)nc2s1 13367570 FLHCVDSOKNXZAN-UHFFFAOYSA-N 301.371 2.655 0 40 DFAB O=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1 13434650 YAIRFGKVTCTFLK-AWEZNQCLSA-N 317.728 2.832 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ncnc3c2CCCC3)cc1 1888866715 UHFRNHWRLIRMRS-UHFFFAOYSA-N 310.357 2.566 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2nnc(C(C)(C)C)s2)C1 1889070556 QCNRRZCMYLOJBN-JTQLQIEISA-N 310.467 2.577 0 40 DFAB Fc1cncnc1N1CCC(COc2ccncc2Cl)CC1 1889091534 RFPGMPLQPWITQE-UHFFFAOYSA-N 322.771 2.960 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccccc1F 8931714 MYBNILOKIKLVAG-UHFFFAOYSA-N 317.345 2.764 0 40 DFAB O=C(NCc1ccccc1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 9038861 JKPABWKUTVOJOU-INIZCTEOSA-N 323.396 2.539 0 40 DFAB CSCC[C@H](O)CNC(=O)NCc1cccc2ccccc12 1775967585 XGDKXARYHBQCHT-HNNXBMFYSA-N 318.442 2.753 0 40 DFAB c1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 34119579 JQXOPXCCXHKEAM-UHFFFAOYSA-N 306.413 2.881 0 40 DFAB Cc1cnccc1OCC1CCN(c2ccc3nccn3n2)CC1 2086865406 VBDSQGOWZGTWGM-UHFFFAOYSA-N 323.400 2.728 0 40 DFAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cccc(F)c2)cc1 75155510 YYNVMLPDIZCYOL-GOSISDBHSA-N 317.360 2.558 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccoc1 75171754 ALWGAOTUAZFNPO-CQSZACIVSA-N 323.776 2.940 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(-c2cccc(Cl)c2)on1 40087363 RLRKPWHTBPKYKH-GFCCVEGCSA-N 306.749 2.904 0 40 DFAB Oc1ccccc1N1CCN(CCOc2ccccc2F)CC1 40161481 HFFMIBUFCLVQDP-UHFFFAOYSA-N 316.376 2.732 0 40 DFAB O=C(CCNC(=O)C1CCCC1)NCc1ccc(Cl)cc1 31550673 IELBNFZCYCRZHQ-UHFFFAOYSA-N 308.809 2.653 0 40 DFAB Cc1noc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 40555992 NFVNBKAZUJPDOC-UHFFFAOYSA-N 307.300 2.676 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 11470969 GQXJYFVVDAYGFT-CQSZACIVSA-N 320.389 2.771 0 40 DFAB CC1(C)CC(NC(=O)c2n[nH]c3ccccc23)CC(C)(C)N1 11423583 RXBLTVNHLNYVKT-UHFFFAOYSA-N 300.406 2.602 0 40 DFAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccn1 532937 RWGXJALDQUJHMR-UHFFFAOYSA-N 310.382 2.852 0 40 DFAB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 858646 IPDBSUZSHWFZDN-UUIJZJDISA-N 324.163 2.826 0 40 DFAB COc1ccc(-c2ccc(SCC(=O)NC(C)C)nn2)cc1 1332358 DCHJHEFZFVMSIV-UHFFFAOYSA-N 317.414 2.769 0 40 DFAB COc1ccc([C@@]2(C(=O)O)CC(C)=C(C)C[C@@H]2C(=O)O)cc1 1728096 PENVFJHOMUNOFK-PBHICJAKSA-N 304.342 2.849 0 40 DFAB Cc1cc(Br)c(NC(=O)CSCCO)cc1C 2143853 SPMPKTUOYJYGJK-UHFFFAOYSA-N 318.236 2.730 0 40 DFAB O=C(NCc1ccco1)c1c[nH]c2cc(Cl)ccc2c1=O 20732773 LDBIVTLYUNOHJY-UHFFFAOYSA-N 302.717 2.705 0 40 DFAB Cc1cc(COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)on1 32386606 LMXVKXOSCBIFQG-NSHDSACASA-N 307.733 2.931 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451350 KELMSVORRQFRKS-IINYFYTJSA-N 324.808 2.774 0 40 DFAB COc1ccc(C(=O)CSc2nnc3c(n2)CCCC3)cc1 4968407 UQEKALOKRKWAIZ-UHFFFAOYSA-N 315.398 2.734 0 40 DFAB COc1ccc(C[C@H]2CCCN2c2ncnc3c2cnn3C)cc1 52469539 QAZDHSNISYYRHR-CQSZACIVSA-N 323.400 2.583 0 40 DFAB CCc1ccc(CN(CC(=O)Nc2nncs2)C2CC2)cc1 52668869 XRPBNDATHOITSI-UHFFFAOYSA-N 316.430 2.704 0 40 DFAB O=C(c1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCO2 12020847 WFXYXTOWZGFMDG-UHFFFAOYSA-N 316.184 2.973 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccncc1 53599504 YJBZYVYLXFLWOI-KRWDZBQOSA-N 307.353 2.984 0 40 DFAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CC2)cc1 22971902 XKKHYGCUWVTFRI-UHFFFAOYSA-N 316.430 2.832 0 40 DFAB CCCC1(CCC)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O 23104173 XHFWCZJAZGIHFP-UHFFFAOYSA-N 322.409 2.758 0 40 DFAB Cc1cc(SCC(=O)NC[C@H]2CCCO2)nc2ccccc12 912370 RXOWKPMKISYJCV-CYBMUJFWSA-N 316.426 2.931 0 40 DFAB c1cnc(NC2CC3(CCN(Cc4cccnc4)CC3)C2)nc1 108531101 LOYXFCHMFKZIEC-UHFFFAOYSA-N 309.417 2.728 0 40 DFAB Cc1noc(C)c1C(=O)/N=c1\ccccn1Cc1ccccc1 105512442 DJGSVESUGSMUQQ-KNTRCKAVSA-N 307.353 2.882 0 40 DFAB Cc1nn(CCCNC(=O)C2CCC2)c(C)c1Br 27928202 GWZFNYQWSHEOKP-UHFFFAOYSA-N 314.227 2.569 0 40 DFAB Cc1ccc(O)c(C(=O)NCCCN(C)Cc2ccccc2)c1 24110744 GKGKEBADNHTDDF-UHFFFAOYSA-N 312.413 2.953 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 24191324 LTIRVLNHMZVLME-UHFFFAOYSA-N 314.385 2.697 0 40 DFAB CCOc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 174176974 FEYWJZXSIGMLPY-CQSZACIVSA-N 315.377 2.546 0 40 DFAB c1ccc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)nc1 108530178 OGEJMSHJWXYCFZ-UHFFFAOYSA-N 309.417 2.728 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccn2)cc1 57012929 POFXPNBXWCBNAE-MRXNPFEDSA-N 302.399 2.916 0 40 DFAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)n1 25462215 CLRJMXJGWJVLPA-INIZCTEOSA-N 306.369 2.643 0 40 DFAB Nc1ncnc2c1ncn2CCCSc1ccc(F)cc1 63436404 MFVPYWFMXHDPNH-UHFFFAOYSA-N 303.366 2.730 0 40 DFAB CCCc1nc2[nH]c(CSc3ccc(C)cc3)cc(=O)n2n1 101418953 NOFVTKCHAVWTIK-UHFFFAOYSA-N 314.414 2.971 0 40 DFAB CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355196 CXVNYNWHPWTDOG-BBRMVZONSA-N 306.381 2.507 0 40 DFAB CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44456812 YHGUKUCGBRYMPL-LBPRGKRZSA-N 324.446 2.540 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)nn(C)c2C)no1 44633980 RSHDUFIKQRVQDH-INIZCTEOSA-N 316.405 2.630 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cccc3[nH]ncc23)C1 69778547 LXCUAVJATJNPMV-CYBMUJFWSA-N 309.373 2.545 0 40 DFAB CC(C)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69700745 PSMCGUNTOQZASH-WFASDCNBSA-N 310.825 2.626 0 40 DFAB O=C1CCCN1CCCNC(=O)N1CCC[C@@H]1c1cccs1 44890912 LTWIFSMWJVHTTN-CYBMUJFWSA-N 321.446 2.607 0 40 DFAB C[C@@H](COCc1ccccc1)C(=O)NC[C@@H](C)CN1CCCC1 58290907 HVUJREHXZOKNOB-SJORKVTESA-N 318.461 2.687 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@@H](C)CC[C@H]2CCCO2)c1 58245121 PPJUTQABIZABQK-QWHCGFSZSA-N 307.390 2.781 0 40 DFAB CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2 2103087 VLDVHJKPWJRHLV-LLVKDONJSA-N 323.414 2.921 0 40 DFAB Cn1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1=O 44977385 OZTJAUGDTMTLAT-OAHLLOKOSA-N 323.396 2.906 0 40 DFAB O=C(Nc1cc(CC2CCCCC2)n[nH]1)c1ccc2nncn2c1 58323099 DMUDYJPHMUGGQS-UHFFFAOYSA-N 324.388 2.828 0 40 DFAB Cc1nc(CCNC(=O)N2CCc3ccccc3C2)cs1 45490187 WRKWLQAFWRRRRM-UHFFFAOYSA-N 301.415 2.762 0 40 DFAB CN(C(=O)c1ccccc1F)C1CCN(c2ccccn2)CC1 69435814 VWIWQAIZNJEAIZ-UHFFFAOYSA-N 313.376 2.962 0 40 DFAB CC[C@@H]1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCO1 48138131 OOMBEIYARCQLQP-OAHLLOKOSA-N 300.358 2.522 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2sccc2C)cc1 3315319 UIUDWBYAEBMVOH-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1 48353503 PJQUDZOAWPQUOM-FMKPAKJESA-N 312.417 2.952 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)NC)[C@H]1c1ccccc1OC 12800169 AMHMFUIOJLYKDG-RHSMWYFYSA-N 318.417 2.521 0 40 DFAB CC(=O)c1ccc(OCC(=O)Nc2nnc(C3CC3)s2)cc1 3552692 RKODVVQUANWYIG-UHFFFAOYSA-N 317.370 2.636 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)OCC(F)(F)F 38342065 PJLZMICDIHQEOO-JTQLQIEISA-N 306.284 2.705 0 40 DFAB COc1cc2nc(C)sc2cc1NC(=O)CN(C)C(C)C 69538375 KAFSWFNKRFTQGS-UHFFFAOYSA-N 307.419 2.892 0 40 DFAB CC(C)[C@H](NC(=O)COc1ccccc1)c1nnc2ccccn12 69534197 FDTSWEXVQAPCLW-KRWDZBQOSA-N 324.384 2.622 0 40 DFAB COc1ccc([C@@H](NC(=O)C2CCCC2)c2nccn2C)cc1 9157091 IMNMOIAWDMQMGH-MRXNPFEDSA-N 313.401 2.825 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(c3cnc4ccccc4n3)C2)n1 69817771 REIILPBRUKIWJX-HNNXBMFYSA-N 322.416 2.755 0 40 DFAB COc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1 8735575 RZAYPBZITMNGJP-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc[n+]1[O-] 65159261 LWVKNRYADXHTCY-LBPRGKRZSA-N 307.353 2.561 0 40 DFAB CCCCCCSc1nc(O)c(CCOCC)c(=O)[nH]1 13957182 MEZSHGJWBNWIOV-UHFFFAOYSA-N 300.424 2.727 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCCc1cccc2cccnc12 65476930 FKMOYHDAHDCMTM-UHFFFAOYSA-N 323.444 2.675 0 40 DFAB Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl 65516439 AEGRDFWMPAPNFB-JSGCOSHPSA-N 322.836 2.693 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)c(O)c1 14134813 YWQNOXPTRHHTRP-UHFFFAOYSA-N 322.263 2.719 0 40 DFAB O=c1n(CN2CCC[C@@H]2c2ccccc2)nc2n1CCCCC2 14163689 PYHNUGBXPKZFBT-MRXNPFEDSA-N 312.417 2.566 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN1[C@@H](C)CCC[C@H]1C)C2=O 6566044 FANBLNSUURMZTO-GCGBMVOASA-N 307.438 2.708 0 40 DFAB CC(=O)N[C@@H](CC(=O)NC1CCCC1)c1c(F)cccc1F 66268223 CJFCONBNDIBLJA-AWEZNQCLSA-N 310.344 2.591 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)on1 66771439 KRWKKDWOEPMCKX-CYBMUJFWSA-N 314.341 2.732 0 40 DFAB COC(=O)C1CCN([C@H](C)C(=O)c2c[nH]c3ccccc23)CC1 15412988 YAVCMOSSCKTEIH-GFCCVEGCSA-N 314.385 2.624 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc12 7779458 ZWWSLGSGAWJFSX-LBPRGKRZSA-N 313.353 2.785 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(-n2ccnc2)cc1 71285543 KIBOPLCKMIVETP-UHFFFAOYSA-N 321.336 2.752 0 40 DFAB c1cc(C2SCCS2)ccc1Oc1ccc2nnnn2n1 9390189 FTWXSUDSUILYGA-UHFFFAOYSA-N 317.399 2.790 0 40 DFAB CCSCC[C@H](C)NC(=O)c1cccc(-n2cccn2)n1 96433093 ONBQUJVELASHGR-LBPRGKRZSA-N 304.419 2.529 0 40 DFAB Cc1nc(SCC2=NNC(=O)c3ccccc3O2)oc1C 9614855 ZBALJBGVSREQQD-UHFFFAOYSA-N 303.343 2.519 0 40 DFAB Cc1ccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)c1 97166037 OTVXEIMGGISLOU-UHFFFAOYSA-N 315.417 2.780 0 40 DFAB O=C(NCCCCOC1CCCCCC1)NCC1(O)CCC1 95399595 ZTZHRHPBEXTZIJ-UHFFFAOYSA-N 312.454 2.720 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)c1occc1-c1ccc(F)cc1 95434817 UMWPSSDTCHNOPY-QMTHXVAHSA-N 323.389 2.928 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)NCCC(=O)N(C)C)c1C 73742987 LXJYWVXHLAHDPT-INIZCTEOSA-N 317.433 2.628 0 40 DFAB CCc1nncn1CCN[C@@H]1CCCOc2cc(C)ccc21 95968728 PRUUYGQJKZPAOD-OAHLLOKOSA-N 300.406 2.652 0 40 DFAB O=C1CCCN1C[C@H](Nc1ncnc2c1CCC2)c1ccccc1 95961995 OZSNFVYQCTYWLY-KRWDZBQOSA-N 322.412 2.741 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1cccc(OC)c1 79324309 DVHJEVUZTJNFMJ-OSRJUQGESA-N 311.447 2.637 0 40 DFAB CCSCC[C@@H](C)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 74912039 WFTMWEUJOLYJHZ-CHWSQXEVSA-N 310.467 2.830 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c(=O)[nH]1 75120808 JOUZYORVQQLOQH-OAHLLOKOSA-N 314.360 2.670 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N(CCO)CC1CC1)C1CC1 89689159 SBLOEDHDKMYAIY-KRWDZBQOSA-N 302.418 2.860 0 40 DFAB Cc1ccc([C@H](CNC(C2CC2)C2CC2)N2CCOCC2)o1 89652541 FMFFEDSXYOKNRF-INIZCTEOSA-N 304.434 2.740 0 40 DFAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 408728448 MOHNYWCKYNVQAZ-DLTLXFJOSA-N 317.772 2.871 0 40 DFAB COc1ncccc1NC(=O)N[C@](C)(CO)C1CCCCC1 172684006 BQYCXOJRPMAUKS-MRXNPFEDSA-N 307.394 2.543 0 40 DFAB Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCSC2)c(Cl)c1 127335516 PVXDQDSHPFQNPI-JTQLQIEISA-N 312.822 2.551 0 40 DFAB CC(=O)c1cccc(NC(=O)NCCNc2cccc(C)n2)c1 79358819 SKWYZBKQKQLUMY-UHFFFAOYSA-N 312.373 2.826 0 40 DFAB Cc1cccn2cc(COc3ccc(C(=O)N(C)C)cc3)nc12 32904175 ZLYTUOLZZJHQEK-UHFFFAOYSA-N 309.369 2.924 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(NC[C@H]3CCCO3)c21 72238343 RVEJSKZWMAGESK-GFCCVEGCSA-N 303.410 2.869 0 40 DFAB C[C@]1(NC(=O)CC[C@@H]2CCCO2)CCN(Cc2ccccc2)C1 566318993 BBATWDDGWCUSMU-HKUYNNGSSA-N 316.445 2.726 0 40 DFAB O=C(O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 71670642 SIPZJZUULXFBER-UHFFFAOYSA-N 314.360 2.846 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1 45952594 SROXIBLJFITNHS-QMMMGPOBSA-N 302.157 2.909 0 40 DFAB Cc1ccnc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1 571042614 KWZTXRXMTGAEHY-KXBFYZLASA-N 322.412 2.949 0 40 DFAB COC(=O)Cc1csc(NC(=O)/C=C/c2cccc(F)c2)n1 47339182 HEUNWUQARFTOIS-AATRIKPKSA-N 320.345 2.650 0 40 DFAB Cc1ccn2ncc(C(=O)Oc3cnc4ccccc4c3)c2n1 195576455 XBJFYUNHPBBNEF-UHFFFAOYSA-N 304.309 2.805 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1F 225094167 UKRVHGMYQSFSOR-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC 222681319 VNOZDUIVTCUBSS-VIFPVBQESA-N 317.216 2.867 0 40 DFAB CC(C)c1noc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 613210823 QWEGJARJFJUTMY-HUUCEWRRSA-N 312.417 2.761 0 40 DFAB CN(C(=O)CCCC(C)(C)C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 85294909 HGRMTCFZIVPXDF-OLZOCXBDSA-N 303.468 2.627 0 40 DFAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4nccs4)O[C@@H]3C2)c(C)o1 96045781 NLNORPSVGPKNPZ-FPMFFAJLSA-N 318.398 2.955 0 40 DFAB C[C@@H](CCNCc1cc(F)ccc1Br)[S@](C)=O 90189414 KOOUQGKYZULLTJ-HUTHGQBESA-N 322.243 2.835 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1C)C2 96039195 WLOABYJOTXPIDP-PKOBYXMFSA-N 317.429 2.582 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@H]2c1ccccc1F 97105462 FKCNCXWMZWOQIY-OAHLLOKOSA-N 308.316 2.725 0 40 DFAB CC[C@](C)(NC(=O)c1ccnc(C(=O)OC)c1)c1ccccc1 96459223 MGBWSXDXTUVJJE-SFHVURJKSA-N 312.369 2.923 0 40 DFAB c1ccc(CO[C@@H]2CN(Cc3ccoc3)[C@H]3CCCO[C@H]32)nc1 96110776 IPWYYLZLOFBWJR-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB COc1ccc(CCNCc2cnc(SC)nc2)cc1OC 95472026 BCHVTLQKSLMBAX-UHFFFAOYSA-N 319.430 2.548 0 40 DFAB CSC[C@H](C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 96431154 QUGDFETXCJIJAH-ZDUSSCGKSA-N 320.458 2.750 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)C[C@H]1CCN(C)C1 96430907 VLBAJGJWFNAKLR-NXOAAHMSSA-N 310.482 2.770 0 40 DFAB CC(C)COC[C@H]1CN(Cc2ccco2)Cc2ncn(C)c21 96060227 JTEXCYYMJXSOPS-CQSZACIVSA-N 303.406 2.785 0 40 DFAB CC(=O)N1CCN(Cc2cncs2)C[C@@H]1c1ccccc1 257313984 UUXUGIIMLQHTPD-MRXNPFEDSA-N 301.415 2.549 0 40 DFAB O=C(COc1ccccc1)Nc1ccc2c(c1)CCCC(=O)N2 252510272 ZFXHUIFYXYFKGV-UHFFFAOYSA-N 310.353 2.979 0 40 DFAB COC(=O)CCC(=O)c1cn(CC(=O)O)c2ccc(Cl)cc12 585090187 GGOHEHSRQCRALH-UHFFFAOYSA-N 323.732 2.515 0 40 DFAB Cc1ncc2c(n1)CN(Cc1cc(-c3ccccc3)no1)CC2 69420469 POWFQMITYOSIEQ-UHFFFAOYSA-N 306.369 2.998 0 40 DFAB Cc1nnc(CN(CCCO)[C@@H]2CCCc3ccccc32)o1 96455356 JXTMKOXXTVJKPQ-MRXNPFEDSA-N 301.390 2.640 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[C@@H](O)C1CC1 77107787 MMGMZOXCGXHSMA-CQSZACIVSA-N 311.809 2.775 0 40 DFAB COc1cc2ncnc(NCCCOC(C)C)c2cc1OC 5236343 IXYCVUPVPYNVQP-UHFFFAOYSA-N 305.378 2.874 0 40 DFAB biogenic CCCN(C)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 5838688 QFPWYNUIVJTZCK-GOSISDBHSA-N 317.433 2.748 0 40 DFAB O=C(Cc1cccc(F)c1)N1CCN(c2ccccc2F)CC1 19934926 ALFGIBYRJFSJMQ-UHFFFAOYSA-N 316.351 2.856 0 40 DFAB CC(C)c1cc(C(=O)Nc2cn(C)nc2-c2ccco2)n(C)n1 529841845 XIWPCSDQQIXUBB-UHFFFAOYSA-N 313.361 2.789 0 40 DFAB O=C(NCc1cccs1)NC[C@]1(O)CCCc2sccc21 1889130329 OAINGKWTWCXFJO-OAHLLOKOSA-N 322.455 2.833 0 40 DFAB CC[C@@H]1CO[C@]2(CCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1565552048 ZMOKGHJKZGTBLN-SCLBCKFNSA-N 319.401 2.735 0 40 DFAB Cc1ccc([C@H](CNS(=O)(=O)c2cccs2)N(C)C)cc1 10335055 FOOFOGQZWXEPSD-AWEZNQCLSA-N 324.471 2.638 0 40 DFAB O=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccccc1 23125794 DWTYJEBSDUZORS-UHFFFAOYSA-N 300.339 2.711 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc(Cl)cc1 75155647 NTCDHMVJMSAVIT-KRWDZBQOSA-N 301.773 2.904 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C(=O)O)C(C)C 33456858 VJKSGHTZAKUSTQ-GFCCVEGCSA-N 318.398 2.958 0 40 DFAB CC[C@H]1CN(C(=O)c2sc(-c3ccccn3)nc2C)CCO1 30853848 SGLAZYHAPYMGFA-LBPRGKRZSA-N 317.414 2.765 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)c2ccc(F)c(Cl)c2)no1 31657099 RUPDRPBHISSHRZ-UHFFFAOYSA-N 318.757 2.596 0 40 DFAB Cc1ccc2[nH]c(SCC(=O)NCc3cccnc3)nc2c1 20407745 AALAVBHKDBIOCW-UHFFFAOYSA-N 312.398 2.675 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1nccs1 51357224 PCAACLQMCANSBJ-UHFFFAOYSA-N 314.725 2.731 0 40 DFAB Cc1cc(OCc2nnc(SCC(=O)O)o2)ccc1Cl 421343 SOVGELXLZHOZCP-UHFFFAOYSA-N 314.750 2.787 0 40 DFAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 304444 XHTFMTBMSMVUHO-UHFFFAOYSA-N 324.446 2.988 0 40 DFAB C[C@@H]1C[C@@H](OC(=O)c2ccc(COc3ccccc3)o2)C(=O)O1 32736569 WEYPEJGBIHNUNX-IAQYHMDHSA-N 316.309 2.719 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850511 TVQCYIVYSHLZAB-UHFFFAOYSA-N 324.355 2.842 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1F 6767435 BQXNTYUIQHPKJM-UHFFFAOYSA-N 314.364 2.779 0 40 DFAB OCCCc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 60042957 FCJPPIOJAVQHNS-KRWDZBQOSA-N 314.360 2.834 0 40 DFAB Cc1cc(C(=O)NCCN(C)c2ccccc2)c2c(C)noc2n1 32870560 AKGMOHNIADOOOD-UHFFFAOYSA-N 324.384 2.706 0 40 DFAB C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1 21685939 KNESXQZDXWQEMR-LBPRGKRZSA-N 307.365 2.749 0 40 DFAB Cc1ccsc1C(=O)N(CCC(N)=O)Cc1ccccc1 53335950 ZMORTPCCJVMRHH-UHFFFAOYSA-N 302.399 2.574 0 40 DFAB CCc1nc2ccc(C(=O)Nc3nncs3)cc2nc1CC 22704858 SJBVEZFSRCHMGW-UHFFFAOYSA-N 313.386 2.858 0 40 DFAB CN(C)c1ccc(NC(=O)c2cncc(Br)c2)cn1 22396569 SIGFZJWQGITVQN-UHFFFAOYSA-N 321.178 2.557 0 40 DFAB O=C(NCCCn1ccnc1)Nc1nc2ccccc2s1 22892820 IOZORNYCVLSYOP-UHFFFAOYSA-N 301.375 2.705 0 40 DFAB CC[C@H]1CN(C(=O)c2cnn(C3CCCCC3)c2)C[C@H]1N(C)C 89948576 OHJWYYPOVIZNDI-WMLDXEAASA-N 318.465 2.801 0 40 DFAB COc1ccc(NC(=O)c2cn3ccc(C)cc3n2)c(OC)c1 928606 GRGSBWISMIPLTF-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB CCc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 981703 ASOOXBAWLHRAHV-QQMDNXKGSA-N 319.382 2.847 0 40 DFAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)no1 23387302 KLJZMLJMEVCGHE-VHSXEESVSA-N 306.284 2.599 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NCC1(N(C)C)CCCC1 42766743 UMPCDDSCTCJWEF-HNNXBMFYSA-N 304.434 2.582 0 40 DFAB COCCNC(=O)C1(c2ccc(Br)cc2)CCC1 24259012 LPPQVYXAZRFDSW-UHFFFAOYSA-N 312.207 2.633 0 40 DFAB CCCc1noc(CN2CCC[C@@H]2c2noc(C3CC3)n2)n1 76047483 WWSAZEDYKUXPNX-LLVKDONJSA-N 303.366 2.620 0 40 DFAB Cc1ncoc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 76094759 TXIYZQTXPLFECC-HNNXBMFYSA-N 300.358 2.569 0 40 DFAB O=C(c1ccc(Cl)cn1)N1CCOC[C@H]1c1ccccc1 76068296 QQAJMMURZOWZHI-HNNXBMFYSA-N 302.761 2.949 0 40 DFAB Cc1cc(CN(C)C(=O)c2csc(-c3ccco3)n2)no1 25138797 FSNYCRXVBHFHKT-UHFFFAOYSA-N 303.343 2.972 0 40 DFAB COc1cc(CN[C@H](C)c2ccccn2)cc2c1OCCO2 25359194 SBKZCXMMWOGVFN-GFCCVEGCSA-N 300.358 2.712 0 40 DFAB CCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 57001212 HXVKTWUJTRDNCL-UHFFFAOYSA-N 304.409 2.705 0 40 DFAB COc1ccc(-c2csc(-n3nc(C)cc3N)n2)cc1OC 26421124 QLZAHASYSNCGIN-UHFFFAOYSA-N 316.386 2.904 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@@H](C)C1 78897232 FFZSEKRMUXVZTA-SMDDNHRTSA-N 307.463 2.757 0 40 DFAB CCCCc1ccc(N2C[C@@H](C(=O)NCCC)CC2=O)cc1 35655448 SNRMHULAJYPCQZ-HNNXBMFYSA-N 302.418 2.908 0 40 DFAB Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H]2O)ccc1N1CCCC1 78936588 ZWZDDZQELDEXEF-YOEHRIQHSA-N 317.433 2.878 0 40 DFAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@H]1c1cccc(F)c1 58314816 UVFUTHHQAXNHRV-BZSNNMDCSA-N 323.408 2.519 0 40 DFAB C[C@@H]1CN(C(=O)CSc2cccc3cccnc23)CCO1 58342122 XVRMQJKGLSNSGO-GFCCVEGCSA-N 302.399 2.574 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)c1ccc(N(C)C)c(F)c1 58332391 FVZOXRRVTVBMGW-UHFFFAOYSA-N 305.353 2.769 0 40 DFAB O=S(=O)(NCCSC1CCCC1)c1ccccc1F 36393751 SVHSNHXOZUFKIK-UHFFFAOYSA-N 303.424 2.780 0 40 DFAB COc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)c3ccccc3N2)cc1 28795514 DJTWHXVOJQTXKS-KRWDZBQOSA-N 320.352 2.939 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)Nc1cccc(OC)c1 3423577 DFPQHCJSMHXAQR-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB CC(C)(C)c1nsc(NC(=O)c2ccc3[nH]cnc3c2)n1 69536416 GCXSRQMMCUHDDQ-UHFFFAOYSA-N 301.375 2.964 0 40 DFAB Cc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)n(C)n1 49674536 FTMARCJOOUOIFE-UHFFFAOYSA-N 313.279 2.808 0 40 DFAB COc1cccc(-c2ncc([C@H]3NCCc4nc[nH]c43)s2)c1 65408010 QBYGQUWNTVHBME-OAHLLOKOSA-N 312.398 2.777 0 40 DFAB Cc1cc(C(=O)OCC(=O)N2CCc3sccc3C2)c(C)o1 14215949 SPFARDONPPNNSJ-UHFFFAOYSA-N 319.382 2.700 0 40 DFAB CCn1c(O)c(C(=O)Nc2cc(C)ccn2)c(=O)c2ccccc21 6520079 HSJKZWPIXVXLIE-UHFFFAOYSA-N 323.352 2.683 0 40 DFAB CCCNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6788008 ODKJRAYHHRUTQO-UHFFFAOYSA-N 308.337 2.627 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)s2)NC(=O)N1 5786984 ZFTTZGKDRPMZQE-ZDUSSCGKSA-N 308.403 2.884 0 40 DFAB O=C(NCc1ccccc1F)C(=O)Nc1cnc2ccccc2c1 70718072 ABTLXFZPELJIGL-UHFFFAOYSA-N 323.327 2.629 0 40 DFAB CCc1sc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1C 7118371 ZWQRLFAFHIDJPF-UHFFFAOYSA-N 304.415 2.854 0 40 DFAB Cc1nnc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)s1 81164906 XRELOOMBISLZGW-SNVBAGLBSA-N 317.418 2.719 0 40 DFAB CN(C)C(=O)CN(C)C(=O)Cc1coc2ccc3ccccc3c12 8096476 MXUMZHKQRUCJDT-UHFFFAOYSA-N 324.380 2.675 0 40 DFAB C[C@@H](Sc1nc(CN2CCCC2)nc2ccccc12)C(=O)O 19797495 PJVYUUJXCRCGEO-LLVKDONJSA-N 317.414 2.791 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 9367128 GYYNOPPTQLFPMW-OAHLLOKOSA-N 324.384 2.768 0 40 DFAB COCc1ccc(C(=O)N(C)CCOc2ccccc2F)o1 96989764 CVNYDZFPIBKIPB-UHFFFAOYSA-N 307.321 2.716 0 40 DFAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccco2)CC1 9470902 TVUTVTYGOUPUMW-UHFFFAOYSA-N 319.792 2.937 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2cn3c(C)cc(C)nc3n2)c1 71875806 ANCMSZUNIGXKLR-QGZVFWFLSA-N 324.432 2.516 0 40 DFAB C[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2ccccn2)CC1 71856740 GNIUOBBQWBDDOG-UKRRQHHQSA-N 302.422 2.538 0 40 DFAB CN(C(=O)c1ccc2c(c1O)OC(C)(C)C2)c1nccs1 94126514 VUCAPVMDWVXLRX-UHFFFAOYSA-N 304.371 2.839 0 40 DFAB Cc1cccnc1[C@H](NC(=O)N[C@H](C)Cn1ccnc1)C(C)C 71909192 KNIIPCDGLZPQPZ-HUUCEWRRSA-N 315.421 2.672 0 40 DFAB Cc1cc(OC[C@H](O)COc2ccc(Cl)cc2)nnc1C 71915839 DFZJTGJJASDWIF-CYBMUJFWSA-N 308.765 2.566 0 40 DFAB CCOC(=O)CC1(N(C)C(=O)c2cc(C)on2)CCCCC1 72295391 YCMUZOFMCVBMGR-UHFFFAOYSA-N 308.378 2.711 0 40 DFAB Cc1csc(N2CCC(Nc3ccc(C(N)=O)cc3)CC2)n1 97080827 CBABDYQZCATLRR-UHFFFAOYSA-N 316.430 2.631 0 40 DFAB Fc1cc2ncnc(N(C[C@H]3CCOC3)C3CC3)c2cc1F 97145562 ULFDAJVXSOJICP-SNVBAGLBSA-N 305.328 2.913 0 40 DFAB CCN1C[C@H](COC(=O)c2scnc2C2CCCC2)CC1=O 97136932 PBGCQACCBJEKAN-LLVKDONJSA-N 322.430 2.826 0 40 DFAB CN(C)C(=O)c1cccc(Cn2ccc3sccc3c2=O)c1 97236214 XPMBYNCSCFEPSO-UHFFFAOYSA-N 312.394 2.813 0 40 DFAB CC[C@H](Oc1ccc(NC(=O)C2CCCCC2)cc1)C(N)=O 97378066 BEPVGGJHWDQSSJ-HNNXBMFYSA-N 304.390 2.848 0 40 DFAB O=C(NCCC1=CCOCC1)c1c(F)c(F)cc(F)c1F 95436344 CNDPIIKGUBZGAO-UHFFFAOYSA-N 303.255 2.710 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC=CCC3)C2)cc1 95466087 VMHIHMDTVFIWJW-KRWDZBQOSA-N 312.413 2.636 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[C@H](O)C1CC1 95411420 BVLPQLAYFFWTSC-ZTFRIQLXSA-N 320.408 2.861 0 40 DFAB O=C(c1ccncc1)N1CCN(c2ccc(F)cc2Cl)CC1 95441577 OPSQOROTYOUAIN-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB COc1ccccc1[C@@H](NC(=O)c1ccc[nH]1)c1ccccn1 95446239 UGKAVWGLNQGCIW-QGZVFWFLSA-N 307.353 2.938 0 40 DFAB CSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(C)ccc1C)CC(=O)N2 21784282 SKNPVTVAOMEXSL-LLVKDONJSA-N 315.398 2.583 0 40 DFAB COC(=O)[C@H]1CCN(Cc2nnc(C(C)C)o2)c2ccccc21 95976186 GBERHAOARZSLHF-ZDUSSCGKSA-N 315.373 2.860 0 40 DFAB CC[C@H](NC(=O)N1c2ccccc2C[C@@H]1C)c1noc(C)n1 95963098 ZUHZBNHMLSEBST-GWCFXTLKSA-N 300.362 2.990 0 40 DFAB O=C(Cc1noc(Cc2ccccc2Cl)n1)NC1CCCC1 95959394 MQRAYLLMCKODJT-UHFFFAOYSA-N 319.792 2.915 0 40 DFAB C[C@H]1CCO[C@@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95971254 NISJPHNDJNUSHK-ZBEGNZNMSA-N 322.368 2.988 0 40 DFAB CC[C@](C)(NC(=O)c1cccc(C(=O)O)c1)c1nccs1 95976722 REENYVUUVFTFRL-HNNXBMFYSA-N 304.371 2.897 0 40 DFAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1NCCO 62719808 FVKQEUNKDSRJBE-UHFFFAOYSA-N 302.374 2.939 0 40 DFAB Cn1c2ccccc2n2c(SC[C@@H]3CCCCO3)nnc12 89749606 YSEODGIJKJLJRH-NSHDSACASA-N 302.403 2.882 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 118931237 ZAWMFAFHPALWCD-ROZXZSPTSA-N 308.462 2.722 0 40 DFAB COc1cccc(C(=O)NCCOc2cccc(C)c2)c1OC 21785092 OUKARINPDMEUAJ-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1ncon1 552481743 NAPCSIQTQQWYMW-HNNXBMFYSA-N 308.341 2.838 0 40 DFAB c1ccc(CN(Cc2cc[nH]n2)Cc2nnc3n2CCCC3)cc1 553703373 RCJJOFXYGYEBEG-UHFFFAOYSA-N 322.416 2.540 0 40 DFAB CCn1ncc(CNC(=O)Nc2sc(C)nc2CC(C)C)n1 529017625 BAZMIMKTHCEBAW-UHFFFAOYSA-N 322.438 2.583 0 40 DFAB O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccncc1 75040697 LMOODJJQVSZJBU-UHFFFAOYSA-N 313.288 2.552 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cn1ccc2ccccc21 71195584 ZMWBNKJFDMHGFY-HNNXBMFYSA-N 308.385 2.569 0 40 DFAB CC(C)[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccc1Cl 79357957 KIXUJWCHGBZQBX-CQSZACIVSA-N 317.838 2.588 0 40 DFAB Cc1ccc(-c2ccc3nnc([C@H]4CCCNC4)n3n2)cc1C 217560819 VBXHJHLOJRICEY-HNNXBMFYSA-N 307.401 2.875 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(Cl)nc1 72330787 NMTNLRVNFUGZJU-GFCCVEGCSA-N 310.781 2.683 0 40 DFAB O=C(O)c1cccc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1 563521874 OAUUIQNUTWEDEA-AWEZNQCLSA-N 320.295 2.636 0 40 DFAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC[C@@H]3C)cc2)C1 222531989 SQEGZYQAQCQUAM-KBPBESRZSA-N 316.401 2.591 0 40 DFAB Cc1ccccc1[C@H]1CN(C(=O)NCc2ccco2)CCO1 80569860 VKDONPDHNCHREF-MRXNPFEDSA-N 300.358 2.871 0 40 DFAB CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1 190183891 KYNCOSXUEUOZQL-SJCJKPOMSA-N 316.405 2.834 0 40 DFAB CCc1nc(CS[C@@H](C)C(=O)Nc2ccnn2C(C)C)no1 193626578 HEXITMWJNVQDPP-JTQLQIEISA-N 323.422 2.670 0 40 DFAB COCCNc1ccccc1CNC(=O)Cc1ccc(F)cc1 96461272 IMUVBBUTHDPJRZ-UHFFFAOYSA-N 316.376 2.743 0 40 DFAB O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccon1 91153434 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COC(=O)c1ccc(N[C@H](C)c2cccc(-n3cccn3)c2)nn1 96444380 LOMGOCNNEADJNT-GFCCVEGCSA-N 323.356 2.622 0 40 DFAB COCCOC1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1 96408522 DGADUYDHGXIWIB-UHFFFAOYSA-N 323.408 2.757 0 40 DFAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@H](C)C3)cc2C[C@H]1C 247930722 JQSQXGCRXLSEOA-IQUTYRLHSA-N 316.445 2.749 0 40 DFAB CN(C)c1ncc(-c2ccccc2F)c(C2CCNCC2)n1 257341451 ZKJLWAVZOMOLKN-UHFFFAOYSA-N 300.381 2.816 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)o1 65474565 CKUWUZPAUDVGCX-OLZOCXBDSA-N 306.406 2.802 0 40 DFAB COc1ccc(CNC(=O)c2ccc(Cn3cccn3)cc2)cc1 11407988 FAOQLCHVWQDUOA-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1ccc2nc3c(cc2c1)CN(C1CCC1)C(=O)[C@@H](C)O3 12115589 YMZBHSKUFCMKAN-LLVKDONJSA-N 312.369 2.905 0 40 DFAB CN(CCNC(=O)COc1ccc(Cl)cc1)c1ccccc1 12611677 REKJYULWSHAOOG-UHFFFAOYSA-N 318.804 2.971 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1nnc(-c2cccs2)o1 19344892 FPMIJRTTXZHUON-UHFFFAOYSA-N 317.345 2.796 0 40 DFAB CCOC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(C)=O 19721224 RTYRWKAOEITFME-GFCCVEGCSA-N 304.173 2.604 0 40 DFAB O=C(CC1CCCCC1)NCc1ccccc1Cn1cncn1 32818648 SOEIUFGEWOMYRM-UHFFFAOYSA-N 312.417 2.913 0 40 DFAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100046113 JVCWLPHGDRCCOH-VELAGECUSA-N 309.365 2.643 0 40 DFAB Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c1 8924505 FFPYSGRWSBKKIN-HNNXBMFYSA-N 308.381 2.778 0 40 DFAB COc1cccc(-c2cc(CC(=O)Nc3cc(C)on3)no2)c1 13574248 KTKCBWICXFKNDI-UHFFFAOYSA-N 313.313 2.828 0 40 DFAB CCCn1/c(=N/C(=O)C2CC2)sc2cc3c(cc21)OCO3 101061464 KOCXNHBDCDLTGW-NXVVXOECSA-N 304.371 2.679 0 40 DFAB CCc1nccn1CC1CN(c2ccc(C(F)(F)F)nc2)C1 2086861095 HEPCRTADGDDVNS-UHFFFAOYSA-N 310.323 2.996 0 40 DFAB CN(C(=O)Cc1ccc(F)cc1)c1ccc(CC(=O)O)cc1 20227147 IZQMOMJRUZLJQD-UHFFFAOYSA-N 301.317 2.658 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccn1 40490098 XLLCGLPVDQRSMK-GXFFZTMASA-N 313.332 2.524 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 1329908 DXMDRSVAMZJJNU-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB C[C@H]1CCCCN1C(=O)COc1ccc2ccc(=O)oc2c1 3376011 UYTIGOHEHUGOJG-LBPRGKRZSA-N 301.342 2.573 0 40 DFAB COc1ccc([C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1F 4312759 HPWOEUIFPHCWMH-NSHDSACASA-N 313.325 2.875 0 40 DFAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)O)c1ccc(F)cc1 11920127 PQMFIEZLKDVBJL-SECBINFHSA-N 306.318 2.649 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2cccs2)[C@@H]1C 32716598 WPEDLEPEFLWWPV-JHJVBQTASA-N 308.447 2.809 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H]2CCCC[C@H]21 46493241 LETNOGPXEZKBOD-HZPDHXFCSA-N 313.401 2.666 0 40 DFAB CC1(C)CN(S(=O)(=O)c2cccc3cnccc23)CCS1 81076501 JSJPHYBJSWAVPZ-UHFFFAOYSA-N 322.455 2.751 0 40 DFAB CCS(=O)(=O)C[C@@](C)(Cl)C(=O)Nc1ccc(Cl)cc1 501304 RUDFOYHIAOKTRT-GFCCVEGCSA-N 324.229 2.711 0 40 DFAB CC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccccc1 100975188 JNDHXHVEFLHIQQ-QXMHVHEDSA-N 305.341 2.948 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)NCC[C@H](O)c1ccccc1 81251690 KJKGYPMUQBAFOW-KRWDZBQOSA-N 323.396 2.735 0 40 DFAB CCn1ccnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C 53716861 OBVKNJRZMLMDJR-UHFFFAOYSA-N 321.450 2.665 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C)cc1 12542000 OUXACBMLHFAWTB-XCRHUMRWSA-N 305.418 2.797 0 40 DFAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1O 24115140 BEKIRTBQDHAZBY-UHFFFAOYSA-N 310.397 2.918 0 40 DFAB CN(C)CCCNC(=O)c1cccnc1NC1CCCCC1 24985168 RTCKYVINKVHBMN-UHFFFAOYSA-N 304.438 2.508 0 40 DFAB O=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)C1 63528490 BBBWTEUJXRQTHO-FQEVSTJZSA-N 321.424 2.962 0 40 DFAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1=COCCO1 25247873 VTWHXOPEFDBRCI-UHFFFAOYSA-N 317.341 2.945 0 40 DFAB Cc1ncc(CN(C)S(=O)(=O)/C=C/c2ccccc2)s1 56106895 BIVJVYLKRQNUFT-CMDGGOBGSA-N 308.428 2.884 0 40 DFAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3F)ccc21 21354965 IRKBFRGSCVJOKB-UHFFFAOYSA-N 302.330 2.991 0 40 DFAB Cc1cc(C)n(CCC(=O)N2CCC(c3ccncc3)CC2)n1 21115012 ALSDKKRXBIMYAZ-UHFFFAOYSA-N 312.417 2.691 0 40 DFAB CC(C)c1ccccc1NC(=O)CN1C(=O)C(=O)c2ccccc21 1892744 QCVDPSLSQWVFEK-UHFFFAOYSA-N 322.364 2.978 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H]1CCc2ccccc2C1 35629944 JMGPFPCMFPOHHV-ZIAGYGMSSA-N 305.374 2.769 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)NCCc2ccccc2F)c1 8166861 NFPQTSSQXLABLE-UHFFFAOYSA-N 307.390 2.964 0 40 DFAB CN1CCN(C(=O)c2cc(C3CC3)on2)[C@@H](c2ccccc2)C1 26937473 XQWRAYMMORAQRP-MRXNPFEDSA-N 311.385 2.681 0 40 DFAB O=C1CC2(CCC2)S(=O)(=O)c2cc(Br)ccc21 306145586 JHZHDBLWEUXPKH-UHFFFAOYSA-N 315.188 2.732 0 40 DFAB COc1cc(CNC(=O)c2sc(C(C)C)nc2C)ccn1 58246081 UMVRRDAIYJKUOL-UHFFFAOYSA-N 305.403 2.909 0 40 DFAB CCCCS[C@H](C)C(=O)NCc1cccc(NC(N)=O)c1 58247076 VANVYUSHNLLWSV-LLVKDONJSA-N 309.435 2.715 0 40 DFAB CCc1noc(C)c1C(=O)OCCc1c[nH]nc1C(F)(F)F 58341742 TYVXKDATIYOLGH-UHFFFAOYSA-N 317.267 2.687 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 12772395 RVHHUXXAJHJDOI-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB COCc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 58420312 LVSWOXYLRPFUPJ-QGZVFWFLSA-N 302.418 2.533 0 40 DFAB COc1ccc(-c2nnsc2C(=O)NC2CCCC2)cc1 36359059 JEBWWWCSXIOZLW-UHFFFAOYSA-N 303.387 2.886 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCC(=O)O)c1 8215288 PDISVTPHHNSUMY-GFCCVEGCSA-N 315.325 2.556 0 40 DFAB COc1ccc(NC(=O)N2CCOCC2)c(C(F)(F)F)c1 48550250 PCPRVQVQEOPTFK-UHFFFAOYSA-N 304.268 2.578 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 62912640 ZEBGJPNYUHVSIW-CYBMUJFWSA-N 301.264 2.642 0 40 DFAB COc1cc(CNC(=O)c2ccccc2F)cc(OC)c1OC 8361646 BYKXEFQXYKZHRK-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB CC(=O)Nc1cc(NC(=O)Cc2c(C)noc2C)ccc1C 48904425 GLGCUQWLJNLZAO-UHFFFAOYSA-N 301.346 2.739 0 40 DFAB C[C@H](NC(=O)COc1cc2ccccc2cc1C(=O)O)C1CC1 13317854 YWIDJYDYYOEAGM-NSHDSACASA-N 313.353 2.832 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1cc3cc(F)ccc3s1)C2 69484764 WZGDIPUWHDPLRW-UHFFFAOYSA-N 316.361 2.596 0 40 DFAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccn1 49958047 DDUSTDYOKUTBNC-CQSZACIVSA-N 312.369 2.774 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)n2ncnc2n1 69560500 WVEXJESYMAUKMO-CYBMUJFWSA-N 323.356 2.503 0 40 DFAB CN(Cc1cccnc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 69581536 QJLKWGFMWYLIBI-UHFFFAOYSA-N 323.396 2.727 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N(C(C)C)C(C)C)c1 13939871 YOUBCWNEIGRMPU-UHFFFAOYSA-N 301.408 2.511 0 40 DFAB COC[C@H](C)NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC 65434163 CTOOOXZAUGUDLX-WFASDCNBSA-N 322.405 2.585 0 40 DFAB Cc1ccc(CNC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1 14071544 NWBDCJRKMOFEAV-HNNXBMFYSA-N 310.397 2.820 0 40 DFAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCCC1 14201965 FNLVANIKJFCBIN-LBPRGKRZSA-N 310.806 2.765 0 40 DFAB COc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 5452340 FDIBJWGSXFCHOH-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB OC1(Cc2cc(Cl)ccc2Br)CCNCC1 309404498 FEODQLJPJDJLNE-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB Cc1cc(OCC(=O)Nc2cccnc2)c2c(C)cc(=O)oc2c1 6661886 KJUVTPGFMIBUMR-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB COc1cc(NC(=O)c2cc(Cl)c[nH]2)cc(OC)c1OC 8729246 VQKCFBZUGJOTJK-UHFFFAOYSA-N 310.737 2.946 0 40 DFAB C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1 90181701 LWCHNLNOIZXILS-PWSUYJOCSA-N 310.344 2.702 0 40 DFAB COc1ccc(OCCn2cnc3sccc3c2=O)cc1 7495135 QWQDOZLGPJCFNR-UHFFFAOYSA-N 302.355 2.546 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@@H]2CCOC2)C1 89894268 VGEIEQGOIVTJCM-KKUMJFAQSA-N 312.454 2.648 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1 71186001 YVCLHPQLNFPSOP-AWEZNQCLSA-N 321.384 2.612 0 40 DFAB COC(=O)CSc1nc(-c2ccccc2)nc(C)c1C(C)=O 9184077 KSZDGKGPAACVII-UHFFFAOYSA-N 316.382 2.920 0 40 DFAB Cc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)n1 96001172 OZONGCDENCJOEY-AWEZNQCLSA-N 300.362 2.839 0 40 DFAB CCCCC(=O)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000845 DMZXYIHFGXPHTK-AWEZNQCLSA-N 315.373 2.827 0 40 DFAB CN(Cc1ccc2ccccc2c1)S(=O)(=O)[C@H]1CCCOC1 96003805 NHIPMBGETNHWLJ-KRWDZBQOSA-N 319.426 2.780 0 40 DFAB Cn1cc(NC2CCN(CCc3ccc(F)cc3)CC2)cn1 96006935 BRGHSLYTJRCZKW-UHFFFAOYSA-N 302.397 2.678 0 40 DFAB CCOC(=O)c1sc(CNC(=O)c2ccccc2)nc1C 9314656 CRMDWFNRLCMIQG-UHFFFAOYSA-N 304.371 2.558 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)c1nn(C)c(=O)c2ccccc12 9450556 PTZYJOJKZDUWFV-CYBMUJFWSA-N 321.380 2.767 0 40 DFAB C[C@@H](c1cnn(C)c1)N(C)C(=O)NCc1ccc2c(c1)CCC2 96494681 BLQHOSNKLQENGW-ZDUSSCGKSA-N 312.417 2.811 0 40 DFAB C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1N1CCCCC1 96496667 ALZWOWHSNNCPSY-GOEBONIOSA-N 302.418 2.718 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 72281029 RHTQHCZQHVOGOX-INIZCTEOSA-N 315.373 2.616 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)c1cccc2ncccc12 72281123 UQRZVEQAONCZPB-NRFANRHFSA-N 304.415 2.512 0 40 DFAB CCn1ccnc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 83843621 PQUSITZUUPGXOH-CYBMUJFWSA-N 301.394 2.543 0 40 DFAB CN1c2ccccc2C(=O)N[C@H]1c1cn2cc(Cl)ccc2n1 83881770 XRKIMGTUNZXTKB-OAHLLOKOSA-N 312.760 2.866 0 40 DFAB C[C@H](CCNC(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 71914977 GOTYRLRVISFKEZ-DGCLKSJQSA-N 318.339 2.793 0 40 DFAB CCn1c(C)cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c1C 9691375 XLUNTAXNVXFEOD-UHFFFAOYSA-N 316.401 2.627 0 40 DFAB COc1cc(CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1O 97034704 GMMOZDCFCXQNIZ-QGTPRVQTSA-N 317.429 2.881 0 40 DFAB Cc1ccc(/C=C/CC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 97079984 CRMBNEZCKVGAIT-KZSQQDEKSA-N 312.413 2.525 0 40 DFAB C[C@@H](NCc1noc(C2CC2)n1)c1ccc(-n2ccnc2)cc1 97083982 HFHIKDPKPXNLCH-GFCCVEGCSA-N 309.373 2.984 0 40 DFAB Fc1cc2nc(N3CCOCC3)ccc2cc1Br 72307753 NEEUJTHJPWVGPQ-UHFFFAOYSA-N 311.154 2.973 0 40 DFAB C[C@H](NC(=O)NCc1ccco1)[C@H]1CCCN(C2CCC2)C1 97237073 VJVZRRAHUGQMFY-KBPBESRZSA-N 305.422 2.732 0 40 DFAB Cc1nc2n(c1C)CCN(C[C@@H](O)c1ccc(Cl)cc1)C2 97201055 JUSKTQABIAXHFM-OAHLLOKOSA-N 305.809 2.703 0 40 DFAB Cn1c(C2CC2)nc2c1CCN(CCOc1cccc(F)c1)C2 84310865 VVLOBPHERSNIMU-UHFFFAOYSA-N 315.392 2.874 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2ccn[nH]2)C1 84579350 AWIYXIRFZFPPCB-CQSZACIVSA-N 309.369 2.592 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2)CC1 97681364 FEADHQNTTOSHNZ-UHFFFAOYSA-N 311.385 2.582 0 40 DFAB Cc1cc(N)n(-c2cc(NCc3ccc(C)c(F)c3)ncn2)n1 79048166 KGVCVFDZCXQUOJ-UHFFFAOYSA-N 312.352 2.613 0 40 DFAB NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 73386508 BKJZTGNWGXIKCM-UHFFFAOYSA-N 306.369 2.767 0 40 DFAB CN1CCC(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 73846490 BWPYIGQIKAVVKE-HNNXBMFYSA-N 304.409 2.559 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1C 95964928 CDSBAMHFZFNOTO-AWEZNQCLSA-N 319.430 2.595 0 40 DFAB CS[C@@H](C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95977554 PZZWOVADVMXEMR-QPUJVOFHSA-N 320.817 2.563 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ncccc32)c(F)c1 89616784 WVSGOENDXYUWBE-LLVKDONJSA-N 322.361 2.505 0 40 DFAB CCc1cc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(C)nn1 544745384 DIYSFZIFMLACTA-INIZCTEOSA-N 324.428 2.746 0 40 DFAB CCc1ccc2c(c1)CCN(C(=O)N[C@H]1CCn3ccnc31)C2 1548454031 ZEZRGSFQHWBIJD-INIZCTEOSA-N 310.401 2.658 0 40 DFAB Cc1cnn(-c2ccc(C(=O)NC(C)(C)c3cnn(C)c3)cc2)c1 547410157 DLWNPJRWJYGXFM-UHFFFAOYSA-N 323.400 2.579 0 40 DFAB CCOC(=O)C(C)(C)[C@@]1(c2ccc(OC)cc2)CCC(=O)O1 3843416 APNWZQPAXNBSGQ-KRWDZBQOSA-N 306.358 2.817 0 40 DFAB biogenic CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241869 DNARPIMQAQEFOG-GOEBONIOSA-N 306.381 2.652 0 40 DFAB Cc1c(Cl)cccc1-c1ccc(CNCCNC[C@@H](C)O)o1 32541285 MMGJLGOEAIHWKJ-GFCCVEGCSA-N 322.836 2.968 0 40 DFAB CN(CC1(O)CCOCC1)C(=O)NCC1(C)CCCCCC1 186573171 NCGZEAOWKZYLEL-UHFFFAOYSA-N 312.454 2.530 0 40 DFAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC 223149225 YWZUWRTUOKOHPF-AWEZNQCLSA-N 310.825 2.993 0 40 DFAB O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 62134624 IOWVCGUSMPZAHW-VIFPVBQESA-N 304.173 2.779 0 40 DFAB C[C@@](O)(CNC(=O)/C=C/c1cccc(F)c1)c1cccs1 80879421 AZPCICXAONOKCP-KXPUMZMLSA-N 305.374 2.924 0 40 DFAB CC(C)c1cnc(CN(CCC(N)=O)c2ccc(F)cc2)o1 96419571 DKPGLHJERAOHNT-UHFFFAOYSA-N 305.353 2.819 0 40 DFAB Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCCOC2)cc1 95409897 GWLXOEOAEZAQMO-BBRMVZONSA-N 313.401 2.785 0 40 DFAB CN(c1ccccc1NCCCS(C)(=O)=O)C1CCCC1 96476403 JKSFEPCXZATWAY-UHFFFAOYSA-N 310.463 2.912 0 40 DFAB Cc1ccc(NC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)c(C)c1 97212740 ATBUGABBTSHPIA-OAHLLOKOSA-N 312.417 2.845 0 40 DFAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)NC(C)C)C2)CC1=O 96238637 MFBXDTFJSSMLCY-SFHVURJKSA-N 315.417 2.542 0 40 DFAB COc1cc2nc(NCc3c[nH]nc3C)sc2cc1OC 538507878 JPMQKSARDRIIIO-UHFFFAOYSA-N 304.375 2.957 0 40 DFAB CC(C)C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257306655 SVGAYZOEIFNIDN-QGZVFWFLSA-N 316.445 2.929 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 257299219 RPDWTMXTFXJKHC-CYBMUJFWSA-N 313.405 2.537 0 40 DFAB O=C(N1CCC[C@H](Cc2ccn[nH]2)C1)C1(c2ccccc2)CC1 257240397 HTGIALFCPKWNPX-OAHLLOKOSA-N 309.413 2.923 0 40 DFAB Cc1ccc(CCNC(=O)c2cnccc2C(F)(F)F)cn1 567247556 KLTQZYIQIFSUST-UHFFFAOYSA-N 309.291 2.776 0 40 DFAB C[C@H](CC(=O)O)CC(=O)N1CCC(Oc2ccc(F)cc2)CC1 578206122 ICMLZCCSKHTJEB-LBPRGKRZSA-N 323.364 2.696 0 40 DFAB Cc1noc([C@H]2CCC3(CCN(C(=O)C4CC(C)C4)CC3)O2)n1 585113494 QSKOPWMHWDIQQQ-UXUKBGGZSA-N 319.405 2.637 0 40 DFAB Cn1cc([C@H]2CCCN(C(=O)NCc3cccs3)C2)cn1 681286819 HIBCEECWULEUKU-LBPRGKRZSA-N 304.419 2.571 0 40 DFAB CCCN(C(=O)CN1CCc2cncnc2C1)C1=CCCCC1 69489776 HDPVFZVICLOCPC-UHFFFAOYSA-N 314.433 2.531 0 40 DFAB CO[C@H]1CCN(C2CCN(C(=O)Nc3ccc(C)cc3)CC2)C1 1565522660 MQZZUXMRDWFCES-KRWDZBQOSA-N 317.433 2.712 0 40 DFAB CNC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 8091862 KSFCTRDXKGTOQS-UQCOIBPSSA-N 300.101 2.555 0 40 DFAB O=C(c1ccccn1)N1CCO[C@@H](Cc2ccc(Cl)cc2)C1 607855038 DHMIKXNEICKGEM-HNNXBMFYSA-N 316.788 2.819 0 40 DFAB O=C(NCC1CCN(C2CCOCC2)CC1)Nc1cccs1 225566053 LUNJFJQFHJCYIS-UHFFFAOYSA-N 323.462 2.761 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)Cc1ccccc1C(=O)O 580719562 GCIRFYLQKLWPKK-UHFFFAOYSA-N 313.353 2.788 0 40 DFAB O=C(c1cc2ccccc2c(=O)[nH]1)N(Cc1ccco1)C1CC1 29270085 KRXDZSZUFSZYNC-UHFFFAOYSA-N 308.337 2.926 0 40 DFAB CC[C@H]1CN(CC(=O)c2ccc(Br)cc2)CCO1 31624159 JEYPDMDXMUDFDY-ZDUSSCGKSA-N 312.207 2.743 0 40 DFAB Cn1cccc1-c1noc(CNC(=O)c2ccccc2Cl)n1 225766989 ZJGKPHOEJUODCC-UHFFFAOYSA-N 316.748 2.659 0 40 DFAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)o2)o1 978568 FDDCHCDFWJAQOL-UHFFFAOYSA-N 317.326 2.804 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1ccccn1)c1ccc(Cl)cc1 40033548 KZXMHGIICRCQAQ-AWEZNQCLSA-N 317.776 2.941 0 40 DFAB CC(C)NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 100794298 UXYHXRBLJCKKNE-QRTARXTBSA-N 312.413 2.653 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Nc1ccccc1 40556194 AQKQCGGFDHLHOT-LBPRGKRZSA-N 307.419 2.508 0 40 DFAB COC[C@@H](C)OCc1cc2c(cc1Br)OCO2 1656189 PGOLGTFZXIKJOU-MRVPVSSYSA-N 303.152 2.729 0 40 DFAB CCCCCC(=O)NC(=S)Nc1ccccc1C(=O)OC 2052145 XSMUAAHGNWAWMO-UHFFFAOYSA-N 308.403 2.867 0 40 DFAB O=C(O)c1cnn2c(-c3ccc(OC(F)F)cc3)ccnc12 2785158 VYXHUAFFJYUSEJ-UHFFFAOYSA-N 305.240 2.696 0 40 DFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 3055329 HVSOJROLGNWGOS-UHFFFAOYSA-N 312.369 2.705 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)Oc1ccc(-c2nnco2)cc1 32876583 BFTNQXIRJBWULW-UHFFFAOYSA-N 318.720 2.651 0 40 DFAB c1csc(-c2cc(CN3CCC[C@@H]3Cn3cncn3)no2)c1 69621792 DHWBKZVGOGEWTG-CYBMUJFWSA-N 315.402 2.659 0 40 DFAB CN(C(=O)CN(C)[C@H](c1ccccc1)C(F)(F)F)C1CC1 69664528 CVDORGITQONGHR-CQSZACIVSA-N 300.324 2.843 0 40 DFAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCC(C)C 32908142 VBARYVJKOSIHON-UHFFFAOYSA-N 321.446 2.729 0 40 DFAB CNC(=O)c1ccccc1NC(=O)[C@H](C)OCc1ccccc1 32955677 FDPWKLIVXOKJOP-ZDUSSCGKSA-N 312.369 2.590 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(Cl)cc1 8222067 ACSDIQUQWWAVGW-BXUZGUMPSA-N 308.809 2.651 0 40 DFAB CC(C)NC(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl 52719297 JBGQKBXNECCXDK-UHFFFAOYSA-N 309.719 2.715 0 40 DFAB Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1-n1cnnn1 33083328 SLYFDMTZPDJSFX-UHFFFAOYSA-N 321.384 2.887 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 33144907 ARIRWZDWGMSHRI-MRXNPFEDSA-N 324.336 2.605 0 40 DFAB O=c1/c(=C/c2ccccc2F)sc2nnc(-c3ccccc3)n12 532459 XYTSOASPLROMKF-UVTDQMKNSA-N 323.352 2.505 0 40 DFAB CC(C)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 9143482 HSNZPVUFEIQPJL-UHFFFAOYSA-N 303.387 2.624 0 40 DFAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ncccc1O 22265301 CYRJPMRZJOEFSC-UHFFFAOYSA-N 314.341 2.706 0 40 DFAB Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)cnn1C 42003493 KLLTUEDKJSZYQB-UHFFFAOYSA-N 313.401 2.550 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)NCC2(N(C)C)CCCC2)c1 46701575 KYVWGXWWQNPGNL-HNNXBMFYSA-N 304.434 2.753 0 40 DFAB CC(C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 22883623 HJLRTEMFSJRKIO-DZPQGLOJSA-N 318.461 2.718 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([S@](C)=O)cc1 47009827 NQBOFHVMVPFCOG-JFUMZLFPSA-N 323.458 2.749 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)Cc3c[nH]c4ccccc34)cc12 24032577 YBAJNPLGURZEGM-UHFFFAOYSA-N 319.368 2.939 0 40 DFAB COc1cccc([C@H](C)Sc2nnc(Cn3cncn3)o2)c1 79052090 MEMAOKSVXLUJER-JTQLQIEISA-N 317.374 2.571 0 40 DFAB CCn1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 24577039 HVMWCVQUZSYXMG-UHFFFAOYSA-N 319.308 2.723 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccc[nH]1)C2 102727153 OJZRTGWGRJQWCD-STQMWFEESA-N 319.405 2.675 0 40 DFAB CCN(CC)c1ccc(NC(=O)CSc2nccn2C)cc1 12563608 HXKHSLGPZPREKB-UHFFFAOYSA-N 318.446 2.997 0 40 DFAB COc1ccc(OC)c(CC(=O)NCc2ccc(F)cc2)c1 20029782 HAFGHNDWEZBHTE-UHFFFAOYSA-N 303.333 2.702 0 40 DFAB COCc1c(C(=O)Nc2nc[nH]n2)sc2cccc(F)c12 26261284 ASSZSUVOENFAJY-UHFFFAOYSA-N 306.322 2.557 0 40 DFAB COc1ccc(SCC(=O)Nc2ccccc2C(N)=O)cc1 20488574 OXQZHHIYBPLDRY-UHFFFAOYSA-N 316.382 2.525 0 40 DFAB O=C(NCc1nccn1Cc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 110639438 HCLFFLJQSMJZHI-ULQDDVLXSA-N 324.428 2.919 0 40 DFAB COCc1c(C(=O)N2CCN(C)C[C@H]2C)sc2ccccc12 89938269 LGVSOHKZFHZTIU-GFCCVEGCSA-N 318.442 2.824 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)c2ccc3ccccc3c2)nc1 27643621 VQQOJMVTSWJPLQ-UHFFFAOYSA-N 319.364 2.912 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n[nH]1 76060082 APJZVMJOFTVYOH-LSDHHAIUSA-N 305.422 2.773 0 40 DFAB C[C@@H](CCc1cccn1C)Nc1ncc(C(N)=O)cc1Cl 76064121 MLZFHHFQFGPXRP-JTQLQIEISA-N 306.797 2.606 0 40 DFAB CN(C)c1ccc(NC(=O)NCCc2cccc(F)c2)cn1 48091452 OIQFGUNZURRPIG-UHFFFAOYSA-N 302.353 2.651 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1cccnc1 48172189 QNFNMUKHWUGOKG-ZDUSSCGKSA-N 311.389 2.960 0 40 DFAB CC(C)N(Cc1ccccn1)C(=O)c1ccnc(-n2ccnc2)c1 58343206 WACCKIDUMWFMIK-UHFFFAOYSA-N 321.384 2.713 0 40 DFAB Cn1nc2c(c1NC(=O)/C=C/c1c(F)cccc1F)CCC2 58423740 KEJAFVQLSAHCFV-CMDGGOBGSA-N 303.312 2.839 0 40 DFAB O=C(C[C@@H]1CCCO1)NCCCC(=O)Nc1ccc(Cl)cc1 58438333 KBVXDOKZQNJXRR-AWEZNQCLSA-N 324.808 2.744 0 40 DFAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC(C)C)c1C 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5675450 KVCLJVWOAWYRGT-CQSZACIVSA-N 305.280 2.911 0 40 DFAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898753 SQKZXEKPEAJUBA-INIZCTEOSA-N 301.365 2.999 0 40 DFAB biogenic,in-vitro COc1cc(C)ccc1S(=O)(=O)Nc1ccc(Cl)cn1 4970543 BESCQRXZRWLWGT-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB Cc1ccc(CN(C)C(=O)CSc2nnc(C)n2C2CC2)o1 7533643 RTDXIGQQLPPSBL-UHFFFAOYSA-N 320.418 2.574 0 40 DFAB O=C(CCc1ccc2c(c1)CCO2)NCCc1cccs1 68741258 WAMDKICNFZXPIA-UHFFFAOYSA-N 301.411 2.975 0 40 DFAB CN1CCN(C)c2cc(NC(=O)Nc3cccnc3)ccc2C1 91043403 ZSTOXNRLIJFXHK-UHFFFAOYSA-N 311.389 2.607 0 40 DFAB COCCn1cc2c(n1)[C@H](NCc1cccc(F)c1)CCC2 96002708 CPVOBTIFJGBVPH-MRXNPFEDSA-N 303.381 2.836 0 40 DFAB CC(C)CNS(=O)(=O)c1ccc(Br)cc1F 96171305 YJXLSXZQELOQJF-UHFFFAOYSA-N 310.188 2.523 0 40 DFAB c1cc(CN2CC[C@@H](CN3CCCCC3)C2)c2c(c1)OCO2 93683506 PTOARQZVARYBGL-HNNXBMFYSA-N 302.418 2.723 0 40 DFAB C[C@H](c1ccncc1)N1CCN(C(=O)CC2CCCC2)CC1 71896955 FKNPDLZVVXCMJE-OAHLLOKOSA-N 301.434 2.867 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)c2[nH]ncc2c1 71869986 KHKDRQIBGOGQHU-OAHLLOKOSA-N 323.400 2.681 0 40 DFAB Cc1n[nH]cc1CN[C@@H](C(=O)N1CCCCC1)c1ccccc1 71837241 ZGDDUZXRRSMMPX-QGZVFWFLSA-N 312.417 2.562 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C[C@H](O)c2ccco2)c1C 84007919 ZPOQUIREUKIYIB-ZANVPECISA-N 318.373 2.669 0 40 DFAB CCn1nc(C)c(NC(=O)CN2CCc3sccc3C2)c1C 83836716 YPFFCRLWJBUORS-UHFFFAOYSA-N 318.446 2.578 0 40 DFAB C[C@@H]1NCCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595812 NUPHTDGZNNRLKW-QPUJVOFHSA-N 304.287 2.715 0 40 DFAB CC(C)c1nc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)no1 72232138 UREYJJIBCFIJRJ-KGLIPLIRSA-N 321.421 2.858 0 40 DFAB CNC(=O)[C@@H]1CCCCN1Cc1cccn1Cc1cccs1 97032651 YIZVNXUUIXGFOL-INIZCTEOSA-N 317.458 2.698 0 40 DFAB Cc1cnc([C@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)s1 84259479 RRMGYDLKAMLQBB-CYBMUJFWSA-N 302.403 2.933 0 40 DFAB CC(C)C[C@H](C)NC(=O)N1CCN([C@H](C)c2ccccn2)CC1 97143139 JHHIGIQSVLKZFK-JKSUJKDBSA-N 318.465 2.904 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@H]1CCc2nccn2C1 97197619 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C[C@@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)C1CCC1 95943354 FGUCJNPNMFMQHY-HUUCEWRRSA-N 316.449 2.658 0 40 DFAB Cc1cccc2nc(CNc3cc(C(N)=O)c(F)cc3F)cn12 75092088 YAKQIVFXHJWAQN-UHFFFAOYSA-N 316.311 2.632 0 40 DFAB c1ccc2c(c1)CCC[C@H]2Sc1nnc(Cn2cncn2)o1 75105228 AUNAMZKNOQJSLT-CYBMUJFWSA-N 313.386 2.879 0 40 DFAB Cc1ccccc1[C@H](NC(=O)N(CCO)CC1CC1)C1CC1 89689158 SBLOEDHDKMYAIY-QGZVFWFLSA-N 302.418 2.860 0 40 DFAB CC(C)(C)OC(=O)N1CCC(CNc2ncccc2N)CC1 67800712 SGCUHZUPCGCBRN-UHFFFAOYSA-N 306.410 2.723 0 40 DFAB COc1ccc(CN2CCC[C@H](Cc3ccc(N)nn3)C2)cc1 72387381 NXWCPWHXNSCEBB-OAHLLOKOSA-N 312.417 2.522 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1 79001803 YOWIRVMUXUISKI-CVEARBPZSA-N 315.417 2.757 0 40 DFAB CCc1sc(-n2cccc2)nc1C(=O)NCc1cccnc1 1565524149 BTBAHIJTJQJUOU-UHFFFAOYSA-N 312.398 2.821 0 40 DFAB Cc1cc(CCNC(=O)COc2ccc(C(C)C)cc2)on1 77122570 BCVITTPIGHFIAM-UHFFFAOYSA-N 302.374 2.844 0 40 DFAB C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc(F)cc1 62021417 GGBJZKMCPIJTBU-GOSISDBHSA-N 301.361 2.939 0 40 DFAB C#CCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C(=O)O)CS1 75259983 RZYWFZDUDGLAAX-CZUORRHYSA-N 313.378 2.640 0 40 DFAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C 224643054 YKXRZWUQQDWQAM-GFCCVEGCSA-N 310.825 2.992 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@H](C)CC 225244831 ZORGHWAYEXOHEB-CHWSQXEVSA-N 308.397 2.868 0 40 DFAB C[C@@H](CC(=O)N[C@H](C)C(=O)O)c1ccccc1C(F)(F)F 225461696 ZFNONSHNAVVEPH-DTWKUNHWSA-N 303.280 2.788 0 40 DFAB CC(C)c1ccc(NC(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1F 190285210 VSPKDWSSBZQXKQ-RYUDHWBXSA-N 312.385 2.545 0 40 DFAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225691975 HBOSVABQAMLMOS-MRXNPFEDSA-N 309.362 2.684 0 40 DFAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 223036886 UYHLZXCFBQZLJW-HUUCEWRRSA-N 317.414 2.684 0 40 DFAB CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCS(=O)(=O)CC1 330707177 MIHSEOIWUXIQEM-AWEZNQCLSA-N 323.458 2.639 0 40 DFAB CCN(CC)Cc1nc(-c2ccc(Br)o2)no1 97104546 LOJUVVNNYREJEO-UHFFFAOYSA-N 300.156 2.934 0 40 DFAB CC[C@@](C)(NC(=O)c1ccnc(C(=O)OC)c1)c1ccccc1 96459224 MGBWSXDXTUVJJE-GOSISDBHSA-N 312.369 2.923 0 40 DFAB COCc1cnc2n1CCN(C(=O)c1sccc1C)[C@@H]2C 96109551 SPAJCVZIMNYZBU-LLVKDONJSA-N 305.403 2.616 0 40 DFAB CC(C)[C@@H]1N(C(=O)NCCc2cnccn2)CC12CCCC2 582710758 BQRCFSXWOQIXNP-HNNXBMFYSA-N 302.422 2.629 0 40 DFAB COC(=O)[C@@H](NCc1cc(=O)oc2cc(C)ccc12)C(C)(C)C 96461343 IRXBCHQHKAVHPO-MRXNPFEDSA-N 317.385 2.779 0 40 DFAB CCOC(=O)C1(NCc2nc(-c3ccoc3)no2)CCCCC1 96424460 CHCZBASLOMXXQN-UHFFFAOYSA-N 319.361 2.685 0 40 DFAB COc1ccc2cc(NC(=O)c3[nH]nc4c3CCC4)cnc2c1 95477713 SETGFRHAFHLOIE-UHFFFAOYSA-N 308.341 2.708 0 40 DFAB COc1ccc(CN2CCC(N3CCCC3=O)CC2)c(Cl)c1 96455479 JYMVZWSANRVZCV-UHFFFAOYSA-N 322.836 2.935 0 40 DFAB Cc1ccc(C[S@@](=O)[C@H](C)C(=O)NCC(F)(F)F)cc1C 95412204 HIWIPWCDTZYKRS-FIKIJFGZSA-N 321.364 2.619 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1)C2 96039076 IFJKWAPONOFHJG-MJGOQNOKSA-N 317.429 2.663 0 40 DFAB CCCCc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 96421826 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319.434 2.890 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(N2CCOC2=O)c1 257310839 UGVLGSCZKVXHFR-ZDUSSCGKSA-N 317.389 2.748 0 40 DFAB COCCNc1nc([C@@H]2CCCNC2)cc2cc(OC)ccc12 257315745 VCPGNHAJJJMSOT-CYBMUJFWSA-N 315.417 2.769 0 40 DFAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCC3)o2)c1 58366994 RSOPKZGIQJTSDY-UHFFFAOYSA-N 303.387 2.678 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1ccccc1 54771754 YBVMBSCLYZLBQE-MRXNPFEDSA-N 306.369 2.795 0 40 DFAB Cc1ccc(Cl)c(O[C@H](C)C(=O)/N=c2/sccn2C)c1 58345324 NPSANKXFSREOKK-LGMFZICMSA-N 310.806 2.943 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cnc(C)s3)C2)n1 69817790 JCIKCNRTQXWLHT-CQSZACIVSA-N 305.451 2.572 0 40 DFAB COc1ccc([C@@H](C)NCC[C@@H](C)O)c(Br)c1 97034542 OUSZWJBLDVHEDJ-NXEZZACHSA-N 302.212 2.879 0 40 DFAB Cc1cc(CS(=O)(=O)Cc2ncc(Cl)cc2Cl)on1 97161615 XAUQVTXWKKZGAZ-UHFFFAOYSA-N 321.185 2.800 0 40 DFAB COc1cccc(NC(=O)COc2ccc(C=O)cc2OC)c1 261773 YJQPNEHWFLBRFO-UHFFFAOYSA-N 315.325 2.534 0 40 DFAB COc1cc(/C=C/C(=O)N2CCCCC2)cc(OC)c1OC 730630 GGOVLAUMYLPYAZ-BQYQJAHWSA-N 305.374 2.738 0 40 DFAB Cc1ccc(S(=O)(=O)NC2CCC(F)(F)CC2)cc1F 341445479 CMSFSXKGTKTNRZ-UHFFFAOYSA-N 307.337 2.990 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 12543986 SNZFVAHJCPOZMY-MRXNPFEDSA-N 323.396 2.686 0 40 DFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)s1 13686839 GFOYXFOCZHFCCY-ZDUSSCGKSA-N 323.487 2.718 0 40 DFAB CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 14249815 VIGWATZAVUCABW-ZDUSSCGKSA-N 321.446 2.754 0 40 DFAB O=C1CC[C@@H](NCc2ccco2)[C@H](c2cc(F)cc(F)c2)N1 19342375 ZSBYCCYBJDESAY-ZBFHGGJFSA-N 306.312 2.667 0 40 DFAB O[C@@H](CN1CCN(c2nccs2)CC1)c1ccc(Cl)cc1 19656848 HFFNNVIYSMLOIR-AWEZNQCLSA-N 323.849 2.652 0 40 DFAB Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@H]1CNCCO1 157612377 YUIHUEQYQIUGRQ-NVXWUHKLSA-N 304.434 2.577 0 40 DFAB O[C@@]1(CNc2cc(C3CCC3)ncn2)CCOc2ccccc21 1776001792 MCTABLMZJURRMC-GOSISDBHSA-N 311.385 2.826 0 40 DFAB CC(C)NC[C@H](O)COCCOc1ccc(C(C)(C)C)cc1 4279116 ORWAENHUHUVZBY-INIZCTEOSA-N 309.450 2.738 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1 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312.350 2.806 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12906320 JEHWZDUKNZCYQZ-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c(C)c1 3607801 WNCVMFSXYFPICY-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB O=C(O)c1ccc(CCNC(=O)c2c(F)cccc2F)cc1 13442653 ZMZMENXPJOHVAB-UHFFFAOYSA-N 305.280 2.636 0 40 DFAB CC(C)(C)c1ncc(NC(=O)[C@@H]2COc3ccccc3O2)cn1 63819467 UIYXUIHGGHVJAV-AWEZNQCLSA-N 313.357 2.553 0 40 DFAB O=C(OCc1noc(-c2ccsc2)n1)c1ccc(O)cc1O 39554411 GIAGYCRJAWZYRC-UHFFFAOYSA-N 318.310 2.566 0 40 DFAB COCCCN1CCCN(C(=O)Nc2ccc(C)cc2)CC1 65564740 DYUDRDIWICRMCM-UHFFFAOYSA-N 305.422 2.571 0 40 DFAB c1coc(CN2CN=C(Nc3nc4ccccc4s3)NC2)c1 5906196 XNOURKYIGSXGQI-UHFFFAOYSA-N 313.386 2.678 0 40 DFAB CC[C@@H](Nc1ccc(OC)cc1)C(=O)Nc1nnc(C)s1 7467737 CXSDOIOQUMSMFN-GFCCVEGCSA-N 306.391 2.684 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cn1 96005786 SGRLTOWLSYPBET-CYBMUJFWSA-N 322.386 2.599 0 40 DFAB O=C(CN1CCCC1=O)Nc1ccc(N2CCCCCC2)cc1 8146620 COTYJINDZWOPJD-UHFFFAOYSA-N 315.417 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IFMBKQQAWBBGRP-UHFFFAOYSA-N 314.389 2.531 0 40 DFAB COc1cc(OC)cc(N2CC[C@@H](Nc3nc(C)ns3)C2)c1 84286892 YFTYDEPPEILSFL-LLVKDONJSA-N 320.418 2.555 0 40 DFAB CCn1ccnc1Sc1cc(C(F)(F)F)nc2ncnn12 76576369 DFENQRURLHLTDP-UHFFFAOYSA-N 314.296 2.511 0 40 DFAB CCc1nncn1CCN[C@H]1CC2(CCC2)Oc2ccccc21 95423462 BVPGJDGOQUVQKQ-HNNXBMFYSA-N 312.417 2.877 0 40 DFAB CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1 95439922 LETQKWKHEMAYEJ-HNNXBMFYSA-N 317.385 2.970 0 40 DFAB Fc1cc(NCc2cccc3cn[nH]c23)ccc1-n1cncn1 95428721 FYGLALYIBDTXNG-UHFFFAOYSA-N 308.320 2.895 0 40 DFAB Cc1ccc(NC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1 95980138 AQGOETCIGFQKDR-OAHLLOKOSA-N 314.389 2.940 0 40 DFAB O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@@H](CO)C1 95976274 CNOYTWPWSBGSMC-GFCCVEGCSA-N 301.308 2.636 0 40 DFAB C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc(F)cc1Cl 95967786 PKIPIKLJFLARTB-STQMWFEESA-N 313.848 2.766 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)N2CCC[C@@H](CO)C2)cc1 74584652 CQXIOECBPDNXLR-HUUCEWRRSA-N 320.433 2.603 0 40 DFAB COC(C)(C)CNCc1ccccc1N(C)C1CCN(C)CC1 89761801 MSCHUTPFAWEWRC-UHFFFAOYSA-N 319.493 2.732 0 40 DFAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OC)CC(=O)N2 61717519 SQNUXBYEMDOTBB-SECBINFHSA-N 319.386 2.676 0 40 DFAB COC(=O)c1cc(OC(=O)c2cccc3ccccc23)n(C)n1 408555468 XQADHQOONXSEFI-UHFFFAOYSA-N 310.309 2.579 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1nc(-c2cccs2)no1 36133250 ZSENIMRPHGIPEP-UHFFFAOYSA-N 317.345 2.796 0 40 DFAB Cc1noc(C)c1CCC(=O)NCc1cc(-c2ccco2)on1 36662471 HMYRMBJXFCBNCC-UHFFFAOYSA-N 315.329 2.788 0 40 DFAB Cc1ncc2n1C[C@@H](C(=O)Nc1ccc3ncccc3c1)CC2 557563560 NCZGYWYSMDKFFU-AWEZNQCLSA-N 306.369 2.941 0 40 DFAB CC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1c(C)nn(C)c1C 75196197 LNKIJEBTJPQYKB-ZDUSSCGKSA-N 311.389 2.794 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 70667842 ZUTOWCUCXLEAMG-FOCJUVANSA-N 309.431 2.586 0 40 DFAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cn1 33194832 XUTRNSBHDNWGGZ-UHFFFAOYSA-N 317.732 2.627 0 40 DFAB CC(C)CN1CCCC[C@H]1c1cccnc1N1CCNCC1 72216365 AKAQEGNNAAFLKC-KRWDZBQOSA-N 302.466 2.674 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2COC3)cc1 75166546 VDNOKFRIEWXYSM-OKILXGFUSA-N 309.431 2.536 0 40 DFAB Cc1c(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)cnn1C 72355509 CVAJVBRVKKZITO-KRWDZBQOSA-N 322.416 2.646 0 40 DFAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 223196873 OMGVUKXUQCLFKH-SNVBAGLBSA-N 314.838 2.778 0 40 DFAB COc1cncnc1NC(=O)c1ccc(OC(C)(C)C)cc1 571578736 WQOKMMDTWNLTEE-UHFFFAOYSA-N 301.346 2.915 0 40 DFAB Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(C(C)(C)C)no1)C2 225516117 KMDGFUNLPFMCRJ-JTQLQIEISA-N 302.378 2.747 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COC(C)C 224714247 HHERFNCJAWUJAC-INIZCTEOSA-N 321.417 2.919 0 40 DFAB CCOc1ccc(CNC(=O)COc2cccc(OC)c2)cc1 222791640 AXHNAMQQGUZCOK-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)CCc1ccccc1)C2 96039078 IFJKWAPONOFHJG-HKUYNNGSSA-N 317.429 2.663 0 40 DFAB O=S1(=O)N=C(Cl)Nc2ccc(N3CCCCCC3)cc21 95096740 JWXJNTQTVCCOPM-UHFFFAOYSA-N 313.810 2.776 0 40 DFAB C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H]1c1cccc(F)c1 96445565 MBFFZAUVBHQMTD-LRDDRELGSA-N 320.408 2.898 0 40 DFAB Cc1ncc(CN2CCCC3(C2)OCCO3)n1-c1ccccc1 97236879 PKPKCVDWGZPNQL-UHFFFAOYSA-N 313.401 2.520 0 40 DFAB C[C@@H](Nc1cnn(-c2ccccc2F)c1)C(=O)NC(C)(C)C 97102889 KJFBYLYYGNIHTM-LLVKDONJSA-N 304.369 2.727 0 40 DFAB c1cncc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)c1 96226332 RTHMHKODVVOPBM-SFHVURJKSA-N 313.401 2.546 0 40 DFAB CCO[C@H](C)C(=O)NC1(c2cccc(Br)c2)CC1 96418897 JQHVLDGJURFJGN-SNVBAGLBSA-N 312.207 2.979 0 40 DFAB COc1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2O)c(Cl)c1 96472957 IWCYTJCZGAPVOO-SWLSCSKDSA-N 311.809 2.558 0 40 DFAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccc(O)cc2)n1 95533959 MNBDCIXZFMWQNI-ZDUSSCGKSA-N 300.749 2.879 0 40 DFAB COCC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 247878637 PFGFFEDQUVVQLZ-INIZCTEOSA-N 303.406 2.693 0 40 DFAB CCN(CCO)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 242648726 RELNPKQLHWOXOA-SJORKVTESA-N 320.433 2.538 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc3ncccc3c2)n1 257230401 GCEBSIYUIFUHCR-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2ccsc2)nc(C)n1 257282745 OVCMGQSMYYFOTQ-CYBMUJFWSA-N 302.403 2.866 0 40 DFAB Cn1c(N)nnc1SCc1ccc(F)c(Br)c1 42340543 GDYJJDNHAKDCSU-UHFFFAOYSA-N 317.187 2.591 0 40 DFAB Cc1c(NCC(=O)NCc2ccco2)cccc1OC(F)F 69347346 QDEHWFKIBINWMT-UHFFFAOYSA-N 310.300 2.918 0 40 DFAB CCOc1ccc(NC(=O)CSC(C)(C)C)c(C(N)=O)c1 72291485 QNTMGDITFOENPT-UHFFFAOYSA-N 310.419 2.654 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCCC2)c(C)n1C1CC1 84079544 QFMMURXULMCRSS-ZDUSSCGKSA-N 304.390 2.608 0 40 DFAB CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(noc2C)C[C@@]1(C)O 13142913 DWXONTTXPOFYOP-YESZJQIVSA-N 303.333 2.766 0 40 DFAB CSc1cccc(NC(=O)c2snc3c(O)ncnc23)c1 13564155 LGECSDCSTYWCAL-UHFFFAOYSA-N 318.383 2.766 0 40 DFAB O=C(Nc1ccc(NC(=O)N2CCCC2)cc1)N1CCCC1 19075233 SOZFAUHLFZRLPK-UHFFFAOYSA-N 302.378 2.942 0 40 DFAB O=C(c1ccccn1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19399912 BPBGPOPGKVMXSQ-ZDUSSCGKSA-N 312.373 2.752 0 40 DFAB C[C@@H](C(=O)Nc1cccc(CCCO)c1)N1[C@H](C)CC[C@H]1C 157581829 YSRORPCKMBUCNV-KFWWJZLASA-N 304.434 2.811 0 40 DFAB COCCn1cnc2c(Nc3ccc(C)c(F)c3)ncnc21 1888913251 KJRCIJICYMFQDO-UHFFFAOYSA-N 301.325 2.664 0 40 DFAB O=C(CSC1=NCCN1)Nc1c(Cl)cccc1Cl 26441727 SVJDUGQFYQNIOV-UHFFFAOYSA-N 304.202 2.624 0 40 DFAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(Cl)nn1 15829544 VELCIRLPIHCOEM-UHFFFAOYSA-N 303.170 2.757 0 40 DFAB CCC(CC)CN1CCn2c(CN3CCCCC3)nnc2C1 2055713361 DYRJHGSSGLUQKH-UHFFFAOYSA-N 305.470 2.516 0 40 DFAB CCC(CC)CN1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 2055772802 HBJYKUUBLIOYOT-IBGZPJMESA-N 324.509 2.626 0 40 DFAB CCCc1noc(CSc2nc(C)c(C)n2CCOC)n1 40087578 JQNZQBWFJDREIL-UHFFFAOYSA-N 310.423 2.774 0 40 DFAB COC(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1 31035109 AMBSKNXRROSKOT-UHFFFAOYSA-N 316.332 2.612 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1 31662427 WQHSVDWYMGGYJZ-MRVPVSSYSA-N 304.268 2.551 0 40 DFAB COc1ccccc1NC(=O)N[C@@H]1CCCc2c1cnn2C 31662189 ZGICFFMAZXBPLV-GFCCVEGCSA-N 300.362 2.628 0 40 DFAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc2c(c1)OCO2 31779191 GNDGMNGWYAWAJP-UHFFFAOYSA-N 321.336 2.912 0 40 DFAB Cc1cc2ncn(C[C@@H](O)CSc3nncs3)c2cc1C 51202707 LXRUNVCTFDBGOI-LLVKDONJSA-N 320.443 2.658 0 40 DFAB O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)CCC3 103007 GGWPVMHIMCLDQF-UHFFFAOYSA-N 308.366 2.584 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC)c1 270150 RMQLDANHGRALIO-UHFFFAOYSA-N 323.370 2.513 0 40 DFAB CCOC(=O)CCC(=O)c1cccc(CN2CCSCC2)c1 2515319 OXHWWDKZKZANPS-UHFFFAOYSA-N 321.442 2.761 0 40 DFAB COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 8235149 GYQMGQYJNIOOHN-ZFWWWQNUSA-N 318.417 2.632 0 40 DFAB CCOC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 2476028 ATFZPAVEXMODMJ-UHFFFAOYSA-N 302.326 2.614 0 40 DFAB C[C@H](Sc1nncs1)C(=O)N1c2ccccc2C[C@H]1C 2635012 TWGIJTVTOVQQTI-ZJUUUORDSA-N 305.428 2.997 0 40 DFAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)o1 60346151 VSJDFQZVRGZSKZ-MRXNPFEDSA-N 302.305 2.694 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1 32725808 IECRBFOQMZQUKG-BBRMVZONSA-N 311.385 2.865 0 40 DFAB Cc1cc(C)nc(N/N=c2\c(=O)c3cccc4cccc2c43)n1 105452221 JICYTDDGIWASJP-PGMHBOJBSA-N 302.337 2.563 0 40 DFAB CCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 2632675 LXCBIXFEWYXSCE-INIZCTEOSA-N 320.433 2.756 0 40 DFAB C=Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1 10119613 RWEBGLFZNZHPTN-UHFFFAOYSA-N 305.341 2.544 0 40 DFAB COc1ccc(NC(=O)COc2ncnc3sccc23)cc1 2621788 ONNICIBWMHZZTC-UHFFFAOYSA-N 315.354 2.717 0 40 DFAB COCCCNC(=O)c1cccc(C)c1NC(=O)c1ccco1 32906308 IJRJDJPLVJKXHJ-UHFFFAOYSA-N 316.357 2.607 0 40 DFAB COC(=O)c1cc(C(=O)N[C@]2(C)CCc3ccccc3C2)ccn1 81805209 UIUSASFJEDWKDA-LJQANCHMSA-N 324.380 2.546 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2onc3c2CCCC3)c1 8976546 ZOUPKFKNSFNOFR-UHFFFAOYSA-N 302.330 2.823 0 40 DFAB CCCN(C)c1ccc(C(=O)NCC2CCN(C)CC2)cc1 69348727 STTFOYXKJOLPLI-UHFFFAOYSA-N 303.450 2.604 0 40 DFAB O=C(Nc1cccc(N2CCCC2)c1)C(=O)N1CCCCCC1 69369730 ICJOFUNWBSBUOL-UHFFFAOYSA-N 315.417 2.628 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cscn2)C1 69381160 FRFROSCYGZCWHC-LBPRGKRZSA-N 315.398 2.634 0 40 DFAB CCOC(=O)c1cnc2c(-c3cccs3)c(C)nn2c1N 9287594 XNUXNBRBWSDNEJ-UHFFFAOYSA-N 302.359 2.525 0 40 DFAB Cc1cc(C(=O)NCc2nccn2CCCc2ccccc2)on1 81931516 KPIGASZBXAIGFC-UHFFFAOYSA-N 324.384 2.742 0 40 DFAB CCOc1cccc2c1OCC(C(=O)N[C@@H](C)[C@H]1CCCO1)=C2 46777408 ZXYYJWPAKYLXSN-SWLSCSKDSA-N 317.385 2.545 0 40 DFAB CCOc1cc(CN(C)CCC(=O)OC)ccc1OC(F)F 46777418 ONLHEVNQMISUAD-UHFFFAOYSA-N 317.332 2.682 0 40 DFAB CSc1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 22590698 ORDHMNCGMAOGCK-UHFFFAOYSA-N 314.366 2.992 0 40 DFAB O=C(Cn1ccnc1-c1ccccn1)N1CCCc2ccccc21 103919689 MLMYDICCZZYJIK-UHFFFAOYSA-N 318.380 2.925 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 69737338 FYCKAOPEKSMTJU-GFCCVEGCSA-N 324.371 2.589 0 40 DFAB CC(=O)c1cc(C(=O)NCCO[C@H]2CCCC[C@H]2C)n(C)c1 47005955 DALOJRJGTLWUNL-WBMJQRKESA-N 306.406 2.553 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccsc1 12349004 IKDLMTARUVCVRE-ZDUSSCGKSA-N 318.398 2.510 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2cc(C)on2)c(OC)c1 42310609 IHSNIEWYBIFRRY-JTQLQIEISA-N 305.334 2.883 0 40 DFAB COC(=O)Nc1ccc(OCc2ccc(C(N)=O)cc2)cc1 54248465 LWZAFNMUNCNNCW-UHFFFAOYSA-N 300.314 2.543 0 40 DFAB Cn1c(SCC(=O)NC2(C)CCC2)nnc1-c1ccccc1 55175460 ZEHMGRLAZIECAK-UHFFFAOYSA-N 316.430 2.633 0 40 DFAB Cc1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)no1 107712057 BUMAEPCSYFMNIP-ROUUACIJSA-N 320.433 2.781 0 40 DFAB O=C(/C=C/c1ccccn1)NCCCOc1ccccc1F 55068613 VHYRLJNYKAYTQG-MDZDMXLPSA-N 300.333 2.819 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 51379709 COTHIZHRGQHVCF-CQSZACIVSA-N 317.364 2.857 0 40 DFAB Cc1c([C@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)oc2ccccc12 69789245 LHNHHBBXMLZPGX-SMDDNHRTSA-N 317.389 2.611 0 40 DFAB Oc1ccc(Cl)cc1C1=NO[C@](O)(C(F)(F)C(F)F)C1 1409893 JHEOBXGCBPMZTL-JTQLQIEISA-N 313.634 2.759 0 40 DFAB Cc1c(C(=O)N[C@]2(C(=O)O)CCSC2)sc2ccccc12 43508932 YBGKGGIAPSATAB-OAHLLOKOSA-N 321.423 2.900 0 40 DFAB CC(=O)Nc1nc(COC(=O)C=C(C2CC2)C2CC2)cs1 56293719 SXSHMPYKRWSTQT-UHFFFAOYSA-N 306.387 2.891 0 40 DFAB C[C@H](CC[C@@H]1CCCO1)NC(=O)CSCc1cscn1 89895333 FJLLWHWZAJCSEB-YPMHNXCESA-N 314.476 2.840 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H](O)c2ccccc2F)cc1 27350862 UCPBIHSSTUCUTF-MRXNPFEDSA-N 302.349 2.667 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc[nH]c1=S 10125644 WMSFLFIJNWCSDB-UHFFFAOYSA-N 312.398 2.832 0 40 DFAB C[C@@H](CN1CCC(c2nc3ccccc3s2)CC1)C(N)=O 58159223 SUQHGLTYXGYORX-NSHDSACASA-N 303.431 2.597 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)N3CCO[C@H](C)C3)n2)cc1F 44897064 NESSOPRPMAHHQI-VXGBXAGGSA-N 305.353 2.966 0 40 DFAB O=C(CSc1ncccn1)Nc1cccc(Br)c1 3344017 QXCSWWFNJDZJBD-UHFFFAOYSA-N 324.203 2.970 0 40 DFAB CS(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2420638 ARXSFULMZKXXNA-UHFFFAOYSA-N 316.334 2.798 0 40 DFAB biogenic COc1cccc(CNC(=O)c2ccc(OC)cc2OC)c1 8379255 OQWOKHQEWLHMAI-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB CCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3415274 GJTNEPRNDRRBJF-UHFFFAOYSA-N 313.279 2.939 0 40 DFAB COc1ccc(-c2nnc(S[C@@H](C)C(N)=O)n2C(C)C)cc1 3481752 UHHUIRAJVLZYNR-JTQLQIEISA-N 320.418 2.501 0 40 DFAB CSc1cccc(NC(=O)COC(=O)c2ccccn2)c1 3567295 FNOWWRMYARKXNJ-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB C[C@H](c1nc(COc2ccccc2)no1)N1CCSCC1 91582347 JKRBBQIQADLYJE-GFCCVEGCSA-N 305.403 2.758 0 40 DFAB CC(C)n1ccc(=O)nc1S[C@@H](C)C(=O)NC1CCCCC1 69535742 BBVOVBMQOVZRBF-LBPRGKRZSA-N 323.462 2.754 0 40 DFAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)cc1 69510352 NUGSOFVINGQMDK-HOTGVXAUSA-N 314.429 2.926 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1ccc(OC)cc1 69509969 IAHVGRCDCLCRQY-ROUUACIJSA-N 316.445 2.713 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CC1 6335547 BODPIWCVCKAYRX-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB Cc1ccc2cc(C(=O)NCCc3nc(C)no3)c(C)nc2c1 65488821 HOWTUGNDBSHVID-UHFFFAOYSA-N 310.357 2.516 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccsc1)c1cc(F)ccc1F 65492156 AHEZVZKGGNTUEZ-LBPRGKRZSA-N 311.309 2.670 0 40 DFAB CC(C)CN(CC(C)C)C(=O)Cn1nc(C(C)(C)C)ccc1=O 65530634 UILDIPJHGKXBDN-UHFFFAOYSA-N 321.465 2.681 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cn1 69817667 PSVMOKVGKCLMDG-INIZCTEOSA-N 317.433 2.569 0 40 DFAB CCOC(=O)Nc1cccc(NC(=O)NC[C@](C)(O)CC)c1C 66160667 OHBQQAPWUVYYEF-MRXNPFEDSA-N 323.393 2.846 0 40 DFAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1ccc(O)c(Cl)c1 62001332 PXOBMSVOYCQXIQ-DOTOQJQBSA-N 314.772 2.970 0 40 DFAB biogenic O=C(CCn1c(=O)oc2ccc(Cl)cc21)NCc1ccco1 6759955 PONYCGVHJKXPKJ-UHFFFAOYSA-N 320.732 2.547 0 40 DFAB Cc1ccc(OCCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6786912 BQFSPQGGNUHJRE-UHFFFAOYSA-N 311.341 2.572 0 40 DFAB CCC(CC)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 71185001 SHOPQPDDANXSGX-OAHLLOKOSA-N 321.396 2.984 0 40 DFAB Cc1cc(C)c(CNC(=O)CCn2ccc3ccccc32)c(=O)[nH]1 7118402 BQQPJEAXHOZZMJ-UHFFFAOYSA-N 323.396 2.653 0 40 DFAB CCc1nnc(NC(=O)[C@H](CC)Nc2ccc(OC)cc2)s1 7460372 PJTDXVWWXTYXEO-LBPRGKRZSA-N 320.418 2.938 0 40 DFAB Cc1csc([C@@H](C)CNC(=O)NCc2nc(C)c(C)o2)n1 96013827 IXVOMVHCLTWHLC-QMMMGPOBSA-N 308.407 2.659 0 40 DFAB COCCN1CC[C@@H](Nc2ccc(Br)c(F)c2)C1 96011614 BAOHUOSNTLFMHJ-LLVKDONJSA-N 317.202 2.721 0 40 DFAB C[C@H](CN1CCOCC1)OC(=O)c1ccc(C(C)(C)C)cc1 19799790 BEXIDRCZUGWGPI-CQSZACIVSA-N 305.418 2.862 0 40 DFAB CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCNCC1 94599861 VQMHULRPCITFIC-UHFFFAOYSA-N 304.287 2.669 0 40 DFAB Nn1c(SCc2cccc(F)c2)nc2cc(F)ccc2c1=O 71768816 JWPCEQWVAUVXHY-UHFFFAOYSA-N 319.336 2.681 0 40 DFAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1(O)CCC1 72292946 CTFYCIDWKAHLOX-VIFPVBQESA-N 318.200 2.792 0 40 DFAB Cc1cccc(C(C)(C)NC(=O)CCNC(=O)C(C)(C)C)c1 96412121 LTGVYIPVKRKHQJ-UHFFFAOYSA-N 304.434 2.899 0 40 DFAB Cc1nccc(CNC(=O)Cc2cc(Cl)ccc2Cl)n1 75572912 LAXYWTKZDCMQKL-UHFFFAOYSA-N 310.184 2.951 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2OC)c1C 9544484 RGLYXGRWIMQQQK-UHFFFAOYSA-N 317.341 2.688 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]1)C2 71860256 WAFDWONYOPVEGE-UHFFFAOYSA-N 321.384 2.588 0 40 DFAB O=C(c1coc(Br)c1)N1CCC[C@@H]1Cn1cccn1 71866446 IXQDGOSYVJVDSC-LLVKDONJSA-N 324.178 2.543 0 40 DFAB C[C@H](OC(=O)c1cccc(N)c1)C(=O)N[C@H](C)c1ccccc1 71842150 ANFQBTVUOLYTKE-OLZOCXBDSA-N 312.369 2.692 0 40 DFAB CCCO[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 71835099 JQAUFDLVIPSDCG-ZFWWWQNUSA-N 316.401 2.530 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@H](N2CCCCC2)C1 71886625 YSZGHOPJVYIWPH-AWEZNQCLSA-N 318.421 2.572 0 40 DFAB COC(=O)CCC(C)(C)NC(=O)CCCOCc1ccccc1 71905616 UQQJLZBQXWLKBF-UHFFFAOYSA-N 321.417 2.831 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@@H]3C(N)=O)s2)o1 97081314 TWXRFCBPQRSLEQ-QWRGUYRKSA-N 318.398 2.700 0 40 DFAB C[C@](Cc1ccccc1)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)O 97018120 VLRHAMAMPPIFJG-LJQANCHMSA-N 322.364 2.984 0 40 DFAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1ccoc1 97018144 NJGQQKJNTCSIKL-UHFFFAOYSA-N 309.268 2.675 0 40 DFAB COc1cc(COC(=O)c2cnc3[nH]c(C)nc3c2)ccc1F 97108270 YKSHUMWFBWMECP-UHFFFAOYSA-N 315.304 2.771 0 40 DFAB O=C(O)c1coc(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c1 97115279 ZMEOJYZTCFMYTE-ACJLOTCBSA-N 311.337 2.612 0 40 DFAB Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(C)o1 76092467 BJSFMRMDVZOLIA-UHFFFAOYSA-N 301.321 2.884 0 40 DFAB CC(C)OCc1cc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)ccc1F 76050921 JPXUMNYMRGXKBC-SUMWQHHRSA-N 322.424 2.773 0 40 DFAB CCc1noc(C)c1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 76248621 CCXNSRPLELXAJC-OLZOCXBDSA-N 324.446 2.672 0 40 DFAB CC[C@@H](NC[C@@H](O)c1ccc(C)cc1)C1(C(=O)OC)CCC1 95466860 CLCQYLTYJJVPBD-HZPDHXFCSA-N 305.418 2.740 0 40 DFAB Cc1n[nH]c(-c2ccccc2NC(=O)c2cc(C(C)C)nn2C)n1 95405804 PPHVHISLZQETJS-UHFFFAOYSA-N 324.388 2.889 0 40 DFAB C[C@H](O)C1CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)CC1 73817649 TVONPQBMKOFLCK-VIFPVBQESA-N 306.387 2.723 0 40 DFAB OCCOCCN1CCC[C@@H]1c1ccccc1Br 88560340 XDICHMAGEQBMHI-CQSZACIVSA-N 314.223 2.595 0 40 DFAB Cc1cccc(C)c1OCC(=O)N1CCN(C)c2ncccc21 75104426 GANRSVFOBLUPSB-UHFFFAOYSA-N 311.385 2.560 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)Cc2cccc(F)c2)o1 89652725 QJBQHIYKEKGSDJ-OAHLLOKOSA-N 303.333 2.870 0 40 DFAB CCOCc1nn([C@@H](C)CC)cc1I 408716272 KUFYTTULMRHRRY-QMMMGPOBSA-N 308.163 2.995 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)c1cc2c(s1)CCC2 521402303 WPBQRJQYPRMOTO-UHFFFAOYSA-N 314.410 2.778 0 40 DFAB COc1ccccc1Oc1ccc(C(=O)N2CCOCC2)o1 72265309 VIWPCMRXPCXMJX-UHFFFAOYSA-N 303.314 2.553 0 40 DFAB Cc1cccc2c1CC[C@@H]2NC(=O)N(C)C[C@@H]1CCC[C@H]1O 535120403 HLFPYMNLZIIBHO-RRQGHBQHSA-N 302.418 2.785 0 40 DFAB OCCN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359286 AENDGNZKYDMGKB-CQSZACIVSA-N 317.820 2.969 0 40 DFAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 126408246 GJQKZMAEZZBFNL-CAOSSQGBSA-N 324.465 2.549 0 40 DFAB CNC(=O)C(C)(C)CN[C@H]1CCCOc2c(Cl)cccc21 183835446 MBTSJMDRIZVIGD-ZDUSSCGKSA-N 310.825 2.916 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1 218486792 PNUSQSAOUXUMJN-JYJNAYRXSA-N 321.829 2.915 0 40 DFAB CC1(C)CCC[C@H]1NC(=O)NCc1cccc(-c2nc[nH]n2)c1 78328348 HGFXTXYCJGRMKB-CQSZACIVSA-N 313.405 2.850 0 40 DFAB Cc1cc(C(=O)NCc2cc(N(C)C)nc3ccccc23)on1 75385769 FNBMMMWUQPNZHC-UHFFFAOYSA-N 310.357 2.527 0 40 DFAB C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(F)nc2)C1 521394867 ZHUNRXAEMKFISP-YPMHNXCESA-N 322.380 2.661 0 40 DFAB C[C@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 566910633 UQMVVRPVCZEZNQ-QEORTHHSSA-N 300.333 2.602 0 40 DFAB Cc1ccc(OCc2nc(C)cc(SCC(=O)O)n2)cc1 49468933 PCAAJUUSTONHAM-UHFFFAOYSA-N 304.371 2.849 0 40 DFAB COc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2cccnc12 225891959 IZLBLEPWBFVIGH-KRWDZBQOSA-N 300.358 2.997 0 40 DFAB O=C(NCc1cccnc1)c1snnc1-c1cccs1 225787469 BIXOZXPRQHNYTF-UHFFFAOYSA-N 302.384 2.592 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)/C=C/c1ccccc1Cl 75157477 KTZSTMYLKPHFIG-MVGZEHJDSA-N 313.850 2.974 0 40 DFAB CCc1oc2ccccc2c1CC(=O)N1CC[C@H](c2nc[nH]n2)C1 529505790 OEGMUMRDQVIFDH-LBPRGKRZSA-N 324.384 2.672 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCOC[C@@H]1CC1CCC1 581016804 GYWJNRJAZPODMA-HNNXBMFYSA-N 306.406 2.642 0 40 DFAB COC[C@@H]1CN(Cc2ccco2)Cc2c1cnn2CC1CC1 96197909 CHEBEXHKRVUVHF-AWEZNQCLSA-N 301.390 2.632 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 95436404 MLKLBSWOHSOFPD-IFIJOSMWSA-N 301.386 2.932 0 40 DFAB O=C(CNCC(F)(F)F)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 96423882 HMHVWNLEBQPIQO-OLZOCXBDSA-N 318.314 2.730 0 40 DFAB Cc1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)no1 96106628 ULZZWMOKJRQVAU-INIZCTEOSA-N 306.406 2.533 0 40 DFAB O=C(NCCNc1ccc2ccccc2n1)c1ccncc1F 96436746 JAKWQHWXMVBAHV-UHFFFAOYSA-N 310.332 2.611 0 40 DFAB CCS(=O)(=O)c1c[nH]nc1-c1ccc(Br)cc1 96510067 KWZHSGFSDLPJCL-UHFFFAOYSA-N 315.192 2.633 0 40 DFAB COCc1nn(C(C)C)c2c1CCN(Cc1nccs1)C2 96058981 DOHZOEFMFLJVRC-UHFFFAOYSA-N 306.435 2.625 0 40 DFAB c1cn2c(CN3CCCC4(C3)OCCO4)c(C3CC3)nc2s1 97236888 BNUOEQJXCVTRIW-UHFFFAOYSA-N 319.430 2.612 0 40 DFAB CCC(=O)N1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 96207239 IEEGBTLVVRUHLT-OAHLLOKOSA-N 318.417 2.516 0 40 DFAB CC(C)(CO)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500294 QJQUYFAZMFILQE-UHFFFAOYSA-N 308.712 2.834 0 40 DFAB Fc1nc(F)c(I)cc1Br 95470401 QOBGIWPDVRCSOM-UHFFFAOYSA-N 319.874 2.727 0 40 DFAB CCN1CC[C@H](N(C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C 96419588 ROIRRISWIXKVFP-YOEHRIQHSA-N 313.445 2.833 0 40 DFAB COc1ccc(-c2n[nH]c([C@@H](N)c3cccc(OC)c3)n2)cc1 95533515 ZSEWBASXQHOFNK-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB CCCCC(=O)N1CCC2(CC1)C[C@@H](Nc1ccccn1)CO2 96221376 UMXODYHIFVAIQH-OAHLLOKOSA-N 317.433 2.834 0 40 DFAB COc1cccc(F)c1CN1CCC2(CC1)OCCC[C@H]2OC 257291875 QJABBNROVLIEBC-QGZVFWFLSA-N 323.408 2.994 0 40 DFAB COc1ccc(C(=O)N2CCC(C)(c3nccs3)CC2)cn1 257315302 VASRLBBYCIDBCK-UHFFFAOYSA-N 317.414 2.741 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)n1 257269274 MPHMBQGGJLYFSX-KRWDZBQOSA-N 321.380 2.925 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2cncc(-c3ncc[nH]3)n2)CC1 257277602 NYRFESKRMSTQHP-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB CCOC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3o1)C2 253382933 JUPZUYGEWNWIIS-CQSZACIVSA-N 315.369 2.700 0 40 DFAB O=C(c1cccnc1)N1CCO[C@H](Cc2cccc(Cl)c2)C1 257219578 DHHVBSCFFQVZDF-MRXNPFEDSA-N 316.788 2.819 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)c1c(C)nc2ccccc2c1C 252483142 DVYSERKVEYGQML-NHYWBVRUSA-N 318.442 2.694 0 40 DFAB CN(C)c1cccc(C(=O)NCCn2cc(-c3ccoc3)cn2)c1 575614722 COVHSVNZQLGVSI-UHFFFAOYSA-N 324.384 2.639 0 40 DFAB CC(C)(C)S(=O)(=O)CCc1ccc2c(c1)OC(F)(F)O2 585098389 RBUSJLLUXAIIRD-UHFFFAOYSA-N 306.330 2.764 0 40 DFAB Cn1nccc1-c1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 585141797 YPGKHXLOFRGDLW-HNNXBMFYSA-N 323.400 2.850 0 40 DFAB Cc1ccc(CN2CC3(C[C@H](Oc4ccccn4)CCO3)C2)o1 585104290 GRQVLFMJGNEJPE-OAHLLOKOSA-N 314.385 2.795 0 40 DFAB CC[C@@H](C(=O)N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 68188250 CHPSCVBKPRXGPP-QGZVFWFLSA-N 316.445 2.897 0 40 DFAB Cc1nc2c(s1)[C@@H](N(C)c1cc(Cl)nc(N)n1)CCC2 69600797 HAVPQKKRJRFAEM-VIFPVBQESA-N 309.826 2.991 0 40 DFAB CCCS(=O)(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 98014178 PGADOZZISPJKJF-JKSUJKDBSA-N 311.447 2.792 0 40 DFAB CCN1CCN([C@@H](CC(C)C)c2nnnn2C(C)(C)CC)CC1 19499523 UMFXMAHSHWASKA-HNNXBMFYSA-N 322.501 2.543 0 40 DFAB COc1ccc([C@@H]2OC(=O)c3c(OC)cc(OC)cc32)cc1 28818563 YNGUFTHOYVRQDO-INIZCTEOSA-N 300.310 2.972 0 40 DFAB biogenic Cc1cnc(N(C)[C@H]2CCCN(c3cc(C4CC4)ncn3)C2)nc1 1889091463 LTIDDFZJPRMBRF-HNNXBMFYSA-N 324.432 2.558 0 40 DFAB O=C(N[C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1)C1CC1 1889114126 BGHSGBKPOPTOJX-GFCCVEGCSA-N 319.405 2.930 0 40 DFAB CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCNCC2 1942116940 WJMSINQARSIDBW-QVKFZJNVSA-N 306.475 2.705 0 40 DFAB O=C1N(c2ccccc2)CCCC[C@@]12CN(CC1CC1)CCO2 2037980604 ALXDWUOXLGJITI-LJQANCHMSA-N 314.429 2.685 0 40 DFAB O=C(Nc1nnc(-c2ccno2)o1)c1cccc(C(F)(F)F)c1 12234435 RPMUVXOWXRKCJS-UHFFFAOYSA-N 324.218 2.996 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)c3cc(F)ccc3O2)c1 15083912 FSNSCIKEIJMVIC-INIZCTEOSA-N 315.300 2.807 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@@H](C)CO1 40082888 KGPIMOXXMQRSRH-QWRGUYRKSA-N 319.792 2.980 0 40 DFAB CC(=O)c1c(C)[nH]c(-c2csc(CN3CCOC3=O)n2)c1C 30448000 XQJRLZCROFKQCQ-UHFFFAOYSA-N 319.386 2.910 0 40 DFAB O=C(NC1=NCCS1)c1cc(Cl)ccc1Br 30805883 LTJMJDZQFYUOAU-UHFFFAOYSA-N 319.611 2.935 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@H](C)Cn3cccn3)cc2C1 31390049 JTEYIYVBERKSQQ-NWDGAFQWSA-N 303.431 2.888 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1ccccc1OC)CC(C)C 31706000 GBXZOVSULCFRSW-ZDUSSCGKSA-N 322.405 2.586 0 40 DFAB O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CC=CCC1 40510515 SYJIDTUXXOABEG-LLVKDONJSA-N 313.323 2.985 0 40 DFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 203399 KIHNSJPCFXRVEE-HNNXBMFYSA-N 317.316 2.780 0 40 DFAB CC[n+]1cn(C[C@@H](O)COc2ccccc2C)c2ccccc21 316212 YBWSLKSVGFBNIV-MRXNPFEDSA-N 311.405 2.697 0 40 DFAB Cc1cccc([C@@H](CC(=O)NC2CCCCCC2)NC(N)=O)c1 32795576 USMYQTSBPMQVPY-MRXNPFEDSA-N 317.433 2.934 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6725383 WSYPDCZGUZHFBG-BCEUIYSSSA-N 317.385 2.619 0 40 DFAB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@H](C(=O)N2CCOCC2)C1=O 6779856 RNRIVVUGERBUEA-MCIONIFRSA-N 309.450 2.759 0 40 DFAB O=C(Cn1nnc2ccccc21)Nc1ccc(F)c(Cl)c1 6998860 NBBJQPNUHGBMAQ-UHFFFAOYSA-N 304.712 2.863 0 40 DFAB S=C(NCc1nc2ccccc2[nH]1)N[C@H]1C[C@@H]2CC[C@@H]1C2 103331803 WXZWWIOELKLNRR-GYSYKLTISA-N 300.431 2.716 0 40 DFAB CN(CCCNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 32845331 PMALCMYOJGJZPW-SFHVURJKSA-N 310.397 2.633 0 40 DFAB COc1ccc(CN(C)CCC(=O)N2CCCCC2)cc1OC 46502586 HLFAIRRPUZJOAG-UHFFFAOYSA-N 320.433 2.538 0 40 DFAB O=C(NCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 32986252 OSUCBUQTFBFEJW-RDJZCZTQSA-N 314.429 2.988 0 40 DFAB Cc1nnc(NC(=O)CCCC(=O)OCc2ccccc2)s1 8474141 QADIRCYSGBPDOC-UHFFFAOYSA-N 319.386 2.699 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)NC(=O)CO2 33119799 QIXLBHAHWATQKP-MRVPVSSYSA-N 320.732 2.755 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)no1 46986896 HVDFSWSVQPTCSV-SNVBAGLBSA-N 314.345 2.750 0 40 DFAB Cc1ccc(CNC(=O)CCNC(=O)c2cccc(C)c2)cc1 9300091 CXZZGIQTQPDZIH-UHFFFAOYSA-N 310.397 2.740 0 40 DFAB Cn1cnnc1SC[C@@H](O)COc1ccc2ccccc2c1 22242209 BSVZPMQPKWJAIZ-AWEZNQCLSA-N 315.398 2.500 0 40 DFAB O=C(Cn1nnc(-c2cccc(F)c2)n1)c1ccc(F)cc1 23075039 CGZHOEOLXVVYFU-UHFFFAOYSA-N 300.268 2.501 0 40 DFAB CSc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1 104440681 LURDDPWDQJWNFF-MRXNPFEDSA-N 308.491 2.686 0 40 DFAB CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Sc1ncccn1 3048235 OFSPIFZUZFNKMK-KBPBESRZSA-N 315.398 2.981 0 40 DFAB CCn1c(O)c(C(=O)Nc2cccc(O)c2)c(=O)c2ccccc21 1240992 YRBHQJSLQNIRNJ-UHFFFAOYSA-N 324.336 2.685 0 40 DFAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccsc1 24643353 CVWAEBNDJABQNQ-UHFFFAOYSA-N 316.426 2.510 0 40 DFAB Cn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 12528229 FHFVODMIOPKVHV-CYBMUJFWSA-N 322.364 2.748 0 40 DFAB CC(C)(C[C@](O)(CN)C(F)(F)F)c1cccc2c1OCC2 34605570 FPKQZZQJFCNMIL-AWEZNQCLSA-N 303.324 2.541 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCn1cncn1 69490555 OKBKOUAOVRIESD-HNNXBMFYSA-N 322.412 2.959 0 40 DFAB Cc1cnc(NC(=O)[C@H](C)n2cc(Br)cn2)s1 28224457 VBSDRHLOBIITGJ-ZETCQYMHSA-N 315.196 2.610 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 108356149 SFOJIBKPGCSSGL-MTVMDMGHSA-N 306.328 2.727 0 40 DFAB O=C(Cn1cccn1)N[C@H](Cc1ccccc1)c1ccccc1 26905941 XLBVYIGODJHTFP-GOSISDBHSA-N 305.381 2.983 0 40 DFAB CCOC(=O)CC(=O)Cn1c(-c2ccccn2)nc2ccccc21 28539588 AUVZFMNIDYDVBR-UHFFFAOYSA-N 323.352 2.621 0 40 DFAB Cc1ccsc1C(=O)NC[C@@H](O)CO[C@H](C)c1ccccc1 58248866 LYHFZCMGKDYAAQ-UKRRQHHQSA-N 319.426 2.925 0 40 DFAB CCN1CCC[C@H](CNC(=O)CCc2ccc(OC)c(F)c2)C1 58275808 CRLJUXLSMPNVLW-OAHLLOKOSA-N 322.424 2.615 0 40 DFAB C[C@@H](CCc1ccccc1)CC(=O)N(C)CC(=O)N1CCCC1 58344753 WMPIUZOBRIDEQG-INIZCTEOSA-N 316.445 2.726 0 40 DFAB O=C(NCc1ccc(OCC2CC2)nc1)c1cccc2cn[nH]c12 58424725 BQXCIWIEYHGAAF-UHFFFAOYSA-N 322.368 2.677 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nc(/C=C/c2ccco2)n[nH]1 10624977 TVKBSGBNHWRTQD-VQCYPWCPSA-N 306.391 2.575 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1 36396074 UUZQRHUOLNNCSP-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB NC(=O)[C@@H]1CCCN1c1nc(-c2cccs2)nc2ccccc12 3453558 FBGPVHCGTGHAAI-ZDUSSCGKSA-N 324.409 2.812 0 40 DFAB Cc1ccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1Cl 20156386 WRSDEBYRUNRWGH-UHFFFAOYSA-N 324.789 2.792 0 40 DFAB CC[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1Br 48888813 OIZNMGILOBWBHK-VIFPVBQESA-N 300.200 2.885 0 40 DFAB C[C@@H](C(=O)NCCc1cc(Cl)cc(Cl)c1)n1cncn1 49296673 XSNUAJUARHLBKT-VIFPVBQESA-N 313.188 2.505 0 40 DFAB CC[C@H](C)NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O 4090010 JHONEVVMLBULTG-JTQLQIEISA-N 303.358 2.573 0 40 DFAB biogenic OCC[C@@H]1CCCCN1c1ncnc2sc3c(c12)CCC3 49752683 VDGYPLOHAMSHHX-NSHDSACASA-N 303.431 2.921 0 40 DFAB CCCNC(=O)N1CCN(c2nc3ccccc3s2)CC1 5152320 KACLFVOECWBLFP-UHFFFAOYSA-N 304.419 2.538 0 40 DFAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccncc1 408803639 RMBJOENYQNFJPO-UHFFFAOYSA-N 300.338 2.984 0 40 DFAB O=C(N[C@@H]1C=C(Cl)c2cc3c(cc21)OCO3)C(F)(F)F 6320803 AASLYRSSMVRFGW-MRVPVSSYSA-N 305.639 2.728 0 40 DFAB Cc1cc(=O)oc2cc(Oc3ncnc4c3cnn4C)ccc12 14085936 FHFFZBDKSKUJMQ-UHFFFAOYSA-N 308.297 2.570 0 40 DFAB C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H](C)c1ccccc1 65563170 AQCWQHMUDAFJDJ-KBPBESRZSA-N 302.418 2.949 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 14105125 SXDGWXXKPRLWKD-CQSZACIVSA-N 324.336 2.538 0 40 DFAB CSc1nc(C)c(CCC(=O)NC2CCCCCC2)c(=O)[nH]1 14163646 FGMXQRLJNIHAJO-UHFFFAOYSA-N 323.462 2.572 0 40 DFAB NC(=O)N[C@H](CC(=O)NC1CCCCCC1)c1cccs1 14269643 FJHMXRMCNJJEEX-GFCCVEGCSA-N 309.435 2.687 0 40 DFAB Cc1ccc(CC(=O)NC[C@@H]2COc3ccccc3O2)cc1C 5631094 WWLJJXJHNUYMJO-MRXNPFEDSA-N 311.381 2.802 0 40 DFAB Cc1nnnn1-c1cccc(C(=O)NCCC2=CCCCC2)c1 71282544 KRLHSRNDIHJNPE-UHFFFAOYSA-N 311.389 2.591 0 40 DFAB Cc1cnc(NC(=O)CN2C(=O)CSc3ccccc32)s1 9156129 KAMMAVPJBUSPGC-UHFFFAOYSA-N 319.411 2.529 0 40 DFAB Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@H]1CCCS1(=O)=O 90467579 KSQDMKCQAOOPSH-PWSUYJOCSA-N 316.492 2.803 0 40 DFAB Cn1cc(C(=O)OCC(=O)NC2CCCCC2)c2ccccc21 7702293 LLESVVIXRYFINU-UHFFFAOYSA-N 314.385 2.784 0 40 DFAB CCC[C@H]1CN(C(=O)NCCCc2ccc(O)cc2)CCO1 96485455 YKOFUHZSRLOASV-INIZCTEOSA-N 306.406 2.535 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 9503124 NDPUHTDCEQCBRJ-AWEZNQCLSA-N 313.357 2.808 0 40 DFAB Cc1c([C@H](C)NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cnn1C 41133139 DLFQWTBUHFHBPU-HEHGZKQESA-N 322.453 2.684 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)COC[C@H]2CCCO2)n1 72282003 OLCGWSCVUFKMQC-ZIAGYGMSSA-N 324.446 2.701 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@H]1CCO[C@H]1c1ccccc1 97055368 FFYAZDNEYWZPIH-ULQDDVLXSA-N 318.417 2.775 0 40 DFAB CCc1c(Cl)nc(C)nc1N(C)Cc1nnc2ccccn12 76061646 DDPMOEWAQMLNQQ-UHFFFAOYSA-N 316.796 2.680 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)CCc2ccncc2)C12CCCC2 76067937 HQKOMHUJAOKRNT-JKSUJKDBSA-N 302.418 2.868 0 40 DFAB COc1cc(C(=O)NC[C@H]2CCCO2)nc2c(C)cc(F)cc12 72329546 HPYBRRJICPBMNA-GFCCVEGCSA-N 318.348 2.600 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc2[nH]ccc12 72324617 IITOPMQXXDJWNZ-UHFFFAOYSA-N 318.336 2.517 0 40 DFAB biogenic COC(=O)c1ccoc1COC(=O)c1cccnc1NC(C)C 72312496 KXWQDTBDVGVUNG-UHFFFAOYSA-N 318.329 2.639 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)C12CCCC2 72303477 AXEDYBJJDHBSKH-HUUCEWRRSA-N 317.433 2.615 0 40 DFAB O=C([C@H]1CCCO1)N(Cc1ccccc1)C[C@H](O)c1ccco1 84369133 YBPOXEVAGZYKPL-DOTOQJQBSA-N 315.369 2.521 0 40 DFAB CSc1ccc(NC(=O)NCCCn2ccnc2)cc1F 76081880 GUAFLQXSAUMCQR-UHFFFAOYSA-N 308.382 2.956 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 78155155 PWHLDZHFTGSYJC-DFMBRWPFSA-N 321.367 2.998 0 40 DFAB Cc1nc(CN(C)C2CCN(C3CCOCC3)CC2)cs1 95399074 XBFFXZAUQINHLU-UHFFFAOYSA-N 309.479 2.527 0 40 DFAB FC(F)(F)COc1ccc(CN2CC[C@]3(CCOC3)C2)cn1 95422772 VKTGQZKGPYAUJQ-AWEZNQCLSA-N 316.323 2.635 0 40 DFAB Cn1ncc(NC2CCC(C)(C)CC2)c(Br)c1=O 78335850 YGHATLSHHOERAW-UHFFFAOYSA-N 314.227 2.924 0 40 DFAB CC(C)(C)c1nc(CNc2ccc(OCCO)nc2)cs1 95436172 VUBKCPWUEPMMDE-UHFFFAOYSA-N 307.419 2.819 0 40 DFAB O=C(OCCCn1cccn1)[C@H]1C[C@@]12CCOc1ccccc12 95404961 VSTNYEBKJZNWLA-CRAIPNDOSA-N 312.369 2.557 0 40 DFAB COC(=O)c1cccc(CNC(=O)NCc2cccc(F)c2)c1 89406915 OEVRUQMTIHAKQF-UHFFFAOYSA-N 316.332 2.612 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)CC2(C)OCCO2)o1 89652422 XQPBSESPOXYGLF-AAEUAGOBSA-N 310.394 2.737 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)nn1C 89600872 GDAMIIKKLMCQDS-UHFFFAOYSA-N 313.279 2.765 0 40 DFAB Cc1cccc(C)c1OCC(=O)Nc1cnn(C)c1C(F)F 89688871 BEWNORKNJHYMSI-UHFFFAOYSA-N 309.316 2.992 0 40 DFAB CC(C)(C)OC(=O)N1CCOC[C@@]12CCc1cc(N)ccc12 306145292 AMGIDJUMXGVZEO-QGZVFWFLSA-N 304.390 2.678 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc3cnncc3c2)cc1 408979172 PMMOXZYEVLLWCW-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB Cc1noc(-c2cccc(OCC(=O)NC3CCCCC3)c2)n1 33012436 TWGQWFYQXZRVRW-UHFFFAOYSA-N 315.373 2.873 0 40 DFAB O=C(CCCc1cccs1)NCC(=O)NCc1ccccc1 32923035 YHLXCNCQDODNGM-UHFFFAOYSA-N 316.426 2.503 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)O 6358487 LLAGBWVHCRZXMQ-KCQAQPDRSA-N 306.406 2.806 0 40 DFAB biogenic COc1cccc(-c2c(C(=O)O)nnn2-c2ccc(F)cc2)c1 62267306 FMOFPHYTAIFETQ-UHFFFAOYSA-N 313.288 2.780 0 40 DFAB O=C(c1ncccn1)N1CCS[C@H](c2cccs2)CC1 219522929 GCLLRNOKURUGRP-LBPRGKRZSA-N 305.428 2.859 0 40 DFAB CC(C)OC(=O)N1CCC(OC(=O)CCc2ccco2)CC1 79037268 WNTIDDIKQOSNPL-UHFFFAOYSA-N 309.362 2.765 0 40 DFAB CC(=O)Nc1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 71279297 GQGGIJGABFZWOW-UHFFFAOYSA-N 312.325 2.524 0 40 DFAB Cc1ccc(S(=O)(=O)c2ncccc2CN2CCCC2)cc1 79477606 NGNVNAVVNMEOIG-UHFFFAOYSA-N 316.426 2.819 0 40 DFAB COC(=O)c1c(Br)c(-c2ccc(C)cc2)nn1C 85863781 MKTOZMVJRFNHNG-UHFFFAOYSA-N 309.163 2.945 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)C1C2CC3CC(C2)CC1C3 46190327 YJKIZCXWAWFKCG-UHFFFAOYSA-N 319.445 2.861 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@@]1(O)CCOc2ccccc21 75158146 NZWRXOCWHJTYLG-RTRPANQVSA-N 315.394 2.548 0 40 DFAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC 222681376 VNOZDUIVTCUBSS-SECBINFHSA-N 317.216 2.867 0 40 DFAB CN(c1nc(O)c2cnn(C)c2n1)[C@H]1CCC[C@H]1C(C)(C)C 574623686 DACXWDDZBHODIY-NEPJUHHUSA-N 303.410 2.720 0 40 DFAB Cc1cc(SCCO)cc(C)c1I 45889839 QFOAXRSIVHBKFY-UHFFFAOYSA-N 308.184 2.992 0 40 DFAB C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1CCC1 225639655 NUXLAFCCZFRSDB-YOEHRIQHSA-N 315.461 2.984 0 40 DFAB COc1cc2c(cc1O)CN1Cc3cc(O)c(OC)cc3C2C1 24717577 JQTVAGWDXZYOSS-UHFFFAOYSA-N 313.353 2.576 0 40 DFAB biogenic Cc1cn(C)nc1C(=O)N1CCC[C@H]1CC(=O)c1cccs1 334134048 WXCBSVVXRAAYSH-LBPRGKRZSA-N 317.414 2.668 0 40 DFAB COC[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)o1 95423546 NRLDTCSCOXDHOO-OAHLLOKOSA-N 322.449 2.902 0 40 DFAB COCCCn1ccc(NC(=O)NCc2ccc(C)cc2C)n1 96413433 LRKDZQNZOULDBU-UHFFFAOYSA-N 316.405 2.858 0 40 DFAB CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CCSC1 96485039 PCLWDIPVOVTHSR-AWEZNQCLSA-N 302.403 2.842 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)ccc1F 21987108 DYAISPAQPPRCQC-LLVKDONJSA-N 315.316 2.875 0 40 DFAB biogenic CC(C)[C@H](O)CNC(=O)Nc1ccc(F)cc1OC(F)F 96435463 CVHKYLCMVGFOOV-SNVBAGLBSA-N 306.284 2.566 0 40 DFAB Cc1nnc(N2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)s1 96039912 DVUMRGFHTYAKIO-GDBMZVCRSA-N 323.462 2.649 0 40 DFAB Fc1ccc(Cc2nc3nccc(-c4ccncc4)n3n2)cc1 95477599 FBGNVWNTXRKJSB-UHFFFAOYSA-N 305.316 2.916 0 40 DFAB C[C@H](CCO)CNC(=O)[C@H](C)c1ccc(Br)cc1 96487688 MNLHOTQUVHJCKL-GHMZBOCLSA-N 314.223 2.687 0 40 DFAB Fc1ccc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cc1 96046118 IYGIOWSTBDHQIN-BMGDILEWSA-N 313.376 2.968 0 40 DFAB Cc1cnc(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cn1 96425775 RNFJXSYIKAZCFF-BCLQGDPASA-N 317.433 2.985 0 40 DFAB CN(Cc1ccc(Br)c(F)c1)C(=O)C(C)(C)CO 579851723 SZENAKWNWKJYOP-UHFFFAOYSA-N 318.186 2.565 0 40 DFAB CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(C(=O)O)s1 580201707 ADJYYCLDIZMIDO-NRFANRHFSA-N 323.439 2.816 0 40 DFAB O=c1cc(CNc2nc(C(F)F)nc3ccccc23)cc[nH]1 95455188 NYVUCPIJXSJAGP-UHFFFAOYSA-N 302.284 2.868 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(C(=O)O)c2)CC1 98175005 RAKXQSKURLYFCZ-UHFFFAOYSA-N 324.352 2.581 0 40 DFAB COCCCCS(=O)(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 97097119 VPZJIMGCBAJCIC-HOCLYGCPSA-N 323.458 2.897 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)C1 96502880 WNJGDOTVJPIUCW-JHJVBQTASA-N 300.468 2.606 0 40 DFAB C[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 96306206 IOUGDLVGAMVLPG-JMOVZRAMSA-N 305.380 2.598 0 40 DFAB CN1CC[C@H](NCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 245287307 BWXHEPAQBWBQAY-DZGCQCFKSA-N 308.788 2.737 0 40 DFAB Cc1ccc([C@@H]2[C@@H](CN)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 252515624 MGLAGQSVAHHARW-KZNAEPCWSA-N 315.438 2.818 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccsc2)C1 257344008 ZVKIFUDIQRPJOI-LBPRGKRZSA-N 316.430 2.675 0 40 DFAB C[C@H](NC(=O)c1cc(-c2ccc(O)cc2)on1)C(F)(F)F 254286893 PMMUHOMLMLDFQC-ZETCQYMHSA-N 300.236 2.728 0 40 DFAB Cc1ocnc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 257246276 ITKJSPLLSVSWTR-CQSZACIVSA-N 308.341 2.577 0 40 DFAB CCC[C@H](NC(=O)N1CC[C@](F)(CO)C1)C1CCCCC1 252510870 ZQEQHHRWSSSPSM-GOEBONIOSA-N 300.418 2.851 0 40 DFAB COc1ccccc1CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C 257233206 GOGCJHAEFMRMAG-HKUYNNGSSA-N 316.445 2.713 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)CCOc2ccccc2)n1 257261718 LINQBHNQPSQZND-QGZVFWFLSA-N 311.385 2.918 0 40 DFAB CN1CCC(Cc2ccccc2F)(C(=O)NCC2CCC2)CC1 257260672 LDWBEBFRWRPYCE-UHFFFAOYSA-N 318.436 2.997 0 40 DFAB O=C(c1ccc2ncsc2c1)N1CCC2(CC1)OCCS2 96120462 UOPSBCDWKWQNTI-UHFFFAOYSA-N 320.439 2.992 0 40 DFAB CO[C@]1(COc2ccccc2C)CCCN(Cc2ncc[nH]2)C1 585274368 JXMZGMLLONDSTF-GOSISDBHSA-N 315.417 2.778 0 40 DFAB O=C(CCC1CCCC1)NCC1CCN(c2ncccn2)CC1 43976806 UQPFZQFJJIYQKJ-UHFFFAOYSA-N 316.449 2.780 0 40 DFAB Cc1noc([C@H]2CCCN([C@@H](C)c3nc(C4CC4)no3)C2)n1 52863666 XTWNVAXMQQYUBC-CABZTGNLSA-N 303.366 2.579 0 40 DFAB COc1ccccc1[C@H]1C[C@@H]1C(=O)NCCN1CCC(C)CC1 69371070 XHJJIUAWOGWANP-SJORKVTESA-N 316.445 2.647 0 40 DFAB Cc1ccc(-c2nnc(COc3nnc4ccccn34)o2)cc1 69845418 CRUJKTNRGICVQA-UHFFFAOYSA-N 307.313 2.667 0 40 DFAB Fc1cccc2nc(N3CCC[C@H](n4ccnn4)CC3)oc12 895105858 CSCAIWDBDPUCJB-NSHDSACASA-N 301.325 2.790 0 40 DFAB O=C(Nc1c(F)cccc1F)N1CC(n2cc(C3CC3)nn2)C1 585394544 ZEUZEVYCGUTLEU-UHFFFAOYSA-N 319.315 2.523 0 40 DFAB COc1cccc(CN2CCN(Cc3ccccc3)C(=O)C2)c1 1203826519 VCRKNAFIYXGQFO-UHFFFAOYSA-N 310.397 2.540 0 40 DFAB COCCCNC(=S)Nc1ccc(Br)cc1F 13788514 QEQJLLBYWBTGKH-UHFFFAOYSA-N 321.215 2.911 0 40 DFAB COc1ccccc1NC(=O)COC(=O)Cc1ccc(F)cc1 5634253 GKEOTWGQGRRBQD-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB COc1cccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1 13964694 CDXBJXZLLKFHIJ-AWEZNQCLSA-N 305.422 2.937 0 40 DFAB CC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1 19452505 OTVMFJQISZZWCK-TZMCWYRMSA-N 315.417 2.747 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)Sc1nncn1C1CC1 22542191 FHIHGLMJTAAVMU-JTQLQIEISA-N 318.402 2.741 0 40 DFAB O=C(COc1ccccc1)NCC1CCN(C2CCCC2)CC1 23127948 UXVDZAHCHJJNIX-UHFFFAOYSA-N 316.445 2.836 0 40 DFAB CC(C)Cn1c(SCCO)nc2sc3c(c2c1=O)CCC3 12697073 CGVSJQIQWSMSRF-UHFFFAOYSA-N 324.471 2.687 0 40 DFAB Cc1ccc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@H]3C2)s1 1888856616 KPLCRUPQXGHTDG-TXEJJXNPSA-N 319.455 2.721 0 40 DFAB CCc1cccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)c1 24842309 BMPUGKZPEAKTCS-GFCCVEGCSA-N 315.398 2.697 0 40 DFAB c1ccc(CN2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 24864960 VXMRFXYNJMRCHH-UHFFFAOYSA-N 324.384 2.647 0 40 DFAB Cc1nn(CCNC(=O)c2ccncc2)c(C)c1-c1ccccc1 238883592 PRESGGRMBOXENF-UHFFFAOYSA-N 320.396 2.992 0 40 DFAB COc1ccc(CC(=O)Nc2cc(OC)ccc2OC)cc1 585160 GJKGOUIPMHXSAV-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 4851992 HOIOQNNJRKOVTD-UHFFFAOYSA-N 312.300 2.852 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@@H]1CCCN1c1ccccc1 206583136 HUEMOZJDZLRRMD-HNNXBMFYSA-N 306.365 2.952 0 40 DFAB CSc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)no1)n2C 101315371 QRAWASMAHOBTEY-CCEZHUSRSA-N 319.411 2.999 0 40 DFAB CCc1ccc(C(=O)CN2C(=O)C3(CCCC3)N=C2O)s1 7391991 OHCCIKSXQRPVEQ-UHFFFAOYSA-N 306.387 2.562 0 40 DFAB CN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)C(C1CC1)C1CC1 50400835 PVRRBJRTIADIEG-INIZCTEOSA-N 316.376 2.966 0 40 DFAB Cc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1 31649884 YSBLLFHESFFJQN-UHFFFAOYSA-N 324.369 2.808 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H]3CCCOC3)c12 40556127 DSWSCLGFPNTAPW-LLVKDONJSA-N 315.373 2.565 0 40 DFAB CCC(=O)Oc1sc(NCCc2ccccc2)[n+](C)c1C 162684 CAISBBBQANHCSW-UHFFFAOYSA-O 305.423 2.851 0 40 DFAB CNC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 416386 OVKUDLLEZCUKEG-UHFFFAOYSA-N 314.414 2.646 0 40 DFAB COC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)C2CC2)C1 69744833 HPZDXIYSJUPBFA-OAHLLOKOSA-N 316.401 2.656 0 40 DFAB O=C(N/C(=C\c1ccco1)C(=O)N1CCCCC1)c1ccco1 2949112 VPIAASHQBLIXSS-OWBHPGMISA-N 314.341 2.656 0 40 DFAB Cc1ccn2cc(-c3ccc(OC(=O)N(C)C)cc3)[n+](C)c2c1 387380 CBYYUYLMABDSRS-UHFFFAOYSA-N 310.377 2.800 0 40 DFAB COc1ccc(C(C)=O)cc1Cn1c(-c2ccccc2)noc1=O 60242472 LNNKRRAAGQXDHI-UHFFFAOYSA-N 324.336 2.763 0 40 DFAB CCCc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl 8021113 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CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cc(F)ccc1C)C2 108533957 VURXJFSRBAHPCK-FUHWJXTLSA-N 304.409 2.872 0 40 DFAB Cc1cc(C)n(CCCNC(=O)Cn2c(C)cc3ccccc32)n1 23246663 UXKSLWXDPGSMPX-UHFFFAOYSA-N 324.428 2.970 0 40 DFAB O=C(NCc1ccccc1Cl)c1nc(-c2ccncc2)no1 12390338 JVASVLPVKHMRPU-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB COc1cccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 47244367 RKUXCWVPAXFGMR-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)s1 42841557 VSSJETMGHTYUJP-UHFFFAOYSA-N 304.371 2.785 0 40 DFAB O=C(OCCO)c1cc(-c2ccccc2)nn1-c1ccccc1 24502540 OHDHDRCDLMGEGD-UHFFFAOYSA-N 308.337 2.688 0 40 DFAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nc2ccccc2s1 106531903 VRVHZBDQJZZYHE-DRZSPHRISA-N 301.415 2.919 0 40 DFAB CN(C(=O)CSc1ncn(-c2ccccc2)n1)C1=CCCC1 25045914 VGRSRFSRJUNZRJ-UHFFFAOYSA-N 314.414 2.886 0 40 DFAB COc1ccc(CN(C)C(=O)c2n[nH]c3ccccc23)cc1F 25139599 WXORNMNEQKCDQE-UHFFFAOYSA-N 313.332 2.983 0 40 DFAB NS(=O)(=O)c1ccc(-c2csc(-c3ccoc3)n2)cc1 78526925 WUZHVKCBGYZSNM-UHFFFAOYSA-N 306.368 2.718 0 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0 40 DFAB Cc1c(C)n(C[C@@H](O)CNC[C@H]2CCCO2)c2ccc(F)cc12 28297181 IQQFXGBJTGSHAZ-JKSUJKDBSA-N 320.408 2.527 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C)no2)cc1 12692989 ZZPJMPDXRDOJOA-RMKNXTFCSA-N 300.314 2.812 0 40 DFAB O=C(NCc1ccc(N2CCCC2=O)cc1)OCC(F)(F)F 48260833 TYTKGABANOOAQG-UHFFFAOYSA-N 316.279 2.602 0 40 DFAB CC(C)Oc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1 3486161 MUAIUXDGAGXKEN-UHFFFAOYSA-N 305.374 2.689 0 40 DFAB COc1ccc(-c2nc3ccccc3n2O[C@@H](C)C(=O)O)cc1 4001967 KVNRVXAENSGBCT-NSHDSACASA-N 312.325 2.614 0 40 DFAB C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 13986438 VZSCEGKWYBXCLD-LBPRGKRZSA-N 300.383 2.529 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1Cl 14181930 KUNPDMKHOYIEQP-MRXNPFEDSA-N 300.789 2.752 0 40 DFAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc(F)cc1 4520367 DITRHERLQQIVDS-FZMZJTMJSA-N 307.369 2.785 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC 69528721 BFIZLJUORIJFKW-LSDHHAIUSA-N 305.422 2.634 0 40 DFAB COc1ccccc1-c1noc(COC(=O)c2ccco2)n1 7166973 SYVUILNDAYZKTD-UHFFFAOYSA-N 300.270 2.695 0 40 DFAB CC(C)c1ccc(OCCC(=O)NCCCn2ccnc2)cc1 69697773 FJLAXZZYDXQTQC-UHFFFAOYSA-N 315.417 2.982 0 40 DFAB COc1cccc(NC(=O)CSc2nc3ncccc3[nH]2)c1 8568130 WQJUGCVJCAGOPW-UHFFFAOYSA-N 314.370 2.697 0 40 DFAB CC1CCC(NC(=O)Cc2csc(N3CCCC3=O)n2)CC1 19310225 DYBAIDOXMYFWGD-UHFFFAOYSA-N 321.446 2.507 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@@H]1CCC[C@H]1O 78951762 CZKCQCKJFBSWHS-SMDDNHRTSA-N 304.415 2.862 0 40 DFAB CCS[C@H]1CCCCN([C@@H](C)c2nc(-c3nc[nH]n3)no2)C1 78971233 OQPGSAVNMJLKMP-QWRGUYRKSA-N 322.438 2.523 0 40 DFAB CCc1nc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)co1 96011677 OAYVUZXBLXSPBJ-UHFFFAOYSA-N 324.384 2.970 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c(=O)[nH]1 84131006 DRFGNMJHNPVNEG-UHFFFAOYSA-N 309.325 2.954 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCc2ccccc21 9365372 COTHIUCQGPJUCI-HNNXBMFYSA-N 317.410 2.969 0 40 DFAB Cn1ccnc1[C@H](NC(=O)C1CCCC1)c1ccc(F)cc1 9378303 ADMADRLIWSKQSD-OAHLLOKOSA-N 301.365 2.955 0 40 DFAB CSc1cccc(N(C)S(=O)(=O)N2CCCCC2)c1 72297050 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DFAB Cc1nnc(-c2ccccc2C(=O)OC[C@H]2CC[C@H](C)O2)o1 97056385 XGESWGVMRQLJEU-CMPLNLGQSA-N 302.330 2.769 0 40 DFAB Cn1cc(N2CCC[C@@H](N[C@@H](c3ccccc3)C3CC3)C2=O)cn1 97034198 VXEPTPKPMBQIHI-MSOLQXFVSA-N 324.428 2.656 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1cncc(Cl)c1Cl 97046991 CYYYHVLOYGIBBK-UHFFFAOYSA-N 313.188 2.920 0 40 DFAB CCCC[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1Cl 79025456 YVOUAOKAOQHIDR-ZDUSSCGKSA-N 309.797 2.863 0 40 DFAB CCCCOC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1 97124116 CWQXDCVZCHVQNM-BOLDSZDNSA-N 319.426 2.945 0 40 DFAB CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccnn1C 97228031 XHKPGQPSXHSYGD-UHFFFAOYSA-N 301.243 2.855 0 40 DFAB Cc1c(C(=O)N[C@H](CO)c2ccccc2)cnn1C1CCCC1 97233056 RXNVBAAKASXPNL-QGZVFWFLSA-N 313.401 2.770 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)c2ccc(C)s2)cc1 97232673 YOIRRCQNGCJMIU-AWEZNQCLSA-N 305.399 2.871 0 40 DFAB Cc1ccccc1OC[C@H](O)CN[C@@H](C)c1c(C)noc1C 95405648 ANKNRSFXYIGWBI-SWLSCSKDSA-N 304.390 2.690 0 40 DFAB CS[C@H](C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 95441314 ZKRGTUWFFUYZHH-CYBMUJFWSA-N 322.474 2.723 0 40 DFAB C[C@@H](NCCc1ccccn1)c1ccc(S(C)(=O)=O)c(F)c1 95419147 ZFIIFEPEEJJNQT-GFCCVEGCSA-N 322.405 2.518 0 40 DFAB CCOc1ccc(NC(=O)NCc2cn3ccsc3n2)cn1 84810937 KWOGMYMENCHFCO-UHFFFAOYSA-N 317.374 2.511 0 40 DFAB Cn1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cn1 95964449 GXZHQSMLDQHQLS-QGZVFWFLSA-N 311.385 2.749 0 40 DFAB Cn1cc([C@@](C)(O)CN[C@H]2CCc3cc(Cl)ccc32)cn1 95968408 CQJBYOLSOWDGMF-HOTGVXAUSA-N 305.809 2.558 0 40 DFAB Cc1cnc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)o1 95984669 SSALJTGGNAITFH-GFCCVEGCSA-N 301.346 2.790 0 40 DFAB CC(C)COCCCNC(=O)c1coc(Br)c1 74353048 XOLKAKJRYUFXAG-UHFFFAOYSA-N 304.184 2.835 0 40 DFAB CCc1cnc(CCNC(=O)N2CCOC3(CCCC3)C2)s1 89289651 HZYVFGSZRBYFRN-UHFFFAOYSA-N 323.462 2.603 0 40 DFAB CC(=O)c1c(F)cccc1NCCNC(=O)c1ccc(O)cc1 89265770 REHRLOADELSZLM-UHFFFAOYSA-N 316.332 2.576 0 40 DFAB CC(C)[C@H]1CN(C(=O)NCCCC(C)(C)CO)CCS1 86406878 NXPQZCVJAJUPJA-CYBMUJFWSA-N 302.484 2.568 0 40 DFAB COc1cccc(OC)c1C(=O)NCCOCc1ccccc1 177425613 NQFZHJNZMGKMHD-UHFFFAOYSA-N 315.369 2.650 0 40 DFAB Cc1csc(CCNC(=O)c2ccc(F)c(F)c2F)n1 31849218 LEZHAWKWDZMTDS-UHFFFAOYSA-N 300.305 2.841 0 40 DFAB Cc1ccccc1[C@H](CO)NC(=O)CCc1c(C)noc1Cl 536422388 NNWVULLLCQXDDF-AWEZNQCLSA-N 322.792 2.727 0 40 DFAB COCCN(C)C(=O)[C@@H](C)c1ccc(Br)s1 79675770 GLTDUQWGWJHRFY-QMMMGPOBSA-N 306.225 2.719 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(C)c1Cl 189964812 URKHBQOEQQPBOM-GFCCVEGCSA-N 324.808 2.614 0 40 DFAB CNC(=O)c1ccc(Sc2ncc(C(C)C)n2C2CC2)nn1 74765283 IFJIZXIPFBGUDG-UHFFFAOYSA-N 317.418 2.642 0 40 DFAB OCc1nnc(S[C@H]2CCc3ccccc3C2)n1C1CC1 127917867 MVYHDNBTMYMCQV-AWEZNQCLSA-N 301.415 2.755 0 40 DFAB COC(=O)CC1(CC(=O)N(C)c2cccc(C)n2)CCCC1 187932610 YEGODLRDJVJBCL-UHFFFAOYSA-N 304.390 2.866 0 40 DFAB COc1cc(NC(=S)NC(C)C)c(Cl)cc1C(=O)O 216930215 YSBSSSFIGQXCMV-UHFFFAOYSA-N 302.783 2.742 0 40 DFAB Cc1nnc(CN(C)[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)o1 79442893 QBJILTMHDMSISW-WMLDXEAASA-N 314.433 2.720 0 40 DFAB CC(C)(C)SCCOC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 79037410 JKKKYIOFEIUISP-HZMBPMFUSA-N 317.476 2.515 0 40 DFAB CCc1nc(CCNC(=O)NCc2csc(CC)n2)cs1 78663554 YNOODZMENQCOIZ-UHFFFAOYSA-N 324.475 2.766 0 40 DFAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1Cl 72228225 LNDXGXJATIIVBO-CABCVRRESA-N 304.752 2.890 0 40 DFAB O=C(c1ccncc1)N1CCC(Oc2ccc(F)cc2)CC1 49706336 DSQWOLRFIHNFJE-UHFFFAOYSA-N 300.333 2.904 0 40 DFAB O=C(Nc1ccccc1)NC1CCN(Cc2ccccn2)CC1 45754078 VIRLUDWFQHJTCK-UHFFFAOYSA-N 310.401 2.868 0 40 DFAB CCCOC(C)(C)C(=O)Nc1ccc(OCCOCC)nc1C 225903100 PEWJJPFXOLNAOX-UHFFFAOYSA-N 324.421 2.949 0 40 DFAB CCCc1nnc2sc(NC(=O)/C=C/c3ccccc3)nn12 41108733 SGNMFHJXRMDUFW-MDZDMXLPSA-N 313.386 2.790 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(N)cc1Br 226238000 VASMLCSKNJPMCS-UHFFFAOYSA-N 316.224 2.644 0 40 DFAB COc1cccc(OCC(=O)N[C@@H](C)c2ccccc2OC)c1 48439925 QXOKNQUTEATASG-ZDUSSCGKSA-N 315.369 2.960 0 40 DFAB Cn1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cn1 49547066 UMJSCFIQZOYFFZ-AWEZNQCLSA-N 307.357 2.789 0 40 DFAB Cc1ccc(-n2cnc(C(=O)NCCCn3ccnc3C)c2)cc1 227116171 XWHVYAICCCKVAT-UHFFFAOYSA-N 323.400 2.506 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccco2)CCO1 80569856 VKDONPDHNCHREF-INIZCTEOSA-N 300.358 2.871 0 40 DFAB Cc1ccccc1[C@H]1CN(C(=O)C[C@H](N)c2ccccc2)CCO1 195544224 OHHMJDCKBIBCHD-RBUKOAKNSA-N 324.424 2.985 0 40 DFAB CN(Cc1ncon1)C(=O)c1ncccc1Oc1ccccc1 225667956 TWWHQDDKJIICTA-UHFFFAOYSA-N 310.313 2.529 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 195541570 QCIVXYPQGJKXEL-WZRBSPASSA-N 309.312 2.534 0 40 DFAB O=C1CCC(=O)N1Cc1csc(Nc2ccccc2F)n1 96124534 SIYMBTRMFUAKIH-UHFFFAOYSA-N 305.334 2.675 0 40 DFAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96047993 FRPSPZADSIBYBL-SFHVURJKSA-N 315.461 2.547 0 40 DFAB COC[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1Br 96470658 PAXDBFTUBDICIU-QWRGUYRKSA-N 314.223 2.779 0 40 DFAB COCc1noc(Cc2cc(Cl)c3c(c2)OCCCO3)n1 95394462 FEURTXPMXLIJCA-UHFFFAOYSA-N 310.737 2.622 0 40 DFAB O=S1(=O)CCc2ccc(NCc3cnc(Cl)s3)cc21 179286133 BTVFJUOKRMZXCO-UHFFFAOYSA-N 314.819 2.738 0 40 DFAB O=C1OCCN1CCN1CC[C@@H](CSc2ccccc2)C1 96441654 GZZFHRXGIQAMFO-CQSZACIVSA-N 306.431 2.553 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)C(C)(C)c2ccccc2)o1 96444511 LCRCAHLWNXCPQI-GOSISDBHSA-N 301.386 2.890 0 40 DFAB Cc1cc(CN(CCO)c2ccc(Br)cc2)no1 96483965 MNTKHFBBDNTEQI-UHFFFAOYSA-N 311.179 2.744 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@@H]12 248114198 IDOZTHVDEJBFEB-MJGOQNOKSA-N 310.397 2.768 0 40 DFAB Cc1ncccc1C(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257250728 JNURQYZSXDVKMA-FHLIZLRMSA-N 323.396 2.715 0 40 DFAB O=C1c2ccccc2CCN1C1CCN(Cc2ccccn2)CC1 257334174 YEVSCMATDTYNML-UHFFFAOYSA-N 321.424 2.745 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN2Cc2cccnc2)n1 257250697 JNQFBUULAZIRIM-HNNXBMFYSA-N 320.400 2.907 0 40 DFAB O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1cnccn1 85467875 JJQSSZKMQUZKJO-MRXNPFEDSA-N 324.359 2.631 0 40 DFAB COCCN(Cc1ccoc1)C(=O)c1cccnc1SC 85474263 HUJMGLLHFSUVGS-UHFFFAOYSA-N 306.387 2.685 0 40 DFAB CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(CO)c(F)c2)CCO1 272815487 MNGLHICGUDDVLU-DYVFJYSZSA-N 323.408 2.776 0 40 DFAB O[C@H]1CCCC[C@@H]1N1CCN(c2ccc(Cl)cc2F)CC1 575435706 JNKGEQFYLDBKFX-HOTGVXAUSA-N 312.816 2.905 0 40 DFAB CCCC(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CS2)C1 575402951 GBJUPSGGOGJOLH-HNNXBMFYSA-N 320.458 2.793 0 40 DFAB Cc1nc(CSCC(=O)NC2(c3ccccc3)CCC2)no1 45646844 TTXMMJYAEOVXKX-UHFFFAOYSA-N 317.414 2.807 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccnc(Cl)c2)n1 48405550 QQMYDGRQTRFIAA-SNVBAGLBSA-N 306.797 2.614 0 40 DFAB COc1ccccc1C1(CNC(=O)NC2CCSCC2)CC1 69975804 GWBXFYVVRDFKEW-UHFFFAOYSA-N 320.458 2.922 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1CCOC1=O)[C@@H](C)C2 97079955 YDCGTYPWLJZAJC-GUYCJALGSA-N 316.401 2.577 0 40 DFAB FC(F)(F)c1nnc2ccc(N3C[C@H]4CCCC[C@H]4C3)nn12 301535276 IQOUVUAHOWNTSZ-AOOOYVTPSA-N 311.311 2.770 0 40 DFAB Brc1cncc(N2CCC(N3CCCC3)CC2)c1 96453541 BWISFGVAKUPYML-UHFFFAOYSA-N 310.239 2.909 0 40 DFAB C=CC(=O)Nc1cc(C(=O)NC)cc(-c2n[nH]c3ccccc23)c1 1857797439 OIVBYXJDKPKZFE-UHFFFAOYSA-N 320.352 2.714 0 40 DFAB CC(C)C(=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12117168 CSALEZGGAYSINQ-OAHLLOKOSA-N 310.401 2.901 0 40 DFAB OCCN(Cc1cnn(-c2ccccc2)c1)Cc1cccs1 13997542 WOMUFOHPFSNJQQ-UHFFFAOYSA-N 313.426 2.928 0 40 DFAB CCn1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 16162739 JOXSHTCJLGQLMW-YBEGLDIGSA-N 323.421 2.895 0 40 DFAB C[C@@H](C(=O)N[C@@H](c1ccncc1)c1cccs1)n1ccnc1 19079772 LUUILBGADXEILX-WFASDCNBSA-N 312.398 2.806 0 40 DFAB Cc1nc2cc(-c3ccoc3C)nn2c(NCCN(C)C)c1C 19555736 ORTNWNZAKSVEBZ-UHFFFAOYSA-N 313.405 2.888 0 40 DFAB COc1ccc([C@@H](NC(=O)CC2CCN(C)CC2)C2CC2)cc1 19748353 AAVRVDXTTZDHGC-IBGZPJMESA-N 316.445 2.994 0 40 DFAB CNCc1cc(NC)nc([C@H]2CCCN2CC2CCCCC2)n1 19760533 BHJLRXXQKALMJV-MRXNPFEDSA-N 317.481 2.955 0 40 DFAB C[C@H]1CN(C(=O)c2cc(N)c(Cl)cc2Cl)C[C@H](C)O1 226300994 RLECMLGFTSMHLM-YUMQZZPRSA-N 303.189 2.825 0 40 DFAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3cc(C)oc3C)C2)n1 253472281 LEZMSZWGISPFEV-AWEZNQCLSA-N 315.373 2.597 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)ncn1 1888843529 MKPLUUSMHVTQQD-UHFFFAOYSA-N 300.387 2.942 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@H](c2cc[nH]n2)C1 1848352338 KGBIXRSJWLUMQV-AWEZNQCLSA-N 308.385 2.840 0 40 DFAB Cc1ccc(CN(C)C(=O)CCc2ccc3c(c2)OCO3)o1 21972821 POUSHSLIMRHWSB-UHFFFAOYSA-N 301.342 2.908 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)c2cc(C)oc2C)cc1 30209185 ZDPZHUZFTAGEPK-UHFFFAOYSA-N 301.342 2.955 0 40 DFAB CC[C@H](C(=O)N1CCCN([C@@H]2CCOC2)CC1)c1ccccc1 1565522455 QNHTZSQEZHWJRU-MSOLQXFVSA-N 316.445 2.503 0 40 DFAB CC(C)CCN1CC[C@H]2[C@H](CC(=O)N3CCCCC3)OC[C@H]2C1 1565552574 NNDCGPCNVPQXPC-KURKYZTESA-N 322.493 2.772 0 40 DFAB COc1cccc(N2C[C@@H](NC(=O)c3cccc(C)c3)CC2=O)c1 5194713 OFLLTPBCHARKOR-HNNXBMFYSA-N 324.380 2.539 0 40 DFAB CC(C)CC(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975630 LFYCUJOMNXPWFB-UHFFFAOYSA-N 324.428 2.837 0 40 DFAB O=C(NCCc1cccs1)c1csc(-c2cnccn2)n1 44124300 AHZOHSKONXXAHP-UHFFFAOYSA-N 316.411 2.634 0 40 DFAB Cc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)s1 618256985 NRZIBTIAUZNTOB-CYBMUJFWSA-N 321.471 2.826 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc(-c2cccc(Cl)c2)on1 40087362 RLRKPWHTBPKYKH-LBPRGKRZSA-N 306.749 2.904 0 40 DFAB CC(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 40512542 DDYIDZNAHSRILO-GASCZTMLSA-N 304.434 2.568 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(C(C)C)no2)C1 51052096 ZKGDZIUVHNTFFP-ZIAGYGMSSA-N 322.453 2.710 0 40 DFAB O=C1O[C@H](C(Cl)(Cl)Cl)O[C@H]1C(Cl)(Cl)Cl 1670664 MURYNVIRLILSCR-NPKIIWCNSA-N 322.786 2.995 0 40 DFAB O=C(NC[C@H]1CCCO1)N1CCO[C@H](c2ccccc2Cl)C1 69774855 QXBXGKIZMYBAEK-DOMZBBRYSA-N 324.808 2.602 0 40 DFAB Cc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccccc1 20736342 MFAZJRCAOBWSOY-UHFFFAOYSA-N 304.313 2.688 0 40 DFAB COc1c(C)cc(CN(C)C(=O)c2n[nH]c3c2CCC3)cc1C 101529699 HPWMFQVTTXJFJY-UHFFFAOYSA-N 313.401 2.796 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CNc1cccc(Cl)c1 4157266 QRZWZSAHUUMHES-IOQCUFBNSA-N 302.761 2.517 0 40 DFAB Cc1ccn2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)nc2c1 69779477 AMCRWCAECQKCOL-OAHLLOKOSA-N 323.400 2.534 0 40 DFAB COc1ccc(CN(C)CC(=O)N2CCc3ccccc3C2)cc1 2633431 DKUBBFRXGFQXFP-UHFFFAOYSA-N 324.424 2.712 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2ccccc2OC)s1 32808680 KZBFLJALNAVEAT-UHFFFAOYSA-N 305.355 2.725 0 40 DFAB CCCNC(=S)N1CCC(C(=O)c2ccc(OC)cc2)CC1 8687189 XIJNGZLROJPROD-UHFFFAOYSA-N 320.458 2.874 0 40 DFAB COc1ccc(C(=O)NCCc2nc3cc(F)ccc3[nH]2)cc1 12128463 VDQBWFZYIJADJE-UHFFFAOYSA-N 313.332 2.683 0 40 DFAB Cc1ccccc1-c1nnc2s/c(=C/c3ccccc3)c(=O)n12 9189078 UHOKSJNWENEBEX-RVDMUPIBSA-N 319.389 2.674 0 40 DFAB COC(=O)C[C@H](NC(=O)c1cc(C)on1)c1ccccc1Cl 52972740 BGQYIEVXQUGYNV-LBPRGKRZSA-N 322.748 2.671 0 40 DFAB COc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 534120 ZXUMDWSSTDQNCU-UHFFFAOYSA-N 323.352 2.817 0 40 DFAB COc1ccc(CNC(=O)CSc2ccncc2)cc1OC 41589691 RDYNEXBZFVFJPF-UHFFFAOYSA-N 318.398 2.507 0 40 DFAB CCOCCCC(=O)NCCc1ccccc1Br 61263041 QMEFUHMPDDKOGW-UHFFFAOYSA-N 314.223 2.925 0 40 DFAB COC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C 12395815 APJMKPOADZSSHK-UHFFFAOYSA-N 311.341 2.739 0 40 DFAB CCc1nnc(NS(=O)(=O)c2ccccc2Cl)s1 33689164 YYKFEJLYILKCNI-UHFFFAOYSA-N 303.796 2.555 0 40 DFAB Cc1cc(NC(=O)NCCN2CCCc3ccccc32)no1 53747567 UVZHLSFBZQNEKM-UHFFFAOYSA-N 300.362 2.557 0 40 DFAB O=C(CSC1=NCCN1)Nc1cc(Cl)ccc1Cl 3266859 XLVFNSOERCNZJP-UHFFFAOYSA-N 304.202 2.624 0 40 DFAB O=C(c1cccs1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 54991951 NPRKTSNZKWFVPZ-QLFBSQMISA-N 302.443 2.718 0 40 DFAB CC(C)[C@H](C)CC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 102739888 UCHDVSXHOYHHPS-OCCSQVGLSA-N 316.401 2.513 0 40 DFAB COc1ccc(CCC(=O)NOCc2ccccc2)cc1OC 25036069 WOFJMHWNUGJJOY-UHFFFAOYSA-N 315.369 2.884 0 40 DFAB O=C1C[C@H](C(=O)NCc2cccc(F)c2)C2(CCCCC2)O1 57355704 FXEIBMARBIOQGW-CQSZACIVSA-N 305.349 2.708 0 40 DFAB OC1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 43585638 BOMAJRHPVMEAET-INIZCTEOSA-N 324.424 2.612 0 40 DFAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCC(C)C)cn2C 22237347 ILBUNVRHJCEPJB-UHFFFAOYSA-N 316.401 2.713 0 40 DFAB O=C1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1 3335857 USHMKLOEAHDGTN-UHFFFAOYSA-N 307.349 2.723 0 40 DFAB O=C(CN1CCN(c2ccccc2)CC1)NCC1CCCCC1 57290081 RMWOXXXZDWPIJI-UHFFFAOYSA-N 315.461 2.505 0 40 DFAB O=C(NCCc1ccccc1F)NC[C@H](O)c1cccc(F)c1 58293999 IXGDUKQCJOZXOH-INIZCTEOSA-N 320.339 2.540 0 40 DFAB COc1cc(C)c(CN2CCc3nc(C)ncc3C2)cc1OC 44977559 LVVMTAVZGASWOF-UHFFFAOYSA-N 313.401 2.669 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1 44978068 CMOXZKDRVGLUQS-UHFFFAOYSA-N 308.341 2.537 0 40 DFAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1nncs1 36357532 UWIIMLDAFGUJLB-UHFFFAOYSA-N 320.374 2.982 0 40 DFAB CCOC(=O)N1CCN(Cc2cc(-c3cccs3)on2)CC1 48375364 WEWRQKDZXCOTHU-UHFFFAOYSA-N 321.402 2.677 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCc4ccc(F)cc43)nc12 58977170 ZNVKKNORXFMLKY-UHFFFAOYSA-N 309.344 2.705 0 40 DFAB O=C1C[C@H](C(=O)N2CCc3ccccc3C2)c2ccc(F)cc2N1 12939069 AHDZBDBFHFJRDM-INIZCTEOSA-N 324.355 2.836 0 40 DFAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 13072563 XKLIQQXHTNSBQQ-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB O=C(NC1CC1)[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1 69537050 NFRIFPLBSSFRCX-INIZCTEOSA-N 323.352 2.553 0 40 DFAB CN(C)C(=O)[C@H](Oc1ccc(CC(=O)O)cc1)c1ccccc1 13421491 GCQCKJQCBQYVPP-QGZVFWFLSA-N 313.353 2.522 0 40 DFAB 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CCc1nc2cc(NC(=O)N3CCC[C@H](N(C)C)C3)ccc2o1 71921175 CANYNAVXMDEPSX-ZDUSSCGKSA-N 316.405 2.948 0 40 DFAB COC(=O)c1ccc(Cn2cnc3c(oc4ccccc43)c2=O)o1 9609439 PZYSLGZWAJCZGO-UHFFFAOYSA-N 324.292 2.571 0 40 DFAB CC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccs1 89947956 NFDSHDWENWMRBB-NEPJUHHUSA-N 303.449 2.688 0 40 DFAB O=C(Nc1ccc(O)cc1F)[C@H]1CCCN(CC(F)(F)F)C1 97082183 FFRLYPLPKUOMOL-VIFPVBQESA-N 320.286 2.744 0 40 DFAB Cn1cc(N2CCC[C@H](N[C@@H](c3ccccc3)C3CC3)C2=O)cn1 97034197 VXEPTPKPMBQIHI-ROUUACIJSA-N 324.428 2.656 0 40 DFAB CC(C)c1ccc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 97138822 KQTSGGIZSDLHDA-MNOVXSKESA-N 316.444 2.994 0 40 DFAB COCc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)o1 84637086 BRBFKYQGHYVANI-IUODEOHRSA-N 303.358 2.668 0 40 DFAB Cc1nc2c3ccccc3nc(N[C@H]3CCCC[C@H]3CO)n2n1 95400115 WFVXZXQCJMSGSR-JSGCOSHPSA-N 311.389 2.549 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCOc3ccc(F)cc32)o1 88264547 JGCHEHIPMJUFAN-UHFFFAOYSA-N 319.336 2.690 0 40 DFAB CCc1cc(N2CCC(COC)CC2)nc(-c2ccncc2)n1 78669851 CBNWPIKVJDIOKH-UHFFFAOYSA-N 312.417 2.964 0 40 DFAB Cc1ccc(N(C)C(=O)N[C@H](C)CCn2cncn2)c(C)c1 95964033 KYXIGZKBAIJTKP-CQSZACIVSA-N 301.394 2.520 0 40 DFAB C[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1csc(C2CC2)n1 95958912 RZGAVKANMIRHCP-LLVKDONJSA-N 320.462 2.571 0 40 DFAB CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)CC2CCOCC2)C1 95961845 QLBVWOLDSSNYHU-CABCVRRESA-N 303.468 2.547 0 40 DFAB C[C@H](NC(=O)N[C@]1(C)CCOC1)c1cc(F)c(F)c(F)c1 95975361 NTHSMGRGTMEWQY-RMLUDKJBSA-N 302.296 2.643 0 40 DFAB CCSc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccn1 78870249 JTMOIPIXEYPNQG-TZMCWYRMSA-N 307.463 2.748 0 40 DFAB C[S@@](=O)c1ccc(CNc2ccc(-n3cncn3)cc2)cc1 89493205 NGTNXIDYFCQVIU-QFIPXVFZSA-N 312.398 2.617 0 40 DFAB O=C(Nc1ccccc1)[C@H](NCCO)c1ccc(Cl)cc1 408734475 UBPLTLHKWGMHJP-OAHLLOKOSA-N 304.777 2.602 0 40 DFAB CCN(C)[C@H](C(=O)NCCc1csc(C)n1)c1ccccc1 78402270 KDZZZXRQJHUSTB-INIZCTEOSA-N 317.458 2.803 0 40 DFAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccc3)ccc2N1 78403781 WPYZDZAIQYCCOV-GFCCVEGCSA-N 302.399 2.522 0 40 DFAB O=C(c1ccc(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1 541432583 LUPDCMCYIKWNHX-UHFFFAOYSA-N 324.380 2.641 0 40 DFAB C[C@H]1NC(=S)N(c2ccc(NC(=O)OC(C)(C)C)cc2)C1=O 71857603 FJKDYUPSJWOWQQ-SECBINFHSA-N 321.402 2.643 0 40 DFAB COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2C)cc1 74923822 MHLIUJSTCYDXAT-UHFFFAOYSA-N 323.389 2.664 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)C1(c2ccccc2)CCOCC1 72264677 DFNLEPUBCLVWIB-UHFFFAOYSA-N 313.401 2.724 0 40 DFAB Nn1c(SCc2ccc(F)cc2)nc2cc(F)ccc2c1=O 71327737 WZBPYILWTMQOFL-UHFFFAOYSA-N 319.336 2.681 0 40 DFAB COC(=O)NCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 78151006 YRDNSQIVNWFTHS-HZPDHXFCSA-N 318.417 2.650 0 40 DFAB CSc1ncc(C(=O)O)c(N2c3ccccc3C[C@H]2C)n1 226105650 FKYPZHFUOLCVDS-SECBINFHSA-N 301.371 2.979 0 40 DFAB CC[C@H](N[C@H](C)c1nnnn1C1CCCCC1)[C@@H]1CCCO1 225548165 NBPKDRXBNNCDJD-SNPRPXQTSA-N 307.442 2.787 0 40 DFAB CCn1ccnc1CNC(=O)N[C@H]1CCc2ccc(F)cc21 569318886 VLENEARMKTWWRM-AWEZNQCLSA-N 302.353 2.529 0 40 DFAB NC(=O)COc1ccc(CNCc2ccc(Cl)s2)cc1 45822275 OATFWPCCXFVEAH-UHFFFAOYSA-N 310.806 2.555 0 40 DFAB COc1cc(Br)c(OC)c2c1NC(=O)C[C@@H]2C 225811860 JZXUWTVSMJAURM-LURJTMIESA-N 300.152 2.912 0 40 DFAB COc1cc(C)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935301 XDFGHOVRZVURGZ-UHFFFAOYSA-N 322.821 2.934 0 40 DFAB O=c1oc2cccnc2n1CCSc1nc2ccccc2o1 89526890 RRTIGKDLQNJDDG-UHFFFAOYSA-N 313.338 2.923 0 40 DFAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(Cl)cc1 195530909 UZFNDTCOFUGVQO-KJEVXHAQSA-N 309.793 2.569 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1 141621866 PYQOPGPITDKQON-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB CN(C)c1nc(CN[C@@H](c2ccccc2)c2ncc[nH]2)cs1 97103775 ZZFOJACNICRCMR-AWEZNQCLSA-N 313.430 2.811 0 40 DFAB CC1=CCC[C@H](C)[C@H]1CN1CCN(CCN2CCCC2)CC1 97104769 XRZSXCOXCFAURY-OALUTQOASA-N 305.510 2.692 0 40 DFAB O=C(c1cccs1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053698 FNCCREVTAARUEP-JQWIXIFHSA-N 318.423 2.545 0 40 DFAB C[C@@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)CC1CCOCC1 96428045 ZLRUOUWICZWFDH-PBHICJAKSA-N 323.458 2.621 0 40 DFAB Cc1cc(NC(=O)N(C)C[C@H](C)O)nn1-c1cccc(Cl)c1 96495717 LUTBGNJQYISMKG-NSHDSACASA-N 322.796 2.679 0 40 DFAB c1ccc(CO[C@@H]2COC3(CCN(C4CCC4)CC3)C2)nc1 96106941 CVNYHIGZICHWCG-KRWDZBQOSA-N 302.418 2.774 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccs1)C2 96056853 NXGIKNUQMLDIGX-HOCLYGCPSA-N 309.431 2.796 0 40 DFAB Cc1occc1C(=O)N1CC2(CCN(Cc3ccsc3)C2)C1 96046492 SYHQPLBTOVRUGA-UHFFFAOYSA-N 316.426 2.998 0 40 DFAB OC[C@H](Nc1ncc(Br)cn1)c1ccc(F)cc1 96407652 BTWQVSAUKPHXOS-NSHDSACASA-N 312.142 2.524 0 40 DFAB CC[C@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)C(C)(C)C 96408865 VNFVZHITHCCLSV-QRQCRPRQSA-N 324.490 2.854 0 40 DFAB COCc1nc2n(n1)C[C@H](NC[C@@H](C)C1CCCCC1)CC2 583651985 XQJAIVZKZHIIDH-UKRRQHHQSA-N 306.454 2.545 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCCC[C@H]2[C@H](C)O)n1 248160904 LLFQEZLSHYEJPN-MJBXVCDLSA-N 311.426 2.539 0 40 DFAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2COCCO2)o1 245343999 WXCAZJRPFWYPFM-IVMMDQJWSA-N 307.390 2.557 0 40 DFAB CCn1nc(C(=O)N2CCC(C)(c3nccs3)CC2)cc1C 257275253 NOOIPKCWUYLFPI-UHFFFAOYSA-N 318.446 2.862 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccncc2)ccn1 257258108 KSKRODLVISOOJN-APHBUQMISA-N 308.385 2.895 0 40 DFAB O=c1ccc(-c2nnco2)cn1Cc1cc(-c2ccccc2)on1 43241795 NEIUZBIPYKZZIM-UHFFFAOYSA-N 320.308 2.602 0 40 DFAB OC1(Cc2cc(Br)ccc2Cl)CCNCC1 1083806365 NYRODCDJNXISKX-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(OC)c1 4118791 ITTSYVCKVDISBG-XNTDXEJSSA-N 324.336 2.801 0 40 DFAB Brc1cc(I)c2nc[nH]c2c1 237986893 ULARYZPZDKMXEI-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@H](O)C[C@@H]1C(F)(F)F 35029289 NSRYBKKCIAXQKZ-NWDGAFQWSA-N 303.280 2.711 0 40 DFAB COc1ccc(C[C@@H](C)NC(=O)C(F)(F)Cl)cc1OC 153031922 ZUDNSWQIGNNAJS-MRVPVSSYSA-N 307.724 2.583 0 40 DFAB C[C@@H](CC(=O)NCCNC(=O)c1ccccc1)c1ccccc1 25516838 HETMWXJYSNCRKU-HNNXBMFYSA-N 310.397 2.726 0 40 DFAB COC(=O)[C@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 4326824 RCGGIPXUVITGDY-QMMMGPOBSA-N 320.399 2.506 0 40 DFAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccccc3)cnc21 4479053 IEVJBBVBHDUTAS-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB Clc1cccc(COc2nc3ccccc3n3nnnc23)c1 15082379 FICGXZAGVYVEGX-UHFFFAOYSA-N 311.732 2.905 0 40 DFAB Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 36665094 FHIXAZNUEGJNEB-UHFFFAOYSA-N 300.749 2.650 0 40 DFAB CC(C)[C@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCCC1 40092485 UHOJBWDGNTUKFD-AWEZNQCLSA-N 317.389 2.785 0 40 DFAB CC(C)N1C[C@H](C(=O)N[C@@H](C)Cc2cccc(Cl)c2)CC1=O 40108221 WOMDVRJCGCIDIQ-GXTWGEPZSA-N 322.836 2.644 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)N1CCc2ccccc2C1 30981228 DECLSFDIILAJTQ-INIZCTEOSA-N 324.380 2.594 0 40 DFAB COC(=O)c1ccc(NC(=S)NCc2ccccc2)cc1 134370 OKOGEOVYWCFZIP-UHFFFAOYSA-N 300.383 2.960 0 40 DFAB COC(=O)c1ccc(NC(=O)NC(=O)Oc2ccccc2)cc1 138593 MMXBXHJPQWNGEG-UHFFFAOYSA-N 314.297 2.794 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N2CCc3[nH]c4ccccc4c3C2)on1 69736942 RFTHYAKGAYNDFM-LBPRGKRZSA-N 324.384 2.850 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1nnc(C3CC3)s1)C2 101353514 MHPXTYUTLXKEIZ-RYUDHWBXSA-N 321.450 2.552 0 40 DFAB CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 2554424 VUWKQWOFKSEXGA-UHFFFAOYSA-N 302.765 2.781 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncccn2)c1 6910897 HIWQLRYGGBAPAR-NSHDSACASA-N 301.371 2.799 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccncc2)C(C)C)c1 32725791 GQWPGFXROAYOTO-MRXNPFEDSA-N 311.385 2.783 0 40 DFAB O=C(NCc1ccco1)c1ccc(OC[C@@H]2CCCO2)cc1 2658278 AEGMFOKZDPPXCT-INIZCTEOSA-N 301.342 2.767 0 40 DFAB COc1ccc(CNC(=O)COc2ccc(F)cc2)cc1OC 8110701 AFCDFBZAEABOKI-UHFFFAOYSA-N 319.332 2.538 0 40 DFAB CC(C)c1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 32908682 YVBXVZDRUCRNRJ-UHFFFAOYSA-N 314.429 2.941 0 40 DFAB CSc1nnc(C)n1NC(=O)c1ccc(Cl)cc1Cl 107695827 OOZQRBJXVHTRCN-UHFFFAOYSA-N 317.201 2.999 0 40 DFAB CCOc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 10448980 QBHQQPJTKVNCTG-UHFFFAOYSA-N 305.399 2.705 0 40 DFAB Cc1ccc(OCCCC(=O)NCCCN2CCCC2)cc1 10539105 RYQVVRZZDWZNHP-UHFFFAOYSA-N 304.434 2.756 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@H](CC(C)C)c3ccccc3)nn12 21835507 OQAOGKFBKHLETG-OAHLLOKOSA-N 323.400 2.950 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1cc(=O)[nH]c2ccccc12 41686478 JIQVCXAAAXCZIQ-UHFFFAOYSA-N 308.337 2.506 0 40 DFAB CN(CCCNC(=O)c1cccc2[nH]ncc12)Cc1ccccc1 42023222 CSWXHAASTSCVSJ-UHFFFAOYSA-N 322.412 2.815 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1 57355417 VUGKNWCYZFCVLV-AEFFLSMTSA-N 314.429 2.903 0 40 DFAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 101128019 VFCCNJCFFPULCZ-YYIAUSFCSA-N 322.788 2.558 0 40 DFAB CSCC[C@@H]1NC(=S)N([C@H](c2ccccc2)C2CC2)C1=O 54372835 MFHCQJLMOIDSOM-UONOGXRCSA-N 320.483 2.976 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1[C@@H]3[C@H]4[C@@H]5C=C[C@H]3C(=C5)[C@@H]1[C@@H]24 104288480 QMPRSJAWTQVIDX-GPZDSBKMSA-N 315.372 2.656 0 40 DFAB COc1ccc(C(=O)Nc2ncc(Br)cn2)cc1 1402623 QJFAWWCAJOIMIX-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCc1ccc(Cn2ccccc2=O)cc1 55624017 YYXQHGOECUQOJD-MRXNPFEDSA-N 322.408 2.869 0 40 DFAB CCCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O 101313229 IDTKUSZGPSQOHO-UHFFFAOYSA-N 303.358 2.520 0 40 DFAB O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 107498000 VIARZJAMFLUZOB-ULQDDVLXSA-N 320.477 2.574 0 40 DFAB COc1cccc2c1N(CC(=O)N[C@H](C)c1ccco1)CCC2 26338753 HPGCRNQPIJTRJE-CYBMUJFWSA-N 314.385 2.918 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 57218569 IMKNVNIIMKCRIO-NSHDSACASA-N 300.399 2.863 0 40 DFAB COc1ccc(CC(=O)N2CCc3ccc(OC)cc3C2)cc1 57407776 IBFLMWJDGMRCGX-UHFFFAOYSA-N 311.381 2.831 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccnc1 100752828 GLSYREVHMQYNNW-GDBMZVCRSA-N 305.385 2.695 0 40 DFAB CN1CCN(C(=O)c2cc(C3CC3)on2)[C@H](c2ccccc2)C1 26937478 XQWRAYMMORAQRP-INIZCTEOSA-N 311.385 2.681 0 40 DFAB CCCCCC(=O)NC(=S)Nc1ccc(C(=O)OC)cc1 2052180 OEKVUPWIMYFBNO-UHFFFAOYSA-N 308.403 2.867 0 40 DFAB Cc1csc([C@H](NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)n1 110681573 FBKQBRYFUVFWLE-YVECIDJPSA-N 307.419 2.522 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(F)cc1 22531855 ONHGZIYHTUHWJT-UHFFFAOYSA-N 323.389 2.796 0 40 DFAB C[C@@H](Nc1ccccn1)c1ccc(S(=O)(=O)N(C)C)cc1 44977084 CUSLCCKUOXCTPW-GFCCVEGCSA-N 305.403 2.505 0 40 DFAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)C1CCC1)C3 44913549 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3439813 BLWFQUDSIXCBOC-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)NC3CC3)cc2F)C[C@H](C)O1 48538580 UAHSWNCKSZDVMV-QWRGUYRKSA-N 307.369 2.723 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(F)ccc2F)cc1 12904600 RKJJCGNTSBBNGV-UHFFFAOYSA-N 318.323 2.984 0 40 DFAB CC(=O)c1cccc(NC(=O)CCCNC(=O)c2ccco2)c1 12907105 VIWIDLMFLNDMOG-UHFFFAOYSA-N 314.341 2.631 0 40 DFAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F 3613051 FYSXHYGKNBFEJD-SNVBAGLBSA-N 304.296 2.722 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccs1 13388154 AEGCDRRBKUIRRO-NSHDSACASA-N 311.309 2.972 0 40 DFAB CCOC(=O)c1ccc(NC(=O)[C@](F)(OC)C(F)(F)F)cc1 4154841 SBBFZVNFDDMVNH-LBPRGKRZSA-N 323.242 2.676 0 40 DFAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(-n2ccnc2C)cc1 28244515 BOSMQHISIFCJGM-UHFFFAOYSA-N 309.373 2.783 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1Cc1cccc(Cl)c1)[C@@H]1C[C@@H]31 408617991 BOYPTLQINDHEIE-OJFNHCPVSA-N 313.784 2.893 0 40 DFAB O=C(OCC(=O)N1CCCCCC1)c1c[nH]c2ccccc12 6114935 FMZXUALCYKCLCG-UHFFFAOYSA-N 300.358 2.727 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)Oc2ccccc2)C1 6168384 NKUKAAGSKZZRLP-GDBMZVCRSA-N 319.401 2.646 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)NCc1ccccc1 6114934 JJEDDCLJGGSXLW-GFCCVEGCSA-N 312.398 2.526 0 40 DFAB CNC(=O)c1cccc(NC(=O)Cc2ccc(C)c(OC)c2)c1 14019014 UTCGZGYYTQOJHX-UHFFFAOYSA-N 312.369 2.544 0 40 DFAB Cc1c(NC(=S)NC(=O)CCC(C)C)cccc1C(=O)O 20151331 PMTUZRAWGJZGDV-UHFFFAOYSA-N 308.403 2.942 0 40 DFAB CC(C)[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCCC1=O 65588100 XHWMWPHMGKZFJH-MLGOLLRUSA-N 306.381 2.650 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC(F)(F)F)C1 69571364 DQYNUOAKOGEHID-AAEUAGOBSA-N 300.324 2.891 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ncn[nH]1 6404234 UMBPQSYVNXCBJX-UHFFFAOYSA-N 312.782 2.506 0 40 DFAB CC[C@@H](CO)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17269072 SQGCNWJYWREDCE-NSHDSACASA-N 317.780 2.652 0 40 DFAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NC1CC1 6654385 WIIKKNQJIKAJKY-UHFFFAOYSA-N 305.381 2.906 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@H](N2CCCC2)C1 66173577 LBNIDVBDUUNNPS-CVEARBPZSA-N 301.434 2.936 0 40 DFAB O=C(CN1Cc2ccccc2C1=O)Nc1ccc(F)cc1F 6875416 JRSSRFFDWVQOAD-UHFFFAOYSA-N 302.280 2.559 0 40 DFAB CCCNc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1 15083765 VEXMPAKAENRZHG-ZDUSSCGKSA-N 305.296 2.822 0 40 DFAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccon1 67709437 LGRPINYYJVMGTF-HNNXBMFYSA-N 322.368 2.727 0 40 DFAB c1ccc(OC[C@@H]2C[C@@H]3OCCN(Cc4ccoc4)[C@@H]3C2)nc1 306124559 BTOLSDAYMMHSTF-BBWFWOEESA-N 314.385 2.733 0 40 DFAB CCOc1ccc(N[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 7460470 AEUXNQQJTKFMRW-SNVBAGLBSA-N 320.418 2.938 0 40 DFAB CCOCc1nnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 9227148 HECKCDHCZXQDLT-RMKNXTFCSA-N 319.386 2.735 0 40 DFAB COC(=O)c1cnc2nc(-c3ccc(Cl)cc3)nn2c1C 9302863 GJIKHEGVXXEOSO-UHFFFAOYSA-N 302.721 2.540 0 40 DFAB CCc1nnc(SCc2nnc(-c3ccccc3OC)o2)o1 20034155 YNDGTJLCVOWMSP-UHFFFAOYSA-N 318.358 2.983 0 40 DFAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccs1 60341641 QOMPMVJBKJSRRZ-CYBMUJFWSA-N 311.428 2.714 0 40 DFAB Cc1cnc(CCN(C)Cc2sc(N(C)C)nc2C)s1 93807367 YRHXSDZZMRKNII-UHFFFAOYSA-N 310.492 2.957 0 40 DFAB CC[C@](C)(CC(=O)O)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 97035692 XXQMTSYSHLNFJN-GLKRBJQHSA-N 311.328 2.828 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1 71893680 QALZMXLGRITVEO-HIFRSBDPSA-N 303.406 2.845 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)on1 72232177 VIXAWPUZXHXBRI-LLVKDONJSA-N 304.350 2.509 0 40 DFAB CN(CC1CC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 83859087 SAUATPDFVASHBD-IRXDYDNUSA-N 308.466 2.526 0 40 DFAB Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2COCCO2)c1 71910502 FIJAAWXZGPPDLE-SJORKVTESA-N 303.402 2.854 0 40 DFAB Cc1cc([C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(C)C)c(C)s1 71903620 ZCIHQAXXFFCSSD-YPMHNXCESA-N 317.476 2.611 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@@H]2C[C@]23CCc2ccccc23)c(=O)[nH]1 87412677 YISKONGOFOTCMD-MGPUTAFESA-N 322.408 2.626 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC[C@H](O)c2ccc(F)cc2)o1 97159522 BQAJGSCLNNMSHM-HNNXBMFYSA-N 315.348 2.940 0 40 DFAB CC1(CNCc2ncc[nH]2)CCN(C(=O)OC(C)(C)C)CC1 97106944 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CSc1ccc(C)c(C(=O)NCc2nc(C(F)F)no2)c1 521396361 QPBWYPIMEIRZCQ-UHFFFAOYSA-N 313.329 2.968 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c(C2CC2)n1 1579664378 LAYSTDCGZLTILY-IAGOWNOFSA-N 307.397 2.622 0 40 DFAB C[C@@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)C1CC1 61976769 DMCJUEBRVDOCFO-CYBMUJFWSA-N 302.296 2.988 0 40 DFAB COC(=O)c1ccc(Cn2ccc(=O)c3cc(F)cc(F)c32)o1 40175576 FJWYAQSGAKFJSS-UHFFFAOYSA-N 319.263 2.708 0 40 DFAB COc1ccc(OC)c(C(=O)c2ccc(OC(C)=O)cc2)c1 43209995 IOHAHDUDGVCFAC-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB Cc1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1-n1cnnn1 95473777 RCQJHWZJRYPKTJ-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CSc2ccccc21 96411211 AUNWIVMBFUZYKD-MWLCHTKSSA-N 319.348 2.960 0 40 DFAB Cc1cc2cc(CN[C@@H](C)CN3CCN(C)CC3)oc2cc1C 96453973 LYTFXQJSHKIHQV-INIZCTEOSA-N 315.461 2.775 0 40 DFAB OC[C@@H](NCc1noc(C2CC2)n1)c1ccc(Cl)c(F)c1 97238440 FJFCJXGBJOULEV-GFCCVEGCSA-N 311.744 2.563 0 40 DFAB COc1ccc(C(N)=O)cc1NC(=O)[C@H](C)c1ccc(C)s1 96448277 VFQLMEXIBGLOBL-SNVBAGLBSA-N 318.398 2.906 0 40 DFAB C[C@H](NC(=O)C(F)(F)c1ccccn1)[C@@H](O)c1ccc(F)cc1 96495446 ROGYZRNNKMBACM-IINYFYTJSA-N 324.302 2.551 0 40 DFAB CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)CCc2ccccc2)O1 96186661 PPHMAFMXIMQHLK-SQNIBIBYSA-N 317.429 2.804 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 246581107 NLOKLZYHOWSEFE-HFTRVMKXSA-N 314.429 2.855 0 40 DFAB CN(C)c1ncc(CN2CCC(C)(c3nccs3)CC2)cn1 257300511 RUOPVVRCFWLCAC-UHFFFAOYSA-N 317.462 2.553 0 40 DFAB Cc1cc(C2CCN(Cc3cscn3)CC2)nc2ccnn12 257210635 BVNTWPOCNCFKDS-UHFFFAOYSA-N 313.430 2.874 0 40 DFAB CN(C)c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 257311553 UKACLHUXEUTBMA-QGZVFWFLSA-N 324.428 2.839 0 40 DFAB Cn1nc(CNC(=O)c2nc3ccccc3s2)cc1C1CC1 96099312 HYCOGVSIKVYCBR-UHFFFAOYSA-N 312.398 2.837 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)NCc1cccs1)OC 96385317 QCGSQVIRBMAKPT-OAHLLOKOSA-N 320.414 2.944 0 40 DFAB Cc1ncccc1CN1CC[C@@](O)(COc2cccc(F)c2)C1 585275014 TWJUFPPOYDFLCV-SFHVURJKSA-N 316.376 2.545 0 40 DFAB COc1cc(C)c(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 43405533 KFMZQXRAWGFSHQ-TXEJJXNPSA-N 308.378 2.653 0 40 DFAB O=C(O)c1ccc(C(=O)NCCc2cc3ccccc3[nH]2)s1 97036742 HWQMAEFCNGWGFL-UHFFFAOYSA-N 314.366 2.900 0 40 DFAB CN(C)Cc1ccc(CNC(=O)NC[C@]2(C)CCCS2)cc1 89919383 LNJROBAWASHFGK-KRWDZBQOSA-N 321.490 2.833 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H](Nc2ccccc2)C1 108119883 XSGHIMZJMCHXAA-YLFCFFPRSA-N 300.402 2.657 0 40 DFAB Cc1nc(C2CC2)ccc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 579674940 JELHDWLNTXNPJB-OAHLLOKOSA-N 312.373 3.094 0 40 DFAB C[C@@H](CNC(=O)c1cc2ccccc2o1)CC1(C)OCCO1 96418599 DNIJFZZSYMFXCY-GFCCVEGCSA-N 303.358 2.952 0 40 DFAB Cc1cc(NC(=O)[C@@]2(C)Cc3ccc(Cl)cc3C(=O)O2)no1 11690049 DIGYEHNHBZJVST-OAHLLOKOSA-N 320.732 2.747 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N[C@@H](C)c2cccs2)s1 13102440 ZUXXIAUQHIXXLY-QMMMGPOBSA-N 324.427 2.856 0 40 DFAB C[C@@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 169619970 AHBGVVDLUMLZGI-AXZKUDKPSA-N 305.418 2.674 0 40 DFAB COCCCNC(=O)c1ccc(-c2cc(N)ccc2Cl)o1 226350117 SYZHQHDSTYJBPS-UHFFFAOYSA-N 308.765 2.949 0 40 DFAB CC(=O)N1CC[C@@H]2CC[C@H](CNCc3ccccc31)N2C(C)C 643562118 DXOAVDIZQCJXKE-ZWKOTPCHSA-N 315.461 2.774 0 40 DFAB CO[C@H]1CCCN(Cc2cncn2C)[C@H]1Cc1ccc(F)cc1 643913816 IKZOISOAVFDWJS-ROUUACIJSA-N 317.408 2.781 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(F)c1 26378891 XSFKYZYQYNIBQA-IUODEOHRSA-N 308.378 2.527 0 40 DFAB O=C(Nc1n[nH]c2cc(Br)ccc12)c1cccnc1 79481409 LVJAVTWBZKYVDN-UHFFFAOYSA-N 317.146 2.973 0 40 DFAB Cc1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)c(C)c1 10250727 XMDCXAITMNYRDM-UHFFFAOYSA-N 308.341 2.930 0 40 DFAB COC(=O)c1ccc(C(=O)C(F)(F)Br)c(C)c1 575362524 TVCSVHJSPSTPTK-UHFFFAOYSA-N 307.090 2.952 0 40 DFAB CC(=O)OC(C)(C)C(=O)N1CCc2sc(Cl)cc2C1 618255545 FAWNDIBHUCCTNF-UHFFFAOYSA-N 301.795 2.628 0 40 DFAB O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1 116295 YRWKEEDITQJPCZ-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB in-vivo CCOc1ncccc1CNC(=O)c1cccc2ncccc12 31325413 KDHJILMPBAONEA-UHFFFAOYSA-N 307.353 2.959 0 40 DFAB O=c1c2ccsc2ncn1Cc1noc(-c2ccsc2)n1 31641398 MWCWFUOIGWPSBZ-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB C[C@H]1CN(Cc2ccc(CNC(=O)C3CCC3)cc2)C[C@H](C)O1 40512534 LRHHTLGHTQLBQA-GJZGRUSLSA-N 316.445 2.712 0 40 DFAB O=C(CCC1CCCCC1)NCc1ccc(-n2cncn2)nc1 40529468 YYFPAGBTEVZUOQ-UHFFFAOYSA-N 313.405 2.639 0 40 DFAB Cc1ncsc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 40530061 JKCDUWZANDYOIE-CYBMUJFWSA-N 306.362 2.804 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1cnc(C)cn1)c1ccsc1 31987522 FOYIOTOFFWAGKW-HNNXBMFYSA-N 318.446 2.659 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H](C)C3)ccc12 3231081 HSBQDORLZAYCFS-GFCCVEGCSA-N 315.369 2.739 0 40 DFAB c1ccc([C@@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)cc1 69741387 FZTGUMDHVJKTQU-HNNXBMFYSA-N 311.341 2.903 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cccnc1 100752826 GLSYREVHMQYNNW-HOCLYGCPSA-N 305.385 2.695 0 40 DFAB CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 7321721 IXJZULFUONHDSN-UHFFFAOYSA-N 315.807 2.931 0 40 DFAB CC(C)c1nnc(SCC(=O)NCc2ccccc2F)o1 32883634 LGAZVGJZIPIJGH-UHFFFAOYSA-N 309.366 2.741 0 40 DFAB COc1ccc(NC(=O)NCCCOCC(F)(F)F)cc1 32809039 POUKRNXRNDCJLH-UHFFFAOYSA-N 306.284 2.786 0 40 DFAB CC(=O)Oc1cc(OC(C)=O)c2c(C)c(Cl)c(=O)oc2c1 407229 FEJOAXXUQXUKNB-UHFFFAOYSA-N 310.689 2.605 0 40 DFAB Nc1nc(=O)c2c([nH]1)C[C@H](c1ccccc1)[C@@H]2c1ccccc1 8616191 SBDMJDUDXQFJHP-ZBFHGGJFSA-N 303.365 2.824 0 40 DFAB C[C@@H](NC[C@H](c1ccco1)N(C)C)C(=O)NCC1CCCCC1 21762909 TXNHEXGSPGYYRI-GDBMZVCRSA-N 321.465 2.557 0 40 DFAB COc1ccc([C@H]2c3c(noc3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 101090098 GLADHIRRYCIFRN-RCCFBDPRSA-N 315.369 2.636 0 40 DFAB Cc1cccc(C2(NC(=O)c3ccc(C(N)=O)nc3)CCCC2)c1 102868175 MZPGLZGLRSRZKQ-UHFFFAOYSA-N 323.396 2.688 0 40 DFAB Cc1cc(C)nc(NC(=O)c2nc(C(C)C)ncc2Cl)n1 50364866 VPTKOMIZYQTDMN-UHFFFAOYSA-N 305.769 2.913 0 40 DFAB CC(C)c1ccc(NC(=O)CCNc2ncnc3[nH]cnc23)cc1 12389135 WOKFZTFSSNPTON-UHFFFAOYSA-N 324.388 2.917 0 40 DFAB CCC(CC)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 23029446 WZVMYHTZTXHWBE-GFCCVEGCSA-N 308.447 2.905 0 40 DFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1OC)C3 20796394 ZXLSTCAQRMLIOR-LLVKDONJSA-N 322.368 2.608 0 40 DFAB O=C(Nc1ccccn1)c1ccc(I)cc1 12527147 RNHOFFVTPQIIIT-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB Cc1ccc(NC(=O)NCS(=O)(=O)c2ccc(C)cc2)cc1 1410678 VYCUVTNZCGWAMS-UHFFFAOYSA-N 318.398 2.856 0 40 DFAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1ccccc1Cl 55778582 GYVPMAYBISHFGS-ZDUSSCGKSA-N 324.833 2.536 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 107047805 PNWNRODDXOGSHJ-NUEKZKHPSA-N 319.401 2.696 0 40 DFAB CCCOc1c(Cl)cc(C(=O)NCCOC)cc1OCC 50080039 WUXJFVXJAJSSRX-UHFFFAOYSA-N 315.797 2.904 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)C[C@H](C)O1 57265366 LDABIDJKKGSQAF-UWVGGRQHSA-N 300.305 2.929 0 40 DFAB Cc1nccn1CCCNC(=O)N[C@@H](C)CCc1ccccc1 57443167 BKBKFWWNFYWTSG-HNNXBMFYSA-N 314.433 2.902 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1 3227279 MTXSWENEFRJQMW-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCCN(C)C 28243191 DMLATHYSMBYKLZ-UHFFFAOYSA-N 317.458 2.724 0 40 DFAB CN(CCc1ccncc1)C(=O)NCCc1ccc(F)cc1 58159985 NSIABDIJAMDILN-UHFFFAOYSA-N 301.365 2.647 0 40 DFAB CCc1ccc(Nc2nnc(S[C@H](C)C(N)=O)s2)cc1 3351290 GKIIREFLTNBLEO-MRVPVSSYSA-N 308.432 2.810 0 40 DFAB O=C(NCCc1ccccc1F)NC[C@@H](O)c1cccc(F)c1 58294002 IXGDUKQCJOZXOH-MRXNPFEDSA-N 320.339 2.540 0 40 DFAB O=C1C[C@]2(CCNC2)Oc2cc(OCc3ccccc3)ccc21 36141055 VVIVLJDMQBAWKU-IBGZPJMESA-N 309.365 2.963 0 40 DFAB CN(C(=O)Cc1cccs1)C1CCN(c2ccccn2)CC1 58313896 LSQNNCQBHLYEHZ-UHFFFAOYSA-N 315.442 2.813 0 40 DFAB CCc1cc(NC(=O)NCCCOC2CCCCC2)n(C)n1 70014603 ZQMNNBWQSWIOTF-UHFFFAOYSA-N 308.426 2.843 0 40 DFAB CCCc1nc(NC(=O)CCNc2ncccn2)sc1CC 58440657 SXPQBUZMUWFPBQ-UHFFFAOYSA-N 319.434 2.889 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N1C[C@@H](C)OC[C@H]1C 45445787 FBXVJDJYMJXFOA-VXGBXAGGSA-N 300.358 2.899 0 40 DFAB CC[C@]1(c2ccccc2)NC(=O)N(CN(C)C2CCCC2)C1=O 12914172 KNCSSJNODSMDEL-GOSISDBHSA-N 315.417 2.676 0 40 DFAB CCN(C(=O)CCOCCOC)C1C2CC3CC(C2)CC1C3 63295513 BNKWHXMQSUPAQC-UHFFFAOYSA-N 309.450 2.713 0 40 DFAB Cc1ccccc1CC(=O)N[C@@H](CC(=O)O)c1cccs1 13389692 JYRRVLWWTJCNEJ-ZDUSSCGKSA-N 303.383 2.931 0 40 DFAB COc1ccccc1COC(=O)Cc1ccc(NC(C)=O)cc1 17119756 ZZVBDUXBNNJHGJ-UHFFFAOYSA-N 313.353 2.940 0 40 DFAB COc1ccccc1[C@H](CC(=O)NCCCN(C)C)C(C)C 13692303 KYZUNURROVMMNV-MRXNPFEDSA-N 306.450 2.893 0 40 DFAB Cc1ccc(-c2nsc(C(=O)N3CCSCC3)c2N)cc1 62007079 OUOQCONZQZAFNT-UHFFFAOYSA-N 319.455 2.890 0 40 DFAB O=c1[nH]nc(SCc2coc(-c3ccccc3)n2)n1C1CC1 9722523 BLNVNPFOSWSSRY-UHFFFAOYSA-N 314.370 2.854 0 40 DFAB Cc1nn(CN2CCO[C@@H]3CCCC[C@@H]32)c(=S)n1C1CC1 65553300 IWRLPDWYTFCEIT-UONOGXRCSA-N 308.451 2.658 0 40 DFAB CN(C(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1 65595557 OELNFWZHHMDLRJ-MRXNPFEDSA-N 321.465 2.894 0 40 DFAB Cn1c(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n[nH]c1=S 65536407 INZWXQORAZALBH-LBPRGKRZSA-N 306.435 2.540 0 40 DFAB CCOCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1 4510372 NLTDNDLUSMNFPP-LBPRGKRZSA-N 321.402 2.871 0 40 DFAB Cc1nn(C)c(NC(=O)CSCC(=O)c2ccccc2)c1C 69668163 JDLWSXKIVRQRAR-UHFFFAOYSA-N 317.414 2.592 0 40 DFAB NC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 14710786 GUGALBAACIXJAF-ZDUSSCGKSA-N 322.286 2.662 0 40 DFAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NC1CCCC1 5703669 IOPMYRMTSJDXBY-LBPRGKRZSA-N 314.385 2.782 0 40 DFAB CCCN(CC1CC1)C[C@H](O)COCc1ccccc1OC 6941262 GZRUBNRKBZWSIV-KRWDZBQOSA-N 307.434 2.695 0 40 DFAB C[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20634637 KCXFBPJKYGOGIF-UEKVPHQBSA-N 322.355 2.575 0 40 DFAB Cc1cccc(N2CCN(C(=O)NCc3cccnc3)CC2)c1C 15520221 LFAFUGUAUAKXGI-UHFFFAOYSA-N 324.428 2.730 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)no1 67888482 KETSPLZGNDGPEP-GUOLPTJISA-N 301.346 2.644 0 40 DFAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc[nH]3)o2)CC1 18365811 MUSFFLBNFQKVBU-LLVKDONJSA-N 320.418 2.804 0 40 DFAB CC(=O)c1ccc(OCc2nc3ccccc3n2CC(=O)O)cc1 7467070 JEFVCYRSHFWKQV-UHFFFAOYSA-N 324.336 2.903 0 40 DFAB CCn1nnnc1NCc1ccc(OCc2cccs2)cc1 7602637 WBHNZSYMNXLQIW-UHFFFAOYSA-N 315.402 2.946 0 40 DFAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)N1CCCCCC1 8855664 ULGFMIUCBBTZOT-ZDUSSCGKSA-N 315.373 2.907 0 40 DFAB C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCO2 90803240 JQMDPBUDSOXHTB-ZFWWWQNUSA-N 311.385 2.740 0 40 DFAB Cc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1 9117611 NOMLTLFWNGSYCD-UHFFFAOYSA-N 316.426 2.803 0 40 DFAB CSCc1c(C(=O)O[C@H]2CCOC2=O)oc2ccccc12 9786497 PJGKVERBDSFHBH-LBPRGKRZSA-N 306.339 2.768 0 40 DFAB CC(C)=CC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96001083 PYKOQAVCQVUVLY-CQSZACIVSA-N 313.357 2.603 0 40 DFAB O=C(N[C@@H]1CCCCC12OCCO2)c1cc2c(F)cccc2[nH]1 89800293 DMGMLNQKLKELCN-OAHLLOKOSA-N 318.348 2.723 0 40 DFAB C[C@H](Cc1cccs1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 93705961 OSYHGFHLLWQPKI-GFCCVEGCSA-N 305.447 2.841 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 97002849 SIQVWVUDDJNOSQ-GFCCVEGCSA-N 300.358 2.885 0 40 DFAB C[C@H](NC(=O)C(=O)Nc1cccnc1)c1ccc(F)cc1Cl 72291074 BHRVJBOQYCGDBM-VIFPVBQESA-N 321.739 2.690 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1csc2c1CCCC2 72278524 IRZBTCLZOSTXOE-LLVKDONJSA-N 301.415 2.568 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@](C)(O)c2ccsc2)c1 97142954 ZXQSACHSYMJIGN-OAHLLOKOSA-N 305.403 2.789 0 40 DFAB CCN1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2)CC1=O 75892598 CNPMZXZYEVZWMT-CQSZACIVSA-N 312.369 2.681 0 40 DFAB Cc1ccccc1CN1CCC(C(=O)NC[C@H]2CCCO2)CC1 27623357 VRSFIIQFZDIWIC-GOSISDBHSA-N 316.445 2.502 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2c(C)n[nH]c2C)C1 76070109 MXRXMLZWSTWYKO-QWHCGFSZSA-N 310.467 2.571 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)N[C@@H]1COc2ccccc21 76086496 ILWIFZDEEYPMHA-CZUORRHYSA-N 313.401 2.779 0 40 DFAB CNC(=O)c1ccc(NC(=O)CC[C@H]2CCCO2)c(Cl)c1 95435091 AOEFAJGXGXLVLM-LLVKDONJSA-N 310.781 2.597 0 40 DFAB COC(=O)c1ccc(NCc2cccc(C(N)=O)c2)cc1Cl 95402839 PDBFTCMNHCMXIG-UHFFFAOYSA-N 318.760 2.838 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1 95445472 ILDWDMDIZRLLML-IUODEOHRSA-N 317.389 2.833 0 40 DFAB Cc1cc(NC(=O)N2CCC(CCCN(C)C)CC2)ccn1 95995691 RPZZAKJRHDDYQV-UHFFFAOYSA-N 304.438 2.976 0 40 DFAB CCC1(CC)[C@@H](NCc2nnc3n2CCCCC3)C[C@@H]1OC 95987740 NZZQCROMYYXCSB-KBPBESRZSA-N 306.454 2.688 0 40 DFAB Cc1cc(C(=O)Nc2ccc3[nH]ncc3c2)c2c(C)noc2n1 89582879 WNYKIXRIRDWFLU-UHFFFAOYSA-N 307.313 2.968 0 40 DFAB COc1cccc2c(C)c(C(=O)N3CCN(C)C[C@@H]3C)oc12 89568310 VDHDYOPYIVGKMT-NSHDSACASA-N 302.374 2.526 0 40 DFAB CCn1nc(C)cc1C(=O)Nc1cc(F)c(F)cc1C(=O)OC 78874412 QCXIPMSNHMZRGB-UHFFFAOYSA-N 323.299 2.529 0 40 DFAB CCN(C)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 75126728 JPLLAHADQVHADH-UHFFFAOYSA-N 310.419 2.887 0 40 DFAB CC(C)(C)c1noc(CN2CCN(c3ccccc3F)CC2)n1 41282525 AMFHPHRLHIJZHL-UHFFFAOYSA-N 318.396 2.828 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)CNC(C)(C)C)cc2)c1C 1548839838 ZFCYWEYRWTWHHV-UHFFFAOYSA-N 300.406 2.816 0 40 DFAB O=C(Nc1nc2ccccc2[nH]1)c1cc(=O)[nH]c2cc(F)ccc12 129460553 JCTQWRGPHBQVTG-UHFFFAOYSA-N 322.299 2.796 0 40 DFAB CSC[C@@H](C)NC(=O)NCCc1nc2ccccc2s1 74866440 NBSJLBXKKTWKMZ-SNVBAGLBSA-N 309.460 2.890 0 40 DFAB COc1ccc(-c2cc(C(=O)Nc3nccs3)n(C)n2)cc1 72402958 GUEPYXCFJBXLST-UHFFFAOYSA-N 314.370 2.805 0 40 DFAB COc1ccc(Oc2cncc([C@H]3CCCN3C(C)=O)n2)cc1 72361771 QVWJZPCKXKWKJJ-MRXNPFEDSA-N 313.357 2.961 0 40 DFAB OC1CCN(Cc2ccc(CNCc3ccco3)cc2)CC1 78553935 FNOHRXRSZVMMPS-UHFFFAOYSA-N 300.402 2.526 0 40 DFAB NC[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218577417 CMQWECWJHSUHFY-BZUAXINKSA-N 321.829 2.855 0 40 DFAB CCCN1CCN[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72352740 SGZSTCCOWSUTOT-GOSISDBHSA-N 309.413 2.502 0 40 DFAB Cc1cccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1C 521394375 PCOJKGOCLZYVTI-RDJZCZTQSA-N 313.401 2.687 0 40 DFAB C[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccccc3F)cc2C1 49551231 WBVBFKGACKGLAT-NSHDSACASA-N 314.360 2.569 0 40 DFAB Cn1cccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406181 DNOMXWWLUIZNBD-UHFFFAOYSA-N 318.804 2.802 0 40 DFAB N[C@@H](CC(=O)N1CCOc2cc(F)c(F)cc21)c1ccccc1 1580117568 AUSSHTMRSMKTTH-AWEZNQCLSA-N 318.323 2.780 0 40 DFAB O=C(NCCCc1ccccc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 222424019 MFRBGFQLDDSTEI-VVLHAWIVSA-N 313.397 2.648 0 40 DFAB C[C@@H](CNC(=O)Cc1ccon1)c1nc2ccccc2s1 96483087 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DFAB O=C(c1ccc2nsnc2c1)N1CCC2(CC1)CC2(F)F 650606286 AMRWHGVTOFHTAM-UHFFFAOYSA-N 309.341 2.953 0 40 DFAB COc1ccc(CNCC2CN(C(=O)OC(C)(C)C)C2)cc1 89661849 FAKOFCBYQCSXEP-UHFFFAOYSA-N 306.406 2.652 0 40 DFAB Cc1nc(CN2CC[C@@](O)(COc3ccc(F)cc3)C2)cs1 1615190399 CMILBUIMAXSCET-INIZCTEOSA-N 322.405 2.606 0 40 DFAB Cc1c(Br)cccc1CN1C(=O)[C@@H](C)[C@H](C)C1=O 101836553 GXTIIWMYCAPSKK-IUCAKERBSA-N 310.191 2.899 0 40 DFAB Cc1cc2c(cc1CN(CCO)Cc1cccs1)OCO2 13997539 FXOUSRQRTWEXBA-UHFFFAOYSA-N 305.399 2.780 0 40 DFAB CSc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2 2625644 BCHIIJFNHFLPNC-UHFFFAOYSA-N 302.355 2.827 0 40 DFAB CNC(=O)/C=C/CNC(=O)c1ccc(Oc2ccccc2)cc1 1889122807 UOFRCRDRFMFXFI-VMPITWQZSA-N 310.353 2.511 0 40 DFAB COC(=O)CCc1ccc(/C=C/C(=O)Nc2ncc(C)s2)o1 14016973 SFOKVVHEFISHPE-FNORWQNLSA-N 320.370 2.802 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)C3CCC(C)CC3)CC2)CN1C 1614938744 FKVFFLKZQRXCFD-JCYILVPMSA-N 322.493 2.772 0 40 DFAB CC(C)c1noc(CN2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087130917 JDEYBHQPLHVXOE-CYBMUJFWSA-N 322.453 2.662 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1)N1CC(OC[C@@H]2CCOC2)C1 1565523287 KXBMPWLGOHKHQW-BOTMBNHJSA-N 321.804 2.617 0 40 DFAB CCOc1nn(CC)cc1C(=O)NCCCc1ccccc1 9070289 HLWPQVUKLUZSPA-UHFFFAOYSA-N 301.390 2.664 0 40 DFAB COC(=O)CSc1nc(O)c2[nH]cc(-c3ccccc3)c2n1 21883802 YPOPCRKBHQXYDF-UHFFFAOYSA-N 315.354 2.596 0 40 DFAB O=C(N[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)C1CC1 2086881945 HWXNWTZMPXRTBU-LBPRGKRZSA-N 313.323 2.595 0 40 DFAB O=C(Nc1ccccc1NC(=O)N1CCCC1)C1CCOCC1 40119511 SQIIPMAQDIVSHY-UHFFFAOYSA-N 317.389 2.679 0 40 DFAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccsc1 40493712 YHNHWUTWZNHYLJ-MFKMUULPSA-N 300.383 2.756 0 40 DFAB CC(=O)Nc1nc(C(=O)OCc2nc3ccccc3o2)cs1 46084237 VQKHEBMMFFTRLZ-UHFFFAOYSA-N 317.326 2.600 0 40 DFAB COc1ccc2c(c1)CCC1=C2CC[C@@H](C(=O)O)[C@@]1(C)C(=O)O 1644687 GUWQXSOYJZJBPE-YJBOKZPZSA-N 316.353 2.981 0 40 DFAB Cc1ccnc(SCC(=O)NCc2ccccc2Cl)n1 32579416 KEJMUGGSECYRIJ-UHFFFAOYSA-N 307.806 2.847 0 40 DFAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 32517566 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O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(Cn2cncn2)c1 107312857 HVBFRXZWANTJAV-WBAXXEDZSA-N 324.428 2.769 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 35153175 NHTOKYQLFFUNIN-VIFPVBQESA-N 301.795 2.817 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 56642723 DEYSUAIFMRHAAJ-UHFFFAOYSA-N 312.373 2.543 0 40 DFAB O=S(=O)(c1cc(F)ccc1F)N(Cc1ccncc1)C1CC1 58055568 RSGGCGCAUDFKKX-UHFFFAOYSA-N 324.352 2.713 0 40 DFAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccncc1 44948656 CUQGJFCUCIJIQT-UHFFFAOYSA-N 310.275 2.839 0 40 DFAB Cc1c(C(=O)NO[C@H]2CCCCO2)cnn1-c1ccc(F)cc1 58329573 AAYSDPUHUAXSKN-HNNXBMFYSA-N 319.336 2.508 0 40 DFAB O=C(CCC(=O)N1CCC[C@@H]1CN1CCCC1)c1ccccc1 58368153 DSZGEFIYIKKZOX-QGZVFWFLSA-N 314.429 2.736 0 40 DFAB CCC(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 58310431 ACTSJGSVYJGZOM-HVHJFMEUSA-N 320.820 2.870 0 40 DFAB CN(C)CCn1cc(NC(=O)CCSc2ccccc2)cn1 58314394 SELXWDICPITLLU-UHFFFAOYSA-N 318.446 2.566 0 40 DFAB Cc1cc(CNC(=O)c2cccnc2SC(F)(F)F)on1 58406986 GLKNGQVSFFXTLF-UHFFFAOYSA-N 317.292 2.920 0 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COCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1 8990520 LAHFRXFUIORKNE-UHFFFAOYSA-N 312.373 2.513 0 40 DFAB COc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 9450603 GTLGZLPFQDIXMF-UHFFFAOYSA-N 314.366 2.992 0 40 DFAB COc1ccc(-c2nc(CC(=O)NC(C)C)cs2)cc1OC 9452709 OVGZHWOIVBFXRK-UHFFFAOYSA-N 320.414 2.894 0 40 DFAB C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Cn1cccn1 89900691 SSAFOCHPLFMHOG-LBPRGKRZSA-N 307.344 2.546 0 40 DFAB Cc1ccccc1C[S@](=O)[C@H](C)C(=O)NCc1ccccc1 71858841 RKQSHUBCJIICJK-IVZQSRNASA-N 315.438 2.949 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1 71865654 DJVCBYCUCLMTRO-KRWDZBQOSA-N 315.392 2.954 0 40 DFAB Cc1cc(C)c(CNC(=O)c2sc(C(C)C)nc2C)c(=O)[nH]1 72280543 GAXXTFBBZWSIMA-UHFFFAOYSA-N 319.430 2.810 0 40 DFAB c1coc([C@H](CNCc2cnc3ccccn23)N2CCCC2)c1 75572687 RFLYMLPVACZTDB-INIZCTEOSA-N 310.401 2.854 0 40 DFAB COc1ccc(NC(=O)c2ccc(Br)o2)cc1N 20344299 MKDKCLOOLJXPFY-UHFFFAOYSA-N 311.135 2.885 0 40 DFAB CSC[C@H](C)NC(=O)NC[C@@](C)(O)c1ccccc1Cl 97142725 VZBGUFIZBZBQAU-IINYFYTJSA-N 316.854 2.598 0 40 DFAB Cc1cccc(NC(=O)NCc2cnn(Cc3ccccc3)c2)n1 97142796 MOCBDWXCBMYODU-UHFFFAOYSA-N 321.384 2.957 0 40 DFAB O=C(NCc1ccnc2ccccc12)[C@H](C1CC1)N1CCCC1 97135325 KFZNBDJMGXLANF-SFHVURJKSA-N 309.413 2.725 0 40 DFAB Cc1cc(NC(=O)N(C2CC2)[C@H](C)C2CC2)ccc1C(N)=O 76070369 AONABACPSCXHIF-LLVKDONJSA-N 301.390 2.889 0 40 DFAB CC(C)N(C(=O)C(=O)c1cnn(-c2ccccc2)c1)C1CCC1 78186756 XRYLTORHDJETBH-UHFFFAOYSA-N 311.385 2.845 0 40 DFAB CCC[C@H](C)CS(=O)(=O)NCc1ccnc(OC(C)C)c1 95443800 BRIQGIUUXADVGC-ZDUSSCGKSA-N 314.451 2.724 0 40 DFAB COc1ccc(CCC(=O)OCc2ccnc(N(C)C)c2)cc1 95469286 DPHICWZHSPYSSM-UHFFFAOYSA-N 314.385 2.832 0 40 DFAB CC(C)n1cc(NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)cn1 95413324 UZHCALMLKVBYPS-DGCLKSJQSA-N 306.366 2.691 0 40 DFAB O=C(CNC(=O)C1CC1)Nc1cccc(Nc2ccccc2)c1 74072019 ZBSNCQPRXHHPEN-UHFFFAOYSA-N 309.369 2.895 0 40 DFAB COc1cc(C(=O)N[C@H](C)C[C@H](O)c2ccco2)ccc1F 95976803 GXBKWLQRJLXPQN-MFKMUULPSA-N 307.321 2.669 0 40 DFAB C[S@](=O)c1ccc(CNc2ccc(-n3cncn3)cc2)cc1 89493208 NGTNXIDYFCQVIU-JOCHJYFZSA-N 312.398 2.617 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCCN(C(=O)C2CC2)CC1 75017010 WDIQQRPCFJKPOS-UHFFFAOYSA-N 324.783 2.564 0 40 DFAB O=C(NCC1(O)CCCCCC1)c1cccc(C2OCCO2)c1 89774487 DZPMAOPAKLIBNI-UHFFFAOYSA-N 319.401 2.547 0 40 DFAB Cc1csc([C@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)n1 89705404 YDMZFKSOEUDSJK-CYBMUJFWSA-N 302.403 2.933 0 40 DFAB O=S(=O)(Cc1ccccc1)NCc1nc(C2CC2)cs1 122878987 WHYSGTMXXWNGIL-UHFFFAOYSA-N 308.428 2.640 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)CNC(=O)C2CCCC2)cc1 32914029 BUJMEUWJACAEFV-CYBMUJFWSA-N 302.418 2.733 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccc(C=O)s2)cc1 35587972 AAOIVJBLYFXNTA-LBPRGKRZSA-N 323.439 2.779 0 40 DFAB CC[C@H](NC(=O)c1cc(O)nc(C2CC2)n1)c1c(C)noc1C 517172382 LDEPLIJQFRFXDX-NSHDSACASA-N 316.361 2.546 0 40 DFAB Cc1nn(C[C@H](C)C(=O)NCc2ccccn2)c(C)c1Cl 32508858 NILNCWUUHAUGBI-JTQLQIEISA-N 306.797 2.501 0 40 DFAB COc1ccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)cc1 36635625 VFKSEAUUCBPLMD-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1ccc2ncc(CNc3cccnc3-n3cccn3)n2c1 185881070 LPXPKADGIJRLKJ-UHFFFAOYSA-N 304.357 2.836 0 40 DFAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1Cl 72228224 LNDXGXJATIIVBO-HUUCEWRRSA-N 304.752 2.890 0 40 DFAB COC(C)(C)C[C@H](C)NC(=O)N1CCC([C@H]2CCCO2)CC1 187576909 KLCLZXRNULJBOK-DZGCQCFKSA-N 312.454 2.791 0 40 DFAB O=C(Cc1ccc(-c2nc3ccccc3o2)cc1)N1CCOCC1 41127122 ISSPHLMPKZYJNM-UHFFFAOYSA-N 322.364 2.896 0 40 DFAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCCO2 49544048 HIICNHZJOZEQHJ-CQSZACIVSA-N 317.370 2.616 0 40 DFAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 48959535 YFLJAMKJAHVZFS-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB O=C(CCn1ccnn1)N1CC2(CCCC2)[C@H]1c1ccccc1 568480084 IAYQHSVRIMPVBL-QGZVFWFLSA-N 310.401 2.812 0 40 DFAB Cc1ccc(Oc2cccc(NC(=O)c3cnccn3)c2)nn1 49025877 VRSRKNHIIZEVIN-UHFFFAOYSA-N 307.313 2.620 0 40 DFAB CN(CCn1cccn1)C(=O)c1ccc2ccc(Cl)cc2n1 84109695 ABAZHYYIRWUBHN-UHFFFAOYSA-N 314.776 2.857 0 40 DFAB CN(CCc1ccncc1)Cc1cn(C)nc1-c1ccncc1 195562037 RYHMXFOPNLICOR-UHFFFAOYSA-N 307.401 2.552 0 40 DFAB CC1(C)C[C@@]2(NC(=O)N(CCc3cccs3)C2=O)C(C)(C)O1 195572927 RWCPEPNFZBERIL-INIZCTEOSA-N 322.430 2.559 0 40 DFAB CNC(=O)c1cccc(CSCc2noc(C3CC3)n2)c1 96448026 WKUHCYDIOWWHHG-UHFFFAOYSA-N 303.387 2.740 0 40 DFAB CCc1cc(N[C@@H](C)[C@@H](CO)SC)nc(-c2ccncc2)n1 96417324 NOUNULQQCVKHKM-SMDDNHRTSA-N 318.446 2.625 0 40 DFAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccc(OC(F)F)cc1 96433743 AFTKLEBDYFPOQQ-SKDRFNHKSA-N 300.305 2.571 0 40 DFAB CC(C)(C)c1ccc(C(=S)NCCN2CCOCC2)cc1 147743145 DMTLPDAIFBPVMC-UHFFFAOYSA-N 306.475 2.581 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 96039331 YRXNVQADONDFKO-IAGOWNOFSA-N 308.422 2.699 0 40 DFAB C1CC(N2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)C1 96206209 QGBFHFKMKDGOIG-MSOLQXFVSA-N 309.450 2.606 0 40 DFAB O=C(C1=CCCC1)N1CC[C@H]2C[C@H](c3nccs3)O[C@@H]2C1 96046055 YIAKYUQZVDROPO-BFHYXJOUSA-N 304.415 2.932 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(CCN3CCCCC3)C2)c1 97227449 JTIDUPVGGLEDCL-INIZCTEOSA-N 318.461 2.979 0 40 DFAB Cc1nccc([C@@H]2C[C@H]3CN(Cc4csc(C)n4)C[C@H]3O2)n1 96070485 ISNFUTZCZNFNLF-VBNZEHGJSA-N 316.430 2.512 0 40 DFAB c1cc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)ccn1 96056418 ZTUNQYXJFVUPOA-KZNAEPCWSA-N 302.418 2.630 0 40 DFAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cc(F)ccc2C1 90635971 QTPFJKVDNRZFMD-MRXNPFEDSA-N 309.337 2.663 0 40 DFAB CCNC(=O)c1ccc(OC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 96407263 BSKAWTMBTZBVNG-CYBMUJFWSA-N 316.184 2.926 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 96432065 GMAGYYYNBSJTRC-CQSZACIVSA-N 323.400 2.888 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@H]12 96058421 HFHZFOCWFVKYHD-PMACEKPBSA-N 307.441 2.929 0 40 DFAB CCOC(=O)[C@@H]1CC[C@@]2(C[C@H]1C)NC(=O)c1ccccc1N2 245338948 PMZOJTXMWUDVDU-QFSBIZTOSA-N 302.374 2.538 0 40 DFAB CCN(c1cccc(N(C)C)c1)S(=O)(=O)c1ccccc1 255190533 XVYPWLPZMWAFJP-UHFFFAOYSA-N 304.415 2.968 0 40 DFAB Cc1cccnc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1 257301429 RYKFSHIXPYUZAY-UHFFFAOYSA-N 320.396 2.591 0 40 DFAB CC(C)C(=O)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257276399 NTNSTVCCKXQBDQ-MRXNPFEDSA-N 302.418 2.587 0 40 DFAB FC(F)(F)c1ccc(C[C@@H]2COC3(CCNCC3)C2)nc1 257262298 LKWLYNVKIWBRJK-NSHDSACASA-N 300.324 2.802 0 40 DFAB Cc1cccc2ncnc(NC3CCN(c4nccn4C)CC3)c12 253433138 SPAVCWWBEVNSDF-UHFFFAOYSA-N 322.416 2.753 0 40 DFAB CC[C@@H](C)N1C[C@]2(CCCN(Cc3cnc(C)s3)C2)C1=O 585099514 PKQXHZJIFBAULM-MLGOLLRUSA-N 307.463 2.674 0 40 DFAB CCOC(=O)CCN(C(=O)Nc1ccc(F)cc1F)C1CC1 58017456 JSPMIACKKNMLRR-UHFFFAOYSA-N 312.316 2.914 0 40 DFAB CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2O)CCO1 69657910 DCSPTTJGZZNAMU-MRVPVSSYSA-N 304.173 2.950 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)cn1 69708846 AMUUVAKMSUJMTC-SFHVURJKSA-N 309.413 2.815 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 36698014 CBQVVZVEZCEUQK-LLVKDONJSA-N 320.348 2.504 0 40 DFAB CNC(=O)CCN(C)Cc1cc(Br)ccc1Cl 79035142 JVBRJLVIJVZEHK-UHFFFAOYSA-N 319.630 2.670 0 40 DFAB O=C(CCNC(=O)OCc1ccccc1)NC1CCCCC1 4974146 QXFUAIYPIXXUSI-UHFFFAOYSA-N 304.390 2.752 0 40 DFAB COc1cccc(/C=C2/N=C(c3ccccc3C)NC2=O)c1OC 5001052 INYJQUXHCHWYJV-RVDMUPIBSA-N 322.364 2.930 0 40 DFAB C[C@H]1C[C@@H](Cc2ccccc2C[C@H]2C[C@@H](C)OC2=O)C(=O)O1 5051685 SOAJBEJMQHFQQP-HMEQZMJYSA-N 302.370 2.675 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1F 158968451 FWKDHNBAVXZVHS-UHFFFAOYSA-N 320.389 2.779 0 40 DFAB COc1cccc(CCNc2cc(-n3ccnc3C)ncn2)c1 1888913085 BNXYFBSSFXGJQY-UHFFFAOYSA-N 309.373 2.634 0 40 DFAB CNc1nc([C@@H]2CCCN(c3ccncn3)C2)cn2cccc12 1848355254 BUKIDVBQYXBSGL-CYBMUJFWSA-N 308.389 2.550 0 40 DFAB c1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)cn2)cc1 24321119 FECPAPNSUOYZCT-UHFFFAOYSA-N 321.380 2.950 0 40 DFAB O=C(Cc1ccsc1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 240002257 PQEULXQJZIWQJC-HDJSIYSDSA-N 317.414 2.587 0 40 DFAB O=C(C1CCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912039 DMUMZXWNVUWZRC-GOSISDBHSA-N 321.392 2.748 0 40 DFAB O=C(NCc1nccnc1-c1ccco1)OCc1ccccn1 575617904 AXKXPIWWADQJCC-UHFFFAOYSA-N 310.313 2.558 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 31368381 VKUKKKGHVLLXRE-UHFFFAOYSA-N 322.368 2.794 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc2ccccn12 40562812 ZVMLVTNKJHEFHJ-HNNXBMFYSA-N 312.348 2.996 0 40 DFAB O=C1CCCCN1CC1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 101412510 VGEBBSQNUPCMBF-HZPDHXFCSA-N 318.461 2.674 0 40 DFAB NC(=O)NCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1 32819902 QCUGFCZDHNXSHO-UHFFFAOYSA-N 317.311 2.873 0 40 DFAB Cc1ccccc1C(=O)NCc1ccccc1Cn1cncn1 32818642 DJPGLRVLDLWGIF-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB C[C@@H](NC(=O)c1ccc(C(=O)O)cc1C(=O)O)c1ccccc1 6183607 ROKMUVJXVVSMRO-SNVBAGLBSA-N 313.309 2.574 0 40 DFAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C 2619640 GHBQCYVTZLPYJS-UHFFFAOYSA-N 301.371 2.908 0 40 DFAB COc1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 100260997 VNWBDVTYPWIZNC-IRXDYDNUSA-N 303.358 2.756 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@@H](C2)N1C[C@@H]1C[C@H]2C=C[C@H]1C2 100214541 MPTBYHLTKHXSJM-UVPYHEFZSA-N 311.429 2.634 0 40 DFAB C[C@H]1CN(c2ncnc3c2[nH]c2ccc(F)cc23)C[C@H](C)O1 523417 SNWFBPFCWSHFQE-UWVGGRQHSA-N 300.337 2.864 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 520769 NSSOCSRIQXYOLT-CYBMUJFWSA-N 306.412 2.859 0 40 DFAB CCc1nc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccccc1 100753313 CKLKFKAHDSYJNE-HOCLYGCPSA-N 319.412 2.949 0 40 DFAB O=S(=O)(Nc1ccc(-c2ccccc2)cn1)c1cccnc1 69676129 LRLWIKDKRZOOBP-UHFFFAOYSA-N 311.366 2.944 0 40 DFAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 100307816 NGDKSUMWAZNTCW-UBDQQSCGSA-N 317.344 2.646 0 40 DFAB Cc1nc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc2n1C 69738009 JEGFVCXRLULFSJ-OAHLLOKOSA-N 323.400 2.556 0 40 DFAB C[C@]1(C(=O)NC[C@H]2COc3ccccc3O2)CC1(Cl)Cl 22689620 QARLIANRCVQXNI-TVQRCGJNSA-N 316.184 2.527 0 40 DFAB C[C@H](Nc1cnc2ccccc2n1)c1ccc2[nH]c(=O)[nH]c2c1 54060338 UUDVNSHCIKZUOZ-JTQLQIEISA-N 305.341 2.973 0 40 DFAB Cc1ccn(CC(=O)c2ccc(Br)cc2)c(=N)c1 106598245 ZVGDVLYNNVAKTI-UHFFFAOYSA-N 305.175 2.921 0 40 DFAB O=C(NCCC1CCCC1)c1ccc2c(=O)[nH]c(S)nc2c1 47078863 QMRFZTYOWOVPKL-UHFFFAOYSA-N 317.414 2.522 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)CCS1 89802118 KSHWLVQEILWJMH-OAHLLOKOSA-N 316.426 2.742 0 40 DFAB CC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)nc1 47524656 ZQFLNHKPQVWNIM-HNNXBMFYSA-N 318.421 2.715 0 40 DFAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCOCC1 22245967 AJDKOMPYLLTFOP-UHFFFAOYSA-N 321.377 2.807 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@H]([C@H](C)O)C1 108468705 GKLDWNWKXCMQCL-BHYGNILZSA-N 304.434 2.728 0 40 DFAB CSc1ccc([C@@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 27160616 FCHAVSGGQVDWTO-ABAIWWIYSA-N 308.447 2.746 0 40 DFAB C[C@@H]1CN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C[C@@H](C)O1 27339463 HTKOXGPVISJNBN-CHWSQXEVSA-N 318.417 2.921 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 58225093 BGMMQVHBFKULOX-JTQLQIEISA-N 313.323 2.595 0 40 DFAB COC(=O)c1sc(NS(=O)(=O)c2cccs2)cc1C 7727158 BKHMEGRXCQUCTI-UHFFFAOYSA-N 317.413 2.705 0 40 DFAB CCOC(=O)c1cc2cc(NC(=O)N[C@H](C)CO)ccc2s1 58357646 RVECSMIKFYPGBU-SECBINFHSA-N 322.386 2.580 0 40 DFAB COCCOCCCC(=O)N[C@H](C)CCc1ccc(OC)cc1 58341703 KGDOGDPTJWQLRQ-OAHLLOKOSA-N 323.433 2.576 0 40 DFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cccnc1 28200646 NEABEOBLNKJXRQ-UHFFFAOYSA-N 314.433 2.800 0 40 DFAB O=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 10752316 ZHYWUWVNLBKYQE-HNNXBMFYSA-N 309.337 2.931 0 40 DFAB COC(=O)CCN(C(=O)c1cccc(F)c1)c1cccc(C)n1 76017298 VLACTTAUKQDSSM-UHFFFAOYSA-N 316.332 2.739 0 40 DFAB C[C@H](NC(=O)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 10967729 AMPCHPDRKSGQCX-LBPRGKRZSA-N 309.431 2.848 0 40 DFAB COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(C)o2)oc1C 48062425 BIUZTNGEYXEGTP-JTQLQIEISA-N 320.345 2.836 0 40 DFAB CCOCCNC(=O)Nc1cccc(COCCOC(C)C)c1 68558044 FWIBSFXMYNKDPQ-UHFFFAOYSA-N 324.421 2.786 0 40 DFAB Cc1ccc(F)c(NC(=O)CCNC(=O)Cc2ccccc2)c1 12765678 QIFBNJSUZVRHPS-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB Cc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccco1 12766538 VHSOCONUKBPXDU-UHFFFAOYSA-N 304.321 2.876 0 40 DFAB Cn1nnnc1NCc1cccc(OCc2ccc(F)cc2)c1 22112107 ILSDGRRUESNHST-UHFFFAOYSA-N 313.336 2.540 0 40 DFAB Cc1n[nH]c2ncc(CNC[C@H](O)c3ccc(Cl)cc3)cc12 48345910 KLMYJKRNRRSIFB-HNNXBMFYSA-N 316.792 2.743 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)O[C@@H](C)c1cccnc1 76090408 FVUGHYZFGVERTH-ZDUSSCGKSA-N 308.341 2.889 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 76041095 ORYWZOBBINBCJN-WBVHZDCISA-N 300.402 2.727 0 40 DFAB CN(Cc1nn(-c2ccccc2)c2c1CCC2)C[C@H]1CCCO1 76296556 KDPUKSJVEIRVFP-MRXNPFEDSA-N 311.429 2.972 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)Cc1cccs1 6121472 SLZMMKYJROOSFZ-UHFFFAOYSA-N 319.382 2.871 0 40 DFAB CCc1nnc(NC(=O)c2cc3ccccc3c(OC)n2)s1 65528867 FWFDEFHYXQUYPY-UHFFFAOYSA-N 314.370 2.910 0 40 DFAB C[C@H]1CN(CC2CCN(c3ncccc3F)CC2)C[C@@H](C)O1 91478076 APFXZWHWKTZNMT-OKILXGFUSA-N 307.413 2.546 0 40 DFAB Cc1ccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 65932820 KPAZUPLXOKZDKM-GFCCVEGCSA-N 308.403 2.810 0 40 DFAB Cc1ccc2cccc(NC(=O)C(=O)c3c(C)nn(C)c3C)c2n1 66462523 IYLDDCLKRWYJKV-UHFFFAOYSA-N 322.368 2.715 0 40 DFAB CS(=O)(=O)CCN1CCC[C@@H]1c1ccccc1C(F)(F)F 69438361 KBLNEUBZPJCWIN-CYBMUJFWSA-N 321.364 2.887 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1cc(F)ccc1F)c1ccccc1 67198459 HNWOVXRQOAJWJG-LLVKDONJSA-N 319.307 2.999 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1ccc(F)cc1 7101297 JHZPXLBISZLADH-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1csc(-c2ncccn2)n1 67516066 QNARYSJEVGKICO-CHWSQXEVSA-N 322.393 2.886 0 40 DFAB CCCNC(=O)[C@@H](C)Sc1nncn1-c1cccc(Cl)c1 7319270 MAEUQYMEYVFRBN-SNVBAGLBSA-N 324.837 2.928 0 40 DFAB C[C@@H]1SCCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)[C@@H]1C 78135733 SEYGWPVQIFURQL-ZJUUUORDSA-N 320.389 2.633 0 40 DFAB CC(C)(C)n1cc(CN2CCN(c3ccccc3O)CC2)cn1 97032524 TUJFJJZJQROOGO-UHFFFAOYSA-N 314.433 2.666 0 40 DFAB CC(C)(C)c1ccc(C2(C(=O)N3CC[C@H](N)C3)CCC2)cc1 97020016 MPMVLIZIEQADJH-INIZCTEOSA-N 300.446 2.965 0 40 DFAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)NC(C)C)cc1 29318389 JZPDZYKMMIFLAG-HNNXBMFYSA-N 322.405 2.786 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)COc2ccccc2C)C12CCC2 72295474 FIVFXGOULJDQBT-JKSUJKDBSA-N 303.402 2.838 0 40 DFAB CC(C)c1nc(CC(=O)NC2(C(=O)O)CCCCC2)cs1 72272885 RFSWHHUAZLSKKF-UHFFFAOYSA-N 310.419 2.713 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](n2ccnc2CC)C1 71870690 IXJSNDZOLSGJTE-CYBMUJFWSA-N 316.405 2.782 0 40 DFAB c1cnnc(N2CCC[C@H]2CNc2ncnc3ccsc23)c1 71859473 DZZLFHDPIMCCDY-NSHDSACASA-N 312.402 2.562 0 40 DFAB Cc1cccc2c(C3=CCN(C(=O)CCC(=O)O)CC3)c[nH]c12 96556104 OZQLVEIWTYEWIB-UHFFFAOYSA-N 312.369 2.957 0 40 DFAB CC(C)(C)c1ccc2c(c1)CCN2S(=O)(=O)C[C@@H]1CCOC1 71910756 KRBGHLGDDPFOKZ-CYBMUJFWSA-N 323.458 2.713 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(N(C)C)nc2)o1 97159392 BMIJSYJWGLOLET-UHFFFAOYSA-N 311.389 2.729 0 40 DFAB Cc1c([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cnn1C 72404584 ZCQRKYQZLYLMOQ-GFCCVEGCSA-N 311.345 2.690 0 40 DFAB Cn1c(C(=O)NC(C)(C)C(C)(C)C(=O)O)cc(Cl)c1Cl 87622836 UFRCYQUSFYCWNX-UHFFFAOYSA-N 321.204 2.951 0 40 DFAB NC(=O)c1ccnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 95407753 VQRJAAQXYXVDCN-CYBMUJFWSA-N 322.368 2.706 0 40 DFAB CSc1nsc(NC(=O)c2ccc(-n3ccnc3)cc2)n1 79055576 FCXRWEFTJFUQTR-UHFFFAOYSA-N 317.399 2.698 0 40 DFAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ncccc1O 95942149 FDZXHOLLNSNEIO-UHFFFAOYSA-N 305.721 2.651 0 40 DFAB C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)n1cccc1 95992389 KHNSRXOUGUZERL-OAHLLOKOSA-N 313.401 2.520 0 40 DFAB Cc1cncc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)c1 95980981 WCYGPXGDMKXCSU-GFCCVEGCSA-N 300.333 2.920 0 40 DFAB CCn1c(C)cc(C(=O)Nc2cncc(C(=O)OC)c2)c1C 95982810 JBYMEURWZDTQHC-UHFFFAOYSA-N 301.346 2.559 0 40 DFAB C[C@@H](CNC(=O)N(C)Cc1ccncc1)Oc1ccccc1F 74795218 UJHNSXPBFGWTNE-ZDUSSCGKSA-N 317.364 2.830 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 75180320 JUXNENIWFDQNII-UHFFFAOYSA-N 301.346 2.570 0 40 DFAB O=C(Cc1ccon1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89762894 UEBJXKJTXBVHAJ-CQSZACIVSA-N 306.749 2.550 0 40 DFAB Cc1ccc(C(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)o1 409057785 WJZJSHDHACYBHE-GFCCVEGCSA-N 304.268 2.697 0 40 DFAB Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H]3CC=CCC3)c2n1 67557051 UPUANQFKDYXBEQ-CQSZACIVSA-N 323.396 2.954 0 40 DFAB Cc1ccc2c(CC(=O)N(C)C3CCN(C)CC3)coc2c1 39893049 GRULUZQJMMHEFP-UHFFFAOYSA-N 300.402 2.836 0 40 DFAB COc1ccccc1CNC(=O)CSc1ccc(O)cc1 38078733 JVNILBGILYYEDT-UHFFFAOYSA-N 303.383 2.809 0 40 DFAB c1ccc(CNc2nc(N3CCCC3)nc3nccnc23)cc1 31820304 UXIPVKOZRDOBGD-UHFFFAOYSA-N 306.373 2.632 0 40 DFAB COc1cc(C)ccc1NC(=O)C(=O)NCCC1=CCCCC1 77681436 VGVPLPJOTLZKDC-UHFFFAOYSA-N 316.401 2.949 0 40 DFAB CC(C)C[C@@H](C(=O)O)N1CC(Oc2ccccc2Cl)=CC1=O 71863770 QAAYKFPZMGVEHX-ZDUSSCGKSA-N 323.776 2.944 0 40 DFAB COc1ccc(CNC(=O)c2c(C)nc3ccc(C)cn23)cc1 71476704 VIMZVXUHHZBFKY-UHFFFAOYSA-N 309.369 2.890 0 40 DFAB Cc1occc1[S@](=O)CC(=O)N1c2ccccc2C[C@H]1C 189657793 JXOOXSNQUHRDFB-WSVYEEACSA-N 303.383 2.673 0 40 DFAB CC(=O)N1CCN(c2ccccc2)C[C@@H](Cc2ccccn2)C1 72374454 PKLNUNITDMAFAJ-KRWDZBQOSA-N 309.413 2.609 0 40 DFAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 78486084 DNESVPMGVMIROH-SFHVURJKSA-N 315.438 2.876 0 40 DFAB O=C(NCCCn1cccn1)NCCSc1ccccc1F 79098435 KIROSHVGMVQLIA-UHFFFAOYSA-N 322.409 2.504 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)N[C@@H](C)c2ccncc2)n1 72240377 OXAQGACRXTUELJ-ZDUSSCGKSA-N 313.405 2.517 0 40 DFAB CCc1noc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41123609 NLVHWQGRYJXNFE-LLVKDONJSA-N 305.403 2.642 0 40 DFAB CCN(CCc1ccncc1)C(=O)Cn1c(C)nc2ccccc21 41292396 HAYKKQQSTPYSGC-UHFFFAOYSA-N 322.412 2.831 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCc2c([nH]c3ccccc23)C1 89916280 AFDLPDKSNPNENT-UHFFFAOYSA-N 309.369 2.900 0 40 DFAB biogenic CC(C)(C)/C=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 81463138 KQUBDQXZRXMXDS-QPJJXVBHSA-N 320.355 2.506 0 40 DFAB O=C(CC1=CCCCC1)N1CCN(c2cccc(O)c2)CC1 95428332 YMGKWGPNBZQDKZ-UHFFFAOYSA-N 300.402 2.931 0 40 DFAB CN(C)Cc1cccc(NC(=O)c2cccc(-n3cccn3)n2)c1 96413117 BSRQRPIVEDXDDA-UHFFFAOYSA-N 321.384 2.581 0 40 DFAB COc1cc(CCNC(=O)NCc2cnc(C)s2)ccc1C 96421489 DPKDOZQFEOXPGB-UHFFFAOYSA-N 319.430 2.810 0 40 DFAB CC(C)(C)OC(=O)[C@H](c1cccc(Cl)c1)[C@@H](N)CC(=O)O 83263248 YGWRXVQHGYWJKO-WCQYABFASA-N 313.781 2.567 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1C)C2 96039058 ZYNPRFIEDZORTH-AEFFLSMTSA-N 303.402 2.653 0 40 DFAB CC(=O)N1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257345016 ZZOQUPZOOJTUKM-BQFCYCMXSA-N 300.402 2.797 0 40 DFAB Cc1ncsc1-c1ccc(C(=O)NCCc2ccccn2)cn1 257331794 XUHDZWDFHQHGBE-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c(C)c1 256047644 NQVIVHKLWSUESW-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C1CCOCC1 585148219 RRMCRKZCWCBVCQ-INIZCTEOSA-N 315.369 2.523 0 40 DFAB Cc1ncc2c(n1)CCN(Cc1cnn(-c3ccccc3C)c1)C2 585140979 NBCOGPOYWOHYDF-UHFFFAOYSA-N 319.412 2.837 0 40 DFAB Cn1cc([C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cn1 681294101 NHUAZYCIGVEWDA-LBPRGKRZSA-N 305.328 2.718 0 40 DFAB O=C(Cc1cn2ccsc2n1)N[C@H]1C[C@H]1c1cccc(F)c1 67091829 ITUAISHWYVIIPQ-KBPBESRZSA-N 315.373 2.750 0 40 DFAB CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)cn1 69971196 QYXMSNWFESKKPF-HNNXBMFYSA-N 315.421 2.530 0 40 DFAB Fc1ccc(-c2noc(Cn3ccnc3)n2)cc1Br 65224634 UWPAZNGUJCXXHC-UHFFFAOYSA-N 323.125 2.883 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)N1CCC2(CCOCC2)C1 98014429 AHXLVDAQZQYJLO-AWEZNQCLSA-N 320.408 2.969 0 40 DFAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@H]1O 1615075357 FXEVPNIPXUDLSG-UXIGCNINSA-N 323.776 2.744 0 40 DFAB CCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 5953679 XXTOPSKDUYPJOT-UHFFFAOYSA-N 305.399 2.606 0 40 DFAB O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cccnc1 12337402 IOVFNLVXOLDYOY-MRXNPFEDSA-N 324.380 2.884 0 40 DFAB Cc1cccc(NC(=O)NCc2nnnn2C2CCCCC2)c1 10608513 ZRZRKBIFSZCZTP-UHFFFAOYSA-N 314.393 2.808 0 40 DFAB NC(=O)c1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 9868649 LBCZKTBPVAATHR-UHFFFAOYSA-N 322.336 2.795 0 40 DFAB CSc1ccc2nc(N(C)C[C@@H]3COCCO3)sc2c1 1888870171 MLCKCKGQUFECPI-SNVBAGLBSA-N 310.444 2.870 0 40 DFAB C[C@H](NC(=O)c1ccc(O)nn1)c1cccc(C(F)(F)F)c1 23546878 PMYXHPIEVYRBES-QMMMGPOBSA-N 311.263 2.692 0 40 DFAB CC(C)CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NC(C)C)C1 32913019 VHYPMIGYVLSPJE-GJZGRUSLSA-N 311.470 2.757 0 40 DFAB Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1 424245 WMCBFXWZCRRNBB-UHFFFAOYSA-N 324.336 2.549 0 40 DFAB CCn1nc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1C 13703284 GUNDRXCEBMEUNX-UHFFFAOYSA-N 315.308 2.653 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@@H](c1ccco1)n1cccn1 575612901 CZAQUCZPLATTEQ-NNTXTVRGSA-N 313.382 2.957 0 40 DFAB C[C@@](O)(CNC(=O)CCc1ccccc1F)Cc1ccsc1 618256170 DWJIKBWNAUHMQW-KRWDZBQOSA-N 321.417 2.930 0 40 DFAB COc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 30028994 GAOXAFUVHATZNF-GOSISDBHSA-N 310.397 2.824 0 40 DFAB O=C(O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 50290190 CDSZRHPYQZRVSN-UHFFFAOYSA-N 302.157 2.517 0 40 DFAB O=C(NCCCN1CCCCCC1=O)c1cc2ccccc2[nH]1 40489286 TUCNUGQOEFVWQT-UHFFFAOYSA-N 313.401 2.690 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCO[C@@H](c2ccc(F)cc2)C1 29117243 PQFAOMJUIAGVME-MRXNPFEDSA-N 316.332 2.905 0 40 DFAB CC[C@@H](C)NC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 299270 NSYHSFGZJCHJPE-CYBMUJFWSA-N 318.417 2.542 0 40 DFAB COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1OC 245322 PBGCANHQKAGYMP-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 101582795 LJADSSZQGFDLAW-GHMZBOCLSA-N 304.415 2.892 0 40 DFAB CC(C)(C)NNC(=S)Nc1cnn(Cc2ccccc2F)c1 2803011 YDVKUXKWQKYROD-UHFFFAOYSA-N 321.425 2.660 0 40 DFAB Cc1ccc(C)c(OC[C@H](O)CNCCCOC(C)C)c1C 2647026 AYEVFSJTYPWFFU-QGZVFWFLSA-N 309.450 2.756 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1C 32753764 IGCDQEWXKHQPKI-KRWDZBQOSA-N 310.353 2.896 0 40 DFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7596975 HOLRCWSQWDPHON-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB CC(C)c1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 89893317 LSHFOTNEFCNXIQ-LBPRGKRZSA-N 311.451 2.570 0 40 DFAB COc1ccccc1OCCNC(=O)NCCc1ccccc1 32862605 INEZWNLBTOSFDT-UHFFFAOYSA-N 314.385 2.616 0 40 DFAB CSc1cccc(NC(=O)c2cnc(SC)nc2N)c1 57509612 IKWUPCXTHVVQOC-UHFFFAOYSA-N 306.416 2.755 0 40 DFAB c1cncc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107752003 FNQHSACBUWAPRU-OALUTQOASA-N 316.445 2.879 0 40 DFAB COc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1 32901898 WOCWTTOGEDBKAI-UHFFFAOYSA-N 301.346 2.586 0 40 DFAB CC(C)Sc1nnc(-c2ccccc2Br)n1N 8729211 KVJGHDCEDGFPRY-UHFFFAOYSA-N 313.224 2.922 0 40 DFAB Cc1cc(C(F)(F)F)nc(-n2ncc3ccccc3c2=O)n1 2740928 FHBMZFNGRPMTEK-UHFFFAOYSA-N 306.247 2.503 0 40 DFAB CN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 57316815 AAZWQIVHPPEYSW-UHFFFAOYSA-N 321.730 2.593 0 40 DFAB C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1cccc2ccccc12 46889629 PVQWQRZJGKJTRF-SCOAYWHSSA-N 324.424 2.690 0 40 DFAB CC1(C)Cc2c(sc3c2C(=O)N[C@@H](c2cccnc2)N3)CO1 529509 CFBAFCZVFIUQQR-CYBMUJFWSA-N 315.398 2.849 0 40 DFAB COc1ccc(NC(=O)c2ccc3nsnc3c2)c(OC)c1 21595369 FZTNVFBKWUNSOA-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB CCn1nc(C)c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c1C 57355696 KDLPPIUDFYBQOH-CYBMUJFWSA-N 319.405 2.724 0 40 DFAB COc1cc(CCC(=O)N[C@H](C)c2ccncc2)cc(OC)c1 22622077 LTUBXHXZSOQYJD-CYBMUJFWSA-N 314.385 2.909 0 40 DFAB CC(C)C(=O)NCc1ccc(OCCOc2ccccc2)nc1 55567389 DVICFLTYBBVLLT-UHFFFAOYSA-N 314.385 2.812 0 40 DFAB Cn1ccnc1SCC(=O)NCCCSc1ccccc1 12535510 ATBIBVRULSGAOL-UHFFFAOYSA-N 321.471 2.811 0 40 DFAB Cc1cc(C(=O)NCC2(c3ccccc3C)CCOCC2)on1 55760901 VZPUFTBZIWNFAH-UHFFFAOYSA-N 314.385 2.770 0 40 DFAB CCOc1ncccc1C(=O)NC[C@H](c1ccsc1)N(C)C 25330035 QSNVNYOMYMUUFF-CQSZACIVSA-N 319.430 2.575 0 40 DFAB c1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 107751999 OUSDVTDCLSEYJO-MOPGFXCFSA-N 316.445 2.879 0 40 DFAB CCOc1ccc(Cl)c(C(=O)Nc2cccnc2N(C)C)n1 57342734 BJJUFKUBDXQHNF-UHFFFAOYSA-N 320.780 2.847 0 40 DFAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccnc1N1CCCC1 48172451 DWUKCUXIFUHQOS-OKILXGFUSA-N 317.437 2.981 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(N(C)C)c1 3315605 SQSYEFDPTUPUJX-XJKSGUPXSA-N 318.417 2.604 0 40 DFAB COC(=O)CCCNC(=O)c1cc(F)c(Cl)cc1Cl 58210893 IVDHDJXCDWZDRP-UHFFFAOYSA-N 308.136 2.816 0 40 DFAB Cc1c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cnn1C 58281628 YZOOQMIMHAUYMZ-OAHLLOKOSA-N 301.365 2.715 0 40 DFAB Cc1cc(F)ccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58343727 IMQIMRIOWMLJTF-JKSUJKDBSA-N 300.333 2.914 0 40 DFAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 45243529 MUUSOLBIENUXOJ-WCQYABFASA-N 308.809 2.728 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 45689787 DVZWLRBUNDJEIT-IAQYHMDHSA-N 314.393 2.671 0 40 DFAB CCOc1ccc(NC(=O)CN2CCSC2=O)cc1OCC 12878900 MBZGDPPLLNKWAO-UHFFFAOYSA-N 324.402 2.591 0 40 DFAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 3444518 LYSNCXBDLGKDJK-GOSISDBHSA-N 324.424 2.800 0 40 DFAB CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H](C)C2)c1 48505385 RPZSYSWHEDDPGR-SNVBAGLBSA-N 309.797 2.963 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 13170357 CFIVHRMKMITXDU-MRVPVSSYSA-N 302.157 2.930 0 40 DFAB COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(O)c3)C2)c1 5029315 IQOMJUHQLDQEBC-INIZCTEOSA-N 312.325 2.533 0 40 DFAB O=C(NC(C1CC1)C1CC1)N1CCO[C@@H](c2ccccc2)C1 65493250 WCTKGVHVJCAJNP-MRXNPFEDSA-N 300.402 2.958 0 40 DFAB COc1ccc(CCNC(=O)Cc2noc3ccccc23)cc1 14184138 GPQZJBQMDLMQFT-UHFFFAOYSA-N 310.353 2.738 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1 5634166 RFUOHIODTWZRBQ-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1ccco1 6851189 UAIHCGKHAJHXOP-NSHDSACASA-N 322.434 2.811 0 40 DFAB Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 18700541 CUCINTKQNXDOPQ-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB CN(CCNc1ncc(Br)cn1)c1ccccc1 67348254 UPPCFKKPFFERDZ-UHFFFAOYSA-N 307.195 2.787 0 40 DFAB CCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 8855857 PTDWSBQLPXZPTE-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB Cc1cc(N[C@@H]2CCCN(c3ccccc3F)C2=O)ncn1 90149404 SYPWTODMGAVZDP-CYBMUJFWSA-N 300.337 2.532 0 40 DFAB CCOC(=O)[C@H](Nc1cccc(C(=O)NC)c1)c1ccccc1 67472119 WZXMLQRNSBUXTN-MRXNPFEDSA-N 312.369 2.763 0 40 DFAB O=C(COc1ccccc1F)N[C@H]1CCOc2ccccc21 7215683 WJBWQHRTACFVDT-AWEZNQCLSA-N 301.317 2.845 0 40 DFAB CC(=O)N1CCC(N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 90916356 FZHVVTPHRXFPCV-ROUUACIJSA-N 308.466 2.857 0 40 DFAB CC[C@H](C)OCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 96009262 DHHWPSQVQCZYLT-AWEZNQCLSA-N 306.406 2.575 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)NCc1cccc2cccnc12 89969137 LKGARYDUAAPFPJ-MRXNPFEDSA-N 313.401 2.945 0 40 DFAB CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(C)o2)cc1 89943568 DCZMEBHFIIOEPP-OAHLLOKOSA-N 316.401 2.630 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)NC2CCC(O)CC2)c1 71883764 ULXZJEFRTCFMIN-UHFFFAOYSA-N 322.405 2.907 0 40 DFAB COCc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)c1 71882816 UASZXAVZZOMOKS-KRWDZBQOSA-N 310.397 2.842 0 40 DFAB O=C(N1CCC[C@@H](n2cncn2)C1)C12CC3CC(CC(C3)C1)C2 71847078 PNFLQAIVKXODPY-QFQXCOSMSA-N 314.433 2.658 0 40 DFAB COc1ccccc1CCCN1CCC(C2OCCO2)CC1 96500203 SMVXVDVSVGTWCF-UHFFFAOYSA-N 305.418 2.713 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ncccc1Cl 97046968 GAGJDZCEAROQAN-SECBINFHSA-N 306.797 2.903 0 40 DFAB C[C@@H](CS(C)(=O)=O)Nc1ccc(F)cc1OC1CCCC1 97038430 FPEKIENEEYGPEV-NSHDSACASA-N 315.410 2.992 0 40 DFAB O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)[C@@H]1COCCO1 72274872 JSWFBEKHLXJBGY-HOTGVXAUSA-N 323.364 2.801 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cncn3)C2)s1 72235058 AXBAWZBDZCYPQR-BFHYXJOUSA-N 316.430 2.615 0 40 DFAB O=C(NC1CCOCC1)c1ccc(NC(=O)C2CC=CC2)cc1 84388024 JSPWUAWRVQQGDM-UHFFFAOYSA-N 314.385 2.500 0 40 DFAB CC(C)Cn1cc(NC(=O)NC[C@H]2CCO[C@H]2C(C)C)cn1 78630314 PCUQWPMAFXADAW-HIFRSBDPSA-N 308.426 2.722 0 40 DFAB Cn1cnnc1-c1cccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 95381734 ZCVWIXDQWXDALR-KGLIPLIRSA-N 308.341 2.817 0 40 DFAB Cc1n[nH]c(SCC(=O)NCc2csc3ccccc23)n1 72969409 JWYWNQKGVDSTBB-UHFFFAOYSA-N 318.427 2.736 0 40 DFAB CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 84740174 RSSQMASGJWZJLB-MRXNPFEDSA-N 318.461 2.961 0 40 DFAB COc1ccc(OC)c(CNCCCC(=O)OC(C)(C)C)c1 95405184 QPDOWJGRNRBXJN-UHFFFAOYSA-N 309.406 2.915 0 40 DFAB CCc1cnc(CNC(=O)NC[C@H]2CCO[C@H]2C(C)C)s1 95408210 VVUZFJZGKSGYNY-RISCZKNCSA-N 311.451 2.566 0 40 DFAB COC(=O)c1sccc1CN(Cc1cnn(C)c1)C(C)C 95410288 WPMYWTCMYUJQGF-UHFFFAOYSA-N 307.419 2.679 0 40 DFAB CS(=O)(=O)c1ccccc1N1CCC[C@@H](c2nccs2)C1 95994722 VJUUQRFIPLTRGB-GFCCVEGCSA-N 322.455 2.931 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCN2CCCCCC2=O)C1(C)C 32309346 SSCDAYPUPRWIBD-ZBFHGGJFSA-N 306.450 2.744 0 40 DFAB Cc1cc(O)c2c(oc3cc(O)c4c(c32)COC4=O)c1C(=O)O 4802493 QZYZPZAPRHESDA-UHFFFAOYSA-N 314.249 2.674 0 40 DFAB biogenic CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccccc2C=O)C1 216158661 YWSZKCINADDRAD-AWEZNQCLSA-N 304.390 2.993 0 40 DFAB CCc1nnc(SCC(=O)c2ccc(OC)cc2)n1CC 216100985 FKHWGGLRIKDVQH-UHFFFAOYSA-N 305.403 2.844 0 40 DFAB CCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 72383802 SAAPXCIJZOCAIO-ZDUSSCGKSA-N 311.389 2.997 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2cccnn2)C1 225451644 NCQURQDLFCZRNC-CQSZACIVSA-N 322.368 2.642 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)no1 44874243 DBUAKTXCTXCCLU-NXEZZACHSA-N 309.316 2.939 0 40 DFAB Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 41195089 ZPQVPPFEOCCVEM-UHFFFAOYSA-N 304.390 2.688 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2cnccn2)C1 225792623 CLGLCNSCSQEQDJ-JTQLQIEISA-N 321.739 2.563 0 40 DFAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)[C@@H](N)c1ccccc1 195555117 RRDJIZKHOSYYLU-HNNXBMFYSA-N 308.303 2.762 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 44110439 YOMFPQXGKOPCJH-WFASDCNBSA-N 319.405 2.972 0 40 DFAB COc1cc(C(=O)NCCc2ccccc2)n(-c2ccccc2)n1 227162325 ZKLMEDXLHHCTEW-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB c1ccc(OCc2n[nH]c3c2CN(Cc2cccs2)C3)nc1 96260222 WHIUXWZRNVAXQF-UHFFFAOYSA-N 312.398 2.961 0 40 DFAB CC[C@@H]1C[C@H](C(=O)N(C)c2cccnc2N2CCCC2)CCO1 97235980 VGENRHHYZSPZEC-HUUCEWRRSA-N 317.433 2.850 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@H](c1cnn(C)c1)N(C)C 96477907 LTANNJCWTFQUNI-RHSMWYFYSA-N 316.449 2.691 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)NC3CCCC3)CC(=O)N2C)cc1 96181307 LHIVGNLJDPTVFL-DOTOQJQBSA-N 300.402 2.573 0 40 DFAB CCCCc1nnc(SC[C@H]2OCCc3ccccc32)n1N 96430261 ALSWZFQWDBQMSO-CQSZACIVSA-N 318.446 2.741 0 40 DFAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1ccccc1 96405455 LSACDJJPIKPZDM-KGLIPLIRSA-N 322.368 2.527 0 40 DFAB Nc1ccccc1/C=C/C(=O)N1CCN(c2ccccc2)CC1 256050642 FYDGQIPGJBGWPZ-ZHACJKMWSA-N 307.397 2.631 0 40 DFAB Cc1nnc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)o1 624302336 JBUOIBVYAQNWPP-SECBINFHSA-N 313.283 2.571 0 40 DFAB CCOc1ccc(NS(=O)(=O)CCCC(F)(F)F)cn1 252481433 CLXLVIGQXBPIMP-UHFFFAOYSA-N 312.313 2.565 0 40 DFAB Cc1c[nH]c([C@H]2CN(CCCOc3ccccc3F)CCO2)n1 257226889 FMPRRSPHWKUWSF-MRXNPFEDSA-N 319.380 2.700 0 40 DFAB O=C(NCc1cn(-c2ccsc2)nn1)c1cc2ccccc2[nH]1 575619592 WYSMJFOIBVJRHW-UHFFFAOYSA-N 323.381 2.740 0 40 DFAB O=C(O)c1cnc(/C=C/c2ccnn2C2CCOCC2)s1 685939114 VJGRVQJTBTXJPT-OWOJBTEDSA-N 305.359 2.560 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)CCOCC(C)C)c1 69452872 YLYXHPBSDCWBEA-UHFFFAOYSA-N 306.450 2.817 0 40 DFAB O=C(CCc1cccnc1)Nc1cccc(N2CCCNC2=O)c1 72303014 HMCZQYBLMYDEFK-UHFFFAOYSA-N 324.384 2.573 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)COC4)C2)n[nH]1 76059993 VFODZTQGYXDEDC-AWEZNQCLSA-N 311.385 2.768 0 40 DFAB CCc1nc(COC(=O)c2cnc3[nH]c(C)nc3c2)cs1 97108901 QZFQXXSBBBFQFH-UHFFFAOYSA-N 302.359 2.642 0 40 DFAB Cc1cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)ncn1 641685110 BEVFRQCMDGMZNT-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB CCOC(=O)[C@H](C)N1N=C(/C=C/c2ccc(C)cc2)CCC1=O 1387440 YFIMQHNRIVWKBG-HBWSCVEGSA-N 314.385 2.938 0 40 DFAB COC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)s1 15193419 ARCXGGSZGXPMHH-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1sccc1C 19238607 HJAMOHFRNHDMRM-QWHCGFSZSA-N 315.442 2.580 0 40 DFAB COc1cccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 24518604 HGORZDJZQXUYSD-GOSISDBHSA-N 310.397 2.805 0 40 DFAB CCN(CC)C(=O)c1ccccc1SCC(=O)NC1CC1 32901434 BIOINVBJWXTJMC-UHFFFAOYSA-N 306.431 2.539 0 40 DFAB O=C1CCCN1CC(=O)N(Cc1ccccc1)Cc1ccccc1 57985774 YTEWHLZJOUEQAK-UHFFFAOYSA-N 322.408 2.838 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@H](N(C)C(=O)C(C)(C)C)C1 2087127703 BLVQRBYTXMIVRY-CQSZACIVSA-N 307.438 2.760 0 40 DFAB Cc1ccc(C)c(C(=O)N2CCCN([C@H]3CCSC3)CC2)c1 1565522522 SDOBBNINYLMWPT-INIZCTEOSA-N 318.486 2.957 0 40 DFAB CN1CCCC[C@H]1C1CCN(C(=O)C2CC(F)(F)C2)CC1 1565545787 OVDZHEPSTJEPHZ-AWEZNQCLSA-N 300.393 2.755 0 40 DFAB Cc1noc(C)c1CC(=O)N1CC[C@H](n2cnc3ccccc32)C1 575618154 SNBCCRCQWGBMPQ-AWEZNQCLSA-N 324.384 2.657 0 40 DFAB Cc1cc(C)c2ccc(N3CCC(NC(=O)C4CC4)CC3)nc2n1 2298188629 XIRBXCFYGDBKAM-UHFFFAOYSA-N 324.428 2.742 0 40 DFAB CC(=O)Nc1nc(C(=O)N(Cc2ccccc2)C2CC2)cs1 30844691 HIPFQUHZAIDFHM-UHFFFAOYSA-N 315.398 2.906 0 40 DFAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1O 40489096 JNNGENRMDJYOCG-UHFFFAOYSA-N 307.353 2.567 0 40 DFAB COCCCNC(=O)Nc1ccc(C)cc1Br 40526238 FGXFHVMLIDOBCZ-UHFFFAOYSA-N 301.184 2.916 0 40 DFAB O=C(NCc1ccccc1)Nc1cccc(N2CCNC2=O)c1 40540479 YFNADJRYWKLSNH-UHFFFAOYSA-N 310.357 2.538 0 40 DFAB CC(=O)N1CCc2cc(C(=O)NCc3ccc(C)s3)ccc21 40541708 NJGIWLAFJKDNQL-UHFFFAOYSA-N 314.410 2.896 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O 51188057 VKCUDKAMNZSXOJ-GOEBONIOSA-N 319.836 2.945 0 40 DFAB COC(=O)CSc1ccc2c(N)c(C(=O)OC)sc2c1 141274 HRBLJSMGUKRBPH-UHFFFAOYSA-N 311.384 2.535 0 40 DFAB CCOC(=O)c1c(NC(=O)COC)sc2c1CC[C@H](C)C2 148257 UXCLCBYUZLEPPF-VIFPVBQESA-N 311.403 2.635 0 40 DFAB CC[C@@H](C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 212679 GJUCOUNIDHEXQJ-MRVPVSSYSA-N 304.268 2.772 0 40 DFAB CSCc1nnc(SCc2cnn(-c3ccccc3)n2)o1 83992799 LRXVHRXIJQNPNX-UHFFFAOYSA-N 319.415 2.806 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1OC 249294 CJLDYWNUVWYGID-LBPRGKRZSA-N 321.398 2.743 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCc1cc(Br)ccc1F 68514325 UFGGSXSLUTZHRJ-KCJUWKMLSA-N 300.171 2.903 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 29535525 DQWJHNYXIHXGIF-MOPGFXCFSA-N 324.424 2.889 0 40 DFAB CN(C)C1CCN(C(C)(C)CNC[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101543089 PILJDHBKTVTZCV-YESZJQIVSA-N 305.510 2.593 0 40 DFAB O=C(NCCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 3150697 YJRDJFJFNMSYRG-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB CN(C)c1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 29787530 UYLQYBUUELGBJY-UHFFFAOYSA-N 303.450 2.792 0 40 DFAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)c(C)c1 316484 INROGVTULXBCID-IBGZPJMESA-N 309.365 2.740 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)c(C)c1 7928049 YXGLIRSSAPWXMS-CQSZACIVSA-N 312.369 2.566 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C)C2)c(OC)c1OC 10541080 PNOXCJQGFKHLJO-AORWBKJGSA-N 319.401 2.984 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)C/C=C/c1ccccc1 21645693 SGEWZNYQTUXEGX-JXMROGBWSA-N 306.387 2.625 0 40 DFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)no1 426283 MRSVYHUFRSPELD-ZETCQYMHSA-N 319.386 2.521 0 40 DFAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)Nc2ccccc21 408316 CLQDQNKSWUZURA-BTDLBPIBSA-N 315.756 2.999 0 40 DFAB C[C@@]12C[C@@](C)(CC1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 102998349 MDBKRUGEHSLJED-NSNWQYSKSA-N 317.772 2.835 0 40 DFAB Nc1cc(F)ccc1C(=O)OCc1cnn(-c2ccccc2)c1 22133050 JGBMPDQRGGXCMZ-UHFFFAOYSA-N 311.316 2.951 0 40 DFAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1cccs1 104006944 UHOBXYOQZLIKST-MELADBBJSA-N 321.442 2.776 0 40 DFAB COC1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 47527719 MAMHECDFMCWPKD-UHFFFAOYSA-N 304.321 2.732 0 40 DFAB CCC[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 54673276 FCTBFPVCRIUMSX-INIZCTEOSA-N 321.384 2.934 0 40 DFAB c1csc(-c2nnc(CN3CCS[C@H]4COCC[C@H]43)o2)c1 110689621 LPTYMXIFHSQBMB-PWSUYJOCSA-N 323.443 2.504 0 40 DFAB O=C(NCCc1ccccn1)Nc1ccc2oc(=O)ccc2c1 65752404 FRRQOKMFOLRODZ-UHFFFAOYSA-N 309.325 2.552 0 40 DFAB COc1ccc(CN(C(=O)/C=C/c2cnn(C)c2)C2CC2)cc1 26385310 RACSDHJNJZVMCG-BJMVGYQFSA-N 311.385 2.633 0 40 DFAB CN(C(=O)CCNC(=O)c1ccoc1)C1CCCCCCC1 58156523 XAACFBYWFHOHHW-UHFFFAOYSA-N 306.406 2.971 0 40 DFAB O=C(N[C@@H]1CCN(C2CC2)C1)c1csc(-c2ccccc2)n1 58175489 TYCPKAKKECLQQX-CYBMUJFWSA-N 313.426 2.777 0 40 DFAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1 10287482 FZUULEXZQQXWHW-LLVKDONJSA-N 324.306 2.682 0 40 DFAB COc1ccc(CNC(=O)N(Cc2ccco2)C2CC2)cn1 44967512 CRVVIHVJZYMEKO-UHFFFAOYSA-N 301.346 2.557 0 40 DFAB Cc1nonc1CC(=O)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412788 DTYXZRBYKUMVLK-MJSCVDMRSA-N 311.385 2.619 0 40 DFAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1 3400326 LCAPRPDXWPVATB-UHFFFAOYSA-N 316.332 2.687 0 40 DFAB CSc1nnc(SCC(=O)N2CCc3ccccc32)s1 3436628 XPCZPXAMMNUBRB-UHFFFAOYSA-N 323.468 2.941 0 40 DFAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2scnc2Cl)C1 48914441 WOJLAONJFGVIDB-UWVGGRQHSA-N 301.843 2.504 0 40 DFAB CSc1ccccc1NC(=O)NCC(=O)NC1CCCCC1 69370310 QOFWKWRZJXCHPQ-UHFFFAOYSA-N 321.446 2.979 0 40 DFAB COC(=O)Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 69918087 PVMJCUQXQVZDHV-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB Cn1cc(CNCCn2cccn2)c(-c2cc3ccccc3o2)n1 69969746 XXIVYHXMORHNDA-UHFFFAOYSA-N 321.384 2.820 0 40 DFAB CCO[C@@H](C)C(=O)NCCc1ccccc1Br 69416079 WCGMYSHUZHMLHI-JTQLQIEISA-N 300.196 2.533 0 40 DFAB CN(Cc1cscn1)C(=O)c1ccc2c(c1)OCCCO2 65495022 TYELSJOTUCZXOY-UHFFFAOYSA-N 304.371 2.577 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCC(c2cnn(C)c2)CC1 65513563 KGFPVYHWMJWYRO-NSHDSACASA-N 301.394 2.621 0 40 DFAB Cc1cnc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cn1 14185921 DXTZHOCGXBPOJB-LBPRGKRZSA-N 303.362 2.891 0 40 DFAB Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2cc(O)ccc12 4540654 RABCYPOZWCLOSA-UHFFFAOYSA-N 323.348 2.666 0 40 DFAB C[C@H](C(=O)NC1CCCC1)N(C)CCOc1ccccc1F 21672642 FOZPMXFKURCDTF-CYBMUJFWSA-N 308.397 2.584 0 40 DFAB COc1ccc(OC)c(CNCC[S@@](=O)c2ccccc2)c1 69653383 PGHLUPVAUDZHNS-QFIPXVFZSA-N 319.426 2.601 0 40 DFAB CC(C)c1ccc([C@@H](CNC(=N)N)NC(=O)OC(C)(C)C)cc1 69656132 OCWDAGJIPCDWJL-CQSZACIVSA-N 320.437 2.859 0 40 DFAB Cc1cccc(Nc2nc(C(=O)NC(C)(C)CO)cs2)c1 4688469 XGPOSMPPRKCHLC-UHFFFAOYSA-N 305.403 2.696 0 40 DFAB CCCCCCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 5560127 KORRCSGEMQGCHD-UHFFFAOYSA-N 319.357 2.714 0 40 DFAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccn3)cc2c1 8772758 UXVPLNYGKBQROQ-UHFFFAOYSA-N 307.353 2.504 0 40 DFAB C[C@@H]1CCN(C(=O)CSc2ncn[nH]2)c2ccccc2S1 5736738 SBLKKHWSROVNSZ-SNVBAGLBSA-N 320.443 2.814 0 40 DFAB Cc1cnn(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 66662294 CAJNYLCNQMOVIJ-UHFFFAOYSA-N 321.384 2.893 0 40 DFAB CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 5996237 LOGNMOZUVKNQDB-UHFFFAOYSA-N 303.671 2.904 0 40 DFAB NC(=O)c1cc2ccc(O)cc2o/c1=N\c1cc(F)cc(F)c1 67298349 IAKWCUKFAJTNQR-SILNSSARSA-N 316.263 2.748 0 40 DFAB Cc1ncc([C@H](C)NCCOc2ccc3c(c2)OCO3)s1 90404192 YGTSGBASNMCQHR-JTQLQIEISA-N 306.387 2.910 0 40 DFAB COc1ccc(OCC(=O)NCCSC2CCCC2)cc1 25245738 LDWCIQPSJSSQCG-UHFFFAOYSA-N 309.431 2.866 0 40 DFAB CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9420620 WNYUGDBLCZBRRH-AWEZNQCLSA-N 313.401 2.545 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H]1CCc2cc(F)ccc21 96421478 BGHYPHYROPIDIB-FPCVCCKLSA-N 318.392 2.926 0 40 DFAB Cc1cscc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 94246530 RXXNAUYEICSVSO-NSHDSACASA-N 307.293 2.536 0 40 DFAB C[C@H]1CN(C(=O)c2cnc3c(F)c(Cl)ccc3c2O)CCO1 72289244 WALJBGDNYBHLRU-QMMMGPOBSA-N 324.739 2.594 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCSCC(C)(C)O 89922441 VRYBKANDQBZHFT-RDBSUJKOSA-N 314.495 2.853 0 40 DFAB CC(C)c1ccc(OCCNC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1 97107847 ABZFLTOSDOAGBD-GDBMZVCRSA-N 320.433 2.601 0 40 DFAB Cc1cccc(C(=O)NCc2nnc(C(C)C)n2C)c1Cl 97114713 RQEONOMZLKBKLA-UHFFFAOYSA-N 306.797 2.830 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C1=COCCC1 97145643 QFGQCLASIGSFGK-CQSZACIVSA-N 301.386 2.926 0 40 DFAB C[C@@H]1CN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H](C)S1 75890770 DPSOSDJIIVAFLP-UMVBOHGHSA-N 306.431 2.838 0 40 DFAB O=C(Nc1cccnc1Cl)N[C@@H]1CCC[C@H]1n1ccnc1 76091860 STXYLRAOCLRHMW-ZYHUDNBSSA-N 305.769 2.847 0 40 DFAB CN(Cc1ccccc1)CC(C)(C)NCc1cnc2cnccn12 95436217 DMCHVCWJDLXPFX-UHFFFAOYSA-N 323.444 2.730 0 40 DFAB CN(C)c1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)o1 95447283 GVKUKZWBBOBHHI-KGLIPLIRSA-N 312.373 2.787 0 40 DFAB CC(C)Oc1cccc(CC(=O)NC2(C(=O)O)CCCC2)c1 95424226 QKJAXNBZCICPMC-UHFFFAOYSA-N 305.374 2.530 0 40 DFAB CN(Cc1nc(-c2ccccc2)c[nH]1)[C@@H](C(N)=O)c1ccccc1 95418871 GZXXUXCXWUFZGU-GOSISDBHSA-N 320.396 2.735 0 40 DFAB CCN(Cc1ccoc1)[C@H](C)C(=O)Nc1ccnn1C(C)C 95430642 KFYISWWBUKGOFD-CYBMUJFWSA-N 304.394 2.906 0 40 DFAB COc1cccc(-c2cc(NC(=O)c3cc(C)no3)n(C)n2)c1 95447510 OZXZCGOARVZRPR-UHFFFAOYSA-N 312.329 2.644 0 40 DFAB C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cnn(C)c1 78951196 NUBIARSRPRZOGT-UWVGGRQHSA-N 308.332 2.820 0 40 DFAB C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)n1cccn1 85482913 GYQKNSUVIDUXSZ-ZBFHGGJFSA-N 311.385 2.708 0 40 DFAB c1nc(N2CC[C@@]3(CCOC3)C2)c2c3c(sc2n1)CCC3 95964999 SUESYXDNDORMTD-MRXNPFEDSA-N 301.415 2.797 0 40 DFAB CCCn1nnnc1COc1ccc(Br)cc1F 95946873 FPCFSEKYTUPXPD-UHFFFAOYSA-N 315.146 2.564 0 40 DFAB COC(=O)c1sccc1CN(C)C[C@H](O)c1ccc(F)cc1 89364851 JBUQMASYCCMBEJ-AWEZNQCLSA-N 323.389 2.839 0 40 DFAB COc1cccc(CNc2ccc3nc4n(c(=O)c3c2)CCC4)c1 89470097 IWHLAEJCAXWXIF-UHFFFAOYSA-N 321.380 2.963 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)[nH]1 75118439 TUFBOXHIYTVCPP-HZMBPMFUSA-N 300.358 2.672 0 40 DFAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCC2CCCCC2)C1 76384229 PHURIVONEJSWNZ-GJZGRUSLSA-N 315.479 2.819 0 40 DFAB CN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 78035225 OVEUZBVDGULBRG-IUODEOHRSA-N 318.398 2.519 0 40 DFAB O=C(CCCc1ccccn1)NC[C@@H](O)c1c(F)cccc1F 77634790 QZFCKSNZONJZNK-OAHLLOKOSA-N 320.339 2.532 0 40 DFAB COc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)c(OC)c1 31677046 BFNPWBOQWUMVKA-QMMMGPOBSA-N 307.268 2.610 0 40 DFAB Cc1cc(NCCNc2cc(C)[nH]c(=S)n2)nc(=S)[nH]1 71775406 MTMDBRRMGPJERA-UHFFFAOYSA-N 308.436 2.733 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1cc[nH]n1 72385729 WZHPIUKHYWNMGF-HNNXBMFYSA-N 302.378 2.701 0 40 DFAB C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc2ccn(C)c12 1561118034 VTTFSWXYUBUDLP-GFCCVEGCSA-N 318.398 2.681 0 40 DFAB C[C@@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 32579500 BDBWDAGHOCZQKG-SECBINFHSA-N 321.739 2.631 0 40 DFAB Cc1noc(COC(=O)c2cc3ccc(F)cc3nc2C)n1 32895124 BOQJLYWAGXHKFK-UHFFFAOYSA-N 301.277 2.731 0 40 DFAB CCOc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)NC2=S)cc1 210212930 YKBQRIUPULKLEA-UVTDQMKNSA-N 313.382 2.676 0 40 DFAB Brc1ccc2c(c1)CN(Cc1ncccn1)CCO2 225787420 JRHNWBDQTSQWAI-UHFFFAOYSA-N 320.190 2.634 0 40 DFAB COc1ccc([S@@](=O)Cc2cn3ccccc3n2)cc1OC 83977913 BWCYBHPVFFMAMU-JOCHJYFZSA-N 316.382 2.659 0 40 DFAB O=C(Cn1cc(Br)cn1)Nc1ccc(F)c(F)c1 47902273 APYWQBXZEKQPRA-UHFFFAOYSA-N 316.105 2.563 0 40 DFAB CCS(=O)(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 223025689 FSSYWLRFDWZCJU-UHFFFAOYSA-N 309.391 2.545 0 40 DFAB CCOCc1cc(C(=O)NC[C@H]2CCCO2)ccc1OCC 224693353 XPOYMCVQFLOELN-OAHLLOKOSA-N 307.390 2.531 0 40 DFAB CC[C@@H](C)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386255 XOFQVUJPEVKDTA-DOMZBBRYSA-N 314.385 2.601 0 40 DFAB COCCOc1ncc(NC(=O)C2(OC)CCCCC2)cc1C 225888248 HKGXZGVWSNKPFF-UHFFFAOYSA-N 322.405 2.703 0 40 DFAB Cc1ccc2nc(C3CC3)cc(C(=O)NCCc3ncon3)c2c1 96446319 UELKZBQIISVWRW-UHFFFAOYSA-N 322.368 2.776 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)N(C)Cc1cccs1 95434982 CLFHLJDXAVCCCN-UHFFFAOYSA-N 307.375 2.835 0 40 DFAB COc1cnc(O[C@@H]2CCN(Cc3ccccc3Cl)C2)nc1 1203388123 IKTCVGDCEYCXBP-CYBMUJFWSA-N 319.792 2.792 0 40 DFAB C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(N(C)C)ccn1 97101825 WQRBSLXTEIKKMB-LLVKDONJSA-N 317.414 2.600 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CO1 96105834 ZGPXGAKMKPXQAP-OAHLLOKOSA-N 321.392 2.792 0 40 DFAB COc1ccc([C@@H]2C(C(=O)O)=CSc3[nH]c(=O)sc32)cc1 96318910 SKMPVSUASWMDQU-SNVBAGLBSA-N 321.379 2.651 0 40 DFAB C1CCC(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)C1 96057916 SLGLRVKRLBXXME-IPMKNSEASA-N 323.477 2.852 0 40 DFAB CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC(=O)N1)CCC2 95447635 LNUOWSDDXXXEEE-HZPDHXFCSA-N 300.402 2.582 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)CO1 96105775 DTAATLDZHZMMPD-KRWDZBQOSA-N 317.429 2.582 0 40 DFAB O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H]1c1ccsc1 96472428 VXKUUEODTULGTG-KBPBESRZSA-N 315.460 2.784 0 40 DFAB Cc1cc(CN2CC[C@H]3OCCC[C@]3(COC(C)C)C2)no1 96040548 IQCVQZJEXSSRCX-IAGOWNOFSA-N 308.422 2.779 0 40 DFAB CCOC[C@H]1CN(Cc2c(C)noc2C)Cc2cn(CC)nc21 96198084 KMCZJGDSROVHPF-OAHLLOKOSA-N 318.421 2.644 0 40 DFAB NC(=O)CN1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1 257285911 PJKGDCHAHXNSKS-CQSZACIVSA-N 315.348 2.635 0 40 DFAB O=C(/C=C/c1cccs1)N[C@H](Cn1nccn1)c1ccccc1 253408845 YULYNSUCOLLEFZ-ROJDOSBLSA-N 324.409 2.911 0 40 DFAB O=C(N[C@]1(C(=O)O)CC2CCC1CC2)OCc1ccccc1 253187194 UIDHTBJNOGLOIM-MKTAYPAQSA-N 303.358 2.946 0 40 DFAB Cn1ccc2c(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)O)cccc21 531743287 INBALXVGTDSMMS-CQSZACIVSA-N 312.369 2.505 0 40 DFAB Cc1cc(CN2CCC3(CC2)CC(NC(=O)OC(C)C)C3)n[nH]1 585104073 VXIPUPSPWXMUQI-UHFFFAOYSA-N 320.437 2.597 0 40 DFAB O=C(CN1C[C@H]2CCC[C@@H]2C1)Nc1nc2ccccc2s1 152701111 GVGGJUPVHQACLB-VXGBXAGGSA-N 301.415 2.967 0 40 DFAB CC(C)(CN[C@@H]1CCc2cc(Br)ccc21)C(N)=O 195558763 XOHRBSUISULWBO-GFCCVEGCSA-N 311.223 2.538 0 40 DFAB CSc1ccc(COC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5527672 UYRUDUWLPYMHLW-MYZSUADSSA-N 318.394 2.975 0 40 DFAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CC1 5200046 QEKHAAXAWXGVAT-UHFFFAOYSA-N 314.307 2.891 0 40 DFAB CCn1nc(NC(=O)CCOC)c2cc3cc(C)ccc3nc21 17027574 OCEMZPGFMZGKNG-UHFFFAOYSA-N 312.373 2.888 0 40 DFAB CC1(Cl)C(c2ccccc2)=[N+]([O-])[N+]([O-])=C1c1ccccc1 19167053 RYAYMELORFJVAT-UHFFFAOYSA-N 300.745 2.912 0 40 DFAB CCCc1nc(CNc2cc3c(cc2F)NC(=O)CC3)no1 155863843 NPXKDHHOJQPYEM-UHFFFAOYSA-N 304.325 2.658 0 40 DFAB Cc1ccc2c(COC(=O)[C@@H]3CCCO3)cc(=O)oc2c1C 28856017 VZWSKVGKZHQHIL-AWEZNQCLSA-N 302.326 2.632 0 40 DFAB CN(C)[C@H](CNC(=O)NCCc1cccs1)c1cccs1 29655241 XUPLGKSFUQIHLF-CYBMUJFWSA-N 323.487 2.954 0 40 DFAB O=C(Cn1ccc2ccccc21)NCCSC1CCOCC1 238954650 XRQNFCRBVKJATF-UHFFFAOYSA-N 318.442 2.670 0 40 DFAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)C2CCC2)C1 2037916038 JHKNGUBZTFTUEZ-SFHVURJKSA-N 303.402 2.873 0 40 DFAB CC(C)(C)NCCOC(=O)c1ccc(Br)cc1 6645962 IUHWSUXXYPFUID-UHFFFAOYSA-N 300.196 2.994 0 40 DFAB CCn1nc(C(=O)Nc2nnc(-c3cccs3)o2)cc1C 13703290 BNTYYKCEKXLDJW-UHFFFAOYSA-N 303.347 2.575 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CC[C@]2(COc3ccccc32)C1 2055793347 RQQCUWVETDDRFR-GOSISDBHSA-N 310.353 2.728 0 40 DFAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1cnc2ccccc2n1 38490483 DTUFRYOFRUSEER-UHFFFAOYSA-N 324.365 2.858 0 40 DFAB CCOc1cccc2sc(NC(=O)c3c(C)cnn3C)nc12 38506318 LVRNKDPXLDNWRD-UHFFFAOYSA-N 316.386 2.989 0 40 DFAB Cc1ccccc1Cn1nc2ccc(-c3ccccc3)nn2c1=O 49399339 BVJZRQRXZMJJOV-UHFFFAOYSA-N 316.364 2.915 0 40 DFAB O=C(NCc1cn(-c2ccsc2)nn1)c1ccc(Cl)s1 575619869 ZYJWXDZTSCBVAB-UHFFFAOYSA-N 324.818 2.974 0 40 DFAB O=S(=O)(NCc1ccc(-c2ccsc2)o1)c1cccnc1 618255469 DAGCYAIRORFOID-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1 40526575 CAYIZNMPXLQRSN-UHFFFAOYSA-N 322.361 2.551 0 40 DFAB CCN1CCN(C[C@@H](O)c2cc(Cl)ccc2Cl)CC1 51085852 CKZWJIZNUGPLMP-CQSZACIVSA-N 303.233 2.664 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2ccsc2)CC1 51129685 XLYIRSSXRJCJRT-GFCCVEGCSA-N 318.446 2.887 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1C[C@@H]1c1cccnc1 51341816 BJRKIFKRXYVWAD-MSOLQXFVSA-N 318.380 2.687 0 40 DFAB COc1ccc(CCNC[C@H](O)c2ccccc2)cc1OC 2524859 ZZTAKCGSXKWHAD-INIZCTEOSA-N 301.386 2.570 0 40 DFAB CCN(CC)CCSc1nnc2c(n1)[nH]c1ccccc12 1509601 RLGUZUAYLHFFEH-UHFFFAOYSA-N 301.419 2.940 0 40 DFAB COC[C@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 29602754 ZOICEWZACAQOJN-JTQLQIEISA-N 322.405 2.951 0 40 DFAB CC1=C(C(=O)O)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 6664567 UWOGYNXGVKWPLM-SNVBAGLBSA-N 301.129 2.706 0 40 DFAB Cc1n[nH]c2c1[C@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 6678609 SEZLJEZPIYFMBK-SDBXPKJASA-N 317.370 2.610 0 40 DFAB CNC(=O)c1ccc2[nH]c(-c3ccc(OC)c(OC)c3)nc2c1 107704433 DJQDFFMTCZLCSO-UHFFFAOYSA-N 311.341 2.607 0 40 DFAB Cc1ccc(OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 7656904 SPGASTZXIZLFEB-UHFFFAOYSA-N 320.348 2.870 0 40 DFAB COCCOc1ccc(CNc2ncnc3ccccc23)cn1 52315434 LBPMYMWZLWFTNF-UHFFFAOYSA-N 310.357 2.662 0 40 DFAB CN(Cc1cccnc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 46455212 RRXHGQTUOSSQEY-UHFFFAOYSA-N 310.332 2.883 0 40 DFAB CCN(CCNC(=O)CCc1nc2ccccc2s1)C1CC1 69485532 PVFVKMGYHAEDIY-UHFFFAOYSA-N 317.458 2.829 0 40 DFAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 52537452 DDKGUFSNWAOROB-UHFFFAOYSA-N 313.376 2.586 0 40 DFAB Fc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1F 69738383 CLWQCVDURQMSJX-ZDUSSCGKSA-N 304.344 2.513 0 40 DFAB Cc1ccccc1CS(=O)(=O)NCCN(C)c1ccccc1 10113747 VSQYCWZMOOOEJC-UHFFFAOYSA-N 318.442 2.551 0 40 DFAB COc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 8699188 KHORCGWXPAYAIP-IRXDYDNUSA-N 311.381 2.995 0 40 DFAB COc1ccccc1OCC(=O)NCCc1cc2ccccc2[nH]1 83982652 DYQBZMIVEODIPT-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccccc3O)c(=O)oc12 789094 GXLGZSWZLVXDAD-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB Cn1c(SCc2c(Cl)ccc3cccnc23)n[nH]c1=O 42152818 IZYPCLOJOUNKGQ-UHFFFAOYSA-N 306.778 2.602 0 40 DFAB NC(=O)CC1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 53890706 BJLPPJQJRIRWFK-UHFFFAOYSA-N 322.836 2.777 0 40 DFAB COC(=O)CSc1cc(C(F)(F)F)c2c(C)n(C)nc2n1 12398499 WGRFDKAYPPEZCG-UHFFFAOYSA-N 319.308 2.561 0 40 DFAB O=C(NCc1ccccc1)Nc1ccc(N2CCNC2=O)cc1 54393117 WMICILYDFRECMO-UHFFFAOYSA-N 310.357 2.538 0 40 DFAB Cc1ccccc1OCC(=O)NCCOc1ccc(F)cc1 29293586 KEICFGQWSDRYHS-UHFFFAOYSA-N 303.333 2.708 0 40 DFAB 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CC[C@@H](c1ccccc1)N1CCN(Cc2noc(C)n2)CC1 95959695 PIPLVQWGTZGGSQ-INIZCTEOSA-N 300.406 2.647 0 40 DFAB CN(C[C@H](O)c1cccc(Br)c1)[C@@H]1CCSC1 89936537 LDRWGJYXFNRVBE-OLZOCXBDSA-N 316.264 2.920 0 40 DFAB O=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1CCCO1 3241423 FNOLQOBXPAWZID-NWALNABHSA-N 312.778 2.785 0 40 DFAB Cc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl 5184319 HCTGKTKDBWIAHH-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB O=C(NCc1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 5251091 JRGQCEMMOYPLHA-UHFFFAOYSA-N 312.753 2.796 0 40 DFAB O=c1[nH]c2ccccc2cc1CNc1ccc2c(c1)OCCO2 12144322 TVFOLLCECQEAHB-UHFFFAOYSA-N 308.337 2.911 0 40 DFAB COc1ccc([C@@H]2CCCCN(C(=O)Cn3cccn3)C2)cc1 206883221 NCBQTKYQODSIHW-MRXNPFEDSA-N 313.401 2.688 0 40 DFAB Cc1nc(Nc2ccc(S(C)(=O)=O)cc2)cc(C(F)F)n1 1888875934 MHMDMCDBPCFYOM-UHFFFAOYSA-N 313.329 2.870 0 40 DFAB O=C(NC(=S)Nc1ccccc1)c1cc2ccccc2oc1=O 5741088 ZYNULKQWXGUQTQ-UHFFFAOYSA-N 324.361 2.920 0 40 DFAB C[C@H](O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCCO2 13946025 CQUOTDODNNCHDU-JTQLQIEISA-N 317.316 2.903 0 40 DFAB c1cnc2ncnc(NC[C@@H](c3ccsc3)n3cccn3)c2c1 1775971788 UWXQGLIDZIWXNJ-AWEZNQCLSA-N 322.397 2.984 0 40 DFAB Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)ncn1 301264152 VTEBWBSOTUAFOQ-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2nc(-c3ccco3)cs2)n1 44451339 NPWBADLNPOPWRV-UHFFFAOYSA-N 302.359 2.855 0 40 DFAB Cc1ccc(-c2noc(CN3C[C@H](C)OC[C@@H]3C)n2)cc1F 40071836 RMOVUSIIYRRAED-RYUDHWBXSA-N 305.353 2.793 0 40 DFAB C[C@@H]1C[C@H](Sc2nnc3ccc(C(F)(F)F)cn23)C(=O)O1 40040292 TWDHXTNYHSNHES-SVRRBLITSA-N 317.292 2.544 0 40 DFAB O=C1NCCC[C@@H]1NCc1ccc(F)c(-c2cccs2)c1 50395463 ZTCMIBAENIIFJD-AWEZNQCLSA-N 304.390 2.922 0 40 DFAB O=C(NCc1cccc(N2CCCC2=O)c1)Nc1nccs1 40554021 ANNPCVILFLUPNJ-UHFFFAOYSA-N 316.386 2.592 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)c1 40555815 DVQQLTQCRUQTLO-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 20567982 DLTPDWQFBJRFCM-HNNXBMFYSA-N 321.808 2.900 0 40 DFAB O=C(CCc1ccco1)NCc1ccccc1Cn1cccn1 45701350 WUHZHMZCALAXOO-UHFFFAOYSA-N 309.369 2.773 0 40 DFAB Cc1noc(C)c1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 29115037 PIQQKORHVCRDKZ-CQSZACIVSA-N 304.321 2.644 0 40 DFAB COCCN(CCOC)Cc1coc(-c2cccc(F)c2)n1 45822976 VXKZJXUDFSQQEF-UHFFFAOYSA-N 308.353 2.576 0 40 DFAB CC(C)CCNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 412824 AVCIOHMWRSXJJM-UHFFFAOYSA-N 323.481 2.903 0 40 DFAB CC(=O)Nc1ccc(S[C@@H](C(N)=O)c2ccccc2)cc1 11672273 UGUNDQPHKNCWSA-OAHLLOKOSA-N 300.383 2.964 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)cc1)NOCc1ccccc1 29728506 OWBQVYJMSZJQFF-HNNXBMFYSA-N 320.776 2.804 0 40 DFAB Nc1cc2c(cc1I)-c1ccccc1[C@@H]2O 1705952 IFTXYCQFXWTARR-ZDUSSCGKSA-N 323.133 2.936 0 40 DFAB CCCS[P@@](=O)(OCC)SCc1cc(=O)[nH]c(=O)[nH]1 2567003 FSLAQOJRIPBXOZ-QGZVFWFLSA-N 324.364 2.584 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2F)c1 3394420 NDZRSICFXDAWQA-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB CN(Cc1ccccc1)C(=O)CCNC(=O)c1cccs1 32714782 DWZZZKXUYWKWOA-UHFFFAOYSA-N 302.399 2.527 0 40 DFAB COc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cn1 11980499 FSSYQUSKAGHHOZ-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB Cc1nc([C@@H](C)NC2CCN(C(=O)C3CC3)CC2)c(C)s1 37142733 GRCNWZQWKLORJM-SNVBAGLBSA-N 307.463 2.812 0 40 DFAB CC1CCC(NC(=O)CCNC(=O)Nc2ccccc2)CC1 8311950 FXSVGATXVNCBDH-UHFFFAOYSA-N 303.406 2.893 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1ccc(C(F)(F)F)cc1 101404447 IQXMHXQFRCNMCZ-UHFFFAOYSA-N 317.292 2.678 0 40 DFAB Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 22313726 AJUGPHCKQVGYNA-UHFFFAOYSA-N 309.369 2.609 0 40 DFAB O=S(=O)(/N=C(\O)C1CCCCC1)c1ccc(Cl)nc1 42281881 IHQSGAQTRSGURI-UHFFFAOYSA-N 302.783 2.961 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@H]1c1ccsc1 47028416 LCIQPQCKNMXVJJ-OCCSQVGLSA-N 304.419 2.880 0 40 DFAB COc1ccc(Cl)cc1NC(=O)Cn1c(C)csc1=O 8391105 PEZSWWGALHLOJL-UHFFFAOYSA-N 312.778 2.519 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)sc1C 23325744 FTKBJQGGVCPERE-UHFFFAOYSA-N 324.427 2.989 0 40 DFAB CCOC(=O)c1cc2cc(C(=O)NCc3ccccn3)ccc2[nH]1 24491414 RYWYJTQUPXJRBF-UHFFFAOYSA-N 323.352 2.670 0 40 DFAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccc2cn[nH]c2c1 12547250 TUUHYPIUTCQFNJ-AWEZNQCLSA-N 309.325 2.760 0 40 DFAB Cc1cnn(C[C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)c1 106843637 CQGFGTAKQMXEPB-TZMCWYRMSA-N 301.394 2.678 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nc(C)cn3C2)C1(C)C 106903235 LOOKUSHLMQLVHT-IIAWOOMASA-N 301.434 2.861 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)n(C)n1 89870143 CPZNEBVKMFLPQV-UHFFFAOYSA-N 309.373 2.745 0 40 DFAB C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1c1ccsc1 57017046 APYLRAOSYFCMMC-OCCSQVGLSA-N 321.446 2.606 0 40 DFAB CSc1nc(C)c(CCC(=O)N(C)C2CCCCC2)c(=O)[nH]1 26956968 AHGNFBQGWBTODE-UHFFFAOYSA-N 323.462 2.524 0 40 DFAB COc1cccc(OC)c1C(=O)NCCOc1ccccc1 22479838 KIKQXWDHYBIOAY-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2C)cc1C(=O)O 76082338 BIBFSINDUPVKRT-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1 58306080 LNXUBVLGXJNCPG-JZXOWHBKSA-N 316.445 2.709 0 40 DFAB COc1c(CN[C@H]2CCCOc3ccc(F)cc32)c(C)nn1C 58426864 IPHCQLXUIBEDHK-HNNXBMFYSA-N 319.380 2.880 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1ccc(F)cc1 29094146 AGDTVWITUMAUNG-IRXDYDNUSA-N 302.393 2.672 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 3385964 RVTIFNPCZVFTDQ-UHFFFAOYSA-N 319.263 2.573 0 40 DFAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 3313741 LDGJKXDBYFWPDM-ZDUSSCGKSA-N 302.418 2.725 0 40 DFAB COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)ccc2C)c1 48236781 HIYDPBGWOVWPFH-UHFFFAOYSA-N 313.353 2.673 0 40 DFAB CCOC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 12915751 FPQZGYPYPHGAPJ-UHFFFAOYSA-N 311.407 2.868 0 40 DFAB Cc1ccccc1[C@H]1CCN(Cc2cc(=O)n3ccccc3n2)C1 69455386 KLHZEEXWKMDQLO-INIZCTEOSA-N 319.408 2.992 0 40 DFAB CCCN1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 69414849 NJBRIUFUDGCICA-LBPRGKRZSA-N 306.435 2.887 0 40 DFAB CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 48978431 RNHAMIGTFHDOAP-OAHLLOKOSA-N 300.402 2.688 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCCC[C@@H]1Cn1cccn1 69655772 BDOYSGMHVONRCQ-CQSZACIVSA-N 324.384 2.648 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)no1 4385141 AECZCWUBZAYVQX-JTQLQIEISA-N 319.748 2.628 0 40 DFAB CC(=O)n1nc(C)c(/C=C2\N=C(c3ccccc3C)OC2=O)c1C 65577873 PZRDRHAGFPNUAT-SXGWCWSVSA-N 323.352 2.813 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2ccccc2F)cc1 6551781 IBHCWTZKFFDERK-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB COc1ccccc1NC(=O)c1c(O)n(C)c2ccccc2c1=O 6557242 ZPGVLRABOQZZJG-UHFFFAOYSA-N 324.336 2.505 0 40 DFAB O=C(CSc1ncc2ccccn12)NCCc1ccccc1 8709984 HHGVBTMTQIIBDV-UHFFFAOYSA-N 311.410 2.785 0 40 DFAB Cc1ccccc1OCCN1C(=O)N[C@@H](Cc2ccccc2)C1=O 8726559 VPCTZWUIVKBTJD-INIZCTEOSA-N 324.380 2.537 0 40 DFAB Cc1ncc([C@@H](C)NCc2cccc(Cn3cncn3)c2)s1 90402335 ZWCOJVVUMIPHDU-GFCCVEGCSA-N 313.430 2.942 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)cc1F 7552562 UUNPXYJEJRRKBP-AWEZNQCLSA-N 322.311 2.641 0 40 DFAB CCN(CC=C(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 7681206 MMENFYBWWNIBMC-UHFFFAOYSA-N 303.406 2.872 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(NCC(=O)NC4CC4)c23)C1 7903125 VOUOIGQWYFDZHQ-VIFPVBQESA-N 316.430 2.507 0 40 DFAB CNc1snc(C)c1C(=O)OCC(=O)c1ccc(C)s1 8192502 GLSJESPURCJXQS-UHFFFAOYSA-N 310.400 2.903 0 40 DFAB Cn1cc(CNCCc2nccn2C)c(C2CCCCC2)n1 96010130 PRNOLEYYNXZRLD-UHFFFAOYSA-N 301.438 2.534 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(F)c(F)c1 78898370 YWTQZNZROXZDAB-BZNIZROVSA-N 308.372 2.701 0 40 DFAB Cc1cc(=O)c(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)c[nH]1 84068194 SKLSTNTZOBDRBB-HNNXBMFYSA-N 311.385 2.780 0 40 DFAB Nc1cc2c(nn1)CCN(C(=O)CCCC1CCCCC1)C2 71859913 SNTYJUUCAYWTIG-UHFFFAOYSA-N 302.422 2.694 0 40 DFAB C[C@@H](N)[C@@H]1CCN(Cc2cc(F)ccc2Br)C1 97047684 QLYPAJBOTYVLMR-NXEZZACHSA-N 301.203 2.757 0 40 DFAB Cc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)nc1 97015913 BVALXLCUPWYJFT-OAHLLOKOSA-N 310.319 2.930 0 40 DFAB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccs1 60341640 QOMPMVJBKJSRRZ-ZDUSSCGKSA-N 311.428 2.714 0 40 DFAB C1C[C@H](c2noc(C3CC3)n2)CN(Cc2noc(C3CC3)n2)C1 72299849 DNUZKBCASHNKBA-LBPRGKRZSA-N 315.377 2.587 0 40 DFAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nc(C)c(C)o1 72268595 MQGMMQFMMHNLIB-CABCVRRESA-N 305.422 2.657 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 97104010 JLNPPPKGQZNVPU-NXEZZACHSA-N 324.343 2.891 0 40 DFAB COC(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 84640881 FQOMGGFDDIMBTK-STQMWFEESA-N 324.446 2.521 0 40 DFAB CC(=O)c1ccc(F)cc1O[C@@H]1CCN(CC(F)(F)F)C1=O 95427762 VSUIKXUVAIILLU-LLVKDONJSA-N 319.254 2.570 0 40 DFAB O=C(NCC(C1CC1)C1CC1)N1CC[C@H](Oc2cccnc2)C1 95417232 KJTYQYVECQJDQN-INIZCTEOSA-N 315.417 2.681 0 40 DFAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@]2(CNC(=O)C2)C1 98016347 PHCDAXVSTUXORG-SJKOYZFVSA-N 305.422 2.635 0 40 DFAB CCc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)nn1 544745385 DIYSFZIFMLACTA-MRXNPFEDSA-N 324.428 2.746 0 40 DFAB CCO[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)C12CCCCC2 95987990 FHHMGRHULPJISS-QLFBSQMISA-N 304.438 2.831 0 40 DFAB CN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1 89319438 CZIVNIUZFPIKFU-UHFFFAOYSA-N 313.401 2.818 0 40 DFAB COC(=O)C(C)(C)C(C)(C)NCc1cccc2c1OCCCO2 75108080 FWFSIVQFGGYGQW-UHFFFAOYSA-N 321.417 2.915 0 40 DFAB O=C(Cc1ccc(Br)cc1)NCCc1ccc[nH]1 89767987 XHZRHLDUILATJF-UHFFFAOYSA-N 307.191 2.679 0 40 DFAB CSCCc1ccc(NC(=O)NC2CCN(C)CC2)cc1 69685739 HVDOGEIEWRMDOM-UHFFFAOYSA-N 307.463 2.808 0 40 DFAB CCOc1ncc(C(=O)OCCCn2cccn2)cc1Cl 79029156 HYKAQUUAMDIXPW-UHFFFAOYSA-N 309.753 2.577 0 40 DFAB O=C(OCc1ccccc1)N1CCC(CSCCO)CC1 79392210 MKLSPHUMOPIAGD-UHFFFAOYSA-N 309.431 2.761 0 40 DFAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(C)=O)n2)s1 72375128 JJQIDTBLRYGXQU-GFCCVEGCSA-N 317.418 2.923 0 40 DFAB Cc1ccccc1Oc1nccnc1[C@H]1CCCN(CCO)C1 72361610 RMSFKZSRKJRRRZ-HNNXBMFYSA-N 313.401 2.749 0 40 DFAB NC(=O)c1cccc([C@@H]2CCCN(CCc3ccccc3)C2)n1 72358305 PRVKUTJDMTZSKH-MRXNPFEDSA-N 309.413 2.603 0 40 DFAB CN1C(=O)C[C@@H](C(=O)N2CCCCCC2)[C@H]1c1ccc(F)cc1 72242252 QDXBQWAPWGVKMJ-NVXWUHKLSA-N 318.392 2.748 0 40 DFAB O=C(NCC1(O)CCC1)N[C@H](c1cc(F)ccc1F)C1CC1 74893837 XQTNEBYJUVWBII-AWEZNQCLSA-N 310.344 2.630 0 40 DFAB Fc1ccc(-c2cc(CC3(NC4CCC4)COC3)no2)cc1 72321915 WDDJEHXEKAHCKJ-UHFFFAOYSA-N 302.349 2.934 0 40 DFAB biogenic,in-vitro CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(C)c(Cl)c1 189962680 RLCKDTNTBCKXSL-CYBMUJFWSA-N 324.808 2.614 0 40 DFAB COCCCNC(=O)c1nnsc1-c1ccc(Cl)cc1 72242912 KIZVYJLKDWHWCL-UHFFFAOYSA-N 311.794 2.625 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](c2ccccc2)C1 1569418208 OWOHFYOZAIBPSG-INIZCTEOSA-N 320.396 2.838 0 40 DFAB COc1ccc([C@@H](CC(=O)O)CC(=O)Nc2cccnc2)cc1 226750893 HWZQPXMAQLINRB-CYBMUJFWSA-N 314.341 2.677 0 40 DFAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)sc2c(F)cccc21 574452979 OOAUBEYTGMFVBO-LLVKDONJSA-N 322.405 2.993 0 40 DFAB Cc1cc([C@H](C)NC(=O)NC[C@@H]2CC[C@@H](O)C2)cc(C)c1F 195578356 NJOSVBYWTUZGTL-GZBFAFLISA-N 308.397 2.964 0 40 DFAB CCc1nc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)no1 331542760 HVYLIKDEUGBNRS-HZMBPMFUSA-N 303.337 2.994 0 40 DFAB COCCn1c(S(=O)(=O)CC2CCCCC2)nc(C)c1C 96403886 FLMZCCBKNMLIRD-UHFFFAOYSA-N 314.451 2.500 0 40 DFAB COCc1cnc2n1CCN(C(=O)/C=C/c1cccs1)[C@@H]2C 96109612 BBVAUYAMXOMUIY-BTDICHCPSA-N 317.414 2.708 0 40 DFAB Cc1ncsc1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96209022 IXCGCUIGNCLWLW-ZBFHGGJFSA-N 308.447 2.612 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cc2ccccc2o1 97231372 NKLLPYXPLLSGJJ-YPMHNXCESA-N 301.342 2.860 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3sccc3C)CC2)CO1 96208967 CSHAFIIWUVYZRY-ZDUSSCGKSA-N 309.431 2.714 0 40 DFAB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1nccnc1N 96432950 JOCOJYGKCQUXNR-HUUCEWRRSA-N 310.401 2.776 0 40 DFAB c1ccc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 96046955 PJQSRHSHOYOXGL-FQEVSTJZSA-N 322.456 2.965 0 40 DFAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3C2)cc1 96161728 RCUYTTYDVFYFLW-HDICACEKSA-N 323.440 2.538 0 40 DFAB COC(=O)c1cc(CN2CCO[C@@H](c3ccccc3C)C2)c[nH]1 93478507 FPZOIPZJVVCPAM-QGZVFWFLSA-N 314.385 2.683 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 257302700 SDYOAEQSQURCLE-HNNXBMFYSA-N 306.369 2.896 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 257240581 HUEPCRMKAOUCER-MRXNPFEDSA-N 322.412 2.914 0 40 DFAB c1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 53605820 SWDLJISGWSKJHZ-UHFFFAOYSA-N 312.417 2.655 0 40 DFAB COc1cc(OC)c(CNc2cc(C)nc(C)n2)c(OC)c1 44976842 HIOMRGZAIHJVEG-UHFFFAOYSA-N 303.362 2.731 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COC2CCCC2)C1 54223015 GGHLOEOQJFUABA-RDJZCZTQSA-N 316.445 2.897 0 40 DFAB O=C(O)c1cn([C@@H]2CCCC[C@@H]2NCC2CCCCC2)nn1 1551403798 YRHWQUIDFVKFPF-DZGCQCFKSA-N 306.410 2.630 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2scnc2C)C1 1615144349 RWNOUUIFLMXRHU-QGZVFWFLSA-N 318.442 2.776 0 40 DFAB NC(=O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1 16850150 SKSAFJKPIIMAFJ-UHFFFAOYSA-N 317.292 2.813 0 40 DFAB COC(OC)c1[nH]c(=S)[nH]c(=O)c1Cc1cc(C)ccc1C 16977635 ZFBZGJCQWNEZER-UHFFFAOYSA-N 320.414 2.932 0 40 DFAB O=C(CCC1CCCC1)Nc1ccc2c(c1)C(=O)NCCO2 9171504 FNLICXZVBPUVLW-UHFFFAOYSA-N 302.374 2.718 0 40 DFAB CC(C)(C)NC(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888849816 RAENXQSMFANQFV-LBPRGKRZSA-N 318.421 2.563 0 40 DFAB CC(C)N1CCCC[C@]2(CN(Cc3cccs3)CCO2)C1=O 2037981078 TUBXWMYOYPCZSY-KRWDZBQOSA-N 322.474 2.740 0 40 DFAB Cc1ccc(/N=c2\scc(C)n2N2CCOCC2)c(C)c1 9707466 GXBHYPRPQAPKDR-MSUUIHNZSA-N 303.431 2.675 0 40 DFAB O=C(Nc1nnc(SCc2cccnc2)s1)NC1CC1 35590141 QNNBAVUINSRVRA-UHFFFAOYSA-N 307.404 2.509 0 40 DFAB Cc1ccc(CC(=O)Nc2nnc(-c3ccncc3)o2)c(C)c1 44302923 IKRYOMQEJHMYHN-UHFFFAOYSA-N 308.341 2.930 0 40 DFAB Cn1ccc(C2CCN(C(=O)Cc3noc4ccccc34)CC2)n1 575617023 VFCUSQGSBKQQFV-UHFFFAOYSA-N 324.384 2.510 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(F)c3)oc12 191937 PQONHCLKNRDCIS-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB O=C(c1ccncc1)N1CCN(C/C=C/c2ccccc2)CC1 20038282 YBXJFNQTDPFIST-QPJJXVBHSA-N 307.397 2.553 0 40 DFAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(=O)N1 181541 PCTCOUMPCDNNQN-INIZCTEOSA-N 307.353 2.953 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CN2CCc3ccccc32)on1 51183698 DMFFFIAVGLCYPH-INIZCTEOSA-N 311.385 2.709 0 40 DFAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC4 294966 AWEOLIFTVZYZFZ-UHFFFAOYSA-N 322.393 2.892 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C)n1C 421380 FSTZMKKKWYMLSI-LLVKDONJSA-N 304.419 2.860 0 40 DFAB CC(=O)Oc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2 1581566 KVINMKCEWVCYED-UHFFFAOYSA-N 314.293 2.660 0 40 DFAB O=C(NCCN1CC=CC1)Nc1ncc(-c2ccccc2)s1 101397268 DGGGEVNCNBMMEB-UHFFFAOYSA-N 314.414 2.803 0 40 DFAB O=C(O)CSC(SCC(=O)O)c1ccccc1Cl 1685027 UANIDSDGVQPDEU-UHFFFAOYSA-N 306.792 2.974 0 40 DFAB CCCOc1ccc(C(=O)CCN[C@@H](C(=O)O)C(C)C)cc1 2922112 VOHOCFQZBUJFRB-MRXNPFEDSA-N 307.390 2.747 0 40 DFAB CC(=O)Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1 330506 NUXIZUMESHCDAU-UHFFFAOYSA-N 303.387 2.881 0 40 DFAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(C)C2=O)cc1Cl 6966833 OBJXBPGVSMEWSN-NTEUORMPSA-N 315.760 2.962 0 40 DFAB CC(C)c1ccsc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76052807 JPSRUAVYDMAXQE-DZGCQCFKSA-N 322.474 2.664 0 40 DFAB O=C(NC[C@H]1CCCO1)c1ccccc1C(=O)c1ccccc1 21633478 FAUZHBWFOKJQHW-OAHLLOKOSA-N 309.365 2.826 0 40 DFAB O=C(NCCc1cccs1)C1[C@H]2CC[C@H]1CN(CC1CC1)C2 107261833 ITOZXAHBUWYWIJ-GJZGRUSLSA-N 318.486 2.775 0 40 DFAB Cc1nn([C@H](C)C(=O)NC2CCCC2)cc1Br 2779275 YYQMZIXEOVLJPQ-SECBINFHSA-N 300.200 2.574 0 40 DFAB CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 523960 PISBWVJTQBOEIQ-HRAATJIYSA-N 305.314 2.994 0 40 DFAB O=C(NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1F 9993165 WBZITAAQXWGLOV-UHFFFAOYSA-N 306.724 2.734 0 40 DFAB COc1ccc(OC)c(NC(=O)CN2CCc3ccccc32)c1 1017435 TURBZWNSTYQNCN-UHFFFAOYSA-N 312.369 2.705 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1nccc2ccccc12 69818625 NSZPFGZWWKGGDL-IRXDYDNUSA-N 309.413 2.934 0 40 DFAB O=C(CCc1cccnc1)NCc1cccc(Cn2ccnc2)c1 24749078 BWSDVBFFLQAPTB-UHFFFAOYSA-N 320.396 2.575 0 40 DFAB CCOC(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1 24838614 VCRSSXFGUGBZEA-UHFFFAOYSA-N 320.389 2.802 0 40 DFAB Cc1ccc(SC[C@H](O)CS(=O)(=O)c2ccccc2)cc1 1385783 HCZZZDQVRCKSLO-AWEZNQCLSA-N 322.451 2.922 0 40 DFAB C[C@@H]1C(=O)N(CC2(O)CCCCC2)C(=O)N1c1ccccc1 71825047 BCGYDZMVHRXPKH-CYBMUJFWSA-N 302.374 2.539 0 40 DFAB COCCn1cnnc1SCCOc1cccc(Cl)c1 43463834 FFVAVPKJHMAPTN-UHFFFAOYSA-N 313.810 2.749 0 40 DFAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)O)c1 3223734 UPSLXFIXMLYQAZ-UHFFFAOYSA-N 322.338 2.551 0 40 DFAB COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(F)cc1 58160171 KNKCZNDNDUJUHV-IUODEOHRSA-N 324.396 2.644 0 40 DFAB C[C@@H](CNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 108106046 OYWPOUFNVPJIBC-OCVOHJKQSA-N 310.344 2.687 0 40 DFAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCC[C@@H](C)C2)C1=O 12617194 GWHMCQHOYUIFFU-KDOFPFPSSA-N 315.417 2.533 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)[C@@H]1CCCO1 44910381 UCQXITLTEFVSOY-OCCSQVGLSA-N 320.389 2.514 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1ccc(OC(F)(F)F)cc1 58330566 YJYPBZWWMGOCGI-LLVKDONJSA-N 305.252 2.773 0 40 DFAB COC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 62714889 GUUAYVFYSCEBLM-SNAWJCMRSA-N 301.136 2.653 0 40 DFAB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCO2 28220297 GCEMRHVEFAVPDA-UHFFFAOYSA-N 321.336 2.912 0 40 DFAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1O 10899880 NAZOOHJUQIGCNS-UHFFFAOYSA-N 310.353 2.671 0 40 DFAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccncc1 48278541 FFKRGZFOOUDEJD-XJKSGUPXSA-N 323.396 2.850 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]1c1ccsc1 48263036 OMTQIKRBXBKIPP-FZMZJTMJSA-N 318.398 2.823 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccccn1)c1cccs1 48237013 CPWLLNXBDLQKRK-SMDDNHRTSA-N 317.414 2.588 0 40 DFAB Cc1cccc(C[S@](=O)CC(=O)NCC2CCCCC2)c1 12891747 XRFBUOJZWXRAGU-OAQYLSRUSA-N 307.459 2.940 0 40 DFAB CCn1ccnc1COC(=O)Cc1coc2cc(OC)ccc12 69967469 SYWZREYPYNDWQO-UHFFFAOYSA-N 314.341 2.944 0 40 DFAB CS(=O)(=O)/N=C(\O)c1ccccc1CCc1ccccc1 48479199 RPVKPKQUAJRZTB-UHFFFAOYSA-N 303.383 2.736 0 40 DFAB O=C(CCNC(=O)c1cccs1)Nc1ccc(F)c(F)c1 12981081 PUZJJPPUQZLSGV-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB CCOC1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 71909003 GZPHUAOCUMROSV-KRWDZBQOSA-N 320.408 2.822 0 40 DFAB O=C(COC(=O)Cc1cccs1)Nc1cc(F)ccc1F 6121387 IAQXCRSRRDNXCM-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB C[C@H]1CCc2c(C(=O)N[C@H](C)Cn3ccnc3)csc2C1 65408871 HISUIMGDFYZTLG-NWDGAFQWSA-N 303.431 2.888 0 40 DFAB NS(=O)(=O)c1ccc(Nc2nc(-c3ccco3)cs2)cc1 4551682 SAQQNCOUXMBUOA-UHFFFAOYSA-N 321.383 2.794 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)Cn1nc(-c2ccco2)oc1=O 14233888 YNDXYDOXAHFTKP-UHFFFAOYSA-N 323.308 2.769 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1 6589535 KKRKTERUIYLBKG-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB NC(=O)N[C@@H](CC(=O)OCc1ccccc1)c1cccs1 14404627 IFRCTJOYOUWLSM-LBPRGKRZSA-N 304.371 2.591 0 40 DFAB CCCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCC1 89949891 NXRJIVPQXOIVCC-AWEZNQCLSA-N 318.417 2.971 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)NCCCn2ccc3ccccc32)cn1 68410666 STEYWMXNTDLVNQ-DLBZAZTESA-N 322.412 2.685 0 40 DFAB COC(=O)[C@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 16223625 WJCGZLPTYUDVII-JTQLQIEISA-N 302.326 2.569 0 40 DFAB CCNC(=O)COc1c(C)cc(Br)cc1Cl 8316458 DLTQFTFMBDBAOX-UHFFFAOYSA-N 306.587 2.926 0 40 DFAB C[N+]1=C2[C@H](OC(=O)c3ccccc3)CCN2Cc2ccccc21 17146394 MITCMRGEDKCCED-QGZVFWFLSA-N 307.373 2.804 0 40 DFAB biogenic O=C(NO[C@@H]1CCCCO1)c1sccc1Br 72059840 RXJMHWGNJKCWNV-MRVPVSSYSA-N 306.181 2.699 0 40 DFAB Cc1ccc2ncc(C(=O)N3c4ccccc4C[C@@H]3C)c(=O)n2c1 9830093 GFXGDTHACLXLEH-ZDUSSCGKSA-N 319.364 2.594 0 40 DFAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1nsc(N(C)C)n1 97080215 NBRBCQLNAVJXFT-GWNMQOMSSA-N 313.423 2.753 0 40 DFAB COCc1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 72240313 XOSFROWLPFWVQF-UHFFFAOYSA-N 317.410 2.580 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)N[C@@H]1CCc2ccccc21 72331069 ZKVGEKVEPQQTEO-GOSISDBHSA-N 323.392 2.884 0 40 DFAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)cn1 95417744 CFJZXVYHXJYOHG-NHYWBVRUSA-N 304.777 2.977 0 40 DFAB COCC(C)(C)N(CC(=O)N(C)C1CC1)Cc1ccccc1 95989379 HHDRTXLYDLCZQJ-UHFFFAOYSA-N 304.434 2.534 0 40 DFAB CCCCN1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1 20634313 NEXPKAXUEPLUFV-UHFFFAOYSA-N 312.421 2.635 0 40 DFAB COc1cccc(C(=O)N2C[C@H](C)Oc3ncccc32)c1F 89236415 GPVTVDLYUFVKPJ-JTQLQIEISA-N 302.305 2.657 0 40 DFAB CO[C@@H](CNC(=O)N(C)Cc1ccncc1)c1ccc(F)cc1 74928675 QBINBCWGNYXWLN-INIZCTEOSA-N 317.364 2.750 0 40 DFAB Cn1cc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)cn1 89755740 YPFDHVFHYIKIJG-MRXNPFEDSA-N 324.428 2.536 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 524733719 JXYDOFSYVLWLGW-SECBINFHSA-N 323.270 2.552 0 40 DFAB COC(=O)[C@@H]1C[C@@H]1C(=O)NC(c1cccs1)c1cccs1 78188896 GHXDTAAMIPKTTC-VHSXEESVSA-N 321.423 2.824 0 40 DFAB CCCOC(=O)/C(=C\c1ccncc1)NC(=O)c1ccccc1 32116757 XTGQAMBIEGIKFK-DTQAZKPQSA-N 310.353 2.806 0 40 DFAB biogenic,in-vitro Cc1nc2sccn2c1CNCCCN1CCC(C)CC1 37233674 WMDLCHUPSGVOBZ-UHFFFAOYSA-N 306.479 2.916 0 40 DFAB O=C(Cc1cccc(F)c1F)N1CCc2ccccc2[C@@H]1CO 185698467 QBYPAFCTUBMLJQ-INIZCTEOSA-N 317.335 2.626 0 40 DFAB CC(C)n1nccc1NC(=O)c1c[nH]c2c(F)cccc2c1=O 79481576 SKKLGFLUPSFBDI-UHFFFAOYSA-N 314.320 2.697 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2c2nc(C)cc(C)n2)cs1 72369225 KVRYCFFBPYKOKW-ZDUSSCGKSA-N 317.418 2.850 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1SCCc2ccccc21 79753931 NDPDKWVQBNAGGD-BBRMVZONSA-N 305.443 2.902 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)Oc2nn(C)c3ccccc23)n1 226755128 WRBVTBKPJXKNQP-GFCCVEGCSA-N 310.357 2.683 0 40 DFAB CCS(=O)(=O)c1ccccc1NC[C@@H](O)c1ccccc1C 225518820 QSTSSEMBRRYGPL-MRXNPFEDSA-N 319.426 2.934 0 40 DFAB Cc1csc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)n1 225721415 WWNCTKFPYYKESZ-LLVKDONJSA-N 321.427 2.983 0 40 DFAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C 195558654 QCZBILRXHMYNOL-CAOSSQGBSA-N 324.465 2.691 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCc2nc[nH]c2C1 197790429 RNXYGWFITTWILC-GFCCVEGCSA-N 303.793 2.527 0 40 DFAB CCCCc1nc(C)cc(N2CCC(c3cc(N)[nH]n3)CC2)n1 195563899 QWEVEIQOMNRPBM-UHFFFAOYSA-N 314.437 2.817 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3)n2)cc1OC 95534321 NDVJHXXQYTVSEC-MRXNPFEDSA-N 324.384 2.927 0 40 DFAB Cc1nc(Cc2c(F)ccc(F)c2F)n(C2CCN(C)CC2)n1 95527189 YOLITGVHQXKMFL-UHFFFAOYSA-N 324.350 2.861 0 40 DFAB N[C@H]1CCC[C@@H]1CCS(=O)(=O)c1cccc(C(F)(F)F)c1 93623376 AZZKWURBQWNPPB-MFKMUULPSA-N 321.364 2.997 0 40 DFAB Cc1ccc2nc(CO[C@H]3CN(CC4CC4)C[C@H]3F)[nH]c2c1 96112322 KHWLIYLCGLFDIN-CJNGLKHVSA-N 303.381 2.820 0 40 DFAB biogenic,in-vitro CC1CCN(C(=O)CSCc2nc(-c3ccco3)no2)CC1 96448017 MNHMCNKTSJULOK-UHFFFAOYSA-N 321.402 2.821 0 40 DFAB C[C@@H](C(=O)NCc1ccc(-c2cccnc2)cc1)n1cccn1 96433317 HDFJMIRJYVCKLX-AWEZNQCLSA-N 306.369 2.823 0 40 DFAB Cc1noc(C)c1CN1CC2(C[C@@H](OCC3CC3)CS2)C1 251987335 HWWYSTIUESTNJE-CQSZACIVSA-N 308.447 2.778 0 40 DFAB O=C(CCc1cccs1)N1CCO[C@@H](c2ccncc2)C1 257277282 NXEVNCQWWKDASC-OAHLLOKOSA-N 302.399 2.676 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 257329752 XLJSFTPVGNCRFS-LBPRGKRZSA-N 317.364 2.886 0 40 DFAB O=C(Cc1ccccc1C(=O)O)NCc1cccc2c1CCCN2 630574066 MRRZMRYXZFNKOA-UHFFFAOYSA-N 324.380 2.602 0 40 DFAB CC(C)CO[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1ncon1 585141422 ULOAAZYNAOJRPO-UKRRQHHQSA-N 317.389 2.531 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(=O)n(C)c1 69514355 MOYPRQCGEJUCQP-CQSZACIVSA-N 320.392 2.900 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2cn[nH]c2)cc1Br 93220754 UNIKNDXHKVBUPY-UHFFFAOYSA-N 308.179 2.753 0 40 DFAB Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccco2)on1 12184325 IOTVUOQJFJYFJR-UHFFFAOYSA-N 313.361 2.674 0 40 DFAB COCCN(CCOC)C(=O)Nc1cccc2ccccc12 16194357 HLSSSJMHVMXJND-UHFFFAOYSA-N 302.374 2.967 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccn3)cn2)n1 19658321 CYOLSISEPLVTRQ-AWEZNQCLSA-N 321.384 2.770 0 40 DFAB CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Br 19796143 LSNWFWHKHZIBJO-NSHDSACASA-N 315.211 2.974 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@@H]1CCCN1c1nccs1 206777317 CXLQGVQNSMDIRD-AWEZNQCLSA-N 319.405 2.610 0 40 DFAB O=C(/C=C/c1cccnc1)NCCCN1CCc2ccccc2C1 32401205 CKIFLYIPZUKHKZ-CMDGGOBGSA-N 321.424 2.659 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)C3CC3)c(C)n2n1 32907072 IMHMTBHJHPFIHD-CYBMUJFWSA-N 314.433 2.844 0 40 DFAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C3CCCCC3)C[C@@H]21 2037846751 XGUKMZYLYADILL-HYVNUMGLSA-N 300.450 2.956 0 40 DFAB Cc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)no1 11694694 SZZFIPXERFUUIA-UHFFFAOYSA-N 324.749 2.924 0 40 DFAB Cc1nc(Cc2nn3c(-c4ccco4)nnc3s2)cs1 32104025 RGUJFAIIYNVVOK-UHFFFAOYSA-N 303.372 2.802 0 40 DFAB COc1ccc([C@@H](O)CN2CCN(C3CCCCC3)CC2)cc1 49420865 FBTZWBWOZCPKRL-IBGZPJMESA-N 318.461 2.679 0 40 DFAB COc1ccccc1C(=O)NC[C@@H](C)N1CCc2ccccc21 40074459 JPLRDGQLOGESEC-CQSZACIVSA-N 310.397 2.876 0 40 DFAB CCCN(CC(=O)NC)C(=O)c1ccc(-c2ccccc2)cc1 40157576 IAUIGRFCVNVOLK-UHFFFAOYSA-N 310.397 2.952 0 40 DFAB COCCn1cnnc1S[C@@H](C)C(=O)c1cc(C)ccc1C 40456820 SQIPAWXGOXCHKD-ZDUSSCGKSA-N 319.430 2.905 0 40 DFAB Cc1nc(CCNC(=O)c2cnn(C(C)(C)C)c2C)cs1 40553472 PPXLCBPXJVOOAH-UHFFFAOYSA-N 306.435 2.684 0 40 DFAB CN(Cc1ccccn1)C(=O)c1ccc(NC(=O)C2CC2)cc1 40556283 ZDHQKOFEYCLKAA-UHFFFAOYSA-N 309.369 2.702 0 40 DFAB S=C(NC[C@H]1COc2ccccc2O1)NC1CCCCC1 34662 MAJBDHKKUMGIHH-ZDUSSCGKSA-N 306.431 2.623 0 40 DFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccccn1 248314 QUFNFSUJMWKKEB-OAHLLOKOSA-N 303.406 2.741 0 40 DFAB CCCn1cnc2c(SCc3ccccn3)nc(N)nc21 1682631 BXHLYYGSLVMVAK-UHFFFAOYSA-N 300.391 2.506 0 40 DFAB CCc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 21273096 WZUFPMWNGOCBLT-UHFFFAOYSA-N 303.383 2.905 0 40 DFAB O=c1[nH]c(CN2CCCCCC2)nc2sc3c(c12)CCC3 6594020 LESTXFRLTQRIDY-UHFFFAOYSA-N 303.431 2.849 0 40 DFAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 7053815 YJAIDMCCPAEKEJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCC[C@@H](CC(=O)NCc1ccc(OC)cc1)n1ccnc1 32714813 FIVVERHBMFHPEU-HNNXBMFYSA-N 301.390 2.939 0 40 DFAB O=C(O[C@H]1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12 2620913 UOTBLQAJZXELKJ-INIZCTEOSA-N 323.304 2.967 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102714308 XDKQZASWFPKWLP-BYMSMCERSA-N 321.442 2.992 0 40 DFAB CC(=O)[C@H]1[C@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@]1(C)O 9356606 NGTLYMQTTVSXRG-IKGGRYGDSA-N 302.349 2.501 0 40 DFAB COCCn1/c(=N/C(=O)c2ccco2)sc2cc(F)ccc21 100872625 PUNWMAVGSLHNAJ-ICFOKQHNSA-N 320.345 2.822 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(noc2C)C[C@]1(C)O 104142584 DWXONTTXPOFYOP-BBWFWOEESA-N 303.333 2.766 0 40 DFAB CCN1CCC[C@@H]1CNC[C@@H](O)COc1ccccc1C(C)C 22924044 HAHPTMDDSGHXQD-IAGOWNOFSA-N 320.477 2.624 0 40 DFAB COc1ccc(-c2n[nH]cc2CNC[C@@H]2CCCOC2)cc1 54181234 BXCZUZUMOPFZPU-ZDUSSCGKSA-N 301.390 2.602 0 40 DFAB CC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F 978346 WAYUQAMHURAOCK-UHFFFAOYSA-N 321.246 2.820 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)NC2CCC(C)CC2)s1 23953022 KOZRXLWXQSUNCH-UHFFFAOYSA-N 310.419 2.612 0 40 DFAB Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24061136 IODDUYVZZYEWMX-LJQANCHMSA-N 324.424 2.798 0 40 DFAB Cc1ccc(C(=O)CCC(=O)N(C)Cc2cnn(C)c2)cc1C 24476146 VWUVMICXQJNPFK-UHFFFAOYSA-N 313.401 2.658 0 40 DFAB COc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 106031335 QNWWEMHIGRNMJV-JYJNAYRXSA-N 314.429 2.780 0 40 DFAB CN(Cc1ccccc1F)C(=O)COC(=O)c1cc(Cl)c[nH]1 25199806 WWWFSFZIBHCYFZ-UHFFFAOYSA-N 324.739 2.623 0 40 DFAB COc1ccccc1N(C)C(=O)[C@@H]1CC(c2ccccc2)=NO1 55744769 XOAUUGRRDLXVRK-KRWDZBQOSA-N 310.353 2.851 0 40 DFAB CCCOc1cccc(CNC(=O)NCc2ccnc(C)n2)c1 57076076 ZWFWQVWLBQEFCL-UHFFFAOYSA-N 314.389 2.573 0 40 DFAB O=C(Nc1ccc(-c2csnn2)cc1)c1cnn2cccnc12 57241633 GXOQOJCHURWELI-UHFFFAOYSA-N 322.353 2.500 0 40 DFAB COc1ccc([C@H](C)[C@H](C)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 108114676 STGOMVBCAKPCIR-GFIVTLFCSA-N 318.461 2.640 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 44869059 KVZMLLPIUXRWFV-OAHLLOKOSA-N 320.776 2.817 0 40 DFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc3[nH]ccc13)CS2 58283305 KNEJEXMJSAAPKE-XJKSGUPXSA-N 315.398 2.560 0 40 DFAB COc1ccc([C@H](C)NCc2c(C)nn(C)c2N(C)C)cc1F 58379683 BAIWYFFTFPVJOX-NSHDSACASA-N 320.412 2.793 0 40 DFAB Cc1ccc(NC(=O)Cn2cccn2)c(OCC(F)(F)F)c1 58427186 WTEMMIKGIJXQNE-UHFFFAOYSA-N 313.279 2.771 0 40 DFAB Cc1c(C(=O)NN2CCOCC2)oc2c1ccc1ccccc12 3374856 HPOSIHYTEDQDFU-UHFFFAOYSA-N 310.353 2.871 0 40 DFAB Cc1cc2occ(CC(=O)O[C@@H](C)C(N)=O)c2cc1C(C)C 28874540 XCYSIFKWOHQADB-NSHDSACASA-N 303.358 2.824 0 40 DFAB COC(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)nn1 48237949 LPYSENXZJDXPOO-CQSZACIVSA-N 301.321 2.744 0 40 DFAB CCCSCC(=O)N(C)CC(=O)Nc1cc(C)ccc1C 48368968 PKSXTIACXLOFJF-UHFFFAOYSA-N 308.447 2.844 0 40 DFAB CC(C)(C)c1noc(COc2ccc(Cl)cc2C(N)=O)n1 12851377 WOTXEPGYEBLZEL-UHFFFAOYSA-N 309.753 2.698 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2nc(C)n3c2CCCC3)C12CCC2 81835592 OBNSACMIQJCURO-CABCVRRESA-N 317.433 2.605 0 40 DFAB O=C(Nc1ccc2[nH]ncc2c1)c1cc2ccccc2oc1=O 13320101 XDSOYBMZIHUQQF-UHFFFAOYSA-N 305.293 2.922 0 40 DFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCCC3)no2)c1 3908348 FFPCVOOZTFERCV-UHFFFAOYSA-N 316.357 2.985 0 40 DFAB Cc1cccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(NC(N)=O)c2)c1 69384419 CHRUKQGDGBXMFN-IRXDYDNUSA-N 323.396 2.906 0 40 DFAB Cc1cnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1 13624945 SOHAVTGDAPEWJG-UHFFFAOYSA-N 316.338 2.575 0 40 DFAB biogenic C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 5118882 OEZWOEBUQIRUBJ-GFCCVEGCSA-N 310.353 2.805 0 40 DFAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCCC2)o1 8404658 WALUALADGSJPHB-SNVBAGLBSA-N 307.375 2.741 0 40 DFAB CC[C@H](NC(=O)c1nc2nccc(C)n2n1)c1ccc(C)cc1 14085640 MHWMOZXWVNYBOZ-AWEZNQCLSA-N 309.373 2.622 0 40 DFAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(Cl)s1 65520760 KVSFOEAPGSNARW-NXEZZACHSA-N 303.811 2.602 0 40 DFAB CCCN1CCN(CC(=O)N[C@H](C)c2cccc(Cl)c2)CC1 22876426 KAAOVTYXXDMNGZ-CQSZACIVSA-N 323.868 2.545 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@@H](C)O1 14118435 IBPYXJARWXWRCT-DTORHVGOSA-N 316.170 2.838 0 40 DFAB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3ccccn3)o2)N1 408987916 BZJQLDAQLSTION-UFBFGSQYSA-N 308.384 2.614 0 40 DFAB O=C(NCc1ccoc1)[C@@H](c1ccccc1)N1CCSCC1 65610995 LUUYCZCPPVJGAG-MRXNPFEDSA-N 316.426 2.686 0 40 DFAB O=C(c1cn2cccnc2n1)N1CCCC[C@H]1Cc1ccccc1 69519204 BYQACIANHSNOFC-INIZCTEOSA-N 320.396 2.967 0 40 DFAB c1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)cc1 5595112 KFSYMVJSRNLMDL-UHFFFAOYSA-N 319.372 2.514 0 40 DFAB CCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2ccccc21 5686892 BLFAILJXIZNLSM-UHFFFAOYSA-N 308.337 2.979 0 40 DFAB Cn1c(CNC(=O)c2occc2-c2ccccc2)n[nH]c1=S 66625409 ZBCPPTCFBCMMPK-UHFFFAOYSA-N 314.370 2.668 0 40 DFAB CC(C)Cc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 8751438 MNMBHADOFRGJTN-KRWDZBQOSA-N 310.397 2.842 0 40 DFAB Cc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)no1 27982309 UTSZVFPTGCVIFE-UHFFFAOYSA-N 306.709 2.727 0 40 DFAB COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1 7264939 KXNSWZKGWQLYDX-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB Cc1noc(C)c1CNC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 67762879 WPOXIQWGAOIRTN-SJKOYZFVSA-N 322.453 2.601 0 40 DFAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccc(F)c(F)c1 7492373 ZVEISQRVLZKNGP-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB O=C(NCC(F)(F)F)c1cc(F)ccc1Br 19423924 IBVWJWLVOMTMRE-UHFFFAOYSA-N 300.049 2.880 0 40 DFAB CO[C@@H](C(=O)N[C@H](c1nccc(C)n1)C1CC1)c1ccccc1 96004029 FEWXOUSFZQGPBK-JKSUJKDBSA-N 311.385 2.740 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2cn(C)c3ccccc23)cn1 71796962 KVLCJLOIOJNWGB-INIZCTEOSA-N 308.385 2.889 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)[nH]n1 96417250 LFBJKCLXEOPFNS-LBPRGKRZSA-N 318.352 2.700 0 40 DFAB COC(=O)c1cc(NC(=O)CCc2cscn2)ccc1C 96445169 AHNHKWHDKCBPRO-UHFFFAOYSA-N 304.371 2.809 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnccc2C)cc1 71857616 GJXXSBCESAKTHT-CYBMUJFWSA-N 311.385 2.768 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccccn2)CC1 71824363 JHXDHIPMAZNRED-RBUKOAKNSA-N 321.424 2.530 0 40 DFAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc2cn[nH]c12 71889206 RTPCWPGSTHUTDY-UHFFFAOYSA-N 321.340 2.559 0 40 DFAB COc1ccc(NC(=O)c2ccoc2C)c(C(=O)NC2CC2)c1 71883078 STCFVEPDTRVEJY-UHFFFAOYSA-N 314.341 2.741 0 40 DFAB CC[C@H]1CN(C(=O)C2(c3ccccc3OC)CC2)C[C@H]1N(C)C 89948336 SYOMHJYMOYFSFD-GOEBONIOSA-N 316.445 2.525 0 40 DFAB CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc2c(c1)OCCCO2 97038357 WOTWQMNINMXALL-ZDUSSCGKSA-N 320.433 2.661 0 40 DFAB CCOCCSc1nn2cc(-c3cccnc3)nc2s1 97082574 HNDPTTTWTSBUSY-UHFFFAOYSA-N 306.416 2.981 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2Cc2nnc(C3CC3)o2)no1 75581757 CFKGGEVTCULWFS-NSHDSACASA-N 303.366 2.791 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)NCCCOC1CCCC1 72281209 WOEULVPEKZBIDN-QGZVFWFLSA-N 320.433 2.677 0 40 DFAB Cc1nnc([C@H]2CCCN2C(=O)CCc2cccc(F)c2)o1 84291430 VMDQDSQGJULPOQ-CQSZACIVSA-N 303.337 2.813 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CCn1cccn1 97145619 SABJJLABRCJFPF-OAHLLOKOSA-N 313.401 2.518 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)c2cscn2)CC1 97143211 CJJZXYXCNFOBGZ-LLVKDONJSA-N 307.444 2.724 0 40 DFAB COc1ccc2c(ccn2CCNC(=O)COc2ccccc2)c1 72401781 VULTWTKLQZOTNJ-UHFFFAOYSA-N 324.380 2.845 0 40 DFAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCc2cc(F)cc(F)c21 84459424 UJTSYSFBSVVEHB-OAHLLOKOSA-N 319.282 2.997 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)COC4)C2)n[nH]1 76059989 VFODZTQGYXDEDC-CQSZACIVSA-N 311.385 2.768 0 40 DFAB CN1CCN(C[C@H](NC[C@@H]2CC=CCC2)c2ccccc2)CC1 95433967 OGIZMDDIMBLSEN-QUCCMNQESA-N 313.489 2.921 0 40 DFAB O=C(NCCC1Cc2ccccc2C1)NC[C@@H]1CCC[C@@H](O)C1 95440864 GIONECOUXMHCKZ-CRAIPNDOSA-N 316.445 2.642 0 40 DFAB CC(=O)c1ccc(F)cc1OC[C@@H](O)COc1ccccc1 95439061 SMFQKAIUAHWXOW-AWEZNQCLSA-N 304.317 2.847 0 40 DFAB CC(C)c1cc(C(=O)N2CCN3CCOc4cccc2c43)on1 95457964 FREJZKKBCPMLRJ-UHFFFAOYSA-N 313.357 2.657 0 40 DFAB COc1ccc(NC(=O)c2cc(OC)c3c(c2)OCO3)cc1 78546300 DBXWPHGLMYFAII-UHFFFAOYSA-N 301.298 2.685 0 40 DFAB CCCc1noc(CS[C@@H](C)C(=O)Nc2cc(C)no2)n1 78758388 DTMGJCFQBGOELN-VIFPVBQESA-N 310.379 2.579 0 40 DFAB COc1ccccc1C[C@H](C)N[C@@H]1CCCn2c(C)nnc21 95969042 DXEZNGYTLGTTMF-SWLSCSKDSA-N 300.406 2.651 0 40 DFAB CCCCCS(=O)(=O)N1CCC(C2CCOCC2)CC1 95940002 IEFDOFBKDTXBTH-UHFFFAOYSA-N 303.468 2.645 0 40 DFAB CCc1cc(NC(=O)CSc2nc3ccccc3[nH]2)[nH]n1 95981257 WTXVDRAOCHGHLQ-UHFFFAOYSA-N 301.375 2.579 0 40 DFAB CC(C)(C)[C@@H](NC1CCCCC1)c1nc(-c2nnc[nH]2)no1 95988497 FYOOITDFPSJDHX-NSHDSACASA-N 304.398 2.864 0 40 DFAB CCN(CC)C(=O)CN1CCc2c1cccc2C(F)(F)F 95940235 IZWBMFBYOZVZEJ-UHFFFAOYSA-N 300.324 2.936 0 40 DFAB COc1ccc(C)nc1NC(=O)c1cnn(-c2ccccc2)c1 78972529 RKEIXUNMKIDDDK-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CN(C(=O)c1ccc(F)c(Br)c1)c1ccnn1C 74959055 VPBNTXRVMCHFIN-UHFFFAOYSA-N 312.142 2.598 0 40 DFAB Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1 89605171 DSEXJQIKXHWOAN-UHFFFAOYSA-N 320.780 2.887 0 40 DFAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cn2)cn1C 75216247 NAKZZMDZEFAEMX-UHFFFAOYSA-N 307.737 2.503 0 40 DFAB COc1cccc(CCCNC(=O)COc2ccc(F)cc2)c1 66435665 SKNZNCSYBBSSLT-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB Cc1ccccc1C(=O)N1CCN(Cc2ccccc2)CCC1=O 72343220 WKYXEZHJIFVJAK-UHFFFAOYSA-N 322.408 2.870 0 40 DFAB CCOC(=O)C1=NN(c2cccc(Cl)c2C)[C@@](C)(C(=O)O)C1 71979669 STHLBMYEUVHTFO-OAHLLOKOSA-N 324.764 2.621 0 40 DFAB COc1ncc(CN2[C@@H](C)C[C@H](C(=O)O)C[C@H]2C)cc1Cl 530174503 KMQPYFJCBJXFBY-PEGIJTEDSA-N 312.797 2.817 0 40 DFAB COc1nccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 1544775329 REEBDVJMUJOIRW-UHFFFAOYSA-N 323.356 2.540 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 72359899 RDZLEYQYTDPMRN-CYBMUJFWSA-N 317.418 2.977 0 40 DFAB Cc1cc(N)nc(S[C@H](C)c2nnnn2C2CCCCC2)n1 188840653 XZEVOCFZNUOIEG-SNVBAGLBSA-N 319.438 2.712 0 40 DFAB Cc1n[nH]cc1CNCCC(=O)Nc1cccc(Cl)c1C 78394228 WNPWGXGCLXKRAY-UHFFFAOYSA-N 306.797 2.798 0 40 DFAB COc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C 74923489 UEGSHMAZCUUZMF-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)N(C)C 195574645 CUXZHJSEZAFGTG-NSHDSACASA-N 324.425 2.986 0 40 DFAB CCOc1c(I)cc(OC)cc1C=O 225273451 WHIQTIUAWKCAPQ-UHFFFAOYSA-N 306.099 2.511 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3C)cc1 46016397 SXHLESVMLYDCEZ-INIZCTEOSA-N 313.401 2.555 0 40 DFAB CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C 224673616 QUHUWBSFDOEXGZ-CYBMUJFWSA-N 308.397 2.868 0 40 DFAB C[C@H](NC(=O)Cn1ccc2ccccc21)c1nnc2ccccn12 96345390 VSMGBMYJWZBBHG-ZDUSSCGKSA-N 319.368 2.561 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)oc(C)c1C 96495136 BYCURBSHWQIXEP-GFCCVEGCSA-N 302.378 2.624 0 40 DFAB C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(CC(=N)O)[C@H](C)c1ccccc1 330389353 XYKGRZGVVZGXSV-VPWBDBDCSA-N 304.390 2.925 0 40 DFAB CCc1ncnc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 96255047 PPVXHPORJXIORM-UHFFFAOYSA-N 320.396 2.761 0 40 DFAB Cc1noc(C)c1C[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 96492721 RPIVBVGZULTJTK-FZMZJTMJSA-N 323.437 2.821 0 40 DFAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2c2ncccn2)n1 257220911 DMSYKFLJJDOANH-CQSZACIVSA-N 322.372 2.880 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)COc2ccccc2)ccn1 257315956 VDMYKALVDVPYGQ-INIZCTEOSA-N 311.385 2.866 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 252505866 OGDIXAHVHSKMKS-KJWYOANISA-N 308.466 2.558 0 40 DFAB Cc1ccccc1CN1CC2(CO[C@H](Cc3cncnc3)C2)C1 257261887 LJFJAHACCSRUJI-GOSISDBHSA-N 309.413 2.619 0 40 DFAB Cc1nn(C)c2nc([C@]3(C)CCCN(c4ccncn4)C3)ccc12 257279616 OHKBEVARHBOXCE-GOSISDBHSA-N 322.416 2.625 0 40 DFAB Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@H]3NCCCC[C@@H]32)cn1 257326516 WXLQYYDZXFYWRX-SQNIBIBYSA-N 324.428 2.518 0 40 DFAB c1cc2c(C[C@H]3CCCN(Cc4c[nH]cn4)CC3)nccn2c1 257249305 JHPOCFVXQZLPCR-HNNXBMFYSA-N 309.417 2.902 0 40 DFAB O=C(CCc1ccccc1F)N1CCC2(CC1)OCCS2 96120476 UVIWBZURXXYWES-UHFFFAOYSA-N 309.406 2.840 0 40 DFAB Cc1ccc(S(=O)(=O)CCC(=O)NC2CCCC2)c(C)c1 52613782 SUGSUJQRHWRKSW-UHFFFAOYSA-N 309.431 2.526 0 40 DFAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NC1CCCC1 67012482 BTMOKUKNQGPGBE-KRWDZBQOSA-N 315.461 2.793 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3cncn3)cc2)c1 69489300 ZFLXAFIZANLJSK-HUUCEWRRSA-N 310.405 2.512 0 40 DFAB Brc1cccc(-c2noc(Cn3ccnc3)n2)c1 65224633 WNTFVALTKGCBDD-UHFFFAOYSA-N 305.135 2.744 0 40 DFAB CCOC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C2CCCCC2)nc1 78260231 IHAVPYOCJGJOCJ-HZPDHXFCSA-N 318.417 2.778 0 40 DFAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccn1 96002955 QBAJNZIYDKVXHZ-NSHDSACASA-N 324.306 2.648 0 40 DFAB O=C([C@@H]1COc2ccccc21)N1CCC[C@H](c2ccncc2)C1 552033422 AONVCZJHBIGZCT-DOTOQJQBSA-N 308.381 2.964 0 40 DFAB Cc1ccc([S@](=O)C[C@@H](O)COCc2ccccc2)cc1 5574351 DUBGSNRWQRGYBH-KKSFZXQISA-N 304.411 2.680 0 40 DFAB CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)[C@@H]2C1 5029417 RXRGTWKBQFDKKQ-LTKVALIFSA-N 316.397 2.993 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1cccnc1Cl 5212866 WLRHGVVCAARTKM-UHFFFAOYSA-N 319.777 2.509 0 40 DFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C(F)(F)F 5296217 RDKYZAYJTVWVKR-NSHDSACASA-N 314.263 2.506 0 40 DFAB O=c1c(C/C=C/c2ccccc2)c(O)nc2n1CCCS2 13110463 ZLUPNWDYCDIBDP-XBXARRHUSA-N 300.383 2.701 0 40 DFAB CCc1nn2c(C)c(C(C)=O)nnc2c1-c1ccccc1OC 14164782 JCSHGNMYBMJIMD-UHFFFAOYSA-N 310.357 2.873 0 40 DFAB CN(CCNC(=O)COc1ccccc1Cl)c1ccccc1 16724270 DEOYPICWYWXIDI-UHFFFAOYSA-N 318.804 2.971 0 40 DFAB c1ccc(-c2noc([C@H]3CN(Cc4cccnc4)CCO3)n2)cc1 19374370 LXMGBVMJRLYKCO-MRXNPFEDSA-N 322.368 2.705 0 40 DFAB COCCC(=O)N1CCC(NC[C@H]2C(C)=CCC[C@H]2C)CC1 152629456 FBEBSJJPIZGNMH-WBVHZDCISA-N 308.466 2.596 0 40 DFAB Cc1cn2nc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)ccc2n1 1889019156 FWQGSMCNWLUINE-UHFFFAOYSA-N 318.340 2.680 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2coc(C)n2)cs1 2037838672 VDNUXQJVPPPFRE-ZDUSSCGKSA-N 306.391 2.735 0 40 DFAB CCc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1 4166853 VABBRVRRIFBDIE-UHFFFAOYSA-N 310.444 2.535 0 40 DFAB COc1ccc2o/c(=N\c3ccccc3F)c(C(N)=O)cc2c1 8556246 KQFIBAJRCZSBIH-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB O=C(Cc1ccccc1)N1CCC2(CC(Nc3ncccn3)C2)C1 108529523 CEJSVQAXWNNIDV-UHFFFAOYSA-N 322.412 2.512 0 40 DFAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)[C@@H]1CCOC1 585147893 GJZMTBXFXQHXBK-MNOVXSKESA-N 323.439 2.663 0 40 DFAB O=C(NC1CCN(c2ccc(C(F)(F)F)nc2)CC1)C1CC1 891744620 WVGGNSAYQQTPMF-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB CC(C)N(C(=O)[C@H]1COCCO1)c1ccc(F)cc1Cl 96410985 YUOWNAARBOYZML-CYBMUJFWSA-N 301.745 2.636 0 40 DFAB Cc1ccccc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1 40496759 HIKFEHKZPLVQGS-CQSZACIVSA-N 317.410 2.937 0 40 DFAB COc1ncccc1C(=O)NC1CCC(C(F)(F)F)CC1 40496250 VYMXNMRMXFAIKC-UHFFFAOYSA-N 302.296 2.941 0 40 DFAB O=C(NCCc1nccs1)N1CCC(n2cccc2)CC1 51338276 PEQGYYFHDUDHPZ-UHFFFAOYSA-N 304.419 2.534 0 40 DFAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCC1=CCCCC1 8129519 ARVOMVYAPHZDQT-UHFFFAOYSA-N 312.369 2.868 0 40 DFAB COC(=O)C1(OC(=O)Sc2ccccc2)CCN(C)CC1 1641823 AFEAKHPNRXBSOT-UHFFFAOYSA-N 309.387 2.553 0 40 DFAB O=C(c1cccc(F)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 4306801 KGOWKMTYMXZBNS-VBQJREDUSA-N 302.393 2.772 0 40 DFAB Cc1cnc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cn1 21195495 PORLQJGJVNCUNV-UHFFFAOYSA-N 311.370 2.864 0 40 DFAB CN1CCc2nc(NC(=O)c3ccc4c(c3)CCC4)sc2C1 32666237 QVLLYKWMMOCOTK-UHFFFAOYSA-N 313.426 2.872 0 40 DFAB C[C@H]1CCCCN1C(=O)COC(=O)c1cc(Cl)ccc1O 4808597 WLQCHCUPTOJNMQ-JTQLQIEISA-N 311.765 2.603 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1n[nH]c(=O)c2ccccc12 2642541 QASDESSQFKVZTF-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CCOC(=O)Nc1nnc(Sc2ncnc3[nH]ccc23)s1 69769593 LNWBDXMJLOTEDQ-UHFFFAOYSA-N 322.375 2.529 0 40 DFAB Cn1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1=O 69744553 GBBPUNPEPNMZCA-QGZVFWFLSA-N 314.360 2.796 0 40 DFAB CC(C)OC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 9329267 UCPQRMXSKNNDRC-ZDUSSCGKSA-N 305.374 2.778 0 40 DFAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 22193268 WIYAQHGVHKRJAU-QGZVFWFLSA-N 322.364 2.521 0 40 DFAB COCCC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1ccc(F)cc1 100113221 XEOKGPFIMLQSNR-NOLJZWGESA-N 307.365 2.621 0 40 DFAB CCCn1nnnc1C[S@@](=O)Cc1cccc2ccccc12 69350688 HASRFRZXUYQFCO-JOCHJYFZSA-N 314.414 2.685 0 40 DFAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](c2ccccc2)C1 22628837 LMUNSWWMQNNZLD-INIZCTEOSA-N 307.353 2.777 0 40 DFAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3ccccc3c1)CCO2 107720091 OEOHTQAKPGZOMM-KZNAEPCWSA-N 311.381 2.858 0 40 DFAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(C)n[nH]3)sc2c1 54176784 FMEJDAHAYJQKGO-UHFFFAOYSA-N 315.358 2.539 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N2CCC(C)CC2)cc1 54247726 OERWVIZEQMWSLA-UHFFFAOYSA-N 306.362 2.502 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 54247752 WZRDRFYJLSNPIZ-CHWSQXEVSA-N 320.389 2.748 0 40 DFAB CC(C)/C=C1/NC(=O)[C@@H](C(C)C)n2c1nc1ccccc1c2=O 100066540 RBFIISQAYNLQQY-AAWPKVBNSA-N 311.385 2.720 0 40 DFAB biogenic,in-vitro Cn1c(=S)c2nc(SC3CCCCC3)[nH]c2n(C)c1=O 101111084 OZGPMRFSNJYMGJ-UHFFFAOYSA-N 310.448 2.754 0 40 DFAB O=C(CCCNC(=O)NC1CCCCC1)NC1CCCCC1 24032394 ITHUTKVKEBESTO-UHFFFAOYSA-N 309.454 2.847 0 40 DFAB CCOc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)cc1OCC 27919369 BDJQOFMJLHNFFR-LBPRGKRZSA-N 317.389 2.709 0 40 DFAB CCCOc1c(Br)cc(C(=O)NC)cc1OCC 107553540 RHRUDPMUMSFZHC-UHFFFAOYSA-N 316.195 2.996 0 40 DFAB Oc1ccc(Cl)cc1C1=NO[C@@](O)(C(F)(F)C(F)F)C1 1409892 JHEOBXGCBPMZTL-SNVBAGLBSA-N 313.634 2.759 0 40 DFAB CC(=O)N[C@H](C(=O)N1C[C@H](c2ccsc2)C[C@@H]1C)C(C)C 106916075 NOMFLJCMUQHOCZ-GLQYFDAESA-N 308.447 2.613 0 40 DFAB O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCOCC1 59842910 JGRBPBDFIMOSGR-UHFFFAOYSA-N 308.337 2.967 0 40 DFAB CCO[C@H]1C[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1(C)C 89985617 QVEJEQFUXVVZIN-CVEARBPZSA-N 320.433 2.677 0 40 DFAB O=C(CC12C[C@@H]3C[C@H](C1)CC(C(=O)NC1CC1)(C3)C2)NC1CC1 56380540 MPGXBYDCJFHSKT-NFAYLAGKSA-N 316.445 2.520 0 40 DFAB C[C@@H](Sc1ncc2ccccn12)C(=O)NCc1ccco1 26372025 QPLFUWAYRKCXRO-LLVKDONJSA-N 301.371 2.724 0 40 DFAB COc1ccc(Br)c(C(=O)NCc2ccco2)c1 3283845 RZYXXNCBJRLNHF-UHFFFAOYSA-N 310.147 2.981 0 40 DFAB CCOc1c(Br)cc(Br)cc1C(N)=O 57332008 HADVNFAJKVLFSP-UHFFFAOYSA-N 322.984 2.709 0 40 DFAB COc1ccccc1[C@@H](NC(=O)CC(C)C)c1nccn1C 44890333 PIVHLROOHQKRIJ-MRXNPFEDSA-N 301.390 2.680 0 40 DFAB CC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2108584 LNIBEDZBSAHJSQ-GHMZBOCLSA-N 313.357 2.967 0 40 DFAB biogenic Cc1csc(NC(=O)CCNC(=O)OCc2ccccc2)n1 36390883 PXOZRVFBGYVZKZ-UHFFFAOYSA-N 319.386 2.707 0 40 DFAB C[C@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1 22168076 NOVVOAJSVRVRGX-UHIISALHSA-N 313.239 2.558 0 40 DFAB CCCCOc1ccc([C@@H](C)CNc2ncnc(N)n2)cc1 27532747 BSTZOADKBJVHJC-LBPRGKRZSA-N 301.394 2.848 0 40 DFAB C[C@H]1CCCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 48274525 FNOFOBIFABKVAR-ZDUSSCGKSA-N 323.400 2.753 0 40 DFAB Cc1ccsc1CNC(=O)NCc1ccnc(N(C)C)c1 48231984 SPNUFBXBZKSUEK-UHFFFAOYSA-N 304.419 2.517 0 40 DFAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@H](C)CC(C)C)cnc12 12951959 WPLPTHXCLNVGJZ-CQSZACIVSA-N 315.417 2.598 0 40 DFAB COC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2F)s1 13019278 BRBRDNKGUHTIPH-UHFFFAOYSA-N 314.725 2.975 0 40 DFAB O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13552855 ZBCXXUANVRZCON-UHFFFAOYSA-N 308.366 2.788 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@H](Cn2cncn2)C1 69652434 ZJNYXILYITYRBD-INIZCTEOSA-N 314.433 2.978 0 40 DFAB COc1cccc(CS[C@@H](C)C(=O)NC(=O)NC(C)C)c1 64375908 RFNJTVINYMYCKK-NSHDSACASA-N 310.419 2.551 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 6064272 GKNVXYDBKIHFNY-BETUJISGSA-N 304.390 2.813 0 40 DFAB Cn1cc([C@@]2(C)CN(Cc3ccc(O)c(Cl)c3)CCO2)cn1 92016404 MVCKNBHZIDBSEO-MRXNPFEDSA-N 321.808 2.527 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)nc2)C1 69869611 OEJOTKANVMZMHQ-NSHDSACASA-N 323.824 2.958 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1Cn1cccn1 69971013 LFFZCUOAGYNUIM-OAHLLOKOSA-N 316.405 2.502 0 40 DFAB CCn1c(-c2ccccc2C)nn(CN2CCOCC2)c1=S 14198048 IVDVKZFQESHQIN-UHFFFAOYSA-N 318.446 2.699 0 40 DFAB O=C(CCNC(=O)c1ccccc1Cl)NC1CCCCC1 5557921 BFQWQCIHYWDUJI-UHFFFAOYSA-N 308.809 2.909 0 40 DFAB CCN(CCCNc1ncnc2nc(N)ccc12)c1ccccc1 90068440 BGZAMOPPKJPNST-UHFFFAOYSA-N 322.416 2.936 0 40 DFAB COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1 7407643 AVDGTCFUASWAJZ-UHFFFAOYSA-N 316.332 2.545 0 40 DFAB Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1C1CC1 7575271 LNESDHLXFZWQOH-UHFFFAOYSA-N 316.357 2.506 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 7627958 RAHIMPUFXOPBKF-ZDUSSCGKSA-N 316.401 2.623 0 40 DFAB Cc1cc(NC(=O)NCC2(C)Cc3ccccc3C2)c[nH]c1=O 93093391 AYQJYPJVFNOZGS-UHFFFAOYSA-N 311.385 2.610 0 40 DFAB CCc1cccc(OCC(=O)Nc2ccc(C(=O)NC)cc2)c1 8033780 DNZXQHFHVGZZSQ-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB COc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 9484567 RJQMVKAZZNDTOC-INIZCTEOSA-N 314.385 2.855 0 40 DFAB CN(Cc1ccco1)C(=O)CNC(=O)c1ccc2ccccc2c1 9496002 NPTMBSQMMAHVLY-UHFFFAOYSA-N 322.364 2.821 0 40 DFAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCC(=O)N2)o1 96417131 XESYUQPOUXHECA-UONOGXRCSA-N 304.390 2.564 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccno1 71893083 YAMPLFUBTRLXIP-GXTWGEPZSA-N 309.410 2.942 0 40 DFAB Cn1cc(C(=O)N(Cc2ccccc2)c2ccncc2)ccc1=O 97049481 DGMBZRSWLMQOSH-UHFFFAOYSA-N 319.364 2.627 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72298817 ZJAMLJVHROLHPO-QWHCGFSZSA-N 304.419 2.615 0 40 DFAB Cc1cc(CC(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)no1 72527119 ACTDETFEXABZFL-INIZCTEOSA-N 322.368 2.553 0 40 DFAB O=C1[C@H](N2CCCc3sccc3C2)CCN1CC(F)(F)F 95395064 FSAUSVURMNUMGU-LLVKDONJSA-N 318.364 2.660 0 40 DFAB NC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 95393277 BYPJVFIAFDIKPC-NEPJUHHUSA-N 320.801 2.786 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)C[C@@H](C)c1ccccc1OC)C(=O)O 95424773 UHOARNDMTODHPN-HWWQOWPSSA-N 307.390 2.804 0 40 DFAB CC(C)(C)c1ncsc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 95447864 IGYKLPVGNJNNHQ-STQMWFEESA-N 316.426 2.829 0 40 DFAB COCCn1ccc2c(NC(=O)c3[nH]nc4c3CCC4)cccc21 95480448 DMWLOFRWMHBCMJ-UHFFFAOYSA-N 324.384 2.752 0 40 DFAB O=C(C1=COCC1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95434198 NKLRMPRMVVEUFV-GJZGRUSLSA-N 305.374 2.779 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(-c3nncn3C)cn2)c(C)c1 95453923 RWQAWYGVZLIFQD-UHFFFAOYSA-N 307.357 2.746 0 40 DFAB CCOc1cccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)c1 78898544 IVCKFPQFBFIYOB-KDOFPFPSSA-N 316.445 2.822 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC[C@H](c2cn[nH]c2)C1 95941119 VMXOTDCOHXNTNE-ZDUSSCGKSA-N 314.389 2.754 0 40 DFAB O=C(N[C@H]1CC=CCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 78980288 HBXZEOSQUPGNNU-RDJZCZTQSA-N 322.449 2.855 0 40 DFAB CCc1ccc(Cl)c(CC)c1NS(=O)(=O)CCOC 95943005 AWXLZIRDOLEASX-UHFFFAOYSA-N 305.827 2.853 0 40 DFAB CSCCCNC(=O)NCCc1ccc(Br)o1 89493723 XDAKOLDDWVQENT-UHFFFAOYSA-N 321.240 2.637 0 40 DFAB Cc1[nH]ncc1C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 89544380 WFROQYDYDFHRRQ-INIZCTEOSA-N 319.380 2.689 0 40 DFAB O=C(Cc1ccc[nH]1)Nc1ccc(NC(=O)c2ccccc2)nc1 89573183 GYCKGFXUUNCNFR-UHFFFAOYSA-N 320.352 2.843 0 40 DFAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(=O)[nH]1 75118460 IZCPFYYNUSNQHL-UHFFFAOYSA-N 322.364 2.645 0 40 DFAB COC(=O)COc1cccc(NC(=O)Cc2ccccc2C)c1 24950750 BPOQFEGUPHNZDK-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 21093255 BFVKFMAYSNOBPY-UHFFFAOYSA-N 314.366 2.861 0 40 DFAB Cc1nc(SCC(=O)NCc2ccccc2)nc2c1CCC2 408546519 KNPWLBVYDMETOI-UHFFFAOYSA-N 313.426 2.682 0 40 DFAB CCN(C)CCNC(=O)c1sc(-c2ccccc2)nc1C 65403847 GEORJFLMNVJYIE-UHFFFAOYSA-N 303.431 2.800 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(OC)cc1)CC(C)C 31705904 OPYACFYMWYWHQF-CQSZACIVSA-N 322.405 2.586 0 40 DFAB O=C(Cc1noc(COc2ccccc2)n1)NC1CCCCC1 78773414 JYPKZUWBOIUFSY-UHFFFAOYSA-N 315.373 2.640 0 40 DFAB COc1cccc2c1N(S(=O)(=O)c1cccc(F)c1)CCC2 31533769 DJEMMYREXCVSDF-UHFFFAOYSA-N 321.373 2.976 0 40 DFAB O=S(=O)(c1ccc(NCc2ccccn2)cc1)C(F)(F)F 35233190 ZSBLEMWEGGSWLA-UHFFFAOYSA-N 316.304 2.987 0 40 DFAB CC[C@@H](C)C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 72390194 FAPDDGYSUJJFHW-CYBMUJFWSA-N 304.438 2.757 0 40 DFAB COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)c1 72227751 UIHPIQIYRYEZAA-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB COC(=O)[C@H]1C[C@@H]1C(=O)NC(c1cccs1)c1cccs1 78188897 GHXDTAAMIPKTTC-UWVGGRQHSA-N 321.423 2.824 0 40 DFAB Cc1noc([C@H](NC(=O)c2ccc(O)c(Cl)c2)C(C)C)n1 78988877 JBFMOFGAKWPHDV-GFCCVEGCSA-N 309.753 2.864 0 40 DFAB COC(=O)c1ccc(CCNC(=O)[C@H](C)c2ccsc2)cc1 78053331 YEKSSOVXIKHMDT-GFCCVEGCSA-N 317.410 2.997 0 40 DFAB CCS(=O)(=O)C[C@H](C)N[C@@H]1CC[C@@](C)(c2ccccc2)C1 188196458 ZZNDKQCHTMSQFU-USXIJHARSA-N 309.475 2.910 0 40 DFAB CC(C)c1nnc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)n1C 189911645 ZCNRPMARAOVYCO-AWEZNQCLSA-N 324.432 2.975 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)n1)c1cccc(F)c1 224206055 BATDUBCIPYWTHR-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB O=C(/C=C/c1cccs1)N1CCC[C@@H](Oc2cccnn2)C1 225452411 GWGKUBFAASVGKO-SBDDDAINSA-N 315.398 2.621 0 40 DFAB CC(C)(C)Sc1cc(CNC(=O)C2CCNCC2)ccn1 195555131 FEOWAPJQXVAVDI-UHFFFAOYSA-N 307.463 2.588 0 40 DFAB Cc1nn(C)c2[nH]nc(NC(=O)Cc3ccc(Cl)s3)c12 225766892 ONHPXRYMIRTQRF-UHFFFAOYSA-N 309.782 2.501 0 40 DFAB CN(C)C(=O)c1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225324842 MTRVLIPQGIWVEE-UXIGCNINSA-N 317.458 2.863 0 40 DFAB O=c1[nH]c(CNc2ccccc2)nn1C/C=C/c1ccccc1 40288300 DXEUIMZNNSZSTA-JXMROGBWSA-N 306.369 2.897 0 40 DFAB COc1cc(Br)c(Br)cc1C(=O)O 45957507 OQSYTVKJQSRKQW-UHFFFAOYSA-N 309.941 2.918 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CSc2ccccc21 80624259 GYHDPEZHTALALZ-BFYDXBDKSA-N 311.406 2.650 0 40 DFAB CC1(C)CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)C1(C)C 195561153 SHTHPVRAKUZBQA-ZDUSSCGKSA-N 304.390 2.510 0 40 DFAB COc1ccc(C[C@H](Oc2cccc(OC)c2)C(=O)O)cc1 225102453 NTWPQICHPXNBJS-INIZCTEOSA-N 302.326 2.779 0 40 DFAB O=C(N[C@@H]1CC=CCC1)N1CCC[C@@](O)(C(F)(F)F)CC1 332289989 JJCBPNHFUCWVBS-YPMHNXCESA-N 306.328 2.584 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@H](C)COCC(C)C)c2)no1 96422325 KYVXJTFNMSSQOR-GFCCVEGCSA-N 317.389 2.836 0 40 DFAB C[C@H]1CCN(c2ccc(NC(=O)N3CCC[C@@H]3CO)cc2)C1 96411507 NOMLDIUPSNGLTC-XJKSGUPXSA-N 303.406 2.521 0 40 DFAB CC(C)N(CCc1nccs1)C(=O)Cc1ccccc1O 96486100 DIIVRQWKBGRWEJ-UHFFFAOYSA-N 304.415 2.871 0 40 DFAB Cc1nc(C(=O)OCCNc2ncnc3ccccc23)cs1 96447588 OPCLEOBHPGFLFN-UHFFFAOYSA-N 314.370 2.664 0 40 DFAB Cc1[nH]ncc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 96456438 UWFHRAONVAQZNW-INIZCTEOSA-N 313.401 2.582 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4ccco4)C[C@@H]3C2)c1 96053847 GEQMYQMFNMOKHV-HOTGVXAUSA-N 300.377 2.983 0 40 DFAB c1cncc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)c1 96073221 DEMQCRZRJDBLFO-KRWDZBQOSA-N 302.418 2.884 0 40 DFAB CC(=O)N1CCN(Cc2cncs2)[C@@H](c2ccccc2)C1 257281548 OPSLOUYZPXIYAS-MRXNPFEDSA-N 301.415 2.549 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@]1(O)CCc2ccccc2C1 85559782 GACYCXHSUSJYHA-CTDFXDFQSA-N 307.393 2.736 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCCc2occc21)C1=CCN(C)CC1 272864954 VSAUPIDHWUSCSD-WFASDCNBSA-N 303.406 2.607 0 40 DFAB COc1cncc(S(=O)(=O)N2c3ccccc3CC2(C)C)c1 585124167 IHMMGCZIGDDPQW-UHFFFAOYSA-N 318.398 2.620 0 40 DFAB CCOC(=O)C1(NC(=O)c2cc3ccccc3[nH]2)CCCC1 56367627 MXGPCKASKOTNKR-UHFFFAOYSA-N 300.358 2.774 0 40 DFAB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1 69462938 ZMGIPUSOYAOKML-ZDUSSCGKSA-N 323.396 2.893 0 40 DFAB O=C1CN(Cc2ccccc2)[C@H](c2cccc(-n3cccn3)c2)N1 95414454 DLMFRWJDWHUCKX-LJQANCHMSA-N 318.380 2.503 0 40 DFAB CCc1ccc(S(=O)(=O)NCCCc2cc(C)no2)s1 245039111 OFOCODPADIPWMI-UHFFFAOYSA-N 314.432 2.518 0 40 DFAB C[C@]12C[C@](O)(C(=O)O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 5029316 FKKWIOKUFAJYAL-PTXZMSDUSA-N 322.445 2.816 0 40 DFAB COc1cccc(NC(=O)COc2cc(C)ccc2C(=O)O)c1 13084366 GQOZSMJJWNZKCC-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB Cc1ccc(NC(=O)n2cccn2)cc1NC(=O)n1cccn1 16347653 ZWLALMORFHTTNI-UHFFFAOYSA-N 310.317 2.548 0 40 DFAB O=C(N[C@@H](Cc1cccs1)c1nccs1)[C@H]1CCOC1 19343268 OKZQMYSBVMAYDJ-JQWIXIFHSA-N 308.428 2.641 0 40 DFAB NC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 7690232 BLLLRHSOQNPQGP-UHFFFAOYSA-N 320.142 2.767 0 40 DFAB NC1=C(c2nc3ccccc3s2)CC(=O)N1Cc1ccco1 4979937 KVNQSYIBIDNZRN-UHFFFAOYSA-N 311.366 2.949 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc(C)cs2)cc1 6479684 ZYIKBLZCQHYEMS-VMPITWQZSA-N 302.355 2.890 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)nn1C 12443126 ULUPQIKVXUGZOC-UHFFFAOYSA-N 323.312 2.777 0 40 DFAB COc1cc(OC)c(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)cc1OC 15079931 WSIQRYUXFHSGRV-FRRDWIJNSA-N 317.385 2.654 0 40 DFAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1ccccn1 23127200 JCTGGFNIACDIKR-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB COc1ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1 504234 KNEZOBAWQIUJDD-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 516672 LGWZELGCTXLYOE-UHFFFAOYSA-N 312.369 2.926 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nccs1 559879 AACHTFWESVFYQE-UHFFFAOYSA-N 311.819 2.852 0 40 DFAB Cc1nc(NC(=O)CCN2Cc3ccccc3C2=O)sc1C 20727268 FNZBHCFHUFSTGK-UHFFFAOYSA-N 315.398 2.745 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 20732161 SIWWPBAPGIXOCA-WMLDXEAASA-N 309.369 2.548 0 40 DFAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(O)cc1)CC(O)=N2 20745861 DWTDKDADDZOYDB-CYBMUJFWSA-N 321.340 2.800 0 40 DFAB CCCSc1nc2c(N)nc(-c3ccccc3)nc2nc1N 1563394 RNNXQEBTTGMDHO-UHFFFAOYSA-N 312.402 2.753 0 40 DFAB CC(=O)c1cccc(OCC(=O)NCc2ccccc2F)c1 3342329 SOKACPVYIHQPNO-UHFFFAOYSA-N 301.317 2.724 0 40 DFAB COc1cc(CCC(=O)NCc2ccco2)cc(OC)c1OC 3479118 BGOPTVACWDKBFD-UHFFFAOYSA-N 319.357 2.554 0 40 DFAB C[C@@H](NC(=O)c1cncn1-c1ccc(F)cc1)c1ccncc1 32719604 LRFWVTZHEFYIOA-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB COc1cccc(NC(=O)C(=O)NCCC2CCCCC2)c1 8167680 IUMRXPHQGDQWFY-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB CCc1nc2ccccc2n1Cc1cc(=O)n2cc(C)ccc2n1 2626762 RCBIEOZPGBFQBI-UHFFFAOYSA-N 318.380 2.963 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccccc3)cn2)n1 32833019 NSNNERHLDLQWNC-UHFFFAOYSA-N 320.396 2.857 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](O)c1ccc(F)cc1 32912601 IGSILLHWRGJZDV-AWEZNQCLSA-N 304.321 2.689 0 40 DFAB COc1ccc(OC)c(CNc2nnc3n2CCCCC3)c1 8472800 UDBLUJAJXUKHGD-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB O=S(=O)(N[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl 8377199 MJNXOCKCCAWZEG-WDEREUQCSA-N 324.229 2.575 0 40 DFAB Cc1ccoc1C(=O)N(C)Cc1ccccc1N1CCOCC1 21962869 AQZWQRNXHGALBJ-UHFFFAOYSA-N 314.385 2.697 0 40 DFAB CC[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 534305 UMRFWQPCLPWDMJ-GJZGRUSLSA-N 304.390 2.656 0 40 DFAB O=C(/C=C/c1cccc2cccnc12)N[C@H]1CCN2CCCC[C@H]12 89807952 NJCHASFWKXDGDF-GBXWSJCFSA-N 321.424 2.991 0 40 DFAB O=C([C@@H]1SCCc2sccc21)N1CC[C@@]2(CCOC2)C1 89885352 MPRDJYVOGBZGNK-UKRRQHHQSA-N 309.456 2.718 0 40 DFAB O=C(NC[C@H]1CCCCN1C(=O)C1CCC1)c1ccccc1 89823031 PJJACGYFCJDHKW-MRXNPFEDSA-N 300.402 2.598 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12323203 GMEPCZQTRCLLDY-OAHLLOKOSA-N 306.369 2.749 0 40 DFAB COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc32)cc1O 896220 FVEMXQCEJGGXJB-CQSZACIVSA-N 315.369 2.545 0 40 DFAB biogenic,in-vitro O=C(NCC1CC1)c1cnc2c(cnn2Cc2ccccc2)c1 22972155 XCIOQQRLMDLMTP-UHFFFAOYSA-N 306.369 2.619 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 58377823 AYZHJNIJFWCNHK-CYBMUJFWSA-N 319.405 2.976 0 40 DFAB c1cncc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107752008 FNQHSACBUWAPRU-MOPGFXCFSA-N 316.445 2.879 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)cn1 43145034 BUFFEKHGKMRDLI-AWEZNQCLSA-N 318.446 2.554 0 40 DFAB Cc1cc(C)c2nc(S[C@@H](C)C(=O)NC(N)=O)cc(C)c2c1 12532419 XVNZNKMHROEFLD-NSHDSACASA-N 317.414 2.836 0 40 DFAB Cc1cc(C)c(C(=O)COC(=O)c2cnn3cccnc23)cc1C 43524919 SBOMFRLGOSSNIW-UHFFFAOYSA-N 323.352 2.694 0 40 DFAB Nc1nc2nc(-c3ccccc3)nc(N)c2nc1-c1ccccc1 1681700 HKWVVUASDSJLET-UHFFFAOYSA-N 314.352 2.918 0 40 DFAB CC(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3290544 KVBHQEXLHJUGEC-UHFFFAOYSA-N 304.173 2.604 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 57237524 BDWANQRDQMJGIL-LBPRGKRZSA-N 305.403 2.697 0 40 DFAB COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1N 57340491 HNQBALYIXWPSDS-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](CO)Cc1ccccc1 57855347 NMGIJHVEIVGHMG-XJKSGUPXSA-N 318.442 2.582 0 40 DFAB CCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10134649 ZLCOZQWGQPTJOV-UHFFFAOYSA-N 310.401 2.958 0 40 DFAB Cc1cnc(SCc2nnnn2-c2c(C)cccc2C)nc1 58160902 YQDYALVSQDSIPQ-UHFFFAOYSA-N 312.402 2.670 0 40 DFAB Cc1ccc2c(CCNC[C@H]3CNc4ccnn4C3)c[nH]c2c1 58328962 HVIAVLDSOKEYJJ-AWEZNQCLSA-N 309.417 2.547 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](NC[C@@H]1CNc3ccnn3C1)CCO2 58300245 OJDVQOHIBGLKIS-ZBFHGGJFSA-N 312.417 2.655 0 40 DFAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCO2 28078241 JTPWACOSVIXDEA-LLVKDONJSA-N 321.402 2.698 0 40 DFAB CCN(CC)C(=O)CSc1nnc2sc3ccccc3n12 3495592 ODULINBJVSVLPK-UHFFFAOYSA-N 320.443 2.905 0 40 DFAB Cc1ccc(NC(=O)CCC(C)C)cc1S(=O)(=O)N(C)C 12996576 CNDSXFNFXITLJN-UHFFFAOYSA-N 312.435 2.620 0 40 DFAB O=C1C[C@@H](C(=O)N[C@H]2CCOc3ccccc32)c2ccccc2N1 12919534 CENLDNJXBUDLMB-ZBFHGGJFSA-N 322.364 2.752 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccc(O)c2)cc1 12914021 UUUXBXYOGFUPSU-CYBMUJFWSA-N 313.353 2.562 0 40 DFAB COc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1 12940643 TVYIOLVQYSUVSE-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB C[C@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1 13127126 CXCQJULFABDADJ-AAEUAGOBSA-N 323.356 2.917 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1 69529942 RVVQLHQCDQRRTD-AWEZNQCLSA-N 305.280 2.609 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc(C)n1-c1ccccc1 6109238 MJTJUCRZTLTKEB-NSHDSACASA-N 304.419 2.583 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](c2c[nH]c3ccccc23)N1 65166674 LOLKXGYKPBOFBT-OAHLLOKOSA-N 302.341 2.614 0 40 DFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 6231675 PXENSHNFONLUII-JTQLQIEISA-N 303.289 2.960 0 40 DFAB CCOc1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 65476306 NNCREFPNCRALIE-DOTOQJQBSA-N 312.369 2.865 0 40 DFAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(O)cc1O 6465723 CZFAHKOJYMZNRB-UHFFFAOYSA-N 318.716 2.756 0 40 DFAB COc1ccc(-c2nonc2NC(=O)Cc2ccccc2)cc1 5483718 ZVXDQYIVNVYLGV-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB biogenic CNC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 14406353 XRGRJSPBDYKQDF-HNNXBMFYSA-N 312.394 2.702 0 40 DFAB Cc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C1CC1 7030639 YJMBOHOITJWGCH-INIZCTEOSA-N 320.400 2.886 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc(CC(C)C)cc2)no1 7442194 UPRHHPQALJWZLN-UHFFFAOYSA-N 316.357 2.977 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1 15940821 OPKAVOUYQIMVQQ-INIZCTEOSA-N 323.396 2.686 0 40 DFAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C)on2)C1=O 7823847 QNYCFHZVRQAXFZ-QGZVFWFLSA-N 313.357 2.730 0 40 DFAB CCc1nnc(NC(=O)COc2cccc3cccnc23)s1 8038116 PVTMBDSULQFNDG-UHFFFAOYSA-N 314.370 2.666 0 40 DFAB Fc1ccc(-c2ccn(CN3CCN(CC4CC4)CC3)n2)cc1 71799438 ABOHZTSSTAXGAE-UHFFFAOYSA-N 314.408 2.674 0 40 DFAB CC(=O)N[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 96489765 TZCNISDLDKQDIW-CYBMUJFWSA-N 316.323 2.686 0 40 DFAB COc1ccc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)cc1 71864960 PJJKLVZRKJOLDU-MRXNPFEDSA-N 313.401 2.516 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)C1 71825590 SSDYBMWSPLOZJC-NSHDSACASA-N 307.419 2.584 0 40 DFAB CN(Cc1nc2ccccc2n1C)C(=O)c1cccnc1Cl 71896775 XKRDFDIYUKKIJP-UHFFFAOYSA-N 314.776 2.894 0 40 DFAB CC(C)CCNC(=O)Cc1csc(NC(=O)c2ccco2)n1 9659371 SGABQGUFJKNAEX-UHFFFAOYSA-N 321.402 2.693 0 40 DFAB COCc1ccc(C(=O)N(C)CCOc2cccc(C)c2)o1 96989765 SEFKRTKHFLFZPT-UHFFFAOYSA-N 303.358 2.885 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n[nH]1 76060077 APJZVMJOFTVYOH-HUUCEWRRSA-N 305.422 2.773 0 40 DFAB c1csc(N2CCC(N[C@@H]3CCC[C@H]4OCC[C@H]34)CC2)n1 97081079 IWFHTYSIJNBEBC-RBSFLKMASA-N 307.463 2.659 0 40 DFAB CN[C@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 97019923 AGURDDXAXUZWOC-ZDUSSCGKSA-N 302.340 2.812 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2cnn(C)c2)[C@H](C)CO1 97109211 QFHVJUVEEKCXHH-CJNGLKHVSA-N 314.389 2.722 0 40 DFAB CCN(Cc1ccc(OC)cc1)C(=O)CN1CCC(C)CC1 97286772 MTYCOWVJWGPFLK-UHFFFAOYSA-N 304.434 2.776 0 40 DFAB Cn1cc(C2CCN(C[C@@H](O)c3cc(F)ccc3F)CC2)cn1 97202903 PXWRFDODYYJCKF-QGZVFWFLSA-N 321.371 2.611 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1sc(C)nc1C 76556268 KXGVYKSHOVUPOU-LBPRGKRZSA-N 323.418 2.635 0 40 DFAB O=C(NCCC1CC1)N1CCC(OC[C@H]2CCCCO2)CC1 78336285 RLPKMOOLOLSUBI-MRXNPFEDSA-N 310.438 2.546 0 40 DFAB COc1cccc([C@@H](O)C(=O)N[C@@H](C)c2ccc(C)s2)c1 95450255 ODJNFMSGICMLRK-XHDPSFHLSA-N 305.399 2.976 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2sc(C)nc2C)C2CC2)n1 95450844 TZZIRYYTCREASW-LBPRGKRZSA-N 302.403 2.739 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccncc1 95977508 FWRBSUQUTKTSAA-ZDUSSCGKSA-N 309.728 2.729 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2cnn(C)c2)C1 74474933 CXRIBJJGNDIJFJ-GXTWGEPZSA-N 310.467 2.798 0 40 DFAB CC(C)[C@H]1NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O 21702127 HGZYWZULSLEHOH-CYBMUJFWSA-N 310.781 2.685 0 40 DFAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306133157 MDRQKORKRVODSN-OAHLLOKOSA-N 318.417 2.514 0 40 DFAB CCOc1cc(C)c([C@H]2CC(=O)N=C3NC=NN32)cc1C(C)C 38191147 ATBQLVGDARUFCA-CQSZACIVSA-N 314.389 2.693 0 40 DFAB CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCOc3ccccc32)CCN1C 521396384 SUEPTKOBVXWPSJ-ARFHVFGLSA-N 302.418 2.747 0 40 DFAB Cn1ccnc1CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 181287004 LOZMETUXUFVINY-OAHLLOKOSA-N 322.416 2.585 0 40 DFAB CC[C@@H](OC[C@H](O)CN(C)C)c1ccc(Br)cc1 72210034 LNXNUAULYINQFB-ZIAGYGMSSA-N 316.239 2.839 0 40 DFAB COc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl 74931711 FIKUZLMSPLXADS-UHFFFAOYSA-N 304.780 2.606 0 40 DFAB CNC(=O)COc1ccc(CNc2ncc(Cl)cc2F)cc1 79296655 NLROQRCXNYETKU-UHFFFAOYSA-N 323.755 2.611 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(OCC(N)=O)c1 75837946 KDQOTUCJNAVBIB-KMFMINBZSA-N 302.418 2.704 0 40 DFAB Cc1ccc2nc(C)c(C(=O)O[C@H](C)C(=O)NC3CC3)cc2c1 32854506 LXGISEOKRSDWHY-GFCCVEGCSA-N 312.369 2.676 0 40 DFAB CCSc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cn1 72940929 PNPUJRSBRAKISL-KGLIPLIRSA-N 320.462 2.894 0 40 DFAB Cc1nnc(O)c(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)c1C 76392425 RFCIITZZVPLRTA-STQMWFEESA-N 317.776 2.738 0 40 DFAB Nc1cc(C(=O)OCC(F)(F)F)ccc1OCC(F)(F)F 72226447 JFZOFYVZILHJOA-UHFFFAOYSA-N 317.185 2.929 0 40 DFAB CC(C)n1nccc1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1 565997597 OUEDBVNQYHALHV-AEFFLSMTSA-N 312.417 2.574 0 40 DFAB COc1ccc(-c2n[nH]cc2[C@H]2CC(O)=Nc3c2cnn3C)cc1 49548883 JLDRNBPUZVWFGY-GFCCVEGCSA-N 323.356 2.942 0 40 DFAB C[C@H](NCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 195561428 KDYKKFZSDZUIEV-ZETCQYMHSA-N 313.785 2.739 0 40 DFAB Cc1cccc2c1sc(=O)n2CC(=O)N1CCCC[C@@H]1C 583380870 KDWINTKNCFXETQ-LBPRGKRZSA-N 304.415 2.772 0 40 DFAB Cc1cc([C@H](C)NC(=O)NC[C@H]2CC[C@@H](O)C2)cc(C)c1F 195578360 NJOSVBYWTUZGTL-KCQAQPDRSA-N 308.397 2.964 0 40 DFAB O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1c1ccsc1 96053679 HSIKGYAYZLBBNR-FZMZJTMJSA-N 304.440 2.904 0 40 DFAB c1ccc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nc1 96226370 CUDAZZIETFXCLG-SFHVURJKSA-N 313.401 2.546 0 40 DFAB CO[C@@H](CNC(=O)CC1CCOCC1)c1cccc(Cl)c1 96431902 PJPDMNBBPICJDI-HNNXBMFYSA-N 311.809 2.960 0 40 DFAB C[C@@H]1SCCN(CCCS(C)(=O)=O)[C@H]1c1ccccc1 96411364 QNRAOTQBNGAPJA-DZGCQCFKSA-N 313.488 2.600 0 40 DFAB C[C@H](CNC(=O)Cc1ccon1)c1nc2ccccc2s1 96483088 ZELHECAOMAWLKV-SNVBAGLBSA-N 301.371 2.747 0 40 DFAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 96159617 MCOPFSFIVQAZPQ-IBGZPJMESA-N 314.429 2.602 0 40 DFAB Cn1cccc1[C@@H]1COCCN1Cc1nc(C2CCCC2)no1 97103527 LRBLXTWTJFXBBS-HNNXBMFYSA-N 316.405 2.639 0 40 DFAB COc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 96419994 LZRNHHFMIWTWCN-OAHLLOKOSA-N 305.761 2.812 0 40 DFAB CCCn1nccc1-c1cccc(C[C@@H]2CCN(C(C)=O)C2)n1 257310690 UGDCYOYCSTUFEE-HNNXBMFYSA-N 312.417 2.766 0 40 DFAB CCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O 257298829 RNKYUELJIHXQQZ-KRWDZBQOSA-N 305.418 2.591 0 40 DFAB Cc1cc([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@H]2C)cc(C)c1F 253370815 WRMORAPMXSSEFY-SGMGOOAPSA-N 315.410 2.600 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCN(c3ccccn3)C2)n1 257232305 GKHILOLFJFJULQ-ZDUSSCGKSA-N 306.373 2.564 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(C(C)C)no2)C1 51052098 ZKGDZIUVHNTFFP-UONOGXRCSA-N 322.453 2.710 0 40 DFAB CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 69476933 CHLAMXWJBNXGKC-KRWDZBQOSA-N 323.396 2.634 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2cn(C)nc2-c2ccncc2)c1 69463600 QZBDJMNHGSVPOS-GJZGRUSLSA-N 324.432 2.726 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1F 69489627 IZGXXZREXZVUFV-SJORKVTESA-N 304.409 2.844 0 40 DFAB CC(C)(C)[C@H](O)CNc1ccccc1S(=O)(=O)C(F)F 79002764 ZJXMTRWUNXEJRZ-LLVKDONJSA-N 307.362 2.502 0 40 DFAB O=c1oc2ccccc2cc1C1=NN[C@H](c2cccc(O)c2)C1 5704899 LDDKLMOOKRWRGB-HNNXBMFYSA-N 306.321 2.937 0 40 DFAB CCCn1cc2c(C)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398952 PYSJUGMUCASREF-UHFFFAOYSA-N 316.405 2.841 0 40 DFAB O=C(NCCNCc1ccccc1C(F)(F)F)c1ccco1 13839454 KPGUPZIBPBZBBG-UHFFFAOYSA-N 312.291 2.818 0 40 DFAB CCSc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 1573698 YVHSYFLXWOWATO-AATRIKPKSA-N 308.384 2.988 0 40 DFAB O=C(O)c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 5205347 OQHBPEZKDSWIIE-UHFFFAOYSA-N 302.238 2.574 0 40 DFAB O=C(Nc1ccncc1)C1(c2ccc(F)cc2)CCOCC1 16985894 XPABCWLOJNRJQX-UHFFFAOYSA-N 300.333 2.908 0 40 DFAB NC(=O)NC(=O)CCSc1nc2cc(Cl)ccc2s1 11155885 IAIVIJAAVRMUBZ-UHFFFAOYSA-N 315.807 2.627 0 40 DFAB COc1ccc(NC(=O)c2ncnc3c2CCCC3)cc1OC 1888859866 BLSOXMHXAIGOOL-UHFFFAOYSA-N 313.357 2.625 0 40 DFAB COc1ccc(CNC(=O)NN2[C@@H](C)CCC[C@@H]2C)cc1OC 31029555 OJONROAJPOZMAL-STQMWFEESA-N 321.421 2.681 0 40 DFAB Cc1cc(COC(=O)C(O)(c2ccccc2)c2ccccc2)on1 32176483 FOCFNPKQPNWEIW-UHFFFAOYSA-N 323.348 2.962 0 40 DFAB CC(C)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841123 XASYTTCBFUINCB-GOSISDBHSA-N 302.418 2.683 0 40 DFAB CC1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1 2622617 GCAZRHNPRLOQGK-UHFFFAOYSA-N 307.375 2.680 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(Cl)cc1 8902651 MWFOJEQZJIMEFF-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB O=C(NCCc1ccc(-c2ccsc2)s1)N1CCNC1=O 575413991 FBINISJHAOWOMA-UHFFFAOYSA-N 321.427 2.754 0 40 DFAB C[C@@H](O)c1ccc(C2(CNC(=O)[C@@H]3CCOC3)CCCC2)s1 585370164 GQTLGFHRIUQOSN-CHWSQXEVSA-N 323.458 2.766 0 40 DFAB Cc1cccc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183878 NZGPSNLFIWQSDX-AWEZNQCLSA-N 323.387 2.864 0 40 DFAB Fc1cc(Cl)cnc1N1CCC[C@H](COc2cnccn2)C1 2298187274 DDXMZOZISGYESC-NSHDSACASA-N 322.771 2.960 0 40 DFAB C[C@](O)(CNC(=O)NCCCc1ccccc1)c1cccs1 75156098 BNJOERIPWWXKAP-KRWDZBQOSA-N 318.442 2.888 0 40 DFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1O 2332242659 GMCZCGXJTKRAHO-RDGPPVDQSA-N 311.429 2.636 0 40 DFAB CCC[C@@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 40538758 YGAJBBUFLKMARR-QGZVFWFLSA-N 313.357 2.952 0 40 DFAB CCC(CC)c1nnc(NC(=O)NC2CCC(O)CC2)s1 40526761 IUYTVXJFMQWUCF-UHFFFAOYSA-N 312.439 2.867 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)[nH]n1 51356062 LIRDXMDRFUGAMC-UHFFFAOYSA-N 315.373 2.811 0 40 DFAB Cc1cc(Br)ccc1NC(=O)CCn1cccn1 36720249 MVUSYBAKFVSPFT-UHFFFAOYSA-N 308.179 2.983 0 40 DFAB Cc1ccc(C[C@H](CC(=O)NCc2ccccc2)C(=O)O)cc1 263372 FHZWZRVIFQBGTE-QGZVFWFLSA-N 311.381 2.945 0 40 DFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)cc1 260563 MBEIKBZQGWHCJR-OAHLLOKOSA-N 320.389 2.891 0 40 DFAB biogenic O=C(c1ccccc1CN1CCC2(CC1)OCCO2)C1CC1 2515755 VIHPZPRHULWONI-UHFFFAOYSA-N 301.386 2.618 0 40 DFAB CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C 36841338 UZDUQYQXYAEWKX-SWLSCSKDSA-N 308.397 2.741 0 40 DFAB COC(=O)c1ccccc1NC(=O)CN(C)C1CCCCC1 7786609 UCTKVSMCYWCQID-UHFFFAOYSA-N 304.390 2.676 0 40 DFAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccccc1 1932685 QZZFXBYRGIZOOU-UHFFFAOYSA-N 319.744 2.901 0 40 DFAB CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)cc21 101417317 PXPZYHYTWKQAQW-NOLJZWGESA-N 323.396 2.538 0 40 DFAB CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CC[C@H](C)C2 3348744 GXTYIFXXSIFTDV-JTQLQIEISA-N 324.446 2.550 0 40 DFAB O=C(Cn1ccs/c1=N/C(=O)c1cccnc1)c1ccccc1 101819124 AQGVPUJBCGXYCK-HTXNQAPBSA-N 323.377 2.569 0 40 DFAB COc1ccccc1Nc1nc(NCCO)c2ccccc2n1 4093417 FGCFCDMIEWLYDJ-UHFFFAOYSA-N 310.357 2.786 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12 6114964 QQJQBTMEDWKDKJ-UHFFFAOYSA-N 324.336 2.972 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 6791441 GRTUGLAVJUZJDL-LBPRGKRZSA-N 312.435 2.748 0 40 DFAB COc1ccccc1CNS(=O)(=O)c1ccc(C)cc1C 7376389 IAFDHSKEUZASSA-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB C[C@H](c1cc(F)ccc1F)N(C)c1ncnc2c1cnn2C 52447119 MOJVSECJWHHYSE-SECBINFHSA-N 303.316 2.839 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CC[C@@H](C)C3 496315 MNIISISHLUDPMP-SSDOTTSWSA-N 323.443 2.663 0 40 DFAB O=C(NCCc1cccnc1)[C@@H]1CCCCN1Cc1ccccc1 89834942 FRQOBKHOCAUCON-IBGZPJMESA-N 323.440 2.795 0 40 DFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1scnc1C 46753632 QQOUWEZDASVHFY-UHFFFAOYSA-N 318.398 2.885 0 40 DFAB CCNC(=O)[C@@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 22811545 LIWYNOYWHDCSDS-GFCCVEGCSA-N 321.384 2.628 0 40 DFAB NC(=O)[C@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 53945120 PWWNEGRGNTXIFV-OAHLLOKOSA-N 310.378 2.858 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(Br)cc1 103066292 KSUBURSTMHWXDU-BETUJISGSA-N 320.186 2.900 0 40 DFAB CCCCC[C@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721494 ZKXJETYWCPKQDF-AWEZNQCLSA-N 319.449 2.597 0 40 DFAB O=C(OCc1noc(-c2ccco2)n1)c1n[nH]c2ccccc12 23949804 YKTCAIQYBLLSBF-UHFFFAOYSA-N 310.269 2.563 0 40 DFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1nnc[nH]1 105564528 ULLWEDRAORBUBG-UHFFFAOYSA-N 308.407 2.520 0 40 DFAB O=C(c1cc2ccccc2oc1=O)N1CCOc2ccccc21 24586226 PSZXNKOHEOOCCK-UHFFFAOYSA-N 307.305 2.832 0 40 DFAB Cc1c([C@H](C)NC(=O)c2cccc(OC(F)F)c2)cnn1C 25006410 NQHJVCYIGPYJDT-VIFPVBQESA-N 309.316 2.821 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1 25152939 LTTLEMHBAHSZTD-WMLDXEAASA-N 311.381 2.712 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1c2ccnn2[C@H](C)C[C@H]1C 107494115 ZWTYJKVQIHRVLI-KBXIAJHMSA-N 321.421 2.544 0 40 DFAB O=C(c1cc2occc2n1Cc1ccccc1)N1CCOCC1 35474939 CYCMAKDGOFZUAF-UHFFFAOYSA-N 310.353 2.755 0 40 DFAB Cc1cccc(C)c1OCCNC(=O)c1cccnc1N(C)C 44573149 ARADVALJJVCZOC-UHFFFAOYSA-N 313.401 2.573 0 40 DFAB O=c1[nH]nc(SCc2ccccn2)n1CCc1ccccc1 10535521 HMUTWCVLKWDBPY-UHFFFAOYSA-N 312.398 2.501 0 40 DFAB CN(C)C(=O)c1cccc(NC(=O)COc2cccc(F)c2)c1 36390506 TYXWWZUZHDNIET-UHFFFAOYSA-N 316.332 2.545 0 40 DFAB O[C@H](COc1ccc(Cl)cc1)Cn1nnc2ccccc21 2484785 YWLYZXPDWXPJRY-LBPRGKRZSA-N 303.749 2.525 0 40 DFAB Cn1c(CN2CCC3(CC2)OCCO3)nc2cc(Cl)ccc21 48365789 QPAKIBIXUPKSMO-UHFFFAOYSA-N 321.808 2.566 0 40 DFAB CC(C)(C)c1noc(CS(=O)(=O)C/C=C/c2ccccc2)n1 48324721 WBQCSMWXZKKJCB-JXMROGBWSA-N 320.414 2.995 0 40 DFAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C(N)=O)cc1)C2 12853869 QGVUMQPZJQIKFU-HNNXBMFYSA-N 312.394 2.749 0 40 DFAB C1=C(c2ccccc2)CCN(c2nnnn2-c2ccccc2)C1 3449606 ZKJLMUSJTPKTKW-UHFFFAOYSA-N 303.369 2.956 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)s1 13007268 STZYCPMUESMLLP-UHFFFAOYSA-N 310.810 2.649 0 40 DFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O 8288487 LIXRSIJYUHVPGI-MRXNPFEDSA-N 311.337 2.569 0 40 DFAB O=c1ccnc2sc(N(CC3CC3)C3CCCCC3)nn12 65542400 NCBLAVCXXQOUBK-UHFFFAOYSA-N 304.419 2.700 0 40 DFAB CCOc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 64872612 DWAHMMUXLPWAPS-OAHLLOKOSA-N 313.353 2.511 0 40 DFAB COC(=O)[C@H](C)NC(=O)c1ccccc1OCc1cccs1 69528001 DBDCEYOWDBYTHI-NSHDSACASA-N 319.382 2.618 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cccnc1 6708665 LMPAWFNKFVKBKT-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cnc2ccccc2n1 69948300 MXRYPMLKDSRBGB-DLBZAZTESA-N 310.401 2.610 0 40 DFAB CCn1nnc(NCc2ccc(OCc3ccccc3)cc2)n1 15356925 QSCARBDVXYTOFZ-UHFFFAOYSA-N 309.373 2.884 0 40 DFAB C[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1 18208257 WEUMEWFJARXIDM-SECBINFHSA-N 308.765 2.553 0 40 DFAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1 7589344 IZYZFYJGSFWMPF-UHFFFAOYSA-N 323.396 2.887 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](N2CCCC2)C1 71185473 RZCIHIWPHUZCGZ-AWEZNQCLSA-N 305.422 2.807 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(N)c2C)cc1 19736294 FFUBPRGHMZNPHE-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB COc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1F 83414596 YLXWIFXTVNFAQI-MRXNPFEDSA-N 323.408 2.994 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)c2cc(C(N)=O)cs2)c1 71890200 FRAQVYCGVJKMAN-UHFFFAOYSA-N 317.414 2.944 0 40 DFAB NC(=O)N1CCC(=NNc2ccccc2C(F)(F)F)CC1 71889254 GNUGLTZZOJUTDN-UHFFFAOYSA-N 300.284 2.648 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc21 71818126 PRRNETJIFWCAPK-LLVKDONJSA-N 317.366 2.697 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 71836804 WWFPUAGTCNZWSE-ZDUSSCGKSA-N 314.385 2.559 0 40 DFAB Cn1c([C@H]2CCCN2C(=O)C[C@H]2CCCO2)nc2ccccc21 71839205 TVRNRTMQWJKFRC-CZUORRHYSA-N 313.401 2.806 0 40 DFAB C[C@@H](C(=O)N(C)Cc1cccc(O)c1)n1cnc2ccccc21 83888331 OSQQFORRLLNPSQ-ZDUSSCGKSA-N 309.369 2.962 0 40 DFAB COc1ccsc1C(=O)NCCc1nc2ccccc2n1C 71907610 BBGBWOMHBVPCLK-UHFFFAOYSA-N 315.398 2.616 0 40 DFAB C[C@@H]1SCCN(CCC(=O)N2CCc3sccc3C2)[C@H]1C 71911145 DJEQFPNVPRFGBO-STQMWFEESA-N 324.515 2.849 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(C)on2)C12CCCC2 76084995 RSULMHSECDTCAS-ZIAGYGMSSA-N 307.394 2.520 0 40 DFAB O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(F)c(O)c(F)c1 97377211 OQZRXSCJVLWBPF-QMTHXVAHSA-N 313.344 2.732 0 40 DFAB O=C(Nc1cccnc1Cl)N[C@@H]1CCC[C@@H]1n1ccnc1 76091854 STXYLRAOCLRHMW-PWSUYJOCSA-N 305.769 2.847 0 40 DFAB Cc1c([C@H](C)NC(=O)[C@H]2CSC(=O)N2)oc2ccc(F)cc12 73250877 LLWSOJPTBZLFTN-GZMMTYOYSA-N 322.361 2.883 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)N[C@H](C)c1cnn(C)c1 78952616 KDNNCDAEZXDRKX-GFCCVEGCSA-N 316.405 2.724 0 40 DFAB Cc1noc(CCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)n1 79350930 BDXUFYYSZPMOTA-OAHLLOKOSA-N 317.364 2.683 0 40 DFAB CC[C@](C)(NC(=O)Nc1c(C)ccn(C)c1=O)c1nccs1 75110180 QFQXFWJMYVKWRA-HNNXBMFYSA-N 320.418 2.597 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccncc1 75130381 VSNMTCUBBUROCL-INIZCTEOSA-N 312.417 2.728 0 40 DFAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2[nH]nnc2c1 89781023 PJEMDQVROCYIAU-UHFFFAOYSA-N 312.304 2.699 0 40 DFAB CCn1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)c(C)n1 61719440 QAHTZKSKTAOJHV-ZDUSSCGKSA-N 305.407 2.678 0 40 DFAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612499 KRQCQRJEWLYSNI-UHFFFAOYSA-N 306.381 2.546 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cnn(C)c1 27919523 QOYCZWWMDYIIFQ-VIFPVBQESA-N 308.769 2.965 0 40 DFAB C[C@@H](OCC1CC1)C(=O)Nc1ccc(N2CCCCC2)cn1 68353348 WMWREODYCUBIPS-CYBMUJFWSA-N 303.406 2.826 0 40 DFAB C[C@H](NC(=O)COC(=O)c1cc(F)ccc1F)c1ccccc1 67198457 HNWOVXRQOAJWJG-NSHDSACASA-N 319.307 2.999 0 40 DFAB O=C(c1ccn(C2CCCC2)n1)N1CCN(c2ccccc2)CC1 32611584 LCSWRJGQVLOUNH-UHFFFAOYSA-N 324.428 2.961 0 40 DFAB Cc1cc(OCC(=O)c2cccc(OC(F)F)c2)nnc1C 77936743 CAUUIHDYRHOFFO-UHFFFAOYSA-N 308.284 2.957 0 40 DFAB CC(=O)Nc1nc(C(=O)O[C@@H](C)Cc2ccccc2)cs1 72062584 KQVJHMHYUZGXGN-JTQLQIEISA-N 304.371 2.890 0 40 DFAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)[C@@H]1CCCO1 71284573 GAYBPPSYKVFJBP-HNNXBMFYSA-N 308.341 2.742 0 40 DFAB CCN1CCN([C@H](c2nnnn2C2CCCCC2)C(C)C)CC1 35291304 BLEFQBHJISMBCW-INIZCTEOSA-N 320.485 2.513 0 40 DFAB COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1F 30289429 PGDVSYOQHGSNID-UHFFFAOYSA-N 323.389 2.745 0 40 DFAB O=C(c1ccco1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165185 PVVQZLRXGVFARW-UHFFFAOYSA-N 315.251 2.701 0 40 DFAB O=S(=O)(c1ccccc1OCc1nccs1)N1CCCC1 521396985 CPKJRBLWMAVIRJ-UHFFFAOYSA-N 324.427 2.507 0 40 DFAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 72227259 WLTCOQNNQQJHNG-KBPBESRZSA-N 317.186 2.864 0 40 DFAB C[C@@]1(C(=O)NCC2CCCC2)Sc2ccccc2NC1=O 41645255 IWTMNGNVBBDLCM-INIZCTEOSA-N 304.415 2.796 0 40 DFAB COCc1nc(CN2CCc3c(cccc3C(=O)O)C2)cs1 573221967 XCFUCXYJNIFJRN-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCN(CC(F)(F)F)CC1 44448736 FUNIYKJWPRVVKN-UHFFFAOYSA-N 312.291 2.753 0 40 DFAB c1ccc([C@H](CN[C@@H]2CCCSC2)N2CCOCC2)cc1 195558454 HTJJAJAZHVOTIQ-SJORKVTESA-N 306.475 2.545 0 40 DFAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CC(n2cc(-c3ccccc3)nn2)C1 225663558 IPCVEAKGQQRFQT-JLJPHGGASA-N 320.396 2.541 0 40 DFAB Cn1nc(OCCC(=O)NC2CCCCC2)c2ccccc21 226864968 YSDOGBYRSIXQFA-UHFFFAOYSA-N 301.390 2.791 0 40 DFAB COCCOCC(=O)Nc1nc2c(Cl)cccc2s1 192172715 PHCORIJVFKUTRO-UHFFFAOYSA-N 300.767 2.551 0 40 DFAB CC(C)(C)OC(=O)N1CCN(Cc2cnc(Cl)s2)CC1 40434244 FLJJYGKPZMEOFS-UHFFFAOYSA-N 317.842 2.849 0 40 DFAB O=C(Nc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 96422407 CXYVKRVKKQIDDS-CYBMUJFWSA-N 306.431 2.605 0 40 DFAB C[C@H](C(=O)Nc1ccc(N2CCSCC2)cc1)n1cccn1 96422401 BXPWWXPPZYWKIZ-CYBMUJFWSA-N 316.430 2.636 0 40 DFAB O=C(O)c1cc(Br)c(-c2ccc(F)cc2)[nH]c1=O 96517594 YIPJACFNCXVMPM-UHFFFAOYSA-N 312.094 2.642 0 40 DFAB c1ccc2oc([C@H]3CCCN(c4ncnc5[nH]cnc45)C3)nc2c1 96453455 CCRBTQSQTYMDIB-NSHDSACASA-N 320.356 2.878 0 40 DFAB Cc1ccc(CNC[C@@H](O)c2cccnc2)c(Br)c1 96483961 FBFTZQRVACGKFT-OAHLLOKOSA-N 321.218 2.976 0 40 DFAB CCN1CC[C@H](NCCCc2nc3ccccc3n2C)[C@H](C)C1 90050203 KZYVQLMELLATGB-CVEARBPZSA-N 314.477 2.826 0 40 DFAB c1cncc(OCc2ncn3c2CN(Cc2ccco2)CCC3)c1 96085068 CVSJMFVUUQQCHU-UHFFFAOYSA-N 324.384 2.856 0 40 DFAB CN1CCC(NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 96452260 BJXMJWKWXGVMFV-UHFFFAOYSA-N 321.396 2.973 0 40 DFAB Cc1noc(CCCNc2ncnc3cc(F)c(F)cc23)n1 96429387 ZSWDVPMWICLCCB-UHFFFAOYSA-N 305.288 2.644 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)C1 252506866 XEPMPSHBZXRECY-VNHYZAJKSA-N 320.458 2.744 0 40 DFAB CN1[C@@H]2CN(C(=O)COc3ccccc3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257242072 IAZKAFGOXADMOK-RMRDIRSESA-N 314.429 2.539 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253472211 KIDGMJNKUGCGGS-CQSZACIVSA-N 322.368 2.989 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccnc(-c3cccc(C(=O)O)c3)c2)C1 257317939 VLUQQPLOGTXALB-HNNXBMFYSA-N 324.380 2.858 0 40 DFAB CC(C)(C)CC(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)s1 257208010 BKHBCHJRIICSMG-SNVBAGLBSA-N 309.435 2.732 0 40 DFAB CN(C(=O)Cc1ccsc1)[C@@H]1CCCN(c2ccccn2)C1 257324741 WPYRHIVNHOXUNB-OAHLLOKOSA-N 315.442 2.813 0 40 DFAB COCCN1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 257343949 ZVBSPWLORPQMPI-MRXNPFEDSA-N 312.417 2.899 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](c3ccncn3)C2)s1 257291647 QHYZYJPVQKLBST-CYBMUJFWSA-N 301.415 2.795 0 40 DFAB CCc1nccn1CCC(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257276295 NTCYYGZVDVXPAV-RKVPGOIHSA-N 319.449 2.642 0 40 DFAB CC(C)C[C@H](CN)CC(=O)OCCN(C)Cc1ccccc1 585141231 RRXAHPNSQKCLKH-KRWDZBQOSA-N 306.450 2.673 0 40 DFAB COc1ccc(CNC(=O)CN[C@H](C)c2ccc(F)cc2)cc1 58165443 ADRJOSVISGVHNG-CYBMUJFWSA-N 316.376 2.801 0 40 DFAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1csc(-c2ncccn2)n1 67516063 QNARYSJEVGKICO-STQMWFEESA-N 322.393 2.886 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 62913279 YEYYQMAQYDPVMK-HNNXBMFYSA-N 307.777 2.695 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCc2cscn2)n1 70007041 NQTPIJCZMLIWCV-HNNXBMFYSA-N 318.446 2.580 0 40 DFAB O=C(Oc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(C2CCCC2)C1 84490012 BTKPAYNRVKZPPM-HNNXBMFYSA-N 313.397 2.872 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccsc1 5657804 QXHWKQQJCXOAKQ-LLVKDONJSA-N 319.382 2.870 0 40 DFAB O=C(Cn1ccs/c1=N\C(=O)c1cccnc1)c1ccccc1 12319389 AQGVPUJBCGXYCK-ZPHPHTNESA-N 323.377 2.569 0 40 DFAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 12532584 JCIWVPRYPNLWHF-UHFFFAOYSA-N 317.366 2.674 0 40 DFAB O=C(O)/C(Cl)=C(\Cl)C=NNc1ccc([N+](=O)[O-])cc1 257352037 IPZTWAULIXCHDE-HGNWCEHTSA-N 304.089 2.766 0 40 DFAB Cc1ccc(OC[C@@H]2CCN(c3nc4ccccc4n3C)C2)nn1 1888879057 ITBBFPGGDQQSTG-CQSZACIVSA-N 323.400 2.577 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C)s2)C1 35160172 AWQMISFTVSRVMS-XEHSLEBBSA-N 307.415 2.871 0 40 DFAB CCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C 4384580 MHPQVCSQIXCPAI-UHFFFAOYSA-N 300.406 2.908 0 40 DFAB O=C(Nc1ccc2n[nH]nc2c1)c1ncc(-c2ccccc2)o1 206586736 PFJAUZCCCRKDRB-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB CN1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 20123751 CFKXBOVLPOFVAB-UHFFFAOYSA-N 312.442 2.810 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCCCCC1 40554194 YEZNMNONNOUJRY-UHFFFAOYSA-N 302.403 2.925 0 40 DFAB CN(Cn1ncc2ccccc2c1=O)[C@@H]1CCc2ccccc21 29314361 TVMVBQYDGOKVOE-GOSISDBHSA-N 305.381 2.973 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1C 20963678 PMLFLEXWWWMHIQ-BREBYQMCSA-N 306.406 2.515 0 40 DFAB 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317.897 2.691 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71284230 FYTUORXCTKQFPX-OLZOCXBDSA-N 318.373 2.576 0 40 DFAB C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203925 ORXZHSMQKOPXPF-CHWSQXEVSA-N 306.410 2.527 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC 223841123 NMDYXBIIZXQVGB-GFCCVEGCSA-N 310.825 2.993 0 40 DFAB COCc1nc([C@@H]2CCCCN2C(=O)c2cc(C)cs2)n[nH]1 569071743 XUPYUBOZGRYQEL-NSHDSACASA-N 320.418 2.688 0 40 DFAB CC(C)O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 569577789 BPKGYBAPKAGWLY-QGZVFWFLSA-N 317.429 2.761 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1ccc(F)cc1)CC(C)C 40089057 QKJSJWYJWOBHAK-OAHLLOKOSA-N 324.396 2.645 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1cc(C)on1 88200498 MIJMRMQSOYMDPG-INIZCTEOSA-N 313.401 2.783 0 40 DFAB Cc1ccc(-c2noc([C@@]3(C)CCC(=O)NC3)n2)cc1Cl 331617691 GGXKSMMSRQNKRI-HNNXBMFYSA-N 305.765 2.866 0 40 DFAB Cc1ccc(OC2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1C 96481177 HHQNDTJFLJONRZ-QGZVFWFLSA-N 304.434 2.657 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccncc1 95635178 SZVQIXXGIFSJKL-GFCCVEGCSA-N 308.378 2.989 0 40 DFAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc2cc[nH]c2c1 97095049 YZAWTFYZMBFKAL-UHFFFAOYSA-N 321.384 2.902 0 40 DFAB CN1C(=O)CC[C@H](N[C@@H]2CCCSC2)[C@@H]1c1cccs1 97370867 AMOMQOGHVNEHTH-TYNCELHUSA-N 310.488 2.895 0 40 DFAB CCn1nncc1C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 578004475 WEVHSPZKBYRACM-KRWDZBQOSA-N 316.380 2.675 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 96434039 LXSQOZZGYXOPTM-ZYHUDNBSSA-N 319.434 2.682 0 40 DFAB COC(=O)c1cc(CN2CCC[C@@H](c3nc(C)cs3)C2)c[nH]1 92788285 QNXLSYXJWTZSNZ-CYBMUJFWSA-N 319.430 2.946 0 40 DFAB CCOC(=O)N1CCC(N[C@H](C)[C@@H]2COc3ccccc32)CC1 96494327 XATQDFBIJBEMSH-CJNGLKHVSA-N 318.417 2.762 0 40 DFAB Cc1nc2c(cc1C(=O)O)CCN(Cc1cccs1)CC2 96189556 NBYFFVYHEWVQMO-UHFFFAOYSA-N 302.399 2.751 0 40 DFAB COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 91690263 IKCBAIMGMPXTJB-ZDUSSCGKSA-N 309.362 2.824 0 40 DFAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ccn[nH]3)cn12 257303516 SHOBHOPXRPTCMJ-HNNXBMFYSA-N 309.373 2.733 0 40 DFAB CC[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@@]2(CCOC2)O1 252571697 YKNOENFPYDJCEF-KZNAEPCWSA-N 305.418 2.644 0 40 DFAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 257275480 NPOUVXJFDCMCKB-CQSZACIVSA-N 301.415 2.795 0 40 DFAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC[C@H]1c1ccn[nH]1 257333815 YDEJFBDJXMOGHE-INIZCTEOSA-N 322.372 2.562 0 40 DFAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccco1 253473786 YKNKKKISSRRKLQ-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2N)cc1 252508881 XWUBGLWMZQVHRH-UHFFFAOYSA-N 321.336 2.856 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1 257294410 QTZVNCJMNGSCRK-KRWDZBQOSA-N 309.413 2.765 0 40 DFAB CCCCc1nc(CN2CCC[C@H](Cc3ccn[nH]3)C2)c[nH]1 257284152 PBJZHZQFMKZIOV-CQSZACIVSA-N 301.438 2.930 0 40 DFAB Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]2c2ccn[nH]2)n1 257343822 ZUOKYLAQHTVPRS-INIZCTEOSA-N 315.421 2.757 0 40 DFAB CN1CC[C@@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 252486438 KBCDEQNUCVVROQ-BLLLJJGKSA-N 322.815 2.985 0 40 DFAB Cc1cc(C(=O)NCCn2nc(-c3cccnc3)cc2C)c(C)o1 390826511 NCLRBZMUDXTUCH-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB CCCCN1CCC[C@@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099803 BQYCJVGQLVBOGB-SJLPKXTDSA-N 308.466 2.813 0 40 DFAB CO[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1cccc(F)c1 585275194 ZQFUSEXGAIKJGG-RHSMWYFYSA-N 303.381 2.628 0 40 DFAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccncc1 48278545 FFKRGZFOOUDEJD-BBRMVZONSA-N 323.396 2.850 0 40 DFAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1Cc1cccc(F)c1 56981348 XBGBTCGVJZRCIP-OAHLLOKOSA-N 324.359 2.944 0 40 DFAB Cc1cccc2nc(CNC(=O)[C@H]3COc4ccccc4C3)cn12 68571818 CTNPIIYHQKPXIB-OAHLLOKOSA-N 321.380 2.510 0 40 DFAB CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc3c(c2)OCO3)CCO1 96005522 WVKIFAGHQIQYHP-CJNGLKHVSA-N 319.401 2.873 0 40 DFAB Cc1cncc(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 97038334 MGSKSBDUDZGESC-ZDUSSCGKSA-N 319.430 2.813 0 40 DFAB Cc1nc([C@H](C)NC(=O)Cc2cccc(F)c2)sc1C(=O)O 97235299 PPYRLZJCDKTOLB-VIFPVBQESA-N 322.361 2.709 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)n[nH]1 84110563 TXRXRALHXRPPCN-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB C[C@@H](c1cccnc1)N(C)C[C@H](O)COCc1ccccc1 79311523 FFJQATJQARTNOE-YJBOKZPZSA-N 300.402 2.652 0 40 DFAB Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1 96010205 DZKUKODVKJSSMA-AWEZNQCLSA-N 305.422 2.737 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1c[nH]c2ccccc12 13554944 WXUWFWMYNLHDEA-INIZCTEOSA-N 316.401 2.804 0 40 DFAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)CCC3 14607795 GRHGMBDHBNZUEL-UHFFFAOYSA-N 322.368 2.881 0 40 DFAB C[C@H](NCc1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 19458473 FMBQDRGJGYDOCZ-LBPRGKRZSA-N 324.359 2.822 0 40 DFAB Cc1c(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cnn1C 19553215 QQCMPFFPZLHUQF-UHFFFAOYSA-N 323.400 2.625 0 40 DFAB CC(=O)c1cc(C(=O)OC[C@@H]2CCOc3ccccc32)n(C)c1 155549454 FGILCVZROTYICT-ZDUSSCGKSA-N 313.353 2.951 0 40 DFAB COc1ccc(OC)c(NC(=O)CN2Cc3ccccc3C2)c1 155468083 ZOVWUQCXDLZMCV-UHFFFAOYSA-N 312.369 2.658 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H]1O 643550777 IJWMPEOMKQFQOD-FVQBIDKESA-N 317.385 2.790 0 40 DFAB CC[C@@H](C)NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 9626231 LABVWWIWUMWCEY-SNVBAGLBSA-N 324.450 2.664 0 40 DFAB O=C(/C=C/c1cccnc1)Nc1cccc(N2CCOC2=O)c1 31929458 FXOPISZLQROYAP-VOTSOKGWSA-N 309.325 2.690 0 40 DFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)N(C)C1CCCCC1 32770492 QURZFEPPBBCWSL-ZDUSSCGKSA-N 308.447 2.947 0 40 DFAB CCOc1ncccc1C(=O)NC[C@H](c1cccs1)N(C)C 32721209 LRFIVNHSCAKULK-CYBMUJFWSA-N 319.430 2.575 0 40 DFAB O=C(c1ccccn1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 244975280 IJNLUWLQZZIVEJ-OAHLLOKOSA-N 319.364 2.923 0 40 DFAB CCN(C)C(=O)CCN[C@@H](C)c1ccccc1Br 97032975 YDBVDDVSFRNGTD-NSHDSACASA-N 313.239 2.968 0 40 DFAB O=c1c2ccccc2n(CC2CC2)c(=O)n1Cc1ccccc1 2087082424 DIMBFZOEZFVBAS-UHFFFAOYSA-N 306.365 2.622 0 40 DFAB O=C(Nc1cccs1)N1CCCN([C@H]2CCSC2)CC1 1565523532 RWRBGPXNZKCTSW-LBPRGKRZSA-N 311.476 2.793 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@@H](Oc2cnccn2)C1 225793169 FJFBWRDXOJDLFM-CYBMUJFWSA-N 309.325 2.516 0 40 DFAB COC1CCN(C2CN(C(=O)Nc3cccc(Cl)c3)C2)CC1 575611053 RXMWZTPASCIQIW-UHFFFAOYSA-N 323.824 2.667 0 40 DFAB COc1cccc(C(N)=O)c1OCCOc1cccc(Cl)c1 23659203 ZJSAZWYYZBUIKB-UHFFFAOYSA-N 321.760 2.905 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 101804465 UGOZTKWIODIFBQ-JCGIZDLHSA-N 323.396 2.544 0 40 DFAB CC(C)c1ccc(CNC(=O)CSc2nnc(N)s2)cc1 36148 KWJYMVFROSFPRJ-UHFFFAOYSA-N 322.459 2.652 0 40 DFAB Cc1ccc(NC(=O)NC[C@H](O)COc2ccccc2)cc1C 40095449 DJSXEEFFVGDAQI-INIZCTEOSA-N 314.385 2.865 0 40 DFAB CC(C)(C)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 50256407 CEQJILDTQRVREH-UHFFFAOYSA-N 309.431 2.931 0 40 DFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 50736068 DUPPWJFQKMUOBS-HIFRSBDPSA-N 320.408 2.983 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 249093 YBESPLHEOCGMTK-YPMHNXCESA-N 313.419 2.561 0 40 DFAB COc1cc2sc(NC(=S)NC(C)=O)nc2cc1Cl 557327 WDQUCDOZTKHWGT-UHFFFAOYSA-N 315.807 2.791 0 40 DFAB CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2F)c1 575730 CAXZBKQFNJDVNP-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB CN(C)c1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cn1 46169011 KRVHVJYFJSJFRZ-UHFFFAOYSA-N 322.368 2.690 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C=Cc3ccccc32)cc1 4962407 ZDJUZNSLJATCAX-HNNXBMFYSA-N 315.394 2.578 0 40 DFAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)CC(C)(C)C4)cc1 4992900 XJWSZLOWDXTEGM-UHFFFAOYSA-N 322.368 2.955 0 40 DFAB O=C(CSc1ccccc1)NC[C@@H]1COc2ccccc2O1 7169627 YTSVSPUBMZQZOK-CYBMUJFWSA-N 315.394 2.735 0 40 DFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(F)cc1 7915497 SKFRTGSHVUSGEL-UHFFFAOYSA-N 319.361 2.590 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C[C@H](C)O1 32879072 WLMZRHKFBJTCGJ-QWRGUYRKSA-N 319.792 2.980 0 40 DFAB O=C1C[C@@H](n2cnc3ccccc32)C(=O)N1Cc1ccccc1 102223379 SVJBPAACHXNYTL-MRXNPFEDSA-N 305.337 2.537 0 40 DFAB COc1cc(CNC(=O)C(C)(C)C)ccc1OC[C@H]1CCCO1 32931013 IXPLLXFQUYKLIT-CQSZACIVSA-N 321.417 2.915 0 40 DFAB Cc1ccc(-c2cc(C(=O)NCc3c(C)nn(C)c3C)no2)cc1 2797587 KCUGBKORWOEFPX-UHFFFAOYSA-N 324.384 2.930 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cn3cc(C)ccc3n2)c1 12323755 GGMLMHJOHFLMSO-UHFFFAOYSA-N 308.341 2.853 0 40 DFAB COCCNC1=NC=N[C@H]2SC=C(c3ccc(C)cc3)[C@H]12 57369738 RGDGJMJVHWEICB-ZBFHGGJFSA-N 301.415 2.701 0 40 DFAB Cc1nc(C)c2c(N)c(C(=O)OCc3cc(C)on3)sc2n1 22977548 MQYJHIWPUDUIGA-UHFFFAOYSA-N 318.358 2.544 0 40 DFAB CCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21 1271168 ZOXFMZGYMPZXHD-UHFFFAOYSA-N 312.373 2.888 0 40 DFAB FC(F)(F)c1ccnc(NCc2cccnc2-n2cccn2)n1 24660724 KKMNOCZRFMTDPD-UHFFFAOYSA-N 320.278 2.688 0 40 DFAB CC(=O)c1cccc(NC(=O)COc2ncnc3ccccc23)c1 3267013 JKQFCFANKWFLRF-UHFFFAOYSA-N 321.336 2.850 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2-n2cncn2)c1C 25000280 NOFOSZSWKFHBMK-UHFFFAOYSA-N 323.356 2.667 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)Cc3ccco3)cn2)n1 25301177 UOGOLQWRRGJRQA-GFCCVEGCSA-N 324.384 2.838 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnccn1 3254858 PGEGHTUGVNGZGM-IPYPFGDCSA-N 320.389 2.637 0 40 DFAB COc1ccccc1[C@H]1C[C@H]1NC(=O)N(C)Cc1ccncc1 69740298 DQFGCWUWBBMXEB-HZPDHXFCSA-N 311.385 2.788 0 40 DFAB CN(C(=O)c1cc2ccccc2c(=O)[nH]1)C1Cc2ccccc2C1 56299776 LQSRMVDEPCOORW-UHFFFAOYSA-N 318.376 2.768 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1CCCOc1ccc(Cl)cc1 8129626 DQRLDNHDUCHWCL-UHFFFAOYSA-N 322.792 2.974 0 40 DFAB O=C1c2ccccc2C(=O)N1COC(=O)C1(c2ccccc2)CC1 8131856 SLOURGXBVKMRSS-UHFFFAOYSA-N 321.332 2.515 0 40 DFAB O=C(O)c1c[nH]c(=S)n(-c2ccc(Cl)c(Cl)c2)c1=O 20156293 FLWJSQANGJZLOE-UHFFFAOYSA-N 317.153 2.900 0 40 DFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CN2CCCC2)C1=O 58171363 GREZPDVPPOBBIK-IBGZPJMESA-N 323.396 2.660 0 40 DFAB CCOCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 58195805 MRMLSBIEFIWOPS-STQMWFEESA-N 312.207 2.705 0 40 DFAB CN(Cc1cc(=O)n2ccsc2n1)c1c(F)cccc1F 58193526 FAIPEXXNWCIYKW-UHFFFAOYSA-N 307.325 2.671 0 40 DFAB CC(C)c1noc(CS(=O)(=O)C/C=C/c2ccccc2)n1 44938089 IZCRXSQGUYEFPX-RMKNXTFCSA-N 306.387 2.821 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1cc(O)nc2ccccc12 10798431 WZQABFGRQGOSSA-KNTRCKAVSA-N 307.353 2.740 0 40 DFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccsc1 48235922 HSAHLVABLPJPDU-HNNXBMFYSA-N 314.410 2.842 0 40 DFAB Cc1cccc(C)c1OCC(=O)Nc1cnc2c(c1)c(C)nn2C 48237174 WBFUGQNKAJSKLX-UHFFFAOYSA-N 324.384 2.911 0 40 DFAB COc1cc(/C=C/C(=O)OCc2csc(C)n2)ccc1O 3417923 LRPJOPMDMWHDEC-GQCTYLIASA-N 305.355 2.922 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N4CCC(=O)CC4)c23)C1 3453189 WIQOZWNXINQNHO-JTQLQIEISA-N 301.415 2.985 0 40 DFAB CCc1c(C)sc2nc(COCC(F)(F)F)[nH]c(=O)c12 48412242 XFGCCTZBMIJDKK-UHFFFAOYSA-N 306.309 2.934 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1F 12906012 WJQAQPRDTAKHQK-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB CCOc1c(Cl)cc(C(=O)NC2=NCCS2)cc1OC 13006212 DXECBWDLKWDHIZ-UHFFFAOYSA-N 314.794 2.580 0 40 DFAB CCO[C@@H](C)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 69350292 WJGARTHFEDNFHS-AWEZNQCLSA-N 305.418 2.901 0 40 DFAB O=C(Nc1ccn(Cc2ccncc2)n1)C1(c2ccccc2)CC1 69352126 UOIDLOXCBWTOQG-UHFFFAOYSA-N 318.380 2.997 0 40 DFAB O=C(c1ccccc1)[C@@H]1Sc2nncn2N=C1c1ccccc1 8391810 BDDGKMLJLKUJRU-MRXNPFEDSA-N 320.377 2.888 0 40 DFAB CC(C)(C(=O)Nc1nc(CC(=O)O)cs1)c1ccccc1 13405394 WWEZATAYKQSVKE-UHFFFAOYSA-N 304.371 2.687 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1 69489780 UXDJITOLFLYQJH-SJORKVTESA-N 302.418 2.532 0 40 DFAB COc1cc(CNC(=O)c2nccc3ccccc23)ccc1O 60322024 SXCAKQBPROXDPY-UHFFFAOYSA-N 308.337 2.879 0 40 DFAB COc1cccnc1NC(=O)c1c(Cl)nc2ccccn12 65543259 VVALLFDDAINGPN-UHFFFAOYSA-N 302.721 2.644 0 40 DFAB CC1(C)CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CCO1 65549485 LHPOAIFOODBDRB-UHFFFAOYSA-N 319.792 2.777 0 40 DFAB Clc1ccc(-c2noc(CN3CC(n4cccn4)C3)n2)cc1 69538504 RBTSKSKGANKGKT-UHFFFAOYSA-N 315.764 2.643 0 40 DFAB COc1ccccc1Nc1cc(-n2ncc(C(C)=O)c2C)ncn1 5354288 UOUGPUBGJOCUBV-UHFFFAOYSA-N 323.356 2.926 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 18196646 HLFBZWAZGXZUSH-NXEZZACHSA-N 323.732 2.644 0 40 DFAB COC1CCN([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 8921346 IDTYQLBRHXOWLY-JTQLQIEISA-N 314.788 2.917 0 40 DFAB C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCNC1=O 68224607 FKZJQGVWXBFAAI-RISCZKNCSA-N 304.415 2.738 0 40 DFAB C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)N(C)C)[nH]1 93592668 SKSJIBAVTWHSSY-GFCCVEGCSA-N 315.392 2.975 0 40 DFAB COCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 19736133 ILOIEPUBODLQRB-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB Cc1c(C(=O)O)oc2c3c(c(Br)cc12)OCCO3 19737119 RPKZMRLNUJAGPP-UHFFFAOYSA-N 313.103 2.973 0 40 DFAB CCO[C@@H]1C[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1(C)C 89985614 QVEJEQFUXVVZIN-HZPDHXFCSA-N 320.433 2.677 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 96414622 UAUXZSINPATBCR-OAHLLOKOSA-N 306.450 2.818 0 40 DFAB CC(C)(O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 96496517 ZJJDBACQSMXVNI-MRXNPFEDSA-N 316.401 2.973 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@H]1Cn1cccn1 71866341 BHNYKBWILDPBKV-GOEBONIOSA-N 313.426 2.591 0 40 DFAB O=C(c1cc(Br)cs1)N1CCO[C@H]2CCC[C@@H]21 71835040 GCVCTEWJKMHBLD-UWVGGRQHSA-N 316.220 2.904 0 40 DFAB NCCCC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 97019177 LNBWIICSCPCRHZ-NSHDSACASA-N 317.216 2.712 0 40 DFAB C[C@H]1CN(Cc2cccc(NC(=O)c3ccc[nH]3)c2)C[C@@H](C)O1 72291712 MONDCKSQYAWDTE-OKILXGFUSA-N 313.401 2.876 0 40 DFAB Cc1cccc(Cl)c1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 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COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224696055 WAXXPQXZKAERAB-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB Cc1ccc(CS(=O)(=O)NCCOc2ccc(F)cc2)cc1 224171252 LTGXRMJCDIHXQL-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB C[C@@H](NCc1nnc(-c2ccccc2)o1)c1nnc2n1CCCC2 195570888 WLKYICIHXYMVRC-GFCCVEGCSA-N 324.388 2.515 0 40 DFAB Cc1ccc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)o1 192056059 DZYYAOWZGIAJIK-RDTXWAMCSA-N 301.386 2.948 0 40 DFAB CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)C1CC1 225715423 AMESPHCLBSYRDW-ZDUSSCGKSA-N 324.446 2.608 0 40 DFAB Cc1cc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n(C)n1 226753621 CAXJEMHYRUFPFP-UHFFFAOYSA-N 312.373 2.601 0 40 DFAB Cc1cnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1 96192726 XDMAVFRUFIUAST-HNNXBMFYSA-N 301.371 2.973 0 40 DFAB Cc1oc(CN2CCOC[C@@H]2c2ccccc2)cc1C(=O)O 581016972 MICBVSBDEGHKHO-MRXNPFEDSA-N 301.342 2.860 0 40 DFAB CC(C)(C)c1cc(NC(=O)N[C@H](CO)Cc2ccccc2)no1 96410636 QCUXIUCOOIPXEB-ZDUSSCGKSA-N 317.389 2.697 0 40 DFAB CCOC(=O)C1(NCc2nc(-c3ccco3)no2)CCCCC1 96424459 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CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(C)cc2)c2ccccc21 4993112 YLMJQBDZKXQZSI-SFHVURJKSA-N 324.380 2.598 0 40 DFAB CCOc1ncccc1C(=O)NC[C@@H](c1cccs1)N(C)C 32721210 LRFIVNHSCAKULK-ZDUSSCGKSA-N 319.430 2.575 0 40 DFAB COC(=O)c1cnc(NC(=O)CCCc2cccs2)s1 21865050 UAOVTVQZZBKMBN-UHFFFAOYSA-N 310.400 2.953 0 40 DFAB CCC1(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CCC1 89948176 YNHDQSWBSHGJSA-CJNGLKHVSA-N 312.479 2.921 0 40 DFAB CCOc1nn(CC)cc1C(=O)Nc1cccc(C(C)=O)c1 9070398 XFNLKHDNDMENGX-UHFFFAOYSA-N 301.346 2.757 0 40 DFAB CCCc1nnc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)s1 22746510 QICVZICSNROJFT-UHFFFAOYSA-N 318.402 2.898 0 40 DFAB Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 12481022 RNOYUXYDFGJNHA-UHFFFAOYSA-N 300.742 2.862 0 40 DFAB NC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3o2)c1 21409481 BONJCAZKXSMFRO-UHFFFAOYSA-N 311.297 2.675 0 40 DFAB O=C(NCCCNc1ncccn1)c1ccc(F)cc1Cl 42756847 PXDFSSMJQZKVHR-UHFFFAOYSA-N 308.744 2.501 0 40 DFAB C[C@@H](NC(=O)c1cn2cccnc2n1)c1cc2ccccc2o1 47519493 HCAKODNYQCYQOZ-LLVKDONJSA-N 306.325 2.967 0 40 DFAB 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2.748 0 40 DFAB O=C(COC(=O)Cc1cccs1)Nc1ccc2c(c1)CCC2 5786381 PVKNMDJESTZASA-UHFFFAOYSA-N 315.394 2.961 0 40 DFAB O=C(Nc1nccs1)c1ccccc1OC[C@H]1CCCO1 9049619 JTRSPUFBCVCXFB-LLVKDONJSA-N 304.371 2.953 0 40 DFAB COc1ccc(CN[C@H](C)c2nnc3ccccn23)cc1OC 15593735 LWDOVABJZAMUOB-GFCCVEGCSA-N 312.373 2.597 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c(s1)CC[C@@H](C)C2 68100868 RZFSCUTVPHJGLQ-WOPDTQHZSA-N 320.458 2.599 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)NCc1ccc(Cl)cc1 16865787 PDDKPNMDRMCUFX-MRVPVSSYSA-N 313.835 2.989 0 40 DFAB CCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 9361290 OBRQWWAJUXWJGJ-UHFFFAOYSA-N 300.358 2.631 0 40 DFAB Cc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 69484381 ARJFFGREUNLQKC-UXBLZVDNSA-N 321.424 2.861 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(CC)c1C 69491811 JEEMYDXPLXRQFC-HOTGVXAUSA-N 318.465 2.609 0 40 DFAB C[C@H]1C[C@H](N(C)CCc2ccc(Br)cc2)C(=O)O1 69584657 PHYXMEXNLYXCHT-GWCFXTLKSA-N 312.207 2.627 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 69621525 RPAWPKQCCUSFNS-KRWDZBQOSA-N 316.445 2.692 0 40 DFAB Cn1cc(C(=O)NCc2cn3ccsc3n2)c2ccccc21 75718115 UWNDLRVKSDTTRP-UHFFFAOYSA-N 310.382 2.818 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H]1Cn1cccn1 71866342 BHNYKBWILDPBKV-HOCLYGCPSA-N 313.426 2.591 0 40 DFAB COC[C@H](C)NC(=O)Nc1cccc(-n2nc(C)cc2C)c1 71922845 OVSHREYRFFVTBL-LBPRGKRZSA-N 302.378 2.646 0 40 DFAB O=C(COCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 9667286 SVIFPMQGEGXCCO-UHFFFAOYSA-N 320.295 2.559 0 40 DFAB COCCCCNc1cccc(C(=O)N2CCSCC2)c1 83902499 YVOMBZGTWODPMI-UHFFFAOYSA-N 308.447 2.714 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1c(-c2ccncc2)noc1C 97094945 ZZBBRKSQEMABPD-CHWSQXEVSA-N 302.330 2.769 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1 76042312 MYNWALCERLVYQH-NYHFZMIOSA-N 315.394 2.929 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@H]2CCCc3ccccc32)c(=O)[nH]1 72271211 TUNDTRLZKGAQQF-INIZCTEOSA-N 310.397 2.728 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCc1nncn1C(C)C 76996200 VBNKOIPHNBNMIE-CVEARBPZSA-N 312.417 2.630 0 40 DFAB O=c1cc(CSc2nc3cc(Cl)cnc3[nH]2)occ1O 84338575 WQPZFKZTZRXBOQ-UHFFFAOYSA-N 309.734 2.562 0 40 DFAB COC(=O)Nc1cccc(NCc2cnccc2N(C)C)c1 97376333 HBZHZUNCFLOJOO-UHFFFAOYSA-N 300.362 2.938 0 40 DFAB O=C(Cc1cccc(Br)c1)NCC(=O)c1ccco1 97372609 SGOPDTZZCSUPCC-UHFFFAOYSA-N 322.158 2.584 0 40 DFAB C[C@]1(CO)CCC[C@@H]1NC(=O)[C@H]1SCCc2sccc21 84673372 WWEWQXIAOSMNAV-KCQAQPDRSA-N 311.472 2.746 0 40 DFAB CCOC(=O)N[C@H](CN[C@H]1CCCc2nc(C)sc21)C1CC1 95422524 YBCLGARFXCDNTO-GXTWGEPZSA-N 323.462 2.943 0 40 DFAB Cc1ccccc1Oc1ccnc(CNC(=O)c2nccn2C)c1 95400922 DZJGVVRTFSSFBI-UHFFFAOYSA-N 322.368 2.846 0 40 DFAB Cc1[nH]ncc1CCCN[C@H](C)CC(=O)Nc1cccc(F)c1 95420031 QSICIAOWUZPTBW-GFCCVEGCSA-N 318.396 2.797 0 40 DFAB CN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCCCCC1 95469860 GIOBQJKRPPJTKG-UHFFFAOYSA-N 303.406 2.650 0 40 DFAB O=S(=O)(Nc1ccccn1)c1ccccc1-c1ccno1 95466403 WPLNJKUVPQSLPE-UHFFFAOYSA-N 301.327 2.537 0 40 DFAB CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2cnc(C)s2)C1(C)C 73868690 MSCWENXQIRGOJT-WFASDCNBSA-N 311.451 2.797 0 40 DFAB Cc1cc(CS(=O)(=O)c2ncc(C(C)C)n2C(C)C)no1 95988624 UQKSAMXYOFOVAB-UHFFFAOYSA-N 311.407 2.858 0 40 DFAB Cc1nc(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)sc1C 95995073 MVQPOJKTOWMLDF-LLVKDONJSA-N 311.451 2.905 0 40 DFAB Cc1nc(C)n(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)n1 95953005 YONNUFNLHGYBOF-AWEZNQCLSA-N 306.435 2.860 0 40 DFAB O=S(=O)(Nc1nc2c(s1)CCCCC2)c1cccnc1 79897410 MTMIXUVTSZVBKG-UHFFFAOYSA-N 309.416 2.608 0 40 DFAB O=C([C@H]1CCCS1)N1C[C@H](n2cccn2)Cc2ccccc21 75214701 AIXWEIOXSVITDQ-GDBMZVCRSA-N 313.426 2.909 0 40 DFAB Cn1cc(C(=O)Nc2cc(F)cc(F)c2)c(C(F)(F)F)n1 89749795 BEWZANWTPDQVCS-UHFFFAOYSA-N 305.206 2.969 0 40 DFAB C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@H](O)CC[C@@]13C 39095113 OLPSAOWBSPXZEA-DYXPHYEZSA-N 304.430 2.850 0 40 DFAB CC(C)(C)OC(=O)Nc1cccc(C2=CN3CCCN=C3N2)c1 521398833 HPTMUEZHUKKBNV-UHFFFAOYSA-N 314.389 2.997 0 40 DFAB CCOCCCNc1ccc(-c2ccc(OC)c(OC)c2)nn1 35315512 NUYQNJKCMLQGKY-UHFFFAOYSA-N 317.389 2.999 0 40 DFAB Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H](O)C1 43449172 KEOWXWUBDFNDSY-LLVKDONJSA-N 313.195 2.746 0 40 DFAB CCOCc1cccc(S(=O)(=O)NCc2ccccc2)c1 72241252 HCCKQKPRTQUBSR-UHFFFAOYSA-N 305.399 2.702 0 40 DFAB C[C@@H]1CCN(C(=O)CNCC(F)(F)F)[C@@H](c2ccco2)C1 75389775 YGOZAYWRIVMBRJ-GHMZBOCLSA-N 304.312 2.731 0 40 DFAB COc1cc(CN(CCO)Cc2cccc(C)c2)ccc1O 225670850 MWFHBXTYPQLRMJ-UHFFFAOYSA-N 301.386 2.704 0 40 DFAB COCCCNC(=O)c1snnc1-c1ccc(Cl)cc1 225768825 MWHHQARVABVMBJ-UHFFFAOYSA-N 311.794 2.625 0 40 DFAB O=C(O)C[C@H](CC(=O)Nc1cccnc1)c1ccc(F)cc1 226748950 VHQHICCDKRVSQB-LBPRGKRZSA-N 302.305 2.808 0 40 DFAB O=C(NC[C@@H]1CC[C@@H](O)C1)NC1CCC(C(F)(F)F)CC1 195578221 FAHDQYPIMQIJRZ-HBIQZDMRSA-N 308.344 2.568 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 45952588 CNIUKKUYXLZYGE-QMMMGPOBSA-N 302.157 2.909 0 40 DFAB O=C(Cc1cccs1)NCCCN1CCc2ccccc2C1 46239340 AHPNRUDFDOEQGD-UHFFFAOYSA-N 314.454 2.855 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2ncn(-c3ccccc3)n2)n1 96469038 UYPPIRATGQGIPS-NSHDSACASA-N 313.386 2.512 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1)NC[C@](C)(O)c1cnn(C)c1 91346310 VRADMVPFYHUMKB-WBMJQRKESA-N 307.825 2.502 0 40 DFAB C/C(=C/c1ccccc1)CNCc1cccnc1-n1cncn1 96403160 UTNIAJVUWZJHSR-GDNBJRDFSA-N 305.385 2.855 0 40 DFAB Cc1occc1C(=O)N1CCc2onc(COCC3CC3)c2C1 96085078 AIJQIHOZRXWNPK-UHFFFAOYSA-N 316.357 2.701 0 40 DFAB CC(C)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 514289495 MOIWNBNBUIHMCE-KBPBESRZSA-N 315.417 2.927 0 40 DFAB biogenic,in-vitro O=C(Nc1cccc(CN[C@H]2CCCSC2)c1)[C@H]1CCCO1 97370830 ZTWWOJFQTOZROF-JKSUJKDBSA-N 320.458 2.789 0 40 DFAB CCC[C@H](N)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 246045220 XOCVICUQYYPUGB-WBVHZDCISA-N 309.498 2.617 0 40 DFAB CCC(CC)C(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)s1 257293776 QRDWMVRCKMHPRM-LLVKDONJSA-N 309.435 2.732 0 40 DFAB CC(C)(C)OC(=O)CCSc1ncc(C(N)=O)cc1Cl 252499466 SBCULCRRZPTNRB-UHFFFAOYSA-N 316.810 2.658 0 40 DFAB CCCCN1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099804 BQYCJVGQLVBOGB-WMZOPIPTSA-N 308.466 2.813 0 40 DFAB Cc1nc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)co1 585280153 YJWTXCPFWOWZKC-RHSMWYFYSA-N 304.365 2.548 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)[C@H](C)c1ccc(F)cc1 48281922 DYPRVMHFHUCMNU-NWDGAFQWSA-N 318.348 2.757 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cs1 84272075 IJPFGXIOIIOBLW-LBPRGKRZSA-N 318.402 2.618 0 40 DFAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)nn1 585234312 HJAZQWFQQCINMU-CYBMUJFWSA-N 314.364 2.779 0 40 DFAB C[C@@H](NCCN1CCCC1=O)c1cccc(Br)c1 95984418 LQTFHPRPROIETH-LLVKDONJSA-N 311.223 2.722 0 40 DFAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1 5459662 DNIJHTXTABZFJZ-GFCCVEGCSA-N 303.333 2.918 0 40 DFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 5719828 IIRYMUBCFPYECA-UHFFFAOYSA-N 324.333 2.805 0 40 DFAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2)C1CC1 11695801 XUBCWIMSGZWDBH-UHFFFAOYSA-N 307.353 2.633 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNc1cn[nH]c(=O)c1Cl 167667302 ZWKVOGTUVQFCOB-NSHDSACASA-N 319.792 2.964 0 40 DFAB Cc1ccc(-c2nnc(CNC(=O)CC3CCCC3)o2)cn1 19215279 IMSOSRFXBMMKHU-UHFFFAOYSA-N 300.362 2.637 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)CSc2ccccc21 218779 OEWLZWFEALWBOX-QWHCGFSZSA-N 318.442 2.820 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2nc(C3CC3)ns2)C1 1889089370 MIAADPKOZYBFOP-GFCCVEGCSA-N 302.403 2.777 0 40 DFAB Cn1cnnc1C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 24695443 ZYQQHKWXTUPSCY-UHFFFAOYSA-N 322.771 2.627 0 40 DFAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)c(F)c1 29331579 KUPKLBIQZMFSCZ-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB CSc1nc(CN2CCC[C@H]2c2cccs2)cc(=O)[nH]1 32751426 HGTVHBVESZRYTP-NSHDSACASA-N 307.444 2.890 0 40 DFAB CO[C@@H](CNc1ncnc2c1ncn2C)c1ccc(Cl)s1 1776001475 VOCCIJNRQUQAOF-QMMMGPOBSA-N 323.809 2.878 0 40 DFAB CCn1ccnc1CN(CCCC(=O)O)Cc1ccccc1 575929012 KAYUGJAMHYNXMN-UHFFFAOYSA-N 301.390 2.770 0 40 DFAB CCCCCCC(=O)Oc1ccccc1C(=O)OCC(=O)O 2060999816 SSFMJVFSHJTNEE-UHFFFAOYSA-N 308.330 2.804 0 40 DFAB CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nnc(C)s1 52216 NFVLEUOAJIXNGV-SNVBAGLBSA-N 323.447 2.763 0 40 DFAB O=C(CSc1nnc(-c2cccs2)o1)Nc1nccs1 2720356 MTTVHOAKKMGKIM-UHFFFAOYSA-N 324.412 2.985 0 40 DFAB COC(=O)CSCC(=O)Nc1ccccc1C(F)(F)F 4263044 JSKNKFPNMIHMHB-UHFFFAOYSA-N 307.293 2.550 0 40 DFAB COC(=O)CCC(=O)Nc1ccc(C(=O)c2cccs2)cc1 12417593 HONIAYFQHBVIRL-UHFFFAOYSA-N 317.366 2.871 0 40 DFAB O=C(Cn1nnc2ccccc21)NC[C@@H]1CCCc2ccccc21 40059924 QJBNOQRAGAHYOU-HNNXBMFYSA-N 320.396 2.668 0 40 DFAB O=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 49185 UKEHKESLAWFLEM-LBPRGKRZSA-N 313.184 2.721 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 40156873 RUUWESAKNGMUKG-NEPJUHHUSA-N 320.458 2.614 0 40 DFAB O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCOCC1 40464635 JRIRQUCFFOAPEC-UHFFFAOYSA-N 308.790 2.936 0 40 DFAB O=C(NCc1ccco1)NC[C@H](c1ccco1)N1CCCC1 40474201 RQUYCRRSYCDSTC-CQSZACIVSA-N 303.362 2.509 0 40 DFAB COC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1 418620 LTGFSLHKLIKGPH-UHFFFAOYSA-N 308.359 2.531 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)NC1CCCCCCC1 45860808 NFSREBPLRHGXKH-UHFFFAOYSA-N 319.453 2.917 0 40 DFAB COC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 29649 OKRFFIAWGYSFKN-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB biogenic COc1cccc([C@@H]2CC(=O)Nc3n[nH]cc32)c1OCC(C)C 20715656 FCODRRRQPDUQIG-LBPRGKRZSA-N 315.373 2.927 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1ccc(C)cn1)c1cccs1 21383058 CBQKORQLDUABQI-GFCCVEGCSA-N 303.387 2.658 0 40 DFAB CCn1c(O)c(C(=O)Nc2cccc(C)n2)c(=O)c2ccccc21 6520098 YSLHHETZWFXGIH-UHFFFAOYSA-N 323.352 2.683 0 40 DFAB Cc1cc(NC(=S)NCCN(C)C)ccc1Br 7528508 FTESRKFRNZTFCR-UHFFFAOYSA-N 316.268 2.606 0 40 DFAB COc1ccc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 7778670 XZJKKKWPNGYKAC-UHFFFAOYSA-N 320.370 2.680 0 40 DFAB NC(=O)[C@@H]1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1 52392779 GIBDKARQOGLSKB-CQSZACIVSA-N 318.380 2.608 0 40 DFAB Nc1nc(N2CCOCC2)sc1Cc1cccc(Cl)c1 103700493 HWPBFPRZRZEWSH-UHFFFAOYSA-N 309.822 2.806 0 40 DFAB O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ccccc21 102378320 RTRABVBKKUXONU-NVXWUHKLSA-N 306.365 2.916 0 40 DFAB O=S(=O)(NC1CCCC1)c1ccc2c(c1)N=C(O)CS2 21527723 BFKPUXPITKKQBZ-UHFFFAOYSA-N 312.416 2.601 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 89917409 UHKBUHFSQKTTIH-TVJKQAJBSA-N 321.367 2.998 0 40 DFAB COc1ccc(CNCc2cccc3c2OCCCO3)cn1 47496125 OAAMVWJIQABZRZ-UHFFFAOYSA-N 300.358 2.541 0 40 DFAB O=C(NC1CCC(C(=O)O)CC1)c1cc(F)c(F)cc1Cl 37561487 VZZFROVUPOQKCF-UHFFFAOYSA-N 317.719 2.991 0 40 DFAB CN(CCCNc1cn[nH]c(=O)c1Cl)c1ccccc1F 54836637 RDVGNFGKZCIHHX-UHFFFAOYSA-N 310.760 2.501 0 40 DFAB O=C(Nc1nncs1)N1CCC([C@@H](O)c2ccccc2)CC1 43137890 NSMUTZLITKOWPE-ZDUSSCGKSA-N 318.402 2.516 0 40 DFAB Cc1ccccc1NCCC(=O)N[C@H](C)c1cnn(C)c1C 25004105 WWRDOKNJCXITCU-CYBMUJFWSA-N 300.406 2.716 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)N1CCCC[C@@H]1C 106646040 VTZWJHWIWUJOCV-ZNMIVQPWSA-N 317.433 2.836 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2cccc(C(N)=O)c2)C1(C)C 25333989 UIJJIGGCVMQFTF-HUUCEWRRSA-N 300.402 2.640 0 40 DFAB CCc1noc(C)c1C(=O)NCC(=O)Nc1ccc(Cl)cc1 56148028 YFZBELGVXHUKLQ-UHFFFAOYSA-N 321.764 2.567 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2 25769199 XEGQCWURMOMILA-UHFFFAOYSA-N 316.382 2.932 0 40 DFAB CS(=O)(=O)Nc1ccc(Nc2ncnc3sccc23)cc1 26710961 QHCGOBFFKUGZMV-UHFFFAOYSA-N 320.399 2.806 0 40 DFAB COc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c1 3217304 UECKNUQLNBTZFC-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB O=C(c1ccccc1)N1CCN(CCc2ccccc2F)CC1 62089594 LTYWUYQUEMDWLP-UHFFFAOYSA-N 312.388 2.826 0 40 DFAB COc1ccc2nc(C)c(C(=O)NCc3cccnc3)cc2c1 29899433 REUAHPOGMUTMFH-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB Cc1ccc(CNC(=O)CN2CCc3sccc3C2)cc1F 10107373 QLQPEHGZPFLKIT-UHFFFAOYSA-N 318.417 2.870 0 40 DFAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(N)=O 113960257 ZYNOILZQLWJZKI-AWEZNQCLSA-N 316.332 2.721 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1sc(C)nc1C)c1ccccc1 44891492 VJIOAUWHDOCBAF-CYBMUJFWSA-N 318.398 2.794 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CSC2=NCCS2)c1 8329278 JLOQHVUOOLEYQF-UHFFFAOYSA-N 324.427 2.556 0 40 DFAB CCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 12731032 UIECFMNRHKLGSJ-RDRICISKSA-N 302.418 2.901 0 40 DFAB COc1cccc(COc2ccc3nc4n(c(=O)c3c2)CCC4)c1 12898579 UDFZEXBWUUQUQB-UHFFFAOYSA-N 322.364 2.930 0 40 DFAB biogenic Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(F)cc1F 3448392 DDOPSRJDRQCQCW-UHFFFAOYSA-N 318.323 2.950 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)Cn1c(=O)n(C)c2ccccc21 12914832 YVZVFSFQYATHAY-AWEZNQCLSA-N 323.396 2.526 0 40 DFAB Fc1ccc(F)c(CNCc2nncn2-c2ccccc2)c1 48711635 LEBBJXOPFNKGAM-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CC(C)S(=O)(=O)c1ccccc1NC(=O)CC(F)(F)F 69656298 DARYLWPUNZBKDH-UHFFFAOYSA-N 309.309 2.760 0 40 DFAB CCOc1cc(CN(C)CC(C)(C)O)ccc1OC(F)F 69810769 MKEJANWZRZWISU-UHFFFAOYSA-N 303.349 2.889 0 40 DFAB Cc1ccnc2nc(C(=O)OCc3ccc(F)cc3Cl)nn12 20818816 YOYDKTBLTVYNPD-UHFFFAOYSA-N 320.711 2.582 0 40 DFAB C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1cccnc1 65452075 RVEXBYXSPUSOMG-VXGBXAGGSA-N 324.384 2.698 0 40 DFAB CC(C)CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1 65591565 GIBNREOFYDECIQ-UHFFFAOYSA-N 322.840 2.991 0 40 DFAB Cc1nc(NC(=O)NCCN2c3ccccc3C[C@H]2C)oc1C 65986514 JVYPCOMSWDDBTH-LLVKDONJSA-N 314.389 2.864 0 40 DFAB COc1ccc(C(=O)N[C@@H](c2n[nH]c(=S)n2C)C(C)C)cc1 4739085 PXWBIWDOMASCAA-GFCCVEGCSA-N 320.418 2.613 0 40 DFAB 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GGYSQROWSOXKEA-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB O=c1cc(CSc2ncc3ccccn23)nc2sccn12 24209855 NQJVZFXQYWFNME-UHFFFAOYSA-N 314.395 2.696 0 40 DFAB O=C(CNc1ccc(F)c(F)c1F)NCc1ccccc1F 24226618 OAEFAZLIQGMAOV-UHFFFAOYSA-N 312.266 2.971 0 40 DFAB O=C(O)C[C@H](CC(=O)NCc1ccco1)c1ccc(F)cc1 57634185 RDYABRYQYMCCJM-LBPRGKRZSA-N 305.305 2.684 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)NC1CCC(O)CC1 56528841 OZIFSOJNUYHOPU-FHERZECASA-N 320.433 2.673 0 40 DFAB Cc1nc2ccc(NC(=O)CN(C)C(=O)OC(C)(C)C)cc2o1 69417023 UZFPJYUVDNPOLU-UHFFFAOYSA-N 319.361 2.942 0 40 DFAB C[C@@H]1CCCN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1 10051533 OVKNOSRCPFUVMR-LLVKDONJSA-N 324.808 2.782 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(CC(N)=O)Cc2cccs2)o1 58167146 PZLOMQIHSBNYBK-SMDDNHRTSA-N 304.415 2.952 0 40 DFAB Cc1ccc(C)c([C@H]2CN(Cc3nnc(C)o3)[C@@H](C)CO2)c1 110641169 PJDFZTYDFCFTDU-XJKSGUPXSA-N 301.390 2.957 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cn1 44895920 VPIQXJJZRJBFBP-MRXNPFEDSA-N 324.359 2.782 0 40 DFAB CCn1cc(CNC(=O)Nc2cc(Cl)ccc2OC)cn1 27918809 LVMLALWHIQPRDU-UHFFFAOYSA-N 308.769 2.887 0 40 DFAB C[C@@H](NC(=O)Cc1ccccc1C(=O)O)c1nc2ccccc2[nH]1 44980531 MGPLYGAUELUABC-LLVKDONJSA-N 323.352 2.681 0 40 DFAB Cc1csc(CNC(=O)NC[C@@H](C)N(C)c2ccccc2)n1 44952910 SPYQWVGYAJDSGM-CYBMUJFWSA-N 318.446 2.776 0 40 DFAB Cn1c(SCCO)nc2scc(-c3ccccc3)c2c1=O 12622754 XGXCZZVZFBRIQE-UHFFFAOYSA-N 318.423 2.746 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H]1CCCc2ccccc21 8425154 MNAVWFYFJXIABV-CYBMUJFWSA-N 323.352 2.632 0 40 DFAB c1csc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)co2)c1 69601131 LASOOKSFVAGEIB-CYBMUJFWSA-N 315.402 2.659 0 40 DFAB CC(C)OC[C@@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 89887782 GKZNWPOODQMIQJ-HNNXBMFYSA-N 317.433 2.528 0 40 DFAB CCOC(=O)CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13329991 IFQBERFTJKVBOD-QMMMGPOBSA-N 319.188 2.917 0 40 DFAB Cc1cc([C@@H]2CCCN2Cn2cc(Br)cn2)on1 49320055 LGOHAEIZIXAFIJ-NSHDSACASA-N 311.183 2.737 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(F)c1 4121560 HRXCAXZONNLVGJ-UHFFFAOYSA-N 300.289 2.762 0 40 DFAB Cc1ncc(C(=O)Nc2cccnc2N2CCSCC2)s1 65515094 CXQCSKYZHNMHLL-UHFFFAOYSA-N 320.443 2.652 0 40 DFAB CC(C)(C)c1nc(CC(=O)NCCCN2CCCC2)cs1 65608918 OHYDMBMLICQVMQ-UHFFFAOYSA-N 309.479 2.585 0 40 DFAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccco1 7281129 UAYNWIDIWIPRFG-LLVKDONJSA-N 320.418 2.567 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1ccsc1 8939376 XKLXSFUJJLUVPV-UHFFFAOYSA-N 305.355 2.942 0 40 DFAB C[C@@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1 8924739 OVXRTNREWNMZDO-GHMZBOCLSA-N 321.402 2.722 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1F 7708582 IJHRDFDPVVVITM-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C)c(C)c1)C2 71185564 IHNLZFZTBBVUGL-CVEARBPZSA-N 324.428 2.603 0 40 DFAB CNC(=O)c1ccc(NC(=O)N[C@H]2C=CCCC2)c(Cl)c1 93097946 WGGVZJBXLQPQMT-NSHDSACASA-N 307.781 2.930 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2F)c1 9112258 PGNGSMRSVBPZRM-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)n1 70009530 SDJCCUTUPUFNJJ-RCCFBDPRSA-N 324.428 2.690 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2nc(C3CC3)no2)n1 70006100 ZCQOBOISZVPGLL-OAHLLOKOSA-N 315.421 2.815 0 40 DFAB Cc1noc(CCC(=O)Nc2ccc(Br)cc2)n1 19816456 CSWVDRHMXFQDPU-UHFFFAOYSA-N 310.151 2.712 0 40 DFAB Nn1c(SCc2ccccc2F)nc2cc(F)ccc2c1=O 71768815 MIEJRTNKSCTPON-UHFFFAOYSA-N 319.336 2.681 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)N1CCO[C@@H](C)[C@H]1C 96476985 AAQLPIKUTDZDML-CABCVRRESA-N 320.433 2.930 0 40 DFAB O=C(Cc1cccnc1)N[C@@H](Cc1ccccc1)C(F)(F)F 89830090 KGSVSBDPKMXUBS-AWEZNQCLSA-N 308.303 2.914 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccoc2)c1C 9517028 SQRUNSRURZPKPS-NSHDSACASA-N 303.314 2.855 0 40 DFAB COC1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 71889252 VDUPGFFPLXYKHH-UHFFFAOYSA-N 316.405 2.572 0 40 DFAB COc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(OC)c1 71877728 SZVPHDHXEKCQSV-UHFFFAOYSA-N 303.358 2.918 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCO[C@H](C)C1 9853820 WZADJTHERMANDP-LLVKDONJSA-N 319.792 2.695 0 40 DFAB NC(=O)c1ccnc(NCc2ccc(Br)cc2F)c1 71894567 YHESJUMRQGQECD-UHFFFAOYSA-N 324.153 2.694 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1 83858956 SMJFPNDQHRLZJQ-ZDUSSCGKSA-N 302.201 2.765 0 40 DFAB COC(=O)c1ncccc1N1CCC[C@H](c2nccs2)C1 97047780 XMPAKYKMUNDWRR-NSHDSACASA-N 303.387 2.709 0 40 DFAB COc1c([C@H]2CCCN2Cc2nc(C)c(C)o2)c(C)nn1C 72253791 VUUFMINAKJCMFB-CYBMUJFWSA-N 304.394 2.679 0 40 DFAB Cc1nscc1C(=O)O[C@H](Cn1cncn1)c1ccccc1 97138772 ATTSIZLRRXQVIW-CQSZACIVSA-N 314.370 2.641 0 40 DFAB Cc1nc(CN2CCc3ccccc3[C@H]2C(=O)O)sc1C 94969327 SLJUNRRIIZZAKX-HNNXBMFYSA-N 302.399 2.944 0 40 DFAB CC(C)n1ccc(C(=O)OCc2cncc(Br)c2)n1 95396301 VNLMNHLWXNFKMO-UHFFFAOYSA-N 324.178 2.979 0 40 DFAB CCCOc1ccc(OCC(=O)N[C@H](CC)C[C@H](C)CO)cc1 84758570 CMDNBPSIRHTRQJ-LSDHHAIUSA-N 323.433 2.768 0 40 DFAB C[C@H]1CCC[C@H](N2CCC(NCCCn3cccn3)CC2)C1 95419819 PCSSIBZRKBXHJJ-WMZOPIPTSA-N 304.482 2.906 0 40 DFAB CN(OCc1ccccc1)C(=O)NCCCOCc1ccco1 95467185 WKGUZLKDKPFTHX-UHFFFAOYSA-N 318.373 2.960 0 40 DFAB CCC(C)(C)C(=O)Nc1cc(Br)c(=O)n(C)c1 88214185 CBRXRJLYTPSPMF-UHFFFAOYSA-N 301.184 2.523 0 40 DFAB CC(=O)N(C)Cc1ccccc1NCc1nccn1C(F)F 85272040 WEXFKQALYUMKTM-UHFFFAOYSA-N 308.332 2.869 0 40 DFAB CCC[C@@H]1CCc2ccccc2N1CC(=O)NC[C@@H]1CCOC1 79106863 JCSNPAYTXHITCN-DOTOQJQBSA-N 316.445 2.761 0 40 DFAB Cc1ccc(N(C(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 95958461 VZSJMFVNTCYXDF-AWEZNQCLSA-N 309.431 2.561 0 40 DFAB c1ccc(-c2nc([C@@H]3CN(Cc4ccccn4)CCO3)no2)cc1 95999850 IQUDFSSGESNJKY-INIZCTEOSA-N 322.368 2.705 0 40 DFAB O=c1ccc(-c2ccco2)nn1CN1CC[C@H](c2ccccc2)C1 79480251 MDDYTBRGWGCHEN-INIZCTEOSA-N 321.380 2.950 0 40 DFAB CCC[C@@](C)(CO)NC(=O)Nc1cc(F)ccc1-n1cccn1 75094221 OSHDBKUOOCCPKL-INIZCTEOSA-N 320.368 2.684 0 40 DFAB COc1ccc(-c2cccc3nc([C@H]4CNCCN4C)cn23)cc1 306138257 RTPQGUTZNBJFBF-GOSISDBHSA-N 322.412 2.586 0 40 DFAB Cc1ccc(Cn2ccc(NC(=O)c3n[nH]cc3Cl)n2)cc1 28229499 DAPCEFBBOSIASG-UHFFFAOYSA-N 315.764 2.869 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)cc1 38666526 OMUBRJZXKVZCBA-ZDUSSCGKSA-N 317.414 2.875 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)c1 529061065 DCGLJTFDYILPAO-OAHLLOKOSA-N 324.384 2.647 0 40 DFAB CN(C)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1 32914646 KPAQSOIKKRYLSB-UHFFFAOYSA-N 302.349 2.701 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 72239249 OIJUBRMQABNEML-UHFFFAOYSA-N 301.318 2.543 0 40 DFAB CCn1c(CN2CCCC[C@H]2CCO)nc2c(F)cccc21 78922881 MOHXNLCZKNOJMZ-ZDUSSCGKSA-N 305.397 2.932 0 40 DFAB O=C(Cc1ccc(Br)s1)NCc1nccs1 72564465 NJHFOISDAYHDGI-UHFFFAOYSA-N 317.233 2.826 0 40 DFAB CSc1ccc(N2C[C@H](C(=O)NC(C)(C)C)CC2=O)cc1 43565308 XXCAAZNMGHTXKD-LLVKDONJSA-N 306.431 2.676 0 40 DFAB COc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCC(C)C)cc1 49466751 ZQBPRWDCLKIWKB-GOEBONIOSA-N 305.374 2.716 0 40 DFAB CC(C)(Oc1ccc(F)cc1)c1nc(-c2cnccn2)no1 191591334 SQQLXWBGBFXYJW-UHFFFAOYSA-N 300.293 2.980 0 40 DFAB COc1ccc(CCCNC(=O)COc2ccc(F)cc2)cc1 222782418 ADEPNDMWNOOPOP-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB CC(C)Oc1c(I)cc(F)cc1C(=O)O 225278011 BXPCMQBOHRNFMQ-UHFFFAOYSA-N 324.089 2.916 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 223269951 BPZYLKGSUYHWFK-NFAWXSAZSA-N 309.431 2.779 0 40 DFAB Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccs3)C2)o1 96064958 FSEPMHOHFIUJJJ-MRVWCRGKSA-N 305.403 2.587 0 40 DFAB Nc1cc(Br)c(I)cc1F 97437882 NMGNLDOPTLKGSD-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H](C)C3)CC(=O)N2C)cc1 96181361 YTJPHJQZSFEKPW-YXJHDRRASA-N 314.429 2.773 0 40 DFAB CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc[nH]c2)c1 96493026 MQBTZQONERCBLG-UHFFFAOYSA-N 300.358 2.900 0 40 DFAB CC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1nccs1 95438100 LGONSBXBGDWMSQ-GFCCVEGCSA-N 319.434 2.555 0 40 DFAB Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2CO)cc1OC(F)F 96434926 XCHOEKBNTONAQQ-JQWIXIFHSA-N 314.332 2.879 0 40 DFAB CCCc1ncc(C(=O)NCCC(=O)N2CCCCCC2)s1 96426331 PTYWDZKFJYTCCY-UHFFFAOYSA-N 323.462 2.618 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NC[C@H](O)c1cccs1 96415536 SJHLYVVEERZNAD-FZMZJTMJSA-N 322.405 2.851 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)c2cc(F)ccc2C)c(C)o1 96437500 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CCOc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1 69528671 ZMSPUUJIVVWXDO-ZWKOTPCHSA-N 316.445 2.713 0 40 DFAB NC(=O)c1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1 69789480 KUFSYURXNBYQOE-UHFFFAOYSA-N 314.772 2.858 0 40 DFAB OC12C[C@H]3C[C@H](C1)CC(NCc1ccc4c(c1)OCCO4)(C3)C2 100243299 SESUXNFRMIPYAU-GKVPXEHWSA-N 315.413 2.631 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)O 5284837 WAEPDNYXAXFIPD-ZDUSSCGKSA-N 320.389 2.510 0 40 DFAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc(OC)cc1 164930885 XNYLUFKZTKWEEN-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB Cc1ccc(C)c(C(=O)NCC2CCN([C@H]3CCOC3)CC2)c1 575606808 MGJZGJVLXRHXKL-KRWDZBQOSA-N 316.445 2.534 0 40 DFAB COc1ccc(/C=C/C(=O)O[C@H]2CCCCC2=O)cc1OC 3290553 DSGKSJVZUNNPEQ-PLWJUESGSA-N 304.342 2.772 0 40 DFAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(-n2cccc2)cc1 5702804 DHLPFDFISCBZLK-AWEZNQCLSA-N 314.385 2.939 0 40 DFAB Cc1cnccc1OCC1CCN(C[C@@H]2CCCOC2)CC1 1889072787 YLEGOGJTHMSNGC-KRWDZBQOSA-N 304.434 2.907 0 40 DFAB Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)C(C)C)CC1 24637031 QDEWJFUZPBVYBJ-UHFFFAOYSA-N 306.381 2.967 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)NCc3ccccc3)ccc21 22506811 NFYRYNZROLZKNK-UHFFFAOYSA-N 309.369 2.917 0 40 DFAB COCCNc1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1 9074569 JIQMCMYXVKABPU-UHFFFAOYSA-N 324.388 2.839 0 40 DFAB Cc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 7405619 HGGRMCZKPQNVSA-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CS(=O)(=O)c1ccc(Cl)c(NC[C@H]2CCC=CO2)c1 50268171 AFYBFQHPXHHVFW-SNVBAGLBSA-N 301.795 2.848 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C 40463314 FCHOQQSTJCPPDO-UHFFFAOYSA-N 304.394 2.894 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)c1)NCc1ccco1 40549210 FWTQAXVQUSSKGZ-UHFFFAOYSA-N 314.389 2.664 0 40 DFAB CCCc1n[nH]c(SCC(=O)Nc2cccnc2Cl)n1 11463709 HHYQGBOLWWDCBP-UHFFFAOYSA-N 311.798 2.536 0 40 DFAB O=C(NC(=S)Nc1ccccc1F)c1ccc2c(c1)OCO2 557406 HIOIQBAUHYGGAW-UHFFFAOYSA-N 318.329 2.681 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc(O)c(C(=O)OC)c1 1006509 MXRFPLGEFWSZHA-UHFFFAOYSA-N 315.325 2.830 0 40 DFAB COc1ccc(-c2csc(N3CCC[C@@H](C(N)=O)C3)n2)cc1 1013295 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COC(=O)CCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 43085963 IBCJBQWRGZFBSO-NSHDSACASA-N 313.806 2.946 0 40 DFAB CCCc1nc(NCCN(CC)CC)c2c(n1)c(C)nn2CC 57355858 ZLKFHTWIJIBISU-UHFFFAOYSA-N 318.469 2.861 0 40 DFAB COc1cc(CC(=O)NC2CCCCC2)cc(OC)c1OC 58165228 SJRDXXZZYFMCKQ-UHFFFAOYSA-N 307.390 2.704 0 40 DFAB COCCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20106838 OPWQKVVWTKITKZ-OAHLLOKOSA-N 304.434 2.685 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cccc(C(N)=O)c2)C1(C)C 25333987 UIJJIGGCVMQFTF-CABCVRRESA-N 300.402 2.640 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccccn1 55944265 WOQGAINYOPGJCR-JKSUJKDBSA-N 300.333 2.871 0 40 DFAB CCCN1CCN(CC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 22876421 KAAOVTYXXDMNGZ-AWEZNQCLSA-N 323.868 2.545 0 40 DFAB CCOc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 3339505 VZSAYFQVOWJMJZ-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1 1941331 KMXYXRMGDOEZNZ-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB CC1CCC(C)(NC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 58201206 AMAPEIXSCZKUIV-CSLYMUCUSA-N 316.449 2.778 0 40 DFAB COc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cn1 58270522 XFFRAIOPGFSXTC-HUUCEWRRSA-N 300.333 2.996 0 40 DFAB C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccn1 44909867 DEMPWUYPKXUFGE-WFASDCNBSA-N 318.446 2.806 0 40 DFAB C[C@@H](NC(=O)NCc1ccc(-n2cccn2)nc1)c1ccccc1 45114661 TWXCCBDAYZUOHR-CQSZACIVSA-N 321.384 2.828 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 10641761 SHHFBBXRMLOZNF-HNNXBMFYSA-N 308.337 2.954 0 40 DFAB Cn1cnnc1SCc1noc(-c2ccccc2Cl)n1 12779753 QEKOXFNGOXIDGQ-UHFFFAOYSA-N 307.766 2.811 0 40 DFAB Cc1nc(S[C@@H](C)C(N)=O)c2c3c(sc2n1)CCCC3 3495438 HWBXZPSQQBTGAK-ZETCQYMHSA-N 307.444 2.844 0 40 DFAB Cc1ccn2cc(C(=O)NCc3ccc(OC(C)C)nc3)nc2c1 48515993 CQIWNJJYJNMCKZ-UHFFFAOYSA-N 324.384 2.755 0 40 DFAB c1ccc(-c2cc(CN3CCC[C@@H]3Cn3cncn3)on2)cc1 69484669 DXUATWNZNYHJGX-OAHLLOKOSA-N 309.373 2.598 0 40 DFAB COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1 82049858 CTJXKCPBMVLOQI-UHFFFAOYSA-N 313.438 2.567 0 40 DFAB in-vitro O=C(O)C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 13177047 HRSPFERUSHJKOF-HNNXBMFYSA-N 319.307 2.840 0 40 DFAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2C)ccc1OC 8718339 LYSKQCYUXCXKAS-KRWDZBQOSA-N 312.369 2.972 0 40 DFAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 409188315 GKJFWISVRNFJKE-UXBLZVDNSA-N 315.156 2.915 0 40 DFAB Cc1cc(C)c2cc(C(=O)N[C@H](C)CN3CCCC3=O)[nH]c2c1 65595403 CXEXEQWCQPITFI-CYBMUJFWSA-N 313.401 2.525 0 40 DFAB O=C(NCc1ccco1)N(Cc1ccncc1)Cc1cccnc1 67718637 ZOFNQQIBSXYQGZ-UHFFFAOYSA-N 322.368 2.982 0 40 DFAB COc1ccccc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8131200 OQCRZDFAYAKBEJ-YVEFUNNKSA-N 302.374 2.696 0 40 DFAB Cn1nccc1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 96003019 DDLOOEQFLCNMBF-AWEZNQCLSA-N 313.405 2.539 0 40 DFAB C[C@H](NCC(=O)Nc1ccccc1F)[C@H]1COc2ccccc21 96014159 QDGBVAJBWHNQSY-GXTWGEPZSA-N 314.360 2.919 0 40 DFAB O=C(c1cccc(Br)c1Cl)N1CCC[C@@H]1CO 96004016 TUYVKVLKGOTZRJ-MRVPVSSYSA-N 318.598 2.699 0 40 DFAB C[C@@H](C[S@](C)=O)N(C)c1nc(C(F)F)nc2ccccc12 96011431 FOTQOCXIUNFWHR-JLTPVHFHSA-N 313.373 2.771 0 40 DFAB COc1cccnc1N(C)C(=O)c1cnc([C@H]2CCCO2)s1 89832384 YELGWVCAWVDNEP-LLVKDONJSA-N 319.386 2.675 0 40 DFAB COC(=O)N1CCC(N[C@H](C)c2ccccc2N(C)C)CC1 93943048 HTJZFCVYIDYUFI-CYBMUJFWSA-N 305.422 2.634 0 40 DFAB CCc1cc(CN[C@@H](C)CC(=O)Nc2ccc(OC)cc2)on1 96478226 ZYRGGOBMSMZXLQ-LBPRGKRZSA-N 317.389 2.753 0 40 DFAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C 71830026 KXTKSOKBGMDZNO-IAGOWNOFSA-N 314.429 2.835 0 40 DFAB O=C(CCCc1cccs1)N1CCC[C@@H]1Cn1cccn1 71866202 ZJFIOHFGMADZDR-CQSZACIVSA-N 303.431 2.959 0 40 DFAB C[C@@H](c1ccc(F)cc1F)N1CCN([C@H]2CCCN(C)C2)CC1 71909032 PRERJOMIHIBBEO-HOCLYGCPSA-N 323.431 2.738 0 40 DFAB C[C@@H](Sc1n[nH]c(N)n1)c1nnc(-c2cccc(Cl)c2)o1 9607269 OGIXLXBINQVFAA-ZCFIWIBFSA-N 322.781 2.944 0 40 DFAB CCc1nnc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)n1C 97081918 ASYYSCRJQIGPSI-CYBMUJFWSA-N 324.432 2.722 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N(C)c2nccs2)cc1 76061142 VTZGWYHJDOVWOO-UHFFFAOYSA-N 314.370 2.818 0 40 DFAB c1ccc(Cc2nccc(N3CCC(n4ccnn4)CC3)n2)cc1 97145433 ZBDLMCVXHXSFEW-UHFFFAOYSA-N 320.400 2.500 0 40 DFAB COc1ccc(NC(=O)NC2Cc3ccccc3C2)cc1OC 97140858 MVPMNGNCMRZMQX-UHFFFAOYSA-N 312.369 2.993 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2[nH]ccc12 84714929 DZFRLYAWKSXVKP-GUYCJALGSA-N 311.429 2.905 0 40 DFAB C[C@H]1OCC[C@H]1[S@](=O)Cc1csc(-c2ccccn2)n1 110693051 FEYNKBZKVIZKDC-MZJFNTNISA-N 308.428 2.631 0 40 DFAB COc1ccccc1C1(CNc2nccn3c(C)nnc23)CC1 95405407 QHTCDBAGNZAOCL-UHFFFAOYSA-N 309.373 2.585 0 40 DFAB NC(=O)c1ccnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c1 95407754 VQRJAAQXYXVDCN-ZDUSSCGKSA-N 322.368 2.706 0 40 DFAB Cc1ccccc1C(=O)Nc1cc(Br)c(=O)n(C)c1 88214268 IXJHYPDOLRHKQA-UHFFFAOYSA-N 321.174 2.709 0 40 DFAB C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1cccnc1 95980952 PGGWLSDTTDLUAV-LBPRGKRZSA-N 300.333 2.541 0 40 DFAB Cn1ccnc1CN1CCN(c2ccc(F)cc2Cl)CC1 95975552 OMRSDLBLWRBIPV-UHFFFAOYSA-N 308.788 2.535 0 40 DFAB C[C@H]1C[C@@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 79944938 OVVNCKWHYWMQLW-RDJZCZTQSA-N 314.429 2.850 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1nccs1 75130492 QWNPPYYRNZCCEM-ZDUSSCGKSA-N 318.446 2.790 0 40 DFAB CCC1(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCC1 75106960 QNZRJGVXBDCCAO-KRWDZBQOSA-N 316.445 2.756 0 40 DFAB Cc1ccc(O)c(CNc2ccccc2OCCn2ccnc2)n1 89626785 VFRMEURHMGJFCF-UHFFFAOYSA-N 324.384 2.983 0 40 DFAB Cc1nnc2ccc(NC[C@H]3C[C@@]34CCc3ccccc34)nn12 89740963 GYFWOOVIFUAVQO-KDOFPFPSSA-N 305.385 2.749 0 40 DFAB O=C(CCC1CCCC1)N1CCN(Cc2ccncc2)CC1 20534607 FIIGPNRADMTTHB-UHFFFAOYSA-N 301.434 2.696 0 40 DFAB Cn1ccnc1[C@@H](NC[C@H]1COC2(CCCCCC2)O1)C1CC1 128817998 ZLZNOMCUKUZXCM-HOTGVXAUSA-N 319.449 2.927 0 40 DFAB CN(C)c1ncccc1NS(=O)(=O)c1ccccc1Cl 120985749 FZUTZKFUKLVDIY-UHFFFAOYSA-N 311.794 2.602 0 40 DFAB O=C(NCCN1CCCCC1)c1ccc(N2CCCC2)cc1 408676301 HJCHZHJIPKKHGY-UHFFFAOYSA-N 301.434 2.503 0 40 DFAB COC(=O)[C@H](C)[C@@H](NC(=O)c1ccncc1F)c1ccccc1 79645851 UQAWMKCTNDAJFF-IAQYHMDHSA-N 316.332 2.501 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 72203764 AFZZIWVEILZZEB-LLVKDONJSA-N 313.785 2.908 0 40 DFAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1COCCO1 76921557 FUODBJKKASXHGX-RHSMWYFYSA-N 303.402 2.792 0 40 DFAB Cc1cc(S(=O)(=O)N(C)Cc2nccs2)sc1Cl 188074408 BXQDEDPRYHOHEO-UHFFFAOYSA-N 322.864 2.987 0 40 DFAB Cc1cc([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c(C)s1 76713645 BABANMRKCRETIT-LLVKDONJSA-N 319.430 2.566 0 40 DFAB CC(=O)N1CC[C@H]1c1cc(N(C)C2CCCCC2)nc(C)n1 72386533 MRBUSHPPIQYXRD-INIZCTEOSA-N 302.422 2.847 0 40 DFAB CCN(CC)CCCNC(=O)c1cc(-c2cccs2)[nH]n1 32610902 LBUAPVJJQRVZFZ-UHFFFAOYSA-N 306.435 2.600 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NCCO 79408158 UHJHANOEUGMEIA-ZIAGYGMSSA-N 300.443 2.525 0 40 DFAB Cc1nnc(C(=O)N2CCC(COc3ccccc3)CC2)s1 185378320 IKCFHHJVVBGMMT-UHFFFAOYSA-N 317.414 2.778 0 40 DFAB COc1ncccc1CNC(=O)CCOc1ccc(C)cc1C 30303965 NMIWIJGDUXKIOB-UHFFFAOYSA-N 314.385 2.792 0 40 DFAB CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241953 FWXLWFXOBOVSNE-HOCLYGCPSA-N 306.381 2.507 0 40 DFAB CC[C@H](C)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 521395118 LTHLDCJEYNFJJV-GARJFASQSA-N 318.464 2.574 0 40 DFAB Cc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)n(C)n1 225756940 CAZTWTHQKUOIAV-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CC(=O)Nc1ccc(C(=O)NC[C@H]2COc3ccccc32)cc1 74911655 PZBIEGWGPIBJQH-AWEZNQCLSA-N 310.353 2.551 0 40 DFAB Cc1cc(C)n(-c2ncc(NC(=O)CCc3ccccc3)cn2)n1 75161648 VHFWLESFHIIICY-UHFFFAOYSA-N 321.384 2.850 0 40 DFAB CNC(=O)CCCC(=O)NCc1cc2c(s1)CCC(C)(C)C2 195571847 RGCCRZNUPJMNJZ-UHFFFAOYSA-N 322.474 2.796 0 40 DFAB CCc1cnc(CN(C)C(=O)NCCc2csc(C)n2)s1 83184870 XZRIPMZXRMGCIM-UHFFFAOYSA-N 324.475 2.855 0 40 DFAB CC(C)(C)[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1ccccc1 195543199 RMLCTUKYYYVCPD-RDJZCZTQSA-N 304.434 2.659 0 40 DFAB Cc1nc([C@@H]2C[C@@H]3CCN(Cc4cc(C)c(C)o4)C[C@H]3O2)no1 96046411 SBVOBGUVCMLRBV-CWRNSKLLSA-N 317.389 2.940 0 40 DFAB Cc1cccc(OC2CCN(C(=O)c3csc(C)n3)CC2)n1 96119474 COHASJIOUYUQQQ-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB O=C(N1CCS(=O)CC1)C1(Sc2ccccc2)CCCC1 96408440 KSVHBOIVGCQCMS-UHFFFAOYSA-N 323.483 2.682 0 40 DFAB CCc1nc([C@@H](C)NCC(=O)Nc2nc(C)cs2)cs1 97374449 UBQCBVQRJPTXCL-SECBINFHSA-N 310.448 2.760 0 40 DFAB COC(=O)NCC(=O)N(C)C1c2ccccc2-c2ccccc21 96448318 IWDKSRHPBXAADS-UHFFFAOYSA-N 310.353 2.571 0 40 DFAB COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1Cl 96735790 VZGNXELVWQZJNP-UHFFFAOYSA-N 316.744 2.948 0 40 DFAB Cc1nc(CO[C@@H]2CN(CC3CC3)[C@@H]3CCCO[C@H]23)cs1 96058125 KLWFGQRCPBQAHL-OAGGEKHMSA-N 308.447 2.610 0 40 DFAB Cc1cc(NC(=O)CN[C@H](C)c2cccc(C)c2C)n(C)n1 96491886 IFCGZZVOJOJRRQ-CQSZACIVSA-N 300.406 2.635 0 40 DFAB O=C(C1=CCCC1)N1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96046275 YIAKYUQZVDROPO-MELADBBJSA-N 304.415 2.932 0 40 DFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCOC1 96431383 DRNAVWXIVKVNKO-GFCCVEGCSA-N 306.793 2.907 0 40 DFAB CC[C@H](OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 253373948 KRRYYKWWKBFUNM-ONIAQPFYSA-N 307.434 2.624 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257204990 AXDNNOQDFFVWDI-HNNXBMFYSA-N 303.406 2.534 0 40 DFAB CC(C)(C(=O)N1CC[C@H](CN2CCCCC2)C1)C1CCOCC1 253430912 OTDNDBMIMBZZRB-MRXNPFEDSA-N 322.493 2.774 0 40 DFAB O=C(c1cscn1)N1CCCC[C@H]1c1ccn2nccc2n1 257339657 ZCQUZVWOWSNAEP-ZDUSSCGKSA-N 313.386 2.553 0 40 DFAB O=C1CCCCN1Cc1nc(-c2cnc3ccsc3c2)no1 273763370 BGFZFRYOADFWMN-UHFFFAOYSA-N 314.370 2.859 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)NCc2ccccc2)cc1 96103290 CMOMVBGCMILWEZ-MRXNPFEDSA-N 316.426 2.941 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)N(C)C[C@H]2CCCO2)o1 69033650 IGNYFANZXYPLIW-GFCCVEGCSA-N 316.361 2.688 0 40 DFAB C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(Br)c1 95940831 DCHKYDOCUVJIAV-QFYYESIMSA-N 304.253 2.648 0 40 DFAB COCCOc1cc(C(=O)Nc2cccc3cccnc23)ccn1 182435306 SBHXHNCFGDFUSG-UHFFFAOYSA-N 323.352 2.907 0 40 DFAB Cn1nc(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2)cc1C(F)F 1548449057 WHAWDBODLCWJAW-KLPPZKSPSA-N 321.327 2.698 0 40 DFAB O=C(COC(=O)c1ccccc1O)Nc1cccc(Cl)c1 5078532 QOPACYLMBUACKU-UHFFFAOYSA-N 305.717 2.841 0 40 DFAB CC(=O)N1CCC(C[C@H](O)Cc2ccnc3ccccc23)CC1 17428817 XRFXZYKOGCSHGI-KRWDZBQOSA-N 312.413 2.787 0 40 DFAB Cc1sc(NC(=O)c2nc[nH]n2)nc1-c1ccc(F)cc1 19555625 GAIBDSKKVJLGQX-UHFFFAOYSA-N 303.322 2.628 0 40 DFAB COc1ccc(CC2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)cc1 154876533 CMPHUFQZYGIUDA-ROUUACIJSA-N 316.445 2.604 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3N)o2)C[C@@H](C)O1 226301225 POCVCQDTEDEQMO-TXEJJXNPSA-N 300.358 2.778 0 40 DFAB Nc1cc(=O)[nH]c(SCCSc2ccc(Cl)cc2)n1 16046308 KNBGEDHFVHKOMF-UHFFFAOYSA-N 313.835 2.890 0 40 DFAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 30201058 HPYVLZYMJXBZNG-JTQLQIEISA-N 312.797 2.838 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC1CCC(C(=O)O)CC1 37561276 FRQASFLLEGIHSZ-UHFFFAOYSA-N 311.765 2.722 0 40 DFAB O=C(Nc1nccs1)c1ccc(OCC2CCOCC2)nc1 240122679 WGWAYFANSAMCAY-UHFFFAOYSA-N 319.386 2.596 0 40 DFAB COc1ccccc1Cn1c(S)nc2ccc(F)cc2c1=O 425295 JOZDVNMNPRLODN-UHFFFAOYSA-N 316.357 2.881 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 1475559 VXBYYFUHRMMQNA-RDTXWAMCSA-N 313.397 2.980 0 40 DFAB COC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 3192034 UGGSHTLGTKLRNH-UHFFFAOYSA-N 302.311 2.928 0 40 DFAB O=C(c1cccc(Cl)n1)N1CC[C@@]2(COc3ccccc32)C1 2055785109 FWXZXSFKJWINMA-KRWDZBQOSA-N 314.772 2.911 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(F)cc1 23142341 PHLOMDFRTPAIHV-GFCCVEGCSA-N 321.323 2.927 0 40 DFAB O=C(NCCn1ccn2nccc12)c1ccccc1C(F)(F)F 206744033 OSDRWOSCOGTWOV-UHFFFAOYSA-N 322.290 2.585 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2cc(F)c(O)c(F)c2)C2CC2)n1 97377221 BHYPZQMTBRAXSA-CYBMUJFWSA-N 319.311 2.650 0 40 DFAB O=C(NCCCOC[C@@H]1CCCO1)c1csc2c1CCCC2 40039458 JCOKAPWNGQFOKU-ZDUSSCGKSA-N 323.458 2.942 0 40 DFAB COC[C@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 30880724 UVJJOSYHHNVCSK-JTQLQIEISA-N 308.378 2.643 0 40 DFAB Fc1ccc(CNCCCn2ccnc2)cc1Br 20305165 LRHUZKKPXSDWRF-UHFFFAOYSA-N 312.186 2.965 0 40 DFAB CC(C)CCSCC(=O)N[C@@H]1CCCCC12OCCO2 89821178 GERXEJGNVQLWSG-CYBMUJFWSA-N 301.452 2.568 0 40 DFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1OC(C)C 68544765 SMUYYYHEQNARGZ-OLZOCXBDSA-N 321.421 2.899 0 40 DFAB COC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 6734879 OYPYLNMKRCKREB-UHFFFAOYSA-N 306.309 2.639 0 40 DFAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)Nc2ccc(Cl)cc21 565143 ORTHIZOGJSFWBH-BMLIUANNSA-N 315.756 2.999 0 40 DFAB CCOC(=O)NCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 53543852 VPINMXQQAZEENO-CYBMUJFWSA-N 322.405 2.854 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)o1 42389329 LGMGHOLXCWFCPO-KGLIPLIRSA-N 306.406 2.660 0 40 DFAB O=C(NOCc1ccccc1)c1cc(Cl)c2c(c1)OCCO2 25038425 DTYVPIGVVHAXEB-UHFFFAOYSA-N 319.744 2.973 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1F 29510460 GYAQKDSACHQGOV-JSGCOSHPSA-N 318.392 2.746 0 40 DFAB C[C@H](NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccccc1 100749662 XHDCLAIZWOHGHB-IGNZVWTISA-N 301.386 2.986 0 40 DFAB COCc1ccccc1CNC(=O)c1ccc(-n2ccnc2)cc1 25307809 JDBXONMTAIJTFS-UHFFFAOYSA-N 321.380 2.949 0 40 DFAB O=C(Cc1noc([C@@H]2C[C@H]3CC[C@H]2C3)n1)NC1CCCCC1 107497906 MJYVULMIUDADKF-SGMGOOAPSA-N 303.406 2.965 0 40 DFAB CNc1ncc2c(n1)CN(c1ccc(OC(F)(F)F)cc1)C2=O 57279601 ACCBENQSIMEUEZ-UHFFFAOYSA-N 324.262 2.577 0 40 DFAB Cc1ccnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 108104053 GUKNGPINEQQHEZ-UONOGXRCSA-N 320.437 2.915 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)NCc2cccnc2)cc1 47947568 MSLBBFIDQFTNMB-UHFFFAOYSA-N 314.345 2.972 0 40 DFAB CCCCOc1ccc(C(=O)Nc2nnn(CCC)n2)cc1 1846660 QUHKXBBRNVYYHA-UHFFFAOYSA-N 303.366 2.514 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cn1 57748571 ICMVWTYPAFVAKI-STQMWFEESA-N 311.385 2.868 0 40 DFAB CCOC(=O)CC(=O)CSc1ncnc2sc(C)c(C)c12 1911848 VPVMSFBKRYRIPR-UHFFFAOYSA-N 324.427 2.923 0 40 DFAB COC(=O)c1ccc(OC(=O)c2cccc(OC)c2)c(OC)c1 2073487 PLFLLTBVUDSHEI-UHFFFAOYSA-N 316.309 2.710 0 40 DFAB CCc1nnsc1C(=O)Nc1nc2cc(Cl)ccc2n1C 58329186 AXMNLDKQLDSWNH-UHFFFAOYSA-N 321.793 2.893 0 40 DFAB Cc1nc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2nc1C 58365693 UZEBRJGJOFVJSD-UHFFFAOYSA-N 321.384 2.721 0 40 DFAB COc1ccccc1-c1nc(NC(=O)C[C@H](C)C2CC2)n[nH]1 58309505 GLKHBQUYEHWBMT-JTQLQIEISA-N 300.362 2.855 0 40 DFAB CCn1nnc2cc(C(=O)N[C@@H](C)CCc3ccco3)ccc21 48277272 SZBOKRMLEZMEAE-LBPRGKRZSA-N 312.373 2.795 0 40 DFAB OC[C@@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 8177873 KJRVTMBZSLEVNO-LLVKDONJSA-N 303.431 2.779 0 40 DFAB COc1ccc(OCCN(C)C(=O)c2ccc[nH]c2=S)cc1 12972573 OFXVFXFDDVQCPV-UHFFFAOYSA-N 318.398 2.904 0 40 DFAB CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 6570697 VYQPXONVIDFZOU-LCYFTJDESA-N 300.339 2.849 0 40 DFAB O=C(N1CCN(c2ccccc2O)CC1)C1(c2ccccc2)CC1 66282151 TYICIWWHGLCBRX-UHFFFAOYSA-N 322.408 2.773 0 40 DFAB C[C@@H](NC(=O)CCC(=O)NCc1ccco1)c1ccccc1 4700636 DERIGIYCFKMPTA-CYBMUJFWSA-N 300.358 2.553 0 40 DFAB CN(C(=O)Nc1cn[nH]c1)C1CCN(c2ccc(F)cc2)CC1 69570588 PNYWQXNNOZTRDT-UHFFFAOYSA-N 317.368 2.682 0 40 DFAB CSc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 69554630 AWVFPUGBDSKYFA-GFCCVEGCSA-N 311.403 2.929 0 40 DFAB Cc1nc2c(s1)[C@H](N(C)c1cc(Cl)nc(N)n1)CCC2 69600796 HAVPQKKRJRFAEM-SECBINFHSA-N 309.826 2.991 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cn1 6942471 UPEKKOIJALDPJL-UHFFFAOYSA-N 322.723 2.599 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3ccc(C)cc3O)CC2)c1 8720556 VRTITYOIYLUKIQ-UHFFFAOYSA-N 310.397 2.971 0 40 DFAB COc1cccc(CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1 7458441 DIAJBGWGNQLBKT-WMLDXEAASA-N 304.434 2.822 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1CCC(C)CC1)CC2 89986310 PRHVXZNWOJPEMR-CKUJCDMFSA-N 309.450 2.591 0 40 DFAB O=C(Nc1ccsc1)NC1(C(=O)NCC2CC2)CCCC1 96007978 CQHDHLAKQAXTOH-UHFFFAOYSA-N 307.419 2.709 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccoc3)cc2C)CC1 9367774 MLNPNKMHRBYPPE-UHFFFAOYSA-N 313.401 2.982 0 40 DFAB C[C@@H](CO)N(C)Cc1ccc(Br)c2cccnc12 97086142 HMPSWGDVFIFBFG-JTQLQIEISA-N 309.207 2.810 0 40 DFAB COc1cccc2[nH]cc(CCNC(=O)c3scnc3C)c12 97046960 FBYLRMSBNBEXNT-UHFFFAOYSA-N 315.398 2.914 0 40 DFAB CC(C)(CNC(=O)NC[C@H]1CCOC1)c1ccccc1Cl 71794762 JFSMSSRMBQZMJD-GFCCVEGCSA-N 310.825 2.953 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ncccn2)C1 9530674 ODXJTPNTNCDOLC-GFCCVEGCSA-N 316.792 2.985 0 40 DFAB COCCCOc1cc(C)ccc1CNc1ncc(F)cn1 97020395 DUDIBRCUCWPENR-UHFFFAOYSA-N 305.353 2.952 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3cc(C)sc3C)CC2)on1 71828148 CRCPETSIKNPVHU-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB COC(=O)c1oc(CN2CCC[C@@H](c3ccncn3)C2)cc1C 71808743 ZERXQHYIFPTTLK-CYBMUJFWSA-N 315.373 2.544 0 40 DFAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H]2c2cc(C)on2)n1 71828063 UJMGLHJJROYMPW-HIFRSBDPSA-N 302.378 2.721 0 40 DFAB C[C@H](C(=O)N(Cc1ccccc1)C1CCCCC1)S(C)(=O)=O 71903488 VSDIUYGZIXDHID-CQSZACIVSA-N 323.458 2.781 0 40 DFAB COc1cc(Br)ccc1CCCN[C@@H]1CCOC1 97106952 QJRZIMIGVNLZSG-CYBMUJFWSA-N 314.223 2.769 0 40 DFAB COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccncc1 76944187 SRXMDSLWVHHSRG-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB O=C(/C=C/c1ccco1)Nc1ccc2nc3n(c(=O)c2c1)CCC3 84429284 WRBUSTHBQKELCE-SOFGYWHQSA-N 321.336 2.588 0 40 DFAB COc1cccc(F)c1C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 84686322 YLRJEQFTTRZDOJ-KBPBESRZSA-N 322.424 2.932 0 40 DFAB C[C@@H](COC(=O)c1ccc2nncn2c1)COc1ccccc1 84640534 WHVCDJWLBNAJTK-CYBMUJFWSA-N 311.341 2.601 0 40 DFAB C[C@@H](Nc1ccncc1NC(=O)c1ccccn1)[C@@H]1CCCO1 95398869 IDSVPJVHPRGYMM-WBMJQRKESA-N 312.373 2.708 0 40 DFAB CCO[C@@H](C)c1noc(CNC(=O)N[C@H]2CCCC2(C)C)n1 78335740 VPKRKXJEDXEZAC-QWRGUYRKSA-N 310.398 2.545 0 40 DFAB CCN(Cc1cnn(C)c1)Cc1nc(C(F)(F)F)cs1 95433748 RATPTGAJIJCROB-UHFFFAOYSA-N 304.341 2.918 0 40 DFAB COc1cccc([C@H](O)COc2ccccc2-c2nnco2)c1 95439090 WVNBYQHBMPIGLR-OAHLLOKOSA-N 312.325 2.858 0 40 DFAB COC(=O)C1(NC(=O)c2cccc(-c3ccccn3)c2C)CCC1 95438241 CZSOPNPBDZSIOV-UHFFFAOYSA-N 324.380 2.883 0 40 DFAB COc1ccc(CNC(=O)NC2CC=CC2)c(OC(F)F)c1 95414015 UUQQPXJJQBSQKS-UHFFFAOYSA-N 312.316 2.814 0 40 DFAB Cc1nc(COC(=O)/C=C/c2ccc3c(c2)OCO3)oc1C 78702624 PCBKZTNHKBQGFW-GQCTYLIASA-N 301.298 2.777 0 40 DFAB CC(C)c1ccsc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788455 NHEBPWXLURDHMC-HUUCEWRRSA-N 322.474 2.543 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)NC(C2CC2)C2CC2)cc1 78751589 QWHXINBZKLUIOP-UHFFFAOYSA-N 315.417 2.675 0 40 DFAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc21 95989323 MXCBFOACSQFWMD-MYSGNRETSA-N 312.369 2.515 0 40 DFAB CC(=O)N1CCC(Nc2cc(F)ccc2OC(F)F)CC1 95983068 CGPGDRPJCQMHCS-UHFFFAOYSA-N 302.296 2.850 0 40 DFAB C[C@H](O)CN(C)C(=O)NCc1cccc(OC2CCCCC2)c1 95983886 IKDDSIQWASSCRS-AWEZNQCLSA-N 320.433 2.920 0 40 DFAB CCc1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 95982327 RUUSECGIJYWGBN-GFCCVEGCSA-N 322.430 2.682 0 40 DFAB CN1CCCN(CCCN[C@@H](Cc2ccccc2)C2CC2)CC1 89382466 NHSWTTFEGRSKGE-FQEVSTJZSA-N 315.505 2.625 0 40 DFAB FC(F)(F)c1ccc(N2CC[C@@H](N[C@H]3CCOC3)C2)cc1 110687628 MAPJBASFFCPZHH-OLZOCXBDSA-N 300.324 2.663 0 40 DFAB Cc1c(C(=O)NC[C@H]2CCOC2)cnn1-c1cccc(Cl)c1 41366922 VAFHEGNUMKUSJZ-GFCCVEGCSA-N 319.792 2.600 0 40 DFAB C[C@H](CC(=O)N1CCC(c2ccnn2C)CC1)c1ccco1 528624162 KWGLUIPXUHTITQ-CYBMUJFWSA-N 301.390 2.913 0 40 DFAB CC[C@H](C)[C@H](NC(=O)Cn1ccnc1)c1nc2ccccc2[nH]1 72983412 LYAIAFGFNHULKH-LRDDRELGSA-N 311.389 2.663 0 40 DFAB CC(C)[C@@H](C(=O)NC[C@@H](C)c1ccsc1)N1CCCC1=O 73370968 BQIPPIDSRFRYCV-DOMZBBRYSA-N 308.447 2.615 0 40 DFAB CCS[C@H]1CCCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 78987732 QEOQBLWSBBZALB-OLZOCXBDSA-N 314.495 2.671 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C=O)cc2)C1 228909355 WTAKRQOJMBJSGO-AWEZNQCLSA-N 304.390 2.993 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCOC2)c(F)c1 566680289 DRQYFPVACXHHDN-DOMZBBRYSA-N 321.348 2.555 0 40 DFAB N[C@H]1CCCCN(c2nc(-c3ccccc3)ccc2C(=O)O)C1 82108229 PYMNOYVOEMPBQG-AWEZNQCLSA-N 311.385 2.764 0 40 DFAB Cc1cc(NC(=O)N2CCOCC2)cc(C)c1Br 192419833 GKCHYSZRYUSOKT-UHFFFAOYSA-N 313.195 2.930 0 40 DFAB CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccn(C)n1)CC2 574036942 ZQHXQUDFZQPFNH-HNNXBMFYSA-N 319.430 2.509 0 40 DFAB Cc1ncsc1CNc1ccc(CCN2CCOCC2)cc1 80195155 ZGTGXAWVHKLVQT-UHFFFAOYSA-N 317.458 2.938 0 40 DFAB O=C(O)C[C@@H](CC(=O)NCCc1ccco1)c1ccccc1 226753715 SIIDSJPQILCWIL-CQSZACIVSA-N 301.342 2.587 0 40 DFAB Clc1cnc(N[C@@H]2CCN(c3ncccc3Cl)C2)nc1 329815635 VLAOOTUTGMQBBS-SNVBAGLBSA-N 310.188 2.869 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@H]2CCCC[C@@H]2OCCC(C)C)c[nH]1 89353778 YMGZWMOMKDOURU-RDJZCZTQSA-N 320.433 2.787 0 40 DFAB C[C@H]1NC(=S)N(CC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)C1=O 195538959 KDKVHCKKJJNTSX-JMXNPYCNSA-N 312.866 2.669 0 40 DFAB CN[C@@H](CC(C)(C)C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 580429172 UWODEOYNXYTPQI-NSHDSACASA-N 321.450 2.506 0 40 DFAB CCc1c(Cl)nc(C)nc1NCc1nnc2ccccn12 96427291 ADWANZDKVHPAAN-UHFFFAOYSA-N 302.769 2.656 0 40 DFAB C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cnn(Cc2ccccc2)c1 96490340 NRTKOCNDFORANB-KDOFPFPSSA-N 321.428 2.863 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)c2cc(C3CC3)on2)cs1 96217858 ZFNANCUXTQZNFC-CYBMUJFWSA-N 319.386 2.531 0 40 DFAB CN(C)C(=O)Cc1ccc(NCCOc2ccccc2F)cc1 96414780 KZZJOXGUKSHSDJ-UHFFFAOYSA-N 316.376 2.947 0 40 DFAB CN(C)c1ncccc1CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 96439073 YBRUSJQLYVBDHO-ZFWWWQNUSA-N 302.422 2.622 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)n(C)n1 96479635 ANEIGRUOSVSGPE-LLVKDONJSA-N 321.402 2.551 0 40 DFAB C[C@@H](CNC1CCOCC1)Oc1ccccc1Br 96452778 HGTXQFJHYAPFNW-NSHDSACASA-N 314.223 2.985 0 40 DFAB C[C@H](NC[C@@H](C)N1CCOC[C@H]1C)c1nc2c(s1)CCCC2 245339257 RNMBBPDRBKNKPS-MCIONIFRSA-N 323.506 2.782 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 246095388 KGVZGESIEBHYDX-CSFVBSKPSA-N 303.402 2.623 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@H]3c3nc(C)cn3C)cn2c1 257309880 UCTVOYOFSUQJAF-HNNXBMFYSA-N 323.400 2.662 0 40 DFAB C[C@@]1(c2ncc(CNC(=O)c3cccs3)cn2)CCCCO1 257228780 FVEHCVIFUSRKAU-INIZCTEOSA-N 317.414 2.884 0 40 DFAB COc1ccc([C@@H]2CN(CC3CCC3)CCN2C(C)=O)cc1 257317233 VIXANVQNLVPREH-SFHVURJKSA-N 302.418 2.701 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257216483 CURIKRCZFKDGBO-CQSZACIVSA-N 313.405 2.783 0 40 DFAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NC1CCCCC1 18266996 KZZVYWOIKDALNI-JTQLQIEISA-N 324.808 2.916 0 40 DFAB O=C(c1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 825576720 XIDOHXAJXLDOOM-KBPBESRZSA-N 316.792 2.940 0 40 DFAB Cc1csc(N2CCCN(C(=O)Cc3ccsc3)CC2)n1 55758951 CDOGCRFNMLIVGS-UHFFFAOYSA-N 321.471 2.794 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1c[nH]nc1-c1ccc(Cl)cc1 69492429 FICAFPKMQQZYLJ-ZDUSSCGKSA-N 321.764 2.918 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 585234440 SBGRURJJEPKDCV-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB C[C@H](C(=O)N1CCC[C@@H]1CO)c1ccc(Br)cc1 154102749 RTUIDMHWHCFTND-GXFFZTMASA-N 312.207 2.536 0 40 DFAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4504401 FNQHMMKFUYQZPA-HNNXBMFYSA-N 323.458 2.633 0 40 DFAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)cc1Cl 5258208 DUTULENSZUZQIU-AWEZNQCLSA-N 324.808 2.916 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@H](c2cccn2C)N(C)C)c(C)c1 11846577 CSHLYPPQOSGARL-QGZVFWFLSA-N 313.445 2.983 0 40 DFAB C[C@@H](c1ccccc1)N1CCC(N(C)S(=O)(=O)C2CC2)CC1 2087144437 AZQIHHNNHLDNKC-AWEZNQCLSA-N 322.474 2.636 0 40 DFAB Cc1c(C)n2c(SCc3cccc(Cl)c3)nnc2[nH]c1=O 4250489 KJKSUMQNJBDBRL-UHFFFAOYSA-N 320.805 2.980 0 40 DFAB Fc1ccc([C@H]2CN(Cn3ncsc3=S)CCO2)cc1 40061148 ARKKCXBUBXBZKE-GFCCVEGCSA-N 311.407 2.844 0 40 DFAB Cc1cc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]n1 50660927 CSGJQNFZGOEMOV-HNNXBMFYSA-N 317.364 2.679 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)no1 121848 IMXQKGIIDSVOOQ-UHFFFAOYSA-N 322.264 2.682 0 40 DFAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 221424 FJKSHOVPJSXKKM-INIZCTEOSA-N 305.337 2.835 0 40 DFAB biogenic O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2[nH]cnc2c1 11758849 OEGMKLCGNYHCEF-UHFFFAOYSA-N 309.325 2.977 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 69776098 BBRMBWKUZRIDNK-GFCCVEGCSA-N 318.760 2.777 0 40 DFAB O=C1C(=O)N(c2ccccc2Cl)C(=O)N1Cc1ccccc1 1573117 VAXXUKLZKYHOFQ-UHFFFAOYSA-N 314.728 2.835 0 40 DFAB O=C(/C=C/c1ccco1)NCc1cccc(N2CCCC2=O)c1 32313137 CWNRBDKYIJHZQW-CMDGGOBGSA-N 310.353 2.736 0 40 DFAB CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1 366094 MDXQCFYAKGRJOT-UHFFFAOYSA-N 320.374 2.995 0 40 DFAB aggregator CCCC(=O)Nc1ncc(I)cc1C 6516014 GQMQOHWVZHJIFT-UHFFFAOYSA-N 304.131 2.733 0 40 DFAB CC1=C(C(=O)O)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 6664565 UWOGYNXGVKWPLM-JTQLQIEISA-N 301.129 2.706 0 40 DFAB CCc1nnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1 33149155 BSSSRUCJFPFXFA-UHFFFAOYSA-N 323.422 2.742 0 40 DFAB Fc1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1 541951 DPAOBRKGAVQATP-UHFFFAOYSA-N 320.287 2.862 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)Nc3ncccc3O)c2)cs1 22264940 HJWAYBPWZFHLPV-UHFFFAOYSA-N 300.343 2.800 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 22645992 VEPVBRQQSNJYJA-LBPRGKRZSA-N 310.353 2.817 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)Nc1nnc(C2CC2)s1 22738721 PFEQPRMDRLWKDK-UHFFFAOYSA-N 317.370 2.716 0 40 DFAB Cc1noc(C)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 24190417 JIROVYPLVAHGMA-UHFFFAOYSA-N 310.357 2.749 0 40 DFAB CCOC(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc(Cl)nc1)C2 100049773 SLPRAMHKLMLDEH-VXGBXAGGSA-N 310.781 2.706 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1nccs1 106238327 UUDGESIJNUKBNY-VIFPVBQESA-N 300.380 2.630 0 40 DFAB Cc1nnc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)s1 43407356 SDOFOQIXSWXXGA-QMMMGPOBSA-N 320.374 2.500 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)c2ccc(C)s2)cc1 25649143 WWQFSYOCTHNYKI-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB COc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC 1891145 WXEHHEXEYMQBRR-UHFFFAOYSA-N 311.337 2.742 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)F)CC1 57987253 PGPYNJGNHMDTIL-UHFFFAOYSA-N 303.740 2.755 0 40 DFAB Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 20841132 RZBROUNUNRNQJA-UHFFFAOYSA-N 308.716 2.956 0 40 DFAB Cc1ccccc1C[C@@H](C)NC(=O)c1cccc(NC(N)=O)c1 58263978 QSJHLEZLZSLAJD-CYBMUJFWSA-N 311.385 2.847 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)no1 58245469 KJZIYGRLKUQYNX-NEPJUHHUSA-N 323.393 2.549 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)Cn1cccn1)c1nc2ccccc2[nH]1 58214270 MHUDAYYZFHKYMA-WBMJQRKESA-N 311.389 2.663 0 40 DFAB COc1ccc(CC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1 20137304 FSVWNPHUKQDEBF-UHFFFAOYSA-N 315.325 2.589 0 40 DFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(F)cc1 44980160 ROEOBCLPFXPFGX-UKRRQHHQSA-N 305.349 2.902 0 40 DFAB Cc1cc([C@H]2CCCN2Cn2nc(C)c3ccccc3c2=O)on1 44979285 KIGIUVSLLXSBPD-MRXNPFEDSA-N 324.384 2.796 0 40 DFAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1Cc1ccco1 2237491 JCFWDDIZHVNTPT-UHFFFAOYSA-N 306.325 2.532 0 40 DFAB COc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1 2419639 FCOMZICKKZCWHE-UHFFFAOYSA-N 309.354 2.923 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)cc1 12891980 KXZUFLSROMRSDO-INIZCTEOSA-N 304.415 2.859 0 40 DFAB C[C@@]1(C(=O)OCC(=O)Nc2ccc(F)cc2)CC1(Cl)Cl 3502170 AKTGTZUBYMAQQR-LBPRGKRZSA-N 320.147 2.891 0 40 DFAB O=C(NCCNC(=O)c1c(F)cccc1Cl)c1ccccc1 12952417 FMUYXLDPYNCUQO-UHFFFAOYSA-N 320.751 2.639 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 70040718 JGVHYJACGKBEQK-OAHLLOKOSA-N 308.385 2.598 0 40 DFAB Cn1cnnc1C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 69328617 ZQVVQDKURJIXFC-QGZVFWFLSA-N 324.428 2.641 0 40 DFAB Cc1ccc(C(=O)N2C[C@H](C(=O)O)Oc3ccccc32)cc1F 13436776 DNYOQZZTLKLBTB-OAHLLOKOSA-N 315.300 2.627 0 40 DFAB C[C@H](CC(=O)Nc1nc(CC(=O)O)cs1)c1ccccc1 13404710 PRJJRNJEQDAQJC-SNVBAGLBSA-N 304.371 2.903 0 40 DFAB O=C(c1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3 8673170 RVOGXPMYBQNDJU-UHFFFAOYSA-N 307.305 2.530 0 40 DFAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccccc1Cl 69415830 JIORCVJDZFJYGU-CYBMUJFWSA-N 310.825 2.523 0 40 DFAB CCc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 6304267 BKBAAMHINQIVBC-UHFFFAOYSA-N 303.383 2.905 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC 5425318 MOBYMHLXDFGHEO-IINYFYTJSA-N 306.362 2.598 0 40 DFAB COc1cc(C(=O)NCCc2cccs2)cc(OC)c1OC 17909535 SKGBFUKYQVAIFX-UHFFFAOYSA-N 321.398 2.746 0 40 DFAB CC(=O)N[C@@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 25381128 VZAWKQLWGKDZFQ-HNNXBMFYSA-N 324.424 2.849 0 40 DFAB O=C(CCc1ccncc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 69631994 IGBFFIIDPFZGMD-HOTGVXAUSA-N 320.458 2.527 0 40 DFAB CCO[C@H]1CCCN(c2nc(Cc3ccc(F)cc3)no2)C1 69811757 KZLDNKVBZOBLOO-AWEZNQCLSA-N 305.353 2.805 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)cn1 67048090 UVUMWLJPXCRXLU-CQSZACIVSA-N 301.415 2.795 0 40 DFAB Cc1nc(C(=O)N2CCc3ccccc32)nn1-c1ccc(F)cc1 15190904 WIZHQQAJKNWZMX-UHFFFAOYSA-N 322.343 2.918 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCC(Nc2cccnn2)CC1 69875525 RSTOZSJHYYTTFQ-UHFFFAOYSA-N 322.368 2.940 0 40 DFAB Nc1ccc2c(NC[C@H]3CCO[C@@H]3c3ccccc3)ncnc2n1 90095271 LTVBXUZDLHZCQE-CZUORRHYSA-N 321.384 2.797 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)n1 7177459 BQLSMJGMWXBREF-QMMMGPOBSA-N 324.356 2.765 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 7308187 LWGNQEAXQNDSPB-UWVGGRQHSA-N 323.336 2.503 0 40 DFAB CCCn1c(C)cc(C(=O)CSc2nnc(N)s2)c1C 7699062 ZQXOFHRXWDUWTJ-UHFFFAOYSA-N 310.448 2.924 0 40 DFAB O=C([C@H]1SCCc2sccc21)N1CC[C@@]2(CCOC2)C1 89885353 MPRDJYVOGBZGNK-DZGCQCFKSA-N 309.456 2.718 0 40 DFAB O=C(Nc1ccccn1)N[C@@H]1CCN(c2ncccc2Cl)C1 89883865 HNVPQQJEJXATAT-LLVKDONJSA-N 317.780 2.530 0 40 DFAB O=C(NCCCOC[C@@H]1CCOC1)N[C@H]1C[C@@H]1C1CCCCC1 89818281 VSELFXUSIJNXFR-UAGQMJEPSA-N 324.465 2.698 0 40 DFAB Cc1cc(C)n2nc(SCc3cn4ccccc4n3)nc2n1 9317847 OUXNIRPKVHMYMG-UHFFFAOYSA-N 310.386 2.681 0 40 DFAB COc1ccccc1-c1nc(CN2CCN(C)C[C@@H]2C)cs1 89939306 PFRAULPCPCMIHQ-ZDUSSCGKSA-N 317.458 2.955 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)cc1F 9867144 CRDHXFPALVVJLO-SSDOTTSWSA-N 312.395 2.687 0 40 DFAB C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@@H]1O 97045220 CZVTVPKIIBUCJP-NHYWBVRUSA-N 309.356 2.616 0 40 DFAB CN(c1nc(CN2C(=O)CC3(CCCC3)C2=O)cs1)C1CC1 96475474 LZYYQOWDHDOYHB-UHFFFAOYSA-N 319.430 2.561 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 96422017 AGPBLZIOSYREGQ-CJNGLKHVSA-N 314.389 2.904 0 40 DFAB COCCCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9575787 TTZFNHKSTFGAKC-UHFFFAOYSA-N 321.808 2.909 0 40 DFAB NC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 97019362 UATDSHIIQDFKQE-UHFFFAOYSA-N 314.364 2.528 0 40 DFAB C[C@H](CNC(=O)NCc1ccccc1Cl)Cn1ccnc1 71856557 VLTXBWVBFLPLOA-GFCCVEGCSA-N 306.797 2.672 0 40 DFAB CCc1cnccc1C(=O)N[C@@H]1C[C@@]12CCOc1ccccc12 97034978 UUOOZQHIHKJVBM-IEBWSBKVSA-N 308.381 2.867 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 97034820 TXPPHBMBERBZCX-YJNKXOJESA-N 324.465 2.789 0 40 DFAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cncn3)C2)c1 72235048 NGMAKEAMIBZGGZ-ULQDDVLXSA-N 310.401 2.554 0 40 DFAB CNC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975684 CBTMSMADEDDOAD-UHFFFAOYSA-N 317.352 2.980 0 40 DFAB Cc1nc(C(=O)N2CCC[C@H](C)c3ccccc32)c(=O)[nH]c1C 97111616 DNZBLXKHWNFSEI-NSHDSACASA-N 311.385 2.931 0 40 DFAB Cn1c(CCNC(=O)c2cc3ccccn3c2)nc2ccccc21 76092522 QYUFXVKXVDOCOV-UHFFFAOYSA-N 318.380 2.799 0 40 DFAB Cn1cc(NC(=O)c2cc(-c3cccc(Cl)c3)nn2C)cn1 72403317 JEDKUMFKEGEVPB-UHFFFAOYSA-N 315.764 2.726 0 40 DFAB C[C@@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 84660627 XIIUMJVFILEFTG-RYUDHWBXSA-N 316.380 2.588 0 40 DFAB CC1(C)OC[C@H](COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)O1 95450756 YFCQJKDHIZDUJE-LOWVWBTDSA-N 312.312 2.763 0 40 DFAB COc1ccc2c(c1)[C@H](NCCCn1cccn1)CCCO2 95419808 VAJDVISAQVMLLV-MRXNPFEDSA-N 301.390 2.785 0 40 DFAB C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1cscn1 95430184 WBQOHTPWHYTIAD-CYBMUJFWSA-N 315.442 2.548 0 40 DFAB CC(C)CC1(CNC(=O)CCNC(=O)c2ccccc2)CC1 79093562 AKAPSSVCQHEKGI-UHFFFAOYSA-N 302.418 2.749 0 40 DFAB CCOC(=O)[C@H]1CCCN(CC(=O)c2c[nH]c3ccccc23)C1 95950862 QDPYKLNBTQXUPE-ZDUSSCGKSA-N 314.385 2.626 0 40 DFAB C[C@@H](CO[C@H]1CCOC1)NC(=O)/C=C/c1cccc(Cl)c1 79057720 ZCXJTHZJHOXTTL-MAPJRGFJSA-N 309.793 2.663 0 40 DFAB O=C(N[C@H]1CCC[C@@H](C2CC2)C1)N1CCC2(CC1)OCCO2 74652177 ZMHNYYOETKZQRO-CABCVRRESA-N 308.422 2.504 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)c3ccc(C)[nH]c3=O)on2)cc1 75119831 SAFXXJCDVVAWTE-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB CN(C)S(=O)(=O)N(Cc1cc(F)ccc1F)C1CCCC1 75106873 MYGGBAUUNDHQES-UHFFFAOYSA-N 318.389 2.516 0 40 DFAB COc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1Cl 36638876 JWAMZJWGWUIXIJ-UHFFFAOYSA-N 312.218 2.936 0 40 DFAB CCNC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1 1542064853 YXAIGKMSIOIBOT-UHFFFAOYSA-N 324.340 2.672 0 40 DFAB CCc1cnc(CCNc2ncc(Br)cn2)s1 78513242 TUWGLZLNMLCDSD-UHFFFAOYSA-N 313.224 2.913 0 40 DFAB O=C(NCc1ccc(Br)cc1)N1CCSCC1 78605562 LWLWCTZIAOMPJC-UHFFFAOYSA-N 315.236 2.708 0 40 DFAB CCCN1CCO[C@H](COc2ccc(Br)cc2)C1 217499346 HPSSUEFRHOVJNM-AWEZNQCLSA-N 314.223 2.939 0 40 DFAB COC(=O)c1cc(NCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1F 36394234 VDZVKQGFLWJSLR-IAQYHMDHSA-N 322.380 2.719 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 72203410 USOSVRNZLODDEL-AWEZNQCLSA-N 320.437 2.929 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1C 238881858 PKNMHISVSPKTSP-BZUAXINKSA-N 304.390 2.761 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)c3cc(-c4ccco4)on3)ccc21 49506733 XDMCJQVTDGNVSN-UHFFFAOYSA-N 323.308 2.706 0 40 DFAB c1cnn(-c2ccc(CN[C@H]3CCCC34CCOCC4)cn2)c1 521394110 ADXYZYODMUQLQR-INIZCTEOSA-N 312.417 2.706 0 40 DFAB Nc1ncnc2c1cnn2-c1nc2cc(Cl)ccc2s1 44902238 SXEIQHYFYJLUGK-UHFFFAOYSA-N 302.750 2.661 0 40 DFAB C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@H](c2ccsc2)O1 225465273 QKVUDOKTYTUOED-DAXOMENPSA-N 316.426 2.737 0 40 DFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C 222734165 CYRVHKUFHHBHBP-CABCVRRESA-N 300.431 2.639 0 40 DFAB Cc1cc(NCC[C@H](O)c2ccccc2Cl)n2ncnc2n1 223479160 LMTVTRHAIWQVSQ-ZDUSSCGKSA-N 317.780 2.622 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCC(C)CC2)cc1C 223529349 BAJRPRUQGXENNC-UHFFFAOYSA-N 318.461 2.784 0 40 DFAB C[C@@]1(NC(=O)c2cnc(-c3ncccn3)s2)CC=CCC1 332651136 KDWXXJOZNVJBLT-OAHLLOKOSA-N 300.387 2.829 0 40 DFAB COc1cc2c(cc1OC)-c1nc3ccccc3c(=O)n1CC2 98212115 ONJJYWWGSWJUJD-UHFFFAOYSA-N 308.337 2.637 0 40 DFAB C[C@@H](CNC(=O)Nc1cnn(C)c1)Oc1cccc(Cl)c1 96433849 AKPLPLLICBDYBN-JTQLQIEISA-N 308.769 2.663 0 40 DFAB Cc1nn2cccnc2c1C(=O)NCC1(c2cccc(F)c2)CC1 96416686 PHJGGCXTVQVIIN-UHFFFAOYSA-N 324.359 2.638 0 40 DFAB Cc1nc(-c2cccnc2)nc(NCCCn2ccnc2)c1C 91424869 XOHQCYNIQGWHFC-UHFFFAOYSA-N 308.389 2.854 0 40 DFAB O=C1[C@@H](SC[C@@H](O)c2ccccc2)CCN1CC(F)(F)F 96410873 AVXSSRXGAKGRQN-NEPJUHHUSA-N 319.348 2.616 0 40 DFAB O=C(OCCCn1ccccc1=O)c1cnc2ccsc2c1 96441959 LAUBQWUHWBMQJX-UHFFFAOYSA-N 314.366 2.705 0 40 DFAB Cc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 96111926 XSOUKIXVIQYNHW-WMZOPIPTSA-N 322.408 2.993 0 40 DFAB biogenic,in-vitro Cc1ccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1C 96229686 SWTAAJSHQDMTNM-LJQANCHMSA-N 314.429 2.921 0 40 DFAB O=C(C1CC=CC1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238444 HJJDNJMOEIXCBM-LJQANCHMSA-N 310.397 2.608 0 40 DFAB O=C(NCC[C@H](O)c1ccoc1)NCc1ccc(Cl)cc1 90613356 PWGZUMMNSILXGX-AWEZNQCLSA-N 308.765 2.856 0 40 DFAB COCCOc1ccc([C@@H](C)NC(=O)c2ccco2)cc1OC 49160734 GKPMMPZVEJTHCV-GFCCVEGCSA-N 319.357 2.804 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)c1 69454631 LFQMSMHHNUNTFT-ZDUSSCGKSA-N 309.373 2.545 0 40 DFAB Cn1nccc1[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 69487139 OQXSKVUDQDGMLM-KRWDZBQOSA-N 321.428 2.985 0 40 DFAB COc1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)cc1 69442196 CRKGAWMJZXPFGI-BLLLJJGKSA-N 324.380 2.703 0 40 DFAB CCc1nnc(SCc2cc(C(=O)OC)sc2C)n1C 89119811 BXIUCGWTBPNFCR-UHFFFAOYSA-N 311.432 2.826 0 40 DFAB Cc1nccn1CCCC(=O)N[C@@H]1CCc2c(F)cccc21 78394383 GYDVIBWPILWYDM-MRXNPFEDSA-N 301.365 2.915 0 40 DFAB CC(C)(C)c1ncsc1C(=O)Nc1ccc(CC(N)=O)cc1 78974212 RFGHKTMPUZJCLS-UHFFFAOYSA-N 317.414 2.721 0 40 DFAB CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2 5650614 RLHKYVHZNZMLRH-UHFFFAOYSA-N 311.345 2.779 0 40 DFAB Cc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)cc1 11695235 ZNOLJZONUWTDEY-UHFFFAOYSA-N 322.412 2.511 0 40 DFAB COC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 19208904 PUXZIJVCDWOJGP-HNNXBMFYSA-N 317.385 2.848 0 40 DFAB OCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1 19960704 SPNOFLOVWUJFIX-UHFFFAOYSA-N 315.804 2.816 0 40 DFAB CNc1c(C(=O)OC)cc(Br)nc1C(F)(F)F 167801007 IVURHPRSVBQTCJ-UHFFFAOYSA-N 313.073 2.691 0 40 DFAB CO[C@H]1CCCN(Cc2cncn2C)[C@H]1Cc1ccccc1F 643913869 JXANLYABRBUTBP-ROUUACIJSA-N 317.408 2.781 0 40 DFAB O=C(CCc1ccccc1F)N1CCCN(C2CCC2)CC1 827939119 NPKHFFBZVGQNMT-UHFFFAOYSA-N 304.409 2.845 0 40 DFAB Fc1ccccc1Nc1ncnc2c1ncn2C[C@H]1CCCO1 1888906398 INJHBKFRRWRQEJ-LLVKDONJSA-N 313.336 2.888 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1 1889091757 UHIUVVFOMIIKSW-CYBMUJFWSA-N 315.442 2.989 0 40 DFAB CC1(C)C[C@H]1C(=O)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223746 DGAGMACJHTYOOK-KBPBESRZSA-N 308.491 2.605 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)cc1 106995 GDWULTXUANATMI-UHFFFAOYSA-N 311.337 2.937 0 40 DFAB CCc1nnc(SCCCOc2ccc(C=O)cc2)n1C 8731679 FIMXNIBELKAZHN-UHFFFAOYSA-N 305.403 2.751 0 40 DFAB CC(C)COC(=O)n1c(=O)oc2cc(Br)ccc21 187251 MBBKOPSWWRWORB-UHFFFAOYSA-N 314.135 2.998 0 40 DFAB COc1cccc(C2=C[C@H](c3ccccc3F)n3nnnc3N2)c1 101050400 XQBCHVXXYDJCPI-MRXNPFEDSA-N 323.331 2.877 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)NCc1ccccc1 68962602 NXOBBDVXLOFJSR-UHFFFAOYSA-N 311.385 2.682 0 40 DFAB CC(C)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2623931 ZOSSUUJQRZAMLH-UHFFFAOYSA-N 316.430 2.761 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H]2CCCC[C@H]21 46493239 LETNOGPXEZKBOD-CVEARBPZSA-N 313.401 2.666 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 69700022 KTGQGJPYDAZYKC-ROUUACIJSA-N 324.428 2.571 0 40 DFAB CN(C)C(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)cc1 32902199 ZCKCQNYFMXEMQB-UHFFFAOYSA-N 318.323 2.597 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2cccnc2)n1 41687676 NYRFVZYMCFBURQ-GFCCVEGCSA-N 302.378 2.788 0 40 DFAB Cc1cc(Br)oc1C(=O)N1CCO[C@H]2CCC[C@@H]21 53385407 HJEPCSVNKNTKPX-UWVGGRQHSA-N 314.179 2.744 0 40 DFAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H]2CCC[C@H]21 53376222 SLEKGGORQLWWRC-OLZOCXBDSA-N 323.776 2.505 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1 57327750 FXLRGOQMUZDKLA-SSDOTTSWSA-N 318.156 2.615 0 40 DFAB CN(CC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 55021085 TVKWJLJRXUHRBG-UHFFFAOYSA-N 316.351 2.986 0 40 DFAB Cc1cc(N2CCCN(c3nc(C)cs3)CC2)nc(C)n1 57148432 ZLHZVYKHTVKPEP-UHFFFAOYSA-N 303.435 2.575 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1c(F)cccc1F 44816221 NWCYNBVZXMBVND-SNVBAGLBSA-N 305.280 2.535 0 40 DFAB O[C@H](CNCc1cccc2c1OCCCO2)c1ccccc1F 58263955 PEZQDCUGBLWXGP-MRXNPFEDSA-N 317.360 2.810 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C 408611424 WFOLWRJKDPIUNW-UHFFFAOYSA-N 324.446 2.955 0 40 DFAB COc1ccc(CNC(=O)NCCc2nc3ccccc3[nH]2)cc1 10356592 YJPQNKNYNLXXLQ-UHFFFAOYSA-N 324.384 2.613 0 40 DFAB O=C(NCC(F)(F)F)c1cnn(Cc2ccccc2Cl)c1 48274610 DPSFSGXWMXRENU-UHFFFAOYSA-N 317.698 2.877 0 40 DFAB CONC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 45013829 CQTAUCXRSZJIDJ-UHFFFAOYSA-N 304.394 2.909 0 40 DFAB Cc1nc(C)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)s1 48344785 OQGNXBXIGAUSGX-HNNXBMFYSA-N 315.442 2.889 0 40 DFAB CN1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1=O 45153532 XZFHGHNINWHZIT-HIFRSBDPSA-N 320.820 2.872 0 40 DFAB O=C(Nc1ccc(Cl)cc1F)c1cccc(-n2cnnn2)c1 3491754 HHSUAMCCEWJCCM-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)N2CCCCCC2)cc1 48442138 TWWGJWIGMXUMKX-UHFFFAOYSA-N 303.406 2.725 0 40 DFAB O=C(COC(=O)c1cccc(O)c1)Nc1ccccc1Cl 3511159 FBVVBGHEMMDXIV-UHFFFAOYSA-N 305.717 2.841 0 40 DFAB CN(c1ccccn1)S(=O)(=O)c1ccc(F)cc1Cl 48671882 VPPJEYDZSRECAC-UHFFFAOYSA-N 300.742 2.699 0 40 DFAB CC(C)NC(=O)Cc1nc(O)c2cc(Cl)cc(Cl)c2n1 48606539 YFZJSYRDDLJFST-UHFFFAOYSA-N 314.172 2.709 0 40 DFAB CC(=O)N(C)CC(=O)NCc1ccccc1Oc1ccccc1 62887488 UAVZUKGIZYLGKU-UHFFFAOYSA-N 312.369 2.573 0 40 DFAB O=C(Cn1cncn1)NC1(c2ccc(Cl)cc2)CCCCC1 69324006 IPFZENKOYLTSFY-UHFFFAOYSA-N 318.808 2.907 0 40 DFAB O=S(=O)(NC[C@H]1CCCc2ccccc21)c1cncc(F)c1 63519334 SWIKEFJCLQASJD-CYBMUJFWSA-N 320.389 2.619 0 40 DFAB Fc1ccc(-c2ccc(CN[C@H]3CCc4ncnn4C3)o2)cc1 69491662 NWYFFKPXNYIVOT-AWEZNQCLSA-N 312.348 2.782 0 40 DFAB Cc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 6029823 PFNKJGJVGMDOHJ-GOSISDBHSA-N 316.445 2.502 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)N[C@@H]1CCCc2ccccc21 6159722 UWYYJGGQSCUZOH-HZPDHXFCSA-N 318.417 2.951 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@@H]1Cc2ccccc2O1 69561676 SLMVNACPBGAOIA-MPGHIAIKSA-N 309.365 2.671 0 40 DFAB CC1CCN([C@@H](C)CNC(=O)N2CCc3ccccc3C2)CC1 65477991 LAVFTPWJFIZFSM-INIZCTEOSA-N 315.461 2.875 0 40 DFAB CCc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 8503961 QSJLFURFQLTJPD-SNVBAGLBSA-N 317.414 2.832 0 40 DFAB COC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1C 8715295 SXBSCGFVJVXBGK-UHFFFAOYSA-N 309.329 2.501 0 40 DFAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1 7735636 ONIFOLFSOSHVPH-WBMJQRKESA-N 312.321 2.641 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccncc2)no1 96000166 UGKYLYSKPUURSJ-ZDUSSCGKSA-N 301.350 2.922 0 40 DFAB COC(=O)[C@@]1(C)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 93813801 LPCVUQQIOYIKNY-KRWDZBQOSA-N 317.364 2.601 0 40 DFAB O=C(NCC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 9894904 MPOGCXAXBYNWLJ-KRWDZBQOSA-N 308.381 2.780 0 40 DFAB CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)C1CC=CC1 96418763 MLHANLSIPDDPIT-UHFFFAOYSA-N 322.430 2.668 0 40 DFAB COCC(=O)Nc1cccc(NCc2cccc3cn[nH]c23)c1 96460010 DLWFKFLPAOBQLI-UHFFFAOYSA-N 310.357 2.760 0 40 DFAB NC(=O)CCCNC(=O)c1sccc1-c1ccc(F)cc1 71839324 PWHGFVKQXVPLKG-UHFFFAOYSA-N 306.362 2.550 0 40 DFAB O=c1c2sccc2ncn1C[C@@H](O)c1ccc(Cl)cc1 71836086 FCJMAWRDNKMZQT-GFCCVEGCSA-N 306.774 2.845 0 40 DFAB Cc1ccc(C[C@H](C)NC(=O)c2c(O)nnc(C)c2C)c(C)c1 71888923 VFQWKXOVQZSJFM-LBPRGKRZSA-N 313.401 2.777 0 40 DFAB CCCOCC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 87258786 GBMMDGMOYYOZQU-AEFFLSMTSA-N 313.401 2.655 0 40 DFAB O=C(C[C@H]1Sc2ccccc2NC1=O)OC1(C2CC2)CC1 83770414 CRVQVEGCISRRTF-CYBMUJFWSA-N 303.383 2.975 0 40 DFAB COc1cc(C(=O)N[C@H](CO)Cc2ccccc2)ccc1Cl 97032312 WFPCDOYGUWMBGA-AWEZNQCLSA-N 319.788 2.682 0 40 DFAB CCN(C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1)C(C)C 97141719 SYTDQLAKSWANPP-KGLIPLIRSA-N 300.468 2.823 0 40 DFAB CCC(C)(C)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 72304268 RKGUQVQQHGXSOJ-UHFFFAOYSA-N 301.390 2.762 0 40 DFAB O[C@H](CN1CCC(c2cn[nH]c2)CC1)c1ccc(F)cc1F 97203434 SZBCAHPNWNDAQD-MRXNPFEDSA-N 307.344 2.601 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)NC1C2CC3CC(C2)CC1C3 95350802 JNSJFVSFXVAIHU-UCRBLCQZSA-N 317.477 2.595 0 40 DFAB Cn1c([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)nc2ccccc21 95408362 ZAFMOVZAILZYBB-QGZVFWFLSA-N 324.428 2.727 0 40 DFAB Fc1ccc(Cc2nc3nccc(-c4cccnc4)n3n2)cc1 95476890 DIKFITKYGZRMPR-UHFFFAOYSA-N 305.316 2.916 0 40 DFAB Cc1ccc2cccc(C(=O)N[C@@H](C)[C@@H](C)n3cncn3)c2n1 95400536 YKOVJDPHFZYYCP-QWHCGFSZSA-N 309.373 2.514 0 40 DFAB C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CCOCC1 95416807 ZBUWCNYVGHLYPI-PSOPSSQASA-N 324.371 2.935 0 40 DFAB NC(=O)[C@H]1CCC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 95440115 XFEXCKYUMZUADQ-WDEREUQCSA-N 318.314 2.978 0 40 DFAB CC[C@H](NC[C@H](O)c1ccc(C)cc1)C1(C(=O)OC)CCC1 95466857 CLCQYLTYJJVPBD-HOTGVXAUSA-N 305.418 2.740 0 40 DFAB Cc1noc(C)c1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 95951804 BLJJYHDDHBGNOR-PKOBYXMFSA-N 311.429 2.998 0 40 DFAB CC(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 27350887 XRBIZOIBOUYQJB-MRXNPFEDSA-N 316.332 2.883 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 75130993 XJGHIBFFZVNTNJ-ZDUSSCGKSA-N 314.389 2.788 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(N)=O 61112627 IWABFAXIGHUQPZ-NSHDSACASA-N 300.383 2.905 0 40 DFAB Cc1noc(CNC(=O)NCc2ccccc2CC(C)C)n1 527797182 MZNNUPQMFHZVTF-UHFFFAOYSA-N 302.378 2.576 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34857588 VDYVABAKTVYRMT-UAGQMJEPSA-N 314.429 2.730 0 40 DFAB CC[C@@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1 79310097 OHOMBWFKLIXIAD-SECBINFHSA-N 318.236 2.691 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H]3CCN(CC(F)F)C3)coc2c1 520766717 XXQSHNKDKYAELV-ZDUSSCGKSA-N 322.355 2.739 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 45952634 GNVLUCLFANEHGD-QMMMGPOBSA-N 302.157 2.909 0 40 DFAB COC(=O)c1cc(NC2CCOCC2)ccc1Br 195555834 QULSRBHIOGKOID-UHFFFAOYSA-N 314.179 2.827 0 40 DFAB Cc1nnc(CN2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)o1 81518512 MAVKECPHGZIULR-YPMHNXCESA-N 324.425 2.503 0 40 DFAB CC(C)=CCNC(=O)NCc1cccc(CN2CCCC2=O)c1 190952963 AFYCHCDFGYOQLR-UHFFFAOYSA-N 315.417 2.574 0 40 DFAB Cc1ccsc1-c1nsc(NC(=O)N2CCC[C@@H]2CO)n1 97096071 PKVXRWXVHBJLJU-SECBINFHSA-N 324.431 2.564 0 40 DFAB COCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2 96084922 KVJUOTVWOBMEQS-UHFFFAOYSA-N 301.390 2.591 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H]2CCOC2)s1 96439426 GWUIUFGUJVRDHX-VXGBXAGGSA-N 311.451 2.753 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)nn1 97378593 KFCQRFDJMJSMEK-STQMWFEESA-N 318.421 2.853 0 40 DFAB O=C1CC[C@@]2(CCCN(Cc3ccccn3)CC2)N1CC1CC1 96217947 RTSLPYMKEHRHKN-LJQANCHMSA-N 313.445 2.839 0 40 DFAB CCOC(=O)c1sc(NC(=O)[C@H](C)n2cccc2)nc1C 96486422 WLFSAFUJAHZALQ-JTQLQIEISA-N 307.375 2.629 0 40 DFAB C[C@H](C(=O)NCc1ccc(-c2cccnc2)cc1)n1cccn1 96433318 HDFJMIRJYVCKLX-CQSZACIVSA-N 306.369 2.823 0 40 DFAB CC(=O)N[C@H](C)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 96296833 NDZAVAAFZLGLBN-SSDOTTSWSA-N 308.721 2.890 0 40 DFAB biogenic,in-vitro Cc1nn(C)c(C)c1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 90201545 DJNBKAWDXOUTKF-AWEZNQCLSA-N 322.453 2.526 0 40 DFAB Cc1ncsc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107590 IXCGCUIGNCLWLW-HOCLYGCPSA-N 308.447 2.612 0 40 DFAB CC(C)NC(=O)C[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1 96048159 RGTQBJWAHBZQGO-HNNXBMFYSA-N 320.433 2.565 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1nccs1 97227837 BPTBCSSPIDJHQW-OUAUKWLOSA-N 309.391 2.609 0 40 DFAB Cc1csc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)c1 257342956 ZQTLQUFRBUYRME-GFCCVEGCSA-N 317.414 2.671 0 40 DFAB COCCC(=O)N1CCC[C@@](C)(c2nc(C)n3ccsc23)C1 257263511 LQFPCSRCXXXKBF-MRXNPFEDSA-N 321.446 2.621 0 40 DFAB CCc1sc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc1C 253370416 QQDPZMADRRAUDO-MJVIPROJSA-N 317.476 2.777 0 40 DFAB O=C(NCc1ccnnc1)c1ccnc(Cc2cccc(F)c2)c1 257212313 CCTWANSQCFBPFK-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB COC(=O)c1ccnc(OCC(F)(F)F)c1Br 725325841 AZHHBYWRRZQLNE-UHFFFAOYSA-N 314.057 2.572 0 40 DFAB CO[C@H]1CN(C(=O)c2cnoc2)CC[C@@H]1Cc1ccccc1C 585278796 GLKIYQVPQGSXSB-WBVHZDCISA-N 314.385 2.703 0 40 DFAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nncs1 43137754 SKDXBPCTXXSVNW-UHFFFAOYSA-N 317.418 2.802 0 40 DFAB Cn1cc([C@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)cn1 681293872 CHVIFZJBFGWKSG-INIZCTEOSA-N 322.412 2.781 0 40 DFAB Cc1occc1C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 58641980 IPNHLVQXRDLMRS-LLVKDONJSA-N 321.398 2.825 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(Oc2nncs2)CC1 825597718 OPVLPEZAFFYMDP-UHFFFAOYSA-N 323.805 2.875 0 40 DFAB O=C(Nc1ccc(O)c(Cl)c1)c1[nH]ncc1Br 97236674 KBMAQKJCEFYHAF-UHFFFAOYSA-N 316.542 2.784 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2cc(C)on2)cs1 1615189372 KJCJPRTVDVBFDI-ZDUSSCGKSA-N 306.391 2.735 0 40 DFAB C[C@H]1OCC[C@@H]1C(=O)N1CCc2cc(Br)ccc2C1 225387836 MRCVCNJJYOBMPD-YGRLFVJLSA-N 324.218 2.759 0 40 DFAB COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 575441412 NONJHXVASFECAD-RKDXNWHRSA-N 311.300 2.595 0 40 DFAB COc1cc(C)c(C(=O)CCC(=O)N[C@H]2CCCOC2)cc1C 12194440 ZPWDUJTZCLILRJ-AWEZNQCLSA-N 319.401 2.570 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(CCCOc2ccc(F)cc2)C1=O 17478861 VBJGUWOEIHAKSC-AWEZNQCLSA-N 308.353 2.561 0 40 DFAB COc1cccc(NC(=S)NCCCN2CCCCC2)c1 18162529 XBHKZDPUROZYJC-UHFFFAOYSA-N 307.463 2.858 0 40 DFAB Cc1ccc([C@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1 19784084 NKMPWAWPCYBNLY-HNNXBMFYSA-N 309.321 2.807 0 40 DFAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 205414261 CDPJLNYCMMNHRZ-PVSQZPHNSA-N 324.446 2.607 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2cnc3ccccc3n2)CC1 1057868279 WLYNLKJHNHMOTH-UHFFFAOYSA-N 312.417 2.761 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NCCCOCC1CC1 39996926 DZICRIWUNPMNCG-UHFFFAOYSA-N 300.402 2.883 0 40 DFAB Cc1cccn2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc12 70911 ZSRGLOMNYAUELM-UHFFFAOYSA-N 315.398 2.560 0 40 DFAB Cn1cnc2c(N3CC4(CC(c5ccccc5)C4)C3)ncnc21 1775970238 ITJZDUVTGNJIKV-UHFFFAOYSA-N 305.385 2.747 0 40 DFAB c1ccc(N2C[C@@H]3CN(Cc4cc(C5CC5)on4)C[C@H]3C2)nc1 2298049372 FPDAUCKMUHGBBR-GJZGRUSLSA-N 310.401 2.515 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCn1ccc2ccccc21 31593291 LLXWJSPBUFADQN-INIZCTEOSA-N 322.412 2.959 0 40 DFAB Cc1cccc2nc(CN3CCN(c4ccccc4O)CC3)cn12 40539394 JWLVYLVWEFDDJR-UHFFFAOYSA-N 322.412 2.671 0 40 DFAB CCn1ccnc(N2CC[C@H](Oc3ccccc3Cl)C2)c1=O 91015097 WEFSZFJSHDHHOG-LBPRGKRZSA-N 319.792 2.574 0 40 DFAB CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 410409 CZEDURUAJVRYEI-UHFFFAOYSA-N 316.430 2.584 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 69743078 UJRDOBKFOIJOPK-CYBMUJFWSA-N 309.373 2.545 0 40 DFAB O=C(O[C@@H]1C(=O)Nc2cc(Br)ccc21)c1ccco1 101432174 ZZOJIEUQDYXDEU-NSHDSACASA-N 322.114 2.892 0 40 DFAB c1cnn(C[C@@H]2CCCN2Cc2ccc(-n3cccn3)cc2)c1 69741856 AWTAJDZKTUFOAS-SFHVURJKSA-N 307.401 2.733 0 40 DFAB CCn1nc(C(=O)NCC2CCCCC2)c2ccccc2c1=O 2622544 YGWNTFBDRPTPMK-UHFFFAOYSA-N 313.401 2.727 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 32645679 ICXKAEQIBRAQKF-UHFFFAOYSA-N 321.336 2.739 0 40 DFAB CCCN1C(=O)c2[nH]nc(C)c2[C@@H]1c1cc(OC)ccc1OC 4909633 BVJZNCYAAPLDEH-INIZCTEOSA-N 315.373 2.691 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 7405058 OFNBALPQPVOKHA-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB CCOC(=O)CN(CC(=O)Nc1ccc(C)cc1Cl)C1CC1 58167086 KNTCYZKDINWOGL-UHFFFAOYSA-N 324.808 2.614 0 40 DFAB CCOC(=O)N[C@@H](C(=O)Nc1nc(C2CC2)cs1)C(C)C 32912242 XNPMSEYMIZFZER-LLVKDONJSA-N 311.407 2.730 0 40 DFAB COc1cc2nc(-c3ccsc3)n(C)c(=O)c2cc1OC 32938036 IJFIVOAWGRHPTK-UHFFFAOYSA-N 302.355 2.679 0 40 DFAB COC(=O)/C=C/c1ccc(OCC(=O)C(C)(C)C)c(OC)c1 58157206 AUWKTXHXOWGWNZ-VQHVLOKHSA-N 306.358 2.875 0 40 DFAB C[C@H](CNC(=O)C(=O)Nc1ccccc1F)c1ccccc1 9232503 GDEOHXQXNSXHQH-GFCCVEGCSA-N 300.333 2.684 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(C2CC2)n[nH]1 22239660 IVQXPGVINWPOTO-SNVBAGLBSA-N 314.414 2.752 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ncccc2C)n1 47096638 MBYHRLPUEYMKJA-NSHDSACASA-N 301.394 2.661 0 40 DFAB Cc1ccc(C)c(OCC(=O)Nc2cccnc2-n2cccn2)c1 23170915 DWQKNPQCLIPGRI-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB COc1cccc([C@H](CNC(=O)Nc2nccs2)N(C)C)c1 42652170 UXGKVOPTUWNDCG-ZDUSSCGKSA-N 320.418 2.576 0 40 DFAB O=S(=O)(c1ccc(F)cc1)N1CCCc2cccc(O)c21 1006984 YXPILEOCYYDRBI-UHFFFAOYSA-N 307.346 2.673 0 40 DFAB CC(C)[C@@H](C)NS(=O)(=O)c1ccccc1Br 23994047 PVNOHXLEUHNZKR-SECBINFHSA-N 306.225 2.772 0 40 DFAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1 12504633 BDRAAOIUYHVTNF-RAXLEYEMSA-N 304.415 2.979 0 40 DFAB O=C(CN1CCC[C@@H]1C1CCCC1)N1CCO[C@H]2CCCC[C@H]21 106752964 CARMCNYUZHDJQT-KURKYZTESA-N 320.477 2.811 0 40 DFAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(CO)cc1 3288357 IZGKRSDHBGIWFB-UHFFFAOYSA-N 310.309 2.586 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1 10028869 NUDPSVZXTMMXLL-GFCCVEGCSA-N 302.330 2.784 0 40 DFAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)no1 44866989 NZAHPRXVZGWLCJ-AWEZNQCLSA-N 303.362 2.533 0 40 DFAB NC(=O)c1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 58355691 AMZPDXNQLPGBQE-KRWDZBQOSA-N 323.396 2.561 0 40 DFAB Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cn1 58342558 ZMCCCCXLQSMTJT-OLZOCXBDSA-N 320.190 2.925 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 58433721 ZQPWTIFTNQKAKC-UHFFFAOYSA-N 309.431 2.933 0 40 DFAB COC(=O)c1ncn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)n1 58403910 MOVZBAFMMUEVHA-CYBMUJFWSA-N 320.368 2.538 0 40 DFAB O=C(O)CCSC[C@H](O)COc1ccc2ccccc2c1 12743225 IXXMWRBSHFZZMW-CQSZACIVSA-N 306.383 2.787 0 40 DFAB CC(C)[C@@H](NC(=O)NCCCn1cccn1)c1ccccc1 45149924 OSYKNWGMAOATKV-MRXNPFEDSA-N 300.406 2.970 0 40 DFAB O=C(O)c1c[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c1=O 20156297 GABWPBPVYBSJEG-UHFFFAOYSA-N 316.260 2.612 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)c1cccc(F)c1 48261966 FMIWGWGHLSOSPI-AWEZNQCLSA-N 318.279 2.515 0 40 DFAB O=C1CN(C(=O)/C=C/c2nc3ccccc3o2)c2ccccc2N1 8346195 UKHAEHIKLYTUIX-MDZDMXLPSA-N 319.320 2.826 0 40 DFAB O=C(NCCCCOc1ccccc1)c1ccc2[nH]nnc2c1 28813997 ICSNKDOPDRKUOE-UHFFFAOYSA-N 310.357 2.547 0 40 DFAB O=C(COc1nncc2ccccc12)Nc1ccc(F)c(F)c1 3437816 HEUBITJBDDKWCB-UHFFFAOYSA-N 315.279 2.926 0 40 DFAB O=C(COc1ncnc2sc3c(c12)CCCC3)N1CCCC1 3599650 ARHQVJOOCBEQPV-UHFFFAOYSA-N 317.414 2.571 0 40 DFAB O=C(CCC(=O)c1ccccc1)NCc1ccc(C(=O)O)cc1 13092170 KJAIHUSKAZJFIL-UHFFFAOYSA-N 311.337 2.664 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)nc1 14061130 AENWVOWLYNEGGA-UHFFFAOYSA-N 315.348 2.618 0 40 DFAB CC(C)c1cc(=O)oc2cc(OCC(=O)N3CCCC3)ccc12 14202070 ZQTXWNDIVZQRDO-UHFFFAOYSA-N 315.369 2.918 0 40 DFAB NC(=O)c1cc(-c2csc(-c3ccc(O)cc3)n2)ccc1O 14231114 QAMPGSSRCQOXMQ-UHFFFAOYSA-N 312.350 2.987 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)c1cc(Cl)ccn1 6820710 HIMWJIQMYXZYJO-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB COC(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 6851601 KBBMEAFVIRILHF-UHFFFAOYSA-N 317.772 2.986 0 40 DFAB C[C@H](NC(=O)CSc1nncs1)c1ccc(F)cc1F 7194486 IVNMBBOSFKTQLT-ZETCQYMHSA-N 315.370 2.786 0 40 DFAB CCC(=O)Nn1cnc2scc(-c3cccs3)c2c1=O 8876358 WFARZAQLNUDALX-UHFFFAOYSA-N 305.384 2.667 0 40 DFAB CCn1c(CN(C)C(=O)c2ccc(OC)nc2)nc2ccccc21 68005191 QUPXKIMCSMNQRF-UHFFFAOYSA-N 324.384 2.732 0 40 DFAB Cc1cc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)sc1C 82980061 XVYUWUXEERRDEW-CYBMUJFWSA-N 308.447 2.919 0 40 DFAB CC[C@@H]1CN2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1F 89949304 MNTZGVJPCGZNPY-HUUCEWRRSA-N 319.424 2.713 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 96455171 UQZJOAUBPHSWSZ-MJBXVCDLSA-N 315.417 2.800 0 40 DFAB CCc1cccc2c(CCNC(=O)NC[C@@H]3CCOC3)c[nH]c12 71897679 NSKMHOSVPKJNOH-ZDUSSCGKSA-N 315.417 2.609 0 40 DFAB CC[C@H](C)NC(=O)c1cc(Br)c2c(c1)OCCO2 71849931 VIMKKYOMOYOWAM-QMMMGPOBSA-N 314.179 2.749 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 72234558 TXSKHKUXZUBDMQ-ROUUACIJSA-N 314.429 2.806 0 40 DFAB CC(C)Cc1noc(CONC(=O)C(C)(C)c2ccccc2)n1 72281936 FIAWLCQFJKWLRA-UHFFFAOYSA-N 317.389 2.794 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)NC1CCN(C)CC1 72299677 SHLFURILVNRFDC-GFCCVEGCSA-N 309.841 2.659 0 40 DFAB CCc1nc(CCNC2CCN(c3nccs3)CC2)cs1 97237305 QEZNTBZWRSBHHF-UHFFFAOYSA-N 322.503 2.963 0 40 DFAB CCCC[C@H](CC)CNC(=O)c1cccc(-n2nnnc2C)c1 72404149 DNLMVNOGRCUZKV-AWEZNQCLSA-N 315.421 2.917 0 40 DFAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)CC(=O)N2 95367893 HHCFCKFLWWKESM-SECBINFHSA-N 311.341 2.538 0 40 DFAB C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CCOCC1 95426249 BFKAHWKQDJLVGB-UKRRQHHQSA-N 310.438 2.593 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2nccn2C(F)F)cc1C 77935674 HXSOWKZTOBJEQZ-UHFFFAOYSA-N 300.330 2.869 0 40 DFAB C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc2S1 88224045 NWKPEVDXQSZONR-LLVKDONJSA-N 300.383 2.526 0 40 DFAB CC(C)c1ncc(CN2CCC[C@H](Cn3cncn3)C2)s1 95972230 AXFANUMSBMGYCH-ZDUSSCGKSA-N 305.451 2.770 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cncc(Cl)c1 95974260 FXFMFZDITREDSA-SNVBAGLBSA-N 308.790 2.875 0 40 DFAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccco1 95970089 KAOZNEYWUDJKBI-UHFFFAOYSA-N 309.268 2.675 0 40 DFAB C[C@H](O)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 95979920 BJFLVPWYOPRIMT-JTQLQIEISA-N 313.332 2.612 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(C)on2)cc1 74517481 ZCNOOUYYHYFXNE-ZBFHGGJFSA-N 300.358 2.942 0 40 DFAB CCOC(=O)c1cc(NC(=O)c2ccc(-n3cccc3)nc2)c[nH]1 79055495 WSRWRQDPMXVMTQ-UHFFFAOYSA-N 324.340 2.629 0 40 DFAB NC(=O)c1ccc(C(=O)N2CCC3(CCCCCC3)C2)cc1 75106387 ARCJPODGRZYFMZ-UHFFFAOYSA-N 300.402 2.972 0 40 DFAB 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PRGMUVYKIKHXOJ-UHFFFAOYSA-N 322.206 2.730 0 40 DFAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccncc2)cc1 225269094 JXYJJJXLLWRKQX-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nccs1 223258216 FSMQOCMDJGAUDK-UHFFFAOYSA-N 318.807 2.996 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCC[C@H](Oc2cccnn2)C1 225453667 JYWMAZUCKONGKC-AWEZNQCLSA-N 323.352 2.906 0 40 DFAB CSc1ccccc1C(=O)N1CCOC[C@H]1c1cccn1C 194379437 IABQVLMIUKKINK-HNNXBMFYSA-N 316.426 2.961 0 40 DFAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C(N)=O)cn1 89828314 XWSFGIQXMOXIQJ-INIZCTEOSA-N 323.396 2.798 0 40 DFAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccnc1 225455536 CAZJGMZNXBUUCR-UHFFFAOYSA-N 309.398 2.754 0 40 DFAB Cc1nccn1Cc1cccc(CNC(=O)c2cccc(O)c2)c1 97236786 IYTYDYTXVGXMTM-UHFFFAOYSA-N 321.380 2.875 0 40 DFAB Cc1cc(C)n2cc(CN(C[C@H](C)O)c3ccccc3)nc2n1 96424744 AUORMXPMYBWXRQ-HNNXBMFYSA-N 310.401 2.734 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)Nc2nnc(C3CC3)s2)C12CCC2 96433753 OXELUOIWRYUGLN-WDEREUQCSA-N 322.434 2.885 0 40 DFAB CSc1cc(C)ccc1CNC(=O)NCCCn1ccnc1 96461910 FJDHTMQLTMUDFL-UHFFFAOYSA-N 318.446 2.803 0 40 DFAB C[C@@H](CN1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 97103855 JVKKQTKFBFTIQE-YOEHRIQHSA-N 308.853 2.850 0 40 DFAB CCOc1cc(F)ccc1N[C@@H]1CCN(CC(F)(F)F)C1=O 96459067 BEOSYQCHMCGOAE-LLVKDONJSA-N 320.286 2.800 0 40 DFAB CCC(C)(C)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 96408245 WDPZUHUTBOEXNR-OAQYLSRUSA-N 311.447 2.956 0 40 DFAB COC(=O)c1ccc(Cl)c(CN2CCC[C@@](C)(CO)C2)c1 96500529 JFZCVBBFUXQYLV-MRXNPFEDSA-N 311.809 2.721 0 40 DFAB Cc1ccc(CC(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)cc1 97235306 ROEIPCALZFFEGU-LLVKDONJSA-N 318.398 2.878 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 97095223 PQIIXFRJWCGKTL-SNVBAGLBSA-N 307.781 2.533 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@H](C)O1 96413401 LXNMEBBGDFPQMD-STQMWFEESA-N 314.389 2.728 0 40 DFAB c1csc(CN(C[C@H]2CCCO2)c2ncnc3[nH]cnc23)c1 96482720 UINOTMAMTHEMOO-LLVKDONJSA-N 315.402 2.600 0 40 DFAB C[C@H]1c2ccc(F)cc2CCN1C(=O)c1nccn2ccnc12 96444764 QKGZKTITSWGROS-NSHDSACASA-N 310.332 2.628 0 40 DFAB CCN(CC)c1ncc(CN2CC[C@H]3OCCC[C@H]3C2)s1 245339219 RHPAYJOOPHGBEA-DZGCQCFKSA-N 309.479 2.990 0 40 DFAB Cc1ccc(NC(=O)COc2ccc(-c3cnn(C)c3)cc2)nc1 252505142 VPORPXFQLMOCCQ-UHFFFAOYSA-N 322.368 2.808 0 40 DFAB Cc1cn[nH]c1[C@H]1COCCN1CCCOc1ccccc1F 257202279 ALDHRKQIEOBECM-OAHLLOKOSA-N 319.380 2.700 0 40 DFAB C[C@]1(O)CN(Cc2nccs2)CC[C@@H]1Oc1cccc(F)c1 257317835 VLIXHGHOAOUKTL-HOCLYGCPSA-N 322.405 2.687 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257213667 CIPOZMQPQOUTNG-AWEZNQCLSA-N 314.389 2.549 0 40 DFAB O=C(O)c1cccc(CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1 262225481 RPGQZYGDXBFNOM-KWOWKCNFSA-N 313.397 2.964 0 40 DFAB O=C(Cc1n[nH]c2ccc(F)cc12)NCCCc1ccccc1 85558459 IRUIIJUAGZYWSG-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB CCCCC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 575404604 SMOKELTVJIWSAN-OAHLLOKOSA-N 318.417 2.658 0 40 DFAB Clc1ccc2ncc(-c3cncc(C[C@H]4CCNC4)n3)n2c1 585262930 FASDIVHBXANDKA-LLVKDONJSA-N 313.792 2.597 0 40 DFAB C=CC(=O)N1CC[C@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 585292629 PVBIEOSJKMDPJM-AWEZNQCLSA-N 323.400 2.734 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cnsn2)c1 47610782 XAJANKJLSIOTMH-ZDUSSCGKSA-N 319.386 2.533 0 40 DFAB CS(=O)(=O)/N=C(\O)COC(c1ccccc1)c1ccccc1 48479947 LHBNOJSJNHYFPS-UHFFFAOYSA-N 319.382 2.709 0 40 DFAB COc1cccc(CNCc2ccc(CS(C)(=O)=O)cc2)c1 48779560 FOAKSILKVJJZMS-UHFFFAOYSA-N 319.426 2.530 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@H]1Cn1cncn1 69842278 QBEHMUKRGWKVDE-INIZCTEOSA-N 300.406 2.730 0 40 DFAB O=C(Cc1cn2ccsc2n1)NC1(c2cccc(F)c2)CC1 89774778 DDDHZSGPKPSENA-UHFFFAOYSA-N 315.373 2.883 0 40 DFAB Cc1nc(-c2cc(Cl)cc(Cl)c2)[nH]c(=O)c1CC(=O)O 217394342 BXVGWJRGLWMWON-UHFFFAOYSA-N 313.140 2.679 0 40 DFAB Cc1nc(I)c(C(=O)O)c(C)c1Cl 1772715709 VSCQSGMDNKINMZ-UHFFFAOYSA-N 311.506 2.655 0 40 DFAB O=C(NCCC[C@@H]1CCOC1)c1cnn(-c2ccc(F)cc2)c1 12204103 NMMWSIMUMYRPJK-CYBMUJFWSA-N 317.364 2.558 0 40 DFAB Cc1ccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 12545204 FJVYXBSRVUOMJM-CYBMUJFWSA-N 316.426 2.594 0 40 DFAB Cc1ccc(-c2cc(CC(=O)Nc3nnc(C)s3)no2)cc1 12863180 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Cc1cnn(C[C@@H]2CCCN2C(=O)c2sc(C)nc2C)c1 70019711 ZZSCHXSRGBAOFV-ZDUSSCGKSA-N 304.419 2.570 0 40 DFAB CCCC[C@@H](CC)CNC(=O)c1c(C)oc2nc[nH]c(=O)c12 29710828 GNBDUQQILJMTFM-LLVKDONJSA-N 305.378 2.771 0 40 DFAB COc1cccc(CN(C)CC(=O)Nc2cccc(C)c2C)n1 69769060 QCMYZFYYINBDRV-UHFFFAOYSA-N 313.401 2.778 0 40 DFAB CN(C)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 2645137 VXZAWZFSFJRXBB-UHFFFAOYSA-N 303.450 2.747 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1cccnc1 32348748 BOOILIQXXZSBGP-GFCCVEGCSA-N 304.777 2.861 0 40 DFAB CCN(CC)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 2449840 OIVIMSCROKOALQ-UHFFFAOYSA-N 303.362 2.546 0 40 DFAB COc1cc(OC)c(C(=O)Oc2ccccc2O)cc1OC 365236 VPURLDVCNBRDDO-UHFFFAOYSA-N 304.298 2.637 0 40 DFAB CN(Cc1ccncc1)C(=O)NCCc1ccc(N(C)C)cc1 69737526 TWZOXUSYWOTQKL-UHFFFAOYSA-N 312.417 2.532 0 40 DFAB COC(=O)Cc1ccc(NC(=S)N2CCC[C@@H](C)C2)cc1 477842 KZKVECHCWKVMNC-GFCCVEGCSA-N 306.431 2.831 0 40 DFAB CCOC(=O)N[C@H](C(=O)NCCSc1ccccc1)C(C)C 32911712 DJEGLOUASXOGHD-AWEZNQCLSA-N 324.446 2.666 0 40 DFAB CCCOc1cccc(C(=O)Oc2cccc(-n3cnnn3)c2)c1 21798514 ABWVUXSJEURBBG-UHFFFAOYSA-N 324.340 2.670 0 40 DFAB Cc1cnc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cn1 21759114 YSUFINCZKDOSEX-UHFFFAOYSA-N 314.370 2.740 0 40 DFAB Cc1nnc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1C 52611889 XXCUCBSIQFXTJY-CYBMUJFWSA-N 311.389 2.644 0 40 DFAB CN(CCc1ccncc1)C(=O)C1=NO[C@H](c2ccccc2)C1 69708311 BECHXOPMBLUADR-KRWDZBQOSA-N 309.369 2.600 0 40 DFAB O=C1Cc2cc(CCCC(=O)NC(C3CC3)C3CC3)ccc2N1 89800421 QRESGUDLEZWYQE-UHFFFAOYSA-N 312.413 2.809 0 40 DFAB CC(=O)c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)s1 21932719 LEFFDHGIPUPPFO-UHFFFAOYSA-N 317.366 2.952 0 40 DFAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 565145 ORTHIZOGJSFWBH-QGHHPUGFSA-N 315.756 2.999 0 40 DFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccn2)CC1=O 53280903 AMWHDRUSLSKDRI-DZGCQCFKSA-N 309.369 2.630 0 40 DFAB COc1cc(CNC(=O)c2cccc(F)c2)cc(OC)c1OC 9887845 LWFGMRVYNNZRTK-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB Cc1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)sc1C 53337038 XIMGLVNRZCCVPC-UHFFFAOYSA-N 316.426 2.883 0 40 DFAB NC(=O)CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 46973317 OLSMZXNFHCDJFC-UHFFFAOYSA-N 308.809 2.534 0 40 DFAB Cc1cnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 22795400 YMPVLDVCRWOJQW-UHFFFAOYSA-N 317.414 2.536 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)N1C[C@H]2CC=CC[C@H]2C1 76085203 LVIGXSONSNYLOY-CALCHBBNSA-N 322.412 2.980 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)no1 76043971 CCVNPTFZFQZRKN-CQSZACIVSA-N 314.389 2.713 0 40 DFAB COc1cc(Cl)ccc1C(=O)NCCCc1cn[nH]c1C 50183650 KFKIJKKSGJZRQC-UHFFFAOYSA-N 307.781 2.743 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCCC(=O)N2CCCCC2)s1 54735185 IYTGJTXWCJUENW-ZDUSSCGKSA-N 323.462 2.819 0 40 DFAB COc1ccc(CN2CCCN(c3nnc(C)s3)CC2)cc1 77487120 YRNHPFSBOGJDQO-UHFFFAOYSA-N 318.446 2.567 0 40 DFAB O[C@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccc(F)c(F)c1 106783875 PEZOCEZKWUCQFR-RHSMWYFYSA-N 321.371 2.749 0 40 DFAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC1CCCC1 57315238 VFLIDQJAQGGROQ-UHFFFAOYSA-N 321.852 2.521 0 40 DFAB O=C(CN1C(=O)COc2cc(Cl)ccc21)Nc1ccccc1 44841794 HJHBIFXNJBJVDI-UHFFFAOYSA-N 316.744 2.704 0 40 DFAB Clc1ccc(-c2nnc3sc(Cn4cccn4)nn23)cc1 44892871 HTPZZXDESWBQIR-UHFFFAOYSA-N 316.777 2.751 0 40 DFAB COc1ccc([C@@H](CNC(=O)Nc2nccs2)N(C)C)cc1 44907001 ZHOUTUFXPKWFGX-CYBMUJFWSA-N 320.418 2.576 0 40 DFAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(F)cc2)s1 58356103 IBJBVEIOBHUPER-UHFFFAOYSA-N 321.377 2.634 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ncccc1O 45574569 UVZDJMNGJHPPKA-UHFFFAOYSA-N 312.354 2.866 0 40 DFAB CC1CCC(N(C)C(=O)[C@H]2CCCN(c3cnccn3)C2)CC1 48333050 RRVFNELEDAEYME-PCKAHOCUSA-N 316.449 2.730 0 40 DFAB C[C@H](O)c1ccccc1NC(=O)CN1CCc2sccc2C1 12896578 JDHRSOWRQZDFGD-LBPRGKRZSA-N 316.426 2.798 0 40 DFAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1 3423808 RQEWPQCSBYNEOA-UHFFFAOYSA-N 313.748 2.632 0 40 DFAB CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c2cccnc12 69561216 LZRIWBIPPPVTTJ-AWEZNQCLSA-N 303.793 2.599 0 40 DFAB CCO[C@@H](C(=O)OCc1ccc2[nH]nnc2c1)c1ccccc1 69653392 RYTZGOCEVAGFEN-MRXNPFEDSA-N 311.341 2.779 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)NCCc1ccc(C(=O)O)cc1 13443070 QCEWEBVABNWFQC-CYBMUJFWSA-N 313.353 2.511 0 40 DFAB NC(=O)NC(=O)CCCSc1nc2ccc(Cl)cc2o1 69807674 OFMCCIIAJPRVHK-UHFFFAOYSA-N 313.766 2.548 0 40 DFAB Cc1csc(N2CCN(CCc3ccncc3)C[C@@H]2C)n1 69874865 RSLQAWKSYPTRRP-AWEZNQCLSA-N 302.447 2.600 0 40 DFAB CCN(CC)CCNc1ncnc2c1[nH]c1cc(OC)ccc12 5071855 PPEQGELAPPQZGN-UHFFFAOYSA-N 313.405 2.873 0 40 DFAB Cc1ccc(NC2CCN(C(=O)c3ccsc3)CC2)nn1 69901650 XSNCFUPPHWUVSO-UHFFFAOYSA-N 302.403 2.563 0 40 DFAB O=C(/C=C/c1ccncc1)NCCc1nc2c(s1)CCCC2 69951213 PVSXOEWKZFZMJN-AATRIKPKSA-N 313.426 2.789 0 40 DFAB O=C(COc1cccc2ccccc12)NC1CCN(C2CC2)CC1 14161923 DHDMWPGDGAVGGR-UHFFFAOYSA-N 324.424 2.962 0 40 DFAB O=C(CC1(C(=O)O)Cc2ccccc2C1)NCc1cccs1 65610655 GARIIEOLJMUYQV-UHFFFAOYSA-N 315.394 2.624 0 40 DFAB Cc1noc([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n1 65607342 XITZXJCLWHYRQA-MRVPVSSYSA-N 313.279 2.817 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CCO2)COCCN1 306145280 AHFBODVLXBQWGS-KRWDZBQOSA-N 320.389 2.631 0 40 DFAB S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3 5631116 VNGYQBMDQMDALH-UHFFFAOYSA-N 320.428 2.704 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccc[nH]1)c1ccc2ccccc2c1 96009080 UKWWXZWWTFNSKJ-MRXNPFEDSA-N 308.337 2.812 0 40 DFAB CN1CCN(c2ccccc2NC(=O)C2CCCCC2)CC1 7105717 KIJPKETWRWKCFZ-UHFFFAOYSA-N 301.434 2.957 0 40 DFAB Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN1CCOCC1 19793263 QUSXZQWCTRINDO-UHFFFAOYSA-N 306.793 2.631 0 40 DFAB Clc1nc(Nc2ccc3c(c2)OCCO3)c2nc[nH]c2n1 9422902 IQPWYXPBQOAEHR-UHFFFAOYSA-N 303.709 2.521 0 40 DFAB O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 96480473 UDFYSCVLZIFRAM-JKSUJKDBSA-N 313.328 2.944 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71874994 HRCCKZHNMRFOSV-OAHLLOKOSA-N 307.401 2.827 0 40 DFAB CCc1noc(C)c1C(=O)N(CC(=O)OC)c1cccc(F)c1 83817405 LBYYIQKFFONYDI-UHFFFAOYSA-N 320.320 2.504 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 83927561 PRFKULIDNZWQDM-IHRRRGAJSA-N 306.431 2.732 0 40 DFAB CC(C)Oc1nccnc1NCc1ccc(C(=O)N(C)C)cc1 97059106 OJBNWAVVFUAFGJ-UHFFFAOYSA-N 314.389 2.578 0 40 DFAB Cc1cccc(CNC(=O)COc2ccc(C(C)(C)O)cc2)c1 97047974 LGJOSHPXYVQCEE-UHFFFAOYSA-N 313.397 2.918 0 40 DFAB Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1 72298768 RZYZADPNINPKGO-CQSZACIVSA-N 318.446 2.753 0 40 DFAB O=C(NCc1ccc2c(c1)CCC2)N[C@@H]1CCO[C@H](C2CC2)C1 97142541 WRXYCEGAFOHSEC-MSOLQXFVSA-N 314.429 2.932 0 40 DFAB CCN1CCc2ccc(NC(=O)N[C@H](C)c3cnn(C)c3)cc21 95403901 XVCHOSAGUQBNGC-GFCCVEGCSA-N 313.405 2.685 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)c1c[nH]c2cc(F)ccc12 95465626 AZPQGCXETQOQBS-UHFFFAOYSA-N 319.380 2.685 0 40 DFAB CCOc1ccccc1N(C)C(=O)c1cccc(-n2cccn2)n1 95438325 MZNNDCQLELULJV-UHFFFAOYSA-N 322.368 2.943 0 40 DFAB CN(c1ncc(Cl)cc1F)C1CCN(c2ncccn2)CC1 95408934 XMAMRAAJIGPAAY-UHFFFAOYSA-N 321.787 2.769 0 40 DFAB CCOc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncn1 79438883 GDNNLGBOKRKTSU-UHFFFAOYSA-N 322.409 2.687 0 40 DFAB in-vitro CN1CCC(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CC1 73846487 BWPYIGQIKAVVKE-OAHLLOKOSA-N 304.409 2.559 0 40 DFAB CC[C@](CO)(NCc1ccc([S@](C)=O)cc1)c1ccccc1 85325072 ATRIFICXLGXVIU-XMSQKQJNSA-N 317.454 2.811 0 40 DFAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccccc1 95956082 AKYTWTCTVPLZRA-UHFFFAOYSA-N 315.442 2.504 0 40 DFAB Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c(=O)[nH]1 75122004 SJMUAXNUHJPUJD-MRXNPFEDSA-N 311.385 2.836 0 40 DFAB CCc1cc(C(=O)Nc2cc(-c3nnco3)ccc2C)c(C)nn1 544736226 DJQFKRCIIDMUEX-UHFFFAOYSA-N 323.356 2.958 0 40 DFAB Cc1ccc(S(=O)(=O)CCN2CCc3ccccc3C2)cc1 31938725 UMMWRLRSKCERRQ-UHFFFAOYSA-N 315.438 2.827 0 40 DFAB Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1 32918840 IZYJRQINJJIWRM-UHFFFAOYSA-N 312.398 2.881 0 40 DFAB O=C(Nc1c(F)cccc1F)N1CC(c2nc(C3CC3)no2)C1 70637034 RFNBBSMTCCCHGV-UHFFFAOYSA-N 320.299 2.857 0 40 DFAB CNC(=O)c1c(C)cccc1NC(=O)CO[C@@H]1CCCC[C@H]1C 79040255 VECUKXUGGJIYHB-IUODEOHRSA-N 318.417 2.888 0 40 DFAB CN(CC1CCC1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 78615300 FGBDZNPTQKNDPO-ZDUSSCGKSA-N 306.431 2.611 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)NCc2cccs2)n1 72240379 SGDPZKRQHFIQNB-UHFFFAOYSA-N 304.419 2.623 0 40 DFAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 73269822 PWQVNYPRRVBHJV-GFCCVEGCSA-N 317.389 2.983 0 40 DFAB COCC[C@@H](C)Nc1ccc(C(=O)Nc2ccccc2)nn1 77958946 NCRGMUPCCODXBT-GFCCVEGCSA-N 300.362 2.566 0 40 DFAB COc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72211703 LPOFCLOSBLIQMU-UHFFFAOYSA-N 308.378 2.968 0 40 DFAB CCOC(=O)C[C@@H](C)SCc1cn2c(C)cc(C)nc2n1 79359003 LMFFYPIFUMDZEW-GFCCVEGCSA-N 307.419 2.921 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)OCc3ccccn3)CC2=O)cc1 36147785 PXGXCLQBJBYLSA-OAHLLOKOSA-N 324.380 2.740 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C(C)(C)CO1 36075999 UZWVLXXXKVREDJ-QMMMGPOBSA-N 309.840 2.590 0 40 DFAB C[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccc[nH]2)CC1 78915061 LMTROSFGALRAFP-ZDUSSCGKSA-N 301.365 2.673 0 40 DFAB Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)NCc1ccco1 32530711 TUZNMSGVEAACIE-UHFFFAOYSA-N 324.380 2.836 0 40 DFAB CN(C)CCCNC(=O)c1nnsc1-c1ccc(Cl)cc1 72242908 WQJZDDGOSVHBMP-UHFFFAOYSA-N 324.837 2.540 0 40 DFAB CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCn1cccc1 1565519199 UHFRTXYETPZKIP-QZTJIDSGSA-N 317.477 2.991 0 40 DFAB biogenic Cc1cc(C)nc([C@H]2CCN(Cc3nc4ccccc4n3C)C2)n1 72369650 BLSJKMWTWYZUBF-HNNXBMFYSA-N 321.428 2.970 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)n(C)n1 562863715 FSDHFUNKCYFWHV-HOCLYGCPSA-N 304.438 2.744 0 40 DFAB COC(=O)Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21 226101820 JLCYDQNYXLKJPH-UHFFFAOYSA-N 309.321 2.967 0 40 DFAB C/C=C/C=C/C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 40090629 KKRHNNRQWSBKEU-KHVHPYDTSA-N 314.385 2.759 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C1 227154485 XOKBTMNGVFVFFE-SJKOYZFVSA-N 304.365 2.967 0 40 DFAB Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCC[C@@H](C)C1 226852457 GUGBVCDOJOFNJS-CQSZACIVSA-N 313.401 2.818 0 40 DFAB CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)C1CC1 225715394 AMESPHCLBSYRDW-CYBMUJFWSA-N 324.446 2.608 0 40 DFAB Cc1cc(-c2nc(-c3cnccn3)no2)c2cnn(C(C)C)c2n1 84508468 QXWQQPOLRIDGRZ-UHFFFAOYSA-N 321.344 2.828 0 40 DFAB CC(C)CNC(=O)COc1nn(-c2ccccc2)cc1Cl 227151908 SRVJFVXSGRBWFV-UHFFFAOYSA-N 307.781 2.677 0 40 DFAB O[C@H](CN[C@@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 195560604 MBDJYMICKPBJSC-ZBFHGGJFSA-N 313.332 2.621 0 40 DFAB COc1cccc([C@@H](O)CN(C[C@@H](C)O)c2ccccc2)c1 96406585 ZHQHDXCANIWZHV-KDOFPFPSSA-N 301.386 2.616 0 40 DFAB Cc1cc(=O)c(C(=O)NC2(c3ccc(F)cc3F)CCC2)c[nH]1 95448125 RNSNKACPYYOAOD-UHFFFAOYSA-N 318.323 2.771 0 40 DFAB CS[C@H]1CCCC[C@H]1NC(=O)NCc1ccn(C(C)C)n1 96417815 DJPOAQSPAWELCU-KGLIPLIRSA-N 310.467 2.937 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1cc(C2CC2)on1)OC 96384775 XKCBEKFZTUKFCQ-MRXNPFEDSA-N 316.357 2.678 0 40 DFAB Cn1c(C(=O)NCc2nc(C3CC3)no2)ccc1-c1ccccc1 96425375 BQQNNFLJQRSYPH-UHFFFAOYSA-N 322.368 2.883 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccnc2)c2cc(Cl)ccc2O1 96428698 RKUPHYGFUMYFPB-JTQLQIEISA-N 324.789 2.711 0 40 DFAB O=C(NCCNc1ccccn1)[C@@H]1SCCc2ccccc21 96435994 FHSGOUFCFSORHB-MRXNPFEDSA-N 313.426 2.640 0 40 DFAB CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 96111781 SNPMLDOTBQOJNF-RDJZCZTQSA-N 308.381 2.685 0 40 DFAB biogenic,in-vitro O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1ccccn1 96239156 ASRXGKWEWKRWIL-QGZVFWFLSA-N 313.426 2.772 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 252504683 COPNRBGCMYZHMV-IDCJVQTKSA-N 310.482 2.804 0 40 DFAB C[C@]1(O)CN(Cc2cscn2)CC[C@@H]1Oc1cccc(F)c1 257263203 LOWIKJBYBUGFTM-HOTGVXAUSA-N 322.405 2.687 0 40 DFAB Cc1cc2nc([C@@H]3CCCCN3CC3CCOCC3)ccn2n1 257275653 NQHGZZVSNHQPNX-KRWDZBQOSA-N 314.433 2.991 0 40 DFAB CCCn1ccc(C(=O)N2CCC[C@]2(C)c2nccc(C)n2)n1 257287515 PQHPYPOVGISECY-QGZVFWFLSA-N 313.405 2.543 0 40 DFAB CC(C)CN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 575420746 KBNFAMNHVNPHDU-OAHLLOKOSA-N 315.866 2.985 0 40 DFAB C[C@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)n1cncn1 69571545 QOQLTIYEKKPEJH-UONOGXRCSA-N 324.384 2.576 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)o1 71870171 OIGNXOSZXXIGLS-CQSZACIVSA-N 301.390 2.960 0 40 DFAB Cn1cc([C@H](OC(=O)c2ccncc2Cl)C(F)(F)F)cn1 75029789 XSCBQENCZICBKJ-JTQLQIEISA-N 319.670 2.929 0 40 DFAB Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2nccs2)C1 585320125 KFQHRIKQJPOECX-CYBMUJFWSA-N 318.398 2.510 0 40 DFAB CN1C(=O)c2cccc(NC(=O)/C=C/c3cccs3)c2C1=O 4263824 ZUEQHRLJGGHBFJ-BQYQJAHWSA-N 312.350 2.626 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1COc2ccccc2O1 5557407 LFKWGUUXZADVPX-DUKHMXAISA-N 313.397 2.911 0 40 DFAB COCCNC(=S)N(Cc1c(F)cccc1Cl)C1CC1 14706685 ANJNKVPOFGZWMV-UHFFFAOYSA-N 316.829 2.964 0 40 DFAB O=C([C@H]1CC=CC[C@H]1C(=O)N1CCCCC1)N1CCCCC1 17379941 PVNMJVJJFGBHCH-IYBDPMFKSA-N 304.434 2.594 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)C[S@](=O)C2 212325 ZXZPOBTXFMAOAV-JOCHJYFZSA-N 323.462 2.919 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1ccncc1 7184116 SGYBTCVELMVGOP-LBPRGKRZSA-N 312.369 2.713 0 40 DFAB O=C(Nc1ccccc1Cl)N1CCN(c2cnsn2)CC1 1889149122 RDFGNBXEZGMMIZ-UHFFFAOYSA-N 323.809 2.546 0 40 DFAB COCCN1CCC[C@]12CCCN(C(=O)c1ccsc1)CC2 1614928442 OHXWDHUBRIRISA-KRWDZBQOSA-N 322.474 2.855 0 40 DFAB CCCn1c(=O)c2sccc2n(Cc2ccccc2F)c1=O 1565520490 WKKRJVFCZHOMSC-UHFFFAOYSA-N 318.373 2.822 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1cc2c3c(c1)CCN3C(=O)CC2 5153357 KQYFXJDYHBZCJV-UHFFFAOYSA-N 324.355 2.842 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc2C1 9034840 FATRXRBESTYHKV-UHFFFAOYSA-N 312.344 2.983 0 40 DFAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)C)o1 15881414 KMMXXVLRGJFIJF-UHFFFAOYSA-N 312.373 2.778 0 40 DFAB Cn1c(N2CCC(C(F)(F)F)CC2)nc2ccsc2c1=O 2086868837 QUBJJHKSPKFGSA-UHFFFAOYSA-N 317.336 2.774 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)NC1CCC(C)CC1 40526987 UPCAVWBWENKXTI-UHFFFAOYSA-N 303.406 2.675 0 40 DFAB CN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12 173707 YDHGKNGVXOEORK-UHFFFAOYSA-N 304.415 2.690 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2ccccc2o1 20684715 CTFFVLJXNJZCTK-UHFFFAOYSA-N 320.352 2.696 0 40 DFAB Cc1ccc(C[C@@H]2C(=O)N(c3nccs3)C(=O)[C@H]2C)cc1 2373064 PWKSPBUHYNPBHR-AAEUAGOBSA-N 300.383 2.820 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1N[C@@H](C(=O)O)CS1 3194452 CDZJUIYJFUMYSB-MFKMUULPSA-N 323.805 2.622 0 40 DFAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CCCC2)c1 4186456 FELSFSVPARBCOT-UHFFFAOYSA-N 316.430 2.599 0 40 DFAB COc1cc(OC)cc(-c2nnc(NC(=O)C(C)(C)C)o2)c1 4330160 XFDTZCRZRAUFPE-UHFFFAOYSA-N 305.334 2.738 0 40 DFAB C[C@@H]1CCCN(c2ncnc3c2nnn3Cc2ccccc2)C1 4966623 NLFYSHLVXCFKEV-CYBMUJFWSA-N 308.389 2.506 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843249 XEIXNGGKRGBQGD-JSGCOSHPSA-N 306.381 2.593 0 40 DFAB C[C@H](C(=O)N1CCCC1)N1CCO[C@H](c2ccccc2Cl)C1 69741411 LJMHGYHIDLXHAP-CJNGLKHVSA-N 322.836 2.724 0 40 DFAB COc1ccc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc1F 69739767 GEQFZQAZIXUZQP-IAGOWNOFSA-N 320.408 2.810 0 40 DFAB COc1cc(CNC(=O)CC(C)C)ccc1OC[C@H]1CCCO1 32930354 UMKCWHICERCYFD-OAHLLOKOSA-N 321.417 2.915 0 40 DFAB CCOc1ccc(Br)cc1CNCCCNC 8324506 AUYJEKKAIXCJSA-UHFFFAOYSA-N 301.228 2.547 0 40 DFAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O)c1ccco1 544886 AXIZUIIDCBDADW-SNVBAGLBSA-N 323.308 2.828 0 40 DFAB COC(=O)c1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)cc1 9478024 QSBXHRIPCWZFRZ-KBPBESRZSA-N 304.415 2.977 0 40 DFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 22506539 QFSNMSFZKIUEJF-HNNXBMFYSA-N 316.426 2.551 0 40 DFAB c1cncc(CN2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@H]32)c1 107257168 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KLFRISIUHOGWJO-INIZCTEOSA-N 322.405 2.952 0 40 DFAB COc1cccc(C(=O)C[C@@H]2OC(=O)C(Cl)=C2Cl)c1 26330026 DOMACGBTEOJIEV-JTQLQIEISA-N 301.125 2.883 0 40 DFAB O=C(Nc1nnc2n1CCS2)c1cccc(C(F)(F)F)c1 21110719 ZZRYDPQPQAHCHH-UHFFFAOYSA-N 314.292 2.655 0 40 DFAB COc1ccc(C(=O)NCCc2cn3cccc(C)c3n2)cc1 4248465 BEQHSDDTXUTMMH-UHFFFAOYSA-N 309.369 2.624 0 40 DFAB CC(C)(C)NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 40020111 RFCXCQUNQKHAKK-UHFFFAOYSA-N 320.824 2.911 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccn(C)c(=O)c1 40553182 SQIZREOALWYAST-CQSZACIVSA-N 314.385 2.730 0 40 DFAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCSCC1 40542204 IENNYHYWNYPAEV-UHFFFAOYSA-N 313.426 2.550 0 40 DFAB CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 284860 PKTSHMZNBNVUJB-UHFFFAOYSA-N 309.413 2.715 0 40 DFAB CCc1ccsc1C(=O)N1CCC(c2nncn2CC)CC1 69351986 COCUSTFXZVBYKZ-UHFFFAOYSA-N 318.446 2.942 0 40 DFAB C1CC[C@@H](OCC2(CO[C@@H]3CCCCO3)CCCO2)OC1 1632788 HIIBCJHWWGZXJU-HUUCEWRRSA-N 300.395 2.622 0 40 DFAB CNC(=O)Oc1ccc(-c2cn3cc(Cl)ccc3[n+]2C)cc1 387370 SHOFJKRTNZLDJZ-UHFFFAOYSA-O 316.768 2.802 0 40 DFAB CS(=O)(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32594132 VKBINKGRWGHJCV-UHFFFAOYSA-N 315.354 2.775 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O 3881324 SGYCSWPEAHDOHE-IJPPCXMXSA-N 304.430 2.852 0 40 DFAB biogenic C[C@H](NC(=O)[C@H]1COc2ccccc2O1)[C@@H]1C[C@H]2CC[C@H]1C2 102247685 WOEWYQAKNMWIAG-GGOFEBJYSA-N 301.386 2.767 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1ccc(C(=O)O)cc1)S[C@H](C)C(=O)N2 6678622 VIUJDZQTLHEOAO-PRHODGIISA-N 317.370 2.580 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)NC[C@@H](C)c1ccccc1 32838694 PFXSMMLIGNWXCH-ZJUUUORDSA-N 322.459 2.521 0 40 DFAB O=C(NCc1nnc2ccccn12)c1ccc(C(F)(F)F)cc1 7898578 USPQVGUDPPOXOI-UHFFFAOYSA-N 320.274 2.678 0 40 DFAB COc1cc([C@H](C)NC(=O)[C@@H]2CCCO2)ccc1OC(C)C 32914552 MBAYGPJDXLWABU-WFASDCNBSA-N 307.390 2.839 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1COC 69709369 KSCZKLNCUCCTNE-MSOLQXFVSA-N 316.445 2.922 0 40 DFAB O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 522605 UQLXBDLNZOHKPM-AWEZNQCLSA-N 316.744 2.868 0 40 DFAB CCCc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 9041583 FCFHVRROXSFSBC-UHFFFAOYSA-N 315.354 2.849 0 40 DFAB COc1cc(CNCc2cc(Cl)c3c(c2)OCCO3)ccn1 42208267 ZYUXRFALLXYLAO-UHFFFAOYSA-N 320.776 2.805 0 40 DFAB COC(=O)NC(C)(C)C(=O)N1CCC[C@H](c2ccccc2)CC1 104393245 FYMWCJWARFGLIB-HNNXBMFYSA-N 318.417 2.917 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCc3sccc3C2)s1 42643065 GMEDPYSYXWUBFD-UHFFFAOYSA-N 307.396 2.795 0 40 DFAB Cc1nnc(SC2c3ccccc3-c3ccccc32)n(N)c1=O 1017487 VMVQTIFRWWIIGO-UHFFFAOYSA-N 322.393 2.523 0 40 DFAB C[C@H](NC(=O)CN1CCOCC1)c1ccc(Cl)cc1Cl 23750196 ZSBLMCARWOALIY-JTQLQIEISA-N 317.216 2.503 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCN1CCCCCC1=O 105703092 XHYVGCNWSRTPGC-HRCADAONSA-N 306.450 2.722 0 40 DFAB CCN1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 58405691 BQEFHSDNWUBJJH-INIZCTEOSA-N 318.442 2.602 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccn1 55944267 WOQGAINYOPGJCR-HZPDHXFCSA-N 300.333 2.871 0 40 DFAB Cc1cc(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)no1 56356295 WUUSPMPDVABIDY-LBPRGKRZSA-N 300.362 2.728 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1sc(-c2cccs2)nc1C 43760682 GBSYNMVMHYFIHV-UHFFFAOYSA-N 324.427 2.861 0 40 DFAB O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107265690 XIIGXDVADGDPIR-UWWQBHOKSA-N 303.377 2.784 0 40 DFAB COc1ccc(OCCOc2ccc(C=O)cc2OC)cc1 1779502 WAMWJNPSQCXWHZ-UHFFFAOYSA-N 302.326 2.974 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cc(Cl)ccn2)n1 57709820 SANHQZTZGMQNCM-SNVBAGLBSA-N 306.797 2.614 0 40 DFAB CC(=O)NCCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 44686281 SMRBJJAZEURIFY-AWEZNQCLSA-N 306.406 2.634 0 40 DFAB Cc1occc1C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12575675 YTELOOMZTCMHAD-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 27650231 XMJLMYSWFBFHCV-HNNXBMFYSA-N 323.396 2.998 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 58696071 KWZOCAHCKMFLCI-MRVPVSSYSA-N 321.450 2.928 0 40 DFAB C[C@@H](OC(=O)c1cccc(O)c1)c1nc(-c2cccnc2)no1 58633590 RVZYHZUOKQTNNY-SNVBAGLBSA-N 311.297 2.755 0 40 DFAB COc1ccc(OC)c([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)c1 62001654 WYZHVMFGJGFGFV-MJGOQNOKSA-N 324.380 2.628 0 40 DFAB biogenic NC(=O)c1cccc(NC(=O)CSCc2cccs2)c1 12672385 SYPLASTYIVJFSK-UHFFFAOYSA-N 306.412 2.719 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1sccc1Br 48128794 VFAUCPFECCFGTG-QMMMGPOBSA-N 314.208 2.526 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)C[C@@H](C)O1 48152214 OPQVLSFGKFETPS-BETUJISGSA-N 300.362 2.513 0 40 DFAB CCCc1c(C(=O)Nc2ccncc2)[nH]c(C)c1C(=O)OC 48343560 ZCROBMLMLTVITM-UHFFFAOYSA-N 301.346 2.710 0 40 DFAB COc1ccc(C2=NO[C@@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)cc1 12848201 FRQMOAXZCPMQNE-IIYDPXPESA-N 316.401 2.978 0 40 DFAB Cc1cc(C(=O)n2cccc/c2=N\C(C)C)c2c(C)noc2n1 23198733 NGWGLALWTGNWJL-NBVRZTHBSA-N 310.357 2.639 0 40 DFAB CCOc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 5060910 UQUMIRRCCKARKL-UHFFFAOYSA-N 315.325 2.832 0 40 DFAB Cn1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc2ccccc21 69812304 QGICOUHREJZNSP-MRXNPFEDSA-N 311.429 2.879 0 40 DFAB CN1CCN(CCOc2ccccc2NC2CCCC2)CC1 92169360 WWESRHZQOXQARP-UHFFFAOYSA-N 303.450 2.667 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc1 5114053 LJGZHKYXTMTHKX-UHFFFAOYSA-N 301.342 2.690 0 40 DFAB CCC(CC)NC(=O)COc1cc(C(C)=O)ccc1NC(C)=O 8777943 SHVSLDYOOSMMJJ-UHFFFAOYSA-N 320.389 2.531 0 40 DFAB O=C(CN(C1CC1)C1Cc2ccccc2C1)NCc1ccco1 65523844 MQYWDCTVTJFYQA-UHFFFAOYSA-N 310.397 2.528 0 40 DFAB Cc1ccc(C(=O)NCCC2=CSC3=NCCN23)cc1C 5451737 IDPODVFTHILQLQ-UHFFFAOYSA-N 301.415 2.683 0 40 DFAB COc1cccc(C2(C(=O)N3CC[C@@H]([C@@H](C)O)C3)CCCC2)c1 96004211 JESDXVWKDYHRBN-HUUCEWRRSA-N 317.429 2.736 0 40 DFAB c1cc(-c2nc3c(c(N4CCCSCC4)n2)CCC3)ccn1 66809260 DDENTDBJKCEXJS-UHFFFAOYSA-N 312.442 2.971 0 40 DFAB CCCCNC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 9095086 DXFGBXHYIKAKPL-UHFFFAOYSA-N 312.797 2.520 0 40 DFAB COc1cc(C(=O)Nc2ccc(F)cc2)cc2c1OCCO2 7666915 BFVGDBAXNXFCFL-UHFFFAOYSA-N 303.289 2.858 0 40 DFAB O=C(NCc1ccccn1)c1ccc(Br)cc1F 7847812 IXLNNDJEBSZMNV-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB C[C@@H](c1cccs1)N(C)CC(=O)NC(=O)NC1CCCCC1 9494281 ZKZPGSHBIIWCBF-LBPRGKRZSA-N 323.462 2.899 0 40 DFAB CC(C)N(C)CCCCNC(=O)N1CCSC(C)(C)C1 83648044 ZLWWHVQJIHLHBO-UHFFFAOYSA-N 301.500 2.644 0 40 DFAB O=S(=O)(Cc1cc(F)cc2c1OCOC2)c1ccccc1 71857359 ZPFVNTLJNHSMHR-UHFFFAOYSA-N 308.330 2.666 0 40 DFAB C[C@H]1CCc2sc(C(=O)N3CCCn4ncnc43)cc2C1 71826684 JHEXCSNJGQTKNN-JTQLQIEISA-N 302.403 2.515 0 40 DFAB O=C(c1cc(Br)cs1)N1CCO[C@H]2CCC[C@H]21 71835042 GCVCTEWJKMHBLD-ZJUUUORDSA-N 316.220 2.904 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)Cc2cccs2)c1 71865615 TUQXAOIOHSXISP-CQSZACIVSA-N 303.431 2.877 0 40 DFAB CCCn1ccc2ccc(NC(=O)NCC(C)(C)C(N)=O)cc21 71920101 AZTFUVFUZDXOFT-UHFFFAOYSA-N 316.405 2.684 0 40 DFAB O=S(=O)(c1cccnc1)N(CCc1cccc(F)c1)C1CC1 71905334 LAWLDSBNLRTSCJ-UHFFFAOYSA-N 320.389 2.617 0 40 DFAB Cc1ncsc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C 71914823 UIADTJCIZXJMGB-CYBMUJFWSA-N 315.442 2.798 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)N2CCC(Nc3ccccc3)CC2)n1 84114324 CCTJEKKGBAFQSS-AWEZNQCLSA-N 312.417 2.716 0 40 DFAB COc1cccc2cc([C@@H](C)N[C@H](CO)c3cnn(C)c3)oc12 97034811 OHRUXYDBDISSBK-BXUZGUMPSA-N 315.373 2.559 0 40 DFAB CCn1nccc1CNc1ccc(C(=O)NC(C)C)c(C)c1 97050928 MVNATSMXGQYFNA-UHFFFAOYSA-N 300.406 2.962 0 40 DFAB COC(=O)C[C@H]1CSCCN1[C@@H](C)c1nc2ccccc2o1 97047149 INVQZCLFRWYPHO-RYUDHWBXSA-N 320.414 2.869 0 40 DFAB CN(C[C@H]1CCCC[C@H]1O)C(=O)NCC(C)(C)c1ccncc1 97049594 HEHSBXKVSPMUOW-GDBMZVCRSA-N 319.449 2.552 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccccn1 75602124 DKIWQNDCYWVDAO-GFCCVEGCSA-N 304.781 2.754 0 40 DFAB CC[C@@](C)(CO)NC(=O)Nc1cc(OC)ccc1OC(C)C 72313644 YVEWASAHXDGTQU-INIZCTEOSA-N 310.394 2.765 0 40 DFAB C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)(C)C 72310162 FZIOQXVBPWVXKX-SNVBAGLBSA-N 321.812 2.544 0 40 DFAB CC(C)c1nc([C@H]2CCCN2CCOC[C@@H]2CCCO2)no1 76020941 KHRLAPQILIKRLD-UONOGXRCSA-N 309.410 2.526 0 40 DFAB Cn1ccc2ccn(Cc3nccn3Cc3ccccc3)c(=O)c21 76091446 HJAYTIDTSNTCBJ-UHFFFAOYSA-N 318.380 2.633 0 40 DFAB Cc1ccc(Br)cc1C(=O)N(C)C1CCNCC1 87744026 QOSBKCSLJADPRX-UHFFFAOYSA-N 311.223 2.582 0 40 DFAB COc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1F 95428237 WYWOKPPAHWIYMU-HNNXBMFYSA-N 302.349 2.883 0 40 DFAB Cn1ncc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1C(F)F 95443071 BQFMEVQMTCFWJK-UHFFFAOYSA-N 320.255 2.803 0 40 DFAB O=C(Nc1ccccc1-c1nnnn1C1CC1)NC1CC=CC1 95414223 YSHCKXIZIQYBER-UHFFFAOYSA-N 310.361 2.515 0 40 DFAB C[C@@H](CNC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccncc1 95426216 VSOPXOKJCQCTSP-HOCLYGCPSA-N 317.433 2.976 0 40 DFAB COc1ccccc1C(=O)N[C@@H](C)C[C@H](O)c1cccs1 95434458 XQGKZXKNKWYXIS-AAEUAGOBSA-N 305.399 2.999 0 40 DFAB O=C(c1cnc(-c2ccoc2)s1)N1CCOc2ncccc21 95407245 FBOLTJYDOLDEQW-UHFFFAOYSA-N 313.338 2.837 0 40 DFAB FC(F)(F)CN1CCN(c2nc3ccccc3s2)CC1 73152498 SUUWPFFQJOJAMC-UHFFFAOYSA-N 301.337 2.981 0 40 DFAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc[nH]1 78301206 WWOJWMCZVFXLFJ-UHFFFAOYSA-N 312.369 2.985 0 40 DFAB COc1cccc(CN2CCOC[C@H]2c2noc(C(C)C)n2)c1 95999988 BPHXJXKAXNLUTK-HNNXBMFYSA-N 317.389 2.775 0 40 DFAB COC1CC(OC(=O)c2cc(Br)ccc2F)C1 95944505 YVDDUKAFBBEXSN-UHFFFAOYSA-N 303.127 2.922 0 40 DFAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1C[C@@H]1c1ccco1 75092983 MEVMJGBMABAWEM-KBPBESRZSA-N 308.337 2.541 0 40 DFAB CO[C@H](C)C(=O)Nc1cc(Cl)cc(Br)c1O 79014424 GXBVJNHQCXFWSK-RXMQYKEDSA-N 308.559 2.782 0 40 DFAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)CC(C)C 89802426 LSMVBINUILCAGJ-LBPRGKRZSA-N 307.390 2.827 0 40 DFAB Cc1ccc(-c2nc(C(N)=O)nn2-c2ccc(C)cc2C)cc1 408693962 GEFULGYXLSCHSS-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB O=C(NCc1cnn2ccccc12)c1nccc2ccsc12 1532168250 VVRNRVQSHVSPFJ-UHFFFAOYSA-N 308.366 2.874 0 40 DFAB CN(C)c1nccc(N2CCC[C@H]2Cn2cnc3ccccc32)n1 535908299 JWZDYNTYYAOCGE-AWEZNQCLSA-N 322.416 2.561 0 40 DFAB CC(C)(C)OC(=O)[C@H](N)Cc1ccc(OC(F)(F)F)cc1 71241883 NSQCPDZVTYYOAN-LLVKDONJSA-N 305.296 2.797 0 40 DFAB Cc1ccc(C)c(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 39220750 AAXNCHGINUNMBT-QGZVFWFLSA-N 308.381 2.967 0 40 DFAB CC(C)OCCCNC(=O)Cc1cccc(Br)c1 123868811 IJCPNDMGKISHLH-UHFFFAOYSA-N 314.223 2.923 0 40 DFAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccccn1 38678015 JRGRHHQWPMDJSB-UHFFFAOYSA-N 307.353 2.633 0 40 DFAB Cc1cc(C(=O)NCc2ccccc2)nc([C@H]2CCCN(C)C2)n1 72369310 LDWCSHRTBSTORG-INIZCTEOSA-N 324.428 2.524 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2ncccc12 32901395 DBBJIEQZAWNFOI-HNNXBMFYSA-N 300.358 2.552 0 40 DFAB Cc1cnc(C(C)(C)NC(=O)Cc2cc3ccccc3nc2O)[nH]1 563283204 AGBAFZUBMCQRRJ-UHFFFAOYSA-N 324.384 2.566 0 40 DFAB COC(=O)CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80345050 VLJGTCLWMZCONO-NEPJUHHUSA-N 316.184 2.776 0 40 DFAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 80386902 BNJVJRWLTQAPFH-UHFFFAOYSA-N 305.355 2.631 0 40 DFAB O=C(CS(=O)(=O)c1cccs1)NCCC1CCCCC1 96475665 KGWNBBVJSORJNO-UHFFFAOYSA-N 315.460 2.608 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@H]1CN[C@H](C(N)=O)c1ccccc1 96411401 MVZPAGJWJORQOE-HRCADAONSA-N 304.434 2.644 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CCC(Cn2ccnc2)CC1 90470246 WOUCFFIEPXYTGR-UHFFFAOYSA-N 302.353 2.966 0 40 DFAB C[C@H](C1CC1)N(C(=O)Cn1nccc1-c1ccncc1)C1CC1 96451845 UOZLJOZTNGATRF-CYBMUJFWSA-N 310.401 2.735 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNC(=O)c1c(F)cccc1Cl 96450753 DZDZFUOPBDRALX-RISCZKNCSA-N 317.813 2.856 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)Nc2c(C)noc2C)o1 96434389 VCSIQFSYODDJQJ-GFCCVEGCSA-N 307.350 2.956 0 40 DFAB O=C(NCCCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)C1CC1 95401981 QUCBURPVTCGART-OAHLLOKOSA-N 320.820 2.920 0 40 DFAB COc1ccccc1C[C@H](NC(=O)[C@@H]1CCCOC1)C(C)C 96448303 BTCPISIWGOTVQW-CVEARBPZSA-N 305.418 2.805 0 40 DFAB CCc1nc([C@@H](C)NCc2cc(=O)n3ccccc3n2)cs1 97374512 IVNMKCNYMCRJNH-LLVKDONJSA-N 314.414 2.564 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)n1 331796649 LCNWPQSNYPNBGK-DZGCQCFKSA-N 316.401 2.843 0 40 DFAB Cc1nc(CN2CCc3onc(CN4CCCC4)c3C2)cs1 96084818 JLBOYVPDLOWVFW-UHFFFAOYSA-N 318.446 2.594 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(OC)c3)n2)cc1 95533667 IUTCDWRMCBFAEE-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB Cc1ccc(C)c(CN2CC3(C2)OCC[C@@H]3CCN(C)C)c1 248127861 PJZONRJRBIYMLB-SFHVURJKSA-N 302.462 2.846 0 40 DFAB Cc1ccc(NCc2cnn(-c3ccccc3C(=O)O)c2)nc1 257326410 WXDCNIICTPQDCB-UHFFFAOYSA-N 308.341 2.886 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@H](c2ncc(C)s2)C1 257336379 YODRKEXBWJCXIL-JTQLQIEISA-N 322.459 2.885 0 40 DFAB CCCCC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403325 HZXVPHACFJPNHR-CQSZACIVSA-N 306.431 2.737 0 40 DFAB Cc1ccc(N2C[C@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)cc1 585101575 QUODVOLJLMWDAS-LJQANCHMSA-N 323.396 2.592 0 40 DFAB COCc1ccccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 44937066 ZJIHKPZXVQOBQR-ZDUSSCGKSA-N 304.390 2.866 0 40 DFAB O=C(NCCc1ccccn1)C1=Cc2cc(Cl)ccc2OC1 54457059 AGGDEXAWONMTBZ-UHFFFAOYSA-N 314.772 2.870 0 40 DFAB c1ccc(-c2ncc(CN[C@@H]3CCc4ncnn4C3)s2)cc1 69564615 RGQYSWOFIAIOCC-CYBMUJFWSA-N 311.414 2.506 0 40 DFAB Cc1ccc([C@@H](CNCc2ccncc2)N2CCOCC2)s1 72254130 AXZQUWQSXYNNHD-MRXNPFEDSA-N 317.458 2.615 0 40 DFAB O=C(CCc1ccncc1)Nc1ncccc1Br 81764117 IUGXQPXTSDIKGH-UHFFFAOYSA-N 306.163 2.810 0 40 DFAB CCOC(=O)[C@@H](C)N1N=C(/C=C/c2ccc(C)cc2)CCC1=O 1387438 YFIMQHNRIVWKBG-ATWMFIQVSA-N 314.385 2.938 0 40 DFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cnc(C)cn2)cc1 5637233 PDPXPUPSZQPFRG-LBPRGKRZSA-N 314.341 2.612 0 40 DFAB COc1ccc([C@@H]2Cc3cccc(O)c3C(=O)O2)cc1OC 13339933 WKNXOKHAEDTQCX-AWEZNQCLSA-N 300.310 2.864 0 40 DFAB biogenic,in-vitro CC1CCN(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 13647188 JPMHKTNAHOTBPT-OAHLLOKOSA-N 322.424 2.831 0 40 DFAB CCCCCC(=O)NC(=S)Nc1ccc2c(c1)OCCO2 14257780 PTIJSYUGSDHLMD-UHFFFAOYSA-N 308.403 2.851 0 40 DFAB CCOC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccco2)cc1 18540822 INEVYSMOGHYHAC-LBPRGKRZSA-N 317.341 2.713 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3cnccn3)C2)s1 19560055 DYUWVMQDZMXKOY-LBPRGKRZSA-N 302.403 2.570 0 40 DFAB Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(=O)o1 206584139 KNCGPVKIBGUQDO-UHFFFAOYSA-N 309.362 2.727 0 40 DFAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)NCc1cccs1 28871721 QSKYIJGKNHGABQ-LLVKDONJSA-N 318.398 2.636 0 40 DFAB C[C@H](CCS(C)(=O)=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 127765994 KTADLENDXGYJRU-VWYCJHECSA-N 301.374 2.520 0 40 DFAB COCCN(Cc1ccccc1)C(=O)c1cccc(OC)c1O 33000127 OGWUCHSVEAYTRQ-UHFFFAOYSA-N 315.369 2.690 0 40 DFAB CN(Cc1cccc(C(F)(F)F)c1)C1CN(c2cnccn2)C1 1776001844 OCMPLGSXBQBMBD-UHFFFAOYSA-N 322.334 2.816 0 40 DFAB CN(Cc1ccc(Br)o1)c1cc(Cl)nc(N)n1 29625313 KJRGGELZORZHLA-UHFFFAOYSA-N 317.574 2.704 0 40 DFAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1cccs1 244909761 AUIFSDHNEIQGRG-CYBMUJFWSA-N 322.455 2.861 0 40 DFAB C[C@H](NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccccc1 2494637 WMVALJFKRIKUAL-LBPRGKRZSA-N 316.788 2.834 0 40 DFAB Cc1cccc(CC(=O)Nc2c(C)nc3sccn3c2=O)c1 8931635 AVAQQCNZJHBWAR-UHFFFAOYSA-N 313.382 2.554 0 40 DFAB Cc1cc(C(=O)NCc2cc(-c3ccccc3F)on2)no1 38754381 ZAJRYBINUDXPNV-UHFFFAOYSA-N 301.277 2.707 0 40 DFAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@H]1CC=CCC1 225807287 UQWXEPSEEAOMNH-JTQLQIEISA-N 324.306 2.721 0 40 DFAB O=C(CCc1ccccc1)NCCc1ccc2c(c1)OCCO2 75000467 FZOCIOXASCGQBQ-UHFFFAOYSA-N 311.381 2.749 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1csc(-c2ccco2)n1 40052346 LOIUJYDFMYWRQH-LLVKDONJSA-N 305.403 2.617 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccnc1 40474204 UXISVJKWCGJGMY-AWEZNQCLSA-N 300.362 2.633 0 40 DFAB Cc1cc(NC(=O)CSc2nncc3ccccc23)no1 40494199 JJWQWRCMQJBOPR-UHFFFAOYSA-N 300.343 2.657 0 40 DFAB CCOc1ccc(OCC)c(NCC(=O)NCC(F)(F)F)c1 40473957 LEAFPCHQLYMKSH-UHFFFAOYSA-N 320.311 2.574 0 40 DFAB Cc1nc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)cs1 40433189 JDAWKJBGUWPYDK-SECBINFHSA-N 303.387 2.633 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H]1[C@H]1CCCN1CC 69528728 BFIZLJUORIJFKW-CABCVRRESA-N 305.422 2.634 0 40 DFAB Cc1occc1C(=O)N[C@H](c1ccccc1F)c1nccn1C 29086836 PJDRMUCBSDKALN-OAHLLOKOSA-N 313.332 2.980 0 40 DFAB CO[C@@](C)(C(=O)Nc1nc(C(C)=O)cs1)c1ccccc1 69669324 VGWIGPCXRMWBRT-OAHLLOKOSA-N 304.371 2.846 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)C(C)C)CC2)nc(C(C)C)n1 69665465 JPPFSTFPNVPOAX-UHFFFAOYSA-N 318.465 2.992 0 40 DFAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N1C[C@H](C)O[C@H](C)C1 59854105 SGISAVORUPXZAR-SDDRHHMPSA-N 312.360 2.715 0 40 DFAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)N1CCCC1 6129231 YHJSCPGADRTVOH-NSHDSACASA-N 320.393 2.509 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 7052138 NMTHPUAKNAQPHM-UHFFFAOYSA-N 319.382 2.875 0 40 DFAB CCOCc1ccccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 69779253 FSXOEAADEUYGTE-GFCCVEGCSA-N 321.421 2.648 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccs1 8925052 UPKIYRQMULINPQ-LBPRGKRZSA-N 300.383 2.531 0 40 DFAB COc1ccc2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)[nH]c2c1 69741261 VBPYUAIPSFFLOR-UHFFFAOYSA-N 323.308 2.863 0 40 DFAB COc1cccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 503481 UKAHHMWCBPXQRW-INIZCTEOSA-N 315.325 2.994 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(Cl)cc21 52954636 MOEBGISZVDOENB-OAHLLOKOSA-N 319.836 2.895 0 40 DFAB C[C@H](OC(=O)c1ccco1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104096218 LKQAPZPUMIOBHZ-PEDHHIEDSA-N 305.374 2.766 0 40 DFAB C[C@@H](Nc1nccc(C(F)(F)F)n1)c1nnc2ccccn12 29429771 ZADLGEULQCMMLP-MRVPVSSYSA-N 308.267 2.711 0 40 DFAB CCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103150577 MPBIWQJMULHYHI-RBAVJSINSA-N 322.840 2.753 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)Cc2ccccc2C)cc1 24613897 IGISTMSLWOVBAU-UHFFFAOYSA-N 319.426 2.965 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)on1 76088654 XURZOUGUFNQDBK-RYUDHWBXSA-N 309.410 2.897 0 40 DFAB COc1ccnc(NCc2cccc(N3CCCCC3=O)c2)n1 57141930 PSJGXVCXNRVKTE-UHFFFAOYSA-N 312.373 2.614 0 40 DFAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1Cc1ccco1 44892786 BTHBOQRGQNGUSA-ZDUSSCGKSA-N 302.374 2.607 0 40 DFAB Cc1nccc(C(=O)N[C@H](COCC(C)C)c2ccco2)n1 58344732 PUASLZNARQSWMN-CQSZACIVSA-N 303.362 2.522 0 40 DFAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 3313743 LDGJKXDBYFWPDM-CYBMUJFWSA-N 302.418 2.725 0 40 DFAB CCc1ccccc1NC(=O)CCNC(=O)Cc1ccccc1 12781535 DFNNRSBHGGREKD-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB CCN(CC)[C@H](CNC(=O)[C@H](C)n1ccnc1)c1ccsc1 48236923 YGXYEUXTYPRQCO-DZGCQCFKSA-N 320.462 2.705 0 40 DFAB Cc1cccc(C[S@@](=O)CC(=O)NCC2CCCCC2)c1 12891740 XRFBUOJZWXRAGU-NRFANRHFSA-N 307.459 2.940 0 40 DFAB O=C(c1csc(I)c1)N1CCCCC1 69874480 LFEKALBXRQIDQV-UHFFFAOYSA-N 321.183 2.979 0 40 DFAB CCc1ccc(CNCc2ccc(OCC(=O)NC)cc2)cc1 48781926 QLFVCGZTKRLPHB-UHFFFAOYSA-N 312.413 2.664 0 40 DFAB CCc1nc(CC(=O)N2CCCC[C@H]2Cn2cccn2)cs1 69971287 CUPUPJCAVPJPJX-AWEZNQCLSA-N 318.446 2.526 0 40 DFAB CC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 4040543 FTMZRHJESZBIQR-KRWDZBQOSA-N 320.348 2.783 0 40 DFAB biogenic O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc2c(c1)OCCO2 63849305 WCACGRQWYRCFKZ-CYBMUJFWSA-N 324.336 2.522 0 40 DFAB Cc1ccc(NC(=O)COC(=O)Cc2c(C)noc2C)cc1C 6082730 WQXHSSAFFWEJTO-UHFFFAOYSA-N 316.357 2.633 0 40 DFAB CC[C@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 65585684 NRTGEJCQXUQZFM-UONOGXRCSA-N 305.422 2.619 0 40 DFAB Cn1ncc2c1ncn1nc(-c3cc4ccccc4cc3O)nc21 5345028 YGERATJHWAVEPZ-UHFFFAOYSA-N 316.324 2.537 0 40 DFAB CCOc1coc(C(=O)NCCc2ccc(Cl)cc2)cc1=O 23136953 NOZCUWFKPHTHRQ-UHFFFAOYSA-N 321.760 2.664 0 40 DFAB CCCN(CCC)S(=O)(=O)N1CCC[C@H]1c1ccncc1 65612626 QSCWIFFHWKQSEH-HNNXBMFYSA-N 311.451 2.585 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1)c1cccs1 14204820 ZJYZTTLQYHVFBI-AWEZNQCLSA-N 302.399 2.632 0 40 DFAB CCC[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)n1ccnc1 6508905 SPUQSUIMOZPMAP-AWEZNQCLSA-N 315.373 2.660 0 40 DFAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC3CC3)cc2C1 5773381 RYXUDNMFXYZWJM-VHSXEESVSA-N 307.415 2.697 0 40 DFAB COc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 6811447 GXKDOTRJNKDPMD-UHFFFAOYSA-N 309.321 2.732 0 40 DFAB biogenic Cc1cccc(Nc2nnc(SCCC(N)=O)s2)c1C 7032671 DGQSCWJCTXLMGB-UHFFFAOYSA-N 308.432 2.866 0 40 DFAB N=c1sccn1CC(=O)NCc1ccc(Cl)cc1Cl 7191693 LWDGAEIEXHVRPW-UHFFFAOYSA-N 316.213 2.652 0 40 DFAB Cn1cnnc1CN[C@H](c1ccc(Br)cc1)C1CC1 91284419 SMYFJSQWESYSSU-AWEZNQCLSA-N 321.222 2.819 0 40 DFAB COC(=O)c1cc(CNC(=O)c2sccc2C)ccc1OC 9455952 HFDNLGHGVIQNJX-UHFFFAOYSA-N 319.382 2.782 0 40 DFAB CC(=O)c1cccc(OCC(=O)Nc2nnc(C(C)C)s2)c1 16965790 WFUXREUBGZOQFG-UHFFFAOYSA-N 319.386 2.882 0 40 DFAB O=C(NCCCO)Nc1ccc(Br)cc1Cl 69352188 SCVMWTRLLMTGPC-UHFFFAOYSA-N 307.575 2.606 0 40 DFAB COc1cc(CN(C)CCSC)cc(Br)c1O 93509457 WDZAONDJPFUICL-UHFFFAOYSA-N 320.252 2.958 0 40 DFAB COc1ccc(CCNc2nc(Cl)nc3[nH]cnc23)cc1 9419282 QSEDQTJNHPSJGZ-UHFFFAOYSA-N 303.753 2.670 0 40 DFAB Cc1nsc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 96455865 IAJRXAJWTBVATL-CHWSQXEVSA-N 324.494 2.562 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)NCCc2nc(C)no2)c1 69567736 WWQSUNOTBNOLJQ-GFCCVEGCSA-N 302.378 2.598 0 40 DFAB c1ccc(C2(c3nnc(-c4cnccn4)o3)CCOCC2)cc1 71889565 QCGCGBJMZIPSSU-UHFFFAOYSA-N 308.341 2.623 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H]1Cn1cccn1 71866263 PQCASMGKFVJOEW-ZDUSSCGKSA-N 302.378 2.608 0 40 DFAB COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 83884488 BZMBGQLXJFWBCU-UKRRQHHQSA-N 300.358 2.630 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1cc(Cl)cnc1N 83827774 SUYPNTGFHIALDE-UHFFFAOYSA-N 311.794 2.680 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)NCc2ncccc2F)ccn1 97045183 IHPJYIHSWCMZQI-LLVKDONJSA-N 303.337 2.723 0 40 DFAB Cc1ccc(C[C@@H](CNC(=O)Cc2cccs2)C(=O)O)cc1 97018844 JEBQSLFPVSHHHA-AWEZNQCLSA-N 317.410 2.659 0 40 DFAB O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(Cl)s1 72291561 FGNQDVZKSYMOCB-UHFFFAOYSA-N 305.750 2.630 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CNc2cc(C)nn2C1 72273337 GQNNCHGAGRUBMO-HUUCEWRRSA-N 314.433 2.901 0 40 DFAB O=C1COc2cc(NCc3nc4c(s3)CCC4)ccc2N1 97113751 IHIMIQPDZNYQJI-UHFFFAOYSA-N 301.371 2.575 0 40 DFAB Cn1cc(CNCc2ccc3c(c2)OCO3)c(-c2cccnc2)n1 97159740 MOBBZJGEVCKSSJ-UHFFFAOYSA-N 322.368 2.501 0 40 DFAB CCn1cc(CN2CCN([C@H](C)c3ccsc3)CC2)cn1 97143351 QTYMJWOCBQQWHT-CQSZACIVSA-N 304.463 2.843 0 40 DFAB Cn1nccc1CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1 97106942 DQHRUSMZLUELJG-UHFFFAOYSA-N 322.453 2.547 0 40 DFAB NC(=O)c1csc(C(=O)Oc2ccc(N3CCCC3)cc2)c1 79023985 WHWXFBJZCODEDI-UHFFFAOYSA-N 316.382 2.666 0 40 DFAB CC(C)[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1ccccn1 84456409 HTXRBPPFKSVYJW-DOTOQJQBSA-N 317.389 2.579 0 40 DFAB CN(c1cccnc1)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 84505046 ZXANSNCVAKYHQO-UHFFFAOYSA-N 318.398 2.620 0 40 DFAB Cc1cscc1C(=O)NCCNc1ncnc2ccccc12 95407897 RFYXWUIZVTULJH-UHFFFAOYSA-N 312.398 2.842 0 40 DFAB CCS[C@H]1CCC[C@H](NC(=O)NC2CCC(O)CC2)C1 84811923 RKYLVHRDOYLQHN-YIOUJQMASA-N 300.468 2.653 0 40 DFAB CC[C@]12CCCN1C(=O)N(C[C@@H](C)Oc1ccc(F)cc1)C2=O 95992591 RECPBVTXJCSPAJ-SJKOYZFVSA-N 320.364 2.800 0 40 DFAB CCNS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)c(C)c1 518192392 HIWDOMCQLAYICJ-UHFFFAOYSA-N 319.382 2.658 0 40 DFAB COC(=O)c1cc(I)ccc1NC(C)C 39951632 AAOSEWFKOUNZPM-UHFFFAOYSA-N 319.142 2.898 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NCC(=O)O 79410733 VSGWVWGHEYZAEB-OLZOCXBDSA-N 314.426 2.617 0 40 DFAB Cc1nccnc1NC[C@H]1CCCCN1C(=O)OC(C)(C)C 72203766 WPKYYRWCWZJSIK-CYBMUJFWSA-N 306.410 2.987 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NCCc1ncc2ccccn12 31773105 ZBLGXRZXGJPVDY-UHFFFAOYSA-N 313.788 2.889 0 40 DFAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1COCCO1 76921552 FUODBJKKASXHGX-YOEHRIQHSA-N 303.402 2.792 0 40 DFAB CN1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)c2)CC1 41127527 BCTAWSMYKOBBFQ-UHFFFAOYSA-N 321.380 2.882 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 40160914 FKTDVUANOPRNPY-ATWMFIQVSA-N 305.349 2.641 0 40 DFAB CC(=O)Nc1nc(C)c(Br)cc1Br 199570568 XBBITJUACMBSKS-UHFFFAOYSA-N 307.973 2.873 0 40 DFAB O=C(/C=C/c1ccco1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225684199 UNXDAGJTOLHXAX-LKGOPFMKSA-N 322.408 2.952 0 40 DFAB C[C@H](NC(=O)NC[C@@H](C)O)c1c(Cl)ccc(F)c1Cl 192439840 MMELVFJTMHSGPQ-RQJHMYQMSA-N 309.168 2.874 0 40 DFAB COC(=O)[C@H](Sc1nnc(N(C)C)s1)c1ccsc1 225571503 WXHAKTFKMTWVRP-MRVPVSSYSA-N 315.445 2.672 0 40 DFAB CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)[C@@H]1CCCO1 195549548 LIACGMAMMXXMHF-KKUMJFAQSA-N 320.437 2.831 0 40 DFAB C[C@@H](CNC(=O)N1CCOCC[C@H]1C)c1ccc(F)c(F)c1 95459997 QKHPNQVIIGKZKN-NWDGAFQWSA-N 312.360 2.889 0 40 DFAB C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCCO1 96461761 VVHSMFWCBKUCER-XHDPSFHLSA-N 318.352 2.700 0 40 DFAB c1csc(CN2CCO[C@@H]3[C@H](Cn4ccnc4)CC[C@H]32)c1 247831545 LOOWRQSBBHDMPO-NUEKZKHPSA-N 303.431 2.624 0 40 DFAB c1cncc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1 253601471 BAPCCJNRVAAEOP-JKSUJKDBSA-N 314.458 2.635 0 40 DFAB Cc1cncc([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257304052 SJWVOXVKWZJRDX-AWEZNQCLSA-N 321.384 2.681 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257244284 IKRILFGJKIXYRR-INIZCTEOSA-N 321.384 2.718 0 40 DFAB O=C(Cc1cccc(F)c1)N1CC(Cc2nccc3cc[nH]c23)C1 257212282 CCQPSJJDWFKYOM-UHFFFAOYSA-N 323.371 2.946 0 40 DFAB N[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252516909 XSPYTTKCFOPLHJ-RBSFLKMASA-N 307.802 2.607 0 40 DFAB CC[C@H](C)N1C[C@]2(CCCN(Cc3cnc(C)s3)C2)C1=O 585099512 PKQXHZJIFBAULM-BLLLJJGKSA-N 307.463 2.674 0 40 DFAB COC(=O)CCCN(C)C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 58341481 MRWHUMDHUTTWSS-GKUAPZSJSA-N 305.374 2.828 0 40 DFAB CN(C(=O)CNC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 67143936 CPELCBMSZJMSQV-CQSZACIVSA-N 304.390 2.657 0 40 DFAB CCN(CC)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12607187 YIFKFISBAIUXQE-UHFFFAOYSA-N 324.384 2.955 0 40 DFAB COc1cc2sc(NC(=O)Cn3ccnc3)nc2cc1Cl 19550667 CAZQWUJVUOOFFJ-UHFFFAOYSA-N 322.777 2.794 0 40 DFAB O=c1c2ccsc2ncn1Cc1noc(-c2cccs2)n1 12937501 DAFSMIZTIFRGEX-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccoc2)c1 40541782 QMJZFUNMJBDMSG-LBPRGKRZSA-N 300.358 2.738 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)c1 4583809 HYNCDSVALWVZDM-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCCC 11694385 CBKWEBGPIZFWMV-UHFFFAOYSA-N 305.353 2.940 0 40 DFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1C 101277727 FSFAWQJDKUSEKQ-HZPDHXFCSA-N 320.352 2.801 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccn1 40490099 XLLCGLPVDQRSMK-ZWNOBZJWSA-N 313.332 2.524 0 40 DFAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(F)cc1 130859 JYFYFGJXWRQZNU-UHFFFAOYSA-N 301.317 2.940 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2cccc(O)c2)[C@H]1c1ccccc1 20717591 BOMVTGBWSSQEOX-FUHWJXTLSA-N 324.380 2.940 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1oc2ccc(OC)cc2c1C 4524752 RXCHCJHNOUYDEA-SNVBAGLBSA-N 319.357 2.821 0 40 DFAB CCn1c(NN)nc2sc3c(c2c1=O)CCc1ccccc1-3 51330909 DHVZHUCZNFCATL-UHFFFAOYSA-N 312.398 2.529 0 40 DFAB CC[C@@H](CNC(=O)c1ccc(C)nc1)N1CCc2ccccc2C1 29912299 MFGOYKQJTVFYCY-IBGZPJMESA-N 323.440 2.957 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cnc3ccccc3n2)c1 428046 KJAPNXZJCFEKGV-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB C[C@H](CNC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 32900250 JEZQVTHVGLDVSV-OAHLLOKOSA-N 320.396 2.860 0 40 DFAB Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cn2)nc1 2749832 SYCSSFABQZXVQL-UHFFFAOYSA-N 312.373 2.841 0 40 DFAB Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)no1 21835669 FCQQQMJUVOHAKD-GFCCVEGCSA-N 304.350 2.535 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CSc3ccccc32)no1 76043666 WHNZHGYNBGLCLG-STQMWFEESA-N 315.398 2.931 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1ccc(F)cc1 100214637 WRTOLYREEMTYNQ-HUUCEWRRSA-N 313.376 2.762 0 40 DFAB C[C@H]1CCc2sc(C(=O)N(C)Cc3cnn(C)c3)cc2C1 24476531 UHUUFZODPVTDSU-NSHDSACASA-N 303.431 2.879 0 40 DFAB OC[C@@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1 55396767 WZXFBAQQSBWWBN-CQSZACIVSA-N 320.396 2.901 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 24985005 OWKOLNWEXGLEQZ-KRWDZBQOSA-N 308.381 2.859 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 78394523 VIROYHUBQUKFOC-STQMWFEESA-N 320.481 2.523 0 40 DFAB COc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 20107575 YVMMALBXNKSWFW-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB C[C@@H](Cn1cccn1)NCc1cc(Br)cs1 35272312 SXIYXOCAFKCIJD-VIFPVBQESA-N 300.225 2.885 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC(F)F)cc1 103478820 JIEVJBJYYTTWPH-RBJBARPLSA-N 305.280 2.600 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2cccc[n+]2[O-])c1 3222901 ALHHLHQTAJRUSA-LBPRGKRZSA-N 316.382 2.642 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1cccs1 57355894 HZOGPGAJOZOWQS-DOMZBBRYSA-N 306.431 2.716 0 40 DFAB O=C(NCCCCn1ccnc1)NCC1(c2ccccc2)CC1 57377040 UTDKYCKNIKXHGW-UHFFFAOYSA-N 312.417 2.694 0 40 DFAB COC(=O)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1 62714364 BHLSCHDOUASDPX-SAPNQHFASA-N 309.365 2.907 0 40 DFAB Cc1ccc(C)c([C@H]2CN(CCN3CCOC3=O)[C@@H](C)CO2)c1 110641185 UQVPUULDDZPVOV-DOTOQJQBSA-N 318.417 2.517 0 40 DFAB O=C(NC[C@@H](O)C1CC1)Nc1cc(-c2ccccc2)ns1 78988563 JMXUEGNNBMVJST-CYBMUJFWSA-N 303.387 2.703 0 40 DFAB Cc1ccc(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 27838483 LCTAQHQHDPPYEG-MRXNPFEDSA-N 322.408 2.820 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)NCc1ccc(Cl)cc1 3388359 HPURPDXIWALVHD-BQYQJAHWSA-N 319.744 2.806 0 40 DFAB CS(=O)(=O)Cc1ccccc1NC(=O)NC1CCCCC1 58665155 KHNUUOQRUIYXMY-UHFFFAOYSA-N 310.419 2.685 0 40 DFAB CN(Cc1nc2ccccc2s1)c1cc(=O)n2ccccc2n1 10995433 ZRGIERWGFNIHKA-UHFFFAOYSA-N 322.393 2.941 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 69560814 ZYNVLMLSEIDBBT-FLVLSHQESA-N 314.429 2.855 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1nccs1 69585906 SMFPXTDVAOWMGT-KGLIPLIRSA-N 307.463 2.551 0 40 DFAB C[C@@H](NC(=O)COc1c(C(=O)O)ccc2ccccc12)C1CC1 13319577 LRHNADJXSJHDPP-LLVKDONJSA-N 313.353 2.832 0 40 DFAB C[C@@H](CC(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O)C1CC1 63769040 HCYJKQDUMYBCNF-NWDGAFQWSA-N 324.446 2.672 0 40 DFAB Cn1nccc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 92064429 QNDVZAILGVANTL-OAHLLOKOSA-N 301.365 2.797 0 40 DFAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc[nH]n2)CC1 49651631 VIOGVXFKZBMFBL-LBPRGKRZSA-N 318.808 2.582 0 40 DFAB COC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 13688444 SRUFYYDHPARFSS-UHFFFAOYSA-N 304.342 2.907 0 40 DFAB Cn1cnc(-c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)n1 96013639 SDJAQJZGBAAETD-UHFFFAOYSA-N 313.748 2.783 0 40 DFAB O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(Cl)cc1F 65500186 FYOGNYYDVYLPFX-JTQLQIEISA-N 323.755 2.964 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 110603413 JJPBNVWYZWEOGU-IAGOWNOFSA-N 320.433 2.648 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1 8745799 VUEDRMLMMRWLDF-UHFFFAOYSA-N 311.384 2.629 0 40 DFAB CN(c1ccccc1)C1CCN(CC(=O)NC2CCCC2)CC1 65956967 LSXQEVJUQMSHSN-UHFFFAOYSA-N 315.461 2.646 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731840 RXEGXXKZXIVDAE-NWDGAFQWSA-N 308.809 2.998 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1 6886864 XRZPJTBZCPGYQQ-UHFFFAOYSA-N 319.401 2.756 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 7070145 LGHOLGFLYHRIIY-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB COC(=O)[C@@H](C)CN(C)C(=O)c1cc2ccc(C)cc2nc1C 68083075 CUIWOGRFWNMTOY-LBPRGKRZSA-N 314.385 2.733 0 40 DFAB Cc1ccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 9337673 FMVLETCJNSMBGE-IBGZPJMESA-N 306.365 2.889 0 40 DFAB C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2cncn2)cc1 9478376 WYMQROGNRKUQGJ-ZDUSSCGKSA-N 310.357 2.670 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H]1Cn1cccn1 71866225 FWEBMFXLQVJMCT-GOSISDBHSA-N 309.413 2.606 0 40 DFAB CCc1n[nH]c(S[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 71893950 GIKLHXUGZMPAKV-LLVKDONJSA-N 322.821 2.918 0 40 DFAB Cc1ncsc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O 71900567 HPTFKKXAXLQWFB-CQSZACIVSA-N 319.405 2.828 0 40 DFAB CSc1c(F)cc(NC(=O)NC2CCN(C)CC2)cc1F 97107732 WMYQIGQKTGHTRF-UHFFFAOYSA-N 315.389 2.902 0 40 DFAB O[C@@H](COCc1ccccc1)Cn1ccnc1-c1cccnc1 95438687 ACHYITZBVXESLQ-QGZVFWFLSA-N 309.369 2.523 0 40 DFAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1cscn1 95425805 TYIABQIWEDMZFP-NHYWBVRUSA-N 301.415 2.918 0 40 DFAB Cc1nc(CN(C)C(=O)[C@@H](O)c2ccccc2)nc2ccccc12 73261517 OPRXTRLMGJHGOH-SFHVURJKSA-N 321.380 2.630 0 40 DFAB CC1=C(C(=O)Nc2ccc(C(N)=O)c(C)c2)Cc2ccccc2O1 73384032 LWYHOOQUFBHALR-UHFFFAOYSA-N 322.364 2.942 0 40 DFAB CN(C)CCCC1CCN(C(=O)NC[C@@H]2CCCS2)CC1 95980823 JSYYCGJOMVXLNH-HNNXBMFYSA-N 313.511 2.645 0 40 DFAB O=C(Nc1ccc2[nH]nnc2c1)c1coc(Br)c1 89807627 SDSOOHVPZMARKG-UHFFFAOYSA-N 307.107 2.566 0 40 DFAB O=C(NCc1ncc(-c2cccs2)[nH]1)[C@H]1CC12CCOCC2 546014882 BEJTZEIGHQATIO-LLVKDONJSA-N 317.414 2.571 0 40 DFAB CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 39289536 BZEXSQMAIHUROO-UHFFFAOYSA-N 319.007 2.664 0 40 DFAB CC[C@@H](OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1)c1ccccc1 34930252 KRRYYKWWKBFUNM-CIRFHOKZSA-N 307.434 2.624 0 40 DFAB Cc1cc(-c2cnc(N3CC[C@H](O)[C@H](C)C3)nc2C2CC2)on1 72340361 TTZPKWJYKFRJBJ-YGRLFVJLSA-N 314.389 2.525 0 40 DFAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cncc4ccccc34)C2)n1 72368520 TXRGJDCJXSLMMQ-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cn(C)nc2C)cs1 78925591 OITSINRUWYPIDL-ONGXEEELSA-N 321.450 2.869 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C 30319866 RKCMUVFFYXEDHQ-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB COc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1C 70970536 WFVAUZRGBQNDBU-UHFFFAOYSA-N 309.387 2.692 0 40 DFAB O=C(NC[C@]1(O)C=CCCC1)c1cc(Br)cs1 606440837 VFQKFJUEMGEAJW-LBPRGKRZSA-N 316.220 2.712 0 40 DFAB CCOC(=O)c1cc(-c2ccc(F)cc2)nn(CC(C)C)c1=O 225965445 GSBDPJVAUQVSBI-UHFFFAOYSA-N 318.348 2.882 0 40 DFAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 222841935 UZCWGJKSUWRIQL-KRWDZBQOSA-N 311.381 2.964 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CCCCO2)ccn1 195551766 KHYLCBXFTZXDEN-ZFWWWQNUSA-N 306.406 2.900 0 40 DFAB CN(C)C[C@H]1CCN(C(=O)NCCCc2ccccc2Cl)C1 195570415 TXTIKXVXDRFKSJ-CQSZACIVSA-N 323.868 2.866 0 40 DFAB Cn1cc(C(C)(C)NC(=O)[C@H]2SCCc3sccc32)cn1 80476264 IHPCNQZGVOADIY-ZDUSSCGKSA-N 321.471 2.864 0 40 DFAB CCC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1 583621332 RKYGYGBQCHZNPM-GDBMZVCRSA-N 319.376 2.935 0 40 DFAB C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccncc1 97370676 JKPMJGINEPFLLL-OAHLLOKOSA-N 309.413 2.928 0 40 DFAB CC(C)n1cc(Br)cc1C(=O)O[C@H]1CCOC1 96442019 PPFSIYUQLRKCKB-JTQLQIEISA-N 302.168 2.777 0 40 DFAB COc1ccc(Br)cc1SCCOCCO 96422254 HJEWSIZMAKDDFD-UHFFFAOYSA-N 307.209 2.559 0 40 DFAB CCc1ccc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2c1 22625890 IGGPMVDPVDEGHY-CHWSQXEVSA-N 301.386 2.965 0 40 DFAB biogenic CCCNC(=O)c1cc(Br)c(OC)c(OC)c1 339891735 JQRJYESUYXLWAU-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB CCOCc1ccccc1NS(=O)(=O)c1cnc(C(C)C)[nH]1 96447399 NSCDZITWJYAQHL-UHFFFAOYSA-N 323.418 2.870 0 40 DFAB CCCC(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257255485 KHRFHLIJUOSMDU-OAHLLOKOSA-N 300.402 2.986 0 40 DFAB CN(CCc1ccccn1)C(=O)c1cccnc1-c1cncs1 257318435 VNWUFVKNLGMIEM-UHFFFAOYSA-N 324.409 2.915 0 40 DFAB Cc1ncsc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257326863 WYXZWJIEQLSINL-IRXDYDNUSA-N 318.442 2.856 0 40 DFAB O=C(NCCc1noc2ccccc12)c1cccc2c1CCOC2 824684323 OLBGJXUENFYOJV-UHFFFAOYSA-N 322.364 2.873 0 40 DFAB Cn1nccc1-c1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 585141800 YPGKHXLOFRGDLW-OAHLLOKOSA-N 323.400 2.850 0 40 DFAB Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@@H]3C)o2)cc1 46255516 LPJSFDPAYSTODO-AWEZNQCLSA-N 314.385 2.830 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)C(C)(C)Oc1cccc(Cl)c1 71903014 GSGWKPLRLZDKRY-GFCCVEGCSA-N 321.808 2.899 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cn1ccnc1 97079937 NMXFSSCSXRFKOS-NSHDSACASA-N 311.307 2.649 0 40 DFAB Cc1cccc(CNC(=O)c2cc(Cc3ccccc3)[nH]n2)n1 559496464 ZBIOCSYYJNUHOG-UHFFFAOYSA-N 306.369 2.634 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N/C=C/c1ccccc1 1534690749 DHHWAUYTNPLDCG-ODRPYRSTSA-N 300.402 2.811 0 40 DFAB Cc1nc2ccccc2[nH]c(=O)/c1=N/Nc1ccc(Cl)cc1 6200296 KEKFQVJKPLCELY-UHFFFAOYSA-N 312.760 2.813 0 40 DFAB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)CCC2=O)c1 5558744 QIBQESAZLWEYBY-UHFFFAOYSA-N 312.300 2.731 0 40 DFAB C[C@@H](c1cccc(F)c1)n1cc(C(=O)NC2CCCC2)nn1 12113267 SABFZDJTHRGDTN-NSHDSACASA-N 302.353 2.699 0 40 DFAB Cc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1N 18340012 SZEOOAUYDJETFB-GFCCVEGCSA-N 304.390 2.571 0 40 DFAB Cc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 19117964 HZDCHEORCNAKPI-CQSZACIVSA-N 301.365 2.597 0 40 DFAB CC[C@@H](C)NC(=O)Cn1c([C@H]2CCCO2)cc2cccnc21 19499981 JHLQLINDGIGJDC-IUODEOHRSA-N 301.390 2.803 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 19694699 CGQQFYXUQDAYPS-MRXNPFEDSA-N 324.428 2.936 0 40 DFAB Fc1cc(F)c2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 16158436 RNYZTUXWUQQXLI-UHFFFAOYSA-N 317.261 2.941 0 40 DFAB CCc1ncnc(N2CC[C@H](Oc3ccncc3C)C2)c1F 1889092432 AJXIYAKXORZIAI-LBPRGKRZSA-N 302.353 2.539 0 40 DFAB C[C@H]1COc2ccccc2CCCCC2(CCNCC2)C(=O)N1 1848441801 KWVLCTFJVZKWJV-HNNXBMFYSA-N 316.445 2.666 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@@H]2COC3(CCCCC3)O2)s1 38568537 RNTKXQAZGNXLKY-GFCCVEGCSA-N 310.419 2.566 0 40 DFAB O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1cccs1 575414597 ZBXPZNPUKYGFLO-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB COC[C@@](C)(CNC(=O)NCc1cccc2ccccc12)OC 575613594 ULXCXRDIUWAIKQ-GOSISDBHSA-N 316.401 2.691 0 40 DFAB COCC[C@](C)(O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 72285524 GMSOVCFZUCHASZ-ZDUSSCGKSA-N 320.311 2.614 0 40 DFAB CCc1nc(C)c(C(=O)NC[C@H](C)Cn2nc(C)cc2C)s1 50317101 IOXPCYGPOXTACE-JTQLQIEISA-N 320.462 2.893 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1cc(F)ccc1F 40520528 CDCCSPZNYKCMJE-SSDOTTSWSA-N 316.329 2.609 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)C1CCCCC1 40540561 SPWDRXCEYXWJKM-UHFFFAOYSA-N 314.393 2.767 0 40 DFAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C 196307 MJBCIMRJKXNWNC-UHFFFAOYSA-N 322.364 2.928 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N(C)Cc1ccc2c(c1)OCCO2 51589220 SRSAODHRQSBQEL-LLVKDONJSA-N 315.373 2.911 0 40 DFAB COCCCn1c(S[C@H]2CCCc3ccccc32)n[nH]c1=O 70013537 GLFHSZCTZWPOKT-AWEZNQCLSA-N 319.430 2.778 0 40 DFAB Cc1cc2cc(NC(=O)CSc3cccc[n+]3[O-])ccc2[nH]1 46367358 KTFLDXFJQNPTJR-UHFFFAOYSA-N 313.382 2.841 0 40 DFAB CC(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379479 FXYQBJFHCTXOLV-ZDUSSCGKSA-N 309.797 2.861 0 40 DFAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1ccccc1 3507063 YGGZNCISJNAALW-SFQUDFHCSA-N 323.348 2.590 0 40 DFAB Cc1cccc(-n2c(C)nnc2SCC(=O)NCC(C)C)c1 4500546 PITAHURGCFNHNN-UHFFFAOYSA-N 318.446 2.748 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 32843894 BMEFISCIDXKAFV-GFCCVEGCSA-N 305.378 2.667 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)Nc1ccccc1OC(F)F 32902030 YAXZZKPUZHYBEZ-UHFFFAOYSA-N 314.332 2.779 0 40 DFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)s1 102701783 SUMJCWWBVQMYPE-DTORHVGOSA-N 309.774 2.535 0 40 DFAB O=C(Nc1ccccc1Br)c1cc2ncccn2n1 2787950 ZMPWSVDKACGQPL-UHFFFAOYSA-N 317.146 2.744 0 40 DFAB COc1c(Cl)cc(C(=O)NC2=NCCS2)cc1Cl 513837 OOLVQKSGJKOVEL-UHFFFAOYSA-N 305.186 2.835 0 40 DFAB CCOC(=O)C1=C(C)NC(C(=O)O)=C[C@H]1c1ccc(Cl)cc1 104347286 UIYNVRPTVPFMNO-LBPRGKRZSA-N 321.760 2.832 0 40 DFAB CCCCCNC(=O)NC[C@H](C)N1CCc2sccc2C1 46907935 XSUFOINSFJZHOR-ZDUSSCGKSA-N 309.479 2.984 0 40 DFAB Cn1nc(-c2nc3c4ccccc4ncn3n2)cc1C(F)(F)F 2806596 HWDLXNPFKMEDAX-UHFFFAOYSA-N 318.262 2.697 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)NCCCOC1CCCC1 57925646 WFARVGYCMVUCIJ-UHFFFAOYSA-N 315.410 2.762 0 40 DFAB O=C1O[C@H](C(=O)Nc2cccc3cccnc23)Cc2ccccc21 9550063 UBZCYPJZLHJIMC-INIZCTEOSA-N 318.332 2.955 0 40 DFAB CC[C@H](C)NC(=O)COc1ccc(N(C)C(=O)NC(C)C)cc1 54246707 BOFOSWDOFYXGQU-ZDUSSCGKSA-N 321.421 2.534 0 40 DFAB O=C(NCCc1cn2ccccc2n1)[C@@H]1C[C@H]1c1ccc(F)cc1 23320237 ZLFRVAYAWBORAS-DLBZAZTESA-N 323.371 2.936 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721200 ICCAWIOUEGFUMQ-QAETUUGQSA-N 305.418 2.528 0 40 DFAB COC(=O)c1ccc(CCNC(=O)Cc2ccccc2C)cc1 29578087 VMYHXRTUFHYVOA-UHFFFAOYSA-N 311.381 2.683 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nc(C)cc(=O)[nH]2)c(C)c1 17857881 OKRNOOIAWGXCDB-UHFFFAOYSA-N 317.414 2.734 0 40 DFAB C[C@H](Oc1ccc(Cl)cc1)c1ccnc(Cn2cncn2)n1 1391256 SWVJSZUGUYMERR-NSHDSACASA-N 315.764 2.910 0 40 DFAB CC(=O)Nc1cccc(NCc2nc3ccsc3c(=O)[nH]2)c1 12552830 TYFMMHBFFDZUKK-UHFFFAOYSA-N 314.370 2.555 0 40 DFAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)CNc2cccc(F)c2)C1 106913924 GFRLDBDYIDUFPJ-ZNMIVQPWSA-N 321.440 2.720 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccco1 69454531 GBFPLURLIYTAKR-VXGBXAGGSA-N 322.405 2.803 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)n1 69485688 DGTOPJZXWJEMDW-UHFFFAOYSA-N 320.352 2.701 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)c2cccs2)cc1 1943667 VXWXTDJEEVXQJQ-UHFFFAOYSA-N 305.355 2.942 0 40 DFAB Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)n1 58317103 LMHAEBBYKRQFMW-NEPJUHHUSA-N 320.190 2.925 0 40 DFAB CCN(CC)[C@@H](CNC(=O)COC1CCCC1)c1ccco1 58341699 BJLFOCIXZJULMQ-HNNXBMFYSA-N 308.422 2.738 0 40 DFAB CCOc1ccc(NCCc2n[nH]c(CC)n2)cc1OCC 62719384 OLLABOISCGEZMB-UHFFFAOYSA-N 304.394 2.819 0 40 DFAB COC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 12874638 KGIFPRTZRSWYNO-LLVKDONJSA-N 321.442 2.898 0 40 DFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCCOc1ccccc1 69600023 DSWAPOKJBDMOKK-SFHVURJKSA-N 324.424 2.671 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CNc1ccccc1Cl 4157264 LDXQKIOXGBPLDQ-DJBIQUGXSA-N 302.761 2.517 0 40 DFAB Cn1c(SCC(=O)c2cccs2)nnc1-c1ccncc1 6139476 XBULDOFHKMYWCG-UHFFFAOYSA-N 316.411 2.914 0 40 DFAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)c1 6127782 OOEVNWORSCECLK-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB Cc1noc(Cl)c1CC(=O)N1CCC[C@@H](n2ccnc2C)C1 69976591 YQZRDGDKQOOTFA-GFCCVEGCSA-N 322.796 2.548 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1O 14022273 ZFZRVNFLRJQTHA-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB COC(=O)c1cccn2cc(-c3cc4ccccc4oc3=O)nc12 67172689 GRWIGBMVXACTSR-UHFFFAOYSA-N 320.304 2.894 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2NC1=O 8937836 KLPOLHRUIPRGFW-HTRCEHHLSA-N 315.156 2.538 0 40 DFAB COc1ccccc1-c1noc(CSc2ncccn2)n1 7122628 ZBTQUIMOBAUTKM-UHFFFAOYSA-N 300.343 2.828 0 40 DFAB C[C@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 67675747 ZQOOVXAXEWLOOH-AWEZNQCLSA-N 324.428 2.776 0 40 DFAB CCCOc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 15670767 ABATYSOMNVIRCI-UHFFFAOYSA-N 323.356 2.703 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C=C(C)C 7651244 QAQRWZBUZBVLSZ-UHFFFAOYSA-N 307.346 2.500 0 40 DFAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc2ccccc12 7708232 HZQMNSSRFNRGON-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB O=C(O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 19832743 HLPZUWYDUBCWFN-UHFFFAOYSA-N 324.424 2.868 0 40 DFAB O=C(Cn1ccc2ccccc21)NCc1ccc2c(c1)OCO2 9805880 GLKMFTXKRNMZAO-UHFFFAOYSA-N 308.337 2.686 0 40 DFAB O=c1c(C(F)(F)F)cc(C2CC2)nn1CC1(O)CCCCC1 71825122 DGMUREYMAGLNIJ-UHFFFAOYSA-N 316.323 2.835 0 40 DFAB C[C@@H](NC(=O)NCCOc1ccc(Cl)cn1)c1cccnc1 97015319 RLYPOKHIWGATCY-LLVKDONJSA-N 320.780 2.569 0 40 DFAB O=C(C[C@H](O)c1ccc(Cl)cc1)NCC[C@@H]1CCCCO1 97080048 DAFKBSUDEWLSPE-GJZGRUSLSA-N 311.809 2.839 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@](C)(O)c2ccccc2)s1 72284986 WMQKUTJFNNTORF-MRXNPFEDSA-N 304.415 2.763 0 40 DFAB CC(C)CCC(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 72292391 YLMVRCXINSGGEL-UHFFFAOYSA-N 317.433 2.763 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 72235152 JPLUDMUSKZCFSP-ZDUSSCGKSA-N 304.419 2.742 0 40 DFAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cn1 72232482 DJURPJHDZZZHKG-CYBMUJFWSA-N 302.403 2.917 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 72235284 FFEVQHZOMXCBSK-AWEZNQCLSA-N 302.378 2.582 0 40 DFAB Cc1ncc(/C=C/C(=O)N(CC(F)(F)F)[C@@H]2CCOC2)s1 84290561 OAHXKDBZNQLLNK-VMZHVLLKSA-N 320.336 2.645 0 40 DFAB O=C(O)c1nc2c(C(F)(F)F)cccn2c1Br 95215853 OMKDNBRGOPYQDG-UHFFFAOYSA-N 309.041 2.814 0 40 DFAB COc1ccccc1NC(=O)CN1CCS[C@H](C(C)C)C1 72836781 WCFQMOFIBYSFGM-HNNXBMFYSA-N 308.447 2.707 0 40 DFAB C[C@H](CO)NC(=O)c1ccc(NCc2cccc(F)c2F)cc1 84640307 GGXBWGCYPAZERC-LLVKDONJSA-N 320.339 2.688 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)N(C)C[C@@H]1CCN(C)C1 78757818 AIGBBFZEPWWVRY-OAHLLOKOSA-N 319.449 2.567 0 40 DFAB CN(C)C(=O)CCC[S@](=O)Cc1c(F)cccc1Cl 95413675 HABAXGFQGGTMQB-LJQANCHMSA-N 305.802 2.596 0 40 DFAB O=C(c1cccc(-n2cccn2)n1)N(CC(F)(F)F)C1CCC1 79022950 BDDIZFMMAZCGPZ-UHFFFAOYSA-N 324.306 2.824 0 40 DFAB Fc1cc2c(c(Cn3cnc(-c4ccccc4)n3)c1)OCOC2 95971547 UJCWHGXUZDVLSQ-UHFFFAOYSA-N 311.316 2.999 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccccn1 95946555 WGZYOWRQPKYTCU-MRXNPFEDSA-N 309.369 2.556 0 40 DFAB C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1 95990381 RPNKDPVNXGNGKQ-AAEUAGOBSA-N 313.344 2.538 0 40 DFAB C[C@H](CC(=O)N[C@H](CC(=O)O)c1ccccc1)n1cccc1 95948417 JEYMXDJUHGXOPN-UKRRQHHQSA-N 300.358 2.771 0 40 DFAB C[C@]1(c2cccs2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O 95944880 UEVWAXFJCIWHKW-CQSZACIVSA-N 321.789 2.764 0 40 DFAB O=C(Cn1c2c(sc1=O)CCCCC2)N1CCCCCC1 89818974 WZJMXIDGZHGQAG-UHFFFAOYSA-N 308.447 2.581 0 40 DFAB CCN(CC)CC(=O)N1CCC(Nc2ccccc2F)CC1 75805810 CGBMEVRVSBDIQL-UHFFFAOYSA-N 307.413 2.570 0 40 DFAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 33603065 VFCCNJCFFPULCZ-MWDXBVQZSA-N 322.788 2.558 0 40 DFAB CNC(=O)c1cn[nH]c1[C@H]1CCCN1Cc1cccc(Cl)c1 72366793 KJKLCIBXWOACBW-CQSZACIVSA-N 318.808 2.760 0 40 DFAB CCOC(=O)/C(=C/c1ccco1)c1nc(-c2cccnc2)n[nH]1 32598251 OQCZVAQXFFUWBB-UKTHLTGXSA-N 310.313 2.563 0 40 DFAB COc1ccccc1[C@H]1CN(C(=O)c2cccs2)CCN1C 36131880 XYAHAZWRYUFFES-CQSZACIVSA-N 316.426 2.886 0 40 DFAB O=C1CCCN1[C@@H]1CCCN(c2ccnc3cc(F)ccc23)C1 79097115 IXJIOHFBQXCMCZ-CQSZACIVSA-N 313.376 2.965 0 40 DFAB CN(Cc1nccs1)C(=O)Nc1cccnc1N1CCCC1 72736648 UFTISWDYDXDAMS-UHFFFAOYSA-N 317.418 2.802 0 40 DFAB Cc1cccc(-c2noc(CCC(=O)NCc3ccncc3)n2)c1 41184427 AIWYISBVETVHHD-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C 42646244 SRJZSKHOURVOSY-SECBINFHSA-N 313.195 2.611 0 40 DFAB CCc1cnc(CCNC(=O)[C@H]2COc3ccccc32)s1 81203789 FHLHHTWBVALMOO-ZDUSSCGKSA-N 302.399 2.540 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1 44448585 MODWPURVKDJTQJ-UHFFFAOYSA-N 306.715 2.660 0 40 DFAB O=C(Nc1cnc(-n2cccn2)nc1)c1c(F)cccc1Cl 75161633 JIBNALJNNTXEOX-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCOC(=O)CC(=O)c1cnc(NC(=O)OC(C)(C)C)s1 199565748 ZHBDFVKXWBPAKH-UHFFFAOYSA-N 314.363 2.626 0 40 DFAB CCNC(=S)Nc1nc(C)cc(N2Cc3ccccc3C2)n1 225883616 YWINVWBCYGECRI-UHFFFAOYSA-N 313.430 2.612 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)c2ccc(C#N)cc2)C(=O)O)c1 195542125 XUBSYUGKOLZFFV-KRWDZBQOSA-N 322.364 2.540 0 40 DFAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4sccc4C)C[C@H]3O2)n1 96220462 QSXPKJGIOSGMHA-MELADBBJSA-N 319.430 2.580 0 40 DFAB CCOc1ccc(NC(=O)c2scnc2CC)cc1CO 95447800 MWNYZPMJPJMAIK-UHFFFAOYSA-N 306.387 2.849 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)c2cn3c(n2)CCC3)s1 580895282 VPYCOKSHSBQFDS-NSHDSACASA-N 318.446 2.990 0 40 DFAB COC[C@H]1CN(Cc2cccc(Cl)c2)Cc2ncn(C)c21 96044783 GCBWJVJDJVMFHE-CYBMUJFWSA-N 305.809 2.819 0 40 DFAB NC[C@H]1COc2c(Br)cc(Br)cc2C1 95743791 SGWPMFUMHIBQNC-LURJTMIESA-N 321.012 2.721 0 40 DFAB COC[C@H]1CN(Cc2ccco2)CC12CCN(CC1CC1)CC2 247899806 VTMAHEGPRUCXQG-QGZVFWFLSA-N 318.461 2.850 0 40 DFAB CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(Cc1cncc(Cl)c1)C2 247964882 GGZCJDLYUBTKBQ-RDJZCZTQSA-N 321.852 2.815 0 40 DFAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1C(=O)O 257337124 YRMVJPLLZCMART-LGYCOIBBSA-N 320.341 2.723 0 40 DFAB Cc1nc2ccccn2c1CC(=O)N[C@H]1CCc2ccccc21 257337240 YRZPKFNFJZRDSD-INIZCTEOSA-N 305.381 2.989 0 40 DFAB CS(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257295773 QZTZBVBXFGWRME-CQSZACIVSA-N 324.377 2.501 0 40 DFAB CC(C)c1cc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cs1 257219449 DGVHMQRLMDVQHN-CYBMUJFWSA-N 305.403 2.808 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@@H](Oc2cnsn2)C1 618256982 NPFJUECLTMVRTK-LLVKDONJSA-N 315.354 2.578 0 40 DFAB CO[C@@H]1CN(C(=O)c2cnoc2)CC[C@@H]1Cc1cccc(C)c1 585279764 OMCIFKPAUJUJSI-NVXWUHKLSA-N 314.385 2.703 0 40 DFAB Clc1ccc2ncc(-c3cnc(C[C@H]4CCNC4)cn3)n2c1 585262893 COJLNKLRPXLIFF-LLVKDONJSA-N 313.792 2.597 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)c1ccc2c(c1)OCO2 53190981 KLZNRZFKNJTJPQ-NSHDSACASA-N 301.317 2.915 0 40 DFAB COc1ccc(Cl)cc1NCCC(=O)NCc1ccncc1 58203548 FCHWTFDMJXRXPD-UHFFFAOYSA-N 319.792 2.862 0 40 DFAB CN(CCCNC(=N)NCc1ccccc1)Cc1ccccc1 57752206 SDEDFDSLBHBWNM-UHFFFAOYSA-N 310.445 2.823 0 40 DFAB CN(CCOc1ccccc1)C(=O)c1cc(-c2ccccn2)n[nH]1 12116955 PTQRNXWKNVEBJW-UHFFFAOYSA-N 322.368 2.623 0 40 DFAB Cc1nonc1CC(=O)NC1(c2ccc(F)cc2)CCCC1 12143138 HWRWKHGTCYZEKZ-UHFFFAOYSA-N 303.337 2.645 0 40 DFAB COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 16966045 SCLICVOXFQUCSF-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB CCOCCCNC(=O)c1cc2ccc(OC)cc2nc1C 17402008 AFLFFJPZVWSZLD-UHFFFAOYSA-N 302.374 2.708 0 40 DFAB Cn1ncc2c1CCCN(C(=O)Cc1ccc(Cl)cc1)C2 19289641 UKNWVNTWLOAFMX-UHFFFAOYSA-N 303.793 2.591 0 40 DFAB COc1ccccc1N1CCN(c2nc3ccccc3n2C)CC1 33373868 HLZFOHUYIZVUSK-UHFFFAOYSA-N 322.412 2.909 0 40 DFAB O=C(NCCCc1cnoc1)c1ccccc1Br 244955845 GCDFGPMBVLRCAY-UHFFFAOYSA-N 309.163 2.800 0 40 DFAB O=C(NC[C@@]1(O)CSCc2ccccc21)[C@@H]1CC=CCC1 2087122780 IUQKQEOAJFWAQZ-CXAGYDPISA-N 303.427 2.594 0 40 DFAB CN(C)Cc1cncc2c1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565555621 DYNFIDULLRTGHR-SHTZXODSSA-N 315.461 2.854 0 40 DFAB Oc1c(Br)cc(CN2CCOCC2)c2cccnc12 33431 VOLHGNHNNRKGCV-UHFFFAOYSA-N 323.190 2.535 0 40 DFAB CCCCN(C)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163796 NXMNNHKMNMBKIA-UHFFFAOYSA-N 315.417 2.507 0 40 DFAB Cc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)cc1 5154349 ZBXCLQCNJCXBBL-UHFFFAOYSA-N 310.332 2.947 0 40 DFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 5440549 GUZCBYQAMQKBAM-UHFFFAOYSA-N 324.336 2.794 0 40 DFAB Cn1nc(-c2ccccn2)cc1CNC(=O)/C=C/c1ccccc1 1775966361 AENPSQYLEQIHHM-ZHACJKMWSA-N 318.380 2.812 0 40 DFAB COc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1 23105456 VQCYKUKGLMYLGU-OAHLLOKOSA-N 318.442 2.718 0 40 DFAB Cc1cc(N2CCC(NC(=O)C(C)(C)C)CC2)nc(C2CC2)n1 1057868173 NOLHPHDRDJNVFK-UHFFFAOYSA-N 316.449 2.794 0 40 DFAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 30365687 KREMYIPUUXKBHR-CYBMUJFWSA-N 324.833 2.536 0 40 DFAB COCCn1cnnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1 40456822 FOIGGJPBTMOXNC-ZDUSSCGKSA-N 319.430 2.905 0 40 DFAB COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 101237790 NTGCURASHQAGLR-RLFYNMQTSA-N 314.429 2.642 0 40 DFAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 11754586 UTJXSMBINCJVIJ-SFHVURJKSA-N 319.408 2.623 0 40 DFAB O=C(NCc1cccc(Cn2ccnc2)c1)Nc1ccccn1 46019604 CZMSOAIWVOVOBX-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB COc1cc(CN(C)[C@H](C)C(=O)N2CCCC2)ccc1SC 69389378 OKRSSACZXGZXQD-CYBMUJFWSA-N 322.474 2.860 0 40 DFAB C[C@H]1CN(C(=O)NCc2ccccn2)C[C@@H](c2ccsc2)O1 89936963 CDDMJUARYCRUGW-WFASDCNBSA-N 317.414 2.815 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)c1 2644554 XKAJQNGVLDIWQI-MRXNPFEDSA-N 314.385 2.659 0 40 DFAB CCOC(=O)c1c(C)c(CNC(C)C)n(CNC(C)C)c1C 1679627 FVQPUCICYPQZED-UHFFFAOYSA-N 309.454 2.735 0 40 DFAB Cn1nnnc1SCc1csc(Nc2ccccc2)n1 3227503 IQRDTNFGICLYAC-UHFFFAOYSA-N 304.404 2.703 0 40 DFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC1 3415340 PWSUHRSMRCABSF-UHFFFAOYSA-N 314.307 2.691 0 40 DFAB Cc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1Cl 3532711 OUHHEKIXVYGKIP-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)(C)C)c1C 3590629 JGFXUZYJQJGNIM-UHFFFAOYSA-N 309.362 2.580 0 40 DFAB O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)N1CCc2ccccc21 51997048 ICCDHXUPESLVLR-ZWKOTPCHSA-N 314.429 2.609 0 40 DFAB COC(=O)c1cn(C(C)C)cc2c(=O)n(-c3ccccc3)nc1-2 101713912 AJZPXHYXKJVJMG-UHFFFAOYSA-N 311.341 2.506 0 40 DFAB C[S@@](=O)C[C@](O)(c1ccccc1)c1nccc2ccccc12 4824255 SRALUZXSTMYRKP-AVRDEDQJSA-N 311.406 2.849 0 40 DFAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccco1 4923179 SKSPZNXJEWVTJV-UHFFFAOYSA-N 318.383 2.720 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1F 8394596 ZVSQQLBJHCXSMB-INIZCTEOSA-N 316.376 2.867 0 40 DFAB COc1ccccc1CNC(=O)COc1ccc(F)cc1F 32878734 IRYQFYHKHQLQOB-UHFFFAOYSA-N 307.296 2.669 0 40 DFAB CCC(C)(C)NC(=O)c1nnn(-c2ccccc2OC)c1C 32967786 XMNJRZRTTVBSDS-UHFFFAOYSA-N 302.378 2.503 0 40 DFAB CCCCCNC(=O)NC[C@@H](C)N1CCc2sccc2C1 46907933 XSUFOINSFJZHOR-CYBMUJFWSA-N 309.479 2.984 0 40 DFAB C[C@@H](NC(=O)C1(C)CCOCC1)c1cccc(-n2cccn2)c1 76091633 XCDZSHUCGWTQGH-CQSZACIVSA-N 313.401 2.866 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2nccs2)C1 109052444 LHLGNXCYYVIWFR-CYBMUJFWSA-N 318.446 2.822 0 40 DFAB COc1ccccc1CNC(=O)[C@@H](OC[C@H]1CCCO1)C(C)C 58029642 RKRLWYMIWLAGTB-WBVHZDCISA-N 321.417 2.532 0 40 DFAB CCN(CC)c1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 12540173 DFAWUQGSHXOXKI-MRXNPFEDSA-N 305.422 2.632 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2F)on1 25069403 VFFHUIZPVLCFLR-JTQLQIEISA-N 309.316 2.720 0 40 DFAB Nc1cc2ncnn2c(SCc2c(F)cccc2Cl)n1 1407206 XFVBXDRWDRWKDW-UHFFFAOYSA-N 309.757 2.791 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nncs1 57153691 DKYVXCAIGDUKHP-LLVKDONJSA-N 303.387 2.995 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(N)cc1 47844004 QLRFXKYTGSVXQJ-CQSZACIVSA-N 320.389 2.825 0 40 DFAB in-vitro COc1cccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)c1 101275931 FGYPWFLCGOYWAL-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)O 44295403 IRPUGZRSSXYLGR-LBPRGKRZSA-N 305.330 2.953 0 40 DFAB CSc1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 21157438 MHETYLDGCNDRHL-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB CC(=O)Nc1nc(C(=O)N2C[C@H](C)c3ccccc32)cs1 78347734 WRXUCJBUWGDTRZ-VIFPVBQESA-N 301.371 2.865 0 40 DFAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCc2sccc2C1 10107497 JQKNSOVNAJKGGX-GFCCVEGCSA-N 318.417 2.950 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1C 28577417 FSONRFSDGHUQFH-UHFFFAOYSA-N 307.419 2.937 0 40 DFAB CCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1 3473873 DIFPVFJQOLGZTK-UHFFFAOYSA-N 306.309 2.643 0 40 DFAB C[C@@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC1CCCC1 12911284 INJWXSFAVNCMTF-CYBMUJFWSA-N 317.385 2.640 0 40 DFAB O=C(Nc1nccs1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 48626797 VTPJVHMZEDESHB-ZETCQYMHSA-N 313.791 2.990 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)n(C)n1 27934280 XGDUEUBMFHZIAC-UHFFFAOYSA-N 301.371 2.683 0 40 DFAB O=C1CN(C(=O)c2ccc3ncsc3c2)c2ccccc2N1 8429553 ZHLZGZOHTJBBNS-UHFFFAOYSA-N 309.350 2.895 0 40 DFAB N[C@H](CC(=O)O)c1ccn(-c2ccc(Br)cc2)c1 4050262 GYUPTAKARIBZKX-GFCCVEGCSA-N 309.163 2.714 0 40 DFAB CN1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1 13729227 DKZXFNPVEMCVCD-UHFFFAOYSA-N 312.398 2.796 0 40 DFAB C[C@H](CNc1ccccc1)NC(=O)c1ccc2nccnc2c1 92124643 CGRHZDFKEQZFBN-CYBMUJFWSA-N 306.369 2.860 0 40 DFAB O=C(Cc1ccc(Br)cc1)NCCc1ccco1 14137009 AGEZTBRTNQUPCX-UHFFFAOYSA-N 308.175 2.944 0 40 DFAB C[C@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 6908592 ZIJSYJPKLMUXSW-JTQLQIEISA-N 303.431 2.705 0 40 DFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(C[C@H]2CCCO2)C1=O 7088442 GESJWHGVRIYUDY-AUUYWEPGSA-N 324.380 2.786 0 40 DFAB C[S@](=O)c1ccc(CNC(=O)NCC2(C)CCCC2)cc1 80124846 NRNLITBMFNNCJV-OAQYLSRUSA-N 308.447 2.804 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)cc1 21705648 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O=C(O)CC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 97001640 HAAACIDBNVWNKF-GFCCVEGCSA-N 300.358 2.885 0 40 DFAB COCc1ccccc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 72281005 DCABBYJACZCNRD-NSHDSACASA-N 301.390 2.674 0 40 DFAB Cc1cc(C)n(CCCNCc2c[nH]nc2-c2ccc(C)o2)n1 97159542 ZPIZWLBTGZGCIQ-UHFFFAOYSA-N 313.405 2.971 0 40 DFAB CC/C=C(\C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 97315704 CXHXMFNPEDBGQI-SYZQJQIISA-N 316.445 2.616 0 40 DFAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CO)C1 84410486 LYMDKCPYHMCMGA-WBVHZDCISA-N 322.424 2.807 0 40 DFAB CCCNc1nnc(Sc2ccc3nccnc3n2)s1 95395439 DYUFTXCFNPEEJG-UHFFFAOYSA-N 304.404 2.849 0 40 DFAB COC[C@](C)(NCc1ccc(Cl)cc1Cl)C(=O)OC 95454703 SDQOSLMIOBXKOH-ZDUSSCGKSA-N 306.189 2.661 0 40 DFAB CN(C(=O)NCc1ccc2c(c1)CCC2)C1CCC(CO)CC1 95430484 JYJZRNQBLAPHFG-UHFFFAOYSA-N 316.445 2.868 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)c(N(C)C)c1 95939447 UMEMYKOLSGPMHE-MRXNPFEDSA-N 319.449 2.506 0 40 DFAB COc1cccc([C@@H](O)C(=O)NC[C@@H](C)c2ccsc2)c1 95979447 BOSDMTJXJDYDGD-IAQYHMDHSA-N 305.399 2.710 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sn1 89608905 KRJCIOMSXPWBHC-JTQLQIEISA-N 305.334 2.655 0 40 DFAB COc1ccc(/C=C2/N=C3CCCCCN3C2=O)c(OC)c1 26442092 HGGIWOBYJIOSCP-GXDHUFHOSA-N 300.358 2.859 0 40 DFAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2nccs2)CC1=O 408644764 SXCUPKUDLZMIQZ-LBPRGKRZSA-N 315.398 2.752 0 40 DFAB CC(=O)N[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 25381123 VZAWKQLWGKDZFQ-OAHLLOKOSA-N 324.424 2.849 0 40 DFAB CCS(=O)(=O)NCCc1c(C)[nH]c2c(C)ccc(Cl)c12 32648509 JJCGPJRHPYGISX-UHFFFAOYSA-N 314.838 2.920 0 40 DFAB C[C@@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 72203970 ZZBRODJIOYUUOZ-ZIAGYGMSSA-N 320.437 2.917 0 40 DFAB CCOCCCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 79360968 ZRQPJKBOYFBKQU-FQEVSTJZSA-N 317.838 2.974 0 40 DFAB CC(C)N1CCO[C@@H](COc2ccccc2Br)C1 79939202 JOHCFSOVCVZRIL-GFCCVEGCSA-N 314.223 2.937 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@H](c2ccnn2C)C1 72270559 FGVCXFZAGBJNLM-ZDUSSCGKSA-N 303.381 2.947 0 40 DFAB Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@H](N)c1ccccc1 72223715 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2.837 0 40 DFAB CO[C@@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1cccc(F)c1 643914833 XVFLKXWTNHRERP-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(C)s2)n1 11169104 PHMAOGSDJRSWQN-UHFFFAOYSA-N 310.400 2.871 0 40 DFAB CCSCC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056223826 DWEQBAZCHSFUOD-BZNIZROVSA-N 322.405 2.508 0 40 DFAB CNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 7003279 UOWRUYFRIOCSOD-UHFFFAOYSA-N 322.317 2.948 0 40 DFAB O=C(NCCCOC(=O)c1ccccc1Cl)c1ccncc1 8843565 MKSYDBIJNGQWHJ-UHFFFAOYSA-N 318.760 2.712 0 40 DFAB COc1nc(C)c(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)n1 585436052 NUIIXPANMZAPJK-UHFFFAOYSA-N 321.402 2.520 0 40 DFAB CSc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 7745756 RCSRNHMRTJRIDF-UHFFFAOYSA-N 323.395 2.908 0 40 DFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(C)s2)C1=O 1129072 GXUJIGKLLYAXSS-NDVARNPJSA-N 311.384 2.654 0 40 DFAB CCc1nc(NC(=O)CCNC(=O)c2ccccc2)sc1C 40118943 AAVIPNDDDPJHGP-UHFFFAOYSA-N 317.414 2.773 0 40 DFAB C[C@@H]1CCCN(CCCNS(=O)(=O)/C=C/c2ccccc2)C1 40105104 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CC/N=c1/scc(-c2ccc(S(C)(=O)=O)cc2)n1CC 105956507 BGPVZCGALJACLV-CCEZHUSRSA-N 310.444 2.561 0 40 DFAB O=C(Nc1nncs1)N1CC=C(c2ccc(O)cc2)CC1 43127793 FWCZPSRLSWTBRR-UHFFFAOYSA-N 302.359 2.565 0 40 DFAB Cc1noc(C2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 106116601 RSKBNVDGIKEXGN-AEGPPILISA-N 303.406 2.910 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](CCO)C1 76023379 LJJXJGHKOAHVDW-JTQLQIEISA-N 302.296 2.942 0 40 DFAB C[C@@H](OC(=O)c1csc(-c2cnccn2)n1)c1ccccn1 77943423 BADZMWFBUWKOMT-SNVBAGLBSA-N 312.354 2.913 0 40 DFAB Cc1cc(O)cc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 78869740 AOZKNSKOPHGRBB-UHFFFAOYSA-N 315.760 2.932 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 107366307 HYHNNONZLKIUJI-XJKSGUPXSA-N 303.406 2.643 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1nc(C(C)(C)C)no1 107504712 FIYVQIPPJVXJBH-BNOWGMLFSA-N 322.453 2.665 0 40 DFAB COc1ccc(OC)c([C@@H](C)N[C@@H](C(N)=O)c2ccccc2)c1 26221557 RRUBTDMYXBFCHL-SJKOYZFVSA-N 314.385 2.581 0 40 DFAB O=C(O)[C@@H]1CCCN1Cc1ccc(F)c(Br)c1 35300614 LYBYOKMJOUZKHQ-NSHDSACASA-N 302.143 2.637 0 40 DFAB C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 108382629 YKTIEJXLFIJRKE-KWBADKCTSA-N 300.324 2.962 0 40 DFAB CC(=O)NCCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 44686285 SMRBJJAZEURIFY-CQSZACIVSA-N 306.406 2.634 0 40 DFAB CC(C)N1CCC(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)CC1 65380533 IPOHLRHKMPLRCA-UHFFFAOYSA-N 320.481 2.786 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 24259152 FWIXIESUXOVFEE-UHFFFAOYSA-N 319.382 2.836 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1ccc(Br)cc1 58330603 DWVFVWYLZOZDNA-NSHDSACASA-N 300.152 2.637 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 28195352 XRHJXEHJSJTSRX-XJKSGUPXSA-N 318.417 2.827 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 12755690 WXRXHDVVODRJSG-IDVQTMNDSA-N 315.398 2.608 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)on1 48290992 LDWXXSZWYTWOQJ-CQSZACIVSA-N 323.356 2.541 0 40 DFAB COc1ccc(OC)c(CNC(=O)NCCc2ccccc2)c1 12982914 YASFPGFCWNCHPY-UHFFFAOYSA-N 314.385 2.746 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 69530529 HKURUBNIQUUQHM-CYBMUJFWSA-N 306.381 2.594 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1 63850126 FHQJNXAQXSYNPI-UHFFFAOYSA-N 305.403 2.883 0 40 DFAB Cc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1Br 6295218 JXJNFEBMJKSYHO-UHFFFAOYSA-N 307.147 2.698 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)N(C)C2CCCCC2)cc1 6218979 TVSMONUTBSRADJ-UHFFFAOYSA-N 304.390 2.815 0 40 DFAB CCCCCN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 8755472 BUIDJTNDZPPRCH-INIZCTEOSA-N 313.401 2.635 0 40 DFAB CN(C)C1(CNC(=O)c2n[nH]c3ccccc23)CCCCC1 5266004 SNTCOVRWEDYHPC-UHFFFAOYSA-N 300.406 2.557 0 40 DFAB Cn1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1 14093828 BEVZCRXXZGTLFH-UHFFFAOYSA-N 312.203 2.589 0 40 DFAB C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@H]4CCOC4=O)cc3c2C1 14139562 GLYHLHPMYGKKMH-HWPZZCPQSA-N 313.353 2.765 0 40 DFAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)c(C)c1C 6533251 YCOQIIIDFBUIOO-UHFFFAOYSA-N 316.430 2.850 0 40 DFAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccnc1 4749341 UCHZAZOAGSXOMQ-UHFFFAOYSA-N 319.748 2.954 0 40 DFAB O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1c1ccc(F)cc1 4815874 CULYBUOOAWWSGE-CQSZACIVSA-N 324.355 2.768 0 40 DFAB CN1CCN(C(=O)c2ccccc2F)c2nc3ccccc3nc21 14900935 RBPYUESQLSMLRD-UHFFFAOYSA-N 322.343 2.866 0 40 DFAB COc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)cc1 8924419 NQKQNNHULOUBDQ-VIFPVBQESA-N 318.402 2.810 0 40 DFAB CCc1ccc(OC)c(S(=O)(=O)n2cnc3ccccc32)c1 8132544 ZCSGBUCCFQIWFS-UHFFFAOYSA-N 316.382 2.844 0 40 DFAB C[C@@H](O)CN(C)C(=O)N[C@@H](CC1CCOCC1)c1ccccc1 96004724 TYNJQFIMAMHBCI-PBHICJAKSA-N 320.433 2.567 0 40 DFAB COC(=O)[C@@]1(F)CCN(Cc2cnc(-c3ccc(C)o3)s2)C1 93888182 LKEBZOCACLLRRT-OAHLLOKOSA-N 324.377 2.799 0 40 DFAB C[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1 83648939 DYKVXIVPUHQEJM-OLZOCXBDSA-N 300.468 2.871 0 40 DFAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 97002429 WQJGPVJSVMYJGG-MRXNPFEDSA-N 318.461 2.818 0 40 DFAB C[S@@](=O)c1ccc(NC2CCN(c3nccs3)CC2)cc1 97080870 AZCWMNFHLGXSPS-NRFANRHFSA-N 321.471 2.961 0 40 DFAB O=C(CNc1cnc2cc(Cl)c(Cl)cc2n1)NC1CC1 97082357 HTNSIWQBOHKZAI-UHFFFAOYSA-N 311.172 2.627 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 72298685 JFIWTXFHOYITKO-CQSZACIVSA-N 301.415 2.795 0 40 DFAB CSc1cncc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 97162942 WHEBRIKIDJWFIF-GFCCVEGCSA-N 322.478 2.576 0 40 DFAB O=c1[nH]nc(-c2ccco2)c2sc(N3CCCCC3)nc12 72332477 ZCZIPCOXIQKWEH-UHFFFAOYSA-N 302.359 2.630 0 40 DFAB Cc1noc(C)c1C[S@](=O)Cc1noc(-c2ccccc2)n1 95428083 YBLQXIGRNBLVIH-JOCHJYFZSA-N 317.370 2.790 0 40 DFAB CN(C)c1nnc(-c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)o1 95447284 GVKUKZWBBOBHHI-UONOGXRCSA-N 312.373 2.787 0 40 DFAB O=C1CC[C@@H](C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)N1 84838983 IHCBLVZWLKSTHZ-YOIRJEGESA-N 312.413 2.750 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)N2CCO[C@@H](C(C)C)C2)cc1 95994011 PLEOPUUMQABZMA-YCABEKBOSA-N 309.431 2.652 0 40 DFAB Cc1cccc(-c2noc(CN3CC[C@@H]4CCN(C)C[C@@H]43)n2)c1 95996037 XVMADDGUAGBQAP-HOCLYGCPSA-N 312.417 2.571 0 40 DFAB Cc1cc(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)n[nH]1 89599133 HDBFPIYTLZBVHV-SNVBAGLBSA-N 314.414 2.790 0 40 DFAB Cc1cnc(NC(=O)N(CCCO)Cc2ccccc2)s1 89702424 NFXFKXPYODURBP-UHFFFAOYSA-N 305.403 2.868 0 40 DFAB CC(C)Cc1nnc(NC(=O)CN(C)[C@@H](C)c2ccco2)s1 89856611 PXLQMXWPLBKWLN-NSHDSACASA-N 322.434 2.961 0 40 DFAB FC(F)(F)[C@H]1CCc2nnc(CNCc3cccs3)n2C1 89800019 SRMATMKLADDWLG-VIFPVBQESA-N 316.352 2.754 0 40 DFAB COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)O)cc1 1547138610 NZPUXXIKEZSLPS-UHFFFAOYSA-N 314.293 2.997 0 40 DFAB biogenic Cc1nnsc1C(=O)Nc1nc(-c2ccccn2)cs1 36709418 NMDJSZBWTTVCBR-UHFFFAOYSA-N 303.372 2.617 0 40 DFAB CC(C)COc1ccc(NC(=O)C(=O)NC2CCCC2)cc1 408707481 BXMLQLTXQRAGJL-UHFFFAOYSA-N 304.390 2.719 0 40 DFAB C[C@@H](OCc1ccccc1)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C 8243918 DMYNYZJGZSJUGU-TZMCWYRMSA-N 323.389 2.912 0 40 DFAB biogenic CCCc1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 72343311 ZXLVXWKCINQVTC-IAGOWNOFSA-N 322.412 2.664 0 40 DFAB COc1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1OC 8115536 KFMXQCMRVZKKMK-UHFFFAOYSA-N 320.776 2.725 0 40 DFAB O[C@@H](c1ccccc1)c1ccc(I)nc1 72225932 GVPHXVGZZMWHRD-LBPRGKRZSA-N 311.122 2.768 0 40 DFAB CCOC(=O)c1c[nH]c2c(C)c(Br)ccc2c1=O 36075578 HNKBNGWIOXRRSV-UHFFFAOYSA-N 310.147 2.776 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C1 560553977 VNJBNTAJOIOZOQ-CALCHBBNSA-N 317.433 2.613 0 40 DFAB COc1ccc(Cl)c2c1N(C(=O)Cc1ccon1)CCC2 74806536 XUUCAFSYHSCUMR-UHFFFAOYSA-N 306.749 2.859 0 40 DFAB CCOC[C@@H]1CCCN(C(=O)N[C@H](C)CC[C@@H]2CCCO2)C1 79306034 HWODECNRZVUABM-OAGGEKHMSA-N 312.454 2.792 0 40 DFAB CCN1CCN(c2c(N)cc(Cl)cc2Br)CC1 45886158 LQOYZCUTWXAWHR-UHFFFAOYSA-N 318.646 2.827 0 40 DFAB CC(C)N(CCNC(=O)[C@@H](C)OCc1ccccc1)C(C)C 48075306 NJZXSMDDEAXQFI-MRXNPFEDSA-N 306.450 2.827 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1ccon1 226851667 OTBRWJLTBBJSRD-LBPRGKRZSA-N 312.329 2.575 0 40 DFAB O=C(NC[C@@H](O)c1ccoc1)c1cccc(Br)c1 75171738 TWIPIKACUZHKLX-GFCCVEGCSA-N 310.147 2.506 0 40 DFAB O=C1CCCN1c1ccc(NCc2noc(C3CC3)n2)cc1F 86208212 PRICUTKTZUCJFV-UHFFFAOYSA-N 316.336 2.825 0 40 DFAB COc1ccc(CNC(=O)Cc2cccs2)c(OC)c1OC 45402432 FFOBFSJATSUPIS-UHFFFAOYSA-N 321.398 2.633 0 40 DFAB C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCCO1 96461759 VVHSMFWCBKUCER-NHYWBVRUSA-N 318.352 2.700 0 40 DFAB Cc1cc(CNC(=O)Nc2cccc(Cl)c2)nc(N(C)C)n1 96121321 WRJRFUMGVMNRSR-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB COC(=O)c1cc(Br)cnc1OCC(F)(F)F 143812980 WRJFLGKNVVAZCS-UHFFFAOYSA-N 314.057 2.572 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1F 96405883 VYNMFPBDZYVWJA-JKSUJKDBSA-N 320.383 2.811 0 40 DFAB COC(=O)c1cc(C(=O)OC)c2c(Br)cccc2n1 140148344 RXKHBUYBWXVJHZ-UHFFFAOYSA-N 324.130 2.571 0 40 DFAB O=C(CCn1ncc2ccc(Cl)cc21)N1CCSCC1 96182007 YISFWAJGNPEJAP-UHFFFAOYSA-N 309.822 2.655 0 40 DFAB O=C(CSc1ncccc1Br)NCC1CCC1 96411970 BBDZOEDHNHIPLX-UHFFFAOYSA-N 315.236 2.853 0 40 DFAB Cc1nc([C@H]2CCCN2Cc2cncs2)cc(N(C)C)n1 257313052 UQUFDDMIOPUSBI-CQSZACIVSA-N 303.435 2.645 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@@H]1c1ccnc(O)n1 257312612 UOTXXROUEYHXQM-OAHLLOKOSA-N 315.348 2.618 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@H](c4[nH]ncc4C)C3)c2n1 257248137 JCGINDZFLJVNDW-HNNXBMFYSA-N 324.432 2.757 0 40 DFAB CN1CCCC[C@@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1 257228446 FTWWDFZAWLHMJR-IBGZPJMESA-N 315.461 2.737 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H]2c2ccnc(O)n2)c2ccccc21 257284760 PEERWFPOFFFOCQ-INIZCTEOSA-N 322.368 2.651 0 40 DFAB CC(=O)OC(C)(C)C(=O)NCc1ccc(-c2cccs2)o1 575609184 QQRKZAZQTPHSGF-UHFFFAOYSA-N 307.371 2.966 0 40 DFAB CC[C@@H](C)N1C[C@]2(CCCN(Cc3csc(C)n3)C2)C1=O 585099482 MEYMKYQIMXMDDU-MLGOLLRUSA-N 307.463 2.674 0 40 DFAB COCC[C@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1 585095112 GGBMFPBGOYDJOQ-OAHLLOKOSA-N 318.442 2.787 0 40 DFAB O=C(C[C@H]1CCCO1)Nc1ccccc1NC(=O)N1CCCC1 58226536 LCKZSDYRCJHPSX-CYBMUJFWSA-N 317.389 2.822 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)Nc1cc(F)cc(F)c1 58281480 ZUOSRIFHDGRULV-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB O[C@@H](CN1CCC[C@H](N2CCCC2)C1)c1ccccc1Cl 71810966 ARXRLDAKICEJLT-YOEHRIQHSA-N 308.853 2.934 0 40 DFAB O=C(Nc1ccccc1)N1CCCN([C@@H]2CCSC2)CC1 1565521991 AEPQSMHDIWPJLR-OAHLLOKOSA-N 305.447 2.732 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[C@H](O)C1CC1 77107786 MMGMZOXCGXHSMA-AWEZNQCLSA-N 311.809 2.775 0 40 DFAB CS(=O)(=O)C[C@@H](NCc1ccncc1Cl)c1ccccc1 95985973 YLINBWIVEHBGKY-OAHLLOKOSA-N 324.833 2.611 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1cccc3c1OCCO3)CCC2 84257803 HLFUCNAPZJPLCG-HNNXBMFYSA-N 313.401 2.630 0 40 DFAB CC(C)N(C)C(=O)N[C@@H](C)c1ccccc1N1CCOCC1 86423966 TWLQHCRYGWHSIZ-AWEZNQCLSA-N 305.422 2.634 0 40 DFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(C(F)F)C1 585392156 ZIXZVGCQYRTPQM-UHFFFAOYSA-N 315.263 2.591 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCCCC2)c(OC)c1OC 571810 VBSFIKCHKFOMDW-CSKARUKUSA-N 305.374 2.738 0 40 DFAB O=C1C[C@@H]2CCN(CC3CC3)C[C@@H]2CCOc2ncccc2N1 1534646728 RKVGFNVLKDTKFJ-GJZGRUSLSA-N 315.417 2.541 0 40 DFAB CCCNC(=O)CSc1nnc(C)n1-c1cccc(C)c1 5358140 HXVNDCDYEKLBKC-UHFFFAOYSA-N 304.419 2.502 0 40 DFAB CC(C)/C=C/[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 5715251 PZSSHNWVJGSMGY-FFRPFHMCSA-N 321.461 2.757 0 40 DFAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)Nc2ccccc21 12089346 KZPVXSGFTINIGG-LJQANCHMSA-N 307.397 2.834 0 40 DFAB O=C(COc1nsnc1N1CCCCC1)Nc1ccccc1 12136887 GESKQGMBUFLLCL-UHFFFAOYSA-N 318.402 2.546 0 40 DFAB Cc1c(C(=O)NC[C@H](C)n2cncn2)[nH]c2c(Cl)cccc12 12201549 MRKQHFGGEPXHIL-VIFPVBQESA-N 317.780 2.712 0 40 DFAB COC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCOCC1 12326675 YWXTYFGNZBYJCM-UHFFFAOYSA-N 319.332 2.993 0 40 DFAB CC[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1cc(C)on1 16745758 ARMZOGMECJXHOK-GFCCVEGCSA-N 306.293 2.696 0 40 DFAB O=c1c2ccccc2nc2n1CCN(Cc1ccc(F)cc1)CC2 19375972 JLIKANPMXOCDAV-UHFFFAOYSA-N 323.371 2.594 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)CCc1ccc(F)cc1 19521886 LOIVCWGRUSNRPY-JTQLQIEISA-N 307.394 2.991 0 40 DFAB CCOc1ccc(-c2nnc(S[C@H]3C[C@H](C)OC3=O)o2)cc1 9365675 QMMPXZBHHQXKDL-CABZTGNLSA-N 320.370 2.931 0 40 DFAB O=c1c2ccc(F)cc2ncn1CC1CCN(CC2CC2)CC1 1848745275 CEYYTFVOGDOXOB-UHFFFAOYSA-N 315.392 2.658 0 40 DFAB COc1ccc([C@H]2CCCN2CCC(=O)NC2CC2)c(OC)c1 26908092 KGNOLHFQQOINKS-MRXNPFEDSA-N 318.417 2.509 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2n[nH]cc2Br)cc1 28236647 SYNHAIAFBBPAPA-MRVPVSSYSA-N 324.178 2.672 0 40 DFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)s2)C1 2087128970 FPXUZUNCBPOQDP-GFCCVEGCSA-N 322.478 2.889 0 40 DFAB O=C(/C=C/c1ccsc1)N1CCCN([C@H]2CCSC2)CC1 1565523648 SUANQAHBJFJXCT-FAAWYNLUSA-N 322.499 2.801 0 40 DFAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccccc1 251275 UVJXBENFGSPZFW-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB COc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N=C3O)cc2c1 8867234 VQRLLWISAHZISI-IZZDOVSWSA-N 318.379 2.866 0 40 DFAB CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 8840922 RYWKEXHVUCYQNT-UHFFFAOYSA-N 324.446 2.774 0 40 DFAB CNC(=O)C1(Nc2cccc(F)c2)CCN(CC2CCC2)CC1 2055739061 JWFLQVUYIFZGII-UHFFFAOYSA-N 319.424 2.618 0 40 DFAB COc1ccc(CCNC(=O)NC[C@@H](OC)c2ccco2)cc1 206869413 PNZBRNKHXUIPQW-MRXNPFEDSA-N 318.373 2.518 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccco1)n1cccn1 575613647 JGYKAVJNFABWDK-SCOAYWHSSA-N 307.353 2.895 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)nc2)cc1 30210310 PSWCAFPINMMJDP-UHFFFAOYSA-N 318.760 2.794 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)Nc1nnc2ccccn12 40141984 PFWHBXUSGZIPHO-GFCCVEGCSA-N 312.398 2.990 0 40 DFAB CCc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1 30596655 WMCMVGYKUUEPIV-UHFFFAOYSA-N 303.383 2.837 0 40 DFAB Cc1c(C(=O)N(C)C(C2CC2)C2CC2)cnn1-c1ccccn1 50400398 RVYMNTXKDPMSLX-UHFFFAOYSA-N 310.401 2.836 0 40 DFAB COCCn1cnnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1 40456821 FOIGGJPBTMOXNC-CYBMUJFWSA-N 319.430 2.905 0 40 DFAB COc1ccc(C(=O)NC(=S)N(C)c2ccccc2)cc1 343162 ISELMDVQVRIKGJ-UHFFFAOYSA-N 300.383 2.846 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1ccncc1 81529432 DOGLEJDWGBURDJ-CQSZACIVSA-N 310.401 2.632 0 40 DFAB O=C(NCCNc1cnccn1)c1cc2c(s1)CCCCC2 46018526 GXNLWDABCSQXEQ-UHFFFAOYSA-N 316.430 2.649 0 40 DFAB Cc1noc([C@H](C)S(=O)(=O)Cc2cccc(Cl)c2)n1 46094471 MWYDWRSDZIDGMX-QMMMGPOBSA-N 300.767 2.707 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)ccc1C 46209195 PSJGLSCJRDIQJC-LBPRGKRZSA-N 324.380 2.989 0 40 DFAB O=C(c1ccco1)N1CCC(c2nc(-c3ccccn3)no2)CC1 102310238 NGRWHVVWNLBKAG-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(Cl)c2-n2cncn2)cn1 32816777 SZJPWJARHYYHFH-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Clc1cccc(OCCOc2ccc(-n3cnnn3)cc2)c1 32957884 POEJFCDRQFRRFR-UHFFFAOYSA-N 316.748 2.774 0 40 DFAB CC(=O)N1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)CC1 101024223 TXXDFVIPKURLPS-KNCVXQGMSA-N 318.461 2.674 0 40 DFAB CC(C)(C)C1=N/C(=C\c2ccc(N3CCOCC3)s2)C(=O)O1 22313808 BBWNBCWRNFLLEZ-BENRWUELSA-N 320.414 2.927 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)CO2 22595123 RQRGQPMRVNIVBS-ZDUSSCGKSA-N 324.380 2.769 0 40 DFAB COc1ccccc1[C@H](O)CNc1nccc(C(F)(F)F)n1 42109592 ZMCOLNGNFLTBGQ-SNVBAGLBSA-N 313.279 2.650 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cn1 22416877 OSHJWUVTMHVDQX-INIZCTEOSA-N 306.369 2.643 0 40 DFAB Cc1nnc([C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2Cl)o1 75605212 DPSQPBOCISIUFE-ONGXEEELSA-N 309.801 2.971 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H](C)Cn3ccnc3)coc2c1C 47257414 DPXWQABCIUDAFL-CYBMUJFWSA-N 311.385 2.994 0 40 DFAB Cc1ncsc1/C=C/C(=O)c1cccc(OCC(=O)O)c1 78692992 JBHYLHLAPQPNQG-AATRIKPKSA-N 303.339 2.811 0 40 DFAB CCCCC(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 8391270 LUZRKWMSXHHIAL-NSHDSACASA-N 309.362 2.723 0 40 DFAB Cc1cccc(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)c1 58061116 SVHLUPCLQXXNAO-UHFFFAOYSA-N 314.429 2.860 0 40 DFAB CC(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 27662094 VIQBDHCTTMKCNZ-MRXNPFEDSA-N 324.852 2.876 0 40 DFAB CCO[C@@H](C)C(=O)NCC1(c2ccccc2C)CCOCC1 58264548 BGZALRIPSGMUHK-HNNXBMFYSA-N 305.418 2.584 0 40 DFAB Cc1ccc([C@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)o1 44949510 YVEAWJNTDURKPA-LBPRGKRZSA-N 313.419 2.513 0 40 DFAB C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1 3246968 BEJZJHXYWSWAQT-SNVBAGLBSA-N 304.733 2.919 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Oc2ccccc2OC)c1C 36697637 GZJWFYCBZPQOQJ-UHFFFAOYSA-N 303.314 2.646 0 40 DFAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1c(F)cccc1Cl 3341717 NYOYYTGUDBZFEM-UHFFFAOYSA-N 324.739 2.713 0 40 DFAB Cc1nnc2ccc(N3CCC(OCc4ccccc4)CC3)nn12 48278799 IWOYHIXUVZWXDX-UHFFFAOYSA-N 323.400 2.618 0 40 DFAB O=C(CCCn1c(=O)oc2ccccc21)NCc1ccccc1 3402667 WTDOOVQWXMDQHM-UHFFFAOYSA-N 310.353 2.691 0 40 DFAB Cc1noc(C)c1CN1CCCN(C(=O)c2cccs2)CC1 62615395 XYCDPLPXXFBPMW-UHFFFAOYSA-N 319.430 2.701 0 40 DFAB CC(=O)c1ccc(C(=O)OCC(=O)NC2CCC(C)CC2)s1 25267410 FBRTVASYJPIWJS-UHFFFAOYSA-N 323.414 2.802 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)N[C@H]1c2ccccc2C[C@H]1O 69441685 SMANNMPTSXYYCD-CABCVRRESA-N 304.296 2.745 0 40 DFAB O=C(COc1ccc(Br)cc1)Nc1nccs1 3958641 GAHMDDQXPNJEQR-UHFFFAOYSA-N 313.176 2.923 0 40 DFAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1 69538147 LXMIDSWTASBZBR-UHFFFAOYSA-N 310.332 2.912 0 40 DFAB NC(=O)C[C@H]1CCCCN1C(=O)Cc1cccc2ccccc12 69583409 WWFPAAIPFVBOMC-MRXNPFEDSA-N 310.397 2.639 0 40 DFAB COC(=O)c1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)nc1 69896490 IHFQATCCKNHTGD-GFCCVEGCSA-N 310.353 2.707 0 40 DFAB Cc1ccc(CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)cc1 14071545 NWBDCJRKMOFEAV-OAHLLOKOSA-N 310.397 2.820 0 40 DFAB CCOCCO[C@@H](C)C(=O)NCC(C)(C)c1ccccc1OC 65521172 IAOVCCSZCUYMMC-AWEZNQCLSA-N 323.433 2.531 0 40 DFAB CC(C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 5533749 HSQHWPSYSKDHBM-DOMZBBRYSA-N 304.415 2.560 0 40 DFAB O=C(CN1CCC[C@@H]1c1ccccc1)NC(=O)NC1CCCC1 8705590 AKRSXKCZORSFQQ-MRXNPFEDSA-N 315.417 2.592 0 40 DFAB Cc1ccc2nc(NCc3ccc(F)cc3)c3nnnn3c2c1 6820904 JFVIJCWNEPZGPL-UHFFFAOYSA-N 308.320 2.732 0 40 DFAB COc1cc(CN(C)CC(F)F)cc(Br)c1O 92508927 NFWGTPJUINAUTB-UHFFFAOYSA-N 310.138 2.860 0 40 DFAB Fc1ccc2c(c1)[C@@H](N[C@@H]1CCc3[nH]ncc3C1)CCCO2 90455128 FVQJTDJIXALFKE-CJNGLKHVSA-N 301.365 2.910 0 40 DFAB COc1ccc([C@@H]2C[C@@H](c3cccs3)n3nnnc3N2)cc1 15866509 AOLHYDHOXLBAOA-STQMWFEESA-N 313.386 2.890 0 40 DFAB CCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 7572173 NTMWLIVBTCSFRG-UHFFFAOYSA-N 324.424 2.977 0 40 DFAB CCOCCN1CCN(c2ncc(Cl)cc2Cl)CC1 75572665 LDMDUXYYIUMXEM-UHFFFAOYSA-N 304.221 2.547 0 40 DFAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 8923736 GTHSEHHPODAHPT-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1ccn[nH]1 96003335 MFBROFSBSXAMHE-SNVBAGLBSA-N 311.307 2.718 0 40 DFAB CCN1CC[C@H](Nc2ccc(NC(C)=O)c(OC)c2)[C@H](C)C1 97045630 KJIGOCYCZAHMSQ-DOMZBBRYSA-N 305.422 2.796 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)[C@H](C)OC 97048611 AAPBWVAWBUOFBU-QMMMGPOBSA-N 301.184 2.854 0 40 DFAB CC(C)[C@H](NC(=O)NCCn1ccnn1)c1ccccc1Cl 97082905 LFNNBBKDFCMEKH-AWEZNQCLSA-N 321.812 2.628 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@@H](c2ccn[nH]2)C1 72282681 AJVKIPWTFOTSQB-CJNGLKHVSA-N 313.426 2.833 0 40 DFAB Cn1c(CNC(=O)c2coc3ccccc23)nnc1C1CCC1 97108951 MWEPDNXGKPEXNR-UHFFFAOYSA-N 310.357 2.759 0 40 DFAB CC(C)(CN1C(=O)N[C@H](CC(F)F)C1=O)c1cccc(F)c1 97232379 NXWMOONGZZSPQD-LLVKDONJSA-N 314.307 2.679 0 40 DFAB CCOC(=O)N[C@H](CN[C@@H]1CCCc2nc(C)sc21)C1CC1 95422522 YBCLGARFXCDNTO-TZMCWYRMSA-N 323.462 2.943 0 40 DFAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@H](CO)C2)c1 74768985 KYWSGXYDDVBQJG-CVEARBPZSA-N 304.434 2.648 0 40 DFAB Cc1ccn2c(NC(=O)CO[C@@H]3CCCC[C@H]3C)nnc2c1 121914058 RVXXPPUMOOMPKX-CHWSQXEVSA-N 302.378 2.572 0 40 DFAB O=C(CCCn1cccc1)Nc1nc(-c2cccs2)n[nH]1 524735503 GLICOIPQHTXSQY-UHFFFAOYSA-N 301.375 2.754 0 40 DFAB COc1ccc(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 30752565 TUNWNYOSMOTSLW-HOTGVXAUSA-N 318.461 2.722 0 40 DFAB O=C(CCNC(=O)c1cccs1)N[C@@H]1CCc2ccccc21 32843569 SALSAYIUMYVGCT-CQSZACIVSA-N 314.410 2.672 0 40 DFAB Cc1cccn2cc(CNC(=O)CCOc3ccccc3)nc12 71435419 XNYMCVNUGOQELU-UHFFFAOYSA-N 309.369 2.728 0 40 DFAB FC1(F)CCN(CCOc2ccnc(Br)c2)CC1 2362801546 RBVHKEPKVACPSJ-UHFFFAOYSA-N 321.165 2.954 0 40 DFAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)C(=O)O 36584682 IBKVKMPQCLXZNI-MRVPVSSYSA-N 324.789 2.975 0 40 DFAB COCc1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1 71195366 AQTPTTPBEZTDHK-UHFFFAOYSA-N 312.416 2.707 0 40 DFAB Cn1ccnc1[C@H](NCc1cnc2ccccc2c1)C(C)(C)CO 521394672 GUPNEWVFSXZWMI-KRWDZBQOSA-N 324.428 2.818 0 40 DFAB Cc1nc(Nc2nncs2)cc([C@H]2CCN(C(C)C)C2)n1 72382652 DIAJSSXMSCPFEY-NSHDSACASA-N 304.423 2.578 0 40 DFAB Cc1cc(SCC(=O)O)nc(COc2ccccc2C)n1 49468929 CIPVCYJRIGYMBL-UHFFFAOYSA-N 304.371 2.849 0 40 DFAB CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1=CCCCC1 195573639 MBSPKAZXRQTBHZ-UHFFFAOYSA-N 312.366 2.636 0 40 DFAB O=C(CSc1ccc(F)cc1)NCc1cnn2ccccc12 77193825 KYWRTUZQUCTEAI-UHFFFAOYSA-N 315.373 2.882 0 40 DFAB CN(C)c1ccccc1CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96444975 WVMYXLHPPPNVKY-SJORKVTESA-N 324.490 2.540 0 40 DFAB CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(C)n2C)s1 96454150 WQVOSAZBKWRMSY-NSHDSACASA-N 307.419 2.736 0 40 DFAB Cn1cc([C@H]2COC3(CCN(Cc4ccoc4)CC3)C2)cn1 96047788 LDJNNGIFIDMFAW-OAHLLOKOSA-N 301.390 2.552 0 40 DFAB Cc1cc([C@@H](C)NC(=O)N2CCCC3(C2)OCCO3)c(C)o1 95453687 OMSYNMOGGJYEBD-GFCCVEGCSA-N 308.378 2.506 0 40 DFAB COC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn2C1 96219696 QGKRBSDGAGIKAW-ZDUSSCGKSA-N 323.799 2.954 0 40 DFAB COC[C@H]1CN(Cc2ccco2)Cc2c1cnn2CC1CC1 96197910 CHEBEXHKRVUVHF-CQSZACIVSA-N 301.390 2.632 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181876 QFPMOCQNLXYILG-GDBMZVCRSA-N 306.381 2.652 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](CC)O1 333857983 PBOLIVALAYWMPX-CHWSQXEVSA-N 306.410 2.719 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H]1CC1(Cl)Cl)C2=O 245236982 AHDKLUSBDWCGIB-LNLATYFQSA-N 305.205 2.681 0 40 DFAB CNC(=O)c1cccc([C@H]2CN(C3CCCCC3)CCN2C)c1 257331118 XRLJLCIJEVTERX-GOSISDBHSA-N 315.461 2.667 0 40 DFAB O=C(c1cc2ccccc2s1)N1CCOC[C@H]1c1ccn[nH]1 257230419 GCFZXLNUWFSZFT-ZDUSSCGKSA-N 313.382 2.838 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4ccn[nH]4)C3)c2c1 257239326 HOUHVQQHCJSETG-LLVKDONJSA-N 310.357 2.529 0 40 DFAB CCCn1nc(C)c(C(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)c1C 257257747 KQXDNDYCJNEGPH-AWEZNQCLSA-N 315.421 2.571 0 40 DFAB COc1cccc(CC(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)c1 257339191 ZAPDMIVMJOZZSO-OAHLLOKOSA-N 313.401 2.675 0 40 DFAB O=C(C1CCC1)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 257326614 WXWVYCAPGXHPKT-CQSZACIVSA-N 312.373 2.985 0 40 DFAB COc1c(C)nc(C2CC2)nc1NC1CCN(CC(C)C)CC1 564450026 MMSRPBCIUUYHRO-UHFFFAOYSA-N 318.465 3.203 0 40 DFAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cc(C)on2)C1 585275192 ZPUOQISECUCXOA-SFHVURJKSA-N 316.401 2.961 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 48020409 ZJQBMKJGPGWHCD-UHFFFAOYSA-N 313.357 2.970 0 40 DFAB CN(C(=O)CNc1ccccc1-n1cccn1)c1ccccc1 55851097 CAWFCMZQBACEFX-UHFFFAOYSA-N 306.369 2.947 0 40 DFAB O=C1O[C@@H](C(=O)Nc2cccc3[nH]ccc23)Cc2ccccc21 58175630 YVZFSLZDYLVQOL-MRXNPFEDSA-N 306.321 2.888 0 40 DFAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCC(C)(C)c1ccc(F)cc1 69513516 OHRPUTFZHSOBFY-CZUORRHYSA-N 323.408 2.804 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc2ccccc2c(=O)[nH]1 105795551 LIQBFCNVEFVXHP-OAHLLOKOSA-N 323.400 2.615 0 40 DFAB C[C@H](Cc1ccsc1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 90591952 JEKPTOXJFDXNAS-ZYHUDNBSSA-N 320.380 2.822 0 40 DFAB COCc1csc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 97113335 ZBUHMCGLJUHGIG-GFCCVEGCSA-N 321.406 2.772 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 585234439 SBGRURJJEPKDCV-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB O=C(CSc1ncccc1Br)N1CCCC1 96411957 BATXWNLLYIJEJH-UHFFFAOYSA-N 301.209 2.559 0 40 DFAB COc1cccc(-c2cc(CC(=O)NC3CCCC3)no2)c1 11693174 XQEGILIOUSTNRF-UHFFFAOYSA-N 300.358 2.952 0 40 DFAB Cc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)o1 12185874 KCWRKGPYZBXARH-UHFFFAOYSA-N 322.368 2.704 0 40 DFAB COc1ccc(OC)c2[nH]c(=O)c(CNCc3ccccc3)cc12 13566701 GNKVYLOMFNKJGX-UHFFFAOYSA-N 324.380 2.835 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 17743882 XULTWLCBKDDTGE-LBPRGKRZSA-N 318.398 2.973 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 19592458 XCTIQCGGRBHZGU-CQSZACIVSA-N 303.358 2.540 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)c(C)c1 4965290 QXIQJSLHXUYNGN-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB O=C(c1ccccc1)N1CCC(N(c2ccncn2)C2CC2)CC1 1849167921 RRDWUYLQVQJCAT-UHFFFAOYSA-N 322.412 2.750 0 40 DFAB O=C1N(c2ccccc2)CCCC[C@]12CN(CC1CC1)CCO2 2037980603 ALXDWUOXLGJITI-IBGZPJMESA-N 314.429 2.685 0 40 DFAB c1ccc(-n2nnc3c(SCc4cccnc4)ncnc32)cc1 4062809 YFXSQVPIEOVEID-UHFFFAOYSA-N 320.381 2.898 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccco3)o2)c1 4107259 SRWULOBEWQNMBL-UHFFFAOYSA-N 315.285 2.599 0 40 DFAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)nc1O 5045316 GPSSPDMRJIBUBN-UHFFFAOYSA-N 324.793 2.578 0 40 DFAB Cc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)c(C)c1 5303671 PBPPVITUAKGNBG-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12 8584012 MNKWMGCRQMOQKC-UHFFFAOYSA-N 300.402 2.850 0 40 DFAB CSc1cccc(NC(=O)C(=O)NCc2cccs2)c1 10326366 PHQTUQXEHIWQCU-UHFFFAOYSA-N 306.412 2.725 0 40 DFAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCc1ccncc1 11693166 RCAAAYATXKBKAB-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB CCCC12CN3CC(CCC)(CN(C1)C3c1cccnc1)C2=O 19322762 CPNWVXZOUXXVJO-UHFFFAOYSA-N 313.445 2.867 0 40 DFAB biogenic CCc1nccn1CC1CN(C(=O)Nc2c(F)cccc2F)C1 1889994276 KVKGSOXGAKWAKD-UHFFFAOYSA-N 320.343 2.888 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)NC1CCCCCC1 40023767 UICMAAYGQNAMCL-UHFFFAOYSA-N 300.366 2.507 0 40 DFAB O=C(c1ccco1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 196578 QIVFNYOWEIHRES-UFBFGSQYSA-N 302.252 2.533 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc[n+]3[O-])C2)cc1 50768039 JGTODYWHWWTJPL-KRWDZBQOSA-N 310.397 2.723 0 40 DFAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)SC 40540937 CXYMAIBBJMQVLI-ZFWWWQNUSA-N 323.458 2.954 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 20737849 VHHUOPIKBXYGTD-FUHWJXTLSA-N 324.380 2.853 0 40 DFAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccco3)C2)c(OC)c1 89930409 ABXJEEBIKWIAAP-OAHLLOKOSA-N 314.341 2.994 0 40 DFAB NC(=O)c1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102236502 GTNPCJHERJIEQD-JBLDHEPKSA-N 316.426 2.877 0 40 DFAB Cn1ncc2c(N3CCC[C@H]3Cc3cccc(F)c3)ncnc21 52429781 PVRWENKZYIDOPK-AWEZNQCLSA-N 311.364 2.714 0 40 DFAB C[C@H](NC(=O)c1ccc(C(=O)O)cc1C(=O)O)c1ccccc1 6183083 ROKMUVJXVVSMRO-JTQLQIEISA-N 313.309 2.574 0 40 DFAB COc1ccc(CCC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 32809129 GETSALLMXSZSEG-ZDUSSCGKSA-N 324.384 2.548 0 40 DFAB COC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549827 CRUYKTMDCIMYMV-SNVBAGLBSA-N 303.387 2.798 0 40 DFAB CCCC(=O)NCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 32928465 QWUCCGFNYKXDQD-CQSZACIVSA-N 304.434 2.979 0 40 DFAB CC(C)Oc1ccc(C(=O)NC(=S)NCc2ccco2)cc1 8563321 MZMABJJKCXNCHM-UHFFFAOYSA-N 318.398 2.871 0 40 DFAB NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2ccccc12 8747795 ROABPZZTSYDGHR-INIZCTEOSA-N 318.380 2.751 0 40 DFAB CC[C@](C)(NCCCNC(=O)C(F)(F)F)c1nc(C)cs1 89942116 ZSHVREOBJJDYCA-LBPRGKRZSA-N 323.384 2.735 0 40 DFAB COCc1c(C(=O)N2CCO[C@@H]3CCC[C@H]32)oc2ccccc12 53375677 DDTKQSFYYHKMQJ-GDBMZVCRSA-N 315.369 2.973 0 40 DFAB CCN(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 46901533 JAFIFIBOWTXCTL-UHFFFAOYSA-N 311.426 2.580 0 40 DFAB CC(=O)c1cc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)n(C)c1 47005961 DALOJRJGTLWUNL-BLLLJJGKSA-N 306.406 2.553 0 40 DFAB Cc1cc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)no1 22759115 NMAFHBLFUZZBST-INIZCTEOSA-N 315.373 2.961 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)o1 42389333 LGMGHOLXCWFCPO-KBPBESRZSA-N 306.406 2.660 0 40 DFAB CC(C)n1ccc(C(=O)NCCNc2ccc3ccccc3n2)n1 76083609 IFACCWBVEKWBNC-UHFFFAOYSA-N 323.400 2.854 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)nn1C(C)(C)C 76051710 XZQZEYZGLYQCMC-CZUORRHYSA-N 320.481 2.784 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 104653472 YCMHONPROIXYTL-VZZFWQQMSA-N 318.417 2.973 0 40 DFAB Cc1sc(=O)n(CC(=O)N2CCC[C@@H]2c2cccs2)c1C 55161578 CRVWFMIJAFUGDX-GFCCVEGCSA-N 322.455 2.952 0 40 DFAB COc1ccccc1C(=O)c1cccc(CN2CCOCC2)c1 43210979 DNQLKRZGUNRODU-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB Cc1csc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 43273113 DFAGKOARZRWZEH-UHFFFAOYSA-N 320.798 2.723 0 40 DFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2ccnc2)cs1 12525334 ICVSEQOIGOPZOM-UHFFFAOYSA-N 324.409 2.904 0 40 DFAB COc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)c(C)c1 57471985 HIOMSFQMMKQJIP-UHFFFAOYSA-N 313.353 2.823 0 40 DFAB COCCn1cc(C(=O)NCCc2ccccn2)c2ccccc21 57419389 IHGCUTOXMPZFES-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cn1 27978339 KROKWJGSMQGSQO-CYBMUJFWSA-N 314.341 2.915 0 40 DFAB COc1ccc(CCC(=O)NCCn2cnc3ccccc32)cc1 58050368 CCLMXLLOMDWGDZ-UHFFFAOYSA-N 323.396 2.794 0 40 DFAB COc1ccc([C@@H](Cc2ccc(F)cc2)NS(C)(=O)=O)cc1 58194272 CREDAJZXVUWLBG-MRXNPFEDSA-N 323.389 2.667 0 40 DFAB CCn1nccc1CN(C)C(=O)Nc1cc(OC)ccc1OC 28219113 HRKCNEAPXYMZAM-UHFFFAOYSA-N 318.377 2.584 0 40 DFAB COC(=O)C1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 44873311 WBFOQTMWQBVGEV-UHFFFAOYSA-N 319.332 2.906 0 40 DFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 58208464 XWOQGLOJYJRGNW-SFHVURJKSA-N 324.428 2.609 0 40 DFAB O=C(NCCc1cn2ccccc2n1)N1CCCCCCC1 45610724 WTZOVRFYBPXYDN-UHFFFAOYSA-N 300.406 2.853 0 40 DFAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)n1ccnc1 48276848 WBBPRJXQDKOHGF-OAHLLOKOSA-N 312.417 2.703 0 40 DFAB Nc1cc(NC(=O)c2cncc(Br)c2)ccc1F 20480821 CYAXEORNHFPQSD-UHFFFAOYSA-N 310.126 2.818 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)[C@H](C)OCC2CC2)o1 64785283 SGURWHPGOMAMFQ-JTQLQIEISA-N 301.346 2.799 0 40 DFAB Cc1csc([C@H]2CN(C[C@H](O)c3cccc(F)c3)CCO2)n1 65474225 QXWOPMFENVOJCN-LSDHHAIUSA-N 322.405 2.698 0 40 DFAB COC[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC 65434159 CTOOOXZAUGUDLX-SWLSCSKDSA-N 322.405 2.585 0 40 DFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCCC1)C2=O 14238661 UDHWVZQWSHHJJL-UHFFFAOYSA-N 307.438 2.567 0 40 DFAB CCn1nc(C)cc1C(=O)Nc1cc(C)c(Br)cn1 94063773 RNQZRWZHKLUVCA-UHFFFAOYSA-N 323.194 2.930 0 40 DFAB NC(=O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 6784717 VJCDCBHTHBGHRC-QGZVFWFLSA-N 322.408 2.542 0 40 DFAB Cc1noc(CCCNC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)n1 66724481 NATMKSVLHDOJPW-PFEQHQSHSA-N 315.373 2.857 0 40 DFAB CC[C@H]1CCCCN1C[C@H](O)COCc1cccc(OC)c1 6936632 OKZZGKNJMNNYIT-IRXDYDNUSA-N 307.434 2.837 0 40 DFAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NC(C)(C)C 7189557 UWHPICODWSMVPD-JTQLQIEISA-N 322.409 2.802 0 40 DFAB c1ccc(-c2nc([C@@H]3COCCN3Cc3cccnc3)no2)cc1 96000011 NZFZVZVRLVFFLQ-INIZCTEOSA-N 322.368 2.705 0 40 DFAB C[C@H](CCCN(C)C)OC(=O)[C@H]1CCCN1Cc1ccccc1 96013345 FGMNNUMZCHKYSF-SJLPKXTDSA-N 318.461 2.925 0 40 DFAB CCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9364099 IABBVPMAGAKELZ-OAHLLOKOSA-N 301.390 2.528 0 40 DFAB Cc1cccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)c1C 9334360 CQJUHQSWUAMSGL-UHFFFAOYSA-N 312.369 2.828 0 40 DFAB Cc1cc(C)n(C[C@@H]2CN(c3nc4ccccc4o3)CCO2)n1 69349953 OWPQKDYTACFYGS-AWEZNQCLSA-N 312.373 2.547 0 40 DFAB O=C(NCC1(Sc2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681342 UQFCHHFNJKSFEJ-BPLDGKMQSA-N 318.442 2.930 0 40 DFAB CCN1CCCC[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 71847476 QHLADQIDKVFEGZ-QGZVFWFLSA-N 308.466 2.811 0 40 DFAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC(n2cccc2)CC1 83888569 MWBUJTMMRGYNEP-NVXWUHKLSA-N 320.433 2.626 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CN(CCO)C1CC1 71956078 XSBLOPUYHAMYSJ-UHFFFAOYSA-N 305.809 2.791 0 40 DFAB C[C@@H](CC(=O)N1CCCCCC1)Nc1cnn(CC(F)F)c1 97038025 XTXHKJRCEGGSET-LBPRGKRZSA-N 314.380 2.741 0 40 DFAB Fc1cc(Cl)cnc1N1CCC(O[C@@H]2CCOC2)CC1 79302255 WKPGWRAHKOCWEN-GFCCVEGCSA-N 300.761 2.648 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 72234479 XQRYFXYUUXSVKO-DLBZAZTESA-N 316.445 2.631 0 40 DFAB CC(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1nncs1 72289141 HWMHRHCEJOJWPT-CYBMUJFWSA-N 320.418 2.762 0 40 DFAB Cn1nccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 72277209 DXXVATLYESMCTR-QGZVFWFLSA-N 319.368 2.582 0 40 DFAB COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)cc1 72270813 RTGSTIDKYXYQKJ-CABCVRRESA-N 300.362 2.807 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[nH]c2ncccc12 72234104 PVOMGWBDIVXLBP-OAHLLOKOSA-N 323.400 2.891 0 40 DFAB COc1c([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)c(C)nn1C 72234306 GLVXYRJMBCQDRF-UONOGXRCSA-N 303.406 2.757 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@](C)(O)c2cccs2)c1 97143026 CEDMWTCIERWIBJ-OAHLLOKOSA-N 305.403 2.789 0 40 DFAB CCOc1cncc(N(C)Cc2csc([C@@H](C)OC)n2)n1 95425671 FTQMALGMOCNPPI-SNVBAGLBSA-N 308.407 2.676 0 40 DFAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)NC2=O)cc1 408919329 WMZLFPYTASXTQY-XNTDXEJSSA-N 308.337 2.754 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 95955549 KTSXYEQOOIDHKA-ZANVPECISA-N 316.382 2.608 0 40 DFAB CCc1cc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)on1 89282974 ZZLYMROAHACQJR-UHFFFAOYSA-N 323.418 2.816 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccco2)c(=O)[nH]1 75118964 YIWOMDQORUPZKT-MRXNPFEDSA-N 308.337 2.796 0 40 DFAB COc1cc(CSc2nnnn2-c2ccc(C)cc2)ccn1 89643113 ZTECGUPZZYQQCS-UHFFFAOYSA-N 313.386 2.667 0 40 DFAB O=C(COc1ccccc1)NC(=S)Nc1cccnc1Cl 21595669 QSUKQOUNNWGYCZ-UHFFFAOYSA-N 321.789 2.627 0 40 DFAB COc1cccc(NC(=O)CN(C)C(=O)CC2CCCC2)c1 32966462 DXVCFDOURYRABN-UHFFFAOYSA-N 304.390 2.672 0 40 DFAB Cc1ccc(S(N)(=O)=O)cc1-c1ccc(OC2CC2)cc1 527586963 ASSGNAOMQIRYNS-UHFFFAOYSA-N 303.383 2.851 0 40 DFAB COC(=O)c1ccccc1N(C)C(=O)CSc1ccncc1 121141331 LVFUKTXVEQRCDQ-UHFFFAOYSA-N 316.382 2.623 0 40 DFAB Cc1ccc2nc(SCc3ccccc3F)n(N)c(=O)c2c1 71768870 SXJQFORJUOTROA-UHFFFAOYSA-N 315.373 2.850 0 40 DFAB COc1cccc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1 225551218 MDKZQQYRHZLMEO-JKSUJKDBSA-N 314.360 2.991 0 40 DFAB CC(C)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226748601 HZKVLZFXFUSXMU-CQSZACIVSA-N 308.809 2.603 0 40 DFAB O[C@]1(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CCSC1 225578247 RGCXHMIPVWANKL-IRXDYDNUSA-N 318.417 2.768 0 40 DFAB O=C(Nc1ccccc1OC(F)F)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222433129 ADSJURQETKKVPA-GAQJKIJGSA-N 323.295 2.749 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1 222566288 CAGAGFFIUIZHAX-UHFFFAOYSA-N 311.341 2.701 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)on1 40714784 WQZBRXHWPFBJAS-NSHDSACASA-N 304.350 2.509 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccccc2F)C1 48267992 HFRDFCYVRWYYKO-GASCZTMLSA-N 306.425 2.852 0 40 DFAB CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 223353619 ZKNGREOWAFXKSO-UVTDQMKNSA-N 300.383 2.573 0 40 DFAB CS(=O)(=O)c1ccsc1NC(=O)c1cc(F)cc(F)c1 96411629 XACMLCKDWKKDCQ-UHFFFAOYSA-N 317.338 2.682 0 40 DFAB CN1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(F)c(F)c1 95449220 TXNZMHLCFBZKNL-CABCVRRESA-N 306.312 2.733 0 40 DFAB Cc1cccc2c1OCCC[C@@H]2NCCCO[C@H]1CCOC1 96479320 MKYUCJVOANWNGR-RDJZCZTQSA-N 305.418 2.994 0 40 DFAB COC(=O)N1CC[C@@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 97237110 SIFHGWWFSBQOAB-LLVKDONJSA-N 310.781 2.527 0 40 DFAB CCO[C@H]1C[C@@H](NCC2(OC)CCOCC2)C12CCCCC2 97231004 GEPIUSQWBWEIKJ-CVEARBPZSA-N 311.466 2.900 0 40 DFAB Cc1oncc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 96025682 KQPUKUNQIKUSFG-UHFFFAOYSA-N 311.341 2.534 0 40 DFAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1 96107467 KUHYVWPMYRQEGX-MFTLYIETSA-N 321.442 2.948 0 40 DFAB Cc1cccc(C(C)(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 96412735 YDOIWWIFEOIRMN-CYBMUJFWSA-N 304.434 2.897 0 40 DFAB O=C(c1ccc(OC(F)(F)F)cc1)N1Cc2cncnc2C1 96025487 XUDTVKDFBLMBBS-UHFFFAOYSA-N 309.247 2.531 0 40 DFAB COc1ccc(OCc2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1 95534865 WOYWVNJWNMVJIL-INIZCTEOSA-N 324.384 2.635 0 40 DFAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(C)nc2)cc1 97376325 JJWCQFYRWAJOIF-GFCCVEGCSA-N 312.369 2.994 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCCCC3)CC(=O)N2C)cc1 96181400 IECQUNKNXLFREE-RDJZCZTQSA-N 300.402 2.527 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)CNC[C@H]2C1 91303099 YTFDIYCLDYXIRQ-MAUKXSAKSA-N 302.418 2.785 0 40 DFAB Fc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cc1 247550701 VVPXTKPUJIKDNF-ZWKOTPCHSA-N 304.409 2.511 0 40 DFAB CCCCNC(=O)CCCn1cc(COc2ccccc2)nn1 252509501 YOVAROSNPFVMKC-UHFFFAOYSA-N 316.405 2.554 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCOc2ccccc2F)n1 257200915 AFIKPWSCWCFDLY-CQSZACIVSA-N 317.364 2.990 0 40 DFAB CC(C)N1CC[C@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257262965 LNUMHVVHBQLWKZ-NSHDSACASA-N 318.446 2.591 0 40 DFAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccccc3)CCC[C@@]21C 257255898 KJIVIRNFLXFSIC-AEFFLSMTSA-N 300.402 2.692 0 40 DFAB NC(=O)c1sc2ccccc2c1[C@@H]1CCN(c2ncccn2)C1 257312389 UNSMCZBJBNMLNF-LLVKDONJSA-N 324.409 2.784 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)s1 257295329 QXWZBYFPBPUPSK-LBPRGKRZSA-N 317.414 2.501 0 40 DFAB Cc1nccc([C@@H]2CN(Cc3cccc4[nH]ccc34)CCO2)n1 257215274 CPLBBDPEJJRBHC-SFHVURJKSA-N 308.385 2.840 0 40 DFAB Cc1nccc([C@H]2CN(Cc3cn(C)c4ccccc34)CCO2)n1 257232089 GJJFQALMGQPHMV-LJQANCHMSA-N 322.412 2.850 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2cccs2)nc(C)n1 257254268 KCKPGMHNCNBARI-LBPRGKRZSA-N 302.403 2.866 0 40 DFAB CC(=O)N1CCCC[C@@H]2CN(C(=O)c3sccc3C)CC[C@H]21 257236415 HCBATDBBMWPWSI-HUUCEWRRSA-N 320.458 2.920 0 40 DFAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cccs3)C[C@@H]21 257288749 PVLIPSDDPKEYMV-VNQPRFMTSA-N 314.458 2.885 0 40 DFAB O=C(O)c1ccccc1-n1cnc(CNc2nccs2)c1 257343918 ZUYAYDFJTZESTM-UHFFFAOYSA-N 300.343 2.639 0 40 DFAB O=C(NCCn1ccccc1=O)N[C@@H]1CCCC12CCCCC2 585094491 QJNDNNYYRZZKNM-OAHLLOKOSA-N 317.433 2.651 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CCO[C@@H]2CCC[C@H]21 56193851 DHADFKXEZQSHQK-HUUCEWRRSA-N 316.332 2.874 0 40 DFAB CCCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 76057032 YHVSMLSNVDIORE-IHRRRGAJSA-N 322.453 2.566 0 40 DFAB CCO[C@H]1C[C@@H](NC2CCN(C(C)=O)CC2)C12CCCCC2 95961136 CIGDGJPPFYNBNJ-SJORKVTESA-N 308.466 2.715 0 40 DFAB c1ccc(CN2CCN(c3nc(C4CC4)ns3)CC2)cc1 80761624 YSMANSSIYRSJMD-UHFFFAOYSA-N 300.431 2.738 0 40 DFAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 5197706 HKAWCARYPULOGM-XDTLVQLUSA-N 308.378 2.532 0 40 DFAB Cc1csc(=O)n1CCC(=O)NC12CC3CC(CC(C3)C1)C2 12624572 PUJABMIDIKAMPD-UHFFFAOYSA-N 320.458 2.693 0 40 DFAB CCCc1nnc2sc(-c3cncc(Br)c3)nn12 15423448 VTVPSIIBPQCEBM-UHFFFAOYSA-N 324.207 2.963 0 40 DFAB O=C(NC1CCCCC1)[C@H]1C=CCN1C(=O)c1ccc(F)cc1 19331900 HXDPFGWEPBYVCP-MRXNPFEDSA-N 316.376 2.655 0 40 DFAB O=C(C1CCC1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 19341327 MKQBQINOOQIURX-CQSZACIVSA-N 312.373 2.638 0 40 DFAB Clc1ccc2[nH]c(=N[C@@H]3CCN(C4CCOCC4)C3)oc2c1 1889098663 IKSHXEFFYBSFGO-GFCCVEGCSA-N 321.808 2.568 0 40 DFAB CCCOc1ccccc1OCC(=O)NCc1nc(C)cs1 21481976 GZBKQBFLZWSYDA-UHFFFAOYSA-N 320.414 2.936 0 40 DFAB Cc1ccc(NC(=O)NCc2nnnn2C2CCCCC2)cc1 10608517 VCUYMNRUZHXYTQ-UHFFFAOYSA-N 314.393 2.808 0 40 DFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)/C=C/c1cccs1)C3 208034529 CQQJEBSMHJXXCQ-SNAWJCMRSA-N 324.409 2.697 0 40 DFAB COc1ccc([C@H](C)OC(=O)c2ccc3nncn3c2)cc1F 73091649 YTQIQCWEKYJGLW-JTQLQIEISA-N 315.304 2.795 0 40 DFAB Cc1ccc(C(C)(C)C)cc1SCCN1C(=O)CNC1=O 40068587 YJKOLQCJQBFFIS-UHFFFAOYSA-N 306.431 2.936 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(c1)OCO2 40108274 ZYJIEGLFLIZZHX-JSGCOSHPSA-N 305.374 2.740 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@H]2Cn2cccn2)s1 70039621 UOFUADRYYZRCFB-LBPRGKRZSA-N 304.419 2.515 0 40 DFAB CCC(=O)Oc1cccc(C(OC(=O)CC)OC(=O)CC)c1 1676069 FRFVUUXEMRAZSX-UHFFFAOYSA-N 308.330 2.907 0 40 DFAB CCCCN1C(=O)C(=O)N(c2ccccc2C(F)(F)F)C1=O 1751449 YJZMGFWZQWQTLJ-UHFFFAOYSA-N 314.263 2.801 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cnnn2)cc1 356471 BXJPDRUIVKQZPF-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CC(C)N(C)C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 52247690 BFTPZILJSJGNNU-HNNXBMFYSA-N 310.825 2.580 0 40 DFAB CSc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 4517518 NLBKPGMBCDXSAI-UHFFFAOYSA-N 312.350 2.544 0 40 DFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCCCC1 4731993 SCZDOMOFNGIECL-CYBMUJFWSA-N 304.365 2.581 0 40 DFAB CCCCOc1cccc(C(=O)Nc2nnnn2CCC)c1 6264472 ZCTRSTXYIKIKFQ-UHFFFAOYSA-N 303.366 2.514 0 40 DFAB CCCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 497732 SOEFWXCQAOGOAY-UHFFFAOYSA-N 314.414 2.551 0 40 DFAB Cc1nc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)sc1C 8856553 UFJVFFSFEDKRCA-CABCVRRESA-N 308.403 2.820 0 40 DFAB CC(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 89962689 DDJHNNYZDQSKLT-OAHLLOKOSA-N 323.824 2.617 0 40 DFAB c1cc(CO[C@@H]2CN(CC3CCC3)[C@@H]3CCCO[C@H]23)ccn1 107717141 YZKVZWXESNXQCA-KURKYZTESA-N 302.418 2.630 0 40 DFAB COc1cccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c1 41137550 XTRGFTMSPILBKZ-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccc(F)cc3)C(=O)[C@H]2C1 105438403 XPOCSKKNYAEKMW-IYBDPMFKSA-N 317.360 2.936 0 40 DFAB Cc1cccnc1-n1cccc1CN(CCO)Cc1cccnc1 56681509 QQLNBXHANVCDCJ-UHFFFAOYSA-N 322.412 2.570 0 40 DFAB CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(C)ccc21 22234619 KGGXZXHYGROSBH-UHFFFAOYSA-N 321.380 2.655 0 40 DFAB O=C(N[C@@H]1CCCCNC1=O)c1sc2ccccc2c1Cl 42477958 QRVMBQBXOOJUAS-SNVBAGLBSA-N 322.817 2.953 0 40 DFAB c1ccc(CCN2CCCN(Cc3cccs3)CC2)nc1 75702043 CVKMURPYWDVQBD-UHFFFAOYSA-N 301.459 2.894 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccccn1 55520351 RFMRRZLVTIZPFR-OCCSQVGLSA-N 319.405 2.658 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cc(C)nn2C)c1 43433172 XANOVARBDXRQCK-NSHDSACASA-N 318.377 2.628 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1F 25189036 RQAXWAVAIZAULF-JTQLQIEISA-N 314.316 2.648 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CSc3ccccc32)no1 76043665 WHNZHGYNBGLCLG-CHWSQXEVSA-N 315.398 2.931 0 40 DFAB O=C(NCCc1nnc2n1CCCC2)Nc1ccccc1Cl 96012679 CNDHGAZUDRTPKG-UHFFFAOYSA-N 319.796 2.632 0 40 DFAB COc1cc2c(cc1OC)CN(CC[C@@H]1CCCCN1)CC2 20180458 MGIRUSIMQIDEBV-INIZCTEOSA-N 304.434 2.594 0 40 DFAB CCC[C@H](C(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 47872612 KIOSEXMAWCWEST-KRWDZBQOSA-N 318.461 2.797 0 40 DFAB CCCCN(CCCC)S(=O)(=O)N(C)Cc1ccncc1 58087284 FDOUBSCAUCWCMK-UHFFFAOYSA-N 313.467 2.660 0 40 DFAB COCCn1c(C)cc(C(=O)Cn2cnc3ccccc32)c1C 10008466 NHMRJRKULPRWSJ-UHFFFAOYSA-N 311.385 2.984 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)NC2CCCCC2)C[C@@H](C)O1 58210551 ORIFNUMBOWWDTF-UXLLHSPISA-N 323.481 2.602 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCOCC3(C)C)c12 58268469 ZOTSSUBKFHHIQY-UHFFFAOYSA-N 315.373 2.660 0 40 DFAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)COCc1ccccc1 58228931 JOCRERGRECALPD-UHFFFAOYSA-N 322.368 2.935 0 40 DFAB CCn1ccc2cc(NC(=O)CCNc3ncccn3)ccc21 58293821 NRDWDVDPDXMBFV-UHFFFAOYSA-N 309.373 2.892 0 40 DFAB CCC(CC)CN(CC)C(=O)c1cccc2c1OCC(=O)N2 78498987 WLXQJICADGFBHD-UHFFFAOYSA-N 304.390 2.916 0 40 DFAB NC(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 58381720 RLJSLEIGWWTDTA-UHFFFAOYSA-N 304.415 2.546 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1C 12601574 PMLFLEXWWWMHIQ-CWSCBRNRSA-N 306.406 2.515 0 40 DFAB CCc1cccc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 62374257 NIFMZJDRACLOGY-LBPRGKRZSA-N 315.373 2.668 0 40 DFAB Fc1cc(CN2CCC[C@H]2Cn2cncn2)c2ncccc2c1 69617506 AXACVCZSLMOOHM-INIZCTEOSA-N 311.364 2.630 0 40 DFAB COC(=O)c1cc(CNC(=O)c2ccc(C)s2)ccc1OC 18060558 ALNBSQLAXXQGLM-UHFFFAOYSA-N 319.382 2.782 0 40 DFAB CC(C)c1n[nH]c(C(=O)NCC2CCC2)c1Br 69872276 BCJMNUCGHAEIIH-UHFFFAOYSA-N 300.200 2.826 0 40 DFAB CN(C)C(=O)[C@@H](Oc1ccc(CC(=O)O)cc1)c1ccccc1 13421490 GCQCKJQCBQYVPP-KRWDZBQOSA-N 313.353 2.522 0 40 DFAB CCN1CCCN(C(=O)CCCOc2ccccc2F)CC1 69873560 XCIHBWVOMQOHNV-UHFFFAOYSA-N 308.397 2.539 0 40 DFAB COC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 4027933 HUEQCELAOKWRNB-JTQLQIEISA-N 302.326 2.530 0 40 DFAB biogenic CCCCCNC(=O)COc1ccc2c(C)cc(=O)oc2c1 4046661 MWLZDSZIJKPUGI-UHFFFAOYSA-N 303.358 2.787 0 40 DFAB biogenic O=C(Cn1cnc2ccccc2c1=O)c1ccc2c(c1)CCC2 6086972 SUDNZQDBBTXFOG-UHFFFAOYSA-N 304.349 2.768 0 40 DFAB CCN1CCN(C(=O)C(C)(C)Oc2cc(C)cc(C)c2)CC1 13744776 JTXOROKJOXDDTC-UHFFFAOYSA-N 304.434 2.625 0 40 DFAB CC1=N[C@](O)(c2ccccc2)[C@@H](NC(=O)c2ccccc2)S1 5232439 PWFBUTGZYOJAHX-IRXDYDNUSA-N 312.394 2.753 0 40 DFAB CCOc1ccc(C)cc1S(=O)(=O)NCc1cccs1 8714858 SCZGVKANUSTUGJ-UHFFFAOYSA-N 311.428 2.934 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccccc2F)C2=C(O)CCCC2=N1 4487070 UUKIRKZTZSGSCR-SECBINFHSA-N 302.305 2.748 0 40 DFAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\O)cc1 4550811 XKXYXCHRKNOYDS-ZPHPHTNESA-N 310.309 2.984 0 40 DFAB O=S(=O)(Cc1ccccc1F)N[C@@H]1CCCc2occc21 65611862 DHCJNSDRQVKAOM-CQSZACIVSA-N 309.362 2.916 0 40 DFAB Cc1oc(-c2ccco2)nc1CC(=O)N(C)Cc1ccncc1 65605362 WGXLNKFDNVKNMR-UHFFFAOYSA-N 311.341 2.839 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1CN1CCC[C@H]1c1ccccc1 14307756 KKUIXXXQHVHHHM-HNNXBMFYSA-N 313.401 2.646 0 40 DFAB Cc1cc(C)n2nc(SCCOc3ccccc3)nc2n1 8873657 PFHALZMAJQIQSS-UHFFFAOYSA-N 300.387 2.912 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)o2)C1 4836055 YEXFOJWWBIGQPV-JTQLQIEISA-N 307.375 2.680 0 40 DFAB Cc1ccc(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1 5814700 LWPMVJFOCCOYQR-UHFFFAOYSA-N 316.334 2.640 0 40 DFAB C[C@@H](Cc1cccc(F)c1)C(=O)NCCN1CCCC[C@H]1C 68862254 JDKSXFSNWGQQEO-LSDHHAIUSA-N 306.425 2.995 0 40 DFAB CCOC(=O)[C@H]1CCCCN1Cc1cc(F)cc2c1OCOC2 16699004 XOUUVXNVZGNNMS-OAHLLOKOSA-N 323.364 2.610 0 40 DFAB Cc1cc(NC(=O)[C@@]2(C)Cc3cc(Cl)ccc3C(=O)O2)no1 9488598 BYAOTKFEROSGAF-OAHLLOKOSA-N 320.732 2.747 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nncn2-c2ccccc2)C1 19849017 JJFNUOLTCSCWJE-CYBMUJFWSA-N 316.430 2.618 0 40 DFAB CC(C)[C@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 71908053 RUPWZQNFNBFPTD-AWEZNQCLSA-N 323.458 2.988 0 40 DFAB NC(=O)c1ccc(Cl)cc1OCCCOCC(F)(F)F 71916322 WOEAPWKXCNKXNH-UHFFFAOYSA-N 311.687 2.787 0 40 DFAB CCN(CC)CCCNC(=O)c1cc2cc(C)ccc2n1C 9668429 ZTRCGVRNFXTVCB-UHFFFAOYSA-N 301.434 2.948 0 40 DFAB CC(C)c1ncc(CN2CCN(Cc3ccncc3)CC2)s1 97139006 SOIPXIZOLKJVGW-UHFFFAOYSA-N 316.474 2.979 0 40 DFAB Cc1ncsc1CCOC(=O)c1ccc(N2CCCC2)nc1 97141471 GYUPHHIKWXIKBW-UHFFFAOYSA-N 317.414 2.846 0 40 DFAB COC[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 72313214 VQULNNBNVWPGOI-AWEZNQCLSA-N 319.792 2.777 0 40 DFAB CN(C)Cc1ccnc(NCc2ccn(-c3ccccc3)n2)c1 97231802 CDBWMBZIEZOOTN-UHFFFAOYSA-N 307.401 2.941 0 40 DFAB Cc1c(-c2nnc3sc(-c4cccc(F)c4)nn23)cnn1C 72405022 FBDKELFNKJRRLN-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)COc1ccc(F)cc1 97372614 BIDNACJCAIQJJS-GHMZBOCLSA-N 319.380 2.853 0 40 DFAB O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1cccc2cn[nH]c12 97370223 NRFKHFBFIWDZIB-AWEZNQCLSA-N 315.760 2.680 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1(C)C 84671009 AFINWELGYNDIDK-STQMWFEESA-N 310.438 2.866 0 40 DFAB Nc1nccnc1C(=O)N[C@H](c1cccnc1)C1CCCCC1 95397310 JVZFMISRCIQITO-AWEZNQCLSA-N 311.389 2.505 0 40 DFAB NC(=O)[C@@H]1CCC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 95440118 XFEXCKYUMZUADQ-MNOVXSKESA-N 318.314 2.978 0 40 DFAB C[C@H](C(=O)N1CCCC2(C1)OCCO2)c1ccc(Cl)s1 95443551 AQKMPUBVXGBFEW-JTQLQIEISA-N 315.822 2.871 0 40 DFAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)NCc1ccccn1 95478791 MTRCYNVZZVSWDT-UHFFFAOYSA-N 324.359 2.778 0 40 DFAB COc1c(F)cc(NC(=O)N2CCO[C@@H](C(C)C)C2)cc1F 95994323 CVEAMQMLEAUQCL-CYBMUJFWSA-N 314.332 2.862 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 95983123 DZZJRINHULRMHS-CQSZACIVSA-N 302.353 2.630 0 40 DFAB CS(=O)(=O)CCCCN1CCC[C@H]1Cc1cccc(F)c1 89484253 MHXQJIJFXUPQAM-INIZCTEOSA-N 313.438 2.657 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H]1C[C@@H]1c1ccccc1 89827976 QCEATJSNYZPMFP-QILLFSRXSA-N 313.445 2.574 0 40 DFAB O=c1[nH]c2c(sc3ncccc32)c(=O)n1CCc1ccccc1 32951131 RBCIWOYGYUILOW-UHFFFAOYSA-N 323.377 2.542 0 40 DFAB O=C(NCc1cccnc1)c1cccc(Oc2ncccn2)c1 56907093 OZUWDWZKLGNYDI-UHFFFAOYSA-N 306.325 2.594 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 34916217 PUFKSHQJYSRICX-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(CC(C)C)C[C@@H]12 72395796 MOYINYLMWQULRD-APWZRJJASA-N 314.429 2.692 0 40 DFAB COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N)cc1F 71790514 QDYHKYUYQAKZIN-JSGCOSHPSA-N 324.396 2.886 0 40 DFAB Cc1noc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 41122714 HXRGSIHTUSQDCP-AWEZNQCLSA-N 303.337 2.813 0 40 DFAB Cc1nn2c(=O)cc(CN(C)c3ccc(Cl)cc3)nc2s1 41108712 RZDOAZZJVCNVIJ-UHFFFAOYSA-N 320.805 2.749 0 40 DFAB S=C(NCc1cccnc1)Nc1ccc(N2CCCC2)nc1 223939470 CZHQRTMBBOUGGO-UHFFFAOYSA-N 313.430 2.563 0 40 DFAB CC[C@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc(Cl)c1 195543162 PVDHNIGGTGRMNV-GJZGRUSLSA-N 310.825 2.676 0 40 DFAB CC(=O)c1sccc1OCc1cc(-c2cnn(C)c2)no1 193533036 DLVAFXLNZGWGCB-UHFFFAOYSA-N 303.343 2.918 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1OC 225790570 DQQAEANKIXTTAF-MRXNPFEDSA-N 309.362 2.626 0 40 DFAB CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 40157356 AOTRRRWIJBINCZ-BABFGASTSA-N 320.477 2.870 0 40 DFAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)O)cc1 225729558 ZIEKIXJFXPUPIJ-MRXNPFEDSA-N 309.362 2.684 0 40 DFAB C[C@@H](CNC(=O)N[C@](C)(CO)C1CCCCC1)c1ccncc1 88608240 KIMGQFQPXUNJJL-KBXCAEBGSA-N 319.449 2.816 0 40 DFAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1ccccc1)CC2 96197770 ZHGQHTMDXQIFTB-SFHVURJKSA-N 311.429 2.946 0 40 DFAB COC[C@@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 96060272 LBLRKDNVYDPLBH-HNNXBMFYSA-N 315.417 2.940 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nccc(C(F)(F)F)n2)n1 96469050 SEUPYIKYUQWUOQ-SSDOTTSWSA-N 316.308 2.740 0 40 DFAB Cc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)no1 95420854 ZRGLYPWWVJFYRZ-LBPRGKRZSA-N 301.346 2.790 0 40 DFAB CC[C@@](C)(NC(=O)Nc1ccc(OC)nc1)c1nccs1 96417591 ZJDMYNXRCNZPME-CQSZACIVSA-N 306.391 2.994 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCOc2ccccc21 96445860 JSNBMUGAIMDUCG-BBRMVZONSA-N 315.344 2.542 0 40 DFAB C/C=C/C=C/C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC 96454765 AMSUSXTVGCAROD-ZIRGRKGMSA-N 302.374 2.858 0 40 DFAB C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)CC1CCOCC1 96428046 ZLRUOUWICZWFDH-YOEHRIQHSA-N 323.458 2.621 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(F)c(F)c1F)CC(=O)O2 95474663 UWRJXDZQISMWBB-MRVPVSSYSA-N 309.243 2.542 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2ccnn2C1 96188927 NSYLSAMWVUQMIF-CQSZACIVSA-N 305.447 2.922 0 40 DFAB C[C@H](C(=O)N[C@H]1CCCOC1)c1ccc(Br)s1 96430933 MAGWOWVRUYPEHO-IUCAKERBSA-N 318.236 2.909 0 40 DFAB CCc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 242538764 JFKFYIUGODNXAZ-SQNIBIBYSA-N 315.438 2.824 0 40 DFAB O=C(N[C@H](C1CCCC1)C(F)(F)F)N1[C@H]2CC[C@H]1CC(O)C2 249490026 ZGHNNPGSKZNLGL-GMXVVIOVSA-N 320.355 2.805 0 40 DFAB Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3cncs3)C2)n1 257299438 RQBZMHALXGKVHQ-CYBMUJFWSA-N 302.447 2.902 0 40 DFAB O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cccs1 257249551 JIWQBIBJNHYUNM-LBPRGKRZSA-N 303.387 2.710 0 40 DFAB COc1cccc(CCNCc2cn(C)nc2C(F)(F)F)c1 256054783 XTDXNPCSKJWSBK-UHFFFAOYSA-N 313.323 2.780 0 40 DFAB O=C(c1ccccc1F)N1CCCN(C2CCSCC2)CC1 92899511 DMCLAGUDYJUCRJ-UHFFFAOYSA-N 322.449 2.869 0 40 DFAB CCOc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(CC)C1 53346784 SSWHYADHJZIUCR-SNVBAGLBSA-N 310.781 2.546 0 40 DFAB O=C(NC[C@H]1COCCO1)c1ccccc1Nc1ccccc1 54616265 MOIPKRIFMWMGNR-HNNXBMFYSA-N 312.369 2.575 0 40 DFAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nc[nH]n1 69513185 CQPDOHUNOUSFFP-UHFFFAOYSA-N 317.736 2.510 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(C)o2)c1C 69723673 QETFZGOEGYQIEE-SNVBAGLBSA-N 304.346 2.811 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)c(F)c1 78899996 JVACMEQEQICTNW-UHFFFAOYSA-N 323.345 2.562 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)c1 95405908 YMCNKEZKHSRHAW-HUUCEWRRSA-N 317.433 2.661 0 40 DFAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(F)cc1 315315 OUOVFQWVKRCJPM-QPEQYQDCSA-N 311.268 2.899 0 40 DFAB COC(=O)C1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 13669207 VVGHSLXNJDVGMW-LBPRGKRZSA-N 307.415 2.579 0 40 DFAB CCCCNC(=O)NC/C(Br)=C\Br 17002942 FHYVUVYLRMIPLB-FNORWQNLSA-N 314.021 2.717 0 40 DFAB Cc1cc2c(c(Cl)n1)C(=O)N(Cc1cccc(F)c1)C2=O 165965 KKGAMWNSQSKGOQ-UHFFFAOYSA-N 304.708 2.979 0 40 DFAB O=S(=O)(CCn1cnc(Cl)c1Cl)c1ccc(F)cc1 161619 GPXKDQPLRNOCRE-UHFFFAOYSA-N 323.176 2.803 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 19372011 YTMIZHUBHPOWNY-OAHLLOKOSA-N 307.357 2.864 0 40 DFAB O=C(NCc1cccs1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827417 GZBQZKUGHCELQT-ZDUSSCGKSA-N 320.418 2.835 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2C[C@H]2C)cc1 7132087 CWNQGEROJLCCNH-RISCZKNCSA-N 303.358 2.807 0 40 DFAB Cc1cnn(CC2CN(C(=O)CCc3cccc(Cl)c3)C2)c1 1848742029 GXVPPFPOYXCABV-UHFFFAOYSA-N 317.820 2.936 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CC(Cn2cc(Cl)cn2)C1 1848820858 MJWQZKJWWPMKLC-UHFFFAOYSA-N 314.776 2.790 0 40 DFAB Cc1ccc([C@H](NC(=O)CN2CCSC2=O)C2CC2)cc1 24869604 ZJOCCYSCSWMREU-HNNXBMFYSA-N 304.415 2.731 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2n[nH]cc2Br)cc1 28236652 SYNHAIAFBBPAPA-QMMMGPOBSA-N 324.178 2.672 0 40 DFAB Cc1ccccc1OCC(=O)NC[C@](C)(O)Cc1ccsc1 618257495 XTTSFTOIXHITKG-QGZVFWFLSA-N 319.426 2.545 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c1 21802200 VZZWQVHQJILVAN-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 30029052 QOZMHLFZRAAVGV-GOSISDBHSA-N 312.388 2.884 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC(F)(F)F)cc1 100147888 BQXDISRMDRICIN-WTTBSCSTSA-N 323.270 2.897 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 40457526 JKYSJDKPEAWLOQ-AWEZNQCLSA-N 320.820 2.815 0 40 DFAB O=C(CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc2cccnc12 100794192 LEYMVMZDHNLFJQ-QEJZJMRPSA-N 321.380 2.502 0 40 DFAB C[C@@]1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1(Cl)Cl 31954381 SMAGNVBQZBWHPT-NSHDSACASA-N 321.591 2.961 0 40 DFAB CCCC1=NN(C(=O)c2cocc2C)[C@](O)(C(F)(F)F)C1 302707 VTPBLKLHOYNSKD-GFCCVEGCSA-N 304.268 2.841 0 40 DFAB Cc1nnc(NC(=O)CCc2nc(-c3cccs3)no2)s1 36873704 QZPVGUBJSBSVDT-UHFFFAOYSA-N 321.387 2.529 0 40 DFAB O=C(CCc1ccc(O)c(Cl)c1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 102174504 AGSCGBBKWGCYNU-NEULZYRMSA-N 323.820 2.501 0 40 DFAB C[C@H](NC(=O)c1cccs1)C(=O)NCCC1=CCCCC1 32869647 ZDKFTBQAGQOXLZ-LBPRGKRZSA-N 306.431 2.873 0 40 DFAB CCCc1nnc(SCC(=O)Nc2cccc(C(C)=O)c2)o1 4943077 HRBUELANHSGKFX-UHFFFAOYSA-N 319.386 2.956 0 40 DFAB CCCOc1ccc(C(=O)Oc2cccc(-n3cnnn3)c2)cc1 21798396 NUCZHYKYCOWADA-UHFFFAOYSA-N 324.340 2.670 0 40 DFAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccco1 8496667 KPEGEXHNCIYWBI-UHFFFAOYSA-N 302.359 2.953 0 40 DFAB COCCn1c(SCc2nnc(C)o2)nc2ccccc21 8710120 JYTXZQCQVATNAH-UHFFFAOYSA-N 304.375 2.666 0 40 DFAB CC(C)c1noc([C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)n1 46815110 WOTWPCMOWOTQQR-SNVBAGLBSA-N 324.406 2.738 0 40 DFAB CCN(CC(=O)Nc1ccccc1C(N)=O)c1cccc(C)c1 58154671 UIIYQVPUFOIEHL-UHFFFAOYSA-N 311.385 2.559 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103488109 XDKQZASWFPKWLP-VXAPYIKBSA-N 321.442 2.992 0 40 DFAB O=S(=O)(Nc1ccc(F)cn1)c1ccc(Cl)cc1F 69675931 VZIZHTGJCYCWDP-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccccc2)CC1 24002027 NMTWBHZCDGULQI-UHFFFAOYSA-N 320.396 2.521 0 40 DFAB CN1CCc2cc(NC(=O)c3ccc(-n4ccnc4)nc3)ccc21 69619411 RDXJJQGSTHVHEI-UHFFFAOYSA-N 319.368 2.512 0 40 DFAB CCC(CC)C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 57287098 VFJABMCJYFOYTC-NSHDSACASA-N 312.435 2.672 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 1887431 QUHPVLNAMJWDMN-MRXNPFEDSA-N 309.321 2.609 0 40 DFAB O=C(NCc1ccc(Oc2ccccc2)nc1)Nc1cn[nH]c1 58191127 SCSZSLQIUGMAMB-UHFFFAOYSA-N 309.329 2.919 0 40 DFAB CC1CCC(NS(=O)(=O)CCn2cnc3ccccc32)CC1 10237807 SXVMAQZQQWJCOJ-UHFFFAOYSA-N 321.446 2.534 0 40 DFAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)c1cccs1 44950475 UWIWLKIGNOOJQP-LLVKDONJSA-N 304.419 2.770 0 40 DFAB COc1cc(CNC(=O)N(C)[C@@H]2CCc3ccccc32)ccn1 45494634 JSNJPFHGIYBCSH-MRXNPFEDSA-N 311.385 2.919 0 40 DFAB CCOc1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 3472625 NNQHTNKTSYPLPM-UHFFFAOYSA-N 323.352 2.585 0 40 DFAB COc1ccc([C@@H]2[C@H](COC(=O)c3ccon3)CCN2C)cc1 110616495 OPLHBQDOKFOVNN-XJKSGUPXSA-N 316.357 2.533 0 40 DFAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 18207706 JXYRPQBPMGGJIU-LLVKDONJSA-N 308.809 2.765 0 40 DFAB Cc1cn2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc2n1 65489539 XTMHKBMJLBHMQF-UHFFFAOYSA-N 318.336 2.737 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](n2cccn2)C1 65608032 SZUNPJSYSHTZIP-MRXNPFEDSA-N 309.369 2.523 0 40 DFAB CC(C)n1cnnc1SCC(=O)Nc1ccc(F)cc1F 5417506 KMEWAKJFVYHCCW-UHFFFAOYSA-N 312.345 2.868 0 40 DFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nccs1 5685423 WDRZJFAECOUKDZ-JTQLQIEISA-N 305.384 2.585 0 40 DFAB CCOC(=O)c1[nH]c2ccccc2c1I 63110807 BZVJUWYDEMOJMH-UHFFFAOYSA-N 315.110 2.949 0 40 DFAB COCCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 16942569 CHEAPRXJUXDVEL-UHFFFAOYSA-N 317.780 2.917 0 40 DFAB c1cnc(Oc2ccc(CN3CC[C@@]4(CCOC4)C3)cc2)cn1 93820699 BEQLBVUVTRLPDB-GOSISDBHSA-N 311.385 2.881 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)N(CC(F)F)C2CC2)c1 71883501 OIRMZEHSPLTZBB-UHFFFAOYSA-N 300.280 2.654 0 40 DFAB Cc1ccccc1C1CCN(C(=O)CCCCNC(N)=O)CC1 71883371 SDEBVGSDOWZEHG-UHFFFAOYSA-N 317.433 2.540 0 40 DFAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccncc1 83967517 HXWBQPHFIQHJDT-LBPRGKRZSA-N 304.777 2.861 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1Cc1cccc2c1OCCO2 97082411 FZCVYAIFMQQNLA-GFCCVEGCSA-N 310.353 2.909 0 40 DFAB COCCn1ccc(N[C@H]2CSCCc3ccccc32)n1 97037783 JGFHWBFTBMLYED-HNNXBMFYSA-N 303.431 2.972 0 40 DFAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@@H]3CN)c12 97019539 GBDLKWRWCFDYRP-GFCCVEGCSA-N 316.405 2.608 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cncn3)C2)c1 72235050 NGMAKEAMIBZGGZ-YESZJQIVSA-N 310.401 2.554 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCSCC1 97147396 BIUYEBALZAMSDE-LLVKDONJSA-N 310.467 2.766 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@]1(C)CO 97165936 JRECJIPJGJAFTA-GUYCJALGSA-N 306.406 2.621 0 40 DFAB CNCC1CCN(Cc2ccc(OC)cc2OC(C)C)CC1 97162639 NIZBIGQGJMDUFZ-UHFFFAOYSA-N 306.450 2.914 0 40 DFAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CNCCO1 72371972 DYUGRAMEDHRCIM-GFCCVEGCSA-N 304.415 2.700 0 40 DFAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@@H]1CO 97230042 SLIZXJJKTGGYST-GFCCVEGCSA-N 306.749 2.592 0 40 DFAB O=C(N[C@H]1CCSc2ccc(F)cc21)N(CCO)C1CC1 84459415 LIESIXQFXXYMJH-ZDUSSCGKSA-N 310.394 2.529 0 40 DFAB C[C@@H]1CCCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 72552696 MFMNELPUKUVAAI-UKRRQHHQSA-N 306.410 2.716 0 40 DFAB COc1cccc(C2(C(=O)NCc3nc(C)no3)CCCC2)c1 78718385 LYBULBOWDQPLJW-UHFFFAOYSA-N 315.373 2.515 0 40 DFAB CCN(Cc1ccc(F)c(F)c1)C(=O)c1nccn2ccnc12 72882802 PRZHXWFWRWXLDA-UHFFFAOYSA-N 316.311 2.670 0 40 DFAB CC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)c1nc(C)n[nH]1 84613900 PPWISTDZKJZQCN-XHDPSFHLSA-N 316.405 2.883 0 40 DFAB Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 78895427 QWOWGJVAJMSLLA-YPMHNXCESA-N 309.479 2.672 0 40 DFAB C[C@@H]1CCCCN1C(=O)CNc1ccccc1N1CCCC1=O 95407372 AXDCJIUKYWAAIC-CQSZACIVSA-N 315.417 2.626 0 40 DFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(C)nn(C)c1OC 79022936 GNRFHNZHWOSVFX-CYBMUJFWSA-N 317.389 2.842 0 40 DFAB CCCc1noc(-c2nc(-c3ccc(OC)c(OC)c3)no2)n1 98212376 GQGJXDQBCKUCMY-UHFFFAOYSA-N 316.317 2.756 0 40 DFAB O=C(Nc1cnn(CC2CC2)c1)N1CCCC[C@H]1c1ncc[nH]1 88391828 CPWJPLLNVVMFCZ-AWEZNQCLSA-N 314.393 2.775 0 40 DFAB CC(C)[C@@H](CO)NCc1csc(-c2ccc3c(c2)OCO3)n1 95964100 OWHPKSKRNMVWEA-CYBMUJFWSA-N 320.414 2.645 0 40 DFAB CN1C(=O)C[C@@H](C(=O)NCc2ccsc2)c2ccccc21 95949277 NTJFQEZJDUOPSX-CYBMUJFWSA-N 300.383 2.515 0 40 DFAB CCc1nn(C)cc1CNc1nnc(Cc2cccc(F)c2)o1 95992317 XKWVWJZCSDLGCN-UHFFFAOYSA-N 315.352 2.708 0 40 DFAB O=S(=O)(Nc1ncccn1)c1ccc(Cl)c(Cl)c1 74931790 OARJNVFIHXTLJC-UHFFFAOYSA-N 304.158 2.584 0 40 DFAB Cc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)no1 86207880 FTQBUSZVNLHNFI-UHFFFAOYSA-N 306.753 2.770 0 40 DFAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCOCC1 20158711 FYJFZMJNJCSKTG-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB CCCc1noc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 29235794 VHAWQTICKONWIK-UHFFFAOYSA-N 305.334 2.527 0 40 DFAB Cc1nc(Cn2ccnc2[C@@H]2CNCc3ccccc32)cs1 306133228 MFXUJPBZBYFVJD-MRXNPFEDSA-N 310.426 2.931 0 40 DFAB CC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 306142934 XOPCKBVZGGBMTC-IBGZPJMESA-N 307.397 2.592 0 40 DFAB CNC1(c2nnnn2-c2ccccc2)C2CC3CC(C2)CC1C3 35606601 AWAUYWVWTAEFFB-UHFFFAOYSA-N 309.417 2.533 0 40 DFAB Cn1nccc1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 182767432 XMHWEIXRBRHMHK-NSHDSACASA-N 319.233 2.732 0 40 DFAB Cc1ccnc(N2CCN(Cc3ccccc3Cl)CC2)n1 152933256 XDXFBMZHQMJTBC-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB Nc1cc(-c2cccs2)nn1-c1nc(O)c2c(n1)CCCC2 38486277 LNWOSXWBOVDSDG-UHFFFAOYSA-N 313.386 2.557 0 40 DFAB CN(Cc1cnccn1)C(=O)c1ccccc1OC(F)(F)F 180235777 QGRVMYQJVKOSSA-UHFFFAOYSA-N 311.263 2.647 0 40 DFAB CCOCc1cccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c1 71195460 COMACHZPOGCUHM-ZDUSSCGKSA-N 320.414 2.658 0 40 DFAB O=C(NCc1ccccn1)Nc1cc2c(cc1Cl)OCO2 125616968 UKVUDDBWKCEWFQ-UHFFFAOYSA-N 305.721 2.785 0 40 DFAB COC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2Cl)C1 79091068 GEIRZBXIXWDBGQ-ZDUSSCGKSA-N 310.825 2.945 0 40 DFAB O=C(NCC1CCN(c2ccncc2)CC1)c1ccsc1 70928316 OTTCEZIIGFISLY-UHFFFAOYSA-N 301.415 2.790 0 40 DFAB Ic1ccc(CN2CCSCC2)cc1 79623429 QISCCKFLSHMFSA-UHFFFAOYSA-N 319.211 2.840 0 40 DFAB Cc1ccc(NC(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1 224188841 WBRLVDNZQBXSFA-UHFFFAOYSA-N 313.405 2.790 0 40 DFAB O=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl 42646011 XZIIGWZYVZFJEM-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB CCC[C@]1(COC)CCCN1C(=O)Nc1c(C)ccn(C)c1=O 194778834 IYEMNGHFIZFDGS-QGZVFWFLSA-N 321.421 2.507 0 40 DFAB COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c1 138469744 VHXZSYWVJJPRGM-MDBPOYHNSA-N 309.365 2.953 0 40 DFAB CCN(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 81612837 SVESSXOBJYIHEG-CZUORRHYSA-N 305.422 2.815 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cccnc2)cc1 225268971 RIFRBBUGFWVABU-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222897753 MNSCDBBMWVDKOB-CABCVRRESA-N 300.431 2.803 0 40 DFAB O=C(CCCn1cc(-c2ccccc2)cn1)N1CCSCC1 227165074 ZBLIMNALSREJKN-UHFFFAOYSA-N 315.442 2.906 0 40 DFAB COc1ccc([C@H](NC[C@]2(O)CCOC2)c2ccccc2)cc1 225561527 UIMRGRXCUSGSHF-RTBURBONSA-N 313.397 2.526 0 40 DFAB COC(=O)[C@@H](C)SCc1nnc(Cc2ccccc2C)o1 96471950 UUDXWDCAAGLEOP-LLVKDONJSA-N 306.387 2.764 0 40 DFAB CCC(=O)Nc1ccc(-c2csc(CS(C)(=O)=O)n2)cc1 96417553 WYRWGMIASONRST-UHFFFAOYSA-N 324.427 2.703 0 40 DFAB c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)c1 96107753 DBWJRKARIMVWLI-SJORKVTESA-N 316.426 2.956 0 40 DFAB O=C(c1ccc(F)c(F)c1F)N1CCC(NCC2CC2)CC1 96482557 KINZKSDPNKCDNJ-UHFFFAOYSA-N 312.335 2.708 0 40 DFAB CCOC(=O)C[C@@H](C)Sc1ncc(Br)cn1 96406557 DGLGCBXUJUGJEH-SSDOTTSWSA-N 305.197 2.673 0 40 DFAB CC[C@H](NS(=O)(=O)C1CCOCC1)c1cc(F)ccc1F 96419802 CYZVMHPKPIJMLF-AWEZNQCLSA-N 319.373 2.514 0 40 DFAB CCCCc1nc(CN2CCCC[C@@H]2c2ccnc(N)n2)c[nH]1 257262782 LMWSAKSGWFRRHZ-OAHLLOKOSA-N 314.437 2.852 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 257246039 ISEGPRPHUJCCLP-CQSZACIVSA-N 305.422 2.509 0 40 DFAB O=C(NCc1ccnnc1)c1ccnc(Cc2ccc(F)cc2)c1 257325667 WTXWZRYPVLXKEQ-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB CNc1cncc([C@H]2CCCN2Cc2nccn2C(C)C)n1 257305109 SOLZZTBTKWRKGT-CQSZACIVSA-N 300.410 2.633 0 40 DFAB CCc1oc2ccccc2c1CC(=O)NCCc1ncc(C)cn1 528912243 BOANDCMFTFUNHZ-UHFFFAOYSA-N 323.396 2.995 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1F 257206204 BCIMCNXQKZEPAK-PBHICJAKSA-N 320.408 2.898 0 40 DFAB COc1cc(NC(=O)NCCC2(O)CCC2)ccc1OC(C)C 252484483 FXNBDNIYSABJKV-UHFFFAOYSA-N 322.405 2.909 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)n1 257248825 JFJWDULJRDPUOZ-ZDUSSCGKSA-N 319.355 2.945 0 40 DFAB COC(=O)CCC(=O)c1c(F)cc(Br)cc1F 575362295 FANKLDROWLDEAV-UHFFFAOYSA-N 307.090 2.863 0 40 DFAB c1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)co1 585105226 QVFCRBGOVUUOSE-MRXNPFEDSA-N 323.458 2.783 0 40 DFAB CSc1cc(C(=O)OCCOC(C)C)ccc1NC(C)=O 58210148 FSVYMTAXEDBZDA-UHFFFAOYSA-N 311.403 2.949 0 40 DFAB CC(C)=CC(=O)N1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 58365068 XGMCVVJVKKQXEY-LBPRGKRZSA-N 307.419 2.595 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@H]2c2cc(C)on2)cs1 55196252 TYQCADDZNUFCTG-ZDUSSCGKSA-N 305.403 2.908 0 40 DFAB CN(C[C@H](O)c1ccc(F)cc1)c1nccc(C(F)(F)F)n1 69568237 RRMXXKHOWBIQPG-NSHDSACASA-N 315.270 2.804 0 40 DFAB C[C@H](CC(=O)NCCC(=O)O)c1ccc(C(F)(F)F)cc1 95424252 HPTSKQWEJFQQAX-SECBINFHSA-N 303.280 2.790 0 40 DFAB CC[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1 95973995 QYIIVTHYUKUZIT-GFCCVEGCSA-N 315.373 2.785 0 40 DFAB COc1cccc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c1 5153371 RMZLHQOYAAHFRY-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB CCCCNC(=O)CSc1nnc(C)n1-c1cccc(C)c1 5357911 FUSSKYUFKXSPNB-UHFFFAOYSA-N 318.446 2.893 0 40 DFAB CCCc1cc(C(=O)N[C@@H](c2ccccc2)c2ccnn2C)[nH]n1 12147214 ZLCICOYTJUKGPE-KRWDZBQOSA-N 323.400 2.615 0 40 DFAB COc1ccc2nc(Cl)c([C@H]3CNN=C3C(C)=O)cc2c1 4285486 NSGSNRAYUDZLLI-GFCCVEGCSA-N 303.749 2.529 0 40 DFAB Cc1cccc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)c1 1068637882 DIBZTJFYTYSSTP-UHFFFAOYSA-N 324.428 2.834 0 40 DFAB CCn1cc(CNc2cc(C)nc3ccnn23)c(C(F)(F)F)n1 2086968344 RQVZYICOUHSCEZ-UHFFFAOYSA-N 324.310 2.885 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1 3078721 KVKAXUNZCSWGSV-KRWDZBQOSA-N 317.410 2.757 0 40 DFAB Cc1nc2c(SCC(N)=O)nnc(-c3ccccc3)c2s1 12232777 VRZUMDYCBCEMLN-UHFFFAOYSA-N 316.411 2.639 0 40 DFAB Cc1cc(NC(=O)Cc2cc(-c3ccccc3F)on2)no1 23127218 LXXQOJRHDARNJN-UHFFFAOYSA-N 301.277 2.958 0 40 DFAB C[C@H](Sc1nc2ncccn2n1)C(=O)c1c[nH]c2ccccc12 10074443 OWJSMGLIFGMXJM-JTQLQIEISA-N 323.381 2.969 0 40 DFAB CCCN(CCC)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 40527028 ZRNWWLXEUZTRQX-UHFFFAOYSA-N 302.382 2.625 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc3c(c2)CCO3)n1 40541196 WTHSHTXPQKLHEP-LBPRGKRZSA-N 313.401 2.501 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@]12CC[C@H](C1)C(C)(C)C2=O 468174 PHQYPEMOAWCWFR-ADLMAVQZSA-N 315.369 2.807 0 40 DFAB CCn1cc(Br)cc1C(=O)Nc1nccs1 36858071 FDUUWLLAQYEHKR-UHFFFAOYSA-N 300.181 2.979 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 45948904 OIUQPJMHZODAHJ-VIFPVBQESA-N 306.749 2.758 0 40 DFAB CCOc1ccc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 809710 DXLHPLRUWFKRJO-ZDUSSCGKSA-N 324.764 2.540 0 40 DFAB O=C(Nc1ccccc1F)c1ccc(Cl)cc1-n1cnnn1 20744796 VASYOVWJEXPLGG-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CC(C)(C(=O)NCCCN1CC=CC1)c1cccc(Cl)c1 101421000 QPUCCRSCVORHER-UHFFFAOYSA-N 306.837 2.996 0 40 DFAB CCN1CCc2nc(NC(=O)c3cccc(OC)c3)sc2C1 20830182 OTDFYHHHEWKXGQ-UHFFFAOYSA-N 317.414 2.782 0 40 DFAB O=S(=O)(NCCc1cccs1)c1cccc(Cl)c1 21474967 FLJJGWIPVGFTLA-UHFFFAOYSA-N 301.820 2.923 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F 6729696 ADSJURQETKKVPA-DTVLGXAZSA-N 323.295 2.749 0 40 DFAB CN(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1 7504789 GDOOCEGGDVKXGE-UHFFFAOYSA-N 310.397 2.795 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](C)Cn2cccn2)nn1C(C)(C)C 52665240 HMLMLRZNSHWFNJ-CYBMUJFWSA-N 317.437 2.777 0 40 DFAB COc1ccc(CNC(=O)CCc2ccc3c(c2)OCO3)cc1 10754895 IMBYUYBHQHSTOO-UHFFFAOYSA-N 313.353 2.673 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)Nc2ccccc2)C[C@@H](C)O1 22460814 VMHCJTNEPCAVMQ-ZIAGYGMSSA-N 305.422 2.696 0 40 DFAB CCn1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)n1 28237401 CKNKDIYJMPFCER-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB O=C(c1ccc(NC2CC2)nc1)N1CCc2ccc(O)cc2C1 61621238 VCAPCQZURHGGAN-UHFFFAOYSA-N 309.369 2.560 0 40 DFAB COc1cccc(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 75520496 MHCDVSDZVAGAAK-KRWDZBQOSA-N 324.380 2.539 0 40 DFAB CCNC(=O)c1ccc(OCc2cccnc2)c(OCC)c1 23111272 IBPNFXYVAXEAHC-UHFFFAOYSA-N 300.358 2.809 0 40 DFAB CC(C)CCOc1ccc(C(=O)NCCNC(=O)C(C)C)cc1 23326454 LRGHWQQXJPSODY-UHFFFAOYSA-N 320.433 2.614 0 40 DFAB COc1cccc([C@H](CO)Nc2ncnc3ccc(F)cc23)c1 76063937 YEIMBINLLOIIQY-INIZCTEOSA-N 313.332 2.923 0 40 DFAB COc1ccc(-n2ccc(C(=O)Nc3cccnc3OC)n2)cc1 55283166 NGWHNFZMGAGCLZ-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB Cc1cccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)c1 108528806 VZMONWPZYNRMNV-UHFFFAOYSA-N 322.412 2.892 0 40 DFAB CC[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CCO1 55878206 WZORSHCJRWICLX-OAHLLOKOSA-N 319.792 2.777 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2ccc(OC)cc2OC)cn1 43644795 CXEWXGWUIZDNCH-LLVKDONJSA-N 318.377 2.803 0 40 DFAB C[C@H]1CN(CCNC(=O)Nc2cccc(Cl)c2)C[C@H](C)O1 26224985 VJFQBMGBSFBKME-RYUDHWBXSA-N 311.813 2.571 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(F)cc2)c1 3228437 QCXRUDPMQGBEKP-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB COc1ccc(OC)c(NC(=O)COC(=O)C2CCCCC2)c1 3275777 FSAFCNCPDZVPEX-UHFFFAOYSA-N 321.373 2.766 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2cc(F)ccc2F)c1 57472238 RMXKUPGWMZDYAX-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1ccc(CNC(=O)CN2CCc3sccc3C2)cc1 10093755 NVUZCUIDTOXKDI-UHFFFAOYSA-N 300.427 2.731 0 40 DFAB CC(=O)Nc1ccc(F)c(NC(=O)CC(C)(C)CC(=O)O)c1 44830419 XNQJZNJYBPUHFK-UHFFFAOYSA-N 310.325 2.614 0 40 DFAB COc1cccc(C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)c1 12648641 XFNSPQTTYJTYEQ-CYBMUJFWSA-N 323.389 2.805 0 40 DFAB COCc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1 67889867 BLALZRQLVDWYRX-DOMZBBRYSA-N 306.406 2.695 0 40 DFAB biogenic,in-vitro Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 58299402 KQLMEPBOAHKRFU-NEPJUHHUSA-N 320.190 2.925 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc2c1CCCC2 44974076 XFZXTHACNDAEQZ-LBPRGKRZSA-N 312.369 2.915 0 40 DFAB Cc1cc(NCc2cccc(OCC(F)F)c2)n2ncnc2n1 58356876 FZQUALMBWUIUMM-UHFFFAOYSA-N 319.315 2.689 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)NO[C@H]1CCCCO1 58416207 XKKKROCNDNLYMS-HNNXBMFYSA-N 304.321 2.870 0 40 DFAB CSCC[C@H](Nc1ncnc2c1oc1ccccc12)C(=O)O 2294252 KTIANZQLGPIGIM-JTQLQIEISA-N 317.370 2.994 0 40 DFAB O=C(COC(=O)c1ccc(Cl)nc1)NC1CCCCCC1 3314726 KRPVJPOBCFJVRN-UHFFFAOYSA-N 310.781 2.731 0 40 DFAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)N1CCC(C)CC1 3349055 IUDACORPCLOXSQ-CYBMUJFWSA-N 304.390 2.671 0 40 DFAB O=C(NCCCCN1CCOCC1)c1cc2ccccc2s1 48285008 IAPACVSYSHGYEO-UHFFFAOYSA-N 318.442 2.744 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NC1CCCCC1 3433244 GRTXPQMQHBALKK-DHZHZOJOSA-N 305.349 2.831 0 40 DFAB O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCCC1 3803447 RQDZEMWKEQRMCW-INIZCTEOSA-N 316.401 2.800 0 40 DFAB CN1CCC(NC(=S)N2CCC[C@@H]2c2cccs2)CC1 63144456 KSZLOXMLACPEQS-CYBMUJFWSA-N 309.504 2.854 0 40 DFAB CCCN1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1 13324212 OHFMGKHFYIBXNS-UHFFFAOYSA-N 311.813 2.908 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91758112 DUKAPNGBYQAKIR-ABAIWWIYSA-N 306.312 2.549 0 40 DFAB C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CCO1 49340074 UOJFJMWIRAFUCV-NXEZZACHSA-N 300.761 2.970 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1Cn1cccn1 69971322 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DFAB CCc1nc([C@H]2CCCN2c2ncc(Br)cn2)no1 72273517 AEFHBXCGAVZLBV-SECBINFHSA-N 324.182 2.526 0 40 DFAB Cc1cc(CNc2nnc(C(F)F)s2)ccc1-n1cncn1 97115610 IFSOEKJBDJUXPB-UHFFFAOYSA-N 322.344 2.977 0 40 DFAB Cc1cc([C@@H]2CCCN2Cc2nc3ccccc3n(C)c2=O)no1 97201378 XAYCXWNCTGJEGQ-KRWDZBQOSA-N 324.384 2.567 0 40 DFAB Cn1ccnc1CNC(=O)Nc1cc(-c2ccccc2)ns1 84331632 SBIUVHFBRREMRO-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB CC(C)(C)n1ncc2c(N(C[C@H]3CCOC3)C3CC3)ncnc21 95944375 LKDFSPORJHPWMI-GFCCVEGCSA-N 315.421 2.587 0 40 DFAB O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@H](CO)C1 95976273 CNOYTWPWSBGSMC-LBPRGKRZSA-N 301.308 2.636 0 40 DFAB COC(=O)c1sccc1CN1CCCC[C@@H]1c1ncc[nH]1 89404196 HGXJKKHYIHUYMO-GFCCVEGCSA-N 305.403 2.985 0 40 DFAB C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC(O)CC1 89420064 LTABEUAHKIUQDY-VIFPVBQESA-N 317.216 2.777 0 40 DFAB O=C(NCc1nc[nH]n1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 89764335 VXVNJJOABNQBHQ-QWRGUYRKSA-N 311.172 2.531 0 40 DFAB O=c1cc(C2CCC2)ncn1Cc1nc(-c2cccs2)no1 89705498 FSWFTFFQMWVFAH-UHFFFAOYSA-N 314.370 2.671 0 40 DFAB FC(F)(F)[C@H]1CCc2nnc(CNC3CCCCC3)n2C1 89818462 VWOQLJDQEUTIQN-JTQLQIEISA-N 302.344 2.825 0 40 DFAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccccn3)n2)cc1 408582663 OQHFFJFYDNEFCF-UHFFFAOYSA-N 312.354 2.857 0 40 DFAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 78234671 QHGMMYWZZPQSIV-UHFFFAOYSA-N 322.361 2.609 0 40 DFAB CS(=O)(=O)N1CCC[C@H](c2ccc(NC3CCCC3)cn2)C1 72364695 SETDTRFNQMKIDF-ZDUSSCGKSA-N 323.462 2.575 0 40 DFAB CCc1nc(CNC(=O)NC[C@H](OC)c2ccccc2)cs1 78663515 GLXTZXQKJIABQV-AWEZNQCLSA-N 319.430 2.892 0 40 DFAB CCc1nnc2n1N=Cc1cc3cc(OC)ccc3nc1S2 72414083 ZYCKLVCWTOBKAB-UHFFFAOYSA-N 311.370 2.744 0 40 DFAB CCN(CCC(F)(F)F)S(=O)(=O)c1c[nH]c2ncccc12 79354744 RZMIRSOMHWHMDX-UHFFFAOYSA-N 321.324 2.526 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218361691 BVBAJLBCSCBTQJ-HRCADAONSA-N 316.378 2.636 0 40 DFAB NNc1nc2c(Cl)c3sc(NN)nc3c(Cl)c2s1 72228979 FBQJBEJZVYEJKJ-UHFFFAOYSA-N 321.218 2.784 0 40 DFAB COC(=O)CCC(=O)NC(c1cccs1)c1cccs1 78188932 SARPHFYVIRBJEO-UHFFFAOYSA-N 309.412 2.968 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@@](O)(c1ccccc1)C1CC1 70966128 FAVDRAXSGWFZLQ-LJQANCHMSA-N 313.372 2.782 0 40 DFAB COC(=O)c1cc(S(=O)(=O)NCC2=CCCCC2)ccc1C 225101362 MEPWGIGJMOKSNN-UHFFFAOYSA-N 323.414 2.560 0 40 DFAB CCOC(=O)c1ccc(Nc2cc(N)nc(SC)n2)cc1 49467412 GYCKZOXFCMYCIO-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB Cc1n[nH]c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl 85389011 UZPDAJPPHSACNZ-UHFFFAOYSA-N 302.161 2.963 0 40 DFAB Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1CCc2ccccc2CC1 529609395 HXNCAIHEFYRNLC-QZTJIDSGSA-N 323.440 2.835 0 40 DFAB Cc1ncsc1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 192046700 WFTROYVQWYWIIR-DYVFJYSZSA-N 318.442 2.811 0 40 DFAB COC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc12 40268038 PXRQDOOQXVDDRJ-UHFFFAOYSA-N 322.364 2.592 0 40 DFAB COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c(C)c1 225925805 LGLQULIDTZXUJV-UHFFFAOYSA-N 316.401 2.591 0 40 DFAB Cc1nc(C(=O)OC[C@H]2CC(=O)N(c3ccccc3)C2)cs1 96416221 YYCUEJDWDKTENA-LBPRGKRZSA-N 316.382 2.661 0 40 DFAB NC(=O)CSCC(=O)N(Cc1ccccc1)C1CCCCC1 96411236 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Cn1cc(C(=O)N2CCC[C@@H](c3cnccn3)C2)c2ccccc21 257342675 ZPRCJVINQKVKIO-CQSZACIVSA-N 320.396 2.988 0 40 DFAB COc1ccc(NC(=O)c2cccnc2-c2cncn2C)cc1 257230097 GAUXCCUUMPQQLM-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB OCC1(NCCCCC2CCOCC2)Cc2ccccc2C1 252490198 KLSPXVHTHWGBTG-UHFFFAOYSA-N 303.446 2.703 0 40 DFAB CC(C)COC1CCN(Cc2nc(N)c3ccccc3n2)CC1 54325235 IJHZRQMHYYLVLR-UHFFFAOYSA-N 314.433 2.849 0 40 DFAB Cc1sc(=O)n(CC(=O)N2CCC[C@H]2c2cccs2)c1C 55161581 CRVWFMIJAFUGDX-LBPRGKRZSA-N 322.455 2.952 0 40 DFAB COC(=O)c1cc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)oc1C 58323893 MXFKSOITPQGTES-ZDUSSCGKSA-N 320.732 2.882 0 40 DFAB O=C(NCc1ccncc1)NC[C@@H](O)c1ccc2ccccc2c1 67580588 IUIAFPKGSJTOTM-GOSISDBHSA-N 321.380 2.768 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H](COCc1ccccc1)C(=O)O 90136130 GEKRSZPFMBQNCM-CYBMUJFWSA-N 309.362 2.523 0 40 DFAB Cc1cccc(NC(=O)N2CCN(c3cccs3)CC2)n1 97109194 PRAQWYUOMZJIHW-UHFFFAOYSA-N 302.403 2.806 0 40 DFAB Cc1cnc(N2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 194319224 DURKSABNJIRRNN-LLVKDONJSA-N 321.222 2.880 0 40 DFAB CC(C)[C@H](C)NS(=O)(=O)Cc1cccc(Br)c1 225231008 JZFWCDVAMLAIQD-JTQLQIEISA-N 320.252 2.913 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5670820 XUKVLLMZTCYHIQ-HTEOGMQZSA-N 309.724 2.941 0 40 DFAB O=C(O)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 5684585 XRLMZQGGWGSOIB-ZDUSSCGKSA-N 312.354 2.580 0 40 DFAB O=C(Cn1c([C@@H]2CCCO2)cc2cccnc21)NC1CCCC1 12085260 LITMMJPOCVECQU-INIZCTEOSA-N 313.401 2.947 0 40 DFAB CCOC(=O)N1CCC(NC(=O)Nc2ccccc2F)CC1 14244920 OQDNOAYNHLHIRV-UHFFFAOYSA-N 309.341 2.568 0 40 DFAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(O)cc(O)n1 16385474 JUCUGLNXZNSXQV-UHFFFAOYSA-N 315.116 2.839 0 40 DFAB CCN(CC)c1ccc(N=c2c(=O)c3ccccc3c2=O)cc1 16678539 GFBBMHAUQJJHQE-UHFFFAOYSA-N 306.365 2.514 0 40 DFAB O=C(NC1CCCCCC1)c1cnc(-c2ccccc2)[nH]c1=O 19937179 ZRZFRJUPKGHLDY-UHFFFAOYSA-N 311.385 2.890 0 40 DFAB CC(=O)Oc1c(C)s/c(=N\c2ccc(F)cc2)n1C(C)=O 5375704 FENFVEBFGLOIPT-PEZBUJJGSA-N 308.334 2.815 0 40 DFAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)C2CCOCC2)C1 575605859 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CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(OC)cc1 8518279 AQHVKEZEZBRVOY-AWEZNQCLSA-N 324.402 2.730 0 40 DFAB CC(C)n1cnnc1CNC(=O)C1(c2cccc(F)c2)CCC1 69777037 LFOTVLVUNQATJS-UHFFFAOYSA-N 316.380 2.736 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1coc(-c2cccs2)n1 102793425 SOJDJNPYBAFIMN-VXGBXAGGSA-N 314.366 2.854 0 40 DFAB CCOC(=O)N1CCC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 58493646 UBBDROKFDQQUNC-LSDHHAIUSA-N 322.449 2.962 0 40 DFAB CCCN1CCC(NC(=S)NCCc2ccccc2)CC1 2781776 ZVIXQHUYAKMELU-UHFFFAOYSA-N 305.491 2.568 0 40 DFAB O=C(Cc1csc(-c2ccco2)n1)N1CCO[C@@H]2CCC[C@@H]21 53384243 UVILYEFLTRZCCG-QWHCGFSZSA-N 318.398 2.726 0 40 DFAB C[C@]1(c2cccs2)NC(=O)N(CCOc2ccccc2)C1=O 53863890 WKPWXWSNCRZUJP-MRXNPFEDSA-N 316.382 2.594 0 40 DFAB Fc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1 850683 JHMPCFOPNOUJBA-UHFFFAOYSA-N 314.324 2.886 0 40 DFAB Cc1cnc(NC(=O)CNC(=O)c2cc3ccccc3o2)s1 12408104 DVGKQBRTTBSQCA-UHFFFAOYSA-N 315.354 2.566 0 40 DFAB Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 25271385 MJBDEEAWABEXNQ-UHFFFAOYSA-N 323.396 2.881 0 40 DFAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)CNc1cccc(F)c1 106913926 GFRLDBDYIDUFPJ-KFWWJZLASA-N 321.440 2.720 0 40 DFAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 57267790 WZVAUPMHWGAJAO-LBPRGKRZSA-N 320.414 2.695 0 40 DFAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1C 12526179 HMJZCEOWWDGXMA-UHFFFAOYSA-N 307.419 2.763 0 40 DFAB O[C@H](CCNc1ncnc2cc(F)c(F)cc12)C(F)(F)F 76063028 LOLZLDXFZHNPAY-SNVBAGLBSA-N 307.222 2.633 0 40 DFAB O=C1NC=CN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1 35788592 QBWLJRNILMPTFW-QGZVFWFLSA-N 322.364 2.838 0 40 DFAB Cc1nc(CNCc2c(C(C)C)nn(C)c2N(C)C)cs1 58393598 CIXCCZGCDRXRCM-UHFFFAOYSA-N 307.467 2.664 0 40 DFAB Cc1[nH]ccc(=O)c1OCC(=O)Nc1ccc(C(C)C)cc1 36274365 GXFWCFLWFXJYCX-UHFFFAOYSA-N 300.358 2.824 0 40 DFAB COc1cccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)c1 3399264 WSIOKYHXIWVACY-UHFFFAOYSA-N 313.231 2.920 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N(C)Cc2ccccc2)c1 45690030 CYFKHBXQVOJPMY-UHFFFAOYSA-N 322.372 2.635 0 40 DFAB Cc1ncc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)s1 69615419 FXCUELNVDHLURV-CQSZACIVSA-N 302.399 2.883 0 40 DFAB CN(CCc1ccccn1)C(=O)[C@@H]1CCCN1Cc1ccccc1 63682677 QOOYLPDRRAZFBI-IBGZPJMESA-N 323.440 2.747 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)o1 6028940 ISQKOXINOZMTDW-NSHDSACASA-N 301.327 2.626 0 40 DFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2)cc1 5076825 FDVGEINQVHRGAJ-NSHDSACASA-N 300.310 2.829 0 40 DFAB CC(C)N(CC(N)=O)C(=O)c1cc2c(s1)CCCCCC2 70688964 FBRPVTQCAJSWSZ-UHFFFAOYSA-N 308.447 2.743 0 40 DFAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(C)o2)cc1 8750125 FNHSJBXOELJEDB-UHFFFAOYSA-N 300.358 2.748 0 40 DFAB c1ccc(-n2ncc3c(N4CCCSCC4)ncnc32)cc1 65411546 HDIHJEMPCYAVSQ-UHFFFAOYSA-N 311.414 2.759 0 40 DFAB O=C(OCc1nnc(-c2ccccc2)o1)c1cn2ccccc2n1 4485148 PRUMURANTVJUCB-UHFFFAOYSA-N 320.308 2.741 0 40 DFAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CCCC1 65592616 XHVGVNPSDWRUSO-UHFFFAOYSA-N 309.797 2.782 0 40 DFAB COC[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 65591815 HREGVIDQHCKYSM-ZDUSSCGKSA-N 306.410 2.571 0 40 DFAB COc1ccccc1NC(=O)C[C@@H](NC(C)=O)c1cccs1 8751035 JKMXTYHGSGOSEF-CYBMUJFWSA-N 318.398 2.963 0 40 DFAB CCc1sc(C(=O)OCC(=O)Nc2cc(C)on2)cc1C 6432398 RXFSYAYHGYZVEV-UHFFFAOYSA-N 308.359 2.711 0 40 DFAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1 14140022 OXDGOZNIYMCCER-UHFFFAOYSA-N 310.353 2.855 0 40 DFAB O=S(=O)(Nc1ccn(Cc2ccccc2)n1)c1cccs1 14231389 VUGPZXYKIINUQH-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB COc1ccc2c3c(c(=O)oc2c1O[C@H](C)C(=O)O)CCCC3 4749311 XTMFEMRCDOQBOR-SECBINFHSA-N 318.325 2.532 0 40 DFAB Cc1ccc(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 14784690 KNLQEPWIBVXTNF-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB CN(C)C(=O)COc1ncnc2sc(-c3ccccc3)cc12 6862131 GFGFBJOLVZXUIX-UHFFFAOYSA-N 313.382 2.825 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)Cc2cccs2)[C@@H]1C 4986282 DKWFPFNDOROYEL-YRGRVCCFSA-N 309.431 2.775 0 40 DFAB Cc1cncc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 80045373 VCVZZUUCKJKMQD-LSDHHAIUSA-N 306.431 2.517 0 40 DFAB CC(=O)Nc1ccc(CC(=O)NCCc2cccc(F)c2)cc1 7125275 PCPGFZVFIGSLRF-UHFFFAOYSA-N 314.360 2.686 0 40 DFAB C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cnn(C)c1 80150400 NDJAZXJDHICZIW-CYBMUJFWSA-N 322.478 2.942 0 40 DFAB Cc1c(C(=O)N(C)OCc2ccccc2)nnn1-c1ccccc1 84061099 GROJQWKIGYXHDB-UHFFFAOYSA-N 322.368 2.780 0 40 DFAB Cc1nc(S)sc1CC(=O)NCC[C@@H](O)c1ccccc1 81252781 VNZWKXHNFXCEIY-GFCCVEGCSA-N 322.455 2.523 0 40 DFAB C[C@H]1CN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C[C@@H](C)O1 96411461 TYCQPZRUAFNAFQ-XGUBFFRZSA-N 312.454 2.647 0 40 DFAB CCO[C@@H]1C[C@@H](NC[C@@H]2CC(=O)Nc3ccccc32)C1(C)C 96493439 XTYLLLAHHGSHGN-APHBMKBZSA-N 302.418 2.906 0 40 DFAB CCc1ccc([C@H](COC)NC(=O)[C@H]2COc3ccccc32)o1 96423292 GTTTWSIAEVTXMK-GJZGRUSLSA-N 315.369 2.822 0 40 DFAB COc1cccc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1 84195351 IZSDPYBNBVQRHE-OAHLLOKOSA-N 301.342 2.810 0 40 DFAB C[C@H](O)c1nc2ccccc2n1Cc1cccc2c1OCCO2 97082410 FZCVYAIFMQQNLA-LBPRGKRZSA-N 310.353 2.909 0 40 DFAB CCC(CC)(CNC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O 97036617 UWLGJQAOCJCWQJ-UHFFFAOYSA-N 320.364 2.857 0 40 DFAB CC[C@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1NS(C)(=O)=O 97079820 JONYLFMVBTZQAN-UWVGGRQHSA-N 316.398 2.818 0 40 DFAB Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Nc1cn[nH]c1 72278364 SZPRUGPUEDBWBD-UHFFFAOYSA-N 313.361 2.598 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CSc3ccccc31)C2 72287785 RVUQJNGQMPYWDU-JSGCOSHPSA-N 313.426 2.512 0 40 DFAB CCc1noc(CC)c1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 87433930 LIDFWUKYYOZXOJ-MRXNPFEDSA-N 318.348 2.558 0 40 DFAB CC[C@H]1CCC[C@@H](CN2CCC(C(=O)N3CCOCC3)CC2)C1 97108428 VPKAXKRUCRPZQK-DLBZAZTESA-N 322.493 2.774 0 40 DFAB CCn1ncc(N2C[C@@H](C)C[C@H](C)C2)c(Br)c1=O 28304821 FCBHPMYNGPHAMQ-UWVGGRQHSA-N 314.227 2.508 0 40 DFAB COc1cc(OC)c(-c2n[nH]c3c2C(=O)CCC3)cc1OC 72406226 MTDGUCVQUYPXDP-UHFFFAOYSA-N 302.330 2.622 0 40 DFAB CC[C@H](NCc1nccc(N)n1)c1nc(C(F)(F)F)cs1 97373952 HMEYILJOIQQXGK-ZETCQYMHSA-N 317.340 2.775 0 40 DFAB C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccccn1 95428040 MQYYPKBRFXWJAT-JTQLQIEISA-N 312.341 2.742 0 40 DFAB CCOCC(=O)N[C@@H](CC(=O)O)c1ccc(C(C)(C)C)cc1 95424714 WCQFBOOMPQLOTO-AWEZNQCLSA-N 307.390 2.653 0 40 DFAB O[C@H](CN[C@@H]1CCSC1)COc1cccc(C(F)(F)F)c1 95967448 DIGYWEMYLFAITA-VXGBXAGGSA-N 321.364 2.540 0 40 DFAB O[C@@H](CN[C@@H]1CCSC1)COc1cccc(C(F)(F)F)c1 95967449 DIGYWEMYLFAITA-NEPJUHHUSA-N 321.364 2.540 0 40 DFAB COc1ccc(CNCC2([C@H](C)CCO)CCC2)cc1OC 95988547 SIOCCDVVBPLYSI-CQSZACIVSA-N 307.434 2.982 0 40 DFAB CC[S@](=O)Cc1nc(-c2cc(Br)cs2)no1 89104592 AWRYFNQZTKBWCA-MRXNPFEDSA-N 321.221 2.829 0 40 DFAB Cc1nn(C)c(C)c1CCNc1nc2ccccc2cc1CO 89505842 AHQRSCMFPLGRAJ-UHFFFAOYSA-N 310.401 2.732 0 40 DFAB O=C(O)[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)c2c(F)cccc21 89800180 MARYFMTYMUJBGJ-GHMZBOCLSA-N 303.333 2.705 0 40 DFAB COC(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C)cc1 27333876 DXKUAFNMRJWUSX-IUODEOHRSA-N 304.390 2.851 0 40 DFAB CCN(CC)C1(Cc2cc(-c3cccc(O)c3)on2)COC1 67898288 LFAXABBKSNLPNM-UHFFFAOYSA-N 302.374 2.701 0 40 DFAB biogenic,in-vitro CSc1nnc(C)n1NC(=O)COc1ccc(C(C)C)cc1 33770869 QYPYTIVCMFPSQM-UHFFFAOYSA-N 320.418 2.581 0 40 DFAB CN(C(=O)OCc1ccccc1)[C@H](COC(C)(C)C)C(=O)O 2547573 WFGKFRZCVWGNAO-CYBMUJFWSA-N 309.362 2.523 0 40 DFAB biogenic CCOc1cc(CN2C[C@H]3CCCN3C[C@H]2C)ccc1OC 72324672 ZADMSJYGFAPUIZ-GDBMZVCRSA-N 304.434 2.762 0 40 DFAB O=C(Cc1ccsc1)N1CCn2c(-c3cccnc3)cnc2C1 306133679 MSOPMZWEWGHTLN-UHFFFAOYSA-N 324.409 2.592 0 40 DFAB Cc1cc(-c2ccc(C(=O)N3CCSCC3)s2)c[nH]c1=O 72260059 MKNXLQDUBFEPLH-UHFFFAOYSA-N 320.439 2.601 0 40 DFAB CC(=O)N1CC(F)(F)c2cc(I)ccc21 2362801560 VOLXKHCLCCGIKY-UHFFFAOYSA-N 323.080 2.750 0 40 DFAB CC[C@H](N[C@@H](C)c1nnnn1C1CCCCC1)[C@@H]1CCCO1 189936537 NBPKDRXBNNCDJD-QEJZJMRPSA-N 307.442 2.787 0 40 DFAB CC1(C)CCc2cc(CC(=O)Nc3nncs3)ccc2O1 79475110 LHRBYFOMKVOMJX-UHFFFAOYSA-N 303.387 2.823 0 40 DFAB COC[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 79051426 OKMGCZGHMGPHQN-OLZOCXBDSA-N 311.809 2.992 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc2nccnc2c1 71281511 OEBJBQCRKVQJSH-UHFFFAOYSA-N 307.309 2.509 0 40 DFAB COc1ccc([C@H](NCc2noc(C)n2)C2CCOCC2)cc1 225547934 XUBYHMXXJBNZLM-KRWDZBQOSA-N 317.389 2.644 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2nccs2)C1 195192143 YJBCBEQJVQKXHY-OAHLLOKOSA-N 311.451 2.880 0 40 DFAB CCCNC(=O)N(C)Cc1nc(-c2ccc(OCC)cc2)no1 225776233 TYMWCUQDQUWECS-UHFFFAOYSA-N 318.377 2.687 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2cccc(C=O)c2)C1 228910533 LGMKQYWDSJBJOT-AWEZNQCLSA-N 304.390 2.993 0 40 DFAB CSc1nn(C)c2nc3sc4c(c3c(=O)n12)CCCCC4 40287668 NVXRJWRUXNRPQR-UHFFFAOYSA-N 320.443 2.634 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCN(c3ccccc3)CC2)s1 41179646 NADZXJGTVLMZCM-UHFFFAOYSA-N 315.442 2.651 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223131200 OGMCLFRIHVOEBY-AWEZNQCLSA-N 304.434 2.771 0 40 DFAB CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@H]1C 226277642 PSSUJFIJIXBIFS-CYBMUJFWSA-N 314.389 2.823 0 40 DFAB CCOc1ccc(-c2noc(CNC(=O)C3CCCC3)n2)cc1 223116169 VJIRUIFVPXCJGF-UHFFFAOYSA-N 315.373 2.942 0 40 DFAB CC(C)NCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 193526859 TZYPLWQAUDXOQG-CABCVRRESA-N 300.805 2.897 0 40 DFAB CCO[C@@H](C)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 193504692 DCHGGQIBBCRTHN-NSHDSACASA-N 313.344 2.760 0 40 DFAB CC(C)[C@@H]1CN(C(=O)COC[C@H]2CCCO2)c2ccccc2N1 81794531 VHHWZYSXVKVTCA-ZBFHGGJFSA-N 318.417 2.665 0 40 DFAB CS(=O)(=O)CCCCSc1nccn1-c1ccccc1 97227845 QNFXTAUQUHHZCN-UHFFFAOYSA-N 310.444 2.789 0 40 DFAB CN(Cc1cccnc1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 97096225 NPPCVRMHCIZXIS-UHFFFAOYSA-N 322.372 2.541 0 40 DFAB CC[C@H](N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cnn(C)c1 97228431 JDJIUEAZCARCBV-IMJJTQAJSA-N 306.454 2.544 0 40 DFAB COCc1csc(NC(=O)N(C)Cc2c(C)noc2C)n1 96435556 HJUHSHFJEOSOIL-UHFFFAOYSA-N 310.379 2.558 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccn1 245316695 KEEWIKIKQXTMJF-BVUBDWEXSA-N 317.433 2.891 0 40 DFAB CC(C)C(=O)N1CCOC[C@@H](Cc2ccc3c(ccn3C)c2)C1 257233706 GQIPOERHRQMMRO-INIZCTEOSA-N 314.429 2.852 0 40 DFAB FC(F)(F)c1ccnc(NC2CCC3(CC2)OCCO3)n1 52405031 MLGGUCNIDDGGET-UHFFFAOYSA-N 303.284 2.593 0 40 DFAB O=C(N[C@H]1CCn2nccc2C1)c1cc(Cl)sc1Cl 253473650 WXYPWMMOYWXPQR-ZETCQYMHSA-N 316.213 2.996 0 40 DFAB O=C(Cc1cccs1)NCc1cnc([C@H]2CCCCO2)nc1 257217212 CYAUHHLCCQLJLZ-CQSZACIVSA-N 317.414 2.639 0 40 DFAB Cc1nccc([C@H]2CCCN(c3ccc4nccnc4n3)C2)n1 584906852 KJOHSJLMUHFCLP-ZDUSSCGKSA-N 306.373 2.507 0 40 DFAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccsc1)c1ccoc1 48234157 MHBCVEHMDZWUQF-CQSZACIVSA-N 318.398 2.825 0 40 DFAB C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 58331210 TWSJPMNFLIULHB-SECBINFHSA-N 314.320 2.878 0 40 DFAB CN(Cc1ccccc1F)C(=O)CN1CCc2sccc2C1 58542468 ZAXGJHBPZGRNKK-UHFFFAOYSA-N 318.417 2.904 0 40 DFAB CCONC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 58520934 LMSSJSWKJPOBEB-UHFFFAOYSA-N 311.744 2.714 0 40 DFAB Cc1ccc(C2(CNC(=O)Nc3cn[nH]c3)CCOCC2)cc1 69031906 DSLHMYSYQZJFQB-UHFFFAOYSA-N 314.389 2.588 0 40 DFAB CC[C@@H](C)NC(=O)CCNCc1ccc(SC)c(OC)c1 69159863 IODGDXCEFGTIHI-GFCCVEGCSA-N 310.463 2.812 0 40 DFAB COc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 69488235 FMRRYWKWENCEPO-UHFFFAOYSA-N 322.368 2.782 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCC[C@@H](n2ccnc2)C1 69662132 SFHVZSWRGSWHQI-GFCCVEGCSA-N 302.403 2.694 0 40 DFAB Cc1csc(-c2ccc(NC(=O)N3CCOCC3)cc2)n1 69874278 TZBCWCFMQRGWIE-UHFFFAOYSA-N 303.387 2.983 0 40 DFAB CCCS(=O)(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 98014179 PGADOZZISPJKJF-HZPDHXFCSA-N 311.447 2.792 0 40 DFAB CCOc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)cc1OCC 147564 ZPHJUWQNQNHUHX-TUPIDYKKSA-N 319.401 2.792 0 40 DFAB O=[S@@](Nc1ccccc1)c1ccc(N2CCOCC2)cc1 5536767 DLLUSKNUQYXCID-NRFANRHFSA-N 302.399 2.658 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1=O 13518838 KWNZVABICVIOKB-FMKPAKJESA-N 314.429 2.852 0 40 DFAB COc1cccc(CNC[C@@H](C)O)c1OCc1ccccc1F 8535105 CCMZYPFTPUFFDB-CYBMUJFWSA-N 319.376 2.884 0 40 DFAB CC(C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 36350713 COKRYEDOMOEVIB-UHFFFAOYSA-N 310.397 2.780 0 40 DFAB CC[C@H](C(=O)N1CC(OCC(F)(F)F)C1)c1ccccc1 390828218 AJAFFMGIEBVFKQ-ZDUSSCGKSA-N 301.308 2.970 0 40 DFAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCSCC1 1889136271 KPBQZMFSIOQGSV-HNNXBMFYSA-N 322.449 2.613 0 40 DFAB Cc1nc(CCN2C(=O)c3ccccc3C2=O)sc1Cl 15079913 IDFQGENOTRPLFD-UHFFFAOYSA-N 306.774 2.944 0 40 DFAB C[C@@H](CNc1ncnc2ccsc12)N1C[C@@H](C)O[C@H](C)C1 25501463 BQXHXBYHSLZQQM-QJPTWQEYSA-N 306.435 2.601 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C[C@@H](C)O1 40292420 HTNXQQMSWWRTNJ-HTQZYQBOSA-N 303.189 2.825 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 10326951 NYJLTRULRXWHPK-UHFFFAOYSA-N 300.280 2.703 0 40 DFAB O=C(c1cc(Cl)ccn1)N1CCN(Cc2ccsc2)CC1 28317484 DYWQGLYVXARQLA-UHFFFAOYSA-N 321.833 2.755 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccccn1 40467544 TVIAXUZNERKACL-SFHVURJKSA-N 321.380 2.662 0 40 DFAB CCc1noc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 40489600 COVTYYQCXYHPMI-ZDUSSCGKSA-N 315.373 2.740 0 40 DFAB Cc1nc(COc2cccc(C(=O)N3CCOCC3)c2)cs1 31334497 HZPVZNUDMWWEHD-UHFFFAOYSA-N 318.398 2.503 0 40 DFAB CCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1 40512082 MJWIJVGYKBJYGY-CYBMUJFWSA-N 320.414 2.910 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)on2)cc1OC 40512697 XUNUIZPYMJTDAI-LLVKDONJSA-N 304.346 2.881 0 40 DFAB C[C@H]1CCc2sc(C(=O)N3CCC(CC(N)=O)CC3)cc2C1 40542518 KFZWRALNSUGUSY-NSHDSACASA-N 320.458 2.601 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1 37927 UNFNSXQZQLNUTC-UHFFFAOYSA-N 321.130 2.825 0 40 DFAB C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](Cn2cncn2)O1 161460 NKCVVZUBNFITEG-MFKMUULPSA-N 314.172 2.873 0 40 DFAB Nc1c(Br)cc(Br)c2nsnc12 247763 UNGCOFBQQGXJMM-UHFFFAOYSA-N 308.986 2.799 0 40 DFAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1 299891 SQRURBYBWMWNNS-MRXNPFEDSA-N 301.729 2.753 0 40 DFAB Brc1ccccc1CN1CCC(n2cncn2)CC1 60296454 XVCWUBSEEBPCHE-UHFFFAOYSA-N 321.222 2.878 0 40 DFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cnccn1 60392475 PTPWEDHTPXBRRS-UHFFFAOYSA-N 317.370 2.845 0 40 DFAB COc1ccc2c(c1)CCC1=C2CC[C@@H](C(=O)O)[C@]1(C)C(=O)O 1644688 GUWQXSOYJZJBPE-MAUKXSAKSA-N 316.353 2.981 0 40 DFAB CC(=O)N1CCc2cc(C(=O)CN3CCC(C)CC3)ccc21 4959077 CIVJKCJNCZQMEZ-UHFFFAOYSA-N 300.402 2.510 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 7928665 XGALVCMYWDZHIY-OAHLLOKOSA-N 323.348 2.766 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](C)c1c(C)noc1C 69528742 NPXWUVKHOHKOPY-MAZHCROVSA-N 319.449 2.870 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 12019943 BYXGGWJIVGRSMZ-UHFFFAOYSA-N 303.402 2.963 0 40 DFAB c1ccc(-n2ccc(CN3CCCC[C@@H]3Cn3cncn3)n2)cc1 69740961 HCAWEIFLPZADQH-GOSISDBHSA-N 322.416 2.519 0 40 DFAB c1cncc(CO[C@@H]2[C@H]3CC[C@H]2N(Cc2ccco2)CCO3)c1 107775577 CPFCDYINRKRKJI-KURKYZTESA-N 314.385 2.623 0 40 DFAB CCSc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cn1 102716611 UTHZYQVCCNRIJL-CQSZACIVSA-N 318.446 2.672 0 40 DFAB CC(C)(C)C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 558050 IDQKNGHJLMQBIY-UHFFFAOYSA-N 301.375 2.837 0 40 DFAB C[C@H](O)c1ccc(CNC(=O)NCc2ccccc2F)cc1 53755744 VNZUGKHIAFOZKL-LBPRGKRZSA-N 302.349 2.878 0 40 DFAB O=S(=O)(NCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 22960191 FEJMYHQQKUGQAX-LLVKDONJSA-N 323.336 2.553 0 40 DFAB C[C@@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCO1 75572826 YXJVXVQZVWEKIT-IUODEOHRSA-N 312.373 2.833 0 40 DFAB O=C(Nc1nccs1)c1c[nH]c2ccc(Cl)cc2c1=O 28580167 QQEBGONSMHIOAW-UHFFFAOYSA-N 305.746 2.890 0 40 DFAB C[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccco1 24428050 ASGFZAPCOMUXHW-SECBINFHSA-N 305.284 2.785 0 40 DFAB O=C(Nc1cccc(OCCn2cncn2)c1)[C@H]1CC=CCC1 43246593 OMPUEKYTRQHJGY-AWEZNQCLSA-N 312.373 2.652 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)c1ccc2c3c(cccc13)CC2 24804295 VIQBWPORSVCQMU-ZDUSSCGKSA-N 305.381 2.953 0 40 DFAB CC(C)Cn1nc(C(=O)N(C)CC2CC2)c2ccccc2c1=O 55520247 NZFNTVMIHIYWHO-UHFFFAOYSA-N 313.401 2.535 0 40 DFAB Cc1ncsc1CN1CCC2(CC(Nc3ncccn3)C2)C1 108526583 FVNRVOXKZGRZNC-UHFFFAOYSA-N 315.446 2.708 0 40 DFAB COc1ccc(-c2nnc([C@@H](C)N3CCO[C@@H](C)C3)o2)cc1 25756151 DRPPVSTYKASDDG-NWDGAFQWSA-N 303.362 2.527 0 40 DFAB CCOC(=O)c1ccc(N2C(=O)Cc3ccccc3C2=O)cc1 1618940 WODLXPUSDXNVEF-UHFFFAOYSA-N 309.321 2.593 0 40 DFAB in-vitro O=C(COC(=O)c1ccc(Cl)nc1)NCCC1=CCCCC1 3275755 OOEMCDQCJSXFBR-UHFFFAOYSA-N 322.792 2.899 0 40 DFAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 57476999 CGTKHHHYDHYULP-UHFFFAOYSA-N 324.292 2.822 0 40 DFAB COc1cc(CNC(=O)[C@@H]2CC=CCC2)cc(OC)c1OC 12612780 HBLSHYBEAQFSHN-CYBMUJFWSA-N 305.374 2.685 0 40 DFAB COc1cccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 44868978 ZZXKOTPFSQPPMY-SFHVURJKSA-N 324.424 2.628 0 40 DFAB Cc1cccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1 44857969 QEUIMKFZCXFJSQ-UHFFFAOYSA-N 324.428 2.554 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 58365233 XCFUMRVXTXZGPP-BRWVUGGUSA-N 316.445 2.709 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1ccc([C@H]2C[C@H]2C)o1 58405319 WVKFLIZZYBWUEQ-RISCZKNCSA-N 302.422 2.801 0 40 DFAB COC[C@H](C)N(C)C[C@H](O)c1ccc(OC(F)(F)F)cc1 58433553 OWCMBRYDWPRFDR-GWCFXTLKSA-N 307.312 2.585 0 40 DFAB COc1cccc(-c2cc(C(=O)O)n3nc(C4CC4)cc3n2)c1 36615722 ZUBWMNWKCIRNHY-UHFFFAOYSA-N 309.325 2.981 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)c[nH]1 48355798 MIXMFDMFMBUBMP-LLVKDONJSA-N 306.749 2.580 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccccc1)C2=O 13061729 RUXBWDRZDPQUSY-KBXCAEBGSA-N 315.417 2.577 0 40 DFAB Cc1cc(C)nc(-n2[nH]c(C)c(Cc3ccccc3C)c2=O)n1 8742961 FKPDQWOPRWEALK-UHFFFAOYSA-N 308.385 2.780 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 63902690 KTSXYEQOOIDHKA-TVQRCGJNSA-N 316.382 2.608 0 40 DFAB CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccncc2)C1 4358549 BDGWVLWRVNUKQE-INIZCTEOSA-N 315.760 2.802 0 40 DFAB CCCNC(=O)NCc1c(C(=O)OCC)oc2ccccc12 65566346 OEHOVEOLMROKGT-UHFFFAOYSA-N 304.346 2.819 0 40 DFAB Cc1ccc(O)c(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)c1 4505138 KUVKNXAYWJORHL-MRXNPFEDSA-N 312.325 2.538 0 40 DFAB O=C(O)c1ccc(C(=O)N[C@H](c2nccs2)C2CC2)cc1 96479877 SFQGZNYPTJHOCI-LBPRGKRZSA-N 302.355 2.722 0 40 DFAB CCc1nccn1-c1ncnc2c1cnn2Cc1ccccc1 6665636 XYYHIRINLVXQPI-UHFFFAOYSA-N 304.357 2.623 0 40 DFAB CCOC(=O)CCCCN1CCc2c(cccc2NC(C)=O)C1 96417404 TYWPXEXNAOEYCC-UHFFFAOYSA-N 318.417 2.737 0 40 DFAB C[C@@]1(CNC(=O)Nc2cnn(CC(F)(F)F)c2)CCCS1 96466945 COUNYKNZPKNYTJ-NSHDSACASA-N 322.356 2.853 0 40 DFAB CC[C@H](NC(=O)N[C@H](C)c1cn(C)nc1C)c1nccs1 96415423 QOLMMRQCJXNMDV-SKDRFNHKSA-N 307.423 2.697 0 40 DFAB Cc1ccc(NC(=O)COc2cn(-c3ccccc3)nn2)cc1C 6850557 DIIGHAVCFLCRJQ-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1 7059140 LIXFZHNIEICIJE-GFCCVEGCSA-N 306.387 2.520 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccccc1OC 19736196 UTMQMISSFJNMBA-LLVKDONJSA-N 316.357 2.692 0 40 DFAB O[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 8149498 NBBBDJLJALUFFC-AWEZNQCLSA-N 306.369 2.653 0 40 DFAB CCOC1CCN(C(=O)NCCCc2cccc(F)c2)CC1 69127016 SAYNILIXYOAGRP-UHFFFAOYSA-N 308.397 2.969 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 69388518 NKWQBAAEOYODPD-LBPRGKRZSA-N 314.307 2.576 0 40 DFAB O=C(CN1CCCC[C@@H]1C1OCCO1)Nc1ccccc1Cl 69454378 VXWQYDIOHSRYSQ-CQSZACIVSA-N 324.808 2.506 0 40 DFAB COc1ccc(NC(=S)Nc2ccc(O)c(C(=O)O)c2)cc1 408587956 VERLYQNMZJQODK-UHFFFAOYSA-N 318.354 2.908 0 40 DFAB COc1cc(F)c(NC(=O)c2cccnc2N(C)C)cc1OC 71884410 ZVTZMZPEKSJPKY-UHFFFAOYSA-N 319.336 2.556 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccsc1 71858733 XYTDODYNOPKFFZ-UHFFFAOYSA-N 302.334 2.602 0 40 DFAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 71819468 NZXLAMNDIWVXHA-LBPRGKRZSA-N 318.808 2.582 0 40 DFAB NC(=O)c1cccc(NC(=O)CSc2ccc(F)cc2F)c1 9868668 PVVGMZYRSLKDNN-UHFFFAOYSA-N 322.336 2.795 0 40 DFAB CS(=O)(=O)c1cccc(OCCCOc2ccccc2)c1 71912417 FEJFTXZSKJUIFI-UHFFFAOYSA-N 306.383 2.938 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@]2(C)CCCS2)n1 84102201 FLKABHUOJOIWHS-WBMJQRKESA-N 324.494 2.721 0 40 DFAB NC(=O)c1cncc(Oc2ncnc3c2oc2ccccc23)c1 97047892 NIIPJSPKZVIXMK-UHFFFAOYSA-N 306.281 2.662 0 40 DFAB CN(Cc1ccncc1)C[C@@H](c1cccs1)N1CCOCC1 72296486 YDNBOJWXUJEGBF-INIZCTEOSA-N 317.458 2.648 0 40 DFAB Cc1c(CNC(=O)Nc2ccccc2-n2nccc2C)cnn1C 97107808 NJFZBVQQNFZUGP-UHFFFAOYSA-N 324.388 2.544 0 40 DFAB c1ccc(-c2nc(CNc3ccc(-n4cncn4)cc3)no2)cc1 79017400 VQWHERRMIQPTHT-UHFFFAOYSA-N 318.340 2.929 0 40 DFAB Nc1ncnc(NC[C@H]2CCN(c3ccccc3)C2)c1Cl 97238104 LTPGVVVEHWNTFX-LLVKDONJSA-N 303.797 2.651 0 40 DFAB COc1ccc(COC(=O)c2ccc(CNC(C)=O)cc2)cc1 72691011 JSHALXUYTQUUNQ-UHFFFAOYSA-N 313.353 2.688 0 40 DFAB O=C(O)Cc1cccc(NC(=O)c2ccc(-n3ccnc3)cc2)c1 95427675 SARKMQGTUWQAQW-UHFFFAOYSA-N 321.336 2.752 0 40 DFAB COCCC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCC1 95416101 JAMWTJWBQDFFOF-UHFFFAOYSA-N 304.394 2.682 0 40 DFAB CN1CCN(CCCN[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 95419536 JUUGNWICZUOLRR-WOJBJXKFSA-N 315.505 2.625 0 40 DFAB COC(=O)[C@H]1CCN(Cc2nc(C)c(C)o2)c2ccccc21 95976181 FCDLAKPJXTWFIK-AWEZNQCLSA-N 300.358 2.958 0 40 DFAB NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 75138492 DWAYVFLBXFXBFK-QGZVFWFLSA-N 320.392 2.795 0 40 DFAB O=C(COC1CCCCC1)N1CCO[C@H](c2cccs2)C1 89799976 MMWQIZWLNMIVDG-AWEZNQCLSA-N 309.431 2.997 0 40 DFAB COc1ccc(NC(=O)c2cccc3c2OCCO3)cc1OC 60135301 VSQLLNPSSGFOAH-UHFFFAOYSA-N 315.325 2.727 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)on1 24924476 CQKZDMJAULFAPC-GFCCVEGCSA-N 306.749 2.904 0 40 DFAB O=C(Nc1cccc(Cl)c1)c1nc2c(s1)CCNCC2 306139995 UGGYGMAMUXIQLX-UHFFFAOYSA-N 307.806 2.737 0 40 DFAB NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408695907 UWFCBUMPWZSSDN-UHFFFAOYSA-N 316.723 2.826 0 40 DFAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccncc1 32647543 MHQWNLYKRSHWEM-UHFFFAOYSA-N 313.748 2.627 0 40 DFAB CC1=NNC(=O)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844344 PKAGJHVFBZSBDE-UHFFFAOYSA-N 318.336 2.850 0 40 DFAB biogenic Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@@H]2c2ccccc2)cc1 218049596 XDKJNKPOHFAFHI-IXDOHACOSA-N 301.411 2.510 0 40 DFAB CCOC(=O)C1=Cc2ccccc2O[C@@]1(OC)C(F)(F)F 217808568 MMUCCQHDOMONJI-CYBMUJFWSA-N 302.248 2.931 0 40 DFAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCC(Cc2ccccc2)CC1 225508482 FTNNMMQWILVJAV-KRWDZBQOSA-N 323.440 2.996 0 40 DFAB C[C@@H]1CN(C)C[C@H](c2nc(C3(c4ccccc4F)CC3)no2)O1 527546036 OGSSDGBPUYZZIB-BXUZGUMPSA-N 317.364 2.680 0 40 DFAB S=C(Nc1ccc2c(c1)OCCO2)N[C@H]1C[C@@H]2CC[C@@H]1C2 225321907 UEFKYSQXRIZFRP-WZRBSPASSA-N 304.415 2.933 0 40 DFAB C[C@]1(C(=O)NCC2CCCC2)Oc2ccc(Cl)cc2NC1=O 41549613 NGPQOQZUGLGAOU-MRXNPFEDSA-N 322.792 2.736 0 40 DFAB Cc1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 224818281 FCLQXNXCQBKRQF-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB CC[C@H](C)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386257 XOFQVUJPEVKDTA-WFASDCNBSA-N 314.385 2.601 0 40 DFAB COc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)c(OC)c1 141592935 IDKWRDUGFXAJGC-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB COc1cc(NCCNC(=O)c2cscc2C)cc(OC)c1 96483730 HFTXGUJQDAQJMQ-UHFFFAOYSA-N 320.414 2.916 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042098 BCBAZMBOMKJSMD-LTIDMASMSA-N 305.418 2.528 0 40 DFAB COCc1csc(NS(=O)(=O)c2ccc(Cl)s2)n1 96407110 FYNIHPKONYKLSP-UHFFFAOYSA-N 324.836 2.805 0 40 DFAB O=C(CCCc1cccs1)Nc1cnn(-c2ncccn2)c1 96414096 VLTFPMBQPIMSOB-UHFFFAOYSA-N 313.386 2.685 0 40 DFAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)o3)O2)n1 96057517 WZZVGVOGLOLPRV-RBSFLKMASA-N 303.362 2.774 0 40 DFAB CC[C@@]1(C)Oc2ccc(NC(=O)CCc3cnn(C)c3)cc2O1 97104345 YQWZKNHNJAJCRF-KRWDZBQOSA-N 315.373 2.889 0 40 DFAB CCO[C@@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1 253382489 IKCORKZUUBPWFR-AWEZNQCLSA-N 304.415 2.540 0 40 DFAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ccccc1 257254329 KCPRZHJIXPVFAM-WMZOPIPTSA-N 302.418 2.541 0 40 DFAB Cc1ccc(Nc2nc([C@@H]3CCCN3CCO)cs2)nc1 257282893 OVTICRFHKKISDL-ZDUSSCGKSA-N 304.419 2.719 0 40 DFAB C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(Cl)cn1C 263045293 WBRJEQVEALZZRW-LLVKDONJSA-N 320.776 2.794 0 40 DFAB Cc1cc(C(=O)O)cc(C(=O)NCc2nnc(C(C)C)s2)c1 262815873 AKUBPILBKDYILT-UHFFFAOYSA-N 319.386 2.598 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCN1c1nc2ccccc2o1 96122572 JESGYOXSDZINLI-AWEZNQCLSA-N 308.341 2.830 0 40 DFAB Cc1ncccc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 585274849 PKWFOMHGIBVNLM-GOSISDBHSA-N 316.376 2.545 0 40 DFAB Cc1nc2ccc(C(=O)N3CCNC[C@@H]3c3ccccc3)cc2[nH]1 585182263 JDEWCRGIGSSGCW-GOSISDBHSA-N 320.396 2.658 0 40 DFAB COCC[C@@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 585105271 RVDZLZQGMWNJOR-MRXNPFEDSA-N 304.434 2.798 0 40 DFAB O=C(NCc1nc(C2CC2)no1)C1(c2cccc(Cl)c2)CC1 55714413 DUSZQGWHWBIVIT-UHFFFAOYSA-N 317.776 2.948 0 40 DFAB CCn1c(CN(C)C(=O)NCc2cccnc2)nc2ccccc21 65539346 JXHOSKUVWROTPK-UHFFFAOYSA-N 323.400 2.793 0 40 DFAB O=C(CSCC(F)(F)F)Nc1ccnn1-c1ccccn1 562699441 ZQUZVHAZAVJRSR-UHFFFAOYSA-N 316.308 2.501 0 40 DFAB COc1cc(Br)ccc1CN[C@]1(C)CCOC1 96005650 UJSHBPHPGIBKEA-CYBMUJFWSA-N 300.196 2.726 0 40 DFAB CN1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCC2)C1 5119318 FBTZRJBLUHAQKJ-DLBZAZTESA-N 317.429 2.713 0 40 DFAB CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)O 5414815 OVWBNDCSAFUIBV-QWRGUYRKSA-N 310.781 2.698 0 40 DFAB biogenic,in-vitro COc1ccccc1CCC(=O)N1CCCC[C@@H]2[C@H]1CCN2C 19712519 KLTJPCUETWHVQN-IAGOWNOFSA-N 316.445 2.713 0 40 DFAB O=C(O)C[C@H](c1cccs1)N1C(=O)c2ccccc2C1=O 19784078 KWEOBIDWUCNXQZ-LLVKDONJSA-N 301.323 2.560 0 40 DFAB O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccc2)[nH]c1=O 19937352 WEZVFAURUOKPRF-UHFFFAOYSA-N 323.327 2.506 0 40 DFAB C[C@H](c1cccc(Cl)c1)S(=O)(=O)C[C@@H](O)C(F)(F)F 158702210 NYPCETZTZIPPHB-GMSGAONNSA-N 316.728 2.739 0 40 DFAB CC(C)N1C(=O)C[C@H]2[C@H](CNC(=O)CC(C)(C)C)[C@@H](C)C[C@H]21 1775964184 VSFPNKDKPRVWFF-BYNSBNAKSA-N 308.466 2.820 0 40 DFAB biogenic,in-vitro CCOC[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2cn(C)nc21 1565548965 KAXMOYPKHCGRAZ-MAUKXSAKSA-N 317.433 2.629 0 40 DFAB Cn1cc(NC(=O)Nc2ccccc2C(N)=O)c2ccccc21 5265820 SFEODWYDWGVGMU-UHFFFAOYSA-N 308.341 2.921 0 40 DFAB Cc1cccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1C 13490037 LTLAECLFZXWEMD-UHFFFAOYSA-N 313.309 2.751 0 40 DFAB O=C(O)c1ccccc1N[C@H]1CC(=O)N(C2CCCCC2)C1 13944151 BQLSIYMARCFHCW-LBPRGKRZSA-N 302.374 2.730 0 40 DFAB C[C@H]1C[C@@H](C)CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 39987689 SPUNZFPEIREIBP-TXEJJXNPSA-N 305.809 2.826 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3ccc(C)o3)ccc21 40475441 OBWGECGECCEGJU-GFCCVEGCSA-N 312.369 2.988 0 40 DFAB CCc1cc2c(=O)n(C[C@H](O)c3ccccc3)cnc2s1 40485485 HCUDPCIZLLFTGL-AWEZNQCLSA-N 300.383 2.754 0 40 DFAB COc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1 212141 IELRCRVJYMJVIW-INIZCTEOSA-N 302.418 2.530 0 40 DFAB CCn1nnc(NC(=O)C(C)(c2ccccc2)c2ccccc2)n1 557803 PMPZNGGXCKZDGB-UHFFFAOYSA-N 321.384 2.638 0 40 DFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 60164921 LVROUGRBIIPIEX-OLZOCXBDSA-N 315.417 2.520 0 40 DFAB NC(=O)C[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 60296401 GVSQMMXXGSRBLL-CYBMUJFWSA-N 300.324 2.935 0 40 DFAB O=C(NCc1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 889712 JPLRLIONACOSFZ-OAHLLOKOSA-N 303.745 2.796 0 40 DFAB Cc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 2648391 UJSOJWGMHFXPJR-UHFFFAOYSA-N 324.446 2.528 0 40 DFAB Cc1cc(COC(=O)[C@H]2COc3ccc(Cl)cc3C2)on1 32386608 LMXVKXOSCBIFQG-LLVKDONJSA-N 307.733 2.931 0 40 DFAB C[C@H]1CCC2=NN(C(=O)c3ccco3)[C@](O)(C(F)(F)F)[C@@H]2C1 4559060 WWMBCTJTJQTNDI-IGJMFERPSA-N 316.279 2.779 0 40 DFAB CC(=O)N1CCc2cc(C(=O)CN(C)Cc3ccccc3)ccc21 4959053 GTDIYWIWQANCPT-UHFFFAOYSA-N 322.408 2.910 0 40 DFAB O=C(CCNc1ncccn1)N[C@@H]1C[C@H]1c1ccccc1Cl 69435853 XXSOLMFZQKTKHF-GXTWGEPZSA-N 316.792 2.604 0 40 DFAB CCOc1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1 53718499 UZFHDKQFDSJFQH-UHFFFAOYSA-N 302.418 2.530 0 40 DFAB COCc1cccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 47416600 FOTHFEWULUQPRC-IYBDPMFKSA-N 318.461 2.931 0 40 DFAB S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1C[C@H]2CC[C@H]1C2 104746700 CVGGVKUKJCITBC-WCFLWFBJSA-N 304.415 2.568 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc(COC)cc2)[C@@H](CC)C1 89948918 CXFHDWBDWYKHKH-ROUUACIJSA-N 318.461 2.960 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2cccc(COC)c2)C12CCC2 89985892 UIJWXEWVSLHWTR-JKSUJKDBSA-N 303.402 2.911 0 40 DFAB CCCC(=O)N(C)[C@H](C(=O)OC)c1cc(F)c(F)c(F)c1 89949351 NMNHNVHXGXZISM-ZDUSSCGKSA-N 303.280 2.577 0 40 DFAB CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CCCCO1 75603672 DNXRUYHRBOUUKP-CVEARBPZSA-N 324.490 2.622 0 40 DFAB CC(C)Sc1ccc(N2CCC[C@@H](N3CCCC3=O)C2)nn1 75611291 VKGPLEUFNWPKBX-CYBMUJFWSA-N 320.462 2.568 0 40 DFAB O=C(CN1CCC(C(F)(F)F)CC1)N1CCc2ccccc21 75996414 NZQAQWWOSXLSAF-UHFFFAOYSA-N 312.335 2.850 0 40 DFAB Cn1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)cc1=O 55908059 SXSIGNCEJHDTFQ-KRWDZBQOSA-N 300.377 2.732 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107451353 CJIZLHVZHPLBBP-FYCHZAKZSA-N 301.434 2.991 0 40 DFAB FC(F)(F)c1nnc2ccc(NCCOc3ccccc3)nn12 26730377 NWIXBLNWRZXYBO-UHFFFAOYSA-N 323.278 2.634 0 40 DFAB CCCN1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 58064433 TYHJKGOIYBRWGH-AWEZNQCLSA-N 300.406 2.825 0 40 DFAB Cc1cccc(OC[C@H](O)CNC(=O)Nc2ccccc2F)c1 58017149 JSPAMSVAPPMDFS-CYBMUJFWSA-N 318.348 2.696 0 40 DFAB O=C(c1ccc2[nH]nnc2c1)N1CCc2[nH]c3ccccc3c2C1 10192305 NAMRLEGFIACCLS-UHFFFAOYSA-N 317.352 2.638 0 40 DFAB Nc1nc(Cl)cc(N2CCN(c3ccc(Cl)cc3)CC2)n1 69001627 DWDPYJUUAMMDFA-UHFFFAOYSA-N 324.215 2.692 0 40 DFAB CCN(CC)C(=O)CN(C)Cc1coc(-c2ccccc2)n1 58167924 ZCGHDDPQGOWKCR-UHFFFAOYSA-N 301.390 2.642 0 40 DFAB COc1ncccc1CNC(=O)[C@@H]1Cc2ccc(C)cc2S1 44908529 FKEYDVXUSDTQIX-HNNXBMFYSA-N 314.410 2.732 0 40 DFAB Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c2cnn(C(C)C)c2n1 27885862 XGODWBUGURALGE-IUODEOHRSA-N 316.405 2.618 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(C)cc2O)c1 3494590 HWMCWFHSOLJOJE-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O 4121090 WWKJPAIMJOHBOH-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C32CC2)c1 4379883 LYJUWOLHXJASTH-QPSCCSFWSA-N 313.353 2.547 0 40 DFAB N=C1C(=O)OC[C@@H]1c1ccccc1NC(=O)Nc1ccccc1 4398470 QOHUJEODVSQNNK-CYBMUJFWSA-N 309.325 2.991 0 40 DFAB CCC[C@@H](O)CC(=O)OCc1nc(-c2ccc(C)cc2)no1 69977988 QICAANSSCTYHCZ-CYBMUJFWSA-N 304.346 2.639 0 40 DFAB Cc1nnc2n(c1=O)N[C@@H](c1c(Cl)cccc1Cl)S2 28114171 ASOBMANECNHGFK-SECBINFHSA-N 315.185 2.602 0 40 DFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1 5391383 CVQLUXBVKXGICD-LLVKDONJSA-N 302.330 2.729 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccco1)c1ccccc1Cl 14120603 AJTHGDXCBWEEOZ-GFCCVEGCSA-N 307.733 2.967 0 40 DFAB CCCCNC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 4680216 LDVGJAFKKDYVCE-UHFFFAOYSA-N 304.434 2.824 0 40 DFAB COC[C@@H](C)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8734169 SJWMHSOUTNUUTI-SNVBAGLBSA-N 324.377 2.724 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 8726808 XBVMWNNFQOEASO-UHFFFAOYSA-N 307.346 2.872 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O 7022654 HDMNSBBIWJMSGB-GXFFZTMASA-N 324.808 2.513 0 40 DFAB COc1ccc(NC(=O)CCc2cccc(OC)c2OC)cn1 7283364 HLRUWQAWQKJRSF-UHFFFAOYSA-N 316.357 2.679 0 40 DFAB COc1ccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 9135170 HGZAKQKKDNFSPP-NSHDSACASA-N 316.357 2.826 0 40 DFAB Cc1nc(CSCC(=O)Nc2c(C)n[nH]c2C)sc1C 91036573 NAFLGLYARFBYHF-UHFFFAOYSA-N 310.448 2.972 0 40 DFAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCO1 97055025 QUXGYHXHQMAEKX-ZWNOBZJWSA-N 301.308 2.932 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 97045124 PJEOKFNKOHILKU-NSHDSACASA-N 311.328 2.611 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C1CCCCC1 71858751 MUFOIHYAEZWMDG-UHFFFAOYSA-N 302.353 2.807 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](NCc1c[nH]nc1C(C)(C)C)CC2 71877285 SJNLYZPSMVYSGW-CYBMUJFWSA-N 316.453 2.527 0 40 DFAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2Cn2cccn2)s1 71865176 LWUWFXKKSHFKFU-CYBMUJFWSA-N 304.419 2.651 0 40 DFAB Clc1ccc(-c2cc(CNCCn3cccn3)on2)cc1 72267774 VGUNXKJBJADQCR-UHFFFAOYSA-N 302.765 2.981 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@@H](c2ccccc2)C(C)C)on1 72301843 UGEYIMDLDWXCLX-OAHLLOKOSA-N 308.403 2.800 0 40 DFAB O=c1[nH]c([C@H]2CSCCS2)nc2cc(F)c(F)cc12 84338824 ACBYAVHPEOMJCP-SNVBAGLBSA-N 300.355 2.722 0 40 DFAB C=CC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2CC(C)C)cc1 72703237 KAPHRHCTVVOQRZ-INIZCTEOSA-N 316.401 2.698 0 40 DFAB CC[C@@H](NCc1ccc(CS(N)(=O)=O)cc1)c1ccccc1 95395890 SDBKCLQXPWPRDX-QGZVFWFLSA-N 318.442 2.716 0 40 DFAB O=C(NCc1ccncc1)N[C@H]1CCC[C@H]1Oc1ccccc1 95396231 ZVGBWSZSEHSGHG-DLBZAZTESA-N 311.385 2.881 0 40 DFAB CNC(=O)c1cccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)n1 95437968 QDRIRKZXLRETTQ-BZPMIXESSA-N 316.405 2.626 0 40 DFAB Cc1nc(C)c(C(=O)Nc2cccc(-n3cnnc3C)c2)s1 95450799 ZEBSDTDKNUKCEU-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)N2CCCSCC2)C1 98034515 ORLHZBNLVHKWAD-QLFBSQMISA-N 313.511 2.501 0 40 DFAB CCn1cc(CC(=O)N[C@](C)(C(=O)O)C2CC2)c2ccccc21 95989591 MGFMYTQJAGEKGH-SFHVURJKSA-N 314.385 2.573 0 40 DFAB Cc1ccc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n1C 95960071 PITZWHZVEGRGGT-KRWDZBQOSA-N 316.401 2.584 0 40 DFAB C[C@@H](NCCOc1cccc2c1OC(C)(C)C2)c1nccn1C 95984974 LKMFSWVESWKZKS-CYBMUJFWSA-N 315.417 2.863 0 40 DFAB CCC[C@@H](CC(=O)O)NC(=O)Cc1ccc(OC(F)F)cc1 95976327 PTWNPOOQEBENQI-NSHDSACASA-N 315.316 2.590 0 40 DFAB C[C@H]1CCC[C@@H](C)CN1C(=O)NCCCCn1ccccc1=O 74266637 WXDDVZIHEBWFFL-CVEARBPZSA-N 319.449 2.849 0 40 DFAB C[C@@H](NC(=O)Nc1cccc(OCCF)c1)C1CCOCC1 89894397 MBXUNJGZTRHENB-GFCCVEGCSA-N 310.369 2.972 0 40 DFAB CCCN1CCN[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72352739 QDEITGLPSRHAAR-SFHVURJKSA-N 309.413 2.502 0 40 DFAB COc1cc(N[C@@H](C)CCCNC(C)=O)c2ncccc2c1 5141506 YVURERLGLAYCCQ-LBPRGKRZSA-N 301.390 2.960 0 40 DFAB biogenic O=C(N[C@H]1CCCNC1)c1cc(Cl)ccc1Br 123976876 XUFOZPFCILTQOQ-VIFPVBQESA-N 317.614 2.584 0 40 DFAB Cc1cc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 70640486 MMNZCDVNSUPZCX-UHFFFAOYSA-N 324.739 2.944 0 40 DFAB COc1ccc(CCC(=O)NC[C@@](C)(O)c2ccccc2)cc1 70639587 AKPLTOMDVLISKO-LJQANCHMSA-N 313.397 2.652 0 40 DFAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nncs1 36352571 WDMMFYFHXFQCCK-UHFFFAOYSA-N 320.374 2.982 0 40 DFAB O=C(NC1CC1)c1cnn(-c2ccccc2F)c1-n1cccc1 32796413 AWANXVMCHONZCS-UHFFFAOYSA-N 310.332 2.694 0 40 DFAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(CC)CC1 44849091 SKCKBTNSOQZMSW-AWEZNQCLSA-N 310.825 2.662 0 40 DFAB CN(C)[C@@H]1CC[C@@H](NC(=O)c2ncoc2-c2ccc(F)cc2)C1 225389109 AUPQPWRDQWBHAS-ZIAGYGMSSA-N 317.364 2.693 0 40 DFAB C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)C[C@@]1(C)C(=O)O 570517161 BLOGCBGFSXSHGE-KZULUSFZSA-N 312.369 2.865 0 40 DFAB CCCOCc1cc(C(=O)NC[C@H]2CCCO2)ccc1OC 224411504 IAEBRYCWIASTDS-OAHLLOKOSA-N 307.390 2.531 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)c(Cl)c1 192297966 LCACFTWIXBZLCB-UHFFFAOYSA-N 302.761 2.677 0 40 DFAB COc1cccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)c1 224296846 MQDIYKNUISSAKP-UHFFFAOYSA-N 315.377 2.812 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3c[nH]c4ccccc34)C2)nn1 225424324 PMYXWILIORVFIP-CYBMUJFWSA-N 322.368 2.560 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccccc1OC(F)F 225793489 ANFBLRNICVPSLR-JYILRKAJSA-N 319.307 2.990 0 40 DFAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc[nH]n2)CC1 93022243 KDFOHIDYHWFDDV-UHFFFAOYSA-N 323.400 2.799 0 40 DFAB Cc1cccc(NC2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)c1 330353787 OVVIMYGPSNEGAZ-HNNXBMFYSA-N 324.428 2.992 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](c2nccs2)C1 97200036 TXSNFKIFIDJUEW-ONGXEEELSA-N 306.391 2.538 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2nn(C)cc21 96060382 JTTYZXSNCGUMKI-ZDUSSCGKSA-N 305.447 2.926 0 40 DFAB COCCN1CCCC12CCN(C(=O)c1ccc(F)cc1)CC2 96075223 OWLDUYBPNAVEOX-UHFFFAOYSA-N 320.408 2.543 0 40 DFAB CCN1CC[C@H](N(C)C(=O)c2cc3cccnc3[nH]2)C[C@H]1C 334125359 OUYMUITYVCLYKS-OCCSQVGLSA-N 300.406 2.508 0 40 DFAB Cc1ccc(C(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)cn1 248100109 NQQDMGBKWNQXSY-HNNXBMFYSA-N 318.442 2.517 0 40 DFAB COCC[C@@H]1CCOC2(C1)CN(C(=O)c1ccccc1C)C2 248159417 NSQKHVSGTYLKGA-OAHLLOKOSA-N 303.402 2.653 0 40 DFAB Cn1cc(C(=O)N2CCO[C@H](c3ccncc3)C2)c2ccccc21 257248443 JDSDLQXWEYEBFL-SFHVURJKSA-N 321.380 2.787 0 40 DFAB Cn1cc(CN2C[C@H]3CCC[C@H](Cc4cccnc4)[C@H]3C2)cn1 257299295 RPLQWDWACKKMFM-GUDVDZBRSA-N 310.445 2.906 0 40 DFAB Cc1cccnc1NCc1cnn(-c2ccccc2C(=O)O)c1 257207164 BGPNBGLOGGTSHX-UHFFFAOYSA-N 308.341 2.886 0 40 DFAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cscn2)ccn1 257248015 JBRPUZOMBNSEJE-CYBMUJFWSA-N 302.403 2.581 0 40 DFAB CN(C)c1ccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)nc1 257264331 LTYLLAUIBWKJIW-MSOLQXFVSA-N 303.450 2.631 0 40 DFAB CC1(c2nccs2)CCN(CC(=O)N2CCCCC2)CC1 257243996 IJLKIENCPLTHSL-UHFFFAOYSA-N 307.463 2.509 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)C3CCOCC3)CC2)s1 257334758 YHGLCHBYTFYGND-UHFFFAOYSA-N 308.447 2.758 0 40 DFAB Cc1csc([C@H](C)CNC(=O)c2ccc(C(=O)O)cc2)n1 263432404 NTKWDTBIKJJERY-SECBINFHSA-N 304.371 2.683 0 40 DFAB O=C(NCC[C@@H](O)c1ccoc1)NCc1ccc(Cl)cc1 90613358 PWGZUMMNSILXGX-CQSZACIVSA-N 308.765 2.856 0 40 DFAB Cc1nccc(O[C@H]2CCCN(C(=O)Nc3cccs3)C2)n1 575604868 GOGZOPRPKQZXRE-LBPRGKRZSA-N 318.402 2.922 0 40 DFAB Cc1cccn2cc(C(=O)NCc3nnc(C4CC4)s3)cc12 822816753 ZZDASOIGNQTZPQ-UHFFFAOYSA-N 312.398 2.907 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccoc1C1CC1)c1ccncc1 585123522 CZLPTLOBAIKBPA-CQSZACIVSA-N 314.341 2.586 0 40 DFAB Cc1ccc2ncn(CC(=O)NC3CCCCCC3)c(=O)c2c1 47369830 DZPHDXIEESAPPF-UHFFFAOYSA-N 313.401 2.544 0 40 DFAB O=C(Nc1cn[nH]c1)N(Cc1ccccc1)C[C@@H]1CCCO1 57029868 AIPGLJDLHUBJHV-HNNXBMFYSA-N 300.362 2.623 0 40 DFAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1n[nH]c2ccccc12 66842180 ZGOFPBXHSIBCCT-UHFFFAOYSA-N 321.340 2.559 0 40 DFAB Cc1cc(CSc2nncn2CCc2ccccn2)no1 68275307 GQLLXAWXZDVCBN-UHFFFAOYSA-N 301.375 2.505 0 40 DFAB O=C1CC[C@H](C(=O)N2CCC(c3cccc4ccccc34)CC2)N1 69737128 ZSZUDELQCAJYPR-GOSISDBHSA-N 322.408 2.824 0 40 DFAB CC(=O)c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 71926474 NFIJPWHGRGUYAO-KRWDZBQOSA-N 312.369 2.614 0 40 DFAB Cc1cccc(OCCCCC(=O)N(CC(N)=O)CC(C)C)c1 89677654 ZRAAPYKEGONKSL-UHFFFAOYSA-N 320.433 2.514 0 40 DFAB COC(C)(C)CN[C@H](C)c1cc2c(s1)SCC(=O)N2 97234800 GQKFQFKRQYEKKL-MRVPVSSYSA-N 300.449 2.868 0 40 DFAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(F)cc1 12020713 LCFLWOIVEIDNFK-UHFFFAOYSA-N 310.328 2.939 0 40 DFAB CCc1c(C)noc1-c1cnc(N(C)C)nc1-c1cnc(C)cn1 12156544 IYMJOCOXZVADRO-UHFFFAOYSA-N 324.388 2.834 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1ccc2c(c1)CCCO2 19458863 YULZEEGNBIZDKV-BXUZGUMPSA-N 317.385 2.531 0 40 DFAB CC[C@@H](C(=O)N1CC(OCC(F)(F)F)C1)c1ccccc1 390828216 AJAFFMGIEBVFKQ-CYBMUJFWSA-N 301.308 2.970 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccncc2)CC1 1848585024 IJCHENIDPWUOJC-UHFFFAOYSA-N 317.824 2.626 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)C1CC1)c1ccc(Cl)cc1 39985018 UNPBZWYZFLIMSU-BONVTDFDSA-N 308.809 2.822 0 40 DFAB C[C@H](C(=O)N[C@H](c1cccs1)C1CCOCC1)n1cccn1 1565523697 XRVGGCWOABBETR-DOMZBBRYSA-N 319.430 2.790 0 40 DFAB COc1ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc2c1 2687224 BBWRKQBHONFQPB-UHFFFAOYSA-N 316.334 2.634 0 40 DFAB COCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9134474 WZWMLQVRYWQVCS-UHFFFAOYSA-N 312.325 2.654 0 40 DFAB CSc1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3 20319482 NLSNWDNTVGFGDL-UHFFFAOYSA-N 320.487 2.702 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)c1ccnc(N(C)C)c1 40513599 NNIINDFXAZPNMA-UHFFFAOYSA-N 311.385 2.749 0 40 DFAB O=C(Nc1ccc(-c2noc(O)n2)cc1)c1cc(F)ccc1F 60372921 KMTNHNZJJIJCNJ-UHFFFAOYSA-N 317.251 2.973 0 40 DFAB CCCCOc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1 1880477 NFRCXIFPMBJPAU-IBGZPJMESA-N 324.380 2.949 0 40 DFAB COC(=O)c1cccc(COC(=O)c2sc(C)nc2C)c1 21327142 PSJKIJJYPCWSES-UHFFFAOYSA-N 305.355 2.904 0 40 DFAB CN(CC(=O)Nc1ccccc1)C(=O)CCc1ccsc1 32830934 RLRLXXYNXJPEEO-UHFFFAOYSA-N 302.399 2.778 0 40 DFAB Cc1nc2ccccc2nc1COC(=O)Cc1c(C)nn(C)c1C 32865494 VSKZETBFWZMENH-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB COc1ccccc1CNC(=O)COc1cccc2cccnc12 6127908 ZIGQPDBBNSBOQR-UHFFFAOYSA-N 322.364 2.939 0 40 DFAB CCc1nnc2n1CCN(C(=O)c1cc3ccccc3s1)C2 69451734 XHCNJASCDSNDTM-UHFFFAOYSA-N 312.398 2.711 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(OC)cc2)c1C 492604 GWCVOOHOLOHWEW-UHFFFAOYSA-N 317.341 2.784 0 40 DFAB C[C@@H](SCc1nc(N)c2ccccc2n1)C(=O)NC(C)(C)C 69769457 PGMHWKDFQOXLNX-SNVBAGLBSA-N 318.446 2.748 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1 57355447 GFEYRAFPQBEKFZ-NVXWUHKLSA-N 300.402 2.655 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2)CC1 21822272 QGRKVRYNHSZETA-KRWDZBQOSA-N 323.440 2.831 0 40 DFAB CC(C)(C)c1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccccn2)n1 69414504 ORELIJGYGIOJRA-LBPRGKRZSA-N 314.389 2.682 0 40 DFAB C[C@@H]1[C@@H](NC(=O)CCC(=O)Nc2cccnc2)CCC[C@H]1C 103200559 NDLRVHXPONQDRJ-IPYPFGDCSA-N 303.406 2.741 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1c1cccs1 47029084 NWTMTBKQVHFWLM-QWHCGFSZSA-N 304.419 2.880 0 40 DFAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)c1ccccc1C 54057655 JTTNOZDFGOHQLE-ZFWWWQNUSA-N 322.474 2.820 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H](n3ccnc3C)C2)s1 69770584 PNQJBZQOMQCIMA-ZDUSSCGKSA-N 304.419 2.742 0 40 DFAB COc1ccc(C(=O)N(C)CCOc2ccccc2F)c(O)c1 24213523 GWMVHUMMVIVTGJ-UHFFFAOYSA-N 319.332 2.691 0 40 DFAB C[C@H](Cc1ccc(O)cc1)NC(=O)NCCc1cccs1 55083899 SXCGDYPUGBZBSJ-GFCCVEGCSA-N 304.415 2.927 0 40 DFAB Cn1nncc1CN1CCSC[C@H]1c1ccc(Cl)cc1 93530051 HDILULZSTWIFHP-AWEZNQCLSA-N 308.838 2.759 0 40 DFAB COCCOCc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 47591722 ZHFCIWMPDNYNGT-CJNGLKHVSA-N 322.405 2.539 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 24868220 NMKKAVYTJTWZEJ-CQSZACIVSA-N 309.369 2.573 0 40 DFAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CCCCC1 12534822 GDSTWBHUSCEPRE-CQSZACIVSA-N 315.417 2.626 0 40 DFAB Cc1ccc(CNC(=O)Cc2csc(-c3ccco3)n2)n1C 25352448 WVNQOCPYSXTBNN-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)[nH]c1 43500687 VFAPPQXJZUACMD-UHFFFAOYSA-N 310.275 2.666 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCO1 10100703 JHHUKTJXIUGFSP-LBPRGKRZSA-N 318.354 2.656 0 40 DFAB O=C(OCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 75610570 KKNVYEWWWNSYOU-OAHLLOKOSA-N 319.376 2.560 0 40 DFAB CCS(=O)(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 29507237 HQSRULZPFODFET-UHFFFAOYSA-N 318.398 2.725 0 40 DFAB C[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccccc1 58264543 HKDWIACYHVMFOP-LRDDRELGSA-N 302.349 2.920 0 40 DFAB COc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1F 76057750 TYRVKBBCDGEETQ-CZUORRHYSA-N 322.424 2.817 0 40 DFAB CN(C)c1cc(CNC(=O)NCc2ccco2)c2ccccc2n1 76082522 XNLSEQJEKIRXJD-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB CCC(=O)N1CC[C@@H](NCC2=Cc3ccccc3OC2)[C@H](C)C1 76058035 INDXIUBDTZVVBV-RHSMWYFYSA-N 314.429 2.699 0 40 DFAB Cc1ccc(OCCCCNC(=O)Nc2nncs2)cc1 44944926 ZBBXRVBNKOHPOT-UHFFFAOYSA-N 306.391 2.827 0 40 DFAB C[C@@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@@H]1N(C)C 76056706 LGLWKBJCRBSSEO-BMIGLBTASA-N 305.809 2.843 0 40 DFAB COc1ccccc1CC(=O)NCc1ncc(-c2ccccc2)[nH]1 58305518 FPUYZJAXWZJHBK-UHFFFAOYSA-N 321.380 2.944 0 40 DFAB O=C(/C=C/c1ccccn1)Nc1ccc(Cn2cccn2)cc1 58429794 WNPXYRTUEUEXDE-MDZDMXLPSA-N 304.353 2.978 0 40 DFAB NC(=O)c1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 36358626 USNVQZRZXZVPKQ-UHFFFAOYSA-N 324.365 2.556 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc[nH]c2)C1 119824493 QRIRDRZDUGFNOE-QWHCGFSZSA-N 307.394 2.580 0 40 DFAB CN(C)c1ccc(NC(=O)c2cnccn2)c(C(F)(F)F)c1 36759410 VENAIBMTNFKEGI-UHFFFAOYSA-N 310.279 2.814 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccccn1)c1cccs1 48237015 CPWLLNXBDLQKRK-BXUZGUMPSA-N 317.414 2.588 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 48333958 GPCDFKAOQITUOV-ZDUSSCGKSA-N 305.765 2.633 0 40 DFAB FC(F)(F)c1ccc(N2CCC(Nc3ncccn3)CC2)nc1 48356657 CHPCNDKWHRFMTQ-UHFFFAOYSA-N 323.322 2.971 0 40 DFAB Cc1ccc(S(=O)(=O)CCCN(C)c2c(C)noc2C)cc1 91623623 WBGNEWRYAQRHGG-UHFFFAOYSA-N 322.430 2.900 0 40 DFAB c1csc(-c2nc(CN(C[C@H]3CCOC3)C3CC3)no2)c1 69508637 HCPJNXINPBAUMH-LLVKDONJSA-N 305.403 2.799 0 40 DFAB C[C@H]1OCC[C@H]1C(=O)NCC1(N2CCCCC2)CCCCC1 92212821 FYTGUYNVQSJCLT-HZPDHXFCSA-N 308.466 2.716 0 40 DFAB CN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 49993293 JFIJHOZLWRLRFP-HZPDHXFCSA-N 306.837 2.996 0 40 DFAB Cc1ccccc1N1C[C@H](C(=O)NC2CCCCC2)CC1=O 13856499 YRUZGGUXWLSQOY-CQSZACIVSA-N 300.402 2.797 0 40 DFAB C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(Cl)cn2)NC1=O 65589875 SCEFFHBWLVYJQI-QMMMGPOBSA-N 317.732 2.707 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)OCc1cc(C)on1 5355594 CUQGFECOVDPVKQ-UHFFFAOYSA-N 313.313 2.534 0 40 DFAB CSc1nc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1 6408407 OVOGGQJFLCYIMK-UHFFFAOYSA-N 302.403 2.977 0 40 DFAB Cn1c(=O)n(CN2CCC[C@H](C(F)(F)F)C2)c2ccccc21 14182414 UWRTXBKTDXKONC-NSHDSACASA-N 313.323 2.572 0 40 DFAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccccc1 14203612 YNLZOHFOEAWVND-WCQYABFASA-N 317.414 2.725 0 40 DFAB C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C 4648917 JUOJRKSGBSGLNG-RRCSTGOVSA-N 300.402 2.733 0 40 DFAB C[C@@H](NC(=O)COc1ccc2c(c1)OCO2)c1ccc(F)cc1 14738300 DVMYTYWNBKRGII-LLVKDONJSA-N 317.316 2.811 0 40 DFAB CC1CCC(N(C)C(=O)COC(=O)c2ccc(F)cc2N)CC1 18750358 FELUYUVLEHWPBR-UHFFFAOYSA-N 322.380 2.602 0 40 DFAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)c(F)c1 7235241 ICHKORXCVIBPDW-UHFFFAOYSA-N 320.393 2.871 0 40 DFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(Cl)c1)CS2 7652521 LTTXNQNMRRSBSR-SMDDNHRTSA-N 310.806 2.733 0 40 DFAB CCCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 7768706 PYZNRPWXBPMVJJ-UHFFFAOYSA-N 324.446 2.990 0 40 DFAB COc1ccc(Cl)cc1-n1c(C)cc(O)c(C(C)=O)c1=O 16769758 WFCDAJLCELJKPW-UHFFFAOYSA-N 307.733 2.716 0 40 DFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1F 96402723 XKFBSBHQGAEJNV-AWEZNQCLSA-N 317.291 2.617 0 40 DFAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C)CCOCC2)C1 71896661 QJPIESADKGSCJZ-OAHLLOKOSA-N 310.482 2.820 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)N1CC=C(c2ccc(C)cc2)CC1 71804325 CYXOMQRMAOGYSB-SFHVURJKSA-N 312.413 2.622 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCO[C@H]2CCCC[C@H]21 71821191 ZOZGEQPJRRKPKW-SJORKVTESA-N 313.401 2.596 0 40 DFAB Cc1cccc([C@H](C)NC(=O)N[C@@H](C)Cn2ccnc2)c1C 71909187 SPJRZZKHHBQWBK-ZFWWWQNUSA-N 300.406 2.949 0 40 DFAB Cc1ccc2ncc(CN3CCC(O)(C(F)(F)F)CC3)n2c1 97058665 VKGVYQVWEPUCPP-UHFFFAOYSA-N 313.323 2.532 0 40 DFAB Cc1ncccc1C(=O)N(C)c1ncccc1Br 97086473 MTABWQDLPUSIKG-UHFFFAOYSA-N 306.163 2.824 0 40 DFAB COc1cc(C)ccc1CNC(=O)N[C@H](CO)c1ccccc1 97048299 UJHLSPJAKKZBKE-MRXNPFEDSA-N 314.385 2.536 0 40 DFAB Cc1cc(=O)oc2cc(OCCOC[C@H]3CCCO3)ccc12 72295145 WLPWPZWKLIKOGO-CQSZACIVSA-N 304.342 2.676 0 40 DFAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cc[nH]n1 72302517 AZSWYEAWSVXCMA-INIZCTEOSA-N 308.341 2.794 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H]2CCCC[C@H]2C1 95369260 MBRCRJPXTNTZQD-CABCVRRESA-N 301.386 2.997 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c1 79105841 NCSYRAUPAQPOKA-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB CCN(CC)C(=O)CCC(=O)N1CCc2ccc(F)cc2[C@H]1C 84765839 SJGGHPQPDRRBOU-CYBMUJFWSA-N 320.408 2.920 0 40 DFAB C[C@H]1CCO[C@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 84700118 QPDVGROVGOBJFZ-DOTOQJQBSA-N 308.466 2.526 0 40 DFAB Cc1[nH]nc2ncc(NS(=O)(=O)c3ccccc3Cl)cc12 95447941 DPAXAQDEZFYZJY-UHFFFAOYSA-N 322.777 2.721 0 40 DFAB COCCCCNC(=O)c1c(F)cc(Br)cc1F 85219946 JLPGUFNLFIVEKC-UHFFFAOYSA-N 322.149 2.884 0 40 DFAB CC(C)C[C@H](CCO)CNC(=O)N1CCS[C@H](C)[C@H]1C 85414069 SUPRQZMHPPMXJX-MCIONIFRSA-N 302.484 2.567 0 40 DFAB CN(C)C(=O)c1cc(NCc2nnsc2Cl)ccc1F 89118514 NNEJCPNUGQCMND-UHFFFAOYSA-N 314.773 2.645 0 40 DFAB COC(=O)c1csc(NC(=O)c2cc(F)cc3[nH]cnc23)c1 89404444 FWIPLZXULUXORC-UHFFFAOYSA-N 319.317 2.802 0 40 DFAB Cc1cc(C)c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)[nH]1 89568574 BYKOXNGFXIOSCI-ZIAGYGMSSA-N 308.447 2.758 0 40 DFAB COc1ccc(CCN[C@H](C)Cn2cnc(C)c2C)cc1OC 89547606 QLLGNVKEADMFLQ-CYBMUJFWSA-N 317.433 2.738 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2CCOCC(F)(F)F)n1 75131876 MUPZNKDYLPLMQU-AWEZNQCLSA-N 319.371 2.933 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)Oc1ccccc1 409184943 YZLAKQKOUYIGEV-ZFWWWQNUSA-N 304.390 2.812 0 40 DFAB O=C(N1CC[C@H](N2CCCC2)C1)C1(c2ccc(F)cc2)CCC1 89783061 KONBQRYTXIUHNJ-KRWDZBQOSA-N 316.420 2.944 0 40 DFAB O=C(NCCc1cc(F)ccc1F)N[C@@H](CO)c1ccccc1 89826373 DPIXHJMRKMATQF-INIZCTEOSA-N 320.339 2.540 0 40 DFAB Cc1cccc(CN(C)C(=O)NC[C@@H]2CCCN(C)C2)c1C 557599310 JFDARLPJYACMCD-INIZCTEOSA-N 303.450 2.787 0 40 DFAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1ncnc3nc[nH]c13)C2=O 33710289 VYJDLHKJCUOOCT-UQHVFFSPSA-N 302.403 2.839 0 40 DFAB COc1ccc(C(=O)NC(=S)Nc2nc(C)cs2)cc1 408597089 VRCLYLDXBYXJTJ-UHFFFAOYSA-N 307.400 2.587 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cncnc3)C2)c1 72368333 ICQJXNMMTWVEJT-OAHLLOKOSA-N 311.385 2.716 0 40 DFAB O=C(Cn1cccn1)N1CCS[C@@H](c2cccs2)CC1 219504659 MXJSZNHBSVMRHW-CYBMUJFWSA-N 307.444 2.651 0 40 DFAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 77690505 ASBGRNKHFAQQDE-ZJUUUORDSA-N 315.364 2.559 0 40 DFAB CCOc1ccc2cc(S(=O)(=O)NCCCOC)ccc2c1 41095557 AZEZWWNEPISCGC-UHFFFAOYSA-N 323.414 2.553 0 40 DFAB CCn1c(C)nnc1CN[C@H](C)c1noc(-c2ccccc2)n1 195561434 RQOBVUMCGGWNIC-LLVKDONJSA-N 312.377 2.507 0 40 DFAB CN(CCOc1ccc(F)cc1)CCC(=O)NC1CCCCC1 48280209 VSJRFYVVIVQIOD-UHFFFAOYSA-N 322.424 2.975 0 40 DFAB Cc1ccc(C(=O)N2CCc3sc(C(=O)O)cc3C2)cc1 75493382 HFROMFKEYDTWLP-UHFFFAOYSA-N 301.367 2.953 0 40 DFAB c1cncc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)c1 49169698 FQISJANYANZOTM-HNNXBMFYSA-N 307.357 2.516 0 40 DFAB biogenic,in-vitro CC(C)Sc1nnc(NS(=O)(=O)c2cccs2)s1 223153828 FQUOSXSCNPRDNF-UHFFFAOYSA-N 321.474 2.901 0 40 DFAB COC[C@@H](C)NC(=O)C1CCN(C/C=C/c2ccccc2)CC1 199419736 MWXXPRZKHXJIGD-YXMGTMDOSA-N 316.445 2.563 0 40 DFAB C[C@@H]1CCC[C@@H](C)N(C(=O)CCOc2cccc(C(N)=O)c2)C1 81787884 PSFBMPRBFKOPHF-ZIAGYGMSSA-N 318.417 2.592 0 40 DFAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCc1c[nH]c3ccccc13)C2 225519593 OTVCWOINGFTEIB-LBPRGKRZSA-N 308.385 2.621 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2nccs2)C1 96193098 WEHKRFWRFOXMET-OAHLLOKOSA-N 317.370 2.674 0 40 DFAB Cc1ccsc1C(=O)N1CCN([C@H](C)c2ccccn2)CC1 97378947 QNQMIUDUKRNBAE-CQSZACIVSA-N 315.442 2.971 0 40 DFAB O=C(COC[C@@H]1CCCO1)Nc1cc(-c2ccccc2)ns1 96443131 QCRKIHBNNPQUPT-ZDUSSCGKSA-N 318.398 2.944 0 40 DFAB CCOC(=O)/C=C/c1ccc(CNCC(C)(C)SC)n1C 583651712 RBVHZOIEXUBGDY-MDZDMXLPSA-N 310.463 2.833 0 40 DFAB Cc1nccc(CNC(=O)N[C@@H](c2ncc(C)s2)C2CC2)n1 96439147 CIPVBZCYQCISLY-CYBMUJFWSA-N 317.418 2.500 0 40 DFAB COCc1csc(NC(=O)NCCc2ccccc2F)n1 96435563 IAYOYWFTSDVCPL-UHFFFAOYSA-N 309.366 2.793 0 40 DFAB C[C@H]1COCCN1c1ccc(NC(=O)COC2CCCC2)cc1 96414131 GFZXHUOGVINKQW-AWEZNQCLSA-N 318.417 2.809 0 40 DFAB O=C(NCc1ccnnc1)c1ccc(Cc2cccc(F)c2)nc1 257338165 YWFQIQKJNDGDSU-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccs2)ccn1 257325450 WSYZAKHZPFZFLA-LBPRGKRZSA-N 323.443 2.711 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2[nH]ncc2C)C1 257203574 AQSPJGLHXSKUMW-ZDUSSCGKSA-N 316.405 2.672 0 40 DFAB COCc1cccc(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1 257329073 XIHBTJZUDJYLSF-NUJGCVRESA-N 303.402 2.599 0 40 DFAB COc1cccc(F)c1CN1CC[C@H](OC)[C@]2(CCCO2)C1 257215588 CQUFKINFWMDHDW-IRXDYDNUSA-N 309.381 2.604 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1cccc3[nH]ccc13)CC2 257305334 SPMBDAGBLZKJNL-KRWDZBQOSA-N 300.402 2.674 0 40 DFAB COc1ccc(CCNCc2ccnn2C(F)F)cc1OC 256053162 QHUSPRHRFQYXTL-UHFFFAOYSA-N 311.332 2.628 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1Cc1ccc(C)cc1 585275042 UQQIFTJHFWIYBK-IRXDYDNUSA-N 313.401 2.580 0 40 DFAB Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1S(C)(=O)=O 108366575 FZYNQJAZEHVQOK-OBJOEFQTSA-N 307.415 2.773 0 40 DFAB COCCC1(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)CC1 89743449 PSZXINJOZQFHPG-UHFFFAOYSA-N 321.446 2.788 0 40 DFAB CN(Cc1ncc(Cl)n1C)C(=O)c1cc(Cl)ccc1O 95466230 PXZLYVYMRHKDNT-UHFFFAOYSA-N 314.172 2.705 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1F 5251224 NGQLFEFHSVEVCL-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2C)o1 5863450 FEMNXHWQGDNIRI-UHFFFAOYSA-N 319.342 2.747 0 40 DFAB CC(C)(C)NC(=O)CN1CCC(c2ccc3c(c2)OCO3)CC1 12113995 MWUIAEICFPMWSL-UHFFFAOYSA-N 318.417 2.509 0 40 DFAB Cc1nn(C)c(C)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 12971350 ZNLGMHWPOLHIHK-UHFFFAOYSA-N 312.377 2.615 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 13737174 MKLRNASUCHPLJG-DFBGVHRSSA-N 305.374 2.763 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2)c1 14257609 MDYSYWZWEKERMB-UHFFFAOYSA-N 316.382 2.836 0 40 DFAB c1ccc2nc(N3CCC(COc4cnccn4)CC3)cnc2c1 1889184605 QSMCJHAALFQCDP-UHFFFAOYSA-N 321.384 2.715 0 40 DFAB COc1ccc2nc(C(=O)N(C)Cc3cc(C)on3)ccc2c1 25138029 WSKUGCVKFDGJIX-UHFFFAOYSA-N 311.341 2.812 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc(C)oc3C)C2)nc1 238818970 CDVNZFKYLPHFTC-AWEZNQCLSA-N 300.358 2.893 0 40 DFAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 5339176 GMRCKCFKGVUOPC-UHFFFAOYSA-N 322.411 2.540 0 40 DFAB O=C(NC[C@@H]1CCCO1)N(Cc1ccccn1)Cc1ccco1 225552153 VSEPCZFQAQIUOI-HNNXBMFYSA-N 315.373 2.565 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@H](OCCO)c1cccs1 575620288 JHMGLRTZEBGJSW-XVJNWHFHSA-N 317.410 2.628 0 40 DFAB Cc1ccc(-c2ccccc2C[C@H]2CNCCNC2=O)c(C)c1 19132927 RCSMHWAWLWJOCQ-KRWDZBQOSA-N 308.425 2.849 0 40 DFAB CCCCOc1ccc(C(=O)NC[C@](C)(O)CSC)cc1 75157259 QLEGJXJNMWVGJZ-INIZCTEOSA-N 311.447 2.709 0 40 DFAB O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1COc2ccccc2C1 40025670 XSZBBZHMCMZYHQ-OAHLLOKOSA-N 323.396 2.872 0 40 DFAB Nc1cc(CCCNC(=O)c2ccccc2)nn1-c1ccccc1 30585601 MKNXYDMAQYAKTQ-UHFFFAOYSA-N 320.396 2.817 0 40 DFAB CC(C)(C)c1noc(CCC(=O)Nc2nnc(C3CC3)s2)n1 31273755 JSPFLORNECRMDO-UHFFFAOYSA-N 321.406 2.667 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cc(F)cc2cccnc12 31607714 ZSMGWEXOJQYOFK-HUUCEWRRSA-N 310.328 2.825 0 40 DFAB O=C(NCCNc1ncccn1)c1cccc(Cl)c1Cl 40513660 UTTDMKYFJIKHGY-UHFFFAOYSA-N 311.172 2.625 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@H](C)N1CCc2sccc2C1 40509616 WNPMPQMCYXUARU-JTQLQIEISA-N 319.430 2.530 0 40 DFAB Cc1nnc(SCc2cc(=O)oc3cc(O)ccc23)s1 174747 RKPGVVVSHIUTSD-UHFFFAOYSA-N 306.368 2.951 0 40 DFAB NC(=S)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1 2567116 DYBNFQVSNAWYNA-UHFFFAOYSA-N 306.700 2.574 0 40 DFAB Cc1noc(C)c1CNS(=O)(=O)Cc1ccccc1Cl 60379036 MDNICQSOKVUSGP-UHFFFAOYSA-N 314.794 2.564 0 40 DFAB CN(C)c1ccc2c(c1)Cc1cc(N3C(=O)C=CC3=O)ccc1-2 1601781 JQFXZLJLZVPYED-UHFFFAOYSA-N 304.349 2.753 0 40 DFAB COc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1Cl 309574 ZPKVBCCKZCZKEJ-UHFFFAOYSA-N 321.789 2.870 0 40 DFAB O=C(Cc1cccc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 32732060 PLVWUGJFMUZLNE-GOSISDBHSA-N 312.388 2.759 0 40 DFAB COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cn1 6052570 CERJEFOLWZKLTQ-UHFFFAOYSA-N 306.387 2.816 0 40 DFAB CC(C)(C)c1noc(CCC(=O)Nc2cccc3cn[nH]c23)n1 32939393 KFASCDDLKUGJGE-UHFFFAOYSA-N 313.361 2.815 0 40 DFAB CCCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 9233801 NALRZLKCZYTUGX-AWEZNQCLSA-N 318.417 2.745 0 40 DFAB O=C(Cc1coc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@@H]21 53384389 PEOAETILCDHNFL-HOTGVXAUSA-N 312.369 2.664 0 40 DFAB O=C(c1sccc1Br)N1CCO[C@@H]2CCC[C@H]21 53385285 JCFKXVVFVNIORL-NXEZZACHSA-N 316.220 2.904 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1 57008114 FZHTUQAZHCYDCC-UHFFFAOYSA-N 313.325 2.799 0 40 DFAB O=C(c1cccs1)N1CCC(c2nnc3ccccn23)CC1 12390359 UUKVVQXCNILBSA-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccc2)no1 24761672 KRXLNAUBDTWIGK-UHFFFAOYSA-N 302.378 2.579 0 40 DFAB CC(C)Oc1ncc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1Cl 55259105 SVJAJEGYCYKTTI-QWRGUYRKSA-N 312.797 2.772 0 40 DFAB COc1cccc(N2CCN(c3ccnc(C(C)C)n3)CC2)c1 106462247 QKEGCKFTWMBULI-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB CC(C)OCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 106931054 DKFKDHZYHUJITK-FUHWJXTLSA-N 318.461 2.780 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CCO[C@@H]2CCC[C@@H]21 56193849 DHADFKXEZQSHQK-LSDHHAIUSA-N 316.332 2.874 0 40 DFAB CO[C@@H]1CCCC[C@H]1OC(=O)[C@H](C)Cc1c(C)nn(C)c1C 107353588 NNCXOWHBGFXDFN-HFBAOOFYSA-N 308.422 2.716 0 40 DFAB Cc1cnc([C@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)s1 108105975 OKZFVMOCHBDHOZ-FDYHWXHSSA-N 307.419 2.522 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)O 44295407 IRPUGZRSSXYLGR-GFCCVEGCSA-N 305.330 2.953 0 40 DFAB CCC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20110609 LSYCIOYVECMSSZ-VIFPVBQESA-N 318.826 2.630 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccn1 58246146 BEFCPVFTPHKQPX-CYBMUJFWSA-N 310.275 2.564 0 40 DFAB O=C(NCCCn1cccn1)N1CCC[C@@H]1c1ccsc1 44968427 XZYOHZKCZSSMEZ-CQSZACIVSA-N 304.419 2.881 0 40 DFAB O=C(Nc1cccnc1-n1cncn1)[C@@H]1CCCc2ccccc21 58343687 CKPCOPWQMBAQKR-OAHLLOKOSA-N 319.368 2.721 0 40 DFAB Cc1noc(C)c1CNCc1c(C(C)C)nn(C)c1N(C)C 58428927 APIXIZLMOPMTNO-UHFFFAOYSA-N 305.426 2.504 0 40 DFAB Cc1nc(CCNC(=O)N2CCC[C@@H]2c2ccncc2)cs1 45488315 XNJBRALMGNKFHW-OAHLLOKOSA-N 316.430 2.936 0 40 DFAB Cc1cc(N(C)CCOc2ccccc2Cl)n2ncnc2n1 48274517 MZULHKDXADZWHV-UHFFFAOYSA-N 317.780 2.601 0 40 DFAB C[C@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CCO1 48326458 YQLXPNRVRTXLSO-JTQLQIEISA-N 318.377 2.822 0 40 DFAB COc1ccc(CNC(=O)c2ccc(-n3cccn3)cc2)cc1 8346221 RJAZZTAXNYOBNF-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB COc1cc(CNCCC2=CCCCC2)ccc1OCC(N)=O 13723551 FEHFOHWCNRHVLU-UHFFFAOYSA-N 318.417 2.539 0 40 DFAB C[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O 5203987 GXRNVSYRVCFBRP-NSHDSACASA-N 311.316 2.735 0 40 DFAB CCN(c1ccc(C(=O)N[C@H](C)Cn2ccnc2)cc1)C(C)C 69581798 JGKKQKVKIJLECB-OAHLLOKOSA-N 314.433 2.936 0 40 DFAB Cc1nc(CN2CCC[C@@H](NC/C=C/c3ccccc3)C2)no1 69531835 SSRQQHIDSCBVTP-HFTQHKIXSA-N 312.417 2.645 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(F)cc2F)no1 28879126 AGSBSJIXQZSZHF-NXEZZACHSA-N 309.316 2.939 0 40 DFAB Cc1n[nH]cc1CNC(=O)Cc1nc(-c2ccsc2)oc1C 69514416 VMQIKZGEOLBQAG-UHFFFAOYSA-N 316.386 2.602 0 40 DFAB Cc1noc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1 66178726 IEKUYVCPOQWOIN-UHFFFAOYSA-N 314.389 2.904 0 40 DFAB CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1 15081970 DMJOPIJWAAYKKK-LLVKDONJSA-N 303.387 2.987 0 40 DFAB COC(=O)CCS[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 7658371 IJVKIGHSVSMMPB-LLVKDONJSA-N 309.387 2.513 0 40 DFAB O=C(OCc1nc(-c2ccsc2)no1)c1ccccc1O 9883095 SEGXGAYTRQQROR-UHFFFAOYSA-N 302.311 2.861 0 40 DFAB CN(C)C1CN(C(=O)Nc2ccc(SC(F)F)cc2)C1 96014188 FKUNQFCNBBDJJX-UHFFFAOYSA-N 301.362 2.779 0 40 DFAB COc1cc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccc1C 75553351 LQBUQKFBSUZFNU-OAHLLOKOSA-N 313.401 2.675 0 40 DFAB COc1cccc2cc([C@H](C)N[C@H](CO)c3cnn(C)c3)oc12 97034810 OHRUXYDBDISSBK-SMDDNHRTSA-N 315.373 2.559 0 40 DFAB CSCc1ccnc(NC(=O)c2ccc3c(c2)OCCO3)c1 72287928 JHYYIOYDFPVLFB-UHFFFAOYSA-N 316.382 2.968 0 40 DFAB C[C@@H](NC(N)=O)C(=O)Nc1cccc(Sc2ccccc2)c1 71888333 ZHTWFAJIYSBDQT-LLVKDONJSA-N 315.398 2.833 0 40 DFAB CCOC(=O)C1(CNC(=O)Nc2cccc(OC)c2)CCC1 71921029 JLFNOPKNMPXEAL-UHFFFAOYSA-N 306.362 2.550 0 40 DFAB CCN1CCC[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 97160169 VEVXPYYBQYABPY-ZDUSSCGKSA-N 304.463 2.960 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc(C)cn2)C12CCCCC2 76022547 AUTBWPIEYINDSY-JKSUJKDBSA-N 317.433 2.985 0 40 DFAB COC(=O)CN(C)C(=O)c1cccc2c3c([nH]c12)CC[C@H](C)C3 95349994 UJYMDKGOUUSFIS-NSHDSACASA-N 314.385 2.538 0 40 DFAB Cc1nc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)oc1C 95412414 UCHQHRYFJNYXDJ-NHYWBVRUSA-N 317.389 2.603 0 40 DFAB Cc1cc(F)cc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 95439238 NFJFGPRGOUIMLD-UHFFFAOYSA-N 323.321 2.724 0 40 DFAB CCCc1ccc(C(=O)Cn2c(C)nn(C(C)(C)C)c2=O)cc1 95468071 BCJBFLSWBOJXFM-UHFFFAOYSA-N 315.417 2.944 0 40 DFAB CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCSC(C)(C)C)C1 95996334 UFRRAEJQTYEDEV-UONOGXRCSA-N 313.511 2.644 0 40 DFAB O=C(C[C@H]1OCCc2ccccc21)NC[C@@H](O)C1CCCCC1 95959901 LPGZXIBQZPPZFY-QZTJIDSGSA-N 317.429 2.748 0 40 DFAB COCc1cc([C@H](C)N[C@H](C)c2cnn(C)c2)ccc1OC 95968469 BXSFSJCQYHPYDT-QWHCGFSZSA-N 303.406 2.987 0 40 DFAB CC[C@@H](C)[C@](C)(O)CNC(=O)c1cn(C)nc1-c1ccccc1 89286585 XVERZFCHYOPUPW-FZKQIMNGSA-N 315.417 2.614 0 40 DFAB COC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1 78985517 NOEXMIUORZFEDT-CQSZACIVSA-N 309.387 2.562 0 40 DFAB O=C(c1csc(Br)c1)N1CC[C@]2(CCOC2)C1 89764648 FSYZNEXFDPMALO-LBPRGKRZSA-N 316.220 2.763 0 40 DFAB CC(C)[C@H](NC[C@@]1(O)CCOC1)c1ccc(Cl)cc1F 182168451 NWXOYOFKRGENHN-GJZGRUSLSA-N 301.789 2.917 0 40 DFAB CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cc2ccccc2n1C 516537759 FXNGVMMFGFWQSM-QGZVFWFLSA-N 302.374 2.798 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@@H]1c1cccc(Cl)c1 218484777 RRKCNSQBLRZYAH-OWCLPIDISA-N 322.813 2.888 0 40 DFAB N[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)C1 565659882 QFWICWWVIKRBQU-KURKYZTESA-N 300.446 2.985 0 40 DFAB Cc1cc(NC(=O)C2CN(c3nc4ccccc4s3)C2)no1 62023104 WZOAUJAFDOVRPA-UHFFFAOYSA-N 314.370 2.668 0 40 DFAB CN1COc2c(Br)cc(Br)cc2C1 72162128 DHJRZMXVKLNNTF-UHFFFAOYSA-N 306.985 2.993 0 40 DFAB CC[C@]1(C)CN(C(=O)NC[C@H](C)c2c(C)noc2C)CCO1 188228486 PRGNVCIAIRPCLJ-MEDUHNTESA-N 309.410 2.605 0 40 DFAB CCc1sc(C(=O)N2CCN(c3ccncc3)CC2)cc1C 61210451 BLUIDNSKAGFGIP-UHFFFAOYSA-N 315.442 2.976 0 40 DFAB C[C@H]1Cc2ccccc2CN1C(=O)c1cc(O)nc(C2CC2)n1 567364906 YEOCGJLPZLPFOV-NSHDSACASA-N 309.369 2.647 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)[C@@H]1CCOC1 195551590 LYLRSOQZQUDSBH-ZOWXZIJZSA-N 322.380 2.764 0 40 DFAB O=C(CC1CCCC1)NCC(=O)N1CCC=C(c2ccco2)C1 567933300 QWMOQMFIKWGGKS-UHFFFAOYSA-N 316.401 2.592 0 40 DFAB CCO[C@H]1C[C@@](O)(CNC(=O)c2ccccc2Cl)C1(C)C 191789553 KBWZNVCUJWIBJK-XJKSGUPXSA-N 311.809 2.636 0 40 DFAB COC(=O)c1sc(NCc2cccnc2OC)nc1Cl 47255873 KFIJGBIZGBBPBQ-UHFFFAOYSA-N 313.766 2.599 0 40 DFAB CC1(C)CC(=O)Nc2ccc(C(=O)NCCc3ccco3)cc21 222281091 QYTJGCARWFHJQG-UHFFFAOYSA-N 312.369 2.872 0 40 DFAB O=C(C[C@@H]1CCCCO1)N1C[C@@H]2CCCN2Cc2ccccc21 87173758 FXJGTPXAUKQLKC-IRXDYDNUSA-N 314.429 2.957 0 40 DFAB COc1cn(CC(=O)Nc2cccc(SC)c2)c(C)cc1=O 95478812 UJAIKJHOYHGEBT-UHFFFAOYSA-N 318.398 2.526 0 40 DFAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](COCC3CC3)C2)o1 96060236 PYTUJQIHZIFDLB-HNNXBMFYSA-N 315.417 2.848 0 40 DFAB COCCNc1ccccc1CNC(=O)c1ccc(Cl)cn1 96475896 CYGSUFKLBHMSPJ-UHFFFAOYSA-N 319.792 2.723 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N[C@H](CCO)C(C)(C)C)n1 96495894 FKMDLBGOESHAEG-LLVKDONJSA-N 313.829 2.780 0 40 DFAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1cccs1 96062037 HVNFVZODBOMMQY-ZDUSSCGKSA-N 313.430 2.766 0 40 DFAB Cc1cc(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)ccc1F 96134056 LWNAXHAHQIRHFL-HIFRSBDPSA-N 309.381 2.725 0 40 DFAB Cc1cnc(C(C)(C)NC(=O)c2ccc3c(C)cc(O)nc3c2)[nH]1 582365709 HNANEMXIRHOHGM-UHFFFAOYSA-N 324.384 2.945 0 40 DFAB OC[C@H](CNc1cncc(Br)c1)Cc1ccccn1 96455821 ZKMBWJRRHJYHCY-NSHDSACASA-N 322.206 2.502 0 40 DFAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cncs2)n1 257330053 XMPAKVPKXRQGPO-OAHLLOKOSA-N 317.462 2.640 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)o1 41895019 DWTOPZFSKOBIPK-ABAIWWIYSA-N 312.369 2.896 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cccc(OCCO)c1 257261834 LIYQHNIFOBLGCW-KRWDZBQOSA-N 315.417 2.816 0 40 DFAB COc1cc2c(cc1OC)CN(Cc1cn3ccccc3n1)CC2 61759361 PUYXBJQRXLOYAV-UHFFFAOYSA-N 323.396 2.910 0 40 DFAB CCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@H]2C)n1 260732974 DHNKLBUTKAUGGD-LLVKDONJSA-N 323.466 2.560 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCOCc3ccccc32)n1 279572901 VFXMCCCGHYKULX-UHFFFAOYSA-N 315.373 2.689 0 40 DFAB Cc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1F 58179973 AEFQLRNEPXJYRM-UHFFFAOYSA-N 301.277 2.707 0 40 DFAB Cc1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(C)c1 58265569 DZYFSPCNRJDFEL-CYBMUJFWSA-N 314.351 2.917 0 40 DFAB CCc1ccc(C(=O)N(CCC(N)=O)c2cccc(C)c2)o1 69380925 RDRQIKDNGKVROR-UHFFFAOYSA-N 300.358 2.673 0 40 DFAB CNCC1CCN(C(=O)c2ccccc2Br)CC1 63159573 GZQAHVDKGAFGCJ-UHFFFAOYSA-N 311.223 2.521 0 40 DFAB COC(=O)c1cc(C(=O)N2CC3(CC3)c3ccccc32)ccn1 81778681 JDEDIXWTYZNQRK-UHFFFAOYSA-N 308.337 2.560 0 40 DFAB COc1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)n1 506553311 XWDRENURDHWBAV-JQIJEIRASA-N 324.428 2.711 0 40 DFAB CCn1ncc(C2=NO[C@H](C(=O)Nc3ccc(C)cc3)C2)c1C 5053451 XHAVFXMCXMKENE-INIZCTEOSA-N 312.373 2.652 0 40 DFAB O=C(O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 11568002 ZDOBEFUFQDXDFK-UHFFFAOYSA-N 301.321 2.584 0 40 DFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NC1CC1 12787898 XQHMOUUSWJSBSN-UHFFFAOYSA-N 308.790 2.563 0 40 DFAB CCOc1ccccc1-c1nnc(SCC(=O)OC)n1CC 14085536 LYOYYKDNONIEGT-UHFFFAOYSA-N 321.402 2.629 0 40 DFAB COCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19589084 WKFPBRFWDSBBMW-SCTDSRPQSA-N 316.445 2.502 0 40 DFAB CSCSC[C@H](CO)NC(=O)/C=C/c1ccc(C)cc1 1731326 KKGMNRPVIDSMDA-NPQIQWPPSA-N 311.472 2.539 0 40 DFAB C[C@@H](CCn1cccn1)Nc1cc2c(cc1F)NC(=O)CC2 153267786 SBWYCTJQMPDXPC-NSHDSACASA-N 302.353 2.798 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1 1888849707 PXQRSFNMTMPUDC-SNVBAGLBSA-N 315.339 2.841 0 40 DFAB OC[C@]12CCC[C@H]1CN(c1ncnc(-c3ccccc3)c1F)C2 1888868565 IZDCMBPFAIJMTL-KBXCAEBGSA-N 313.376 2.882 0 40 DFAB Cc1cccc(NC(=O)Nc2c(C)nc3ccccn3c2=O)c1 11694602 WGENIDPCHLQBRY-UHFFFAOYSA-N 308.341 2.955 0 40 DFAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)cc1)C1CC1 1775977538 IVDMAWXOEGNLCG-AWEZNQCLSA-N 323.439 2.530 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1F 96405892 UQJBNSIQMMACLL-KNXALSJPSA-N 320.383 2.669 0 40 DFAB NC(=O)[C@@H](OC(=O)CCc1ccsc1)c1ccc(F)cc1 10495808 IWTSOWQKILEJDV-AWEZNQCLSA-N 307.346 2.590 0 40 DFAB Cc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 40018010 VXTBULLVKBHSGW-ZDUSSCGKSA-N 316.426 2.594 0 40 DFAB COc1cc(C(C)=O)ccc1OCCn1c(C)csc1=O 40498060 WASJDTJGFVSRBZ-UHFFFAOYSA-N 307.371 2.508 0 40 DFAB CNc1snc(C)c1C(=O)/N=c1/sc2ccccc2n1C 30808733 RHYQSISWZGNNAA-JQIJEIRASA-N 318.427 2.788 0 40 DFAB COc1cc(NC(=O)c2ccccc2C)c(C(=O)O)cc1OC 138906 LSBXJJSLATZGMT-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB O=C(c1cccc(Br)c1)n1nnc2ccccc21 191035 FDODEPGJMIPNBK-UHFFFAOYSA-N 302.131 2.882 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cn1 29456639 JAYRIRMVBFEFPA-VIFPVBQESA-N 306.753 2.578 0 40 DFAB CC(C)[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O 20722375 MCVZMIKLTSUDCN-INIZCTEOSA-N 309.369 2.701 0 40 DFAB Cc1nnc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)s1 20886003 MSQGACMVVGNDOV-ZDUSSCGKSA-N 319.386 2.657 0 40 DFAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1CCC(c2ccn[nH]2)CC1 101948541 LPNDWLGDJSMJFJ-RYQLBKOJSA-N 322.412 2.637 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccc(C)cn3)c(=O)oc12 418546 PEXNFZFPZDRWQF-UHFFFAOYSA-N 310.309 2.757 0 40 DFAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)o1 565367 KYPBXJMZMDCXIL-GOSISDBHSA-N 313.353 2.804 0 40 DFAB COc1ccc([C@H](C)NC(=O)CCCc2nc(C)no2)cc1F 41687559 MCSUENBFYBUGFV-JTQLQIEISA-N 321.352 2.726 0 40 DFAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)NC1CC1 46882455 OWUWALNUGBDAMC-QMMMGPOBSA-N 309.822 2.986 0 40 DFAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)ccc1C 54662411 HISVQXZJKMRENL-CQSZACIVSA-N 315.373 2.715 0 40 DFAB COc1ccc(CNC(=O)c2ccn(-c3ccccc3)n2)cc1O 54797550 VINXINAVGJAHMD-UHFFFAOYSA-N 323.352 2.517 0 40 DFAB CN(CCCOc1ccc(F)cc1)C(=O)Nc1nncs1 43127505 URLRXTOAKDWEHJ-UHFFFAOYSA-N 310.354 2.610 0 40 DFAB COc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 12564682 CCTGOEWLYSZWEN-UHFFFAOYSA-N 309.251 2.895 0 40 DFAB c1cncc(CN2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@H]32)c1 107257166 VOHAWVZHFZPXLG-QXAKKESOSA-N 324.428 2.568 0 40 DFAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1cccs1 43804383 ZWPWGBNIHRWEBJ-UHFFFAOYSA-N 316.386 2.819 0 40 DFAB O=C(NCCn1ccnc1)N1CCC[C@@H]1CCc1ccccc1 56797641 MTQXTJMTALAJNN-QGZVFWFLSA-N 312.417 2.690 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1ccccc1O 3224815 VYGZGAZDSZLPTR-UHFFFAOYSA-N 317.366 2.910 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355195 CXVNYNWHPWTDOG-CJNGLKHVSA-N 306.381 2.507 0 40 DFAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cc(C)on2)c1 10226696 VPGJNUDTIWNTST-OAHLLOKOSA-N 315.373 2.767 0 40 DFAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCc1ccccc1 44979486 WWUPMZJGWCQSNR-WBVHZDCISA-N 316.445 2.915 0 40 DFAB O=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1 3321864 VXNAXQIRLVKSNY-UHFFFAOYSA-N 323.801 2.804 0 40 DFAB CCOc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 36676923 UJKUUKNEIIXXBL-UHFFFAOYSA-N 310.353 2.981 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccccc3Cl)no2)[C@@H](C)CO1 28984582 FJVJGIUZGGJXFV-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB CC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 12793921 HSKSYVNKRVSVST-INIZCTEOSA-N 307.357 2.795 0 40 DFAB CC[C@@H](C)[C@H](C)NC(=O)c1nn(CC)c(=O)c2ccccc12 48355647 HTIMGZBAIKDFOA-NEPJUHHUSA-N 301.390 2.581 0 40 DFAB Cc1c(NC(=O)[C@@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C 12926385 HHCBSQVNLCHEDW-CQSZACIVSA-N 311.385 2.779 0 40 DFAB O=C(COc1ccccc1)Nc1ccn(CCc2ccncc2)n1 69530750 BGUVGFKZBZPPCC-UHFFFAOYSA-N 322.368 2.538 0 40 DFAB O=C1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)N1 69532958 AQXIWOWYMHEWGZ-CQSZACIVSA-N 320.820 2.547 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)OCC(F)(F)F 38342063 PJLZMICDIHQEOO-SNVBAGLBSA-N 306.284 2.705 0 40 DFAB Cc1csc([C@@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)n1 69648699 NTEFKKANGBKRNG-MRVPVSSYSA-N 322.365 2.572 0 40 DFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC=CCC1 9256580 KPTSQSUDDHATDS-NSHDSACASA-N 319.357 2.785 0 40 DFAB Cc1cccc(C)c1OCC(=O)Oc1cccc(C(=O)O)c1 18192030 QBOKQDSPXBOFRM-UHFFFAOYSA-N 300.310 2.986 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1ccc(F)cc1 69983049 QLWASTUMNLWALK-ROUUACIJSA-N 320.408 2.680 0 40 DFAB Cc1ccc(C)c(OC[C@H](O)CSc2nccn2C)c1C 65474551 MFEYEXABIPUOBB-AWEZNQCLSA-N 306.431 2.877 0 40 DFAB CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccco3)C2)cc1 8774911 GLPBFEBODDVRDO-INIZCTEOSA-N 311.341 2.936 0 40 DFAB CCCNC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 5354157 FMGUUQTWKDUYDY-UHFFFAOYSA-N 308.769 2.941 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)NCCNC2CCCCCC2)c1 65979226 XBCWDVUQTFBZJH-UHFFFAOYSA-N 324.490 2.894 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC[C@@H](O)c1ccccc1Cl 90077216 ZASQSTALCOMQFX-GDBMZVCRSA-N 305.809 2.774 0 40 DFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1 8987200 ZPJYDENATXWCCX-UHFFFAOYSA-N 315.354 2.594 0 40 DFAB COc1ccc(C(C)=O)cc1Cn1cnc2sccc2c1=O 7495068 UOTCEBTZPXCZIL-UHFFFAOYSA-N 314.366 2.718 0 40 DFAB CN(Cc1ccc(Cl)s1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 8040175 VRVXXQWEKLSZQZ-RYUDHWBXSA-N 324.833 2.742 0 40 DFAB C[C@H](NC(=O)CNc1cc(CO)ccc1Cl)c1ccco1 68923533 PKLHGOIHPXHZCE-JTQLQIEISA-N 308.765 2.715 0 40 DFAB COC(=O)c1cc(C(=O)N[C@@]2(C)CCc3ccccc3C2)ccn1 81805207 UIUSASFJEDWKDA-IBGZPJMESA-N 324.380 2.546 0 40 DFAB CC(=O)N1CCC(C(=O)NC[C@@H](C)Sc2ccccc2)CC1 96431720 AKERPAASCQFHGB-CYBMUJFWSA-N 320.458 2.542 0 40 DFAB COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@H](O)C1 71862713 LOAUZYYYNGTQHP-JTQLQIEISA-N 321.402 2.602 0 40 DFAB CN1CCN(C(=O)c2cnc3ccccn23)c2ccc(F)cc21 83881734 OVDDBPQIMUPCCT-UHFFFAOYSA-N 310.332 2.570 0 40 DFAB Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2cccnc2)cc1 71915795 YSPDATIOZFAAMY-CQSZACIVSA-N 304.415 2.642 0 40 DFAB CC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1 97022327 VJFUUYXFAVSJAO-UHFFFAOYSA-N 320.146 2.694 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)C(=O)c1c[nH]c2ccccc12 9730288 QLAFLUQGHKRRHZ-VIFPVBQESA-N 313.386 2.853 0 40 DFAB Cn1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cn1 97057308 NDHPYFYVGROTPN-UHFFFAOYSA-N 301.680 2.927 0 40 DFAB Cc1cccc2[nH]c(CCC(=O)N[C@@H](CO)c3ccccc3)nc12 97047516 SNUMVZMACBQLDU-INIZCTEOSA-N 323.396 2.654 0 40 DFAB O=C(O)Cc1ccc(OCc2nc(-c3ccoc3)no2)cc1 97165985 VXZIQGUGLSVRGW-UHFFFAOYSA-N 300.270 2.536 0 40 DFAB CC(=O)Nc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 97162264 CERXCBGGJUQJCS-UHFFFAOYSA-N 316.323 2.534 0 40 DFAB c1cc(CNC2CCN(C[C@H]3CCOC3)CC2)c2cc[nH]c2c1 76762925 CSUDGNJKODTANJ-OAHLLOKOSA-N 313.445 2.758 0 40 DFAB Cc1c(N)cccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 20194411 UNPDTZKSZRLEAN-UHFFFAOYSA-N 313.376 2.679 0 40 DFAB C[C@H]1CCC[C@H](C(=O)N(C)C2CCN(C3CCOCC3)CC2)C1 95401186 PIOPGPXQOLTIDW-HOTGVXAUSA-N 322.493 2.915 0 40 DFAB COc1cc(CN[C@@H](C)c2c(C)nn(C)c2C)cc(OC)c1 78757997 LZOYFCDDEZUPFC-NSHDSACASA-N 303.406 2.905 0 40 DFAB CC(C)c1nnc(CNC(=O)C(C)(C)c2cccs2)n1C 95467864 UFMIYWZJDDOYTA-UHFFFAOYSA-N 306.435 2.594 0 40 DFAB CCCN(c1cccnc1)S(=O)(=O)c1sccc1OC 95414580 QUVUNQKNODTAKK-UHFFFAOYSA-N 312.416 2.757 0 40 DFAB O=C(NC[C@H](CO)c1ccccc1)c1c(F)cc(F)cc1F 95416039 KIOFUGYWAUJKRV-LLVKDONJSA-N 309.287 2.610 0 40 DFAB CC[C@@H](C)N(CC(=O)O)Cc1nc(CCc2ccccc2)no1 95433459 QNZNPRPTRXHIJX-CYBMUJFWSA-N 317.389 2.540 0 40 DFAB Cc1cc(NC(=O)c2cnn(C)c2)cnc1N1CCCC[C@H]1C 95468540 VDGRGIZSWPDWGF-CYBMUJFWSA-N 313.405 2.755 0 40 DFAB Cc1cc(N)nc(SCCC(=O)N[C@@H](C)c2ccccc2)n1 74024830 PMHXWXVGCKSTBO-LBPRGKRZSA-N 316.430 2.727 0 40 DFAB Cc1c[nH]cc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1=O 95992988 IXVAUFYCJNGCSL-SNVBAGLBSA-N 322.311 2.776 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccnc2)no1 95999382 FYJKHSJROHWCHJ-ZDUSSCGKSA-N 301.350 2.922 0 40 DFAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccoc1 95991296 CWESLCFYZYFHOM-CYBMUJFWSA-N 322.723 2.607 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CCSC2)cc1 79110844 LFHVTPYCIYHEQW-GWCFXTLKSA-N 321.398 2.513 0 40 DFAB CCc1cccc(CC)c1NC(=O)N(C)C[C@H](C)C(=O)NC 89289551 GEWNPQJODOYIRB-LBPRGKRZSA-N 305.422 2.657 0 40 DFAB Clc1cccc([C@H](CNCc2cc[nH]c2)N2CCOCC2)c1 86253015 LFICCJKRTWMFBT-KRWDZBQOSA-N 319.836 2.831 0 40 DFAB C[C@H]1CCN(C(=O)c2ccc(C(N)=O)cc2)[C@H](c2ccco2)C1 75388328 YVOUHQUVGSCASH-WFASDCNBSA-N 312.369 2.992 0 40 DFAB CC(C)N1C(=O)S/C(=C\c2ccccc2OCC(=O)O)C1=O 409056212 FSCDNDXUROGZQN-GHXNOFRVSA-N 321.354 2.595 0 40 DFAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cscn1 521396199 RZRNOZPKXKPCLW-VIFPVBQESA-N 300.380 2.664 0 40 DFAB CN(C)c1ncccc1CNC(=S)Nc1ccc(F)cc1F 36845837 ZGDWJNCIAGNETD-UHFFFAOYSA-N 322.384 2.912 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@@H]1c1cccs1 72239380 SDWFMNLAYAVBDJ-SWLSCSKDSA-N 318.398 2.567 0 40 DFAB C1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 35847976 BXTWNYWZYHIISY-UHFFFAOYSA-N 314.458 2.857 0 40 DFAB CCn1cncc1CN1[C@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 72336969 BHYWDGBZSGDDRN-XJKSGUPXSA-N 322.416 2.516 0 40 DFAB O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]nn1 121753451 UDFSAKOHKYUYGN-CMPLNLGQSA-N 324.306 2.890 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)NC[C@](C)(O)CCC(C)C)c1 75125726 KZSVHEXQBDPWCK-QGZVFWFLSA-N 324.396 2.701 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NCC(=O)O 79410728 VSGWVWGHEYZAEB-CHWSQXEVSA-N 314.426 2.617 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226387889 OAPZOXGLZGZDEE-ZBURPKILSA-N 322.408 2.726 0 40 DFAB C[C@@H](CO)N(C)C(=O)Nc1ccc(Br)c(Cl)c1 195553643 DPAIHSKYDUNYMW-ZETCQYMHSA-N 321.602 2.947 0 40 DFAB Cc1cccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)c1 225140987 OUVXASMDXGSORD-IBGZPJMESA-N 324.424 2.813 0 40 DFAB Cn1cc([C@@H]2OCC[C@H]2CNCc2csc(C3CC3)n2)cn1 84317600 KOWFLXVNEKTSJS-SWLSCSKDSA-N 318.446 2.621 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 47523997 GBTZCDTUNJQZAS-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB CC(=O)N1CC[C@@H](OC(=O)c2cc3cc(C)c(C)cc3o2)C1 97103748 AQIPNXGXXUDORM-CQSZACIVSA-N 301.342 2.827 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCCc1ccncc1C)CO2 95438158 WLYKUWZFQBZVDH-MRXNPFEDSA-N 311.385 2.674 0 40 DFAB O=C1NCCN(Cc2ccnn2C2CCCC2)c2ccccc21 580814490 XFPLLPSCXKLHLJ-UHFFFAOYSA-N 310.401 2.748 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2)cs1 96218817 LLNAUAWLFXPVON-HNNXBMFYSA-N 320.389 2.733 0 40 DFAB COc1ccc(Br)cc1S[C@H]1CCOC1=O 96422252 HMWRYKZQAAUFHL-VIFPVBQESA-N 303.177 2.865 0 40 DFAB Cc1csc(COC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 96442939 GBZICQJOMPHIMU-LLVKDONJSA-N 302.355 2.621 0 40 DFAB Cc1cccc2c1OCCC[C@H]2NCCCO[C@H]1CCOC1 96479322 MKYUCJVOANWNGR-DOTOQJQBSA-N 305.418 2.994 0 40 DFAB Cc1cc2nccc(C3CCN(Cc4nccs4)CC3)n2n1 257208770 BNNRYFYGULFCJE-UHFFFAOYSA-N 313.430 2.874 0 40 DFAB CCCn1nccc1-c1cc([C@H]2CCCN2C(C)=O)nc(C)n1 257263307 LPFPRSWCMVPBND-MRXNPFEDSA-N 313.405 2.742 0 40 DFAB C[C@@H]1CC(c2noc(-c3cccn4c(=O)[nH]nc34)n2)C[C@@H](C)C1 274251015 YOCDDSGIQPIHHZ-UWVGGRQHSA-N 313.361 2.612 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCC2)nc1 90623965 FHHCDUYTASTIEC-UHFFFAOYSA-N 311.341 2.663 0 40 DFAB CC(C)CO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)c1ncon1 585141419 ULOAAZYNAOJRPO-DZGCQCFKSA-N 317.389 2.531 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCOc2ccc3c(c2)CCC3)c1 56354544 HZVYCPOUYPZCRD-UHFFFAOYSA-N 312.369 2.515 0 40 DFAB Cc1ccc(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1 58157947 VRAFYMPFNKZOJY-UHFFFAOYSA-N 319.364 2.927 0 40 DFAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(C)C1Cc2ccccc2C1 69566134 VJDGPBWIDXZTEQ-KDOFPFPSSA-N 317.429 2.586 0 40 DFAB CN(C)C(=O)[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 71844034 QOSBXTHCCPOYPQ-ZDUSSCGKSA-N 312.360 2.588 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cccc2cccnc12 89949068 INDLXHMFAPDPHR-MAUKXSAKSA-N 311.429 2.971 0 40 DFAB Cc1cnc(C(=O)Nc2ccc(Br)c(C)n2)cn1 80721268 QXASXOQMWZESOC-UHFFFAOYSA-N 307.151 2.503 0 40 DFAB COc1cc(C(=O)Nc2ccsc2C(N)=O)ccc1Cl 97022297 ZUOKVOMFDZHYBZ-UHFFFAOYSA-N 310.762 2.761 0 40 DFAB Cc1nc(S)sc1CC(=O)Nc1ccc2c(c1)COC2 92048613 BSJZNWFUECACRS-UHFFFAOYSA-N 306.412 2.952 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 5323978 RZLCKBVOEOKWMA-NSHDSACASA-N 318.348 2.722 0 40 DFAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](O)[C@H]2C)OCO4)cc1 5759191 LNMMITRHKFYKNY-RWRYZHGASA-N 314.337 2.903 0 40 DFAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3cccnc3)[C@@H]1CCC2 12275340 PPIAQAIAJPWDFH-CRAIPNDOSA-N 314.385 2.586 0 40 DFAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc(=O)o1 206966886 FOXGXYPLKFYQIV-GFCCVEGCSA-N 319.382 2.612 0 40 DFAB O=C(C[C@H](NC1CCCC1)C(=O)O)Nc1cccc(Cl)c1 195671 BEBLJUWEVGBOJE-ZDUSSCGKSA-N 310.781 2.654 0 40 DFAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)[C@@H]1CC=CCC1 225571839 AWQKRCUJEWYJEV-HZPDHXFCSA-N 308.491 2.676 0 40 DFAB O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8981432 FQQNSKMFAXQWQP-AWEZNQCLSA-N 318.392 2.875 0 40 DFAB O=C(CC1CCCC1)NCCOc1ccc(-c2ccco2)nn1 9853183 OPAPWKRMRLANHN-UHFFFAOYSA-N 315.373 2.812 0 40 DFAB CC(C)(C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 3406479 ZJGBWVVZLMOYOK-UHFFFAOYSA-N 315.369 2.575 0 40 DFAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC(F)(F)C2)c1 1889103533 DDQLERCKJXISRI-PBWFPOADSA-N 309.360 2.931 0 40 DFAB CC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995310 NAXZJCMWCKAMRI-UHFFFAOYSA-N 302.296 2.738 0 40 DFAB CC(C)(C)c1cc(CCC(=O)NCCN)cc(C(C)(C)C)c1O 2023788 BAPROVDXKNPHAM-UHFFFAOYSA-N 320.477 2.995 0 40 DFAB c1cncc(CSc2nnc3ccc(-c4cccnc4)nn23)c1 4273135 CZDIANXHNHKCDM-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)N3CCCCCC3)CC2=O)cc1 5123312 JITHRFNPGCBOKX-HNNXBMFYSA-N 315.417 2.686 0 40 DFAB CC(C)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055729897 ZMIKPYZRUNNYFT-QGPMSJSTSA-N 317.433 2.688 0 40 DFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cccs1 1158257 LYCIENRGSWHSFM-LBPRGKRZSA-N 322.411 2.571 0 40 DFAB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1Cc1ccco1 40159835 CNVSSNVOBOWJSM-OAHLLOKOSA-N 324.380 2.608 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)s3)[nH]n2)CCO1 30596783 HONKOPJPFNEWML-LLVKDONJSA-N 305.403 2.698 0 40 DFAB O=C(CCCn1cccn1)N[C@@H]1CCOc2c(Cl)cccc21 50341861 JESITWBMLDJPOX-CQSZACIVSA-N 319.792 2.957 0 40 DFAB O=C(NCc1cccnc1)c1ccccc1OC[C@@H]1CCCO1 40489345 PMYSMXWWLCQVJQ-HNNXBMFYSA-N 312.369 2.569 0 40 DFAB C[C@@H](CO)NC(=O)Nc1ccc(Br)cc1Cl 40526597 HVRWEBADFKCZTN-LURJTMIESA-N 307.575 2.605 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 29701 JUNFBZVADGAMRE-UHFFFAOYSA-N 310.419 2.646 0 40 DFAB COC(=O)c1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)c(C)c1 101354124 CWOOAPYVNQTJBG-CHWSQXEVSA-N 302.374 2.901 0 40 DFAB O=C(Nc1cccc(OC(=O)c2cccnc2)c1)c1cccnc1 241588 KCLZLIYLPWKBOW-UHFFFAOYSA-N 319.320 2.948 0 40 DFAB CCOc1ccc2nc(SCCN3CCOC3=O)[nH]c2c1 29298210 IKWZLIQWQNSLLM-UHFFFAOYSA-N 307.375 2.506 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 365068 NDZZYDJWZQRTHD-UHFFFAOYSA-N 313.762 2.855 0 40 DFAB Cc1cc2c(c(=O)o1)[C@@]1(C)C[C@@](C)(O2)c2c(cc(C)oc2=O)O1 1610040 GTVSICGTZWWFFM-IAGOWNOFSA-N 316.309 2.515 0 40 DFAB Cc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C 3482067 FRAPJYCTEITOLE-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(F)cc1 3610275 HRBOXZNLQIQQKK-UHFFFAOYSA-N 318.348 2.653 0 40 DFAB CN(C)CCCn1nc(Cc2ccccc2)c2ccccc2c1=O 3632835 DCDHLEUAMOTRGE-UHFFFAOYSA-N 321.424 2.939 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 6067658 CEMLAYQDMWFPDU-PCMDPWASSA-N 306.446 2.930 0 40 DFAB Cc1nccc(N2CCC(Cc3cccc(C(=O)O)c3)CC2)n1 72165547 VFBCYQXQZNTDBP-UHFFFAOYSA-N 311.385 2.942 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)NCc1ccco1 103141452 BTADFBUICSNRSF-VNHYZAJKSA-N 306.406 2.617 0 40 DFAB Cc1nn(C)c2sc(C(=O)N(C)Cc3ccccn3)cc12 84067969 YVDSSRGMRYYJRH-UHFFFAOYSA-N 300.387 2.610 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)N1CCC[C@@H]1c1ccccc1 22550925 VPXCGGQIDLPUAH-GOSISDBHSA-N 322.408 2.709 0 40 DFAB C/C(=C\C(=O)NCCCc1cnn(C)c1)c1cccc(F)c1 104122759 YCGBMLZEDNUULM-UKTHLTGXSA-N 301.365 2.712 0 40 DFAB O=C(Nn1cnc2ccccc2c1=O)c1cc2ccccc2o1 9741372 CAEFIQIXWKIYJX-UHFFFAOYSA-N 305.293 2.527 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1CC1CC1 46914273 QMDOKYUSKDTAEK-GJZGRUSLSA-N 318.442 2.670 0 40 DFAB O=c1cc(CN2CCCCC2)nc2sc3c(n12)CCCC3 8394429 GQTXDZKMWSPSHQ-UHFFFAOYSA-N 303.431 2.621 0 40 DFAB CCCn1nc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1=O 24026886 CKVXLIVSHVZOEJ-KRWDZBQOSA-N 311.385 2.534 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc[nH]1 47274800 XCCSKBWQXXFBAU-CQSZACIVSA-N 313.357 2.790 0 40 DFAB CCc1nccn1[C@@H]1CCCN(CC(=O)c2cc(C)[nH]c2C)C1 106214323 WYMZPVVKVDBGIT-OAHLLOKOSA-N 314.433 2.910 0 40 DFAB O=C(c1c(F)cccc1F)N1[C@H]2CC[C@H]1c1snnc1C2 100212489 BZFZKNHXLZSBRX-CPCISQLKSA-N 307.325 2.718 0 40 DFAB O[C@@H](COCc1cccs1)Cn1cnc2cc(F)c(F)cc21 25256532 AZDGTAMYAHFOAN-SNVBAGLBSA-N 324.352 2.954 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c(C)c1 59227393 DHOGHIVQCHQHKA-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 108356144 SFOJIBKPGCSSGL-VSSNEEPJSA-N 306.328 2.727 0 40 DFAB CCN(C)C(=O)c1ccc(C)c(I)c1 69456029 BDAMZIUXKRNTJO-UHFFFAOYSA-N 303.143 2.692 0 40 DFAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3ccccc3c1)CCO2 107720087 OEOHTQAKPGZOMM-KURKYZTESA-N 311.381 2.858 0 40 DFAB C[C@@H]1CN(CC2CCN(C(=O)CC(C)(C)C)CC2)C[C@@H](C)O1 69452703 QVFMSTJCILGXCS-HUUCEWRRSA-N 310.482 2.770 0 40 DFAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 58159287 JLLRKIDOKQJLFP-CYBMUJFWSA-N 316.426 2.842 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)Cc2noc3ccccc23)C1 58393874 YGSULESUONTYTJ-CQSZACIVSA-N 315.417 2.607 0 40 DFAB Cc1cc(C(=O)N(CCCc2ccccc2)CCN(C)C)no1 58305386 COXAVTWGLXVWKN-UHFFFAOYSA-N 315.417 2.620 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2c(C)noc2C(C)C)cc1 58342299 KAZSXZHGUJFDOL-UHFFFAOYSA-N 316.357 2.823 0 40 DFAB O=C(NCCc1ccsc1)Nc1nnc(C(F)(F)F)s1 58426513 WYSKEUZWTFJJGF-UHFFFAOYSA-N 322.337 2.983 0 40 DFAB COC(=O)c1ccc(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)o1 45111776 WXEBNAKJJAGDKQ-UHFFFAOYSA-N 318.354 2.572 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)Nc2nnc(C)s2)c1C 58514485 MVIMARIEWGMOBR-UHFFFAOYSA-N 321.406 2.531 0 40 DFAB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13144184 OATADCACUCTNIL-QBPKDAKJSA-N 302.349 2.716 0 40 DFAB COc1ccc(-c2nc(CNC(=O)C3CCCCC3)n[nH]2)cc1 69809712 KVJCICAOGCYZCP-UHFFFAOYSA-N 314.389 2.677 0 40 DFAB CCOc1ccccc1OCCCC(=O)Nc1ccnn1C 65591468 SOJYJHRYYUOKHV-UHFFFAOYSA-N 303.362 2.617 0 40 DFAB NC(=O)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 70710186 ITBUYRSMDIKOJB-AWEZNQCLSA-N 323.396 2.768 0 40 DFAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(F)c(F)c1 5768512 AFXHLFLQECWKRV-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2cccc(F)c2)cc1 7070104 MYGYTJFWCWITOY-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN1c2ccccc2CC[C@H]1C 7217823 OZPRPKLAUVNBSE-GFCCVEGCSA-N 312.417 2.817 0 40 DFAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC(C)(C)C)n1C 7554894 GHEYIEHBCHSWTF-JTQLQIEISA-N 322.434 2.779 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 7549626 UNDRJGSTXSVDCG-ZDUSSCGKSA-N 315.373 2.529 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)on2)cc1 16490347 RKKQFOAOKIHYEK-UHFFFAOYSA-N 302.330 2.983 0 40 DFAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 8234561 KNVKOYUFYFNQRT-AWEZNQCLSA-N 300.402 2.979 0 40 DFAB COc1cc(CNC(=O)[C@H]2CC=CCC2)cc(OC)c1OC 9479288 HBLSHYBEAQFSHN-ZDUSSCGKSA-N 305.374 2.685 0 40 DFAB Cc1ccc(CN(C(=O)CCN2CCCC2=O)C2CC2)cc1C 96418932 KJDDROWQNNLREC-UHFFFAOYSA-N 314.429 2.807 0 40 DFAB O=C(NCC[S@](=O)c1ccccc1)c1cccc(F)c1F 71896471 KNDSCWPFRLMLIJ-OAQYLSRUSA-N 309.337 2.502 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)Cc2cccs2)c1 71865612 TUQXAOIOHSXISP-AWEZNQCLSA-N 303.431 2.877 0 40 DFAB CS(=O)(=O)CCN1CCC[C@H](c2nc3ccccc3s2)C1 71803414 SXWRPAWUENITCN-LBPRGKRZSA-N 324.471 2.520 0 40 DFAB Cc1nccn1CCCC(=O)N[C@H]1CCc2ccc(F)cc21 71883431 NNESOCFRDMIJMP-INIZCTEOSA-N 301.365 2.915 0 40 DFAB C[C@H]1CN(C(=O)NCc2cccnc2)C[C@H](c2ccsc2)O1 89936965 VDHMWURKVAVJMX-SWLSCSKDSA-N 317.414 2.815 0 40 DFAB CNc1ccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)cn1 95399218 HCTCUKAOPLIPLU-UHFFFAOYSA-N 320.356 2.909 0 40 DFAB COCCNC(=O)CN[C@@H]1CCCc2ccc(C(C)C)cc21 95445297 WWPKDRHJHYGQIQ-QGZVFWFLSA-N 304.434 2.540 0 40 DFAB C[C@H](CC(=O)Nc1ccc(F)cc1)NCCOc1cccnc1 95422451 UAMGLRUPKVSKCS-CYBMUJFWSA-N 317.364 2.606 0 40 DFAB CC(C)N(C[C@@H](C)O)C(=O)Nc1nc(-c2cccnc2)cs1 78644451 NJWXFRODPFZMDV-LLVKDONJSA-N 320.418 2.828 0 40 DFAB O=C(CCCn1cccn1)NCc1ncc(-c2cccs2)o1 95962167 DIJQGGBWTYUXEF-UHFFFAOYSA-N 316.386 2.696 0 40 DFAB Cc1nc(C(=O)N(CC(C)C)C2CCCCC2)c(=O)[nH]c1C 95983278 JMKGGJAOYRFTOA-UHFFFAOYSA-N 305.422 2.818 0 40 DFAB COCCc1nsc(N2CCC[C@@H](c3nccs3)C2)n1 95994700 AIHLNUGVZJUTIR-SNVBAGLBSA-N 310.448 2.568 0 40 DFAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(C)on2)cc1 95940160 TYLUTZXOBKIHHI-SNVBAGLBSA-N 302.330 2.587 0 40 DFAB Cc1nc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1 95994094 BMMKINCXTJDRHP-UHFFFAOYSA-N 315.354 2.846 0 40 DFAB Cc1cc(Oc2ccc(NC(=O)c3csnn3)cc2)n[nH]1 89599241 NGIQWDBVUFPPLJ-UHFFFAOYSA-N 301.331 2.614 0 40 DFAB COc1ccccc1N(Cc1ccccc1C)S(C)(=O)=O 408622259 BPWGSOIDHXISPQ-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB COc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 32579251 QIUBJVNTKYKXKC-GLQYFDAESA-N 305.374 2.763 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2cccs2)n1 72240383 OAOQIBMNINKGNH-UHFFFAOYSA-N 318.446 2.965 0 40 DFAB CO[C@H](CNC(=O)Cc1c(C)noc1C)c1ccccc1Cl 121772395 XOZSZBKGFIWMAC-OAHLLOKOSA-N 322.792 2.991 0 40 DFAB O=C(NCc1ccncc1)c1c[nH]c2cc(Cl)ccc2c1=O 31815106 XCVMGSBGYNNHLI-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CC(C)(C)n1nc(COCc2ccccc2)c2c(N)ncnc21 75629427 IOXQKXBQYJDVAU-UHFFFAOYSA-N 311.389 2.880 0 40 DFAB Cc1nnc2sc(-c3ccc(N)c(Br)c3)nn12 132696198 CXERJNAXDNORGM-UHFFFAOYSA-N 310.180 2.506 0 40 DFAB CC(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 81497257 FCMMWDRTLQIKDN-IIAWOOMASA-N 305.422 2.629 0 40 DFAB O=C(Nc1ccccn1)c1ccnc(O[C@@H]2CCSC2)c1 225721208 AHXGSGHPMGWAMT-GFCCVEGCSA-N 301.371 2.613 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 226389463 QZIGTFQURZURKZ-ZXLDYLNASA-N 322.408 2.672 0 40 DFAB O=C(O)c1coc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 571219437 FUSNTKLPPZKXGS-INIZCTEOSA-N 315.369 2.811 0 40 DFAB Cn1cc([C@H]2c3ccccc3C(=O)N2CCO)c2ccccc21 85430411 HFJBPFGAWSNMDP-GOSISDBHSA-N 306.365 2.716 0 40 DFAB CC(C)[C@H](N)c1nc(-c2cc(Br)ccc2O)n[nH]1 95534756 KZKLBHFUHKYPBV-JTQLQIEISA-N 311.183 2.596 0 40 DFAB O=C(Oc1ncn2c(Br)cccc12)C(F)(F)F 95917908 ZBHNOTWAPUTXAH-UHFFFAOYSA-N 309.041 2.565 0 40 DFAB O=C(O)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 91690139 FLKUVCLBMNFVKZ-HNNXBMFYSA-N 302.399 2.696 0 40 DFAB Cc1cccc(C)c1[C@@H](C)NC(=O)c1conc1C(C)(C)N 579731827 OOHBUONHWGBLAY-GFCCVEGCSA-N 301.390 2.976 0 40 DFAB O=C1NCc2ccc(NCc3nnc(-c4cccc(F)c4)o3)cc21 96472177 KJGUISMETIJMRM-UHFFFAOYSA-N 324.315 2.731 0 40 DFAB Cc1ccccc1-c1c(S(C)(=O)=O)sc2[nH]nc(N)c12 96532167 JBBWPDXCIQTBPX-UHFFFAOYSA-N 307.400 2.586 0 40 DFAB CCCc1nnc(NC(=O)NCc2nccn2CC(C)C)s1 96433821 HQUIBSIIJFMYOD-UHFFFAOYSA-N 322.438 2.665 0 40 DFAB CN(Cc1nccn1C)C(=O)/C=C/c1cn(C)c2ccccc12 96430890 BJRGFIMUZKXXKS-CMDGGOBGSA-N 308.385 2.584 0 40 DFAB Cc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCc2occc21 96405744 XMASCPYGJBEZNK-HOTGVXAUSA-N 314.385 2.998 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 249390587 YFATZGGVNKSDQJ-HDMKZQKVSA-N 315.413 2.810 0 40 DFAB O=C1[C@@H](C2CCNCC2)CCCCN1CCc1ccccc1 257222989 DVKBQWZHXJBLDY-GOSISDBHSA-N 300.446 2.857 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 257259936 LASMDGBURSQGKL-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 257281762 OQWXNHFBOKIVPX-LBPRGKRZSA-N 304.419 2.513 0 40 DFAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cscn2)n1 257288718 PVHLLYDPUUMLKQ-HNNXBMFYSA-N 317.462 2.640 0 40 DFAB Cc1nc2cc(NC(=O)c3cc4n(n3)CCCO4)ccc2s1 90626765 KTAAIYVGMPORDK-UHFFFAOYSA-N 314.370 2.836 0 40 DFAB CCCC(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CCO2)C1 575403381 HRPYWGYOGVCWPA-AWEZNQCLSA-N 324.446 2.528 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccoc1C1CC1)c1ccncc1 585123521 CZLPTLOBAIKBPA-AWEZNQCLSA-N 314.341 2.586 0 40 DFAB O[C@@H](CNc1cnc2ccccc2n1)COc1ccc(F)cc1 57149335 FKVRFJFRIFBAOG-ZDUSSCGKSA-N 313.332 2.621 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 5967357 ARNCXQWKBVLVFB-UHFFFAOYSA-N 304.323 2.825 0 40 DFAB CC(C)c1cc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)n(C)n1 12204933 QMYLYCQMAANHJW-GASCZTMLSA-N 320.481 2.641 0 40 DFAB O=C(CNC(=O)NCc1ccccc1)NC1CCCCCCC1 12607653 LPLGUQCRWIGWGK-UHFFFAOYSA-N 317.433 2.715 0 40 DFAB COc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)C)cc1 16453193 DOUISERLTHSIQM-JTQLQIEISA-N 306.391 2.626 0 40 DFAB CC(=O)O[C@@H](CC/C(C)=C/CO[C@@H]1CCCCO1)C(C)(C)O 16983182 FHNUCPDIWSTPBU-LSALWYQZSA-N 314.422 2.959 0 40 DFAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)N4CCCC4)[C@@H]32)Oc2ccccc21 19374558 YUBLAKCRLAIHHY-VVHMCBODSA-N 311.381 2.669 0 40 DFAB CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 19694700 CGQQFYXUQDAYPS-INIZCTEOSA-N 324.428 2.936 0 40 DFAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2ccco2)c1 226323046 QQASOKKPBZLAOU-VOTSOKGWSA-N 316.338 2.504 0 40 DFAB O=C(N[C@H]1CCOC2(CCC2)C1)c1cnc(O)c2ccccc12 530337706 GVSQNIZUWAOKBO-LBPRGKRZSA-N 312.369 2.772 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H]1O 643550617 DCHWFNFGZKYHGR-FRFSOERESA-N 317.385 2.790 0 40 DFAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](OCC2CC2)C1 390830485 LIVKAXDEBRQDML-CQSZACIVSA-N 309.406 2.945 0 40 DFAB COC(=O)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1 6908235 KXGSPKRZXCOUNZ-DHZHZOJOSA-N 306.321 2.880 0 40 DFAB CC(=O)c1c(SCCOc2ccc(F)cc2)nc(=O)[nH]c1C 10915050 OWUVHQPCSYUYLP-UHFFFAOYSA-N 322.361 2.591 0 40 DFAB COC(=O)C(C)(C)NC(=O)CSCc1ccc(Cl)cc1 23152350 KYXOVDSNOOIDAT-UHFFFAOYSA-N 315.822 2.641 0 40 DFAB CC(C)N1CCCC[C@@]2(CN(Cc3ccccc3)CCO2)C1=O 2037981055 SDLXWLOENXMTTP-LJQANCHMSA-N 316.445 2.679 0 40 DFAB O=C(NCc1ccsc1)C(=O)Nc1ccc(F)c(Cl)c1 13724088 ZTLMHDXJHTYAOU-UHFFFAOYSA-N 312.753 2.796 0 40 DFAB c1ccc(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)cc1 2055739130 MDLSUYLPHTXQJU-MRXNPFEDSA-N 311.429 2.918 0 40 DFAB CCc1ccc(N2C(=O)[C@@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1 101144796 KYSYCUKZVAXRIT-HZPDHXFCSA-N 320.352 2.747 0 40 DFAB FC(F)(F)c1cc(N2CC(c3nnc4ccccn34)C2)ccn1 2298212733 NZTAUZTXQVHFFZ-UHFFFAOYSA-N 319.290 2.747 0 40 DFAB O=Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(Cl)cc12 79033924 ASAHJOFVOBGJIX-UHFFFAOYSA-N 320.757 2.739 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)OCO2 40108275 ZYJIEGLFLIZZHX-TZMCWYRMSA-N 305.374 2.740 0 40 DFAB O=C1C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21 20111428 LLSISNWGAFAEJM-MRXNPFEDSA-N 321.380 2.796 0 40 DFAB biogenic COCC(=O)Nc1cc(Br)ccc1Br 40509332 WJXJFFKQMSVIBP-UHFFFAOYSA-N 322.984 2.797 0 40 DFAB Cc1ccccc1NC(=N)Nc1nc(C(F)(F)F)cc(=O)[nH]1 269242 DMFPCFIYSTYNJX-UHFFFAOYSA-N 311.267 2.556 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@@H]2C)c(C)c1 69737969 MBSQFWWFAAWSBC-WHOFXGATSA-N 318.442 2.799 0 40 DFAB CC(C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)O 546230 ALPBCKBBNXIQNJ-JTQLQIEISA-N 320.267 2.816 0 40 DFAB biogenic CCC(=O)NC(=S)Nc1ccc(OC)c(Br)c1 570538 DOTLVDICMJCCIG-UHFFFAOYSA-N 317.208 2.681 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1C 69773629 QJLJASTXYRDUMY-SJORKVTESA-N 303.450 2.824 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)cc1 1358022 CUPCCLNWDKHUFU-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB COc1cc(CNC(=O)Cc2ccc(-n3cccc3)cc2)ccn1 46329056 PXUAFOACRDMCEI-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)NCc1ccc(F)c(Cl)c1 101764580 HRIMGSPHWONLDU-UHFFFAOYSA-N 324.787 2.943 0 40 DFAB CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 380235 HLXSNEPAKDAYKF-UHFFFAOYSA-N 316.382 2.980 0 40 DFAB aggregator COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccccc1 3468086 ZIFSODJCZWGPOO-UHFFFAOYSA-N 319.744 2.971 0 40 DFAB O=C([C@@H]1CCCN1C(=O)Oc1ccccc1)N1CCCCC1 6241310 QUTSFNADYRWMLL-HNNXBMFYSA-N 302.374 2.662 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 2648446 WLTSFUBYDOIQLP-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB CC[C@@H](Sc1nnc2nc(O)c(C)nn12)c1ccc(F)cc1 77936636 RYWLNMOCLKMYHL-LLVKDONJSA-N 319.365 2.916 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1 12021262 RIQCBGXFUZZCKR-NSHDSACASA-N 312.163 2.528 0 40 DFAB CN(C)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cn1 78556726 NTAZJOCXENROBX-ZHACJKMWSA-N 303.387 2.560 0 40 DFAB O=C(CCCOc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 22017706 LQVPVIDQNGQBMI-UHFFFAOYSA-N 311.341 2.654 0 40 DFAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1CCCC1 42182273 HXAUNWOGNSZQIB-UHFFFAOYSA-N 301.365 2.793 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)CSc1ncccn1 53849748 SUQVGUSCFNNZNS-UHFFFAOYSA-N 315.398 2.557 0 40 DFAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nccn2C)c1 23972069 RHRZCVAYMZDGLQ-SNVBAGLBSA-N 321.402 2.557 0 40 DFAB COC(=O)c1cc(CN(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)oc1C 105939681 HIGLLLHNRIDKJT-SLEUVZQESA-N 305.374 2.769 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1scnc1C 89948794 XORZVRHAVPCEGP-JSGCOSHPSA-N 307.463 2.578 0 40 DFAB CCOc1c(Br)cnn(-c2ccc(C)cc2)c1=O 1401956 ZJQFXKQQMKQKCY-UHFFFAOYSA-N 309.163 2.702 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@@]3(O)C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931234 IFRIPYPBJCUNAG-FEZZUXSESA-N 308.462 2.866 0 40 DFAB CCN1CCc2ccc(NC(=O)NC[C@@H](C)C[C@H](C)O)cc21 106915902 GWHWQDAYPUELLE-STQMWFEESA-N 305.422 2.598 0 40 DFAB C[C@@H](NC(=S)NC1CCN(C2CC2)CC1)c1ccccc1 44072652 CGALFGRRFRRZCK-CYBMUJFWSA-N 303.475 2.839 0 40 DFAB Cc1ccc(CNC(=O)c2cn(-c3cccc(F)c3)nn2)cc1 44167888 WRQLRLMNEHKGQL-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Fc1cccc(CN2[C@H]3COC[C@H]2CC(OCC2CC2)C3)c1 107262257 AHHBOLHQVLYYRM-IAGOWNOFSA-N 305.393 2.984 0 40 DFAB CCOc1cc(CNS(=O)(=O)c2ccccc2)ccc1OC 114497742 OGDDXOJPVCHXSU-UHFFFAOYSA-N 321.398 2.572 0 40 DFAB COCc1cccc(C(=O)NCc2ccc(C(=O)OC)cc2)c1 44869324 JFQVVBSWTZSGJI-UHFFFAOYSA-N 313.353 2.550 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1 10273024 SQBWITKKDQXUJW-UHFFFAOYSA-N 324.427 2.563 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 58225094 BGMMQVHBFKULOX-SNVBAGLBSA-N 313.323 2.595 0 40 DFAB Cc1cnc(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nc1 36391078 LZSOUIQHYIWDLW-NSHDSACASA-N 305.378 2.721 0 40 DFAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 10753275 DADZLXVLHNIELG-UHFFFAOYSA-N 323.396 2.938 0 40 DFAB Cc1ccc(C(=O)CCC(=O)NC2CCN(C3CC3)CC2)s1 29092533 BMIYDVDHFNTARX-UHFFFAOYSA-N 320.458 2.762 0 40 DFAB O=C(CCNC(=O)c1ccc(Cl)s1)Nc1ccccn1 48286625 TWDLKGAJOIIXHK-UHFFFAOYSA-N 309.778 2.555 0 40 DFAB Cc1ccc(CNC(=O)NCCCn2nc(C)cc2C)cc1 48365983 MIIMCNFPWYYSOY-UHFFFAOYSA-N 300.406 2.698 0 40 DFAB CN(CC(C)(C)CNC(=O)C1CCCC1)C(=O)C1CCCC1 76094606 AHFNROHUGKNRMQ-UHFFFAOYSA-N 308.466 2.968 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 3551586 XOLXJCOQBOSGBQ-KRWDZBQOSA-N 314.360 2.709 0 40 DFAB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1ccsc1=N 13038448 FQMBKQRNWJCYPJ-UHFFFAOYSA-N 319.430 2.974 0 40 DFAB Cc1ccccc1NC(=O)NCCN(C)C(=O)OC(C)(C)C 69592740 SSKBIGLNGWIXPT-UHFFFAOYSA-N 307.394 2.983 0 40 DFAB O=C(Cc1cccs1)N1CCC(Nc2cccnc2)CC1 69846919 QEZLCSOUDIYADW-UHFFFAOYSA-N 301.415 2.789 0 40 DFAB CCC(CC)(CNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1 69845569 MSGNQYHKFWSVQY-CQSZACIVSA-N 322.836 2.793 0 40 DFAB CCn1c(C)cc(C(=O)Cn2nnc(-c3ccccc3)n2)c1C 5325758 LFSAERCPLHZXJQ-UHFFFAOYSA-N 309.373 2.661 0 40 DFAB COCCNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 14182786 MCSCWFBPSVKZEX-VOTSOKGWSA-N 306.362 2.725 0 40 DFAB Cc1cc(C)cc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 14199789 MEUKDCPMCFEBJV-GASCZTMLSA-N 303.402 2.965 0 40 DFAB Cc1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 18179180 YQPFKHWXSHHUGF-STQMWFEESA-N 304.777 2.882 0 40 DFAB Cc1ccccc1-c1noc(CN2CCC[C@@H]2Cn2cccn2)n1 69949463 QLXDJPSNIQQSBY-OAHLLOKOSA-N 323.400 2.906 0 40 DFAB Fc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)cc1 6507678 MZTNKWZGFGAANB-UHFFFAOYSA-N 322.303 2.578 0 40 DFAB CN(C(=O)CNC(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 67143937 CPELCBMSZJMSQV-AWEZNQCLSA-N 304.390 2.657 0 40 DFAB CC(C)n1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)n1 76183290 LOPHIIVYAPYJQV-UHFFFAOYSA-N 322.416 2.738 0 40 DFAB CC(C)NC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21 8062337 FKQWKORWJHHUAD-UHFFFAOYSA-N 324.380 2.565 0 40 DFAB COc1ccccc1CC(C)(C)C(=O)N1C[C@H](C)[C@@H](N(C)C)C1 78894586 DNPQCCDNFIFDIK-HOCLYGCPSA-N 318.461 2.672 0 40 DFAB Fc1ccc(/C=C/CN2CCN(Cc3ccon3)CC2)cc1 93561067 VPLXMYGDTRHJCD-OWOJBTEDSA-N 301.365 2.645 0 40 DFAB CCSc1nnc(NC(=O)c2ccc(N(C)C)cc2)s1 9338570 OIKMOYQCDQROQB-UHFFFAOYSA-N 308.432 2.968 0 40 DFAB O=C(O)CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 9486519 WOXAVZKTQLQLEU-UHFFFAOYSA-N 310.309 2.699 0 40 DFAB OC[C@H](NCc1noc(-c2ccsc2)n1)c1ccccc1 97081902 WEBBMFBHLOZIEP-ZDUSSCGKSA-N 301.371 2.621 0 40 DFAB CCc1cc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)n(C)n1 96484496 XBNKUOBSGCYBLS-SMDDNHRTSA-N 314.389 2.669 0 40 DFAB Cc1nccn1CCCC(=O)N[C@@H]1CCc2ccc(F)cc21 71883430 NNESOCFRDMIJMP-MRXNPFEDSA-N 301.365 2.915 0 40 DFAB CCN(C(=O)[C@@H](C)[S@@](=O)Cc1cc(C)on1)c1ccccc1 71859252 GPKCXVSLVVZZSL-MCMMXHMISA-N 320.414 2.673 0 40 DFAB Cc1ccc(/C=C/C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)o1 72294720 CHTAPCTYOXRBKS-CSYIPPMGSA-N 300.402 2.544 0 40 DFAB CCOCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C(=O)OC 79066144 CTWDERSZCWEEFR-DZGCQCFKSA-N 320.389 2.686 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)N[C@H](C)COCC(C)C)o1 95398079 UWFSQMRFUAWUEI-UKRRQHHQSA-N 324.421 2.732 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CC1CCCCC1 95458956 UGEXDIDVWQTPGU-MRXNPFEDSA-N 319.449 2.907 0 40 DFAB CCO[C@@H](C)c1noc(CNC(=O)c2cnc(C(C)C)s2)n1 95430957 LUWMRCFDXUBVCQ-VIFPVBQESA-N 324.406 2.677 0 40 DFAB FC(F)(F)COc1ccc(CN2CC[C@@]3(CCOC3)C2)cn1 95422773 VKTGQZKGPYAUJQ-CQSZACIVSA-N 316.323 2.635 0 40 DFAB Cc1ccc(N2CCC[C@H](N3CCC(N(C)C)CC3)C2=O)cc1 95404833 BITKXFJRSPHPIM-SFHVURJKSA-N 315.461 2.516 0 40 DFAB Nc1ccc(CNS(=O)(=O)CC2CCCCC2)c(Cl)c1 95944690 OIFHOWMFISLVEA-UHFFFAOYSA-N 316.854 2.922 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(F)cc1F 95980323 ACENGSMHMCIHFS-CQSZACIVSA-N 321.327 2.518 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)n1cnnn1 61718883 NABLEWMJQOWCSJ-GOEBONIOSA-N 315.421 2.594 0 40 DFAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCC([C@H](C)O)CC2)c1 75141883 TUPZCWCALWXNIC-HNNXBMFYSA-N 317.429 2.886 0 40 DFAB Cn1cc([C@H](NCCc2ccccn2)c2cccc(F)c2)cn1 89755257 NADMVYXAVRRCQD-GOSISDBHSA-N 310.376 2.876 0 40 DFAB CCOc1ncccc1CNC(=O)N[C@@H](C)Cc1ccco1 28417649 LJPMRTPWEVZSKB-LBPRGKRZSA-N 303.362 2.504 0 40 DFAB CCOCc1ccccc1CNC(=O)N1CCO[C@](C)(CC)C1 187775766 LZNCCKQUUYYGBJ-GOSISDBHSA-N 320.433 2.934 0 40 DFAB Cc1ccc(N2C[C@H](c3nc(C4CC4)no3)CC2=O)cc1F 38671088 LGFVGYMNWTYQDT-LLVKDONJSA-N 301.321 2.915 0 40 DFAB CC[C@@H](NC(=O)NCCCc1nc(C)no1)c1nc(C)cs1 78518496 WFHXENIFBUSIJS-LLVKDONJSA-N 323.422 2.526 0 40 DFAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccccn3)C[C@H]21 72392523 HXDLAFXDAJEULD-WDYCEAGBSA-N 309.413 2.515 0 40 DFAB COc1ccc(-c2nnc([C@H]3CCCN(C(C)=O)C3)s2)cc1 36705190 PSNPFUNRHKSZAH-ZDUSSCGKSA-N 317.414 2.940 0 40 DFAB CSC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 77786361 DRARVKVTUSZNHZ-MRVPVSSYSA-N 320.336 2.512 0 40 DFAB CCN1CCN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)CC1 44846450 NCFPOHFAZRGRGR-MRXNPFEDSA-N 304.434 2.543 0 40 DFAB Cc1nccn1-c1ccc([C@H](C)Nc2nccn3cnnc23)cc1 195544035 USFXKKKGTFIWQC-LBPRGKRZSA-N 319.372 2.792 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O 139113262 PAIRYZGKQAXHFI-LZAIMSLLSA-N 305.355 2.675 0 40 DFAB Cc1cnccc1CCNC(=O)Nc1nc(C2CC2)c(C)o1 574375358 AUVIXGWKDMHHRK-UHFFFAOYSA-N 300.362 2.928 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)C1 195531297 CGPMWLIMPVDTEK-KCPJHIHWSA-N 324.494 2.719 0 40 DFAB CC1(C)C[C@]2(NC(=O)N(CCc3cccs3)C2=O)C(C)(C)O1 195572929 RWCPEPNFZBERIL-MRXNPFEDSA-N 322.430 2.559 0 40 DFAB CC(C)n1cc([C@@H](C)Nc2ccc(N3CCOCC3)nc2)cn1 97232170 BIPVTDIFZYHQFC-CQSZACIVSA-N 315.421 2.869 0 40 DFAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(F)cc2Cl)n(C)n1 96491911 SUFNEYQULFNNLF-JTQLQIEISA-N 324.787 2.810 0 40 DFAB Cc1cnc(CCN[C@@H](C)CC(=O)N2CCCCCC2)s1 96478448 BPHSHHKUMNOQGW-ZDUSSCGKSA-N 309.479 2.765 0 40 DFAB c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CC2)n1 96055336 XGSFCOYDGXLJAJ-OFQRWUPVSA-N 308.447 2.549 0 40 DFAB Fc1ccc(Br)c(NCc2nnnn2C2CC2)c1 96462622 YCWVQKQPRXEZPZ-UHFFFAOYSA-N 312.146 2.522 0 40 DFAB O=C(c1ccco1)N1CC2(CCNCC2)c2cc(F)ccc21 96161044 MMLGWRLPKJRDGG-UHFFFAOYSA-N 300.333 2.700 0 40 DFAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 245263542 APMSSFKHMBFNQG-QMCVQRASSA-N 317.502 2.942 0 40 DFAB O=C(NC[C@@H]1CC12CCOCC2)c1cc2cc(F)ccc2[nH]1 431121757 XUMZVVFAYGYTCQ-LBPRGKRZSA-N 302.349 2.854 0 40 DFAB CSC[C@](C)(O)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 245312418 JCUKIVSRZUCMLC-KCQAQPDRSA-N 313.850 2.674 0 40 DFAB O=C(c1ccoc1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 247879883 VGQHIASWKAMBKN-QGZVFWFLSA-N 323.352 2.580 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(Cc2cccc(C(=O)O)c2)C1 257282451 OTVAGQMUWIFBBN-HNNXBMFYSA-N 313.401 2.871 0 40 DFAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCCN2)o1 257267066 MFURJUNCGNAMQU-KGLIPLIRSA-N 320.437 2.984 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257225291 FFQLFERZKAPUHX-GFCCVEGCSA-N 301.415 2.898 0 40 DFAB CCOc1ccc(CN2CCC[C@H]2c2cnccn2)cc1CO 257331211 XRUWYEBTZIDVNK-KRWDZBQOSA-N 313.401 2.705 0 40 DFAB C[C@@]1(C(=O)NCc2ccc(C(=O)O)o2)CCCc2ccccc21 262083805 BMXWRLYKMIYORO-GOSISDBHSA-N 313.353 2.888 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1 58008647 FXYCQEQRMIRBQD-UWVGGRQHSA-N 316.323 2.738 0 40 DFAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](N(C)C)C1 69616940 IBLRAWCAHNHSLG-OLZOCXBDSA-N 309.841 2.693 0 40 DFAB O=C(COC[C@@H]1CCCO1)Nc1cc(Cl)c(Cl)cn1 72530161 AARSRHIGNUMRLE-QMMMGPOBSA-N 305.161 2.523 0 40 DFAB O=C(Nc1ccncc1O)c1ccn(-c2cccc(Cl)c2)n1 95394593 NGPPPDKVSLGIMP-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB COCc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)o1 84637082 BRBFKYQGHYVANI-DOMZBBRYSA-N 303.358 2.668 0 40 DFAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)[C@H](c1ccccc1)C2 18203776 SBDMJDUDXQFJHP-HOCLYGCPSA-N 303.365 2.824 0 40 DFAB O=CN1[C@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 19294342 ZBEGPSITDZQFOO-XJKSGUPXSA-N 322.343 2.753 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)c1Cl 161556317 ALHSOOJRJQQQRK-NSHDSACASA-N 309.797 2.768 0 40 DFAB O=C(CNc1ccccc1N1CCCC1=O)NC1CCCCC1 15361353 VBLMKBUDDZYXFY-UHFFFAOYSA-N 315.417 2.674 0 40 DFAB Fc1cccc(CN2CCC(COc3cnccn3)CC2)c1 1848770366 XGAOMQSBZQGLIX-UHFFFAOYSA-N 301.365 2.907 0 40 DFAB CC(C)C[C@H](CNC(=O)c1cccc(F)c1Cl)C(=O)O 147620194 DJBFCLNNNAMYKT-SECBINFHSA-N 301.745 2.956 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCCN([C@@H]2CCSC2)CC1 1565522052 HVEZNPAPOJDIAQ-OAHLLOKOSA-N 324.877 2.993 0 40 DFAB O=C(c1ccccc1F)N1CCN=C1SCc1cccnc1 4061157 OPLVWFYQCLRJMN-UHFFFAOYSA-N 315.373 2.966 0 40 DFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1cccs1 10256320 GKKSRXMUDHOKOJ-CYBMUJFWSA-N 315.398 2.847 0 40 DFAB c1ccn2c(C3CN(c4nccc5sccc45)C3)nnc2c1 2298229777 CKTQDHAVGUYBSU-UHFFFAOYSA-N 307.382 2.943 0 40 DFAB COC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CCCC2 12870073 FKFPIEWEQDFTON-UHFFFAOYSA-N 320.370 2.962 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)C1CC1 75155277 KELQMIRILSAMKN-KRWDZBQOSA-N 319.401 2.844 0 40 DFAB O=C(/N=c1\sccn1Cc1ccccc1F)c1cccnc1 31089166 CFVIXVZVGYDNIL-MNDPQUGUSA-N 313.357 2.873 0 40 DFAB CCOc1ccc(CNC(=O)/C=C/c2cccnc2)cc1OC 40090833 YZTSGKKTCJEKMK-VQHVLOKHSA-N 312.369 2.819 0 40 DFAB Cc1nnsc1-c1nn2c(-c3ccccc3F)nnc2s1 40266774 RXSZKMCQDXRQTJ-UHFFFAOYSA-N 318.362 2.819 0 40 DFAB O=C(NCc1cccnc1OCC(F)(F)F)C1CCCC1 40509971 JNENYWMJMTZHPY-UHFFFAOYSA-N 302.296 2.829 0 40 DFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 37082940 DTNHRNRRJMTXHL-JTQLQIEISA-N 302.827 2.875 0 40 DFAB COc1ccc2c(c1O)[C@]1(CCN(C)C)CC(=O)CC[C@H]1C=C2 1721261 ZWNYBWZHYOGFEA-AUUYWEPGSA-N 315.413 2.986 0 40 DFAB COCc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 1903854 YQVVXYYYEOFUCI-UHFFFAOYSA-N 321.402 2.791 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 3405237 IRABFSIQQAGQKY-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCCCCC2)cc1 32797104 NJCNJHRKWATMDF-CYBMUJFWSA-N 303.406 2.848 0 40 DFAB COc1ccccc1OCCNC(=O)N[C@@H]1CCCC[C@@H]1C 32862806 KIRMWXBBWIJAKY-UONOGXRCSA-N 306.406 2.952 0 40 DFAB C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](c2ccccc2)O1 89936904 DLRVHPANPOSZRV-LRDDRELGSA-N 311.385 2.501 0 40 DFAB COc1ccc(/C=C/C(=O)NCCCN2CCC(C)CC2)cc1 10540239 WEYKSXNRYCBYMU-RMKNXTFCSA-N 316.445 2.947 0 40 DFAB CCN1CCC[C@H]1CNC(=O)CCCOc1ccccc1C 58087617 XLRKTSUBWYFWQU-INIZCTEOSA-N 304.434 2.755 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(N2CCCC2)c1 41371887 ZIXKQFGOCGYXHQ-UHFFFAOYSA-N 321.402 2.692 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C(C)(C)C)cc1 21937521 MIIWNVYMHFVGMJ-UHFFFAOYSA-N 304.434 2.971 0 40 DFAB Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccn1 75610750 KIGGXGUCZMANKC-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB Nc1nc(SCC(=O)N2CCCCCC2)nc2sccc12 9835859 ATCXAXSIFQKAAD-UHFFFAOYSA-N 322.459 2.768 0 40 DFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3Oc2ccccn2)c(C)o1 107266117 BUAINAXHRMROCW-KMFMINBZSA-N 312.369 2.973 0 40 DFAB O=C(NCc1cc(Br)ccc1F)Nc1cn[nH]c1 46926853 QRDODILJCVJKBV-UHFFFAOYSA-N 313.130 2.633 0 40 DFAB Cn1cc(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)cn1 71284620 IEKKTOUWAJMLIS-UHFFFAOYSA-N 318.312 2.532 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H](C)C(C)C)cn2)n1 43068252 NKHSNRYQBQFYTE-AWEZNQCLSA-N 315.421 2.728 0 40 DFAB O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)c1cccs1 24580396 CNJGCYFRLROGKR-LBPRGKRZSA-N 320.439 2.731 0 40 DFAB CCCCc1nnc(NC(=O)NCCCn2ccnc2C)s1 47350734 BICJVMFIKVOIJT-UHFFFAOYSA-N 322.438 2.597 0 40 DFAB NC(=O)c1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 24515537 FKGNXVAQRIRHDI-KRWDZBQOSA-N 323.396 2.561 0 40 DFAB CCC[C@@]1(C)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 47359747 ALZXJHLKUQPEIA-QGZVFWFLSA-N 313.357 2.952 0 40 DFAB CSc1ncccc1C(=O)Nc1cccc(C(=O)N(C)C)c1 24988370 FRWYCLNLMXMXPJ-UHFFFAOYSA-N 315.398 2.758 0 40 DFAB COCCCNC(=O)Nc1ccc(Br)cc1C 43449179 GCWJQRMUSMGHRN-UHFFFAOYSA-N 301.184 2.916 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccccc2F)CC1 78160987 XRQNHHNDYXBHPH-GLQYFDAESA-N 303.377 2.787 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)/C=C/c1ccco1 107443683 ISHXVBNQBLMUMA-ZBLHKVTASA-N 305.374 2.777 0 40 DFAB CCOc1ccc(C2=C(C)SC3=NS(=O)(=O)CCN32)cc1 3268353 ASTRAJDWAOCFNB-UHFFFAOYSA-N 324.427 2.522 0 40 DFAB CC(C)c1nc(CN2C(=O)c3ccccc3S2(=O)=O)cs1 58142159 BEIIFBMYSQAYHE-UHFFFAOYSA-N 322.411 2.611 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 3208019 WDJDIFVXFRWXCU-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCc1ccccc1 44896097 FJMLDGZTJHHNKD-UHFFFAOYSA-N 305.381 2.774 0 40 DFAB CSC[C@@H](C)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 110604391 IHIPDVICZXLXCL-CHWSQXEVSA-N 308.447 2.849 0 40 DFAB CCc1nnsc1C(=O)N[C@H](C)CCc1ccc(OC)cc1 58282708 WUZYEJDLHRLSCR-LLVKDONJSA-N 319.430 2.860 0 40 DFAB Cc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)c(O)c1 58228461 LJBARNGOZZNMTQ-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB c1coc(-c2cc(CN3CCC[C@H](N4CCCC4)C3)no2)c1 44975500 CAZXFZIIUUQOBR-HNNXBMFYSA-N 301.390 2.995 0 40 DFAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](C)c1ccncc1)C2 69391057 XSLXSWZZJIWZTH-DOMZBBRYSA-N 312.369 2.519 0 40 DFAB O=C(O)c1cc(-c2ccncc2)nc2cc3c(cc12)OCCO3 12941623 NMSIGJQYLPKRRL-UHFFFAOYSA-N 308.293 2.766 0 40 DFAB CC(C)(C)n1cc(CNCc2nncn2-c2ccccc2)cn1 48711643 CSHJZEUEJNYCAY-UHFFFAOYSA-N 310.405 2.509 0 40 DFAB CCCCC(=O)N[C@H](CC(=O)O)c1ccc(OC)c(OC)c1 13257095 RACKYVQWFHDPIX-GFCCVEGCSA-N 309.362 2.526 0 40 DFAB NC(=O)c1ccnc(NCCOc2ccc3ccccc3c2)c1 64337666 DCUZJCZBFBDIMM-UHFFFAOYSA-N 307.353 2.825 0 40 DFAB Cc1cc(C)n(CCNC(=O)c2ccc(C(F)(F)F)cc2)n1 28229004 IDTPEBWNPGEBBI-UHFFFAOYSA-N 311.307 2.949 0 40 DFAB O=C(Nc1ccncc1)c1nnn(-c2ccc(F)cc2)c1C1CC1 69507837 GLPILVSXNUXJGN-UHFFFAOYSA-N 323.331 2.931 0 40 DFAB CCCn1c(SCC(=O)c2ccc(Cl)s2)n[nH]c1=O 6482214 SOXPCJFMMDTBLO-UHFFFAOYSA-N 317.823 2.671 0 40 DFAB CC(C)c1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 14137278 XVFHJFNDVRQWBF-UHFFFAOYSA-N 303.387 2.547 0 40 DFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(F)cc2)c1C 6509185 NGSKJVWRLZSWJO-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1CN1CCC[C@@H]1c1ccccc1 14307755 KKUIXXXQHVHHHM-OAHLLOKOSA-N 313.401 2.646 0 40 DFAB NC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 14710790 GUGALBAACIXJAF-CYBMUJFWSA-N 322.286 2.662 0 40 DFAB CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 18664527 QGXJVWKOPIVDBX-UHFFFAOYSA-N 322.368 2.954 0 40 DFAB C[C@@H](C(=O)O[C@H](C)c1nccs1)n1c(=O)oc2ccccc21 80330006 RYQOZXQDKKNFCW-VHSXEESVSA-N 318.354 2.916 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)s1 7346656 OHTZTEIWOIVKAP-GQCTYLIASA-N 317.370 2.524 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)NCc3ccccc3)c(C)n2n1 7666940 VRNBBXMDYYEODN-UHFFFAOYSA-N 322.412 2.904 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CC2)c(C)c1 71185182 WLUUAERTNUFLEP-CQSZACIVSA-N 304.415 2.553 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1-n1cnnn1 7969547 UEYHXPLUYKGWIN-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](C)c1nc(C)cs1 96014216 MEAHFKVMBQADMS-VIFPVBQESA-N 306.391 2.780 0 40 DFAB C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 87313974 MXJSLVRIFKCTHG-WOPDTQHZSA-N 314.451 2.601 0 40 DFAB Cc1nnc(COC(=O)c2csc(C(C)C)n2)n1C1CC1 97033072 PXRVRJYDEBBAFS-UHFFFAOYSA-N 306.391 2.858 0 40 DFAB O=C1N[C@@H](c2cnn(Cc3ccccc3)c2)Nc2ccccc21 9338959 JIEPCIWMZLOYHI-KRWDZBQOSA-N 304.353 2.786 0 40 DFAB CCC(CC)(CNC(=O)c1cccc2ncccc12)C(=O)O 97020636 OVMMQGSLGHHFRO-UHFFFAOYSA-N 300.358 2.856 0 40 DFAB CC(C)n1cccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97095163 GBYNNVYEVYTVCI-UHFFFAOYSA-N 313.405 2.803 0 40 DFAB CCOc1ccc2c(c1)CN(CCCc1nc(C)no1)CC2 78971126 DOFGCSKWIAEKNO-UHFFFAOYSA-N 301.390 2.768 0 40 DFAB Cc1c([C@@H](NC(=O)[C@H]2COCCO2)C(C)C)oc2ccccc12 71899800 BTGQEMAWZTVILI-CVEARBPZSA-N 317.385 2.970 0 40 DFAB CN(OCc1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O 83855693 XWHAOWAFGKGLIY-QGZVFWFLSA-N 314.360 2.995 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 72235227 VBVAKBBVIJXSQU-SFHVURJKSA-N 324.428 2.861 0 40 DFAB C[C@@H]([C@@H](C)NCc1nc(-c2ccsc2)no1)n1cccn1 72269732 PSYBJNQFHFDRGD-MNOVXSKESA-N 303.391 2.734 0 40 DFAB COc1ccc([C@@H](O)CNCc2c[nH]nc2C(C)(C)C)cc1 97159543 GWOBSLLMFGJBPP-HNNXBMFYSA-N 303.406 2.539 0 40 DFAB CCOC(=O)CCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C(=O)OC 97101204 HVCQZPADCKESHR-SOUVJXGZSA-N 313.438 2.820 0 40 DFAB O=C(Nc1nccs1)N1CCN(c2cc(F)ccc2F)CC1 79020978 PGOCFSFLEONKRF-UHFFFAOYSA-N 324.356 2.775 0 40 DFAB CCc1noc(CC)c1CN1C(=O)N2CCC[C@@]2(CC)C1=O 97232141 LEUBFYFFTWJHCK-INIZCTEOSA-N 305.378 2.506 0 40 DFAB CCN(CC)c1ccc(C(=O)O[C@@H](C)c2nnc(C)o2)c(O)c1 84774012 DMVUKJDGZBXIHO-JTQLQIEISA-N 319.361 2.848 0 40 DFAB O=C(N[C@H](CO)CC1CCCC1)[C@@H]1CSc2ccccc21 95456409 CEVZTNJDEDMCTG-DZGCQCFKSA-N 305.443 2.933 0 40 DFAB CC[C@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)c1noc(C)n1 95427591 GHCTVLVAFLADDR-RISCZKNCSA-N 323.418 2.552 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3ccncc3Cl)CC2)o1 95437753 DEFSONCELIRZAT-UHFFFAOYSA-N 319.792 2.853 0 40 DFAB O=C(Nc1cccnc1N1CCCC1)[C@@H]1OCCc2ccccc21 95432558 NJYFENQIPHCDDG-QGZVFWFLSA-N 323.396 2.934 0 40 DFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N[C@@H]1C=C[C@H](CO)C1 95406654 BBIWLKKEWHGKBD-QWHCGFSZSA-N 315.348 2.675 0 40 DFAB COc1ccsc1S(=O)(=O)N(C)OCc1ccccc1 95465308 YDRLBFMUETUIEN-UHFFFAOYSA-N 313.400 2.509 0 40 DFAB CCO[C@H]1C[C@H](NC2CCN(C(=O)c3ccoc3)CC2)C1(C)C 95422891 IRYWYKTUZDLACW-HOTGVXAUSA-N 320.433 2.677 0 40 DFAB CCc1nccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1 95441076 PEEPVCPEHPDJLN-UHFFFAOYSA-N 313.279 2.983 0 40 DFAB COC(=O)N1CCC[C@H](NCc2cc(F)cc3cccnc23)C1 95415445 PVIOOZIUIPGCGZ-HNNXBMFYSA-N 317.364 2.694 0 40 DFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2cc[nH]c2c1 95953317 DEMAESIGLTUEEA-KRWDZBQOSA-N 320.348 2.820 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@@H](O)c1ccco1 74740245 KNJMEYNOPGEDDH-ZYHUDNBSSA-N 322.336 2.521 0 40 DFAB CN(C)c1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 74809582 IMKLASVFVSHSMK-DLBZAZTESA-N 312.417 2.863 0 40 DFAB CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H]1c1ccc[nH]1 89361394 APISCBGGXRRKCK-IEBWSBKVSA-N 313.445 2.645 0 40 DFAB O=C(Nc1nnn[nH]1)c1ccc(Oc2ccc(F)c(F)c2)cc1 75137553 TWRBUDOZUAONKI-UHFFFAOYSA-N 317.255 2.523 0 40 DFAB C[C@@H](N1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 22873850 CZVLBNHFOMBLQS-QGZVFWFLSA-N 310.441 2.558 0 40 DFAB OCC[C@@H](Nc1ncc(Br)cn1)c1cccs1 77236159 CMAJHSSGNXCTHF-SECBINFHSA-N 314.208 2.836 0 40 DFAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@@H](C)O 72223653 WWRBFORTPAYRAK-CYBMUJFWSA-N 321.421 2.500 0 40 DFAB CC(C)(C)OC(=O)Nc1cc(CO)c(-c2ccncc2)cn1 2362803685 XKDVJHQFJAGHMV-UHFFFAOYSA-N 301.346 2.983 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)no1 44874238 DBUAKTXCTXCCLU-UWVGGRQHSA-N 309.316 2.939 0 40 DFAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1C 225903791 CUFKBUBDTHEWBV-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB C/C(=C\c1ccccc1)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 225752484 XKLSPRCSPIANLS-WYMLVPIESA-N 324.428 2.907 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)c[nH]1 89353782 YMGZWMOMKDOURU-NVXWUHKLSA-N 320.433 2.787 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1cccc(F)c1 224262602 XFJMGDLZICJUFF-UHFFFAOYSA-N 301.325 2.860 0 40 DFAB CC[C@@H](NC(=O)c1cccnc1)c1ccc(OC)c(OC)c1 225432074 JCHVVKZQDJRKOH-CQSZACIVSA-N 300.358 2.980 0 40 DFAB Cc1csc(C(C)(C)NC(=O)[C@H]2CCc3cnc(C)n3C2)n1 570574756 XBGVAYAIWQPPSD-LBPRGKRZSA-N 318.446 2.570 0 40 DFAB Fc1ccc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)cc1 96059747 DQMKMBDCSJGDLQ-KRWDZBQOSA-N 315.392 2.836 0 40 DFAB CC(C)(CNC(=O)CCn1ccccc1=O)Cc1ccccc1 96409357 FOXMBUIKRTVMST-UHFFFAOYSA-N 312.413 2.624 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(Cl)s1 97379514 UPLYONPNVQOUIM-NSHDSACASA-N 310.806 2.954 0 40 DFAB COc1cccc(-c2n[nH]c([C@H](N)c3cccc(OC)c3)n2)c1 95533524 RZOODFLEFLHYFK-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB CC(C)n1nc(Cn2ccnc2)c2c1CN(Cc1ccoc1)C2 96259158 GSLWQIUWGROVHS-UHFFFAOYSA-N 311.389 2.818 0 40 DFAB c1ccc(CCN2CCC(OC[C@H]3CCCCO3)CC2)nc1 96455943 BCHXOQVXDXJUFF-GOSISDBHSA-N 304.434 2.674 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)CCc1nc([C@@H](C)OC)no1 96454372 LVIJCJYYWRGFIS-CHWSQXEVSA-N 309.410 2.891 0 40 DFAB COC[C@@H]1CCCN(C(=O)Cc2c(Cl)cccc2OC)C1 97378968 GMRVOYIHSHZCGL-GFCCVEGCSA-N 311.809 2.776 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2cccc(-c3ccc4c(c3)CCO4)c2)C1 578083732 DEEIRDAMAYBESN-HNNXBMFYSA-N 323.348 2.726 0 40 DFAB CCOC[C@@]12CCC[C@@H]1CN(C(=O)c1ccc(OC)cc1)C2 96109158 WVBUJTLLJWPEPD-QAPCUYQASA-N 303.402 2.974 0 40 DFAB CC(=O)N[C@@H](CC(=O)O)c1ccc(-c2c(C)noc2C)cc1 578884767 RWOCVASJKZJIFL-AWEZNQCLSA-N 302.330 2.610 0 40 DFAB CCOC(=O)[C@H]1CS[C@H](c2ccc(Br)cc2)N1 98072746 FPKPUKIYBVHYPU-GHMZBOCLSA-N 316.220 2.716 0 40 DFAB Cc1cc(CC(=O)N[C@H](C)c2nc3c(s2)CCCC3)no1 96422383 FMIDNHDIASDMPH-SNVBAGLBSA-N 305.403 2.738 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3ccc(CCN)cc32)cc1 96029627 NJYPDRJSXUATCJ-UHFFFAOYSA-N 314.410 2.688 0 40 DFAB C[C@H](NC(=O)NC[C@](C)(O)c1ccco1)c1ccc(F)cc1 96437460 HCZDRWAWOLWZNH-ZBEGNZNMSA-N 306.337 2.687 0 40 DFAB CCc1nnc(NC(=O)N[C@H]2CCC[C@@H](SC)C2)s1 96409702 PYTBVLXLQLMTRR-DTWKUNHWSA-N 300.453 2.896 0 40 DFAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@H]2NCCCC[C@H]2C1 257341249 ZJNPBYMWRRMNET-DZGCQCFKSA-N 315.392 2.911 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)c3cc4ccc(F)cc4[nH]3)C[C@@H]2C1 299850463 HSNAUQASIQVRPF-IMRBUKKESA-N 302.349 2.804 0 40 DFAB CNc1nc([C@H]2CCCN(Cc3cnccn3)C2)cn2cccc12 257327069 WZURUHRNXIVPAI-AWEZNQCLSA-N 322.416 2.546 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260767376 NGYFKOPNESUJHS-JBLDHEPKSA-N 315.822 2.816 0 40 DFAB O=C(O)CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 357432014 DCHXZVSZUZHKGO-WCFLWFBJSA-N 321.323 2.590 0 40 DFAB C[C@@H]1CCCN(C(C)(C)CNC(=O)c2n[nH]c3ccccc23)C1 53392502 CIKBTAGKBHLBMM-CYBMUJFWSA-N 314.433 2.803 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)C2CCCCC2)c(OC)c1 70636829 LMXFLWXLCZFCRW-HNNXBMFYSA-N 322.405 2.767 0 40 DFAB NC(=O)c1cccc2nc(-c3ccc([C]4CCCN4)cc3F)[nH]c12 1560410204 KEQVPXCLJKZACU-UHFFFAOYSA-N 323.351 2.731 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 5183947 RQIGRRHDBLNOAJ-UHFFFAOYSA-N 306.724 2.734 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)c3ccccc3C)CC2=O)cc1 5193601 ZLJWFMDTILECND-OAHLLOKOSA-N 308.381 2.839 0 40 DFAB CC1(C)[C@H]2CC=C(COC[C@@H](O)CNCc3ccccn3)[C@@H]1C2 13037814 VJMNNNJDUNTRJC-SZMVWBNQSA-N 316.445 2.541 0 40 DFAB CCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccccc2F)C1 19874650 VWIKISKIHIEPQJ-UHFFFAOYSA-N 320.393 2.629 0 40 DFAB Nc1cc(C(=O)O)cc(Br)c1OC(F)(F)F 258830344 FUNMEBQYPPCFLT-UHFFFAOYSA-N 300.030 2.628 0 40 DFAB Cc1cc(N)nc(SCc2nc(-c3ccsc3)no2)n1 8528987 UKXXGJRNBLAZBZ-UHFFFAOYSA-N 305.388 2.771 0 40 DFAB Cc1cc(C(=O)N2CCC(c3nnc(C4CC4)s3)CC2)no1 36705315 YJHGMPGHYQIJSD-UHFFFAOYSA-N 318.402 2.732 0 40 DFAB Cc1ccc([C@H]2CN(c3ncnc4cnccc34)CCO2)cc1 1776002016 YNZSTFNGSUGXAX-QGZVFWFLSA-N 306.369 2.911 0 40 DFAB Cc1cnc(Nc2cccc(C3CCN(CCO)CC3)n2)s1 2037836110 QXHLIKYJKPMRSJ-UHFFFAOYSA-N 318.446 2.762 0 40 DFAB Cc1ccc([C@@H](CNS(=O)(=O)c2cccs2)N(C)C)cc1 10335052 FOOFOGQZWXEPSD-CQSZACIVSA-N 324.471 2.638 0 40 DFAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1 40506347 WUKPEPKMNVGWSC-DOTOQJQBSA-N 316.445 2.801 0 40 DFAB CCc1nccn1S(=O)(=O)c1cccc(Cl)c1Cl 297195 KFVYZANZIARCBD-UHFFFAOYSA-N 305.186 2.989 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 44289 WMSZPXUVLICTQP-UHFFFAOYSA-N 320.352 2.925 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCCc3ccccc31)C2 69703054 CSOUJBVDNVZNNE-MRXNPFEDSA-N 324.428 2.864 0 40 DFAB O=C(NCCSCc1ccco1)c1n[nH]c2ccccc12 7738440 NNBOQPCUWRKNPW-UHFFFAOYSA-N 301.371 2.819 0 40 DFAB CC(C)(C)C(=O)C[C@@]1(O)C(=O)Nc2cccc(C(F)(F)F)c21 1702470 XYCSHLMPQCCUOZ-AWEZNQCLSA-N 315.291 2.850 0 40 DFAB CN(C)c1ncccc1NC(=O)C[C@@H]1OCCc2ccsc21 69742400 ZPVPUGJWWJIVKQ-ZDUSSCGKSA-N 317.414 2.852 0 40 DFAB COCCSc1nnc(NC(=O)c2ccccc2C)s1 4510404 XVCWARFOSYFBFU-UHFFFAOYSA-N 309.416 2.837 0 40 DFAB COc1ccc(C(=O)CSc2nnc(C3CC3)n2C)cc1 416677 YEDVMPRHGMOUKM-UHFFFAOYSA-N 303.387 2.676 0 40 DFAB COc1cc(OC)c(-c2nc(-c3cccnc3)no2)cc1OC 496489 CRCINQYKSHBIPE-UHFFFAOYSA-N 313.313 2.824 0 40 DFAB O=C(Nc1ccc(OC(F)F)cc1)c1cnn2cccnc12 32908832 LNINLMFSGWPFAX-UHFFFAOYSA-N 304.256 2.583 0 40 DFAB COCc1cccc(C(=O)NCCOc2cccc(F)c2)c1 32914643 PIDYMKOZPVPJHI-UHFFFAOYSA-N 303.333 2.781 0 40 DFAB CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102681573 AXZPONYXQRJBMO-MJVIPROJSA-N 323.389 2.521 0 40 DFAB COc1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC 519717 WVOKKZCXBMAZKV-INIZCTEOSA-N 315.325 2.994 0 40 DFAB biogenic COc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1 22028134 SWCLJAWBLUNBCT-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@H]2C=C[C@H]1C2 100633863 OVPFRCGBPWBEEM-XSLAGTTESA-N 323.392 2.825 0 40 DFAB COc1ccc(CNC(=O)c2c(Cl)nc3ccccn23)cc1 47240733 OCUJNMCAPHVJBO-UHFFFAOYSA-N 315.760 2.926 0 40 DFAB CCN(CC)C(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 54009438 IEDDWWJGVISQGW-HNNXBMFYSA-N 316.405 2.570 0 40 DFAB Cc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1F 24152633 QIHXGRXNLUNGHX-UHFFFAOYSA-N 305.378 2.831 0 40 DFAB CC(C)CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 54994675 ZTUJOZUDDCZQCU-ZDUSSCGKSA-N 310.467 2.805 0 40 DFAB COC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1C 55876679 SHBUYOFJMPBTKO-UHFFFAOYSA-N 304.390 2.642 0 40 DFAB Cn1nc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O 3222613 DDRQPVRJOCNSOO-UHFFFAOYSA-N 313.744 2.839 0 40 DFAB COC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 1926391 LZZXQFKPAFECOH-UHFFFAOYSA-N 319.316 2.537 0 40 DFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2C)cc1 2072715 QVLZICHLYVGBSH-UHFFFAOYSA-N 305.355 2.721 0 40 DFAB O=C(NCC1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 58230439 YZYRWPDRBIVSEK-MRXNPFEDSA-N 313.405 2.509 0 40 DFAB Cc1ccc(F)cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7970702 SZQUYEBIYNWUTN-WFASDCNBSA-N 308.378 2.527 0 40 DFAB C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccn1 44909894 OPMWJCCSHNRSQR-OCCSQVGLSA-N 318.446 2.806 0 40 DFAB COc1ccc(CNC(=O)CNc2ccccc2C)cc1OC 68823149 NOSHIUCBDCTRTF-UHFFFAOYSA-N 314.385 2.741 0 40 DFAB COc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)c(C)n1 91051867 CKUCBIVKRSGFPJ-UHFFFAOYSA-N 312.416 2.878 0 40 DFAB CCc1cc(C(=O)Nc2cc(Br)ccc2O)no1 20191957 HWMIRQZRZGKHFB-UHFFFAOYSA-N 311.135 2.957 0 40 DFAB Cc1c(C(=O)O)nnn1-c1cc(C(F)(F)F)ccc1Cl 49915786 XFKPFBPCFUAPMK-UHFFFAOYSA-N 305.643 2.946 0 40 DFAB in-vitro CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 4307424 IRHKVEQLGNPGCY-BENRWUELSA-N 322.386 2.563 0 40 DFAB Cn1cc(CCC(=O)NCCCc2ccc(Cl)cc2)cn1 69486676 FKZUHGATSFZOED-UHFFFAOYSA-N 305.809 2.755 0 40 DFAB CC(C)CN(Cc1nc(O)c2cnn(C)c2n1)C1CCCCC1 65423000 RSJFZEMASPOCIF-UHFFFAOYSA-N 317.437 2.860 0 40 DFAB CC(C)n1cnnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 4407963 ZBQHBHPEMZDUPF-JTQLQIEISA-N 315.402 2.949 0 40 DFAB O=C([C@H]1CSCN1)N1CCc2cc(Cl)cc(Cl)c2C1 119665906 CMOIVGOZIYKCHF-GFCCVEGCSA-N 317.241 2.541 0 40 DFAB O=C(OCC(=O)c1ccc[nH]1)c1cccc(Br)c1 6945678 JAUGPPZQTIYAKU-UHFFFAOYSA-N 308.131 2.817 0 40 DFAB Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 15243807 YHLNKHFHDIZZRW-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB Nc1c(-c2ccccc2)nsc1C(=O)NCc1ccncc1 67334710 KOKLYYWFGSCQJT-UHFFFAOYSA-N 310.382 2.717 0 40 DFAB CN(C(=O)[C@@H](O)c1cccc(Cl)c1)C1Cc2ccccc2C1 67786061 NCLLRHGQIGWHMX-KRWDZBQOSA-N 315.800 2.999 0 40 DFAB COc1cc(OC)c(CNC(=O)N2CCCC[C@H]2C)c(OC)c1 69663407 WFVKLQAASNORRL-GFCCVEGCSA-N 322.405 2.796 0 40 DFAB CCN(C(=O)[C@@H](C)Sc1nnc(N)s1)C1CCCCC1 7535875 RDOSPYFTTQDQKT-SECBINFHSA-N 314.480 2.782 0 40 DFAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccn1 25406005 SNUGEZLPVPLAIN-DZGCQCFKSA-N 323.396 2.850 0 40 DFAB O=C(NCc1nnc(C2CC2)n1C1CC1)C1CCC(F)(F)CC1 97095040 YVHKDAPZLUURCG-UHFFFAOYSA-N 324.375 2.932 0 40 DFAB Cc1cc(Br)c(S(=O)(=O)NC(C)C)cc1C 9062030 DJIDUEKAJXQTRP-UHFFFAOYSA-N 306.225 2.753 0 40 DFAB Cc1cnn(CCC(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 72298767 RZYZADPNINPKGO-AWEZNQCLSA-N 318.446 2.753 0 40 DFAB O=C(NCc1ccccc1Cl)c1nc(-c2cccnc2)no1 9405775 RHQXPWNHKJYMGP-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 97161967 WHLPXMIONBUQDM-MGPQQGTHSA-N 313.467 2.554 0 40 DFAB Cc1noc(C)c1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 71899759 UMILRCXDPFVHBI-CYBMUJFWSA-N 321.283 2.701 0 40 DFAB COC(=O)c1cc(F)ccc1CN(C[C@H]1CCOC1)C1CC1 83895644 KTQILCGVDYORNB-GFCCVEGCSA-N 307.365 2.613 0 40 DFAB CCN(C(=O)N1CCOC[C@H]1CC(=O)c1cccs1)C(C)C 97144763 HHTHOOJYYAMCNM-CYBMUJFWSA-N 324.446 2.872 0 40 DFAB Cn1cc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 97203182 NJUVTTHXAYFOSW-UHFFFAOYSA-N 313.401 2.571 0 40 DFAB OCC1(NCc2cnc(-c3ccsc3)s2)CCOCC1 84662927 JYAHFRHWYHCKHB-UHFFFAOYSA-N 310.444 2.503 0 40 DFAB Cc1cnc([C@H](C)NC(=O)c2cc(-c3cccs3)n[nH]2)o1 95466435 IRNHKVORHIPSOU-VIFPVBQESA-N 302.359 2.926 0 40 DFAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN1C(=O)C1CC1 73720529 NBAHHMNYYCKQEQ-DLBZAZTESA-N 312.413 2.581 0 40 DFAB O=C(NCc1ncc(-c2ccccc2)o1)C(F)(F)C1(O)CCC1 95978301 NDAMYUFSXWQTNZ-UHFFFAOYSA-N 322.311 2.508 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1c1nccs1 95949143 QSYDNZKVMARTII-SNVBAGLBSA-N 320.443 2.696 0 40 DFAB c1cnc(-n2cccn2)c(NCc2ccc(N3CCCC3)nc2)c1 95939357 PQUSGOLWEYOLKC-UHFFFAOYSA-N 320.400 2.875 0 40 DFAB Cc1noc(CCNC(=O)c2cccc(C(F)(F)F)c2F)n1 89721136 RDTXTIAXNUQPLO-UHFFFAOYSA-N 317.242 2.508 0 40 DFAB O=C(NCCc1ccc(F)cc1)c1ccn(-c2ccccc2)n1 32659671 IUAGMSOIIKAIIZ-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB CC(C)COCCC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 32253971 YXEFKOFCEFVSNR-UHFFFAOYSA-N 322.380 2.954 0 40 DFAB Cc1cc(C(=O)N[C@@H](C(C)C)C2(CO)CCC2)nn1C(F)F 517172346 JQYAWQSVQLQYCJ-LBPRGKRZSA-N 315.364 2.504 0 40 DFAB COC1=CCC2=C(CCN[C@@H]2Cc2ccc(OC)c(O)c2)C1 39386788 RGMXKRONJUYMJY-MRXNPFEDSA-N 301.386 2.926 0 40 DFAB biogenic,in-vitro O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1COCCO1 79093418 BYINULVCIDDAAY-RYUDHWBXSA-N 316.184 2.512 0 40 DFAB Cc1occc1[S@@](=O)CC(=O)N1c2ccccc2C[C@H]1C 189657779 JXOOXSNQUHRDFB-FIKIJFGZSA-N 303.383 2.673 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cn1 72330216 LNPOCNZUDAEEJP-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)NCc2ccccc2F)n1 71195385 GUUFQRMCZHYNDV-UHFFFAOYSA-N 316.380 2.700 0 40 DFAB COc1ccccc1N1C(=O)C[C@H](Nc2ccccc2C)C1=O 36635587 UALPPKKOUOQNOS-AWEZNQCLSA-N 310.353 2.748 0 40 DFAB COC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1 35154049 BIBGLZBNWCFXMS-UHFFFAOYSA-N 309.793 2.684 0 40 DFAB COC[C@@](C)(O)CNC(=O)c1ccc(-c2ccsc2)cc1 225620191 TZARCNZDTKBXFP-INIZCTEOSA-N 305.399 2.542 0 40 DFAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccon2)cc1 81328734 YYYSGIWRMLRKIV-INIZCTEOSA-N 314.385 2.847 0 40 DFAB COc1ccc(N2CC(Nc3ccc(C(=O)O)cc3)=CC2=O)cc1 227163174 DOJYGEVSCZUSHR-UHFFFAOYSA-N 324.336 2.736 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 45165833 YDFLGNWMUDLZNY-UHFFFAOYSA-N 314.341 2.529 0 40 DFAB Cc1noc(C)c1C(=O)NCC[C@@H](O)c1cccc(Cl)c1 225610775 GXJSWIKPEXSCBO-CYBMUJFWSA-N 308.765 2.798 0 40 DFAB Cc1cccc(-c2noc(CN(C)C(=O)c3cccnc3)n2)c1 225433317 WIRCHIMMVHEXEC-UHFFFAOYSA-N 308.341 2.712 0 40 DFAB CC[C@H](O)CN[C@H](C)c1ccc(Br)cc1OC 190434980 RIWPJSSTRWXAGI-KOLCDFICSA-N 302.212 2.879 0 40 DFAB O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCOC2(CCCC2)C1 89327640 JLMTWFZDVCWOPM-OAHLLOKOSA-N 323.820 2.935 0 40 DFAB Cc1ccc(C)c([C@@H](O)COc2cccc(S(C)(=O)=O)c2)c1 95439095 AGOIHPFDRSHTNX-KRWDZBQOSA-N 320.410 2.819 0 40 DFAB Cc1ccnc(NC[C@@H]2CCN(Cc3c(C)noc3C)C2)c1 97200683 LSFWEUAHTZFWEW-HNNXBMFYSA-N 300.406 2.929 0 40 DFAB c1ccc(CN2CCOC3(CCN(CC4CCC4)CC3)C2)nc1 96158844 HVNHXGPVRPURQT-UHFFFAOYSA-N 315.461 2.549 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccs1)C2 96039210 SFBFXFDNYUCRPN-HEDFYIJFSA-N 321.442 2.805 0 40 DFAB CCCCSCCC(=O)N1CCc2ccccc2[C@@H]1C(N)=O 96417019 PXGLHWXUAOQAJL-MRXNPFEDSA-N 320.458 2.521 0 40 DFAB Cc1ocnc1CNC(=O)NCc1cccc(NC(C)C)c1 96491916 LSLNJPCGOCKDGM-UHFFFAOYSA-N 302.378 2.803 0 40 DFAB C1CO[C@H]2CCN(CC3CCOCC3)C[C@]2(COCC2CC2)C1 96057030 DVKOINZEOMRZBI-OALUTQOASA-N 323.477 2.711 0 40 DFAB CCCn1nc(C)c(C(=O)OCC(=O)NC2CCCCC2)c1C 96470532 SIZSHWAVKVIGGI-UHFFFAOYSA-N 321.421 2.516 0 40 DFAB C[C@@H](CC(=O)N[C@H](C)C(=O)O)c1cccc(C(F)(F)F)c1 237630605 NQLRNKFPZKFNQM-DTWKUNHWSA-N 303.280 2.788 0 40 DFAB O=C(C1CC=CC1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039929 MRILIUKONVMYQA-MJGOQNOKSA-N 319.445 2.777 0 40 DFAB COc1ccc(C[C@H]2CN(C(C)=O)CC[C@H]2OCC2CC2)cc1 96110311 SGYHXPRPDSWHQR-PKOBYXMFSA-N 317.429 2.901 0 40 DFAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccccc3)nn12 95479387 JIEYICOSMKVPMM-UHFFFAOYSA-N 316.777 2.907 0 40 DFAB CO[C@H](C)CS(=O)(=O)Nc1c(F)cc(Cl)cc1Cl 331347566 WSLHBSIIKWLGTO-ZCFIWIBFSA-N 316.181 2.909 0 40 DFAB Cc1nc(NCc2ccc(F)cc2)cc(C(=O)N2CCCC2)n1 96182720 BDAKZQGKOZERGC-UHFFFAOYSA-N 314.364 2.772 0 40 DFAB c1cncc(OC[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1 96067281 DQMXATVCAHOSKF-OAHLLOKOSA-N 324.384 2.582 0 40 DFAB COc1ccc(-c2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1OC 95534897 XHVWIQOGJHLXIH-AWEZNQCLSA-N 324.384 2.731 0 40 DFAB CCN(C(=O)CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1 245289961 GHKSRCZTGOCCHD-KBAYOESNSA-N 316.445 2.785 0 40 DFAB CC(C)(C)c1ncc(CN2CCO[C@@H]([C@H]3CCCO3)C2)s1 245339136 QSZTWOLBBDJQKX-ZIAGYGMSSA-N 310.463 2.820 0 40 DFAB CCC(=CC(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F)CC 583621156 HKZJAAWRGCGPCP-CHWSQXEVSA-N 320.355 2.791 0 40 DFAB COc1ncc(CN2CCC[C@@H](Cc3cccc(C)n3)C2)cn1 257278623 OCYUWEYKJVQISH-HNNXBMFYSA-N 312.417 2.643 0 40 DFAB Cc1cc(C[C@H]2CC[C@@H]3CN(c4cc(C)ncn4)C[C@@H]32)ncn1 257215430 CQBRVXQHCMVEMD-BFYDXBDKSA-N 309.417 2.589 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)c2cc3ccccc3o2)cc1 90611694 XNQHTUHHUKNDKJ-INIZCTEOSA-N 324.380 2.962 0 40 DFAB CCOc1ccccc1C(=O)NCc1nc2ccccc2n1C 58325110 CLBGIMKVPYBRLV-UHFFFAOYSA-N 309.369 2.902 0 40 DFAB COc1ccc(-c2nc(CCNC(=O)c3ccccn3)co2)cc1 69441748 DLAQTOFLIQCPAF-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB Cc1cccn2c(=O)cc(CN[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc12 105701751 CUJUMNWOBOBOFV-WBTNSWJXSA-N 311.429 2.917 0 40 DFAB CC[C@@H]1CN(C(=O)NC2CCN(CC(C)C)CC2)CCS1 96439164 KEWRMFVQEHDURN-OAHLLOKOSA-N 313.511 2.644 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1 158464 CCYGKHCLMFAAPX-UHFFFAOYSA-N 307.309 2.653 0 40 DFAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3F)C2)nn1 585234321 HWYXGRSPNWKSAK-ZDUSSCGKSA-N 314.364 2.779 0 40 DFAB CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)nc1 5120225 YGLBPKZKZAODGN-UHFFFAOYSA-N 302.808 2.617 0 40 DFAB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Cl 7071431 GTGREDLFMFXBSB-NJQKBMNKSA-N 321.764 2.619 0 40 DFAB Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@@H]3C)c(=O)c2c1 19219800 PVKHVPQESLXAED-HOCLYGCPSA-N 312.413 2.770 0 40 DFAB Cc1cc(CNC(=O)c2ccc(-n3cncn3)cc2)ccc1F 10551957 SRJDYNZTXWXWTK-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Cn1ccc2cc(C[C@@H]3COCCN(Cc4cnc[nH]4)C3)ccc21 2037658287 HHJWHNXELCCYQV-INIZCTEOSA-N 324.428 2.593 0 40 DFAB O=C1C[C@]2(CCCN(CC3CC3)CC2)Nc2ccccc2CN1 2037988871 MEEOCXUJYYLHMB-LJQANCHMSA-N 313.445 2.753 0 40 DFAB CC1CCC(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)CC1 1565543434 CWAXXUGAFXYMAI-FSFDPXQMSA-N 318.461 2.720 0 40 DFAB CNC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1C 5144985 IGQKHHXLQDLGEE-UHFFFAOYSA-N 318.398 2.742 0 40 DFAB CCOc1ccc(CC(=O)NC[C@H](OC)c2ccco2)cc1 206859982 CDRNPJCGMWLQQW-INIZCTEOSA-N 303.358 2.725 0 40 DFAB O=C(COc1ccccc1F)NCC[C@@H](O)c1ccsc1 217528979 OVOWAZIPUOYRHV-CYBMUJFWSA-N 309.362 2.506 0 40 DFAB O=c1c(-c2nc(-c3ccncc3)no2)c[nH]c2ccc(F)cc12 57354806 CSSXOZJGZMJEQY-UHFFFAOYSA-N 308.272 2.779 0 40 DFAB O=C(c1ccccc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 196567 KAARXCCVXPKKKQ-SMDDNHRTSA-N 312.291 2.940 0 40 DFAB Cc1nc2c(C)cccn2c1C(=O)NCc1ccc(C(=O)O)cc1 31965413 SZOCJMHXAPGVSK-UHFFFAOYSA-N 323.352 2.579 0 40 DFAB CC(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1 51506454 FWOVTWMTRUZXKS-UHFFFAOYSA-N 316.474 2.979 0 40 DFAB Cc1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 327670 RXKVGPFPWYBAMM-UHFFFAOYSA-N 309.321 2.868 0 40 DFAB CC(C)(C)NC1=NN=C(c2ccc3c(c2)OCCO3)CS1 7850103 MTBMXPSLGIRCEB-UHFFFAOYSA-N 305.403 2.653 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1cccs1 101395693 DYZHLWCYXAOKLZ-KKNAONHISA-N 324.471 2.622 0 40 DFAB O=C(O)c1cccnc1S[C@@H]1CCc2ccccc2NC1=O 20730224 VJRATMCKVGUEBF-CYBMUJFWSA-N 314.366 2.825 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 40803393 PXBASLKBKVKNNX-ZDUSSCGKSA-N 301.342 2.848 0 40 DFAB CC(=O)N[C@@H](CC(=O)N1CCCCC1)c1ccc(Cl)cc1 29651474 WUJMCIGUPKIENG-HNNXBMFYSA-N 308.809 2.920 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)nc1 339769 RBCSRZTXJRCKHA-SNVBAGLBSA-N 308.790 2.875 0 40 DFAB O=C(Nc1cccnc1)Nc1ccn(CCc2ccncc2)n1 60297047 QEEQQMXBVKWDML-UHFFFAOYSA-N 308.345 2.560 0 40 DFAB CCC[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)c1nnn[nH]1 89949535 HXNURVYVNDRQOO-SFYZADRCSA-N 313.814 2.676 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1 2640056 CVQDNSQZEFFUKV-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB CCCOC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102063876 WSMLUFBVHVVRLX-GASCZTMLSA-N 313.353 2.709 0 40 DFAB CCOc1cc(C(=O)NCCCOC)cc(Cl)c1OC 6155369 BDRXPOBQYDPQQA-UHFFFAOYSA-N 301.770 2.514 0 40 DFAB Cc1nc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)s1 6767538 LZXMBGBSGSCWBB-UHFFFAOYSA-N 317.414 2.849 0 40 DFAB O=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)OCCO3)on1 21786210 OPSFKWZMQLOQMN-UHFFFAOYSA-N 323.308 2.760 0 40 DFAB Cc1cnn(CCC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 89916427 BHCAYQJULOJGNF-UHFFFAOYSA-N 308.385 2.648 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)NC1CCCCCC1 7955128 RTGJSOZPLRNUPO-UHFFFAOYSA-N 302.418 2.954 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)on1 89942345 PPOMDWYFQPOSMF-JKOKRWQUSA-N 310.419 2.535 0 40 DFAB COC(=O)c1ccc2nc(NC(=O)C(F)(F)F)sc2c1 8904240 GTNQOFKYMGLNJW-UHFFFAOYSA-N 304.249 2.584 0 40 DFAB COc1cc(OC)cc(C(=O)NCCOc2ccc(C)cc2)c1 10543048 PZJAFVHMROFTOO-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H](C)OC[C@H]1C 46745943 ZYOGUNQBXRUEJW-NXEZZACHSA-N 306.387 2.961 0 40 DFAB Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(Cl)n1 61123116 AESMBQCHNLOIFZ-UHFFFAOYSA-N 301.655 2.987 0 40 DFAB O=C(Cc1ccccc1F)Nc1cccc(C(=O)NC2CC2)c1 9500320 XTLQRMYOJBBNPI-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)C(C)(C)C 42658975 JYPXCYVQAZJKMV-LLVKDONJSA-N 308.447 2.746 0 40 DFAB COCCN(CC(F)(F)F)C(=O)COc1ccc(C)c(C)c1 58324816 YGIWQMNDRXVQLB-UHFFFAOYSA-N 319.323 2.720 0 40 DFAB O=C(CCc1cccnc1)NCc1ccccc1CN1CCCC1 24189960 DHCAMOJZRDRZBD-UHFFFAOYSA-N 323.440 2.926 0 40 DFAB O=C(C[C@H]1C(=O)Sc2[nH]c(=O)sc21)c1ccc(F)cc1 101113009 TYXDEWTYIPZPSG-MRVPVSSYSA-N 309.343 2.564 0 40 DFAB Cc1cnc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cn1 24940264 FWQXOGJFKIOQAU-UHFFFAOYSA-N 310.357 2.554 0 40 DFAB COc1ccccc1N[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 101276526 AZLWGDTUSOYDSA-AWEZNQCLSA-N 314.316 2.578 0 40 DFAB Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 12536338 NUWPTFZBVVBXTM-UHFFFAOYSA-N 318.398 2.967 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCC2(N(C)C)CCCCCC2)c1 25443774 NPZWEIYNGAJWKG-UHFFFAOYSA-N 305.422 2.602 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1c2ccnn2[C@H](C)C[C@@H]1C 107494118 ZWTYJKVQIHRVLI-XGUBFFRZSA-N 321.421 2.544 0 40 DFAB Cc1ccsc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 26408563 ZDIGUYJIMOIQEC-UHFFFAOYSA-N 322.817 2.870 0 40 DFAB Cc1cnc([C@@H](NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)s1 108105984 OKZFVMOCHBDHOZ-XQHKEYJVSA-N 307.419 2.522 0 40 DFAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1-n1cnnn1 44246779 AGFMGQQGWGTRMF-ZDUSSCGKSA-N 322.372 2.853 0 40 DFAB Cc1nn(C)cc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28243950 SFKXDIQXOFBQRG-UHFFFAOYSA-N 315.764 2.820 0 40 DFAB O=C(NC1CCN(Cc2cscn2)CC1)c1ccc(F)cc1 27446697 JXWHEWJFDSZIMB-UHFFFAOYSA-N 319.405 2.677 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1F 25726977 QHNKSAJGKLPGMQ-UHFFFAOYSA-N 316.332 2.788 0 40 DFAB COCCNC(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1 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Cc1cc(C)n(C[C@H]2CCCCN2Cc2nnc(C3CC3)o2)n1 70006004 DMAYXSHISBTZOM-OAHLLOKOSA-N 315.421 2.815 0 40 DFAB Cc1nnc2sc(-c3ccc(Cl)cc3Cl)nn2c1=O 8394000 ZREXDAAWJXRPLL-UHFFFAOYSA-N 313.169 2.828 0 40 DFAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCC1 64240779 KAQQXLNSLNDQON-UHFFFAOYSA-N 320.396 3.000 0 40 DFAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1Cl 69415828 JIORCVJDZFJYGU-ZDUSSCGKSA-N 310.825 2.523 0 40 DFAB Nc1cc(N)nc(SCCCOc2ccc(Cl)cc2)n1 8488074 VGYFUFRUGLDCOL-UHFFFAOYSA-N 310.810 2.856 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 4289717 CDINUXQOANVMLJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccco1 64973404 XKLKOHSUJXBNDO-UHFFFAOYSA-N 305.305 2.624 0 40 DFAB CCN1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 14096800 AYIWYUISJMNBCB-UHFFFAOYSA-N 324.490 2.747 0 40 DFAB C[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1C(N)=O 14015067 HFWIEBPYCRLTMZ-CYBMUJFWSA-N 324.380 2.532 0 40 DFAB COc1ccc(C(C)(C)CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1 110592373 BFECKKUOBBXZKN-BZUAXINKSA-N 303.402 2.657 0 40 DFAB O=C(COC(=O)c1cc2ccccc2oc1=O)c1cccs1 4695400 PKAKGUPIYIPJKF-UHFFFAOYSA-N 314.318 2.894 0 40 DFAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3cccnc3)ccc12 6672636 UNYMSRFMKSLHFL-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB Cc1nc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)cs1 306129848 IOTVCZYATUGUEU-UHFFFAOYSA-N 314.370 2.564 0 40 DFAB N=c1oc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCCO2 67350747 WOWYFASZZCEHJW-UHFFFAOYSA-N 322.320 2.936 0 40 DFAB CCn1c(C)cc(C(=O)COC(=O)c2ccc(CO)cc2)c1C 7429858 LEQROKKQILIYSC-UHFFFAOYSA-N 315.369 2.657 0 40 DFAB Cc1nc(CC(=O)NC[C@H]2COC3(CCCCCC3)O2)cs1 97037741 FCECSCWDCTVIOE-AWEZNQCLSA-N 324.446 2.576 0 40 DFAB COc1ccc([C@@H](C)NC(=O)NCC2(OC)CCC2)cc1F 97054703 VXLIUCICFVSFBW-LLVKDONJSA-N 310.369 2.764 0 40 DFAB Cc1nn(C)c(C)c1CN(Cc1ccccc1)CC(C)(C)O 97034050 KWZISEGAPJRMFN-UHFFFAOYSA-N 301.434 2.810 0 40 DFAB COc1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 19910711 HQJVPRIGYZLNTQ-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB COc1coc(COC(=O)c2cccn2C2CCCC2)cc1=O 97048427 AGCHGUQRITXNCV-UHFFFAOYSA-N 317.341 2.922 0 40 DFAB Cc1cc(C(=O)N2CCN(C[C@H](C)c3ccccc3)CC2)on1 71909858 MFHSXBQGGJDOMQ-AWEZNQCLSA-N 313.401 2.545 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C)n(C(C)C)c1C)C2 72279169 ODHGCHKBTQJYGK-OAHLLOKOSA-N 314.433 2.936 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)Cn1ccnc1C(C)C 97236159 AABJNFWKXIMDRJ-UHFFFAOYSA-N 313.401 2.995 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NCc2ncc(C(C)(C)C)o2)C1(C)C 78973966 HASXFJXDOQHUGS-NEPJUHHUSA-N 323.437 2.975 0 40 DFAB COCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 84714874 PHDNWMVPXQVFTM-RDTXWAMCSA-N 316.445 2.570 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F 84741038 BUXFNNNBTVZOGC-UWVGGRQHSA-N 324.343 2.748 0 40 DFAB C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c1oc(=O)n2C 95441758 PSUNSEDGFASKBC-GFCCVEGCSA-N 322.364 2.719 0 40 DFAB O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 88436150 MIRUXQRYAMHYBR-VHSXEESVSA-N 307.312 2.678 0 40 DFAB COc1ccc2c(c1)[C@@H](NC(=O)C(C)C)CCN2C(=O)C(C)C 95940481 WNXDXHFNZXZUMR-HNNXBMFYSA-N 318.417 2.901 0 40 DFAB CCOC(=O)c1cccnc1N1CCO[C@@H](c2ccc(C)o2)C1 95941147 AQVMOBYXKFXIBI-OAHLLOKOSA-N 316.357 2.738 0 40 DFAB Cn1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1=O 95954068 XKVCNBYRHIFPFI-UHFFFAOYSA-N 308.790 2.770 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)cc2cccnc12)N1CCCC1=O 95991477 FZOVXDLMSWZAHT-OAHLLOKOSA-N 311.385 2.883 0 40 DFAB CNC(=O)[C@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 95982616 FSHGIEVKXVYEKC-GOSISDBHSA-N 309.413 2.849 0 40 DFAB Cc1cccc2nc(C(=O)NC[C@H](C)N(C)c3ccccc3)cn12 95949383 BEYUTTDXWYYFGL-HNNXBMFYSA-N 322.412 2.897 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(F)c2)c1C 9952004 XHNRXTQVZYILKX-UHFFFAOYSA-N 318.348 2.829 0 40 DFAB O=C(COc1cccc(-c2nc[nH]n2)c1)NC1CCCCCC1 75147366 QOVWKMJGYXBOBO-UHFFFAOYSA-N 314.389 2.690 0 40 DFAB C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(Cn3cccc3)cc2)C1 89894255 COXHOXSKZAYODS-CRAIPNDOSA-N 312.413 2.769 0 40 DFAB COCC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn21 306143286 XXVNBZLTOPJVAB-ISZGNANSSA-N 317.414 2.578 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)Nc2c(F)cccc2F)cc1 38489912 BIWJMXUNUVJTSL-UHFFFAOYSA-N 319.311 2.897 0 40 DFAB Cn1cncc1CC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1544455451 PTRMBYLPSQDSHO-HNNXBMFYSA-N 322.412 2.850 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2)cc1Cl 72227886 JZUFLSSYXQOLRD-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB COc1ccc(-c2csc(CNC(=O)[C@H]3CCCO3)n2)cc1 72265249 MJBIZJCALGITRW-CQSZACIVSA-N 318.398 2.614 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3F)nn2)cc1 31738311 XVYSPAINPGBGDY-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB COc1ccc(CCC(=O)NC[C@](C)(O)c2ccccc2)cc1 70639589 AKPLTOMDVLISKO-IBGZPJMESA-N 313.397 2.652 0 40 DFAB Nc1cc(N)cc(-c2n[nH]c(-c3ccc(Br)o3)n2)c1 40169650 PTSVMHYTXIGTIU-UHFFFAOYSA-N 320.150 2.659 0 40 DFAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225687951 NHJCFJPDBDSXDR-QGZVFWFLSA-N 323.389 2.930 0 40 DFAB Cc1nc(SC[C@@H]2CCCN(S(C)(=O)=O)C2)sc1C 85252119 XUSAWUPEYCNZTC-LLVKDONJSA-N 320.505 2.524 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)nc1 48354429 BHUJCZOODRHZSR-UHFFFAOYSA-N 305.721 2.785 0 40 DFAB CN(Cc1csc(-c2ccc(C(=O)O)cc2)n1)[C@H]1CCOC1 572370391 OUIOPQYCGHFXNJ-AWEZNQCLSA-N 318.398 2.729 0 40 DFAB COc1nccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)n1 573538608 ZYJFHAFUCSUMIO-AWEZNQCLSA-N 312.373 2.897 0 40 DFAB O[C@@](CCN[C@@H]1CCSC1)(c1ccccc1)C(F)(F)F 96477522 NZZOZFPEKAZGEP-OLZOCXBDSA-N 305.365 2.922 0 40 DFAB CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CC=CCC2)c1 96408959 BJCMPKJGWUTCOS-PBHICJAKSA-N 303.402 2.980 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCS[C@H](C(C)C)C1 96432242 LAYJVQIUWZJEOA-HNNXBMFYSA-N 309.479 2.570 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1 96059215 PEHSVSHQGQOVEW-HNNXBMFYSA-N 303.381 2.691 0 40 DFAB O=C(Nc1cc(CCC2CCNCC2)ccn1)c1ccccn1 257303701 SIIYJOLHZVWYHJ-UHFFFAOYSA-N 310.401 2.661 0 40 DFAB CN(C)c1cccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 257333610 YCGVJQHDNYHYLB-SJORKVTESA-N 303.450 2.631 0 40 DFAB CO[C@H]1CCN(Cc2cc[nH]n2)C[C@H]1Cc1ccccc1F 585274814 ONCJBECJVRHCEB-PBHICJAKSA-N 303.381 2.628 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](c3cnn(C)c3)C2)cc1F 681286016 CWOXZGBTUIQTDP-CYBMUJFWSA-N 317.364 2.588 0 40 DFAB C[C@H](SCc1nc(N)nc(N(C)C)n1)c1ccccc1F 56230014 BVMRZZJVOYPDBN-VIFPVBQESA-N 307.398 2.653 0 40 DFAB COc1cccnc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 58185939 ZHNZHABOFVVGMU-UHFFFAOYSA-N 309.325 2.701 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(SC)c1 209776273 SRDLKICYSWFOLP-CYBMUJFWSA-N 324.377 2.739 0 40 DFAB COCCCNC(=S)Nc1cccc(Br)c1 13786946 QPLDMZOHBZWAIT-UHFFFAOYSA-N 303.225 2.772 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2cc3cccnc3[nH]2)n1 12222994 HDVDSEGLJPNPDB-MRXNPFEDSA-N 323.400 2.740 0 40 DFAB Fc1cccc(Nc2nc(N3CCCC3)nc3c2CNCC3)c1 19293970 KDRLXZSDSNLQNR-UHFFFAOYSA-N 313.380 2.605 0 40 DFAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCn2ccnc2)c1 19932988 MXZSCJOFNITPNL-MRXNPFEDSA-N 315.417 2.782 0 40 DFAB CSc1ccc(OCCN2CC[S@](=O)[C@H](C)[C@H]2C)cc1 205513080 OFCMIECZYDEYCH-IZDJOXEWSA-N 313.488 2.629 0 40 DFAB O=C(c1cc(O)cc(O)c1)N1CCc2c([nH]c3ccccc23)C1 152873026 KCHJPKWATZHJLJ-UHFFFAOYSA-N 308.337 2.778 0 40 DFAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccco3)CC2)n1 252523083 BVOUYTOVFMZJED-HDJSIYSDSA-N 315.373 2.806 0 40 DFAB Cc1noc([C@H]2CN(C(=O)c3ccoc3)C[C@H]2c2ccccc2)n1 244970179 HNCRRJWTCSRYLM-HOTGVXAUSA-N 323.352 2.994 0 40 DFAB CC(C)N1C(=O)OC[C@H]2CCN(Cc3cccnc3)CC[C@@H]21 2037980785 IQVFZYXWECHUDN-CVEARBPZSA-N 303.406 2.523 0 40 DFAB CCOC(=O)[C@@]1(C)CCN(Cc2ccccc2)C2(CC2)C1=O 953018961 QERBWHSYRLVRCN-KRWDZBQOSA-N 301.386 2.563 0 40 DFAB Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 1565550839 GMXRSGJMZASQIS-OALUTQOASA-N 321.424 2.765 0 40 DFAB Cc1ccn2c(=O)c(NC(=O)c3cccc(F)c3)c(C)nc2c1 17143914 FNILMANFHYSDER-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB O=C(Cc1noc2ccccc12)NCCOc1ccc(F)cc1 29298554 PDPRPSIWABZUPH-UHFFFAOYSA-N 314.316 2.705 0 40 DFAB O=C1NCCN1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 206875844 CWVPDSYANSTABQ-ZDUSSCGKSA-N 305.353 2.540 0 40 DFAB O=C(/C=C/c1cccs1)NCCn1cc(-c2ccncc2)cn1 575612410 DLJIMKVUPMRMLQ-ONEGZZNKSA-N 324.409 2.836 0 40 DFAB S=C(NCc1ccccc1)NNc1nncc2ccccc12 3255485 KZAPTMDJXZLOTJ-UHFFFAOYSA-N 309.398 2.621 0 40 DFAB C[C@@](O)(CNC(=O)c1nc2ccccc2s1)c1cccs1 75155865 LHCYNUGFMLIMRH-OAHLLOKOSA-N 318.423 2.995 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccco3)n2)CN1c1ccccc1F 109698089 OTVWKAKGJJKIAK-SNVBAGLBSA-N 313.288 2.989 0 40 DFAB Cc1ccc(C)c(C(=O)COc2ccc(S(C)(=O)=O)cc2)c1 40460853 VUEKZTLHYOULCO-UHFFFAOYSA-N 318.394 2.969 0 40 DFAB COCCOCC(=O)Nc1ccccc1N1CCCCCC1 40490426 GRRIRNHHMAXGBH-UHFFFAOYSA-N 306.406 2.669 0 40 DFAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc2c1OCO2 40554915 SCIXTXAEECPGKW-UHFFFAOYSA-N 313.309 2.829 0 40 DFAB O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1cccnc1 69486750 HDXVFVPIVOKRRE-UHFFFAOYSA-N 305.341 2.996 0 40 DFAB Cn1nnc(C(=O)Nc2c(Cl)cccc2Cl)c1S 101392563 VVBRXIIVVKFSMG-UHFFFAOYSA-N 303.174 2.663 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)OCc2ccc(F)cc2)c1 11836090 AJCYHBWJVDVCBT-UHFFFAOYSA-N 308.330 2.586 0 40 DFAB CC(C)CN1CCn2c(nc3cc(C(=O)NC(C)C)ccc32)C1 20716426 LQFQZOUPLROKHF-UHFFFAOYSA-N 314.433 2.646 0 40 DFAB COc1ccc(CCC[C@@H]2C(=O)C[C@@H](C)OC2=O)cc1OC 1706015 QTWZJCZWBIOKLG-DGCLKSJQSA-N 306.358 2.547 0 40 DFAB O=C(CSc1nc(-c2ccco2)n[nH]1)NC1CCCCCC1 32873556 PIVWYDGKYBVITC-UHFFFAOYSA-N 320.418 2.996 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 32815943 YSFCEOWWNYXJPH-MRXNPFEDSA-N 316.445 2.773 0 40 DFAB CCOC(=O)c1ccc(-c2ccc(CNCCCNC)o2)cc1 8253096 FBNHKVIDTRXOCD-UHFFFAOYSA-N 316.401 2.822 0 40 DFAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)NC2CC2)N1C 8393861 ZMJWXSQFMFVLIC-LLVKDONJSA-N 301.415 2.991 0 40 DFAB O=C(NCCCS(=O)(=O)Cc1ccccc1)C1CCCCC1 32915980 WTUXYBQPAOJLQT-UHFFFAOYSA-N 323.458 2.688 0 40 DFAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1cncc(Cl)c1)C2 108529953 GGZCJDLYUBTKBQ-NVXWUHKLSA-N 321.852 2.815 0 40 DFAB COC(=O)c1c(NC(=O)c2csnn2)sc2c1CCCC2 11914752 MAJYIPSYOBUICI-UHFFFAOYSA-N 323.399 2.517 0 40 DFAB Cc1nc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cs1 107742891 YAZSDALBMPJQJO-BBRMVZONSA-N 313.426 2.546 0 40 DFAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)sc1C(=O)O 37225804 HZCNCZAAERDFAA-UHFFFAOYSA-N 323.395 2.506 0 40 DFAB CC(C)CNC(=O)CSc1nc(CCC2CCCC2)n[nH]1 12104612 PTWAKMLPQQIELC-UHFFFAOYSA-N 310.467 2.792 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccccc2N)c(O)c2ccccc21 104709772 LUJUDLBQXDSBRZ-UHFFFAOYSA-N 323.352 2.562 0 40 DFAB COCCOc1cc(NC(=O)c2cc(Cl)c[nH]2)ccc1OC 25224800 SPRTVWYFSZWPFE-UHFFFAOYSA-N 324.764 2.954 0 40 DFAB O=c1c2ccccc2nnn1Cc1coc(-c2ccc(F)cc2)n1 24356446 YAUUUNWKYCNFTE-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB O=C(NCC[C@H](O)c1ccccc1)c1ccc(N2CC=CC2)cc1 102695727 DWMXYZOQHUCLIH-IBGZPJMESA-N 322.408 2.916 0 40 DFAB COc1cc(N2C(=O)CSCC2=O)c(Cl)cc1Cl 1397927 AATVELSJCRKWFC-UHFFFAOYSA-N 306.170 2.608 0 40 DFAB O=C(NCC1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1 12586722 WLDDORYYKGFZCO-UHFFFAOYSA-N 313.401 2.866 0 40 DFAB Fc1cc(F)c2nc(NCCCN3CCOCC3)sc2c1 26424098 QKKGABKMQCSCAP-UHFFFAOYSA-N 313.373 2.709 0 40 DFAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)s1 78494924 BRILAUXDJSAGJT-UHFFFAOYSA-N 309.778 2.685 0 40 DFAB CCC[C@@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1 58137291 HLCHBGJNVHGTCS-MRXNPFEDSA-N 316.445 2.774 0 40 DFAB CN(C)c1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 3253665 VLJKAQPMZUVCPF-UHFFFAOYSA-N 318.417 2.748 0 40 DFAB COc1cccc(-n2nnc(C(=O)N(C)[C@H](C)C(C)C)c2C)c1 27231339 XDTWOTMEVUJNRE-GFCCVEGCSA-N 316.405 2.701 0 40 DFAB Cc1c(C(=O)Nc2cccnc2-n2cncn2)oc2ccccc12 58328329 OWADZPKTKABDPH-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB O=c1n(CCOc2ccc3ccccc3c2)nc2ccccn12 58370116 RMQDQTFEDFCDFE-UHFFFAOYSA-N 305.337 2.728 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1OC 58304781 PUPMMHIJNXKJOE-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB CCSc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)ccn1 58306264 MVXBGJRTRVDPSH-OAHLLOKOSA-N 319.474 2.894 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3315659 HGJYPWYNCFAWKR-CJNGLKHVSA-N 318.417 2.604 0 40 DFAB COc1ccc(NC(=O)CNc2ccccc2F)cc1OC 3399646 XEPPCYVQMJAARZ-UHFFFAOYSA-N 304.321 2.894 0 40 DFAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)nn2C)cc1 69508237 FIINJWZHSHFNEE-INIZCTEOSA-N 312.417 2.813 0 40 DFAB Cc1ccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)s1 69516043 PPRZZMQZZGFKOE-WCQYABFASA-N 323.462 2.645 0 40 DFAB Cn1nnnc1Sc1nc(-c2ccccc2)nc2ccccc12 3446817 YHKDIBFNRGORNO-UHFFFAOYSA-N 320.381 2.972 0 40 DFAB CC(=O)N(c1nnc(SC[C@H]2CCCCO2)s1)C1CC1 48412484 XXXJUYPLHJFYAZ-LLVKDONJSA-N 313.448 2.715 0 40 DFAB Cc1nc(OCc2cc(=O)n3ccsc3n2)c2ccccc2n1 3543116 HUXNUEJHYJAMJV-UHFFFAOYSA-N 324.365 2.587 0 40 DFAB Cc1c(C(=O)NC2=NCCS2)cnn1-c1ccc(Cl)cc1 12912971 JVPIFWLAKVKZTL-UHFFFAOYSA-N 320.805 2.667 0 40 DFAB COc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cc1 13388837 CDKRYBIYVRBEAE-LBPRGKRZSA-N 305.355 2.703 0 40 DFAB O=C(O)C[C@H](c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 4178989 QRILPICDYUIUCJ-CQSZACIVSA-N 313.284 2.638 0 40 DFAB O=C(Nc1ccccc1)N1CCCC[C@H]1CCN1CCOCC1 13689659 MVIQNKSXTYJUGE-KRWDZBQOSA-N 317.433 2.795 0 40 DFAB C[C@@H]1CCCN(Cn2nc(-c3cccnc3)n(C)c2=S)C1 8748720 HBFYHWQSIDQKOU-GFCCVEGCSA-N 303.435 2.702 0 40 DFAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(Br)c1 6650281 WCZBBBUBYMRNMB-UHFFFAOYSA-N 307.147 2.698 0 40 DFAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4815612 LJORFYNVUGLVAC-SFHVURJKSA-N 320.348 2.886 0 40 DFAB CC[C@@H](C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC 70982760 BBRLADSNTKUMDP-QMTHXVAHSA-N 303.362 2.638 0 40 DFAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 7708413 SXBJSZOIOVNJEV-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)c(C)o1 7745039 JJKGBAGNLSZZNU-GFCCVEGCSA-N 319.361 2.858 0 40 DFAB Cc1ccc2nc(CN3CCC[C@@H]3c3cccn3C)cc(=O)n2c1 7854325 HIGSPNBNYDZHGE-QGZVFWFLSA-N 322.412 2.679 0 40 DFAB Cc1ccc(C(=O)[C@@H](O)NC(=O)c2ccc(Cl)cc2)cc1 16735865 DEZUXMRCXHYXGH-MRXNPFEDSA-N 303.745 2.580 0 40 DFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(C)o2)c1 8358343 PDOKXENSTRKAEJ-UHFFFAOYSA-N 300.358 2.916 0 40 DFAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCn1ccnc1 22519572 QBTKGEONQKNMMA-MRXNPFEDSA-N 315.417 2.864 0 40 DFAB Cc1cc(NC(=O)NC[C@H]2CCC[C@H]2O)ccc1N1CCCC1 78936609 ZWZDDZQELDEXEF-RHSMWYFYSA-N 317.433 2.878 0 40 DFAB O=C(CCc1ccsc1)N1CCCC[C@@H]1Cn1cccn1 71865033 JCULDDRVBQFGGO-OAHLLOKOSA-N 303.431 2.959 0 40 DFAB COC(=O)N(C)CCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 71847525 UFSLQAKXPSLNMD-GXTWGEPZSA-N 324.808 2.791 0 40 DFAB CN(CC(=O)NC1CC1)C(=O)c1cc2c(ccc3ccccc32)[nH]1 83857529 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Cc1ccn2c(CN3CCC[C@@H](Cc4nccn4C)C3)cnc2c1 97377019 QMZIZHWOJQMPQF-INIZCTEOSA-N 323.444 2.831 0 40 DFAB CCCc1nnc(NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)s1 84759088 YVXFVIJTVQGWMR-NXEZZACHSA-N 324.406 2.717 0 40 DFAB O=C(CCCc1nc2ccccc2s1)NC[C@H]1CCCO1 22620634 HLWXLAIZYZZYTH-GFCCVEGCSA-N 304.415 2.914 0 40 DFAB CCc1ccc([C@@H](C)NC[C@]2(N3CCOCC3)CCSC2)o1 95420915 MJXNQNMNWAKYRJ-RHSMWYFYSA-N 324.490 2.701 0 40 DFAB CC(C)c1noc([C@@H](C)N2CCC(OC3CCOCC3)CC2)n1 95960789 SWNBDFQGCIINJT-CYBMUJFWSA-N 323.437 2.914 0 40 DFAB O=S1(=O)CC[C@H](CN[C@@H](CC2CCC2)c2ccccc2)C1 95987762 KBLHEVBVIISHKP-WBVHZDCISA-N 307.459 2.942 0 40 DFAB CCc1cnc(CNC(=O)/C=C/c2ccc(C(=O)O)cc2)s1 95969780 QWLLCBUKXXFPHG-VMPITWQZSA-N 316.382 2.733 0 40 DFAB CCc1cc(CNC(=O)N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)on1 74428831 MSIRALLYGQIAEL-CZUORRHYSA-N 309.410 2.582 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)n[nH]2)cc1 9949531 BAWXKGGHOPQRHI-UHFFFAOYSA-N 322.324 2.511 0 40 DFAB COc1ccc([C@H]2SCC(=O)N2Cc2cccnc2)cc1 27754708 VAXAJOUNWRXLNR-MRXNPFEDSA-N 300.383 2.864 0 40 DFAB O=C(CN1C(=O)CCCc2ccccc21)NCCc1ccccc1 20532601 MSUSJDAZNBCFNX-UHFFFAOYSA-N 322.408 2.715 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc3snnc3c2)cc1 408996884 FJHNEXWKJNQGJT-UHFFFAOYSA-N 313.338 2.730 0 40 DFAB Cc1ccnc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)n1 35290041 LIBZZXMCTYENIC-UHFFFAOYSA-N 314.364 2.779 0 40 DFAB COC[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)C1 79051437 OKMGCZGHMGPHQN-QWHCGFSZSA-N 311.809 2.992 0 40 DFAB COCCC1(CN2CCO[C@H]([C@@H]3CCCO3)C2)CCCCC1 187459510 LNORNDXWJQEAPR-IRXDYDNUSA-N 311.466 2.853 0 40 DFAB CN1CCC[C@@H](c2cccc(NCCC3(O)CCCC3)n2)C1 72365543 MBDSYTNGENJRGA-OAHLLOKOSA-N 303.450 2.998 0 40 DFAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCc2c1cnn2C 31593991 OEQOXMNTLAOWAS-ZDUSSCGKSA-N 319.792 2.890 0 40 DFAB CC(C)N(C[C@@H]1CCCCN1CC(=O)O)C(=O)OC(C)(C)C 79410674 UMVLUTITKBLKTB-ZDUSSCGKSA-N 314.426 2.571 0 40 DFAB CCc1c(C(=O)O[C@@H](C)c2nnc(C)o2)[nH]c(C)c1C(C)=O 68518634 WSXJHNQJNBWJNV-VIFPVBQESA-N 305.334 2.698 0 40 DFAB Cn1cc(-c2noc([C@H]3CCC[C@H](C(F)(F)F)C3)n2)nn1 565775546 YMEGHVALGKGXPM-YUMQZZPRSA-N 301.272 2.701 0 40 DFAB CC(C)N(C[C@@H]1C[C@@H]2C=C[C@H]1C2)C(=O)c1nccn2ccnc12 81378240 VNULNQAIGJFCEF-ILXRZTDVSA-N 310.401 2.792 0 40 DFAB CCc1cccc(C)c1NC(=O)c1cc(N2CCOCC2)on1 224072705 RGSGPCKSTLDVAI-UHFFFAOYSA-N 315.373 2.634 0 40 DFAB CCOC(=O)c1csc([C@H]2CCCN2Cc2ncc(C)o2)n1 191458808 MSELYXVZNORUMP-GFCCVEGCSA-N 321.402 2.953 0 40 DFAB COc1ccc(CC2=NN[C@@H]3CC(C)(C)CC(=O)[C@@H]23)cc1OC 228925520 RZYHVMJUGXAPDA-DYVFJYSZSA-N 316.401 2.579 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC 224811266 QZZSEISWHSFSRE-LBPRGKRZSA-N 310.825 2.993 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 225547593 NGYFKOPNESUJHS-HOSYDEDBSA-N 315.822 2.816 0 40 DFAB CC1=CCC[C@@H](C)[C@H]1CN1CCC(C(=O)N2CCOCC2)CC1 195575761 CYWPNVHLTHTULL-AEFFLSMTSA-N 320.477 2.550 0 40 DFAB Cn1nc2c(c1CNC(=O)Cc1cccc3ccccc13)CCC2 225818367 XUXQCSVHASBNPF-UHFFFAOYSA-N 319.408 2.921 0 40 DFAB CC[C@@H](NC(=O)N1CCO[C@@](C)(CC)C1)c1c(C)nn(C)c1C 195574832 UZUBHFXCFUKHSQ-PBHICJAKSA-N 322.453 2.699 0 40 DFAB COc1cccc(C(=O)N(C)C[C@H]2Cc3ccccc3CO2)c1 225788187 BOGZXSJQSVSCKF-GOSISDBHSA-N 311.381 2.909 0 40 DFAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccncc1 225788387 MJDHDNBFZZEMRE-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB O=c1[nH]c(C2CCCCC2)nc2nc(Br)cnc12 225733558 XUBJONUQFPAJIF-UHFFFAOYSA-N 309.167 2.523 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)[C@@H]1CCOC1)[C@@H](C)C2 195556210 VZHXKTWKYSMNSV-TZDHZFECSA-N 302.418 2.953 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CC[C@@H]1CCCO1 81613331 DGJFRJWSPHICLU-HOCLYGCPSA-N 302.418 2.813 0 40 DFAB COc1c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c(C)nn1C 96446364 SFSZWGSWSRTFCV-NEPJUHHUSA-N 301.390 2.659 0 40 DFAB Cc1nc(CNC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)no1 94151419 ZBVZZDIFENACPZ-AWEZNQCLSA-N 323.780 2.751 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 96110652 MMKPKLNHWJQQNK-IAGOWNOFSA-N 311.404 2.785 0 40 DFAB Cc1ccc(CN2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)s1 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2.595 0 40 DFAB CC(=O)c1ccccc1OCCN(C[C@H]1CCOC1)C1CC1 48290065 GFDXLNPIMBPTEX-OAHLLOKOSA-N 303.402 2.769 0 40 DFAB CC1(C)NC(=O)N(Cc2ncc(-c3cccc(Cl)c3)o2)C1=O 50510778 MAZUWUQDMVETFP-UHFFFAOYSA-N 319.748 2.825 0 40 DFAB COC(=O)Nc1ccc(NC(=O)NCC[C@@H]2CCCO2)cc1 58306795 KJWKLQLRAPSYNK-ZDUSSCGKSA-N 307.350 2.556 0 40 DFAB CCN(C(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1CCCC[C@@H]1C 66414904 BNMFIURTJCOLGS-GOEBONIOSA-N 320.433 2.536 0 40 DFAB CC(C)NC(=O)c1cccc(CNC(=O)NCC(C)(C)C)c1 67409319 XTTIMDCZIOEZHA-UHFFFAOYSA-N 305.422 2.670 0 40 DFAB Cc1noc(C)c1CNC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 67762875 WPOXIQWGAOIRTN-YVEFUNNKSA-N 322.453 2.601 0 40 DFAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)C1CC1 75164184 RINSXOWLZZBNGG-UHFFFAOYSA-N 312.373 2.817 0 40 DFAB C[C@@H](CNC(=O)N[C@@H]1CCc2ccccc21)CC1(C)OCCO1 95412352 RMFKBDOIAUZEBB-CZUORRHYSA-N 318.417 2.762 0 40 DFAB Clc1snnc1CN(Cc1cccnc1)C[C@H]1CCCO1 96308219 RUKFRYZTLKOJRD-GFCCVEGCSA-N 324.837 2.768 0 40 DFAB O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1ccc[nH]1 83004745 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317.349 2.732 0 40 DFAB O[C@@H](CN1CCN(c2ccccc2F)CC1)c1cccc(F)c1 51087438 KARKYVSBLXDANH-SFHVURJKSA-N 318.367 2.820 0 40 DFAB O=C1C[C@@H](C(=O)NCCc2ccsc2)c2ccccc2N1 40509501 RNDCMSXURYQQCW-CYBMUJFWSA-N 300.383 2.533 0 40 DFAB CC1CCC(NC(=O)CCc2nc(-c3cccnc3)no2)CC1 40510992 DHKOABKWSSGLLJ-UHFFFAOYSA-N 314.389 2.759 0 40 DFAB O=Cc1c(Cl)c2cc3c4c(c2oc1=O)CCCN4CCC3 353506 POAJZNLBLRNZJV-UHFFFAOYSA-N 303.745 2.958 0 40 DFAB Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1C 32777622 SWLSJEWMFXLMQE-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)cccc1C(=O)O 32833718 RZMHMTQFSJGDSF-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1ccc(C2=N[C@H](CO)[C@H](c3ccccc3)O2)cc1OC 6411676 VVQQEIOHGUNKLA-PBHICJAKSA-N 313.353 2.583 0 40 DFAB O=C(CSc1ccncc1)N1CCN(c2ccccc2)CC1 46468939 JUZXFISGHQGPQR-UHFFFAOYSA-N 313.426 2.523 0 40 DFAB O=C(CCOc1cccc(F)c1)Nc1ccc2c(c1)OCO2 32906841 JERFMOSTQRZJBM-UHFFFAOYSA-N 303.289 2.962 0 40 DFAB COC(=O)c1cccc(C(=O)OCc2ccc(Cl)cc2)n1 58157628 DRQFFAVCBUEHHC-UHFFFAOYSA-N 305.717 2.879 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2C)cc1 32904049 LLRKQKPHVKPKGG-NSHDSACASA-N 301.390 2.927 0 40 DFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(c2cc[nH]n2)CC1 58277828 YDYPMDGSVRNOQN-GFCCVEGCSA-N 323.400 2.587 0 40 DFAB CCOc1nn(CC)cc1C(=O)NCc1ccc(Cl)cc1 9070257 BQMVHVYIQOQRNI-UHFFFAOYSA-N 307.781 2.885 0 40 DFAB CCC(=O)NC(=S)Nc1cc(NC(=O)CC)ccc1Cl 9140843 JCYPHGBJMZLLQG-UHFFFAOYSA-N 313.810 2.912 0 40 DFAB CCc1c(C)sc2ncn3nc(-c4cc(C)n(C)n4)nc3c12 2808991 AIQAZGVXEHYSHF-UHFFFAOYSA-N 312.402 2.919 0 40 DFAB CC(C)n1ncc2cc(C(=O)Nc3ccc(N(C)C)nc3)cnc21 22421247 ZXYXDMYSGCHJDX-UHFFFAOYSA-N 324.388 2.726 0 40 DFAB CS[C@H](C)C(=O)NCc1cccc(OCC(F)(F)F)c1 47186650 IVIVYCSYINTWAB-SECBINFHSA-N 307.337 2.995 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N1CCN2CCC[C@H]2C1 27932596 DQYIVYNUJUOVAW-LBPRGKRZSA-N 309.797 2.661 0 40 DFAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)C(=O)O 12406660 IBKVKMPQCLXZNI-QMMMGPOBSA-N 324.789 2.975 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1 55260677 VHOFUTGCFVZIBK-NSHDSACASA-N 307.419 2.608 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)o1 12599789 VAVXNJHUYOTSFI-IXPVHAAZSA-N 307.390 2.994 0 40 DFAB CC(C)c1ccc(CNc2nc3[nH]c4c(c(=O)n3n2)CCC4)cc1 101246513 WLHDEGQCMDHBMN-UHFFFAOYSA-N 323.400 2.642 0 40 DFAB Cc1ccc(C)c(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c1 1738170 KJNVFELDRJJGMQ-UHFFFAOYSA-N 313.309 2.952 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1 89942275 QJDZKGPFIHRRAF-BFHYXJOUSA-N 312.454 2.534 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 20143893 GDSOZQHNPKJUQY-UHFFFAOYSA-N 315.325 2.670 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 12615960 NTXKDHNMOVNJEZ-UHFFFAOYSA-N 324.380 2.686 0 40 DFAB CCN(CCNC(=O)[C@@H](C)SCc1ccccc1)C1CC1 58392436 RUMRBHWIGZTWSL-CQSZACIVSA-N 306.475 2.909 0 40 DFAB O=C(/C=C/c1ccccc1F)N[C@H](Cc1ccccc1)C(=O)O 62715039 CHXCWMQGXKVSCY-SIFUEBAJSA-N 313.328 2.651 0 40 DFAB COCc1cccc(NC(=O)NCc2ccccc2CO)c1 58343696 NNFNLBXZSZYKLG-UHFFFAOYSA-N 300.358 2.647 0 40 DFAB O=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCNC1=O 69330566 OMZAOFGTTUTUAC-OAHLLOKOSA-N 322.364 2.523 0 40 DFAB CC1=NN(c2ccc(-c3nnc(-c4cnccn4)o3)cc2)CC1 48237717 WVHBLPQIEGDPKW-UHFFFAOYSA-N 306.329 2.780 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)NC1CC1 10860052 CKUMSOGLUFVZKG-JTQLQIEISA-N 316.332 2.506 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2csc(C)n2)c[nH]1 48251205 RHGNJGBWLCWRMT-CYBMUJFWSA-N 318.446 2.661 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1 12899991 JXHSGXUGXQXCCF-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)C2CC2)cc(OC)c1OC 12815377 AUCXWWKDRQEDDM-LZGFCCKTSA-N 319.401 2.983 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cccc2cccnc12 89949066 INDLXHMFAPDPHR-YJBOKZPZSA-N 311.429 2.971 0 40 DFAB COc1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1Cl 69463488 XJZQIJLNRGNLHA-UHFFFAOYSA-N 311.813 2.907 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn(-c2ccccc2)n1 69520762 AZYJVJFMHHSLNF-HNNXBMFYSA-N 314.389 2.905 0 40 DFAB CCOc1cccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1 92078596 WDSKRJQHCXIIFF-INIZCTEOSA-N 318.461 2.770 0 40 DFAB Cc1c(C(=O)NCc2cccnc2)oc2c1[C@@H](O)CC(C)(C)C2 5244731 BZGYUSBIPWNOSU-ZDUSSCGKSA-N 314.385 2.919 0 40 DFAB COc1ccccc1CC(=O)Nc1c(C(N)=O)oc2ccccc12 13985446 KAMFDBRECRJSCS-UHFFFAOYSA-N 324.336 2.722 0 40 DFAB Cc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1Cl 13947788 BWFGAPPMEUQFGF-UHFFFAOYSA-N 310.806 2.830 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc2c(c1)OCO2 6330476 WRGYCRIUWGMECS-AAEUAGOBSA-N 306.431 2.958 0 40 DFAB O=C(/C=C/c1nc2ccccc2o1)N(C[C@H]1CCOC1)C1CC1 65605978 FMVLZFPORBILBM-SBDDDAINSA-N 312.369 2.869 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2S1 8726757 UGHPYVSMFAAUJK-MRXNPFEDSA-N 313.378 2.749 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)n1C 7172409 LDWMGBNXGZTEOC-SSDOTTSWSA-N 312.345 2.521 0 40 DFAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC1 7108453 XLUSUHJKJMVZIY-ZETCQYMHSA-N 302.157 2.817 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2)c1 7214772 VCRMFSJEQMSISH-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 113707280 JZOYZFAHCDCRDO-UHFFFAOYSA-N 313.279 2.824 0 40 DFAB COc1cc(C(=O)NCc2ccccc2C)cc2c1OCCO2 8053045 ABCFOALNYJKKQK-UHFFFAOYSA-N 313.353 2.705 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccnc(C)n2)C1(CC)CC 81616207 ZYJFZGCGHLKUMO-LSDHHAIUSA-N 305.422 2.841 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)s2)o1 96005663 ZEYNREFINMUJBD-NSHDSACASA-N 318.398 2.667 0 40 DFAB Cc1noc(-c2ccccc2C(=O)N2CCc3cnccc32)n1 96008868 ISQDWKXEMHZZCO-UHFFFAOYSA-N 306.325 2.643 0 40 DFAB CC(C)=CC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96001084 PYKOQAVCQVUVLY-AWEZNQCLSA-N 313.357 2.603 0 40 DFAB C[C@H](C(=O)O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19851711 GWIBVTZGWHETDJ-MRXNPFEDSA-N 324.424 2.867 0 40 DFAB CN(C[C@@H]1CCCN1c1cccnn1)c1ncnc2ccccc12 71859476 ZRHAUCWSODGOGP-AWEZNQCLSA-N 320.400 2.525 0 40 DFAB O=C(CC[C@H]1CCCO1)N1CCC[C@H]1c1noc(C2CC2)n1 84136639 KSRTVXRSPCUJAI-OLZOCXBDSA-N 305.378 2.570 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 97001644 LXPFBARDKLPCTO-GFCCVEGCSA-N 300.358 2.885 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)N1CCCCCCC1)NC(N)=O 84235082 CRHZNEFAYXOJDP-MRXNPFEDSA-N 317.433 2.887 0 40 DFAB CC1(CCNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)OCCO1 97115762 FNEGPBLZMMOPIU-WDEREUQCSA-N 324.343 2.560 0 40 DFAB COc1ccc(CN(C(=O)[C@H]2CCOC2)C(C)(C)C)c(OC)c1 97165003 YTSIUJGFVKEWBN-AWEZNQCLSA-N 321.417 2.867 0 40 DFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccccn1 79723827 WIFVTIJIVGZRCM-UHFFFAOYSA-N 324.384 2.526 0 40 DFAB COCCC1(C(=O)N[C@H](C)Cn2nc(C)cc2C)CCCC1 95414684 GGGFNVPCZDXUNC-CQSZACIVSA-N 307.438 2.602 0 40 DFAB O=C(Cc1ccon1)Nc1nc(-c2ccc(O)cc2)cs1 95443359 GNAMFYOFRLZDOC-UHFFFAOYSA-N 301.327 2.685 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H](C)c2cnn(C)c2)c1 95464426 ILIMUUAOHOVZKC-UONOGXRCSA-N 301.390 2.715 0 40 DFAB CS[C@H]1CCC[C@@H]1N(C)C(=O)c1ccc2c(c1)ncn2C 95435368 HDBYWYGANLIWRN-GJZGRUSLSA-N 303.431 2.929 0 40 DFAB O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc[nH]1 95446301 FHPBWXICPMURQH-UHFFFAOYSA-N 306.312 2.729 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)Nc2ccc(Cl)cc2)no1 95998894 XAHSOZCYIIDNNQ-GFCCVEGCSA-N 322.752 2.637 0 40 DFAB COc1cccc(CNc2ccc(Cl)c(CO)n2)c1OC 95990304 OURGWXVNZBPEIR-UHFFFAOYSA-N 308.765 2.857 0 40 DFAB C[C@]1(NS(=O)(=O)CC[C@@H]2CCCO2)CCCc2ccccc21 95966099 PBNFELRDPATHNQ-RDJZCZTQSA-N 323.458 2.727 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)NCCC[C@@H]2CCCCO2)C1 95940518 KORVNUBEKPLNGV-MELADBBJSA-N 300.468 2.919 0 40 DFAB COC(=O)CCCN(C)C(=O)c1cc2ccccc2c(Cl)n1 95949147 DLGAKTLVEAEBDQ-UHFFFAOYSA-N 320.776 2.913 0 40 DFAB CCc1nc(CC(=O)N[C@@H](CC(=O)O)c2cccs2)cs1 89289902 IYPIZBPINFLQMB-JTQLQIEISA-N 324.427 2.642 0 40 DFAB CCc1noc(CN(C)C(=O)[C@@H](C)OC2CCCCCC2)n1 89290050 YIJKINGCLQDJDW-GFCCVEGCSA-N 309.410 2.718 0 40 DFAB CN(C(=O)N[C@H](Cc1nccn1C)c1ccccc1)C1CCC1 74869439 DUJWGFDIJYVZST-MRXNPFEDSA-N 312.417 2.898 0 40 DFAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccnn1C 89574070 HMYPMUXGOOXPIC-SECBINFHSA-N 324.178 2.589 0 40 DFAB O=C(CCCNC(=O)C1CC1)N[C@@H](c1ccccc1)C1CCC1 89825996 ZXZANLAVFWMARQ-SFHVURJKSA-N 314.429 2.950 0 40 DFAB Cc1cc2c(cc1C)CN(CC(=O)NCCc1ccccc1)C2 409204181 CVYUSCOQFQMSKO-UHFFFAOYSA-N 308.425 2.978 0 40 DFAB CNC(=O)Cc1ccc(-c2noc(C[C@H]3CC=CCC3)n2)cc1 1548454015 WENAUOUCEPMLQV-ZDUSSCGKSA-N 311.385 2.924 0 40 DFAB O=C(C[C@@H]1CC2(CCNCC2)Oc2ccccc21)N1CCCC1 306139757 TZTIMWWNKMTVCK-OAHLLOKOSA-N 314.429 2.687 0 40 DFAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1cccc(F)c1 32937595 XNUJUMRGXIHVMT-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB CC(C)c1ncc2c(n1)CCN([C@H]1Cc3ccccc3[C@@H]1O)C2 527618269 CCKOYAQIOKAREK-ROUUACIJSA-N 309.413 2.616 0 40 DFAB O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc2C1 1540505403 CKFQQIXHVZHLOP-OAHLLOKOSA-N 319.368 2.610 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 39918126 XLFHETCGLYNVRE-CQSZACIVSA-N 324.380 2.995 0 40 DFAB COC(=O)c1ccoc1CN1C[C@H](C)C(=O)Nc2ccccc21 72488790 OMFXALYUEJDZNF-NSHDSACASA-N 314.341 2.661 0 40 DFAB CCN1CCN(c2ncc([C@@H](N)c3ccccc3)cc2C)CC1 72222596 VJZPWCSVZTWIBZ-SFHVURJKSA-N 310.445 2.580 0 40 DFAB CCc1sc([C@H]2N[C@@H](C(=O)O)CS2)cc1Br 36612369 TYQDAKWUXOJSMN-MUWHJKNJSA-N 322.249 2.861 0 40 DFAB O=C(O)CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 37409921 SCXXJSVUSSJTBZ-GQCTYLIASA-N 302.157 2.988 0 40 DFAB O=C(C[C@@H]1OCCc2ccccc21)NCC1(O)CCCCC1 75209806 UHNRZJWKENWJHZ-INIZCTEOSA-N 303.402 2.502 0 40 DFAB Cc1ccccc1CN1CC[C@H](c2nnc(-c3cncn3C)o2)C1 49170493 BZKFUYBYLQSZOX-HNNXBMFYSA-N 323.400 2.768 0 40 DFAB biogenic,in-vitro C[C@H]1OCC[C@H]1c1nc(Cc2ccc(C(F)(F)F)nc2)no1 528249510 CZRJACPWEMAFEU-PSASIEDQSA-N 313.279 2.967 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccn1 40490101 XLLCGLPVDQRSMK-MFKMUULPSA-N 313.332 2.524 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 40309091 YJMHSDYDXLXYNH-WBMJQRKESA-N 302.374 2.647 0 40 DFAB biogenic CCCNc1ccccc1NC(=O)[C@H](C)N1CCSCC1 190141267 BMRAMEBYBKBDNL-ZDUSSCGKSA-N 307.463 2.884 0 40 DFAB O=C(O)C[C@H](CC(=O)NCCc1ccco1)c1ccccc1 226753719 SIIDSJPQILCWIL-AWEZNQCLSA-N 301.342 2.587 0 40 DFAB Cc1ccccc1OS(=O)(=O)c1cc(C(=O)O)ccc1C 226857496 IXCGVTBWRBRMCN-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB C[C@@H]1CCCN1C(=O)CCN(C)Cc1cccc(N(C)C)c1 89923307 UPMMDPCWCBQJAK-OAHLLOKOSA-N 303.450 2.585 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2OC)cc1 224858184 MDCYOAOFPODZPR-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB COC(=O)c1cc(NC(=O)C(C)(C)OC)ccc1OCC(C)C 225788930 BJEJZEDTGPTEEG-UHFFFAOYSA-N 323.389 2.872 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 96441196 RUWCUFVTNGRUEU-AWEZNQCLSA-N 323.400 2.888 0 40 DFAB Cc1ccc(CCNC(=O)N2CCC(OCC3CC3)CC2)cn1 96440096 JXZZKEBSFPVFTP-UHFFFAOYSA-N 317.433 2.533 0 40 DFAB Fc1ccc(-n2ccc(Cn3ccnc3-c3cnccn3)n2)cc1 96424902 PFXZYJNIWNEIOO-UHFFFAOYSA-N 320.331 2.713 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2)C[C@H](C)O1 96422015 AGPBLZIOSYREGQ-BBRMVZONSA-N 314.389 2.904 0 40 DFAB COc1cccc(CN(C)C(=O)C[C@@H](O)c2cccc(F)c2)c1 90820627 NIIIJANMVOMZFD-QGZVFWFLSA-N 317.360 2.916 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cccnc2)C1 96416082 QQXGUKUYPMOTHD-HUUCEWRRSA-N 323.396 2.733 0 40 DFAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](OCC1CC1)CO2 96106612 GQMVXWPGOPWLHJ-HNNXBMFYSA-N 319.401 2.778 0 40 DFAB c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccco2)c1 96041362 LBQLAJNHWFETRV-BZSNNMDCSA-N 314.385 2.623 0 40 DFAB COc1cccc([C@H](C)Cc2nc(C(C)(C)NC(C)=O)no2)c1 96460629 JEAWFLJZCGHPJS-LLVKDONJSA-N 317.389 2.796 0 40 DFAB CC(=O)N1CCC(c2cncc(-c3scnc3C)n2)CC1 257339862 ZDMVEEISIRBUSJ-UHFFFAOYSA-N 302.403 2.634 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257343065 ZRIKKSHXOOZYQC-CQSZACIVSA-N 309.373 2.652 0 40 DFAB Cn1nccc1C(=O)N1C[C@H]2CC[C@H](Cc3ccccc3)[C@H]2C1 257212893 CFJQAKNCHCSYQO-BRWVUGGUSA-N 309.413 2.761 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 253388605 CIQUPAWEZPCODJ-NILFDRSVSA-N 303.358 2.539 0 40 DFAB CC(=O)N1CC[C@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257276472 NTWHUPZYRZIDLG-LBPRGKRZSA-N 317.418 2.629 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cncnc2)nc1 257297206 RGHVTMSTGRSJBG-SFHVURJKSA-N 316.364 2.956 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 257261717 LINQBHNQPSQZND-KRWDZBQOSA-N 311.385 2.918 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N(C)CC(F)(F)F)cc(C)c1O 252500738 TUTUMZPOZRNBDN-SNVBAGLBSA-N 304.312 2.830 0 40 DFAB Cc1ccc(F)cc1C(=O)N[C@@H](CO)Cc1ccc(F)cc1 390834069 REICYDHFDAAQDR-OAHLLOKOSA-N 305.324 2.607 0 40 DFAB c1ccc(CN2Cc3ccnn3[C@@H](CCN3CCCC3)C2)cc1 585112336 NGNYZWNYMLSBCY-IBGZPJMESA-N 310.445 2.926 0 40 DFAB Cc1ccsc1CN(C)C(=O)N[C@H](C)C(=O)N1CCCCC1 58264963 CQGWOMIZECMJLF-CYBMUJFWSA-N 323.462 2.599 0 40 DFAB O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCC[C@@H](O)C1 69880053 INQLHIIPDPAOAL-CQSZACIVSA-N 321.396 2.805 0 40 DFAB CCN(C)c1ccccc1NC(=O)NCc1csc(NC)n1 79062845 MSAUBYLNJWJHPB-UHFFFAOYSA-N 319.434 2.963 0 40 DFAB COC1CCN(CCNC(=O)c2cccc3ccccc23)CC1 79669423 DMXRYNNPEJZELY-UHFFFAOYSA-N 312.413 2.680 0 40 DFAB Cc1nc2ncc(C(=O)N(C[C@@H]3CCCCO3)C(C)C)cc2[nH]1 97108999 RWNGBJIYHMVBJD-AWEZNQCLSA-N 316.405 2.686 0 40 DFAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 5251104 KEUZMDGBQBPRFI-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB Cc1nc2c(c(NCCc3ccccc3F)n1)CCN(C)C2 19286271 BRXSPRBUTDEZQO-UHFFFAOYSA-N 300.381 2.567 0 40 DFAB Cc1ccccc1CN1CCC[C@@H](C(=O)N2CCSCC2)C1 1889138983 ISXOCVPVPRPJPQ-QGZVFWFLSA-N 318.486 2.782 0 40 DFAB COc1cccc(CN2c3cc(F)ccc3N(C)S2(=O)=O)c1 575609197 RKPAVHXHZUTWSH-UHFFFAOYSA-N 322.361 2.536 0 40 DFAB O=C1CNC(=S)N1CCC(c1ccccc1)c1ccccc1 4940189 JUWFRCNOJMUMHR-UHFFFAOYSA-N 310.422 2.925 0 40 DFAB O=C(CNC(=O)c1cccs1)N[C@H]1CCCc2ccccc21 8084003 CTZQHGOPFNBOAJ-AWEZNQCLSA-N 314.410 2.672 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(O)cc12 95616867 ODGCHOUNSJKEDQ-UHFFFAOYSA-N 318.373 2.613 0 40 DFAB O=C(O)/C=C\C(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 101067188 KITOTVNYLXMYEF-ISALQUGTSA-N 316.338 2.660 0 40 DFAB Cc1occc(=O)c1OCC(=O)Nc1ccc(F)c(Cl)c1 40287392 ODPSMZHRFPWTHO-UHFFFAOYSA-N 311.696 2.758 0 40 DFAB CCCn1c(NC(=O)/C=C/c2cnn(C)c2)nc2ccccc21 20675927 MRIQPMGCSDRHEB-CMDGGOBGSA-N 309.373 2.832 0 40 DFAB COC(=O)Nc1ccc(F)c(F)c1I 91351944 FROMEOLFFRIMHQ-UHFFFAOYSA-N 313.041 2.748 0 40 DFAB CC(C)c1nc2c(n1C)CCN(Cc1nc3ccccc3n1C)C2 69706136 ZRMLLTNDYZPCTI-UHFFFAOYSA-N 323.444 2.989 0 40 DFAB Cc1cc(=O)[nH]c(SCc2cn3cc(Cl)ccc3n2)n1 2659308 QGJNYZRCSDGKMF-UHFFFAOYSA-N 306.778 2.672 0 40 DFAB Cc1ccccc1N1C(=O)/C(=C\c2ccc(O)cc2)NC1=S 101998682 ODBYDDOUDHCTEB-GXDHUFHOSA-N 310.378 2.963 0 40 DFAB NC(=O)c1ccccc1OCC(=O)Nc1cccc2ccccc12 4562622 WVSYZKFEZABMDX-UHFFFAOYSA-N 320.348 2.956 0 40 DFAB COc1ccccc1OCC(=O)Nc1nnc(CC(C)C)s1 4694995 ODDCEHXAMZUSSD-UHFFFAOYSA-N 321.402 2.763 0 40 DFAB CC(=O)Nc1cccc(OCCNc2cc(Cl)nc(C)n2)c1 70014353 XEFOVPSVSRZDRK-UHFFFAOYSA-N 320.780 2.888 0 40 DFAB O=S(=O)(c1c(F)cccc1F)N(Cc1ccco1)C1CC1 37170352 QSUAPNYEXHIRNP-UHFFFAOYSA-N 313.325 2.911 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1ccccc1Br 12021078 AYUZQSCDYHALLT-LLVKDONJSA-N 312.163 2.528 0 40 DFAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ccccc1 8030009 JNOGNSWNSWLZFS-JTQLQIEISA-N 323.345 2.563 0 40 DFAB CN(C)c1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1 57823129 MEOAYRYNNFKCSR-UHFFFAOYSA-N 302.809 2.975 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 9064239 UXZHTHAWTSXDKC-UHFFFAOYSA-N 304.371 2.662 0 40 DFAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)nc1 22389196 SZKCSHQDWYOJOL-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB O=c1[nH]c(Cc2ccc(-n3cccn3)cc2)nc2ccccc12 53846150 QQUGCKQZSLGNPK-UHFFFAOYSA-N 302.337 2.700 0 40 DFAB Cc1n[nH]c(SCCCc2nc(-c3cccs3)no2)n1 22988919 WFAQRQXWKWOWPY-UHFFFAOYSA-N 307.404 2.950 0 40 DFAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccccc1 102402510 OEWVDOHGIAUIJD-STQMWFEESA-N 315.369 2.564 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 106032382 GKABDMDDQMJHLC-DIMBHLCBSA-N 306.450 2.622 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](C)C1 9853822 WZADJTHERMANDP-NSHDSACASA-N 319.792 2.695 0 40 DFAB C[C@H](NC(=O)c1nn2cccnc2c1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101607823 QJKFDLJBQLZEKD-IRCOFANPSA-N 318.808 2.937 0 40 DFAB Fc1ccc(-c2nnc(Cc3nc(-c4cccnc4)no3)o2)cc1 65185502 UKATZSUREUIYTP-UHFFFAOYSA-N 323.287 2.912 0 40 DFAB O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 27443207 ILXXWSRRJBQITE-UHFFFAOYSA-N 304.287 2.582 0 40 DFAB O=C(COC(=O)c1cccnc1Cl)Nc1cccc(F)c1 3396826 YQVURPPIIQZZFJ-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB COC(=O)C1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1 58343398 HSZITBGIRFOYIV-UHFFFAOYSA-N 305.374 2.541 0 40 DFAB CCOC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2)CC1 12871125 MDFAOYFQLBWCNW-ZDUSSCGKSA-N 319.405 2.668 0 40 DFAB C[C@H]1CN(CC2CCN(C(=O)CC(C)(C)C)CC2)C[C@H](C)O1 69452702 QVFMSTJCILGXCS-GJZGRUSLSA-N 310.482 2.770 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)NOCc1ccccc1 69419587 SNEVGMANVMVOPL-UHFFFAOYSA-N 322.368 2.803 0 40 DFAB CS(=O)(=O)/N=C(\O)[C@@H](Oc1ccccc1)c1ccccc1 48486859 IEPXRVKJVKMDHW-AWEZNQCLSA-N 305.355 2.723 0 40 DFAB NC(=O)c1cccnc1SCc1cc(Cl)c2c(c1)OCO2 12917405 JMEMWMUBNTZVER-UHFFFAOYSA-N 322.773 2.855 0 40 DFAB CSc1nc(C)c(CCOC(=O)c2cccc(C)c2)c(=O)[nH]1 13143923 VCLFYSITBJHJJU-UHFFFAOYSA-N 318.398 2.508 0 40 DFAB Cn1cc(C(=O)Oc2ccc(F)cc2F)c(C(F)(F)F)n1 4060298 UNAOENOOFGWMEX-UHFFFAOYSA-N 306.190 2.936 0 40 DFAB O=C(c1nsnc1-c1ccccc1O)N1CCCCCC1 4017562 KNRHWBSHSHDDKB-UHFFFAOYSA-N 303.387 2.927 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 69560816 ZYNVLMLSEIDBBT-FMQWLBJXSA-N 314.429 2.855 0 40 DFAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(C)c1 69508033 PNERHTVPRWJDEM-IBGZPJMESA-N 322.408 2.585 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)COc1ccc(C)nc1 69873613 GGHPZWQOTNSKGW-UHFFFAOYSA-N 312.369 2.757 0 40 DFAB Cc1cn2c(CN3CCS[C@H]4COCC[C@@H]43)c(C)nc2s1 91856595 JQURBPDTBIRQTN-JSGCOSHPSA-N 323.487 2.719 0 40 DFAB COc1ccc(CNC(=O)c2ccc(CN3CCCC3)o2)cc1 27984607 MSHNFSREXHBEKF-UHFFFAOYSA-N 314.385 2.814 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2CCCO2)c1 65499985 IUXIOEBNLJMYQN-HOCLYGCPSA-N 305.374 2.546 0 40 DFAB O=C(NCc1ccccc1-n1ccnc1)c1cc(Cl)ccn1 65737820 BAOKBUURBXXWPX-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2cccc3cccnc23)c1 14201465 ILTTXATVTRMKKH-UHFFFAOYSA-N 305.337 2.847 0 40 DFAB CC[C@@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 5451699 JPPGMMPKEPYQHG-MRXNPFEDSA-N 307.357 2.795 0 40 DFAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccn1C 8773456 ZNVQFHAPTGXART-LLVKDONJSA-N 318.398 2.931 0 40 DFAB CN(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)o1 5937938 ZMKJRAJDNCTQMP-UHFFFAOYSA-N 303.387 2.698 0 40 DFAB COc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1 7652352 BZIXLQBRXVASLT-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB COc1ccc(-c2nc(CC(=O)NC3CC3)cs2)cc1OC 8992586 UXEBZEJFTJCXIG-UHFFFAOYSA-N 318.398 2.648 0 40 DFAB CCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c2ccccc12 7880561 NVMUJJYJNXUSDP-LBPRGKRZSA-N 315.369 2.920 0 40 DFAB Cc1ccc(CC(=O)Nc2ccccc2-c2nncn2C)cc1 68726993 QJPUMCXRUBFZLU-UHFFFAOYSA-N 306.369 2.972 0 40 DFAB CCc1cc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)ccc1C 96003099 IIVQOGGCVLPTMQ-ZDUSSCGKSA-N 315.417 2.690 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1C 19736382 NPHDMJDCVRYVHS-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB COc1ccc(N2C(=O)C/C(=C\c3ccc(O)cc3)C2=O)cc1 9481781 BLWAUNZEKZQRMW-JLHYYAGUSA-N 309.321 2.748 0 40 DFAB O=C(c1cccc(O)c1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 97060250 TYUIPOLCNIANHJ-KRWDZBQOSA-N 315.344 2.870 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](n2ccnc2CC)C1 71870689 IXJSNDZOLSGJTE-ZDUSSCGKSA-N 316.405 2.782 0 40 DFAB CCN(C(=O)CNc1cccc(C)c1C(N)=O)c1ccccc1 71983406 LYKVZFVPTLQFFT-UHFFFAOYSA-N 311.385 2.559 0 40 DFAB Cc1ccnc(NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)n1 72290379 PHYHLVFNJZGJMF-KGLIPLIRSA-N 318.446 2.720 0 40 DFAB CN1CCO[C@H](CNCc2csc(C3CCCCC3)n2)C1 72267898 QNNRNTSCVAVLJG-OAHLLOKOSA-N 309.479 2.611 0 40 DFAB Cc1ccc2c(O)c(C(=O)NC3Cc4ccccc4C3)cnc2n1 97140855 CHQIUKZGPRMFMX-UHFFFAOYSA-N 319.364 2.541 0 40 DFAB CCCOc1cc(C)ccc1CNC(=O)N1CC[C@H]([C@@H](C)O)C1 97108017 ZMCOSSTVTWTBBD-ZBFHGGJFSA-N 320.433 2.696 0 40 DFAB Cn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 72331328 FFVOTJVMTVOQCC-UHFFFAOYSA-N 320.396 2.536 0 40 DFAB Cc1ccc2[nH]nc(C(=O)NCCN(C(C)C)C(C)C)c2c1 97212025 NOVVVMRROIJCFJ-UHFFFAOYSA-N 302.422 2.720 0 40 DFAB O=C(NNc1ncccn1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502099 IURKQMJLJKNCJP-WDEREUQCSA-N 322.290 2.742 0 40 DFAB CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2)[C@H](C)C1 84780011 XFOIXMRQNJCTNB-CZUORRHYSA-N 305.422 2.889 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 95400457 SYLGOLZLBLCGKB-NYDNWHMGSA-N 321.367 2.998 0 40 DFAB O=C(Nc1ccc(OCCO)cc1)c1ccn(C2CCCC2)n1 95447852 KNEYWOQNMSQCEA-UHFFFAOYSA-N 315.373 2.622 0 40 DFAB c1ccc(-c2nc(CSCCN3CCOCC3)cs2)nc1 95977061 SNYNOVQXZQCWDE-UHFFFAOYSA-N 321.471 2.771 0 40 DFAB CN(Cc1cccc(C(N)=O)c1)c1ccc(Br)cn1 95960775 HNFISKAUUXFFQI-UHFFFAOYSA-N 320.190 2.579 0 40 DFAB Cc1cc2c(cc1C)[C@H](NC[C@H](O)c1cnn(C)c1)CCCO2 95968540 TWZNRCMIBASLOP-SJORKVTESA-N 315.417 2.574 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c1O 78997645 YRYAPTNAWYNSIK-OYHNWAKOSA-N 317.410 2.550 0 40 DFAB c1csc(-c2nc(CNc3ccc(-n4cncn4)cc3)no2)c1 79065865 NOYBOGWHHSXAFP-UHFFFAOYSA-N 324.369 2.991 0 40 DFAB CNc1nc(CNC(=O)Nc2ccc(OC)cc2C)cs1 79062795 BHELXVIVXIGCQE-UHFFFAOYSA-N 306.391 2.824 0 40 DFAB Cc1cccc(OCCCN2C(=O)NC3(CCCC3)C2=O)c1 9913101 JZVBCXORNLJQRJ-UHFFFAOYSA-N 302.374 2.629 0 40 DFAB CC(C)n1ccc(CCNC(=O)N2C[C@H]3CCCC[C@H]3C2)n1 89894097 LULYAIPKXWSWMA-GASCZTMLSA-N 304.438 2.838 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)cc1 551238673 AMSABUYTPOGXHW-OAHLLOKOSA-N 317.366 2.521 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 123365540 RPSMMZVJXWXNQX-KCAJBWTJSA-N 306.446 2.930 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79349341 YKFDEQFOLPBXHC-NVXWUHKLSA-N 302.422 2.804 0 40 DFAB O[C@H]1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)C1 79439672 BBUBERKYDYSJPD-HNNXBMFYSA-N 311.360 2.795 0 40 DFAB COc1cc(-c2noc(-c3ccc(O)cc3)n2)cc2c1OCO2 66087746 KUWYWVBDYMRMTB-UHFFFAOYSA-N 312.281 2.847 0 40 DFAB CS[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)C1 72794395 SJAXVOMRXDPIOT-CABCVRRESA-N 310.438 2.658 0 40 DFAB O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1c1ccccc1 49060270 IGFLOJLPMDPUCT-ZDUSSCGKSA-N 306.325 2.652 0 40 DFAB CCCCOCc1cc(C(=O)NC[C@H]2CCCO2)ccc1OC 224434939 ULVXOTBJBWISSW-MRXNPFEDSA-N 321.417 2.921 0 40 DFAB C[C@]1(C(=O)N2CCC[C@@H](CCC(=O)O)C2)CC1(Cl)Cl 195552089 ZYCDIUQHIIYFLO-JOYOIKCWSA-N 308.205 2.674 0 40 DFAB O=C(CN1CCC[C@H]1c1cccc(F)c1)NCc1cccnc1 96405525 IXCQKNWKBMLBEN-KRWDZBQOSA-N 313.376 2.674 0 40 DFAB CC(=O)N1Cc2cc(F)ccc2C2(CCN(C(C)C)CC2)C1 96261754 PPMHMDVYUGDNLK-UHFFFAOYSA-N 304.409 2.930 0 40 DFAB O=C(CC1CC1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238783 LMOVQOJQBNDXFJ-SFHVURJKSA-N 316.376 2.581 0 40 DFAB O=C1C[C@@]2(CCCCN2C(=O)c2ccsc2)CN1CC1CC1 96217368 PIZIMCRNZSKJML-KRWDZBQOSA-N 318.442 2.755 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@H]12 96058428 IDOZTHVDEJBFEB-PKOBYXMFSA-N 310.397 2.768 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 97231353 CSHSIVPDIHBJRS-ZSZQSSIHSA-N 313.397 2.604 0 40 DFAB Cc1cccc(CN2C[C@@H]3CN(Cc4ccc(C)o4)C[C@@H]3C2=O)c1 96053704 RDYNKIXJNYROHX-HKUYNNGSSA-N 324.424 2.987 0 40 DFAB Cc1cnc(Nc2nccc([C@H]3CCCCN3CCO)n2)s1 257226419 FKOHVHFDCCDJRU-CYBMUJFWSA-N 319.434 2.504 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCC[C@H]1c1cnccn1 257234747 GUXKACZCUCBLFM-SFHVURJKSA-N 322.412 2.593 0 40 DFAB Cc1nnc([C@H]2CCCN(c3ncnc4ccsc34)C2)o1 624302394 RLYRFMQTCQDVAL-JTQLQIEISA-N 301.375 2.767 0 40 DFAB Cc1nccnc1CC[C@@H]1COCCN1Cc1ccsc1 257281609 OQCKYBXUGNBPSW-OAHLLOKOSA-N 303.431 2.680 0 40 DFAB CC(=O)N1CCC(c2cccc(N3C(=O)OCC3(C)C)n2)CC1 257333187 YANZJBRGNFGPTA-UHFFFAOYSA-N 317.389 2.543 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@H](c2ccncn2)C1 257333953 YDVOBFLKHWPDFR-ZDUSSCGKSA-N 301.415 2.877 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)o1 42092658 IZMFNBHICYFFPZ-PSZCTONISA-N 316.401 2.673 0 40 DFAB C[C@H]1C[C@@H](C)C[C@H](c2noc(-c3cccn4c(=O)[nH]nc34)n2)C1 274251012 YOCDDSGIQPIHHZ-URLYPYJESA-N 313.361 2.612 0 40 DFAB Cc1nsc(C)c1C(=O)N1CCOc2cc(O)ccc2C1 293585913 ICQMTOXJHZMXIY-UHFFFAOYSA-N 304.371 2.500 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 390826196 FGDMNXPUJIYRLI-LBPRGKRZSA-N 318.327 2.521 0 40 DFAB CN(C)c1nc([C@H]2CCCN(c3ccncn3)C2)cn2cccc12 585178767 RSAXBGWEWUSEGP-AWEZNQCLSA-N 322.416 2.574 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccn2)c1 43878654 PVFHBRMPDJMXHT-LLVKDONJSA-N 301.346 2.982 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1 72298853 UTTMVSGAECVQFH-SNVBAGLBSA-N 322.352 2.736 0 40 DFAB CO[C@]1(CNC(=O)c2c(F)cccc2Cl)CCSC1 96097573 YGPCKOGWINLPJP-ZDUSSCGKSA-N 303.786 2.731 0 40 DFAB CCOC(=O)[C@H](C)[C@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1 96316098 UCPQPKUCXPJAGY-OTYXRUKQSA-N 308.765 2.963 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84065595 SKHSYAQCMZDDPX-JTQLQIEISA-N 304.375 2.689 0 40 DFAB Cn1cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)cn1 681295475 LXMQYXQOEZUQFY-ZDUSSCGKSA-N 319.355 2.647 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1 5391242 DOTSNJUHOSTMAS-UHFFFAOYSA-N 322.748 2.994 0 40 DFAB C[C@@H]1[C@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C 5464503 MOSYSGPJTJMMDV-NXHRZFHOSA-N 318.461 2.763 0 40 DFAB O=C(COC(=O)c1c[nH]c2ccccc12)NCCc1ccccc1 5090511 MZWFXOYNVOWKLI-UHFFFAOYSA-N 322.364 2.684 0 40 DFAB Cc1cc(S[C@H](C)C(=O)NC(N)=O)nc2c(C)cccc12 5582483 DXRGYBNVEWWLPV-SNVBAGLBSA-N 303.387 2.527 0 40 DFAB Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@H]2CCOC2)n1 12226307 YQTRUCUWNVEWEC-WCQYABFASA-N 322.455 2.950 0 40 DFAB COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1OC 15421774 ZLZNMBITWJCNLV-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 18172548 SPEYBQKWONGMOH-UHFFFAOYSA-N 319.386 2.595 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCCC1 8931697 RWWSWUHSJMVJNT-UHFFFAOYSA-N 305.403 2.892 0 40 DFAB COc1ccc(OC)c(CCN2C(=O)c3ccccc3C2=O)c1 35077055 UBRSAHBMQOQDSR-UHFFFAOYSA-N 311.337 2.543 0 40 DFAB in-vitro COc1cccc(S(=O)(=O)NCC2(c3ccsc3)CC2)c1 1888930417 ZBWCZNSVQWLINN-UHFFFAOYSA-N 323.439 2.767 0 40 DFAB O=C(N[C@H]1CCCN(c2nccc3sccc23)C1)C1CC1 1889091561 DLBLBJWMTLDROX-LBPRGKRZSA-N 301.415 2.791 0 40 DFAB O=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)CCCC2 12234480 SIBUEOZQKHUJDB-UHFFFAOYSA-N 310.313 2.856 0 40 DFAB Cc1ccc(-c2nc(CC(=O)Nc3nncs3)cs2)o1 40073934 VBSIVJTXWLNMCO-UHFFFAOYSA-N 306.372 2.744 0 40 DFAB COC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccccc2)c1 40159340 SMKQXGYLMCQLCQ-CYBMUJFWSA-N 313.353 2.557 0 40 DFAB Cc1csc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)n1 40122738 IKGRPWALQVEYFL-UHFFFAOYSA-N 316.386 2.988 0 40 DFAB COc1cc(OC)c(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1OC 100224836 WSIQRYUXFHSGRV-RWMBFGLXSA-N 317.385 2.654 0 40 DFAB COC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCC2 20294774 RZHNCBHGEFDVMZ-UHFFFAOYSA-N 320.370 2.881 0 40 DFAB Nc1nc(Cl)cc(N2CCC(C(=O)c3ccccc3)CC2)n1 40497781 SEVFNXVOFPPKBP-UHFFFAOYSA-N 316.792 2.812 0 40 DFAB CN(C)C(=O)CCN1CCC(c2nc3ccccc3s2)CC1 40511223 BFZAMTOWAULHAH-UHFFFAOYSA-N 317.458 2.954 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 40553224 DPBIBEFARONRTN-GHMZBOCLSA-N 304.419 2.662 0 40 DFAB O=C(NCc1ccnc(OCC2CC2)c1)N1C[C@H]2CC[C@H]1C2 101033837 HVWMUAHTFFRULP-GJZGRUSLSA-N 301.390 2.564 0 40 DFAB Cc1nc(-c2cccc(NC(=O)Cc3ccccc3O)c2)n[nH]1 101649048 HFNHDQCUKNACBN-UHFFFAOYSA-N 308.341 2.667 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C[C@@H](C)O1 32879068 WLMZRHKFBJTCGJ-GHMZBOCLSA-N 319.792 2.980 0 40 DFAB O=C(NC1CC1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965530 NHJAEDJGNPLCNL-UHFFFAOYSA-N 321.808 2.863 0 40 DFAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1 6295597 IITPUOPQPMYNAD-UHFFFAOYSA-N 305.418 2.759 0 40 DFAB O=C1C[C@@H](C(=O)N2CCC(n3cccc3)CC2)c2ccccc2N1 60448804 SSKLUEGLHCUNSX-MRXNPFEDSA-N 323.396 2.778 0 40 DFAB COc1ccccc1NC1=CC(=O)N(Cc2ccccc2)C1=O 21945329 XMNVXXGNRLNMNI-UHFFFAOYSA-N 308.337 2.560 0 40 DFAB CCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 557479 KGFIAZUOCXTPNH-UHFFFAOYSA-N 317.433 2.730 0 40 DFAB NC(=O)c1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 10771033 ORYGRAAXMSBUGG-UHFFFAOYSA-N 321.739 2.629 0 40 DFAB COc1ccc(NC(=O)NCCC(=O)N2CCCC[C@H]2C)cc1 23192203 LTZORPMLASZDIQ-CYBMUJFWSA-N 319.405 2.608 0 40 DFAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc(C(F)(F)F)c1 23353838 BARIUWBGWGBQFW-UHFFFAOYSA-N 312.295 2.733 0 40 DFAB Nc1nc(Cl)cc(NC[C@H](c2ccco2)N2CCCCC2)n1 24056429 PAZKXNGUSJVZKY-LLVKDONJSA-N 321.812 2.944 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 12549908 OBSIFRRNUSSFIT-UHFFFAOYSA-N 311.385 2.755 0 40 DFAB Cc1cccc(N(C)C(=O)Cn2cnc3ccccc3c2=O)c1C 55896342 WBBMIXWJJDNLEY-UHFFFAOYSA-N 321.380 2.676 0 40 DFAB CCN(/C=C/c1nnnn1-c1ccc(Br)cc1)CC 55120932 TXYDLQHXSMWVNN-MDZDMXLPSA-N 322.210 2.737 0 40 DFAB O=c1cc(CN2CCC[C@H]2Cc2ccccc2)nc2ccccn12 25441427 AYNNHHMSEXSDDP-SFHVURJKSA-N 319.408 2.902 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cn1 56000364 VABZFPJYAWWBOE-KRWDZBQOSA-N 315.392 2.726 0 40 DFAB C[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CCOC1 89904173 IZXCQGWIGNHZRQ-PWSUYJOCSA-N 312.207 2.533 0 40 DFAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2C1=O 1750476 IKPZEOPTWLEMAQ-ZDUSSCGKSA-N 316.401 2.615 0 40 DFAB COc1ccc(CN[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 57369795 UKGWOTUGJAHANM-JJRVBVJISA-N 304.434 2.868 0 40 DFAB Cc1ccc(Oc2ccc(NC(=O)N[C@H](C)CO)cn2)cc1 57726474 RFEJZRQNSCKHAU-GFCCVEGCSA-N 301.346 2.685 0 40 DFAB Cc1ccnc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)n1 27976990 USCYOZUZXWUWAI-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB COc1ccc(Cc2nnc(SC[C@@H]3CCOC3)o2)cc1 58044808 GRXOCGIYIYOWMB-GFCCVEGCSA-N 306.387 2.798 0 40 DFAB Cc1ccc2c(CSc3nnnn3C3CC3)cc(=O)oc2c1 12621026 NHJMYCVPDGUWMT-UHFFFAOYSA-N 314.370 2.715 0 40 DFAB O=C(c1cnc(NC[C@H]2CCCO2)c(Cl)c1)N1CCCCC1 58430628 CQWLPBIUBWPRRX-CYBMUJFWSA-N 323.824 2.952 0 40 DFAB CCN(CC)C(=S)S[C@@H](NC=O)C(Cl)(Cl)Cl 2274706 JJZSINVTAAQEGC-ZCFIWIBFSA-N 323.698 2.789 0 40 DFAB Cc1ccc(NC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 37882341 ZCPQSAGHXUXKMU-MRXNPFEDSA-N 305.399 2.544 0 40 DFAB Cc1ccc(CNC(=O)Nc2ccc(-n3cccn3)nc2)cc1 48140429 LFAQZQNUJAYQLH-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB C[C@@H](NC(=O)COc1ncnc2sccc12)c1ccccc1 3317265 YCBVBZMYSVQONP-LLVKDONJSA-N 313.382 2.948 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C(C)C)C1 48290172 KUJJQFSVGKZFJA-HIFRSBDPSA-N 323.462 2.755 0 40 DFAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)c2ccccc2)C1=O 12889869 MEWFQKZNPZNETG-CQSZACIVSA-N 324.380 2.854 0 40 DFAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1 12811085 KDBNDZPPUUXODV-CYBMUJFWSA-N 314.385 2.655 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCc2c(C)noc2C)c(C)c1 60066270 HINCBVZMUGGIHX-UHFFFAOYSA-N 308.403 2.695 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)cc1 12990292 JOJRCCKGAYRRIO-HNNXBMFYSA-N 318.348 2.892 0 40 DFAB CCc1nc(CCNC(=O)c2ccc3c(c2)OCO3)sc1C 69558079 HPNUNLSOSGDWGZ-UHFFFAOYSA-N 318.398 2.715 0 40 DFAB Cc1nc(CN2CCC[C@H](NC/C=C/c3ccccc3)C2)no1 69531832 SSRQQHIDSCBVTP-MPNRVQBSSA-N 312.417 2.645 0 40 DFAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCC1CCCCC1 69666477 REJSKTPIAOJSRR-SNVBAGLBSA-N 319.434 2.530 0 40 DFAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 69654341 BRXVBGQOWQUPMF-SFHVURJKSA-N 318.376 2.666 0 40 DFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]1Cn1cncn1 69668294 GIFHHEIXWVOWSY-DZGCQCFKSA-N 324.388 2.554 0 40 DFAB CCc1cc2c(N3CCC(n4cncn4)CC3)ncnc2s1 63990961 ZRNPKOSVJDRTND-UHFFFAOYSA-N 314.418 2.687 0 40 DFAB C[C@H](NCC1CCN(CCO)CC1)c1ccc(F)c(Cl)c1 69810216 KESJUSRSOHJEIR-LBPRGKRZSA-N 314.832 2.834 0 40 DFAB CC(C)(C)C(=O)Cn1nnc(-c2ccc(Br)cc2)n1 5088154 SOGIXFFNTPDMFM-UHFFFAOYSA-N 323.194 2.718 0 40 DFAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2n1 14185682 QFTUHICLLVBQDV-UHFFFAOYSA-N 318.336 2.965 0 40 DFAB O[C@@H](CN1CCC(Cn2cccn2)CC1)c1ccc(F)c(F)c1 65608404 VEQMIFQBWYFGRF-KRWDZBQOSA-N 321.371 2.607 0 40 DFAB Cc1ccc2cccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)c2n1 66462267 LOBJPGRTEVPYOX-INIZCTEOSA-N 323.396 2.883 0 40 DFAB Nc1nccnc1C(=O)OCc1csc(-c2ccsc2)n1 14901943 ARYUEPHXPJATHD-UHFFFAOYSA-N 318.383 2.601 0 40 DFAB COc1cccc(CN(C)CC(=O)Nc2ccccc2F)c1 5936085 XSIBWHZAEREABU-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB Fc1ccc2c(c1)[C@@H](NCCn1cnnc1C1CC1)CCCO2 90033587 SPVSYEAZNADTFK-HNNXBMFYSA-N 316.380 2.798 0 40 DFAB COc1cccc(N2CCN(Cc3cn4ccccc4n3)CC2)c1 7285715 WKAGHDGYROFFQU-UHFFFAOYSA-N 322.412 2.665 0 40 DFAB Cn1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c2ccccc21 67660226 CODRDFKNSWDVEO-UHFFFAOYSA-N 309.251 2.568 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 67617573 ZBVUCNCBESZPRB-CQSZACIVSA-N 308.809 2.813 0 40 DFAB Cn1cnnc1SCCCc1nc(-c2cccs2)no1 19353240 UFNRWDJKERVBGK-UHFFFAOYSA-N 307.404 2.652 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)c1n[nH]c2ccccc12 8134608 XLEJWRAUQRNKFM-UHFFFAOYSA-N 319.368 2.651 0 40 DFAB CC(C)(C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 9417295 BPONVPVOKVTWNG-UHFFFAOYSA-N 323.443 2.914 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)CCc2nc3ccccc3o2)cn1 71796972 BNNZMRZYWJLQLL-OAHLLOKOSA-N 324.384 2.858 0 40 DFAB Cc1noc([C@@H](NC(=O)CCC(=O)c2cccs2)C(C)C)n1 71899365 JOCVPPPHFOJCHF-AWEZNQCLSA-N 321.402 2.916 0 40 DFAB C[C@@H]1CN(C(=O)c2cccnc2N2CCCCC2)CC(C)(C)O1 71831190 QLWZWXSWNPEPQS-CQSZACIVSA-N 317.433 2.711 0 40 DFAB O=C(c1ccc(-n2ccnn2)cc1)N1CCCc2cccc(O)c21 97048503 POIHBZBPPGJGDL-UHFFFAOYSA-N 320.352 2.566 0 40 DFAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)on1 72295343 NCUHJMOFEBWKPU-ZYHUDNBSSA-N 318.377 2.899 0 40 DFAB CCOC(=O)c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2 95093442 QMADFFRBGJZOQF-UHFFFAOYSA-N 306.362 2.552 0 40 DFAB C[S@](=O)c1cccc(NC(=O)NC[C@]2(C)CCCS2)c1 84673474 WOQFEPXPOOGTSN-VBKZILBWSA-N 312.460 2.831 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CCOCC1 95426248 BFKAHWKQDJLVGB-DZGCQCFKSA-N 310.438 2.593 0 40 DFAB COC[C@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95950705 AJUJCWXUBXUNHR-LBPRGKRZSA-N 302.374 2.686 0 40 DFAB CCn1c(SCC[C@@H]2CCCN2C)nnc1-c1cccnc1 95975946 FNDOPUGMOOVYKM-AWEZNQCLSA-N 317.462 2.936 0 40 DFAB CCc1ccc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9996232 SAWCYLZZHJISNW-UHFFFAOYSA-N 312.413 2.803 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1 75130569 KDUUSYWJAABZSP-ZACQAIPSSA-N 324.428 2.899 0 40 DFAB O=C(NC[C@H](O)c1cccs1)c1cc(F)c(F)c(F)c1 89799949 RMNQPPQHOYGATQ-JTQLQIEISA-N 301.289 2.629 0 40 DFAB O=C(Nc1ccnn1CC1CC1)c1[nH]nc(C2CC2)c1Cl 89885081 VIUDUTAGJJEMOP-UHFFFAOYSA-N 305.769 2.799 0 40 DFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1ccsc1 89885439 KNAOZJKLVDOXEQ-OAHLLOKOSA-N 314.410 2.902 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 67197814 VEJBXNUHDPEOSW-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB O=C(N[C@H]1CC12CCCC2)[C@@H]1CCCN(c2ccccc2)C1=O 507269064 VOAFUNJPTOUNFB-HOTGVXAUSA-N 312.413 2.879 0 40 DFAB Cc1cc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)no1 31651906 YMZDXINMFIOQMO-UHFFFAOYSA-N 308.721 2.637 0 40 DFAB CC1(C)NC(=O)N(CCCOc2cccc3ccccc23)C1=O 60512610 QDDOEQIWMLWVOI-UHFFFAOYSA-N 312.369 2.939 0 40 DFAB COc1cccc(OC(=O)CCc2nncn2-c2ccccc2)c1 76810618 HCKQYXFRDVOLHU-UHFFFAOYSA-N 323.352 2.814 0 40 DFAB COc1ccccc1C1(O)CCN(C(=O)OC(C)(C)C)CC1 79033302 BVCNYTQHKRSBMX-UHFFFAOYSA-N 307.390 2.914 0 40 DFAB Cc1ccnc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203111 UQPASTHNBWHOGF-CYBMUJFWSA-N 307.394 2.811 0 40 DFAB Cc1nn(C[C@@H](C)C(=O)NCc2ccccn2)c(C)c1Cl 32508859 NILNCWUUHAUGBI-SNVBAGLBSA-N 306.797 2.501 0 40 DFAB Cn1nc([C@H]2CCCN(CCc3ccccc3)C2)c2nccnc21 72393835 QXRXAKFTKYIIDZ-INIZCTEOSA-N 321.428 2.785 0 40 DFAB COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2C2CCCC2)cc1 49466671 RXIXADNAMGNHKI-ZBFHGGJFSA-N 303.358 2.612 0 40 DFAB COc1cccc(CNc2nnc(-c3cc(C)oc3C)o2)n1 191554711 MQVACUDAGGHAMB-UHFFFAOYSA-N 300.318 2.962 0 40 DFAB CCc1cccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1O 574723852 DLSSAHBJWMMKHP-ZDUSSCGKSA-N 302.418 2.511 0 40 DFAB c1cc2c(cc1-c1noc([C@@H]3CCCc4[nH]ncc43)n1)OCO2 195538259 JPKQTNJDVVATDY-SNVBAGLBSA-N 310.313 2.657 0 40 DFAB CC(=O)c1cccc(COC(=O)c2cc(-n3cccn3)ccn2)c1 95438210 QDVRMGFJHQWOGQ-UHFFFAOYSA-N 321.336 2.827 0 40 DFAB CCOCCNC(=O)Nc1ccc(Br)c(OC)c1 96446059 XEOXUGFJULURJO-UHFFFAOYSA-N 317.183 2.616 0 40 DFAB COC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1C(C)C 96051750 JHHBVQZBIBYOKB-OAHLLOKOSA-N 323.506 2.854 0 40 DFAB Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)NC(C)C)O[C@@H]3C2)s1 96220319 YYWPIKBOWQHRQU-OFQRWUPVSA-N 322.474 2.561 0 40 DFAB COc1ccccc1SC[C@@H](C)CNC(=O)c1nccn1C 96421358 YBGHOUCBXIRTLD-LBPRGKRZSA-N 319.430 2.587 0 40 DFAB COc1cccc([C@H](N)c2nc(-c3ccccc3OC)n[nH]2)c1 95533572 RNMPSVHPNNBXSJ-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB CC(C)N(C)CC(=O)Nc1nccn1Cc1ccccc1Cl 96406404 RTBAILYFGRJPEN-UHFFFAOYSA-N 320.824 2.864 0 40 DFAB Cc1ccccc1N1CCN([C@H](C(=O)O)c2ccccc2)CC1 91690131 VZULPSMRQUSOEM-SFHVURJKSA-N 310.397 2.943 0 40 DFAB O=C(c1c[nH]cn1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 257204567 AVFXQTPSZLDOSV-CYBMUJFWSA-N 306.369 2.663 0 40 DFAB CC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 257321143 WAFSAEQQVKJOJQ-GFCCVEGCSA-N 317.418 2.629 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCn2nc3c(c2C1)CCC3 253472416 MCQVNKBOBUUIBO-UHFFFAOYSA-N 307.806 2.743 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)O)c(O)c1 386418215 OQIYSNDRGMYIJJ-FPYGCLRLSA-N 301.273 2.881 0 40 DFAB C[C@@H](OC(N)=O)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1 232319278 XXTBYQQBYLDROJ-SNVBAGLBSA-N 324.340 2.972 0 40 DFAB Cc1oncc1CNC(=O)c1ccccc1OC(F)(F)F 575604711 DNHBBAHTURQYSO-UHFFFAOYSA-N 300.236 2.812 0 40 DFAB CC(C)(O)CSCCNc1cncc(Br)c1 84370320 QOKVDQZYLUDKNB-UHFFFAOYSA-N 305.241 2.760 0 40 DFAB Cc1cnc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1548454016 WQIIPFMGULMGJP-LSDHHAIUSA-N 315.348 2.590 0 40 DFAB CCN(CC)CCCNS(=O)(=O)c1c(C)cc(C)cc1C 5453176 IHKWGACUDYLYNQ-UHFFFAOYSA-N 312.479 2.622 0 40 DFAB Cc1c(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cnn1C 19553275 OSYXVQNXMVITIF-ZDUSSCGKSA-N 323.400 2.625 0 40 DFAB COc1ccc(NC(=O)c2ccc3nccn3n2)cc1Cl 1889186891 FZWAJZCSSPYDMZ-UHFFFAOYSA-N 302.721 2.644 0 40 DFAB Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1 40162534 WXYJENYOFWRDJA-UHFFFAOYSA-N 300.742 2.862 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(C)c1Br 28576358 VYBGPKKVDVITJE-VIFPVBQESA-N 314.227 2.521 0 40 DFAB CC1(C)CC(=O)c2cnc(N[C@H]3OC(=O)c4ccccc43)nc2C1 106051 XHPXPXILPKKVCK-HNNXBMFYSA-N 323.352 2.913 0 40 DFAB biogenic CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 212295 NNOPQDQTCHRKKW-JOCHJYFZSA-N 317.414 2.682 0 40 DFAB CCn1c(C)nnc1SCCCOc1ccccc1C=O 8731751 GRFITXPXUNGAPV-UHFFFAOYSA-N 305.403 2.980 0 40 DFAB CCCCN(C)CC(=O)Nc1cc(N(C)C)nc2ccccc12 20033361 VCCOJDXBOKHJSD-UHFFFAOYSA-N 314.433 2.971 0 40 DFAB O=C(NCCc1ccc(Cl)s1)[C@@H]1COc2ccccc2O1 40122192 HGVJYWBTEHJIAH-ZDUSSCGKSA-N 323.801 2.900 0 40 DFAB COc1ccc(OC)c(CNCc2ccnc(-n3cccn3)c2)c1 30900998 NHBMWVFLGMJRIF-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB COc1ccccc1CNC(=O)NCCCN1CCC(C)CC1 30992404 GSMHWMLSNHESNV-UHFFFAOYSA-N 319.449 2.616 0 40 DFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cccnc2)c1 40541799 KSXSQODXVANGBN-ZDUSSCGKSA-N 311.385 2.540 0 40 DFAB c1cnc(N2CCC[C@H](Nc3ncnc4sccc34)C2)nc1 40555565 UINAXNDCGARVSN-NSHDSACASA-N 312.402 2.562 0 40 DFAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(NC(N)=O)cc1 45834679 NBBMVBDTLVGIQB-SECBINFHSA-N 319.311 2.946 0 40 DFAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NC(C)C)nn12 1001187 YKMNFDJCELYCGK-UHFFFAOYSA-N 312.348 2.982 0 40 DFAB O=C(Oc1ccc(N2CCCC2=O)cc1)[C@@H]1Cc2ccccc2O1 29767975 QWWPTLNWXQBACS-KRWDZBQOSA-N 323.348 2.723 0 40 DFAB O=C1C[C@@H](Cc2ccc(NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)C(=O)N1 101734596 UYJCAIDPDRMTSA-CAOSSQGBSA-N 310.397 2.516 0 40 DFAB Cn1c(-c2ccc3c(c2)OCO3)c(C(=O)O)c(=O)c2ccccc21 346075 IEQACXQPVDWRDR-UHFFFAOYSA-N 323.304 2.632 0 40 DFAB O=S(=O)(c1ccc(N2N=N2)cc1)c1ccc(N2N=N2)cc1 3131108 KAYYTJLBPMVIOU-UHFFFAOYSA-N 300.303 2.724 0 40 DFAB Cc1ccc(-n2nnnc2SCc2c(C)noc2C)cc1 6639631 WIAZFRKJWVCFNM-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 6656062 NLGSPARIEVVEQR-YRNVUSSQSA-N 308.315 2.747 0 40 DFAB Cc1c(C(=O)COC(=O)c2cnn(C)c2C)oc2ccccc12 21603724 VRHFLMUODAXSID-UHFFFAOYSA-N 312.325 2.823 0 40 DFAB Cc1nnc(O)nc1SCC(=O)Nc1cccc(Cl)c1C 11990592 DAGDOQCMYOLYHL-UHFFFAOYSA-N 324.793 2.578 0 40 DFAB CCc1ccccc1NC(=O)CNC1(C(=O)OC)CCCCC1 69707664 RLXZLXCQAIZVSP-UHFFFAOYSA-N 318.417 2.653 0 40 DFAB Cc1cc(NC(=O)c2occc2C)ccc1N1CCN(C)CC1 21865645 SASARHBAGLIIJC-UHFFFAOYSA-N 313.401 2.901 0 40 DFAB COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1 8699251 UMSPNQKPXWOGLL-KBPBESRZSA-N 321.373 2.730 0 40 DFAB CN(CC(=O)N1CCC[C@@H]1C1CCC1)C(=O)c1cccs1 102877779 BZYQOZSVWWQIEL-CYBMUJFWSA-N 306.431 2.611 0 40 DFAB COc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1OC 55175237 WRTRQDDZVGBZFQ-UHFFFAOYSA-N 316.357 2.960 0 40 DFAB CC(=O)Nc1ccc2c(c1)CN(c1ccc(C(=O)O)cc1)CO2 543782 PKAHHJDTVKIKRJ-UHFFFAOYSA-N 312.325 2.700 0 40 DFAB O=C(OCc1nnsc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 22652524 KIIFDBNXIVFITO-JVHMLUBASA-N 314.794 2.630 0 40 DFAB CNCC1CCN(C(=O)c2sccc2Br)CC1 104296590 PKCVXPRQQZDUEI-UHFFFAOYSA-N 317.252 2.582 0 40 DFAB Cc1cc(C(=O)OCc2cccc(C(N)=O)c2)c(C)n1C1CC1 47467288 HBGAPWRFHBIPHF-UHFFFAOYSA-N 312.369 2.896 0 40 DFAB O=C(NC1CCCCC1)N1CCN(Cc2cccc(O)c2)CC1 59916453 YSDXQDGDXKIOGR-UHFFFAOYSA-N 317.433 2.552 0 40 DFAB Brc1cncc(-c2n[nH]c3c2[C@H]2CC[C@H](C3)N2)c1 110751336 TZBAZCPFBXKZNL-NXEZZACHSA-N 305.179 2.583 0 40 DFAB NC(=O)c1ccc(COC(=O)Cc2c(F)cccc2Cl)cc1 16747713 ZASNJWTVPMBKAW-UHFFFAOYSA-N 321.735 2.864 0 40 DFAB CCS[C@@H]1CC[C@@]1(O)CN[C@H](C)c1nc2ccccc2n1C 108373366 PASFVTSDMHYQOQ-SRCQZFHVSA-N 319.474 2.871 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 76022961 TVNAKOGVKUNFTP-HZPDHXFCSA-N 318.417 2.520 0 40 DFAB COc1ccc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)c(OC)c1 62001617 GBTHJECCVJUPQA-HKUYNNGSSA-N 324.380 2.628 0 40 DFAB biogenic O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCOCC1 44846301 KQMFVXYKBAEFJG-UHFFFAOYSA-N 322.408 2.722 0 40 DFAB Cc1nc(N2C[C@H](C(=O)O)CC2=O)sc1-c1ccccc1 44979100 BJVVXNUQMGMASL-LLVKDONJSA-N 302.355 2.556 0 40 DFAB C[C@@H](Oc1ccc(C(=O)Nc2nc[nH]n2)cn1)c1ccccc1 44977196 CPOHMDCMSIKJKQ-LLVKDONJSA-N 309.329 2.592 0 40 DFAB Cc1cc(CN(C)C(=O)[C@@H]2COc3ccc(Cl)cc3C2)no1 44916687 WCWHJVQOLPTMBP-LBPRGKRZSA-N 320.776 2.846 0 40 DFAB Cn1ncc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1C1CC1 58304874 BVRFXPXKBQMDCO-INIZCTEOSA-N 311.385 2.511 0 40 DFAB CCS(=O)(=O)c1ccc(NC[C@@H](N)c2ccccc2)cc1 62838560 LGLISQPUNRISFE-MRXNPFEDSA-N 304.415 2.592 0 40 DFAB CN(CCc1ccncc1)C(=O)Cc1cn(C)c2ccccc12 49752046 NBAXFADHPCXTQR-UHFFFAOYSA-N 307.397 2.817 0 40 DFAB O=C(CSc1ncc2ccccn12)NCc1cccs1 14093941 GEZFGYOYGWJYGN-UHFFFAOYSA-N 303.412 2.804 0 40 DFAB Cc1cc(C)c(CN[C@@H]2CCCc3c2cnn3CCO)c(C)c1 65538715 SLIFACYEZFQXDK-GOSISDBHSA-N 313.445 2.968 0 40 DFAB CC(C)(Cc1ccccc1Cl)Nc1ccc2nnnn2n1 65610741 QLTKYFQMNJOGOZ-UHFFFAOYSA-N 302.769 2.606 0 40 DFAB C[C@@H]([C@@H](C)NCc1nccn1Cc1ccccc1)n1cccn1 69655989 IKGJPJCTAKBWJO-CVEARBPZSA-N 309.417 2.867 0 40 DFAB O=C(CONC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 6654390 XQBXWXPCSMNOGC-UHFFFAOYSA-N 322.723 2.779 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 4974141 ASGOSUHDCGODBA-UKRRQHHQSA-N 306.406 2.852 0 40 DFAB CCCNC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21 6995233 NMPXRQIIDMIQTG-UHFFFAOYSA-N 324.380 2.567 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccnn1C1CCCC1 71288564 YEIVDBSKEZNMSV-UHFFFAOYSA-N 313.357 2.878 0 40 DFAB COC(=O)[C@@H](NCc1nc(C)no1)c1ccc2ccccc2c1 97084109 GANYKWRWNXQYFF-INIZCTEOSA-N 311.341 2.535 0 40 DFAB Cc1ccc(SCCN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 97014471 NDGRITSVRZFZGP-HOTGVXAUSA-N 304.459 2.830 0 40 DFAB CC1CCC(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 83692928 VVGGLUFIGWAYAP-VMBOVVBDSA-N 324.465 2.935 0 40 DFAB CC[C@H](NC(=O)NCCc1ccc(NC(C)=O)cc1)C(C)C 71803172 HWVVKUZYDYYJKB-INIZCTEOSA-N 305.422 2.921 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(N(C)C)CC1 71828427 HYBJQMLTKYQNFQ-UHFFFAOYSA-N 315.392 2.849 0 40 DFAB C[C@H](c1ccccc1Br)N1CCC(C(N)=O)CC1 71824640 OURKZKVLGVAUIK-SNVBAGLBSA-N 311.223 2.707 0 40 DFAB CCCNC(=O)[C@@H](C)Sc1nc(NC)c2ccccc2n1 26593537 QDTUJIJVNANPKQ-SNVBAGLBSA-N 304.419 2.678 0 40 DFAB CCOC(=O)CN(C(=O)/C=C/c1cscn1)C1CCCCC1 71914355 KLFBZHHOJIUVIL-CMDGGOBGSA-N 322.430 2.881 0 40 DFAB O=C(Nc1ccsc1)c1cc(N2CCNC2=O)ccc1F 72291700 PQRXGFGBSWXJPU-UHFFFAOYSA-N 305.334 2.669 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)CNc2cccc(F)c2)C1 72289299 GFRLDBDYIDUFPJ-RBSFLKMASA-N 321.440 2.720 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2nc(C)cs2)cc1 97113241 HYBKONJSAMXPGI-CYBMUJFWSA-N 324.471 2.712 0 40 DFAB C[C@H](NC(=O)NCC(C)(C)O)c1ccc(-c2ccncc2)cc1 72516949 QAHASOJKDRAVOK-ZDUSSCGKSA-N 313.401 2.880 0 40 DFAB CCN(C)c1cccc(NC(=O)Cn2nnc3ccccc32)c1 84760924 VSNBUAFIMPPLKW-UHFFFAOYSA-N 309.373 2.526 0 40 DFAB O=C(NCCCNc1cncc(Br)c1)C1CCC1 95407474 PRXBEGYSFUVGFE-UHFFFAOYSA-N 312.211 2.562 0 40 DFAB CC(=O)Nc1nc(C(=O)NC[C@H](C)c2ccc(C)cc2)cs1 95960635 ZADQQOZFGVOGPY-NSHDSACASA-N 317.414 2.943 0 40 DFAB Cc1ccc(C(=O)Nc2ccccc2CN2CCNC2=O)s1 95993548 KGYJLLAPSSJNIK-UHFFFAOYSA-N 315.398 2.834 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc(CC)c(C)s2)CC1 24470390 HATCPMAYVJXKGX-UHFFFAOYSA-N 324.446 2.970 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)s1 75415749 JQDGCQRPWVUGJV-WCBMZHEXSA-N 308.325 2.976 0 40 DFAB Cc1ccc(C(=O)N[C@H](O)C(=O)c2ccc(Cl)cc2)cc1 26770571 YLJWEBHCGBGROV-MRXNPFEDSA-N 303.745 2.580 0 40 DFAB C[C@@H]1CC(=O)N(Cc2nc(-c3c(F)cccc3F)cs2)C1=O 128122451 SBZYVJFABHFBKZ-MRVPVSSYSA-N 322.336 2.983 0 40 DFAB CC[C@H](NC(=O)c1ccnc(-n2cnnc2)c1)c1ccccc1 32647011 JNVDBGDLEFPGJW-HNNXBMFYSA-N 307.357 2.543 0 40 DFAB C[C@H](C(=O)NC1CCCC1)N1C(=O)CCCc2ccccc21 33249772 URBSXANVEKXBGH-CYBMUJFWSA-N 300.402 2.803 0 40 DFAB C[C@@H](C1CC1)n1cc(NC(=O)c2ccnc(-n3cccn3)c2)cn1 548618974 BRFXZSNYDXVNKX-LBPRGKRZSA-N 322.372 2.687 0 40 DFAB COCc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)no1 79619384 LANQZGHJSPGKOB-AWEZNQCLSA-N 318.348 2.807 0 40 DFAB COCCn1ccc2c(C(=O)NCc3ccccn3)cccc21 79495610 JYLBVZKRMMQUCN-UHFFFAOYSA-N 309.369 2.613 0 40 DFAB Cc1nc2cc(NS(=O)(=O)c3cccs3)ccc2n1C 74985729 CGROYFWWTMINAQ-UHFFFAOYSA-N 307.400 2.744 0 40 DFAB COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)c1 72227746 RJJQTIYRTLKHIC-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 78441192 CGTFKMGKMVDWMH-GXSJLCMTSA-N 318.343 2.773 0 40 DFAB CCn1nc(C)c(CCC(=O)NCc2cccc(F)c2)c1C 71195399 PXNPETXDFVMWSA-UHFFFAOYSA-N 303.381 2.908 0 40 DFAB Cc1nn(CC(=O)Nc2ccnn2[C@H](C)C2CC2)c(C)c1Cl 79793806 WACOOGARKLIRBT-SNVBAGLBSA-N 321.812 2.960 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccs2)n1 72239721 ZDNPDAXWQXMNDM-CYBMUJFWSA-N 315.398 2.581 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](c2ccccc2)C1 1569418209 OWOHFYOZAIBPSG-MRXNPFEDSA-N 320.396 2.838 0 40 DFAB CN(CCOc1ccc(Cl)cc1)c1ncnc2[nH]cnc12 47509237 VZDSNJOTBKMULB-UHFFFAOYSA-N 303.753 2.522 0 40 DFAB CNC(=O)c1cccc(NC(=O)NCc2ccccc2F)c1C 44177641 JMQHYVFJYNTTHB-UHFFFAOYSA-N 315.348 2.815 0 40 DFAB CC1(C)CN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)C1(C)C 195561151 SHTHPVRAKUZBQA-CYBMUJFWSA-N 304.390 2.510 0 40 DFAB Cc1cc(C(=O)Nc2n[nH]c3ccc(C(F)(F)F)cc23)n(C)n1 195579264 GUXPIUPNZFICPU-UHFFFAOYSA-N 323.278 2.876 0 40 DFAB CCO[C@@H]1COC2(CCN(Cc3ccc(OC)cc3)CC2)C1 96158728 GQZQWFKTJNXQRQ-KRWDZBQOSA-N 305.418 2.855 0 40 DFAB O=C(Cn1cc(C2CC2)nn1)N(C1CC1)[C@@H]1CCc2ccccc21 96471891 AJGSGSFZFCSTAO-GOSISDBHSA-N 322.412 2.834 0 40 DFAB CCNc1ccnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 91364438 YUVBAFMVJNFWMN-GFCCVEGCSA-N 322.409 2.544 0 40 DFAB Cc1occc1CNC(=O)N[C@H]1CCO[C@H]1c1ccccc1 96446971 VTCXURFMMWYWFO-HOTGVXAUSA-N 300.358 2.917 0 40 DFAB c1cncc(OC[C@]23COC[C@H]2CN(Cc2cccs2)C3)c1 96108817 CASNXUMVYOXGMP-PBHICJAKSA-N 316.426 2.671 0 40 DFAB CCn1[nH]c(C)nc1=NC(=O)c1cc2c(s1)CCCCC2 334001397 RWMNSEKJPUREMI-UHFFFAOYSA-N 304.419 2.611 0 40 DFAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1cnn(C(C)C)c1 534907016 XMIOJIVJVTUVQU-LBPRGKRZSA-N 317.389 2.972 0 40 DFAB CSc1ccccc1NC(=O)CN(C)c1cc(C)ncn1 96485205 JNODYZDKWGCOGN-UHFFFAOYSA-N 302.403 2.582 0 40 DFAB COC[C@H]1CN(C)C[C@@]12CCN(Cc1ccccc1Cl)C2 96217937 OOQICNUWUJLMAO-NVXWUHKLSA-N 308.853 2.740 0 40 DFAB CN(Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCOC1 96490076 OKJDYMQBFHSGRP-CYBMUJFWSA-N 305.809 2.994 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2cc(C)on2)s1 96424513 POLGLRPABRMYKH-NSHDSACASA-N 322.434 2.942 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)CCc2cscn2)C12CCCC2 96432532 KLSSTIXKVYUHMR-UONOGXRCSA-N 308.447 2.930 0 40 DFAB CC1=N[C@@]2(CC[C@@H]3CN(CC(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261548 OJBCZXXYILSMKV-SOLBZPMBSA-N 305.466 2.640 0 40 DFAB Cc1c[nH]c([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257302669 SDUMYMCIQFLHJS-INIZCTEOSA-N 323.400 2.682 0 40 DFAB Cc1nc([C@@H]2CCCN2Cc2ncccc2F)cc(N(C)C)n1 257226467 FKSNCNUJJUZNJC-INIZCTEOSA-N 315.396 2.722 0 40 DFAB Cc1cc(N2CC3(CCCCC3)OC2=O)nc([C@@H]2CCCN2)n1 257295012 QWPHVVXOFSMQNY-ZDUSSCGKSA-N 316.405 2.869 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 253595850 JVEWXTLFKFWQPU-KXUWMWNGSA-N 306.446 2.930 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCN(c2ccccn2)C1 153078762 FQLGUPGOOROXNT-OAHLLOKOSA-N 320.396 2.501 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1ccc(-c2csnn2)cc1 57358358 KGTAYKNLHKXRBL-LLVKDONJSA-N 321.402 2.585 0 40 DFAB CCOC(=O)c1nc(CN2CCC[C@@H]2c2ccc[nH]2)cs1 65520864 WJYSBYVVROMYEV-CYBMUJFWSA-N 305.403 2.985 0 40 DFAB CCc1nnc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)nc1CC 1548451628 GYACRUWVMHXZFG-CQSZACIVSA-N 300.410 2.678 0 40 DFAB NC(=O)C[C@H]1CCCCN1C(=O)CCSc1ccccc1F 69669035 KIESMQAYWCYTGG-GFCCVEGCSA-N 324.421 2.564 0 40 DFAB CCOC(=O)C1CCN([C@H](C(=O)OCC)c2ccccc2)CC1 67472266 HUQZJTQRNBULSU-INIZCTEOSA-N 319.401 2.566 0 40 DFAB CC(C)c1nccn1CCC(=O)NCCc1ccc(F)cc1 72284059 RVUHGAAPLUNRIM-UHFFFAOYSA-N 303.381 2.895 0 40 DFAB FC(F)(F)CCn1nc(Br)nc1Br 75093487 DCPVBJPIRBRQAA-UHFFFAOYSA-N 322.910 2.756 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NC[C@H](O)C(C)(C)C)CC1 195558515 RSKJRDJPMNCGCV-KBPBESRZSA-N 314.470 2.773 0 40 DFAB CCCn1nnnc1CNc1cc(F)cc(Br)c1 96453658 URNOUISMQGCJOL-UHFFFAOYSA-N 314.162 2.597 0 40 DFAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NC(C)C)cc1 3068945 XHNNGGNDDQRZCK-LFIBNONCSA-N 312.369 2.884 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 11337862 KPRGIDQSMGHGLL-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)c2cn(C)nc2C)cc1 12015673 QBRBMKVZQWSNJF-UHFFFAOYSA-N 315.373 2.938 0 40 DFAB Cc1nc(-c2ccccc2)c(CC(=O)N[C@H]2CCCOC2)s1 12194282 ZVOWRDBNNNSZGW-AWEZNQCLSA-N 316.426 2.956 0 40 DFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(N)=O 13994591 UQYJUBGVLATLPI-HNNXBMFYSA-N 312.369 2.890 0 40 DFAB O=C(c1cccs1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19341038 LAXIODXFSJKXMS-LLVKDONJSA-N 312.354 2.780 0 40 DFAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)NC3CC3)c(C)c2c1 4524854 QOSRPTSXINSULR-SNVBAGLBSA-N 317.341 2.574 0 40 DFAB Cc1cnccc1OCC1CCN(C(=O)[C@@H]2CCCCO2)CC1 1889108064 WUEPSPMXXFGERB-KRWDZBQOSA-N 318.417 2.577 0 40 DFAB Cc1cc(CN2CCC[C@@H](COc3cccc(C)n3)C2)on1 1848864974 CVUPXULRYSOAGZ-OAHLLOKOSA-N 301.390 2.977 0 40 DFAB CC(C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 2056226161 LZAXIFURYADCJQ-GBESFXJTSA-N 321.424 2.990 0 40 DFAB O=C(c1ccccn1)N1CC[C@@H](Oc2cccc3cccnc23)C1 253393990 AMMBVSIFIMRWRK-OAHLLOKOSA-N 319.364 2.923 0 40 DFAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)c3csc(C)n3)C1)CO2 2055793546 RNPIFGLDDIPTDU-QGZVFWFLSA-N 314.410 2.936 0 40 DFAB CSCC[C@H](O)CNC(=O)c1ccc(C(F)(F)F)cc1 1775967625 YLZVBCNGBZUNLV-NSHDSACASA-N 307.337 2.549 0 40 DFAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1 1006516120 RXGOYCNFMHDRIM-GFCCVEGCSA-N 310.800 2.970 0 40 DFAB O=C(N[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1)C1CC1 1006529663 OYPHRNSXXULABX-CYBMUJFWSA-N 305.447 2.511 0 40 DFAB c1ccc(CCNc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 2298086971 WMXDCNPKZWMHBA-HNNXBMFYSA-N 323.400 2.660 0 40 DFAB O=C1CCCCCN1CCCNc1ncnc2ccsc12 40018053 GXWTVFDITFCKSR-UHFFFAOYSA-N 304.419 2.896 0 40 DFAB Cc1ccc(Cl)c(OC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 40129185 ZFANCEWOEZYWIB-LBPRGKRZSA-N 324.808 2.947 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc2c(c1)OCO2 30992966 BTCHUOMKEALAHY-GFCCVEGCSA-N 313.357 2.503 0 40 DFAB CC(=O)Nc1cc(Br)c(O)c(Br)c1 84006 APHFPJMCRQLKSY-UHFFFAOYSA-N 308.957 2.876 0 40 DFAB Cc1oc(-c2ccsc2)nc1CN1C(=O)N[C@@H](C(C)C)C1=O 69743868 YUDKKJWMTHSDTO-LBPRGKRZSA-N 319.386 2.788 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)Cc2noc(CC(C)C)n2)c1 46163788 MTNFHJFPOLUQNG-UHFFFAOYSA-N 322.430 3.000 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3cc(Cl)ccn3)ccc21 21039684 HCHCWJQIBHQQGS-UHFFFAOYSA-N 315.760 2.896 0 40 DFAB Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2C(C)(C)C)c(C)c1C 1652836 MOYFACQLAPYOMZ-UHFFFAOYSA-N 317.433 2.635 0 40 DFAB CC(C)CC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)F)C1 329577 LVULEVTURKCEMW-CYBMUJFWSA-N 315.295 2.581 0 40 DFAB C[C@H]1c2ccc(C(=O)O)n2CCN1C(=O)OCc1ccccc1 32626945 KUXWKAZUFJUJPK-LBPRGKRZSA-N 314.341 2.900 0 40 DFAB O=C(NCCc1ccccn1)c1c[nH]nc1-c1ccc(F)cc1 21439607 ZLFGYYBTWCFVIQ-UHFFFAOYSA-N 310.332 2.583 0 40 DFAB Cc1ccc2ncc(NC(=O)c3ccc(Cl)cc3)c(=O)n2c1 4936925 BJNBPZBLPGYMIB-UHFFFAOYSA-N 313.744 2.909 0 40 DFAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1 6034275 NFRZXZUHKSETFH-UHFFFAOYSA-N 319.401 2.674 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162221 YDILGTYZWSGPAG-LLVKDONJSA-N 318.398 2.882 0 40 DFAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1 2636562 WFXAEORENVSJMQ-VIFPVBQESA-N 320.732 2.625 0 40 DFAB O=S(=O)(NCC1(c2ccccc2)CC1)c1ccccc1F 11901484 OTPPPWXIORPIDU-UHFFFAOYSA-N 305.374 2.836 0 40 DFAB O=C(COc1ccccc1Cl)NCCOc1ccccc1 8518128 IKMGNUBUVJMRHD-UHFFFAOYSA-N 305.761 2.914 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 8686568 RDSKNGRXGFLMMM-ZKYQVNSYSA-N 304.415 2.948 0 40 DFAB Cn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)CCC3 496119 HHQWCDJWJZAHBA-UHFFFAOYSA-N 304.415 2.756 0 40 DFAB NS(=O)(=O)c1ccc(Sc2ccc(F)c(Cl)c2)nc1 8746140 UQEOUMMBMUENHO-UHFFFAOYSA-N 318.782 2.673 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NC(C)C)C1 32913018 VHYPMIGYVLSPJE-CABCVRRESA-N 311.470 2.757 0 40 DFAB CCSCCC(=O)Nc1n[nH]c(-c2ccccc2OC)n1 52779214 BQHYVXZKLVTPSB-UHFFFAOYSA-N 306.391 2.562 0 40 DFAB CCn1nc(C)cc1C(=O)NCc1cccc(N2CC=CC2)c1 102738461 AYLWELKYIPYXMD-UHFFFAOYSA-N 310.401 2.518 0 40 DFAB Cc1cc(=N)n(CC(=O)c2ccc(Br)cc2)c(C)n1 103157050 RXBABLYWKNXFRQ-UHFFFAOYSA-N 320.190 2.625 0 40 DFAB O=C1OCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 55104119 DILNHJJJENDRCD-CYBMUJFWSA-N 307.777 2.584 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N(C)Cc2c(C)noc2C)C1(C)C 76091604 RUFNZWYXRFIPNM-CZUORRHYSA-N 309.410 2.636 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104653468 YCMHONPROIXYTL-PYJNHQTQSA-N 318.417 2.973 0 40 DFAB COc1ccc(OCC2CCNCC2)c(Br)c1 42774359 CCBACCIQSPOMBB-UHFFFAOYSA-N 300.196 2.836 0 40 DFAB Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 24593809 GNDMXKNSDPAGMK-UHFFFAOYSA-N 324.789 2.699 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)cn1 43145036 BUFFEKHGKMRDLI-CQSZACIVSA-N 318.446 2.554 0 40 DFAB Cc1ccc(C(=O)NCc2nnc3n2-c2ccccc2CC3)cc1 12528331 NKTAWJHTXFQCOI-UHFFFAOYSA-N 318.380 2.604 0 40 DFAB CCC[C@@H]1CCc2ccccc2N1CC(=O)NC[C@H]1CCOC1 107157097 JCSNPAYTXHITCN-NVXWUHKLSA-N 316.445 2.761 0 40 DFAB O=C(NCc1nc(Cc2ccccc2)no1)[C@H]1C[C@H]2CC[C@H]1C2 107317809 CYUSEIYETUMWAP-KKUMJFAQSA-N 311.385 2.713 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)N2NN=NC2=N1 35148028 PYSITMSZYUZQNJ-AWEZNQCLSA-N 313.361 2.758 0 40 DFAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 107501694 AKIIRLZYVMWKHB-GVDBMIGSSA-N 318.461 2.720 0 40 DFAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC1CCCCCC1 3260196 MOHQZVFHFOOXRQ-UHFFFAOYSA-N 324.808 2.918 0 40 DFAB CN(CCNC(=O)c1cc(O)nc2ccccc12)c1ccccc1 12611836 DFZUWSNLFWWUMG-UHFFFAOYSA-N 321.380 2.807 0 40 DFAB O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1Cc1ccccc1 44425204 RTPFCYRZGUAMQJ-HNNXBMFYSA-N 320.352 2.648 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)N1CCC(OCC2CC2)CC1 78950614 AJIPRZVLYUJXJR-AWEZNQCLSA-N 308.466 2.715 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)CCc2ccco2)cc1 48149693 HHJBICSSAIVUGR-UHFFFAOYSA-N 301.342 2.657 0 40 DFAB CCCCS[C@@H](C)C(=O)NCc1cccc(NC(N)=O)c1 58247074 VANVYUSHNLLWSV-NSHDSACASA-N 309.435 2.715 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 58294229 QCTMRMUXTSQZGB-UHFFFAOYSA-N 306.381 2.593 0 40 DFAB CC(C)(C)c1nnc(CN2CCN(Cc3cccs3)CC2)o1 44914538 BGRNLGLJJVCUGE-UHFFFAOYSA-N 320.462 2.746 0 40 DFAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 27914523 KJQVNMBDOSPILV-ZWNOBZJWSA-N 301.308 2.932 0 40 DFAB O=C(NCCc1cccc2ccccc12)NC1CCC(O)CC1 36392381 PSQBLSMNPZAZJC-UHFFFAOYSA-N 312.413 2.985 0 40 DFAB CN1N=C(C(=O)Oc2ccc(-c3ccccc3)cc2)CCC1=O 48253883 VYCHRNSDQUQLPI-UHFFFAOYSA-N 308.337 2.867 0 40 DFAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnccn1 48301412 PFTQFBVEKUHNSR-UHFFFAOYSA-N 324.315 2.733 0 40 DFAB COc1ncccc1NC(=O)NCCOc1ccc(Cl)cc1 48303323 DPIOWOVPEBPHKI-UHFFFAOYSA-N 321.764 2.944 0 40 DFAB COc1ccc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)[nH]c2c1 70040713 ZSDCFGYCFJNIIA-CQSZACIVSA-N 324.384 2.678 0 40 DFAB COc1ccc(CN(C)C(=O)COc2ccccc2O)cc1F 12904466 AMBPRIXZUWTXCG-UHFFFAOYSA-N 319.332 2.577 0 40 DFAB O=[S@](CCNc1ncnc2ccccc12)c1ccccc1F 69820056 GLGPUSIPYGPLGU-QFIPXVFZSA-N 315.373 2.989 0 40 DFAB Cc1ccc(-c2nc3ccc(N4CCOCC4)cc3c(=O)[nH]2)cc1 4002642 UWDOTQFIOYXRPZ-UHFFFAOYSA-N 321.380 2.735 0 40 DFAB CCN(CC)[C@H](C(=O)NCCc1ccccn1)c1ccccc1 69433939 XRCKUHVHYFGHGR-SFHVURJKSA-N 311.429 2.823 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)NCc2ccncc2)cc1 17168223 MEXYQGOQNNWFNL-UHFFFAOYSA-N 312.369 2.760 0 40 DFAB COC(=O)c1cc(C(C)C)ccc1NC(=O)[C@@H](C)n1ccnc1 69583593 LAOSKGUSFWVNRF-GFCCVEGCSA-N 315.373 2.993 0 40 DFAB CCCc1noc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 65413998 QNEQWTSVRNAYBD-SNVBAGLBSA-N 319.327 2.756 0 40 DFAB CCc1nc(C(=O)N(C)C)nn1-c1c(Cl)cccc1Cl 65564736 YWFJZVJICLSVDU-UHFFFAOYSA-N 313.188 2.838 0 40 DFAB COCCSc1nnc(NC(=O)c2ccc(F)cc2)s1 4510418 TZSXXCBVKXGOKY-UHFFFAOYSA-N 313.379 2.668 0 40 DFAB O=C(CCC(=O)OCCc1ccccc1)Nc1nccs1 4511273 YJXWYQBZWCGDKK-UHFFFAOYSA-N 304.371 2.648 0 40 DFAB COC(=O)[C@H](C)Oc1c(-c2ccco2)oc2ccccc2c1=O 5482891 NPCYRTOFTCCECL-JTQLQIEISA-N 314.293 2.993 0 40 DFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(C)on1 6850041 JRDTYLYJGQBZTN-UHFFFAOYSA-N 316.317 2.678 0 40 DFAB O=C(Nc1cccnc1)c1cc(=O)c(OCc2ccccc2)c[nH]1 61719997 OHEVOUASUWBTDW-UHFFFAOYSA-N 321.336 2.601 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCN[C@H](C(N)=O)c1ccc(F)cc1 66939550 LCFZJYVQZUYMRY-WQVCFCJDSA-N 308.397 2.537 0 40 DFAB Cc1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 8747289 PJMUEADTRFTDCB-ZDUSSCGKSA-N 316.426 2.594 0 40 DFAB CC(C)(CNc1ncnc2nc(N)ccc12)CC1CCOCC1 90112538 TWSKTXOIGYNIGD-UHFFFAOYSA-N 315.421 2.862 0 40 DFAB COC(=O)c1cc(NC(=O)[C@H]2CC=CCC2)cc(C(=O)OC)c1 8944185 RNEFNRILJJWUFI-NSHDSACASA-N 317.341 2.555 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2cccc3ccnn23)C2CC2)c1 72174310 PIDRVZFEMFCRGW-KRWDZBQOSA-N 306.369 2.919 0 40 DFAB COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 21915490 WBFTVWZUOBLDNN-OAHLLOKOSA-N 310.353 2.748 0 40 DFAB CCc1ccc2oc(C(=O)NCCCC(=O)OC)c(C)c2c1 62714985 MSQNVWBJXRDWEU-UHFFFAOYSA-N 303.358 2.987 0 40 DFAB Cc1cnc(NC(=O)c2cncc(F)c2)c(Br)c1 97021288 WQPGBIDDTWRAQS-UHFFFAOYSA-N 310.126 2.939 0 40 DFAB CNC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 9460128 YIISQGVNRDJPJH-UHFFFAOYSA-N 307.353 2.709 0 40 DFAB C[C@@H]1COCCN1C(=O)/C=C/c1csc(Br)c1 96407151 BUMNCCJBLNSTNP-GKQMSVHHSA-N 316.220 2.771 0 40 DFAB Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@H]3CCCO3)cc2F)c1 96431517 OKRAMOSCGUZARW-MLGOLLRUSA-N 317.364 2.676 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(OCC(F)F)ccn2)C[C@@H](C)S1 96496583 BLJOKQPFDYDORU-NXEZZACHSA-N 316.373 2.692 0 40 DFAB CC[C@@](C)(NC(=O)c1cccc2c1OCCO2)c1nccs1 96416607 OWDSCDITKCRRJZ-MRXNPFEDSA-N 318.398 2.970 0 40 DFAB Cc1nc(COc2ccc(C(=O)N[C@H](C)C(C)C)cc2)no1 9575876 LLSKKSXYPVLBOT-LLVKDONJSA-N 303.362 2.731 0 40 DFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H]1Cn1cccn1 71872042 JLLKFFLEHPJYLF-HNNXBMFYSA-N 321.384 2.578 0 40 DFAB CC(C)S(=O)(=O)N(C)C(=O)c1cccc(C(F)(F)F)c1 83779402 AGXZUHOAHQDYKX-UHFFFAOYSA-N 309.309 2.516 0 40 DFAB O=C(NCc1noc(-c2ccc(F)cc2)n1)Nc1ccccn1 72275168 DHEGLYFOWWNIOB-UHFFFAOYSA-N 313.292 2.592 0 40 DFAB Cc1ccc(-c2ncco2)cc1NC(=O)N(CCO)C(C)C 97113500 MTAOSJJVFLJFSV-UHFFFAOYSA-N 303.362 2.885 0 40 DFAB O=C(NC1CCC(O)CC1)c1cccnc1SC(F)(F)F 84358167 LJOLFPAZJSONHY-UHFFFAOYSA-N 320.336 2.727 0 40 DFAB Cc1ccc(-c2cnc(CNC(=O)[C@@H](O)c3ccccc3)o2)cc1 74172799 QPLNDVMUGWWRLX-SFHVURJKSA-N 322.364 3.000 0 40 DFAB C[C@@]1(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)CCOC1 95975318 XDUZPUXMTSJKBN-CQSZACIVSA-N 310.304 2.732 0 40 DFAB Cc1nc([C@@H]2CN(Cc3nc(C(C)(C)C)cs3)CCO2)no1 95964868 WSWGCLZCMFWVAX-NSHDSACASA-N 322.434 2.706 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@H](O)c2c(F)cccc2F)no1 89718210 KSFZURFKHLPAQB-OLZOCXBDSA-N 309.316 2.527 0 40 DFAB O=C(Cc1cccnc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 89762953 ZIDKLIFODRFJPA-INIZCTEOSA-N 316.788 2.957 0 40 DFAB c1ccc(-n2ncc(Cn3ccnc3-c3ccccn3)n2)cc1 89857658 TZTNTBCWBOYGEC-UHFFFAOYSA-N 302.341 2.574 0 40 DFAB Cc1ccc(CN2C[C@@H]3[C@@H](C2)c2ccccc2S3(=O)=O)s1 306131557 KIPXNUSOCUTRTN-GOEBONIOSA-N 319.451 2.812 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@H](c2cccs2)N(C)C)s1 38628950 PCYKAGYNFCITMV-LLVKDONJSA-N 309.460 2.854 0 40 DFAB CC(=O)NCc1ccc(C(=O)Oc2cc(F)ccc2F)cc1 78446361 KFVUCLAHAMXIHB-UHFFFAOYSA-N 305.280 2.820 0 40 DFAB CCc1cc(NC(=O)N2CCn3nc(C(C)(C)C)cc3C2)no1 1553071075 FIJYLJLLXOPPFK-UHFFFAOYSA-N 317.393 2.779 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c1 34916247 CKUABCROERICFJ-AWEZNQCLSA-N 300.402 2.797 0 40 DFAB CCn1cc(CNc2nnc(Cc3ccccc3F)o2)cn1 181832822 NPCNSLWRKFRQCN-UHFFFAOYSA-N 301.325 2.628 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(F)ccc2n1C 79481053 FNRWWVCLQMGSHS-ZDUSSCGKSA-N 320.364 2.635 0 40 DFAB Cc1cc(NC(=O)Cc2c(C)nn(C(C)C)c2C)cnc1O 560337083 OAXHGFMLVSQNPR-UHFFFAOYSA-N 302.378 2.671 0 40 DFAB Cc1cccc(Oc2cncc([C@H]3CCCN(CCO)C3)n2)c1 72361636 PHSZFTJAXCXPTK-HNNXBMFYSA-N 313.401 2.749 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1 72242029 KZDDXKUORHDWJC-RDJZCZTQSA-N 318.417 2.521 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncc3ccccn23)C1 49783024 VXLRWDUJLBUXRO-BETUJISGSA-N 303.431 2.931 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCCC2)cc1 44900060 MHEIDFLZFYGVBO-AWEZNQCLSA-N 322.474 2.778 0 40 DFAB O=C1C[C@@H](C(=O)O)[C@@H](c2cccc(OCc3ccccc3)c2)O1 85394676 MZLOVRJLAVWQGL-NVXWUHKLSA-N 312.321 2.954 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCc2nc[nH]c2C1 197790440 RNXYGWFITTWILC-LBPRGKRZSA-N 303.793 2.527 0 40 DFAB CCN(CC)C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188276 ZOYYCJOQAFEBGU-INIZCTEOSA-N 318.490 2.918 0 40 DFAB COC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)o1 96478916 RJPVFRMQVYKIEF-VXGBXAGGSA-N 306.328 2.502 0 40 DFAB CCOc1nnc(CN2CCOC[C@H]2c2ccc(CC)o2)s1 96413022 JRUWEBGGIZVVIV-LBPRGKRZSA-N 323.418 2.666 0 40 DFAB Cc1ccoc1C(=O)NCCCN[C@H]1CC(C)(C)OC1(C)C 90061291 LPAKVKWZKOXGIL-ZDUSSCGKSA-N 308.422 2.644 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1Cc1ccccc1 96110159 GAMQQIHOXDSAGX-ZWKOTPCHSA-N 310.397 2.801 0 40 DFAB C[C@H]1OCC[C@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 96483987 FEYNKBZKVIZKDC-REWMRKHYSA-N 308.428 2.631 0 40 DFAB Cc1noc(C)c1CN1CCC[C@]2(CCN(C(=O)C3CC3)C2)C1 96216080 OSYMSEOXNUROFH-SFHVURJKSA-N 317.433 2.516 0 40 DFAB c1cncc(OC[C@H]2CC3(CCN(CC4CC4)CC3)CO2)c1 96106113 PJUXQYSOHSGYCD-QGZVFWFLSA-N 302.418 2.742 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)Nc1cccc(F)c1F 96434346 YRYSBUONNBPBFZ-FQEVSTJZSA-N 304.362 2.634 0 40 DFAB CCOc1cc(CCCNC(=O)c2cccnc2)ccc1OC 96412224 KLKMOYVPTQWQIX-UHFFFAOYSA-N 314.385 2.852 0 40 DFAB Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)c1 248025438 NYBYQCRJEKWAKB-HYVNUMGLSA-N 321.442 2.573 0 40 DFAB CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2C(C)=O)n1 257318301 VNGZFYNWZMBBDH-MRXNPFEDSA-N 313.405 2.742 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)COc2ccccc2)C1 257319125 VQWSQCGPDRREDQ-HNNXBMFYSA-N 313.401 2.578 0 40 DFAB C[C@@H]1CN(S(=O)(=O)C2CCOCC2)CC[C@H]1c1ccccc1 252477322 LYOXEJFONZKWDK-RHSMWYFYSA-N 323.458 2.621 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](n2cnc3cnc(Cl)nc32)C1 725325897 HWQWUGRXBYJQHH-VIFPVBQESA-N 323.784 2.662 0 40 DFAB CC(C)C[C@H](C(=O)O)N1CCC([C@@H](O)c2ccccc2)CC1 846233955 DOTHJUHDPHHBHF-SJORKVTESA-N 305.418 2.931 0 40 DFAB COCCNc1nnc(Sc2nc3ccccc3o2)s1 48545665 JRJMUWXPUKNEMD-UHFFFAOYSA-N 308.388 2.889 0 40 DFAB O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1cccc(F)c1C(=O)O 899541372 VSYPJRCADXKRQJ-GXFFZTMASA-N 307.321 2.810 0 40 DFAB O=C1CC[C@@H](C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)N1 96004059 AUFHFTUWKZWQRI-LURJTMIESA-N 323.563 2.570 0 40 DFAB Nc1ccnc(CNc2cnc3cc(Cl)c(Cl)cc3n2)n1 97238423 NKGAIYULJXBROT-UHFFFAOYSA-N 321.171 2.921 0 40 DFAB Oc1c(Br)cc(Br)c2c1OCCO2 4280441 PEAOKNRZIICYDK-UHFFFAOYSA-N 309.941 2.688 0 40 DFAB Cc1ccc2nc(COC(=O)c3sccc3C)cc(=O)n2c1 5426387 YOQUFOUQNCAIAG-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1 5794394 IRQVNORIHCMHAS-LSDHHAIUSA-N 300.402 2.606 0 40 DFAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)Cn1cc(CO)c2ccccc21 11852013 GSICQWIHQDLBLI-ZOBUZTSGSA-N 316.445 2.757 0 40 DFAB CCc1nc2ccccc2n1CC(=O)NCc1ccccc1OC 12548188 LHFWMNGLABRCBB-UHFFFAOYSA-N 323.396 2.924 0 40 DFAB C[C@@H]1CN([C@H](CN)c2ccccc2Br)C[C@@H](C)O1 19422084 DGRKQZVTLWFUKF-JTNHKYCSSA-N 313.239 2.558 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCCCC3)ccc12 123498 CQVHUPDLLMJIQQ-UHFFFAOYSA-N 315.369 2.929 0 40 DFAB biogenic Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCO 3215699 SRZREUAPFRJJJK-UHFFFAOYSA-N 312.728 2.555 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CSc1nc2ccccc2o1 5457750 SJINJNDIWPJTCP-UHFFFAOYSA-N 316.386 2.909 0 40 DFAB Cc1ccc([C@H](NC(=O)CCCNC(=O)C2CC2)C2CC2)cc1 25125135 CTHJRJSXCJOQCN-SFHVURJKSA-N 314.429 2.869 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)c2ccc(F)cc2Cl)no1 30337866 XAOBNRPAVOQPQV-UHFFFAOYSA-N 318.757 2.596 0 40 DFAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc2c(c1)NC(=O)CO2 33119027 IIOQWXRZVNRAMR-NEPJUHHUSA-N 300.358 2.551 0 40 DFAB Cc1ccc(NC(=O)NCCNc2ccc(C)nn2)c(Cl)c1 35598012 JURBPJAMFFYMBL-UHFFFAOYSA-N 319.796 2.980 0 40 DFAB C[C@H](O)COc1ccc(Cc2ccc(OC[C@H](C)O)cc2)cc1 33986126 BUTHHJITGFIWHH-GJZGRUSLSA-N 316.397 2.797 0 40 DFAB CCCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 5686309 ROJLEOVHAQFDQC-UHFFFAOYSA-N 323.352 2.764 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 10454258 ZIZKGYPFMIBPQW-UHFFFAOYSA-N 324.380 2.757 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1Cl 40105789 ZVDDLAYFCKZTHZ-AWEZNQCLSA-N 312.841 2.610 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)CN2CCSC2=O)cc1 40473619 SVJKKRMJKUFBJM-AWEZNQCLSA-N 320.414 2.528 0 40 DFAB COc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 267016 LOPYAVONZYVFFO-UHFFFAOYSA-N 304.346 2.961 0 40 DFAB Cc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1 424320 XRXOBPLPIGEHTE-UHFFFAOYSA-N 307.357 2.719 0 40 DFAB Cc1oc(-c2ccsc2)nc1CN1C(=O)N[C@H](C(C)C)C1=O 69743871 YUDKKJWMTHSDTO-GFCCVEGCSA-N 319.386 2.788 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC[C@@H]1Cn1cccn1 69774095 SGJUETMUDSVAJW-QGZVFWFLSA-N 320.396 2.665 0 40 DFAB Cc1csc(N2CCN(c3nc4ccccc4o3)CC2)n1 29585796 YQNNFIAHBAFALW-UHFFFAOYSA-N 300.387 2.919 0 40 DFAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)nc1 1869738 UXUIEYOAAZBKQN-UHFFFAOYSA-N 311.675 2.975 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2ccc3oc(=O)sc3c2)cc1 4129555 WQRKELABKVPWEV-UHFFFAOYSA-N 322.363 2.931 0 40 DFAB C[C@@]12CC[C@H]3[C@@H](CC[C@H]4N(CCO)CC[C@]34C)[C@H]1CC[C@@H]2O 4026893 BSIXKFWZOQKKGU-WMJYKOSISA-N 307.478 2.657 0 40 DFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nccn1C 32859634 KHNZVBPJROKTMA-VIFPVBQESA-N 321.368 2.702 0 40 DFAB Cc1ccc(F)c(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 7428480 YJQKNKLPYNIZSN-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc[n+]2[O-])C2CC2)o1 52775420 AMLNWEGSBDMAAR-WFASDCNBSA-N 312.369 2.841 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCCSc2ccccc21 33157944 PYSHWAOLVQJPOU-QWHCGFSZSA-N 318.442 2.678 0 40 DFAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1cccnc1 507059 OBZNXPLKIPOXIS-UHFFFAOYSA-N 310.744 2.975 0 40 DFAB Cc1ccc(-c2cc(C(=O)N3CCO[C@H]4CCC[C@H]43)[nH]n2)cc1 53384558 SXUWQHMOIBPTJU-SJORKVTESA-N 311.385 2.779 0 40 DFAB Nn1c(S)nc2cc(-c3ccc(Cl)cc3)sc2c1=O 103672639 AQUDMLICEKWMDC-UHFFFAOYSA-N 309.803 2.781 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@](C)(CO)C1CC1 84068097 CCTFLXKOWDELJD-LJQANCHMSA-N 312.413 2.671 0 40 DFAB O=C(C1=CCCCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107775567 YNCHHHJGZAFFSW-YESZJQIVSA-N 305.418 2.672 0 40 DFAB NC(=O)C1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 22884270 UMDGAYQLVUCEQL-CMDGGOBGSA-N 308.381 2.577 0 40 DFAB CC(C)Oc1ncccc1CNc1ncc(C(N)=O)cc1Cl 54059986 JSPOFTNJLOWOPN-UHFFFAOYSA-N 320.780 2.628 0 40 DFAB O=C(NC1CCCC1)c1ccc(NC(=O)N2CCCC2)cc1 47757116 IQBOTICQTBXGPN-UHFFFAOYSA-N 301.390 2.987 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1(C)C 24489659 OELOMUQTFCIDSX-GDBMZVCRSA-N 300.402 2.891 0 40 DFAB COc1ccccc1CNC(=O)CCOc1ccc(F)cc1 24548036 BBWHCEPEVOSTDG-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB Cc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)c(C)s1 24888910 ASBMCFREZPCRJQ-UHFFFAOYSA-N 324.427 2.989 0 40 DFAB CCCn1c(SCCCO)nc2sc3c(c2c1=O)CCC3 25041718 GNNCWYXEDGZFLW-UHFFFAOYSA-N 324.471 2.831 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)nc1 27974331 GEMWAMZHEBWSDJ-LLVKDONJSA-N 300.314 2.525 0 40 DFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCCCC1)C2=O 12600063 HCUNGRDDGIPXRN-SUMWQHHRSA-N 307.438 2.567 0 40 DFAB COc1ccc(CN(C)C(=O)NCc2nc(C)cs2)cc1F 44895247 HUTOGSGFPAWREB-UHFFFAOYSA-N 323.393 2.941 0 40 DFAB COc1cc(/C=C/C(=O)Nc2c(C)noc2C)cc(OC)c1 58210465 LBWIDJOLINMQAF-AATRIKPKSA-N 302.330 2.961 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)C[C@@H](C)O1 58403199 HQYJJUNQGRQKBF-VBQJREDUSA-N 320.408 2.540 0 40 DFAB C[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1 12786476 QIUKJQRFIKDPAQ-CYBMUJFWSA-N 300.427 2.984 0 40 DFAB C[C@@H]1CN(c2nn3cc(-c4ccccc4)nc3s2)CCO1 12777249 BUXNYCKNZWAWNH-LLVKDONJSA-N 300.387 2.683 0 40 DFAB Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1F 11187514 FCEKUHXSEYYQCU-UHFFFAOYSA-N 305.378 2.553 0 40 DFAB O=C(Nc1nccn1CC1CC1)c1ccc2c(c1)OCCCO2 48365052 HTZMZYOCLJOFKP-UHFFFAOYSA-N 313.357 2.707 0 40 DFAB Cc1ccsc1C(=O)NC1CCN(C(=O)CC(C)C)CC1 48366426 ZJVPPCYOUDIZOB-UHFFFAOYSA-N 308.447 2.823 0 40 DFAB CS(=O)(=O)c1ccc(OCCOc2cccc(F)c2)cc1 48342729 BFAJGSJQACRWRI-UHFFFAOYSA-N 310.346 2.687 0 40 DFAB CCOC(=O)CCCNC(=O)CCc1nc2ccccc2s1 3442290 PHLYKJZPJWTRNZ-UHFFFAOYSA-N 320.414 2.688 0 40 DFAB CC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 62519487 BQZQUSAEVVLHBW-AWEZNQCLSA-N 310.353 2.720 0 40 DFAB CNC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 3562565 YCDWPKOQTNWPAM-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1C 22011031 URQFAVGDNQPJAB-FZMZJTMJSA-N 302.340 2.687 0 40 DFAB CCOCCO[C@H](C)C(=O)N(CC)Cc1c(F)cccc1F 69373035 STGHCYFLDHYXJZ-GFCCVEGCSA-N 315.360 2.755 0 40 DFAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1C[C@@H]1c1ccccc1 69388637 XDHXWYMCTUBUML-CABCVRRESA-N 321.336 2.772 0 40 DFAB CC(C)Cn1nc(C(=O)N[C@@H](C)C2CC2)c2ccccc2c1=O 8357099 KHKRVTDSHXCYGP-LBPRGKRZSA-N 313.401 2.581 0 40 DFAB O=C(CCCNc1ncccn1)NCC1(c2ccccc2)CC1 49624194 ZZMYZWVPVFSIBK-UHFFFAOYSA-N 310.401 2.517 0 40 DFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C)o1 6084861 WGXYVYZCKQOPPL-UHFFFAOYSA-N 316.357 2.697 0 40 DFAB CCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 8406015 RKPWHKATSQQHKO-UHFFFAOYSA-N 312.435 2.620 0 40 DFAB COc1cc(C(=O)Nc2ccccc2N)cc(OC)c1OC 5335056 YCXVPMDZEZZLDS-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cc(C)on1 17286060 KETROCFDCJHHPK-UHFFFAOYSA-N 323.780 2.716 0 40 DFAB CC[C@@H](C)NC(=O)CN1CCC(N(C)c2ccccc2)CC1 65957034 OIFYIOSOZIBCSN-OAHLLOKOSA-N 303.450 2.502 0 40 DFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC 15081725 KVVRXUTWSDDZOZ-UHFFFAOYSA-N 322.405 2.669 0 40 DFAB CCSc1nnc(NC(=O)c2ccc3[nH]cnc3c2)s1 8718769 HREIRABEUIVIBY-UHFFFAOYSA-N 305.388 2.779 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 7053424 ITBORVAEIPXTKX-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Nc1ccc2c(N3CCc4ccc(Cl)cc4C3)ncnc2n1 90142277 WSZGREWOMCCRED-UHFFFAOYSA-N 311.776 2.823 0 40 DFAB C[C@H](C[S@](C)=O)NC(=O)Nc1cnc(-c2ccccc2)s1 96010612 GSLLQRGQZSDJQI-LADRHHBVSA-N 323.443 2.699 0 40 DFAB CCC(=O)N1CC[C@H](C(=O)Nc2ncccc2-c2ccccc2)C1 97055155 KMKZEYXBCRFSOY-HNNXBMFYSA-N 323.396 2.946 0 40 DFAB O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccn1 97033054 LPGVPPFNHPZYEA-ZFWWWQNUSA-N 302.761 2.995 0 40 DFAB CNC[C@@H]1CCCN(Cc2cccc(OCCCOC)c2)C1 97095603 TZTWOBFAERGGMI-KRWDZBQOSA-N 306.450 2.533 0 40 DFAB Cc1nc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cs1 72283811 RUORMAJBAVRZIC-CYBMUJFWSA-N 303.387 2.672 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)sc2ccccc12 71829742 AJYLGLORGOFQNN-JQWIXIFHSA-N 316.426 2.936 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(c2ccc(F)cc2)CC1 71834950 GCNUUTWEKFXWQW-JKSUJKDBSA-N 314.360 2.871 0 40 DFAB COc1ccccc1[C@H](CNC(=O)c1ccccc1F)N(C)C 23694025 LINTYBSIUDHAIR-INIZCTEOSA-N 316.376 2.867 0 40 DFAB biogenic Cc1cnn(C[C@@H]2CCCN2Cc2cccc3c2OCCO3)c1 71875989 LRCGUPIKHWEBMK-INIZCTEOSA-N 313.401 2.627 0 40 DFAB Cn1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cccc1=O 97143525 SJEQBCZWFULVEI-UHFFFAOYSA-N 313.140 2.650 0 40 DFAB Cn1ccnc1C[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 97376973 YOSRBLFQESGTEF-HNNXBMFYSA-N 315.465 2.826 0 40 DFAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84422102 SHTYVCDLRGQDDL-RBSFLKMASA-N 324.384 2.809 0 40 DFAB COc1ccc2c(c1)OCC[C@@H]2Nc1cc(Cl)nc(N)n1 78380515 ZBBRRJAXJSBEOS-JTQLQIEISA-N 306.753 2.657 0 40 DFAB Cc1noc(-c2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)n1 23007733 PUZUDQAUMAYHLZ-UHFFFAOYSA-N 311.345 2.648 0 40 DFAB CCC(CC)[C@@H](C(=O)NCc1cccc(C)c1)N1CCOCC1 95401799 RAZGKXJUXBLFER-SFHVURJKSA-N 318.461 2.748 0 40 DFAB COc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1 95462658 YJXYZSWFHBGIJM-UTKZUKDTSA-N 303.427 2.905 0 40 DFAB OC1(C(F)(F)F)CCC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 95462772 ATDACXYFSIQLSB-UOQZBTRHSA-N 319.367 2.770 0 40 DFAB C[C@@H](SCc1cc(F)cc2c1OCOC2)C(=O)NC1CC1 78557524 LJIANYXQXDILOB-SECBINFHSA-N 311.378 2.593 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(N(C)C)cn1 84971592 AFAYJVIKAASXMM-NSHDSACASA-N 302.403 2.662 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)CS(C)(=O)=O 95984999 ADDSWGBCJXKVRE-UWVGGRQHSA-N 324.273 2.947 0 40 DFAB COC(=O)c1ccc(F)cc1SCc1nnc(C2CC2)n1C 95983951 SENODKFSCKRKQC-UHFFFAOYSA-N 321.377 2.911 0 40 DFAB O=C(CCn1cccn1)N[C@H]1CCCOc2cc(Cl)ccc21 95987140 DBRNPKJGVBMZMR-AWEZNQCLSA-N 319.792 2.957 0 40 DFAB COc1ccccc1[C@H](N[C@@H]1CCSC1)c1noc(C)n1 95991404 ZKOAUHRKLLCINL-RISCZKNCSA-N 305.403 2.571 0 40 DFAB C[C@H](c1cccnc1)N(C)CC(=O)N1CCc2sccc2C1 95977284 PZMCWOYKPFTDNX-CYBMUJFWSA-N 315.442 2.721 0 40 DFAB COCC(C)(C)NC(=O)c1cccc(Br)c1C 79957105 MYDQPJUKYMVHJS-UHFFFAOYSA-N 300.196 2.912 0 40 DFAB CCCn1ccc(C(=O)Nc2ncc(Br)s2)n1 27971554 VLSPMQIYRXNWNZ-UHFFFAOYSA-N 315.196 2.764 0 40 DFAB Cc1noc(C)c1CN(C)[C@@H](C)c1nnnn1C1CCCCC1 188718821 XVFCDIJDQDOIGQ-LBPRGKRZSA-N 318.425 2.976 0 40 DFAB COc1ccc(-n2nc(C(=O)c3cccs3)sc2=N)cc1 3849178 WFAPKMPZMRYWSZ-UHFFFAOYSA-N 317.395 2.714 0 40 DFAB biogenic C[C@@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2N1 78404019 VMFROJPLBZZJSH-CYBMUJFWSA-N 316.426 2.864 0 40 DFAB COC(=O)CN(C(=O)c1ccccc1Cl)n1c(C)ccc1C 34776637 TZVJQSZCRLGASF-UHFFFAOYSA-N 320.776 2.710 0 40 DFAB COc1ccc(NC(=O)CN(C)[C@@H]2CC[C@H](SC)C2)cc1 72776729 IVYMVUKFUIPAIF-HIFRSBDPSA-N 308.447 2.850 0 40 DFAB O=C(O)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 73634496 BONHTHDJTHMSGK-UHFFFAOYSA-N 314.248 2.570 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 72382659 KBGCVGKBRLYEKX-OAHLLOKOSA-N 311.389 2.997 0 40 DFAB C[C@H]1CCCN(CCNC(=O)c2cnccc2C(F)(F)F)C1 565179427 GBICIWWOONLKQJ-NSHDSACASA-N 315.339 2.562 0 40 DFAB Cc1n[nH]cc1CNCCOc1ccc(Br)cc1 78553278 SNBMEMMCMIYAEL-UHFFFAOYSA-N 310.195 2.649 0 40 DFAB COC(=O)N1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 80500809 JRACEFBYIBUAFL-ZDUSSCGKSA-N 316.357 2.620 0 40 DFAB S=C(Nc1ccccc1)NC1CCN(C2CCOCC2)CC1 225212545 VNEYPADTYSIAFW-UHFFFAOYSA-N 319.474 2.616 0 40 DFAB CCCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44899758 KSJLZUJTCFTDHI-UHFFFAOYSA-N 318.826 2.632 0 40 DFAB Cc1ccc([C@@H]2COCCN2CCc2ccccc2C(=O)O)o1 580838805 SPHMTBORNXGNKZ-INIZCTEOSA-N 315.369 2.902 0 40 DFAB CCc1ccc([C@H]2CCN(Cc3nc(C(=O)O)co3)C2)cc1 576529994 JNRBPSYUOPZABA-AWEZNQCLSA-N 300.358 2.925 0 40 DFAB CCCCOCCNC(=O)c1cccc(Nc2cnccn2)c1 96414345 XAWRWNJWORBNLY-UHFFFAOYSA-N 314.389 2.767 0 40 DFAB CCn1cc2c(n1)[C@H](COC)CN(Cc1ccc(F)cc1)C2 96059884 NVBFACLAVAACPN-HNNXBMFYSA-N 303.381 2.788 0 40 DFAB COc1cc(NC(=O)N(C)[C@@H](C)Cc2ccsc2)ncn1 96501626 KJGSORHPJTYAJD-JTQLQIEISA-N 306.391 2.642 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccn(-c2ccc(F)cc2)n1 90944354 VJTNYVFQGUVDEG-LBTNJELSSA-N 316.424 2.830 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)NC1Cc2ccccc2C1 97377408 QZCRJBOCWNJQTO-NSHDSACASA-N 313.401 2.689 0 40 DFAB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)N(C)C 96446715 RHSGVGWDEJBQMG-MNOVXSKESA-N 304.843 2.570 0 40 DFAB C[C@@H](CC1CC1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97095383 GASKWSBBNAYHMH-ZDUSSCGKSA-N 308.447 2.522 0 40 DFAB COc1cc(CN(C)c2ncc(Br)cn2)ccc1O 96485707 AMOJSSHGEOKYID-UHFFFAOYSA-N 324.178 2.590 0 40 DFAB Cc1noc(CNC(=O)CC2(Cn3cccc3)CCCCC2)n1 524735302 PQECUVPLPBJUFI-UHFFFAOYSA-N 316.405 2.837 0 40 DFAB C[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@@](O)(C(F)(F)F)[C@H]2C1 245232517 WWMBCTJTJQTNDI-ZDMBXUJBSA-N 316.279 2.779 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)n1 257207137 BGMGDPJERNOFMO-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccoc1 253472930 QREIRLZPHHFNRJ-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB Cc1cc(C[C@@H]2COCCN(CCc3ccccc3)C2)ncn1 257219645 DHOJZCZBMTYQKC-SFHVURJKSA-N 311.429 2.519 0 40 DFAB COc1ccc(CCNCc2cnn(C(C)C)c2)cc1OC 256050299 DNPWJIHGCFGXQL-UHFFFAOYSA-N 303.406 2.814 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257343064 ZRIKKSHXOOZYQC-AWEZNQCLSA-N 309.373 2.652 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1cnccn1 257316808 VHBVLPWYEITHIU-MRXNPFEDSA-N 321.384 2.649 0 40 DFAB CC[C@H](C)NC(=O)CCCn1cc(COc2ccccc2)nn1 252490945 LGCBMTVCRGQBNU-AWEZNQCLSA-N 316.405 2.552 0 40 DFAB COC1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1 96104456 AUXABOZKSKLVSF-UHFFFAOYSA-N 311.385 2.949 0 40 DFAB Cc1ccccc1OCC(=O)NCCCn1ccc2cccnc21 96353373 ZUWCPILLAPWHHB-UHFFFAOYSA-N 323.396 2.930 0 40 DFAB O=C(NCc1cncc(C2CC2)c1)c1ccc2nsnc2c1 575620325 RXKYLNLWNVKWFQ-UHFFFAOYSA-N 310.382 2.894 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)N3CCOC[C@@H]3C)sc2n1 44915521 GZLZUUSOIMYJHJ-VIFPVBQESA-N 319.430 2.731 0 40 DFAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 71847048 SJTSANKIJGFHFQ-WBVHZDCISA-N 310.401 2.562 0 40 DFAB COC1CCN(C(=O)Cc2ccc(OCC(C)C)cc2)CC1 71882624 NKSKSHPBELAZSK-UHFFFAOYSA-N 305.418 2.901 0 40 DFAB Cc1noc([C@H]2CCCN2C(=O)NCCCc2ccccc2)n1 90608581 GFJYXWUIPBWMQC-OAHLLOKOSA-N 314.389 2.857 0 40 DFAB Cc1cc(C)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)[nH]1 95415206 KXACBRNJRITSIV-UHFFFAOYSA-N 309.410 2.665 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1C[C@@H]1c1c(F)cccc1F 84339104 XCIZTNCLNGLCLT-OXJKWZBOSA-N 309.356 2.736 0 40 DFAB Cc1occc1-c1nc(N2CCOCC2)ncc1-c1ccncc1 12222846 VNRADPHTYJNODG-UHFFFAOYSA-N 322.368 2.944 0 40 DFAB CN(c1ccccn1)C1CCN(c2cc3c(nn2)CCCC3)CC1 1888856517 LKIVHWIIQKCSDG-UHFFFAOYSA-N 323.444 2.856 0 40 DFAB Cn1nccc1-c1ccc(CCNC(=O)NC2CCCC2)cc1 1889148914 BAXSGBWOZZLGGR-UHFFFAOYSA-N 312.417 2.871 0 40 DFAB NC(=O)[C@@H](Nc1cccc(Cn2cccn2)c1)c1ccccc1 27013833 HYARQNWMDYGCMJ-KRWDZBQOSA-N 306.369 2.570 0 40 DFAB CC(C)C(=O)NCCNC(=O)c1cc2c(s1)CCCCCC2 36866359 HDRYZQKBPCNSAD-UHFFFAOYSA-N 322.474 2.909 0 40 DFAB Cn1ccc2cc([C@@H](O)CNC(=O)c3ccsc3)ccc21 252489814 KBJAOVDTMXSLHN-HNNXBMFYSA-N 300.383 2.703 0 40 DFAB CCn1cc(CNc2ncnc3cnccc23)c(C(F)(F)F)n1 2086968287 UOIPDNMYEZPIJQ-UHFFFAOYSA-N 322.294 2.872 0 40 DFAB c1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3nccnc23)cc1 9075189 HBKKLHBRDLIFLJ-ZDUSSCGKSA-N 322.372 2.754 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 22507198 DGIUGLVBTNCLFC-UHFFFAOYSA-N 315.398 2.979 0 40 DFAB CC(C)N(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 44121485 WQPTVGJCVDLFLH-UHFFFAOYSA-N 323.356 2.577 0 40 DFAB CN(C)c1ccc(-c2nc3n(c2NC(C)(C)C)CCNC3)cc1 12116007 DEHYLFFPXMHJLM-UHFFFAOYSA-N 313.449 2.930 0 40 DFAB CNC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F 50086611 BBPOUXOEAIGPLZ-HZMBPMFUSA-N 307.369 2.886 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)c1csc(Br)c1 30765419 BQJFRUQITJOLPX-UHFFFAOYSA-N 314.208 2.516 0 40 DFAB COc1cc(C(=O)N2CCCC2)cc(OC)c1Br 50823296 WIMXCQRVRVZMPO-UHFFFAOYSA-N 314.179 2.702 0 40 DFAB Cc1nc(N2CCNC(=O)C2)c2c(-c3ccccc3)csc2n1 7984920 XAGXKFLEWABDQC-UHFFFAOYSA-N 324.409 2.603 0 40 DFAB CCCCOc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1 1578309 DUAJXTNGNHTVGR-UHFFFAOYSA-N 310.353 2.858 0 40 DFAB O=C(COc1ccccc1)NC(=S)N1CCc2ccccc21 358864 LWJFMESFTFRMBE-UHFFFAOYSA-N 312.394 2.529 0 40 DFAB aggregator CCN(CC)c1ccc(C(=O)OCC(=O)NC2CCCC2)cc1 3396558 AJUWTLXRGFRFSM-UHFFFAOYSA-N 318.417 2.748 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)c1ccccc1S(C)(=O)=O 21321761 RMQIEUOUKYHXER-CYBMUJFWSA-N 317.410 2.890 0 40 DFAB Cn1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)ccc1=O 69780037 XMMUHXAUKLMGFX-QGZVFWFLSA-N 310.397 2.623 0 40 DFAB CSc1ncccc1C(=O)NC[C@@H](c1cccs1)N(C)C 32721212 ONZPEIWHFFRHBN-LBPRGKRZSA-N 321.471 2.898 0 40 DFAB Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 21520508 PWTSMFRGLHKGTM-JTQLQIEISA-N 307.419 2.614 0 40 DFAB O=C(Cn1nnc2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 6671823 QRUSBHFDUBFAFC-UHFFFAOYSA-N 323.396 2.577 0 40 DFAB CSc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 6943337 ZFYUAKHADUDATE-LBPRGKRZSA-N 315.394 2.978 0 40 DFAB CC(=O)NCCNc1ncnc2sc(-c3ccccc3)cc12 8063605 COCNCTBLMZCWHC-UHFFFAOYSA-N 312.398 2.906 0 40 DFAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)N1CCCCCC1 22413277 HFSIQUWFVOOTMO-INIZCTEOSA-N 308.447 2.848 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc([S@@](=O)C(C)C)cc1 110663255 OJEFWQZFTBRZEB-VTJXTGGHSA-N 310.415 2.927 0 40 DFAB O=C(c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 22596840 FCHVANBQGWHNIX-UHFFFAOYSA-N 301.367 2.718 0 40 DFAB CCCNC(=O)CNC(=O)c1cc2c(s1)CC[C@@H](CC)C2 22692232 SNDRBGNSFKDYDP-LLVKDONJSA-N 308.447 2.519 0 40 DFAB O=C(NCc1ccncc1)c1c[nH]c2ccc(Cl)cc2c1=O 12324979 LZHBFJRUUNVNMN-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB O=C(NCc1cccnc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 75582402 WXZRYARMOGXTAY-IRXDYDNUSA-N 311.385 2.801 0 40 DFAB O=C(Nc1cccc(-n2cnnn2)c1)c1cnc2ccsc2c1 76040668 OJNGPVVCFOWONK-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2ccc3ccccc3n2)cn1 76068403 QTKYLBFEQWEJSB-UHFFFAOYSA-N 316.386 2.813 0 40 DFAB COCCOCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 56634178 NKNSWHIIGOTRLP-SECBINFHSA-N 306.189 2.834 0 40 DFAB O=C(c1csnn1)N1CCn2cccc2[C@@H]1c1ccccc1 57259253 YVPKJFKVGNVHGB-HNNXBMFYSA-N 310.382 2.585 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 78154799 XIZAGJGNZMAYET-QCODTGAPSA-N 303.377 2.859 0 40 DFAB CCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1 2062970 TXRVFXDINMFTDC-UHFFFAOYSA-N 302.374 2.706 0 40 DFAB Cc1cc(C)c(NC(=O)N[C@H](C)c2cnn(C)c2)c(Cl)n1 78988635 GMTPCWZIIVNVLP-SNVBAGLBSA-N 307.785 2.968 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1ccc(Cl)cc1 10199306 BVRHEHMLVHSLHI-UHFFFAOYSA-N 320.776 2.659 0 40 DFAB CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1F 58140810 REGPDEATFRKDFX-KRWDZBQOSA-N 314.404 2.657 0 40 DFAB CCCC(=O)Nc1cc(-c2nn3cnnc3s2)ccc1OC 10119881 ABVQJHZSDSBEAP-UHFFFAOYSA-N 317.374 2.600 0 40 DFAB CCO[C@H](C)C(=O)NCC1(c2ccccc2C)CCOCC1 58264549 BGZALRIPSGMUHK-OAHLLOKOSA-N 305.418 2.584 0 40 DFAB COCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1 58282065 LSRJWXRSOREMGM-UHFFFAOYSA-N 322.386 2.721 0 40 DFAB c1csc(-c2noc(CN(C[C@@H]3CCOC3)C3CC3)n2)c1 44937946 DKJFBHRBRMNIEY-NSHDSACASA-N 305.403 2.799 0 40 DFAB COc1ccc(NC(=O)COc2cc(C)ccc2C)cc1N 20344485 YTEHKDOCDGEYQE-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB CCN1CCN(Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 48366536 DVJLFBOLVNZYST-UHFFFAOYSA-N 314.433 2.998 0 40 DFAB COC(=O)c1cc(OCc2cccc(F)c2)cc(C(=O)OC)c1 12814615 VVHWXQLHPMBWQE-UHFFFAOYSA-N 318.300 2.978 0 40 DFAB O=C1CCc2cc(C(=O)OC[C@H]3CC3(Cl)Cl)ccc2N1 12886061 VOLKCBQUHCMEOF-SNVBAGLBSA-N 314.168 2.922 0 40 DFAB c1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 13010330 CALCENZHKLMSKA-HNNXBMFYSA-N 308.370 2.782 0 40 DFAB O=C(CCCOc1ccccc1)N1CCCC[C@H]1C1OCCO1 69216029 OBDVLEHGFDMLLM-INIZCTEOSA-N 319.401 2.600 0 40 DFAB CCCC[C@H](CC)CNS(=O)(=O)c1cccc2nonc12 13938896 UBEVAIPBFVMKSC-NSHDSACASA-N 311.407 2.718 0 40 DFAB CN(C)CCN(Cc1ccccc1)C(=O)Cc1cccs1 65591458 KZJAOMGNANERPM-UHFFFAOYSA-N 302.443 2.881 0 40 DFAB O=C(Cc1ccccc1O)NCCc1cccc2cccnc12 65515091 XHNIQGMNDNHHKW-UHFFFAOYSA-N 306.365 2.842 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H](C1CC1)N(C)C 69593300 BLLXYJKKTAPXFV-MRXNPFEDSA-N 313.401 2.720 0 40 DFAB Cc1ccccc1-c1nnn(CC(=O)N[C@H](C)c2ccccc2)n1 6861269 UVYUCULOXBINNP-CQSZACIVSA-N 321.384 2.526 0 40 DFAB CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 7057455 BOZXIGSWPYDKJK-UHFFFAOYSA-N 321.354 2.584 0 40 DFAB O=C1c2ccccc2C(=O)N1CSc1ncnc2ccccc12 7062415 ZNWRMUVFLNBDEQ-UHFFFAOYSA-N 321.361 2.976 0 40 DFAB O=C(N[C@H]1C[C@H]1c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 67620164 OWNNRDLCUGWGFO-XLAORIBOSA-N 308.381 2.500 0 40 DFAB Nc1ncccc1CN1CCc2[nH]cnc2[C@H]1Cc1ccccc1 67755788 YJVMEZJPVZKGNW-QGZVFWFLSA-N 319.412 2.729 0 40 DFAB CC(=O)c1ccc(OCC(=O)Nc2nc(C(C)=O)cs2)cc1 18232993 CLTBPCFGBQETQM-UHFFFAOYSA-N 318.354 2.566 0 40 DFAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 16108650 VNUQFINHCVQHHH-NSHDSACASA-N 321.373 2.720 0 40 DFAB CC[C@H](C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 9009913 CAHDAIQLPLVTBB-QMMMGPOBSA-N 312.416 2.684 0 40 DFAB O=C(COc1ccc2c(c1)OCCO2)Nc1ccc(F)c(F)c1 9449705 NWXHJJIVOKNXJH-UHFFFAOYSA-N 321.279 2.754 0 40 DFAB COC(=O)c1ccc(NC(=O)NCc2ncccc2C)c(C)c1 72274144 FIQFOFBYEWVFKI-UHFFFAOYSA-N 313.357 2.807 0 40 DFAB O=C(NCCc1nc2cc(Cl)ccc2s1)c1cnccn1 9513685 VWNSVTAURLWTMX-UHFFFAOYSA-N 318.789 2.712 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H]1CCCOC1 97145707 SLOIFXHSYJSZBK-GJZGRUSLSA-N 303.402 2.658 0 40 DFAB C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)NC1CC1 97140125 ZZLUVDRBIWFGDQ-LLVKDONJSA-N 318.808 2.664 0 40 DFAB O=c1c(Cl)c(Cl)cnn1CCOc1ccccc1F 71913530 YLZZXMDONQRBAZ-UHFFFAOYSA-N 303.120 2.768 0 40 DFAB CCCCCN(CCO)Cc1noc(Cc2ccccc2)n1 71902322 UGVFCAXGQHVZJR-UHFFFAOYSA-N 303.406 2.645 0 40 DFAB Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)cn1 72406131 HNQKLERHNAFJEL-UHFFFAOYSA-N 315.764 2.726 0 40 DFAB O=C(O)c1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 88211715 FECJSIPKPJYWRO-LLVKDONJSA-N 301.264 2.799 0 40 DFAB Cc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)nn1C(C)(C)C 95947191 LMHFAWNVBROFJQ-AWEZNQCLSA-N 315.373 2.502 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccnc(-n2ccnc2)c1 95956206 ADTGJYADDOBHRE-CVEARBPZSA-N 322.343 2.692 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCCc1csc2ccccc12 89340051 DGJDZHXCSIXHRQ-OAHLLOKOSA-N 318.442 2.856 0 40 DFAB CCOc1c(Cl)cc(C(=O)NC[C@@H]2CCCO2)cc1OC 27393245 SCQQMWCBDUHNJI-NSHDSACASA-N 313.781 2.656 0 40 DFAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408605342 JSNCERLPRHEDOG-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB OCCNc1nc(Cl)nc2c1cnn2-c1ccc(Cl)cc1 67172373 AGMFMUJYNMJJDV-UHFFFAOYSA-N 324.171 2.527 0 40 DFAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 30862514 LNKIALOKWSUGMQ-HNNXBMFYSA-N 316.332 2.721 0 40 DFAB O=C1NCCCC12CCN(Cc1cccc3cccnc13)CC2 72393746 JQUVBDJOPAWGPJ-UHFFFAOYSA-N 309.413 2.727 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN(c3cnccn3)C2)n1 72355686 CMBGSZBQBRFQLM-HNNXBMFYSA-N 320.400 2.750 0 40 DFAB COc1ccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c2c1 35288823 KFTJRRWCOHILPN-UHFFFAOYSA-N 314.366 2.528 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1C(F)(F)F 79001856 IHCLDMIJALCNPH-NRFANRHFSA-N 321.364 2.982 0 40 DFAB Cc1cccc(Oc2nccnc2[C@H]2CCCN(CCO)C2)c1 72361612 XCCNCJLKAWVMLI-HNNXBMFYSA-N 313.401 2.749 0 40 DFAB CN1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1 74861052 QBULTEQEILTWCI-UHFFFAOYSA-N 317.216 2.583 0 40 DFAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCOCC1 77723653 AKDDPBVEKPCDPJ-UHFFFAOYSA-N 303.406 2.931 0 40 DFAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225816208 YQYYKOJJTJYFEM-MRXNPFEDSA-N 309.362 2.626 0 40 DFAB CC[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)OC 192842800 HNCCQITXFGLYSL-AWEZNQCLSA-N 302.330 2.895 0 40 DFAB CCCOCc1cc(C(=O)NC[C@@H]2CCCO2)ccc1OCC 224703867 YOXOLICACBRGFG-INIZCTEOSA-N 321.417 2.921 0 40 DFAB COC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1 43461951 CHQOIIYFIUPLFP-UHFFFAOYSA-N 319.401 2.600 0 40 DFAB Cc1nc(Cc2noc([C@H]3C[C@@H]3c3ccc(F)cc3F)n2)no1 193160735 KDYRSNUIGKKJGD-MNOVXSKESA-N 318.283 2.901 0 40 DFAB CO[C@@H](C(=O)NCc1ccn(-c2ccccc2)n1)c1ccccc1 225565570 JYZFPVYIUGXIFJ-GOSISDBHSA-N 321.380 2.876 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ncn(C)c21 96060214 BZRSSFFXVJHPMQ-HNNXBMFYSA-N 315.417 2.565 0 40 DFAB CC[C@H](C)[C@H](C(=O)NCCCN1CCOC1=O)c1ccccc1 96408427 GKVRJPKKMQAVMV-HOCLYGCPSA-N 318.417 2.775 0 40 DFAB CC1(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)CCOCC1 96409079 APLROWOOYKPLIY-MRXNPFEDSA-N 303.402 2.621 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1 96491428 CKSXASAXHCTQLR-BXKDBHETSA-N 320.311 2.781 0 40 DFAB CCC(C)(C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 96408246 WDPZUHUTBOEXNR-NRFANRHFSA-N 311.447 2.956 0 40 DFAB c1cncc(O[C@H]2CN(Cc3cccs3)[C@H]3CCCO[C@H]23)c1 96058076 XIXCWQCWUOAZJM-ULQDDVLXSA-N 316.426 2.954 0 40 DFAB CCC[C@H](NC(=O)N1CC[C@@](F)(CO)C1)C1CCCCC1 252510871 ZQEQHHRWSSSPSM-HOCLYGCPSA-N 300.418 2.851 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H](Cc2ccccn2)C1 257345050 ZZTCLPYNKALTLZ-LBPRGKRZSA-N 316.430 2.590 0 40 DFAB C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)Cc1ccsc1 618256859 MVHIKODVVZYLOS-INIZCTEOSA-N 307.390 2.540 0 40 DFAB Cc1ccc(-n2cc(NC(=O)N(C)[C@@H]3CCOC3)cn2)c(C)c1 276343273 GHMMTXJRUNIXSR-OAHLLOKOSA-N 314.389 2.742 0 40 DFAB COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)nn1 283297909 YIOQPEWIHJWNMJ-ZIAGYGMSSA-N 319.430 2.635 0 40 DFAB Cn1cc(CN2CCOC[C@H]2c2cc[nH]n2)c2cc(F)ccc21 585261120 NPEHCGLEWBJBEL-KRWDZBQOSA-N 314.364 2.614 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)Cc2csc(N3CCCC3=O)n2)C1 45205369 SSEXFOHANSRYIK-RYUDHWBXSA-N 321.446 2.507 0 40 DFAB COc1ccc(CC(=O)NCCSC(F)(F)F)cc1F 58264930 HWAYYSZNCGIQIP-UHFFFAOYSA-N 311.300 2.746 0 40 DFAB CC(C)(C)CC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58246579 QGKJWOKVDOLFQF-MRXNPFEDSA-N 322.424 2.751 0 40 DFAB Cn1ccs/c1=N\C(=O)CCC(=O)c1ccc(Cl)cc1 69101380 KHTVSYYBVPVQBV-PEZBUJJGSA-N 308.790 2.830 0 40 DFAB CSCCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 79070481 MZNMEPHKTIHHAK-NSHDSACASA-N 314.401 2.803 0 40 DFAB Nc1cc(F)c(OC(F)(F)F)cc1I 98211099 UUHHBULPQOBJOW-UHFFFAOYSA-N 321.011 2.911 0 40 DFAB CCn1nc2nc(SCC(=O)O)cc(C(F)F)c2c1C 12398875 GTMHLOZFIXNLBW-UHFFFAOYSA-N 301.318 2.874 0 40 DFAB O=C(NCc1ccco1)Nc1c[nH]c2ccc(F)cc2c1=O 13565947 MXBXKVWOACQNBA-UHFFFAOYSA-N 301.277 2.582 0 40 DFAB CCN1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc23)CC1 13709296 HSCKYZRMYUNPJG-OAHLLOKOSA-N 312.413 2.771 0 40 DFAB CCc1ncc(CN2CCC(COc3ccccn3)CC2)cn1 19523342 HUUDDJXTEWHPCH-UHFFFAOYSA-N 312.417 2.725 0 40 DFAB CC(C)c1nc2ccccc2n1C1CN(C(=O)[C@H]2CCOC2)C1 1888854036 ZEHFMNXVTWWYAF-ZDUSSCGKSA-N 313.401 2.580 0 40 DFAB Cc1nnc(N2CCN(c3nsc4ccccc34)CC2)s1 1888897892 DJRKTLIXCJYFPO-UHFFFAOYSA-N 317.443 2.783 0 40 DFAB COc1ccccc1CCNc1cc(-n2nc(C)cc2C)ncn1 1888913751 BVRZREAHWOOVEL-UHFFFAOYSA-N 323.400 2.942 0 40 DFAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 1565543134 ANEFQCKZHXZRDR-QFBILLFUSA-N 314.429 2.682 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@]2(O)C=CCCC2)c1C 606440426 RRFAYBKKXSCWPA-QGZVFWFLSA-N 323.458 2.670 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@]2(O)C=CCCC2)c1C 606440424 RRFAYBKKXSCWPA-KRWDZBQOSA-N 323.458 2.670 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccnn2[C@H](C)C[C@@H]1C 40149743 GEDLDOUFHYDQFB-NEPJUHHUSA-N 323.393 2.879 0 40 DFAB Cc1c(C(=O)N2CCC(c3nncn3C)CC2)oc2ccccc12 30859761 WIOQZOUXASHQFE-UHFFFAOYSA-N 324.384 2.890 0 40 DFAB COC(=O)C1(OC)CCC(c2nc(C)cc(SC)n2)CC1 1857793758 HZNOQJBYRHJCPA-UHFFFAOYSA-N 310.419 2.723 0 40 DFAB CCn1c(Cc2ccccc2)nnc1SCC(=O)OC(C)C 904430 BTEMQPUGPWOZPZ-UHFFFAOYSA-N 319.430 2.933 0 40 DFAB CN(CCCOc1ccccc1)[C@H](C(N)=O)c1ccc(F)cc1 29855004 NTOHYLVKBVYJMH-KRWDZBQOSA-N 316.376 2.753 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(Cc1csnn1)C2 102318557 FAJMEEMJEIPMCX-STQMWFEESA-N 324.450 2.512 0 40 DFAB COc1c(C)cc(S(=O)(=O)NCc2ccco2)c(C)c1C 802695 OERYUKJTTDPGHU-UHFFFAOYSA-N 309.387 2.692 0 40 DFAB Cc1cccc(OC[C@H](C)NC(=O)c2cnc3[nH]nc(C)c3c2)c1 54164946 NPYUHWRXTOSNRD-LBPRGKRZSA-N 324.384 2.772 0 40 DFAB Cc1ccc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)cc1 23384135 RTHMXBGZZJNXAL-UHFFFAOYSA-N 315.417 2.639 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)n1 54661118 MBJNKPGNPXIXQS-MRZGDXHCSA-N 315.348 2.937 0 40 DFAB O=C(c1cncc(-c2ccnc3[nH]ccc23)n1)N1CCCCC1 72147133 MPJVVRXEHBWYAE-UHFFFAOYSA-N 307.357 2.646 0 40 DFAB Cc1csc(N2CCN(c3ncnc4ccsc34)CC2)n1 24659334 MDXLGAFXQUWDKU-UHFFFAOYSA-N 317.443 2.783 0 40 DFAB Cn1cc(CCC(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 55364730 YBBNXMOLTOXHQP-QGZVFWFLSA-N 312.417 2.892 0 40 DFAB C[C@H]1CO[C@H](C)CN1C[C@H](O)COc1cccc2ccccc12 106524906 MBDOAYALEWVNQN-UXLLHSPISA-N 315.413 2.689 0 40 DFAB CCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)o1 25129021 CMZOPYMMFPVCDY-SNVBAGLBSA-N 314.341 2.664 0 40 DFAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H]2CCCC[C@@H]2C)no1 34863418 UMOWWMVCLSXGBW-BJJXKVORSA-N 305.422 2.815 0 40 DFAB O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[C@H]1c1ccco1 107494209 SVLRHUKKPXQCIH-MSOLQXFVSA-N 324.424 2.948 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCOCC3)cc2)cs1 25969830 NNPUKMRSDXBSRY-UHFFFAOYSA-N 318.398 2.503 0 40 DFAB Cc1csc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)n1 57153318 XEEKTGOGFDRBCR-HNNXBMFYSA-N 315.442 2.732 0 40 DFAB O=C(COc1ncnc2ccccc12)Nc1ccc(F)cc1F 3273340 XAHDSCXTGDNZPF-UHFFFAOYSA-N 315.279 2.926 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1cn(Cc2ccccc2)nn1 44896366 CXPXUOFCOUEYSV-KRWDZBQOSA-N 318.380 2.744 0 40 DFAB CCCn1cc(NC(=O)Cc2cn(C)c3ccccc23)ccc1=O 58290775 JJBBHESPFMAXMJ-UHFFFAOYSA-N 323.396 2.931 0 40 DFAB Cc1cc(C)c(S(=O)(=O)n2nnc3cc(C)ccc32)c(C)c1 58902108 MCHIDYWVPVJRMP-UHFFFAOYSA-N 315.398 2.902 0 40 DFAB CCOC(=O)c1ccc2c(=O)nc3n(c2c1)Cc1ccccc1-3 36611808 JFWIWMXNJCAAMS-UHFFFAOYSA-N 306.321 2.602 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(N(C)C)c1 3315606 SQSYEFDPTUPUJX-CZUORRHYSA-N 318.417 2.604 0 40 DFAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Cl)cc1F 12760319 BOVVVMTVKGDOAU-UHFFFAOYSA-N 317.711 2.912 0 40 DFAB Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)on1 48353477 WITYREXUZWZBSI-NSHDSACASA-N 308.721 2.582 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 48313701 SBEDVJRFWXKIBI-UHFFFAOYSA-N 319.744 2.762 0 40 DFAB COc1ccc(-c2nnc(SCC(=O)NCC(C)C)o2)cc1 3458894 CWEYGDKBVPTLEG-UHFFFAOYSA-N 321.402 2.610 0 40 DFAB COc1ccc(CC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1 48408556 XWIFPWYRHYXMPC-ZDUSSCGKSA-N 315.417 2.504 0 40 DFAB Cn1cc(CC(=O)NCc2cn3ccccc3n2)c2ccccc21 38746581 OYPUJKWKXQHNMR-UHFFFAOYSA-N 318.380 2.685 0 40 DFAB Cc1cc(=O)[nH]c2sc3c(C(F)(F)F)cc(=O)[nH]c3c12 18188827 PXHPWAXVBXNAJX-UHFFFAOYSA-N 300.261 2.758 0 40 DFAB Cc1nnsc1-c1nnc2sc(Cc3ccccc3)nn12 39214131 CECOOVSUYAWVBE-UHFFFAOYSA-N 314.399 2.604 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(O)c2)N3)C1 4349441 LLOVQYPLIQVARR-CQSZACIVSA-N 315.398 2.871 0 40 DFAB CCCc1nnc(S)n1CC(=O)N[C@@H](C)c1cccc(F)c1 39995535 ILEPIYSSABACHI-JTQLQIEISA-N 322.409 2.536 0 40 DFAB FC(F)(F)c1ccccc1NNC(=S)NC[C@@H]1CCCO1 6332264 WLTMJYZUNQMSNS-VIFPVBQESA-N 319.352 2.675 0 40 DFAB CC[C@H](CO)NC(=O)c1csc(Nc2cccc(C)c2)n1 14009670 HLPOREXNPBNHJE-LLVKDONJSA-N 305.403 2.696 0 40 DFAB COc1ccc(CC(=O)Nc2ccccc2OC)c(OC)c1 14014924 CVNZKJUOPJSXRV-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB O=C(Nc1nonc1-c1nc2ccccc2s1)C(F)(F)F 4503523 RCOCVSSNMIIADA-UHFFFAOYSA-N 314.248 2.847 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1 14260284 CTBQJBRSQJJMPH-ZDUSSCGKSA-N 311.385 2.928 0 40 DFAB O=C(O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1Cl 307324878 SHTPIGIDPRBHQJ-UHFFFAOYSA-N 315.712 2.834 0 40 DFAB COc1ccccc1CC(=O)NCc1ccccc1CN(C)C 6992873 IBWGIKBQFMABSK-UHFFFAOYSA-N 312.413 2.616 0 40 DFAB CC(=O)N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl 19315859 PXHNFFILPNNIJM-LLVKDONJSA-N 309.624 2.651 0 40 DFAB O=C(N[C@H](N1CCCC1)C(Cl)(Cl)Cl)c1ccco1 19315631 XZONXRIQLRYQTR-SNVBAGLBSA-N 311.596 2.802 0 40 DFAB CCOc1ccc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc1 5906334 IPCCUKFWPQKAQQ-WQLSENKSSA-N 305.359 2.730 0 40 DFAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4c(=O)[nH]nc4c23)C1 67321053 IVEZCKPHBSESNE-MRVPVSSYSA-N 302.403 2.783 0 40 DFAB CCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 7996787 UTWCPVSEIOYMLO-MRVPVSSYSA-N 317.370 2.878 0 40 DFAB Cn1c(Sc2ncnc3sccc23)nnc1C(F)(F)F 7983896 HVODPGOTYDXTOP-UHFFFAOYSA-N 317.321 2.990 0 40 DFAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)NC1CCCCC1 7982651 TVMOCPRXMWTXOF-GFCCVEGCSA-N 304.390 2.861 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1OC 8119201 JWPITNNVKUQLFM-AWEZNQCLSA-N 320.433 2.585 0 40 DFAB CC[C@H]1CCCN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C1 96007312 HKIZBPZVLCNBPB-ZDUSSCGKSA-N 309.431 2.919 0 40 DFAB CC(C)[C@H]1CCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 71830017 YRDWBBGHVZRCHX-OAHLLOKOSA-N 313.401 2.503 0 40 DFAB CCOC1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 71821793 YQICUILMTKATDA-UHFFFAOYSA-N 321.808 2.577 0 40 DFAB CCSc1ccc(C(=O)Nc2nc(C(C)C)nn2C)cn1 71896334 VONSFKUYDXAASY-UHFFFAOYSA-N 305.407 2.698 0 40 DFAB CN(CCc1ccncc1)[C@@H]1CCN(c2ccccc2F)C1=O 71900669 CEGGDIBYXRQUDU-QGZVFWFLSA-N 313.376 2.501 0 40 DFAB Cn1cc(N2CCC[C@H](N[C@H](c3ccccc3)C3CC3)C2=O)cn1 97034199 VXEPTPKPMBQIHI-ZWKOTPCHSA-N 324.428 2.656 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)o1 97050149 DAKVRQYFVRQDDD-VQCYPWCPSA-N 320.370 2.942 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)no1 72274122 SZVPCXDICNHFHF-KBPBESRZSA-N 316.405 2.791 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 84235345 WDEZXOLPVRVVLC-AYOQOUSVSA-N 323.440 2.923 0 40 DFAB O=C(Nc1cncnc1N1CCCC1)c1cccc2ncccc12 97137732 RXVYMRLPELSQSD-UHFFFAOYSA-N 319.368 2.877 0 40 DFAB Cc1c(CNC(=O)Nc2cc(Cl)cc3c2OCC3)cnn1C 97145855 WAJNVFLNDKATSZ-UHFFFAOYSA-N 320.780 2.639 0 40 DFAB Cn1cc(CNc2cccc(-c3ccc4c(c3)OCCO4)n2)cn1 97147956 IJIABDVESKPCHS-UHFFFAOYSA-N 322.368 2.865 0 40 DFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 72343427 IWMNZSQNIHSCAW-FQEVSTJZSA-N 308.425 2.964 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)Cn2ccnc2)s1 72563745 PCBFRHTZIIUJRZ-QMMMGPOBSA-N 315.345 2.673 0 40 DFAB OCc1c(Br)cccc1I 97437806 YREASIOSHRQECL-UHFFFAOYSA-N 312.932 2.546 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1ccccc1C(=O)c1ccccc1 84519324 RZWWHKGKSXVQCD-UHFFFAOYSA-N 318.332 2.858 0 40 DFAB C[C@H](NC(=O)CSc1ccncc1)[C@@H](O)c1ccc(F)cc1 95430045 CEESVTHEBBSTKK-MEDUHNTESA-N 320.389 2.551 0 40 DFAB CCOC(=O)c1ccc(NCc2cccc(OC)c2OC)cn1 95464185 HJUMTDRUIJDJAI-UHFFFAOYSA-N 316.357 2.888 0 40 DFAB COC[C@H](NCCC(=O)Nc1cccc(Cl)c1C)C1CC1 95421511 VNMMNTRATYAPCN-HNNXBMFYSA-N 310.825 2.992 0 40 DFAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1occc1=O 95444414 QQOIWKFDFAINDB-MRVPVSSYSA-N 300.236 2.660 0 40 DFAB COc1cccc2cc([C@@H](C)Nc3cncc(C(N)=O)n3)oc12 95408528 IEHXZVZLNLFQKF-SECBINFHSA-N 312.329 2.503 0 40 DFAB CC(C)c1cc(C(=O)Nc2n[nH]c3cccc(F)c23)n(C)n1 95963024 DYLSGXDHESRAME-UHFFFAOYSA-N 301.325 2.811 0 40 DFAB COc1ncccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 89420714 KZETZJPTJHEWQJ-QWHCGFSZSA-N 318.323 2.788 0 40 DFAB COc1ccccc1C[C@H]1CCCN1c1ncnc2[nH]cnc12 75094114 SAGXHBCIVFWFKF-CYBMUJFWSA-N 309.373 2.573 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C2CC2)on1 75130232 WDDSHBUFQQNSJW-CQSZACIVSA-N 314.389 2.880 0 40 DFAB O=C1C[C@@H](c2nc3ccsc3c(=O)[nH]2)CN1c1ccccc1 89845587 WRWFWESXZKYDLG-SNVBAGLBSA-N 311.366 2.505 0 40 DFAB CCCCCNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 2139645 NJAZJEIWIZRWGK-UHFFFAOYSA-N 314.385 2.573 0 40 DFAB biogenic CN(C)c1ccc(-c2noc([C@@H]3CCCN3CC3CC3)n2)cn1 35426301 BUMKEKPVGHCSSH-AWEZNQCLSA-N 313.405 2.745 0 40 DFAB biogenic,in-vitro CN(C)C(=O)CNC(=O)Nc1cccc(-c2cccs2)c1 78394939 DZWOHPCIABWJGV-UHFFFAOYSA-N 303.387 2.625 0 40 DFAB Cc1ccc(N2CCCC2=O)c(C(=O)OCc2cncs2)c1 122224247 SXDAERLSJUZDPI-UHFFFAOYSA-N 316.382 2.935 0 40 DFAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)OC1CCCCCCC1 78445792 XFALGLNHKHOADE-UHFFFAOYSA-N 317.389 2.530 0 40 DFAB CC(C)c1nnc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)s1 33161564 YXEWTXKDYWXNPI-GFCCVEGCSA-N 316.386 2.793 0 40 DFAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccccc2F)CC1 42016010 MLAMVVQALIXFHT-UHFFFAOYSA-N 324.359 2.664 0 40 DFAB O[C@H](CN[C@@H](c1ccccc1)c1ccncc1)c1ccncc1 195553860 HOPGALFQMUCJKN-MOPGFXCFSA-N 305.381 2.889 0 40 DFAB COC(=O)CCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80345057 VLJGTCLWMZCONO-RYUDHWBXSA-N 316.184 2.776 0 40 DFAB CC[C@H](OC1CCCCC1)C(=O)NC(C)(C)c1cnn(C)c1 195539689 AMLUNAVOWYFFKI-HNNXBMFYSA-N 307.438 2.899 0 40 DFAB COC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225189107 PUUDNHZQTCODOP-LLVKDONJSA-N 318.402 2.590 0 40 DFAB C/C=C/c1cc(C(=O)NC[C@H]2CCCO2)cc(OC)c1OC 44890487 IQKXETDTAUAQEF-YVARQFDVSA-N 305.374 2.646 0 40 DFAB Cc1nc(C[C@H]2CCCN(Cc3cncn3C(C)C)C2)no1 581603850 CFJUEBDDESRBLO-CQSZACIVSA-N 303.410 2.610 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC 95534305 XRYMGAWJJDXTJI-CYBMUJFWSA-N 304.394 2.558 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccccn3)C[C@H]12 96100380 WSNXICDFMOEBDU-VQTJNVASSA-N 307.441 2.929 0 40 DFAB C[C@H](C(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccccc1 97097241 XIWKXVLINYMZNR-VIFPVBQESA-N 304.296 2.806 0 40 DFAB CC(C)[C@H](CCO)NC(=O)Nc1cc(F)ccc1-n1cccn1 96434716 KGYMITGYTGCBIS-ZDUSSCGKSA-N 320.368 2.540 0 40 DFAB CCOC[C@H]1CN(Cc2csc(C)n2)Cc2cnn(CC)c21 96198345 HPMFWVLJRSJXQI-CQSZACIVSA-N 320.462 2.804 0 40 DFAB FC(F)COc1ccc(-c2nc(-c3ccncc3)no2)cn1 96485565 ROMGQNZXAXFQIA-UHFFFAOYSA-N 304.256 2.838 0 40 DFAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)c1 1595129937 IJDWXFVMFOWGIT-WXHSDQCUSA-N 309.312 2.934 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)N(C)Cc1cccn1C 96473398 PMBLRIGCHGAJBX-UHFFFAOYSA-N 316.405 2.549 0 40 DFAB O=C(C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 245343981 WTDDJAWXUYWUJS-UIBIWLFHSA-N 313.397 2.818 0 40 DFAB Cc1cc(S(N)(=O)=O)sc1-c1ccc(OC2CC2)cc1 527588585 LRUQEAOTSSUZND-UHFFFAOYSA-N 309.412 2.912 0 40 DFAB O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1c(F)ccc(O)c1F 252488935 JCGZFNAWTXDUCS-CKUKBARFSA-N 301.292 2.739 0 40 DFAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCNC2)n1 257200313 ACVRCOMLMBIVPG-GFCCVEGCSA-N 300.381 2.816 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4ccncn4)C3)cc2[nH]1 257260752 LEECBIKSKBQTRV-AWEZNQCLSA-N 321.384 2.681 0 40 DFAB Nc1cc(CC[C@H]2CN(Cc3cccs3)CCO2)ccn1 257313164 URGCFEWMJFZCGV-AWEZNQCLSA-N 303.431 2.559 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cc(C(C)=O)cs2)c1O 390835143 DOSHAZQOJKWIEM-UHFFFAOYSA-N 319.338 2.695 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1cnc(CC2CC2)nc1 564554812 QLBMKSNZRKHIBD-HNNXBMFYSA-N 318.421 2.708 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cnco2)[C@H]1Cc1ccccc1F 585275041 UQNDHNTVBVHCQU-GJZGRUSLSA-N 318.348 2.676 0 40 DFAB CN(Cc1ccn(-c2ccccc2)n1)[C@@H](C(N)=O)c1ccccc1 53258224 LCFLMJUZAHJLBE-GOSISDBHSA-N 320.396 2.531 0 40 DFAB O=C(NCc1nc(C2CC2)no1)Nc1ccccc1OC(F)F 59337530 RAOLWKYKTYWUMH-UHFFFAOYSA-N 324.287 2.870 0 40 DFAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(C)Cc1ccncc1 65605159 SDJHJGXJQPFXAA-CQSZACIVSA-N 317.433 2.515 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1ccc2c(c1)OCCCO2 66549789 SVWHOWBPZQZWNC-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB CCc1ncnc(N2CCC(c3cnn(CC)c3)CC2)c1F 89280106 ZJEFVSDQFQEKDC-UHFFFAOYSA-N 303.385 2.779 0 40 DFAB O=C(NC[C@](O)(c1cccs1)C1CC1)NC1CCCCC1 75155344 BMWONDFDRZJDHK-MRXNPFEDSA-N 308.447 2.978 0 40 DFAB Cc1cccc(C2(O)CCN(C(=O)c3cccnc3)CC2)c1C 75147888 WMJFTPGGHLFNFV-UHFFFAOYSA-N 310.397 2.822 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCOC2)cc1 98013934 HRWDHORXOMUAKJ-IKGGRYGDSA-N 303.402 2.758 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC(F)(F)CC2)C1 794293162 DWNSVIZJHKAVIW-NSHDSACASA-N 318.364 2.501 0 40 DFAB Cc1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1C 5184223 MYTVSRRPESVGHL-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB CCNC(=S)Nc1sc(C(C)=O)c(C)c1C(=O)OCC 5375173 TYFUVBAXPBTTOS-UHFFFAOYSA-N 314.432 2.742 0 40 DFAB COc1cccc2c(O)c(C(=O)NCCc3ccccc3)cnc12 12498441 QYNPCIBDCSQXFS-UHFFFAOYSA-N 322.364 2.922 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccccc1 15555095 JXYMTFPPHOLFHK-VQHVLOKHSA-N 311.337 2.624 0 40 DFAB Oc1cc(-c2cnccn2)nc2c(-c3ccc(F)cc3)cnn12 19336861 JNUYJJPSDDWOCQ-UHFFFAOYSA-N 307.288 2.698 0 40 DFAB COC(=O)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C 19817035 GMPFSKKPTVXMOO-UHFFFAOYSA-N 302.721 2.540 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 13404029 IKKJQIKBVARFRQ-LZWOXQAQSA-N 300.402 2.605 0 40 DFAB COC1(CC(=O)N2CCC([C@H]3CCCCN3C)CC2)CCC1 1614927220 BEPASALZTVYBDG-MRXNPFEDSA-N 308.466 2.669 0 40 DFAB CC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 9037237 UVAKIBBMYHSESK-UHFFFAOYSA-N 300.383 2.905 0 40 DFAB Cc1nc2ccccc2n1C1CN(C(=O)c2cc(C3CC3)on2)C1 1775974769 PIBBSTBQJLRGGI-UHFFFAOYSA-N 322.368 2.907 0 40 DFAB Cc1cc2ncc(NC(=O)c3cc(-c4ccco4)on3)cn2n1 206737029 GEAZNPFUBMBZPQ-UHFFFAOYSA-N 309.285 2.538 0 40 DFAB Cc1cc2n(CCNC(=O)Nc3c(F)cccc3F)ccn2n1 225579559 CCZKOEXCNSCDDY-UHFFFAOYSA-N 319.315 2.544 0 40 DFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccccn1 12865503 LISGNXLGMUBRBM-UHFFFAOYSA-N 304.371 2.518 0 40 DFAB COc1ccc(/C=C/C(=O)NCCCN(C)C(C)C)cc1F 40090695 CWQXOHSHEMTPHN-VQHVLOKHSA-N 308.397 2.694 0 40 DFAB COC(=O)C1(NC(=O)c2ccc(F)c(F)c2)CCC(C)CC1 40145935 CZYKVVLJKXJLLR-UHFFFAOYSA-N 311.328 2.817 0 40 DFAB Cc1cc(CN(C)C(=O)C(=O)c2c(C)[nH]c3ccccc23)no1 31115126 SDGKIGJJFWYCNM-UHFFFAOYSA-N 311.341 2.614 0 40 DFAB COc1ccc(C[C@H]2C(=O)Nc3ccccc32)c(OC)c1OC 100793456 USDOFAWAMJYJMW-CYBMUJFWSA-N 313.353 2.991 0 40 DFAB biogenic CN(C)c1cc(CNC(=O)c2ccc(Cl)cc2F)ccn1 40512554 YIGYZSRYIVODQC-UHFFFAOYSA-N 307.756 2.870 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1OC 249134 NYEDLCAORWENDC-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@H]2N 1857795284 CPNKFWQTLWHDPO-LFJLJVMTSA-N 305.462 2.608 0 40 DFAB CC(C)CNC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 8250344 RILBXZMEQQJWEL-JTQLQIEISA-N 308.451 2.743 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 2615935 YDVGJYFZJBEFKO-UHFFFAOYSA-N 307.346 2.507 0 40 DFAB O=C(Nc1ccncc1)c1ccc(I)cc1 327299 ALBRKFATEXHRGM-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@]3(C)CC[C@@H]21 3977849 UHQGCIIQUZBJAE-NQSUBMFWSA-N 302.414 2.883 0 40 DFAB in-vitro CC(=O)O[C@@]1(C(Cl)(Cl)Cl)OC(=O)c2ccccc21 4917542 YEAGDJFGQISHLB-SNVBAGLBSA-N 309.532 2.943 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 41205452 VTGHNXUSQCOZNT-AWEZNQCLSA-N 314.776 2.921 0 40 DFAB CC(C)N1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 100524246 VORSMCHHJRVORT-BQFCYCMXSA-N 317.429 2.710 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1Br 37410450 NAQYUCCGCCODKB-GUOLPTJISA-N 324.174 2.538 0 40 DFAB COc1cccc([C@H](CNC(=O)/C=C/c2ccco2)N(C)C)c1 41800550 DWZVQRLCYYSFJK-FVNWOWOISA-N 314.385 2.721 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(Cl)nc(N)n2)C1 53580455 TUZQRVHTIXASSK-YPMHNXCESA-N 317.824 2.960 0 40 DFAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)CCC(C)C 20151326 DVJVVYUELDKTQT-UHFFFAOYSA-N 308.403 2.942 0 40 DFAB CC(C)CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1 54994676 ZTUJOZUDDCZQCU-CYBMUJFWSA-N 310.467 2.805 0 40 DFAB C1=C2CCO[C@H]3CCN4c5ccccc5[C@]56CCN1[C@@H]5C[C@@H]2[C@@H]3[C@H]46 103834957 SJSSKICDPRUNRW-RNEOQEHVSA-N 320.436 2.914 0 40 DFAB COc1ccc2nc(-n3nc(C)c(C(=O)O)c3C)sc2c1 57351360 WACJQJUMYHDCKL-UHFFFAOYSA-N 303.343 2.806 0 40 DFAB COc1ccc(-c2ccc(OC(=O)c3cccnc3)nn2)cc1 10127768 MDZJKNNMPWPTFH-UHFFFAOYSA-N 307.309 2.766 0 40 DFAB NC(=O)CN(Cc1sccc1Br)C1CCCC1 43511736 PPQJQSFUTVVVES-UHFFFAOYSA-N 317.252 2.741 0 40 DFAB CNC(=O)[C@@H]1CN(CCCc2ccccc2)c2ccccc2O1 25448460 RGAOWXIJBUMDCM-SFHVURJKSA-N 310.397 2.633 0 40 DFAB CCN(C(=O)c1ccc(NC(=O)NC(C)C)cc1)[C@@H](C)COC 56100213 HRTVUPPLCHIDDT-ZDUSSCGKSA-N 321.421 2.714 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 107338130 SCQDDUCEHOVXAR-BYNSBNAKSA-N 322.449 2.938 0 40 DFAB CN(C)C(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 3223651 GUQCFXNDJZBQDL-VBKFSLOCSA-N 312.344 2.685 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(C[C@@H]1CC1(Cl)Cl)C2=O 23220257 AHDKLUSBDWCGIB-HOTUBEGUSA-N 305.205 2.681 0 40 DFAB CCC1(CC)CC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 28916094 BXSTYLCQNCSETE-CYBMUJFWSA-N 309.793 2.939 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1C 28577646 ORRYSEVHSGZXNH-UHFFFAOYSA-N 321.402 2.523 0 40 DFAB Cc1nn(CCC(=O)OCc2cccc(F)c2)c(C)c1C=O 58298082 FDFZFSDJGDNNMO-UHFFFAOYSA-N 304.321 2.585 0 40 DFAB C[C@H](C(=O)NCCc1ccccc1Br)n1ccnc1 58218213 BJUCRAMWXWSGTN-LLVKDONJSA-N 322.206 2.566 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCO[C@H](c2ccccc2)C1 27907394 LKNSHQLJYAIZRS-SFHVURJKSA-N 322.364 2.970 0 40 DFAB Cc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)c(Cl)c1 28270919 QVAUQEVRGAJQSK-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 3371907 AIPXFBGCADYFMV-JSGCOSHPSA-N 304.390 2.719 0 40 DFAB CC(C)[C@@H](C)NC(=O)CSc1nc(CC2CCCC2)n[nH]1 12777592 NPXKUZFPMUCQTK-LLVKDONJSA-N 310.467 2.790 0 40 DFAB COCCOc1ccc([C@@H](C)NC(=O)c2ccoc2)cc1OC 48355559 XUXOSYLQTQHVSK-GFCCVEGCSA-N 319.357 2.804 0 40 DFAB Cc1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 12894033 HRJSPUOBJMKFQP-UHFFFAOYSA-N 303.387 2.621 0 40 DFAB COc1ccc(NC(=O)CN2CCCCCCC2)c(OC)c1 3538904 SYYOPVUEKBBLMV-UHFFFAOYSA-N 306.406 2.908 0 40 DFAB O=C(Cn1cccn1)Nc1ccc(OC(F)F)c(Cl)c1 13003413 RGZKQBWDVUNSDN-UHFFFAOYSA-N 301.680 2.777 0 40 DFAB Cc1nnc2n1CCN(Cc1csc(-c3ccsc3)n1)C2 69487226 KXLGPDUTWRJAMJ-UHFFFAOYSA-N 317.443 2.787 0 40 DFAB C[C@H](c1ccccn1)N(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CC1 63937469 HQZCPGKPBNZORT-UHOFOFEASA-N 310.401 2.671 0 40 DFAB Cc1ccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 22027869 CMMYPCBUNFCECP-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB Cc1cccc(C2(C(=O)NCCc3cnn(C)c3)CCCC2)c1 69535838 SBOFMMYHMAJAMD-UHFFFAOYSA-N 311.429 2.899 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)O 4302315 JBXTXIBJTZOOPH-DFBGVHRSSA-N 304.390 2.863 0 40 DFAB CCCCCC[C@](C)(NC(=O)C1CCOCC1)C(=O)OCC 69622223 DDWSQMRYBZGOGX-KRWDZBQOSA-N 313.438 2.821 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 65591570 QTHFJJLGDOQBET-WFASDCNBSA-N 319.424 2.951 0 40 DFAB Cc1ccoc1C(=O)OCc1nc2sc(C)c(C)c2c(=O)[nH]1 14163336 DPUZBCJNOXFIBQ-UHFFFAOYSA-N 318.354 2.860 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)nc2)cc1 14184524 MFZIIAYNLBRVQN-UHFFFAOYSA-N 300.314 2.519 0 40 DFAB CCCNC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 69896201 PGOPYQVXMOMVBE-UHFFFAOYSA-N 313.283 2.818 0 40 DFAB O=c1[nH]c2ccc(-c3csc(N4CCCCC4)n3)cc2[nH]1 8705303 FHHLQMQKDCUUBZ-UHFFFAOYSA-N 300.387 2.970 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc2oc3ccccc3c2c1 8721165 NJETXMIWMXZONQ-SNVBAGLBSA-N 311.341 2.842 0 40 DFAB COc1ccccc1-c1noc(CSc2cccc[n+]2[O-])n1 7134534 RRBKBHYBFFXOQN-UHFFFAOYSA-N 315.354 2.671 0 40 DFAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCC1 15593188 PPTOOJVAAXJPDI-NSHDSACASA-N 324.421 2.945 0 40 DFAB O=C(CCC(=O)c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 15538778 AFPUSADPYOEGJZ-UHFFFAOYSA-N 315.354 2.519 0 40 DFAB C[C@H](NC(=O)c1cncc(Br)c1)c1cccnc1 15516926 JNMBUNCAVAQQQX-VIFPVBQESA-N 306.163 2.730 0 40 DFAB COc1cc(/C=C/C(=O)Nc2nccs2)cc2c1OCCO2 7210403 CIKJSPMKPLMLMH-NSCUHMNNSA-N 318.354 2.575 0 40 DFAB CC1CCN(C(=O)CSc2nc3ccccc3n2C)CC1 8808351 ASUCROHYHXTDHG-UHFFFAOYSA-N 303.431 2.924 0 40 DFAB c1ccc2c(c1)OC[C@H](CNCc1nc3c(s1)CCC3)O2 93052841 RJMBCYZBSRUNIP-NSHDSACASA-N 302.399 2.561 0 40 DFAB CCc1ccc(C(=O)OCC(=O)NCc2ccccc2F)cc1 8099691 CTAWLJMHTODFNM-UHFFFAOYSA-N 315.344 2.861 0 40 DFAB C[C@@H](C(=O)Nc1cc(Cc2ccccc2)ccc1O)n1cncn1 81459998 LMJASRXRGBLYHR-ZDUSSCGKSA-N 322.368 2.774 0 40 DFAB Cn1cnnc1CN[C@@H](c1ccc(Br)cc1)C1CC1 91284418 SMYFJSQWESYSSU-CQSZACIVSA-N 321.222 2.819 0 40 DFAB CC(=O)NCCOC(=O)c1c(-c2ccccc2Cl)noc1C 9862545 DRHLTSUKNNLEMJ-UHFFFAOYSA-N 322.748 2.596 0 40 DFAB C[C@@H]1CNCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595817 YCENPBIBAVEQEC-PRHODGIISA-N 304.287 2.572 0 40 DFAB COc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccccc2)cc1 19772769 NMBKQRRMMBVZGG-UHFFFAOYSA-N 323.356 2.996 0 40 DFAB COC(=O)c1ccccc1COc1ccc(-n2cncn2)cc1 97085697 PHMGRDQFORIIRP-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1c1cccc(F)c1 96445562 KTGKBNROHXPIKK-SJKOYZFVSA-N 314.360 2.748 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)NC[C@](C)(O)CC)cc1 71875083 GXTCZKDDWFCAGK-OAHLLOKOSA-N 309.366 2.538 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2NCc2c(C)nn(CCO)c2C)cc1C 71837275 BWBJZXIMPYQASF-PKOBYXMFSA-N 313.445 2.755 0 40 DFAB CCO[C@H]1CCCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 71855480 VTJCPGIOKDRBLR-ZDUSSCGKSA-N 306.410 2.807 0 40 DFAB CCc1nnc(CNc2cc(Cl)ccc2N2CCOCC2)o1 71833392 KSWVNBPAKITZPA-UHFFFAOYSA-N 322.796 2.734 0 40 DFAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1nc[nH]n1 72294462 SDILLEHHQAUJSK-LBPRGKRZSA-N 324.837 2.959 0 40 DFAB COc1ccc2cc(NC(=O)c3c(C)cc(C)[nH]c3=O)ccc2n1 75582616 IEYUTIODOUVXEQ-UHFFFAOYSA-N 323.352 2.801 0 40 DFAB C[C@H](CN(C)C(=O)c1ccc(NC=O)cc1)c1nccs1 97108153 OFKQUSBSNRLLKZ-LLVKDONJSA-N 303.387 2.587 0 40 DFAB CCC[C@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC 97164443 YPAOXLHGHKUXDF-SJORKVTESA-N 318.461 2.971 0 40 DFAB CC1(C)CCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 77383146 IRGAZBOSCFWNTA-INIZCTEOSA-N 320.408 2.600 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cscn1 78647156 RCJDYQPBXMMWJK-NSHDSACASA-N 317.197 2.913 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)NCC1(c2ccccc2)CCC1 95411076 FEMUIDIXZBUKMU-INIZCTEOSA-N 302.418 2.521 0 40 DFAB CCCN(C(=O)CCc1nc[nH]n1)[C@@H]1CCc2ccccc2C1 78694441 UTBLYGFHMWQZGC-MRXNPFEDSA-N 312.417 2.533 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)s1 78789782 HKFWPYLZSURGBI-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB Cc1cc(NCc2noc(-c3ccsc3)n2)ccc1C(N)=O 79054911 DHSOHAKTKYNSCA-UHFFFAOYSA-N 314.370 2.818 0 40 DFAB C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccn[nH]2)CC1 95982550 QWMQNSNCOMZUBQ-ZDUSSCGKSA-N 304.825 2.942 0 40 DFAB CN(CC1(O)CCC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 95940300 HMWCDVSHLHGFKI-WDEREUQCSA-N 311.784 2.956 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(F)ccc1F 95980358 MJRKEKXINVKKMC-AWEZNQCLSA-N 321.327 2.518 0 40 DFAB O=C(c1ccccc1-c1ccccc1)N1CC(n2ccnn2)C1 95997935 IRZUIZQMLNMQRZ-UHFFFAOYSA-N 304.353 2.642 0 40 DFAB CC(C)C[C@@](C)(NC(=O)CCc1ccc(Cl)s1)C(N)=O 75136787 KXVXZNFABIOQOK-CQSZACIVSA-N 316.854 2.740 0 40 DFAB CCOC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1 545066 OWTLDMOMHZQGCT-UHFFFAOYSA-N 316.309 2.536 0 40 DFAB biogenic CCOC(=O)c1ccc(N/C=C2\SC(=O)N(CC)C2=O)cc1 36636164 NFACMDQXOKCQPS-XFXZXTDPSA-N 320.370 2.832 0 40 DFAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@H](C)O 72223654 WWRBFORTPAYRAK-ZDUSSCGKSA-N 321.421 2.500 0 40 DFAB CC(C)(C)c1nc(CNCCc2cccc(C(N)=O)c2)cs1 78553600 ZNQLXJUPRQUBRG-UHFFFAOYSA-N 317.458 2.872 0 40 DFAB COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 35758636 JXTIRUDWKAPIKZ-UHFFFAOYSA-N 321.398 2.670 0 40 DFAB CCN(CC)C(=O)c1ccn(COc2ccc(F)cc2F)n1 32647949 LUDBKOYQHXDQDB-UHFFFAOYSA-N 309.316 2.680 0 40 DFAB C[C@@]12CC[C@H](O)[C@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@H]1C[C@@H]2O 123370464 JVYOPHXXWSMLAS-ZYXGFZCVSA-N 306.446 2.930 0 40 DFAB Cc1cc2nc([C@@H]3CCCN(Cc4ccco4)C3)cc(N)n2n1 72339769 NUEVISOXBRSMRS-CYBMUJFWSA-N 311.389 2.593 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2cnn(C)c2C)c(C(C)C)n1 562718102 DCTXXMINZFXISK-UHFFFAOYSA-N 300.406 2.828 0 40 DFAB c1ccc(CN2CCN(c3ccc(-n4cnnc4)cc3)CC2)cc1 72228507 IRHSCQMCYNTSNX-UHFFFAOYSA-N 319.412 2.590 0 40 DFAB O=C1C[C@H](c2noc(-c3ccccn3)n2)CN1c1ccc(F)cc1 44420083 OUXQLJTUEIKERZ-NSHDSACASA-N 324.315 2.791 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@@H]1CCO[C@@H]1C 195577953 ZFJODCGLPKJSEQ-GDBMZVCRSA-N 305.418 2.865 0 40 DFAB CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223112260 XCLSJFVFBRLBSU-PTNGSMBKSA-N 314.410 2.964 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1C)C2 96056824 LKEMQJNJEFRXHR-NVXWUHKLSA-N 307.390 2.636 0 40 DFAB c1cncc(N2CCCC3(CCN(C[C@H]4CCCO4)CC3)C2)c1 96071838 NUNRRTJDYIWMLV-GOSISDBHSA-N 315.461 2.943 0 40 DFAB O=C(NCCn1ccc(C(F)(F)F)n1)Nc1cccs1 96099035 CYOGSQXXTVBTJF-UHFFFAOYSA-N 304.297 2.785 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 96414621 UAUXZSINPATBCR-HNNXBMFYSA-N 306.450 2.818 0 40 DFAB C[C@@H](NS(C)(=O)=O)c1ccc(Oc2cccnc2)c(F)c1 96428216 ZNJNDQSRGDNQIW-SNVBAGLBSA-N 310.350 2.623 0 40 DFAB c1ccc(-c2cnc3n2C[C@H](CNCc2cccnc2)OC3)cc1 96296459 PPNAIDUANXFXQF-KRWDZBQOSA-N 320.396 2.634 0 40 DFAB biogenic,in-vitro O=C(c1ccsc1)N1CCC[C@@]2(CCC(=O)N2CC2CC2)C1 96203187 MLFCVDSYZUQBRA-QGZVFWFLSA-N 318.442 2.755 0 40 DFAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1=CCCCC1 580398765 WGXCUXLLTCYSMJ-GOSISDBHSA-N 312.413 2.576 0 40 DFAB CSCc1cc(C(=O)N2CCc3[nH]ncc3C2)ccc1F 96445229 CPVDZLFFSIBURI-UHFFFAOYSA-N 305.378 2.610 0 40 DFAB CC(C)(C)c1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)no1 96421923 GBGQTHYRFVSCJH-BIMULSAOSA-N 307.394 2.907 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)Cc1nc2c(s1)CCCC2 96447132 MRHVBUZSOJKBFA-UHFFFAOYSA-N 315.442 2.753 0 40 DFAB CC[C@H](OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 253373947 KRRYYKWWKBFUNM-AHCXZYCDSA-N 307.434 2.624 0 40 DFAB C[C@H](CO)N[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 253369779 IBDFXKBOVGHMDY-LERXQTSPSA-N 314.223 2.640 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCC[C@H](O)c1ccoc1 90612914 WDYXDXUNHIBYGC-ZDUSSCGKSA-N 309.749 2.795 0 40 DFAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)c1 681547329 COYZLOADMVTMAU-HNNXBMFYSA-N 312.417 2.506 0 40 DFAB CCN(CC)C(=O)c1cn(-c2ccccc2Br)nn1 48331730 HGIMQKYZIIIJJO-UHFFFAOYSA-N 323.194 2.512 0 40 DFAB Cc1ccccc1-c1noc(=O)n1Cc1nnc(C(C)(C)C)o1 58280118 IHLDVGRXGGGRMB-UHFFFAOYSA-N 314.345 2.541 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 58332051 POUKARZSUBQEPH-KGLIPLIRSA-N 322.836 2.817 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc3ccccc23)cn1 66044286 YYDROYBAYWYFSR-ZWKOTPCHSA-N 305.381 2.993 0 40 DFAB CCC(CC)(CNC(=O)N[C@@H](C)c1nc(C)cs1)N(C)C 69739872 UACMRXSEVDPFKQ-LBPRGKRZSA-N 312.483 2.932 0 40 DFAB Cn1cc([C@@H]2CCCN2C[C@H](O)c2ccc(F)cc2F)cn1 71797199 MZIXJTAUNBGQEB-HOTGVXAUSA-N 307.344 2.569 0 40 DFAB Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)o1 91759524 BVSLACCQPJSEDI-FZMZJTMJSA-N 322.311 2.518 0 40 DFAB O=S(=O)(c1ccccc1NCC1(O)CCCC1)C(F)(F)F 95938941 AXEDIZZLFWRLPX-UHFFFAOYSA-N 323.336 2.697 0 40 DFAB COc1cc(O)c(C(=O)CC(=O)c2ccccc2)c(OC)c1 100501178 RNHMENCCVPUKOB-UHFFFAOYSA-N 300.310 2.865 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCOc3ncccc32)n1 84631227 COBSXYNMUCAJRR-UHFFFAOYSA-N 318.764 2.688 0 40 DFAB COc1ccc(CNC[C@@H]2CCCN(C)C2)c(Cl)c1OC 106367146 AVEAKENYBUAJHN-LBPRGKRZSA-N 312.841 2.789 0 40 DFAB Cn1cccc1CN1CCC[C@H](n2c(=O)oc3ccccc32)C1 12336917 GHBKKTXPFWDZQR-HNNXBMFYSA-N 311.385 2.770 0 40 DFAB CCC(=O)Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 12377878 VDZWYPVSRJYARL-ZIAGYGMSSA-N 301.342 2.682 0 40 DFAB C[C@@H](NC(=O)NC1CCCCC1)c1nc(-c2cccnc2)n[nH]1 13565306 PTASLIXVQUDNEM-LLVKDONJSA-N 314.393 2.560 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)[nH]c(=O)c1C 19555522 PYODHTINYBDJLO-AWEZNQCLSA-N 315.348 2.503 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1C 19736188 MNYNVZJJOXHHSC-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3ccccc32)c1 10752446 KBYXBYIBLFDLHF-KRWDZBQOSA-N 315.394 2.855 0 40 DFAB O=C(Nc1ccccc1F)c1cc(C2CCOCC2)ncn1 1888853009 OULQXFSINACILT-UHFFFAOYSA-N 301.321 2.762 0 40 DFAB Cc1cn2nc(C(=O)NCc3ccccc3Cl)ccc2n1 1888910368 QGUSLYNBYFSMKG-UHFFFAOYSA-N 300.749 2.621 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1cccnc1 32759121 QZPGMKKJIBSXRI-VIFPVBQESA-N 314.769 2.914 0 40 DFAB O=c1c2c(nc3n1CCCS3)O[C@@H](c1ccccc1)CC2 533425 APKVCVYYRAXFJS-CYBMUJFWSA-N 300.383 2.805 0 40 DFAB Cc1nnc2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn12 4377152 VXJJIYJOAZZSGL-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB Oc1ccccc1-c1nnc(S)n1-c1ccc2c(c1)OCO2 4710642 CZTQRVXPCBLBDM-UHFFFAOYSA-N 313.338 2.657 0 40 DFAB O=C1C[C@H](c2nc(-c3ccncc3)no2)CN1Cc1ccccc1 109689351 IQFBIZMMDMLVPK-HNNXBMFYSA-N 320.352 2.648 0 40 DFAB C[C@H](CNC(=O)c1csc(-c2ccco2)n1)N1CCCC1 40092396 HQIZKZPUOMACGJ-LLVKDONJSA-N 305.403 2.617 0 40 DFAB COc1cc(-c2nnc(-c3cccnc3)o2)cc(OC)c1OC 177557 VWLPXHQMNOMKAX-UHFFFAOYSA-N 313.313 2.824 0 40 DFAB O=C(c1ccn(C(=O)c2ccc(Cl)cc2)n1)N1CCCCC1 208017 FVSFWKUMHBGKEC-UHFFFAOYSA-N 317.776 2.851 0 40 DFAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(C)o1)c1ccccc1 29270930 FEWLUULEBZKTLN-KRWDZBQOSA-N 314.385 2.814 0 40 DFAB CC[C@@H](C)NC(=O)c1ccccc1I 581849 DKLUEMFLAYVLHU-MRVPVSSYSA-N 303.143 2.820 0 40 DFAB COc1ccc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc1F 69739765 GEQFZQAZIXUZQP-DLBZAZTESA-N 320.408 2.810 0 40 DFAB CCOC(=O)c1cc(NC(=O)Nc2cccnc2)c(C)nc1C 8338004 SCDFFJWVVMAXJI-UHFFFAOYSA-N 314.345 2.914 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1 342815 ULIGECURQQTWQX-QGZVFWFLSA-N 322.408 2.918 0 40 DFAB COCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4341925 IGRBYNXDDPWEFT-UHFFFAOYSA-N 323.805 2.857 0 40 DFAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(C)o1 4943084 SFDAHQWGNVZKFW-UHFFFAOYSA-N 315.402 2.873 0 40 DFAB CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCCC1 41264745 DNOBYJATMILVPI-KRWDZBQOSA-N 316.445 2.773 0 40 DFAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCCO 102733235 HROLMULVINJIDZ-UHFFFAOYSA-N 315.398 2.754 0 40 DFAB Cc1ccsc1CN(C)C(=O)NCCN1CCCCCC1=O 47084536 LGRWJPRTESTSPA-UHFFFAOYSA-N 323.462 2.601 0 40 DFAB CCC(=O)Nc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 9064128 QGIZFQMBAJGMJC-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB Cn1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1=O 53769028 XXFWVVFOWGGTGJ-UHFFFAOYSA-N 307.325 2.832 0 40 DFAB CC(C)CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 69418972 APTVQMGTQFLDPK-UHFFFAOYSA-N 317.477 2.983 0 40 DFAB C[C@H](C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)n1cncn1 69456941 IGBIXOVEAXDPAO-IRUJWGPZSA-N 324.306 2.530 0 40 DFAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 23744291 CGPQFNBEBSWYTD-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccc(C)cc2)c1 24501070 HGRMKTYNEYXGHP-UHFFFAOYSA-N 300.358 2.677 0 40 DFAB O=C(OCc1nnsc1Cl)C1=Cc2ccccc2OC1 25059706 TZXYMFQZPJGOAF-UHFFFAOYSA-N 308.746 2.711 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCc2cccc(C(N)=O)c2)C1(C)C 25333990 UIJJIGGCVMQFTF-LSDHHAIUSA-N 300.402 2.640 0 40 DFAB CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)cc1 3248036 PCTVRHUKEDNDHW-UHFFFAOYSA-N 315.325 2.624 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1 58264325 LZPKRCOWMIZGRW-LBPRGKRZSA-N 308.378 2.522 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58342565 PYACPWQSFZDLKI-GXTWGEPZSA-N 306.369 2.693 0 40 DFAB Cc1cnc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)s1 10624462 VUGMZDBPQHMQAW-NSHDSACASA-N 323.443 2.906 0 40 DFAB COC(=O)c1ccc(NCC(=O)Nc2cccc(F)c2)c(C)c1 12730773 RLTRVUCJAAYQTI-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB C[C@H](NC(=O)COC(=O)Cc1ccccc1F)c1ccccc1 3425388 JPVOIHGMZUMAFW-ZDUSSCGKSA-N 315.344 2.789 0 40 DFAB Cc1ccccc1CNC(=O)NC[C@H]1COc2ccccc2O1 12935387 ZCPOFDVAYDPDHF-HNNXBMFYSA-N 312.369 2.634 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)cc1Cl 13167423 CGJBEZQLYGXBHE-SNAWJCMRSA-N 307.777 2.985 0 40 DFAB CCc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 13300070 JJPWZHMQJPOZQM-UHFFFAOYSA-N 311.384 2.810 0 40 DFAB CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccon2)C1=O 69820261 FSDUGSXPYXIUHA-KRWDZBQOSA-N 313.357 2.812 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3ccsc3)CC2)cs1 69951291 ILCCNRQNRWOUDF-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1ccc(OCc2ccncc2)cc1 69973653 UVLGURLRCGYTJS-AWEZNQCLSA-N 315.373 2.553 0 40 DFAB CC(C)(C)OC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 65593543 KOQFWWRGZZAVRA-AWEZNQCLSA-N 320.389 2.829 0 40 DFAB Cc1ccc2nc(-c3ccc(NS(C)(=O)=O)cc3)cn2c1 8725004 PEWTVVKACAMFLA-UHFFFAOYSA-N 301.371 2.681 0 40 DFAB Cc1ncsc1C(=O)N(C)C[C@@H]1OCCc2ccccc21 65608836 PRPCEBDHZKRYGR-AWEZNQCLSA-N 302.399 2.838 0 40 DFAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)cc1 5451694 BWNJCEOMUGIEJI-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB Cc1ccc(Nc2nnc(SCC(=O)N(C)C)s2)cc1 6510726 WHVBKUFIUOEDJG-UHFFFAOYSA-N 308.432 2.770 0 40 DFAB COC(=O)c1ccccc1NCC(=O)Nc1ccccc1OC 8747315 RRYDZCJXIKSDIB-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB COc1cc2c(cc1OC)[C@@]1(C)CC(C)(C)NC(=S)N1CC2 6782473 BHMVZMUIRGDLHV-QGZVFWFLSA-N 320.458 2.834 0 40 DFAB biogenic CC(C)NC(=O)CCN1CCC[C@@H]1c1cccc2c1OCCO2 66899201 FVOUZSNTPXDSGO-OAHLLOKOSA-N 318.417 2.509 0 40 DFAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(N)s2)cc1 7534500 ZJERTIHWJLNDJJ-QMMMGPOBSA-N 308.432 2.802 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1c(C)cc(C)[nH]c1=O 8941175 CDLLQTVEBDULJT-UHFFFAOYSA-N 306.749 2.906 0 40 DFAB CCCn1nc(C(=O)N[C@H](C)c2ccccc2Cl)ccc1=O 7782019 RRJSQTLGNBVKEZ-LLVKDONJSA-N 319.792 2.798 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NC1CC1 8077234 LPNOAYRTFLOFGC-UHFFFAOYSA-N 301.415 2.860 0 40 DFAB CC(C)c1ccccc1NC(=O)COc1nnc2ccccn12 8224869 ISZDIVHHLSKFTL-UHFFFAOYSA-N 310.357 2.870 0 40 DFAB COc1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccccc1 9450607 RRGONGCWSNGYHD-INIZCTEOSA-N 312.369 2.901 0 40 DFAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccncc1 113951534 WUPHBBLMNLSQEU-INIZCTEOSA-N 300.358 2.564 0 40 DFAB O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ncccn2)C1 9575276 UHDVFWDGXWLECC-HNNXBMFYSA-N 316.449 2.922 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccccc1F 71858951 YZMHTKQBEVYBBB-MCMMXHMISA-N 319.401 2.779 0 40 DFAB Cn1nnc2cc(C(=O)N3CCC[C@@H]3Cc3ccccc3)ccc21 71847321 CGQIYACRMDDXEG-MRXNPFEDSA-N 320.396 2.816 0 40 DFAB CCN(C)C(=O)NCCc1cc(Br)ccc1F 71892313 NBKUYDKBNXKDND-UHFFFAOYSA-N 303.175 2.792 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c(F)cccc2s1 71829846 FWNSLFUFNYZBRR-UWVGGRQHSA-N 320.389 2.766 0 40 DFAB C[C@H]1CCNC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595810 MBYPFHDEGGLQLS-QPUJVOFHSA-N 304.287 2.572 0 40 DFAB Cc1cc(C)n(C[C@H](C)NC(=O)CO[C@@H]2CCCC[C@@H]2C)n1 71903808 CWXRTDOLHWOITP-DUVNUKRYSA-N 307.438 2.600 0 40 DFAB COC(=O)C1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 97084233 QLTRIMPSWOYVPG-UHFFFAOYSA-N 309.793 2.660 0 40 DFAB CC1(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CCCCCC1 97058480 OXDRDWGKNKNJBS-AWEZNQCLSA-N 321.465 2.657 0 40 DFAB O=C1CCCN1C[C@H]1CCCCN1C(=O)NC1CCCCC1 72278013 OVXFXFYVMHIBJW-OAHLLOKOSA-N 307.438 2.506 0 40 DFAB Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@@H]1O 72298286 LXJUTYHURCOESE-GWCFXTLKSA-N 312.207 2.648 0 40 DFAB C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@@H](c2ccccc2)O1 72289545 NHJUZFSUSHQRSR-FHLIZLRMSA-N 311.381 2.709 0 40 DFAB NC(=O)[C@@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1 97146896 OAIBBDVDUFTPEL-HNNXBMFYSA-N 312.300 2.528 0 40 DFAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccc2cc[nH]c2c1 72405839 CCJMUBLWTYELQM-INIZCTEOSA-N 305.337 2.981 0 40 DFAB CC(=O)c1ccc(F)cc1NC(=O)c1cc(-n2cccn2)ccn1 97372656 FYUVSWHNWXZHPC-UHFFFAOYSA-N 324.315 2.861 0 40 DFAB Cc1ccc(C)c([C@H](O)CN(C)Cc2cccc(C(N)=O)c2)c1 76089488 MRQUGIHLRBUSNL-GOSISDBHSA-N 312.413 2.568 0 40 DFAB COC(=O)CCCCCNC(=O)c1cc2c(F)ccc(F)c2[nH]1 95398136 RBWWXHZOGRXJKX-UHFFFAOYSA-N 324.327 2.909 0 40 DFAB C[C@@H](NCc1csc(C2CC2)n1)c1nnc2n1CCCC2 84668016 OQFVRBGRIHAADN-SNVBAGLBSA-N 303.435 2.799 0 40 DFAB CC1(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CCCC1 95426152 GNJBRCCWHKEXIX-XJKSGUPXSA-N 312.479 2.921 0 40 DFAB C[S@](=O)CCNC(=O)c1cc(-c2ccccn2)ccc1Cl 95437499 GXANGDVSCXJFRE-OAQYLSRUSA-N 322.817 2.510 0 40 DFAB C[C@@H](c1cccs1)N(C)C(=O)[C@H](C)n1nnnc1C(C)(C)C 95465178 XWCKRQAEJZGIGX-QWRGUYRKSA-N 321.450 2.813 0 40 DFAB Cc1cc(C[S@@](=O)CCCC(=O)N(C)C)c2ccccc2n1 95413698 PWJIZIDEZMASTE-JOCHJYFZSA-N 318.442 2.660 0 40 DFAB O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@H]1c1ccccc1 78913325 GJGJTSBNFVJJHT-MRXNPFEDSA-N 321.380 2.693 0 40 DFAB Cn1cnnc1CN1CCC[C@@H](COc2ccccc2Cl)C1 95973836 PDFYEAGQIKOXPM-CYBMUJFWSA-N 320.824 2.760 0 40 DFAB 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317.345 2.695 0 40 DFAB NC(=O)c1ccc(CSc2nc(-c3ccccc3)cn2N)cc1 16804282 SZXLVGMOAZUKHG-UHFFFAOYSA-N 324.409 2.655 0 40 DFAB Cc1noc(C)c1NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 66767576 IOXNLJXGCJYDTD-AWAWDMARSA-N 319.405 2.657 0 40 DFAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@@H]1C[C@@H]1c1ccccc1 69388649 XDHXWYMCTUBUML-HUUCEWRRSA-N 321.336 2.772 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)C(C)(C)c1ccccc1F 69536831 YETSKTLPWMZUTK-UHFFFAOYSA-N 322.424 2.868 0 40 DFAB Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)o1 91759517 BVSLACCQPJSEDI-SMDDNHRTSA-N 322.311 2.518 0 40 DFAB CCOc1cccc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1 92078595 WDSKRJQHCXIIFF-MRXNPFEDSA-N 318.461 2.770 0 40 DFAB Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)c(C)s1 69946719 WTMKTZJVMYHGMS-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CC[C@@H](Cc1ccccc1)OC(=O)C1CCN(C(C)=O)CC1 78948743 FMIHYHPPLNEJKX-KRWDZBQOSA-N 303.402 2.809 0 40 DFAB O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[C@H]1CCCCO1 97080049 DAFKBSUDEWLSPE-HUUCEWRRSA-N 311.809 2.839 0 40 DFAB 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UWTDWBSMYLQDBF-CQSZACIVSA-N 308.472 2.723 0 40 DFAB CCc1ncc(CN(C)C(=O)c2cc(F)c(O)c(F)c2)s1 97377416 CMWLVRAMFYLMQX-UHFFFAOYSA-N 312.341 2.962 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H]2CCCOc3cc(C)ccc32)C1 95423876 UXPOAKKVTBATGC-HOCLYGCPSA-N 302.418 2.809 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccco1 95953179 UZNYDGHMBKGJOW-SECBINFHSA-N 314.370 2.993 0 40 DFAB Cc1ncccc1NC(=O)C(=O)NCC1CCC(C)(C)CC1 95976132 QOCZXLKEJGBFPI-UHFFFAOYSA-N 303.406 2.661 0 40 DFAB O=C1[C@@H](NCc2csc(C3CC3)n2)CCN1c1ccccc1 95959248 GARSPUXTRWVIHW-HNNXBMFYSA-N 313.426 2.916 0 40 DFAB CCc1ccc(C(=O)N2CC[C@H](OCc3cccnc3)C2)o1 75105291 KDTXYCLLVUNYEN-HNNXBMFYSA-N 300.358 2.668 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)[nH]c1=O 75118286 HFFQEZPXSZVALH-CYBMUJFWSA-N 302.399 2.894 0 40 DFAB CC(C)(C)OC[C@H](O)CN1CCC(Nc2ccccc2F)CC1 89694305 VBCOKHFVJVBJGG-OAHLLOKOSA-N 324.440 2.878 0 40 DFAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cc(C2CC2)on1 211117758 QWERXKGWNONQAX-HNNXBMFYSA-N 311.385 2.951 0 40 DFAB CCN1c2ccccc2C2=NN3C(=NN21)c1ccccc1N3CC 3847056 HHFKWBFLKOIHIX-UHFFFAOYSA-N 318.384 2.837 0 40 DFAB biogenic Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCSCC[C@@H]1C 189292915 ALMAQCGIVSLHJZ-RYUDHWBXSA-N 324.494 2.505 0 40 DFAB CCN1CCN(c2ncc(C(=O)c3ccccc3)cc2C)CC1 72222584 VMYXIERWMSHHQM-UHFFFAOYSA-N 309.413 2.763 0 40 DFAB Cc1cc(N(C)C)ncc1C(=O)CCCNC(=O)OC(C)(C)C 72218664 QTYYMMMCCZMYIT-UHFFFAOYSA-N 321.421 2.944 0 40 DFAB CN1C(=O)[C@@H](C(=O)O)[C@H]2C[C@@]1(c1ccccc1)Oc1ccccc12 138539669 DVGVIPQIDVPUIW-QOKNQOGYSA-N 323.348 2.579 0 40 DFAB Cn1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cn1 84263371 QKZSBEOQMLPZIK-UHFFFAOYSA-N 310.184 2.925 0 40 DFAB CSc1nnc(NC(=O)COc2ccc(C)cc2C)s1 40988312 PWPOIIUSBUOWNT-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB CCN(C(=O)Cn1c(C=O)nc2ccccc21)c1ccccc1 41058266 UQRDWSDAURJMMN-UHFFFAOYSA-N 307.353 2.902 0 40 DFAB Cc1nc(CN2C(=O)N(C)C3(CCCCC3)C2=O)sc1C 88509766 ZZTXFBYIRUOVMG-UHFFFAOYSA-N 307.419 2.857 0 40 DFAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 42646712 NFTDBOWLSDUEEG-UHFFFAOYSA-N 320.433 2.854 0 40 DFAB CCOC(=O)c1csc([C@H]2CCCN2Cc2ccon2)n1 191450587 FALWQZGIVKCFIC-GFCCVEGCSA-N 307.375 2.645 0 40 DFAB Cc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1C 81996448 MWTNRDFSFMEGMD-UHFFFAOYSA-N 318.461 2.923 0 40 DFAB COc1ccc(CC[S@](=O)Cc2cn3ccccc3n2)cc1 195579403 GCYCWMWYDXXHAF-QFIPXVFZSA-N 314.410 2.834 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1ccon1 226851673 OTBRWJLTBBJSRD-GFCCVEGCSA-N 312.329 2.575 0 40 DFAB Cc1cc(C)nc(N2CCC(c3nncn3C(C)C)CC2)n1 195553187 NNBHCJYFHWVTTR-UHFFFAOYSA-N 300.410 2.650 0 40 DFAB c1ccc(NCc2cnc3n2CCN(Cc2ccco2)CC3)nc1 96197102 SZXOXEJVIHOXFA-UHFFFAOYSA-N 323.400 2.542 0 40 DFAB CN(c1nccs1)S(=O)(=O)c1cc(F)ccc1Cl 96433502 XJRVTYMQYJRRQM-UHFFFAOYSA-N 306.771 2.761 0 40 DFAB C[C@@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)n1ccnc1 579362854 VBWAIWAHNKQBJF-YJBOKZPZSA-N 313.401 2.608 0 40 DFAB Cn1nncc1CNc1ncc(Cc2ccccc2F)s1 97375422 HKPOVBWIHGSAIS-UHFFFAOYSA-N 303.366 2.614 0 40 DFAB CC(C)CNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244449186 ZARQOXQFIFQKFT-UHFFFAOYSA-N 322.836 2.964 0 40 DFAB Cc1nccc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 257309603 UBOSDNDINDEVLS-ZDUSSCGKSA-N 316.430 2.878 0 40 DFAB NCc1cccc(-c2cccnc2C(=O)NCc2ccco2)c1 257259751 KZVLOMVLGXEMTO-UHFFFAOYSA-N 307.353 2.730 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)[C@@H]3CCCOC3)CC2)s1 257324537 WPEKWWKVXDCEBA-CYBMUJFWSA-N 308.447 2.758 0 40 DFAB CC1(C)OC(=O)c2c1ccnc2N1CCC[C@H](c2ncc[nH]2)C1 364903252 DSNRVFNJPKHLFH-NSHDSACASA-N 312.373 2.594 0 40 DFAB Cc1ccccc1O[C@@H]1CCC[C@H](NCC2CCOCC2)[C@H]1O 585289674 UQLHBBHPZGUBDN-QXAKKESOSA-N 319.445 2.672 0 40 DFAB CN1CCN(c2cc(C(F)(F)F)c3cccc(O)c3n2)CC1 685938290 PBNXLSMKQAAUNG-UHFFFAOYSA-N 311.307 2.711 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)NC[C@@H](C)N(C)c1ccccc1 46951450 NHVLRLSDTSXAGF-VXGBXAGGSA-N 318.339 2.595 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1cc2cc(C)ccc2nc1C 49743816 LYWFITDVRQNLKK-UHFFFAOYSA-N 313.401 2.579 0 40 DFAB Cc1nc2ccccc2c(=O)n1C[C@H](O)c1cc(F)ccc1F 51319352 GTVAJCJGIHESLW-INIZCTEOSA-N 316.307 2.717 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1Cl 71857644 MFUZKAULMHIOSK-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CC[C@@]2(CCOC2)C1 108102395 YKIULWAHHNLKIO-FRFSOERESA-N 322.355 2.643 0 40 DFAB O=C(c1cncc(Br)c1)N1CCC[C@@H](CF)C1 711451661 KTUXHRSMSWZESX-VIFPVBQESA-N 301.159 2.666 0 40 DFAB O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccccn1 5005459 ZEEUQZHCENOLEN-NRFANRHFSA-N 314.288 2.961 0 40 DFAB C[C@@H]1[C@@H](O)Oc2cc3c(cc2[C@@H]1c1ccccc1O)OCO3 5276305 NCLNBERWMRBQDE-QUEBZJCTSA-N 300.310 2.600 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 5625737 UHULWDURCACYGK-JSGCOSHPSA-N 313.401 2.551 0 40 DFAB O=C1N[C@H]2CCCCN2Cc2sc(Br)cc21 13120714 RYTGMKKRMGHENS-SNVBAGLBSA-N 301.209 2.566 0 40 DFAB Cc1ccc(C2(CN3CCN(C[C@H]4CCOC4)CC3)CC2)cc1 19208406 BGAVAXFUUXJVIM-GOSISDBHSA-N 314.473 2.681 0 40 DFAB CC1CCN(C2CCN(C[C@@H](O)c3cccs3)CC2)CC1 19496845 ZWBLXKQDBBXOLU-MRXNPFEDSA-N 308.491 2.978 0 40 DFAB CC(=O)N(/C=C/c1nnnn1-c1ccccc1)c1ccc(C)cc1 4371173 WBKWCUKRZHSVCP-OUKQBFOZSA-N 319.368 2.995 0 40 DFAB COC(=O)c1c(C)cccc1NCC(=O)Nc1ccccc1F 9117659 ZPTOMIRGRBRZHP-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB Cc1nnc(CN2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)o1 1888834042 SUJYOBCQIACRIE-RYUDHWBXSA-N 307.785 2.596 0 40 DFAB CCc1cc2c(=O)n(C[C@H](O)c3ccccc3F)cnc2s1 28914978 GXWXNVVPWGIXFZ-AWEZNQCLSA-N 318.373 2.893 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)on1 32282347 FZXDNESDNWXSKZ-LLVKDONJSA-N 302.330 2.635 0 40 DFAB O=C(COc1ccc(Cl)cc1C(=O)O)NCc1ccccc1 13083490 BLCOBCXKDCSYIQ-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB O=C(Cc1cccs1)Nc1nnc(Cc2cccs2)o1 13653572 WAVQOWWOMPVDKW-UHFFFAOYSA-N 305.384 2.965 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@H]4CC=CC[C@H]4C3)C2=O)cc1 15080400 JIMBEDXEMSUMGM-UXLLHSPISA-N 310.397 2.525 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCCN(c2nc3cnccc3s2)C1 2298182288 ZAEMLCOPKFYPFT-NSHDSACASA-N 318.446 2.822 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CCO1 30853601 AKBLNDNUCAAJTR-GFCCVEGCSA-N 305.403 2.698 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 20219918 DBRVGIBMVLSPJE-MRXNPFEDSA-N 314.429 2.826 0 40 DFAB C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccncc1 40461202 FGCLYYHCEYZYQZ-CYBMUJFWSA-N 317.433 2.544 0 40 DFAB O=c1cc(CN(Cc2ccc(F)cc2)C2CC2)nc2ccccn12 40466287 VDYJDDXKYKDTPA-UHFFFAOYSA-N 323.371 2.998 0 40 DFAB CC[C@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O 207540 NSJGSGOFYGSHNI-GFCCVEGCSA-N 301.346 2.702 0 40 DFAB Cc1csc(CNC(=O)c2cc3c(C)nn(C)c3s2)n1 29246433 PAABFKPMQMANCI-UHFFFAOYSA-N 306.416 2.638 0 40 DFAB O[C@@H](CSc1ncnc2nc[nH]c12)c1ccc(Cl)cc1 2503738 YDYPCRKXHRPFFW-JTQLQIEISA-N 306.778 2.832 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCc1cccc(Cl)c1 376470 OLXZZHLNFZGPRY-NEBZKDRISA-N 319.788 2.522 0 40 DFAB Cc1cnn(C2CN([C@H](C)c3nnc(-c4ccccc4)o3)C2)c1 69592246 AUPKUDUVZAMGLF-CYBMUJFWSA-N 309.373 2.859 0 40 DFAB CNC(=O)c1cccc(NC(=O)NCCOCCC(C)C)c1C 69521370 CXOUQLMDSPCEKL-UHFFFAOYSA-N 321.421 2.539 0 40 DFAB O=C(NCc1ccccc1)NCc1ccc(N2CCCC2)nc1 32779583 GGYBJDQISRMWTR-UHFFFAOYSA-N 310.401 2.681 0 40 DFAB CCc1ccccc1N1C[C@H](C(=O)Nc2nccs2)CC1=O 4385102 RETIZVHSXBUTNJ-GFCCVEGCSA-N 315.398 2.697 0 40 DFAB CN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 17334066 YSFNUILCDGSJNV-UHFFFAOYSA-N 317.410 2.503 0 40 DFAB C[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc(Cl)s1 46597995 HFXHISRACHILRE-VIFPVBQESA-N 312.826 2.738 0 40 DFAB COc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1 530179 SHTMRTXKDHPRFU-UHFFFAOYSA-N 323.381 2.707 0 40 DFAB COc1cccc(CC(=O)Nc2ccccc2C(=O)NC2CC2)c1 16015655 WUZJSYWGFIURHB-UHFFFAOYSA-N 324.380 2.769 0 40 DFAB COc1cc(CN[C@H](C)c2cccnc2)cc2c1OCCO2 22792684 VMQAEQLDMNERQY-GFCCVEGCSA-N 300.358 2.712 0 40 DFAB COC(=O)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 54272643 OPRYOJVLNAETMJ-MRXNPFEDSA-N 324.336 2.929 0 40 DFAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccnc(-n2cncn2)c1 54673495 FTDCXJXHYSBTKH-KRWDZBQOSA-N 319.368 2.543 0 40 DFAB C[C@H](NC(=O)c1cn2cccnc2n1)c1cc2ccccc2o1 47519491 HCAKODNYQCYQOZ-NSHDSACASA-N 306.325 2.967 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)Nc2ccccc2)cc1 24747263 SWGRKYPNZHZEML-UHFFFAOYSA-N 313.357 2.846 0 40 DFAB C[C@H](NC(=O)c1cccs1)c1ccccc1NS(C)(=O)=O 43283855 ISSOXRWRLLIUCH-JTQLQIEISA-N 324.427 2.611 0 40 DFAB COc1cc(NC(=O)Nc2cc(C)on2)ccc1NC(C)=O 56324675 JSEJNOUTGKLRAL-UHFFFAOYSA-N 304.306 2.594 0 40 DFAB Cc1nc(CN2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cs1 100773441 LXUWNUQTLTYHKS-HUUCEWRRSA-N 319.474 2.532 0 40 DFAB C[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)[C@H](C)CN1C 108368343 ARZMDVXDVDBAFM-UONOGXRCSA-N 323.444 2.556 0 40 DFAB CSc1cc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccn1 108382211 KNPPYMHGDLRRMB-JSGCOSHPSA-N 320.462 2.752 0 40 DFAB O=C(NCC1(Sc2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@H]1O2 110681346 UQFCHHFNJKSFEJ-VHDGCEQUSA-N 318.442 2.930 0 40 DFAB C[C@H](NC(=O)[C@@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 58018704 ALVWOONLIMKRNJ-NWDGAFQWSA-N 324.384 2.534 0 40 DFAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 12615920 RQFFQVRYKACOII-UHFFFAOYSA-N 310.397 2.966 0 40 DFAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cc[nH]n1 48289512 OOHCTRDYSIOIAF-UHFFFAOYSA-N 308.721 2.581 0 40 DFAB COc1ccnc(NC[C@H](c2c(F)cccc2Cl)N(C)C)n1 12727323 LOKBEYYGMWCTDK-GFCCVEGCSA-N 324.787 2.993 0 40 DFAB O=C(O)CCSC[C@@H](O)COc1ccc2ccccc2c1 12743222 IXXMWRBSHFZZMW-AWEZNQCLSA-N 306.383 2.787 0 40 DFAB Cn1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cn1 8546883 AJXAVXFRRVIWQI-UHFFFAOYSA-N 313.140 2.767 0 40 DFAB CCc1ncc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)s1 49158050 HMSUNFZXMSPKIB-UHFFFAOYSA-N 309.778 2.710 0 40 DFAB Cc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69813671 JSWBVYGBZMUMLL-LLVKDONJSA-N 323.368 2.738 0 40 DFAB Cn1cc([C@@H]2CCCCN2c2nccc(C(F)(F)F)n2)cn1 346122961 TXHJQVXTLLZMEL-NSHDSACASA-N 311.311 2.961 0 40 DFAB CCCN(C)c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 69256113 LWHZVCIDOJZXNO-UHFFFAOYSA-N 300.406 2.539 0 40 DFAB Cc1ccccc1-c1nnn(Cc2noc(-c3cccs3)n2)n1 65538089 JTKROMLSVQXIPE-UHFFFAOYSA-N 324.369 2.808 0 40 DFAB Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCCOc3ccccc31)CN2 65593732 UQSZEYPVTLGBLW-GOEBONIOSA-N 312.417 2.737 0 40 DFAB Cn1ccc(NC(=O)Cc2csc(-c3cccs3)n2)n1 14136843 SECXYQGMPRTDIS-UHFFFAOYSA-N 304.400 2.786 0 40 DFAB CCCC(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5426885 WZKPXGNSSHEBQD-UHFFFAOYSA-N 320.702 2.818 0 40 DFAB Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(N)nc3n2)cc1 6585754 BWTNSKNMLMTXRS-UHFFFAOYSA-N 320.274 2.895 0 40 DFAB COc1ccnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 14309449 HNFKPUSEUVUZLH-LBPRGKRZSA-N 309.373 2.746 0 40 DFAB CN(C)C[C@@H]1c2ccccc2-c2ccccc2CS1(=O)=O 6637746 XPLNJIWMKHESJT-QGZVFWFLSA-N 301.411 2.885 0 40 DFAB COC(=O)c1cnc(/C=C/c2cc(OC)c(O)c(OC)c2)s1 69419092 KHDQNIHNPXUPAI-SNAWJCMRSA-N 321.354 2.823 0 40 DFAB CC[C@H](CNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 14899334 BJWGNRXDENPHAZ-CQSZACIVSA-N 321.380 2.618 0 40 DFAB Cc1cc2cc(-c3noc(CCC(=O)O)n3)c(O)nc2cc1C 22119571 GRTMLCXKYWPTTD-UHFFFAOYSA-N 313.313 2.624 0 40 DFAB CCc1csc([C@H]2CCCN(c3ncnc4[nH]cnc34)C2)n1 97047787 NHFGRPMQSOALRC-JTQLQIEISA-N 314.418 2.756 0 40 DFAB C[C@@](NC(=O)CCCc1ccc(F)c(F)c1)(C(=O)O)C1CC1 97036270 PRBXFCMVTMQZDP-INIZCTEOSA-N 311.328 2.657 0 40 DFAB CC(C)[C@@H](NC(=O)CCn1cncn1)c1ccc(Cl)cc1F 97081858 KCFRDISBTFOJOW-OAHLLOKOSA-N 324.787 2.974 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@H]3CC=CC[C@@H]3C2)c1 96007436 GYCDHJWQCLUVJT-HUUCEWRRSA-N 319.426 2.695 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C)c1C 9315871 HPNIKFAOPMOBQW-UHFFFAOYSA-N 300.358 2.657 0 40 DFAB N=c1c2ccccc2nc(S)n1Cc1ccc2c(c1)OCO2 9340110 KVONJGQLSFMRSU-UHFFFAOYSA-N 311.366 2.581 0 40 DFAB COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 9364926 ABEAOVPLPCNMPX-SNVBAGLBSA-N 312.325 2.667 0 40 DFAB Cc1nnc([C@@H](C)OC(=O)c2c[nH]nc2-c2ccc(F)cc2)o1 97147484 SIZLFZFHYUJQMC-MRVPVSSYSA-N 316.292 2.825 0 40 DFAB CS(=O)(=O)CCCCSc1nc2cc(F)c(F)cc2[nH]1 96469482 XVTORSXQILYOQB-UHFFFAOYSA-N 320.386 2.758 0 40 DFAB O=C(NCCCNc1cncc(Cl)n1)c1ccc(F)cc1 71894509 SXYKOLMKAMPRSV-UHFFFAOYSA-N 308.744 2.501 0 40 DFAB C[C@H](CC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)C1CC1 71830300 GXTPGIFEWCMELU-CJNGLKHVSA-N 300.402 2.512 0 40 DFAB Cc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1 19902047 SYRSNCLHHKUTDN-UHFFFAOYSA-N 316.445 2.760 0 40 DFAB CC[C@H](C(=O)NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1 97378228 NUCZNXDYQQUJKZ-HNNXBMFYSA-N 322.380 2.666 0 40 DFAB CN(C)c1ncccc1NC(=O)c1cc(F)c(F)c(F)c1F 78880600 CHZVMNCNMCXNLY-UHFFFAOYSA-N 313.254 2.956 0 40 DFAB NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1 95393164 IOWMRCWKCNXBMA-ZWKOTPCHSA-N 322.408 2.667 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)N(CC1CC1)CC1CC1 95397670 SITBIBQALZOLFG-UHFFFAOYSA-N 312.417 2.937 0 40 DFAB C[C@@H](NC[C@H]1CCCn2ccnc21)c1nc(C(C)(C)C)no1 84667601 ZMFGRLDQTTYQSA-VXGBXAGGSA-N 303.410 2.792 0 40 DFAB CN1Cc2ccc(NC(=O)C[C@@H]3CSCCS3)cc2C1 95433574 BZKQNCOOQHCISG-CQSZACIVSA-N 308.472 2.809 0 40 DFAB Cc1cc(C(F)(F)F)nc(NCCN2CCC(C)CC2)n1 95469189 HYFQKBKAPXDUKH-UHFFFAOYSA-N 302.344 2.948 0 40 DFAB C[C@H](NC(=O)N1CCC2(C1)OCCO2)c1cccc(Cl)c1 78951304 DQZNKNHPIJPBGK-NSHDSACASA-N 310.781 2.559 0 40 DFAB CO[C@](C)(C(=O)NC[C@@](C)(O)c1ccccc1)c1ccccc1 79021016 CTKZPKDRIOVONI-MOPGFXCFSA-N 313.397 2.572 0 40 DFAB CSC1(CNC(=O)N(C)[C@H](C)c2ccco2)CCOCC1 74737958 NERWOVDSEUYKQB-GFCCVEGCSA-N 312.435 2.894 0 40 DFAB Cc1[nH]ncc1C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 89544383 WFROQYDYDFHRRQ-MRXNPFEDSA-N 319.380 2.689 0 40 DFAB COC(=O)[C@H]1CCCCN1Cc1noc(-c2ccccc2C)n1 89696899 BBOFVJNMDRGOJN-CQSZACIVSA-N 315.373 2.573 0 40 DFAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCCO)cc12 21713119 AFMPJFBXAIBWBU-UHFFFAOYSA-N 316.382 2.604 0 40 DFAB O=C1C[C@H](COC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CN1 126105729 TUWBBZFOSAIQPN-ZETCQYMHSA-N 321.682 2.652 0 40 DFAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1F 30287570 QTERWVHSNMBXBW-LLVKDONJSA-N 321.373 2.974 0 40 DFAB CCN1CCCc2ccc(NS(=O)(=O)C(F)(F)F)cc21 38540535 UDCZVINYUQFTCY-UHFFFAOYSA-N 308.325 2.721 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1 32754967 NYBZEHVRKNLLLH-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCn1c(SC[C@@H]2CCCN(C)C2=O)nnc1-c1ccco1 521395492 PYJGLCYCARTDSY-NSHDSACASA-N 320.418 2.519 0 40 DFAB CC(=O)N[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 73372790 JDYAEPOVCTZWTD-DFQSSKMNSA-N 322.408 2.878 0 40 DFAB COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1 79311161 BVDVPYBKHSIGJC-CHWSQXEVSA-N 314.316 2.750 0 40 DFAB COc1ccc(-c2noc([C@@H]3CCCN3CC(C)C)n2)cn1 35425848 JXMMIYZREGUESU-ZDUSSCGKSA-N 302.378 2.933 0 40 DFAB biogenic,in-vitro CC(C)(C)OC(=O)NOCC[C@H](O)c1cc(F)cc(F)c1 2362801579 ZCXPCADYNBPLIW-LBPRGKRZSA-N 303.305 2.845 0 40 DFAB Cc1ccc2nc(CNC(=O)[C@@H]3CCc4cccc(O)c43)[nH]c2c1 560093433 BWJRCLFOYXHHEI-CYBMUJFWSA-N 321.380 2.923 0 40 DFAB CCn1ccc(NC(=O)c2ccc(Br)s2)n1 28227529 VTRZXAMUVVJPBR-UHFFFAOYSA-N 300.181 2.979 0 40 DFAB O=C(CCOC[C@@H]1CCCO1)Nc1cc(Cl)c(Cl)cn1 72529379 AGODVGUGVXKGHW-VIFPVBQESA-N 319.188 2.913 0 40 DFAB CSc1ccc(CNCCc2cccc(C(N)=O)c2)cc1 78553684 TTYUOCLRDGTWIW-UHFFFAOYSA-N 300.427 2.840 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1F 32586097 WPPXJSGPMBIRIK-UHFFFAOYSA-N 323.345 2.838 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)c1nc3ccccc3s1)C2 70971852 CWPTZWIOLILTKY-UHFFFAOYSA-N 318.398 2.521 0 40 DFAB CN(C)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 225821801 XKHIEVZDIAWBNK-UHFFFAOYSA-N 322.792 2.821 0 40 DFAB Fc1ccc([C@H]2OCC[C@@H]2NCCCn2ccnc2)cc1F 192137928 LXIIGKBGNZOCRU-JKSUJKDBSA-N 307.344 2.671 0 40 DFAB Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](N)c2ccccc2)CCO1 195544222 OHHMJDCKBIBCHD-RTBURBONSA-N 324.424 2.985 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)C1 195529992 CQYGSRUFGFHXGH-HNAYVOBHSA-N 323.440 2.711 0 40 DFAB N=C(O)c1c[nH]c(C(=O)N2CCC(CC(F)(F)F)CC2)c1 330634325 TUHCQJCUNFGQLZ-UHFFFAOYSA-N 303.284 2.703 0 40 DFAB O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccncc1 96452614 CKJGTDRYQNWSSH-HNNXBMFYSA-N 324.380 2.791 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2nnc(-c3ccoc3C)o2)n1 96469029 BHUMOFNMORPHOM-VIFPVBQESA-N 318.358 2.883 0 40 DFAB Cn1cnnc1CN1CCC[C@@H](Oc2ccccc2Cl)C1 95434291 YNWCMOTYFKXMHS-GFCCVEGCSA-N 306.797 2.512 0 40 DFAB Cc1nnc(N2C[C@H](OCC3CCCC3)[C@H]3OCCC[C@H]32)s1 96065403 WUFXMOQDJDFCJV-ILXRZTDVSA-N 323.462 2.790 0 40 DFAB CCO[C@@H]1C[C@@H](NCC2(OC)CCOCC2)C12CCCCC2 97231002 GEPIUSQWBWEIKJ-HZPDHXFCSA-N 311.466 2.900 0 40 DFAB Cc1cnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)s1 96231007 WXCNLSIIPBKCLP-UHFFFAOYSA-N 312.354 2.986 0 40 DFAB OCc1ccc(C(F)(F)F)c(I)c1 95917670 BWKLQWPKQYHQHM-UHFFFAOYSA-N 302.033 2.802 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccs1)C2 96056852 NXGIKNUQMLDIGX-GDBMZVCRSA-N 309.431 2.796 0 40 DFAB c1cnc(N2CCC23CCN(Cc2ccsc2)CC3)nc1 96077996 KDKPCZCKWHVUFU-UHFFFAOYSA-N 300.431 2.783 0 40 DFAB c1ccc(O[C@H]2COC3(CCN(c4cnccn4)CC3)C2)cc1 96073202 MZZJWECUDWRVHI-MRXNPFEDSA-N 311.385 2.684 0 40 DFAB Cc1ccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)c(=O)[nH]1 96449141 UVCYCGAUSSNOPO-OAHLLOKOSA-N 311.385 2.780 0 40 DFAB COc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1C 95097163 XSLXTJDQKMTAIQ-UHFFFAOYSA-N 306.387 2.820 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C2)n1 257211746 CAGKJTGULCVBRX-GFCCVEGCSA-N 305.328 2.555 0 40 DFAB c1ccc(N2CCC(Cc3cncc(-c4ncc[nH]4)n3)CC2)nc1 257252302 JUGZZFZPWSZERW-UHFFFAOYSA-N 320.400 2.721 0 40 DFAB c1cnc(Nc2cc([C@H]3CCCN3Cc3ncc[nH]3)ccn2)cn1 257303386 SGZQGVRAUCOGQN-CQSZACIVSA-N 321.388 2.675 0 40 DFAB COc1ccccc1Cc1ccc(C(=O)Nc2ccnn2C)cn1 257339418 ZBQLOJLKLIXEMR-UHFFFAOYSA-N 322.368 2.667 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)c3cn(C)nc3C)CC2)s1 257251425 JQSCMUQPAKTUTN-UHFFFAOYSA-N 318.446 2.687 0 40 DFAB CCOC(=O)c1ccc(N/C=C2\SC(=O)NC2=S)cc1 618254663 GIHMPVMHJPUSKD-YFHOEESVSA-N 308.384 2.900 0 40 DFAB Cc1ccc(-n2nc(N3C(=O)[C@H]4CCCCN4C3=O)cc2C)cc1 286081315 QGUNOXDLZPMQDF-OAHLLOKOSA-N 324.384 2.810 0 40 DFAB O=C(OC[C@@H]1[C@@H]2C=CC=C[C@H]2[C@H]2C=CC=C[C@H]21)N1CC[C@H](O)C1 299888570 OVXDXVYMAORQCD-DWMDIXPDSA-N 313.397 2.536 0 40 DFAB O=C(Cc1ccccc1Cl)NCc1cc(C2CC2)ncn1 585360509 KUYYKASALZHTQL-UHFFFAOYSA-N 301.777 2.866 0 40 DFAB O=C(c1ccco1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40817112 XMLWHSHCEJKUJD-GFCCVEGCSA-N 300.362 2.575 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccsc1 1554503306 YFQUWKMYAARMPK-LBPRGKRZSA-N 318.354 2.884 0 40 DFAB CC(=O)O[C@@H](CC/C(C)=C\CO[C@H]1CCCCO1)C(C)(C)O 5022823 FHNUCPDIWSTPBU-UPUWXQQRSA-N 314.422 2.959 0 40 DFAB CSc1nnc(CCNC(=O)Nc2ccccc2)n1C(C)C 5977401 GINHPYVDJHDECX-UHFFFAOYSA-N 319.434 2.945 0 40 DFAB Cc1nc2ccccc2n1CC(=O)OCC(=O)c1ccccc1 12659129 ZAPPPKGFGYUKDF-UHFFFAOYSA-N 308.337 2.771 0 40 DFAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@@H]1CCOC1 19337969 LEDYCCRLXMEMJX-CABCVRRESA-N 302.399 2.580 0 40 DFAB O=C(O)c1cc(I)cn1C1CCCC1 167138669 XLZNYVRFYJEZRW-UHFFFAOYSA-N 305.115 2.906 0 40 DFAB O[C@@H](CNc1ccnc(Cc2ccccc2)n1)c1ccncc1 167252123 HBWJCQHKGMMUKD-INIZCTEOSA-N 306.369 2.608 0 40 DFAB C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(OC(C)(C)C)cc1 157061759 SELGSYAGVUIXNS-WBVHZDCISA-N 319.493 2.760 0 40 DFAB COc1cc(N=c2[nH]c(SC)ncc2C)cc(OC)c1OC 1888890304 RXJMGZNJSRTSJY-UHFFFAOYSA-N 321.402 2.698 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3ccccc23)C1 1889160454 LSGCXZNVUVMLHE-CQSZACIVSA-N 306.369 2.991 0 40 DFAB Cc1cnc(OC[C@H]2CCCN(Cc3c(C)noc3C)C2)nc1 1776000871 NXQZRTPBUJQLIO-HNNXBMFYSA-N 316.405 2.681 0 40 DFAB CC1CC(C(=O)N2CCc3c(COCC4CC4)cncc3C2)C1 1565551559 HKUBQADQJYDDBS-UHFFFAOYSA-N 314.429 2.939 0 40 DFAB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(noc2C)C[C@@]1(C)O 4177250 DWXONTTXPOFYOP-IXDOHACOSA-N 303.333 2.766 0 40 DFAB CCc1nccn1CC1CN(C(=O)c2ccc(Cl)cc2)C1 1849143365 PNBQNQIEZOZLGZ-UHFFFAOYSA-N 303.793 2.871 0 40 DFAB O=C(c1cc[nH]c1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 2055835521 QVTYWMJCDILCAB-IBGZPJMESA-N 323.396 2.674 0 40 DFAB Cn1cccc(C(=O)NCc2ccc(-c3cccs3)o2)c1=O 575609626 ZCUZGEPNVRFIHH-UHFFFAOYSA-N 314.366 2.637 0 40 DFAB COc1ccc(Cn2c(S)nc3ccsc3c2=O)cc1 100090699 ATPDMPCVLZGMAQ-UHFFFAOYSA-N 304.396 2.804 0 40 DFAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nnsc1Cl 40498003 JNWJQSVVDFTMLM-WPRPVWTQSA-N 322.821 2.559 0 40 DFAB Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 100504384 OGEAZAASTJTWRK-UHFFFAOYSA-N 312.300 2.636 0 40 DFAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cn1 31961904 MDZVJWKVXWCKNI-ZDUSSCGKSA-N 315.442 2.628 0 40 DFAB O=C1O[C@@](Cc2ccccc2)(N2CCCC2=O)[C@H]1c1ccccc1 1623854 DNJDYUUIZCUUIV-AZUAARDMSA-N 321.376 2.888 0 40 DFAB Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)CC1 313603 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CC(=O)NCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 55392020 BMBADZNTBWQOAQ-UHFFFAOYSA-N 323.396 2.846 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1 25309956 JCJVIWAJOHNULO-KRWDZBQOSA-N 312.369 2.908 0 40 DFAB Cc1ccsc1CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 25720941 VXWGZJOCQVFFEJ-LBPRGKRZSA-N 318.373 2.938 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C 43828444 VBMZGDPEOZZPFG-VXGBXAGGSA-N 304.390 2.877 0 40 DFAB CCCS(=O)(=O)NCc1ccnc(Oc2ccccc2)c1 57006360 NWNDBIQDMOBSIQ-UHFFFAOYSA-N 306.387 2.703 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNC(=O)NC1[C@@H](C)CCC[C@@H]1C 108485461 PJOIJRNFNSMPEU-JFILPPLUSA-N 314.495 2.757 0 40 DFAB CCN(CC)C(=O)CSc1nnc2ccc3ccccc3n12 1924249 PMERVORKJUKHOS-UHFFFAOYSA-N 314.414 2.843 0 40 DFAB CCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(C)cc2)N1C(C)=O 27118013 YNCAGSMKIUFINX-RDJZCZTQSA-N 320.458 2.874 0 40 DFAB CCc1ccc(-c2ccc(C(=O)NCc3n[nH]c(C)n3)o2)cc1 78932528 WYUOIQKNJMXKAI-UHFFFAOYSA-N 310.357 2.866 0 40 DFAB Cc1ccccc1-c1noc(CSc2nc3ncccn3n2)n1 10074442 SJGSGUJCOBIBTB-UHFFFAOYSA-N 324.369 2.775 0 40 DFAB COc1ccc(-c2noc(CCC(=O)Nc3ccncc3)n2)cc1 10126308 MTGSZWHUBMJKHO-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(N2CCCCC2)CC1 26439294 LILQVIVCPYUAOT-IAGOWNOFSA-N 321.509 2.726 0 40 DFAB O=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CC1 58209092 XOOQKTTUHNEPMJ-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)no1)Cn1cccn1 58265861 WOENDBJEMDEZTH-ZDUSSCGKSA-N 310.357 2.604 0 40 DFAB Cn1c(Cn2cnc3ccc(Cl)cc3c2=O)nc2ccccc21 58201925 SELNSHKRHMRYMR-UHFFFAOYSA-N 324.771 2.985 0 40 DFAB O=C(NCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C1CC1 58213249 VUTNCPFAHLBDRO-KRWDZBQOSA-N 312.413 2.581 0 40 DFAB C[C@@H](CNC(=O)[C@@H](C)COCc1ccccc1)CN1CCCC1 58290905 HVUJREHXZOKNOB-IRXDYDNUSA-N 318.461 2.687 0 40 DFAB Cn1nnnc1SCc1cc(Cl)ccc1OC(F)F 3339639 ULCITHVLIVKLIN-UHFFFAOYSA-N 306.725 2.757 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1 10737226 PUQMZFKKXFZTHX-UHFFFAOYSA-N 322.412 2.841 0 40 DFAB CN(Cc1cnn(C)c1)Cc1cc(F)ccc1Br 69387764 ADNAJSHMMMOINH-UHFFFAOYSA-N 312.186 2.954 0 40 DFAB O=C1OCC[C@H]1Sc1nc(C2CC2)n(-c2ccccc2)n1 8327469 IQJWZRBOZDAHQX-GFCCVEGCSA-N 301.371 2.552 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)N[C@@H](CC(=O)O)c1cccs1 13389590 MNCCACAEAYFHAZ-YPMHNXCESA-N 319.382 2.848 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 69417129 WXURMRCBYOTQAS-GFCCVEGCSA-N 324.371 2.589 0 40 DFAB COc1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)cc1 69442183 CRKGAWMJZXPFGI-WBMJQRKESA-N 324.380 2.703 0 40 DFAB CCNC(=O)c1cccc(C)c1OCc1nnc(SC)s1 69562176 KUYCJVXDAXQWSD-UHFFFAOYSA-N 323.443 2.897 0 40 DFAB C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C(N)=O)cs1 92063910 MBMOGFXNIDXPNY-BZNIZROVSA-N 316.426 2.671 0 40 DFAB Cc1nn(CC(=O)N2CCCCCC2)c(C)c1Br 27981831 CFNBVLHXJUIDGM-UHFFFAOYSA-N 314.227 2.665 0 40 DFAB CNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 5234444 LJVBBHKMIYPQPL-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)o1 69632029 PPRXNHOBSACLHO-DZGCQCFKSA-N 301.390 2.888 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@H](C)O1 14118438 IBPYXJARWXWRCT-IUCAKERBSA-N 316.170 2.838 0 40 DFAB Cc1cc(NCCc2nc(C(C)(C)C)cs2)n2ncnc2n1 69871490 YFJNJAOIOVCPCE-UHFFFAOYSA-N 316.434 2.841 0 40 DFAB O=C(Nc1cccc(C(=O)Nc2ncccn2)c1)c1ccccc1 6595333 PVSZYOGLGXHXSU-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB O=C(NCCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1 69968631 MPYCGZQLTBYENF-UHFFFAOYSA-N 315.304 2.555 0 40 DFAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NCc1ccccc1 6634738 PVQQJSRTFSYQIL-NSHDSACASA-N 318.760 2.597 0 40 DFAB O=C(CCCNC(=O)c1ccco1)NCc1ccc(Cl)cc1 19160310 VKGDPJFLTYMJNP-UHFFFAOYSA-N 320.776 2.759 0 40 DFAB Cn1nccc1CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 92790623 DAMLDEYAZWHPPK-CYBMUJFWSA-N 320.462 2.748 0 40 DFAB Cc1ccccc1OCCn1c(CCNC=O)nc2ccccc21 7546663 SSQLKGOQSDAPJU-UHFFFAOYSA-N 323.396 2.712 0 40 DFAB O[C@@]1(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 90848490 XWSHJFPEZGRVSU-PKOBYXMFSA-N 317.429 2.520 0 40 DFAB C[C@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 71186031 KHBWWOJTCCSAJE-NSHDSACASA-N 323.824 2.672 0 40 DFAB Cc1ccncc1Nc1ncc(Br)cc1C(=O)O 71414449 JOLWFCWYFBKBDR-UHFFFAOYSA-N 308.135 2.989 0 40 DFAB COc1cccc(NC(=O)CCNC(=O)c2ccccc2C)c1 9315814 VPYPVYNHMZDEKD-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB C[C@H](NC(=O)N1CCCC[C@@H]1CCO)c1ccc(F)c(F)c1 97034257 SECVAQQDPYOWJS-WCQYABFASA-N 312.360 2.972 0 40 DFAB COc1ccc(OC)c(NC(=O)c2c(C)cc(=O)oc2C)c1 9451889 WHFOXKUAYPSXFZ-UHFFFAOYSA-N 303.314 2.526 0 40 DFAB CCOC(=O)N1CCC(N[C@H](c2nccs2)C2CC2)CC1 96494305 RXSUVMIOIFRREL-ZDUSSCGKSA-N 309.435 2.805 0 40 DFAB Cc1noc2nc(C3CC3)cc(-c3nc(-c4cnn(C)c4)no3)c12 96405270 RXSUZVKIOZAKGV-UHFFFAOYSA-N 322.328 2.859 0 40 DFAB CCn1c(CNC[C@@H]2CCCn3ccnc32)nc2ccccc21 83843338 ZBMDZNAVUZYXLK-AWEZNQCLSA-N 309.417 2.920 0 40 DFAB Cc1ccn(-c2ccc(N[C@@H]3CCOC4(CCCC4)C3)nn2)n1 84248012 SEIKDLAGFYSORL-CQSZACIVSA-N 313.405 2.874 0 40 DFAB Cc1cccc2c(=O)c(C(=O)N(C)Cc3nccs3)c[nH]c12 97100836 XIYIHCHNEZFVHS-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB C[C@H](N)C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 97229014 FILSJWNGEYMDOH-QMMMGPOBSA-N 316.311 2.794 0 40 DFAB C[C@H](OC[C@H](O)CNC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 95397684 WBZSNEXFFXMNQD-IJEWVQPXSA-N 307.434 2.924 0 40 DFAB Cn1c(SC[C@@H](O)c2cc(F)ccc2F)nnc1C1CC1 95951616 XJESWOYZKIZOGC-GFCCVEGCSA-N 311.357 2.796 0 40 DFAB C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc2c(c1)OCCO2 95968115 CIOQTQBKEYNBPF-QKVFXAPYSA-N 311.447 2.656 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)n1C 95960072 PITZWHZVEGRGGT-QGZVFWFLSA-N 316.401 2.584 0 40 DFAB COc1ncccc1CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 89420716 KZETZJPTJHEWQJ-STQMWFEESA-N 318.323 2.788 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)Cc2ccccc2)c(C)n1C1CC1 89575614 NCLVGKMHRYWKDW-QGZVFWFLSA-N 312.413 2.773 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@H](C)n1cc(Br)cn1 28224212 GXNCZJPTVQVHAM-UWVGGRQHSA-N 300.200 2.608 0 40 DFAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1 20047547 AUTGNKMYEJXJSM-KRWDZBQOSA-N 322.424 2.975 0 40 DFAB CC(=O)NCCCN[C@H](C)c1ccc(Br)cc1F 125665088 CCUPWVKOLSJCOE-SECBINFHSA-N 317.202 2.765 0 40 DFAB Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 306136880 QFOYDGJLYMISTE-IRXDYDNUSA-N 324.380 2.998 0 40 DFAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc2nnnn2c1 531554850 HQCOZUBPARNEFL-CYBMUJFWSA-N 309.373 2.565 0 40 DFAB Cc1cc(C)nc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 72203099 HBZCLBJTPUCRPH-ZDUSSCGKSA-N 307.394 2.872 0 40 DFAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccc(F)cc1 36635757 BTLGNALHNARVRN-CQSZACIVSA-N 302.280 2.709 0 40 DFAB CCOc1cccc(CNS(=O)(=O)Cc2ccccc2)c1 30854449 BSIJHLJYEDCPSC-UHFFFAOYSA-N 305.399 2.705 0 40 DFAB O=C(Nc1cc(Br)c(F)cc1F)c1cc[nH]n1 188146317 QNEOYCGHCVAGCB-UHFFFAOYSA-N 302.078 2.703 0 40 DFAB COc1ccc2[nH]cc(C(=O)Nc3nc(C)cs3)c(=O)c2c1 39962799 NTRZOZKCTNXZOV-UHFFFAOYSA-N 315.354 2.554 0 40 DFAB COc1ccccc1CN(CCC(=O)O)C(=O)OC(C)(C)C 32212022 HKASAERZBLLPHF-UHFFFAOYSA-N 309.362 2.907 0 40 DFAB Cc1c(C(=O)N[C@H](C)COCC(C)C)c(=O)oc2ccccc12 78708414 FYIYOVBGRXZRLV-GFCCVEGCSA-N 317.385 2.892 0 40 DFAB CS(=O)(=O)c1ccc(-c2ccnc(C3CCNCC3)c2)cc1 72365384 ZAEAAOURWDNJKS-UHFFFAOYSA-N 316.426 2.619 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 78611822 GZDHJLDEHPPMBT-KBPBESRZSA-N 314.389 2.822 0 40 DFAB OC1=N[C@@H](c2cnn(-c3ccc(F)cc3)c2)N2CCCC[C@@H]12 78759216 MAFULVJRLNNVPN-LSDHHAIUSA-N 300.337 2.835 0 40 DFAB Cc1ccc([C@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446431 OFPTXVRIANHEFN-BZSNNMDCSA-N 316.422 2.852 0 40 DFAB Cc1c(Br)c(C(=O)NC2CCCCC2)nn1C 32648437 DQUOQVGHNKQLJK-UHFFFAOYSA-N 300.200 2.554 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 75112346 WCJCBZLXCXTSMP-AGIUHOORSA-N 322.409 2.641 0 40 DFAB Cc1ccc2c(n1)OCCN2C(=O)c1cccc(OC(C)C)n1 180487670 WJJISYOOPHDTCG-UHFFFAOYSA-N 313.357 2.611 0 40 DFAB Cc1cc(F)cc2[nH]c(C(=O)N3CCN(C)C(C)(C)C3)cc12 559318349 VWVXIEBIADJZCT-UHFFFAOYSA-N 303.381 2.782 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccn1 79029273 PUQUZUQBOPGPRS-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB CSc1ccc(N2C[C@@H](C(=O)NC(C)(C)C)CC2=O)cc1 43565310 XXCAAZNMGHTXKD-NSHDSACASA-N 306.431 2.676 0 40 DFAB CCCOc1cccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)c1 568040387 NRKSPNAHNFINHL-HNNXBMFYSA-N 302.418 2.576 0 40 DFAB O=C1[C@@H](C2CCOCC2)N=C(O)N1c1cccc2ccsc12 329326776 UHFHXVXRTAAJGK-CYBMUJFWSA-N 316.382 2.957 0 40 DFAB CCOCCN(C)Cc1nc2cc(Br)ccc2[nH]1 97099189 JGUPTASSTGDMFT-UHFFFAOYSA-N 312.211 2.794 0 40 DFAB CN1C(=O)C[C@H](CN[C@@H]2CCCSC2)[C@@H]1c1ccccc1 97371219 PMRHBXIMWCRCJV-INMHGKMJSA-N 304.459 2.691 0 40 DFAB O=C(c1ccco1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039815 CIZWLHNTTZUYMW-WMZOPIPTSA-N 319.401 2.718 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]2SC)c1C 96439899 LJEBUNREZLCOHY-KGLIPLIRSA-N 310.467 2.603 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1C)C2 96039056 ZYNPRFIEDZORTH-SJLPKXTDSA-N 303.402 2.653 0 40 DFAB CO[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 95942462 QNAATGUUOVFIKV-GHMZBOCLSA-N 301.383 2.700 0 40 DFAB CN(C)[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21 96079167 YUBOMOXXSPBSLJ-CRAIPNDOSA-N 300.446 2.816 0 40 DFAB Cn1nc(CNC(=O)NCc2ccc(Cl)cc2)cc1C1CC1 96099381 PWEFPCOUEMTSHZ-UHFFFAOYSA-N 318.808 2.950 0 40 DFAB CCOC(=O)c1csc(N(C(=O)c2ccco2)C2CC2)n1 96418424 UBTGYDSMBHUPDD-UHFFFAOYSA-N 306.343 2.722 0 40 DFAB CCSCC[C@H](C)NC(=O)c1ccc(N2CCCC2)nc1 96433071 LRDOWDNXSHAYBM-ZDUSSCGKSA-N 307.463 2.943 0 40 DFAB CC(C)c1ncc(C(=O)OCc2cccc(C(N)=O)c2)s1 95430941 KIHLIZWSRQQPCT-UHFFFAOYSA-N 304.371 2.722 0 40 DFAB c1cn([C@@H]2CO[C@]3(CCCN(Cc4ccsc4)C3)C2)cn1 96048551 HSTSFANUTXQSLQ-JKSUJKDBSA-N 303.431 2.941 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)Nc1cc(CCO)ccn1 581736372 SYFVZWBAHARFOO-UHFFFAOYSA-N 324.302 2.816 0 40 DFAB CC(C)Cc1n[nH]c(NC(=O)c2cc(-c3ccccc3)nn2C)n1 95474813 IXGJYSJFOHDEAG-UHFFFAOYSA-N 324.388 2.656 0 40 DFAB CCc1nc(CNC(=O)Cc2c(CC)oc3ccccc23)n[nH]1 529432561 PIGHFPGGJAMGRM-UHFFFAOYSA-N 312.373 2.535 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)OCc1ccc(Cl)cc1 583651277 IIMOQYQGKRWJET-BXKDBHETSA-N 303.811 2.679 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257224495 FCAUDPPCAASNCE-GFCCVEGCSA-N 317.364 2.652 0 40 DFAB Cc1nc([C@@H]2CCNC2)ncc1C(=O)Nc1ccc(Cl)cc1 257242866 IENMJXBPDZUQNA-LLVKDONJSA-N 316.792 2.768 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C1 257308859 TYMCGSFWUAOWJU-INIZCTEOSA-N 324.428 2.948 0 40 DFAB C[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@H](c2ccsc2)O1 252548787 QKVUDOKTYTUOED-WQVCFCJDSA-N 316.426 2.737 0 40 DFAB COc1ccc([C@@H]2CN(Cc3nccs3)CCN2C)cc1 257230695 GDLXZCBRMPEOBP-HNNXBMFYSA-N 303.431 2.640 0 40 DFAB O=C(c1cc[nH]n1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 257298138 RKJKKPZGLBJUAB-ZDUSSCGKSA-N 306.369 2.663 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1cccc(Cl)c1 257237505 HGUYQSFFEKHVDQ-ZBFHGGJFSA-N 320.820 2.918 0 40 DFAB O=C(c1ccsc1)N1CC(N2CCc3sccc3C2)C1 390827772 KAXAOXQTYUWQRR-UHFFFAOYSA-N 304.440 2.692 0 40 DFAB CC(C)CN1CCC[C@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099876 OOJBAIRBFLHDNA-AEFFLSMTSA-N 308.466 2.669 0 40 DFAB CCONC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 45871011 UDNRXRNFXNGKAT-UHFFFAOYSA-N 314.345 2.954 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cccc(C)c2C)CC1 68487846 QKFUUMLOHHHVMM-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB CCc1c(NC(=O)N2CCO[C@H](C)[C@H]2C)cnn1CC(C)C 96499593 BMIYOYAHAGMRSU-CHWSQXEVSA-N 308.426 2.743 0 40 DFAB Cc1c(CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cnn1C 195555547 RKHIQCNLZCQKGF-DOMZBBRYSA-N 322.453 2.606 0 40 DFAB Cc1cccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 5170856 GQBWGVFSTBPWCC-UHFFFAOYSA-N 321.380 2.812 0 40 DFAB COC(=O)[C@]1(C)C=C(Nc2ccccc2)C(=O)N1c1ccccc1 5551751 BOHUAQRCGHGMHG-IBGZPJMESA-N 322.364 2.961 0 40 DFAB O=C(O)COc1ccc2cc(-c3cccs3)c(=O)oc2c1 11766217 DYDUOEQOLWKQDS-UHFFFAOYSA-N 302.307 2.985 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(F)c1 13028037 CACVEMRZBJRZLD-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 19502469 ZBBXCMIZKLBGOI-CYBMUJFWSA-N 314.389 2.503 0 40 DFAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 7378533 OKVOKAXXRUWKDK-CYBMUJFWSA-N 324.380 2.801 0 40 DFAB CO[C@H]1CCCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1F 643914450 RIJCDQNZZARLMR-ROUUACIJSA-N 317.408 2.781 0 40 DFAB NCCCCCCNS(=O)(=O)c1ccc2ccccc2c1 2517067 CHHZVZYXJLQFGT-UHFFFAOYSA-N 306.431 2.637 0 40 DFAB in-vitro Clc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)cc1 4785431 YRVLHUGYWKSVFY-UHFFFAOYSA-N 314.761 2.963 0 40 DFAB Cn1cc(NC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21 5265821 ISUIABOIZNHIML-UHFFFAOYSA-N 308.341 2.921 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)s1 40541716 HFVMNDPNBSKCTL-CYBMUJFWSA-N 318.373 2.938 0 40 DFAB O=C1C[C@H](C(=O)NCCc2ccsc2)c2ccc(F)cc2N1 40509485 QIZOWZNWDZHVOS-ZDUSSCGKSA-N 318.373 2.672 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1 51357123 ZRSYKIFGEBZHSV-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB COc1ccccc1NC(=O)c1cc2ccc(O)cc2oc1=O 273904 QERAEVZCRJYDPE-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB COCCCNC(=O)Nc1ccc(N2CCSCC2)cc1C 51673654 OTKVZKPXMMBBND-UHFFFAOYSA-N 323.462 2.706 0 40 DFAB O[C@@H](CN1CCC(N2CCCC2)CC1)c1ccccc1Cl 51952975 PRTQWVBRNVYZBE-KRWDZBQOSA-N 308.853 2.934 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccs2)cc1 1328585 CIVSSLBSHXZBHO-GFCCVEGCSA-N 303.383 2.918 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1cccc(F)c1 69770535 LUAYGKYAXRMGCM-ZWKOTPCHSA-N 320.408 2.680 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Oc2ccccc2)cc1 69704522 YNDMFMXTDANCSV-GUYCJALGSA-N 324.380 2.935 0 40 DFAB CCCc1nc(CNC(=O)c2ccccc2Br)no1 6274404 KWBRROHNXYVTOB-UHFFFAOYSA-N 324.178 2.715 0 40 DFAB Cc1ccc2c(c1)CC1(CCCCC1)c1c-2[nH]c2nnnn2c1=O 100003169 SXHJUSQHCYAQIQ-UHFFFAOYSA-N 321.384 2.546 0 40 DFAB COc1cc([C@@H](C)NC(=O)[C@H]2CCCO2)ccc1OC(C)C 32914553 MBAYGPJDXLWABU-IUODEOHRSA-N 307.390 2.839 0 40 DFAB C[C@@H](NC(=O)COC(=O)Cc1cccs1)c1ccc(F)cc1 10530647 JJBLDQANGGEZMB-LLVKDONJSA-N 321.373 2.850 0 40 DFAB CCOc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OC 8253700 BGLMBGQLNIYMCR-UHFFFAOYSA-N 314.798 2.745 0 40 DFAB O=C1C[C@H](c2ccccc2)N(Cc2nc3ccccc3o2)CCN1 52834543 GTFUHNJUUMGWND-MRXNPFEDSA-N 321.380 2.891 0 40 DFAB Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c1 33238756 JTMJIXJOBDVABP-IBGZPJMESA-N 322.408 2.647 0 40 DFAB COCc1c(C(=O)N2CCO[C@H]3CCC[C@@H]32)oc2ccccc12 53375669 DDTKQSFYYHKMQJ-HOCLYGCPSA-N 315.369 2.973 0 40 DFAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccc(C)n1 9061894 HYQXKUWSJOMKHH-UHFFFAOYSA-N 308.403 2.735 0 40 DFAB CN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55244887 MKEWLHBPADEATN-UHFFFAOYSA-N 322.430 2.525 0 40 DFAB Cc1ccccc1NC(=O)CNc1ccc(-n2nccn2)cc1 55844062 FQWPGMMKLZRLMA-UHFFFAOYSA-N 307.357 2.626 0 40 DFAB CC(C)=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 56082054 URDPSHALXAGARC-AWEZNQCLSA-N 301.390 2.533 0 40 DFAB CN1CCC(NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 25598100 AHMXAANZFJJDKV-UHFFFAOYSA-N 322.408 2.742 0 40 DFAB O=C(c1cnccn1)N1CCn2cccc2[C@H]1c1ccccc1 44575747 ZOFONVOPCVWBGK-QGZVFWFLSA-N 304.353 2.524 0 40 DFAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)CSc1ncn[nH]1 58244490 UWZLUAWKRYBJAB-LLVKDONJSA-N 320.418 2.561 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)[C@H]1CCCO1 27883578 NRNNKGDGLHDXRR-IUODEOHRSA-N 316.405 2.618 0 40 DFAB Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccccc1F 58450795 LOPHLYPBPULYKB-UHFFFAOYSA-N 315.348 2.897 0 40 DFAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccnc1)C1CC1 28515621 BOYGFDLWHONFHW-UHFFFAOYSA-N 320.348 2.993 0 40 DFAB C[C@@H]1CCc2c(sc3nc(CN4CCCC4)[nH]c(=O)c23)C1 3311523 PXBMFIILEFKXBI-SNVBAGLBSA-N 303.431 2.705 0 40 DFAB Cc1csc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)n1 48237188 UQMIDHWVDXAZFE-UHFFFAOYSA-N 303.387 2.537 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c2c(c1)OCO2 48262813 WAFBURFIMVLEJQ-JTQLQIEISA-N 311.765 2.567 0 40 DFAB OCc1cc2ccccc2nc1N[C@H]1c2ccccc2C[C@H]1O 91430942 SQIUMMYNPUGXQI-MSOLQXFVSA-N 306.365 2.797 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 3477218 RQUVDTDJXPTFSM-UHFFFAOYSA-N 314.385 2.623 0 40 DFAB COc1ccc(CC(=O)NCCc2ccc(F)cc2)c(OC)c1 8304242 LYWOMOUYSNIHQB-UHFFFAOYSA-N 317.360 2.744 0 40 DFAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(N)=O 8388873 ICKXMGVKTRRLTF-ZCFIWIBFSA-N 314.823 2.901 0 40 DFAB Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12998230 NVYXLQYWQTVQFW-HNNXBMFYSA-N 320.396 2.996 0 40 DFAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2ncsc2c1 12976576 CKPQTWBQBQJRDP-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB Cn1ncc2c1ncn1nc(-c3ccc(Cl)c(Cl)c3)nc21 5206389 NXVDBSRYPGJTGV-UHFFFAOYSA-N 319.155 2.985 0 40 DFAB CC(C)CCO[C@H](C)C(=O)Nc1nnc(-c2ccccn2)s1 65551191 YXXBDZBJBVPFPD-LLVKDONJSA-N 320.418 2.990 0 40 DFAB O=C(CCc1nc(-c2ccsc2)no1)NCc1ccco1 14189731 NIXWLKGBOUUODE-UHFFFAOYSA-N 303.343 2.640 0 40 DFAB COc1cccc(NC(=O)NCC[S@](=O)c2ccccc2)c1 69970292 YJYMGFBMJMGFRO-JOCHJYFZSA-N 318.398 2.625 0 40 DFAB CC(C)C(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 6661392 XGROSNPREGGTHW-UHFFFAOYSA-N 320.702 2.674 0 40 DFAB CCN(CC)CCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 4863116 VYEHBECLQNDAHP-UHFFFAOYSA-N 318.808 2.873 0 40 DFAB CCCOc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 92703358 UNUKDJDUCJMCDN-SJORKVTESA-N 302.418 2.718 0 40 DFAB COc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCO4)c1 7714921 HTMCNYBNEBDLIX-UHFFFAOYSA-N 323.304 2.909 0 40 DFAB CC(C)c1noc([C@@H](C)N[C@@H](C)c2nnc3ccccn23)n1 96013962 LROCDQKCJHVKPA-WDEREUQCSA-N 300.366 2.648 0 40 DFAB Cc1ccc(C(=O)NCC[S@@](=O)Cc2ccccc2)cc1 71893180 OIZZCDWLCOJPIU-NRFANRHFSA-N 301.411 2.674 0 40 DFAB O=C(CSCc1ccncc1)NCC1(O)CCCCCC1 72288708 QIDZMHZBJUYKBD-UHFFFAOYSA-N 308.447 2.516 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccccc2O)C1 84200029 KJMUXJJZCRKIKE-NSHDSACASA-N 306.362 2.588 0 40 DFAB CCOc1ncccc1CNCc1cn(C)nc1-c1cccnc1 97159815 HDAPVCPQHOFHDW-UHFFFAOYSA-N 323.400 2.566 0 40 DFAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccon1 97165111 PGPKWPNSDRNEFI-UHFFFAOYSA-N 306.265 2.635 0 40 DFAB O=C(O)[C@H]1CCC(=O)N(CCc2cccs2)[C@H]1c1ccco1 75584246 CQEBFVJGZLZDPY-SWLSCSKDSA-N 319.382 2.948 0 40 DFAB O=C(CCN1CCCC1=O)Nc1ccc(F)c(-n2cccc2)c1 75606979 OGROWRYTULGLHS-UHFFFAOYSA-N 315.348 2.567 0 40 DFAB CCn1cc(C(=O)NCc2csc(Br)c2)cn1 95397144 YNBVZHOAZSRLMA-UHFFFAOYSA-N 314.208 2.657 0 40 DFAB COc1ccsc1S(=O)(=O)N1CC2(CC2)c2ccccc21 95414628 JJFSBXYBPIOLCX-UHFFFAOYSA-N 321.423 2.997 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(NC=O)cc1 73797134 KDAXSYKQDPJHIZ-GFCCVEGCSA-N 300.333 2.755 0 40 DFAB CN[C@H]1CCCN(C(=O)c2cccc(Br)c2C)C1 88441969 BJPSGPVQEQXUIH-NSHDSACASA-N 311.223 2.582 0 40 DFAB COc1ccccc1CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 78894583 DNPQCCDNFIFDIK-ZBFHGGJFSA-N 318.461 2.672 0 40 DFAB O=C(Nc1cc(-n2cccc2)ccc1F)N[C@H](CCO)C1CC1 78870040 LHNANUFJUICAIG-OAHLLOKOSA-N 317.364 2.899 0 40 DFAB C[C@H]1CCC[C@@H](C)CN1C(=O)NCCCOC1CCOCC1 74543794 CTKPLLMVEMIPFZ-CABCVRRESA-N 312.454 2.792 0 40 DFAB c1cn(-c2ccc(CNc3ncnc4ccsc34)cn2)cn1 24906457 CLLHVGLRZMAFJM-UHFFFAOYSA-N 308.370 2.884 0 40 DFAB CC(C)(C)C(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1O 75092502 VEBDYDJNBXCPDM-UHFFFAOYSA-N 318.295 2.512 0 40 DFAB O=C(Nc1cc(-c2ccccc2)on1)c1ccc2nncn2c1 75092999 YHQZRLFKNQBBCK-UHFFFAOYSA-N 305.297 2.637 0 40 DFAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc[nH]1 89840134 ZWNYFANWNNYODF-MRXNPFEDSA-N 304.365 2.986 0 40 DFAB CCc1c(C)nc(-n2nc(-c3cccs3)cc2N)nc1O 38575646 YPPMKVHXRSODFL-UHFFFAOYSA-N 301.375 2.549 0 40 DFAB CN(C)c1ccc(NS(=O)(=O)c2ccccc2Cl)cn1 78556717 XWTMVOIQBVQHAO-UHFFFAOYSA-N 311.794 2.602 0 40 DFAB COCCCn1ccc(NC(=O)N[C@H](C)c2nc(C)cs2)n1 77514969 PRVZZOYMPSTTCJ-LLVKDONJSA-N 323.422 2.567 0 40 DFAB Cc1cccc2c1N(CC(C)C)C(=O)[C@]21CC(O)=Nc2[nH]ncc21 31810587 VPJVDEUCSQZBPQ-GOSISDBHSA-N 324.384 2.999 0 40 DFAB COCCOCC(=O)Nc1ccc(NCC2CCCC2)cc1 79046991 GBMNVYXHRKOOLU-UHFFFAOYSA-N 306.406 2.890 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccco1 42646528 KCOZDADEAFJGMR-UHFFFAOYSA-N 300.358 2.832 0 40 DFAB COc1ccccc1OCCCSc1nc(C)cc(=O)[nH]1 41074116 UKHSPKMYSZAFFD-UHFFFAOYSA-N 306.387 2.648 0 40 DFAB C[C@H]1CCn2ncc(C(=O)N3CCc4c(F)cc(F)cc43)c2C1 567921143 GNSRKWZBIRGUCV-JTQLQIEISA-N 317.339 2.947 0 40 DFAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CC 223513048 VHINTQVFDYIURQ-CQSZACIVSA-N 320.433 2.739 0 40 DFAB CCOCCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225410334 XABKEMWELBKHSU-AWEZNQCLSA-N 305.418 2.876 0 40 DFAB Cc1c(CNC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)cnn1C 569810277 NWCXFNIIPPHVOD-QGZVFWFLSA-N 313.401 2.634 0 40 DFAB CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(C2CC2)s1 195575202 UBZZFMKMWXURLC-UHFFFAOYSA-N 324.356 2.769 0 40 DFAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccs1 226264125 DXJNJKAJAIEDHD-UHFFFAOYSA-N 317.414 2.728 0 40 DFAB CC(C)c1nnc(C(=O)NCc2nc(C3CC3)cs2)s1 333592372 XFNQUJNEPWQRBZ-UHFFFAOYSA-N 308.432 2.925 0 40 DFAB CN(C)C(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C 96266336 XKOITMYVUIAKJU-UHFFFAOYSA-N 321.384 2.928 0 40 DFAB CCc1nc(CNC(=O)Nc2cccc([S@@](C)=O)c2)cs1 96410679 UKZAXUKSBXSXQW-NRFANRHFSA-N 323.443 2.765 0 40 DFAB COc1ccc(Br)cc1S[C@@H]1CCOC1=O 96422251 HMWRYKZQAAUFHL-SECBINFHSA-N 303.177 2.865 0 40 DFAB Cc1ccsc1CNC(=O)COc1cccc([C@@H](C)O)c1 96475842 DPEAOZILMMUALE-GFCCVEGCSA-N 305.399 2.805 0 40 DFAB CC1([C@H]2CCCN(C(=O)NCCC3=CCCC3)C2)OCCO1 96502282 GPBWDJRQPQAHFA-HNNXBMFYSA-N 308.422 2.671 0 40 DFAB O=C(c1ccsc1)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 97953906 OVDCVJMHRZKKAD-TUKIKUTGSA-N 315.398 2.530 0 40 DFAB O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1Cl 95117423 ZHCFCGOSDATWMO-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3cccc(OC)c3)n2)cc1 95533666 IUTCDWRMCBFAEE-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB CCN1C(=O)CC2(CCN(c3cnccn3)CC2)c2ccccc21 96080219 BHVPRZDHUFIIPE-UHFFFAOYSA-N 322.412 2.771 0 40 DFAB CC[C@](C)(CO)NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 96459632 ZCAOCHVXSXREKX-MRXNPFEDSA-N 320.368 2.602 0 40 DFAB CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CC(=O)N(C)C1 96420745 BIKJJMPAJLXVEF-CYBMUJFWSA-N 318.442 2.705 0 40 DFAB C[C@](O)(CN1CCCCC[C@H]1/C=C/c1ccccc1)C(=O)O 580202138 UITDXOYWPHWXNO-BJICUUOASA-N 303.402 2.780 0 40 DFAB CN1CC[C@H](COC(=O)Nc2ccccc2Br)C1 96032700 JVFOKKDTUCBMBH-JTQLQIEISA-N 313.195 2.949 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccon2)nc(N2CCCCC2)n1 96101127 MGLBBPCCJOFEFO-UHFFFAOYSA-N 315.377 2.831 0 40 DFAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@H]1CCCC[C@H]1C 245228448 YRVUYMPRNKRDFL-SNMAAJBASA-N 305.374 2.919 0 40 DFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3Cc2ccco2)Nc2ccccc21 248073037 YTMGEMWUZSXDMB-XHBKTUGNSA-N 309.369 2.568 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)CC2(O)CCCCC2)C1 257326132 WVYGWOGTEXOBFI-CQSZACIVSA-N 305.422 2.509 0 40 DFAB O=C(c1ccncc1)N1CCC(Oc2ccncc2Cl)CC1 390825812 FORRDDBUVKBXIJ-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCOC(C)C)[C@H]1O 585289234 OKHMMCAHQHSVBW-CGTJXYLNSA-N 307.434 2.670 0 40 DFAB Cc1cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)no1 55028288 DGPRKCGTBLJKJC-UHFFFAOYSA-N 320.437 2.579 0 40 DFAB Cc1cnn(C2CN([C@H](C)c3nc(-c4cccs4)no3)C2)c1 69702727 BXIZVAUOJMMBNH-LLVKDONJSA-N 315.402 2.921 0 40 DFAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)sc2ccccc21 74783876 ZIYSWWIAMPBQRC-GFCCVEGCSA-N 304.415 2.854 0 40 DFAB CC1CCC(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1 83692927 VVGGLUFIGWAYAP-DQPZFDDXSA-N 324.465 2.935 0 40 DFAB CN(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 40461238 KVLYRCMIRPKXMB-LLVKDONJSA-N 308.230 2.612 0 40 DFAB CC(=O)NCCCS[C@@H]1CCCN(c2ccc(C)cc2)C1=O 89633431 FUEYQZVOSFGFFO-MRXNPFEDSA-N 320.458 2.750 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1ccoc1 89885134 PVYOHVRMRKANPN-UHFFFAOYSA-N 301.129 2.790 0 40 DFAB OC[C@@]1(Cc2ccc(F)cc2)CN(C2CCCCC2)CCO1 1615142370 HPWLDSAFSLTFEE-GOSISDBHSA-N 307.409 2.764 0 40 DFAB CCCCN(C)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195275 BQFPQQXHSOQUIK-ZDUSSCGKSA-N 323.824 2.887 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2cnc3ccsc3c2=O)c1 12930223 GHUHVZFUVIELSE-UHFFFAOYSA-N 313.382 2.714 0 40 DFAB O=c1c2ccccc2nc(O)n1-c1ccccc1OC(F)(F)F 15424784 SZUUQROHRZEYNK-UHFFFAOYSA-N 322.242 2.990 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 1889070754 AKQWPUATKAKMSZ-JTQLQIEISA-N 315.339 2.841 0 40 DFAB Cc1cc(C)n(-c2nccnc2N2CCc3ccccc3C2)n1 1889168596 CHGNAFQZPDRIAV-UHFFFAOYSA-N 305.385 2.842 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3O2)c1 30274057 WRDHSPPVAVMUAE-KZULUSFZSA-N 324.380 2.826 0 40 DFAB Cc1ccc(OCC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4851973 ADOYFHCJGNRSEX-UHFFFAOYSA-N 324.336 2.858 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCc3ccccc3C2)[C@@H]1C 15254094 MDYDBIHOMZRXRP-RKVPGOIHSA-N 300.446 2.986 0 40 DFAB COC(=O)CCCC(=O)c1ccc(Br)c(OC)c1 575362400 YRJYRSXSAZRUNG-UHFFFAOYSA-N 315.163 2.984 0 40 DFAB Sc1nc(NCCCN2CCCCC2)c2ccccc2n1 575614930 CGUFDNXKAPIURT-UHFFFAOYSA-N 302.447 3.206 0 40 DFAB CCc1nnc(NC(=O)CSC(=O)c2ccccc2)s1 208230 JCDTUZHCKWYIII-UHFFFAOYSA-N 307.400 2.613 0 40 DFAB Cc1cccc(NC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 240235 QLEGWPDWXNOEIY-GJZGRUSLSA-N 323.396 2.808 0 40 DFAB CCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 339893 JZDJBRGCSCRDAR-BFUOFWGJSA-N 309.365 2.760 0 40 DFAB COCC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 69438237 KMWWKRFFVSWHGB-UHFFFAOYSA-N 313.357 2.593 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1 69489783 UXDJITOLFLYQJH-IRXDYDNUSA-N 302.418 2.532 0 40 DFAB CCOC(=O)C(OCc1ccccc1)(C(=O)OCC)C(C)C 1872871 LRMLTYOJCFBKLZ-UHFFFAOYSA-N 308.374 2.724 0 40 DFAB in-vitro CCOP(=O)(OCC)[C@@H](NC=O)C(Cl)(Cl)Cl 2391992 NRUGLNWTGHPOHD-ZCFIWIBFSA-N 312.517 2.695 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)NC1CCCCCC1 6085619 AJLYDPGXGKGNSP-UHFFFAOYSA-N 304.390 2.863 0 40 DFAB OC1(c2cccnc2)[C@@H]2CCC[C@@H]1CN(Cc1ccccn1)C2 100728396 JBCQMBSZQJMCAO-IAGOWNOFSA-N 309.413 2.596 0 40 DFAB Cc1c(C(=O)NCC(F)(F)F)cnn1-c1ccccc1F 32903070 IKQVIVJEIYTAAL-UHFFFAOYSA-N 301.243 2.612 0 40 DFAB CSc1cccc(NC(=O)COC(=O)c2cccnc2)c1 10040760 NOHPBRJABMADQZ-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB CCN(CC)[C@H](CNC(=O)CN1CCC[C@H](C)C1)c1ccco1 52867251 HERVYXKBLZHRFF-JKSUJKDBSA-N 321.465 2.511 0 40 DFAB CC(=O)c1ccc(C(=O)NCCN(C)Cc2ccccc2)s1 53348662 XWUUCGVSVWYRTJ-UHFFFAOYSA-N 316.426 2.813 0 40 DFAB Oc1c([C@H](c2ccccc2)N2CCCC2)sc2ncnn12 41637750 VEDCBOJVTWRIIL-LBPRGKRZSA-N 300.387 2.682 0 40 DFAB CN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 12237439 YRDTYKMKYSSNSK-UHFFFAOYSA-N 316.744 2.948 0 40 DFAB COc1cc(CNCc2ccc(F)cc2)cc2c1OCCO2 22773176 OTLYKDFSPQVGCF-UHFFFAOYSA-N 303.333 2.895 0 40 DFAB C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 104101328 INFMCOUPWJSICA-YXWQFLTLSA-N 310.401 2.822 0 40 DFAB O=C1COc2c(cccc2C(=O)N2CC[C@@H](c3ccccc3)C2)N1 104341766 SHIZRMSYQDQVLF-CQSZACIVSA-N 322.364 2.647 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc(C)ccc2C)CC1 24471086 HFXDEIHNMAXQBY-UHFFFAOYSA-N 304.390 2.654 0 40 DFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(OC(F)F)c(F)c1 47713786 UCQLSWSXKKVXAB-VIFPVBQESA-N 304.268 2.728 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1 25309960 JCJVIWAJOHNULO-QGZVFWFLSA-N 312.369 2.908 0 40 DFAB COc1cc(F)ccc1NC(=O)c1ccc(-n2cncn2)cc1 25310598 TYJYEUITTCQJKQ-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB Clc1snnc1CSc1nnnn1C1CCCC1 35164236 WGKJHESYSUZBQB-UHFFFAOYSA-N 302.816 2.585 0 40 DFAB C[C@H]1OCC[C@@H]1[S@](=O)Cc1csc(-c2ccccn2)n1 110693055 FEYNKBZKVIZKDC-FBWDIHGXSA-N 308.428 2.631 0 40 DFAB C[C@@H]1CCc2c(sc(NC(=O)c3ccccn3)c2C(N)=O)C1 27931796 YWOIAELNEUUHEY-SECBINFHSA-N 315.398 2.619 0 40 DFAB Cn1cc(-c2nc(C(=O)Nc3cccc4cn[nH]c34)cs2)cn1 44958775 ZCXNWTKAOMOGAD-UHFFFAOYSA-N 324.369 2.672 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c2cnn(C(C)C)c2n1 27885856 XGODWBUGURALGE-SWLSCSKDSA-N 316.405 2.618 0 40 DFAB Cc1cccc(CCNC(=O)c2ccc(Cn3cncn3)cc2)c1 58329305 BGPKUYVWNHEYMO-UHFFFAOYSA-N 320.396 2.607 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1CN1CCCC1 58365193 LNLSBGASKQLHSB-INIZCTEOSA-N 311.429 2.797 0 40 DFAB CO[C@@H](C)CC(=O)N1CCC(c2nc3ccccc3o2)CC1 58330911 IGZNTCRFCNWODD-LBPRGKRZSA-N 302.374 2.959 0 40 DFAB CCOC(=O)CCC(=O)Nc1cccc(NC(=O)C(C)C)c1 9231682 JGIAZEVTPMLKEN-UHFFFAOYSA-N 306.362 2.563 0 40 DFAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 3353584 KPISCCBVCZNQPO-JTQLQIEISA-N 304.177 2.625 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)nc1 3470798 SWTWREPAWGVCNO-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CCc1nc(CCNC(=O)c2ccc(C(=O)OC)s2)cs1 69510509 WRELFJXKJRYFIX-UHFFFAOYSA-N 324.427 2.526 0 40 DFAB CCCCc1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1 12975458 KSTPNRSXWGKYEI-CQSZACIVSA-N 300.402 2.661 0 40 DFAB COC(=O)N1CCC[C@@H](NC(=O)Nc2ccccc2SC)C1 69593415 TVFHGERSKSOSBT-LLVKDONJSA-N 323.418 2.761 0 40 DFAB O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COCCO1 49431976 WVXZZVDAATXPAO-LBPRGKRZSA-N 316.184 2.514 0 40 DFAB C[C@H](NCc1nnc(Cc2ccccc2)o1)[C@H](C)n1cccn1 69948394 APBSLVCLHGJYOF-KBPBESRZSA-N 311.389 2.596 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 69981515 SERYZCFDBZRPMC-ZDUSSCGKSA-N 300.362 2.534 0 40 DFAB COc1cccc(CC(=O)Nc2cc(OC)ccc2OC)c1 6396028 XOESGOLTBFEJCT-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB COc1ccc(NC(=O)CSc2nccn2C)cc1Cl 6370181 CPDCWBDXFBSMMN-UHFFFAOYSA-N 311.794 2.813 0 40 DFAB CNC(=O)NC(=O)COc1ccc(-c2ccccc2)cc1Cl 6346197 JJWKFXGOIKZKDW-UHFFFAOYSA-N 318.760 2.841 0 40 DFAB O=c1/c(=C\c2ccc(F)cc2F)sc2nc3ccccc3n12 6343710 PBCVSGZIJGYBBV-VGOFMYFVSA-N 314.316 2.735 0 40 DFAB O=C(Cn1cnc2cc3c(cc21)OCCCO3)Nc1ccccc1 14000639 NLNBRANGPZILAZ-UHFFFAOYSA-N 323.352 2.836 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cccc(Br)c1 14285859 ZSTSYAMRLMMCGM-BETUJISGSA-N 320.186 2.900 0 40 DFAB c1ccc(Cc2nnc(N3CCNCC3)c3ccccc23)cc1 5518839 FAUTUEONNKGIOH-UHFFFAOYSA-N 304.397 2.630 0 40 DFAB Cc1cccn2c3c(c(=O)nc12)[C@H](c1cccc(F)c1)CC(=O)N3 4721334 VGYYTIOFTJCSMJ-ZDUSSCGKSA-N 323.327 2.616 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1csc(C(C)C)n1 67027531 ATGJUUAPRXJYPT-LBPRGKRZSA-N 323.418 2.752 0 40 DFAB O=S(=O)(NCCCOC1CCCCC1)c1ccc(F)cc1 15359763 IBFOJZJHLGGXQO-UHFFFAOYSA-N 315.410 2.843 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCOc2ccccc21 7922503 JDNWPQCMAGAFDO-CYBMUJFWSA-N 320.389 2.541 0 40 DFAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 7909084 FPILTFYSBQQTEZ-AWEZNQCLSA-N 324.380 2.680 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccn(C)c(=O)c1 71185622 VHDPTLIOWGZLGP-AWEZNQCLSA-N 320.392 2.900 0 40 DFAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 8235151 GYQMGQYJNIOOHN-HIFRSBDPSA-N 318.417 2.632 0 40 DFAB CCc1noc(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)n1 70038002 UDIVHAJUFUTONC-HNNXBMFYSA-N 321.396 2.963 0 40 DFAB Cc1ccc(OCCNC(=O)CCc2nc3ccccc3[nH]2)cc1 16972292 ZULUBYDLSRJWRW-UHFFFAOYSA-N 323.396 2.999 0 40 DFAB CS(=O)(=O)/N=C(\O)CN(Cc1ccccc1)c1ccccc1 91437152 KKMSIRFXSHDLNK-UHFFFAOYSA-N 318.398 2.609 0 40 DFAB O=C(c1ccccc1)c1cccc(NC(=O)N2CC[C@@H](O)C2)c1 96009307 QXOWMTFYCLYDGH-MRXNPFEDSA-N 310.353 2.516 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1noc2c1CCCC2 89930505 MYGPPHGOYPIKRY-DLBZAZTESA-N 317.433 2.529 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1C 71796537 JGWGGAAKDVVTOJ-HNNXBMFYSA-N 300.406 2.799 0 40 DFAB COCCCn1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)n1 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315.505 2.720 0 40 DFAB O=C(NCCO)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95978339 CSGMWZSYDTZTKR-JTQLQIEISA-N 310.703 2.625 0 40 DFAB CS(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 95944911 YHPGGENDJIYQCJ-NSHDSACASA-N 301.433 2.525 0 40 DFAB COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)C1 89656517 FWDTXHGKFBMPBM-MEDUHNTESA-N 324.446 2.582 0 40 DFAB COC(=O)c1cn([C@@H](C)C(=O)N2CCCC2)c2ccccc12 409199088 NQJCSUXTEQLKHM-LBPRGKRZSA-N 300.358 2.611 0 40 DFAB Cc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218548808 KEVQLNPQEAOFLR-OWCLPIDISA-N 321.829 2.915 0 40 DFAB Cc1nn(C)c2c(=O)n(Cc3cccc4ccccc34)cnc12 32649099 LZTRZCYAHOTGFC-UHFFFAOYSA-N 304.353 2.640 0 40 DFAB CC(C)CO[C@H](C)c1noc(Cn2c(=O)oc3ccccc32)n1 72919797 RUEBEAHCPZFACE-LLVKDONJSA-N 317.345 2.759 0 40 DFAB COC(=O)c1oc2ccccc2c1CSc1nnc(N)s1 32801575 AFWROPUQWNTAAK-UHFFFAOYSA-N 321.383 2.945 0 40 DFAB COc1ccc(-c2cc(C(=O)NCCC(C)C)n(C)n2)cc1 35276972 DWYDQBCXBJTYOE-UHFFFAOYSA-N 301.390 2.872 0 40 DFAB CSC[C@H](C)C(=O)N1CCC(COc2ccccn2)CC1 73966970 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C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccco1 30276602 ZBPKVJNGZQAYRZ-LBPRGKRZSA-N 324.388 2.983 0 40 DFAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 1565543133 ANEFQCKZHXZRDR-LPHOPBHVSA-N 314.429 2.682 0 40 DFAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCc3c(O)cccc32)cc1 1586164220 JTAAXPZLKANXSL-MRXNPFEDSA-N 322.364 2.934 0 40 DFAB c1ccc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 2298080856 HCLAAUBSQVGTMC-CQSZACIVSA-N 309.373 2.617 0 40 DFAB Cc1cc(N2CCC[C@@H](COc3nccs3)C2)nc(C)n1 2298182817 LOAMYGPXXBETLF-CYBMUJFWSA-N 304.419 2.845 0 40 DFAB NC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1cccs1 40089846 QTQCNCWMHJIILT-CMDGGOBGSA-N 312.394 2.840 0 40 DFAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)c2ccccc2)C1 40506341 WUKPEPKMNVGWSC-NVXWUHKLSA-N 316.445 2.801 0 40 DFAB CC[C@@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(Cl)c1 40528189 LPGCPWUSNVOKGK-CYBMUJFWSA-N 313.810 2.503 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)no1 40520507 RBOHJSJSKIONAI-UHFFFAOYSA-N 318.398 2.732 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 32025480 YGUKQNZYOUAENX-KBXCAEBGSA-N 323.396 2.756 0 40 DFAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCCCC1 101373493 DPMAGAOZMVASIX-UHFFFAOYSA-N 320.433 2.707 0 40 DFAB Cc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(F)cc1 20739730 BEOMAKZJDRKWQV-UHFFFAOYSA-N 322.303 2.827 0 40 DFAB C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 60379301 CFUDANNUJSGKAM-MRXNPFEDSA-N 315.760 2.702 0 40 DFAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1[nH]nc2ccccc12 101414375 LYKGSQMBFNCIFS-CZUORRHYSA-N 312.417 2.557 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](Nc1ncnc3ccsc13)CC2 70005721 FTPNILLLOBMBOG-SNVBAGLBSA-N 314.418 2.833 0 40 DFAB Cc1cccc([C@@H]2NC(=O)N3[C@H](c4cccc(C)c4)NC(=O)N23)c1 1716039 UBSUVQRUHUFQSU-HZPDHXFCSA-N 322.368 2.966 0 40 DFAB COc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4135036 ARLNYGOQDMCXLP-UHFFFAOYSA-N 310.309 2.793 0 40 DFAB CO[C@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@H]1Oc1c(C)cc(C)cc1C 4829713 GGLPLAULEGCCCC-DZUCGIPZSA-N 322.401 2.882 0 40 DFAB CCN(CC)C(=O)c1cc(Br)c(OC)c(OC)c1 6205123 NPUZNEBDPIFQLR-UHFFFAOYSA-N 316.195 2.948 0 40 DFAB CCCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 6876399 BJULHMBUIDMFNK-UHFFFAOYSA-N 306.337 2.914 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1c(C)noc1C)CC2 32994816 KZQQEUOWESQRJO-UHFFFAOYSA-N 316.357 2.507 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1 32912597 FOCPVZYLFBLDOY-HNNXBMFYSA-N 304.321 2.689 0 40 DFAB Cc1cc(C)cc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)c1 552752 YJLVMNGVJGQGFA-OAHLLOKOSA-N 311.385 2.696 0 40 DFAB NC(=O)N[C@H](CC(=O)N1CCCCCC1)c1ccccc1Cl 22404788 RVINVGHKXMZQMK-CQSZACIVSA-N 323.824 2.842 0 40 DFAB CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cc(F)ccc1C)C2 108533960 VURXJFSRBAHPCK-SJLPKXTDSA-N 304.409 2.872 0 40 DFAB Cc1cc(F)ccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23683438 QBPPHCQOBADLIY-IUODEOHRSA-N 308.378 2.527 0 40 DFAB COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)c(OC)c1 3052317 TWAAWUKFJAWLNP-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3OCc2ccccn2)cn1 107265958 HICUTCXPQKBTTH-NJAFHUGGSA-N 323.396 2.605 0 40 DFAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1C(=O)c1sc(C)nc1C 100189547 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300.362 2.813 0 40 DFAB COc1ccc(NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 226751574 QNIDNHUFECBVGI-MSOLQXFVSA-N 310.397 2.979 0 40 DFAB CC(C)(C)SCCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 225785954 YWXBUGZNOOTUML-ZFWWWQNUSA-N 310.507 2.993 0 40 DFAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCCCC1 225723995 VGXFURGDMXHQRA-UHFFFAOYSA-N 304.777 2.667 0 40 DFAB COc1cc(Cl)nc(NC(=S)NCc2ccc(C)o2)n1 225916604 VRKGJMZDYXYLMY-UHFFFAOYSA-N 312.782 2.527 0 40 DFAB C[C@@]1(NCc2cc(C(N)=O)cs2)CCc2ccccc2C1 95427547 KUJBNTCQUPZSNK-QGZVFWFLSA-N 300.427 2.884 0 40 DFAB COC(=O)CNC(=O)c1nc(C)sc1-c1ccccc1Cl 95477832 UOHCVVFGEBVELF-UHFFFAOYSA-N 324.789 2.675 0 40 DFAB CCc1cc(CNC(=O)NCCOc2cccc(Cl)c2)on1 96421439 WJOBNBPLWUBWGK-UHFFFAOYSA-N 323.780 2.769 0 40 DFAB NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc2ccccc2c1 96492870 SSQFVRSLRIYGSS-KRWDZBQOSA-N 310.397 2.639 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@@](C)(O)c1ccccc1Cl 97378974 VDTQEHCPVSQYSQ-MRXNPFEDSA-N 322.792 2.511 0 40 DFAB CC[C@@H](N[C@H](CC)c1ccc(F)cc1)C(=O)N1CCOCC1 96479170 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O=C(OCC(=O)c1ccc(-c2ccccc2)cc1)C1=COCCO1 2656904 OTMDPDPJXHKUOP-UHFFFAOYSA-N 324.332 2.968 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)NCc2ccco2)cc1 2621657 SWBXEVYGUWIREU-UHFFFAOYSA-N 304.371 2.647 0 40 DFAB CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 1621914 IUTUDKMGBFWYHK-CVEARBPZSA-N 323.348 2.523 0 40 DFAB CC(C)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 3020053 CCPXDXZMOBTZQZ-UHFFFAOYSA-N 304.434 2.876 0 40 DFAB O=C(Nc1nc2ccccc2s1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 3150067 DYFKMYSUQISRAG-GAQJKIJGSA-N 314.366 2.758 0 40 DFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1 3537669 JGHFAKUTBJTIQU-UHFFFAOYSA-N 320.757 2.766 0 40 DFAB Cc1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(N)n1 52489706 XJXXUBJDDJJLMT-CYBMUJFWSA-N 304.781 2.599 0 40 DFAB Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCc1ccco1 2780515 KYYTXKDGLWMBHN-UHFFFAOYSA-N 307.659 2.615 0 40 DFAB OCC1(NCc2cnc(C3CCCCC3)s2)CCOCC1 84041257 CSGDXAHWZHBVJA-UHFFFAOYSA-N 310.463 2.822 0 40 DFAB COc1cc(CNCCO)ccc1OCc1ccc(C)cc1 8550137 FSMOCORZGYPUKT-UHFFFAOYSA-N 301.386 2.665 0 40 DFAB O=C(COC1CCCC1)Nc1ccc(-n2ccnc2)c(F)c1 54225890 GZIQVWCRPUHDTK-UHFFFAOYSA-N 303.337 2.909 0 40 DFAB CC1(C)CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 112682588 NXWAMBSCEKJRCJ-UHFFFAOYSA-N 316.445 2.781 0 40 DFAB O=C(c1cc(Br)c2c(c1)OCO2)N1CCCCC1 55092812 KFCKRLJYCFMAPI-UHFFFAOYSA-N 312.163 2.804 0 40 DFAB CCCOC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100616211 FRUMFHGJWOJNOY-GJZGRUSLSA-N 315.369 2.933 0 40 DFAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)C(C)C)cc2)no1 12568276 LLSKKSXYPVLBOT-NSHDSACASA-N 303.362 2.731 0 40 DFAB Cc1nnc(NC(=O)N(C)CCOc2ccccc2C)s1 43408686 SAVKDHYHBXKLHI-UHFFFAOYSA-N 306.391 2.698 0 40 DFAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25379808 UHYUPFCYGQRZGX-GFCCVEGCSA-N 316.332 2.910 0 40 DFAB COCc1ccccc1CNC(=O)c1cc(OC)cc(OC)c1 25304146 IKURRWYTJZIORP-UHFFFAOYSA-N 315.369 2.780 0 40 DFAB Cc1ccccc1OCCNC(=O)c1cc(=O)c2ccccc2o1 55954522 ZHSZRWVISLPQIB-UHFFFAOYSA-N 323.348 2.910 0 40 DFAB O=C(Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1CC=CCC1 56039270 OHYXFWQUVZMNEW-QGZVFWFLSA-N 314.429 2.856 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C1 43993053 MAJWKPAEKFHCNF-STQMWFEESA-N 303.406 2.898 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1ccc(C)c2ncccc12 57450797 DESVATLLMAGJEK-CYBMUJFWSA-N 302.374 2.923 0 40 DFAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 20457654 JYXVIKLLYXFIDA-LBPRGKRZSA-N 303.333 2.918 0 40 DFAB CN(c1ccccc1F)S(=O)(=O)c1cc(F)cc(F)c1 58342520 YWSYSTIRDLQQRN-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB NC(=O)c1ccccc1NCc1nc(-c2ccsc2)no1 10939604 KFJABXABYFNSIU-UHFFFAOYSA-N 300.343 2.509 0 40 DFAB CCc1n[nH]c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 36713032 COAONKDXFWQPCA-JTQLQIEISA-N 322.409 2.645 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc[nH]c3C)C2)c1 81842955 SCQVGUIJSZJYNM-CYBMUJFWSA-N 314.385 2.970 0 40 DFAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCC1 48366524 AVILAENOWWDJCW-MRXNPFEDSA-N 300.446 2.952 0 40 DFAB COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)cc1 3407719 DOKSWNFUHHGMFH-MDZDMXLPSA-N 315.325 2.792 0 40 DFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCCCCC1 12935733 ZNZNFFKAKATLKO-CQSZACIVSA-N 315.417 2.626 0 40 DFAB Cc1ccc(CN(C)CCCc2nnnn2-c2ccccc2)o1 69527857 WAFJGIBZOQPCRE-UHFFFAOYSA-N 311.389 2.628 0 40 DFAB CC1=NN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@](O)(C(F)(F)F)C1 6394332 VRQAYXGVHSXXGN-YRGRVCCFSA-N 312.291 2.649 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)CCSc1ccccc1F 69669041 KIESMQAYWCYTGG-LBPRGKRZSA-N 324.421 2.564 0 40 DFAB Cc1ccc(-c2csc(=O)n2CC(=O)NC2CCCC2)cc1 14267189 PHEDZVGLUBTROF-UHFFFAOYSA-N 316.426 2.944 0 40 DFAB CN(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1F 65850370 IOTVFKCGPZZOKC-UHFFFAOYSA-N 306.366 2.873 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 69872401 ZTTDQFHBWMNPDS-BRWVUGGUSA-N 310.401 2.554 0 40 DFAB CSc1ncccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 18156260 ZBZQHGSFMJZUCD-UHFFFAOYSA-N 316.382 2.804 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2noc(-c3ccccc3)n2)c1 69951303 RSCNWKDGNYVBQO-INIZCTEOSA-N 323.400 2.906 0 40 DFAB O=S(=O)(N1CC=C(c2ccccc2)CC1)N1CCCCCC1 14731073 LNCTUBGMPKSTQT-UHFFFAOYSA-N 320.458 2.897 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1 7387441 UTBIAITYGQQHDQ-UHFFFAOYSA-N 320.414 2.740 0 40 DFAB CCCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)n[nH]c1=O 7530016 NHJGYCBDBSOEIC-LBPRGKRZSA-N 319.430 2.962 0 40 DFAB Cc1ccc(C)c(N2CCN(CCN3CCCCC3)CC2)c1 22584637 GASMLERTNCQZBV-UHFFFAOYSA-N 301.478 2.911 0 40 DFAB CC(=O)c1cccc(O[C@H](C)C(=O)N(C)c2nccs2)c1 68732988 NFQJNYVQDSQLRF-LLVKDONJSA-N 304.371 2.776 0 40 DFAB COCc1csc(NS(=O)(=O)c2cc(C)c(C)s2)n1 91051489 PVBPCGMAYPCCGL-UHFFFAOYSA-N 318.445 2.769 0 40 DFAB CC(=O)Nc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 9834638 KSIKKKUHMICEBR-UHFFFAOYSA-N 317.370 2.865 0 40 DFAB O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cnccn1 96002315 UGKPJONMBFTMRE-LLVKDONJSA-N 317.217 2.788 0 40 DFAB COc1nc(C)cc(N[C@H](C)c2ccc(-n3cncn3)cc2)n1 96003750 KXCSSKJUDQMKEA-GFCCVEGCSA-N 310.361 2.547 0 40 DFAB O[C@H](CN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 19785102 ZCXVQJURNOVAGG-GOSISDBHSA-N 300.377 2.681 0 40 DFAB C[C@H](C(=O)O)[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 97035757 JWAIMOKKQGOROW-CABZTGNLSA-N 303.280 2.907 0 40 DFAB COc1ccc(CC(=O)c2cc(OC)c3c(c2)OCO3)cc1 96325934 XVJQXXXIBOGCER-UHFFFAOYSA-N 300.310 2.858 0 40 DFAB biogenic Cc1nsc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 96455866 IAJRXAJWTBVATL-STQMWFEESA-N 324.494 2.562 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2csc(C)n2)c1 71866069 MGNAZTGMMZITEM-ZDUSSCGKSA-N 304.419 2.651 0 40 DFAB c1cnn(-c2ccc(CN3CCCC[C@@H]3Cn3cncn3)cc2)c1 71878682 DCJCSBDUANQFLG-GOSISDBHSA-N 322.416 2.519 0 40 DFAB CN1CC[C@@H](Sc2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O 71909279 HAEJCXZKQLGOKN-SNVBAGLBSA-N 315.320 2.905 0 40 DFAB CC(C)NC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329027 ZHNXOPVEOWTJQR-UHFFFAOYSA-N 308.179 2.977 0 40 DFAB O=C(Nc1ccc(-c2ccccc2)cc1)N(CCO)CCCO 76089402 NTONIPSJVFHVQJ-UHFFFAOYSA-N 314.385 2.562 0 40 DFAB C[C@@H](CCC(C)(C)C)NC(=O)NCC1(N(C)C)CCOCC1 76978956 AVVBKIAUOVIHAS-AWEZNQCLSA-N 313.486 2.611 0 40 DFAB Cc1ccc(O)c(CNc2ccc(-n3cncn3)c(Cl)c2)n1 95428872 UCUVRSUBDSTFLU-UHFFFAOYSA-N 315.764 2.942 0 40 DFAB O=C(O)[C@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 88436153 MIRUXQRYAMHYBR-ZJUUUORDSA-N 307.312 2.678 0 40 DFAB C[C@@H]1CC[C@H](NC(=O)NCCCOC2CCOCC2)[C@H](C)C1 78941811 QIMFNAIROQJQAH-FMKPAKJESA-N 312.454 2.696 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)NCCc2csc(C)n2)C12CCC2 78951545 RSNWZFCBCPEISC-KBPBESRZSA-N 323.462 2.641 0 40 DFAB COC[C@H](NC(=O)c1c(C)c2ccccc2oc1=O)C(C)C 79069931 FQJGJTDORGSTKU-ZDUSSCGKSA-N 303.358 2.502 0 40 DFAB COC(=O)[C@@H](S[C@H](C)CO)c1cccc(Br)c1 95980496 ABGYEUHZCFECIF-KCJUWKMLSA-N 319.220 2.777 0 40 DFAB Cc1noc(COCC(=O)N(CC(C)C)C2CCCCC2)n1 74437192 ZRDYEQZLMXSSBJ-UHFFFAOYSA-N 309.410 2.712 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[C@@H]1c1ccc(F)cc1 75092555 CAEHGDMJABMDRM-ZJPYXAASSA-N 311.356 2.704 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2ccco2)c(OC)c1OC 409408463 CXGPOJFQIHGQFE-VQHVLOKHSA-N 317.341 2.635 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@@H]2CN(C)C)n1 78505387 COALIHYECXFMEG-GFCCVEGCSA-N 324.856 2.810 0 40 DFAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C1CCCCC1 79101956 SRVNGZSMECJASH-SNVBAGLBSA-N 300.376 2.809 0 40 DFAB CCOCCNC(=O)c1ccc(C)c(Oc2ccncc2)c1 79361583 QQSXOGYQDSUIMR-UHFFFAOYSA-N 300.358 2.949 0 40 DFAB O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 535529342 MMANBUQWIVBBOA-VNQPRFMTSA-N 310.401 2.966 0 40 DFAB COc1ccccc1NC(=O)COc1c(C)cccc1C(=O)O 217721955 VYVBJPMMJJXZKQ-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CC(C)N(CC(=O)O)CC1CCN(Cc2ccccc2)CC1 79393432 JLUOKOYYQNGMFH-UHFFFAOYSA-N 304.434 2.694 0 40 DFAB O=C(c1cccnc1)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72367643 LUZATGCETBZZCA-ZDUSSCGKSA-N 306.369 2.663 0 40 DFAB Cc1cc(C)cc(OCCCSc2nc(N)cc(N)n2)c1 31819958 XCOUUYUPNQNYPO-UHFFFAOYSA-N 304.419 2.819 0 40 DFAB O=C(NCc1ccccn1)c1snnc1-c1ccc(F)cc1 225777634 IEYJFKVRFLTQTP-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB COc1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42774352 QSVRKLIMXDJGRZ-SNVBAGLBSA-N 300.196 2.836 0 40 DFAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccco1 225732971 GJLRZGWHDJWNGW-UHFFFAOYSA-N 316.744 2.564 0 40 DFAB Cc1c[nH]cc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC(C)(C)C)C2 569474225 LKGWIYCMSJYTGJ-SCRDCRAPSA-N 304.390 2.658 0 40 DFAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224665811 SCOXWRXEDWVXQQ-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COC(C)C 224722401 YJXZYPRGAGFFBE-CYBMUJFWSA-N 309.406 2.775 0 40 DFAB COc1cccc(C(=O)NC[C@H](O)c2ccc(Cl)s2)c1 49924841 ABVZIDNNPOMKLD-NSHDSACASA-N 311.790 2.874 0 40 DFAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 222488183 XJDYMPVMDYGLSM-JMWBNMSQSA-N 315.369 2.793 0 40 DFAB CC1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225735720 FXXGFIIUFRABRZ-UHFFFAOYSA-N 318.804 2.913 0 40 DFAB O=C(O)c1cc(I)c(F)c(Cl)c1F 147562878 JWQVFBFEPIRTGE-UHFFFAOYSA-N 318.444 2.921 0 40 DFAB CC(C)(C1=CCCCC1)c1noc(C[C@@H]2CCC(=O)NC2)n1 333857237 QSXBXKBXJUONTP-LBPRGKRZSA-N 303.406 2.916 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCOC[C@H]1CC1CCC1 581016805 GYWJNRJAZPODMA-OAHLLOKOSA-N 306.406 2.642 0 40 DFAB Cc1ncsc1CN1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042396 HYGCFXYSHICFMJ-FMKPAKJESA-N 308.447 2.610 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cccc3[nH]cnc23)s1 96411799 JSKCJDVMLGOVCC-UHFFFAOYSA-N 301.327 2.663 0 40 DFAB CCOC(=O)c1ccc(NCc2cc(OC)ccc2OC)cn1 95990289 VIRUOONEFZUNRR-UHFFFAOYSA-N 316.357 2.888 0 40 DFAB CC(=O)NC(C)(C)c1noc([C@@H](C)Sc2ccccn2)n1 96474405 SZWNJXLLBYCBKW-SECBINFHSA-N 306.391 2.689 0 40 DFAB c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)ccn1 96057009 DUKHZAFUFCEBLM-RTBURBONSA-N 316.445 2.879 0 40 DFAB CN1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c2ccccc12 257227943 FRQSQMWLFHPMRK-HZPDHXFCSA-N 312.417 2.652 0 40 DFAB COc1ccccc1NC(=O)CCCSc1cnn(C)c1 257173295 IZLFJYYUQUNUJH-UHFFFAOYSA-N 305.403 2.940 0 40 DFAB CO[C@H]1CCN(c2ccc(C(=O)Nc3nccs3)cc2)C1 253403903 QQKGOKYZYJVKTA-ZDUSSCGKSA-N 303.387 2.621 0 40 DFAB c1cncc(CN2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)c1 257287658 PQZFKMJDIGPHEP-INIZCTEOSA-N 306.373 2.599 0 40 DFAB CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)ccn1 257256702 KMMRMSDYPCHFRA-FUTAKVPZSA-N 322.412 2.920 0 40 DFAB C[C@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)C1CCC1 252539170 NUXLAFCCZFRSDB-WMLDXEAASA-N 315.461 2.984 0 40 DFAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2cccs2)n1 257282385 OTODCTZKVJOUNH-OAHLLOKOSA-N 302.447 2.937 0 40 DFAB CC(C)N1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257213905 CJPOEUCQBVIDAF-ZDUSSCGKSA-N 318.421 2.800 0 40 DFAB CCc1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1F 97034207 GESSKJXZNAZEIG-CMPLNLGQSA-N 307.369 2.506 0 40 DFAB CC(C)(C)C[C@H](NC(=O)N1CCC(CO)CC1)C(F)(F)F 97136405 QGZNJFASYJREEC-NSHDSACASA-N 310.360 2.767 0 40 DFAB Cc1ccc(S(=O)(=O)CCn2cnc(Cl)c2Cl)cc1 161130 ZFCNLAYUCPDECO-UHFFFAOYSA-N 319.213 2.972 0 40 DFAB CCOC(=O)Cn1c(Br)nc(Cl)c1Cl 161149 WAWSCWUMEQDCMI-UHFFFAOYSA-N 301.955 2.516 0 40 DFAB O=S(=O)(Cc1ccccc1)Nc1nc2c(s1)CCCC2 5364146 VYSJODDBAHDQBN-UHFFFAOYSA-N 308.428 2.964 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169354278 ZWQFPOZFWKRNRG-BZUAXINKSA-N 314.404 2.796 0 40 DFAB O=C(O)C[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CC1 104523902 YGIWVSXQWSXXRA-ZDUSSCGKSA-N 307.777 2.837 0 40 DFAB CCn1cncc1CN1CCC[C@](O)(c2ccc(F)cc2)CC1 12143569 TWFJGKVKUKBFCN-GOSISDBHSA-N 317.408 2.916 0 40 DFAB COc1ccc(CC(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13448711 PKRLCOKORJJZRC-UHFFFAOYSA-N 311.337 2.525 0 40 DFAB Cc1nc(C2CC2)nc(N2CCN(c3ccccn3)CC2)c1C 1888856825 SGDFTRXVNLQDHT-UHFFFAOYSA-N 309.417 2.692 0 40 DFAB O=C(NCC1CCCCC1)c1cn(Cc2ccc(F)cc2)nn1 2086952850 WZHZAVRCVRYZOP-UHFFFAOYSA-N 316.380 2.776 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)C3CC(F)(F)C3)C[C@H]21 1565544595 MQVWRIHCIZNAHA-MFKMUULPSA-N 321.371 2.743 0 40 DFAB COC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C)C(=O)c1ccc(C)cc1 4062422 NQBGFMQBDPKNCW-MRVWCRGKSA-N 318.369 2.555 0 40 DFAB biogenic O=C(Cc1cccc2ccccc12)Nc1nnc2n1CCS2 10609980 XVVDBDNZZUZAJO-UHFFFAOYSA-N 310.382 2.718 0 40 DFAB O=C(NCc1cccs1)NCc1nccnc1-c1ccco1 575620194 RJWSVELCVXNITJ-UHFFFAOYSA-N 314.370 2.798 0 40 DFAB COC(=O)CC(=O)c1sc(-c2ccc(OC)cc2)nc1C 225523572 UZSLWNIKLYVGIF-UHFFFAOYSA-N 305.355 2.873 0 40 DFAB Nc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1 8703627 CGAYLSHTWLOFQN-UHFFFAOYSA-N 315.804 2.885 0 40 DFAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1C[C@H]2CC[C@H]1C2 102695740 OTCQRUMOFVHDIF-NHYWBVRUSA-N 308.385 2.974 0 40 DFAB COCCN(CC(=O)NC1CCCCCC1)Cc1ccccc1 40161824 XMXACPYSDNBEHL-UHFFFAOYSA-N 318.461 2.974 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 40159823 ZSAZHJNQQDOAHD-HIFRSBDPSA-N 324.380 2.606 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 50512958 OKYBEKSMNIMGRU-CQSZACIVSA-N 303.745 2.984 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1 40554130 CUOMTEXFMQJDQY-SECBINFHSA-N 314.307 2.691 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1cc(-c2cccnc2)on1 45881594 VAFPKAVBZFELEN-UHFFFAOYSA-N 312.354 2.934 0 40 DFAB c1csc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69741031 QLCPRTKLBMAQFY-ZDUSSCGKSA-N 318.446 2.763 0 40 DFAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1 413220 LWPUFULBPGWSPG-UHFFFAOYSA-N 320.418 2.709 0 40 DFAB CCCCN(CCCC)S(=O)(=O)N[C@@H](C)c1ccccn1 46033703 FXUKNHIGFQDUIH-AWEZNQCLSA-N 313.467 2.879 0 40 DFAB CNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 798546 IAJYLBKLXLQIIG-UHFFFAOYSA-N 322.408 2.952 0 40 DFAB CC(C)c1noc(CCCNC(=O)N(C)Cc2ccco2)n1 60330642 MMAVBJQGMKRUOS-UHFFFAOYSA-N 306.366 2.560 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1C 32601990 PGZQDYAKICGQTE-UHFFFAOYSA-N 307.371 2.900 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)c(C)c1 467128 CBQPORRRBQLQMW-UHFFFAOYSA-N 313.353 2.948 0 40 DFAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1F 101277671 PWOOGKIYSGUCPQ-LSDHHAIUSA-N 324.315 2.632 0 40 DFAB Cc1cccc(OCCNC(=O)c2cc3ccccc3oc2=O)c1 21785153 JOHGMMMLIGNRBX-UHFFFAOYSA-N 323.348 2.910 0 40 DFAB Cc1ncsc1C(=O)N1CCCN(Cc2cccs2)CC1 46786223 XJCBUJRZZPIJJA-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB Cc1ccn2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)nc2c1 46809503 LWNGPXSJPIANPH-HNNXBMFYSA-N 322.412 2.897 0 40 DFAB O=C(c1ccc(Br)s1)N1CCO[C@@H]2CCC[C@@H]21 42291113 ZORXNJRKHGDUTI-DTWKUNHWSA-N 316.220 2.904 0 40 DFAB CNC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041213 FVHSWNLPRYQZQJ-UHFFFAOYSA-N 311.168 2.563 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCN(Cc3cccnc3)CC2)c1 54485760 SLCGBMOSLCIWMZ-UHFFFAOYSA-N 309.413 2.656 0 40 DFAB Cc1ccc(SCCNC(=O)c2ccc[nH]c2=O)cc1C 23540490 DNULBTYMNWOKIF-UHFFFAOYSA-N 302.399 2.514 0 40 DFAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CCCCC1 12534823 GDSTWBHUSCEPRE-AWEZNQCLSA-N 315.417 2.626 0 40 DFAB Cc1cc(C)n2c(SCc3nccn3C(F)F)nnc2n1 12548289 VXVIFXCRMBRONW-UHFFFAOYSA-N 310.333 2.625 0 40 DFAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O 12544136 HIMCFNYUPINIAX-UHFFFAOYSA-N 323.352 2.730 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(F)c1 106661477 VBNBGAQWOCCAHC-HZPDHXFCSA-N 306.381 2.533 0 40 DFAB O=C(CCn1cncn1)N[C@H](Cc1ccccc1)c1ccccc1 25285862 CXIDWCVUZFFTRU-GOSISDBHSA-N 320.396 2.768 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(F)c1 26378888 XSFKYZYQYNIBQA-SWLSCSKDSA-N 308.378 2.527 0 40 DFAB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 100237494 IPDBSUZSHWFZDN-YFCNSXCBSA-N 324.163 2.826 0 40 DFAB CC(C)(C)c1ccccc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108356091 ORKNIDGJHVLEMF-KWCYVHTRSA-N 309.431 2.582 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12625809 LXVGPXOZENRORZ-UHFFFAOYSA-N 321.380 2.875 0 40 DFAB C[C@@H](O)CN1CCC(CN(C)Cc2ccc(Cl)s2)CC1 69658898 MWZDUOIQGMEPFU-GFCCVEGCSA-N 316.898 2.926 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NC1CCCC1 58014187 COOWSFGIWJHYMY-SECBINFHSA-N 311.332 2.534 0 40 DFAB COc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 10234913 DRZKCCOWOGJBQT-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccsc1 48252435 SCZQBVQAWBBUIQ-WCQYABFASA-N 318.398 2.823 0 40 DFAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCNC3=O)cc2)o1 48234604 SEIYQDFEMKWRDV-LBPRGKRZSA-N 313.357 2.609 0 40 DFAB C[S@@](=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1 12755837 UVAPAGJYDYSOMB-NRFANRHFSA-N 305.374 2.536 0 40 DFAB C[C@H]1CCCc2sc3nc(NCCCO)n4ncnc4c3c21 2449808 COQYJAYOFZZQPB-VIFPVBQESA-N 317.418 2.573 0 40 DFAB Cn1ncc2c(NCc3ccccc3CN3CCCC3)ncnc21 29078910 GRBDFOUMTRPNAJ-UHFFFAOYSA-N 322.416 2.571 0 40 DFAB O=C1NCCN(C(=O)C2CCCC2)[C@H]1c1ccccc1Cl 62689390 KXYYVVNYCVGBII-AWEZNQCLSA-N 306.793 2.530 0 40 DFAB O=C1/C(=C\c2ccccc2)N=C(S)N1C(=O)c1ccccc1 3886343 QGEFLPAGQLANGH-SDNWHVSQSA-N 308.362 2.996 0 40 DFAB C[C@H](Nc1nc(=O)c(Cc2ccccc2)n[nH]1)c1ccccc1 8739166 NTIKLOYBUNUWPK-ZDUSSCGKSA-N 306.369 2.929 0 40 DFAB CC[C@H](C)[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)O 13770270 LZSZJDHVNLQPGT-GWCFXTLKSA-N 312.797 2.681 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1ccccc1)C2=O 4514799 CHSKKCJICJAODC-SUMWQHHRSA-N 302.374 2.566 0 40 DFAB CC(C)[C@H]1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 14673586 DVZPYNHQPHDYJA-LLVKDONJSA-N 300.280 2.782 0 40 DFAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(N)=O 4871080 GBZHEISJPQHTDI-JTQLQIEISA-N 310.309 2.525 0 40 DFAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1O 409092664 VNSXIIDLCPDFLS-LCYFTJDESA-N 316.357 2.626 0 40 DFAB Oc1ccc(-n2nnnc2SC[C@H]2CC2(Cl)Cl)cc1 7293819 KZOBFGVDCUKVOR-SSDOTTSWSA-N 317.201 2.654 0 40 DFAB Cc1cc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)no1 7788715 DDMWGASJFPBIEY-UHFFFAOYSA-N 303.337 2.725 0 40 DFAB COC(=O)c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 9452937 BIJJYCQUPGHJBR-UHFFFAOYSA-N 316.309 2.790 0 40 DFAB Cc1csc2nc(CN(C)Cc3ccsc3)cc(=O)n12 9446055 HHJFPUWBZRACJF-UHFFFAOYSA-N 305.428 2.758 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@H]1Cn1cc(C)cn1)c1ccccc1 71869844 WSTYWQVTMGNRBZ-DLBZAZTESA-N 313.401 2.570 0 40 DFAB C[C@@H](Nc1nccc(C(F)(F)F)n1)C(=O)Nc1ccccc1 71899596 LRWITMOYCVCRPO-SECBINFHSA-N 310.279 2.935 0 40 DFAB CCn1/c(=N/C(=O)c2ccc(NC3CC3)nc2)[nH]c2ccccc21 83843345 NGUACGZLPOCSLF-UHFFFAOYSA-N 321.384 2.700 0 40 DFAB O=C(NCc1ccc(N2CCOC2=O)cc1)c1cc(Cl)c[nH]1 97084137 DKKKSGGFILGJGA-UHFFFAOYSA-N 319.748 2.555 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 97001642 HAAACIDBNVWNKF-LBPRGKRZSA-N 300.358 2.885 0 40 DFAB OCC1CCN(c2ccccc2NCc2cncs2)CC1 97048894 QENSBKFFKVZXRA-UHFFFAOYSA-N 303.431 2.964 0 40 DFAB Cc1[nH]ncc1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1 72234673 CKRJFVSOJFTJLK-ZDUSSCGKSA-N 301.394 2.515 0 40 DFAB CCOc1ccc(NC(=O)NC[C@@H](C)c2nccs2)cn1 97113359 LTUIAODEVOBOFT-SNVBAGLBSA-N 306.391 2.862 0 40 DFAB CCC1(CC)Oc2ccc(NC(=O)C[C@@H]3COC(=O)C3)cc2O1 97105197 IJKSQOYNWSEVST-NSHDSACASA-N 319.357 2.866 0 40 DFAB CN(Cc1cc2ccccc2o1)C(=O)Nc1cccn(C)c1=O 84321679 WNGYUJFFACEGCO-UHFFFAOYSA-N 311.341 2.795 0 40 DFAB COc1cc(CNC(=O)c2c(C)noc2C)c2ccccc2n1 78877834 NJBJLGLTCHCHFT-UHFFFAOYSA-N 311.341 2.778 0 40 DFAB CC[C@H](Cc1ccccc1)OC(=O)C1CCN(C(C)=O)CC1 78948750 FMIHYHPPLNEJKX-QGZVFWFLSA-N 303.402 2.809 0 40 DFAB O=C(c1csnn1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95434151 JBOVTZAEKFPORQ-AAEUAGOBSA-N 321.402 2.640 0 40 DFAB Cc1ccc(CNC(=O)N(C)CC(C)(C)O)c(OC(C)C)c1 95411429 BMJKZOHXABOYSX-UHFFFAOYSA-N 308.422 2.695 0 40 DFAB Cc1ccnc([C@H](NC(=O)Cc2noc3ccccc23)C2CC2)n1 95451233 DPJKILBHRJITBW-QGZVFWFLSA-N 322.368 2.736 0 40 DFAB Cc1cc(=O)c(C(=O)N2CCc3ccc(F)cc3[C@H]2C)c[nH]1 73728140 HFWXPWYNYRYMRJ-LLVKDONJSA-N 300.333 2.582 0 40 DFAB COC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 95979581 YCGKCOPNUUFEBB-STQMWFEESA-N 318.200 2.568 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N(C)[C@@H]1CCSC1 95975315 BZVFRCYMPOUCRW-CYBMUJFWSA-N 320.462 2.959 0 40 DFAB CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 95939187 XYKCDCBTNQQWGR-CQSZACIVSA-N 315.377 2.963 0 40 DFAB C[C@H](O)[C@H]1CCCCN1C(=O)CCc1nc2ccccc2s1 95993514 JCDBQMUMUPLHEF-GXTWGEPZSA-N 318.442 2.991 0 40 DFAB Cc1nc([C@H]2COCCN2Cc2c(F)cccc2Cl)no1 95999951 KQVLQDJXVMIIFW-CYBMUJFWSA-N 311.744 2.744 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C)no2)cc1 74517556 GWDWUGGNXOGPIQ-GOEBONIOSA-N 300.358 2.942 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(Cl)ncnc3n2)c1 89467243 VURJGUFLHZTDAE-UHFFFAOYSA-N 314.732 2.939 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 75130990 XJGHIBFFZVNTNJ-CYBMUJFWSA-N 314.389 2.788 0 40 DFAB Cc1ccc(C(=O)NCc2oc3ccc(F)cc3c2C)c(=O)[nH]1 75123817 GDNXQAWHYBVSSA-UHFFFAOYSA-N 314.316 2.807 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)CCC(F)(F)F 75398748 KNWWMERXAALSSU-UHFFFAOYSA-N 310.345 2.523 0 40 DFAB C[C@H]1C(C(=O)O)=NO[C@H]1Nc1ncc(C(F)(F)F)cc1Cl 64220226 CHXMPJORIWTSSV-AJAUBTJJSA-N 323.658 2.599 0 40 DFAB NC(=O)COc1ccccc1CNc1ccc(F)c(Cl)c1 408610603 QNBKWFUSCHAKTF-UHFFFAOYSA-N 308.740 2.955 0 40 DFAB CCOc1ccc([C@@]23NCCCN2C(=O)c2ccccc23)cc1 39281160 LCNNCYRODCJHDD-LJQANCHMSA-N 308.381 2.736 0 40 DFAB O=C1C[C@H](c2nc(-c3ccccn3)no2)CN1Cc1ccccc1 38488357 VITKFQBKLNIMTP-AWEZNQCLSA-N 320.352 2.648 0 40 DFAB CCC(=O)N1CC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 72384761 LOAFAHMXGCLEHM-LLVKDONJSA-N 303.391 2.669 0 40 DFAB CCN(CC)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330043 LSIZABHBLLOHFO-UHFFFAOYSA-N 303.280 2.731 0 40 DFAB C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccsc1 73371458 OSWPYDZIBSSAEM-JSGCOSHPSA-N 320.458 2.616 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@H](Cc2cccnc2)C1 72385174 FQEPPRWVRJFPOS-MRXNPFEDSA-N 316.426 2.725 0 40 DFAB CCOc1cc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)ncn1 79439313 REZYNKKRBXTSSN-LBPRGKRZSA-N 322.409 2.687 0 40 DFAB CCOC(=O)c1ccc(CNC(=O)NCc2sccc2C)o1 80101764 FKSCZIVDJIXJFE-UHFFFAOYSA-N 322.386 2.826 0 40 DFAB O=C(NCC1CCN(c2ncccn2)CC1)Nc1cccs1 43977747 GUXHJNJJTWVBRN-UHFFFAOYSA-N 317.418 2.576 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)Nc1ccccc1F 224201292 YLNKDCZFASBIOV-UHFFFAOYSA-N 315.352 2.538 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCc1c2c(nn1C)CCC2 225817275 BWODCGYACAZUAG-UHFFFAOYSA-N 319.792 2.501 0 40 DFAB O=C(CCCc1ccccc1)NCc1nccc(N2CCCC2)n1 224150634 ISLHUERUGCICHF-UHFFFAOYSA-N 324.428 2.716 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 83572829 CBKCEJDSHOYQQO-ILXRZTDVSA-N 319.453 2.630 0 40 DFAB CO[C@@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1 225565928 MYLGAEADSPLTHH-MRXNPFEDSA-N 315.373 2.630 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1 223906995 ZPLGXNGWXQMPEO-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB CCC(=O)N1CC[C@H](NC(=O)N[C@H](C)CC2CCCCC2)C1 194516446 GEPPFNIYYVKGSZ-HIFRSBDPSA-N 309.454 2.655 0 40 DFAB C[C@@H](C(=O)O)[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 195541874 GQPRIOKDWNRGKA-SJKOYZFVSA-N 315.344 2.946 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1C(C)C 96051767 NREZXZFNZMRBKC-INIZCTEOSA-N 320.433 2.631 0 40 DFAB c1cc(COC[C@]23CCCO[C@@H]2CCN(CC2CC2)C3)ccn1 96040205 ZYEGLNDIFPNSDT-RTBURBONSA-N 316.445 2.879 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1oc3ccccc3c1C)C2 97198887 NIFLCMRTRLSXCU-ZDUSSCGKSA-N 309.369 2.991 0 40 DFAB C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2OCC(F)(F)F)O1 97228234 YWJKGAUZZKEJLW-MROQNXINSA-N 323.355 2.808 0 40 DFAB CC(C)CNC(=O)CSc1ncccc1Br 96411965 UGXMSXBNICCHCL-UHFFFAOYSA-N 303.225 2.708 0 40 DFAB Cc1cc(NCc2noc(Cc3ccccc3)n2)ccc1C(N)=O 96450120 KZPCLZUIVARQNZ-UHFFFAOYSA-N 322.368 2.680 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)c2cc3c(s2)CCC3)o1 96459317 HSVQNIJCUNKYFC-INIZCTEOSA-N 305.399 2.776 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2cnn(C)c21 96060065 OLMDKJLXISGIFX-OAHLLOKOSA-N 303.381 2.695 0 40 DFAB C[C@@H](NC(=O)C(F)(F)c1ccccn1)[C@@H](O)c1ccc(F)cc1 96495448 ROGYZRNNKMBACM-QMTHXVAHSA-N 324.302 2.551 0 40 DFAB Cc1cc(C(=O)OCCn2cnc3ccsc3c2=O)c(C)o1 96416266 IZICHXPZQFGTLN-UHFFFAOYSA-N 318.354 2.525 0 40 DFAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1c(F)cccc1Cl 96450755 DZDZFUOPBDRALX-FZMZJTMJSA-N 317.813 2.856 0 40 DFAB Cc1ccc(OCC(=O)c2ccc3c(c2)CCC(=O)N3C)nc1 96483911 DSZKNXYMVSYPRI-UHFFFAOYSA-N 310.353 2.561 0 40 DFAB CN(C)c1c(Cl)cccc1NC(=O)NC[C@H]1CCC[C@@H]1O 96434071 CWJHMCZBTDBRBI-MFKMUULPSA-N 311.813 2.689 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)C1 96192683 ULKDZVMFRPJRHD-SJKOYZFVSA-N 304.365 2.967 0 40 DFAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CCc2c(F)cccc21 96134063 LNHRNOIRCPGDIF-IGCXYCKISA-N 321.392 2.903 0 40 DFAB Cc1ccc(CCNC(=O)N(C)CCc2cccs2)cn1 96440086 CCCNXRPBIIEDNU-UHFFFAOYSA-N 303.431 2.878 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1F 252488658 IWFJQBREMOMVEN-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB Cn1ccc2cc([C@H](O)CNC(=O)c3ccsc3)ccc21 252489815 KBJAOVDTMXSLHN-OAHLLOKOSA-N 300.383 2.703 0 40 DFAB c1cc([C@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)[nH]n1 257225101 FEUPTMCLRPASJE-MRXNPFEDSA-N 312.421 2.527 0 40 DFAB CCOc1cccc2c1OCC(C(=O)OCc1ccno1)=C2 61302214 HTXILVQZSLDICK-UHFFFAOYSA-N 301.298 2.593 0 40 DFAB CC(C)(COCc1ccccc1)NC(=O)Nc1ccncn1 282001523 QKGYMZNVUVYOTH-UHFFFAOYSA-N 300.362 2.594 0 40 DFAB Cc1cc(C)n2c(-c3cccc([C@@H]4CNCCO4)n3)cnc2c1 585263309 VNLIVJGCDQXIMP-KRWDZBQOSA-N 308.385 2.674 0 40 DFAB Cc1c(O)nc2cccc(I)c2c1O 685936964 FHEGGXPBQYOVPB-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB Cc1csc(NC(=O)C2CCN(Cc3ccccn3)CC2)n1 69349701 RWPHSUIDHFMBGK-UHFFFAOYSA-N 316.430 2.697 0 40 DFAB O=C(Nc1cc(-n2cccc2)ccc1F)c1cn2cccnc2n1 69493758 FXYOJVSGJZMGNU-UHFFFAOYSA-N 321.315 2.911 0 40 DFAB CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2coc3ccccc23)C1 72314143 ZLOULPVJDASMRJ-QWRGUYRKSA-N 308.355 2.555 0 40 DFAB Cn1cc([C@@H](O)CNC(=O)NC2CCCCC2)c2ccccc21 96096557 OHKONCBQIDXBNX-KRWDZBQOSA-N 315.417 2.844 0 40 DFAB OC1(Cc2ccc(Br)c(Cl)c2)CCNCC1 1083806385 RZRWJVZQFANLIB-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB O=C1NC(c2ccccc2Br)=N/C1=C/c1ccco1 2332725 KJHCZLBQWXPRIN-XYOKQWHBSA-N 317.142 2.960 0 40 DFAB Cc1cccc(OC[C@@H](O)Cn2c(C)[n+](C)c3ccccc32)c1 5015140 NIXYHOCFVKKUEH-INIZCTEOSA-N 311.405 2.523 0 40 DFAB O=S(=O)(Cc1ccccc1F)NCCCc1ccccc1 13671502 FAMQDNJPPMCXPO-UHFFFAOYSA-N 307.390 2.878 0 40 DFAB COCCC(=O)N[C@H](Cc1ccsc1)c1nc(C)cs1 19240165 JFQQZESFHXEDNC-GFCCVEGCSA-N 310.444 2.950 0 40 DFAB Cc1ccc(Cl)c(S(=O)(=O)Nc2nnc(C(C)C)o2)c1 153616677 UPFBUQOBYYVCTB-UHFFFAOYSA-N 315.782 2.956 0 40 DFAB COC(=O)[C@H](NCC1=CCCOC1)c1ccc2ccccc2c1 154675482 URSNQTKFPCPNLO-GOSISDBHSA-N 311.381 2.990 0 40 DFAB CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CC 710033071 ZRZMBJGQGQHWRG-GJZGRUSLSA-N 305.374 2.844 0 40 DFAB O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924427 HZFQXBFQVQPQFA-HNNXBMFYSA-N 300.402 2.736 0 40 DFAB O=C(N[C@@H]1CCCN(c2nccc3sccc23)C1)C1CC1 1889091560 DLBLBJWMTLDROX-GFCCVEGCSA-N 301.415 2.791 0 40 DFAB CC[C@@H](C(=O)NCCn1ccc2ccoc2c1=O)c1ccccc1 253399662 JTRSPHHZKYJKJX-MRXNPFEDSA-N 324.380 2.905 0 40 DFAB Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C 4061589 PNDLYDIYFZLGKE-UHFFFAOYSA-N 314.410 2.965 0 40 DFAB aggregator Cc1nnc2sc(SCc3cccc(Cl)c3)nn2c1=O 4338864 LYTZFYGVCIXOGQ-UHFFFAOYSA-N 324.818 2.800 0 40 DFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)NC1CCCC1 1775966312 XPEHLGFQMTYBOM-GFCCVEGCSA-N 304.346 2.815 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(C(C)(C)C)n2)C1 674065597 QGFUPFMKNTYAKY-CYBMUJFWSA-N 318.465 2.905 0 40 DFAB CCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 99188 AMYDFZPRGVBHEH-UHFFFAOYSA-N 315.398 2.877 0 40 DFAB COc1cccc(CNC(=O)CCCc2nc(C(C)C)no2)c1 40515814 CZZJJGFBKHMASQ-UHFFFAOYSA-N 317.389 2.841 0 40 DFAB Cc1cc2c(NCCC(=O)NCc3ccco3)ncnc2s1 31868835 ZAJIEQSTFDHBTL-UHFFFAOYSA-N 316.386 2.711 0 40 DFAB CC1(C)Cc2nc(NCc3ccccc3)c(C(N)=O)cc2CO1 20573100 YSUNRCBQQWDFBV-UHFFFAOYSA-N 311.385 2.644 0 40 DFAB C/C(=C\c1ccc(Cl)cc1)C(=O)NCC1(CO)CCOCC1 40677696 PSFNVUQDTLANIY-JLHYYAGUSA-N 323.820 2.649 0 40 DFAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCO1 45811445 WQLXBYQEAZNSLD-ONGXEEELSA-N 323.336 2.551 0 40 DFAB CCCC1=NN(C(=O)c2ccc(C)o2)[C@@](O)(C(F)(F)F)C1 356207 WRYLLCKDHLYZTP-LBPRGKRZSA-N 304.268 2.841 0 40 DFAB CCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 339891 JZDJBRGCSCRDAR-YJYMSZOUSA-N 309.365 2.760 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC 2398303 MOBYMHLXDFGHEO-YGRLFVJLSA-N 306.362 2.598 0 40 DFAB O=C(CSc1ccc(F)cc1)NC(=O)Cc1ccccc1 2620491 ARRUMJDVXZPOGZ-UHFFFAOYSA-N 303.358 2.803 0 40 DFAB COc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)cc1C 32603625 GVXRVPVHHMAKJX-UHFFFAOYSA-N 316.382 2.899 0 40 DFAB CCc1nc2ccccc2c(C)c1C(=O)O[C@@H]1C[C@H](C)OC1=O 32743318 NIPSKOQHODMSDM-ZUZCIYMTSA-N 313.353 2.966 0 40 DFAB COc1ccccc1-c1noc(CCCC(=O)NC(C)(C)C)n1 4434040 RBZAAGSDPUGDJP-UHFFFAOYSA-N 317.389 2.983 0 40 DFAB Cc1ccc(S(=O)(=O)n2nnc3cc(Cl)ccc32)cc1 6214697 DSACLLXEMNNNIE-UHFFFAOYSA-N 307.762 2.630 0 40 DFAB CCc1cccc(NC(=O)COC(=O)COc2ccccc2)c1 6459703 PHBUYQLWRDELEV-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](n2ccnc2C)C1 69772457 DECOTAQKPZKUPJ-IAQYHMDHSA-N 316.405 2.764 0 40 DFAB CCN(C(=O)CC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O 89960921 DPSSBFOJGJBXMT-LBPRGKRZSA-N 314.307 2.593 0 40 DFAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O 42179356 MHORTOCDMHLSFT-INIZCTEOSA-N 322.792 2.722 0 40 DFAB C[C@H](CNC(=O)N(C)CC1CCN(C)CC1)Cc1cccs1 76088248 QQTLMQTZDRXWEC-AWEZNQCLSA-N 323.506 2.910 0 40 DFAB C[C@@]1(C(=O)Nc2cccnc2-n2cccn2)CC1(Cl)Cl 23177219 DTMBCYBPMHKFPX-LBPRGKRZSA-N 311.172 2.790 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1sccc1C 100216151 HJAMOHFRNHDMRM-CHWSQXEVSA-N 315.442 2.992 0 40 DFAB C[C@H](NC(=O)CN1CSCC1=O)c1cccc2ccccc12 23912295 YWFYPEVDWKPBLC-LBPRGKRZSA-N 314.410 2.550 0 40 DFAB CCC(CC)NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 58161214 SKHGAXFDNVCPGY-UHFFFAOYSA-N 311.769 2.981 0 40 DFAB COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)cc1C(=O)O 48229574 ACFMCOLSZVYDEF-FZMZJTMJSA-N 320.389 2.771 0 40 DFAB CC(C)(C)SCCNC(=O)CCc1ccc2c(c1)OCO2 66738067 BLOBULJTSCJHDA-UHFFFAOYSA-N 309.431 2.996 0 40 DFAB CN[C@@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccc(F)cc1 36182664 SNSBLQQIOXNVNB-WMZOPIPTSA-N 315.344 2.901 0 40 DFAB COCc1cccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1 36391921 RKCXRNLDWDFQAX-HUUCEWRRSA-N 304.434 2.541 0 40 DFAB CC(=O)Nc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1C 48369940 VFMAFTMKHBFZPG-VXGBXAGGSA-N 305.378 2.595 0 40 DFAB COc1cccc([C@H](NC(=O)CC(C)C)c2nccn2C)c1 29092641 XLHWDMXOSAZPCT-INIZCTEOSA-N 301.390 2.680 0 40 DFAB Cn1nc(C(=O)NCCC2=CCCCC2)c2ccccc2c1=O 3565608 ZQUZEUIJIPXEIQ-UHFFFAOYSA-N 311.385 2.554 0 40 DFAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(F)cc1F 12901783 LGWANXYZCPLCRJ-UHFFFAOYSA-N 308.284 2.707 0 40 DFAB COc1cc(CCC(=O)N(C)OC)ccc1OCC(F)(F)F 69454437 IKRSXMOZPKBXBL-UHFFFAOYSA-N 321.295 2.589 0 40 DFAB CCO[C@H]1Sc2nnc(C)n2N=C1c1ccc(Cl)cc1 17173192 JLIQNAONAIOQGT-LBPRGKRZSA-N 308.794 2.961 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccccn2)CC1 13325188 DNAWYCZMXASUOZ-UHFFFAOYSA-N 314.364 2.570 0 40 DFAB Cc1c(C(=O)N2CCC(CC(N)=O)CC2)oc2ccc(F)cc12 49392309 RSXFWWGJZAKAGC-UHFFFAOYSA-N 318.348 2.608 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cc(C(=O)O)ccc1Cl 8429610 ZRCLIHRVVTYOPE-UHFFFAOYSA-N 308.721 2.824 0 40 DFAB Cc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1 4121536 JJFNHJBUIVTOAW-UHFFFAOYSA-N 310.353 2.609 0 40 DFAB Sc1nnc(-c2cc(-c3ccco3)n[nH]2)n1-c1cccnc1 13691504 UKLICGQWBYYRDI-UHFFFAOYSA-N 310.342 2.601 0 40 DFAB Cc1sc(NC(=O)c2noc3c2CCCC3)c(C(N)=O)c1C 69521523 BOEQZNDNRMVTBM-UHFFFAOYSA-N 319.386 2.583 0 40 DFAB COc1cccc(C[C@@H]2CCCN2c2ncnc3c2cnn3C)c1 65410450 PBBTWHDLKJTRNT-AWEZNQCLSA-N 323.400 2.583 0 40 DFAB CCOC(=O)C1(NC(=O)c2ccccc2)Cc2ccccc2C1 65565036 DWOMULRZSIECQL-UHFFFAOYSA-N 309.365 2.517 0 40 DFAB CC[C@@H](C)[C@@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)C1CC1 65566062 JHJPHVSZGXIGSV-ZWNOBZJWSA-N 315.421 2.780 0 40 DFAB Cc1cc(C)n(Cc2cccc(C(=O)NCc3cc(C)on3)c2)n1 65621367 MBLJMNAPCDDXSE-UHFFFAOYSA-N 324.384 2.775 0 40 DFAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 5480383 YWXJBBHDBDBABT-VMJZLSGTSA-N 305.418 2.962 0 40 DFAB O=C(NCc1ccco1)c1cccc(NC(=O)c2cccnc2)c1 14837188 FGVXXTWKSMTKCN-UHFFFAOYSA-N 321.336 2.857 0 40 DFAB CCCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 6940859 PDZIQDVQWFUIHI-QGZVFWFLSA-N 319.449 2.931 0 40 DFAB CCN1C(=O)CN(c2ccc(C)cc2)C(=O)[C@@H]1c1ccccc1 15413463 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O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CC2(Cl)Cl)c1 9750181 VHNQZCQIFJDYCS-LLVKDONJSA-N 313.184 2.711 0 40 DFAB CCC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 97081864 ZTRDRMFJMMSYLK-HNNXBMFYSA-N 314.788 2.819 0 40 DFAB Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)c(=O)[nH]1 84232224 AQRXURLRNZKLFW-UHFFFAOYSA-N 316.323 2.796 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccccc12 97144108 RSUODRCJWIPIFY-SFHVURJKSA-N 323.396 2.649 0 40 DFAB c1ccc(Cc2noc(CN3CCC(c4cn[nH]c4)CC3)n2)cc1 97203469 YKTBWSPASYLSFX-UHFFFAOYSA-N 323.400 2.763 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1ccnn1Cc1cccs1 97230080 WRGZXNCFSGLHTM-UHFFFAOYSA-N 316.390 2.977 0 40 DFAB Cc1cc(C)n2ncc(-c3noc([C@@H](C)OCC4CC4)n3)c2n1 95394434 KIVCBQAZJDMFQG-LLVKDONJSA-N 313.361 2.884 0 40 DFAB Cc1ccc(/C=C/CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 84754110 RIULGLNKQHJNPH-MOTZXUDYSA-N 322.408 2.611 0 40 DFAB C[C@H](NC(=O)CSC(C)(C)C)c1ccc(-n2ccnn2)cc1 95440410 JBXUFVLKVZDOTQ-LBPRGKRZSA-N 318.446 2.976 0 40 DFAB CC(C)Oc1cc(CNC(=O)c2ccc3nccnc3c2)ccn1 95434576 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323.356 2.803 0 40 DFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 37082939 DTNHRNRRJMTXHL-SNVBAGLBSA-N 302.827 2.875 0 40 DFAB O=C(NCc1cccc(F)c1)C(=O)Nc1ccc2cc[nH]c2c1 32072288 VGXJVSCCZYDSLO-UHFFFAOYSA-N 311.316 2.562 0 40 DFAB O=C1O[C@H]2C[C@@H]1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 75162348 IXDDHKVAJVVUED-KBPBESRZSA-N 319.788 2.678 0 40 DFAB CC(C)C(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1 72384713 MVTLBPTYSYCEHN-CYBMUJFWSA-N 311.389 2.935 0 40 DFAB Cc1nnc(CNC(=O)Nc2cc(F)cc(F)c2)n1C1CC1 130734792 RJBRJVLLURZUKB-UHFFFAOYSA-N 307.304 2.521 0 40 DFAB O=C(O)C1(COc2cccc(Br)c2)CCOCC1 85390568 PZNSJMBFNAIDIS-UHFFFAOYSA-N 315.163 2.709 0 40 DFAB CC[C@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 41185208 IPDPCFKJTIOQOY-NSHDSACASA-N 303.362 2.593 0 40 DFAB CC1(C)COc2c(C(=O)NCc3ccc(C(=O)O)o3)cccc21 570815727 FCNGONSUGCFYAH-UHFFFAOYSA-N 315.325 2.578 0 40 DFAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC 222776164 QRPDTGPXIWYUCE-SECBINFHSA-N 317.216 2.867 0 40 DFAB COc1ccccc1C1(CNC(=O)[C@@H](O)c2ccccc2)CC1 81314187 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CCO[C@@H](CC)C(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1 57207044 AEXZNGUVYGJQNX-INIZCTEOSA-N 320.433 2.598 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc(F)c1 69770538 LUAYGKYAXRMGCM-ROUUACIJSA-N 320.408 2.680 0 40 DFAB COc1cc(CNc2ncc(Br)cn2)cc(OC)c1 67368608 UGGAFYRTIWUGKN-UHFFFAOYSA-N 324.178 2.868 0 40 DFAB CC1=C(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)CCCO1 95439502 HYPHLMFVSGLZMP-CQSZACIVSA-N 318.421 2.649 0 40 DFAB NCCCc1c[nH]c2ccc(I)c(F)c12 1857793147 URVLGQLUVDYCDH-UHFFFAOYSA-N 318.133 2.803 0 40 DFAB CCNC(=S)Nc1ccccc1C(=O)NCc1ccco1 12138145 AOYICKNGVXDAOV-UHFFFAOYSA-N 303.387 2.516 0 40 DFAB CCc1ccc(OCC(=O)NCc2ccc(C(=O)O)cc2)cc1 13092048 IERSIHXTVMTSQI-UHFFFAOYSA-N 313.353 2.642 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2cnc(C)nc2C)cc1OC 19937146 VFANANFFKZKRRC-SNVBAGLBSA-N 315.373 2.602 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 152417 FKYPAFJTDKQZBG-RKDXNWHRSA-N 302.296 2.658 0 40 DFAB CCC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226350670 NKGICNCBOBEEAK-UHFFFAOYSA-N 318.354 2.868 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C1 13959601 FPESDVNZHKVGDG-PHIMTYICSA-N 321.446 2.539 0 40 DFAB Cc1ccsc1CN(C)Cc1cc(=O)n2ccsc2n1 8309960 SPRPPIHFNZPITJ-UHFFFAOYSA-N 305.428 2.758 0 40 DFAB OC[C@]12CCCC[C@@H]1CN(c1ncnc3ccc(F)cc13)C2 1888866589 XJTNDEMWWJAGHI-SJKOYZFVSA-N 301.365 2.758 0 40 DFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953030379 HSASZUZBUAVPQI-KRWDZBQOSA-N 300.427 2.826 0 40 DFAB O=C(NCC1(N2CCOCC2)CCC1)Nc1ccccc1Cl 1776008926 SFOKWTORIKIYJR-UHFFFAOYSA-N 323.824 2.716 0 40 DFAB C[C@H](OC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)C(=O)O 2061000879 VTOIVQBWGYJQOU-TYNCELHUSA-N 318.369 2.718 0 40 DFAB CN(C)Cc1noc2c1C[C@H](NCc1ccccc1F)CC2 2055730209 LQNFKZLEPIEGLO-CYBMUJFWSA-N 303.381 2.522 0 40 DFAB CCN(CC)CCNC(=O)c1c(-c2ccccc2)noc1C 50081172 MAAOUZUNAHDTLQ-UHFFFAOYSA-N 301.390 2.722 0 40 DFAB COc1cc(CCC(=O)N2CCCCC2)cc(OC)c1OC 50078425 SCQABVKNXCYQDQ-UHFFFAOYSA-N 307.390 2.658 0 40 DFAB Cc1cc(/C=C/c2ccc(OC[C@H](O)CNC(C)C)cc2)on1 73958 OTVISUXBMRTEMX-YXMGTMDOSA-N 316.401 2.891 0 40 DFAB COCc1c(C(=O)Nc2nnc3ccccn23)oc2ccccc12 31739664 XIEXZRAZDMEQHN-UHFFFAOYSA-N 322.324 2.874 0 40 DFAB CC[C@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(Cl)c1 40528188 LPGCPWUSNVOKGK-ZDUSSCGKSA-N 313.810 2.503 0 40 DFAB O=C([C@@H](Cc1ccccc1)NCc1cccc(O)c1)N1CCCC1 69780325 HAIVQYJWNPJTPG-LJQANCHMSA-N 324.424 2.716 0 40 DFAB CCS[C@H]1CCCCN(S(=O)(=O)c2c(C)noc2C)C1 69703381 WSJULKUZDOIJKT-LBPRGKRZSA-N 318.464 2.588 0 40 DFAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 45936825 GBQOLSLJLDYOOG-NSHDSACASA-N 316.279 2.695 0 40 DFAB COc1ncccc1CNC(=O)N1CCC[C@H]1c1ccncc1 45965098 GHHRKVSMNYUKLI-HNNXBMFYSA-N 312.373 2.532 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc2cccnc12 32865638 COMWAMZVEMVNMU-GOSISDBHSA-N 317.392 2.647 0 40 DFAB O=C(CSc1nnnn1C1CCCC1)c1ccccc1F 4968010 KFUOYTCCZIURSD-UHFFFAOYSA-N 306.366 2.902 0 40 DFAB CC[C@@H](C)C(=O)NCc1ccc(OC[C@H]2CCCO2)c(OC)c1 32931010 YCFOLMOJPCBAED-UKRRQHHQSA-N 321.417 2.915 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCn1cccn1 52765885 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Cn1ncc2c1CCC[C@H]2NC(=O)c1cc2c(s1)CCC2 24989990 LZWWQQUZSYKQEX-GFCCVEGCSA-N 301.415 2.778 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 43417441 YGKCGFZAJVANEB-DGCLKSJQSA-N 310.419 2.790 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1cccs1 43832228 JVWBDSIZQXAUEL-UHFFFAOYSA-N 324.427 2.782 0 40 DFAB CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016740 PMAIDJCXMWDCBH-NSHDSACASA-N 314.393 2.841 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N[C@H](C(=O)O)c1ccccc1 178297533 REQSIGLZBCJLGA-SFHVURJKSA-N 309.365 2.660 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1cc(F)ccc1Br 35300603 CIPNWFXJYSAXOZ-LLVKDONJSA-N 302.143 2.637 0 40 DFAB Cc1cc(SC(C)(C)C)ccc1N[C@@H](C)C(=O)NC(N)=O 58356316 QFRUHMYJEOJQRT-JTQLQIEISA-N 309.435 2.881 0 40 DFAB O=C1CCCCCN1CCCNC(=O)C1(c2ccccc2)CC1 58378417 MNGMZNSACBZEMG-UHFFFAOYSA-N 314.429 2.627 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 10506298 UAJJFKBMKUDAOC-UHFFFAOYSA-N 314.389 2.567 0 40 DFAB O[C@H](CNCc1nc(-c2ccsc2)no1)c1ccccc1 48264123 STHSWMLNBKSBSJ-CYBMUJFWSA-N 301.371 2.621 0 40 DFAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(N(C)C)nc1 28896355 YWNLXNFFPUJXOG-UHFFFAOYSA-N 313.401 2.737 0 40 DFAB CCC[C@H](C)NC(=O)CSc1nncn1-c1ccccc1 3545811 WIONXQWQZOGHQG-LBPRGKRZSA-N 304.419 2.664 0 40 DFAB COc1cc(C)ccc1OCC(=O)NN1[C@@H](C)CCC[C@H]1C 13130252 RLJKTGYOLQVKAR-OKILXGFUSA-N 306.406 2.677 0 40 DFAB CC(C)CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 49064484 CBOKLMXDDRHNHZ-SNVBAGLBSA-N 320.216 2.895 0 40 DFAB C[C@H]1CCOCCN1C(=O)NC[C@@H](C)COCc1ccccc1 91623775 GRBFKOUHBKTNSB-CVEARBPZSA-N 320.433 2.660 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 69528988 NNAZCPAYBQNHCJ-GJZGRUSLSA-N 316.401 2.504 0 40 DFAB O=C(COC(=O)c1ccccc1O)NCc1cccc(Cl)c1 5077810 RKKJLRLHMILZJF-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB CC[C@H](C)[C@H](NC(=O)NCc1ccccc1Cl)C(=O)OC 4302417 ZPHIXGXYMKKVNY-GWCFXTLKSA-N 312.797 2.727 0 40 DFAB CCOc1ncccc1CNC(=O)N(CC)Cc1ccoc1 69625709 MVYBOODJYKAKCY-UHFFFAOYSA-N 303.362 2.805 0 40 DFAB Cn1cc([C@H]2C[C@@H]2C(=O)OCc2coc(-c3ccccc3)n2)cn1 69950155 WDUFQZKUKXWSGK-CVEARBPZSA-N 323.352 2.922 0 40 DFAB CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 5214670 CSAASLKERXHDOA-QINSGFPZSA-N 312.369 2.965 0 40 DFAB Cc1ccc(NC[C@H]2CCN(Cc3noc(C4CC4)n3)C2)nc1 65467322 BXAZDGKXJBIUPV-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB CC[C@@H](CO)NC(=O)c1csc(Nc2cccc(C)c2)n1 14009667 HLPOREXNPBNHJE-NSHDSACASA-N 305.403 2.696 0 40 DFAB CC(C)[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)O 5425734 FADMKUIAOPSLCK-SNVBAGLBSA-N 315.167 2.680 0 40 DFAB COc1ccc(-c2nnc3sc(-c4cnoc4C)nn23)cc1 8715093 KUHYYXMSFHTDAM-UHFFFAOYSA-N 313.342 2.825 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(C)c2)cc1 66290495 BVGRBQXHYZAWBY-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(F)(F)F 20137029 ZZVLGGIFCWLMQC-UHFFFAOYSA-N 315.247 2.948 0 40 DFAB CCOc1cc2c(cc1CNC(=O)c1cccnc1)O[C@@H](C)C2 6847150 NCDPORQDGFMGQZ-LBPRGKRZSA-N 312.369 2.734 0 40 DFAB CC(C)c1cc(N[C@@H]2CCCN(C(N)=O)C2)nc(C(C)C)n1 96011324 YJZOBBGIMTZRHX-GFCCVEGCSA-N 305.426 2.678 0 40 DFAB CCCC(=O)Nc1ccc(-c2nc(CC(N)=O)sc2C)cc1 9884545 GCQBRBAAQQEUFP-UHFFFAOYSA-N 317.414 2.885 0 40 DFAB CN(CC(=O)N(c1ccccn1)C1CCCC1)[C@H]1CCSC1 97085789 WKGQAADNNBEHHJ-HNNXBMFYSA-N 319.474 2.795 0 40 DFAB O=C(NCc1ncc[nH]1)c1cccc(Br)c1Cl 97056514 MMUPCONRXMHHKP-UHFFFAOYSA-N 314.570 2.756 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)NCc1cccnc1N(C)C 96417631 GQWZTSMLNOYQLV-KBPBESRZSA-N 322.478 2.621 0 40 DFAB O=C(CCSc1ccc(F)cc1)Nc1ccnc2ccnn12 71888862 OOJQUBPBMGMZKK-UHFFFAOYSA-N 316.361 2.989 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccno1 71893082 YAMPLFUBTRLXIP-OCCSQVGLSA-N 309.410 2.942 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 9685899 YFQVPRKYJHLJEY-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COc1cc([C@@H](C)NCC(=O)N2CCC(C)CC2)ccc1F 97033502 UOTYQDWSXAGXTN-CYBMUJFWSA-N 308.397 2.743 0 40 DFAB CCCOc1ccc(C(=O)NC[C@H](C)CO)cc1OCCC 89960330 LGXGUBMEUACDJO-ZDUSSCGKSA-N 309.406 2.622 0 40 DFAB Cc1ccccc1[C@@H](O)CNC(=O)NCCCOC1CCCC1 72281210 WOEULVPEKZBIDN-KRWDZBQOSA-N 320.433 2.677 0 40 DFAB CC[C@@H]1CCC[C@@H](CN2CCC(C(=O)N3CCOCC3)CC2)C1 97108427 VPKAXKRUCRPZQK-IAGOWNOFSA-N 322.493 2.774 0 40 DFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccnc2c(F)cccc12 72401631 XWFZSSPCHCQDSF-RYUDHWBXSA-N 302.305 2.669 0 40 DFAB CC(C)N(CCNC(=O)[C@H](c1ccccc1)N(C)C)C(C)C 84597264 MXOAHEQCJGQNKK-KRWDZBQOSA-N 305.466 2.524 0 40 DFAB COc1cc2c(cc1OC)CN(c1ccnc(C3CC3)n1)CC2 95394638 CWJMOYNINTUJPT-UHFFFAOYSA-N 311.385 2.934 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2ccc3scnc3c2)cn1 95401260 ZIZAKNZKWLACPZ-UHFFFAOYSA-N 322.415 2.875 0 40 DFAB C[C@H](NC(=O)N(C)CC[C@@H](C)O)c1nc2cc(Cl)ccc2[nH]1 95971266 QTFCDMZXPMTPPP-ZJUUUORDSA-N 324.812 2.690 0 40 DFAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccnc2C)cc1 95940154 OWZJHLHRXKXXLL-GFCCVEGCSA-N 312.369 2.994 0 40 DFAB O=C(COc1ccccc1Br)NCCc1ccco1 95977968 FQVXLFMBRHCBLI-UHFFFAOYSA-N 324.174 2.780 0 40 DFAB CC(=O)CCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 95955491 NAOFYOPXTINCFO-HNNXBMFYSA-N 318.373 2.502 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2cccc3cn[nH]c23)C2CC2)n1 95986947 BMEYDBQPYGVYIN-HNNXBMFYSA-N 307.357 2.542 0 40 DFAB C[C@@H](N[C@@H]1CCSC1)c1ccc(OCC(=O)NC2CC2)cc1 95967341 VQOJNRVAUAVBKW-IUODEOHRSA-N 320.458 2.500 0 40 DFAB CC[C@H]1CCc2ccccc2N1C(=O)COCc1nc(C)no1 75093900 WSPVKCRFXKXKHN-AWEZNQCLSA-N 315.373 2.653 0 40 DFAB Fc1ccc2c(c1)[C@H](Sc1nnnn1C1CCOCC1)CC2 75093554 KPWUHHFEPRNNNC-CQSZACIVSA-N 320.393 2.943 0 40 DFAB C[C@H](CNC(=O)Cc1ccccc1O)Oc1ccccc1F 75163886 JAXPZPSYYZXVHU-GFCCVEGCSA-N 303.333 2.658 0 40 DFAB CC(C)(C(=O)NCc1nc(C(=O)O)cs1)c1ccc(F)cc1 89761847 OOGFTKBZEZUIJJ-UHFFFAOYSA-N 322.361 2.574 0 40 DFAB O=C(NCc1ccsc1)N[C@H]1CCO[C@]2(CCSC2)C1 89885455 SKGORLJIRTZUEN-GXTWGEPZSA-N 312.460 2.602 0 40 DFAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2nccs2)CC1 408710054 NDUNIVXLIWEYTH-UHFFFAOYSA-N 309.435 2.803 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(c2cccc(OC(F)(F)F)c2)C1=O 556018157 ISMFYZHHGJGKHL-CYBMUJFWSA-N 314.263 2.810 0 40 DFAB C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC[C@H]2CCCO2)C1=O 188962785 IQFUAHCJYFVNGP-CJNGLKHVSA-N 322.792 2.676 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1 3885740 BCQWVSGYTQLPNS-PBHICJAKSA-N 319.426 2.738 0 40 DFAB biogenic Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2nccs2)C1 72385679 LIYWBPRJCYXCFC-GFCCVEGCSA-N 305.403 2.843 0 40 DFAB COc1cccc(COC(=O)c2cnn(-c3ccccc3)n2)c1 32674219 JZNNJWYOGYUVTN-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB CCn1nc(C)c(CCC(=O)Nc2c(C)nn(CC)c2C)c1C 72240467 PSSVTVLXPYXFDU-UHFFFAOYSA-N 317.437 2.924 0 40 DFAB CN1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 34051917 ZMQDYJQAFOBZEO-UHFFFAOYSA-N 300.446 2.810 0 40 DFAB CC[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1nccs1 187198062 DOAGIXZLBQHBSF-LBPRGKRZSA-N 310.467 2.720 0 40 DFAB Cc1ccc(SC[C@@H]2CSc3nnc(C)c(=O)n32)cc1 36625365 WEUIZGUAXQUMGI-LLVKDONJSA-N 305.428 2.694 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)CC[C@H]3CCCO3)c2c1 79051241 BGLRAMFYVHUEPS-CQSZACIVSA-N 316.401 2.794 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1 49375777 DYXZEPUYGKGYJI-UHFFFAOYSA-N 302.733 2.942 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)[C@@H]2COc3ccccc32)CC1 133663416 ODCYTICVRDBMNU-CRELMNQXSA-N 302.418 2.588 0 40 DFAB CC1(C)CCc2cccc(NC(=O)[C@]3(C)CCC(=O)NC3)c2O1 530041222 CEVMBUBXTLNUEA-GOSISDBHSA-N 316.401 2.645 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195530447 DASWPRHZFIZMDP-XHBSWPGZSA-N 308.447 2.549 0 40 DFAB Cc1sc(=O)n(CC(=O)NC(C)(C)C)c1-c1ccc(F)cc1 40530017 FGXOUAVYXIVGEA-UHFFFAOYSA-N 322.405 2.939 0 40 DFAB Cc1cc2c(cc1C)O[C@H](C(=O)NCc1scnc1C)C2 80040738 YIHMPYUEPGHQSB-AWEZNQCLSA-N 302.399 2.688 0 40 DFAB COC(=O)c1cccc(NC(=S)NCCCOC(C)C)c1 225375541 MSWSRZNSTWMXQA-UHFFFAOYSA-N 310.419 2.575 0 40 DFAB C[C@@H](c1ccco1)N(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1 576820723 WSAUJAJIPJFXNS-NSHDSACASA-N 323.370 2.501 0 40 DFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccco1 96103710 LOQTXUWWJPIMBN-UHFFFAOYSA-N 313.279 2.802 0 40 DFAB O=C(Nc1ccc(OC(F)F)cc1)N[C@H](CCO)C1CC1 96421824 LMKXTCOWJMQSQN-GFCCVEGCSA-N 300.305 2.571 0 40 DFAB O=C(c1ccco1)N1CC[C@@]2(CN(CC3CCC3)CC[C@@H]2F)C1 96078733 CRECKDGCBRRRJI-FUHWJXTLSA-N 320.408 2.956 0 40 DFAB Cc1nnsc1CNC(=O)N1CCCc2ccccc2CC1 333562215 WPPVGGXXLVXIJK-UHFFFAOYSA-N 316.430 2.547 0 40 DFAB Cn1cc(N2CCC[C@H](Oc3ccc(F)cc3Cl)C2=O)cn1 96428792 RKTVBAHLRKIUIG-AWEZNQCLSA-N 323.755 2.787 0 40 DFAB c1csc([C@H]2CN(c3ncnc4ccsc34)CCO2)n1 97203843 VDCOZCCLKQMULF-SNVBAGLBSA-N 304.400 2.726 0 40 DFAB O=C(/C=C\c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 98045337 BVDYWVVWERVABZ-PTZVLDCSSA-N 324.336 2.586 0 40 DFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2N)cc1 242543542 KEVQLNPQEAOFLR-OAGGEKHMSA-N 321.829 2.915 0 40 DFAB CCn1cc(C(=O)N2CCC(C)(c3nccs3)CC2)cn1 257234455 GTOSJKYWFVNBSC-UHFFFAOYSA-N 304.419 2.553 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccsc2)[C@H](c2ccccc2)C1 257213692 CIRPNAZDYSPMAR-INIZCTEOSA-N 314.410 2.794 0 40 DFAB Cc1cn2c([C@H]3CCCN3C(=O)Cc3cccnc3)cccc2n1 257277723 NZCXPGUSIOTYHN-MRXNPFEDSA-N 320.396 2.944 0 40 DFAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(NC2CCCCC2)n1 257304781 SNCRDXFJSWOJQV-OAHLLOKOSA-N 323.462 2.923 0 40 DFAB CCOCC(=O)NC[C@H](Cc1cccc(F)c1)n1cccc1 85467860 CSFDEUHMAMYVNO-INIZCTEOSA-N 304.365 2.564 0 40 DFAB Cc1cc(C)cc([C@H]2NC(=O)[C@@H](c3cc(C)cc(C)c3)NC2=O)c1 390825855 JARDSIXFMTXCRQ-QZTJIDSGSA-N 322.408 2.949 0 40 DFAB CCC(=O)NCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 49087399 VKDVUPNGSGMBSD-LLVKDONJSA-N 312.822 2.519 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1c(F)cccc1F 58266087 INZNGUUNSOYRJR-NSHDSACASA-N 307.300 2.593 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2Cc2c(C)nn(C)c2Cl)c1 69738442 BLXDSFCLEKKLDC-AWEZNQCLSA-N 321.856 2.942 0 40 DFAB Cc1ccc(N2CCN(Cc3ccccc3Cl)CC2)nn1 82060909 FXAZGRXUERULFF-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB Cn1c(C2CC2)nc2c1CCN(Cc1cn3ccsc3n1)C2 84310911 PBZNEHBKAZPRLE-UHFFFAOYSA-N 313.430 2.565 0 40 DFAB Cc1ccccc1CSCC(=O)NCCCN1CCCC1 13670691 RGZVGRWMTZZVBH-UHFFFAOYSA-N 306.475 2.830 0 40 DFAB CCOc1cc(C)c(S(=O)(=O)n2ccnc2CC)cc1C 15932434 OXQZMJBKADAABU-UHFFFAOYSA-N 308.403 2.698 0 40 DFAB CC(=O)c1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1 16321933 YHDBFNJMQFZNIQ-QXMHVHEDSA-N 305.341 2.948 0 40 DFAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1cc(NC2CC2)ncn1 575603370 CQEPWAUWMUISFF-LQDVMPOASA-N 324.432 2.699 0 40 DFAB CN(C)c1ccc(-c2ccc3cc(C(N)=O)c(=N)oc3c2)cc1 1889149057 OCHACNMMILAIEZ-UHFFFAOYSA-N 307.353 2.744 0 40 DFAB CN(C(=O)COc1cccc(-c2nnco2)c1)c1ccccc1 31611649 LIKUGUOXOIBRNL-UHFFFAOYSA-N 309.325 2.778 0 40 DFAB COc1ccnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1776009686 NHVUCRSJJZKPMZ-RYUDHWBXSA-N 319.796 2.708 0 40 DFAB CC(=O)N(C)[C@H]1CCOC2(CCN(C3CCCCC3)CC2)C1 2037835049 UEDVOJUFRKLJEG-KRWDZBQOSA-N 308.466 2.811 0 40 DFAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1cccnc1 38587234 WPWPTTXTYJXMFV-UHFFFAOYSA-N 322.455 2.933 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1nccnc1-c1ccncc1 585150221 LGFKOUACOLTXGC-UHFFFAOYSA-N 322.343 2.537 0 40 DFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1 70636336 VRSFSGCGJLRMAZ-ZDUSSCGKSA-N 315.316 2.928 0 40 DFAB C[C@@](O)(CNC(=O)NCCCc1ccccc1)c1cccs1 75156097 BNJOERIPWWXKAP-QGZVFWFLSA-N 318.442 2.888 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)CN2CCOCC2(C)C)cc1 40158289 ZTTLTAGRQRHCGB-CQSZACIVSA-N 304.434 2.537 0 40 DFAB COc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 179794 SNNUXGTWKBJVKO-CYBMUJFWSA-N 304.371 2.936 0 40 DFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCSCC1 40542224 OUMKURJTVNPPTK-UHFFFAOYSA-N 320.389 2.989 0 40 DFAB CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101116219 QMNJEAJVPKFTSF-GJZGRUSLSA-N 318.804 2.681 0 40 DFAB CC1CCN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)CC1 40774651 HRQMQEULZYZWQN-QGZVFWFLSA-N 318.442 2.772 0 40 DFAB CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 69323757 BROCVFMPIFOQBX-IRXDYDNUSA-N 324.428 2.808 0 40 DFAB O=C(NCCCn1ccnc1)c1cccn1CCc1ccccc1 69350024 BWTWKXDEAUDKDT-UHFFFAOYSA-N 322.412 2.747 0 40 DFAB CN(C)c1ncccc1NC(=O)C[C@H]1OCCc2ccsc21 69742399 ZPVPUGJWWJIVKQ-CYBMUJFWSA-N 317.414 2.852 0 40 DFAB OCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 60042959 FCJPPIOJAVQHNS-QGZVFWFLSA-N 314.360 2.834 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1 4005810 HOHCAYRASQLOKU-PKIAMQTDSA-N 313.353 2.547 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccccc2[nH]c1=O 69737348 IIRXFQOFDGMKNL-UHFFFAOYSA-N 322.364 2.889 0 40 DFAB COC[C@H](C)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 7349333 PULZUVKQWOACBV-LBPRGKRZSA-N 317.385 2.842 0 40 DFAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(N)=O 7654794 WFMXPDBSNQDIDY-YFKPBYRVSA-N 301.726 2.724 0 40 DFAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1cccs1 8925053 UPKIYRQMULINPQ-GFCCVEGCSA-N 300.383 2.531 0 40 DFAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)CN1CC1CC1 46914265 QMDOKYUSKDTAEK-HUUCEWRRSA-N 318.442 2.670 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 54247881 RSVUDVWZDYDBON-IUODEOHRSA-N 320.389 2.939 0 40 DFAB O=C(c1ccc(=O)[nH]n1)N(Cc1ccsc1)c1ccccc1 103434144 SOHNXGRNMJOLHW-UHFFFAOYSA-N 311.366 2.678 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc(COC)cc2)[C@H](CC)C1 89948917 CXFHDWBDWYKHKH-MSOLQXFVSA-N 318.461 2.960 0 40 DFAB Cc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 815460 URXYQFGDOLDTRI-UHFFFAOYSA-N 304.375 2.693 0 40 DFAB Nc1nc(Cl)cc(NC[C@@H](c2ccco2)N2CCCCC2)n1 24056431 PAZKXNGUSJVZKY-NSHDSACASA-N 321.812 2.944 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nc1 24052488 UZUAGFZBGJBHRE-UHFFFAOYSA-N 300.314 2.599 0 40 DFAB CCc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)sc1C 24883468 DGHOBMJIIOOZLF-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB COCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 12539632 KSIKBUAEKUFRHQ-GFCCVEGCSA-N 313.357 2.767 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(-c2ccccc2)on1 24991382 CSACQLSYUTUJLC-AWEZNQCLSA-N 322.368 2.883 0 40 DFAB Cc1noc(-c2ccc(C(=O)N(C)Cc3cc(C)on3)cc2)n1 25138473 NHVSJGBTICEJCJ-UHFFFAOYSA-N 312.329 2.614 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N[C@@H]1c2ccccc2C[C@H]1O 77533768 WTFHAAVFKVMHPP-LRMJVLKBSA-N 322.408 2.890 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1 48017844 VVSYZROQMJWXFG-UHFFFAOYSA-N 306.362 2.508 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2(c3ccccc3)CC2)n1 57709015 IWYIRKLGAVDENB-AWEZNQCLSA-N 311.429 2.984 0 40 DFAB Oc1cccc(N2CCN(Cc3noc4c3CCCC4)CC2)c1 108917155 BFTVJICZSBWNLR-UHFFFAOYSA-N 313.401 2.581 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(Nc2ccccc2F)s1 3301826 UJDKNBPDIJQERH-SECBINFHSA-N 311.363 2.828 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccc(F)cc1F)Cc1ccccc1 27582860 TVJMQTMILURFSB-HNNXBMFYSA-N 318.367 2.868 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1F 44869127 IHCLAFBHQQPTGA-CYBMUJFWSA-N 322.405 2.929 0 40 DFAB O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(Cl)cc1 2171433 RYZVMHOERXYJQG-UHFFFAOYSA-N 314.728 2.508 0 40 DFAB Cc1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)on1 58368042 FXCBBNNKAKEWPU-UHFFFAOYSA-N 322.368 2.976 0 40 DFAB CC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)cc1Cl 3523621 UWHLOECEFOPHPR-UHFFFAOYSA-N 319.188 2.997 0 40 DFAB Cc1cc(C)c(C(N)=O)c(Sc2ccc3c(c2)OCCO3)n1 12905816 FWMXCGLOLYKHGX-UHFFFAOYSA-N 316.382 2.720 0 40 DFAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccncc4)n3)cc2c1 13126261 TZGUNQGORRTDRX-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB CCOCCc1nnc(NC(=O)/C=C/c2ccccc2)s1 13549600 ZSDUJUPBTZATAO-CMDGGOBGSA-N 303.387 2.769 0 40 DFAB Cc1nc(C)n(C[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 92197704 RYWBPIUTESNNTC-LBPRGKRZSA-N 301.268 2.527 0 40 DFAB O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)O 5156981 MZHFHLBWFAVIJW-AWEZNQCLSA-N 302.305 2.643 0 40 DFAB C[C@H](NC(=O)[C@@H](C)NC(=O)CC1CCCC1)c1ccccc1 65563165 AQCWQHMUDAFJDJ-UONOGXRCSA-N 302.418 2.949 0 40 DFAB CC(C)n1nnnc1-c1ccc(NC(=O)c2ccoc2)cc1F 96008999 PBMSIRXRDBRDOP-UHFFFAOYSA-N 315.308 2.905 0 40 DFAB CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1ccccn1 4663556 BNGSHIWXCHMNSJ-HNNXBMFYSA-N 319.449 2.811 0 40 DFAB CSc1nc(N(C)CCO)c2sc3c(c2n1)CCCC3 6756459 JLCDQXDWEACFIW-UHFFFAOYSA-N 309.460 2.721 0 40 DFAB CC1CCN(C(=O)CCn2c(=O)oc3ccc(Cl)cc32)CC1 6760733 JWLJXILWNYQQPG-UHFFFAOYSA-N 322.792 2.897 0 40 DFAB O=C(CCCC(=O)Nc1ccccn1)NCc1ccc(F)cc1 6897129 MHLVGWLKRSLFBJ-UHFFFAOYSA-N 315.348 2.646 0 40 DFAB CCOCCCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1 67534487 DXMPVJFUZDPZFX-AWEZNQCLSA-N 308.422 2.742 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCOc1ccccc1 7457532 RRHDOTGZGKQSIY-WBVHZDCISA-N 304.434 2.692 0 40 DFAB C[C@H](Cc1ccsc1)N[C@H]1CCCN(CC(F)(F)F)C1=O 90591955 JEKPTOXJFDXNAS-PWSUYJOCSA-N 320.380 2.822 0 40 DFAB O=C(CCCS(=O)(=O)Nc1ccccc1)Nc1ccccc1 7997178 QZBKUBIQTBHLHO-UHFFFAOYSA-N 318.398 2.847 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2nc(C)n3c2CCCC3)C12CCC2 81835583 OBNSACMIQJCURO-LSDHHAIUSA-N 317.433 2.605 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)N[C@@H](C)c1cnn(C)c1 78952610 KDNNCDAEZXDRKX-LBPRGKRZSA-N 316.405 2.724 0 40 DFAB CCc1noc(CN2CCC([C@@H](O)c3ccccc3)CC2)n1 71794780 VKUNFXASNGRPFA-KRWDZBQOSA-N 301.390 2.578 0 40 DFAB Cc1nn(C)c(C)c1/C=C1\CC(=O)N(c2ccccc2F)C1=O 9547716 IAUMUQBNDXGWCU-XYOKQWHBSA-N 313.332 2.523 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 71856967 JEWKCPQCUPJSDJ-LRDDRELGSA-N 303.406 2.975 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71853891 GAJVQYZQGKWYSS-INIZCTEOSA-N 313.401 2.641 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@H]2CC[C@H](SC)C2)c1C 83836689 KOPAZYJYPMKQMS-STQMWFEESA-N 310.467 2.603 0 40 DFAB Cn1ncc2c(=O)[nH]c(/C=C/c3cc(Cl)ccc3F)nc21 178878607 KRFKZCNNGNEHKG-GORDUTHDSA-N 304.712 2.620 0 40 DFAB Fc1cc2ncnc(N(C[C@@H]3CCOC3)C3CC3)c2cc1F 97145560 ULFDAJVXSOJICP-JTQLQIEISA-N 305.328 2.913 0 40 DFAB CCCOc1cccc(CNC(=O)N2CCC[C@@]2(C)CO)c1 97102879 VCOQUFDCFYEQMJ-KRWDZBQOSA-N 306.406 2.532 0 40 DFAB COc1cc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)ccc1F 97230379 MDZDWDZGSKUEOI-OAHLLOKOSA-N 315.348 2.814 0 40 DFAB CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nnnc2C)c1 72404148 DNLMVNOGRCUZKV-CQSZACIVSA-N 315.421 2.917 0 40 DFAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1C[C@H]2CC[C@@H]1O2 72645103 SLZXVFYMBMDQJA-WZRBSPASSA-N 301.371 2.711 0 40 DFAB COCc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 84714872 PHDNWMVPXQVFTM-KSSFIOAISA-N 316.445 2.570 0 40 DFAB Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc2nccnc2c1 95434530 ZXCHULZTVWMPDI-JTQLQIEISA-N 310.357 2.768 0 40 DFAB COc1ccc(CCN[C@@H](C)CC(=O)OC(C)(C)C)cc1OC 95996197 FDISZSOTIMXDDG-ZDUSSCGKSA-N 323.433 2.956 0 40 DFAB CN(CCCn1ccnc1)Cc1cn2cc(Cl)ccc2n1 95977329 DGKVYWZVEQUIGN-UHFFFAOYSA-N 303.797 2.706 0 40 DFAB COc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1 9952647 WXTNGXYKPMMDFV-UHFFFAOYSA-N 323.278 2.764 0 40 DFAB Cc1ccc(CNC(=O)c2ccc[nH]2)c(OC[C@@H]2CCCO2)c1 89623747 YIXCJWRSZAKVCW-HNNXBMFYSA-N 314.385 2.811 0 40 DFAB CCCOc1ncccc1CNC(=O)c1n[nH]c2ccccc12 60092176 LBKROXYGTSGJFH-UHFFFAOYSA-N 310.357 2.677 0 40 DFAB CCOC(=O)c1c[nH]c2cc(OC(F)(F)F)ccc2c1=O 41702237 GWZQMWHKZFRHML-UHFFFAOYSA-N 301.220 2.603 0 40 DFAB Cn1cc(CC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 38746534 KLWCXJWWIFCHMT-UHFFFAOYSA-N 318.380 2.914 0 40 DFAB COc1ccc(C(C)(C)CNCc2c[nH]nc2C)cc1OC 78602416 LRIXVYITWWBEJI-UHFFFAOYSA-N 303.406 2.803 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](C(=O)O)C1 32917371 RZMXVDPYPYGRDL-AWEZNQCLSA-N 300.358 2.947 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)O)c1ccsc1 563280526 WTGCDMABBPJXQY-CQSZACIVSA-N 305.355 2.735 0 40 DFAB Cc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2C)cc1 42646116 DGTRYKTYQLPKEE-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB Cn1nccc1C1CCN([C@H](C(=O)O)c2ccc(F)cc2)CC1 568060765 NSOKYNGHBXAPLD-INIZCTEOSA-N 317.364 2.565 0 40 DFAB CS(=O)(=O)c1cccc(-c2csc(-c3cnccn3)n2)c1 225455657 IFAWOJJAQCUGRD-UHFFFAOYSA-N 317.395 2.671 0 40 DFAB C[C@H](c1cnccn1)N1CCC(NC(=O)OC(C)(C)C)CC1 44029897 GJRVSVWJOAWVAA-GFCCVEGCSA-N 306.410 2.527 0 40 DFAB Cc1cc(CNC(=O)COc2ccc(Cl)cc2Cl)no1 48985317 OYMFNWJDIYMUJS-UHFFFAOYSA-N 315.156 2.985 0 40 DFAB COc1ccccc1C(=O)c1ccc(CN2CCOCC2)cc1 43210821 NBXGICXHJZMUAD-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(F)ccc32)o1 40175729 CRRUSACMPJJSFG-UHFFFAOYSA-N 315.300 2.877 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(F)c2)cc1 84847649 OZYOGYKNPWZGME-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@](C)(O)c2cccs2)cs1 80879083 CXTPGBISJFECMI-GJBLVYBDSA-N 308.428 2.550 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)O[C@@H](C)Cn2cccn2)n1 83797678 JIUUXBZPAIWTAS-JTQLQIEISA-N 308.769 2.695 0 40 DFAB COCc1cc(=O)n(Cc2cccc(Br)c2C)cn1 95446269 QNQQLWMBUVGDHO-UHFFFAOYSA-N 323.190 2.509 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC[C@H](O)c2cccs2)o1 96415251 FPBRXGFUSNYMQC-WXHSDQCUSA-N 320.414 2.997 0 40 DFAB CCOCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C 96109661 XUSDOYCNWMASDQ-NSHDSACASA-N 303.362 2.538 0 40 DFAB Cc1nc(Cl)cc(NCCCc2nnc3ccccn23)n1 96446524 LDDZSBQOEKOFNG-UHFFFAOYSA-N 302.769 2.526 0 40 DFAB C[C@@]1(C(=O)Nc2ccon2)CC(c2ccccc2Cl)=NO1 96192905 BJEQVBNRGWLBIF-AWEZNQCLSA-N 305.721 2.850 0 40 DFAB CCN1C[C@@H](COC)[C@]2(CCN(Cc3sccc3C)C2)C1 96220080 OZGPMADUMVFMDR-DOTOQJQBSA-N 308.491 2.847 0 40 DFAB COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@]1(C)CO 97379148 CWZINONUZYXNAZ-GOEBONIOSA-N 311.809 2.558 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)NCc1ccco1 96431322 JLBAZELCWUODRS-LBPRGKRZSA-N 304.346 2.555 0 40 DFAB O=S(=O)(Nc1ncccc1F)c1cccc(Cl)c1F 96496313 UCWMKSNZXJOOOJ-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)[C@@H](C)Oc1ccccc1 95438103 BNHXGSCBAXQZKF-IVSAIRAKSA-N 320.433 2.645 0 40 DFAB CN1CCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 96404001 DOODRXCSYGWDOL-KGLIPLIRSA-N 314.351 2.933 0 40 DFAB Cc1cc(NCc2nncn2C)ccc1C(=O)OC(C)(C)C 97233493 JJBNQYRRMJYIFL-UHFFFAOYSA-N 302.378 2.691 0 40 DFAB NC(=S)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252517035 ZBTKLKOSORYHKP-RBSFLKMASA-N 317.435 2.529 0 40 DFAB Cc1ccc([C@@H]2[C@@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1 252516777 WWLLIVNJHMJFIJ-BRWVUGGUSA-N 302.395 2.543 0 40 DFAB COc1ccc(CN2CCOC[C@@H](Cc3ccccn3)C2)cc1 257228672 FUUUWXFPDRQWSQ-KRWDZBQOSA-N 312.413 2.781 0 40 DFAB C[C@]1(O)CN(Cc2ccncc2)CC[C@@H]1Oc1cccc(F)c1 257264489 LUPJCWKFJKDHQF-ROUUACIJSA-N 316.376 2.625 0 40 DFAB CC(=O)N1CCC(c2cnc(-c3ccnn3C(C)C)cn2)CC1 257324353 WOHVTEQGANHFNM-UHFFFAOYSA-N 313.405 2.647 0 40 DFAB COC[C@]1(C(=O)O)CCN(C(=O)c2ccc(C3CCC3)cc2)C1 263147059 XBPZPOJDKZCWCA-SFHVURJKSA-N 317.385 2.517 0 40 DFAB COC(=O)CN[C@H](c1ccc(Cl)cc1)c1ccccc1N 96102802 GCZGKMPQCHGBOW-MRXNPFEDSA-N 304.777 2.774 0 40 DFAB O=S(=O)(N[C@@H]1CCO[C@H](c2cccnc2)C1)C1CCCCC1 296278469 YRHMLPXJFPWFEV-ZBFHGGJFSA-N 324.446 2.554 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1N 47844174 KKCXUHZJMXLTBP-GFCCVEGCSA-N 320.389 2.825 0 40 DFAB in-vitro O=C(O)c1ccc(NS(=O)(=O)c2cccs2)cc1Cl 48567802 YMDDQPMIUGFFKX-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1 48763719 HXLQALLHPWEMKZ-MRXNPFEDSA-N 324.380 2.882 0 40 DFAB Cc1cccc(C(=O)NCCCNC(=O)c2cccs2)c1C 69454146 UWXZGHBTVLJDFQ-UHFFFAOYSA-N 316.426 2.915 0 40 DFAB Cc1cc(N2CC[C@@H](N[C@H](C)c3sccc3C)C2=O)n(C)n1 90171820 GIDFKTZUALRMEP-CHWSQXEVSA-N 318.446 2.555 0 40 DFAB c1ccc(Cn2cc(CNc3ncnc4ncccc34)cn2)cc1 95973307 AWMQBPSBPXKGCM-UHFFFAOYSA-N 316.368 2.882 0 40 DFAB CO[C@H]1CCN(C2CCCC2)CC[C@@H]1CC(=O)N1CCCC1 1615157042 YXDLRHOKHXOVIP-WBVHZDCISA-N 308.466 2.669 0 40 DFAB COC[C@H](C)OCc1cc2c(cc1Br)OCO2 5762988 PGOLGTFZXIKJOU-QMMMGPOBSA-N 303.152 2.729 0 40 DFAB COc1cccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)c1 15674557 WRMJXOJIZURGHC-UHFFFAOYSA-N 317.374 2.570 0 40 DFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccccc2)NN1C 16292873 OFARMGQZWLUNAO-GOSISDBHSA-N 308.385 2.853 0 40 DFAB Cc1cnc2cc(C3CCN(C(=O)c4cccnc4)CC3)[nH]c2n1 19239376 HHQMIRNDUSNXOO-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 28875715 VCUNNQQVXZHYQB-CYBMUJFWSA-N 314.385 2.512 0 40 DFAB CCCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1 206663980 JSMKKKBFNAFIBS-ZDUSSCGKSA-N 323.414 2.978 0 40 DFAB COc1ccc(NC(=O)c2c(O)c(C)c(C)[nH]c2=O)cc1Cl 207011493 JFWBQGIRUWAAEC-UHFFFAOYSA-N 322.748 2.612 0 40 DFAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCC2 40488988 KOCOBRZMVBLXDY-SECBINFHSA-N 324.306 2.734 0 40 DFAB O=C(O)[C@H]1CS/C(=C\c2ccc(Br)cc2)N1 20444837 JSYVWJRJNWGNFM-JRZFIGEHSA-N 300.177 2.537 0 40 DFAB CCN1CCN(C[C@H](O)c2cc(Cl)ccc2Cl)CC1 51085851 CKZWJIZNUGPLMP-AWEZNQCLSA-N 303.233 2.664 0 40 DFAB C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 102300439 KVXZJTQTNRUDEA-XUXIUFHCSA-N 314.385 2.535 0 40 DFAB CCCN1C(=O)c2[nH]nc(C)c2[C@H]1c1cc(OC)ccc1OC 4909623 BVJZNCYAAPLDEH-MRXNPFEDSA-N 315.373 2.691 0 40 DFAB Cc1cccc2c(=O)[nH]c(CSC(=S)N3CCCC3)nc12 7243646 PUYSXHBFPCGTLN-UHFFFAOYSA-N 319.455 2.845 0 40 DFAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccccc2C=O)CC1=O 7929305 ZMAVZVNVYPXIAD-OAHLLOKOSA-N 323.348 2.766 0 40 DFAB CCC1(C(=O)NC2CC2)CCN(C(=O)c2ccccc2)CC1 96004405 XONRNTKMPVDEFH-UHFFFAOYSA-N 300.402 2.598 0 40 DFAB CNC(=O)COc1ccc(C(C)(C)C)cc1Br 514714 JIVGFPPAFDFHGX-UHFFFAOYSA-N 300.196 2.871 0 40 DFAB Cc1ccc(-c2cc(C(=O)N3CCO[C@@H]4CCC[C@H]43)[nH]n2)cc1 53384560 SXUWQHMOIBPTJU-IAGOWNOFSA-N 311.385 2.779 0 40 DFAB O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(F)cc1 22902777 TZBJSUXIGJPKMR-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB Cn1nccc1CNC(=O)c1occc1COc1ccccc1 23193646 HXJZQLQSVNXUGJ-UHFFFAOYSA-N 311.341 2.522 0 40 DFAB COc1ccc(NC(=O)CN2CCCCCC2=O)cc1Cl 23711357 MTEFLUOVTFPIIY-UHFFFAOYSA-N 310.781 2.690 0 40 DFAB O=C(CN1CCCCCC1=O)Nc1nc2ccccc2s1 23755121 LQECAUORVOJOLO-UHFFFAOYSA-N 303.387 2.637 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 54686785 UZSBHBIRUBUZPC-HIFRSBDPSA-N 321.490 2.984 0 40 DFAB O=C(CCCc1cccs1)N[C@@H]1CCCc2[nH]c(=O)ccc21 43055865 GQMUNYQRUVSIKZ-CQSZACIVSA-N 316.426 2.953 0 40 DFAB COc1ccc(C(C)(C)C)cc1N[C@@H](C(=O)NC(N)=O)C(C)C 24762134 RNFQGZPLWQMWEN-CQSZACIVSA-N 321.421 2.624 0 40 DFAB CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 25066981 HYGASGWGDDPVEC-UHFFFAOYSA-N 307.147 2.996 0 40 DFAB COc1ccc(F)cc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25332004 RKHXLLVDBSDLHS-AWEZNQCLSA-N 322.405 2.929 0 40 DFAB O=C1/C(=C/c2cccc(O)c2)N=C(S)N1Cc1ccco1 102003761 UTMAKGQXJYVUQN-JYRVWZFOSA-N 300.339 2.654 0 40 DFAB O=C(NC[C@@H]1COCCO1)Nc1ccccc1-c1cccs1 56577480 NCMKBIPZAAWZEQ-GFCCVEGCSA-N 318.398 2.952 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cnc3ccccc3c2)c(=O)[nH]1 12591413 KVGXHMPMEUSCLE-UHFFFAOYSA-N 322.368 2.506 0 40 DFAB CN(C)c1ccc(C(=O)NCc2ccccc2N2CCCC2)cn1 57249896 SBGLPHKPOIQFQW-UHFFFAOYSA-N 324.428 2.678 0 40 DFAB O=C(NCc1nncn1-c1ccccc1)c1cc2ccccc2o1 47909073 NGOXAMSBYUOSIQ-UHFFFAOYSA-N 318.336 2.944 0 40 DFAB Nc1nc(CN2CCC[C@@H](C(F)(F)F)C2)nc2ccccc12 27350584 UZSNKVSNAKVVGN-SNVBAGLBSA-N 310.323 2.986 0 40 DFAB CCOc1ncccc1NC(=O)c1cncc(Br)c1 27587279 PTIKNQXRYSGCHU-UHFFFAOYSA-N 322.162 2.890 0 40 DFAB CC(=O)Nc1cccc(-n2nnnc2SC2CCCC2)c1 58182365 SRQFFKHECPVXOC-UHFFFAOYSA-N 303.391 2.655 0 40 DFAB CCCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC)CCC3 2124461 OQEAZNIWKIDSGU-UHFFFAOYSA-N 316.353 2.786 0 40 DFAB biogenic C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccn1 44909902 OPMWJCCSHNRSQR-TZMCWYRMSA-N 318.446 2.806 0 40 DFAB CC(C)(C)NC(=O)COc1nc(-c2ccccc2Cl)no1 58304822 OLMGVFZRJFJYKE-UHFFFAOYSA-N 309.753 2.684 0 40 DFAB C[C@H]1CCc2c(sc3nc(CN4CCCC4)[nH]c(=O)c23)C1 3311521 PXBMFIILEFKXBI-JTQLQIEISA-N 303.431 2.705 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2csc(NC3CC3)n2)cc1 36358764 GETHRMQLXNUWHV-UHFFFAOYSA-N 316.386 2.928 0 40 DFAB O=C(O)CCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 3335115 ZAHXSBYYLKYLOB-UHFFFAOYSA-N 312.300 2.542 0 40 DFAB O=C1CCC[C@@H]1Sc1nnc(-c2ccncc2)n1C1CC1 12757237 ROTYDGIAPYUYCK-ZDUSSCGKSA-N 300.387 2.889 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Cl)ncn2)C1 38579833 BYYSPKHMDVCCQI-SNVBAGLBSA-N 312.801 2.941 0 40 DFAB CCc1nc(CCNC(=O)c2ccccc2OC)sc1C 69656913 DAMUYDMKBJXYQQ-UHFFFAOYSA-N 304.415 2.995 0 40 DFAB Cc1cn2c(CN3CCS[C@@H]4COCC[C@@H]43)c(C)nc2s1 91856597 JQURBPDTBIRQTN-GXTWGEPZSA-N 323.487 2.719 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccn1C 75602275 RVENYTRVEDXTOC-NSHDSACASA-N 306.797 2.698 0 40 DFAB O=C(NC(C1CC1)C1CC1)N1CCO[C@H](c2ccccc2)C1 65493248 WCTKGVHVJCAJNP-INIZCTEOSA-N 300.402 2.958 0 40 DFAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 18220194 KZNPNJIHRADYPQ-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1cnc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cn1 14185919 DXTZHOCGXBPOJB-GFCCVEGCSA-N 303.362 2.891 0 40 DFAB COc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1 6652657 HJENNEOCQMPGTN-UHFFFAOYSA-N 319.382 2.659 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(Br)cs2)C[C@@H](C)O1 6764184 APMMIUYWBDETNE-HTQZYQBOSA-N 304.209 2.760 0 40 DFAB Cc1ccccc1[C@H]1NC(=O)c2c(sc3c2CCN(C)C3)N1 4940026 LEABYEMOHJFIFY-HNNXBMFYSA-N 313.426 2.899 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)cc1C 67261886 DTMHUADEIYCBJN-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB Cc1ccc([C@@H](C)OC(=O)c2ccccc2-n2cnnn2)cc1 15545249 MOTVRMMTHFZGKX-CYBMUJFWSA-N 308.341 2.889 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H]1CCSc2ccccc21 7814582 PHOCTRFFUWIHSR-LBPRGKRZSA-N 320.439 2.572 0 40 DFAB COC[C@H](O)CCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 90950108 GKKJOMQIINNVID-SJLPKXTDSA-N 319.445 2.766 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)c(F)c1 7959194 QLXBYDZAGHZDHZ-AWEZNQCLSA-N 322.311 2.641 0 40 DFAB C[C@@H](NC(=O)Cn1ccccc1=O)c1cccc2ccccc12 69369019 RGCUMOOLNRUYRN-CQSZACIVSA-N 306.365 2.879 0 40 DFAB Cc1cc(C2=N/C(=C\c3c(C)nn(C)c3Cl)C(=O)O2)c(C)o1 96310832 BULZFRFGFSNZKU-SDQBBNPISA-N 319.748 2.936 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1(C)C 96418950 HNGZQUPCUSYGDH-HOTGVXAUSA-N 318.417 2.921 0 40 DFAB OCC[C@H](Nc1ncc(Br)cn1)C1CCCCC1 78798563 WNWXYXPXLCQMFT-LBPRGKRZSA-N 314.227 2.982 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cnc(C)s2)c1 71866117 DXLNSUVSEQAXOG-CYBMUJFWSA-N 304.419 2.651 0 40 DFAB O=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCCC2)CC1 71903993 ZDVZQGMJVYUCIL-MSOLQXFVSA-N 313.445 2.520 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C)o2)cc1 97099038 ZOFZIMDWOHLCQP-CYBMUJFWSA-N 307.415 2.848 0 40 DFAB CCn1nccc1C(=O)N(C)c1ccccc1C(=O)OC(C)C 97164911 LWGJRXXYPRLIKB-UHFFFAOYSA-N 315.373 2.745 0 40 DFAB Cc1cccc(C)c1C(=O)NCC(=O)Nc1ccc2cn[nH]c2c1 97228125 HKPGEUUNSBIMQT-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB CSc1ccc(NS(=O)(=O)c2cnc[nH]2)cc1Cl 78988782 MQTNEUNUOKNEQC-UHFFFAOYSA-N 303.796 2.586 0 40 DFAB Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCS(C)(=O)=O)cc1 72500561 XLLWSGJWOZXNJR-JKSUJKDBSA-N 323.458 2.524 0 40 DFAB CCCCO[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84746650 WFTFAKVTQNKKGM-DGCLKSJQSA-N 307.394 2.816 0 40 DFAB CCOc1c(Cl)cc(C(=O)NCC[C@H](O)CC)cc1OC 84727868 BTJQXMCCSQFKKM-LLVKDONJSA-N 315.797 2.638 0 40 DFAB O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCc2ccccc21 95426807 ROGHFFMEGFWPEY-PBHICJAKSA-N 318.442 2.813 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1 95943337 TWFZGZQEFROGNI-CYBMUJFWSA-N 305.447 2.855 0 40 DFAB COC(=O)[C@@H](S[C@@H](C)CO)c1cccc(Br)c1 95980495 ABGYEUHZCFECIF-KWQFWETISA-N 319.220 2.777 0 40 DFAB COc1cccc(-c2noc([C@H](C)NC(=O)N(C)C3CC3)n2)c1 74895759 MCKCKCLIZRRGBV-JTQLQIEISA-N 316.361 2.610 0 40 DFAB Cc1nc(CCNC(=O)c2ccnc(OC3CCC3)c2)cs1 89564305 YGUIJQNWMUILHI-UHFFFAOYSA-N 317.414 2.750 0 40 DFAB COC(=O)c1[nH]nc(-c2cccc(OC)c2)c1Br 38478439 WRLBFDWKRRLEJC-UHFFFAOYSA-N 311.135 2.634 0 40 DFAB CCCc1nnc(NC(=O)COc2cccc(OC)c2)s1 36293704 IFZXINRAWJJHQY-UHFFFAOYSA-N 307.375 2.517 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccc(O)cc2Cl)CC2(CCC2)O1 517375631 ZORJKVKTOLVNRC-NSHDSACASA-N 309.793 2.758 0 40 DFAB Cc1nnc(NC(=O)c2cc(-c3cccs3)nn2C)s1 72404198 XPRDJXGYIWACLA-UHFFFAOYSA-N 305.388 2.561 0 40 DFAB CSc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 39989081 UOVOWCQQMLOENJ-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 78615112 DXXOFBYERAQSNE-VIFPVBQESA-N 318.236 2.691 0 40 DFAB CCc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 60241941 CMENZQJGDXNNLB-SFHVURJKSA-N 322.408 2.625 0 40 DFAB COc1ccc(NC(=O)COc2ccc(CN)cc2)cc1Cl 36720773 WMNOHDQQSNKLHE-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB CCCCOc1cccc(C(=O)Nn2c(C)nnc2SC)c1 33782825 FVPFVTBDYNVGEA-UHFFFAOYSA-N 320.418 2.871 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)NC1CCC(C)CC1)NC(N)=O 32796279 DCVZLKDMPVNLFX-LDZOIKDWSA-N 317.433 2.789 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)c1nc(-c2cccc(F)c2)no1 78774886 LDLXBKPZAQEYSO-SECBINFHSA-N 301.277 2.960 0 40 DFAB NS(=O)(=O)c1cncc(Cl)c1SCc1ccccc1 72210706 IYQDOFXKISCYBC-UHFFFAOYSA-N 314.819 2.675 0 40 DFAB CCN(CC)Cc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3 40288176 YFQCAEFUQPVTOA-UHFFFAOYSA-N 321.446 2.678 0 40 DFAB CCCOC(=O)c1cc(N)c(Sc2ncn[nH]2)c(Cl)c1 70462555 LZJBNJWPLHBWOU-UHFFFAOYSA-N 312.782 2.758 0 40 DFAB Cc1nc(-c2ccccc2Cl)sc1CNS(C)(=O)=O 85471081 QSFCAKMDJOUEFN-UHFFFAOYSA-N 316.835 2.821 0 40 DFAB CCNC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 40047178 LLLJWSLRRCGIMS-UHFFFAOYSA-N 309.369 2.971 0 40 DFAB COc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1OC 222565742 AOIFBVBLQXOECQ-UHFFFAOYSA-N 313.357 2.932 0 40 DFAB Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 530518743 VGSWDIZGQAUJPP-LVFSCSRESA-N 311.429 2.694 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 229816443 MAQVNPIYBUKFBC-BDXSIMOUSA-N 317.344 2.796 0 40 DFAB C1CC(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 96219359 ARNXPAPBUIQWMN-AZUAARDMSA-N 318.505 2.999 0 40 DFAB COCCCNC(=O)Nc1ccc(Br)c(OC)c1 96446049 ZQLJBUAZLLBXLI-UHFFFAOYSA-N 317.183 2.616 0 40 DFAB CCc1cc(=O)c2cc(NC(=O)C[C@H]3CCCCO3)ccc2[nH]1 96500673 GEVDJFFCFGPPCM-CQSZACIVSA-N 314.385 2.988 0 40 DFAB CCOC(=O)CCCCN1CCN(C2CCC(C)CC2)CC1 96417427 ZYQBMKGRRSDJBP-UHFFFAOYSA-N 310.482 2.916 0 40 DFAB CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnc(CC)nc1 97100071 ZKFWHSYTSAEYAT-CQSZACIVSA-N 306.410 2.852 0 40 DFAB O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@@H]1c1ccsc1 96472430 VXKUUEODTULGTG-UONOGXRCSA-N 315.460 2.784 0 40 DFAB COCCc1noc(-c2nn(-c3ccccc3C)c3c2CCC3)n1 96405252 MLYLEWSCFTWEKS-UHFFFAOYSA-N 324.384 2.908 0 40 DFAB CC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 96056660 DTNQTCQGPOCXDI-NXHRZFHOSA-N 306.425 2.755 0 40 DFAB CCOC[C@@H]1CCOC12CN(C(=O)c1cc3ccccc3o1)C2 253382932 JUPZUYGEWNWIIS-AWEZNQCLSA-N 315.369 2.700 0 40 DFAB Cc1nccnc1CC[C@H]1COCCN1Cc1ccsc1 257281608 OQCKYBXUGNBPSW-HNNXBMFYSA-N 303.431 2.680 0 40 DFAB c1cc(CN2CCO[C@@H](CCc3ccncn3)C2)c2cc[nH]c2c1 257339381 ZBLXYIHTJRDORW-KRWDZBQOSA-N 322.412 2.792 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2scnc2C)C1 257253113 JXPLTQYRMCHUHD-ZDUSSCGKSA-N 316.430 2.710 0 40 DFAB CC(C)[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 390835754 XKQRGPHUHQQJKW-HNNXBMFYSA-N 322.372 2.640 0 40 DFAB Cc1cc(C)nc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 44714049 KIMLCOCHBKSKRR-LBPRGKRZSA-N 305.403 2.670 0 40 DFAB CC(C)(C)c1nc2cc(NC(=O)CCn3cncn3)ccc2o1 46393178 BBAWAGWHDQIUSG-UHFFFAOYSA-N 313.361 2.746 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1 48600541 ZEZUTEALXFFDPD-UHFFFAOYSA-N 307.444 2.806 0 40 DFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl 13340131 RTMGRLLTQKHTNA-UHFFFAOYSA-N 317.794 2.649 0 40 DFAB C[C@@H](CNC(=O)N[C@@H](C)c1nccs1)Oc1ccccc1 73059502 LRJIWWWQLSKREH-RYUDHWBXSA-N 305.403 2.971 0 40 DFAB Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)c1 6875832 NHTZEHLQMFKTFY-GOSISDBHSA-N 322.408 2.919 0 40 DFAB O=C1OC(c2ccc(Br)o2)=N/C1=C/c1ccco1 3010787 LFILOQXYARJVFP-SOFGYWHQSA-N 308.087 2.980 0 40 DFAB Cc1ccccc1Cn1cnc2c(cnn2-c2ccccc2)c1=O 5138530 MEXRUHPYCHDFKV-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB CCCc1nnc(NC(=O)CNc2ccc(OC)cc2)s1 5261292 ILXCDXNGSAVZKF-UHFFFAOYSA-N 306.391 2.550 0 40 DFAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 12548234 SRVPOUBMJSMXOV-UHFFFAOYSA-N 323.352 2.715 0 40 DFAB O=C(O)C[C@@H](c1cccs1)N1C(=O)c2ccccc2C1=O 19784077 KWEOBIDWUCNXQZ-NSHDSACASA-N 301.323 2.560 0 40 DFAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2cscn2)C1 643914659 VBPBKRHAQFBVET-INIZCTEOSA-N 322.405 2.952 0 40 DFAB Cn1cccc1[C@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 21151581 UTXQKWUMINTYOQ-IBGZPJMESA-N 323.440 2.651 0 40 DFAB COC(=O)c1ccc(CSCc2ccc(C(=O)OC)o2)o1 2655083 VYDDAWXYZSHIDQ-UHFFFAOYSA-N 310.327 2.879 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN1[C@@H](C)CCC[C@@H]1C)C2=O 6634517 FANBLNSUURMZTO-CWVKQELPSA-N 307.438 2.708 0 40 DFAB NC(=O)C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 26535457 QAODVHCRFVKVDS-UHFFFAOYSA-N 322.408 2.615 0 40 DFAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccco1 33107891 RJBMBCXNLRBAGT-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB Cc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncn1 2086923635 QMCXOOSCPLXVHN-UHFFFAOYSA-N 303.793 2.926 0 40 DFAB O=C(OCC(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523103 GBMLZJIORQHBPW-UWVGGRQHSA-N 303.284 2.750 0 40 DFAB CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 215164 HZSJKGMPEXGXBV-UHFFFAOYSA-N 302.277 2.566 0 40 DFAB O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCC1 4377086 GLMQLPIBOJYMTL-UHFFFAOYSA-N 307.357 2.920 0 40 DFAB COc1cccc(OC)c1OCCCCN1CCSCC1 2275027 LNZIYQCOQPAWPU-UHFFFAOYSA-N 311.447 2.912 0 40 DFAB CCOc1c(CNCCOC)cc(Br)cc1OC 10475319 YYHGWWYXSXFJAO-UHFFFAOYSA-N 318.211 2.592 0 40 DFAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccccc2Cl)C1=O 30342880 LKACGQHVYLTSJJ-OAHLLOKOSA-N 304.733 2.900 0 40 DFAB O=C(CSCc1ccccc1)NCc1ccc2c(c1)OCO2 35981 JATPFFVJBFWCJG-UHFFFAOYSA-N 315.394 2.965 0 40 DFAB Cc1cc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)[nH]n1 50660930 CSGJQNFZGOEMOV-OAHLLOKOSA-N 317.364 2.679 0 40 DFAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccsc1 40493716 YHNHWUTWZNHYLJ-ZWNOBZJWSA-N 300.383 2.756 0 40 DFAB Cc1ccc(OC(C)(C)C(=O)N2CCC3(CC2)OCCO3)cc1 20367913 XFASZZZFMAYSKF-UHFFFAOYSA-N 319.401 2.518 0 40 DFAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(N(C)C)n1 20366044 XFSKTPMWOSZHQZ-UHFFFAOYSA-N 304.415 2.906 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)C[C@H]3C=CCC3)cn2)n1 40553632 NQOCRESQUHHFAP-HNNXBMFYSA-N 310.401 2.857 0 40 DFAB O=C(Nc1cccc(Cn2cccn2)c1)[C@H]1Cc2ccccc2O1 31968535 NLIGOGZWNOBZGI-GOSISDBHSA-N 319.364 2.874 0 40 DFAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccncc1 32320840 NFFZJLCWEOWYSD-BQYQJAHWSA-N 309.369 2.873 0 40 DFAB COc1ccc2c(c1)[nH]c1c(N3C[C@@H](C)O[C@H](C)C3)ncnc12 527150 LRBRQFXAPRNTSQ-GHMZBOCLSA-N 312.373 2.733 0 40 DFAB Cc1ccc(N(C)C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nn1 69773757 RKUVMJCTDQCEFW-OAHLLOKOSA-N 314.433 2.569 0 40 DFAB COC[C@@H](C)n1c(NCc2ccccn2)nc2ccccc2c1=O 69195143 QMFPCJIPYYQSIN-CYBMUJFWSA-N 324.384 2.611 0 40 DFAB FC(F)(F)c1cnc(NCc2nnc3n2CCC3)c(Cl)c1 32590506 UYQQMIXXXOSNSE-UHFFFAOYSA-N 317.702 2.904 0 40 DFAB N[C@H]1CC(=O)c2c(Br)sc(Br)c21 1638243 ZBJKXPGYCUSNHR-REOHCLBHSA-N 310.998 2.859 0 40 DFAB CCCCN(C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3200500 INQKPBNVVKMZPP-CQSZACIVSA-N 310.419 2.508 0 40 DFAB O=C1[C@@H]2CSCN2C(=O)N1c1ccc(Cl)c(Cl)c1 480061 RVIVCHNDTWUOHY-VIFPVBQESA-N 303.170 2.835 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1C 6610901 ODMYJFYIKBJJNZ-UHFFFAOYSA-N 324.424 2.782 0 40 DFAB COC(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 32994772 WQTFSJMKBCAHNJ-UHFFFAOYSA-N 314.341 2.873 0 40 DFAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)o1 32913987 AEIILSQPEXISGH-UHFFFAOYSA-N 322.386 2.609 0 40 DFAB CCN1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 8478169 WYOVOEFCBQXLPL-UHFFFAOYSA-N 304.434 2.527 0 40 DFAB Cc1c(NC(=O)/C=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 553835 IFNRZINAIYSNIA-ZHACJKMWSA-N 323.352 2.729 0 40 DFAB Cc1cc(SCC(N)=O)c2cc(Br)ccc2n1 531275 WZNVHPRJKJECQN-UHFFFAOYSA-N 311.204 2.883 0 40 DFAB CCOC(=O)c1c(O)c2cc(F)ccc2n(CCC2CC2)c1=O 103549094 QONQNYSCVSETRG-UHFFFAOYSA-N 319.332 2.823 0 40 DFAB in-vitro CC(=O)N[C@H](C(=O)Nc1ccccc1C(C)=O)C1CCCC1 53459839 GPVMBVNDSQTSGD-INIZCTEOSA-N 302.374 2.523 0 40 DFAB O=C(COc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1 107265843 XQANAHSKRQCLBJ-DKSSEZFCSA-N 324.380 2.529 0 40 DFAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CNc1ccc(Cl)cc1 104564561 NBGJCEYBBDRFLF-DUBDDPSESA-N 304.777 2.741 0 40 DFAB Cc1ccccc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 23228166 YQCOAWXJONZYJP-UHFFFAOYSA-N 323.440 2.928 0 40 DFAB CC(=O)Nc1cc(NC(=O)CC(C)(C)CC(=O)O)ccc1C 55149489 SQWCTPCGCKBRJV-UHFFFAOYSA-N 306.362 2.783 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 3194435 XIZMIRRBYQPDKO-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 57174401 CHGCTXYHIKKLES-SFHVURJKSA-N 309.413 2.671 0 40 DFAB Nc1nc(COC(=O)c2ccnc(Cl)c2)nc2ccccc12 12554766 CWVBXJQNQIMPRO-UHFFFAOYSA-N 314.732 2.617 0 40 DFAB C1CC[C@H]([C@@]23C[C@H](C[C@H]4CCCN[C@H]42)[C@@H]2CCCCN2C3)NC1 100763238 YUKCLPPRYNXRAF-YRIPFXIYSA-N 317.521 2.761 0 40 DFAB biogenic COC(=O)N1[C@H]2CCCC[C@H]1[C@H]1CC[C@H]2CCN1C(=O)OC 101042648 RERJTUBMHHYGLD-FQUUOJAGSA-N 310.394 2.617 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)Cc3cccs3)ccc21 10825303 DLZDUCJCGFMIAU-UHFFFAOYSA-N 300.383 2.838 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1 10028867 NUDPSVZXTMMXLL-LBPRGKRZSA-N 302.330 2.784 0 40 DFAB CC12C[C@H](c3cccc(Oc4ccccc4)c3)C(C(=O)N1)C(=O)N2 62001783 BOUDATYUJRTGLN-MDCZIUGASA-N 322.364 2.545 0 40 DFAB biogenic Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@@H]1CC=CCC1 58341277 ABEABUPNLOSEHV-CVEARBPZSA-N 303.402 2.516 0 40 DFAB O=C(COC(=O)CCC(=O)c1cccs1)NC1CCCCC1 3317213 SEQMXPKXCLDPES-UHFFFAOYSA-N 323.414 2.703 0 40 DFAB C[C@@H](Nc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3307767 PERVJAOYAQBXLL-LLVKDONJSA-N 316.332 2.671 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 45689790 DVZWLRBUNDJEIT-ABAIWWIYSA-N 314.393 2.671 0 40 DFAB CCC(CC)NC[C@H](O)COc1ccc(Br)cc1 3383807 ZVVQHARLDKPBTD-ZDUSSCGKSA-N 316.239 2.967 0 40 DFAB CCOCCc1nc(-c2cccc(NC(=O)C3CC3)c2)no1 69874349 KICJMVWALSIQHX-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB COc1ccccc1NC(=O)NC1CCN(CC(C)C)CC1 12777210 URWQUVTUEZQFDH-UHFFFAOYSA-N 305.422 2.937 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 48363840 LCGYWRZPWURFRW-BDJLRTHQSA-N 324.384 2.768 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1O 5078433 IVYJCFBBRYXWFQ-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C(CSc1cn[nH]n1)Nc1ccc(Cl)c(Cl)c1 4386605 YAAFHALEJMCDBU-UHFFFAOYSA-N 303.174 2.842 0 40 DFAB O=C(CSc1ccc(F)c(Cl)c1)NC[C@H]1CCCO1 39973531 AXMYUIWDKMQYDS-SECBINFHSA-N 303.786 2.866 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)n[nH]2)c(O)c1 5343837 MWFYJLVQJAHJAL-UHFFFAOYSA-N 315.358 2.503 0 40 DFAB O=C1C(=O)N(Cc2ccncc2)c2ccc(Br)cc21 6719042 PLJAKPAIWAWUJV-UHFFFAOYSA-N 317.142 2.574 0 40 DFAB CCC(CC)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 6786737 OVDXUEZABULHPN-UHFFFAOYSA-N 303.811 2.662 0 40 DFAB C[C@@H]1Oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2[C@@H]1C 8754730 XHTVTTNGQSABSG-MNOVXSKESA-N 310.353 2.922 0 40 DFAB O=C(C[C@H]1OC(=O)c2ccccc21)N[C@H]1CCOc2ccccc21 7216825 OYAHRUOLFLKMIO-DOTOQJQBSA-N 323.348 2.928 0 40 DFAB Cc1cccc(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)c1 67656556 RVANWZWUYDPIQM-UHFFFAOYSA-N 303.383 2.675 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc2nccnc2c1 71279160 JHLUEOQQVPDELL-NSHDSACASA-N 323.356 2.824 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1cccc(F)c1)C2=O 7578688 DHEPMENINCIZFY-GTNSWQLSSA-N 318.348 2.509 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCCO 24536168 DZBFEOZCVLDPAA-VOTSOKGWSA-N 324.739 2.522 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)Sc2nnnn2C(C)C)c1 16453111 IRKAJQFQGZQIRU-NSHDSACASA-N 305.407 2.682 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)c1cccc2c1ccn2C 71186355 PWRMSXRJRSPRAB-UHFFFAOYSA-N 321.380 2.719 0 40 DFAB O=C(c1cc[nH]c1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245569 SOEWBFDRKVNUQJ-ZIAGYGMSSA-N 324.302 2.982 0 40 DFAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(CC(C)C)cc1 96998084 DIHBAEGHPPDNGX-INIZCTEOSA-N 324.490 2.648 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)Cc2cc(Cl)ccc2C(=O)O1 9451966 QBNLVPNTUFPASL-CQSZACIVSA-N 322.773 2.907 0 40 DFAB Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c2ccccc2n1 71839982 UAVYZGXBBAOCNF-OAHLLOKOSA-N 309.413 2.854 0 40 DFAB CCc1nc([C@H](C)NC(=O)NCc2ccc(C)nc2)cs1 71897607 PPTGIKDGIFQZEQ-NSHDSACASA-N 304.419 2.969 0 40 DFAB O=C(C1CCC1)N1CCN(C(=O)C2CCC2)C2(CCCCC2)C1 72298185 XKDYMXJCMGBIBL-UHFFFAOYSA-N 318.461 2.960 0 40 DFAB C[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1ccncc1 72270042 FHNRRHOCDAGFBH-NSHDSACASA-N 321.327 2.799 0 40 DFAB Cc1ccccc1C1(CNCc2c(C)nn(CCO)c2C)CC1 71924610 NIVBPGRZGLSJQD-UHFFFAOYSA-N 313.445 2.622 0 40 DFAB COc1ncc(C)cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 97113344 RWEHJWBUUAUJTI-AWEZNQCLSA-N 315.377 2.881 0 40 DFAB O=C(/C=C/c1cscn1)OC[C@@H]1Cc2cc(F)ccc2O1 84459432 ZJFHYUBUVWNSHY-OHVSUOQFSA-N 305.330 2.842 0 40 DFAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cn[nH]n1 89904764 PBDOMMONCAVJEI-VIFPVBQESA-N 310.810 2.770 0 40 DFAB O=C(NNc1ncccn1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502097 IURKQMJLJKNCJP-MNOVXSKESA-N 322.290 2.742 0 40 DFAB Cc1ccccc1C1(O)CCN([C@@H](C(N)=O)c2ccccc2)CC1 72795073 VSTUTOSZIXEQIL-GOSISDBHSA-N 324.424 2.505 0 40 DFAB c1cnc(-c2noc([C@H]3CCCCN3Cc3ccncc3)n2)nc1 95401523 ZTXKZYYVNHSNKY-CQSZACIVSA-N 322.372 2.649 0 40 DFAB Cc1cc(F)cc(S(=O)(=O)Nc2cnc3onc(C)c3c2)c1 95406396 HCAOCEVZJFNMKY-UHFFFAOYSA-N 321.333 2.780 0 40 DFAB C/C=C/C[S@@](=O)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 95417629 RZBSEIJCXRRAJI-YJWJMZSDSA-N 315.385 2.809 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CC[C@@H](CCO)C1 76091997 MSKPKWBNESPSJI-NSHDSACASA-N 324.450 2.822 0 40 DFAB CN(C)C(=O)c1cc(NC(=O)NC/C=C/c2ccccc2)ccn1 77717160 PVEBYOMOFNEXRQ-RMKNXTFCSA-N 324.384 2.618 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCC[C@@H]1N 85366502 BRACCFOEWXXKKB-AAEUAGOBSA-N 311.223 2.535 0 40 DFAB Cc1cc(NC(=O)C2CCN([C@H](C)c3cccnc3)CC2)no1 95955648 AZWXKGYARBOVFG-CYBMUJFWSA-N 314.389 2.790 0 40 DFAB CCSCCNc1ccc(Br)cc1C(=O)NC 95943734 OOGLLWPJEIHHMP-UHFFFAOYSA-N 317.252 2.974 0 40 DFAB O=C(O)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 95969569 MPXLETYGUWTTAF-RDBSUJKOSA-N 317.316 2.854 0 40 DFAB CCn1cc(CNCCNc2ncccc2C(F)(F)F)cn1 89306042 HCGMKLLKKRVFOI-UHFFFAOYSA-N 313.327 2.519 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1C[C@@H]1c1ccco1 75124476 ZWUJIYRFWZTEPS-IUCAKERBSA-N 312.247 2.729 0 40 DFAB C[C@H](CCc1ccco1)N[C@H]1CCCN(c2cccnn2)C1 89732135 MJFJXTPGPTVVBW-CABCVRRESA-N 300.406 2.649 0 40 DFAB Cc1csc([C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)n1 89705406 YDMZFKSOEUDSJK-ZDUSSCGKSA-N 302.403 2.933 0 40 DFAB O=C(CSCc1cccc2c1OCCO2)NC1CCCC1 89774313 DASHTSWPPXRLHJ-UHFFFAOYSA-N 307.415 2.750 0 40 DFAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Cc1ccc(F)cc1 89894948 MJGJEIDBSJGMIR-GUYCJALGSA-N 301.361 2.997 0 40 DFAB Cc1noc(CN2CC[C@H](OCCCc3ccccc3)C2)n1 79502899 CASVSVXZYTUPOX-INIZCTEOSA-N 301.390 2.602 0 40 DFAB COc1cccc(N(Cc2cccc(C)c2)S(C)(=O)=O)c1 408627886 QYDWLSQHWPZRDL-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB O=C(NCc1ccccn1)c1cn(C2CC2)c(=O)c2ccccc12 72401678 OFAHFWXRQZQNEX-UHFFFAOYSA-N 319.364 2.661 0 40 DFAB CSc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 39989080 KCLNKQWMYLPCKB-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1Cl 72227928 QUNXBYSPIATUPI-HUUCEWRRSA-N 320.751 2.903 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)c3ccccc32)nc1 35398806 HMPCOFIJENZSKG-UHFFFAOYSA-N 309.369 2.653 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)COc2ccccc2)C1 47416242 UDARPGDEXOFNJE-IYBDPMFKSA-N 304.434 2.550 0 40 DFAB COC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC1 226276199 OYKWTZKTSDNTOV-UHFFFAOYSA-N 316.279 2.574 0 40 DFAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)nn1 85470851 MFEQUBJEMBZGNV-HNNXBMFYSA-N 324.428 2.879 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cccc(OC)c2)cc1 224851343 DHOWZGNVWSNSSU-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB CSCC[C@@H](C(=O)NCCc1ccccn1)n1cccc1 575444545 XQXFIHFVNSKRER-HNNXBMFYSA-N 303.431 2.536 0 40 DFAB CC1(CNC(=O)c2cc(F)c(F)cc2Cl)OCCCO1 191151809 LTWDBSWSKMDZIQ-UHFFFAOYSA-N 305.708 2.501 0 40 DFAB Cc1nnsc1C(=O)NCc1ccnc(-c2ccsc2)c1 225754289 GXAYSBZGQZLICB-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C 223979563 YVAGROMOWLVEBB-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB O=C(Nc1nccs1)c1ccc(O[C@@H]2CCSC2)nc1 225714576 NJDPRVVWAICCPT-SNVBAGLBSA-N 307.400 2.675 0 40 DFAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 224664968 VKIDFUMWZSPZTM-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB O=C(NCc1cccs1)c1ccnc(O[C@@H]2CCSC2)c1 225719604 QCWXSPRJIQPMFL-GFCCVEGCSA-N 320.439 2.957 0 40 DFAB C[C@@H]1SCCN(C(=O)CCOCC(F)(F)C(F)F)[C@H]1C 191910673 BBHDDXFZXHZTIN-IUCAKERBSA-N 317.348 2.646 0 40 DFAB O=C(N[C@H]1CCCC[C@H]1O)N[C@@H]1CCCOc2cc(F)ccc21 195552589 XLLAZNIUEDXCRJ-QLFBSQMISA-N 322.380 2.642 0 40 DFAB CSCC(=O)NC[C@H](C)Oc1ccccc1Br 96451758 PBTYKHJBVLKQDR-VIFPVBQESA-N 318.236 2.696 0 40 DFAB CC1(C)C(=O)N(CC(=O)N2CCCCC2)c2ccc(Cl)cc21 96181629 QFQZMRQOCLHZMW-UHFFFAOYSA-N 320.820 2.977 0 40 DFAB O=C1OCCN1CCN1CC[C@H](CSc2ccccc2)C1 96441655 GZZFHRXGIQAMFO-AWEZNQCLSA-N 306.431 2.553 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccn2)c2c1CCCC2 96191738 HJNXKOIJLFMULF-UHFFFAOYSA-N 318.398 2.770 0 40 DFAB O=C(Nc1ccccc1OC(F)(F)F)N[C@@H]1CCC[C@@H]1CO 96433903 OPKSANNJFNLEIO-NXEZZACHSA-N 318.295 2.868 0 40 DFAB COC(=O)c1ccc(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 96434007 DUEKXNUHHWAIAI-ZIAGYGMSSA-N 300.358 2.903 0 40 DFAB O=C1OCCN1c1cccc2c1CCN(C[C@H]1CCCCO1)C2 96441597 KFMHUPMAZPYSMM-OAHLLOKOSA-N 316.401 2.570 0 40 DFAB O=S1(=O)CC(CCSc2cccc(Br)c2)C1 580991303 DSCRKOWACOFODU-UHFFFAOYSA-N 321.261 2.976 0 40 DFAB O=C(c1ccco1)N1CCc2ncnc(-c3ccoc3)c2CC1 96255164 FBLWUBCFZRISHA-UHFFFAOYSA-N 309.325 2.571 0 40 DFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1COc2ccccc21 95396700 LAJXDLBNZBFZQI-GDBMZVCRSA-N 313.401 2.590 0 40 DFAB COc1cccc([C@H](C)CC(=O)NC[C@H]2CCCC[C@H]2O)c1 245344183 XYQOFZBOKQQTNM-FRFSOERESA-N 305.418 2.856 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](C)c1nccs1 246918817 BPTBCSSPIDJHQW-MXWKQRLJSA-N 309.391 2.609 0 40 DFAB CCCn1ccc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C)n1 257265399 LYMXXFTYMDSYJR-AWEZNQCLSA-N 301.394 2.692 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cncs3)C2)cn1 257204501 AUXQMYHWADDGSA-CQSZACIVSA-N 301.415 2.941 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)c2cccc(OCC(=O)O)c2)CC1 263535898 OOAZIOYUGVHBBN-JSGCOSHPSA-N 305.374 2.849 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cccc(C3CC3)n2)C[C@@H](C)[S@@]1=O 296834137 JISPEFNDDAEGCX-GHIWOLQHSA-N 321.446 2.722 0 40 DFAB Cc1oncc1CNC(=O)c1cc(Br)cs1 575607079 XGQBUPHUEBHOKG-UHFFFAOYSA-N 301.165 2.737 0 40 DFAB Cc1csc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1 575608211 MIXFGMMEXPYHOT-UHFFFAOYSA-N 315.398 2.508 0 40 DFAB O=C(NCc1ccccc1Cl)c1ccc(-n2cccn2)nc1 49407296 PANGNSIIRQXOAC-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)[C@H](C)CC(C)C)cc1 57203525 HNLVRCYDFKKRNG-CYBMUJFWSA-N 315.417 2.981 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2cnc3ccccc3c2)c1 70918630 NKKXMIKVMPUFQX-UHFFFAOYSA-N 319.364 2.798 0 40 DFAB O=C(CCc1cc(F)ccc1F)N[C@@H]1c2ccccc2C[C@@H]1O 81703251 UOQNRDYXAHBVCP-FUHWJXTLSA-N 317.335 2.672 0 40 DFAB c1ccc2c(N3CCN(C[C@H]4CCCCO4)CC3)nsc2c1 1207958340 FJYBGUMXHVBOHY-CQSZACIVSA-N 317.458 2.987 0 40 DFAB O=C(CNCc1ccco1)Nc1ccc(OC(F)(F)F)cc1 5000521 JVYAMEPLSWERTM-UHFFFAOYSA-N 314.263 2.907 0 40 DFAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)OC)c12 11766052 MQAWGWDUDMSILB-LLVKDONJSA-N 304.342 2.994 0 40 DFAB C[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 12114604 SBRHCIVKXSWXJN-HNNXBMFYSA-N 310.397 2.695 0 40 DFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)C2CC2)C1 12220981 GDNJQICEEWRRTE-CQSZACIVSA-N 314.433 2.617 0 40 DFAB FC(F)(F)Oc1ccc(CNc2ncnc3[nH]ncc23)cc1 12556518 ACEDEJMTAWRBOL-UHFFFAOYSA-N 309.251 2.864 0 40 DFAB Cc1nc2ncn(-c3ccccc3)c2c(=O)n1Cc1ccco1 13207733 YWHIEKYGCFHTKX-UHFFFAOYSA-N 306.325 2.532 0 40 DFAB CCc1nc2ccccc2n1C1CCN(CC(OC)OC)CC1 162219009 PMCGBMYGRXDSGT-UHFFFAOYSA-N 317.433 2.855 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(Cc2cccnc2)CC1 1849134979 CQJCVZWMAFEHCQ-UHFFFAOYSA-N 317.824 2.626 0 40 DFAB C[C@H](Sc1nnnn1C(C)(C)C)c1nc(-c2ccco2)no1 29740209 YEQZKGDWHFMITG-QMMMGPOBSA-N 320.378 2.924 0 40 DFAB O=c1cc(-c2ccccc2)nc2sc(Br)nn12 38342018 QHWNMYGNCBEGCE-UHFFFAOYSA-N 308.160 2.581 0 40 DFAB in-vitro CCNC(=O)c1cc(-c2ccc(OCC)c(OCC)c2)on1 12412041 FOLKJJJLKGLYMH-UHFFFAOYSA-N 304.346 2.889 0 40 DFAB Cc1ccc(OCC2CCN(Cc3c(C)noc3C)CC2)nn1 1775966288 WLDKIGSCTPOGRL-UHFFFAOYSA-N 316.405 2.681 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CC[C@H](Oc2ccncn2)C1 575610736 OTCUFFFPEHZKTF-ZDUSSCGKSA-N 318.764 2.815 0 40 DFAB CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 5030845 VYQPXONVIDFZOU-UKTHLTGXSA-N 300.339 2.849 0 40 DFAB C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 73059512 LRJIWWWQLSKREH-VXGBXAGGSA-N 305.403 2.971 0 40 DFAB Cc1nc(N2CCCN(C)CC2)c2c3c(sc2n1)CCC3 38157 FZHZDQJGFFXYRH-UHFFFAOYSA-N 302.447 2.630 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O 81748 MFUIVWQODKKIPL-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CC(C)C1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 248840 UPXCUXHYFTZMNP-CYBMUJFWSA-N 300.280 2.795 0 40 DFAB O=C(/C=C/c1cccnc1)Nc1cccc(Cn2cccn2)c1 32469417 HERSNFFGCXQOTB-BQYQJAHWSA-N 304.353 2.978 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 582173 GKPPEYAGXZSMFM-UHFFFAOYSA-N 304.371 2.619 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1 1379706 VUXNAMPPHVINFC-HNNXBMFYSA-N 301.390 2.742 0 40 DFAB CCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1 4892467 RVYJBBQEJFVJOI-HNNXBMFYSA-N 319.405 2.608 0 40 DFAB O=C(O)[C@@H](Cc1cccs1)C(=O)OCCc1ccccc1 6574998 UUXHMVYYKKIRHG-CQSZACIVSA-N 304.367 2.777 0 40 DFAB O=[N+]([O-])/C(C(=C(Cl)Cl)N1CCCCCC1)=C1\NCCO1 100636338 WXVCVZVFZIUHJH-ZRDIBKRKSA-N 322.192 2.575 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4)nc3c2)C1 57327226 DGJLDCJPXAUDTD-LBPRGKRZSA-N 322.320 2.932 0 40 DFAB CCOc1cccc2c1OCC(C(=O)N[C@H](C)[C@@H]1CCCO1)=C2 46777404 ZXYYJWPAKYLXSN-DOMZBBRYSA-N 317.385 2.545 0 40 DFAB CN(C)[C@H](CNC(=O)c1cccs1)c1ccc2c(c1)OCO2 12196081 XTLVIXYFIORNCT-GFCCVEGCSA-N 318.398 2.510 0 40 DFAB COc1cccc(C(=O)NCCCCN2CCC(C)CC2)c1 47016233 GYQQFNVAMSNDLW-UHFFFAOYSA-N 304.434 2.937 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccccc1Cl 22968192 UBHDKJKNINBBFC-UHFFFAOYSA-N 305.809 2.891 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)c1 101275199 GWAIPQAVODHTAJ-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB Cc1ccc2c(CC(=O)NC3CCN(C)CC3)coc2c1C 23421555 UCFQPQBTIQOFLG-UHFFFAOYSA-N 300.402 2.803 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1 24470871 MILWHALMDDTNAT-UHFFFAOYSA-N 310.781 2.691 0 40 DFAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)OC12CCCCC2 57355706 IBROGVWHMBLRFV-HNNXBMFYSA-N 301.386 2.877 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)Nc2nnc(C3CC3)s2)cc1 43359249 XKKPHBCOJIQLAU-GFCCVEGCSA-N 318.402 2.579 0 40 DFAB Cc1cccc(NC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 100700562 QLEGWPDWXNOEIY-HUUCEWRRSA-N 323.396 2.808 0 40 DFAB COC(=O)C[C@H](NC(=O)COc1ccccc1)c1cccs1 25082047 DCLXSISNBJXJAV-ZDUSSCGKSA-N 319.382 2.548 0 40 DFAB O=C(Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CC=CCC1 56039269 OHYXFWQUVZMNEW-KRWDZBQOSA-N 314.429 2.856 0 40 DFAB CNC(=O)c1ccc(O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 69967757 VZBJMRRDFRQYCF-JTQLQIEISA-N 303.362 2.867 0 40 DFAB O=C(O)[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 62118323 MZBGPMCYADJOCL-JTQLQIEISA-N 316.184 2.859 0 40 DFAB Cc1noc([C@H](C)NC(=O)c2ccccc2Br)n1 58246160 QQQUJOFRSYWGGA-ZETCQYMHSA-N 310.151 2.632 0 40 DFAB COCc1ccccc1C(=O)NC[C@H]1CCCN(C(C)C)C1 58343936 AZOMPBOIYQRXCJ-OAHLLOKOSA-N 304.434 2.683 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 28195346 XRHJXEHJSJTSRX-CJNGLKHVSA-N 318.417 2.827 0 40 DFAB CC1CCC(NC(=O)NCc2ccc(-n3cccn3)nc2)CC1 45607814 XECDALAPCNOPMC-UHFFFAOYSA-N 313.405 2.645 0 40 DFAB COc1cccc(CN(C)C[C@H](O)COc2ccc(C)cc2)c1 12855319 FQTSNNKIVAQLQA-KRWDZBQOSA-N 315.413 2.875 0 40 DFAB O=C(CNC(=O)c1ccccc1Cl)NCC1CCCCC1 3549811 ZGVORHIWMIYGSJ-UHFFFAOYSA-N 308.809 2.766 0 40 DFAB Cc1ccc(F)c(NC(=O)CCNC(=O)c2ccsc2)c1 12987217 GXYKTLKEMGGFHS-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1C 5170752 QWFQUIHIEIJMIE-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB CC(C)CCN(C(=O)c1cccc(N2CCNC2=O)c1)C1CC1 71186211 MKFCCVIXENZAJN-UHFFFAOYSA-N 315.417 2.867 0 40 DFAB Fc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1 4322959 SGGOHKLUADUBDL-UHFFFAOYSA-N 320.331 2.962 0 40 DFAB CC[C@@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 65585681 NRTGEJCQXUQZFM-ZIAGYGMSSA-N 305.422 2.619 0 40 DFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)c1ccccc1 14250938 FPJWKHQCLSSBBH-SNVBAGLBSA-N 304.371 2.921 0 40 DFAB Cc1cccc(-n2nnc(C(=O)Nc3cnn(C(C)C)c3)c2C)c1 66386532 GZUGPGJGAYLDLH-UHFFFAOYSA-N 324.388 2.914 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1ccc(C)o1 15296582 KLTOKSJVQNOPKO-CQSZACIVSA-N 316.401 2.906 0 40 DFAB COc1cc(CCC(=O)NCCc2ccccc2)cc(OC)c1 7071087 FAISXCUCDGILPK-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)s1 7313865 GYCUCDPFOQEVLV-HWPZZCPQSA-N 320.414 2.740 0 40 DFAB CC[C@@H](Nc1ccc(OC)cc1OC)C(=O)Nc1nccs1 7467668 AZNUJHXKYWXBQH-LLVKDONJSA-N 321.402 2.990 0 40 DFAB CC1=NN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@](O)(C(F)(F)F)C1 15931659 VRQAYXGVHSXXGN-SCRDCRAPSA-N 312.291 2.649 0 40 DFAB O=C(CSCC(=O)c1ccccc1)NCCc1ccccc1 69349186 MWERBJIJBMMBRG-UHFFFAOYSA-N 313.422 2.961 0 40 DFAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccco1 8360474 XETIYTDQNZVIFX-ZDUSSCGKSA-N 312.369 2.826 0 40 DFAB CCOC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 17206337 QVLHJLUCXFPSDD-UHFFFAOYSA-N 309.347 2.791 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(F)c(F)c(F)c2)cn1 69699746 RTTKDCFJWJAGAU-ZDUSSCGKSA-N 309.291 2.815 0 40 DFAB O=C(c1ccc2c(c1)COC2)N1CCCC[C@@H]1Cn1cccn1 71865396 VUSJHNUCPVMKMJ-QGZVFWFLSA-N 311.385 2.608 0 40 DFAB CN(C)CCCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 71875052 NJJAKZOBGVLJDD-UHFFFAOYSA-N 321.421 2.555 0 40 DFAB CCOc1cccc(C(=O)NCC[S@](=O)c2ccccc2)c1 71893211 HAOIPVQOFUDHSK-JOCHJYFZSA-N 317.410 2.623 0 40 DFAB COC(=O)c1oc(CN2CCC[C@H](c3ccncn3)C2)cc1C 71808742 ZERXQHYIFPTTLK-ZDUSSCGKSA-N 315.373 2.544 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(C)c(OCC(F)F)c1 71862735 KZZNMGGYYHWFNO-SNVBAGLBSA-N 302.321 2.795 0 40 DFAB CSC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 84077331 WGZKXOMTGLOFDY-SNVBAGLBSA-N 321.414 2.647 0 40 DFAB O=C(NCC[S@](=O)c1ccccc1F)NC1CCCCC1 71913558 GFOQRZXISOTDCG-OAQYLSRUSA-N 312.410 2.565 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2cn3cc(C)ccc3n2)n1 9669637 MFFGBZWZQBSYEV-UHFFFAOYSA-N 314.414 2.971 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)CCC(C)(C)C 84169816 SKXOMRQDNDZIAI-UHFFFAOYSA-N 309.435 2.761 0 40 DFAB O=C(Nc1ccnc2ccnn12)c1cccnc1SC(F)F 72288508 NIVLRLMVVNBURK-UHFFFAOYSA-N 321.312 2.691 0 40 DFAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1 72280859 SFLLIMMPSNQJSR-SNVBAGLBSA-N 318.760 2.803 0 40 DFAB C[C@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 72230624 CFSSEHNGEAHFNR-AAEUAGOBSA-N 320.389 2.517 0 40 DFAB Cc1ccsc1CNC(=O)N[C@H](C)C(=O)Nc1ccccc1 72280841 PWPRHJNTNZHHFZ-GFCCVEGCSA-N 317.414 2.883 0 40 DFAB Cc1cc(CNC(=O)N(C)[C@@H](C)c2sc(C)nc2C)on1 72270204 VSKSPTFETYWAKJ-JTQLQIEISA-N 308.407 2.959 0 40 DFAB c1ccc2c(OCCNC[C@H]3CCc4nncn4C3)cccc2c1 72252931 SSRHDEUZRYKHII-OAHLLOKOSA-N 322.412 2.662 0 40 DFAB COc1c([C@H]2CCCN2Cc2c(C)noc2C)c(C)nn1C 72253663 WNJCHARSWAZSAE-CQSZACIVSA-N 304.394 2.679 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cncn3)c(C)c2)C1 76090089 QPHMQOVIBLQQCR-HUUCEWRRSA-N 315.373 2.690 0 40 DFAB C[C@@H](CO)NC(=O)c1cccnc1SCc1ccc(F)cc1 97392073 JMDVNIOGSVIAJK-NSHDSACASA-N 320.389 2.624 0 40 DFAB C[C@H](OC[C@H](O)CNc1ncnc2ncccc12)c1ccccc1 95434852 WYPIGWQIEOLQMW-DZGCQCFKSA-N 324.384 2.575 0 40 DFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1csnn1 95417659 DSASFJAWIQSWFF-AWEZNQCLSA-N 323.393 2.509 0 40 DFAB CCOc1ccc(Cl)c(C(=O)N[C@H](C)[C@@H]2CCCOC2)n1 95468411 UGQCMEZRYCADFT-GHMZBOCLSA-N 312.797 2.679 0 40 DFAB C[C@@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1 85457737 QDWDTWURSBRCJV-HZPDHXFCSA-N 308.466 2.883 0 40 DFAB CCCn1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 95991562 DHKHEPKVCFTSOA-GFCCVEGCSA-N 307.419 2.870 0 40 DFAB COc1cc(OC)cc(N2CC[C@H](NCc3ccco3)C2)c1 78996577 GCYXXAURMDJSJG-ZDUSSCGKSA-N 302.374 2.665 0 40 DFAB CCc1cccc2c(CC(=O)N(C)Cc3nccn3C)c[nH]c12 89289561 XTGCXEMHRMAKJF-UHFFFAOYSA-N 310.401 2.665 0 40 DFAB COc1cccc([C@H]2CCCN2CC(=O)NCc2ccco2)c1 9902333 UMGUBKVXAKXDAX-QGZVFWFLSA-N 314.385 2.742 0 40 DFAB O=C(Nc1ccc(NCCO)c(C(F)(F)F)c1)c1ccco1 75094645 RBNJQWHKYUEAFK-UHFFFAOYSA-N 314.263 2.955 0 40 DFAB Cc1nccn1C[C@H](C)OC(=O)c1cnn(-c2ccccc2)c1 75109498 STBCOBVFKLWKLC-ZDUSSCGKSA-N 310.357 2.623 0 40 DFAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc(C2CC2)nn1 89894196 ZHPQKKGNSXOYKB-AWEZNQCLSA-N 324.428 2.983 0 40 DFAB COC[C@@](C)(NC(=O)c1cc(C(C)C)nn1C)c1ccccc1 79737803 LZWCZJMEQGWNLX-GOSISDBHSA-N 315.417 2.835 0 40 DFAB C[C@@H](NC(=O)c1cccc(Br)c1)c1cnn(C)c1 27919397 OHWUYPWZDVXFBC-SECBINFHSA-N 308.179 2.674 0 40 DFAB CCc1cc(I)cc2sc(NN)nc12 22125108 QQCITXQARPDIDO-UHFFFAOYSA-N 319.171 2.749 0 40 DFAB CNS(=O)(=O)c1cccc(CNCc2ccc(C)cc2C)c1 66988990 ZWDJACGYDSRRNU-UHFFFAOYSA-N 318.442 2.501 0 40 DFAB Cc1ccc(CNC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 408706590 AADNJSRZWAIPDL-HNNXBMFYSA-N 310.397 2.531 0 40 DFAB Cc1ccc(-n2nc3c(N4CCOCC4)nnc(C)c3c2C)cc1 36646272 NZNQNZUDNFESMF-UHFFFAOYSA-N 323.400 2.577 0 40 DFAB O=C(c1cncs1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367667 RPBJABRAJVJXGH-LLVKDONJSA-N 312.398 2.724 0 40 DFAB CCOC(=O)CCCOc1ccc(Br)cc1C=O 38845213 CWMBRHNHJMTNOA-UHFFFAOYSA-N 315.163 2.984 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Cc2cccs2)C1 79352892 XVYFFNUZDOKXTI-GFCCVEGCSA-N 324.446 2.806 0 40 DFAB CCOC(=O)C1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 73846790 VAZIVHIONLLITJ-GXTWGEPZSA-N 319.376 2.873 0 40 DFAB Cc1ccc2nc(SCc3ccc(F)cc3)n(N)c(=O)c2c1 71327782 KUMQGISNMULFLR-UHFFFAOYSA-N 315.373 2.850 0 40 DFAB COc1ccc2c(CN3C[C@@H]4CCCN4C[C@H]3C)cn(C)c2c1 72324717 FJXBGAWPXSVIFQ-ZBFHGGJFSA-N 313.445 2.855 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCc3nc(C)sc3C2)s1 41194397 NSHOHYZGTCDLNX-UHFFFAOYSA-N 314.457 2.568 0 40 DFAB O=C(C[C@H]1C=CCC1)NCC1CCN(CC(F)(F)F)CC1 187012179 BAEXLHDKXIMAPU-LBPRGKRZSA-N 304.356 2.733 0 40 DFAB CCOc1cccc2c1OCC(C(=O)NCC(F)(F)F)=C2 46786901 BBQWLGILEPYCSV-UHFFFAOYSA-N 301.264 2.540 0 40 DFAB O=C(NC[C@@H](O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 75171791 VGVGMBNQIVJYFM-GFCCVEGCSA-N 315.247 2.642 0 40 DFAB CC[C@@H](C(=O)NCc1nc(C)cc(N(C)C)n1)c1ccccc1 224187449 MKLCHJSGNHRALN-OAHLLOKOSA-N 312.417 2.661 0 40 DFAB Cc1cc(C(=O)NC[C@](C)(O)c2ccco2)c(C)n1C1CC1 81835327 YSWRNXILLSZBDZ-KRWDZBQOSA-N 302.374 2.670 0 40 DFAB CC1(C)CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H]2CCC[C@H]21 573123982 QLUPIQUMUXYWBJ-CABCVRRESA-N 301.386 2.964 0 40 DFAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1F 42646075 KZKABHVKIVIFQA-ZDUSSCGKSA-N 314.360 2.993 0 40 DFAB CCO[C@@H]1C[C@](O)(CNC(=O)c2ccccc2Cl)C1(C)C 191789513 KBWZNVCUJWIBJK-CJNGLKHVSA-N 311.809 2.636 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181857 UYJRYXOJNWUAHT-GOEBONIOSA-N 306.381 2.604 0 40 DFAB CCc1nsc(NCc2ccc(C(=O)N3CCCC3)cc2)n1 96455757 PKWUOPLEPROAJO-UHFFFAOYSA-N 316.430 2.949 0 40 DFAB CCc1c([C@@H](C)NCCS(C)(=O)=O)oc2ccc(C)cc12 96493375 JXZXMOZQEMNUJS-GFCCVEGCSA-N 309.431 2.999 0 40 DFAB Oc1ccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 96090683 JZAOKHZKTHHCJX-OALUTQOASA-N 308.425 2.956 0 40 DFAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 96227299 DUYFJRUSHJOMCD-RHSMWYFYSA-N 319.380 2.594 0 40 DFAB CN(Cc1cc(F)cc(C(F)(F)F)c1)Cc1ncnn1C 93810872 TVEFMTFQDHGMRA-UHFFFAOYSA-N 302.275 2.605 0 40 DFAB COc1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1 96431599 SKCXGXQXRRFVGV-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1ccc(C[C@@H](C)CN(C)C(=O)c2cncc(O)c2)cc1 96485783 FOGHYWUJWQLXAI-CYBMUJFWSA-N 314.385 2.747 0 40 DFAB CC(C)[C@H]1N(C(=O)NCCc2cnccn2)CC12CCCC2 582710759 BQRCFSXWOQIXNP-OAHLLOKOSA-N 302.422 2.629 0 40 DFAB CCN(C(=O)COc1cccc(-n2cncn2)c1)c1ccccc1 96447949 LKVVMVYPRFAEMG-UHFFFAOYSA-N 322.368 2.699 0 40 DFAB C[C@@]1(CNC(=O)c2c(F)cc(F)cc2F)CCCC[C@H]1O 96450839 HNKDVRVQSQFUQM-DOMZBBRYSA-N 301.308 2.775 0 40 DFAB CN(C)C(=O)CCOC(=O)c1ncoc1-c1ccccc1Cl 96441889 IHAGUALQLZJPFJ-UHFFFAOYSA-N 322.748 2.630 0 40 DFAB Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)ncn1 97371931 GYICLSDWSABTMA-UHFFFAOYSA-N 319.412 2.787 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 96053878 IBSIUYXHEMSVNE-QZTJIDSGSA-N 311.404 2.785 0 40 DFAB CC(C)CO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cccs1)C2 248160129 KLZINXRZSOXQST-SCRDCRAPSA-N 315.460 2.572 0 40 DFAB CCn1cc(CN2CCCC[C@H]2c2ccnc(NC)n2)c(C)n1 257326189 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O=C(CSc1nnc(CCc2ccccc2)o1)N1CCCC1 96430416 QEHDJBQJMDIHEE-UHFFFAOYSA-N 317.414 2.569 0 40 DFAB CCOP(=O)(COC(=O)C(C)(C)Br)OCC 223333742 LHAQQKNVOHIBBQ-UHFFFAOYSA-N 317.116 2.927 0 40 DFAB Cc1cccc(CC(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)c1 12114754 QNAWHCWNEGPWLQ-CYBMUJFWSA-N 321.384 2.595 0 40 DFAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-n2ccnc2)cc1 15554503 QXLADFXXWAKEBA-KRWDZBQOSA-N 304.353 2.751 0 40 DFAB COc1ccccc1NC(=S)NCCc1ccc(O)cc1 17030839 WNXNBXNKYYASPN-UHFFFAOYSA-N 302.399 2.930 0 40 DFAB OC1(c2cccnc2)[C@H]2CCC[C@@H]1CN(Cc1ccncc1)C2 19338247 VFXSTQQWCCDMFU-DFNIBXOVSA-N 309.413 2.596 0 40 DFAB O=C(/C=C/c1ccccc1)NCCNC(=O)/C=C/c1ccccc1 1698219 KRKHZGROVOQDOS-PHEQNACWSA-N 320.392 2.646 0 40 DFAB Nc1cc(C(=O)OCC(=O)Nc2ccccc2F)ccc1Cl 3451600 CEMIOXWFCJANAX-UHFFFAOYSA-N 322.723 2.857 0 40 DFAB Clc1cnccc1N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889108925 FUKFGYGXMKGYAL-DOMZBBRYSA-N 300.793 2.845 0 40 DFAB c1ccc2oc(N3CCC(COc4cnccn4)CC3)nc2c1 1889179517 DZUVSHUJFLZSEI-UHFFFAOYSA-N 310.357 2.913 0 40 DFAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCOCC2)cc1 28107573 AFONUNGSBWDTNT-UHFFFAOYSA-N 316.426 2.828 0 40 DFAB COc1ccc(N[C@@H](C)c2nc(C)no2)cc1N1CCCC1=O 30502324 DJQKSENIVOWART-JTQLQIEISA-N 316.361 2.687 0 40 DFAB COc1ccccc1CNC(=O)Nc1ccc(NC(C)=O)cc1 30995384 OMHKEKLJANJSAK-UHFFFAOYSA-N 313.357 2.975 0 40 DFAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccco1 12180712 NNZBENKSXDWBKJ-UHFFFAOYSA-N 303.705 2.502 0 40 DFAB COc1ccc(CCC(=O)NC[C@@H](OC)c2ccco2)cc1 206859923 QVNUCBFRXMOEAT-MRXNPFEDSA-N 303.358 2.725 0 40 DFAB CC[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1OC 40514169 DXNZFIUUKBKLMB-CYBMUJFWSA-N 322.430 2.821 0 40 DFAB C[C@@H](CNC(=O)Nc1cccnc1)N1CCc2sccc2C1 40505476 IAHCKRBCFZANDJ-LBPRGKRZSA-N 316.430 2.711 0 40 DFAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 376987 VWFQCBLRASBODV-GFCCVEGCSA-N 313.353 2.957 0 40 DFAB CC[C@H]1CCCN(C(=O)NCc2cccnc2-n2cccn2)C1 46094248 TWVIAZWEBKCTQU-AWEZNQCLSA-N 313.405 2.599 0 40 DFAB Cc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1 21055285 CWVNXBFCQJIOFW-HUUCEWRRSA-N 304.434 2.613 0 40 DFAB CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 2644050 VYGXXEHGVHWMNE-UHFFFAOYSA-N 304.346 2.629 0 40 DFAB O=c1[nH]c(=O)n(CCCc2ccccc2)cc1-c1ccccc1 1699671 JWBKMBTZFKSJIA-UHFFFAOYSA-N 306.365 2.836 0 40 DFAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(F)cc1 32777146 XXGAAYZNNKQJRK-QMMMGPOBSA-N 310.712 2.991 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)c1sc2cccc(F)c2c1C 32739340 KVABPQSIFKJAJZ-JTQLQIEISA-N 322.405 2.993 0 40 DFAB CCCNC(=O)NC(=O)CSc1nc2ccccc2s1 3503931 RCUZCZZCOXOXHJ-UHFFFAOYSA-N 309.416 2.624 0 40 DFAB CCCOCc1ccccc1CNc1ncnc2c1cnn2C 52428704 XPEJKYRCJKPSOC-UHFFFAOYSA-N 311.389 2.902 0 40 DFAB COc1ccc(CCC(=O)N[C@H](C)c2nnc3ccccn23)cc1 32809131 GETSALLMXSZSEG-CYBMUJFWSA-N 324.384 2.548 0 40 DFAB COc1ccc(-c2noc(CCCC(=O)NC(C)(C)C)n2)cc1 4433261 DPGUEIXFMCPFNI-UHFFFAOYSA-N 317.389 2.983 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1 2647791 WNVSIBPLGGXOMW-YPMHNXCESA-N 310.394 2.835 0 40 DFAB CCCNC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835876 OZKYUPBQBHUWJH-UHFFFAOYSA-N 304.419 2.502 0 40 DFAB CC1=NN(C(=O)[C@H]2C[C@@H]2c2ccccc2)[C@](O)(C(F)(F)F)C1 6394415 VRQAYXGVHSXXGN-MBNYWOFBSA-N 312.291 2.649 0 40 DFAB CCOC(=O)c1cccc(Nc2nc3c(c(=O)[nH]2)CCCC3)c1 11903472 PVVARQJFYRPTIB-UHFFFAOYSA-N 313.357 2.569 0 40 DFAB O=C(NCC[C@H]1CCCNC1)c1sccc1Br 104299160 SHPWSELSNOAJMU-SECBINFHSA-N 317.252 2.630 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 33015172 AOKDJYSZYLHUDR-GOSISDBHSA-N 313.397 2.761 0 40 DFAB O=C1C(=O)N(CCOc2ccccc2Cl)c2ccccc21 2700380 WQTRWQQRKDITBN-UHFFFAOYSA-N 301.729 2.948 0 40 DFAB C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@H](c2ccsc2)O1 89936964 VDHMWURKVAVJMX-IUODEOHRSA-N 317.414 2.815 0 40 DFAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(-c3ccccc3)on1)C2 103153013 ILWXCWJBPVJZOC-GJZGRUSLSA-N 311.385 2.697 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOc1ccccc1F 69620849 ACRAXEXWXRWHQO-SJORKVTESA-N 320.408 2.680 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)o1 102747022 WAAZSQYSDMVWRB-SDADXPQNSA-N 301.386 2.954 0 40 DFAB COC(=O)c1ccc(C)c(OCC(=O)N[C@@H](C)c2ccco2)c1 69656595 DOAKNOUFHYBKFH-LBPRGKRZSA-N 317.341 2.631 0 40 DFAB Cc1[nH]ncc1C(=O)Nc1ccc(NC2CCOCC2)cc1 69657303 KXIHTKAGQJHKIS-UHFFFAOYSA-N 300.362 2.561 0 40 DFAB CCN1CCOc2ccc(NC(=O)c3ccccc3)cc2C1=O 9828145 CAFWIZQZIGDICD-UHFFFAOYSA-N 310.353 2.793 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1CCCCCC1)CC2 89986327 WFUPIGYCLOFZOK-HOTGVXAUSA-N 309.450 2.735 0 40 DFAB Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n(C)n1 33879416 SNCWHZGTJRUFFK-UHFFFAOYSA-N 319.308 2.548 0 40 DFAB CC(C)(C)C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 3037942 HGVKDWHSABRNMY-UHFFFAOYSA-N 324.174 2.594 0 40 DFAB Cc1cc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)[nH]n1 47555218 CQOCZRIIKQDNLP-UHFFFAOYSA-N 322.368 2.630 0 40 DFAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1Cc1ccc(F)cc1 100214632 WRTOLYREEMTYNQ-GJZGRUSLSA-N 313.376 2.762 0 40 DFAB COc1ccc([C@@H](NC(=O)NC[C@@H]2CCCOC2)C2CC2)cc1 56374008 CTTXPXMQVMDQCZ-GUYCJALGSA-N 318.417 2.872 0 40 DFAB C[C@@H](NC(=S)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 44153517 WTYXZTSTAWXATJ-SNVBAGLBSA-N 318.446 2.658 0 40 DFAB CO[C@@H](CNC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 76066232 XPVZYFCCEHQBKP-KGLIPLIRSA-N 312.797 2.506 0 40 DFAB CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@@H]2CCCO2)cc1 76016768 WSRXCNBYVDAGIE-JKSUJKDBSA-N 305.418 2.703 0 40 DFAB COc1cc(NC(=O)c2ccc(C)cc2)c(C(=O)O)cc1OC 12699686 WJTJWMLQLXAJAO-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CC(C)(C)CCN1CCN(Cc2nc(C(C)(C)C)no2)CC1 58007462 TUQIYPUNSQJRCA-UHFFFAOYSA-N 308.470 2.921 0 40 DFAB CCOCCCNC(=O)N1CCN(c2cccc(C)c2C)CC1 10079337 PKTUNZXGJWJSMV-UHFFFAOYSA-N 319.449 2.562 0 40 DFAB O=C(c1cccnc1S)N1CCC(OC2CCCC2)CC1 58263901 ZLHVAOZUYROBET-UHFFFAOYSA-N 306.431 2.934 0 40 DFAB O=C(NC1CC1)c1ccccc1OCc1cn2ccccc2n1 27769577 OKYNDNZWNHHOTR-UHFFFAOYSA-N 307.353 2.806 0 40 DFAB Cc1cc(NC(=O)NCCOc2c(C)cccc2C)n(C)n1 44944994 MMSUYDHZXUSSQF-UHFFFAOYSA-N 302.378 2.546 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2ccsc2)n1 44953261 JBQXMYICPLRZKV-GFCCVEGCSA-N 305.447 2.947 0 40 DFAB CCCCc1nnc2sc(NC(=O)c3ccc(F)cc3)nn12 20902126 ODKUKMNLWDZYAL-UHFFFAOYSA-N 319.365 2.920 0 40 DFAB Cc1nnc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)s1 58331213 FRKHDUXJYKOLCG-SNVBAGLBSA-N 319.434 2.665 0 40 DFAB Cc1nc2cc(NC(=O)Cc3ccccc3C(=O)O)ccc2[nH]1 48264179 QTTHWXGUIYFKJH-UHFFFAOYSA-N 309.325 2.751 0 40 DFAB Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2C)c(=O)[nH]1 12748733 AGQLAWRNPJLZQV-GFCCVEGCSA-N 313.401 2.505 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 12763974 CONUWSFFTWFQAT-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc2ccccn12 48374443 JMZZUAMPTRNHRQ-SNVBAGLBSA-N 300.749 2.874 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C(N)=O)c1 12891665 XGCUSKNCLWAJNE-CYBMUJFWSA-N 312.369 2.808 0 40 DFAB O=C(COC(=O)Cc1ccsc1)NCc1ccccc1Cl 3472694 LOJLWPJMFAYMKL-UHFFFAOYSA-N 323.801 2.804 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CCc1ccco1 69841377 NCPHPDSLBPQPKS-CYBMUJFWSA-N 322.405 2.728 0 40 DFAB CCNc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 18118594 GVUJECFXZFKEBV-AOOOYVTPSA-N 314.480 2.852 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1 13404092 ISDNXCFGUUFPEI-XBXARRHUSA-N 323.348 2.901 0 40 DFAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)Nc1c(C)n[nH]c1C 92348981 QDJJNJHDTQJIGF-FZZIBODNSA-N 308.426 2.988 0 40 DFAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)NCc1ccccc1 6064504 YECANEDQEQVYAB-LLVKDONJSA-N 318.760 2.597 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2CCCO2)c1 65499994 IUXIOEBNLJMYQN-ZBFHGGJFSA-N 305.374 2.546 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccncc1 65562554 PPEYTJHBRNPLBS-YGRLFVJLSA-N 313.332 2.524 0 40 DFAB COc1cccc(CC(=O)NC[C@H]2COc3ccccc3C2)c1 8941830 ICRZVEVELUFLSH-HNNXBMFYSA-N 311.381 2.605 0 40 DFAB Cc1csc(=O)n1CCC(=O)Nc1cccc2cccnc12 8982420 WVYMASLNXYMVFP-UHFFFAOYSA-N 313.382 2.795 0 40 DFAB Oc1cc(CSc2ncccn2)nc2nc3ccccc3n12 9059840 AVBRYXLTDFRDLH-UHFFFAOYSA-N 309.354 2.670 0 40 DFAB CC[C@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 5451698 JPPGMMPKEPYQHG-INIZCTEOSA-N 307.357 2.795 0 40 DFAB CS(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Cl 14467970 BFYMOMSOQXHWNX-UHFFFAOYSA-N 310.758 2.963 0 40 DFAB O=S(=O)(Nc1ncccn1)c1cc(Cl)ccc1Cl 4797217 XVCRJNXQICMDCG-UHFFFAOYSA-N 304.158 2.584 0 40 DFAB CCOc1c(Cl)cc(C(=O)NCCCOC)cc1OC 6844398 HUFFMHLTBZPRRK-UHFFFAOYSA-N 301.770 2.514 0 40 DFAB CCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)nn1C 9156135 MMIMIJLBBJFTBP-UHFFFAOYSA-N 302.378 2.764 0 40 DFAB Cc1ccccc1CSc1ccc(S(=O)(=O)N(C)C)cn1 7134658 DGIJKKRYWMHIBG-UHFFFAOYSA-N 322.455 2.933 0 40 DFAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1cccc2ccccc12 9509102 ZMLWJCMBEKBMCV-VIFPVBQESA-N 313.386 2.659 0 40 DFAB NC(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 9314912 ZRQBBAOKFGQVPA-UHFFFAOYSA-N 322.286 2.986 0 40 DFAB Cc1cnn(C[C@H](C)NCc2c[nH]nc2-c2cccs2)c1 69490057 HSQFRKRIPMCJCM-LBPRGKRZSA-N 301.419 2.821 0 40 DFAB Cc1ccc(-c2nnc(CN3CCc4cnc(C)nc4C3)o2)cc1 69420791 HJPNKYILKPXMBA-UHFFFAOYSA-N 321.384 2.702 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@H]1[C@H]1CCCN1C(C)=O 71880415 LPEIQZJBGWUVHE-DLBZAZTESA-N 320.408 2.810 0 40 DFAB CN(C)C1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 71828414 LRQNYWBRVUCCSU-UHFFFAOYSA-N 317.364 2.647 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1Cn1cccn1 71866264 JEBZJXKPUNXVCL-ZDUSSCGKSA-N 301.415 2.738 0 40 DFAB Cc1cc(NC(=O)CCCNC(=O)C2CC2)c2ccccc2n1 96998713 ONCBZYYCDWTHPI-UHFFFAOYSA-N 311.385 2.788 0 40 DFAB CC(=O)c1ccccc1NC(=O)CCCSc1cn[nH]n1 97012089 PCQDPUYVWXKZDI-UHFFFAOYSA-N 304.375 2.518 0 40 DFAB Cc1ncccc1N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 97038303 SAHQJECEEISJFR-LBPRGKRZSA-N 319.430 2.813 0 40 DFAB Fc1ccc2ncnc(NCCCOC[C@@H]3CCOC3)c2c1 72293808 CBFRJTGDZJZIKH-LBPRGKRZSA-N 305.353 2.624 0 40 DFAB CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1 97165575 AVVQFPWRXTVNFH-VXGBXAGGSA-N 324.425 2.558 0 40 DFAB Cc1cc([C@H](C)NCC(=O)Nc2c(C)n[nH]c2C)c(C)s1 97109662 NLQIVFUDJRBMDC-VIFPVBQESA-N 306.435 2.994 0 40 DFAB CN1CCN(Cc2cn(C)nc2-c2ccncc2)c2ccccc21 97236440 WPPDEYRUNZCRDS-UHFFFAOYSA-N 319.412 2.939 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccc(F)c(Cl)c1F)C1CC1 97376792 FHOFBXQGBAACKP-LLVKDONJSA-N 302.752 2.688 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COc1ccc(-c2nnco2)cc1 97603635 VZJOCVOLAFFKKG-CQSZACIVSA-N 315.373 2.907 0 40 DFAB C[C@H](NC(=O)[C@H](C)n1cncn1)c1csc2ccccc12 95381551 NKCMGXNHWOJBFR-QWRGUYRKSA-N 300.387 2.931 0 40 DFAB COCC1(C)CCN(C(=O)[C@H](C)Cc2c(C)noc2C)CC1 95459620 DSEJJCKCCLYFJX-GFCCVEGCSA-N 308.422 2.745 0 40 DFAB C[C@H](NC(=O)C1CCOCC1)c1cccc(N2CCCC2)c1 88219112 KREINNLSKIBKAS-AWEZNQCLSA-N 302.418 2.891 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)s2)C1 95969516 LQGMXVJZEBHCRH-VIFPVBQESA-N 301.795 2.657 0 40 DFAB CN1CC[C@H]2[C@H](CCCN2C(=O)NCCSC(C)(C)C)C1 95996333 UFRRAEJQTYEDEV-KGLIPLIRSA-N 313.511 2.644 0 40 DFAB Cc1ccc(-n2nc(NC(=O)NCc3cnn(C)c3)cc2C)cc1 95987524 NRPPUFBUHSXNBH-UHFFFAOYSA-N 324.388 2.544 0 40 DFAB CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1sccc1SC 89385906 UBAPRNVTPYZSLE-NXEZZACHSA-N 312.460 2.505 0 40 DFAB Cc1csc([C@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)n1 110681564 FBKQBRYFUVFWLE-FDYHWXHSSA-N 307.419 2.522 0 40 DFAB COC(=O)[C@H](OC(=O)CCc1ccc(F)cc1)c1cccnc1 89396356 RRVJEUXQWFFJCB-MRXNPFEDSA-N 317.316 2.611 0 40 DFAB CN(C)c1ccc(NC(=O)N2CCc3sccc3C2)cn1 89326686 JVQVWHIGHCMEGU-UHFFFAOYSA-N 302.403 2.799 0 40 DFAB COC[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CCO1 89409987 JYAQZTICPRXHFZ-CYBMUJFWSA-N 308.378 2.801 0 40 DFAB O=C(C[C@H]1CCNC1)NCCc1ccc(Cl)cc1Cl 89741237 LGHIRSWPAOEQJE-SNVBAGLBSA-N 301.217 2.652 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1cccc(C)c1C 22051735 CSSPVXXITDQTQS-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB O=C(O)c1cccc(Nc2cc(C(=O)O)ccc2C(=O)O)c1 3843493 WRIFKAUEZLVBAD-UHFFFAOYSA-N 301.254 2.525 0 40 DFAB biogenic NC(=O)c1ccc2oc(-c3cncc(Br)c3)nc2c1 216795308 BGTOAVCKZHSDSI-UHFFFAOYSA-N 318.130 2.751 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H]1CCCOC1 182622452 QOLWQIXAZJEAQH-HUUCEWRRSA-N 320.437 2.832 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc(OC)c1C 36837920 HPGAUZZBCBSPEY-NSHDSACASA-N 317.389 2.545 0 40 DFAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(C)C)=N1 33740990 SUFIWADAWVFTRX-AWEZNQCLSA-N 303.431 2.835 0 40 DFAB COC(=O)CC1CCN(C(=O)c2cccc3c2ccn3C)CC1 79486606 RUOVYJQFVISETM-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1nnc(C2CCC2)s1 71288664 DAXVDJDYAPALPS-UHFFFAOYSA-N 317.370 2.685 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCN(C)C3)cc2F)n1 568422689 DQZXTBIKJZWDOK-CYBMUJFWSA-N 316.380 2.518 0 40 DFAB COCCNC(=O)c1ccc(N[C@H](C)c2ccccc2)c(N)c1 225413265 KJPUTLDYWYCSAK-CYBMUJFWSA-N 313.401 2.818 0 40 DFAB Cc1ccc(CNC(=O)c2ccco2)c(OC[C@@H]2CCOC2)c1 96461610 CQKQHXRAWPBZLF-CQSZACIVSA-N 315.369 2.933 0 40 DFAB CC(C)=CCC[C@@H](C)NC1CCN(C(=O)c2cnccn2)CC1 90052525 YAQDHBGPHUNOJN-OAHLLOKOSA-N 316.449 2.806 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CC(=O)N(C)c3ccccc32)on1 96450790 RVHAJRHODZUENG-NSHDSACASA-N 313.357 2.811 0 40 DFAB c1cc(COC[C@]23CCCO[C@H]2CCN(CC2CC2)C3)ccn1 96040207 ZYEGLNDIFPNSDT-RBUKOAKNSA-N 316.445 2.879 0 40 DFAB Cc1ccc(NC(=O)C[C@H](C)NCc2cnn(C)c2C)c(C)c1 90888141 UJRXCDZMILUJPD-AWEZNQCLSA-N 314.433 2.852 0 40 DFAB O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccccn1 96460946 DMZOSFBPRCHLFV-UHFFFAOYSA-N 314.732 2.673 0 40 DFAB CCOCC(=O)O[C@@H]1CCOc2ccc(Br)cc21 96442602 BZTYUJNTANMSSB-GFCCVEGCSA-N 315.163 2.852 0 40 DFAB c1ccc(Cn2ccnc2CCN[C@@H]2CCCSC2)cc1 97370910 DQBGANIXSJPHJD-MRXNPFEDSA-N 301.459 2.959 0 40 DFAB CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)CC12CCOCC2 96052089 JHKYHRYVCRBCAL-HNNXBMFYSA-N 322.474 2.501 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1OCC 95534605 PMQDZQJUTZFJOJ-MRXNPFEDSA-N 318.421 2.849 0 40 DFAB O=C(CCCn1ccnc1)N1CCC[C@H](Cc2ccccn2)C1 257213547 CIAQPSKJPRLRFD-MRXNPFEDSA-N 312.417 2.540 0 40 DFAB CC1(c2nccs2)CCN(C(=O)Cn2cc(Cl)cn2)CC1 257340308 ZFLAJSPGPQGRFQ-UHFFFAOYSA-N 324.837 2.573 0 40 DFAB O=C(CCc1ccccc1F)N1CCC(c2cnccn2)CC1 257292199 QKLGHZCENDHDMQ-UHFFFAOYSA-N 313.376 2.955 0 40 DFAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 257316476 VFTUAQFKYAPTTO-MPGHIAIKSA-N 324.428 2.713 0 40 DFAB O=C(NC1CCOCC1)c1ccnc(Cc2ccc(F)cc2)c1 257341509 ZKQAVTNDCIGKLW-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2C(=O)OC[C@H]2C)n1 257322122 WERJAVDBKVWRBU-GFCCVEGCSA-N 318.421 2.718 0 40 DFAB COc1c(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cc1C 263004828 PDWXBTQNPTZINN-AEGPPILISA-N 317.385 2.637 0 40 DFAB CCc1nc(CNC2(c3cccc(F)c3)CCOCC2)no1 89290022 QLSJJVOHSBRLNZ-UHFFFAOYSA-N 305.353 2.567 0 40 DFAB O=C(CNc1ccc(Br)cc1Cl)NC1CC1 36962812 DWEVJCOHKLSAOV-UHFFFAOYSA-N 303.587 2.793 0 40 DFAB CCCN[C@@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5708035 BORSITRQRUBBFL-HNNXBMFYSA-N 300.358 2.621 0 40 DFAB O=C(Nc1cccc(Cl)c1)NS(=O)(=O)c1ccccc1 1737271 YEEMSMGJJVHUMK-UHFFFAOYSA-N 310.762 2.850 0 40 DFAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncccn2)nn1 1776009703 XMTGEZHQXSTWPF-PBWFPOADSA-N 312.421 2.738 0 40 DFAB CCn1cc(Br)c(C(=O)NCCc2ccccc2)n1 27971454 SZCVCKAFKVTTMD-UHFFFAOYSA-N 322.206 2.638 0 40 DFAB C=CC(=O)Nc1cccc(C(=O)N(C)Cc2ccn(CC)c2)c1 1556197972 QHPQHUFGHQVAFK-UHFFFAOYSA-N 311.385 2.905 0 40 DFAB Cc1nnc(N2CC(COc3cccnc3)C2)c2ccccc12 1775973953 UCDJVKNSZJNLNG-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)nc2)c1 40068231 RNUCVGQSMNPKNP-UHFFFAOYSA-N 311.385 2.626 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnnn1C1CCCC1 1238091 MNMCTQODPOJJLW-RYUDHWBXSA-N 323.466 2.670 0 40 DFAB CC[C@H](Cn1ccnc1)n1cnc2cccc(Cl)c2c1=O 32580890 JVVQBZPEOMOJDJ-LLVKDONJSA-N 302.765 2.898 0 40 DFAB Cc1csc2nc(COC(=O)c3ccccc3F)cc(=O)n12 6084591 JQIGJPKRBCOLAZ-UHFFFAOYSA-N 318.329 2.561 0 40 DFAB O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1 6276759 FRPYEZCDAKQOON-UHFFFAOYSA-N 315.348 2.885 0 40 DFAB CC(C)OC(=O)CCNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 32865787 ZJAZGURLIORNPN-LBPRGKRZSA-N 310.369 2.870 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1C 69773627 QJLJASTXYRDUMY-IAGOWNOFSA-N 303.450 2.824 0 40 DFAB Nc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 7572409 DVKTWLHWYHAPGL-UHFFFAOYSA-N 309.199 2.865 0 40 DFAB CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1 418340 YBXRLEIBTIFFGJ-UHFFFAOYSA-N 300.343 2.737 0 40 DFAB Cc1[nH]c2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2c1C 12048055 GUPCLOYBXSOCBO-QGZVFWFLSA-N 321.380 2.741 0 40 DFAB Cc1ccc(C)c(OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1C 32963800 SOEXTZURWLXAGY-CXAGYDPISA-N 319.426 2.971 0 40 DFAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccc(F)cc1 7376712 QTJQJDJAECKSEN-VIFPVBQESA-N 320.295 2.731 0 40 DFAB Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@@H]3c1ccccc1 12274883 KKPPCOVECFCNOC-SNVBAGLBSA-N 311.366 2.767 0 40 DFAB c1cc(CNCc2ccc3c(c2)OCO3)c2c(c1)OCCCO2 47495918 COSKAQHDVLPYEA-UHFFFAOYSA-N 313.353 2.866 0 40 DFAB CC(C)CN1C[C@@H](C(=O)Nc2cccc3c2ccn3C)CC1=O 61717996 WUGOFNMGCLCOHC-ZDUSSCGKSA-N 313.401 2.621 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102351451 YGTMCRFFSFWHOX-JTNHKYCSSA-N 304.415 2.948 0 40 DFAB COC[C@@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 29602752 ZOICEWZACAQOJN-SNVBAGLBSA-N 322.405 2.951 0 40 DFAB CCOc1ncccc1CNC(=O)CCC(=O)c1cccs1 23101884 DUCNQBZWUKVZBO-UHFFFAOYSA-N 318.398 2.821 0 40 DFAB Nc1cccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 3285995 IPWLNROFUPWUKZ-QGZVFWFLSA-N 324.380 2.619 0 40 DFAB NC[C@H]1CCCCN1C(=O)c1ccc(Br)cc1F 44540953 OTWKKLOAMDPARQ-SNVBAGLBSA-N 315.186 2.542 0 40 DFAB c1ccc(Cc2noc(CN3CCC(c4cc[nH]n4)CC3)n2)cc1 58244956 ZVLBOORLXSBGIM-UHFFFAOYSA-N 323.400 2.763 0 40 DFAB Clc1snnc1CSc1nnc(-c2cccnc2)o1 28219479 BESVVAQARQWRBP-UHFFFAOYSA-N 311.779 2.929 0 40 DFAB Cc1cnc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cn1 11003302 GKLRAIIAGJVKQX-UHFFFAOYSA-N 319.748 2.852 0 40 DFAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 62220659 ONEYFEYZMHYRKJ-UONOGXRCSA-N 308.337 2.874 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 62262021 PIEKQNVKIPQQLP-MRXNPFEDSA-N 323.396 2.562 0 40 DFAB COc1ncccc1NC(=O)NCCCCN1CCCC[C@H]1C 48342096 DOEUCBWOGCEYSN-CQSZACIVSA-N 320.437 2.866 0 40 DFAB CC(C)(C)c1ccc(NC(=O)COC(=O)[C@@H]2CCCO2)cc1 3413886 HHIJRQWREOMQII-AWEZNQCLSA-N 305.374 2.645 0 40 DFAB Fc1ccc(-c2nc(CNCCn3cccn3)cs2)cc1 48449383 WMUVTXYXXFHQED-UHFFFAOYSA-N 302.378 2.936 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 13018416 RNZFZJRKBJDEBN-LLVKDONJSA-N 301.264 2.785 0 40 DFAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)nc1 69869594 GSEAJIGOXFHWND-LBPRGKRZSA-N 309.797 2.855 0 40 DFAB O=C1C[C@H](c2nc(-c3cccs3)no2)CN1Cc1ccco1 38624572 SNCBVTUFVKHSEY-JTQLQIEISA-N 315.354 2.907 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCc1ccc2c(c1)OCO2 7911818 VWFJZHDGDBOYJK-UHFFFAOYSA-N 302.330 2.765 0 40 DFAB CCn1cnnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7995105 NGTSZHRLLKSQBR-NSHDSACASA-N 320.418 2.809 0 40 DFAB Cc1cc(C)n(-c2ccc(CC(=O)N3CCSCC3)cc2)n1 49213778 MTJHVIAUXBZVGE-UHFFFAOYSA-N 315.442 2.607 0 40 DFAB CC(=O)c1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 64652041 IPTZVYFCFAKAHY-UHFFFAOYSA-N 305.422 2.941 0 40 DFAB Cc1cc(N2CCSCC2)ccc1NC(=O)c1cn[nH]c1C 65173972 PIKPZHOQMLMRCI-UHFFFAOYSA-N 316.430 2.832 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCc2nccn2C1 65463089 HYGIZLOVGGTTJP-AWEZNQCLSA-N 322.368 2.591 0 40 DFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CC(C)C 14171259 XRGBRDXPXZUJCZ-UHFFFAOYSA-N 321.808 2.971 0 40 DFAB CC(C)c1n[nH]c(SCC(=O)NCc2ccc(Cl)cc2)n1 6598876 CMXDEOXGOXXLSQ-UHFFFAOYSA-N 324.837 2.990 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cc(C)ccc1O 5680093 GWWTWWLORQTIQB-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB CCCC(=O)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 69484146 YAZIFHDUXLHMHK-SFHVURJKSA-N 317.477 2.670 0 40 DFAB O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCCCCC1 5814206 RQRHFOPEAPYZFY-QGZVFWFLSA-N 301.434 2.696 0 40 DFAB O=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCCCCC1 4925145 NAODHRRHOIWBTR-UHFFFAOYSA-N 309.793 2.828 0 40 DFAB Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)cc1C 8714610 POVHVUIKWDUNBF-UHFFFAOYSA-N 313.309 2.952 0 40 DFAB O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@H]1CCCNC1=O 75582206 NIVACCBCOGXEBU-AWEZNQCLSA-N 323.352 2.986 0 40 DFAB CC[S@](=O)CCNC(=O)Nc1cc(Cl)ccc1Cl 75612989 IOCBISPMKCHLLR-GOSISDBHSA-N 309.218 2.884 0 40 DFAB CC(C)S(=O)(=O)c1ccc(CC(=O)OC2(C)CCC2)cc1 96004904 RETNPOIQMWEKHW-UHFFFAOYSA-N 310.415 2.897 0 40 DFAB O=C(CCc1cccs1)N[C@H](C(=O)O)c1ccccc1F 97036432 BRSKHQDHTCSZKJ-AWEZNQCLSA-N 307.346 2.762 0 40 DFAB Cc1nc(C)n(CC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 409412883 YTDLAJBIDDOSTC-QFHJOOASSA-N 324.428 2.593 0 40 DFAB O=C(Cn1nnc2ccccc21)N[C@H]1CCSc2ccccc21 9313515 XGJLECCCYZACSP-ZDUSSCGKSA-N 324.409 2.785 0 40 DFAB NC(=O)[C@H](CNC(=O)CCC1CCCC1)Cc1ccc(F)cc1 71826745 QAYPAMOOKLDWSO-HNNXBMFYSA-N 320.408 2.556 0 40 DFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(C)=O 71844193 YVCFDRXKRMMPLN-IRXDYDNUSA-N 302.418 2.697 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H]1C[C@@H]1c1ccco1 76089372 BVUSZMLPGNSCET-WDEREUQCSA-N 320.418 2.577 0 40 DFAB COc1cc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)on1 97141882 NBTPEOPIWURDGY-UHFFFAOYSA-N 319.748 2.790 0 40 DFAB OC1(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCC1 72302104 QYIMFCUMZAOANY-UHFFFAOYSA-N 324.306 2.884 0 40 DFAB CCC[C@@](C)(NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)O 95389867 PMZRNRMGUNWFEC-QGZVFWFLSA-N 316.357 2.644 0 40 DFAB COc1cccnc1N(C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 95435490 QRAIOGKXBDBYLT-DNVCBOLYSA-N 308.381 2.957 0 40 DFAB O=C(OCCNc1ccc(C(F)(F)F)cn1)C1=COCCC1 95429393 IFFZTQCGVXXNQW-UHFFFAOYSA-N 316.279 2.750 0 40 DFAB C[C@@H](NC(=O)CCOc1ccccc1)[C@H](O)c1ccc(F)cc1 95429968 NPIDGDSWISBWSA-ACJLOTCBSA-N 317.360 2.833 0 40 DFAB COC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 95970898 HOUYQZTZRVBMFS-MWLCHTKSSA-N 313.756 2.941 0 40 DFAB C[C@@H](NCC(=O)Nc1cccnc1)c1ccc(-n2cccn2)cc1 95985717 XYXBUSROOYJOSW-CQSZACIVSA-N 321.384 2.557 0 40 DFAB Cc1nccc(NC(=O)c2cnc3c(cnn3[C@H](C)C3CC3)c2)n1 95960231 ZZSWWUZBNBYDBT-SNVBAGLBSA-N 322.372 2.753 0 40 DFAB COc1ccc2ccn(CCCOCC(F)(F)F)c(=O)c2c1 89467173 NJRAMRLKSZWJKC-UHFFFAOYSA-N 315.291 2.979 0 40 DFAB CC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1 89665980 SADVSKQCEYVADC-UHFFFAOYSA-N 310.357 2.964 0 40 DFAB COc1ccc(C)c(NC(=O)N[C@@H](CO)c2ccccc2)c1 89646745 VXHFIDWGLUXHEI-INIZCTEOSA-N 300.358 2.859 0 40 DFAB O=S1(=O)c2ccccc2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306141123 VLSWPVMNBIPRDR-WBVHZDCISA-N 317.385 2.581 0 40 DFAB Cc1nonc1CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412786 DTYXZRBYKUMVLK-IHETXDGRSA-N 311.385 2.619 0 40 DFAB CCN(CC)[C@@H](C)CNC(=O)Cc1csc(-c2ccco2)n1 41925051 JOTBPBPUXLPFLO-LBPRGKRZSA-N 321.446 2.792 0 40 DFAB Cc1nc(O)c2c(n1)CN(Cc1cc(C)n(C3CC3)c1C)CC2 36735025 UOCFDUULZYVTHZ-UHFFFAOYSA-N 312.417 2.802 0 40 DFAB Cc1nccc(CNC(=O)NCCSc2ccccc2F)n1 79098420 VGKGDDIMTBOXJE-UHFFFAOYSA-N 320.393 2.516 0 40 DFAB CCS(=O)(=O)c1ccccc1NC1CCC(C(=O)O)CC1 37561815 WXPOWPWJFNOMAP-UHFFFAOYSA-N 311.403 2.536 0 40 DFAB Cc1ccc(NC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1 79029346 ILWAODLIPDECQL-UHFFFAOYSA-N 324.428 2.784 0 40 DFAB COc1cccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)c1 72227964 PGFWIVGNULGNBR-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CC1(O)CCCCC1 72386150 NRQPATFSQWQTOM-AWEZNQCLSA-N 305.422 2.857 0 40 DFAB C[C@]1(NC(=O)CC[C@H]2CCCO2)CCN(Cc2ccccc2)C1 566318995 BBATWDDGWCUSMU-MJGOQNOKSA-N 316.445 2.726 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 130257077 HATSDNFQIODLSE-ZFWWWQNUSA-N 308.447 2.522 0 40 DFAB CNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 224856237 FJUMYXDKIZLYMH-UVTDQMKNSA-N 300.383 2.573 0 40 DFAB CC(C)N(CCNC(=O)[C@H](C)OCc1ccccc1)C(C)C 48075308 NJZXSMDDEAXQFI-INIZCTEOSA-N 306.450 2.827 0 40 DFAB COc1cccc(N(C)C(=O)c2c(OC)cccc2OC)c1 222957609 NVLNTYDGIQXVJO-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB CCCCC(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386284 WWAYMPSXXRIUAX-HNNXBMFYSA-N 314.385 2.745 0 40 DFAB O=C(CSc1nc(-c2ccncc2)n[nH]1)c1cccs1 44858596 PCHCUBVZNSWLHT-UHFFFAOYSA-N 302.384 2.903 0 40 DFAB in-vitro Cn1nccc1C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 191978592 GZGWSRXXWYHJAM-SFHVURJKSA-N 324.428 2.553 0 40 DFAB COc1ccc(CNC(=S)Nc2ncccc2OC)cc1 225314954 AFSURRZECLJCTJ-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB CCC(C)(C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224382883 PNWVQVYSZZEJQC-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB CCc1noc(C)c1C(=O)N1CCOC[C@@H]1c1nc(C)cs1 330282510 VJJCLMBYAAYBDS-GFCCVEGCSA-N 321.402 2.524 0 40 DFAB Cc1ccc(N2C[C@@]3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1 96238475 YKGQBYFCTSAOFN-IBGZPJMESA-N 312.413 2.751 0 40 DFAB CC(=O)N1CCC(CCN[C@H](C)Cc2ccc(F)cc2)CC1 96479242 QTLAENBWJUIFDW-CQSZACIVSA-N 306.425 2.995 0 40 DFAB Cn1nnc2cc(NC(=O)c3ccc4ncccc4c3)ccc21 1585894607 QYVMFVINWVLCCO-UHFFFAOYSA-N 303.325 2.769 0 40 DFAB CCCn1cnc(-c2nc(C(=O)NC3CC3)c3ccccn23)c1 96266938 WCGPKCJOXVJGJJ-UHFFFAOYSA-N 309.373 2.500 0 40 DFAB Cc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2=O)n1 96048825 UMAOJGQYGDLRIA-LJQANCHMSA-N 313.445 2.615 0 40 DFAB c1cncc(OC[C@@]23CCC[C@@H]2CN(CC2CCOCC2)C3)c1 96109230 DOIQPQWCHIPAAJ-MJGOQNOKSA-N 316.445 2.989 0 40 DFAB COc1ccc(C(=O)Cc2cc(OC)c3c(c2)OCO3)cc1 96325936 GXJFZSVVEMBSAD-UHFFFAOYSA-N 300.310 2.858 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3nccs3)CC2)CN1C(C)C 96051751 JHHBVQZBIBYOKB-HNNXBMFYSA-N 323.506 2.854 0 40 DFAB C[C@@H](NC(=O)CCOC1CCOCC1)c1ccc2c(c1)CCC2 97227476 CNISKOQBWCABMS-CQSZACIVSA-N 317.429 2.938 0 40 DFAB Cc1cnc(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)s1 96439234 YVDKFHRHYRDDNG-AAEUAGOBSA-N 311.451 2.846 0 40 DFAB Cc1cc(OCC(=O)N(C)Cc2nccn2C)cc(C)c1Cl 96476749 MMYDQDAUYBQWTK-UHFFFAOYSA-N 321.808 2.728 0 40 DFAB CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)NCc2ccccc2)O1 96186060 ARSXJIFAQCSWHX-ULQDDVLXSA-N 318.417 2.555 0 40 DFAB CN1C(=O)CCC[C@@]12CCCN(C(=O)c1cc(F)cc(F)c1)C2 96229726 IAVPRQCRVBHAQP-KRWDZBQOSA-N 322.355 2.582 0 40 DFAB Cc1noc(-c2ccnc(N3CCC(N4CCCC4)CC3)c2)n1 96453544 MNIPGAVBEWQJNR-UHFFFAOYSA-N 313.405 2.505 0 40 DFAB Cc1nn(C)c2nc([C@@]3(C)CCCN(c4ncccn4)C3)ccc12 257310804 UGQLZYCQFFFYJV-SFHVURJKSA-N 322.416 2.625 0 40 DFAB Cc1cc([C@H]2CN(Cc3cc(F)ccc3F)CCO2)nc(C)n1 257275255 NOOOVBLGBCAYAU-QGZVFWFLSA-N 319.355 2.945 0 40 DFAB Cc1cc(C)nc(NCc2cn(-c3ccccc3C(=O)O)cn2)n1 257201241 AGVSDRMJBIHDPO-UHFFFAOYSA-N 323.356 2.589 0 40 DFAB Cc1sc(-n2cccc2)c(C(=O)NC[C@H]2CCOC2)c1C 42725569 VEJLKLUVXWHBER-CYBMUJFWSA-N 304.415 2.922 0 40 DFAB CO[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@]12CCCO2 257261704 LILPMKOZNKOGDV-ROUUACIJSA-N 300.402 2.938 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)N2CCCCC2)o1 42677089 YMAJSJZMXFWTMF-TZMCWYRMSA-N 312.435 2.566 0 40 DFAB CCOC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678450 WLHDPJJVSRWMRM-UHFFFAOYSA-N 301.346 2.630 0 40 DFAB Cc1ccc(OC[C@]2(O)CCN(Cc3cccnc3C)C2)cc1 585275154 YLQIOFYSPHTUCG-IBGZPJMESA-N 312.413 2.714 0 40 DFAB CC(C)(C)n1cc(CN[C@H]2CCC[C@H]2Cc2ccccn2)nn1 585093587 GKDSWYPPHWNTHK-YOEHRIQHSA-N 313.449 2.929 0 40 DFAB C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccn(C)n1 680630465 MUOSUEHLXVGDQS-GOEBONIOSA-N 312.417 2.550 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)on1 53432900 ACBNXHOQKZMYRD-CQSZACIVSA-N 300.358 2.983 0 40 DFAB CCCc1c(C(=O)O)nnn1Cc1cccc(Br)c1 50215579 FHWUWKHMDPOQCK-UHFFFAOYSA-N 324.178 2.740 0 40 DFAB in-vitro CC(C)(C)c1noc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)n1 58345056 PCGDBYBBCLFWIB-KBPBESRZSA-N 323.437 2.527 0 40 DFAB CCN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 58339615 OXGWSLZEXFHILP-CYBMUJFWSA-N 321.364 2.714 0 40 DFAB C[C@H](OCC1CC1)C(=O)NCCCn1ccc2ccccc21 58438917 ZSWYKCODOYXPNW-AWEZNQCLSA-N 300.402 2.963 0 40 DFAB Cc1ccc(OC2CCN([C@H]3C[C@@H](C)OC3=O)CC2)cc1C 69414201 YYTNAFLVWLWBIH-PBHICJAKSA-N 303.402 2.851 0 40 DFAB Cc1ncc(COC(=O)c2cnn(-c3ccncc3)c2C)s1 90519792 JEJHERSTPRPJJA-UHFFFAOYSA-N 314.370 2.698 0 40 DFAB Nc1oc2ccccc2c(=O)c1C(=O)NC1CCCCCC1 5031654 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CNC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1C 5268133 QEHMKICVYNJOFK-UHFFFAOYSA-N 302.399 2.906 0 40 DFAB O=C(O)/C=C\C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 13382177 XNVYLSQHVFTIIW-HJWRWDBZSA-N 307.309 2.581 0 40 DFAB Cc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)on1 13653982 RMVPXTNLLZJDIA-UHFFFAOYSA-N 324.749 2.924 0 40 DFAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1Cn1cccn1 71866247 ASINTMHCEDKTKE-SFHVURJKSA-N 320.396 2.979 0 40 DFAB Cc1cc(=O)n2nc(Sc3ccc(F)c(F)c3)sc2n1 40083050 IMYOITZQJQIBOL-UHFFFAOYSA-N 311.338 2.889 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(Br)c1 100173666 UCSQPCJPUUPAPF-WTTBSCSTSA-N 318.170 2.761 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)N3CCSCC3)n2)cc1 40542129 ZAXDLJVMXCIXHX-UHFFFAOYSA-N 317.414 2.553 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@@H](c1ccccc1)n1cnnn1 32072149 UAOKSVOLZAWRCM-CQSZACIVSA-N 313.748 2.555 0 40 DFAB C[C@H](c1nnc(-c2cccs2)o1)N1CCc2cncnc2C1 69737139 RSMUEHCRSBBMCO-SNVBAGLBSA-N 313.386 2.707 0 40 DFAB COCCOCCCC(=O)NCC1(c2ccc(F)cc2)CCC1 69322130 AZAOLAPOGWRWEW-UHFFFAOYSA-N 323.408 2.807 0 40 DFAB Cc1nnsc1-c1nn2c(-c3ccccc3)nnc2s1 385534 ROBJJIQJWYOSOF-UHFFFAOYSA-N 300.372 2.680 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 6067784 CXGDRQWRJUSSAR-RFZSVYIBSA-N 308.462 2.722 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)OCC2CCCCC2)cc1 6214425 PTCDGLKGOSQSSF-UHFFFAOYSA-N 311.403 2.990 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2ccccc2Cl)c1=O 6679092 AEBZUJLCHQUJNB-UHFFFAOYSA-N 320.801 2.946 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N(C)c3ccccc3)C2)cc1 6738254 OXGPZIFVAYTNSZ-KRWDZBQOSA-N 310.353 2.851 0 40 DFAB CCCCN(CC)C[C@@H](O)COc1ccc(C(C)=O)cc1OC 7064034 CFQUOPMFFFFGIA-MRXNPFEDSA-N 323.433 2.760 0 40 DFAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1ccc(F)cc1 101276618 HXYPCICZMFDZOB-AWEZNQCLSA-N 302.280 2.709 0 40 DFAB O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1C1CC1 2789608 FIMPADSVCNSSET-YFHOEESVSA-N 310.325 2.919 0 40 DFAB Brc1cncc(N2CCC[C@H](c3ncc[nH]3)C2)c1 91479687 WFKPZIWPMXJLRT-JTQLQIEISA-N 307.195 2.951 0 40 DFAB CCOC(=O)C1CCN(c2ncnc3c2[nH]c2ccccc23)CC1 508045 YQORQIXBPNPFHG-UHFFFAOYSA-N 324.384 2.891 0 40 DFAB OC1(c2ccccn2)[C@@H]2CCC[C@@H]1CN(Cc1ccncc1)C2 100148819 RZUNWEJVQZUCFI-IAGOWNOFSA-N 309.413 2.596 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCS[C@H](C)[C@@H]1C 76017248 BRZRBVUVAYPXET-XHVZSJERSA-N 310.467 2.633 0 40 DFAB O=C(O)CCS[C@@H](C(=O)N1CCCCC1)c1ccccc1 25053925 FFHBDGGWPHDKJY-OAHLLOKOSA-N 307.415 2.948 0 40 DFAB Cc1nnc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)s1 43408398 POYUYDRYONYIFD-VIFPVBQESA-N 306.391 2.695 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@H]1c1csc(C)n1 25310700 KSJGAEVWDGVYRH-CQSZACIVSA-N 303.387 2.664 0 40 DFAB O=C(CCn1cnc2ccccc21)NC(=O)Nc1ccccc1 25365720 FVUYNWZQSFCBGE-UHFFFAOYSA-N 308.341 2.775 0 40 DFAB O=S(=O)(Cc1nc(-c2ccco2)no1)CC1CCCCC1 58483578 XPVYTZJPSCVSEV-UHFFFAOYSA-N 310.375 2.825 0 40 DFAB O=C(Nc1ccc(OCC(F)(F)F)cc1)Nc1cn[nH]c1 56595990 RNEIMYMWDQMTJK-UHFFFAOYSA-N 300.240 2.995 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)CSc1nncn1C 3225309 MIVWFAWOBMRZCS-UHFFFAOYSA-N 304.419 2.978 0 40 DFAB CCCN(CCC)S(=O)(=O)c1cc(NC(C)=O)ccc1C 24991600 SEOJPIFYKHMPBZ-UHFFFAOYSA-N 312.435 2.764 0 40 DFAB CCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 2254722 ZNPGQNQHENFQQX-UHFFFAOYSA-N 320.443 2.634 0 40 DFAB CC[C@H]1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCO1 48138133 OOMBEIYARCQLQP-HNNXBMFYSA-N 300.358 2.522 0 40 DFAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C 409003318 RUPRAXKPTHBBOQ-RRFJBIMHSA-N 310.438 2.938 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)n[nH]1 28483888 MMMGUVYMTXDZSG-UHFFFAOYSA-N 321.340 2.519 0 40 DFAB CSc1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 12932493 UUZIZDSKZVBYJK-DOMZBBRYSA-N 322.455 2.801 0 40 DFAB CC(C)Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 13326383 VOABLTSNEIHIHD-ZIAGYGMSSA-N 311.447 2.683 0 40 DFAB CCOc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1 20459839 WCWHOLNNYGUPHU-UHFFFAOYSA-N 309.362 2.703 0 40 DFAB CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 39378942 STEAYGPTLHZMJU-UHFFFAOYSA-N 317.389 2.902 0 40 DFAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(Br)cc1 5061468 HEUJSUCXFZGGQT-UHFFFAOYSA-N 308.131 2.817 0 40 DFAB O=C(NCCNCc1c[nH]c2ccccc12)c1ccc(F)cc1 4498144 ISXRMTZDLBSXGP-UHFFFAOYSA-N 311.360 2.827 0 40 DFAB Cc1csc(CNC(=O)NCCCN2CCCC[C@H]2C)n1 65553225 NWTXHAYPQXIQBF-CYBMUJFWSA-N 310.467 2.515 0 40 DFAB CC(C)NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 5351057 TYJWSXBSYCCCGG-UHFFFAOYSA-N 316.430 2.714 0 40 DFAB O=C([C@@H](Sc1ncn[nH]1)c1ccccc1)N1CCCCC1 5466819 PGKKKAZRGPTIHP-ZDUSSCGKSA-N 302.403 2.651 0 40 DFAB CC(=O)c1cccc(OCC(=O)N2CCC(c3ccccc3)=N2)c1 14315861 BBPIYMCEGWRAIQ-UHFFFAOYSA-N 322.364 2.905 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5562754 MXDCGZCKLCYHQR-YJBOKZPZSA-N 324.405 2.573 0 40 DFAB CCOCCCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 4901994 IJRQTPCPGRZBBU-UHFFFAOYSA-N 305.765 2.958 0 40 DFAB Nn1c(SCCCc2ccccc2)nnc1-c1cccnc1 6941120 LGSMVYORSAPKPX-UHFFFAOYSA-N 311.414 2.779 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OC 7386571 NENAWHFHECJGTQ-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB C[C@]1(C(=O)OCC(=O)NC2CCCCC2)CC1(Cl)Cl 7779142 KJXZHWLXJPNSIR-GFCCVEGCSA-N 308.205 2.562 0 40 DFAB COC(=O)c1ccccc1/C=C1\N=C(c2cccs2)OC1=O 7925334 MWZBSHQPHHWIQA-XFXZXTDPSA-N 313.334 2.879 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CC2CCCC2)c1C 8156685 CVZNPPANMFJLNH-UHFFFAOYSA-N 321.373 2.724 0 40 DFAB NC(=O)c1ccc(COC(=O)CCC(=O)c2cccs2)cc1 16743370 ACYNBJBHUQKBLV-UHFFFAOYSA-N 317.366 2.553 0 40 DFAB COc1ccc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9112590 ZOIXEZUMQLQTGE-UHFFFAOYSA-N 324.380 2.769 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NCc3cn[nH]n3)c(F)c2)cc1 97011248 XBJVJTNALATCQB-UHFFFAOYSA-N 310.332 2.849 0 40 DFAB C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccncc1 97032664 XGSHKZVZGYVLEK-VQIMIIECSA-N 311.429 2.806 0 40 DFAB Cc1nnc(-c2ccccc2C(=O)OC[C@H]2CC[C@@H](C)O2)o1 97056401 XGESWGVMRQLJEU-ZYHUDNBSSA-N 302.330 2.769 0 40 DFAB CN(C)c1nc(C[S@@](=O)C/C=C/c2ccccc2)ns1 97080185 RFJGETFZOQKLDH-AQDCRGGLSA-N 307.444 2.566 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 83877690 HYHNNONZLKIUJI-CJNGLKHVSA-N 303.406 2.643 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)NC1CCC2(CC1)OCCO2 71931343 MTIWSUXMCQIRGM-CYBMUJFWSA-N 316.401 2.833 0 40 DFAB Cc1cc(O)ccc1NC(=O)Nc1cnc2c(c1)c(C)nn2C 97104719 SYOHARHNSVBXJH-UHFFFAOYSA-N 311.345 2.935 0 40 DFAB CCN(C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1)C(C)C 97141722 SYTDQLAKSWANPP-UONOGXRCSA-N 300.468 2.823 0 40 DFAB Cc1csc([C@H]2COCCN2C(=O)Nc2nccs2)n1 97165771 DPPUYNRVCCSJJE-SECBINFHSA-N 310.404 2.513 0 40 DFAB CCc1nc(C)ncc1C(=O)N1CCN(C)c2ccc(F)cc21 72502705 CMTUFJAPAJWBHB-UHFFFAOYSA-N 314.364 2.583 0 40 DFAB Cn1ccnc1C[C@H](NC(=O)c1ccc(F)nc1)c1ccccc1 72529246 XRMYPSQSMWQGTA-HNNXBMFYSA-N 324.359 2.668 0 40 DFAB CN(C)c1cccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)c1 72599560 HGWMWIOSAYQUFT-KRWDZBQOSA-N 315.392 2.550 0 40 DFAB O=c1ccc(-c2ccccc2F)nn1CN1CCCCCC1 79485458 NAOJUGPYMCQESM-UHFFFAOYSA-N 301.365 2.883 0 40 DFAB Cc1c(Br)cccc1C(=O)N1CCCC[C@H]1CN 88441957 VIYHREBPBILJCM-NSHDSACASA-N 311.223 2.711 0 40 DFAB Cc1nc([C@@H]2CN(CCSc3ccccc3)CCO2)no1 95960176 BCAWMTVOHQWWTF-AWEZNQCLSA-N 305.403 2.544 0 40 DFAB Cc1ccc(C[C@@H](CNC(=O)c2ccoc2C)C(=O)O)cc1 95970680 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Cc1coc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)n1 66091649 VSZJSJIIZHHBBB-UHFFFAOYSA-N 315.333 2.879 0 40 DFAB CCCn1c(NC2CCCCC2)nc2c(C)nn(C)c2c1=O 32652880 GFTPWNZMVHMUGT-UHFFFAOYSA-N 303.410 2.593 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3[nH]cnc3c2)cc1OC 40268005 KYOVEZABJXADEF-UHFFFAOYSA-N 311.341 2.761 0 40 DFAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC(C)C 222901334 QZVBFZVJDLWOQM-CYBMUJFWSA-N 308.397 2.725 0 40 DFAB O=C(COc1cccc2ccccc12)NC1(c2nnc[nH]2)CCC1 193191138 MXBLOYJWXOUMLC-UHFFFAOYSA-N 322.368 2.532 0 40 DFAB CCCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NCC 224630053 BSKMZIZTKFOAGT-MRXNPFEDSA-N 304.434 2.773 0 40 DFAB CN(CCO)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 190590061 ZIOPMYCRSAIRIY-UHFFFAOYSA-N 318.339 2.617 0 40 DFAB Cc1cnc(=O)n(CCc2cc(Cl)c3c(c2)OCCCO3)c1 574142972 PNZYCKZNQBWEIV-UHFFFAOYSA-N 320.776 2.609 0 40 DFAB CCc1ncsc1NS(=O)(=O)c1ccc(F)c(OC)c1 195577591 UPPSGGIOWBGVDR-UHFFFAOYSA-N 316.379 2.654 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2CO)cc1Cl 190246077 BIIBEUUGJZDGLU-OTYXRUKQSA-N 310.781 2.777 0 40 DFAB FC(F)c1nnc2ccc(Sc3ncc4ccccn34)nn12 92583038 VZTKYHMMDBKZFX-UHFFFAOYSA-N 318.312 2.861 0 40 DFAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1cc2ccccc2[nH]1 96450722 FQVZKTQIIUGYRQ-HOCLYGCPSA-N 304.415 2.544 0 40 DFAB CCO[C@H]1COC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 96158757 DCYLYODKCDZDQW-MRXNPFEDSA-N 321.392 2.555 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)COc2ccc(F)cc2)CC1 97379274 QHNXUQWHDNPIIT-UWTIGNOOSA-N 308.397 2.630 0 40 DFAB CCc1ccc(CN2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)o1 96046200 JYUYRPYBBKOYIS-APHBMKBZSA-N 316.405 2.621 0 40 DFAB CCOC[C@@H]1CCC[C@]12CN(Cc1c(C)noc1C)CCO2 96160868 CGUPIKVHZQUEGQ-RDJZCZTQSA-N 308.422 2.699 0 40 DFAB Cc1cc(C)c2cc(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)[nH]c2c1 95995450 SDNDDLHSOPLSIE-KDOFPFPSSA-N 311.429 2.951 0 40 DFAB O=C(c1ccccc1F)N1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187065 SDBNOXVGXBBXQQ-IKGGRYGDSA-N 319.376 2.624 0 40 DFAB Cc1nc(C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)cs1 96408969 HECXMYVKGFTZJC-OAHLLOKOSA-N 320.414 2.702 0 40 DFAB O=C(N[C@H]1CCO[C@]2(CCN(CC3CC3)C2)C1)c1ccsc1 96205923 TXWFDHGTHUTNDX-DOTOQJQBSA-N 320.458 2.511 0 40 DFAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1ncccc1O 97102384 PPRKJPZQEARADG-UHFFFAOYSA-N 312.304 2.579 0 40 DFAB C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1nnc(-c2ccco2)o1 97103329 YLACRSOQDVZVJL-RYUDHWBXSA-N 318.377 2.779 0 40 DFAB CSCC(=O)N[C@H](C)Cc1ccccc1Br 96470453 QJBNWQVVKGRBGD-SECBINFHSA-N 302.237 2.859 0 40 DFAB O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2noc(C3CC3)n2)C1 583615486 BYYLSIPMYIIIQI-BXUZGUMPSA-N 321.327 2.533 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181859 UYJRYXOJNWUAHT-HOCLYGCPSA-N 306.381 2.604 0 40 DFAB Cc1ccoc1C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 252491325 LMGKZYIFGGBZQL-MRXNPFEDSA-N 322.364 2.921 0 40 DFAB Cc1cc(CCNC(=O)CCSc2ccccc2)nn1C 253399210 IOGKEHKLAKODDH-UHFFFAOYSA-N 303.431 2.570 0 40 DFAB COc1cccc(C(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)c1 257246587 IUTUODQEILCZNT-OAHLLOKOSA-N 311.385 2.813 0 40 DFAB CO[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1Cc1cccc(C)c1 585279886 SKIZHYRBGVQJCG-NVXWUHKLSA-N 314.385 2.703 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)NCCCOCc1ccccc1 54666859 DWCAHEKLBGLZMN-UHFFFAOYSA-N 321.808 2.719 0 40 DFAB Cc1cc(CNC(=O)N2C[C@H]3CC[C@H]3C2)cc(N2CCCC2)n1 1550638620 ZHWRRYWONLUOME-IYBDPMFKSA-N 314.433 2.542 0 40 DFAB Cc1ccc(NC2CCN(C(=O)[C@H]3CC=CCC3)CC2)nn1 69951490 QSQMVQBLIMEHOH-AWEZNQCLSA-N 300.406 2.544 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 138923293 MPBCWBPNOOKILN-UHFFFAOYSA-N 313.785 2.908 0 40 DFAB CC1=NNC(=N)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 5686206 KOPFFUKYLDCKQA-UHFFFAOYSA-N 317.352 2.665 0 40 DFAB biogenic COc1cccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 13668128 WMHLEBWKDUFEEZ-HUUCEWRRSA-N 304.434 2.793 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1 14201171 ATTATPNXUUJVLD-IUODEOHRSA-N 304.390 2.606 0 40 DFAB CCN1CCN([C@@H](CC(C)C)c2nnnn2C2CCCC2)CC1 19527890 RIJBFTUMODQJQU-INIZCTEOSA-N 320.485 2.513 0 40 DFAB C[C@H](c1cccc(Cl)c1)S(=O)(=O)C[C@H](O)C(F)(F)F 158701935 NYPCETZTZIPPHB-XCBNKYQSSA-N 316.728 2.739 0 40 DFAB COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1 3436392 YUAXEHZHDZFUIO-CYBMUJFWSA-N 313.353 2.808 0 40 DFAB CC(C)(C)OC(=O)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888890610 HNCMYNJXVFZMGP-UHFFFAOYSA-N 317.311 2.814 0 40 DFAB CC(=O)N1CCC(NCc2ccccc2Br)CC1 35011649 UZECPVXOAQKMAV-UHFFFAOYSA-N 311.223 2.550 0 40 DFAB CC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F 1049946 DESBXVSHODGKMS-UHFFFAOYSA-N 307.219 2.512 0 40 DFAB Cc1ccc(C(=O)N[C@@H](N(C)C)C(Cl)(Cl)Cl)cc1 25326037 PSGLWDHRBVEVSW-NSHDSACASA-N 309.624 2.983 0 40 DFAB Cc1ccc(NC(=O)c2c(O)c3sccc3n(C)c2=O)cc1 49409468 ZYROOXRRQMLESN-UHFFFAOYSA-N 314.366 2.866 0 40 DFAB COC1CCN(C2CN(C(=O)c3cccc4ccccc34)C2)CC1 575609909 AWVXSXHSBUAUOM-UHFFFAOYSA-N 324.424 2.775 0 40 DFAB Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 40497652 AQXWLWVMEQGIGD-RISCZKNCSA-N 318.417 2.776 0 40 DFAB CS(=O)(=O)CCN1CCc2sccc2[C@H]1c1ccccc1 40468453 WLZWORNKSQVMSO-MRXNPFEDSA-N 321.467 2.740 0 40 DFAB O=C(Nc1ccc2cn[nH]c2c1)[C@H]1CC(=O)N(c2ccccc2)C1 40086690 JTOWYVKAOSQDRV-ZDUSSCGKSA-N 320.352 2.555 0 40 DFAB CN(C)c1cc(CNC(=O)c2ccc(F)cc2Cl)ccn1 40512569 IGCSBPXPZJXIGQ-UHFFFAOYSA-N 307.756 2.870 0 40 DFAB COCC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 40513574 WXBSSWQTPOKIER-UHFFFAOYSA-N 308.378 2.638 0 40 DFAB Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 102032 FYRJIAMUOFWFBR-UHFFFAOYSA-N 308.337 2.538 0 40 DFAB CNC(=O)c1ccccc1Sc1ccccc1C(=O)NC 173170 SDLAXAVUONMNJL-UHFFFAOYSA-N 300.383 2.557 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1 242297 XQIKDLZMAPIBJR-UHFFFAOYSA-N 309.774 2.767 0 40 DFAB O=C(c1ccco1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 269893 MLZOQSJEXLROFX-ZANVPECISA-N 316.279 2.923 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 20902546 UUPGEMUVSFFEGM-ZDUSSCGKSA-N 300.358 2.583 0 40 DFAB CC1CCN(C(=O)C2CCN(Cc3cccnc3)CC2)CC1 317668 GOPYAKKZGHMLBF-UHFFFAOYSA-N 301.434 2.552 0 40 DFAB CCCC[C@H](CC)CNS(=O)(=O)c1cccc(C(=O)O)c1 1760467 PJKTXMFZYUIVFX-LBPRGKRZSA-N 313.419 2.880 0 40 DFAB CCOc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 8683328 GJEZKOBYYQNFNL-BJMVGYQFSA-N 323.352 2.907 0 40 DFAB aggregator Cn1cnnc1SCc1cc(=O)oc2cc3c(cc12)CCC3 2617818 GZIGIBCPEFPNGJ-UHFFFAOYSA-N 313.382 2.703 0 40 DFAB CCOC(=O)c1cc(C)n(CC(=O)Nc2cc(C)ccn2)c1C 32841589 ZDQOEBODDRFQFL-UHFFFAOYSA-N 315.373 2.624 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](n2ccnc2C)C1 70003986 CCXUYSASEARQJE-HNNXBMFYSA-N 316.405 2.593 0 40 DFAB COC(=O)C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccccc1 52974653 ULJHGWOXYYRILH-LBPRGKRZSA-N 306.749 2.702 0 40 DFAB O=C(c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1 33236759 IJXXVRXMIHAAIW-UHFFFAOYSA-N 315.804 2.693 0 40 DFAB COc1c(F)c(F)c(C(=O)NCc2ccco2)c(F)c1F 9142047 NBKPDQTVWXJXEG-UHFFFAOYSA-N 303.211 2.775 0 40 DFAB Cc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)c1CCO 16972498 MRAGFPJBEDYPBK-UHFFFAOYSA-N 310.806 2.559 0 40 DFAB COCCC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 28305180 LPVFHNIPWGUZQJ-UHFFFAOYSA-N 305.353 2.662 0 40 DFAB O=C(c1cccc2ccccc12)N1CCN(C[C@H]2CCCO2)CC1 23675128 ONBPIJQXVFIWDS-QGZVFWFLSA-N 324.424 2.777 0 40 DFAB CCn1nnnc1S[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9113111 WUKGFWYBOACMTM-GYPVXTSCSA-N 320.462 2.959 0 40 DFAB Cc1ccn2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)nc2c1 12556837 RFSJILJMJVMSBL-GFCCVEGCSA-N 323.352 2.862 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccsc1 55363601 BZQKCFKPJLJLPB-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB CC(C)CNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 24964636 AEOCVKMDTAMTID-HUUCEWRRSA-N 304.434 2.682 0 40 DFAB C[C@H](CNC(=O)CCCNC(=O)C(C)(C)C)c1ccccc1 55528634 LOAJVODKHYYSLG-CQSZACIVSA-N 304.434 2.849 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCCN(C)c2ccccc2F)c1 56353605 OYUVTLJAOIVFJI-UHFFFAOYSA-N 317.364 2.613 0 40 DFAB COc1ccc(OC)c(CN(C(=O)c2cccnc2)C2CC2)c1 25803899 FVYQTLMDWLWLCE-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB Cc1cccc2c(=O)[nH]c(CN3CCC[C@@H]3c3cccn3C)nc12 57364708 QKRSOECPRQHKIF-MRXNPFEDSA-N 322.412 2.907 0 40 DFAB O=C(Nn1cnc2ccccc21)c1c[nH]nc1-c1ccccc1 12547406 UZYPLPUTAMTEMX-UHFFFAOYSA-N 303.325 2.810 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 8394929 NRROCUWONYQVRM-UHFFFAOYSA-N 310.353 2.683 0 40 DFAB Cc1cc(C)n(CCC(=O)Nc2cc(-c3ccccc3)n[nH]2)n1 28247057 AYFJZIXWIWGUBC-UHFFFAOYSA-N 309.373 2.919 0 40 DFAB C[C@@H](N)[C@H]1CCCN(C(=O)c2sccc2Br)C1 70172414 LKGRFMQKLRWVLH-BDAKNGLRSA-N 317.252 2.710 0 40 DFAB COc1ccc(C(C)=O)cc1CN(C[C@@H]1CCOC1)C1CC1 44938035 SITIMEKSJDXERB-AWEZNQCLSA-N 303.402 2.899 0 40 DFAB CCCc1noc([C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)n1 62639931 POJQCTDEHPQYCE-GFCCVEGCSA-N 317.389 2.986 0 40 DFAB Cc1ccc(CNC(=O)CSc2ccc(Cl)nn2)s1 48599029 RSXOLFNQAYCCMO-UHFFFAOYSA-N 313.835 2.908 0 40 DFAB O=C(NCc1ccccc1Cl)c1cc2c([nH]c1=O)CCCC2 49551737 LWEFUXNDLHSNEL-UHFFFAOYSA-N 316.788 2.837 0 40 DFAB CCOC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1 6499219 RCBHPYNDWQSULX-GHMZBOCLSA-N 321.423 2.853 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 14163846 XMRABXKIMJIOLJ-UHFFFAOYSA-N 304.296 2.967 0 40 DFAB O=S(=O)(CCc1ccccc1)N[C@@H]1C[C@H]1c1ccc(F)cc1 65795393 NWXGYSYAXPYBSQ-DLBZAZTESA-N 319.401 2.844 0 40 DFAB COc1ccc2nc(NC(=O)COC(=O)C=C(C)C)sc2c1 6508454 QEFGEHXBBDFZKK-UHFFFAOYSA-N 320.370 2.753 0 40 DFAB O=C1COc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 6719628 ZVYQGEJKVIIWNN-UHFFFAOYSA-N 301.729 2.901 0 40 DFAB CC(C)(C)C(=O)N1CCCN(C(=O)NC2CCCCC2)CC1 67358496 WQLOUEWMPMDFGF-UHFFFAOYSA-N 309.454 2.609 0 40 DFAB COc1ccc(CNC(=O)c2ccc3cn[nH]c3c2)cc1OC 15770058 NLTNACXRLBWQHW-UHFFFAOYSA-N 311.341 2.510 0 40 DFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 7795682 KKXPGIOGIANUAG-UHFFFAOYSA-N 309.774 2.996 0 40 DFAB CCC[C@H]1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1 89950034 YFPPCIJZQUXSAD-HNNXBMFYSA-N 318.421 2.766 0 40 DFAB CCCCSCCC(=O)Nc1ccc2c(c1)C(=O)NCC2 96416475 PEGJZYRUBMWFNA-UHFFFAOYSA-N 306.431 2.834 0 40 DFAB c1ccc2c(c1)CN(CCCNCc1cccc3c1OCCO3)C2 71816971 ACSMYKOIKQBDCP-UHFFFAOYSA-N 324.424 2.953 0 40 DFAB Cc1ccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 71836994 KPAZUPLXOKZDKM-LBPRGKRZSA-N 308.403 2.810 0 40 DFAB CC(C)OCc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)ccc1F 76050915 JPXUMNYMRGXKBC-CXAGYDPISA-N 322.424 2.773 0 40 DFAB CC(C)(C)c1ccc(C[S@](=O)CC(=O)NCC2CC2)cc1 71859039 XMKGGDVTJPPSKR-OAQYLSRUSA-N 307.459 2.759 0 40 DFAB COc1ccc(NC(=O)[C@H](C)n2ccnc2)cc1Br 71900302 VPSHOKOOIDWHEM-VIFPVBQESA-N 324.178 2.854 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(N)=O)c3)n[nH]2)cc1 9679275 MXVADKWRLQWISB-UHFFFAOYSA-N 320.352 2.736 0 40 DFAB Cc1nn2cccnc2c1C(=O)Nc1cccc(-c2ncc[nH]2)c1 76017951 HRUYATHSSMXVMC-UHFFFAOYSA-N 318.340 2.680 0 40 DFAB COCc1nc(CN2CCC[C@@H]2c2noc(C3CC3)n2)cs1 76047654 HVWXASVPLFFVQI-GFCCVEGCSA-N 320.418 2.887 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)CC[C@H](C)O 97162055 HYBXUDHRGKQFOW-DZGCQCFKSA-N 320.433 2.527 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1nccc2ccccc12 97379473 XHXMTXLIFMGHIQ-KRWDZBQOSA-N 321.380 2.787 0 40 DFAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 95116002 SUQGETQPVQZSQU-AWEZNQCLSA-N 304.371 2.699 0 40 DFAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C2CC2)s1 84789076 FLXIQXFVHOZSKR-OLZOCXBDSA-N 305.447 2.719 0 40 DFAB CCC(CC)[C@H](NC(=O)NC[C@H]1CCC(=O)N1)c1ccccc1 95412374 VWMFAIMSUPUTIM-WBVHZDCISA-N 317.433 2.742 0 40 DFAB C[C@H](CC(=O)N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1 95457927 IYGZTLQOQJZDNP-RPVQJOFSSA-N 321.392 2.774 0 40 DFAB CCN1CCN(c2ccc(C(=O)OC3CCC3)cc2F)CC1 95456280 OBZMBJOQQIDBKV-UHFFFAOYSA-N 306.381 2.677 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(F)cc1Cl 95411333 YWWTYLSHHWDXLM-LKFCYVNXSA-N 314.788 2.952 0 40 DFAB O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(F)(F)F 78519119 WDJUIDGTBHLIJM-GHMZBOCLSA-N 317.263 2.518 0 40 DFAB CCOC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F 95629942 XCKXLFSCXBEANV-ZDUSSCGKSA-N 307.337 2.832 0 40 DFAB in-vitro C[C@H](CCNC(=O)c1cnn[nH]1)c1cccc(C(F)(F)F)c1 78966917 GYAJANIDTVRYBW-SECBINFHSA-N 312.295 2.747 0 40 DFAB O=C(N[C@H](CO)c1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 95994447 QBNQOMCVOUOEIV-CKEIUWERSA-N 317.335 2.918 0 40 DFAB NC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 95998931 VXTUCKPJMPSZOT-LBPRGKRZSA-N 304.325 2.872 0 40 DFAB Nc1nc(Cl)cc(N(Cc2cccs2)C[C@@H]2CCCO2)n1 79109081 MGCHDFAUSSTHMJ-JTQLQIEISA-N 324.837 2.959 0 40 DFAB C[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Cc1cccs1 74627864 XQBIMFYNBWAUSZ-HUUCEWRRSA-N 321.490 2.806 0 40 DFAB CN1C(=O)c2cc(NC(=O)C3CC3)ccc2Oc2ncccc21 79484728 LHXLFEYKFUJZND-UHFFFAOYSA-N 309.325 2.812 0 40 DFAB O=C(NC1CCOCC1)c1cc2c(nc3sccn32)s1 89885403 AXVGFJVZXLWSFQ-UHFFFAOYSA-N 307.400 2.519 0 40 DFAB CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 89840273 MCCBNLZZNDMECI-PEBXRYMYSA-N 324.446 2.703 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)Nc1nnc(C2CC2)s1 89856765 ABWQNXLZWYNMFJ-UHFFFAOYSA-N 320.422 2.590 0 40 DFAB O=C(O)CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 33558942 DBLXOCXKZCVXCB-YFHOEESVSA-N 311.746 2.851 0 40 DFAB COc1cccc([C@H](O)CNC(=O)CCc2ccsc2)c1 78929781 AHCSZNNGOYKWFT-OAHLLOKOSA-N 305.399 2.539 0 40 DFAB COc1ccc(NC(=S)NCc2cccnc2N(C)C)cc1 36845867 JHOBASBCTXCGSA-UHFFFAOYSA-N 316.430 2.643 0 40 DFAB CC[C@H](c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)n[nH]1 125212609 BUYWQVJNYFBTSY-CYBMUJFWSA-N 305.403 2.748 0 40 DFAB CC(C)Cn1cc(C(=O)N2CCCCC[C@H]2c2ncon2)cn1 189623859 WMLJBDRTFYHHST-AWEZNQCLSA-N 317.393 2.680 0 40 DFAB Cc1cc2c(cc1CN1CC[C@@](O)(c3ccccc3)C1)OCO2 36743623 AQEJFWIPAGKVCM-IBGZPJMESA-N 311.381 2.817 0 40 DFAB CC(C)N(Cc1cccnc1)C(=O)c1cccc2c1OCCO2 79351997 QQHJUYUKSQIBRU-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB O=C(/C=C/c1ccco1)NCC1CCN(c2ccncc2)CC1 70928339 WHABRFDTAXEHQN-ONEGZZNKSA-N 311.385 2.721 0 40 DFAB Cc1nc(-c2ccc(F)cc2)cc(N2CCC[C@H](C(=O)O)C2)n1 70458550 LENVKBXACABZOA-ZDUSSCGKSA-N 315.348 2.892 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CCF)CC1 521395261 LXWNKOMZROZJOI-SNVBAGLBSA-N 314.323 2.830 0 40 DFAB CC(C)n1cc(CC(=O)NCCc2c[nH]cn2)c2ccccc21 79194193 SFZZQMZULQZEJZ-UHFFFAOYSA-N 310.401 2.847 0 40 DFAB biogenic COc1cccc(C(=O)c2ccc(OC(C)=O)cc2)c1OC 43209991 UQYNNGFKYHWLDA-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1cscn1 81367886 UXESKUGXCNLIEV-UHFFFAOYSA-N 306.362 2.718 0 40 DFAB Cc1cc(S(=O)(=O)N(C)Cc2cccnc2)sc1Cl 191836254 HZSSXVGDVMVOLT-UHFFFAOYSA-N 316.835 2.926 0 40 DFAB COc1ccc(C(=O)NCc2c(OC)cccc2OC)cc1C 222960243 TWVZUWYSKFWIOG-UHFFFAOYSA-N 315.369 2.951 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 227165847 JNCJRAFTXFPANW-AWEZNQCLSA-N 323.400 2.767 0 40 DFAB O=C(CC1CCCC1)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246187 BXGIRUDDSVAZIY-DLBZAZTESA-N 313.445 2.947 0 40 DFAB O=C(N[C@@H](C(=O)N1CCCCC1)c1ccccc1)C1=CCCC1 95414664 PNNFQCCPCULNGR-QGZVFWFLSA-N 312.413 2.967 0 40 DFAB CCOc1cccnc1C(=O)N1CCCN(C2CCCC2)CC1 96451335 BYMHXINMWDNILF-UHFFFAOYSA-N 317.433 2.571 0 40 DFAB NC(=O)c1cc(Cl)nnc1N1CCC[C@@H]1c1ccsc1 96453493 JGHWXPWVOXZXAK-SNVBAGLBSA-N 308.794 2.632 0 40 DFAB CCSc1ccc(C(=O)Nc2cnn(CC(F)F)c2)cn1 96408607 CXAVXXQSSNJVIZ-UHFFFAOYSA-N 312.345 2.908 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)N1CCC2(C1)OCCO2)C(F)(F)F 97376596 DIXWTBJFWMEMTA-SNVBAGLBSA-N 324.343 2.512 0 40 DFAB O=C(Cc1ccn[nH]1)Nc1ccc(-n2ncc3ccccc32)cc1 96493015 ZPKOCHDAOVUKKI-UHFFFAOYSA-N 317.352 2.930 0 40 DFAB C[C@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccc(F)c(F)c1 96432597 AZNLIOCAJDITCZ-MRVPVSSYSA-N 324.352 2.659 0 40 DFAB Cc1ccc(C[C@H](NC(=O)c2csnn2)c2ccccn2)cc1 96406447 DDBRWAVTJGJZBN-HNNXBMFYSA-N 324.409 2.955 0 40 DFAB Cc1ccsc1C(=O)N[C@@](C)(Cc1ccccc1)C(=O)O 96480124 FJVLSQZMEZNWAH-INIZCTEOSA-N 303.383 2.872 0 40 DFAB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@@H]1CC=CCC1 96455030 CGIGQSUZMYEPDD-PEBXRYMYSA-N 320.458 2.922 0 40 DFAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(C)oc2C)c1 96426588 AXNPKXRFERYOGU-UHFFFAOYSA-N 322.386 2.829 0 40 DFAB FC(F)(F)c1ccnc(Nc2nccc([C@@H]3CCNC3)n2)c1 257331783 XUGIPCGFGLNVBC-SECBINFHSA-N 309.295 2.711 0 40 DFAB Cc1nc(C(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cs1 257173753 WGBXGTAEBJWPNI-UHFFFAOYSA-N 317.370 2.813 0 40 DFAB CO[C@@H]1CCC[C@@H](NC(=O)c2oc3cc(C)ccc3c2C)[C@H]1O 257266355 MCQQKLJRLBMEKY-IIAWOOMASA-N 317.385 2.708 0 40 DFAB Cc1cc(NCc2cn(-c3ccccc3C(=O)O)cn2)nc(C)n1 257330619 XPCYZTSSLBVVGM-UHFFFAOYSA-N 323.356 2.589 0 40 DFAB COP(=O)(CCCOC(=O)C(C)(C)Br)OC 627276202 CAOASSHXVSWIKX-UHFFFAOYSA-N 317.116 2.579 0 40 DFAB CN([C@H]1CCCC[C@@H]1O)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585288790 JIGMQHGRNOTROS-LTFXXXRZSA-N 319.445 2.583 0 40 DFAB CCCCN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103369 BJTYGAJCCIDLTP-SFHVURJKSA-N 320.408 2.681 0 40 DFAB CC(=O)CCCCCNS(=O)(=O)c1cc(F)cc(Cl)c1 585142156 QFRPKOVYNPDVMN-UHFFFAOYSA-N 321.801 2.907 0 40 DFAB COCc1nnc2n1CCN(Cc1ccc3ccccc3n1)[C@H]2C 585097819 QYVXUOUTUKNNCR-ZDUSSCGKSA-N 323.400 2.550 0 40 DFAB NCc1cc2c(I)cccc2nc1Cl 685937143 JTGDBTFGDVGKFQ-UHFFFAOYSA-N 318.545 2.952 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 50512959 OKYBEKSMNIMGRU-AWEZNQCLSA-N 303.745 2.984 0 40 DFAB O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 66812879 VYACYHOWAMHQTD-ZDUSSCGKSA-N 323.755 2.841 0 40 DFAB CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccccc1 68077129 NAHLBKRGDQPOEO-UHFFFAOYSA-N 304.371 2.754 0 40 DFAB Cc1nc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)oc1C 72299990 ALYDSULEXGETFO-CYBMUJFWSA-N 302.378 2.931 0 40 DFAB COc1cccc(N2CCN(Cc3csc(C)n3)CC2)c1 72553583 KLCPCQWDQHLFKX-UHFFFAOYSA-N 303.431 2.782 0 40 DFAB NCCCc1c[nH]c2cc(F)c(I)cc12 1857793083 FJOHYMMGILLLIU-UHFFFAOYSA-N 318.133 2.803 0 40 DFAB CC1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595946 URZDYIRDYLUNCH-RYRKJORJSA-N 314.429 2.556 0 40 DFAB O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1Cc1ccccc1F 12146205 IGVSCCUYXCYFLF-KRWDZBQOSA-N 324.355 2.977 0 40 DFAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C(C)C)n2)cc1F 15674336 CVHSSCXFYIFEIE-OCCSQVGLSA-N 305.353 2.700 0 40 DFAB biogenic,in-vitro O=C(NCCc1ccccc1)N1CCN(Cc2ccccc2)CC1 17115707 UAPMWGVEXIPEJG-UHFFFAOYSA-N 323.440 2.757 0 40 DFAB CCc1cccc2c(CN3CCc4c(nc(C)[nH]c4=O)C3)c[nH]c12 19523030 XJIPXBUAKJAUBX-UHFFFAOYSA-N 322.412 2.680 0 40 DFAB COC(=O)[C@H](N[C@@H]1CCSC1)c1ccc(Cl)c(F)c1 154716902 SNFHGOVLZIFZEN-BXKDBHETSA-N 303.786 2.788 0 40 DFAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C1CC1 3406794 YGBPAQMFYBVPPF-UHFFFAOYSA-N 312.369 2.800 0 40 DFAB COc1ccc(CCNc2ncnc3c2ccn3C)cc1OC 1889191906 CDTFVYLCJRMJPA-UHFFFAOYSA-N 312.373 2.640 0 40 DFAB Nc1nccnc1C(=O)Nc1ccc(OCc2ccccc2)cc1 12774290 DAZKOHKFQXZWRR-UHFFFAOYSA-N 320.352 2.890 0 40 DFAB COc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C=O)cc1 78549314 DWXSAVXAEOULJV-MRXNPFEDSA-N 324.336 2.731 0 40 DFAB CC1(C(=O)NC2CC3(CCN(Cc4cccnc4)CC3)C2)CC1 2056226647 WSKAPRJTMDZSOX-UHFFFAOYSA-N 313.445 2.743 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)C3CC(F)(F)C3)C[C@@H]21 1565544594 MQVWRIHCIZNAHA-GXFFZTMASA-N 321.371 2.743 0 40 DFAB CCCC(CCC)C(=O)NCc1n[nH]c(=O)c2ccccc12 5313205 HOTJGOTUQUQBRQ-UHFFFAOYSA-N 301.390 2.756 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F 8924629 IVYHKYPZHYBPEE-ZDUSSCGKSA-N 312.344 2.609 0 40 DFAB O=c1n(Cc2ccc(F)cc2)nc(-c2cccnc2)n1C1CC1 207956635 LVAZURXYQIZXPN-UHFFFAOYSA-N 310.332 2.629 0 40 DFAB Cc1cc(C)n([C@@H](CNC(=O)c2ccno2)c2ccsc2)n1 618256567 UNHDSQQZXLHGEG-ZDUSSCGKSA-N 316.386 2.569 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)/C=C/c2cccs2)cc1 90611671 UTXRXLBVBBFARC-SCOAYWHSSA-N 316.426 2.677 0 40 DFAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 101275138 KZNPNJIHRADYPQ-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB COC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 43985 XWECJLSKKFKBAX-UHFFFAOYSA-N 302.326 2.532 0 40 DFAB COC(=O)c1cccc(NC(=S)NCc2ccccc2)c1 134367 QRIILLRUAFDCRB-UHFFFAOYSA-N 300.383 2.960 0 40 DFAB O=C(Nc1cccc(Cl)c1F)c1cccc(-n2cnnn2)c1 20933158 WJINBKXVWMWJRX-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1 1347883 MPLWLMYFJHRUCH-UHFFFAOYSA-N 316.788 2.859 0 40 DFAB Cc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1C 4965852 NUERSIUSTQJHLY-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB Cc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 6707082 JUCQNXBRMPBVQL-UHFFFAOYSA-N 304.371 2.619 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCCC3)ccc12 489335 XTOJWOBUZUCTGY-UHFFFAOYSA-N 301.342 2.539 0 40 DFAB biogenic COc1cc2c(cc1I)N=CCC2=O 103524972 MPKBRTUISJQWOE-UHFFFAOYSA-N 301.083 2.589 0 40 DFAB C[C@H](NC(=O)c1ccccc1F)c1ccc(S(C)(=O)=O)cc1 10967704 FBVSVQSTNLJNMQ-NSHDSACASA-N 321.373 2.720 0 40 DFAB CCOC(=O)[C@H](C)Sc1nc2ccccc2c2nc(C)nn12 58004301 ZXUASQIFCYAXKK-VIFPVBQESA-N 316.386 2.630 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 22246553 NHNFCRWBKYYKPG-NOZJJQNGSA-N 324.402 2.829 0 40 DFAB O=C(CCc1cccs1)OCC(=O)c1ccc2c(c1)OCO2 22315008 CYRHRVRCWGKCNZ-UHFFFAOYSA-N 318.350 2.836 0 40 DFAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)C(C)C)c1 9064090 FBVZHPJVZLLSBO-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB Cc1cccc(OC[C@H](O)CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 104363220 FCELHKBLYVYJCE-SPUZQDLCSA-N 319.445 2.528 0 40 DFAB O=C(NCc1ccccc1)NCc1ccc(Cn2ccnc2)cc1 23178208 NVZCDNNICAADFB-UHFFFAOYSA-N 320.396 2.931 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 24586682 BHIWIFADWWWHRD-UHFFFAOYSA-N 314.385 2.728 0 40 DFAB Cc1cc(C)c(CNC(=O)Cc2c(C)[nH]c3ccccc23)c(=O)[nH]1 24631959 IRNLQWMUTYSISE-UHFFFAOYSA-N 323.396 2.640 0 40 DFAB CCN1C[C@@H](C(=O)N(Cc2ccco2)c2ccccc2)CC1=O 75892600 CNPMZXZYEVZWMT-AWEZNQCLSA-N 312.369 2.681 0 40 DFAB C[C@@H]1CN(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCO1 76018079 DDEJYWMWVJZEHG-BCFOUKGLSA-N 323.396 2.959 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)N[C@H](C)c2csc(C)n2)o1 76087398 QSBYRWMPJVBHEV-MEBBXXQBSA-N 323.418 2.621 0 40 DFAB COc1ccc(-c2nnc([C@H](C)N3CCO[C@@H](C)C3)o2)cc1 25756154 DRPPVSTYKASDDG-RYUDHWBXSA-N 303.362 2.527 0 40 DFAB CS[C@H](CO)[C@H](C)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 107588891 JZAATOWTSSYBOY-XOSAIJSUSA-N 308.491 2.524 0 40 DFAB CCn1cnnc1CNC(=O)C(C)(C)c1cccc(Cl)c1 76566126 HZILATPWPYMHSS-UHFFFAOYSA-N 306.797 2.545 0 40 DFAB CCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc(C(C)C)cc2)C1 57865865 NRSDSZJGPDOWPE-MSOLQXFVSA-N 318.461 2.692 0 40 DFAB CCOc1ccccc1C(=O)N1CCN(c2nccs2)CC1 44893967 VVIIWWQRCQYZJU-UHFFFAOYSA-N 317.414 2.504 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 58267785 LDSHLLRBHOZHFW-NSHDSACASA-N 324.327 2.996 0 40 DFAB CCOCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58380121 UVQMJDNPTFJUHX-GOSISDBHSA-N 318.461 2.832 0 40 DFAB CCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3s2)C1 58440201 UCSRFINCKXYULC-LBPRGKRZSA-N 303.431 2.644 0 40 DFAB C[C@H](Sc1nncn1C1CC1)C(=O)N(C)c1ccccc1 10648628 HBNMHJHESPPBBO-NSHDSACASA-N 302.403 2.757 0 40 DFAB O=C1CSc2ccc(C(=O)NOCc3ccccc3)cc2N1 11208465 MPDZVNSAJLKYFQ-UHFFFAOYSA-N 314.366 2.592 0 40 DFAB CCCOCc1ccccc1CNc1cn[nH]c(=O)c1Cl 48355474 ZBDWNBBQOSZQJW-UHFFFAOYSA-N 307.781 2.962 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 45682094 SGWIXYJKTATHGJ-MKBNYLNASA-N 319.405 2.573 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 3884805 RAWKLUXIRPAWQY-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cccc(CO)c1 13466517 YSSCAVGALWRMPE-UHFFFAOYSA-N 305.374 2.933 0 40 DFAB O=C(Oc1ccc2c(c1)OCO2)c1cncc(Br)c1 6226553 QVPAWYIREYVGGB-UHFFFAOYSA-N 322.114 2.792 0 40 DFAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 13938121 LRYVWAYRMRPENP-JTQLQIEISA-N 319.411 2.731 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cccc(OCCOC)c2)s1 65594425 IYCXGPHIBOKKTH-VOTSOKGWSA-N 318.398 2.698 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cc(OC)ccc2OC)c1 14167144 FMTZFTRJFRQPBU-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cccnc2SC)c1 14115986 MNIHRIUNDRFERZ-UHFFFAOYSA-N 302.355 2.842 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 69870419 PVWDDGNVNLOQKM-AWEZNQCLSA-N 324.371 2.874 0 40 DFAB CCOCCO[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CCC1 65626834 DFSGFQNOELKWOC-AWEZNQCLSA-N 323.408 2.805 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1Cc1ccccc1Cl 408625300 XIZCKGZRLZQNGW-OBPPPDSMSA-N 313.784 2.893 0 40 DFAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 6638344 DNZOXSCJSSZESM-UHFFFAOYSA-N 321.377 2.722 0 40 DFAB Cc1ccccc1-c1noc(CN[C@@H](C)[C@H](C)n2cccn2)n1 69973154 HOJAJJJBYRNJLI-KBPBESRZSA-N 311.389 2.981 0 40 DFAB Nc1c(C(=O)Nc2ccccc2C(=O)O)sc2ncccc12 15019391 FHLTZXMTKCPKGJ-UHFFFAOYSA-N 313.338 2.829 0 40 DFAB CC(C)(C)NC(=O)CNC(=O)/C=C/c1ccc(F)c(Cl)c1 6986282 FQKZYXGAULVFAJ-FNORWQNLSA-N 312.772 2.523 0 40 DFAB CN(C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CCCC1 67200117 FRJHJAVRVAKXGF-HZPDHXFCSA-N 304.409 2.920 0 40 DFAB Cc1cscc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 92575421 GCRDSPGIKNQBJC-ZDUSSCGKSA-N 314.410 2.871 0 40 DFAB CC1CCN(CCCCNC(=O)Nc2ccc(F)cn2)CC1 96013093 RLOAWDLLYUSKCC-UHFFFAOYSA-N 308.401 2.854 0 40 DFAB COCc1cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)ncn1 96007993 WOAONNVHHAIRTP-YUTCNCBUSA-N 304.394 2.665 0 40 DFAB CN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCN(CC2CC2)C1 72290873 QXSHAFRWQQKSIX-HNNXBMFYSA-N 323.387 2.591 0 40 DFAB O=C(NCc1ccco1)Nc1ccc(N2CCOCC2)c(F)c1 71794741 MXWYBVRPXFAPFJ-UHFFFAOYSA-N 319.336 2.577 0 40 DFAB COc1ccc(CN[C@@H](C)CN2CCCC2=O)c2ccccc12 71810448 SNAIWMCXVMBDCD-AWEZNQCLSA-N 312.413 2.949 0 40 DFAB Clc1cncc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)n1 71894355 KZNFZROCJCGLQW-UHFFFAOYSA-N 304.785 2.510 0 40 DFAB COCCCN(C)C(=O)Nc1ccc(N2CCSCC2)cc1 71921966 SSZORHMAOYZEPZ-UHFFFAOYSA-N 323.462 2.740 0 40 DFAB CCOc1cc(C(=O)N2CCOCC2)cc(Cl)c1OCC 409376030 SKXXDNVQKDUDMO-UHFFFAOYSA-N 313.781 2.610 0 40 DFAB O=C(Nc1ccnn1CC1CC1)c1cc(F)c(F)c(O)c1F 97112885 SEBRSEFEFPNRGS-UHFFFAOYSA-N 311.263 2.668 0 40 DFAB c1ccc(-c2noc(CN3CCC(c4cn[nH]c4)CC3)n2)cc1 97203025 RTRNLMPXGMNSCG-UHFFFAOYSA-N 309.373 2.839 0 40 DFAB COC(=O)c1c(C2CC2)csc1NC(=O)C[C@@H]1CCCO1 84577078 YMRZAZLVGDPBOZ-JTQLQIEISA-N 309.387 2.920 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2[nH]ccc12 84714928 DZFRLYAWKSXVKP-DYVFJYSZSA-N 311.429 2.905 0 40 DFAB O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCc2ccccc21 95426805 ROGHFFMEGFWPEY-RHSMWYFYSA-N 318.442 2.813 0 40 DFAB OCC1CCN(c2ccc(NCc3ccsc3)nc2)CC1 95427581 FBFGCMWGEUVRKR-UHFFFAOYSA-N 303.431 2.964 0 40 DFAB CNCc1cccc(NC(=O)c2ccn(-c3ccccc3F)n2)c1 95427847 QPEBYUCLFRUTEP-UHFFFAOYSA-N 324.359 2.983 0 40 DFAB Cc1ccc(C(=O)NCCCNCc2cccnc2)cc1Cl 95947403 WBMUUVMPFHFFNJ-UHFFFAOYSA-N 317.820 2.953 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)NC[C@@H](O)c1ccco1 74740243 KNJMEYNOPGEDDH-CMPLNLGQSA-N 322.336 2.521 0 40 DFAB CSC1(CNC(=O)N2CC[C@H]3CCCC[C@@H]32)CCOCC1 74738876 QPHSHXJMUHLVMX-KGLIPLIRSA-N 312.479 2.873 0 40 DFAB Cc1ccc(-c2nsc(C(=O)NC[C@H]3CCCO3)c2N)cc1 62007052 LRZJMSLOOSPVOT-GFCCVEGCSA-N 317.414 2.610 0 40 DFAB CCC[C@@H](N)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 182518919 XOCVICUQYYPUGB-DOTOQJQBSA-N 309.498 2.617 0 40 DFAB CC(C)(C)n1cc(C(=O)NC[C@@H](O)c2ccccc2Cl)cn1 77631916 RPWJLJVKHADIFP-CQSZACIVSA-N 321.808 2.755 0 40 DFAB C/C=C/C=C/C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30507767 KWWLHISVDOJEPX-OMUCWJHPSA-N 300.358 2.875 0 40 DFAB COc1ccccc1-c1csc(CCN2CCCC2=O)n1 30447743 JLHXESKDKHZZNI-UHFFFAOYSA-N 302.399 2.984 0 40 DFAB CCOCc1ccccc1CNC(=O)N1CCO[C@@](C)(CC)C1 187775784 LZNCCKQUUYYGBJ-SFHVURJKSA-N 320.433 2.934 0 40 DFAB O=S(=O)(Nc1ncccc1Cl)c1cc(F)c(F)c(F)c1 180202017 LMGIKVCEEHKZGQ-UHFFFAOYSA-N 322.695 2.953 0 40 DFAB CC(C)c1nnc(NC(=O)CCc2nc(C(C)(C)C)no2)s1 32922849 CEXIHSTYCFQBDX-UHFFFAOYSA-N 323.422 2.913 0 40 DFAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)N1CCCCC1 36625762 KOMFWINIJKAARF-MDZDMXLPSA-N 322.408 2.973 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2C(=O)CCCC[C@@H]2N1Cc1ccccc1 212416703 BHSQQNRNUQVUSQ-IXDOHACOSA-N 315.413 2.952 0 40 DFAB biogenic Cc1nc(Cl)c(Cl)cc1C(=O)N(C)CCN(C)C1CC1 521394923 IYFGEWYGZHZOCL-UHFFFAOYSA-N 316.232 2.863 0 40 DFAB COc1cccc(OCC(=O)NCCCc2ccc(F)cc2)c1 222790606 QLNAZXUPSAGYJP-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB O=C(O)[C@@H](c1ccccc1F)N1CC[C@@H](c2cccnc2)C1 568060180 UTAJAGSEXRCSND-CZUORRHYSA-N 300.333 2.836 0 40 DFAB O=C(C[C@H]1CNCCO1)Nc1cccc(Oc2ccccc2)c1 195531125 RVWLPZITQOPOQI-KRWDZBQOSA-N 312.369 2.796 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CC[C@@H](C2CCOCC2)C1 576950104 DBRCEUCPQLIPLC-GDBMZVCRSA-N 307.365 2.700 0 40 DFAB COc1cc2cc(C(=O)Nc3nccs3)[nH]c2cc1OC 96118561 DKDWVWGWFIBSCB-UHFFFAOYSA-N 303.343 2.894 0 40 DFAB O[C@H](CN1CCN(c2ccncc2)CC1)c1ccccc1Cl 96473715 WHZYZBLBNMPFJK-QGZVFWFLSA-N 317.820 2.591 0 40 DFAB Cc1ncsc1CCN1CCN([C@@H](C)c2cccnc2)CC1 96424326 DMQDXYCCGDMTHS-HNNXBMFYSA-N 316.474 2.768 0 40 DFAB C[C@H]1CC(C)(C)CC[C@H]1NCCn1c(=O)oc2cccnc21 97099800 ZSUCNBOEPOQSES-QWHCGFSZSA-N 303.406 2.794 0 40 DFAB C[C@H]1c2ccsc2CCN1S(=O)(=O)CC[C@@H]1CCCO1 96472389 ZCZXIUAFZVFZJQ-RYUDHWBXSA-N 315.460 2.566 0 40 DFAB Fc1ccccc1OC[C@H]1CO[C@@H]2CN(Cc3ccco3)C[C@@H]21 96216530 HHVARPQZHBIVEP-JCKWVBRZSA-N 317.360 2.945 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccccc1C)C2 96039059 ZYNPRFIEDZORTH-WMZOPIPTSA-N 303.402 2.653 0 40 DFAB N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O 91302063 COZIJLDLJMKBRZ-LDYMZIIASA-N 322.277 2.560 0 40 DFAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)NC(C)(C)C 95094960 NWPJFWHVINRFMY-UHFFFAOYSA-N 313.781 2.845 0 40 DFAB Cc1ccc(CN2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)o1 248124316 WKDLEJJUXBPDEV-SOVGHPHASA-N 323.396 2.877 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2ccccc2)CC1 51129005 KXBYHGQXPIQERV-CQSZACIVSA-N 312.417 2.826 0 40 DFAB CCC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 257342538 ZPCLGMVMYLPJMD-SHTZXODSSA-N 320.481 2.624 0 40 DFAB CCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 298135413 KSPVYWKSHVOZQM-UHFFFAOYSA-N 315.417 2.523 0 40 DFAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCc2ncncc2C1 96122792 XBBPMVZZXUVTGJ-UHFFFAOYSA-N 322.343 2.809 0 40 DFAB CCOc1ccc(NC(=O)NCCCn2ccnc2)c(C)c1 48142158 GTBHHLIDNHJLIW-UHFFFAOYSA-N 302.378 2.802 0 40 DFAB C[C@H](NC(=O)OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 56325485 PMXRRCPIGIIWHH-QMMMGPOBSA-N 316.279 2.921 0 40 DFAB COc1cccc2c1OC[C@@H](NC(=O)NCc1cccs1)C2 69738117 INEVEBOALJSZOX-LBPRGKRZSA-N 318.398 2.560 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccn(CCO)n1 72305760 BRZHPLJTYKNXPS-UHFFFAOYSA-N 314.267 2.538 0 40 DFAB O=C(c1ccoc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 102310086 GVKSIQAZZJXOTL-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107521 HWKPGKRXMPEZQE-UHFFFAOYSA-N 317.292 2.740 0 40 DFAB CCCn1c(SC(C)C)nc2cc(S(N)(=O)=O)ccc21 15355688 ZOZFENUNPWVHSI-UHFFFAOYSA-N 313.448 2.594 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 15578335 ANVIEPYEOLKGTP-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB COc1cccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c1 19937248 ZLXXZRHMEAYDHE-UHFFFAOYSA-N 321.336 2.698 0 40 DFAB CCc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1 35311960 SPYARMLDSOAQHF-UHFFFAOYSA-N 310.401 2.894 0 40 DFAB CC[C@H](NC(N)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 14229805 UNKSEXAUFGPTEZ-LBPRGKRZSA-N 318.402 2.504 0 40 DFAB C[C@@H](C(=O)O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19851715 GWIBVTZGWHETDJ-INIZCTEOSA-N 324.424 2.867 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cnccn2)C1 1848352142 CKWKHPJJDANRSU-CQSZACIVSA-N 320.396 2.907 0 40 DFAB Cc1cc2nc(NCCCn3cccn3)c3ccccc3n2n1 30517575 CWPPIEDJYJFKIU-UHFFFAOYSA-N 306.373 2.890 0 40 DFAB Cc1csc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)n1 26901123 HZXKXYXGOQWGGZ-VIFPVBQESA-N 307.341 2.664 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1cccs1 8931745 POAOKYQLJSFPJM-UHFFFAOYSA-N 305.384 2.687 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCn2c1nc1ccccc12 36709830 IAUVTVKBXFOFSV-UHFFFAOYSA-N 320.308 2.945 0 40 DFAB CC(C)(C)c1ccc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)nn1 2298174715 IRAIRKJLNHAXMR-ZIAGYGMSSA-N 300.450 2.695 0 40 DFAB COC(=O)[C@@H](NC(=O)N[C@H](C)CCc1ccccc1)C(C)C 2433965 KRWUPCIQJYNXJB-HIFRSBDPSA-N 306.406 2.505 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1n[nH]c(=O)c2ccccc12 30028913 OGQQUENBFQNNTG-UHFFFAOYSA-N 319.364 2.825 0 40 DFAB CC1=NN(c2ccc(C(=O)NCc3ccccc3CO)cc2)CC1 50001737 FPPFVYYOILHUAX-UHFFFAOYSA-N 323.396 2.695 0 40 DFAB NC(=O)c1ccc(C(F)(F)F)n(CCCc2ccccc2)c1=O 31798856 WUPDTYISIJRWPR-UHFFFAOYSA-N 324.302 2.599 0 40 DFAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 40513414 OUHULQZUXWVGAX-JTQLQIEISA-N 322.771 2.627 0 40 DFAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc(C(C)(C)C)no1 40511410 AWSHVHBQEOGMRP-MRVPVSSYSA-N 301.350 2.710 0 40 DFAB CC1=NN(CC(C)C)C(=O)[C@@H]1C(=O)Nc1ccccc1Cl 101186864 KCUNGERLXVSSLG-ZDUSSCGKSA-N 307.781 2.769 0 40 DFAB CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(SC)n1 200255 OJCLHYBCZYCJGR-UHFFFAOYSA-N 320.374 2.604 0 40 DFAB O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2ccccc2)n1 11781218 CJQWWJOKKRZNLP-UHFFFAOYSA-N 323.327 2.683 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1CC1CC1 46149410 KZMQCTRGUUCXOK-KBPBESRZSA-N 318.442 2.670 0 40 DFAB CC(C)N(CCS(=O)(=O)c1ccccc1)Cc1ccccn1 52217820 DUCPLKLZSWXDEG-UHFFFAOYSA-N 318.442 2.766 0 40 DFAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc1 102259282 CEVVVIXRBQLFKB-GVARAGBVSA-N 301.342 2.547 0 40 DFAB Cc1cccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)c1 6055560 MQIVIQSYKJJPAO-MRXNPFEDSA-N 312.369 2.567 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccccc1F 2663412 IRNDCSAPGMEUML-NSHDSACASA-N 302.305 2.787 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1 7757153 SHQGNVDRUGDBIA-CYBMUJFWSA-N 303.745 2.910 0 40 DFAB CCC(=O)N1CCN(C(=O)c2ccc3sccc3c2)CC1 89941723 FCDQDGLTDUMMER-UHFFFAOYSA-N 302.399 2.596 0 40 DFAB COCC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 32906913 HZRCUEWJEZEGQO-UHFFFAOYSA-N 314.172 2.823 0 40 DFAB COc1cc([C@H]2CC(=O)c3c(C)n[nH]c3C2)cc(OC)c1OC 8021556 PZKYPSDXSTYGPP-SNVBAGLBSA-N 316.357 2.657 0 40 DFAB Cc1nc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)sc1C 33157356 VBKRQEYNJKHZIM-CYBMUJFWSA-N 301.371 2.892 0 40 DFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccsc1 22537675 QDUZFFWLOTYOTF-UHFFFAOYSA-N 302.307 2.917 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1ncnc3nc[nH]c13)C2=O 100970357 VYJDLHKJCUOOCT-AVZKPZGTSA-N 302.403 2.839 0 40 DFAB Cc1nn(-c2ccc(C(=O)Nc3nc[nH]n3)cc2)c(C)c1Cl 23142641 PHWZJHKLXWVKMG-UHFFFAOYSA-N 316.752 2.513 0 40 DFAB CN(CC(=O)OCc1cccc2ccccc12)c1ncccn1 23173563 ZDEWUEIFDVQMOB-UHFFFAOYSA-N 307.353 2.809 0 40 DFAB CC[C@H](C(=O)OC)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 914915 ZLJFBIKTVWNLSS-GXSJLCMTSA-N 320.414 2.707 0 40 DFAB CCCOc1ccccc1NC(=O)N1CCC2(CC1)OCCO2 43452413 BALDLFZFXNIPOX-UHFFFAOYSA-N 320.389 2.846 0 40 DFAB O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccccn1 55649644 YDGQTFHRIDGGOU-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1[nH]c2ccccc2c1Cl 56260535 GDUWZHUDIDTQMQ-UHFFFAOYSA-N 321.808 2.808 0 40 DFAB C(=C/c1ccccn1)\c1cccc(Nc2ccc3nnnn3n2)c1 12534603 LMCMZVLZLCTBOJ-BQYQJAHWSA-N 315.340 2.828 0 40 DFAB Cc1ccc(OCC(=O)N(CC(=O)O)C2CCCCC2)cc1 57634372 LQHUJGPSXATOID-UHFFFAOYSA-N 305.374 2.620 0 40 DFAB CN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)N(C)C 44891264 MGBNEFUNSGHYQX-ZDUSSCGKSA-N 307.419 2.785 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20151261 YRKABHMWMHCMJB-UHFFFAOYSA-N 318.398 2.970 0 40 DFAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)[C@H](C)OCC1CC1 58415118 KFHFWWMULWRBAZ-NSHDSACASA-N 300.362 2.534 0 40 DFAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1 36357073 OBDSFMRELASLAY-MRXNPFEDSA-N 307.357 2.518 0 40 DFAB CCCOC(=O)c1ccc(NCC(=O)Nc2cc(C)on2)cc1 11042781 ASLHVMFQDFGSBI-UHFFFAOYSA-N 317.345 2.600 0 40 DFAB CN(C)CC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306129578 IHFIOJFRUKVTSU-KRWDZBQOSA-N 323.444 2.873 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1 12775969 BQBALPBPGUVQCG-LLVKDONJSA-N 318.300 2.824 0 40 DFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccccc1F 12877345 KKRNGKRGOMLCKZ-HNNXBMFYSA-N 320.364 2.995 0 40 DFAB O=C1CCCN1CCCNc1ncnc2cc(Cl)ccc12 12898027 DAEHQZBMIMTFHB-UHFFFAOYSA-N 304.781 2.708 0 40 DFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CC(F)(F)F)c1 49126033 GLAQDNKGGXDMRY-JTQLQIEISA-N 316.323 2.784 0 40 DFAB OCCNc1nc(Cc2ccccc2)nc2c1SCCC2 13629364 CTIOOTKXTMQDRE-UHFFFAOYSA-N 301.415 2.510 0 40 DFAB Cn1c(N)c(C(=O)NC2CCCCCC2)c(=O)c2ccccc21 5031487 ZTGNQSSEMIATOX-UHFFFAOYSA-N 313.401 2.573 0 40 DFAB Cc1cc(OCC(=O)O[C@H](C)C(N)=O)c(C(C)C)cc1Cl 6163973 LSGZTJKLPHYDKZ-SNVBAGLBSA-N 313.781 2.568 0 40 DFAB C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(Cl)cn1 6291394 LRFXUTPHKZMPJL-WDEREUQCSA-N 308.765 2.962 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 6320349 WJXLIZDAOKATFE-LLVKDONJSA-N 307.419 2.571 0 40 DFAB C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1 65529909 XZAPMOOUSUUBNK-ZDUSSCGKSA-N 309.369 2.816 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ncccn2n1 14184465 NOKCKNWIQWCFAE-UHFFFAOYSA-N 323.381 2.889 0 40 DFAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C1CC1 14115073 FFFWTMYREXWZEQ-UHFFFAOYSA-N 323.447 2.671 0 40 DFAB C[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2OCCO3)c2ccnn21 67055296 GHJBNOXVVVRMHQ-NEPJUHHUSA-N 313.357 2.654 0 40 DFAB CSc1ccc(NC(=O)CSc2nnc(C)n2C)cc1 8775299 PNENVAACCFEYRC-UHFFFAOYSA-N 308.432 2.576 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)C1CCN(C(=O)C2CC2)CC1 18254526 SCGLNZLAQMXRJV-UHFFFAOYSA-N 308.328 2.552 0 40 DFAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2ccnc2)C(=O)CCC1 7425256 GWPZGUYPJJQQFR-AWEZNQCLSA-N 323.396 2.726 0 40 DFAB COc1cc(NC(=O)c2cnn(-c3ccccc3)n2)cc(OC)c1 7474677 NNUHKIBUOWGZRF-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCN(C2CC2)C1 84062092 HWSXDPGMIQGEQW-LBPRGKRZSA-N 307.463 2.789 0 40 DFAB CC[C@H](C)N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1 19499927 ZGASDOKQTKUXBI-AWEZNQCLSA-N 322.449 2.629 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 9114476 YVIAMXHMMNTCRR-NSHDSACASA-N 310.357 2.766 0 40 DFAB C[C@H]1CCCN(C(=O)COC[C@H]2CCOC2)c2ccccc21 96013983 CQUWVWDYSYBOCF-GJZGRUSLSA-N 303.402 2.970 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cn1 96008106 FJOWDKOHCGBKIX-UHFFFAOYSA-N 324.258 2.928 0 40 DFAB CCc1nnc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)n1C 97081917 ASYYSCRJQIGPSI-ZDUSSCGKSA-N 324.432 2.722 0 40 DFAB CCc1cc(CN[C@H](C)CC(=O)Nc2ccc(OC)cc2)on1 96478228 ZYRGGOBMSMZXLQ-GFCCVEGCSA-N 317.389 2.753 0 40 DFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1F 67206085 AQUXWJGZENLDKQ-UHFFFAOYSA-N 316.351 2.970 0 40 DFAB Cc1cccn2c(=O)cc(CN3CC[C@@H](c4ccccc4)C3)nc12 84247940 MUHRAJFFZFRBGF-QGZVFWFLSA-N 319.408 2.992 0 40 DFAB Cc1nccn1Cc1ccc(NC(=O)NCCn2cccc2)cc1 84290921 WZBUGOXYYUGERD-UHFFFAOYSA-N 323.400 2.863 0 40 DFAB CC(C)c1nnc2n1C[C@H](Nc1cnc3ccccc3n1)CC2 97199322 XIZUCBKXJZDNHK-GFCCVEGCSA-N 308.389 2.772 0 40 DFAB CC(C)C[C@@H](C)NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97143136 JHHIGIQSVLKZFK-CVEARBPZSA-N 318.465 2.904 0 40 DFAB CN(C)c1ncnc2c1CN(Cc1cccc3cccnc13)CC2 97202557 IWRGDPYSUYLDBJ-UHFFFAOYSA-N 319.412 2.649 0 40 DFAB c1ccc2c(c1)OC[C@@H](c1nnc(SC[C@@H]3CCCO3)o1)O2 84583204 HXIPNJKTCBBIGE-GWCFXTLKSA-N 320.370 2.853 0 40 DFAB CC1CCN(C(=O)c2ccc(NC[C@H]3CCC[C@@H]3O)nc2)CC1 76061407 GUVQPYIAWAYGGT-ZBFHGGJFSA-N 317.433 2.527 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc43)C2)n[nH]1 76059824 PPGFKCLCXXKNGR-UKRRQHHQSA-N 311.385 2.600 0 40 DFAB CN(C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN(C2CC2)C1 95457098 MDYHGELKQSERGN-HXUWFJFHSA-N 313.489 2.820 0 40 DFAB Cc1nn(C)c(C)c1C(=O)OCc1cn(C)nc1-c1ccccc1 95460290 KELDJWRJDRXGLO-UHFFFAOYSA-N 324.384 2.794 0 40 DFAB CNC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)nn2C)c1 95405802 HHECOXVPMBLQKC-UHFFFAOYSA-N 315.377 2.547 0 40 DFAB COc1ccc(-c2noc(-c3nc(-c4cccnc4)no3)n2)cc1 98212357 AISJGLKNCNXGJU-UHFFFAOYSA-N 321.296 2.857 0 40 DFAB CCN(C[C@H](C)C(=O)O)C(=O)c1sc(C)cc1OC(F)F 95970626 HASUAUXOTYPCFI-ZETCQYMHSA-N 321.345 2.841 0 40 DFAB C[C@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)[S@@](C)=O 95939471 PXWPNROCCKBGML-PEBXRYMYSA-N 322.474 2.608 0 40 DFAB C[C@H](NCc1noc2c1CCCC2)c1ccc(-n2cncn2)cc1 95984302 JTISKRRQWPJWBI-ZDUSSCGKSA-N 323.400 2.985 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1csc(-c2ccccn2)n1 95996801 YWUQWDFKEKYPNK-LLVKDONJSA-N 321.402 2.585 0 40 DFAB c1c[nH]c([C@@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)n1 95971479 WFCBDQLTALBUMX-LLVKDONJSA-N 315.402 2.901 0 40 DFAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CSCN1 95970963 XHSDIXRXHDCFQH-QGZVFWFLSA-N 312.438 2.597 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)OC(=O)[C@@H]1CCCN(C(N)=O)C1 78949061 CNVWOWFJBBCXDX-CVEARBPZSA-N 318.417 2.650 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)NC[C@@H](C)Cn2ccnc2)cc1 78986646 VHSFZEOPOYFZGX-CQSZACIVSA-N 324.384 2.913 0 40 DFAB Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)n(C)n1 89763716 UWDSBTSNUDMDQH-AWEZNQCLSA-N 319.792 2.675 0 40 DFAB COc1ccccc1CC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 89894961 SOKJJMORRBSDJD-YOEHRIQHSA-N 313.397 2.866 0 40 DFAB COc1ncccc1NC(=O)NC(C)(C)c1ncc(C)s1 79794853 PBJZXGNTYKIFBE-UHFFFAOYSA-N 306.391 2.912 0 40 DFAB CN1CCC(CNC(=O)NCc2cccc3ccccc23)CC1 38489546 AVZHLCOZABMDKC-UHFFFAOYSA-N 311.429 2.981 0 40 DFAB O=C(C[C@H](C(=O)c1ccccc1)N1CCOCC1)c1ccccc1 31912299 DNCILQJSGUTVNA-GOSISDBHSA-N 323.392 2.843 0 40 DFAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccccn1 32609912 MOFIKVXDXXQMJA-UHFFFAOYSA-N 313.748 2.627 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCc2ccc(OC)c(F)c2)CCO1 187774453 HMZADKFLDVDRKH-INIZCTEOSA-N 310.369 2.545 0 40 DFAB CN(Cc1nnc2ccccn12)c1ncccc1C(F)(F)F 79089516 ICCXIKFTQSJMRD-UHFFFAOYSA-N 307.279 2.780 0 40 DFAB CC[C@@]1(C)CN(C(=O)NC[C@@H](C)c2c(C)noc2C)CCO1 188228465 PRGNVCIAIRPCLJ-BZNIZROVSA-N 309.410 2.605 0 40 DFAB C[C@H](c1cnccn1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 72203805 BMBJOIKANPVNBK-CYBMUJFWSA-N 320.437 2.869 0 40 DFAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1nccc2ccccc12 567658892 RWQSPLVEDKBJIP-OAHLLOKOSA-N 311.385 2.964 0 40 DFAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1nc(-c2ccsc2)no1 568290267 DTRCTHNYXKVJNC-SCVCMEIPSA-N 321.402 2.872 0 40 DFAB CN(C(=O)[C@H]1COCCO1)C1c2ccccc2-c2ccccc21 81396902 OKPKJIUJOCQLEH-QGZVFWFLSA-N 309.365 2.630 0 40 DFAB COc1ncccc1C(=O)N1CCSC[C@@H]1c1ccc(C)o1 81346408 JHDMHEIHYNEFRR-CYBMUJFWSA-N 318.398 2.922 0 40 DFAB COc1ccc(CNc2cccc3c2CCNC3=O)c(OC)c1 580880283 BRTDKRWIGBYRQV-UHFFFAOYSA-N 312.369 2.602 0 40 DFAB CCS(=O)(=O)CCN(C)C(=O)Nc1cccc(C(C)C)c1 90000573 VKEUVVXKHTVTHC-UHFFFAOYSA-N 312.435 2.708 0 40 DFAB CC(C)COc1ccc([C@H](C)NC(=O)N2CC[C@@H](CO)C2)cc1 96467269 AZJDIDHBACKNKO-LSDHHAIUSA-N 320.433 2.806 0 40 DFAB O=C(O)[C@H](c1ccc(F)cc1)N1CC[C@H](C2CCOCC2)C1 576950106 DBRCEUCPQLIPLC-HOCLYGCPSA-N 307.365 2.700 0 40 DFAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2ccccc2O)n[nH]1 95533939 HPBHTDXWRSSZNK-ZDUSSCGKSA-N 300.749 2.879 0 40 DFAB c1cncc(CO[C@@H]2CN(Cc3ccco3)[C@H]3CCCO[C@@H]32)c1 96058090 AQUSVBQJHPREDM-KSZLIROESA-N 314.385 2.623 0 40 DFAB Cc1occc1COC(=O)c1ccc(-n2cncn2)c(F)c1 96442102 JSZXDYCRCZSAFC-UHFFFAOYSA-N 301.277 2.665 0 40 DFAB c1ccc(N2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)nc1 96226371 CUDAZZIETFXCLG-GOSISDBHSA-N 313.401 2.546 0 40 DFAB Cc1ccccc1N1C[C@]2(CCN(C3CCOCC3)C2)CC1=O 96238652 DOEFSDQGOFPHDZ-LJQANCHMSA-N 314.429 2.603 0 40 DFAB Cc1ccc(NC(=O)c2ncn(C[C@H](O)c3ccccc3)n2)cc1 583648843 ACEVAIFJNKANQL-INIZCTEOSA-N 322.368 2.572 0 40 DFAB CCOC(=O)c1cc(C23CC(C(=O)O)(C2)C3)c2ccccc2n1 575624159 OQIOKWHRLZDXFS-UHFFFAOYSA-N 311.337 2.918 0 40 DFAB O=C(NCc1cn(-c2cccs2)nn1)c1ccc(Cl)s1 575616409 KREHTOKUKZFLPD-UHFFFAOYSA-N 324.818 2.974 0 40 DFAB COc1ccc(/C=C(\C)CN2CCN(CC(F)F)CC2)cc1 585139769 QYONYVNOBBXBCD-SDNWHVSQSA-N 310.388 2.981 0 40 DFAB COC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 55208495 VIWZCBPQGZXCRR-UHFFFAOYSA-N 319.792 2.981 0 40 DFAB Cc1cc(C)c2c(N)c(C(=O)Nc3cc(C)nn3C)sc2n1 57963226 LIICITJHDLNPEH-UHFFFAOYSA-N 315.402 2.790 0 40 DFAB Cc1cc(C(=O)Nc2ccc(OCc3nnc(C)o3)cc2)no1 72283734 KLPDICSAWHHLMH-UHFFFAOYSA-N 314.301 2.506 0 40 DFAB C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H](c2ccccc2)O1 72273696 HYMDFQXMVHMAHQ-NVXWUHKLSA-N 313.401 2.652 0 40 DFAB Cc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)ccc1F 105904944 YYQKEYODAOEKDZ-OAHLLOKOSA-N 300.381 2.683 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 89410475 ZGTVOTLSJJCTGE-STQMWFEESA-N 316.323 2.605 0 40 DFAB CCCNC(=O)Nc1ccccc1C(=O)NCc1ccco1 5007123 OXUMLUISZSXJEY-UHFFFAOYSA-N 301.346 2.741 0 40 DFAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 5251177 ZVRVZRVCGPSLPC-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCC 17047508 PCHUBPHMSXVCEZ-FZKCQIBNSA-N 306.450 2.647 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C)CC1 19747001 VGUVNYNVBJKESV-MRXNPFEDSA-N 319.449 2.882 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(F)c(F)c1 35880515 SPQAOOUJELOKGO-VQSQSKOLSA-N 307.296 2.816 0 40 DFAB S=C(NC[C@H]1CCCO1)Nc1cccc(Br)c1 13786944 RGALINBISRJGBR-LLVKDONJSA-N 315.236 2.915 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 21357810 JWGNCSDCUCJNDN-UHFFFAOYSA-N 305.337 2.847 0 40 DFAB COc1cccc2c1N(Cc1cc(=O)n3ccccc3n1)CCC2 26338954 YTIOROSJPBVEBV-UHFFFAOYSA-N 321.380 2.656 0 40 DFAB O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1C[C@H]1CCCO1 141093 TZJCYORTWPUNAZ-UZLBHIALSA-N 323.392 2.709 0 40 DFAB CCc1ccc([C@]23OC(=O)C(C)(C)[C@@H]2OC(=O)C3(C)C)cc1 141742 KFBGJPFZIHHXOY-UGSOOPFHSA-N 302.370 2.979 0 40 DFAB CCC(=O)N1CCCc2cc(NS(=O)(=O)CC(C)C)ccc21 12180377 WEAFXKUCJLOGIV-UHFFFAOYSA-N 324.446 2.774 0 40 DFAB CC1(C)C(=O)NCCN1C(=O)c1sc2ccccc2c1Cl 12234704 UJTQIFFTSLAKTF-UHFFFAOYSA-N 322.817 2.905 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nn(C)cc21 2055751191 RMTQKGMXZGAYSM-ZDUSSCGKSA-N 321.371 2.834 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C(N)=O)c1 40496985 OQEJWFNXZZWPNT-AWEZNQCLSA-N 314.410 2.997 0 40 DFAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2 40488986 JOVBZHHDGKBFOW-SECBINFHSA-N 324.306 2.734 0 40 DFAB C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)c2ccccc21 40556003 HJKWVPUISGODFW-ZDUSSCGKSA-N 319.368 2.816 0 40 DFAB O=C1CCc2cc(NC(=O)[C@H]3Cc4ccccc4O3)ccc2N1 31988392 LVMQFNNJYNRTKO-MRXNPFEDSA-N 308.337 2.514 0 40 DFAB Cc1ccc(-c2cc(C(=O)NCCc3ccccn3)n[nH]2)cc1 32146103 INTGPLGDNRVALX-UHFFFAOYSA-N 306.369 2.753 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H]2COc2ccccc2)o1 81397669 QVFMSXHXVHDFIV-AWEZNQCLSA-N 300.358 2.975 0 40 DFAB O=C(Oc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1 411622 OCSUVPAWBIOUPM-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NC(C)C 1338219 RJDUEFUJBYRMAI-UHFFFAOYSA-N 308.403 2.713 0 40 DFAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 3977848 UHQGCIIQUZBJAE-ATNRFADISA-N 302.414 2.883 0 40 DFAB in-vitro CCc1nnc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)s1 6811405 UUDNOTAGQNXHFL-UHFFFAOYSA-N 315.354 2.768 0 40 DFAB O=C(c1ccc(N2C(=O)CCCC2=O)cc1)N1CCCCCC1 8471545 AZCRVEIPKKWSCN-UHFFFAOYSA-N 314.385 2.746 0 40 DFAB CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52931552 JCOAVLFCNVVORR-UHFFFAOYSA-N 301.308 2.890 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)c1cccc(S(C)(=O)=O)c1 33204469 WMEXDGFGAOQBFS-LLVKDONJSA-N 323.439 2.513 0 40 DFAB O=C(CSc1nnc(NC2CCCCC2)s1)NC1CC1 9482591 GRXHUXXPVMEPAU-UHFFFAOYSA-N 312.464 2.653 0 40 DFAB CN(C)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1 22394406 JJHDNJSCSOFWAL-UHFFFAOYSA-N 324.384 2.527 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2nnc3ccccn23)C1(C)C 53472418 DPOAVECCHGQNHO-CZUORRHYSA-N 312.417 2.626 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 23798680 GIEMHFLBVULBIK-UHFFFAOYSA-N 315.373 2.519 0 40 DFAB CC[C@@H]1CCCCN1CC(=O)NC(=O)Nc1ccc(OC)cc1 24164710 ZOAGFWAYVNHCEN-CQSZACIVSA-N 319.405 2.608 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccsc1C(=O)O)c1cccs1 37417067 RQDJPULNIXRGPW-SSDOTTSWSA-N 317.413 2.547 0 40 DFAB Cc1cc2nc([C@H](NCc3cccnc3)C(C)C)cc(O)n2n1 100217716 DDJXRFWDVOVHOP-QGZVFWFLSA-N 311.389 2.625 0 40 DFAB C/C=C(/C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 119223515 QWVBFXGTZVLOMN-PPFSTCQPSA-N 324.306 2.995 0 40 DFAB COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1N 57340490 SIVJADMFVLQPDQ-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cc1ccc(-c2nnc([C@@H](C)Sc3n[nH]c(N)n3)o2)cc1 8292565 ASWCEHSCDPVZJG-MRVPVSSYSA-N 302.363 2.599 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 8234736 UOUKGLQQWZQCFM-UKRRQHHQSA-N 312.413 2.755 0 40 DFAB COc1cc(CNC(=O)c2cc(=O)c3ccccc3[nH]2)ccc1C 56192341 VWJWDOVMQNKAGZ-UHFFFAOYSA-N 322.364 2.775 0 40 DFAB O[C@H](COC[C@H]1C[C@@H]2CC[C@@H]1C2)Cn1cnc2ccccc21 101244490 CIJJBJLKHGUXOZ-FPCVCCKLSA-N 300.402 2.850 0 40 DFAB CCN(C)c1ccc(C(=O)N[C@H](C)COCC(F)(F)F)cc1 58297682 AOXWWKXZBSHKOF-LLVKDONJSA-N 318.339 2.840 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)C1(n2cnnn2)CCCCC1 44921771 ZXJCRQNIAHUJLI-CQSZACIVSA-N 307.442 2.664 0 40 DFAB Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)n(C)n1 58434715 GJDCFJILBXBMSZ-UHFFFAOYSA-N 313.336 2.614 0 40 DFAB O=C(NCCc1ccccc1F)c1cc2ccccc2[nH]c1=O 12615999 OLXCUEKYFYLMHV-UHFFFAOYSA-N 310.328 2.640 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnccn1 11139530 YKTBPOMYIDOFRE-UHFFFAOYSA-N 316.748 2.509 0 40 DFAB O=C(Nc1ccc(I)cc1)c1ccccn1 3339167 UOOFBOBNWNMDQH-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 12742313 DKHZGLRXLNWMRP-UHFFFAOYSA-N 313.357 2.612 0 40 DFAB CCCCOc1ccc(CCNC(=O)c2cnc(C)cn2)cc1 48333219 BECAZUVNHUZJQP-UHFFFAOYSA-N 313.401 2.936 0 40 DFAB Cc1cc(NCc2ccc(CN3CCCC3)cc2)n2ncnc2n1 12811968 QDSVSGNWDAFZFY-UHFFFAOYSA-N 322.416 2.641 0 40 DFAB O=C(O)C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 6322563 HARNGYLYCXYTJS-UHFFFAOYSA-N 322.411 2.808 0 40 DFAB Cc1cnc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cn1 6348831 XQRLNVHHPKMNKI-UHFFFAOYSA-N 324.336 2.865 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cccnc2Cl)c1 6486597 GPLIXCNZSZBZCC-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB COc1ccc(OCCNC(=O)c2ccc(OC)cc2)cc1 14197805 RASWAIRHIFAGDP-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB Cc1cnn(CCc2nnc(S)n2-c2cccc(Cl)c2)c1 6756179 DQYXXCMSSGLSOS-UHFFFAOYSA-N 319.821 2.957 0 40 DFAB CC[S@](=O)c1ccccc1C(=O)NCc1ccccc1F 6847170 WEEMFIDEVZOQOQ-OAQYLSRUSA-N 305.374 2.883 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2F)c1C 5860459 LUPDYYFNGADHGG-UHFFFAOYSA-N 305.305 2.819 0 40 DFAB CN(C)C1(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCCC1 67200122 FRJHJAVRVAKXGF-HOTGVXAUSA-N 304.409 2.920 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 15376237 COKNDBWRXHMCDS-LJQANCHMSA-N 323.440 2.638 0 40 DFAB CCN(CC)C1CCN(c2ncc(Br)cn2)CC1 67368622 OCTAQFWTMPPMOB-UHFFFAOYSA-N 313.243 2.550 0 40 DFAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2[nH]c(=O)c(C(=O)O)cc21 20800669 JJZBARRMWQJOPG-SECBINFHSA-N 317.728 2.639 0 40 DFAB COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cn1 7283331 CZSZNPOKVUDRFV-UHFFFAOYSA-N 306.705 2.725 0 40 DFAB CC(C)c1cc(C(=O)O[C@@H](c2cnn(C)c2)C(F)(F)F)on1 70864718 MOCVFTFLVGUOEL-NSHDSACASA-N 317.267 2.992 0 40 DFAB CC(=O)Nc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1 7845180 SYQHUXFTDVYEKX-UHFFFAOYSA-N 316.430 2.520 0 40 DFAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(-n2cncn2)cc1 7814327 QEDMMINPIJIASO-GFCCVEGCSA-N 312.398 2.749 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(NC(N)=O)c1 84070130 PSCADMSKDINKRC-SNVBAGLBSA-N 316.386 2.692 0 40 DFAB C[C@@H]1NCCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94598791 OHQZDXVJYZMPDH-GZMMTYOYSA-N 304.287 2.715 0 40 DFAB COC(=O)c1sc2nc(-c3ccccc3)[nH]c(=O)c2c1C 19803904 AZCDBRGIWZEIMI-UHFFFAOYSA-N 300.339 2.747 0 40 DFAB CCOc1cccc2c1CC[C@@H]2NC(=O)N[C@H]1CCCC[C@@H]1O 71799669 FLDFEPPZKHWMCY-JYJNAYRXSA-N 318.417 2.675 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2cccc3c2OCCO3)no1 75573259 DPRQDPDYPSMSBT-CYBMUJFWSA-N 315.373 2.740 0 40 DFAB CCN(CC)c1ncc(CN[C@H](C)Cn2cc(C)cn2)s1 72267378 XALVFVZCMPASAE-CYBMUJFWSA-N 307.467 2.673 0 40 DFAB O=C(NCc1ncc[nH]1)C1(Cc2nc3ccccc3[nH]2)CCCC1 97115144 JYWKJCZYJBUUQO-UHFFFAOYSA-N 323.400 2.705 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnccn3)cc2)n1 97146209 BPNJMTRRGXDKED-UHFFFAOYSA-N 307.357 2.591 0 40 DFAB Cc1ccc([C@@H]2CSCCN2C(=O)CCc2cnn(C)c2)o1 76067523 ZKGNGOGAELNYAZ-AWEZNQCLSA-N 319.430 2.571 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)[C@H]1C[C@@H]1c1cccc(F)c1F 76083900 SIOCTDXFFABBSE-DYEKYZERSA-N 323.364 2.980 0 40 DFAB O=C(c1ccc(SC(F)F)cc1)N(CCO)CC1CC1 95431170 SWNVJUHYHJQOJC-UHFFFAOYSA-N 301.358 2.846 0 40 DFAB O=C(C1CCC1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 95408595 AYMYXRBNWGMPJM-UHFFFAOYSA-N 313.323 2.549 0 40 DFAB C[C@@H](NC(=O)c1cncc(O)c1)c1ccc(-c2cncnc2)cc1 95449861 MWIISYHZSXXQOF-GFCCVEGCSA-N 320.352 2.735 0 40 DFAB COc1ccc2c(c1)N(C(=O)c1oc(C)nc1C)C[C@@H](C)O2 74066822 SGEGQWOFPWEIJI-SECBINFHSA-N 302.330 2.728 0 40 DFAB CC(C)c1nc(CNC[C@@H]2CCO[C@@H]2c2cnn(C)c2)cs1 89893558 ADDHRXIGKLMTAH-WFASDCNBSA-N 320.462 2.867 0 40 DFAB Cc1cc(=O)oc2ccn(C[C@H]3OCCc4ccccc43)c(=O)c12 1547138272 DWQGCTHUVWKSAM-MRXNPFEDSA-N 323.348 2.577 0 40 DFAB biogenic CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 67172517 QWDHRUGIAJTLCL-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 409280756 KVPQKHBBBQJARH-FJJYHAOUSA-N 324.163 2.826 0 40 DFAB CNC(=O)c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1 75831614 WYIORYDHTLCIDV-SFHVURJKSA-N 316.445 2.970 0 40 DFAB CCn1c(C)nnc1SCc1nnc(-c2ccccc2)o1 75329936 PSCHQXDDPXYSMY-UHFFFAOYSA-N 301.375 2.949 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(N3C[C@H](C)O[C@@H](C)C3)c21 72238350 MINUVQTUBQVUST-RYUDHWBXSA-N 317.437 2.892 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC1 30756364 ZMBBYQYOKRRXKW-CYBMUJFWSA-N 310.825 2.709 0 40 DFAB OC1CCN(CCCOc2cccc(Br)c2)CC1 32231974 MFMRXTYYCAWUBD-UHFFFAOYSA-N 314.223 2.675 0 40 DFAB CC(=O)Nc1cccc(Oc2nccnc2[C@H]2CCCNC2)c1 72361065 DVFFCHZNKSTQNU-ZDUSSCGKSA-N 312.373 2.694 0 40 DFAB Cc1cc(NC(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)no1 184811582 ZJBRKXUINLJDPA-LLVKDONJSA-N 311.341 2.502 0 40 DFAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C=O)cn1 72214426 BYDXLNGDGBPWOZ-CYBMUJFWSA-N 305.378 2.746 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@H]1OC 78985612 TVTXPCBFYINILY-HZPDHXFCSA-N 306.358 2.551 0 40 DFAB CC[C@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 189188308 OGDSFFLPYOEPMO-ROUUACIJSA-N 316.445 2.509 0 40 DFAB CCCc1noc([C@H]2CCCCN2C(=O)c2snnc2C)n1 46087510 JLWMDPKPVQBFJY-SNVBAGLBSA-N 321.406 2.549 0 40 DFAB CCN(C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 48155894 ILKXJZRCTCLYHP-UHFFFAOYSA-N 320.396 2.951 0 40 DFAB CCc1nn(C)c(OC)c1CN[C@H]1CCCc2nc(C)sc21 89212441 PHHZEMUMRVZOGA-ZDUSSCGKSA-N 320.462 2.923 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cccc(CO)c2)C1 228910299 OOOVGMGSSOKZBJ-CQSZACIVSA-N 306.406 2.672 0 40 DFAB Cc1ccoc1C(=O)NCCCN[C@@H]1CC(C)(C)OC1(C)C 90061289 LPAKVKWZKOXGIL-CYBMUJFWSA-N 308.422 2.644 0 40 DFAB c1csc(-c2nnc(CN3CCS[C@H]4COCC[C@@H]43)o2)c1 96480681 LPTYMXIFHSQBMB-JQWIXIFHSA-N 323.443 2.504 0 40 DFAB c1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)nc1 97953501 VDHBOIOHGUTWSB-WDYCEAGBSA-N 324.428 2.568 0 40 DFAB O=C(N1C[C@H]2CC[C@@H]1C2)C1(c2cccc(F)c2)CCOCC1 96402357 JUMBUXSNHNCTRW-XJKSGUPXSA-N 303.377 2.885 0 40 DFAB COCc1nc2n(n1)C[C@@H](NC1CCC(=C3CCC3)CC1)CC2 583651050 FYAJSXITVUDHBN-INIZCTEOSA-N 316.449 2.752 0 40 DFAB CCOCc1cnc2n1CCN(Cc1scnc1C)[C@H]2C 96109689 CLEAQOCBYJPKDO-LBPRGKRZSA-N 306.435 2.761 0 40 DFAB COCCN(C)C(=O)c1ccc2ccc(N(C)CC3CC3)n2c1 96146151 BLMAUKHZMRBHPP-UHFFFAOYSA-N 315.417 2.504 0 40 DFAB Clc1cnc(NC[C@H]2CCCN(Cc3cccnc3)C2)nc1 97212828 WDEQYRNDOIVNHZ-CQSZACIVSA-N 317.824 2.849 0 40 DFAB CCN(CC)c1ncc(CN2CC[C@H]3OCCC[C@@H]3C2)s1 93504869 RHPAYJOOPHGBEA-UKRRQHHQSA-N 309.479 2.990 0 40 DFAB O[C@H](CN1CCO[C@H](c2nccs2)C1)c1ccc(Cl)cc1 97199865 GVHMJVWZIPBNBI-KGLIPLIRSA-N 324.833 2.903 0 40 DFAB O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H]1c1ccsc1 245343835 VXKUUEODTULGTG-KGLIPLIRSA-N 315.460 2.784 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c1C 256048416 SUULTHMAKQPPRQ-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB O=C(Cc1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257266017 MBGDAVUMJJPZRL-CQSZACIVSA-N 301.365 2.573 0 40 DFAB CCc1nccn1CCC(=O)N1CCCC[C@@H]1c1[nH]ncc1C 257335793 YLXOGWVOWRSNKE-CQSZACIVSA-N 315.421 2.621 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257242998 IFDDXECPNNISMC-INIZCTEOSA-N 323.400 2.891 0 40 DFAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(C(=O)O)s1 262399142 MABFAAYOIULVFE-NSHDSACASA-N 317.366 2.927 0 40 DFAB O=C(c1cc(-n2cccn2)ccn1)N1CCCc2ccccc21 90608789 VYFVQVKIRMJHBH-UHFFFAOYSA-N 304.353 2.860 0 40 DFAB O=C1NCCN1C(=O)N(CCc1cccs1)Cc1ccco1 96120277 BAWHINBZMNSHFV-UHFFFAOYSA-N 319.386 2.531 0 40 DFAB CCc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)cc1 47364858 NKJDSAIKJDXJHT-UHFFFAOYSA-N 318.394 2.914 0 40 DFAB CCOc1cc(C)ccc1NC(=O)NCCCn1ccnc1 47763868 ROXOZEJUMLKBJG-UHFFFAOYSA-N 302.378 2.802 0 40 DFAB C[C@H](CCNC(=O)CCCNC(=O)C1CC1)c1ccccc1 58329613 SOLBNZUVZGNXSO-CQSZACIVSA-N 302.418 2.603 0 40 DFAB COc1cccc(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1 69704454 WHNJRZIIWHAPLL-ZDUSSCGKSA-N 304.350 2.905 0 40 DFAB CCc1noc(CN2CC[C@H](c3cc(OC)cc(OC)c3)C2)n1 83402969 QXYCRGCNJZVIPS-LBPRGKRZSA-N 317.389 2.639 0 40 DFAB CCCOc1cc(CNC(=O)Cc2ccc(OC)cc2)ccn1 89960281 RVKSLIZPAKEFPN-UHFFFAOYSA-N 314.385 2.738 0 40 DFAB Cc1cccc2sc(N3CCN(c4ncccn4)CC3)nc12 585204517 VHCXLHPFIVIILE-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB O=C(NCc1ccc(Cl)cc1)N1CC(OCC(F)(F)F)C1 585365692 RCDODWSGIDKORA-UHFFFAOYSA-N 322.714 2.813 0 40 DFAB Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 90201254 XSSBQKHUKHJLBH-HNNXBMFYSA-N 305.422 2.879 0 40 DFAB O=C(NCC1(OCCO)CCCC1)c1c(F)cccc1Cl 888107014 IZNKOXVYOULHPT-UHFFFAOYSA-N 315.772 2.531 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2c(c1)CCC2 13095929 HWMCTUIQMXXUJU-UHFFFAOYSA-N 309.325 2.566 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 14257610 VNLMFUCYLTYBML-UHFFFAOYSA-N 316.382 2.836 0 40 DFAB CCn1nc(C)c([C@@H](C)NC(=O)[C@H](C)n2cc(Cl)cn2)c1C 19523723 MJCLFOBMZRMDOD-SKDRFNHKSA-N 323.828 2.808 0 40 DFAB OC1=N[C@H](c2cnn(-c3ccc(F)cc3)c2)N2CCCC[C@@H]12 78759219 MAFULVJRLNNVPN-GJZGRUSLSA-N 300.337 2.835 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1ccc(C)cc1C 421181 YGUDUBHBXWOICA-UHFFFAOYSA-N 304.419 2.954 0 40 DFAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1 9549357 AYLOGWORUXLEPQ-SNVBAGLBSA-N 317.776 2.878 0 40 DFAB CCc1ncnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)c1F 2087130950 NSPYRQSJXBKNEX-GFCCVEGCSA-N 322.428 2.651 0 40 DFAB COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)O1 99249 SFJJENAUZSADPI-GXDHUFHOSA-N 323.304 2.738 0 40 DFAB O=C1CCC(=O)N1Cc1csc(Nc2ccc(F)cc2F)n1 96124533 SCOAQPGRHLPKOI-UHFFFAOYSA-N 323.324 2.814 0 40 DFAB CC[C@@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 40007759 CKSUTLPMWXPHGQ-QZTJIDSGSA-N 318.461 2.653 0 40 DFAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1NC[C@@H](C)O 90663 MCOFYRKJDZUZKA-GFCCVEGCSA-N 302.374 2.821 0 40 DFAB CCc1cc2c(=O)n(C[C@@H](O)c3ccccc3)cnc2s1 40485488 HCUDPCIZLLFTGL-CQSZACIVSA-N 300.383 2.754 0 40 DFAB CCCc1nc(C)c(C(=O)NCc2cccnc2OC)s1 40525061 JPAUJIDIRGDJFT-UHFFFAOYSA-N 305.403 2.738 0 40 DFAB Cc1nc(-c2cc3ccc(OCC(=O)O)cc3oc2=O)cs1 20719329 DZQBUUGMTXWRSI-UHFFFAOYSA-N 317.322 2.688 0 40 DFAB O=C(Nc1nccs1)c1c[nH]c2cc(Cl)ccc2c1=O 20719383 CRWHDVMXBYUYKR-UHFFFAOYSA-N 305.746 2.890 0 40 DFAB CCN1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 69452921 XIIACTHBJJFGOG-UHFFFAOYSA-N 311.385 2.652 0 40 DFAB Cc1ccc(NC(=O)[C@H]2COCCO2)c(SC(F)(F)F)c1 69414186 DFPKZDYNRNEVRK-SNVBAGLBSA-N 321.320 2.961 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccccc1F)c1ccccc1 7755312 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CC(C)(C)CC(=O)N1CCN(c2nc3ccccc3o2)CC1 26718268 VGBSNXDVZGSEKK-UHFFFAOYSA-N 301.390 2.913 0 40 DFAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccnc1 58267132 VPUAPIBAUVQCGJ-CYBMUJFWSA-N 315.804 2.991 0 40 DFAB C[C@]1(C(=O)NCCOc2cccc(F)c2)CC1(Cl)Cl 27723182 QWMGYMFRDMMYBM-GFCCVEGCSA-N 306.164 2.905 0 40 DFAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 12605915 HAZHVUNDUJXOTD-GFCCVEGCSA-N 324.384 2.912 0 40 DFAB COCCn1cc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cn1 44973025 CUEUSHJESICTPZ-KBPBESRZSA-N 306.410 2.574 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)CCOc1ccc(Cl)cc1 44939811 UPHYKTJEFVXTIY-GFCCVEGCSA-N 307.781 2.510 0 40 DFAB C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccnc1 44949468 SKHBYVAZMCPUSI-GXTWGEPZSA-N 318.446 2.806 0 40 DFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2=O)cc1 20495521 WNUFBUUFXVZMCX-USXIJHARSA-N 312.413 2.727 0 40 DFAB CC(=O)c1cccc(NC(=O)NC[C@@H](O)c2cccc(F)c2)c1 58331540 CGVUQCBUFYOPKI-MRXNPFEDSA-N 316.332 2.883 0 40 DFAB CN(CCCNS(=O)(=O)c1ccccc1)C1CCCCC1 28049764 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CC[C@H](C)[C@@H](C)NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 75612766 PNWFNDPYKBMMKY-XHSDSOJGSA-N 318.465 2.904 0 40 DFAB Cc1[nH]c(C(=O)NCCc2ccco2)c(C)c1C(=O)OC(C)C 8762586 GSMIWIOLERQGKZ-UHFFFAOYSA-N 318.373 2.762 0 40 DFAB COc1ccccc1NC(=O)C[C@H](NC(C)=O)c1cccs1 8751032 JKMXTYHGSGOSEF-ZDUSSCGKSA-N 318.398 2.963 0 40 DFAB CCNc1ccnc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 65372198 NKYQJRDPACLGGV-AWEZNQCLSA-N 312.417 2.969 0 40 DFAB COC(=O)c1ccc2c(NCc3ccccc3CO)ncnc2c1 65548034 OAGWJEVMYGXABD-UHFFFAOYSA-N 323.352 2.521 0 40 DFAB O=C1CN(C(=O)CSc2ccccc2F)c2ccccc2N1 6402141 JCWMCYYKLVMKPP-UHFFFAOYSA-N 316.357 2.903 0 40 DFAB CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 14171174 ASFPNTWKVGCKKH-UHFFFAOYSA-N 312.435 2.682 0 40 DFAB Cc1cc(C)cc(C2=N/C(=C\c3c(C)nn(C)c3C)C(=O)O2)c1 14234244 OXSHYWXOYCMSPH-SXGWCWSVSA-N 309.369 2.998 0 40 DFAB O=C(CNC(=O)c1cccs1)Nc1ccc2c(c1)CCC2 6510291 PJOWCLTYEXIJMI-UHFFFAOYSA-N 300.383 2.605 0 40 DFAB COCCNc1nc2sc3c(c2c2ncnn12)[C@@H](C)CCC3 5576931 ZGCVULJABGYMTL-VIFPVBQESA-N 317.418 2.837 0 40 DFAB CCC(CC)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731844 JBVNAWAOZXLNRD-NSHDSACASA-N 308.809 2.998 0 40 DFAB CCC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731842 RXEGXXKZXIVDAE-RYUDHWBXSA-N 308.809 2.998 0 40 DFAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1c(C)cc(C)[nH]c1=O 92559008 KBSJNXCFXGOQAC-YUELXQCFSA-N 320.433 2.561 0 40 DFAB Cc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1F 5786294 HHJKIVXCHDHIDG-UHFFFAOYSA-N 307.346 2.920 0 40 DFAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 5895904 GNSMIUWVCPLYOR-UHFFFAOYSA-N 314.366 2.820 0 40 DFAB COc1cccc(CNC(=O)CCOc2ccccc2OC)c1 5937410 UXRWGXXTEOGIQT-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB O=C(CNC(=O)c1cccc(Cl)c1)NCC1CCCCC1 8984061 RTMWFUNEXSLCKE-UHFFFAOYSA-N 308.809 2.766 0 40 DFAB NC(=O)c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 76068833 CFEGCSKCQBURBK-HNNXBMFYSA-N 323.396 2.882 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@H](C)c2cc3ccccc3o2)C1 90410814 VSGKLYJEPBSIMP-OCCSQVGLSA-N 301.390 2.887 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccnc2)c1C 7548761 KGRSRFWYMQPJNG-LBPRGKRZSA-N 314.341 2.657 0 40 DFAB Cc1c(C)c(C)c(C(=O)OCCN2CCOC2=O)c(C)c1C 29280649 LTYAHFPYDLDGJR-UHFFFAOYSA-N 305.374 2.838 0 40 DFAB CS(=O)(=O)Cc1cccc(C(=O)OCc2ccccc2)c1 7721096 LIHFMPJJRFJYMW-UHFFFAOYSA-N 304.367 2.588 0 40 DFAB O=C(c1ccc2ncsc2c1)N1CCN(c2ccccn2)CC1 16637875 NJCZRPIOUHISQQ-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB O=C(/C=C/c1cccnc1)N1CCC(Nc2cccnc2)CC1 70007566 LRMAEJLAYAXRDI-AATRIKPKSA-N 308.385 2.593 0 40 DFAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 8303542 VWEAELRENPZJJL-UHFFFAOYSA-N 314.360 2.774 0 40 DFAB C/C=C(\C)C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 179372902 YBSPCSZAENUYBX-NQADCFBISA-N 305.374 2.950 0 40 DFAB CSC1(CNC(=O)c2ccc3ccccc3n2)CCOCC1 96425599 CELGWIAKLOVTLJ-UHFFFAOYSA-N 316.426 2.877 0 40 DFAB c1cc(CN[C@H]2CCN3CCCC[C@H]23)c2c(c1)OCCCO2 78974148 WLTKDZQSBBAROA-JKSUJKDBSA-N 302.418 2.564 0 40 DFAB O=C(c1cc(-c2ccccc2)no1)N1CCN2CCCC[C@H]2C1 71839755 FQLXHFYSRFYHIH-HNNXBMFYSA-N 311.385 2.652 0 40 DFAB CCN(C[C@H]1CCN(C(=O)c2ccoc2)C1)CC(F)(F)F 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COCCOc1ccc(CNc2cccc(-n3cnnc3)c2)cc1 89414778 BLYOASZFKGSDAG-UHFFFAOYSA-N 324.384 2.905 0 40 DFAB COC(=O)[C@H](C)c1c(C)nn(Cc2sc(C)nc2C)c1C 89559263 MCSFTQHJFGCYQD-MRVPVSSYSA-N 307.419 2.898 0 40 DFAB O=C(Nc1ccccc1)[C@@H](NCCCO)c1ccc(Cl)cc1 408734057 GVENBGDNTMEGQK-INIZCTEOSA-N 318.804 2.992 0 40 DFAB C[C@H]1OCC[C@@H]1c1nc(Cc2ccc(C(F)(F)F)nc2)no1 528249511 CZRJACPWEMAFEU-SCZZXKLOSA-N 313.279 2.967 0 40 DFAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1cc(F)cc(F)c1 38671072 MPEBBZMBDXWLAI-SECBINFHSA-N 305.284 2.746 0 40 DFAB Cc1nc(Nc2ccccc2)cc(N2CCC[C@H](C(=O)O)C2)n1 217362495 RSGRFVGTNKETMW-ZDUSSCGKSA-N 312.373 2.830 0 40 DFAB COC(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70931368 NDVLAUQRBUKIPK-UHFFFAOYSA-N 305.403 2.869 0 40 DFAB CCCN1CCN[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72352736 DQJPYKLMBUOUCX-GOSISDBHSA-N 309.413 2.502 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@H]1c1ccc(Cl)cc1 218489313 WVMDEDLCYIQWFS-BZUAXINKSA-N 322.813 2.888 0 40 DFAB O=S1(=O)CCCC[C@@H]1CNc1cncc(-c2cccs2)n1 574222180 QYJVKBFEFUWVPC-LLVKDONJSA-N 323.443 2.584 0 40 DFAB Cc1ccc(OCC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1C 226625110 XLVAXEJEYWVORY-ULQDDVLXSA-N 307.434 2.542 0 40 DFAB C[C@@H](Cc1ccc(NC(=O)[C@H](C)C2CCOCC2)cc1)C(=O)O 192917898 WUTRTIGYEIILCG-QWHCGFSZSA-N 319.401 2.951 0 40 DFAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2CCCC2)n1 225893280 GTPNELJMQFZBBZ-UHFFFAOYSA-N 313.858 2.673 0 40 DFAB CCN(C)c1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CO 81629275 ZYXAEBFDFKOWML-KGLIPLIRSA-N 305.422 2.815 0 40 DFAB CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1OCC(F)F 96475070 FBOXZHVIOLKQNL-LLVKDONJSA-N 314.332 2.831 0 40 DFAB COC(=O)NCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 96423458 GHCVAYLPCJIDNY-YCPHGPKFSA-N 318.417 2.916 0 40 DFAB CC[C@H](N[C@H](CC)C(=O)N1CCOCC1)c1ccc(F)cc1 96479168 QHBQOKDTIMLPLF-JKSUJKDBSA-N 308.397 2.504 0 40 DFAB C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@](C)(O)C(=O)O 582850679 BPQRAXITLPNTIX-SDBXPKJASA-N 306.189 2.822 0 40 DFAB O=C(c1ccsc1)N1CCC2(CCC(=O)N2CC2CC2)CC1 96228123 ATEFDRHJAQLNQG-UHFFFAOYSA-N 318.442 2.755 0 40 DFAB CC(=O)c1cccc(OC[C@@H](O)COc2cccc(F)c2F)c1 95439068 UHWWHENFFRXAFS-CYBMUJFWSA-N 322.307 2.986 0 40 DFAB CC[C@H]1CCCCCN1C(=O)CCc1nc([C@H](C)OC)no1 96454375 LVIJCJYYWRGFIS-STQMWFEESA-N 309.410 2.891 0 40 DFAB CN(C)C(=O)CC1CCC2(CC1)CCN(c1ncccn1)CC2 96159364 NTONFUGQWKZFNO-UHFFFAOYSA-N 316.449 2.732 0 40 DFAB CCOc1ccccc1C(=O)NC[C@H](O)c1ccccc1F 96445843 REABPLZPEIIMTH-HNNXBMFYSA-N 303.333 2.688 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1cccnc1 96485882 RSGZLDVRKUISCI-ZDUSSCGKSA-N 309.728 2.729 0 40 DFAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)CC3CC3)C2)CC1=O 96090362 ZEISFGPEKYBCPS-IBGZPJMESA-N 312.413 2.751 0 40 DFAB O=C(O)C1CCN(C(=O)CCc2ccc(Cl)s2)CC1 96402402 ILGIDYRDVPERLR-UHFFFAOYSA-N 301.795 2.657 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCN(C)Cc3ccccc32)s1 95350169 GXONRWMCPMFZFO-UHFFFAOYSA-N 322.455 2.697 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccoc1C)C2 96056826 LKEMQJNJEFRXHR-DOTOQJQBSA-N 307.390 2.636 0 40 DFAB CCOC[C@H]1CCC[C@]12CN(Cc1c(C)noc1C)CCO2 96159876 CGUPIKVHZQUEGQ-WBVHZDCISA-N 308.422 2.699 0 40 DFAB CC(C)(C)c1ncc(CN2CCO[C@H]([C@H]3CCCO3)C2)s1 245339135 QSZTWOLBBDJQKX-KGLIPLIRSA-N 310.463 2.820 0 40 DFAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC1 253408331 XLTAJTCFMXOAAQ-VIFPVBQESA-N 306.749 2.894 0 40 DFAB biogenic,in-vitro Cc1cc(N2CCC[C@H]2c2cn3cccc3c(N(C)C)n2)ncn1 257223563 DXYHSLLPYUTIFW-HNNXBMFYSA-N 322.416 2.840 0 40 DFAB COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C 255981086 JKGIMVBQKSRTGX-UHFFFAOYSA-N 310.463 2.922 0 40 DFAB C[C@H]1CSc2ccccc2CN1C(=O)[C@H]1CCCCC(=O)N1 252503020 UXLYMXMQVAMGBI-GXTWGEPZSA-N 318.442 2.568 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)Cc2ccsc2)nc(C)n1 257207487 BHZJVLBIVACYIL-AWEZNQCLSA-N 316.430 2.794 0 40 DFAB Cc1cc(NC(=O)Nc2cnn(CCF)c2)nn1[C@H](C)C1CC1 626494574 LVOXIAQLPDIZCD-LLVKDONJSA-N 320.372 2.973 0 40 DFAB C[C@H]1CCCN(c2cc(C(=O)N[C@H]3CCOC3(C)C)ccn2)C1 295905663 NRZJPDRMSXJXPN-ZFWWWQNUSA-N 317.433 2.615 0 40 DFAB C[C@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccccc2F)C1 56502915 LWRLNZCDKICOAT-UONOGXRCSA-N 307.413 2.745 0 40 DFAB COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)C2CC2)n1 80559426 DANBQWOUGHCQMW-SNVBAGLBSA-N 316.361 2.610 0 40 DFAB Cc1nn(CCO[C@H]2CCCCO2)c(C)c1Br 193386225 QDBPPNVFJBEVOZ-NSHDSACASA-N 303.200 2.806 0 40 DFAB O[C@@H]1[C@@H](NCc2ccncc2)CCC[C@H]1Oc1ccc(F)cc1 1615133227 WASPPLMWKSJNJL-RCCFBDPRSA-N 316.376 2.671 0 40 DFAB CCn1cc([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c(C)n1 5658951 JKTBTDPFGHMFMG-QGZVFWFLSA-N 310.401 2.936 0 40 DFAB S=C(NCc1ccco1)Nc1ccc(N2CCCC2)nc1 11102621 PLDSRKKOROUVME-UHFFFAOYSA-N 302.403 2.761 0 40 DFAB CNC(=O)CSc1nc2cccnc2n1C1CCCCC1 12481137 FBGBCOFRPGARSP-UHFFFAOYSA-N 304.419 2.775 0 40 DFAB O=C(NC[C@H]1CCCO1)c1ccc(COc2ccccc2)o1 12876808 RGXYQDYNXIEVTP-CQSZACIVSA-N 301.342 2.767 0 40 DFAB COc1ccc(C2CC(=O)N(c3ncccc3C)C(=O)C2)cc1 13207960 HLCVPIKBZOJXBK-UHFFFAOYSA-N 310.353 2.836 0 40 DFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCCCC1 1328054 FKHVCLOMLBFUJP-UHFFFAOYSA-N 313.401 2.695 0 40 DFAB NC(=O)c1ccc(NC(=O)CSCc2cccc(F)c2)cc1 7145900 UBCXWZCOKAGPPJ-UHFFFAOYSA-N 318.373 2.797 0 40 DFAB CN(C(=O)Nc1c(F)cccc1F)C1CN(c2ccccn2)C1 1888870201 YPOGSRJHGVFFOT-UHFFFAOYSA-N 318.327 2.712 0 40 DFAB Cc1cccc2sc(N3CCN(c4cnsn4)CC3)nc12 1888904224 ARAZGLDUORZXQC-UHFFFAOYSA-N 317.443 2.783 0 40 DFAB Fc1cccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)c1 1888906397 IDWISMLKBVUGKA-ZDUSSCGKSA-N 313.336 2.888 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 14094910 VMPXTRRATQTNEO-OAHLLOKOSA-N 301.371 2.517 0 40 DFAB CCc1cccc2sc(=NCCCN3CCCC3=O)[nH]c12 1849668438 LYUHIWZTTHBMRO-UHFFFAOYSA-N 303.431 2.705 0 40 DFAB C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)C[C@@H](C)O1 12550691 YYKGRSUPRGGBOR-AOOOYVTPSA-N 300.761 2.527 0 40 DFAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2ccccn2)C1 2037905583 JUCPMDPOOFMKKL-SFHVURJKSA-N 316.376 2.627 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037911999 BAMICJUAMAFOME-GOSISDBHSA-N 323.408 2.994 0 40 DFAB C[C@H](C(=O)N[C@@H](c1cccs1)C1CCOCC1)n1cccn1 1565523702 XRVGGCWOABBETR-IUODEOHRSA-N 319.430 2.790 0 40 DFAB CCOC(=O)c1c(NC(C)=O)sc2c(OC(C)=O)cccc12 365804 DOAIKKOAESVIAQ-UHFFFAOYSA-N 321.354 2.962 0 40 DFAB COc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4851984 QDWMDYXUUYOKHC-UHFFFAOYSA-N 324.336 2.722 0 40 DFAB Cc1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)[nH]n1 15109824 DDNJPXXVGJCXGT-UHFFFAOYSA-N 300.322 2.690 0 40 DFAB Cc1c(Cl)cccc1NCCn1nc2ccccn2c1=O 30588285 USXUBHAEHANLMT-UHFFFAOYSA-N 302.765 2.570 0 40 DFAB O=C(Cc1csc(Cc2ccccn2)n1)NC1CCCC1 40515684 LDCSELQXQVVKRG-UHFFFAOYSA-N 301.415 2.730 0 40 DFAB O=C(Nc1cccc2nsnc12)c1ccc2nsnc2c1 199290 WECZKGKONQQGNU-UHFFFAOYSA-N 313.367 2.948 0 40 DFAB CCc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)o1 71858714 NULAPRVDBVYDTO-UHFFFAOYSA-N 314.320 2.696 0 40 DFAB CC(C)CCn1c(SCC(=O)O)nc2ccccc2c1=O 2656611 FUBPREKPQGZEJY-UHFFFAOYSA-N 306.387 2.619 0 40 DFAB O=S(=O)(Nc1nccs1)c1ccccc1C(F)(F)F 60486727 WOEJZYFRHIWYOJ-UHFFFAOYSA-N 308.306 2.963 0 40 DFAB CN1C(=O)C(C)(C)[C@@]2(SC(C)(C)C2(C)C)N(C)C1=S 1624216 LKPYZJWBTVTLCQ-AWEZNQCLSA-N 300.493 2.949 0 40 DFAB CC(C)(C)c1nc(CN2CCC[C@@H](Cn3cncn3)C2)cs1 69848461 OVJAMNPSXNIIKV-CYBMUJFWSA-N 319.478 2.944 0 40 DFAB CCOC(=O)C1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(C)cc1 3073409 ZAHZIYPFQNRYTI-MRXNPFEDSA-N 324.380 2.835 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cccc(OC(F)F)c1)c1ccco1 6859571 FRPXDHHBJVFJST-ZDUSSCGKSA-N 324.327 2.914 0 40 DFAB O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1 52723710 ARVYCDPHIDHTMS-UHFFFAOYSA-N 322.412 2.604 0 40 DFAB CCn1cc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)c(C)n1 2792313 FNHPJRLTMJUFDJ-ZDUSSCGKSA-N 307.419 2.559 0 40 DFAB O=C(c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1 8653548 LHJMXYKCYVXKAC-AWEZNQCLSA-N 314.728 2.905 0 40 DFAB O=C(NCc1ccncc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12322061 UCJLCPIXGLQEBE-UHFFFAOYSA-N 320.274 2.907 0 40 DFAB C[C@@H](NC(=O)N1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 54090788 OCKGSCISAISWFR-CYBMUJFWSA-N 324.446 2.737 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)NCc1csc(C2CC2)n1 69935935 JROAENWLBRWOJC-VIFPVBQESA-N 319.434 2.623 0 40 DFAB COc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1 23424251 XHRCQBSCQLFVIV-UHFFFAOYSA-N 314.366 2.941 0 40 DFAB Cc1cc(C)c2nc(NC(=O)CCn3cncn3)sc2c1 23755130 MWEPJRZOHBZNFD-UHFFFAOYSA-N 301.375 2.533 0 40 DFAB Cc1ccc(SC[C@@H](O)CS(=O)(=O)c2ccccc2)cc1 1385784 HCZZZDQVRCKSLO-CQSZACIVSA-N 322.451 2.922 0 40 DFAB COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)c(=O)oc1C 1385274 AZKNKCMHSYDKCY-UHFFFAOYSA-N 321.716 2.641 0 40 DFAB O=C(CCc1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 25450225 PFGBEEPCZBHSLH-OAHLLOKOSA-N 315.344 2.715 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 25969842 MTANXWKGEMQTHK-UHFFFAOYSA-N 306.362 2.506 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CC[C@H](CCO)C1 76091994 MSKPKWBNESPSJI-LLVKDONJSA-N 324.450 2.822 0 40 DFAB CCN1CCC[C@H](CNC(=O)NC[C@H](C)c2nc(C)cs2)C1 108393512 NZHWTHDFAIRJHE-GXTWGEPZSA-N 324.494 2.586 0 40 DFAB Cc1nn(C)cc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 76513006 HFUAJKKPGWQGQZ-AWEZNQCLSA-N 301.365 2.572 0 40 DFAB C[S@@](=O)Cc1cccc(C(=O)NCCc2ccc(F)cc2)c1 44890878 XVIRIHVBZZOKOC-QFIPXVFZSA-N 319.401 2.677 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccc(OC)cc1 3356911 HOMHZRXKFFIZCA-GDBMZVCRSA-N 305.374 2.860 0 40 DFAB CC(=O)OCc1cnn(Cc2ccc(Br)cc2)c1 83815615 FWGAWAVDEAJBLS-UHFFFAOYSA-N 309.163 2.757 0 40 DFAB CC(C)n1ccc2c1CNCc1cn(Cc3ccccn3)nc1-2 306124383 BNXNQEDBULHXAF-UHFFFAOYSA-N 307.401 2.979 0 40 DFAB Cc1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)n(C)n1 36360756 ZQOOSPWJNLGZJK-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB Cc1nc(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)cs1 45325612 FIDHDMFAGRSCRG-BXUZGUMPSA-N 311.451 2.846 0 40 DFAB COc1ccc2ccccc2c1CN[C@H](C)CN1CCCC1=O 48382330 FCIYHCIQECEDEW-CQSZACIVSA-N 312.413 2.949 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)n2ccnc2)cc1Br 71900303 VPSHOKOOIDWHEM-SECBINFHSA-N 324.178 2.854 0 40 DFAB COCc1nc(C(=O)N2CCC[C@H]2c2cc(C)no2)cs1 65529461 GDAPAHXIQVQLCY-NSHDSACASA-N 307.375 2.563 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)Cc2ccccc2F)c1 65592449 DSRNAYJWROWXRR-UHFFFAOYSA-N 323.389 2.796 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1 6788535 XYBFUWKBQOPFHB-OUCADQQQSA-N 312.291 2.568 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccnc2Cl)[C@@H]1C 5838105 PMIUXZUZSJTYLS-NQBHXWOUSA-N 324.808 2.833 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2 6919724 NGRBQOPLJKFPQC-UHFFFAOYSA-N 317.366 2.705 0 40 DFAB COCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001329 QYDBMIVRRXMAGJ-CQSZACIVSA-N 315.373 2.827 0 40 DFAB C[C@H](Sc1nncs1)C(=O)NCCc1ccc(F)cc1 7194836 BHKHLIPMYQGIKA-VIFPVBQESA-N 311.407 2.517 0 40 DFAB CC(=O)NCc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 9366753 BUGZPYXZTRRMNS-UHFFFAOYSA-N 316.788 2.906 0 40 DFAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 7749422 MQGBBESPHLYJRU-GFCCVEGCSA-N 316.332 2.714 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)NCc1ccccc1F 8069999 RIAPEHVKAMNZIF-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB O=S(=O)(Cc1cccc(F)c1)N1CCC(n2cccc2)CC1 68905874 GITJYULKWMDQAJ-UHFFFAOYSA-N 322.405 2.794 0 40 DFAB CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(OC)cc1 9477096 VPLAXIHIPGEHFN-AWEZNQCLSA-N 310.357 2.848 0 40 DFAB C[C@@H](C(=O)N1CCCC1)N1CCC[C@H](CN2CCCCCC2)C1 69590578 JPGVKJDCIDRRAT-ZWKOTPCHSA-N 321.509 2.585 0 40 DFAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cnc2ccccc2n1 69601316 DGSDKDBXTYDCQD-SJORKVTESA-N 324.428 3.000 0 40 DFAB O[C@@H](CNc1ncnc2[nH]ncc12)c1cccc(C(F)(F)F)c1 69775071 SIVKZKOHIIZFJY-NSHDSACASA-N 323.278 2.517 0 40 DFAB Cc1ncn(C[C@H](O)c2ccc(C(F)(F)F)cc2)c(=O)c1C 97082284 RWGRDMMZWIEUCW-ZDUSSCGKSA-N 312.291 2.613 0 40 DFAB NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 97033780 FXSJRWXASYVFFL-CYBMUJFWSA-N 321.852 2.638 0 40 DFAB C[C@@H](NC(=O)NC1CCN(C)CC1)c1nc(C(C)(C)C)cs1 72270037 PYPGHSLTDTYYIZ-LLVKDONJSA-N 324.494 2.895 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 72282129 KWOWCOCNLPAJHP-GXTWGEPZSA-N 308.447 2.981 0 40 DFAB Cc1cccc(C(=O)NCC(=O)c2ccco2)c1Br 97107436 AKERIVALVDXLBA-UHFFFAOYSA-N 322.158 2.963 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3ccc(C)cc32)C1 95423889 NVNHSSHJHOGOMM-ZBFHGGJFSA-N 302.418 2.809 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CC23CCOCC3)cc1 95407327 PSMDBMOMTVNQEF-WMLDXEAASA-N 317.429 2.901 0 40 DFAB Cc1c(Cl)cnn1C[C@H](O)COc1cccc2[nH]ccc12 95974777 ZGCORDATWXOMGA-NSHDSACASA-N 305.765 2.766 0 40 DFAB CC(C)(C(=O)Nc1nc2ccc(F)cn2n1)c1cccs1 95964655 NXQWTRUFELHRKG-UHFFFAOYSA-N 304.350 2.846 0 40 DFAB CCSc1cccc(C(=O)N2CCN([C@H](C)COC)CC2)c1 95978722 UQGSVJGPHPHQJA-CQSZACIVSA-N 322.474 2.591 0 40 DFAB CCn1cc(CC(=O)N2CCC[C@@H]([C@H](C)O)C2)c2ccccc21 89305632 ZDSOGXNKIQFAIE-LSDHHAIUSA-N 314.429 2.823 0 40 DFAB O=C(N[C@@H]1CCc2c(F)cccc21)N1CCOC[C@H]1C1CC1 89891970 QIMYSYHECRRAFT-CVEARBPZSA-N 304.365 2.633 0 40 DFAB O=C(N/C(=C/c1ccc(F)cc1)P(=O)(O)O)c1ccccc1 26963299 ULUMJFDLQZTQRZ-UVTDQMKNSA-N 321.244 2.732 0 40 DFAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 78486082 DNESVPMGVMIROH-GOSISDBHSA-N 315.438 2.876 0 40 DFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccsc1 70636344 YGOUEMNCTIBISR-CYBMUJFWSA-N 315.316 2.928 0 40 DFAB Cc1cc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)ccn1 180609083 GZUOCLRTRHPVGS-QGZVFWFLSA-N 311.385 2.865 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646129 SZZVDXJNJNBOFO-ZDUSSCGKSA-N 314.360 2.993 0 40 DFAB O=C(Cc1ccsc1)N1CC[C@@](C(=O)O)(c2ccccc2)C1 570573517 RIMAGKXYZIDCAF-KRWDZBQOSA-N 315.394 2.546 0 40 DFAB COc1ccccc1C[C@@H](Oc1ccccc1OC)C(=O)O 225097160 DHJDRWZACFKFOY-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB COc1ccnc(CN2CC[C@H](Nc3ccccc3)C2)c1OC 190845337 KLFZNVYBOKDJGK-HNNXBMFYSA-N 313.401 2.785 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@@H](C)c2cnn(C)c2)cc1C 89467204 MRLPJAFVNARUQP-NSHDSACASA-N 300.362 2.814 0 40 DFAB O=C(CSCc1ccccc1)N1CCC2(CC1)OCCCO2 75156632 LRFNAOVCCOTQSJ-UHFFFAOYSA-N 321.442 2.675 0 40 DFAB O=C(NCc1ccsc1Br)N1CCSCC1 225760831 JUSUESDWZBVTCV-UHFFFAOYSA-N 321.265 2.769 0 40 DFAB C[C@@H](O)CNC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl 192439841 MMELVFJTMHSGPQ-RNFRBKRXSA-N 309.168 2.874 0 40 DFAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC1CCN(C)CC1 222736755 SLEDFLCNGZCMMK-AWEZNQCLSA-N 316.445 2.543 0 40 DFAB CC(C)n1c(CNC(=O)c2[nH]nc3c2CCC3)nc2ccccc21 95476436 MEUICFLZKJFOMC-UHFFFAOYSA-N 323.400 2.759 0 40 DFAB CN1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccccc2)C1 230104529 SZIXFUQCSHXIBK-ZWKOTPCHSA-N 312.388 2.787 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)c(C)s1)CC2 96420921 VCSZLKVSGNUDBO-GJZGRUSLSA-N 323.458 2.757 0 40 DFAB CC(C)(C)NC(=O)CCN1CCC[C@H]1C[C@H](O)c1ccccc1 96441735 NUQRSVQKGQBRCM-IRXDYDNUSA-N 318.461 2.879 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1c(C)nn(C(C)C)c1C)CC(=O)O2 95477877 SYBANYZPPDZFCJ-LBPRGKRZSA-N 315.373 2.519 0 40 DFAB Cc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)s1 96197329 SHSFLGUFWMLXHA-UHFFFAOYSA-N 313.430 2.514 0 40 DFAB CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1C)c1ccccn1 583651920 VKYICOPNGABXOI-CQSZACIVSA-N 320.414 2.828 0 40 DFAB COC[C@H]1CN(Cc2ccco2)Cc2nn(CC3CC3)cc21 96060439 DODKGVUUPGBVPN-CQSZACIVSA-N 301.390 2.632 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)nn1C 96479684 WKEIAYYFHLLLEQ-SNVBAGLBSA-N 321.402 2.551 0 40 DFAB CCc1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 96433718 JBCWFTUJFGVVCY-UHFFFAOYSA-N 314.389 2.587 0 40 DFAB c1ccc(COC[C@H]2CN(Cc3ccoc3)Cc3cncn32)nc1 253595384 CQVCWRGEGOOKLR-GOSISDBHSA-N 324.384 2.645 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c1C 256046962 JIXQXZIFBYTBQO-UHFFFAOYSA-N 314.389 2.963 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cc3cccs3)C2)n1 257260092 LBHBAHCQJPMIFV-CYBMUJFWSA-N 301.415 2.714 0 40 DFAB Cc1cccc(CS(=O)(=O)NCC[C@H](O)c2ccccc2)c1 85436464 MQZRWQISLKMNPJ-KRWDZBQOSA-N 319.426 2.538 0 40 DFAB COCCN(Cc1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 85474492 SPBPNIVUDJKUGN-UHFFFAOYSA-N 318.329 2.689 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](OCC3CCCC3)CCO2)C1 575402765 BRIWYIXGFBCDIJ-MRXNPFEDSA-N 309.450 2.999 0 40 DFAB CSc1nc(C)nc(C)c1C(=O)OCc1nc(C)c(C)o1 58305842 ILIMAPFSKQJMDN-UHFFFAOYSA-N 307.375 2.777 0 40 DFAB c1cc(CN[C@H]2CCN(C3CC3)C2)cc(N2CCCCCC2)n1 95422136 BWFKVOSMTNUMMC-KRWDZBQOSA-N 314.477 2.788 0 40 DFAB Oc1cc(Br)c(I)cc1F 2525218 QQIXQXWCRVQWEB-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB Cc1c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cnn1C 13297604 HXQSVRWUPXPDBQ-LLVKDONJSA-N 311.341 2.638 0 40 DFAB COC(=O)[C@@H](CCSC)NC(=O)Nc1cc(C)ccc1C 13758050 JFWDPHOIKWYTHA-GFCCVEGCSA-N 310.419 2.720 0 40 DFAB COc1ccccc1CNC(=O)/C=C/c1ccc2c(c1)OCO2 1469190 VFZVRWQAPGNYLJ-VQHVLOKHSA-N 311.337 2.754 0 40 DFAB COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccccc1 2554760 PKRNJXIUUYHTKV-UHFFFAOYSA-N 321.760 2.858 0 40 DFAB CCSc1ccccc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 239611796 FEPNRHFSKVATPJ-SNPRPXQTSA-N 321.442 2.865 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2cccs2)CC1 37117687 UNJPODQUQPXMBV-UHFFFAOYSA-N 309.822 2.688 0 40 DFAB c1cnc(OC[C@@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 1776009352 FRDXSJMQZCPBGZ-OAHLLOKOSA-N 309.413 2.735 0 40 DFAB CCNC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 2087077600 YIBYFGJCKCVMKG-UHFFFAOYSA-N 306.369 2.666 0 40 DFAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccco1 9037841 DPCRUFGTOOZOHY-UHFFFAOYSA-N 310.353 2.827 0 40 DFAB CCC(=O)N1CCCc2cc(NS(=O)(=O)C(C)C)ccc21 12180379 SALUKVOZACDRME-UHFFFAOYSA-N 310.419 2.526 0 40 DFAB CCc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)cn1 2055785132 KJXDCKRPGJBBNM-UHFFFAOYSA-N 301.434 2.592 0 40 DFAB CCOCCn1/c(=N/C(=O)C2CC2)sc2cc(C)ccc21 100873283 NTSLUZILYOHTIY-MSUUIHNZSA-N 304.415 2.885 0 40 DFAB Clc1ccccc1[C@@H]1CCCN1Cc1nnnn1C1CC1 40153667 VUSHPHCXWKUNAU-AWEZNQCLSA-N 303.797 2.999 0 40 DFAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOCC1 31865260 YYAVLUIVZVNEMI-UHFFFAOYSA-N 322.817 2.865 0 40 DFAB CS[C@@H](C)C(=O)Nc1ccccc1I 31663849 IFDIFAVMAOQDQT-ZETCQYMHSA-N 321.183 2.981 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2cccs2)CC1 51592092 GHAAQRGRRHKVRW-GFCCVEGCSA-N 318.446 2.887 0 40 DFAB O=C(Nc1cccc(O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 32104786 JUHJPPKFGFHMTG-NSHDSACASA-N 314.316 2.523 0 40 DFAB COc1cccc(-c2nn(C)c3c2C(=O)C[C@H](C)C3)c1OC 2539502 PQSOIJGGTVENIE-SNVBAGLBSA-N 300.358 2.869 0 40 DFAB COC(=O)C[C@H](NC(=O)NCC(C)C)c1ccccc1Cl 29320319 DSPGBCALPYKXOO-ZDUSSCGKSA-N 312.797 2.899 0 40 DFAB Cc1ccc(C(=O)NCCC2CCCC2)cc1NS(C)(=O)=O 29343819 HUNZQUKUEAIQJG-UHFFFAOYSA-N 324.446 2.677 0 40 DFAB CCCc1nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)sc1CC 81637513 JDSOCJXPOJLJHP-WDEREUQCSA-N 309.435 2.717 0 40 DFAB COc1ccc2c(c1)C(=O)N(C)C(=O)/C2=C/Nc1ccccc1 358455 SGLYOQLJXWGNMT-LFIBNONCSA-N 308.337 2.760 0 40 DFAB CC(C)c1nc([C@H]2CCCN2CCC(=O)N2CCCCC2)no1 75573273 XHKXOBJOCHPKOI-CQSZACIVSA-N 320.437 2.733 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(C)C)c1 1343024 RESGAXFHOPCCNP-OAHLLOKOSA-N 303.406 2.764 0 40 DFAB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccco2)NC3=O)cc1 1404781 SNWYITRUGCYUCH-HNNXBMFYSA-N 309.325 2.901 0 40 DFAB O=C(Cc1csc(-c2cccs2)n1)Nc1nncs1 21214780 QDTMNSGJTTWDCB-UHFFFAOYSA-N 308.413 2.904 0 40 DFAB Cn1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1=O 75536194 TUYMUGHXXPBLSQ-UHFFFAOYSA-N 320.801 2.791 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1C 32753765 IGCDQEWXKHQPKI-QGZVFWFLSA-N 310.353 2.896 0 40 DFAB CC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 426904 UISFMNZACUZOOH-SNVBAGLBSA-N 315.398 2.746 0 40 DFAB S=C(Nc1ccccc1)N1CCN(Cc2ccco2)CC1 7095494 GSCVDJHYQXQKHT-UHFFFAOYSA-N 301.415 2.794 0 40 DFAB COC(=O)c1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1 21864772 LQTSQHXIYPGZPC-UHFFFAOYSA-N 315.354 2.592 0 40 DFAB COc1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 546783 LMGQXVPAKSXSBK-GOSISDBHSA-N 311.337 2.806 0 40 DFAB aggregator Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)o1 565368 KYPBXJMZMDCXIL-SFHVURJKSA-N 313.353 2.804 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 12197141 XSEDXSCEFOLKMU-AWEZNQCLSA-N 318.417 2.715 0 40 DFAB O=C(NCc1ccccc1Cl)c1ccc(-n2cncn2)cc1 8273140 ONVCHFQJEBJDAK-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccsc1C(=O)O 37370724 XLGITCOZHTXXBN-VIFPVBQESA-N 323.395 2.586 0 40 DFAB O=S(=O)(NCCc1cccc(Cl)c1)N1CCCCCC1 23399164 QHYWWAKEGMLDAC-UHFFFAOYSA-N 316.854 2.593 0 40 DFAB O=C(Cc1noc([C@@H]2C[C@@H]3CC[C@@H]2C3)n1)NCc1ccccc1 102761358 DDXLKSBIONZPAW-RBSFLKMASA-N 311.385 2.832 0 40 DFAB O=C(NCc1ccoc1)NC[C@H](c1ccco1)N1CCCCC1 43137047 PQRLGRGSFIDTLD-OAHLLOKOSA-N 317.389 2.899 0 40 DFAB CCOC(=O)Cc1cc2c(n1-c1cc(C)on1)C[C@H](C)CC2=O 3135550 SJSQUTOXBXQWLW-JTQLQIEISA-N 316.357 2.644 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1 25169194 ZJSDBTSVRDABRH-OAHLLOKOSA-N 320.414 2.687 0 40 DFAB Oc1cccc(N2CCN(C(=S)NC3CCCCC3)CC2)c1 1460292 GPBCNAGQPHZJJS-UHFFFAOYSA-N 319.474 2.721 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2cc(OC)ccc2OC)cn1 43644862 VIALRRCYQLOXNR-NSHDSACASA-N 318.377 2.803 0 40 DFAB c1ccc(CN2CCN(Cc3cc(-c4ccco4)on3)CC2)nc1 25762700 LAPCPTMHTMKKFK-UHFFFAOYSA-N 324.384 2.647 0 40 DFAB C[C@H]1CN(c2ccccc2NC(=O)NCC2CC2)C[C@H](C)O1 47809241 RJWNACAMMQPRIL-STQMWFEESA-N 303.406 2.832 0 40 DFAB O=C(NCCCN1CCCC1=O)Nc1ccc(F)cc1Cl 58289777 YMVRAFSJBYRLDH-UHFFFAOYSA-N 313.760 2.613 0 40 DFAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc2ccccc2o1 58246083 BVZJCVQVZYCIDH-UHFFFAOYSA-N 318.336 2.944 0 40 DFAB COc1ccc([C@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1O 44901371 HHUFKSDLZKUUCL-CYBMUJFWSA-N 305.359 2.857 0 40 DFAB CCn1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 58391549 ULGRJJDMKAKGEF-MRXNPFEDSA-N 312.417 2.754 0 40 DFAB O=C(NC1CCCCCC1)c1ccc2c(=O)[nH]c(S)nc2c1 48237985 HYMAPNFPFQHXFI-UHFFFAOYSA-N 317.414 2.664 0 40 DFAB CCNc1nc(S[C@@H]2CCCCNC2=O)nc2ccccc12 11129835 KTQHCPLAMAQPBI-CYBMUJFWSA-N 316.430 2.822 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1C 2497052 QMDJQHNRNHRGMD-UHFFFAOYSA-N 311.794 2.813 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC=CCC1)CC2 36727214 ROHMVNSVNSCIFI-CYBMUJFWSA-N 301.386 2.945 0 40 DFAB Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3433258 MYPUESKBTOIVNU-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB O=C(O)CCCN1CSC(=S)N(Cc2ccccc2)C1 3586239 SAFBQMYBOFUELH-UHFFFAOYSA-N 310.444 2.602 0 40 DFAB Cc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1C 3554100 VKMNOJFNMRNOLC-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 13171162 YRAOIOKKUQKJPZ-VIFPVBQESA-N 302.157 2.930 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccn(C)n3)cc2)n1 69532806 PCPPWAFFWRWCJJ-UHFFFAOYSA-N 309.373 2.534 0 40 DFAB Clc1cccc(-c2nn3c(-c4cnccn4)nnc3s2)c1 13731391 XRZHMBJAPMDMJJ-UHFFFAOYSA-N 314.761 2.963 0 40 DFAB Cc1nn(C)c(C)c1CN(Cc1ccc2nonc2c1)C1CC1 65395941 KZUHYXVOXRNAII-UHFFFAOYSA-N 311.389 2.738 0 40 DFAB CCNC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 65593202 FUMQKBYOASWZOC-GFCCVEGCSA-N 318.352 2.785 0 40 DFAB CC(C)c1ccc(C[S@@](=O)Cc2nnnn2C2CC2)cc1 69810075 RHFDCXITGLTFJB-NRFANRHFSA-N 304.419 2.580 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cccc(Br)c1 14285857 ZSTSYAMRLMMCGM-STQMWFEESA-N 320.186 2.900 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCCC2 5423120 FEUKVBHRHGBSCV-UHFFFAOYSA-N 319.430 2.717 0 40 DFAB O=C1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N1 69925382 TZYDXOXSDQQYSV-HIFRSBDPSA-N 306.793 2.576 0 40 DFAB O=C(NCCCn1cccn1)N1CCSC2(CCCCC2)C1 80068321 OTNQZEZSTSNONQ-UHFFFAOYSA-N 322.478 2.735 0 40 DFAB CSc1cccc(N[C@@H](C(=O)NC(N)=O)c2ccccc2)c1 7223696 XMMRQSFOJWWJON-CQSZACIVSA-N 315.398 2.757 0 40 DFAB COC(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68724743 UEJJWPZMBWSHBG-VHSXEESVSA-N 316.184 2.776 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)NC(=O)/C=C/c1cnccn1 71184933 YMXJRDMXQWTSKR-BTDICHCPSA-N 301.777 2.891 0 40 DFAB COCc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 97013559 GEKOUMQFWJPIPZ-TZMCWYRMSA-N 303.406 2.580 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72232222 CPVZVINYFSMPQS-GFCCVEGCSA-N 318.377 2.818 0 40 DFAB COC(=O)Nc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71808769 NLYAXRVSTLRKEO-UHFFFAOYSA-N 320.345 2.839 0 40 DFAB O=C(NCC[S@](=O)c1ccccc1)N1Cc2ccccc2C1 71909927 FJVDFTICFGXTJF-JOCHJYFZSA-N 314.410 2.520 0 40 DFAB CCCN(CC(F)(F)F)C(=O)c1nnc2ccccc2c1O 71911119 CPAPWKBJXNYDLI-UHFFFAOYSA-N 313.279 2.750 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@H]([C@@H](C)O)C1 97107974 GKLDWNWKXCMQCL-HYVNUMGLSA-N 304.434 2.728 0 40 DFAB O=C(Nc1cncnc1N1CCCC1)c1ccc(F)c(F)c1F 97376773 GKVQHGVHPHRVMM-UHFFFAOYSA-N 322.290 2.746 0 40 DFAB OCCn1cc(NCc2csc(-c3ccc(F)cc3)n2)cn1 95348569 YKKFKFHGNDGPTO-UHFFFAOYSA-N 318.377 2.750 0 40 DFAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1cccnc1 409416142 QATUMFSNTBEGCS-PLNGDYQASA-N 318.760 2.821 0 40 DFAB O=C(NCCSCC1CC1)N[C@@H]1CCOC2(CCCC2)C1 95426256 QCQWWVTZYBSKTD-CQSZACIVSA-N 312.479 2.921 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)NCc2ccon2)C12CCCCC2 79032991 ZCTKAOSXXUAXCF-ZIAGYGMSSA-N 307.394 2.602 0 40 DFAB NC(=O)CCn1ccc(NCc2c(Cl)cccc2Cl)n1 79112185 CTENDYNFLIRYDV-UHFFFAOYSA-N 313.188 2.677 0 40 DFAB C[C@@H](NC(=O)NCCc1csc2ccccc12)c1nc[nH]n1 95996168 DXEICNOVBFMJLL-SNVBAGLBSA-N 315.402 2.622 0 40 DFAB CN1CCN(c2ccccc2NC(=O)N[C@@H]2C=CCCC2)CC1 89382800 FWYPAOGATGVKNX-OAHLLOKOSA-N 314.433 2.669 0 40 DFAB CCN1CCN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CC1 65739619 MHZWALDGPXSPGF-UHFFFAOYSA-N 315.392 2.617 0 40 DFAB in-vitro O=C(NC[C@@H]1CCCOC1)c1cc(O)cc(C(F)(F)F)c1 521394917 CCUWJNPZDTZTOS-VIFPVBQESA-N 303.280 2.567 0 40 DFAB CCN(Cc1nonc1C)S(=O)(=O)c1ccc(C(C)C)cc1 32611269 BGOQWXIDFCNISA-UHFFFAOYSA-N 323.418 2.712 0 40 DFAB Cc1ccc(C(N)=O)cc1OCc1nccn1Cc1ccccc1 72920464 KAGRXPKRIGWEHI-UHFFFAOYSA-N 321.380 2.918 0 40 DFAB Cc1ccc2nc(SCc3cccc(F)c3)n(N)c(=O)c2c1 71327781 DSDTVNKQBRLBND-UHFFFAOYSA-N 315.373 2.850 0 40 DFAB Cc1ccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 35622905 IRUPNPVCSZGXMP-JKSUJKDBSA-N 319.449 2.594 0 40 DFAB Brc1ccc(CNc2ncnc3[nH]cnc23)s1 37987131 YIVYLAWUQCBDDX-UHFFFAOYSA-N 310.180 2.789 0 40 DFAB O=C(CC1CCCC1)N1CCCN(C(=O)NCC2CCC2)CC1 78663440 LJMWHGGVKYKTQG-UHFFFAOYSA-N 321.465 2.611 0 40 DFAB Clc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1 217559351 VUIDTULSCNGVJC-UHFFFAOYSA-N 313.792 2.912 0 40 DFAB COc1cccc(CNc2cccc(C(=O)N3CCCC3)c2)n1 225386923 CWLDZKYUFAWZEJ-UHFFFAOYSA-N 311.385 2.938 0 40 DFAB CC(C)CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 40081449 PAXMMGOYFHCOLZ-GOSISDBHSA-N 317.477 2.528 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)[C@@H](C)Oc1ccccc1 195545684 BNHXGSCBAXQZKF-ANQUJSFKSA-N 320.433 2.645 0 40 DFAB COC1(CNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)CCCC1 570481921 BGVVKCMKQQGGOY-ZDUSSCGKSA-N 305.422 2.852 0 40 DFAB C[C@H]1Cc2ccc(N)cc2N1S(=O)(=O)c1ccc(F)cc1 225328247 QWINSBUHTSVFDQ-JTQLQIEISA-N 306.362 2.548 0 40 DFAB Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCCO3)nc1C 572882604 LZLDBNRPYHFDKN-UHFFFAOYSA-N 310.397 2.882 0 40 DFAB O=C(O)c1nc2ccc(C(F)(F)F)cn2c1Br 95215856 LTQVLERWHVEWBT-UHFFFAOYSA-N 309.041 2.814 0 40 DFAB O=S(=O)(Nc1ccc(N2CCCC2)cn1)c1ccccc1F 96408037 WMIREQXGXSLHJQ-UHFFFAOYSA-N 321.377 2.622 0 40 DFAB c1cncc(O[C@H]2CN(Cc3ccsc3)[C@H]3CCCO[C@H]23)c1 96058078 QSJAMGJTFPTBNE-ULQDDVLXSA-N 316.426 2.954 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2ccno2)cc1 583615562 JIZUYZPFZORFSQ-IRXDYDNUSA-N 302.374 2.555 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1F 96229718 ZJOBUWPLAUAYJS-GOSISDBHSA-N 318.392 2.751 0 40 DFAB c1ccc(N2CCOC[C@]3(CCCN(c4ncccn4)C3)C2)cc1 96076745 XGLURZJJDSTGFP-LJQANCHMSA-N 324.428 2.600 0 40 DFAB Cc1ccccc1Cc1nnc(NC(=O)c2csnn2)s1 98086587 RGIWCNGTIZTFGW-UHFFFAOYSA-N 317.399 2.541 0 40 DFAB CC(=O)N1CCN(Cc2cccc(C)n2)[C@@H](c2ccccc2)C1 257300823 RVVNFYITYBRSLK-LJQANCHMSA-N 309.413 2.795 0 40 DFAB COc1ncccc1C(=O)N1CCC(C)(c2nccs2)CC1 257303375 SGYHFJXGCIRXIC-UHFFFAOYSA-N 317.414 2.741 0 40 DFAB O=C(c1cccc(O)c1OC(F)(F)F)N1CCC=C(F)C1 585140671 IBKRFEVUCSBVCZ-UHFFFAOYSA-N 305.227 2.990 0 40 DFAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccncc2)C3)c1 585103810 DBFMQILGFVMAKL-INIZCTEOSA-N 313.426 2.616 0 40 DFAB Cc1cccc(OC[C@@]2(O)COCCN(C3CCCCC3)C2)c1 585275390 DKYDBNWMPQRZCM-IBGZPJMESA-N 319.445 2.770 0 40 DFAB C=CC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 585291508 CYLGJDLBXIVAOJ-CQSZACIVSA-N 309.373 2.773 0 40 DFAB O=C(NCc1nc(CO)cs1)c1cscc1C(F)(F)F 585114166 WUGSFDXGEFOZIC-UHFFFAOYSA-N 322.333 2.646 0 40 DFAB CC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)c1ccccc1 58292933 XIMXMDITHCSEQV-XJKSGUPXSA-N 314.385 2.594 0 40 DFAB CC(C)OCCN(Cc1cccc(O)c1)C1CCC(O)CC1 68973174 DBSZJDWDPDQNFC-UHFFFAOYSA-N 307.434 2.923 0 40 DFAB CCN(CC)CCC[C@H](C)n1c(=O)oc2ccccc2c1=O 2023660 NWHSTSPKENDSKU-ZDUSSCGKSA-N 304.390 2.638 0 40 DFAB CO[C@@H](CNc1ncnc2c1cnn2C)c1ccc(C)s1 1775972709 RUVTXQOORSVHAA-NSHDSACASA-N 303.391 2.533 0 40 DFAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 5492109 ONKCKALZPMMRPK-UHFFFAOYSA-N 300.268 2.501 0 40 DFAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(N)=O)cc1 5752572 REIYUWODBNGGIG-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB C[C@@H](O)CN(Cc1ccc(O)cc1)Cc1ccc2c(c1)OCO2 13991785 XXWRBMWHRHXZAG-CYBMUJFWSA-N 315.369 2.504 0 40 DFAB O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1 19372608 RQCZVUNGZDNNME-AZUAARDMSA-N 321.424 2.720 0 40 DFAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)NC1CCCCC1 9038609 FTJXYPWAMBWIKO-CQSZACIVSA-N 315.417 2.671 0 40 DFAB COc1ccccc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 13225136 QOAMKNSIXZGURH-UBHSHLNASA-N 303.358 2.553 0 40 DFAB in-vitro CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)C1CCCCC1 3249857 PJXHJSKEWXVZAG-UHFFFAOYSA-N 324.808 2.870 0 40 DFAB Cc1nc2c(c(N3CCC[C@H](COc4ccncc4)C3)n1)CCC2 1776001906 RITIYHVURJOFSK-HNNXBMFYSA-N 324.428 2.964 0 40 DFAB CCCCS(=O)(=O)N1CCC(c2nnc(C(C)C)o2)CC1 38670484 ZVYHFRMEJCVTKD-UHFFFAOYSA-N 315.439 2.502 0 40 DFAB CCCCC(=O)Nc1nnc(-c2cc(OC)cc(OC)c2)o1 4330157 HLAFJGYZJXTRLK-UHFFFAOYSA-N 305.334 2.883 0 40 DFAB CC(C)(C)CC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339127 GMLKSOBNGCZOIL-UHFFFAOYSA-N 310.419 2.601 0 40 DFAB O=C(c1ccncc1)N1CC(Oc2nc3ccccc3s2)C1 206658090 PMYWDSQWIZHMFB-UHFFFAOYSA-N 311.366 2.595 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)no1 211122334 DAUBUAWYCIZFQG-LBPRGKRZSA-N 312.329 2.732 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@@H](C)Cc2cccs2)cc1 38935426 FSHINNITPGJWQO-NSHDSACASA-N 303.383 2.896 0 40 DFAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cccc2ccccc12 575614914 AHIPHNVXOBSDLH-KRWDZBQOSA-N 308.385 2.886 0 40 DFAB CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccco1)c1cccs1 585147704 LBDCOOBHYLFAAX-GFCCVEGCSA-N 321.398 2.931 0 40 DFAB CCCCOc1ncccc1CNC(=O)CC1(O)CCCCC1 73078764 YTFHCYSRLBZBDQ-UHFFFAOYSA-N 320.433 2.962 0 40 DFAB CCc1ccccc1N1C(=O)C[C@@H](N2CCc3ccccc32)C1=O 236682 NDMDOKGXTXLLFZ-GOSISDBHSA-N 320.392 2.944 0 40 DFAB CC(C)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1 21041152 PQZJTPKDSVLROE-UHFFFAOYSA-N 308.359 2.637 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNc1nnnn1-c1ccccc1 52280749 ONZYBTOBUZTXSS-ZFWWWQNUSA-N 301.394 2.670 0 40 DFAB CC(C)(Br)[C@@]1(O)CCCN1C(=O)c1ccccc1 1613317 SFTAJGVFLUGLSN-AWEZNQCLSA-N 312.207 2.785 0 40 DFAB CCCCOc1ccc(C(=O)O[C@@H](C)CNCCC)cc1N 1661070 VPUFWAXLLPRXMA-ZDUSSCGKSA-N 308.422 2.993 0 40 DFAB CCc1cc(=O)[nH]c(SCCOc2cccc(OC)c2)n1 4945285 OJZCZMWXONZWOA-UHFFFAOYSA-N 306.387 2.512 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCc1cccc(Cl)c1 6741423 LBSALAHKZWDRNS-DHMWGJHJSA-N 321.804 2.746 0 40 DFAB CCOC(=O)c1ccc(-c2ccc(CNC[C@H](C)O)o2)cc1 7519973 LYSZBPYXQOFXGL-LBPRGKRZSA-N 303.358 2.594 0 40 DFAB O=C(CCCc1ccccn1)N1CCCC[C@@H]1Cn1cccn1 69970173 SYBUTSIOGUUOAK-QGZVFWFLSA-N 312.417 2.682 0 40 DFAB Cc1occc1C(=O)NCc1cccnc1OCC(F)(F)F 33108347 ZRWYSDIIACEZHN-UHFFFAOYSA-N 314.263 2.854 0 40 DFAB CSc1nc(NC(=O)c2ccccc2Br)n[nH]1 8655148 UCDUHAURQVKFJE-UHFFFAOYSA-N 313.180 2.541 0 40 DFAB CC(C)(C)c1n[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 12256038 UPGXDTSYKMQTPY-UHFFFAOYSA-N 315.402 2.631 0 40 DFAB C[C@]12CCC(=O)N1[C@H](C(=O)NC1CCCCCCC1)CS2 22962143 RWNQSDUJXQPCTE-BBRMVZONSA-N 310.463 2.670 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc3c(F)cccc3[nH]2)c(=O)[nH]1 23884621 MCCUIAVYNWGMAI-UHFFFAOYSA-N 313.332 2.542 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)cc1 57012931 POFXPNBXWCBNAE-INIZCTEOSA-N 302.399 2.916 0 40 DFAB Cc1cc(CNC(=O)CCCNC(=O)C(C)(C)C)ccc1F 25463919 IKZGXGMUGKQYAS-UHFFFAOYSA-N 308.397 2.693 0 40 DFAB Cc1ccc([C@H](C)NC(=O)c2sccc2-n2cnnn2)s1 56176898 FPMBQIUGFVOUBY-VIFPVBQESA-N 319.415 2.585 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)C1CCCCC1)C2=O 56552574 GDHDVNWMZZXPGK-SUMWQHHRSA-N 307.438 2.709 0 40 DFAB COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c1 106515373 SJRGGRRWIHTRHE-UWWQBHOKSA-N 324.380 2.772 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N(CC)CC)C[C@@H]2CC[C@]1(C)C2(C)C 103635454 COPNRBGCMYZHMV-JFTQMJAMSA-N 310.482 2.804 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 76044044 XUWXPDIZADPXKE-JOYOIKCWSA-N 318.377 2.704 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cn(-c2ccc(F)cc2)nn1 57511414 SMVICFHRNPWFIE-UHFFFAOYSA-N 310.332 2.679 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)NC1CCCC1 58160327 DUJKSGOOGIJYSP-SNVBAGLBSA-N 309.797 2.909 0 40 DFAB CCCN(CC(F)F)S(=O)(=O)c1cccc2cccnc12 71909270 AYQXJWZXIRZQPK-UHFFFAOYSA-N 314.357 2.901 0 40 DFAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C=O)cc1 3386277 CRZVIWBVWXJHSN-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCc2cccnc2N(C)C)o1 44951231 QTNCNKLIWGWXAV-LBPRGKRZSA-N 302.378 2.609 0 40 DFAB C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 58313364 XVWMLFLENRBNQU-GXFFZTMASA-N 307.369 2.890 0 40 DFAB Cc1cc(C(C)(C)C)cc(C)c1CCNS(=O)(=O)N(C)C 27956437 VHXFSPVEVILTJV-UHFFFAOYSA-N 312.479 2.539 0 40 DFAB CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 28265816 MXGSUVRIBOCXCX-UHFFFAOYSA-N 312.369 2.795 0 40 DFAB COc1ccc(-c2cc(C(F)(F)F)n3ncnc3n2)cc1OC 2341902 UWNQDOLWKKPXCE-UHFFFAOYSA-N 324.262 2.827 0 40 DFAB Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)no1 48333964 WNZQOHDONYBODC-UHFFFAOYSA-N 322.748 2.979 0 40 DFAB O=C(CN1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 12823595 BHOROKWZJLKZSZ-UHFFFAOYSA-N 310.401 2.784 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCN1C(=O)c1ccco1 12854523 YOIWBYPIOVPNTK-CYBMUJFWSA-N 320.295 2.801 0 40 DFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(F)cc1F 3409793 SYFONZPHAHVHNZ-UHFFFAOYSA-N 322.286 2.815 0 40 DFAB COc1ccc2oc(C)c(C(=O)O[C@H]3C[C@@H](C)OC3=O)c2c1 84026967 PWEUGAYGGZZDPT-OQPBUACISA-N 304.298 2.611 0 40 DFAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1 3614641 BHIIOZDPXKRJEA-MEDUHNTESA-N 301.317 2.843 0 40 DFAB CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13062213 QMNJEAJVPKFTSF-GASCZTMLSA-N 318.804 2.681 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccncc2)c1C 14058019 XOJHWKVQZKUUCV-LLVKDONJSA-N 315.373 2.694 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)c2ccccc2F)o1 65610183 NMXBGHDMDLWHCI-OAHLLOKOSA-N 315.348 2.940 0 40 DFAB COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1C 5557285 AGZGGYZLTZRRPK-MRXNPFEDSA-N 321.332 2.977 0 40 DFAB Cc1cc(OCC(=O)N(CC(C)(C)C)CC(F)(F)F)no1 71894154 RNSTZBBIJVTIIM-UHFFFAOYSA-N 308.300 2.799 0 40 DFAB O=C(NCc1ccc(Cl)s1)NC[C@H](O)Cc1ccccc1 71803871 WIWYYHLEFPBXLN-GFCCVEGCSA-N 324.833 2.804 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(F)c1 7552534 ZVARKMMOIIPXEZ-CQSZACIVSA-N 304.321 2.501 0 40 DFAB c1cnn(CCNCc2ccc(OCc3cscn3)cc2)c1 71819651 NPQBPYXPBXGLOX-UHFFFAOYSA-N 314.414 2.708 0 40 DFAB O=C(Cc1c(F)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 16489181 OZRRUOMBURHLPY-UHFFFAOYSA-N 319.723 2.830 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)COC2CCCC2)n1 71865544 OJJZCLRTFHDLIG-MRXNPFEDSA-N 319.449 2.840 0 40 DFAB COc1cc(CNCCn2cc(C)cn2)cc(Cl)c1OC 70011528 WGHKVQMQDBUZEN-UHFFFAOYSA-N 309.797 2.652 0 40 DFAB O=C([C@H](Cc1ccccc1)NCc1cccc(O)c1)N1CCCC1 69780323 HAIVQYJWNPJTPG-IBGZPJMESA-N 324.424 2.716 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccccc1F 87171065 SRBUOXSDDLRDDC-LBPRGKRZSA-N 317.364 2.857 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)NOCc1ccccc1 78848094 XYUCZAZOPBMBHD-NSHDSACASA-N 303.362 2.653 0 40 DFAB O=C(c1ccccc1O)N1CCC[C@H]1C[C@H](O)c1ccco1 97032765 OMHKNNFBIVWGEJ-WFASDCNBSA-N 301.342 2.714 0 40 DFAB CC(C)c1nc([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)no1 72232139 UREYJJIBCFIJRJ-KBPBESRZSA-N 321.421 2.858 0 40 DFAB CCOC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)n[nH]c1C 79495083 UNSQVPHDCLOCSR-CYBMUJFWSA-N 304.346 2.517 0 40 DFAB Cc1ncccc1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 84505086 VLTATPHMELJSQM-UHFFFAOYSA-N 318.398 2.904 0 40 DFAB CC(C)n1cc(NC(=O)N(CCCO)Cc2ccccc2)cn1 95426838 IIOSZRDPBFFSKI-UHFFFAOYSA-N 316.405 2.881 0 40 DFAB CC(=O)c1ccccc1C(=O)N(C)Cc1ccc(N(C)C)nc1 95438375 QCEUOBRKJSXASG-UHFFFAOYSA-N 311.385 2.622 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 95400004 PGLHTOZJZNRTIQ-SJORKVTESA-N 324.380 2.601 0 40 DFAB O=C(N[C@@H](CCO)C1CC1)N[C@@H](c1ccc(F)cc1)C1CC1 95401089 HQMUFKSZBWODLH-JKSUJKDBSA-N 306.381 2.737 0 40 DFAB Cc1[nH]c2ccc(C(=O)NCc3ccnc4ccnn34)cc2c1C 95465768 XPCJYFMWAVKWNT-UHFFFAOYSA-N 319.368 2.757 0 40 DFAB O=C(OCc1ccn(-c2c(F)cccc2F)n1)c1cscn1 95433581 HXIWUHUNZQJCQT-UHFFFAOYSA-N 321.308 2.964 0 40 DFAB CC(C)n1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cn1 95413323 UZHCALMLKVBYPS-WCQYABFASA-N 306.366 2.691 0 40 DFAB CNC(=O)C1(C(=O)Nc2ccc(OCCC(C)C)cc2)CC1 73377061 LXJBXVARGMZEMK-UHFFFAOYSA-N 304.390 2.576 0 40 DFAB Cc1nc([C@@H]2CN(Cc3nc4ccccc4s3)CCO2)no1 95958068 LREZEPWEFLHMDH-LBPRGKRZSA-N 316.386 2.561 0 40 DFAB C[C@]1(COC(=O)CCc2ccc3c(c2)OCCCO3)CCCO1 95965210 OYQYLPKXBGWCTN-GOSISDBHSA-N 320.385 2.893 0 40 DFAB O=C(NCCn1ccnc1)N[C@@H](c1ccc(F)cc1)C1CCC1 75128068 CMRYZVDYKVJJAL-MRXNPFEDSA-N 316.380 2.863 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCN(Cc2cccs2)CC1 89800011 WPDLRIKDCSSNLV-UHFFFAOYSA-N 317.414 2.572 0 40 DFAB CCc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)nn1 545371823 FREIMOFVDUJCTP-UHFFFAOYSA-N 324.384 2.727 0 40 DFAB CCOc1ccc(-c2nnc(NC(=O)CC)o2)cc1OCC 36680610 ZDZIIFPNUFBMLG-UHFFFAOYSA-N 305.334 2.883 0 40 DFAB O=C1NCCCN(C(=O)Nc2ccccc2)[C@@H]1Cc1ccccc1 517073469 XCEQUPFIJYEQIT-QGZVFWFLSA-N 323.396 2.652 0 40 DFAB O=C(O[C@@H](C(=O)NC1CCCC1)c1ccccn1)c1ccco1 35315835 USJXFKMVIQNDJN-OAHLLOKOSA-N 314.341 2.632 0 40 DFAB CC(C)CCn1nccc1NC(=O)C[C@@H](N)c1ccccc1 564991560 JNRFMVKGRGGOJI-OAHLLOKOSA-N 300.406 2.958 0 40 DFAB Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(CCO)C1 72361609 RMSFKZSRKJRRRZ-OAHLLOKOSA-N 313.401 2.749 0 40 DFAB Cc1ccc(C2CCN(C(=O)c3nnc(C)s3)CC2)cn1 329771704 GXOWEYMOYOJWDF-UHFFFAOYSA-N 302.403 2.570 0 40 DFAB O=C(O)[C@H](c1ccccc1F)N1CC[C@@H](c2cccnc2)C1 568060179 UTAJAGSEXRCSND-CJNGLKHVSA-N 300.333 2.836 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 130201546 KTYZLQORCYOVIP-TUAOUCFPSA-N 307.360 2.501 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-n2ccnn2)cc1 89585212 NENBXQXJFAJZKO-UHFFFAOYSA-N 322.412 2.966 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)c3ccsc3)C2)nn1 225462087 ZQKXJAUXYCGPRP-ZDUSSCGKSA-N 303.387 2.530 0 40 DFAB COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)n[nH]c1C 85877637 MPIDFWKIFYAAMX-CYBMUJFWSA-N 314.341 2.546 0 40 DFAB biogenic Cc1ccc(NC(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)nc1 226852918 MTKMCTHBHPJCPJ-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB CCc1ccc(CNC(=O)N2CC[C@H](C(=O)OC)[C@H](C)C2)s1 190109305 YWQKKFPGDBLOCE-RISCZKNCSA-N 324.446 2.651 0 40 DFAB Cc1nc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)cs1 96408968 HECXMYVKGFTZJC-HNNXBMFYSA-N 320.414 2.702 0 40 DFAB O=C(CCCc1ccccc1)Nc1nc([C@H]2CCCO2)n[nH]1 95479530 FPMRYRVOCWXDQH-CYBMUJFWSA-N 300.362 2.618 0 40 DFAB CCO[C@@H]1CCN(CCc2ccccc2)[C@@H]1Cc1cnn(C)c1 96200636 NIXNUUMSFIXSDA-RTBURBONSA-N 313.445 2.685 0 40 DFAB Cn1cnnc1CN1CCN(Cc2ccccc2)c2ccccc21 96486852 NRGTVRQAHHODDD-UHFFFAOYSA-N 319.412 2.842 0 40 DFAB COC(=O)[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C1CC1 96406161 ZXUJXBPQKMZRIF-CYZMBNFOSA-N 307.415 2.713 0 40 DFAB Cc1ccn2ncc(C(=O)Oc3cccc4c3CCCC4=O)c2n1 96442752 MXTVZWQSOFYRAE-UHFFFAOYSA-N 321.336 2.776 0 40 DFAB Cc1cncc(C(=O)NC[C@@H](CO)Cc2ccc(Cl)cc2)c1 95407022 RFYGOQUODFXVRB-AWEZNQCLSA-N 318.804 2.624 0 40 DFAB Cc1c(CNC(=O)N[C@@H](C)Cc2cccc(Cl)c2)cnn1C 95442686 JJKBYQROHYJBTI-NSHDSACASA-N 320.824 2.812 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)CCc1cc(Cl)cs1 97050056 JOJBTPVRYPVPCB-LLVKDONJSA-N 301.795 2.800 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(c2ccccn2)C3)cs1 96202518 DVQPLZPWGPLFSS-UHFFFAOYSA-N 300.431 2.559 0 40 DFAB CC(C)C(=O)N1CCC[C@]2(CN(Cc3cccs3)CCO2)C1 96049123 KDOMMJCALJNGMD-KRWDZBQOSA-N 322.474 2.598 0 40 DFAB CN(C)CC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2cncn21 248123001 NRNPGJXXGHVZHO-CQSZACIVSA-N 320.387 2.670 0 40 DFAB c1cncc(NC[C@@H]2CC[C@@H]3[C@H]2OCCN3c2cccnc2)c1 248066649 RGCYLAWTYADCOF-QGTPRVQTSA-N 310.401 2.573 0 40 DFAB CC(C)C(=O)N1CCC[C@@H]2N[C@](C)(Cc3ccccc3)C[C@@H]21 257297924 RJIRDLCQQFDPSS-JENIJYKNSA-N 300.446 2.997 0 40 DFAB CO[C@H]1CN(C(=O)c2ccc(C)c(F)c2)CC[C@@]12CCCO2 257309350 UAPSFOGWFCXPDI-RDJZCZTQSA-N 307.365 2.544 0 40 DFAB c1ccc(CN2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)nc1 257257093 KOCAWUOULZVYGZ-INIZCTEOSA-N 306.373 2.599 0 40 DFAB O=C(c1ccsc1)N1CC(n2cc(-c3ccccc3)nn2)C1 97941617 GEWIKYJCUFCSFW-UHFFFAOYSA-N 310.382 2.704 0 40 DFAB COC(=O)c1c(Br)cc(C)c(N)c1Br 96035840 YGAOHYSTOURSEQ-UHFFFAOYSA-N 322.984 2.889 0 40 DFAB in-vitro O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2cccnn2)CC1 96119354 YDTOZPNXFYLPSQ-UHFFFAOYSA-N 322.368 2.642 0 40 DFAB CC[C@@H](C)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104198 KRYIFUKAZSPNJF-APWZRJJASA-N 316.445 2.536 0 40 DFAB O=C(NCCc1cccc(F)c1)Nc1nnc(C2CC2)s1 43359389 QDYVRDKJHMSECU-UHFFFAOYSA-N 306.366 2.919 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1c1ccc[nH]1 66915539 OQTPKVWPPNNVIE-DZKIICNBSA-N 306.406 2.652 0 40 DFAB O=C(NCc1cccnc1)Nc1ccc(Cn2cccn2)cc1 69200890 UIEKUWKEVSPESZ-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB Cc1nn(Cc2nc(CC(C)C)no2)c(C)c1Br 95955964 BDZRGWICOKTPKR-UHFFFAOYSA-N 313.199 2.892 0 40 DFAB CO[C@@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1ccc(F)cc1 1615083715 FJMOASDODCXWOQ-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB O=C(COC(=O)c1c[nH]c2ccccc12)NC1CCCCC1 5090518 OLLLTKBZJQVCOF-UHFFFAOYSA-N 300.358 2.774 0 40 DFAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(C)cc2)cc1 14207367 VBIVXTHRISNFPX-UHFFFAOYSA-N 311.385 2.741 0 40 DFAB CC(=O)NC(=S)Nc1c(C)cc(Br)cc1C 14257516 GRXFXWIEBGZVKT-UHFFFAOYSA-N 301.209 2.899 0 40 DFAB O=C(O)/C(Cl)=C(/Cl)C(=O)NC1C2CC3CC(C2)CC1C3 17188826 RWRPBNNRVYGIDE-KHPPLWFESA-N 318.200 2.701 0 40 DFAB CCOc1cc2c(cc1CN(C)CCN1CCCCC1)OCO2 19532380 SGNUTOFDKFGZCF-UHFFFAOYSA-N 320.433 2.732 0 40 DFAB Cc1ccc(-n2cc(CN3CCCN4C(=O)CC[C@@]34C)cn2)cc1 19659069 WKJWFVKKKFLCFL-IBGZPJMESA-N 324.428 2.725 0 40 DFAB Cc1ccccc1-c1ccnc2nc(N3CCCC3)[nH]c(=O)c12 19819847 RQKAXBDWNGTEQN-UHFFFAOYSA-N 306.369 2.894 0 40 DFAB Cc1cccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c1 19937204 LIISQESXEOXHOP-UHFFFAOYSA-N 305.337 2.998 0 40 DFAB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccccc1F 154053296 JTFXQUZFTRZBFH-UHFFFAOYSA-N 322.405 2.997 0 40 DFAB Cc1cc(Br)c(OCC(=O)O)c(Br)c1 1621366 HSAWQOYEJFEMOK-UHFFFAOYSA-N 323.968 2.983 0 40 DFAB Cc1cc(OCC2CCN(C(=O)c3cccnc3)CC2)ccn1 1775995161 FYYNPESKOSTJNK-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB Cc1cc(-c2cc3nc(C4CCNCC4)cc(N)n3n2)c(C)o1 12337069 QIWQUNUEOFXEDT-UHFFFAOYSA-N 311.389 2.655 0 40 DFAB CC(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(C)=O)c1 194595 XXOCKOBQSMYTBC-UHFFFAOYSA-N 308.231 2.840 0 40 DFAB CCOc1cc(C=O)ccc1OCC(=O)N(C)c1ccccc1 20393779 CDFPCLDFQOOTQQ-UHFFFAOYSA-N 313.353 2.940 0 40 DFAB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccco1 101040110 JKDMOPUAHRXGLM-CKXPSTMWSA-N 310.309 2.598 0 40 DFAB Cn1nnnc1Sc1nc(-c2ccccc2)c2ccccc2n1 7785542 DDFKYQURGYEIGL-UHFFFAOYSA-N 320.381 2.972 0 40 DFAB CO[C@]12C=C[C@@H](CC1)c1c(OC(C)=O)ccc(OC(C)=O)c12 101964333 IDPSCUDVMCQJAF-YVEFUNNKSA-N 302.326 2.826 0 40 DFAB C[C@@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cncn1 29759861 ZWTSBJIPGOKHGF-JOYOIKCWSA-N 322.821 2.846 0 40 DFAB COC1=C[C@H]2O[C@H]3OC(=O)C[C@H]3[C@H]2C(OCc2ccccc2)=C1 1708663 LUMSFOHAOHIUOZ-DHXZDTOLSA-N 314.337 2.535 0 40 DFAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)ccc21 32708148 AUNMRFAVWRBRFX-GFCCVEGCSA-N 323.352 2.879 0 40 DFAB CC(=O)N1[C@H](c2ccc(C(F)(F)F)cc2)SC[C@H]1C(=O)O 2754400 DKYFIMSRVYKJDE-QWRGUYRKSA-N 319.304 2.753 0 40 DFAB Cc1csc(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)n1 21482943 JWYOQAHWJAOUSR-UHFFFAOYSA-N 320.462 2.780 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](C)C2)c(Cl)c1 4355242 DLKWQLBJRDEHDN-NSHDSACASA-N 323.824 2.969 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 2621582 DUCUPUGYVJUIKV-MRXNPFEDSA-N 317.772 2.839 0 40 DFAB CC1(C)SC(=S)N(CCc2ccccc2F)[C@H]1NO 496217 KCWBQBUWEHXMBC-LLVKDONJSA-N 300.424 2.785 0 40 DFAB CCN1CC2(CCC1=O)CCN(Cc1ccccc1OC)CC2 108525335 YDXAWOUDQGPHHD-UHFFFAOYSA-N 316.445 2.920 0 40 DFAB COc1ccc(CN(C(=O)c2ccc(OC)nc2)C2CC2)cc1 16235168 NAWBFELYPBAUHQ-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 57355969 QQRBDJGOXBLVCZ-DOTOQJQBSA-N 302.418 2.677 0 40 DFAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H]2CCC[C@@H]21 53376215 SLEKGGORQLWWRC-STQMWFEESA-N 323.776 2.505 0 40 DFAB C1CO[C@@H]2CCN(CC3CCOCC3)C[C@]2(COCC2CC2)C1 107752044 DVKOINZEOMRZBI-MOPGFXCFSA-N 323.477 2.711 0 40 DFAB O=C(O)C[C@@H](CC(=O)NCCc1ccccc1)c1ccccc1 57655487 RDSCEKSKHYGUDH-QGZVFWFLSA-N 311.381 2.994 0 40 DFAB COc1ccc(CC(=O)Nc2cccnc2-n2ccnc2C)cc1 47174342 AERGCUXMQBFMRQ-UHFFFAOYSA-N 322.368 2.766 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1cccnc1 24708814 POFGJHWFQCICRG-HNNXBMFYSA-N 324.352 2.886 0 40 DFAB CCO[C@@H]1C[C@@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 106854362 GBDVMUPKEWTBHU-FHLIZLRMSA-N 316.445 2.753 0 40 DFAB Cc1csc(N2CCN(CCc3ccccn3)C[C@H]2C)n1 106844324 JXPDCPHTPQOBFK-CQSZACIVSA-N 302.447 2.600 0 40 DFAB O=C(NCC1CC1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56490835 WOQQIPNBKXPCHP-INIZCTEOSA-N 302.374 2.618 0 40 DFAB O=C(CCSc1ccc(F)c(F)c1)NC1CCC(O)CC1 35113099 SVFIQHQXGCVULF-UHFFFAOYSA-N 315.385 2.867 0 40 DFAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1 22522209 URKNHEPRMWIZOI-LLVKDONJSA-N 315.325 2.799 0 40 DFAB CSc1nc(O)c(Cc2ccc(OC(C)C)cc2)c(=O)[nH]1 26952755 GNPUZJPYVBWVSI-UHFFFAOYSA-N 306.387 2.575 0 40 DFAB Cc1occc1C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12575684 YTELOOMZTCMHAD-OAHLLOKOSA-N 313.332 2.980 0 40 DFAB Cc1ccc(COC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1 12510410 TXUZWCOZQQCCHM-UHFFFAOYSA-N 322.364 2.908 0 40 DFAB CSCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 58196293 AIENJNXQHJLXBW-GFCCVEGCSA-N 303.431 2.940 0 40 DFAB O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cc[nH]n1 58179784 SWZWDUAVAKYXAH-UHFFFAOYSA-N 316.361 2.777 0 40 DFAB CC(C)C[C@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)O 2104226 IEHHJSCMIJOMGJ-ZFWWWQNUSA-N 306.406 2.806 0 40 DFAB biogenic Cn1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)cc1=O 58309548 BKDRZBZDKAJSMK-MRXNPFEDSA-N 302.418 2.960 0 40 DFAB CC1CCN(CCCCNC(=N)NCc2ccccc2)CC1 58329448 YCGIKKVYYBDTNO-UHFFFAOYSA-N 302.466 2.813 0 40 DFAB CCC[C@H](C)NC(=O)Nc1cccc(CN2CCOC2=O)c1 58439925 HQQQXHZWURURTA-LBPRGKRZSA-N 305.378 2.949 0 40 DFAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(Cl)cc1F 3222839 CSMROWFKJGKCKH-UHFFFAOYSA-N 312.753 2.843 0 40 DFAB COc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cn1 10990751 FPRZAKGBPCJNQF-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB Cc1ccc(F)cc1NC(=O)CNC(=O)NCc1ccccc1 12607439 WCHUWWYNTACRSU-UHFFFAOYSA-N 315.348 2.572 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCSc2ccccc21 45552704 ATAJSLDAPJYPOT-CQSZACIVSA-N 316.430 2.799 0 40 DFAB Cc1ccc(OCCNC(=O)c2ccc3c(c2)OCCO3)cc1 68755355 NRWGBOCLQGDRAS-UHFFFAOYSA-N 313.353 2.575 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)NC)[C@@H]1c1ccccc1OC 12800144 AMHMFUIOJLYKDG-YOEHRIQHSA-N 318.417 2.521 0 40 DFAB COc1cc(/C=C/C(=O)N(C)[C@H](C)C2CC2)cc(OC)c1OC 12815382 AUCXWWKDRQEDDM-UVMWJGKXSA-N 319.401 2.983 0 40 DFAB O=C(Nc1cccnc1)C1(c2ccc(F)cc2)CCOCC1 16985892 XRSCEUYIYXFVGS-UHFFFAOYSA-N 300.333 2.908 0 40 DFAB O=C(O)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl 38277530 BRZQYVXJAZMSBB-UHFFFAOYSA-N 300.101 2.667 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N 3885613 LCPHYSLYTZUQPU-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB C[C@H]1CN(Cc2ccc3c(c2)CCO3)CCN1CC(F)(F)F 92103074 FHYGNQFUIGJWHU-LBPRGKRZSA-N 314.351 2.690 0 40 DFAB CCc1nc(C[S@](=O)CCC(=O)Nc2ccccc2)cs1 64824094 GKNBRNNCQMVYCV-NRFANRHFSA-N 322.455 2.983 0 40 DFAB Cc1ccc(OCCCCNC(=O)N2CCOCC[C@H]2C)cc1 91606489 HPIWNHORRXUINL-MRXNPFEDSA-N 320.433 2.974 0 40 DFAB Cn1ccc(C(=O)NCC(C)(C)c2ccccc2Cl)cc1=O 69519720 HDJZHCKHXZTTQF-UHFFFAOYSA-N 318.804 2.746 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)OC 6358513 RTJRJJAYQDFMTN-APHBMKBZSA-N 318.417 2.951 0 40 DFAB CCOC(=O)Nc1ccc(Oc2cc(C)nc3ncnn23)cc1 69631119 ATBYIHNJYFEYQG-UHFFFAOYSA-N 313.317 2.793 0 40 DFAB COc1cc(-c2nc(CN3CCOC[C@H]3C)cs2)ccc1O 69663997 VVMNPOKBAYTOJC-LLVKDONJSA-N 320.414 2.745 0 40 DFAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC(C)(C)C 7095651 BJIVNQKQAGWZHH-LLVKDONJSA-N 318.446 2.659 0 40 DFAB COc1c(Br)cccc1CN[C@@H]1CCO[C@@H]1C 90230346 GMQJRRJKIDCUPS-BXKDBHETSA-N 300.196 2.725 0 40 DFAB CCCCNC(=O)COC(=O)c1cccc(-n2cccc2)c1 7358589 QBNCYNOBMGHIBT-UHFFFAOYSA-N 300.358 2.550 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1F 7472999 BYYRXYHJCXAJSN-UHFFFAOYSA-N 315.344 2.896 0 40 DFAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)c(OC)c1 67999853 JRVNPKJTWCDFRL-LBPRGKRZSA-N 300.358 2.932 0 40 DFAB C[C@H]1NCCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595811 NUPHTDGZNNRLKW-PRHODGIISA-N 304.287 2.715 0 40 DFAB Cc1nscc1C(=O)OCC(=O)Nc1ccc(F)cc1F 97080355 ZPPUQVSPWMERTL-UHFFFAOYSA-N 312.297 2.525 0 40 DFAB CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1NS(C)(=O)=O 97079817 JONYLFMVBTZQAN-NXEZZACHSA-N 316.398 2.818 0 40 DFAB NC(=O)CN(C(=O)/C=C/c1ccc(Cl)s1)C1CCCC1 71821120 IVEZLHXJHDRSQF-SOFGYWHQSA-N 312.822 2.671 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c1 71884454 BTUVVQLMZAWKRI-CQSZACIVSA-N 313.401 2.505 0 40 DFAB Cc1cc(C)n(C2CN(Cc3ccc(-n4ccnc4)cc3)C2)n1 71880744 UFKLGDYEBKJDEB-UHFFFAOYSA-N 307.401 2.743 0 40 DFAB CO[C@@H](C(=O)N1CCCC[C@@H]1c1ncon1)c1ccccc1 96500435 PESVQYKCJVGFOH-ZIAGYGMSSA-N 301.346 2.511 0 40 DFAB CCc1nnc(NC(=O)NC[C@@H](C)c2ncc(C)s2)s1 97112822 FZZBJURMIKFNOF-SSDOTTSWSA-N 311.436 2.791 0 40 DFAB O=C(O)c1ccccc1[C@H]1CCN(C(=O)CCc2cccnc2)C1 72166848 AFXKPRHEHSHQOH-HNNXBMFYSA-N 324.380 2.729 0 40 DFAB CCC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccco2)CCC1 84382051 IZRFVOLFAZVFAX-CYBMUJFWSA-N 304.390 2.581 0 40 DFAB COC(=O)CCCc1csc(NC(=O)c2cc[nH]c2C)n1 88364212 UUYZOXVPGSCEQA-UHFFFAOYSA-N 307.375 2.528 0 40 DFAB C[C@H]1OCC[C@H]1S(=O)(=O)CCCc1ccc(Cl)cc1 95973635 NJCOXEVCUZJIJC-BXUZGUMPSA-N 302.823 2.865 0 40 DFAB CSC[C@H](C)N(C)C(=O)c1cnn(C)c1-c1ccccc1 95985567 WXDCVIWFVHLDMR-LBPRGKRZSA-N 303.431 2.911 0 40 DFAB COc1cc(NC2CCN(C[C@@H]3CCCO3)CC2)cc(OC)c1 85869013 SOIGZSZPUBLZAA-INIZCTEOSA-N 320.433 2.759 0 40 DFAB Cc1nc([C@H](C)NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)cs1 89709057 XQTRXGCGNFMZQA-ZKYQVNSYSA-N 311.451 2.873 0 40 DFAB CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 89802053 VTCRVSJDNVECSS-HOCLYGCPSA-N 306.450 2.672 0 40 DFAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1ccc(F)cc1 36635756 HXYPCICZMFDZOB-CQSZACIVSA-N 302.280 2.709 0 40 DFAB CC(=O)NCCCOC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 77650549 NJYFKNNGCFWDCJ-WDEREUQCSA-N 313.756 2.652 0 40 DFAB O=C(OCC(Cl)(Cl)Cl)N(CCO)c1ccccc1 3851233 JALAMJGSQYIKGD-UHFFFAOYSA-N 312.580 2.992 0 40 DFAB biogenic O=C(O)CN(C[C@H]1CCCCN1Cc1ccccc1)C1CC1 79393461 QGJKUMXVUZDDBO-QGZVFWFLSA-N 302.418 2.590 0 40 DFAB Cc1nn(C(C)C)cc1C(=O)N(CCO)CC1CCCCC1 564099232 HGFPPMAVBCHRJB-UHFFFAOYSA-N 307.438 2.787 0 40 DFAB Cc1nnsc1-c1nnc2sc(-c3cccs3)nn12 79495322 KTZJWHISOHMXQT-UHFFFAOYSA-N 306.401 2.741 0 40 DFAB O=C(O)c1cnc(CN2CCC(Cc3ccccc3)CC2)nc1 217343631 HLLJICCSPYMRJO-UHFFFAOYSA-N 311.385 2.630 0 40 DFAB C[C@@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 78978665 UPUGMZQFJDITDW-CQSZACIVSA-N 320.433 2.932 0 40 DFAB C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)c1ccsc1 74962187 NKIODMMUZSHGMI-SWLSCSKDSA-N 304.415 2.884 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN(c3ncccn3)C2)n1 72379210 RTVDZJQFIKEISL-HNNXBMFYSA-N 320.400 2.750 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N[C@@H]1C=CCCC1 188370453 LIUWEMDGSHHZBG-YNEHKIRRSA-N 312.385 2.559 0 40 DFAB O=c1[nH]c(CNc2ccccc2)nn1Cc1cccc(Cl)c1 40267259 FSWRXRRHDKVXCB-UHFFFAOYSA-N 314.776 2.885 0 40 DFAB CCCn1c(C(=O)OC)nc2cc(C(=O)NCC)c(Cl)cc21 225730998 HUQXGDHEZUZFCA-UHFFFAOYSA-N 323.780 2.636 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1 222598110 MXAMLNOAWUVBOS-UHFFFAOYSA-N 311.341 2.783 0 40 DFAB CCn1nc(C)cc1CNC(=O)c1cc(-c2ccccc2)on1 226746613 AIOIBLPQTCMDES-UHFFFAOYSA-N 310.357 2.796 0 40 DFAB COCc1nc2n(n1)CCC[C@@H]2NC[C@@H](C)c1ccc(F)cc1 195573394 VXXOWXKJPSQPMT-DOMZBBRYSA-N 318.396 2.792 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)n2ccnc2)C12CCCCC2 81736948 LCNTZUGZBUVLAM-QLFBSQMISA-N 305.422 2.688 0 40 DFAB CN(CCc1nccs1)C(=O)c1cc(Cl)cc(F)c1N 225563027 XIJJADYFXKESNJ-UHFFFAOYSA-N 313.785 2.833 0 40 DFAB CC(C)N(C[C@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)c1nccn2ccnc12 195532335 VNULNQAIGJFCEF-RBSFLKMASA-N 310.401 2.792 0 40 DFAB Cc1cc(C)c(NC(=O)N2CCC[C@@H](n3ccnn3)C2)c(F)c1 575603830 OSTVRVKCELHBMZ-CYBMUJFWSA-N 317.368 2.903 0 40 DFAB O=C(NCCc1cnccn1)N1CC2(CCC2)[C@H]1c1ccccc1 576214425 SRRGFDYAZCIDHD-QGZVFWFLSA-N 322.412 2.956 0 40 DFAB O=C(c1ccco1)N1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96046264 UTJBGDJCXQSGLW-WCFLWFBJSA-N 304.371 2.728 0 40 DFAB Cc1noc(C)c1C[C@@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 96492719 RPIVBVGZULTJTK-RISCZKNCSA-N 323.437 2.821 0 40 DFAB CCOc1cc(-c2nc([C@H](N)c3ccccc3)n[nH]2)ccc1OC 95533490 XAMIRCFLMWZGOL-MRXNPFEDSA-N 324.384 2.927 0 40 DFAB CSC[C@](C)(O)CNC(=O)CCc1ccc(Cl)s1 96414705 KWZQHBPZWQZZPB-GFCCVEGCSA-N 307.868 2.564 0 40 DFAB CCOc1cc(Cl)ccc1C(=O)N1CCC[C@@H]([C@H](C)O)C1 96497112 AAWJPLOGZMMTLJ-NWDGAFQWSA-N 311.809 2.972 0 40 DFAB O=C(OCCOc1cccnc1)c1coc(-c2ccccc2)n1 96442254 CWUXBFBIULOSLL-UHFFFAOYSA-N 310.309 2.972 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 251437805 AJCDZTJICCJYOS-CAEXGNQWSA-N 320.458 2.742 0 40 DFAB CNc1ncccc1CN1CC2(CO[C@H](Cc3ccccc3)C2)C1 257328002 XDTDAVPXUALKSR-GOSISDBHSA-N 323.440 2.957 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@@H]2CCCN2C)n1 257237264 HFUOYSSJFRFALZ-KRWDZBQOSA-N 324.428 2.824 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1cnccn1 257255874 KJFZOVDKQMCXGG-QGZVFWFLSA-N 321.384 2.580 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)n1 257311111 UHZLJJRHXATRJA-ZDUSSCGKSA-N 316.405 2.924 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cncs3)C2)cn1 257204500 AUXQMYHWADDGSA-AWEZNQCLSA-N 301.415 2.941 0 40 DFAB CO[C@H]1CCN(C(=O)CCc2ccc(F)cc2)C[C@@]12CCCO2 257235102 GWLCROAOCNVLBC-WMZOPIPTSA-N 321.392 2.555 0 40 DFAB C[C@@]1(c2ccccc2)CN(C(=O)c2cc(Cl)no2)CCO1 585140416 DDNQDAPDRGOOOP-HNNXBMFYSA-N 306.749 2.716 0 40 DFAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cnn(C)c3)C2)c1 681547330 COYZLOADMVTMAU-OAHLLOKOSA-N 312.417 2.506 0 40 DFAB O=C(NCc1ccc(F)cc1)Nc1ccc(-n2cccn2)nc1 48140407 CIWKZZCSFZJSSL-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB CCNC(=O)NC1CCC(OC(=O)c2ccc(F)cc2)CC1 58160223 JLFHOYHLWGSADO-UHFFFAOYSA-N 308.353 2.613 0 40 DFAB O=C(NCc1ccsc1)N1CCCN(c2ccccn2)CC1 95940486 JTGFYJBHXMNDOI-UHFFFAOYSA-N 316.430 2.565 0 40 DFAB CN(CCO)C(=O)NCc1ccccc1Sc1ccccc1 95982105 RYIKSIUDYKKQEF-UHFFFAOYSA-N 316.426 2.972 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)COc2ccccc2C)CC1 97379303 UGPDTJHOIRBUCC-OOHWJJMZSA-N 304.434 2.799 0 40 DFAB C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CC1(C)OCCO1 96437325 HKMNSKSDVAASPB-GFCCVEGCSA-N 311.809 2.788 0 40 DFAB CC(C)[C@@H](C(=O)N1CCCCC1)n1cnc2ccccc2c1=O 5245964 ZBOBWPRQLCFWJR-INIZCTEOSA-N 313.401 2.606 0 40 DFAB O=C(c1ccco1)N1CCC(n2c(=O)oc3ccccc32)CC1 12184587 SHRXPUHPPYVQKQ-UHFFFAOYSA-N 312.325 2.665 0 40 DFAB COc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(F)cc2)c1 13084105 YCWPPIKVPZOEAU-UHFFFAOYSA-N 319.288 2.550 0 40 DFAB CC(=O)Nc1nc(CC(=O)N[C@H](C)c2ccccc2)cs1 17242148 FLONSEOWASQMLZ-SNVBAGLBSA-N 303.387 2.521 0 40 DFAB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)[C@H](c1ccccc1)C2 18168414 SBDMJDUDXQFJHP-GOEBONIOSA-N 303.365 2.824 0 40 DFAB O=C([C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 18182245 NJNFWBMXZALZDN-YVSFHVDLSA-N 318.461 2.674 0 40 DFAB O=C(Nc1ccncc1)c1ccnc(O[C@@H]2CCSC2)c1 225721285 GKHFRLQQLKZQRR-CYBMUJFWSA-N 301.371 2.613 0 40 DFAB CCOC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225731611 KINYBERSYYWRRB-JTQLQIEISA-N 304.268 2.710 0 40 DFAB CCCCn1nc(C(=O)NCCC(C)C)c2ccccc2c1=O 2622388 OTWPWTZZZSXOEN-UHFFFAOYSA-N 315.417 2.973 0 40 DFAB CCc1n[nH]c(SCC(=O)N2c3ccccc3CC[C@@H]2C)n1 11717994 ZSQADFZMZIDXDX-NSHDSACASA-N 316.430 2.827 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)C(C)C 32038114 XIUKMYPVTDVPSM-UFBFGSQYSA-N 302.827 2.739 0 40 DFAB Cc1cccc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)c1C 891456652 JJBMLAXXRYJZTA-UHFFFAOYSA-N 324.472 2.848 0 40 DFAB Cc1cccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)n1 238951131 WYGCHONMIYLZSS-CYBMUJFWSA-N 318.323 2.962 0 40 DFAB COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 4326828 RCGGIPXUVITGDY-MRVPVSSYSA-N 320.399 2.506 0 40 DFAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2)cc1C 9571289 QHGGWUYWKJXFGZ-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cc1ccc2c(CC(=O)Nc3nccs3)cc(=O)oc2c1 9704953 JSFIKYLGWQDPED-UHFFFAOYSA-N 300.339 2.739 0 40 DFAB CCOc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 9830068 KHRLHDBLWJRYDM-UHFFFAOYSA-N 323.352 2.654 0 40 DFAB COC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729655 KKOPSUXISNRSKR-CFVMTHIKSA-N 309.793 2.606 0 40 DFAB CC(C)(C)c1nccc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)n1 2298176277 TVPYCDSPCDAOCP-ZIAGYGMSSA-N 300.450 2.695 0 40 DFAB CCCCCCN[C@@H](CC(=O)Nc1cccc(F)c1)C(=O)O 5258682 KSAFDHQBOYSHSN-AWEZNQCLSA-N 310.369 2.777 0 40 DFAB Fc1ccc(-c2cc(CNCc3ccco3)c3nnnn3c2)cc1 72392348 YPWOPVKKFCKDHI-UHFFFAOYSA-N 323.331 2.813 0 40 DFAB C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)C[C@@H](C)O1 40463124 QKMPHDPPXWUXEP-MGPQQGTHSA-N 308.447 2.521 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 40554136 MLQLYKXWRQSDAA-NVXWUHKLSA-N 314.429 2.829 0 40 DFAB Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 240238 QLEGWPDWXNOEIY-CABCVRRESA-N 323.396 2.808 0 40 DFAB biogenic O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)C1[C@H]2CCC[C@H]12 101576172 ZVMDFRCUJJXRNT-WOPDTQHZSA-N 306.356 2.706 0 40 DFAB Cn1nc(NC(=O)C(F)(F)F)c2ncc(-c3ccccc3)nc21 1635714 NVDWJYBLSPXECH-UHFFFAOYSA-N 321.262 2.531 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 32817073 RGQIAJFBXVOAIR-CABZTGNLSA-N 303.280 2.941 0 40 DFAB CCCCn1c(SCC(=O)N(C)C)nnc1-c1cccs1 4161510 PTVKPKXTMBCCMS-UHFFFAOYSA-N 324.475 2.987 0 40 DFAB O=c1c(=NNc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 4499533 NPGDAAPXVUIISL-UHFFFAOYSA-N 319.147 2.670 0 40 DFAB CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4794881 GUILWQHLLVHRFG-PKIAMQTDSA-N 301.342 2.547 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)C[S@@](=O)C2 6498241 WYHNDMBHGRSFMC-NRFANRHFSA-N 323.443 2.714 0 40 DFAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1 7986125 HNEWDIRDNMEKDZ-UHFFFAOYSA-N 313.353 2.946 0 40 DFAB O=C(CCc1cccnc1)NCCc1ccc(-n2cccn2)cc1 22200256 XRRVBZWXGUWSSS-UHFFFAOYSA-N 320.396 2.559 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 75602738 ZAHWWVWAUISMED-CQSZACIVSA-N 318.446 2.671 0 40 DFAB COC(=O)c1ccc(NCc2coc(-c3ccccc3)n2)nn1 76063546 IREVKKAEJKQVEZ-UHFFFAOYSA-N 310.313 2.530 0 40 DFAB Cc1ccccc1CN1CCC(C(=O)NCc2cccnc2)CC1 9062904 LHDMPVBXASEGBO-UHFFFAOYSA-N 323.440 2.918 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1c[nH]ccc1=O 47672206 OVUKOEAIWLIBNJ-UHFFFAOYSA-N 324.380 2.855 0 40 DFAB Cc1nn(C)cc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 76067084 CBZJAJVVCAUCPQ-CQSZACIVSA-N 315.442 2.983 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)on1 106108368 HEVDXFIWXIRIAO-GDBMZVCRSA-N 320.364 2.699 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1O 12567989 NXNLHBCSNBJPJD-BETUJISGSA-N 305.374 2.647 0 40 DFAB CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 25129014 CMZOPYMMFPVCDY-JTQLQIEISA-N 314.341 2.664 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccccc1 25765738 PGSMQURXMKEXES-UHFFFAOYSA-N 305.399 2.657 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc(C2CC2)cs1 25563204 OYYHNBIJYGKTBL-UHFFFAOYSA-N 304.419 2.942 0 40 DFAB CN(C)C(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 108533901 VHQFZXJPOFUZNX-QAPCUYQASA-N 304.409 2.906 0 40 DFAB C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@@H]1N(C)C 78895639 LVZHGJSFKXMLOM-NHYWBVRUSA-N 317.820 2.910 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 78895635 AELMALYIYGXQEV-DIFFPNOSSA-N 317.408 2.566 0 40 DFAB COc1ccc(C(=O)Nc2ncccc2OC)cc1OC(F)F 58177643 SCMAEVIVRHQUJA-UHFFFAOYSA-N 324.283 2.953 0 40 DFAB CC(=O)N[C@H](CC(=O)N(C)Cc1ccco1)c1cccs1 44894307 VJKLKBKTHRAZRB-CYBMUJFWSA-N 306.387 2.567 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccnc2)c(C)c1 44915152 IKZDSOLJLYDMJE-CYBMUJFWSA-N 320.414 2.747 0 40 DFAB O=C(NCCCn1ccnc1)NCc1csc2ccccc12 44946481 PXXZIEOMSCRFNI-UHFFFAOYSA-N 314.414 2.987 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 58365232 XCFUMRVXTXZGPP-BBWFWOEESA-N 316.445 2.709 0 40 DFAB Cc1nc(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)cs1 45325614 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DFAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 44868137 PBSYSYLFXYWPQP-AWEZNQCLSA-N 307.365 2.560 0 40 DFAB c1cc(-c2noc(CN3CCC[C@@H](N4CCCC4)C3)n2)cs1 48236182 YNDCHTROZIKPRY-CQSZACIVSA-N 318.446 2.858 0 40 DFAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 58245207 IOMDFJQXZPVOFK-KRWDZBQOSA-N 309.413 2.724 0 40 DFAB CNC(=O)c1ccc(OCc2noc(-c3cccs3)n2)cc1 58246216 STHKVGFHCFJBAJ-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB O=C(NCCCn1ccnc1)N[C@@H]1CCSc2ccccc21 44946426 NNKNXLYJIIAPBU-CQSZACIVSA-N 316.430 2.810 0 40 DFAB CCCCc1noc([C@@H](C)N2CCC(NC(=O)C(C)C)CC2)n1 44948934 XDAKCOHWJXVPKD-CYBMUJFWSA-N 322.453 2.710 0 40 DFAB O=C(Nc1ccc(CCO)cc1)c1cc2ccccc2oc1=O 58343738 WRVYQXQZIDOHPT-UHFFFAOYSA-N 309.321 2.580 0 40 DFAB Cc1ccc(NC(=O)COC(=O)[C@H](O)c2ccccc2)cc1C 28296487 RTFOSJAOIJVFPU-QGZVFWFLSA-N 313.353 2.519 0 40 DFAB CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 11377664 FHUGQKJVFMUKLT-LPHOPBHVSA-N 324.380 2.577 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(F)cc1)C2=O 3563713 BIEJZKYZUAOSAC-PIGZYNQJSA-N 318.348 2.509 0 40 DFAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12978925 VENHMAPLEMOFRJ-UHFFFAOYSA-N 316.382 2.709 0 40 DFAB CN(Cc1cccc(OC(F)F)c1)c1ncnc2[nH]ncc12 62580926 GJBYRHJYNAIFKZ-UHFFFAOYSA-N 305.288 2.591 0 40 DFAB COc1ccc2[nH]c(=O)c(CNCCc3ccccc3)cc2c1 13566546 UFJIFRQUPHFKBQ-UHFFFAOYSA-N 308.381 2.869 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1c(F)cccc1F 5079091 UNHQSOZEBCTOBE-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 39987691 SPUNZFPEIREIBP-VXGBXAGGSA-N 305.809 2.826 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1 69899142 ODXGWPRWSXMZEK-MSOLQXFVSA-N 315.461 2.880 0 40 DFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2)C1=O 5218616 SBXULMVREYKIQC-QGZVFWFLSA-N 316.307 2.932 0 40 DFAB CN(CC(F)(F)F)C(=O)CNC1(c2ccc(F)cc2)CCC1 69950935 ULPIBPSWPBVTPW-UHFFFAOYSA-N 318.314 2.815 0 40 DFAB C[C@@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(Cl)cn1 5657893 FIZAAVJBIRVICJ-SECBINFHSA-N 324.789 2.909 0 40 DFAB CCn1c(SCC(=O)N[C@H](C)C(C)C)nnc1-c1ccco1 6851192 UAIHCGKHAJHXOP-LLVKDONJSA-N 322.434 2.811 0 40 DFAB O=C(NCc1ccncc1)NCc1coc(-c2cccs2)n1 8746862 ZMSFCTXHHFWJKL-UHFFFAOYSA-N 314.370 2.798 0 40 DFAB COc1ccccc1CCNC(=O)[C@]1(C)CC1(Cl)Cl 5937995 SILQMOXHBLDYGZ-ZDUSSCGKSA-N 302.201 2.938 0 40 DFAB CCO[C@@H]1CCCN(C(=O)Nc2cc(OC)cc(OC)c2)C1 67557289 AZJMRQDVWVKYAP-CYBMUJFWSA-N 308.378 2.737 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)s1 7387473 NIUNGQJNXZFRAS-UHFFFAOYSA-N 320.414 2.884 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 15831458 VEDLPBHVPBBMPN-HNNXBMFYSA-N 302.374 2.711 0 40 DFAB COc1ccc(-c2csc(CNC(=O)[C@@H]3CCCN3)c2)cc1 80956401 XVJDKWUMVPTFNK-INIZCTEOSA-N 316.426 2.792 0 40 DFAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 7970167 ARNHBYBHKQRDGA-CQSZACIVSA-N 312.369 2.884 0 40 DFAB CO[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1 91042977 RJHCMXQNCRJQTG-NEPJUHHUSA-N 303.449 2.601 0 40 DFAB Cc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1C 8021823 WJYWCGDETMOZIB-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB CCc1nc(CCNC(=O)Cc2ccc(OC)cc2)sc1C 69351717 LXTXKCOVLBISEM-UHFFFAOYSA-N 318.442 2.924 0 40 DFAB CCc1nn(C)cc1CNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 96008142 OUNQXVWPIABUOS-NOLJZWGESA-N 304.438 2.703 0 40 DFAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2OC)cc1 19736177 CHQKBRBHZYIMKF-UHFFFAOYSA-N 300.358 2.857 0 40 DFAB CCCc1ccccc1NC(=O)N1C[C@H](C(N)=O)CC[C@H]1C 97034136 SADWITSHPGFWCS-TZMCWYRMSA-N 303.406 2.757 0 40 DFAB FC(F)(F)c1ccnc(N2CCCC[C@H]2Cn2cccn2)n1 71859589 LVIPVEKCWXWRFP-NSHDSACASA-N 311.311 2.751 0 40 DFAB CCCc1nc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)no1 72299896 ODYGSJABVASVBT-GFCCVEGCSA-N 317.393 2.662 0 40 DFAB C[C@@H](C(=O)N(Cc1ccccc1)C1CCCCC1)S(C)(=O)=O 71903487 VSDIUYGZIXDHID-AWEZNQCLSA-N 323.458 2.781 0 40 DFAB CCC1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC1 84257736 OPFWQHNYPMDFBP-KRWDZBQOSA-N 316.445 2.584 0 40 DFAB Cc1ccc(C(C)C)cc1OCc1nc(N)nc(N(C)C)n1 9691035 YRNDMLVKELZTLZ-UHFFFAOYSA-N 301.394 2.531 0 40 DFAB Nc1nc(N)nc(CSCc2ccc(Cl)cc2Cl)n1 9690376 VRYVTBWEXPUZKK-UHFFFAOYSA-N 316.217 2.776 0 40 DFAB CNc1nc(CNC(=O)Nc2cc(C(C)(C)C)on2)cs1 84241181 BVULQGGOQJZVBA-UHFFFAOYSA-N 309.395 2.792 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1 408707492 NODXHCNIMOLZEN-IIAWOOMASA-N 302.418 2.601 0 40 DFAB C[C@H]1CCCC[C@@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 97107898 BXBHRVRXMFTSDV-JKSUJKDBSA-N 324.465 2.651 0 40 DFAB c1ccc([C@H]2CCCN(Cc3cc4n(n3)CCNC4)CC2)cc1 72171717 KGUCVGHVBPIMSR-KRWDZBQOSA-N 310.445 2.756 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 79024780 DQWJHNYXIHXGIF-RBUKOAKNSA-N 324.424 2.889 0 40 DFAB O=C(Cn1c2c(sc1=O)CCCCC2)N1CCCCCCC1 84544074 NWOCLJVKEPLEML-UHFFFAOYSA-N 322.474 2.971 0 40 DFAB CC(=O)c1csc(C(=O)N[C@@H](CCO)c2cccs2)c1 95445773 UMVVNMYUQRLNCQ-NSHDSACASA-N 309.412 2.866 0 40 DFAB C[S@](=O)c1ccc(NC(=O)COC2CCCCC2)cc1F 95448196 KNYKCQBAEDDNPA-OAQYLSRUSA-N 313.394 2.851 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H](O)c1ccccc1 95427357 GKYGVJLSSCMRIG-JKSUJKDBSA-N 303.402 2.718 0 40 DFAB COCc1ncc(-c2noc(C=C3CCC(C)CC3)n2)c(N)n1 95942979 MQPNHANYTFZSDX-UHFFFAOYSA-N 315.377 2.849 0 40 DFAB CC(=O)Nc1ccc(C(=O)CSc2nc(C(C)C)n[nH]2)cc1 9949963 NPXIOFIOQCHNNK-UHFFFAOYSA-N 318.402 2.862 0 40 DFAB Cc1cccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1Cl 89688785 IBTKOOXOPSZDDJ-AAEUAGOBSA-N 321.808 2.923 0 40 DFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H]1CCO 69249593 IQRIFYSOJQOEMB-RHSMWYFYSA-N 322.424 2.582 0 40 DFAB CCCCOc1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1 126113973 WEKUPTXCZBVODN-UHFFFAOYSA-N 314.389 2.974 0 40 DFAB COc1cccc(C2(C(=O)OCCC(=O)N(C)C)CCCC2)c1 66730100 FJKFGTBWONCZHX-UHFFFAOYSA-N 319.401 2.529 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)[C@H](C)OCC2CC2)cc1 60323865 IHJZWKVDWMHZRV-KBPBESRZSA-N 305.418 2.900 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)NCc1cccc(C)c1 74923343 DPNPLOMTFRAABX-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB COCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 31038174 AWXMDBTYAJSJMU-MRXNPFEDSA-N 309.369 2.609 0 40 DFAB Cc1csc(C(C)(C)NCC(=O)N(C)Cc2ccc(C)o2)n1 72663106 WIUGLZGFGOTVKW-UHFFFAOYSA-N 321.446 2.836 0 40 DFAB O=C(O)C1=Cc2ccccc2O[C@]1(OCCF)C(F)(F)F 217810099 YNPJHSQXEYHEPB-LBPRGKRZSA-N 306.211 2.792 0 40 DFAB Cc1n[nH]c(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1-c1ccccc1 71282994 LJGNJTRSHOOMFC-CHWSQXEVSA-N 313.357 2.680 0 40 DFAB Cc1cc(NC(=O)NCCOCC(F)F)c2ncccc2c1 189756409 NBXDECVRMOGCAY-UHFFFAOYSA-N 309.316 2.946 0 40 DFAB COC(=O)C1(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CC1 225717529 ZBEYYOQLQRWLMA-HZPDHXFCSA-N 311.381 2.787 0 40 DFAB Cc1nc(C(=O)N(C)C[C@H]2Cc3ccccc3CO2)cs1 225787856 IXMDIVMZDOEGCH-CQSZACIVSA-N 302.399 2.665 0 40 DFAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N(C)C 226277028 ZMTABERQOCOEHC-UHFFFAOYSA-N 318.295 2.820 0 40 DFAB Cc1ncccc1NC(=O)[C@]1(C)CC(c2cccs2)=NO1 226749831 XEMCRENEEGHXDM-HNNXBMFYSA-N 301.371 2.973 0 40 DFAB CC(C)(C)SCc1cccc(NC(=O)[C@H]2COCCN2)c1 225489042 VKBSSWCXANSYMI-CQSZACIVSA-N 308.447 2.645 0 40 DFAB CO[C@H](CNC(=O)c1cnc(C)cn1)c1cccc(Cl)c1 81324516 IIMJGJZZOJDFKZ-CQSZACIVSA-N 305.765 2.556 0 40 DFAB CCN1CCN(c2cc(NC(=O)C(C)C)c(Cl)cc2N)CC1 45891813 XMPLGUIVTBYRCL-UHFFFAOYSA-N 324.856 2.659 0 40 DFAB c1ccc(-n2ncc3c(N4CCc5ccccc54)nnnc32)cc1 49029818 ZHJJUHJKTDTQEH-UHFFFAOYSA-N 314.352 2.905 0 40 DFAB C[C@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccoc1 195559782 BYMNIUWDKBXCAY-JSGCOSHPSA-N 308.378 2.525 0 40 DFAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccccc3)c2c1 225753623 FLQMDIRYSPVSSZ-UHFFFAOYSA-N 320.392 2.935 0 40 DFAB CC[S@@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccs2)C1 195535173 UEICVSPOHCMFKA-POEZALAKSA-N 314.476 2.627 0 40 DFAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1nccs1)COC3 96112834 BVFKDJHPWOVTJG-LBPRGKRZSA-N 314.414 2.662 0 40 DFAB biogenic,in-vitro Cc1nnc(C[C@@H]2C[C@H]3CN(Cc4sccc4C)C[C@H]3O2)o1 96209677 FIYRDJRIPYVTHE-MELADBBJSA-N 319.430 2.580 0 40 DFAB COc1cc(NC(=O)N(C)[C@H](C)Cc2ccsc2)ncn1 96501627 KJGSORHPJTYAJD-SNVBAGLBSA-N 306.391 2.642 0 40 DFAB Cc1ncccc1CNc1ccc(OCC(=O)N(C)C)cc1F 96486302 JRCBKGGQXJNEOP-UHFFFAOYSA-N 317.364 2.608 0 40 DFAB CCO[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H]1Cc1cnn(C)c1 96200623 ZFVSPCWWIOQHOI-QZTJIDSGSA-N 317.408 2.781 0 40 DFAB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1nccnc1N 96432948 JOCOJYGKCQUXNR-LSDHHAIUSA-N 310.401 2.776 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccncc1 96230819 HLTWWERQVNHOJW-UHFFFAOYSA-N 308.341 2.633 0 40 DFAB COc1ccc([C@@H]2C[C@@H](C)Nc3nc(SC)nn32)cc1OC 95471716 UCDIVYDBAFEKSY-KOLCDFICSA-N 320.418 2.811 0 40 DFAB c1csc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)c1 96046319 NECVWDMPOPMNTI-VBNZEHGJSA-N 301.415 2.890 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257224496 FCAUDPPCAASNCE-LBPRGKRZSA-N 317.364 2.652 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257267282 MGPYROVEYNNSTP-ZDUSSCGKSA-N 315.442 2.908 0 40 DFAB Cc1cc(S(=O)(=O)N2CCCc3ncccc32)c(C)s1 295148358 BAZDETKRZVNACD-UHFFFAOYSA-N 308.428 2.901 0 40 DFAB CO[C@H]1CSC2(C1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 575406551 YXESDZDNRDSTMZ-UZZMVUAXSA-N 321.486 2.936 0 40 DFAB CC(C)[C@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)C1CC1 663214742 GZESWTDUIHZWAG-HNNXBMFYSA-N 304.438 2.938 0 40 DFAB Cc1cc(CN2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)no1 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1776000953 REFLNCSDPRFQPL-CQSZACIVSA-N 315.373 2.618 0 40 DFAB Cc1cc(C)n(CCNC(=O)NCc2ccc(Cl)cc2)n1 44159083 GSPJBTSUJYEBBM-UHFFFAOYSA-N 306.797 2.653 0 40 DFAB CC(=O)c1ccc(N2CCN(Cc3c(C)noc3C)CC2)cc1 57292093 DZGCABUHLPPYMF-UHFFFAOYSA-N 313.401 2.816 0 40 DFAB Nc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)c1 20194016 JZPFYDTXQWZCIB-UHFFFAOYSA-N 304.733 2.581 0 40 DFAB in-vitro C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2 40488985 JOVBZHHDGKBFOW-VIFPVBQESA-N 324.306 2.734 0 40 DFAB CC(C)Oc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 40542288 LECSEXXZSZICNE-GFCCVEGCSA-N 316.357 2.824 0 40 DFAB Cc1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1Cl 1281498 YQTPLKMNPILZDP-UHFFFAOYSA-N 324.793 2.578 0 40 DFAB COc1cccc(C2(O)CCN(C(=O)c3cccs3)CC2)c1 1347840 BTWMTBVDSUGLAY-UHFFFAOYSA-N 317.410 2.881 0 40 DFAB CCn1cc(CNCCc2ccc(OC)c(OC)c2)c(C)n1 2536454 AJPPSIDOYREVGV-UHFFFAOYSA-N 303.406 2.561 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc2c(c1)OCCO2 32862796 UGEUBJFXMANWBW-UKRRQHHQSA-N 318.417 2.878 0 40 DFAB C[C@]12CC[C@H]3[C@@H]([C@@H](O)C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 6067787 VFPMCLQMAUVEHD-MJDURXGESA-N 306.446 2.930 0 40 DFAB CC(C)n1c(N)nnc1S[C@H](C)C(=O)Nc1cccc(F)c1 76065450 JRYAYOCWQDLEOH-SECBINFHSA-N 323.397 2.700 0 40 DFAB CN(C(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 20458990 CWPMOYGPKDFRSP-UHFFFAOYSA-N 310.397 2.795 0 40 DFAB CCN(CC)CCNC(=O)c1cc2ccccc2nc1Cl 3168275 GKMBRXUTSSCQHK-UHFFFAOYSA-N 305.809 2.960 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCCc1c[nH]c2ccccc12 12507006 SJJABLRRBMYGMC-UHFFFAOYSA-N 324.409 2.779 0 40 DFAB O=C(CN1C(=O)COc2ccccc21)c1cccc(Cl)c1 1328541 JGQGEDMVERARQZ-UHFFFAOYSA-N 301.729 2.948 0 40 DFAB COC(=O)COc1cccc(NC(=O)Cc2ccccc2F)c1 24948867 REKMTNQGEQPPGE-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB Cc1cccn2c3c(c(=O)nc12)[C@H](c1cccs1)CC(=O)N3 1432937 IKCPIEJADUTMOB-JTQLQIEISA-N 311.366 2.539 0 40 DFAB COc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12586417 MDIBNKWUEVRPRK-BETUJISGSA-N 305.374 2.642 0 40 DFAB C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1 3246966 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O=C(NC[C@@H](O)c1ccccc1)Nc1ccn(-c2ccccc2)n1 48248482 OCURCCYTZOBJKW-MRXNPFEDSA-N 322.368 2.727 0 40 DFAB COc1cc(CCNC(=O)c2ccncc2)ccc1OC(F)F 12776243 QHKMPXGLIGPKKT-UHFFFAOYSA-N 322.311 2.664 0 40 DFAB COc1ccc(-c2cc(CSc3nncn3C)on2)cc1 11148113 DYUGOTZTOBFZCA-UHFFFAOYSA-N 302.359 2.771 0 40 DFAB CC(C)CCCNC(=O)CN1C(=O)CSc2ccccc21 29139981 MZXQTVQFHYIGGB-UHFFFAOYSA-N 306.431 2.678 0 40 DFAB O=C(CSc1nnc(-c2cccs2)o1)NC1CCCC1 3475128 OIQAVJVIVKUWIL-UHFFFAOYSA-N 309.416 2.949 0 40 DFAB Cc1nn(C)c2sc(C(=O)Nc3ccccc3C(=O)O)cc12 12990850 MMWSFBFQHIUHKO-UHFFFAOYSA-N 315.354 2.894 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=CC[C@@H]2C(=O)O)cc1 3893698 LFYCTHKJSJNWEN-LSDHHAIUSA-N 301.342 2.885 0 40 DFAB Cn1c(=O)oc2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc21 69812887 RBTKIQHAAZXDFU-UHFFFAOYSA-N 307.309 2.865 0 40 DFAB CN(CCc1ccncc1)Cc1ccccc1N1CCOCC1 69561898 HRLJISCUZQRFTN-UHFFFAOYSA-N 311.429 2.593 0 40 DFAB C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 17323154 RROPPHJUWJRYTO-CYBMUJFWSA-N 317.410 2.722 0 40 DFAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 5263151 FBDNDPPQEFBFJC-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB Cc1ncc(CN2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)s1 65492853 GMTZAQROBZPOMD-HZMBPMFUSA-N 301.415 2.819 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)Cc1ccsc1 6423677 CDXBIQRUOHPBEW-UHFFFAOYSA-N 319.382 2.790 0 40 DFAB Cc1noc(C)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 69740875 FGQDFIYARBINMX-GFCCVEGCSA-N 309.753 2.800 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)NCc2ccco2)[C@@H]1C 4676854 BTADFBUICSNRSF-UMVBOHGHSA-N 306.406 2.617 0 40 DFAB C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(F)cc1F 66173605 NLNXJLQGUUBAFS-GXTWGEPZSA-N 323.387 2.906 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc(-n2cccn2)cc1 8724852 AQHYUNYUZRQVHM-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)o1 110715524 YLZQNORTXCRHFK-FAAHXZRKSA-N 320.389 2.592 0 40 DFAB O=C1C[C@H](C(=O)N2CCc3ccccc32)CN1c1ccc(F)cc1 4815875 CULYBUOOAWWSGE-AWEZNQCLSA-N 324.355 2.768 0 40 DFAB O=C(COc1cccc(N2CCCC2=O)c1)NC1CCCCC1 7063984 FYOIQNMAAVUEHX-UHFFFAOYSA-N 316.401 2.641 0 40 DFAB COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1OC 7718944 XTXGYBMNDBZLQF-UHFFFAOYSA-N 314.320 2.545 0 40 DFAB CCOc1ccc2nc(S[C@H](C)C(=O)NC(C)C)[nH]c2c1 7901096 DRESMBWVTXDJAV-SNVBAGLBSA-N 307.419 2.967 0 40 DFAB COc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)c(F)c1 9315246 RXCKPBLRIGLJAN-UHFFFAOYSA-N 317.316 2.536 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@@H](O)c2ccc(C)c(C)c2)no1 84177702 MAPNHMFTZLRYQR-HZPDHXFCSA-N 301.390 2.865 0 40 DFAB CCCCO[C@@H]1C[C@H](N[C@@H]2CCCn3nc(C)nc32)C1(C)C 97034732 MAHBWFURQZQBCM-QLFBSQMISA-N 306.454 2.995 0 40 DFAB O=C(O)c1ccc(C(=O)Nc2ccccc2N2CCCC2)o1 97039154 XLTFDWKMAPWTBX-UHFFFAOYSA-N 300.314 2.830 0 40 DFAB COc1c(C)cnc(CN2CCC[C@H]2c2cnn(C)c2)c1C 72255172 KCCGWUQOUFNHFT-INIZCTEOSA-N 300.406 2.778 0 40 DFAB COc1ccc2c(c1)N(C(=O)c1ccnc(Cl)c1)CCO2 96431828 NIPVPZXRQCRICN-UHFFFAOYSA-N 304.733 2.783 0 40 DFAB CN(CCc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 71907754 JHPCENOQCCYPFY-KRWDZBQOSA-N 303.427 2.501 0 40 DFAB Cc1nccc(CNC(=O)NCC2(c3ccccc3C)CC2)n1 71924631 MDPZYZWONLLFEH-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB CSCc1c(C(=O)O[C@@H]2CCOC2=O)oc2ccccc12 9786496 PJGKVERBDSFHBH-GFCCVEGCSA-N 306.339 2.768 0 40 DFAB Cc1noc([C@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n1 84281644 BLAJCDRAVRSKFK-JTQLQIEISA-N 317.414 2.836 0 40 DFAB CC(C)(C)CC(C)(C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 69664700 WHKYDHGMLKBXCX-BDJLRTHQSA-N 312.479 2.771 0 40 DFAB C[C@@]1(CNC(=O)Nc2nnc(C(F)F)s2)CCCS1 84673489 XWDMJDVODGEIDE-JTQLQIEISA-N 308.379 2.883 0 40 DFAB Cc1cccnc1NC(=O)[C@@H]1CCCN(Cc2cscn2)C1 95407291 SIVUJVYFVXUUOT-CYBMUJFWSA-N 316.430 2.697 0 40 DFAB O=C(Nc1ccc2c(c1)CNCC2)c1ccn(-c2ccccc2)n1 95971615 OOVJEOGEPNZWIO-UHFFFAOYSA-N 318.380 2.770 0 40 DFAB COCCn1cc(NC(=O)Nc2cc(F)c(F)cc2F)cn1 95958721 ANWPYADWKWKOBF-UHFFFAOYSA-N 314.267 2.591 0 40 DFAB Cn1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1=O 95954514 RJXJOJHJLUQKLK-MRXNPFEDSA-N 311.385 2.624 0 40 DFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCCCC1)C2=O 9950437 HCUNGRDDGIPXRN-GUYCJALGSA-N 307.438 2.567 0 40 DFAB Cc1cc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)n(C)n1 75142855 ABLPESTYXQMCKV-UHFFFAOYSA-N 307.423 2.859 0 40 DFAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc2ccccc12 75108088 PQGYSEBKBHDZHI-AWEZNQCLSA-N 319.426 2.887 0 40 DFAB COc1cc(CCC(=O)N[C@H](C)c2cccnc2)cc(OC)c1 22692869 LJNBQFRWFSXGFI-CYBMUJFWSA-N 314.385 2.909 0 40 DFAB COCCOCCNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 63789558 ZQNMNPKSQWNILO-MRXNPFEDSA-N 320.433 2.761 0 40 DFAB Nn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 71327702 VOLAUHHCROZQNC-UHFFFAOYSA-N 301.346 2.542 0 40 DFAB Cc1cc2c(cc1CN1CC[C@](O)(c3ccccc3)C1)OCO2 36743621 AQEJFWIPAGKVCM-LJQANCHMSA-N 311.381 2.817 0 40 DFAB Cc1c2ncn(Cc3cccc4ccccc34)c(=O)c2nn1C 32648723 OBLCIRIBZNCVDF-UHFFFAOYSA-N 304.353 2.640 0 40 DFAB Cc1ccc(CNC(=O)c2c(C(F)(F)F)nn(C)c2C)cc1 44203813 ZKSVSKPSFTVBIZ-UHFFFAOYSA-N 311.307 2.986 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccccn1 81622829 LXVDBYFOFBIKNV-HNNXBMFYSA-N 309.413 2.881 0 40 DFAB O=S(=O)(NCC1CCC1)c1ccc(F)c(C(F)(F)F)c1 48978840 OFBNOZOBCDUSSB-UHFFFAOYSA-N 311.300 2.923 0 40 DFAB NC(=O)c1cnc(Cl)nc1Nc1cccc(C(F)(F)F)c1 223885873 HTQFOWKYIINDFL-UHFFFAOYSA-N 316.670 2.991 0 40 DFAB CCOC(=O)[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1 193865524 XKZGHXIMUYXQLT-CYBMUJFWSA-N 307.733 2.967 0 40 DFAB CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)c2ccc(F)cc21 96432421 FDRLZTHKNXYFDH-UHFFFAOYSA-N 316.380 2.874 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cc(C)on2)C1 96193103 DHMFTHHPKYUGJH-MRXNPFEDSA-N 315.329 2.513 0 40 DFAB CC(C)c1cc(C(=O)N2CCc3ccccc3[C@@H]2CO)no1 97097561 ARQBEPXDDREPIT-HNNXBMFYSA-N 300.358 2.530 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C12CCC2 96423901 YPXJXZYCZFHGHJ-UONOGXRCSA-N 305.422 2.716 0 40 DFAB Cn1ccc(C(=O)N2CC(C)(C)Sc3ccccc32)cc1=O 96461677 LLRPMBKIDQDXNP-UHFFFAOYSA-N 314.410 2.916 0 40 DFAB CC(C)c1nccn1CC(=O)N1CCC[C@H](C(F)(F)F)C1 96500038 UARPKKXSJNEBKF-NSHDSACASA-N 303.328 2.807 0 40 DFAB COC(=O)c1ccc(Cl)c(CN(C)Cc2cnccn2)c1 97237262 ZRGCHXAZPPNKPF-UHFFFAOYSA-N 305.765 2.549 0 40 DFAB Cc1nn(C)c2sc(C(=O)O[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc12 96416273 XWCHMDVLSKEDAX-TVYUQYBPSA-N 320.414 2.914 0 40 DFAB CC(C)COC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 96024379 AFBRROUIRUKIKT-GFCCVEGCSA-N 300.399 2.768 0 40 DFAB COc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1Cl 97232969 RSCGYUQDFPVTDF-CQSZACIVSA-N 305.761 2.812 0 40 DFAB CCOC(=O)N1CCC(N[C@H]2CCO[C@H]2c2ccccc2)CC1 96494311 ULLAQURMYMVEQO-IRXDYDNUSA-N 318.417 2.727 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccs3)C2)n1 257203104 AOSHKUBYJWPZPX-CYBMUJFWSA-N 303.431 2.739 0 40 DFAB CNc1cc([C@H]2CCCN(C(=O)c3scnc3C)C2)ccn1 257286315 PLCGNBRFYVKTEM-ZDUSSCGKSA-N 316.430 2.908 0 40 DFAB CNC(=O)COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 257336523 YOVIJOVHCWPTDB-DETPVDSQSA-N 319.401 2.839 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2ccc(C)nc2O)ccn1 257223417 DXGXSUPLGHDMMC-CQSZACIVSA-N 312.373 2.510 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(Cc2nccn2C(C)C)C1 257332187 XWEKAJOGEHUWRY-HNNXBMFYSA-N 301.438 2.950 0 40 DFAB CO[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1 96388035 BGYANCCAGWJEMY-INIZCTEOSA-N 317.316 2.672 0 40 DFAB COc1ccc(C2CCN(c3ccc4nncn4n3)CC2)cc1 574367183 JDSKDRQXKXAMFH-UHFFFAOYSA-N 309.373 2.517 0 40 DFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl 49098822 VTCGNQUHWIPANR-RNFRBKRXSA-N 321.229 2.781 0 40 DFAB CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccsc2)c1 69530420 FZSGGKNESSFILW-NSHDSACASA-N 318.398 2.710 0 40 DFAB O=C(OCCN1CCCCCC1=O)c1cnc2ccsc2c1 96441897 CGQZNUQMSQTUJH-UHFFFAOYSA-N 318.398 2.856 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@@H](O)[C@@H](C)C3)[nH]c12 12146561 LMUPROAQYGBVAM-GXTWGEPZSA-N 300.402 2.936 0 40 DFAB C[C@@H](NC(=O)c1nccnc1N)c1cccc(C(F)(F)F)c1 12825393 ZDSYSCDWUXYFMZ-MRVPVSSYSA-N 310.279 2.569 0 40 DFAB COC(=O)C1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 13001367 RRUKSRUVXVCODB-LLVKDONJSA-N 321.442 2.898 0 40 DFAB C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1cccc(N2CCCC2)c1 158598959 SNFQJTODAXEKQP-DMZKTXOQSA-N 323.462 2.518 0 40 DFAB COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)NCC4)OCO3 6018921 JIFBCUOVFPCZEW-NSHDSACASA-N 311.337 2.539 0 40 DFAB endogenous,in-man Cc1csc2c(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)ncnc12 1889111330 MZDASSJUQIEXGA-BETUJISGSA-N 314.458 2.920 0 40 DFAB CC(C)Cc1ncc(-c2nccnc2C[C@H]2CCNC2)s1 1848355622 UVDHOFNUDJRNAS-GFCCVEGCSA-N 302.447 2.951 0 40 DFAB O=C(NC[C@]1(O)CSCc2ccccc21)[C@H]1CC=CCC1 2087122782 IUQKQEOAJFWAQZ-GUYCJALGSA-N 303.427 2.594 0 40 DFAB CCc1nccn1CC1CN(c2ncnc3c(C)csc23)C1 2087141190 XAUWJQWZNCNRDB-UHFFFAOYSA-N 313.430 2.895 0 40 DFAB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1cccnc1)C(=O)O 5258853 QWASCNVATZKQDE-UKRRQHHQSA-N 321.421 2.669 0 40 DFAB COC(=O)[C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 208571115 HRILMARPRGMJSD-AWEZNQCLSA-N 303.358 2.598 0 40 DFAB CCOC(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1 12440458 WOALJPYCYILKSH-UHFFFAOYSA-N 311.407 2.703 0 40 DFAB O=C1C[C@@H](C(=O)NCCc2ccsc2)c2ccc(F)cc2N1 40509488 QIZOWZNWDZHVOS-CYBMUJFWSA-N 318.373 2.672 0 40 DFAB CNC(=O)Cn1ccc2ccc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)cc21 101417314 PXPZYHYTWKQAQW-DUVNUKRYSA-N 323.396 2.538 0 40 DFAB O=C(NCc1nccn1CCc1ccccc1)N1C[C@H]2CC[C@H]1C2 101508305 INIGVFQGLXFAMV-IRXDYDNUSA-N 324.428 2.820 0 40 DFAB Nc1c(-c2nnnn2-c2ccc(F)cc2)cnc2ccccc12 119491 IHEINPAVCCJDIB-UHFFFAOYSA-N 306.304 2.599 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)NC(=O)c1ccccc1 138097 OPWKXHLJBUWRMB-UHFFFAOYSA-N 311.366 2.612 0 40 DFAB O=C(Cn1ccc2ccccc21)NCCc1nc2ccccc2[nH]1 59856350 FWPJSRGAPZSABM-UHFFFAOYSA-N 318.380 2.877 0 40 DFAB Cc1cccc([C@H](CC(=O)NC2CCCCCC2)NC(N)=O)c1 32795577 USMYQTSBPMQVPY-INIZCTEOSA-N 317.433 2.934 0 40 DFAB O=C1CCNc2c(Br)cc(Br)cc2N1 3672521 YNSWUQBMEAHTRI-UHFFFAOYSA-N 319.984 2.966 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)[C@H]3CCCO3)cs2)cc1 41132662 UKIVGVKDJJEXSW-OAHLLOKOSA-N 316.426 2.956 0 40 DFAB COc1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 4850490 WTIJLHKTAAECDM-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB C[C@H](NC[C@@H](c1ccco1)N(C)C)C(=O)NCC1CCCCC1 21762915 TXNHEXGSPGYYRI-HOCLYGCPSA-N 321.465 2.557 0 40 DFAB O=C(c1coc(=O)c(Br)c1)N1CCc2ccccc21 521456 WMLRPTAJNWNJTB-UHFFFAOYSA-N 320.142 2.605 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3CC3)CC2)C1(C)C 42003783 LNAPCWVNPBCIBH-CVEARBPZSA-N 318.461 2.742 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)CO2 22595128 RQRGQPMRVNIVBS-CYBMUJFWSA-N 324.380 2.769 0 40 DFAB CCN1C=C(c2csc(N)n2)[C@H](c2ccccc2)NC1=O 12324459 QIJBGKNXZPYULD-ZDUSSCGKSA-N 300.387 2.853 0 40 DFAB O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1ccccc1 1393101 UASZOFQPEKXTOU-GFCCVEGCSA-N 308.380 2.824 0 40 DFAB CC(=O)c1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)s1 7818429 GRSLQPREMHKKRC-CQSZACIVSA-N 316.426 2.983 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC 25310095 XYHXKYMYUGNEGR-QGZVFWFLSA-N 312.369 2.908 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCCN2C 107135442 AGDLHZCQLCVFMO-XJKSGUPXSA-N 318.417 2.592 0 40 DFAB CC(C)=CC(=O)N1CCC2(CC1)CC(Nc1ncccn1)C2 108535888 YNAMWYUUZRDTIV-UHFFFAOYSA-N 300.406 2.626 0 40 DFAB Cc1cccc(-c2noc(CN3CC[C@H]4CCN(C)C[C@H]43)n2)c1 108382376 XVMADDGUAGBQAP-GDBMZVCRSA-N 312.417 2.571 0 40 DFAB COCCOc1ccc(NC(=O)N(C)Cc2ccsc2)cn1 57506125 NYTHKXGXUZWOQQ-UHFFFAOYSA-N 321.402 2.832 0 40 DFAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)C)CC1 58268549 INSFKCCYAFMISC-CQSZACIVSA-N 321.440 2.801 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc(C(C)=O)cc1 3348220 HKPDLLUUFTWCOR-UHFFFAOYSA-N 305.355 2.699 0 40 DFAB CN(Cc1ccccn1)C(=O)Cc1coc(-c2ccccc2)n1 58978098 FJPXDAGBKSMWFO-UHFFFAOYSA-N 307.353 2.938 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)c1cccc2cn[nH]c12 48235919 WPGJNKHLESHHPW-UHFFFAOYSA-N 310.357 2.675 0 40 DFAB Cc1ccc(NC(=O)CSc2nnnn2CC(C)C)cc1C 24831271 ZXTJPAFFOCPPDK-UHFFFAOYSA-N 319.434 2.677 0 40 DFAB Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)sc1C 12860977 NDJGFOSSGNFGAK-LBPRGKRZSA-N 303.383 2.935 0 40 DFAB Cc1noc([C@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)n1 69815495 YKGDUUWIJBMUTE-ATWMFIQVSA-N 321.402 2.665 0 40 DFAB Cc1sc2nc(CSC3=NCCS3)[nH]c(=O)c2c1C 12997032 KVNZXMCDECBJIZ-UHFFFAOYSA-N 311.457 2.937 0 40 DFAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1 13011714 BRPUHNCQKRAMPP-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB COCCC(=O)Nc1nn(Cc2ccccc2F)cc1Cl 28304506 FKIBLFAKPBBYEQ-UHFFFAOYSA-N 311.744 2.699 0 40 DFAB Cc1cccc(OCC(=O)N[C@H](CC(=O)O)c2cccs2)c1 13389184 USYKXGCXUBSTNS-CYBMUJFWSA-N 319.382 2.768 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 5002362 CRBOGZFRMLOLPQ-CYBMUJFWSA-N 313.353 2.807 0 40 DFAB Nc1nc(S[C@H]2CCOC2=O)nc2sc3c(c12)CCCC3 6108895 KHWQUBHJBAVBNX-VIFPVBQESA-N 321.427 2.560 0 40 DFAB O[C@@H](CNCc1cccc2c1OCO2)c1ccc(F)cc1F 65552535 MWYLWVYTZRKWKT-AWEZNQCLSA-N 307.296 2.517 0 40 DFAB Cc1cnc(S(=O)(=O)Cc2ccccc2OC(C)C)nc1 91575107 GXHXSQMMSGKKTA-UHFFFAOYSA-N 306.387 2.546 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 65605312 XMSCEXCLBWFTAP-CYBMUJFWSA-N 317.389 2.749 0 40 DFAB COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1F 113948590 CGLHACHEUIWYKA-UHFFFAOYSA-N 321.439 2.644 0 40 DFAB COc1ccccc1CC1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 69515460 DNWAYUMTBFRWHM-CZUORRHYSA-N 303.402 2.654 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2CCCC2)c1 5507577 QYJCUGJNQDTMRL-LBPRGKRZSA-N 303.358 2.950 0 40 DFAB Cc1ccc(CC(=O)NCCCNC(=O)c2cccs2)cc1 69558859 AEQCHZVSRXJXRC-UHFFFAOYSA-N 316.426 2.535 0 40 DFAB O=C(O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 5630865 UOJZQEWOLRNGQB-UHFFFAOYSA-N 302.157 2.930 0 40 DFAB CNC(=O)NC(=O)[C@@H](Nc1ccc(C)c(C)c1)c1ccccc1 8710522 HKSJWORAZSFKJX-INIZCTEOSA-N 311.385 2.912 0 40 DFAB O=S(=O)(Cc1nn(-c2ccccc2)c2c1CCC2)CC1CC1 92862138 VLOXYQQMEFUQPV-UHFFFAOYSA-N 316.426 2.686 0 40 DFAB C[C@H](O)c1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2[nH]1 67964758 YQWLSRGFTXKVPZ-JTQLQIEISA-N 316.382 2.687 0 40 DFAB CS[C@H]1CC[C@@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1 96008742 LMTYNNVPXMOSRI-CVEARBPZSA-N 322.474 2.783 0 40 DFAB Cc1ncccc1N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 97038304 SAHQJECEEISJFR-GFCCVEGCSA-N 319.430 2.813 0 40 DFAB C[C@H](CCc1ccccc1F)NCC(C)(C)S(C)(=O)=O 97017214 GLIADCZMBAGRPI-GFCCVEGCSA-N 301.427 2.560 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1O 9500290 NXNLHBCSNBJPJD-CHWSQXEVSA-N 305.374 2.647 0 40 DFAB COc1ccc(CC[C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1 71836962 VAGVOEXCYSLHQK-KBXCAEBGSA-N 312.413 2.833 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)no1 72291360 SOKFLTBYDBIYRD-JQWIXIFHSA-N 305.403 2.949 0 40 DFAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NC1CCN(C)CC1 113970717 ZDCLRQYZPFSFGC-INIZCTEOSA-N 304.434 2.671 0 40 DFAB Cn1cc(CNCCc2ccc(F)cc2)c(-c2cccnc2)n1 97159723 FIRYENNYESMTBM-UHFFFAOYSA-N 310.376 2.954 0 40 DFAB COC(=O)[C@@H](c1ccc(F)cc1)N(C)Cc1c(C)noc1C 72514284 SQBFBSKIXZGHSW-OAHLLOKOSA-N 306.337 2.777 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1 28084319 RYRHBKCRVIVXEY-GOEBONIOSA-N 308.447 2.800 0 40 DFAB CCOC(=O)c1cc(NC(=O)C[C@@H](C)c2ccc(F)cc2)[nH]n1 95465005 FBXSJZYLSMUPGS-SNVBAGLBSA-N 319.336 2.858 0 40 DFAB C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccsc1 95420902 NAELKNJHMIUNSG-HIFRSBDPSA-N 312.504 2.607 0 40 DFAB Cc1cnc(CNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)s1 95404625 LULUXZCUYPAQTI-NSHDSACASA-N 307.423 2.789 0 40 DFAB COc1cc(NCCNC(=O)c2ccc(Cl)o2)cc(OC)c1 95434363 BUEKDWCZQBCCRJ-UHFFFAOYSA-N 324.764 2.792 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)on1 95954245 WSLOUZRFQZPXHA-CQSZACIVSA-N 323.356 2.541 0 40 DFAB CC(C)N1CCO[C@H](c2noc(Cc3ccc(F)cc3)n2)C1 95999273 RMGCWLPRVSWWKB-AWEZNQCLSA-N 305.353 2.581 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[C@H](CN(C)C)C3)cc2o1 95943857 AUKWEFMSTFERDT-GFCCVEGCSA-N 302.378 2.552 0 40 DFAB OCCCc1cn(Cc2ccc(Cl)cn2)nc1C(F)(F)F 95944885 MTCXAGXGJLMCHS-UHFFFAOYSA-N 319.714 2.924 0 40 DFAB CN(C)c1cccc(CNC(=O)Nc2c(F)cc(F)cc2F)n1 95981891 SRYBQXHKTFELGC-UHFFFAOYSA-N 324.306 2.887 0 40 DFAB CN1CC[C@H](Nc2ccc3cccc(Br)c3n2)C1=O 89375028 WWAJKHPQVCSURE-NSHDSACASA-N 320.190 2.640 0 40 DFAB Oc1cccc([C@@H]2CN(c3nnc(C4CC4)s3)CCO2)c1 89602234 XTNHSZZXPUACPW-ZDUSSCGKSA-N 303.387 2.699 0 40 DFAB Cc1cn2c(CN(C)C(=O)[C@@H]3CC[C@@H](C)O3)c(C)nc2s1 89743099 OCAGKYGJRNCZHA-RNCFNFMXSA-N 307.419 2.539 0 40 DFAB COC(=O)c1nc(NC(=O)c2ccccn2)sc1CC(C)C 72402016 CYURRNYGGVSJLN-UHFFFAOYSA-N 319.386 2.776 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 79038989 ZVODFUAQHAPPJI-CQSZACIVSA-N 308.353 2.601 0 40 DFAB CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2c1CCC2)C1CC1 531110813 OEUUUPLOXMGSEJ-KRWDZBQOSA-N 323.444 2.779 0 40 DFAB CCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)o1 33629968 GLNZSMRYOUPXEF-UHFFFAOYSA-N 305.359 2.565 0 40 DFAB CC(=O)c1nnn(-c2ccc(F)cc2)c1NCc1ccco1 72346380 AWGPLHFUINFYMJ-UHFFFAOYSA-N 300.293 2.814 0 40 DFAB CCOC(=O)C1=NN(c2ccc(C(C)C)cc2)[C@](C)(C(=O)O)C1 71979618 BSWJDQNLMZEMEL-KRWDZBQOSA-N 318.373 2.783 0 40 DFAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1O 71281957 FZSPKRQHIXEKLA-SNVBAGLBSA-N 317.345 2.595 0 40 DFAB COc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1Cl 74932274 VOUBKUVPYZOSSR-UHFFFAOYSA-N 318.807 2.914 0 40 DFAB COCCN1CCC[C@@H]1c1ccnc(-c2ccc(OC)cc2)n1 72355800 RPNJNZRJPCJSBP-QGZVFWFLSA-N 313.401 2.936 0 40 DFAB O=C(CCn1ncc2ccccc21)NCC[C@@H](O)c1ccccc1 72243119 AZSMFHBMRYLUAN-GOSISDBHSA-N 323.396 2.666 0 40 DFAB COCCn1cc(CC(=O)Nc2nccs2)c2ccccc21 79495565 ZFGHGCFVORSULX-UHFFFAOYSA-N 315.398 2.925 0 40 DFAB C[C@@H]1COCCN1C(=O)c1ccccc1OCc1ccncc1 562472942 WFKSFPLLZLPCCC-CQSZACIVSA-N 312.369 2.522 0 40 DFAB Cc1cccc2[nH]cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c12 40566504 JEWGAIHROWITPG-CYBMUJFWSA-N 318.373 2.997 0 40 DFAB COc1ccc(/C=C/C(=O)N[C@H](C)C(C)C)c(OC)c1OC 225186042 IRPYQVKJAOHPLJ-ZJNQMXKESA-N 307.390 2.886 0 40 DFAB CSC1(CNC(=O)NCc2nccn2CC(C)C)CCC1 194989132 ZIAHCZXGTZTLKO-UHFFFAOYSA-N 310.467 2.624 0 40 DFAB CC1=C(C(=O)O)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 44563688 NBHLEFZLICGZOP-VIFPVBQESA-N 300.141 2.956 0 40 DFAB CCc1oc2ccccc2c1C(=O)N1CCC[C@@H](C(=O)O)C1 190478957 HEHDAOIAZDNHNR-LLVKDONJSA-N 301.342 2.932 0 40 DFAB CN1C(=O)C2(CCN(Cc3cccnc3)CC2)c2ccccc21 96052496 LWQHPNOPVSMNDU-UHFFFAOYSA-N 307.397 2.592 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cccnc2)c2cc(Cl)ccc2O1 96428697 RKUPHYGFUMYFPB-SNVBAGLBSA-N 324.789 2.711 0 40 DFAB Cc1cc(-c2nnc3sc(-c4ccsc4)nn23)n(C)n1 95477559 UBDDOMYEODNCOH-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB CN1CCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)CC1 96183932 JNMQZVLVSVDAOM-UHFFFAOYSA-N 304.321 2.599 0 40 DFAB Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 96406996 QWHVMELCKJXRRO-HNNXBMFYSA-N 312.373 2.753 0 40 DFAB COC(C)(C)C[C@H](C)NC1CCN(Cc2ccncc2)CC1 96476634 QKZDQIFENZKSRD-HNNXBMFYSA-N 305.466 2.839 0 40 DFAB CO[C@@H]1CCN(c2ncc(F)cn2)C[C@@H]1Cc1ccccc1 96207467 VTOIYGZIEMBVLQ-GOEBONIOSA-N 301.365 2.700 0 40 DFAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cnn(C)c1 96470808 NIMHMMVBAZWGRB-UHFFFAOYSA-N 323.400 2.659 0 40 DFAB c1ccc(NC[C@@H]2CCC[C@@H]3CN(c4ncccn4)C[C@@H]32)nc1 96081935 MQNYOAMWQMYPGW-ARFHVFGLSA-N 309.417 2.836 0 40 DFAB Cc1ccsc1C(=O)N1CC[C@]2(CCC[C@@H](CN(C)C)O2)C1 96216891 BWSOJBLXOLZKPX-WMLDXEAASA-N 322.474 2.772 0 40 DFAB O=C(c1ccoc1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039816 SZWOHEMPYIMQPC-SJLPKXTDSA-N 319.401 2.718 0 40 DFAB CCOC(=O)N1CCC(N[C@H](C)[C@H]2COc3ccccc32)CC1 96494329 XATQDFBIJBEMSH-CZUORRHYSA-N 318.417 2.762 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)n1 257210825 BWIMJUFPDANIKN-LLVKDONJSA-N 321.812 2.608 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCCC[C@H]2c2ccn[nH]2)o1 257339959 ZDXPROCUWYINOA-ZDUSSCGKSA-N 317.393 2.603 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1ccn[nH]1 257282335 OTIYYLKDTHXBMG-INIZCTEOSA-N 323.400 2.972 0 40 DFAB CS(=O)(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 49335928 FKGHVDLZYATYSL-GFCCVEGCSA-N 318.236 2.840 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c2[nH]ncc2c1 69420747 MJYFTPQTPUNTOO-CQSZACIVSA-N 309.373 2.545 0 40 DFAB C[C@@H](c1ccc(Br)cc1)N1CCS(=O)CC1 71900543 XELZHGHTAIZHPI-JTQLQIEISA-N 302.237 2.574 0 40 DFAB COC[C@](C)(CNC(=O)c1ccc(Cl)c(Cl)c1)OC 1888909501 JOVITAOFAOMZRM-ZDUSSCGKSA-N 306.189 2.775 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(C)c1 5391217 BLEQYQUJVJIGBR-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB Fc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19293895 QRLPSYUQCRKAFM-KRWDZBQOSA-N 312.392 2.599 0 40 DFAB Cc1ccc(C)c(OCC(=O)NCCC2CCN(C)CC2)c1 156366848 UOSMUWJCXKTUEA-UHFFFAOYSA-N 304.434 2.530 0 40 DFAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1 49544994 KJWFZAUCKPZFNX-CYBMUJFWSA-N 317.370 2.631 0 40 DFAB O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 9908945 JNLZJCRSEYDXDQ-UHFFFAOYSA-N 318.716 2.646 0 40 DFAB C[C@@]1(CO)CCCN1C(=O)c1ccc(Oc2ccccc2)cn1 562525365 BOPJKSHSGGOLNR-SFHVURJKSA-N 312.369 2.861 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccco1)N(C)C 3410843 UKLPWYXYCCXPGO-CYBMUJFWSA-N 322.792 2.974 0 40 DFAB O=C(COC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc[nH]1 16796833 ZMOXCDPIKRANDC-LLVKDONJSA-N 319.744 2.645 0 40 DFAB O=C(NC1CCCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888846810 VVBXVJBFCAWVRA-UHFFFAOYSA-N 324.812 2.625 0 40 DFAB C[C@H](NC(=O)c1nccnc1N)c1ccc(C(F)(F)F)cc1 30115117 DLHVJCJWYHXROS-QMMMGPOBSA-N 310.279 2.569 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 10825093 GZBJWIUNSGFRSK-UHFFFAOYSA-N 324.380 2.785 0 40 DFAB CCn1nccc1C(=O)/N=c1/sc2cc(C)cc(C)c2n1C 101063688 CAEVGGIVCWFRQU-FBMGVBCBSA-N 314.414 2.814 0 40 DFAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCNC1 72394517 PMMGRYDZWGSQOZ-SFHVURJKSA-N 314.385 2.817 0 40 DFAB Cc1ccc(-n2[nH]c(C(=O)N(C(C)C)C3CCC3)cc2=O)cc1 96444786 PWXXRHOEQCPSIL-UHFFFAOYSA-N 313.401 2.877 0 40 DFAB COCc1ccccc1CNS(=O)(=O)c1cc(F)ccc1C 32418652 BLCWYQQNDZCAEJ-UHFFFAOYSA-N 323.389 2.759 0 40 DFAB CCOC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 415389 ISWKFARQHOIYJT-UHFFFAOYSA-N 305.355 2.927 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)o1 69419354 NXWDHVYWXCVPBP-HVHJFMEUSA-N 318.417 2.612 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1F 1357977 XFYWTKXMRZBBIT-CYBMUJFWSA-N 314.364 2.779 0 40 DFAB CC[C@]12C[C@@]1(C(=O)OC)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]12 1576627 MUSGCDBEXYWBFP-LZQZEXGQSA-N 324.380 2.567 0 40 DFAB Nc1ncnc(N)c1NC(=O)c1cccc(-c2ccccc2)c1 1750910 HHCBKSGZRQUYPM-UHFFFAOYSA-N 305.341 2.560 0 40 DFAB CCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1c(F)cccc1F 69432415 DDYHFXPXMFDLCK-UHFFFAOYSA-N 322.359 2.765 0 40 DFAB CC(C)NC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCO1 32829128 PHXVDQKINNVYDU-LBPRGKRZSA-N 306.362 2.552 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(C)ccc2[nH]1 4696052 VXXDIMLZDOTRJQ-HNNXBMFYSA-N 302.374 2.794 0 40 DFAB COc1ccc(Cc2nnc(NC3CCCCC3)nc2O)cc1 6009010 HCLNNAVQVCABIP-UHFFFAOYSA-N 314.389 2.921 0 40 DFAB COc1ccc([S@@](=O)c2coc3ccccc3c2=O)cc1 6411518 VBPLLEKXWJNYSX-NRFANRHFSA-N 300.335 2.968 0 40 DFAB COc1ccc(C(=O)N[C@H](C(=O)NCCC(C)C)C(C)C)cc1 2630191 KIYWVMZOASNLQU-INIZCTEOSA-N 320.433 2.612 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)s1 32903774 KIKZZJSLBGJWIS-UHFFFAOYSA-N 319.338 2.558 0 40 DFAB CC(=O)OC[C@H](C)Cc1cc2c(cc1Br)OCO2 8613575 HNIQDLCYAMWCHA-MRVPVSSYSA-N 315.163 2.920 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NCCC(=O)Nc2ccccn2)C1(C)C 52969136 DFPACSAVIAYNAB-CZUORRHYSA-N 315.417 2.765 0 40 DFAB CCCCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)NC)cc1 33210321 VUTCFBCPHFRSBT-INIZCTEOSA-N 318.417 2.606 0 40 DFAB CCC1=NN(C(=O)c2cccc(F)c2)[C@](O)(C(F)(F)F)C1 527338 RQZWDQIAGPNXEK-GFCCVEGCSA-N 304.243 2.689 0 40 DFAB Cc1csc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 57356079 WDRGGULOEUJEMG-SNVBAGLBSA-N 311.407 2.790 0 40 DFAB O=C(Nc1cccc(Cl)c1)NC1CCN(C(=O)C2CC2)CC1 22966228 JVNVXGOTIQDNEY-UHFFFAOYSA-N 321.808 2.863 0 40 DFAB C[C@H](CNc1ncc(C(N)=O)cc1Cl)N(C)c1ccccc1 54059353 JXSMXVBHTXHJSX-LLVKDONJSA-N 318.808 2.771 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc(C2CC2)n1 76057968 WHUQQZABAYKQJN-XHDPSFHLSA-N 319.474 2.757 0 40 DFAB c1ccc(CCN2CCN(c3cnc4ccccc4n3)CC2)cc1 26138523 RVQUKUVPHDGBTH-UHFFFAOYSA-N 318.424 2.995 0 40 DFAB COc1ccc(NC(=O)Nc2ccn(Cc3cccnc3)n2)cc1 57265160 PGPXIARBWTYIGW-UHFFFAOYSA-N 323.356 2.979 0 40 DFAB Nc1ccc(-c2n[nH]c(-c3cncc(Br)c3)n2)cc1 26463056 MAULDXRLUSYKHN-UHFFFAOYSA-N 316.162 2.878 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100395590 QZIGTFQURZURKZ-NWCWSAAOSA-N 322.408 2.672 0 40 DFAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H](O)CC(C)C 77712172 MRLKWPHBMQPUNT-ZDUSSCGKSA-N 318.377 2.574 0 40 DFAB O=C(NCc1cn2ccccc2n1)N1CCc2sccc2C1 44895151 OYCJELSJNWHACV-UHFFFAOYSA-N 312.398 2.664 0 40 DFAB Cc1ccc([C@](O)(CCNC(=O)N2CCCC2)C(F)(F)F)o1 44909178 NTAZWRXANRTCIE-CYBMUJFWSA-N 320.311 2.533 0 40 DFAB CN1CCC(CCNC(=O)COCc2ccccc2Cl)CC1 58354882 KNONKGODJFHCTP-UHFFFAOYSA-N 324.852 2.705 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)CSc1ncccn1 3266834 OWIGMHSQZGYSLQ-CYBMUJFWSA-N 301.415 2.706 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 3256582 LNLJHLOGOWRKOZ-JTQLQIEISA-N 321.402 2.752 0 40 DFAB CCNc1nc(S[C@H](C)C(=O)N(C)C)nc2ccccc12 11109240 CGEOBKOREZJUBI-SNVBAGLBSA-N 304.419 2.630 0 40 DFAB Cc1nc(C2(NC(=O)c3cnc4ccccc4n3)CCCC2)no1 48272728 TXIPILJPXIYQFQ-UHFFFAOYSA-N 323.356 2.521 0 40 DFAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2cnnn2)cc1 8428424 GTNDADMHHHTHON-UHFFFAOYSA-N 314.736 2.960 0 40 DFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 3610530 BAHGHLUTEJEKKL-LJQANCHMSA-N 322.364 2.645 0 40 DFAB O=C(O)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cccs1 13389120 SSRBLOJXIJDUEB-GFCCVEGCSA-N 307.346 2.762 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)CCCc2ccccn2)C1 69631926 UYGGTKUWWASNHD-KRWDZBQOSA-N 312.417 2.773 0 40 DFAB O=C(Cc1ccccc1)NCC[S@@](=O)c1ccc(Cl)cc1 4084542 QHHSPKCKLQDIDS-NRFANRHFSA-N 321.829 2.807 0 40 DFAB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(noc2C)C[C@]1(C)O 4177248 DWXONTTXPOFYOP-ZACQAIPSSA-N 303.333 2.766 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)c1c[nH]c2ccccc12 8519154 XSCKCKTUVGVLJV-UHFFFAOYSA-N 303.325 2.704 0 40 DFAB O=C(CCc1ccsc1)Nc1cccc(-c2noc(=O)[nH]2)c1 69777647 PGKCCWCYCKQROD-UHFFFAOYSA-N 315.354 2.663 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1 25859069 FBLQMYMPIZIAQE-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Fc1ccc(OCCCN2CCC[C@H](Cn3cncn3)C2)cc1 69773606 ALTOKSNTKPNGQK-HNNXBMFYSA-N 318.396 2.598 0 40 DFAB CCCC(C)(C)NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 65415525 WITQQDFHOMHXJG-UHFFFAOYSA-N 303.410 2.736 0 40 DFAB CCC[C@@H](c1ccccn1)N(C)C(=O)CCCOCCOC 65541543 VDPLXPJYWQGWEK-INIZCTEOSA-N 308.422 2.824 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccnc1 7147062 MHZCMWGZEBZVAS-CYBMUJFWSA-N 316.426 3.000 0 40 DFAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](C)c3ccccc32)cn1 96014054 SYWLVELALPYHHH-ZDUSSCGKSA-N 323.396 2.985 0 40 DFAB OCCn1ncc2c1CN(c1nc(-c3ccccc3)cs1)C2 67643450 SPDZGSPVKMGLKX-UHFFFAOYSA-N 312.398 2.519 0 40 DFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](C)O[C@H](C)C1 16332829 KVFJQGUOLLWFDD-VQMFRGLQSA-N 320.477 2.569 0 40 DFAB O=C(Cn1ccc2ccccc2c1=O)Nc1ccc(F)c(F)c1 8222835 NXVHKGHCKSJANM-UHFFFAOYSA-N 314.291 2.918 0 40 DFAB O=C(CSc1ncnc2ccsc12)NCc1ccco1 9385183 SSTFLIQYUWKDKC-UHFFFAOYSA-N 305.384 2.693 0 40 DFAB CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1 9469659 ZQIACONZMKNEKB-MRXNPFEDSA-N 309.369 2.862 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2csc(C)n2)c1 71866070 MGNAZTGMMZITEM-CYBMUJFWSA-N 304.419 2.651 0 40 DFAB C[C@H](C(=O)N1CCc2sccc2C1)N(C)Cc1cscn1 71828261 MPQUSGIZRKBGNK-LLVKDONJSA-N 321.471 2.610 0 40 DFAB Cc1c(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cnn1C 97047081 WWGSJEAOKHHEHZ-CYBMUJFWSA-N 322.815 2.890 0 40 DFAB O=C(COc1ccccc1O)Nc1ccn(-c2ccccc2)n1 97100803 YPIBINCYSGCXDM-UHFFFAOYSA-N 309.325 2.595 0 40 DFAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)COC)C2(C)C)no1 67889842 KWYMPEPFZDBHMT-DOMZBBRYSA-N 308.422 2.737 0 40 DFAB biogenic,in-vitro O=C(CCn1cccc1)N1CCN(c2cccc(Cl)c2)CC1 72306840 PKTCLJULEQZMJC-UHFFFAOYSA-N 317.820 2.880 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2cccnc12 78897997 KVZPDRMHNVACNE-KSSFIOAISA-N 323.440 2.971 0 40 DFAB Cc1nnc([C@@H](C)N(C)Cc2nccn2Cc2ccccc2)o1 72774364 XLUWYSGBRAUFRW-CYBMUJFWSA-N 311.389 2.816 0 40 DFAB c1cnc2nc(Sc3nnc(NC4CC4)s3)ccc2n1 95395428 KEPJSBCBLSNKIS-UHFFFAOYSA-N 302.388 2.602 0 40 DFAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H]1COc2ccccc21 95389988 IUTANADIKQDMKT-CQSZACIVSA-N 321.340 2.523 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@H](c1ccc(F)cc1)c1ccccn1 95395681 XRMDYZZAQAESON-MRXNPFEDSA-N 310.332 2.772 0 40 DFAB CCC[C@H]1CCCN(C(=O)CSc2cccc[n+]2[O-])CC1 84740696 NLNVVFYTTLLRTQ-AWEZNQCLSA-N 308.447 2.841 0 40 DFAB O=C(NC1CCC(C(F)(F)F)CC1)NC1(CCO)CCC1 95417082 QJQLUMQLTYDDCT-UHFFFAOYSA-N 308.344 2.712 0 40 DFAB NC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccon2)c1 95400246 OUHDEYJLLPEEKK-UHFFFAOYSA-N 321.380 2.976 0 40 DFAB O=C(/C=C/c1ccncc1)N[C@H](C(=O)O)c1ccc(Cl)cc1 95463958 ANZYCBSMDORUMG-IQHSHDKKSA-N 316.744 2.690 0 40 DFAB CC[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(F)cc1 95968153 CXHBHKHWDRHNRQ-IAGOWNOFSA-N 304.413 2.903 0 40 DFAB CC(C)CSCC(=O)N[C@H](CC(=O)O)c1cccs1 95949266 ANFYSQHVSZJQHN-SNVBAGLBSA-N 301.433 2.769 0 40 DFAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1ccc(N2CCCC2)nn1 75147680 HCADOTJKRALAIW-KGLIPLIRSA-N 302.422 2.583 0 40 DFAB CCOC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 409105845 LHYWXXRSPMEMMS-UHFFFAOYSA-N 320.418 2.651 0 40 DFAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O 409240544 QIXSPWRLZJOQAA-SDNWHVSQSA-N 313.332 2.919 0 40 DFAB Cc1ccc2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)n2c1 71476710 SZXVVLQTNBBMQW-UHFFFAOYSA-N 323.352 2.610 0 40 DFAB C[C@@H]1c2sccc2CCN1C(=O)Cn1nnc2ccccc21 1558151342 PTXGCOMMKRWXMB-LLVKDONJSA-N 312.398 2.639 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](c3n[nH]c4ncccc34)C2)n1 72369181 QYVHXTBPRTVJLZ-ZDUSSCGKSA-N 308.389 2.749 0 40 DFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2N3Cc2ccco2)Nc2ccccc21 72327424 YTMGEMWUZSXDMB-PZPSRYQVSA-N 309.369 2.568 0 40 DFAB CC(C)OCCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79360957 SOQGCCJKLMGBNG-HXUWFJFHSA-N 317.838 2.972 0 40 DFAB CCCCNC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 32837435 NRUKWUDYGNHPCJ-CQSZACIVSA-N 304.369 2.748 0 40 DFAB CN(C)c1ncccc1C(=O)Nc1cc2c(cc1Cl)OCO2 31713861 RGWSUJWBBFLYPT-UHFFFAOYSA-N 319.748 2.782 0 40 DFAB O=C(O)c1cc(O)n(-c2cc(C(F)(F)F)ccc2Cl)n1 217696399 LBBLRORCPCVFHM-UHFFFAOYSA-N 306.627 2.948 0 40 DFAB Nc1nn(-c2cccc(C(F)(F)F)c2)nc1Br 89262732 QYLRLIBTLUZFIK-UHFFFAOYSA-N 307.073 2.631 0 40 DFAB Cc1nc(SC[C@H]2CCCN(S(C)(=O)=O)C2)sc1C 85252121 XUSAWUPEYCNZTC-NSHDSACASA-N 320.505 2.524 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)NCCCn1ccnc1 47081084 HDHMFAYOSIONBH-CQSZACIVSA-N 303.431 2.711 0 40 DFAB O=C1SCCN1CCC(=O)N1CCC[C@H]1c1ccsc1 44940724 YHDBXUMDAIBURU-LBPRGKRZSA-N 310.444 2.971 0 40 DFAB CC[C@@H](c1cccc(Cl)c1)N1CCCN(CC(=O)O)CC1 86760344 SRLSSCCSBIONSI-HNNXBMFYSA-N 310.825 2.883 0 40 DFAB CCN(CC)CCOc1ccc(NC(=O)C(F)(F)F)cc1 225586499 JRKAKQJHBDCKAG-UHFFFAOYSA-N 304.312 2.908 0 40 DFAB O=S(=O)(c1ccccc1)[C@H]1[C@H](CO)[C@@H]1c1ccc(Cl)cc1 225659697 WVMDEDLCYIQWFS-PMPSAXMXSA-N 322.813 2.888 0 40 DFAB CCCc1ncc(C(=O)Oc2ccc(C(=O)NC)cc2)s1 96425021 BBOAWSMOLUIPMQ-UHFFFAOYSA-N 304.371 2.674 0 40 DFAB c1ccc(O[C@H]2COC3(CCN(Cc4ccoc4)CC3)C2)nc1 96106954 BBTGITVNXGQZMJ-MRXNPFEDSA-N 314.385 2.877 0 40 DFAB Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c(C(N)=O)c1C 96403805 ZVKLQYKADZAZLI-UWVGGRQHSA-N 304.371 2.799 0 40 DFAB CC(C)NC(=O)N1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 96201803 ZQJSCHSUITYLDU-MLGOLLRUSA-N 321.446 2.541 0 40 DFAB CCn1nc(C)c(CNC(=O)c2ccc(C(C)(F)F)nc2)c1C 578216592 MJCDMXUSOUOEIJ-UHFFFAOYSA-N 322.359 2.957 0 40 DFAB O=C(NC1CC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96087468 DTMUCUSRXNUCKM-ZWKOTPCHSA-N 314.429 2.971 0 40 DFAB COc1cccc([C@@H](O)C(=O)N(C)[C@@H](C)Cc2cccs2)c1 96487101 DNFYFXFFIDOKMV-BLLLJJGKSA-N 319.426 2.880 0 40 DFAB Cn1cc(CCCOC(=O)c2occc2Br)cn1 96459744 HNMSZZRMXSAJNV-UHFFFAOYSA-N 313.151 2.565 0 40 DFAB CC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2CCOC 96038507 SPEJHQCGCZPXKV-WMZOPIPTSA-N 320.433 2.662 0 40 DFAB CCc1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1C 91021475 VAFGNZSDUURDTL-UHFFFAOYSA-N 313.810 2.745 0 40 DFAB c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccco4)[C@@H]3C2)nc1 96250550 CZJZKUGXZYIEOE-USXIJHARSA-N 314.385 2.733 0 40 DFAB CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1 96491427 CKSXASAXHCTQLR-JOYOIKCWSA-N 320.311 2.781 0 40 DFAB C[C@@H]1CCC[C@H]1NC(=O)CSc1nc(-c2cccnc2)no1 96495973 WETNFFLRTLVVRF-ZYHUDNBSSA-N 318.402 2.529 0 40 DFAB Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1 95447589 OVMYIARHLPATNH-ZDUSSCGKSA-N 301.365 2.861 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC(c2cnccn2)CC1 257247770 JAJUPSOTWCAPHF-UHFFFAOYSA-N 306.369 2.978 0 40 DFAB C[C@@]12CCN(C(=O)CCc3cccc(F)c3)[C@@H]1CC[C@@H](O)C2 257206323 BCWOPNJFNCKNIK-NUJGCVRESA-N 305.393 2.910 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cnccn2)CC1 257263433 LPXLDVJDYNNKGV-UHFFFAOYSA-N 320.396 2.907 0 40 DFAB CN1CCC[C@@H](Cc2cnc(-c3cccc(C(=O)O)c3)cn2)C1 257230929 GENGXGMPBXPXGA-ZDUSSCGKSA-N 311.385 2.726 0 40 DFAB O=C(NCC[C@H](O)c1ccoc1)c1cccc(Br)c1 90612985 ZIHNLTWEOPCJHG-ZDUSSCGKSA-N 324.174 2.896 0 40 DFAB c1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccco2)C3)nc1 585103888 DMVCSAUNDLDFRK-MRXNPFEDSA-N 316.426 2.951 0 40 DFAB CCN(Cc1ccc(C(=O)NC2=NCCS2)cc1)C(C)C 58342836 RWPRKRFTOGNRSV-UHFFFAOYSA-N 305.447 2.750 0 40 DFAB Cc1c(C(=O)N2CCCN(C(C)C)CC2)oc2c1C(=O)CCC2 68778925 GNALWTBZFOLZND-UHFFFAOYSA-N 318.417 2.663 0 40 DFAB CCOc1c(Cl)cc(CNCC[S@](=O)CC)cc1OC 72284615 XSBLBXTUJZSRPV-FQEVSTJZSA-N 319.854 2.606 0 40 DFAB O=C(NCC1CCC1)C(=O)Nc1cc(C(F)(F)F)ccc1F 69566792 MZAUZSQOOIBGDH-UHFFFAOYSA-N 318.270 2.699 0 40 DFAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc(F)cc1 106138000 WOSVKUNZKZQSML-KGLIPLIRSA-N 307.413 2.745 0 40 DFAB C[C@@H](CNC(=O)N1CCc2ccccc21)CC1(C)OCCO1 89895167 QNWSDKWNQQWEHG-CYBMUJFWSA-N 304.390 2.548 0 40 DFAB C[C@@](O)(CNC(=O)NCCc1ccsc1)c1ccc(F)cc1 89901055 BKCCLFBBHBSFTQ-MRXNPFEDSA-N 322.405 2.637 0 40 DFAB CN(Cc1cc(Br)cn1C)C(=O)c1cscn1 95412612 KIHNZMHWSOPDBY-UHFFFAOYSA-N 314.208 2.516 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 17031490 SPQAOOUJELOKGO-GHSKTYPESA-N 307.296 2.816 0 40 DFAB COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1N 17303042 FUWKWQCNMNPILC-UHFFFAOYSA-N 307.331 2.940 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 150321861 VQFOGXGGJWPGIM-YYAJDYIMSA-N 305.333 2.673 0 40 DFAB Cc1nc(N2CCN(C)CC2)c2c3c(sc2n1)C[C@H](C)CC3 3459938 GSWKNIGGDKFNCL-LLVKDONJSA-N 316.474 2.876 0 40 DFAB Cc1cnc([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH]1 1848352257 XNSCNYQKCLLIOX-ZDUSSCGKSA-N 308.385 2.758 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)c2snnc2CC)c1 29075833 GBAXSSNQVVLDJP-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB O=C(N[C@@H]1C[C@H]2C[C@H]1CN2Cc1ccncc1)c1ccsc1 1565548067 QNZFQEFWPGORCR-ARFHVFGLSA-N 313.426 2.536 0 40 DFAB Cn1nc(Cn2cccc2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2 1565554567 APBHSSNQOVDMLZ-LJQANCHMSA-N 324.428 2.859 0 40 DFAB Cc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1C 4121180 DWNHYDOQJRPWOJ-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB CN(C)Cc1noc2c1C[C@@H](NCc1ccccc1F)CC2 2055730210 LQNFKZLEPIEGLO-ZDUSSCGKSA-N 303.381 2.522 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 206581612 NKFMFERBUHORRV-CQSZACIVSA-N 322.368 2.722 0 40 DFAB Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nc2ccccc21 2298192566 QABQLVLHAYYWEQ-ZDUSSCGKSA-N 314.433 2.704 0 40 DFAB c1ccc(-n2cnnc2SCc2cn3cccnc3n2)cc1 180606 LVENVUHBIDYWKR-UHFFFAOYSA-N 308.370 2.602 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 40525886 LOIBYKKLESVKGN-SNVBAGLBSA-N 312.316 2.772 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)c1 3400791 LGOFFNZEPMTMLN-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cccc(F)c1 3568091 RKHVZOQAGNJKMG-UHFFFAOYSA-N 314.316 2.716 0 40 DFAB CCCCc1cc(=O)[nH]c(N2CCO[C@H](c3ccccc3)C2)n1 41194219 DFSGGZVPOPQABI-INIZCTEOSA-N 313.401 2.690 0 40 DFAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc2c1OCCO2 8241913 HHCAYXALZOKFQA-UHFFFAOYSA-N 315.325 2.733 0 40 DFAB CCOc1ccccc1-n1nnnc1S[C@@H]1CCCCC1=O 32940013 RPYIYWVCFKCBJC-CQSZACIVSA-N 318.402 2.665 0 40 DFAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100625941 XJDYMPVMDYGLSM-AFWDSHEPSA-N 315.369 2.793 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)Cc1cccc(C(F)(F)F)c1 42534623 WKTOQFACNFHQAG-NSHDSACASA-N 311.307 2.649 0 40 DFAB O=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccccc1 1077860 YPAFJSSBJILRLC-UHFFFAOYSA-N 319.382 2.923 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1nc2ccccc2c(=O)[nH]1 105795547 LIQBFCNVEFVXHP-HNNXBMFYSA-N 323.400 2.615 0 40 DFAB CCO[C@@H](CC)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 57265183 VBZCNDOVYWVOOU-INIZCTEOSA-N 323.408 2.805 0 40 DFAB C[C@H](CNC(=O)c1ccccc1Br)N1CCCC1 36076981 UBLMYUDAYNJFLD-LLVKDONJSA-N 311.223 2.663 0 40 DFAB Cc1ccccc1C(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58299974 DGJHWVOKGZBPOX-HZPDHXFCSA-N 303.402 2.795 0 40 DFAB CCCCOc1ccc(CCNC(=O)c2csnn2)cc1 58208784 RQBJTIOIJJTTMN-UHFFFAOYSA-N 305.403 2.690 0 40 DFAB Fc1ccccc1Cc1nnc2n1N=C(c1ccc[nH]1)CS2 44978379 GCHRSQLCSXWTGR-UHFFFAOYSA-N 313.361 2.694 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc3ccccc3nc2C)c(=O)[nH]1 10302659 HXRVHUOFBMDOQJ-UHFFFAOYSA-N 321.380 2.778 0 40 DFAB CC(=O)NCc1ccc(-c2csc(N3CCSCC3)n2)o1 58330157 FHTYIOXTKFRULP-UHFFFAOYSA-N 323.443 2.592 0 40 DFAB COc1c(CN[C@@H]2CCOc3c(C)cc(C)cc32)c(C)nn1C 58407390 BIHHBULYLJGKNC-MRXNPFEDSA-N 315.417 2.967 0 40 DFAB CNC(=O)c1ccc(CN(C(=O)c2ccsc2)C2CC2)cc1 12978041 UUAVGKHSGSNHQI-UHFFFAOYSA-N 314.410 2.913 0 40 DFAB COc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1 6024889 AYQORNNKIHTZBM-UHFFFAOYSA-N 319.320 2.828 0 40 DFAB COc1cc(CNC(=O)N(C)CC(F)F)ccc1OC(F)F 69621789 CDUNHOVTNFFAJF-UHFFFAOYSA-N 324.274 2.703 0 40 DFAB O=C(O)CSc1nc2ccccc2nc1N1CCCCC1 8592312 MRNOFQJGDRCMDE-UHFFFAOYSA-N 303.387 2.797 0 40 DFAB CC1=NN(c2ccc(C(=O)Nc3ccc(N(C)C)cn3)cc2)CC1 65575362 XTODGQYQFXLYEZ-UHFFFAOYSA-N 323.400 2.986 0 40 DFAB CCOCC(=O)NCc1ccc(Br)cc1Cl 65539334 YULDBZAEXRYDSC-UHFFFAOYSA-N 306.587 2.755 0 40 DFAB CCCN(CCC)C(=O)c1ccccc1NS(=O)(=O)CC 65587289 XQBZDABIESKEQO-UHFFFAOYSA-N 312.435 2.710 0 40 DFAB O[C@@H](CN[C@H](c1ccc(F)cc1)C1CCC1)Cn1cccn1 69973249 YIWWDDOLVNTKSC-IRXDYDNUSA-N 303.381 2.514 0 40 DFAB COc1cc([C@H](C)O)ccc1COc1ccc(CO)cc1OC 14166199 NJVAWRAXBPLFSZ-LBPRGKRZSA-N 318.369 2.828 0 40 DFAB Sc1nnc(-c2ccc(Nc3nnc(S)s3)cc2)o1 5813750 YBKUXULPVOTNNH-UHFFFAOYSA-N 309.401 2.909 0 40 DFAB Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 90181638 JEZPJRMFMBTUHA-ZYHUDNBSSA-N 307.463 2.989 0 40 DFAB CC1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 7389273 RMQZFAXZQXPZBR-ZDUSSCGKSA-N 304.390 2.517 0 40 DFAB CCc1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7724108 QDJSAHYIWFJSLL-CJNGLKHVSA-N 304.415 2.642 0 40 DFAB CCO[C@@H]1C[C@H](N2CCN([C@@H](C)C(F)(F)F)CC2)C12CCC2 96009227 TYPYTLPRRAWMTL-MELADBBJSA-N 320.399 2.903 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)F)C2CC2)C1 78550608 HIABZRJDFVHABQ-LLVKDONJSA-N 316.392 2.527 0 40 DFAB COCCNC(=O)N[C@H](c1ccccc1)c1ccccc1OC 78714964 FDGZLGTYTLGRSO-QGZVFWFLSA-N 314.385 2.730 0 40 DFAB CC(C)(C)N1CCN(C(=O)Cc2cccc3cccnc23)CC1 71821611 BZXSCNZLBGAKRG-UHFFFAOYSA-N 311.429 2.720 0 40 DFAB CCCCCNC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 71913592 ITLKBJXSQOKQSW-UHFFFAOYSA-N 304.316 2.686 0 40 DFAB CCCNC(=O)c1cccc(C(=O)Nc2cccc3cn[nH]c23)c1 72294621 DOYKYNLEJSSUNO-UHFFFAOYSA-N 322.368 2.955 0 40 DFAB CCS(=O)(=O)c1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 97139030 DDZTVKYFLXERLM-OAGGEKHMSA-N 321.442 2.850 0 40 DFAB Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cnccn1 97146210 LUNCEGLNHBGZOL-UHFFFAOYSA-N 300.343 2.683 0 40 DFAB CCc1ccccc1NC(=O)C[C@H](C)NCCc1cncn1C 97164428 NGMPHRPXPXPHMA-AWEZNQCLSA-N 314.433 2.532 0 40 DFAB Cc1cccc(S(=O)(=O)CCCOc2ccc(C)nc2)c1 97144544 SCBVGAHUOFEMRR-UHFFFAOYSA-N 305.399 2.941 0 40 DFAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CCCO1 72307135 GOGWWQRLGZCNNQ-HNNXBMFYSA-N 317.385 2.522 0 40 DFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccnc(Cl)c1 72302999 BOEZYSBRFBWQHL-UHFFFAOYSA-N 306.753 2.604 0 40 DFAB C[C@@H](NC(=O)c1ccc2nccn2c1)c1ccc2c(c1)OCCO2 84651789 QNRKODYSFBRMIM-GFCCVEGCSA-N 323.352 2.597 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)NCC(F)(F)F 84741041 BUXFNNNBTVZOGC-ZJUUUORDSA-N 324.343 2.748 0 40 DFAB CCCc1noc([C@H](C)N[C@H]2CCN(C(=O)CC)C[C@@H]2CC)n1 84759035 LVQCWTZTUAXKPX-IHRRRGAJSA-N 322.453 2.710 0 40 DFAB C[C@]1(c2cccnc2Cl)NC(=O)N(Cc2ccccc2)C1=O 95419344 SDOPWBWIDPLCQU-MRXNPFEDSA-N 315.760 2.702 0 40 DFAB C[S@@](=O)CCNC(=O)N[C@@H](c1cccs1)C(C)(C)C 73756464 QECFJJMNDFTIKB-WLRWDXFRSA-N 302.465 2.513 0 40 DFAB CCOCC1CCN(c2nnc(-c3ccccn3)s2)CC1 95940404 WDXACNUYJXOWCF-UHFFFAOYSA-N 304.419 2.853 0 40 DFAB COc1cccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 89470023 FPAMROMRJMASDT-SFHVURJKSA-N 310.397 2.758 0 40 DFAB C[C@@H](CC(=O)c1ccccc1)NC(=O)CSc1ccncc1 89894622 LKYHQRSGUVYMDK-ZDUSSCGKSA-N 314.410 2.951 0 40 DFAB COCCN1C(=O)S/C(=C/c2ccc(C)c(OC)c2)C1=O 409217074 NSVBJAAOCBFINC-UKTHLTGXSA-N 307.371 2.686 0 40 DFAB c1nc(N2CCc3nc[nH]c3C2)c2c3c(sc2n1)CCCC3 521394484 VRGCOWIHIYKIJL-UHFFFAOYSA-N 311.414 2.856 0 40 DFAB C[C@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2N1 78404023 VMFROJPLBZZJSH-ZDUSSCGKSA-N 316.426 2.864 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72227172 XCYDIISJCCIXMU-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB COc1cc(CCC(=O)Nc2nc3c(s2)CCCCC3)on1 79479027 JRVZGVILGLPXND-UHFFFAOYSA-N 321.402 2.980 0 40 DFAB O=C(O)CN(C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 79393463 QGJKUMXVUZDDBO-KRWDZBQOSA-N 302.418 2.590 0 40 DFAB CCCn1c(SCCOc2cccc(Cl)c2)n[nH]c1=O 36802315 QKZKQZPJSFVCIN-UHFFFAOYSA-N 313.810 2.806 0 40 DFAB CC(C)c1cnc(COc2ccc(S(=O)(=O)N(C)C)cc2)o1 79091543 BTDOJHGPUWOPPY-UHFFFAOYSA-N 324.402 2.627 0 40 DFAB O=C(Nc1nc2c(OC(F)F)cccc2s1)[C@@H]1CCCN1 72667437 HBDSYCFNCLOFEC-ZETCQYMHSA-N 313.329 2.588 0 40 DFAB Cc1ccc([C@@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218523886 KHDLRWBHQSIDCK-BBWFWOEESA-N 301.411 2.510 0 40 DFAB CCCc1nc(CN(CCCO)[C@H]2CCc3ccccc32)no1 79311613 DJCGGWVGRSFKKT-INIZCTEOSA-N 315.417 2.894 0 40 DFAB C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@@H]1CCCO1 78611649 FGLDDGXNGRZWDV-NHYWBVRUSA-N 318.352 2.700 0 40 DFAB C[C@@H](c1ccccc1)[C@@H](CO)Nc1ncc(Br)cn1 78882437 GKIVYMRFUPAVBF-GXFFZTMASA-N 322.206 2.816 0 40 DFAB C[C@@H]1OCCN(CCOc2ccc(C(=O)O)cc2Cl)[C@H]1C 566920533 NUQNKORHIYFRAN-QWRGUYRKSA-N 313.781 2.526 0 40 DFAB COC(=O)C[C@@H](NC(=O)Nc1cc(Cl)ccc1F)C1CC1 86281056 YNKXFPXCXSPBFT-LLVKDONJSA-N 314.744 2.942 0 40 DFAB Cc1cc(C(=O)OC2CN(c3nc4ccccc4s3)C2)on1 75166605 QANVCXPIPPIDTP-UHFFFAOYSA-N 315.354 2.638 0 40 DFAB Cc1nc(C(=O)N(C)[C@@H](C)c2cccs2)ccc1C(=O)O 49725129 SLGNXUOCFBMVIW-JTQLQIEISA-N 304.371 2.983 0 40 DFAB CN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 514290097 ZGXDKSUCPPGVLM-YQQAZPJKSA-N 324.490 2.797 0 40 DFAB biogenic,in-vitro CCc1cc(CNC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)[nH]n1 83232196 JOIQDLDKRZFBBJ-OLZOCXBDSA-N 300.406 2.964 0 40 DFAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1NC(C)C 226103677 OMEOGFNAZFDGBL-UHFFFAOYSA-N 300.362 2.723 0 40 DFAB c1cncc(O[C@H]2CO[C@]3(CCCN(Cc4ccco4)C3)C2)c1 96222520 FGTXYVOXKVWCID-QZTJIDSGSA-N 314.385 2.877 0 40 DFAB Cc1nc(O)[nH]c1C(=O)NC1(c2ccc(F)cc2F)CCCC1 578640550 QSOZQFBGPNYDEH-UHFFFAOYSA-N 321.327 2.901 0 40 DFAB COCCCCS(=O)(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 97097121 VPZJIMGCBAJCIC-GDBMZVCRSA-N 323.458 2.897 0 40 DFAB O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96117994 PJDKVZKLLFQVAY-UHFFFAOYSA-N 306.325 2.659 0 40 DFAB CS[C@H]1CC[C@H](NC(=O)NCc2cn3c(C)cccc3n2)C1 96440602 VVNKPLZTLISFAP-JSGCOSHPSA-N 318.446 2.726 0 40 DFAB Cc1nc([C@@H](NC(=O)c2ccc[nH]2)c2ccc(Cl)cc2)no1 92701169 BKYCIGNIZYNKOB-ZDUSSCGKSA-N 316.748 2.879 0 40 DFAB COC[C@H]1CN(Cc2ccccc2Cl)Cc2ncn(C)c21 96068612 GNHUUNBLRYSAOC-CYBMUJFWSA-N 305.809 2.819 0 40 DFAB O=C(Nc1ccccn1)C1CCN(Cc2ccc(O)cc2)CC1 97104763 TZUXZIMGRSYIIO-UHFFFAOYSA-N 311.385 2.638 0 40 DFAB Fc1cccnc1O[C@H]1CSC2(C1)CN(Cc1ccco1)C2 247504842 GOQOYVOFFQWRHQ-CYBMUJFWSA-N 320.389 2.953 0 40 DFAB COc1ccccc1[C@H]1CN(C(=O)c2ccsc2)CCN1C 257316432 VFOAQTPLUOXDEL-OAHLLOKOSA-N 316.426 2.886 0 40 DFAB C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1COCCO1)c1ccc(Cl)cc1 252477737 UZFNDTCOFUGVQO-AQNFWKISSA-N 309.793 2.569 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccsc1 252528083 FAMDVDPILUHRDM-JOCQHMNTSA-N 303.387 2.658 0 40 DFAB CN1CCC[C@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257305625 SQVBOYVUSWFEKI-CYBMUJFWSA-N 311.385 2.726 0 40 DFAB CCCN(CCC)c1nn(-c2ccc(OC)cc2)nc1C(=O)O 256047611 NKTACJMPJDQJOW-UHFFFAOYSA-N 318.377 2.601 0 40 DFAB O=C(NCCCn1ccc2cccnc21)NCc1cccs1 96353512 VOBXOYUEFQALCG-UHFFFAOYSA-N 314.414 2.987 0 40 DFAB CC[C@@H](C)NC(=O)COc1ccc(N(C)C(=O)NC(C)C)cc1 54246706 BOFOSWDOFYXGQU-CYBMUJFWSA-N 321.421 2.534 0 40 DFAB COC1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 81073355 SSQQQNPXLRIKBD-UHFFFAOYSA-N 314.389 2.574 0 40 DFAB CCn1ncc(Br)c1C(=O)N1CCCC[C@@H]1C 2778749 SEHDHVUYKYZMFH-VIFPVBQESA-N 300.200 2.680 0 40 DFAB Oc1cc(F)cc(I)c1Br 306257665 QJNANMKDZKQEPR-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB Cc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1F 5303687 MBZXITQWPOYCMG-UHFFFAOYSA-N 311.316 2.633 0 40 DFAB O=c1[nH]c(-c2ccccc2)nc2c1sc(=O)n2-c1ccccc1 5888594 VBTJVNPRKYLOBH-UHFFFAOYSA-N 321.361 2.803 0 40 DFAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221451 JBMUZLUIHMITCY-MRXNPFEDSA-N 323.400 2.972 0 40 DFAB C[C@@H]1CCCN(CC(C)(C)NC(=O)c2ccnn2C(F)F)C1 19496552 GYEMSJKRGKWHMA-LLVKDONJSA-N 314.380 2.519 0 40 DFAB Cc1c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cnn1C 19553714 NFAGVUOJZLATLT-OAHLLOKOSA-N 309.417 2.984 0 40 DFAB COCc1nnc(NC(=O)c2cc3cc(OC)ccc3o2)s1 19594515 RZDLLPQYGXEDGP-UHFFFAOYSA-N 319.342 2.692 0 40 DFAB CCNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 16849262 MEXGCXMPKYIULC-UHFFFAOYSA-N 324.450 2.666 0 40 DFAB FC(F)(F)c1cccc(CNc2cc(-n3cncn3)ncn2)c1 1888904391 NXPZYUGOVQUONG-UHFFFAOYSA-N 320.278 2.688 0 40 DFAB Cc1nc2ccccc2nc1Cn1nc(-c2cccs2)oc1=O 32814451 KYBXIEOZZGYLET-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCCN2Cc2cc[nH]n2)cs1 2037909331 URPSMVPQCRICNU-ZDUSSCGKSA-N 305.407 2.552 0 40 DFAB CC1CCC(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)CC1 1565544384 GDBJNXBBROWDHK-KXIUCKCTSA-N 320.477 2.524 0 40 DFAB O=C(NC[C@@H](OCCO)c1cccs1)Nc1cccs1 575606647 OQASHGFKFVGFJG-SNVBAGLBSA-N 312.416 2.681 0 40 DFAB COc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)cc1 88065 ZOUGWXPFFWILBO-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB CCNC(=O)CN(CC)C(=O)c1cc2cc(Cl)ccc2o1 40481328 VYYANEXQHBWUIN-UHFFFAOYSA-N 308.765 2.684 0 40 DFAB CCN(CC)C(=O)CN1CCC(OCc2ccccc2)CC1 40477322 KNKOYUKKCSRVRF-UHFFFAOYSA-N 304.434 2.536 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(Br)c1 100842400 UCSQPCJPUUPAPF-RBJBARPLSA-N 318.170 2.761 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2scnc2C)c1 40529137 RCAAZAYXCRAXER-SECBINFHSA-N 306.387 2.960 0 40 DFAB C[C@@H]1c2ccc(C(=O)O)n2CCN1C(=O)OCc1ccccc1 32626947 KUXWKAZUFJUJPK-GFCCVEGCSA-N 314.341 2.900 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc(O)cc2O)c1C 3417568 BGERLJDOORIHCW-UHFFFAOYSA-N 315.325 2.510 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)Cc3ccc4c(c3)CCC4)cc12 32899803 YZYHTKJTGBOPRO-UHFFFAOYSA-N 320.396 2.947 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2NC1=O 12173032 MEENGDKANFJSSH-SNVBAGLBSA-N 314.316 2.726 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)cn1 46872037 VLWCTXZTAJHTKQ-AWEZNQCLSA-N 300.362 2.733 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 22384575 KEYVZWCPYFWMNA-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CCc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)o1 42360899 AYZLPHCHLUDORS-UHFFFAOYSA-N 319.430 2.565 0 40 DFAB CN1CCC(NC(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 54148020 AUOQMIWGNPEJGS-UHFFFAOYSA-N 324.428 2.674 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2n[nH]c3ccccc23)C1 47416802 IXFWGBYYEIYLMP-OKILXGFUSA-N 314.433 2.661 0 40 DFAB O=C1[C@H]2CN=N[C@H]2C(=O)N1c1ccc(Cl)cc1C(F)(F)F 103583044 OMDQVPOQBWEUFF-IMTBSYHQSA-N 317.654 2.683 0 40 DFAB COc1cccc(CNC(=O)COc2ccc(F)cc2F)c1 24544362 XSYGYZVZGIQHFZ-UHFFFAOYSA-N 307.296 2.669 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 55974823 NKBAWRRSIBDSPS-UHFFFAOYSA-N 319.386 2.875 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCO[C@H](C)C1 108158107 SNQGKLCLXZXHRK-WOPDTQHZSA-N 313.344 2.663 0 40 DFAB c1cn([C@H]2CO[C@@]3(CCCN(Cc4ccsc4)C3)C2)cn1 107731350 HSTSFANUTXQSLQ-CVEARBPZSA-N 303.431 2.941 0 40 DFAB O=C(Nc1cccnc1)Nc1cccc(-c2nnnn2C2CC2)c1 58088315 LKHWXKVTHVGQLQ-UHFFFAOYSA-N 321.344 2.714 0 40 DFAB O=c1cc(C(F)(F)F)[nH]c2nc(-c3cccc(Cl)c3)nn12 100069511 HSAKJPZCZNNWAG-UHFFFAOYSA-N 314.654 2.757 0 40 DFAB Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1C 108981192 ZTSLDBLXFFIZMR-KKUMJFAQSA-N 300.402 2.794 0 40 DFAB COc1ccc([C@@H](C)NCc2c(C)nn(C)c2OC)cc1F 58381166 ZHNUCTOLBKNCME-SNVBAGLBSA-N 307.369 2.736 0 40 DFAB Cc1ccccc1CC(=O)Nc1ccn(Cc2ccccn2)n1 58327999 JSSYDBINPKEDQA-UHFFFAOYSA-N 306.369 2.816 0 40 DFAB Cc1c(C)n(C[C@@H](O)CNC[C@@H]2CCCO2)c2ccc(F)cc12 28297179 IQQFXGBJTGSHAZ-HOTGVXAUSA-N 320.408 2.527 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(C)o1 10993392 VEYDCEHOEHGVSV-AWEZNQCLSA-N 319.382 2.545 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2ccc(N(CC)C(C)C)nc2)C1 69587122 WSNFSQGMAIUGSF-INIZCTEOSA-N 319.449 2.957 0 40 DFAB O=C(COC(=O)CSc1ccccc1)NCc1ccccc1 3499659 AWOFVQLIJNNCNN-UHFFFAOYSA-N 315.394 2.638 0 40 DFAB c1ccc2[nH]c(N3CCN(c4nc5ccccc5[nH]4)CC3)nc2c1 12964206 XIHWBZDVLNSFHW-UHFFFAOYSA-N 318.384 2.766 0 40 DFAB Cc1ccc(-c2cc(CN3CCC[C@@H]3Cn3cncn3)on2)cc1 69600999 YTQRYXZLKBZLJE-MRXNPFEDSA-N 323.400 2.906 0 40 DFAB COc1ccc2[nH]c(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2c1 18059972 XKADSWIUSBUPSB-PHIMTYICSA-N 302.374 2.734 0 40 DFAB CCC(O)(CC)CNCc1c[nH]nc1-c1ccc(OC)cc1 63918026 QNJRRXFMRVBVBG-UHFFFAOYSA-N 303.406 2.726 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)c1sccc1C1CC1)C2 69810614 UXBMQCTUVMDGSG-UHFFFAOYSA-N 316.430 2.996 0 40 DFAB Cc1c(Cl)cccc1NC(=O)c1cnc2sccn2c1=O 4121089 BYJDFDKMOFQIOP-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB CC(C)(C(=O)N[C@H]1CCN2CCCC[C@H]12)c1ccccc1F 69898358 TUTWTLJLEZAECX-JKSUJKDBSA-N 304.409 2.846 0 40 DFAB CCn1nccc1CN(C)C(=O)c1cc(Cl)ccc1OC 28219025 PYTLHECSOACGOY-UHFFFAOYSA-N 307.781 2.837 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2c(C)oc(C)c2C)CC1 65625552 YOYVTIGECASIBS-UHFFFAOYSA-N 316.405 2.836 0 40 DFAB CCO[C@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)C1 65604320 VNIVLAYLOLHBLC-IRXDYDNUSA-N 313.401 2.500 0 40 DFAB O=C([C@H](Sc1cccc[n+]1[O-])c1ccccc1)N1CCCC1 5466419 CTKKNEZJVXEUCC-MRXNPFEDSA-N 314.410 2.776 0 40 DFAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccccc1 4681123 YBYRGGHNPISJGA-ZDUSSCGKSA-N 300.358 2.951 0 40 DFAB CC(C)n1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 66385990 LOWMYGOVIBYBJL-ZDUSSCGKSA-N 320.437 2.687 0 40 DFAB CC(C)NC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 66899203 FVOUZSNTPXDSGO-HNNXBMFYSA-N 318.417 2.509 0 40 DFAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1 7048927 WQCCDFVCQJNQFY-MRVPVSSYSA-N 323.809 2.535 0 40 DFAB CSCC[C@H](N)c1nc(C2=Cc3ccccc3OC2)no1 62716589 HNHCUSRFWKXGAH-LBPRGKRZSA-N 303.387 2.756 0 40 DFAB O=C(CCC(=O)c1ccc(Cl)s1)NC1CCOCC1 80401124 BFHNGPZOOXPTIE-UHFFFAOYSA-N 301.795 2.660 0 40 DFAB C[C@@H]([C@@H](C)NCc1cccc2c1OCCCO2)n1cccn1 69372492 IABUGOASFPTSAO-KGLIPLIRSA-N 301.390 2.784 0 40 DFAB Nc1nc(SCc2ncc(-c3cccc(Cl)c3)o2)n[nH]1 9417922 JZUVAJHUCYBUIN-UHFFFAOYSA-N 307.766 2.988 0 40 DFAB COc1ccc(CN2CC[C@@]3(CCOC3)C2)c(OC(F)F)c1 93820092 ORFHYADOEXXACZ-MRXNPFEDSA-N 313.344 2.909 0 40 DFAB Cc1noc(CCNC(=O)Nc2ccc3nc(C)sc3c2)n1 71892331 QTGQWHZDVLLWPN-UHFFFAOYSA-N 317.374 2.660 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 71827218 YZWNTOBMSURVRM-BLLLJJGKSA-N 313.401 2.639 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)n1 71870084 VBGLIWFFBBGPIO-ZDUSSCGKSA-N 306.797 2.786 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(OC)c1 71818705 IMZYJOFSEOVGMY-MRXNPFEDSA-N 314.385 2.938 0 40 DFAB Cc1cccc([C@H]2C[C@H]2C(=O)N2CCC(c3nncn3C)CC2)c1 71853408 CMASCVLVRJCFFB-IAGOWNOFSA-N 324.428 2.633 0 40 DFAB Cc1cscc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 94246441 CCPOMQWGEPJQKT-AWEZNQCLSA-N 301.367 2.708 0 40 DFAB COc1ccc(C(=O)N2CC[C@H](CN3CCCCC3)C2)c(F)c1 72297641 NGXACXKFYYMTOA-CQSZACIVSA-N 320.408 2.782 0 40 DFAB COc1cccc(CNC(=O)c2cccc(-n3ccnc3)c2)c1 72287237 GUSBRKDGJABBOZ-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB C[C@@H](NC(=O)N1CCC2(C1)OCCO2)c1cccc(Cl)c1 78951311 DQZNKNHPIJPBGK-LLVKDONJSA-N 310.781 2.559 0 40 DFAB CC(C)(C)c1nnsc1C(=O)Nc1ccc2[nH]ncc2c1 97105661 HJOBXMCIUIEMQB-UHFFFAOYSA-N 301.375 2.964 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)NCc2ncc(C(C)(C)C)o2)C1(C)C 78973941 HASXFJXDOQHUGS-NWDGAFQWSA-N 323.437 2.975 0 40 DFAB Cc1nc(-c2ccccc2NC(=O)NCc2cccnc2)no1 79046692 DIRLBGPOUYRGJY-UHFFFAOYSA-N 309.329 2.762 0 40 DFAB Cn1ccnc1C[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 97376972 YOSRBLFQESGTEF-OAHLLOKOSA-N 315.465 2.826 0 40 DFAB O[C@H](CNc1ncnc2c1oc1ccccc12)COCC1CC1 95393401 JKIYICIQZDSMPC-GFCCVEGCSA-N 313.357 2.575 0 40 DFAB C[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc(SC(F)F)cc1 95419511 SHIUWWVZGWQYFZ-GXSJLCMTSA-N 321.414 2.839 0 40 DFAB C[C@H]1COCCN1c1ccc(NC(=O)C2SCCS2)cc1 95449774 DZVIFWDLLBGOTA-NSHDSACASA-N 324.471 2.656 0 40 DFAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 88436117 DILPNHPACSSYSG-MXWKQRLJSA-N 307.312 2.678 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCCOc1ccccc1 25907975 GWDGMHKTBJCJLZ-ZHACJKMWSA-N 313.401 2.635 0 40 DFAB Cc1ccc(C(N)=O)cc1NCCN1CCCc2ccccc21 89646923 LVMUZNPJRTVGRP-UHFFFAOYSA-N 309.413 2.959 0 40 DFAB Cc1cn2c(CN(C)C(=O)[C@H]3CC[C@@H](C)O3)c(C)nc2s1 89743101 OCAGKYGJRNCZHA-NOZJJQNGSA-N 307.419 2.539 0 40 DFAB C[C@H](C1CC1)N(C(=O)NCCc1cn2ccccc2n1)C1CC1 89894189 JXVRPVAQINZLDS-CYBMUJFWSA-N 312.417 2.849 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCn2cccn2)C1 89894276 LVBPGRBWYUDDDR-GJZGRUSLSA-N 322.453 2.508 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccn1 28200277 DIVVRORSSYJXIU-UHFFFAOYSA-N 308.381 2.850 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)N(Cc1ccoc1)C1CC1 1548453658 UWTREZBZVQXACA-LLVKDONJSA-N 302.378 2.757 0 40 DFAB CCOC(=O)N[C@H](CC(=O)Nc1cccnc1)c1ccccc1 408979958 OXFPMGMTDHOMMH-OAHLLOKOSA-N 313.357 2.898 0 40 DFAB CN(C(=O)Cn1nnc2c1CCCC2)[C@H]1CCCc2ccccc21 516583006 YZDNQCODRMQYBH-KRWDZBQOSA-N 324.428 2.693 0 40 DFAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc[nH]n1 524733616 YQXYDOVRYIBCQV-CYBMUJFWSA-N 315.764 2.878 0 40 DFAB COC(=O)C(C)(C)CNC(=O)Nc1c(F)cc(Cl)cc1F 182834911 NFCCSTBZLFNJGB-UHFFFAOYSA-N 320.723 2.939 0 40 DFAB CSC[C@@H]1CCN(C(=O)c2ccc(-c3nc(C)n[nH]3)cc2)C1 73909406 LHMNDJVWKDXWCB-GFCCVEGCSA-N 316.430 2.605 0 40 DFAB CCc1nnc2sc(-c3ccc(N)cc3Br)nn12 73638662 KYLORBXDSFYPAX-UHFFFAOYSA-N 324.207 2.760 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ncc(F)cn1 72203011 YQWANKJHQHJPSD-LBPRGKRZSA-N 311.357 2.784 0 40 DFAB O=C(O)CSC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392141 QNTXFAJXQQPXBF-AWEZNQCLSA-N 323.414 2.853 0 40 DFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCCCCC1 225751795 JPUHQHPQWAGNOF-UHFFFAOYSA-N 302.349 2.543 0 40 DFAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](Oc2cnccn2)C1 225472408 UAOJLMUQBORLNC-HNNXBMFYSA-N 322.368 2.642 0 40 DFAB Cc1cn(-c2ccccc2)nc1OCC(=O)NCc1ccccc1 226852497 CPCHOVXHDLNUOC-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB CCc1ccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 226389479 QZIGTFQURZURKZ-PDCGBLAGSA-N 322.408 2.672 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)/C=C/c3cccs3)C2)nn1 225422074 NALRLMOFQAONEK-VUDGCMKMSA-N 315.398 2.540 0 40 DFAB Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)cn3C)CC2(C)C)cn1 574683539 PYNNCZBOKXTTIC-ZDUSSCGKSA-N 320.824 2.678 0 40 DFAB COC(=O)c1cc(NC(=O)C(C)(C)OC)ccc1OC(C)C 225788857 HQLUHYIZCQOYPL-UHFFFAOYSA-N 309.362 2.624 0 40 DFAB COc1cc(OC)c(-c2[nH]ncc2C=O)cc1Br 82168612 ROWHRDLMLMRZIP-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB CC(C)Cc1ncc(CNC(=O)c2cccc3nn[nH]c23)s1 195573622 HIGIULKRIYIFCO-UHFFFAOYSA-N 315.402 2.543 0 40 DFAB C[C@H]1CN(C(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)C[C@@H](C)O1 227165520 GHVUJZUNFCRMKF-QLFBSQMISA-N 313.401 2.747 0 40 DFAB CC[C@@H](NC(=O)N1CCO[C@](C)(CC)C1)c1c(C)nn(C)c1C 195574836 UZUBHFXCFUKHSQ-RHSMWYFYSA-N 322.453 2.699 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N[C@@H]1CC[C@H](N(C)C)C1 195579923 QAVGCNVNNVSXBT-KGLIPLIRSA-N 324.852 2.880 0 40 DFAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2COCCO2)o1 96433256 WXCAZJRPFWYPFM-NOLJZWGESA-N 307.390 2.557 0 40 DFAB CCNc1nc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cs1 96495435 UPWLMQCHQHYYAC-RNCFNFMXSA-N 323.393 2.566 0 40 DFAB O=C(N[C@@H]1C=CCCC1)C1(C(=O)N[C@H]2C=CCCC2)CCC1 96475143 NPJJKMVACAZDFS-GASCZTMLSA-N 302.418 2.607 0 40 DFAB C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1ccc(F)cc1 96437462 HCZDRWAWOLWZNH-MEDUHNTESA-N 306.337 2.687 0 40 DFAB CC[C@H](CCO)NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 96493207 AMEFNRLBWFMVCE-CQSZACIVSA-N 316.405 2.772 0 40 DFAB c1cnc(N2CCC3(CCCN(CC4CCC4)C3)CC2)cn1 96071888 UERCJHIRAFFZAA-UHFFFAOYSA-N 300.450 2.959 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(CO)CC1 96413423 IJFQIXGMWJGVGL-UHFFFAOYSA-N 311.813 2.642 0 40 DFAB c1cc(CO[C@@H]2COC3(CCN(C4CCC4)CC3)C2)ccn1 96106877 QLFCCSYUAQCQDW-KRWDZBQOSA-N 302.418 2.774 0 40 DFAB O=C(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 245343980 WTDDJAWXUYWUJS-BVIKNXMNSA-N 313.397 2.818 0 40 DFAB c1cncc(CN2CC3(C[C@H](Oc4cccnc4)CS3)C2)c1 253601489 BHQTZSNVBXEOGS-INIZCTEOSA-N 313.426 2.616 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cn2C)no1 257230018 GAKCQNVWQYWCBD-CQSZACIVSA-N 302.378 2.646 0 40 DFAB Cc1cc(CC[C@@H]2CCCN2C(=O)C2CCOCC2)ccn1 257245120 IODDCSDBKRIKKW-KRWDZBQOSA-N 302.418 2.740 0 40 DFAB Oc1ncnc2cc(Br)cc(Br)c12 299888903 AHUPTGYCMWUAQI-UHFFFAOYSA-N 303.941 2.860 0 40 DFAB CC(C)n1nccc1CNCc1cnn(CC(F)(F)F)c1 256054425 WEYCDWYMEKFTNR-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB C[C@@H]1c2cc(F)ccc2CCN1C(=O)CN(C)[C@H]1CCSC1 253369308 AWJFTZALPZPPLR-DOMZBBRYSA-N 322.449 2.709 0 40 DFAB Cc1cnccc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 585269129 KJEHOBFCODDZIH-GOSISDBHSA-N 316.376 2.545 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H]1c1cccs1 44969778 XCMGQZLCYLWLHZ-OLZOCXBDSA-N 304.419 2.880 0 40 DFAB COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(C(N)=O)c1 68808455 YZNJNQJWMFZVJN-INIZCTEOSA-N 324.380 2.771 0 40 DFAB COc1ccccc1SCCN1C(=O)NC2(CCCC2)C1=O 70036712 LTEAVVSFOQPKJT-UHFFFAOYSA-N 320.414 2.652 0 40 DFAB O=C(c1ccncc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 96203120 LULVLQHICIGSMG-FQEVSTJZSA-N 321.424 2.820 0 40 DFAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@@H]1c1ccccc1 15086157 UNPQFTYTEWXGIE-UWWQBHOKSA-N 304.386 2.700 0 40 DFAB OCCNCCN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 19365953 MJVRFDRHASINIE-GOSISDBHSA-N 318.848 2.795 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2CO)C1 156334627 ZZKJCSZARWILLC-MRXNPFEDSA-N 320.433 2.668 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)CC1CCCC1 8931761 RMPJDCHFONIUMK-UHFFFAOYSA-N 305.403 2.892 0 40 DFAB Fc1ccc(CNC2CN(c3ncnc4ccsc34)C2)cc1 1888890386 JXNJKJMABOLYOK-UHFFFAOYSA-N 314.389 2.809 0 40 DFAB Cc1cc(C)n(-c2cc(NCCOc3ccccc3)ncn2)n1 1888913754 CDGJFYCJLAFYDN-UHFFFAOYSA-N 309.373 2.770 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1Cc2ccccc2O1 31929146 RHXMBJMRRGZZCP-INIZCTEOSA-N 324.336 2.585 0 40 DFAB O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCC1 32247607 ZMUSNUBNOMTXKO-UHFFFAOYSA-N 307.353 2.759 0 40 DFAB COc1ccc(Cl)cc1C(=O)N1CC(Oc2cccnc2)C1 238922878 UGOVQHXEGODKEN-UHFFFAOYSA-N 318.760 2.647 0 40 DFAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCc2ccccc21 40088048 CWDPESAKFIWILA-QGZVFWFLSA-N 310.328 2.908 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1 40542494 WLIYVRVOEHRZKH-CQSZACIVSA-N 317.364 2.816 0 40 DFAB COc1ccc(C(=O)NCCc2cccc3cccnc23)c(O)c1 32071657 AZTQAOFRAILHOB-UHFFFAOYSA-N 322.364 2.922 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 111364 KHKYZLXJVPUJBQ-HNNXBMFYSA-N 322.364 2.881 0 40 DFAB c1ccc(-c2nnc(-c3ccccn3)n2-c2ccccn2)nc1 115755 VANXDRIJTOOLAW-UHFFFAOYSA-N 300.325 2.786 0 40 DFAB CCOc1ccc2nc(NC(=O)c3ccnn3C)sc2c1 136006 WWGAGJHGLQNDDS-UHFFFAOYSA-N 302.359 2.681 0 40 DFAB CCN(CC)C(=O)C1CCN(Cc2ccccc2OC)CC1 299519 QYDZREVRRSELHQ-UHFFFAOYSA-N 304.434 2.776 0 40 DFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)[C@H]1C[C@H]1C 69489967 DAJYDCZNUPTALZ-OCCSQVGLSA-N 318.442 2.779 0 40 DFAB CC(=O)Nc1ccc(Sc2nnc(NC(C)=O)s2)cc1 1634506 VIKCQGOAXWMTLB-UHFFFAOYSA-N 308.388 2.606 0 40 DFAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCCC(C)C)cc1 491180 XZWUXRHXGAHEBM-INIZCTEOSA-N 319.401 2.889 0 40 DFAB biogenic O=C(CSc1ccc(-c2ccncc2)nn1)NC1CCCC1 4272425 FGIUTIFLJFSPTB-UHFFFAOYSA-N 314.414 2.690 0 40 DFAB O=C(CCCc1nc(-c2ccccc2)no1)NCc1ccco1 4433984 XFFOFOHWXOVZIT-UHFFFAOYSA-N 311.341 2.969 0 40 DFAB CCOC(=O)CCCCN(CC)CCCCC(=O)OCC 4958327 QKAZSQGIMOBQGD-UHFFFAOYSA-N 301.427 2.775 0 40 DFAB CCSc1nnc(NC(=O)COc2ccc(C)cc2)s1 7264224 LCTITHGWHFDEEM-UHFFFAOYSA-N 309.416 2.976 0 40 DFAB CC(=O)N[C@H](C(=O)NCC1(c2ccccc2)CC1)C1CCCC1 42007908 DZAYYVHJVMHFMJ-KRWDZBQOSA-N 314.429 2.529 0 40 DFAB c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2nccs2)c1 107747419 RPCKWFHDAKLNJF-LZWOXQAQSA-N 303.431 2.624 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccncc3)c12 55473481 MPKIUGQXWGPNRZ-UHFFFAOYSA-N 323.400 2.725 0 40 DFAB Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCOC3)cs2)cc1 41373212 NHWZMVJLJOTCEB-LBPRGKRZSA-N 302.399 2.885 0 40 DFAB COc1cccc(C(=O)NCCCN2CCCCCC2)c1OC 57288789 BSUAIBASZYQSKX-UHFFFAOYSA-N 320.433 2.700 0 40 DFAB O=C(NCc1cccc(CO)c1)c1ccccc1-c1cncnc1 76083161 XZDXVHDXYLCHNP-UHFFFAOYSA-N 319.364 2.566 0 40 DFAB CC(=O)Nc1cc(NCC(=O)NCc2cccs2)ccc1F 24365785 BHUXVWHPHGYMGB-UHFFFAOYSA-N 321.377 2.574 0 40 DFAB COc1ccc(OC)c([C@H](O)CNc2ccc(Cl)cn2)c1 78629937 MASZRNSHPLBPRL-CYBMUJFWSA-N 308.765 2.898 0 40 DFAB Cc1cccc(C)c1NC(=O)C(=O)NCCc1ccc(F)cc1 3085672 CMXAQIKGZAMRBP-UHFFFAOYSA-N 314.360 2.740 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1C(=O)O 55651220 PUVHOKJUSNNLFC-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccccc21 25444332 ORWINADXLKTLJO-UHFFFAOYSA-N 304.353 2.529 0 40 DFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3C3CCCC3)nc2n1 56033777 AQKPMBMNJXGCIZ-CQSZACIVSA-N 313.405 2.536 0 40 DFAB CC(C)OCc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1 56171640 VZNPCAPLYHUWSW-SFHVURJKSA-N 312.413 2.928 0 40 DFAB CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 108106127 NJHDNXFNWKVROZ-CBBWQLFWSA-N 324.421 2.739 0 40 DFAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2)Oc2ccccc21 12616457 BSEYTEKTYKRNRV-INIZCTEOSA-N 314.316 2.578 0 40 DFAB CCCCN(CC)C(=O)Nc1cccc(-n2nnnc2C)c1 44935759 GFQDCXSEPYOQGN-UHFFFAOYSA-N 302.382 2.625 0 40 DFAB COCCCNc1nnc(-c2ccc(OC)c(OC)c2)s1 44978905 KVCRXRQCZRJQCO-UHFFFAOYSA-N 309.391 2.671 0 40 DFAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 2298689 XVXFFWLRHWKGCJ-VIFPVBQESA-N 315.200 2.873 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ccccn3)C2)s1 58517265 ZKXVPLOAONWDHL-CQSZACIVSA-N 315.442 2.984 0 40 DFAB COc1cccc(CSc2nnnn2Cc2ccco2)c1 11308196 LGXDOANXGUDOQV-UHFFFAOYSA-N 302.359 2.615 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)C(C)C 29088645 XAWIYUFSPWPEAJ-LBPRGKRZSA-N 324.450 2.685 0 40 DFAB CC(C)c1noc(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)n1 29145523 ZSHRSYNKXJMZOI-NSHDSACASA-N 314.345 2.550 0 40 DFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H]1CCCO1 12742288 SHCSJCTWEYQNDD-CQSZACIVSA-N 318.348 2.709 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nc2c(s1)CCCCC2)C(C)C 12766802 GTQKIBBSSPMSHX-ZDUSSCGKSA-N 309.435 2.511 0 40 DFAB C[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1CCc2ccccc21 48310397 JNJPJOOFRKXGMP-LBPRGKRZSA-N 306.369 2.953 0 40 DFAB COc1cccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 12800683 VJFPCQSXHLCPKE-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB Cc1cc2nnc(SCC(=O)NC3CC3)n2c2ccccc12 3496076 AGZSOIUFTYCUFW-UHFFFAOYSA-N 312.398 2.562 0 40 DFAB COCCCNC(=O)[C@@H](c1ccccc1)n1cnc2ccccc21 69619676 VWYCTPKRBNXMOV-GOSISDBHSA-N 323.396 2.778 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)n(C)c2ccccc21 12914828 YVZVFSFQYATHAY-CQSZACIVSA-N 323.396 2.526 0 40 DFAB C[C@H](c1ccncc1)N(C)C(=O)CNC(=O)CC1CCCCC1 69779442 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CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@H]3CCCC[C@H]3C2)c1 96007498 UNLLDIBULVJZOM-GASCZTMLSA-N 321.442 2.919 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@@H]1CCCc2ccccc21 8167321 PVOKBTLTTWBTSM-OAHLLOKOSA-N 320.414 2.990 0 40 DFAB Cc1ccc(-c2csc(CC(=O)N3CCOCC3)n2)s1 8297930 CHZMUGKWKRDKIM-UHFFFAOYSA-N 308.428 2.581 0 40 DFAB Cc1noc([C@@H]2CCCN(c3nc4ccccc4cc3CO)C2)n1 91455029 TUHBLQWWUGCKJV-CQSZACIVSA-N 324.384 2.803 0 40 DFAB Cc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 9368033 DOFQCUOLWZQNEW-UHFFFAOYSA-N 324.409 2.780 0 40 DFAB C[C@H](NC(=O)C1=COCCO1)c1cccc(C(F)(F)F)c1 9484272 XVFVMAYZMZDSHR-VIFPVBQESA-N 301.264 2.771 0 40 DFAB CNC(=O)[C@@H](C)CN(C)Cc1c(OC)ccc2ccccc12 93898756 UEWKZVZLGHCKON-ZDUSSCGKSA-N 300.402 2.662 0 40 DFAB COCCNC(=O)c1csc(Nc2ccccc2Cl)n1 9846131 ZVIQTIUTLPFGMM-UHFFFAOYSA-N 311.794 2.916 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 96496934 BQBNHUCUHMUPLE-ZDUSSCGKSA-N 322.453 2.684 0 40 DFAB O=C(c1cc(-c2ccccc2)no1)N1CCN2CCCC[C@@H]2C1 71839754 FQLXHFYSRFYHIH-OAHLLOKOSA-N 311.385 2.652 0 40 DFAB O=C(Nc1cccc(-n2cccn2)c1)N[C@H]1CCCC[C@H]1CO 78993336 OARSBKUZRXUKOS-BBRMVZONSA-N 314.389 2.545 0 40 DFAB c1csc([C@@H]2CN(c3ncnc4sccc34)CCO2)n1 97203812 AGHJLFQZFPKVFL-JTQLQIEISA-N 304.400 2.726 0 40 DFAB C[C@@H](CO[C@@H]1CCOC1)NC(=O)/C=C/c1cccc(Cl)c1 79057712 ZCXJTHZJHOXTTL-UCNGNXAWSA-N 309.793 2.663 0 40 DFAB CN1CCN(Cc2nc(-c3ccco3)no2)c2ccc(F)cc21 72857497 VUJZNSCTPMZSIC-UHFFFAOYSA-N 314.320 2.925 0 40 DFAB CC(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)nc1C 95977917 NACJCOFPFADDDQ-UHFFFAOYSA-N 300.333 2.591 0 40 DFAB CS[C@@H](CNC(=O)N(C)C[C@@H](C)O)c1cccc(Cl)c1 95983883 XCGXOORRJNYYMJ-MFKMUULPSA-N 316.854 2.766 0 40 DFAB O=C(Nc1cccc(F)c1)C1CCN([C@H]2CCCC[C@H]2O)CC1 95975623 ZBLQRQDTJIKXBF-DLBZAZTESA-N 320.408 2.780 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(=O)[nH]1 75120964 ORNVGTGQFZZOCX-QWRGUYRKSA-N 302.296 2.534 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c(=O)[nH]1 75118989 YEIDZAJDCVFCGI-ZDUSSCGKSA-N 318.373 2.789 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1OC 75139248 RQFIOLDCZZWMBS-AWEZNQCLSA-N 319.405 2.560 0 40 DFAB O=[S@@](CCn1cccn1)Cc1ccc(C(F)(F)F)cc1 89885037 BKYXGSBCHVELTK-HXUWFJFHSA-N 302.321 2.851 0 40 DFAB CCOCCCNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969591 LQXWXUDUDVTNHX-UHFFFAOYSA-N 321.808 2.741 0 40 DFAB Cn1cc(NC(=O)c2ncnc3ccsc23)c(C(F)F)n1 1540300053 IAIDMEWUCJOFDP-UHFFFAOYSA-N 309.301 2.615 0 40 DFAB COc1ccc(CNC(=O)c2ccc(F)cc2F)c(OC)c1 72331685 LFABQPZKSGNXEO-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB COCCOc1cc(C(=O)Nc2ccc(C)c(F)c2)ccn1 182270664 ZBYWJZMRFBTWLE-UHFFFAOYSA-N 304.321 2.807 0 40 DFAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 32842036 BYYUCQPSMZMYOA-JTQLQIEISA-N 316.382 2.912 0 40 DFAB Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 78997917 TXOKWDCVYZOLSA-GFCCVEGCSA-N 318.373 2.731 0 40 DFAB C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 79335607 QMAYGGYBOVRNAS-VIFPVBQESA-N 303.284 2.896 0 40 DFAB Cc1cccc(S(=O)(=O)N2CCc3nc(C)sc3C2)c1 41194400 LIJGLONOCVGWJG-UHFFFAOYSA-N 308.428 2.507 0 40 DFAB Cc1ccc(Cl)cc1CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2 190514628 DZVBYNNTMKAKNO-KBPBESRZSA-N 308.809 2.846 0 40 DFAB CCOc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2)c1 44640769 JGCALFKOBSEXRW-UHFFFAOYSA-N 312.369 2.974 0 40 DFAB Cc1cc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)nn1C 227165773 GPJWBGPSMJYNQT-ZDUSSCGKSA-N 309.373 2.792 0 40 DFAB Cc1ccsc1CNC(=O)CC1CN(C(=O)OC(C)(C)C)C1 81009673 FJCYKPLCMXDUMR-UHFFFAOYSA-N 324.446 2.930 0 40 DFAB O=C(Cc1ccc(I)cc1)C(F)(F)F 43212845 JHQOXKAOUYHDNC-UHFFFAOYSA-N 314.044 2.965 0 40 DFAB Cc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cc1C 224149065 FGBIABXNRVTWTF-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB COc1ncccc1C(=O)N1CCSC[C@H]1c1ccc(C)o1 81346407 JHDMHEIHYNEFRR-ZDUSSCGKSA-N 318.398 2.922 0 40 DFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 222897823 MNSCDBBMWVDKOB-LSDHHAIUSA-N 300.431 2.803 0 40 DFAB COCc1nc(CNC(=O)[C@H](C)OC)c(-c2ccccc2)s1 225654568 AXTDJSBZCHRBBN-NSHDSACASA-N 320.414 2.608 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)n2)cc1Cl 96421752 QCWWEBOYSKQOQJ-UHFFFAOYSA-N 317.776 2.998 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1C(C)C 96051766 NREZXZFNZMRBKC-MRXNPFEDSA-N 320.433 2.631 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](n2c(=O)oc3ccccc32)C1 94986152 HYORJRFADIQEOZ-NSHDSACASA-N 304.346 2.776 0 40 DFAB Cc1ccc(N2C[C@]3(CCN(C4CCOCC4)C3)CC2=O)cc1 96238498 VEVDNKDBHMPSOC-LJQANCHMSA-N 314.429 2.603 0 40 DFAB CCc1cnc(CNC(=O)NC[C@H](C)Oc2ccccc2)s1 96440270 XVMUQNFEGZFUGT-LBPRGKRZSA-N 319.430 2.972 0 40 DFAB O=C1CCC(=O)N1CCN1C[C@H]2CCCC[C@]21c1ccccc1 96481031 RYAXJSGTOMCTJS-APWZRJJASA-N 312.413 2.537 0 40 DFAB CCO[C@H](C)c1noc(CNc2ncnc3ccc(F)cc23)n1 96429780 BKBZMQUYHHLSPL-SECBINFHSA-N 317.324 2.862 0 40 DFAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(Cl)cc1 96041444 QJYISEKERHSOLC-RRFJBIMHSA-N 309.793 2.749 0 40 DFAB CN(Cc1ccco1)[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@@H]21 96057155 GOKWOQMCSKDVAR-JQHSSLGASA-N 304.434 2.601 0 40 DFAB CCc1ncncc1C(=O)Nc1ccc(OCC(C)C)nc1 96408105 JTGHBVXUZIIWDF-UHFFFAOYSA-N 300.362 2.721 0 40 DFAB CC(C)N1C[C@H]2CC[C@@H](C1)C2C(=O)NCCc1cccs1 96252379 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Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2noc(C)n2)c1 76043332 INBVLCGJBAWPFE-SWLSCSKDSA-N 315.373 2.817 0 40 DFAB O=C(c1ccc(F)c(F)c1F)N1CCCC[C@H]1c1nc[nH]n1 96494457 SOWUBHKHLMBXKW-JTQLQIEISA-N 310.279 2.589 0 40 DFAB C[C@@H](C(=O)NC1CCCCCC1)N1CCC(c2cn[nH]c2)CC1 97203014 FAKACCJSBFNQOI-AWEZNQCLSA-N 318.465 2.817 0 40 DFAB O=C(c1c(F)cccc1F)N1[C@H]2CC[C@@H]1c1snnc1C2 12234413 BZFZKNHXLZSBRX-WRWORJQWSA-N 307.325 2.718 0 40 DFAB CNC(=S)Nc1cccc2c(NC(=S)NC)cccc12 16189358 WZEHSJGFCONWKN-UHFFFAOYSA-N 304.444 2.672 0 40 DFAB Cn1ccnc1CN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 607854487 FCYWNKJTFFSCBN-MRXNPFEDSA-N 324.428 2.593 0 40 DFAB Cc1nn(C)c(Cl)c1S(=O)(=O)Oc1ccc(Cl)cc1 2577729 ODSLIDLIKRIZGU-UHFFFAOYSA-N 321.185 2.803 0 40 DFAB C[C@H](CCS(C)(=O)=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 127765543 KTADLENDXGYJRU-OUAUKWLOSA-N 301.374 2.520 0 40 DFAB CN1CCC(N2CC(n3c(C4CC4)nc4ccccc43)C2)CC1 1776008394 FUXVXRXWVDVMDH-UHFFFAOYSA-N 310.445 2.865 0 40 DFAB CC(C)C[C@H](CN)CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 585141559 XHIWYSCXPHQACJ-ZWKOTPCHSA-N 318.461 2.815 0 40 DFAB O=c1c(=O)n(-c2ccccc2F)ccn1CC1CCCCC1 2086949971 IFLMRDCQZQITCJ-UHFFFAOYSA-N 302.349 2.719 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C)cc2)C1 40160947 GAFJTYSFLAYLOC-OFAQMXQXSA-N 301.386 2.810 0 40 DFAB CCSc1nc2sc3c(c2c(=O)n1CC)CCN(C)C3 20289014 GMXJJPNHXFHMRE-UHFFFAOYSA-N 309.460 2.578 0 40 DFAB CS(=O)(=O)c1ccc(OCCOc2ccccc2F)cc1 40462491 ZCQKGTRMLHHCTA-UHFFFAOYSA-N 310.346 2.687 0 40 DFAB Cc1nc(CCNC(=O)c2cc(C)n(C(C)(C)C)n2)cs1 40553470 GNIJCVPPXWIUBD-UHFFFAOYSA-N 306.435 2.684 0 40 DFAB COC(=O)CSc1nnc(CNc2ccc(C)cc2C)o1 421969 MLABSDBKPSXSMA-UHFFFAOYSA-N 307.375 2.564 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 6621524 YGTMCRFFSFWHOX-WDMOLILDSA-N 304.415 2.948 0 40 DFAB CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 107406771 TVXBAJPOSYXSBQ-UHFFFAOYSA-N 322.361 2.609 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)C[C@@H](C)n2cccc2)C1 69870769 KUBNMECULCXCML-ZBFHGGJFSA-N 300.406 2.808 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 57355807 GAKWEKINGIPHBE-CJNGLKHVSA-N 313.357 2.531 0 40 DFAB CCCCNC(=O)Cc1noc(Cc2c[nH]c3ccccc23)n1 69848809 SCTZOQGHSXOIRI-UHFFFAOYSA-N 312.373 2.601 0 40 DFAB c1ccc(CN2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 107787681 JOQCVIZHLOVKKU-IEBWSBKVSA-N 324.428 2.712 0 40 DFAB COC(=O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 42236631 JGWYUVBDHPALRV-UHFFFAOYSA-N 315.291 2.731 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)cc1 101276002 QFVUJSDJDVVZCL-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB CC(C)COC1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1 54322503 YDMGYQOABHUVNP-UHFFFAOYSA-N 315.417 2.560 0 40 DFAB Cc1ccc(CNC[C@H]2CCO[C@H]2c2c(C)nn(C)c2C)o1 76042727 MEFYRDIZRORDPL-RHSMWYFYSA-N 303.406 2.806 0 40 DFAB Cc1ccc(OCC(=O)Nc2cnn(C)c2)c(Br)c1 25306378 SQFTZPMKKPVDAA-UHFFFAOYSA-N 324.178 2.509 0 40 DFAB C[C@@H]1CN(CCNC(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1 26224981 VJFQBMGBSFBKME-VXGBXAGGSA-N 311.813 2.571 0 40 DFAB O[C@H](CNc1cnc2ccccc2n1)COc1ccc(F)cc1 57149337 FKVRFJFRIFBAOG-CYBMUJFWSA-N 313.332 2.621 0 40 DFAB COc1ccc(OC)c(CN[C@@H](C)c2c(C)nn(C)c2C)c1 78553257 LBZLWBNBFVFZCD-NSHDSACASA-N 303.406 2.905 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)/C=C/c2cccnc2)cn1 58230479 AVHAEUDBJJYECB-QPJJXVBHSA-N 305.341 2.623 0 40 DFAB CN(C)CCN(Cc1ccncc1)Cc1ccc(F)c(F)c1 22913810 CBOAWIFTJGMPEW-UHFFFAOYSA-N 305.372 2.924 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F 58266012 IRFVJHFOEKOFHX-UWVGGRQHSA-N 324.343 2.891 0 40 DFAB CC(C)Oc1nnc(SCC(=O)NCc2ccccc2)s1 58215314 WQNUIULNPWXINW-UHFFFAOYSA-N 323.443 2.734 0 40 DFAB C[C@H](NC(=O)CCc1cccc(Cl)c1)C(=O)NC1CCCC1 58246052 SRKRBHXGRCYDLX-LBPRGKRZSA-N 322.836 2.836 0 40 DFAB Cc1cc(CNC(=O)c2ccc(O)nn2)c2[nH]c(C)c(C)c2c1 58308179 HOUANYNYDALUDU-UHFFFAOYSA-N 310.357 2.519 0 40 DFAB CN(CCCNc1nnnn1-c1ccccc1)Cc1ccccc1 12812883 ZAYKLSWSTOIALI-UHFFFAOYSA-N 322.416 2.596 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCc2ccccc2)C1 38880074 BESMPWHULNZSGH-CQSZACIVSA-N 305.374 2.987 0 40 DFAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)c2ccccc2N1 69452472 OHIMWYOLGBISIA-PBHICJAKSA-N 321.380 2.871 0 40 DFAB c1ccc(COc2ccc(CNCCn3cccn3)cc2)nc1 69925641 DEOJACJLWGGOEA-UHFFFAOYSA-N 308.385 2.647 0 40 DFAB Cc1cccc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c1 4169529 KGERADQKQHXFIL-MRXNPFEDSA-N 321.384 2.782 0 40 DFAB Cc1ccccc1-n1c(C)nnc1S[C@H]1C[C@H](C)OC1=O 8428602 FOIZAZXEZSDNGO-GWCFXTLKSA-N 303.387 2.680 0 40 DFAB COc1ccc2nc(N3CCCC4(C3)OCCO4)c(C)cc2c1 91623096 LZGJFGUMPKFVNV-UHFFFAOYSA-N 314.385 2.895 0 40 DFAB CCSc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1 69588330 BPVBUFLYYCBSSS-GFCCVEGCSA-N 304.419 2.658 0 40 DFAB O=C(COc1ccc2c(c1)CCCC2=O)NCc1cccs1 69582354 NLHCETVWEXKMGK-UHFFFAOYSA-N 315.394 2.962 0 40 DFAB CC(=O)c1cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)n(C)c1 65578575 MVIFHNVUUWUOIU-UHFFFAOYSA-N 323.356 2.574 0 40 DFAB CCn1cnnc1S[C@H](C)C(=O)NCc1ccc(Cl)cc1 14139843 SKWGZCICNVWWHO-SNVBAGLBSA-N 324.837 2.748 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2n[nH]cc2c1 69656458 ACUFBDIPFPAESR-AWEZNQCLSA-N 309.373 2.545 0 40 DFAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cn2ccccc2n1 69600631 LADQKFIIAZJZNW-UHFFFAOYSA-N 320.352 2.935 0 40 DFAB COc1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1 4673536 NUCFLBNSDTVQSE-UHFFFAOYSA-N 302.374 2.640 0 40 DFAB COC(=O)CCCn1nc(NC(=O)c2ccc(F)cc2)cc1C 4770144 NAXUEEIPGKSSJK-UHFFFAOYSA-N 319.336 2.536 0 40 DFAB Nc1nnc(SCc2nc(-c3ccc(F)cc3)no2)s1 7128585 AKPVMEHKPPDMEF-UHFFFAOYSA-N 309.351 2.602 0 40 DFAB CSc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7118925 ZSRXRURAKKNZQE-UHFFFAOYSA-N 311.366 2.897 0 40 DFAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7472516 HAYRBHQZUZRQBS-AWEZNQCLSA-N 300.402 2.979 0 40 DFAB Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c(=O)[nH]1 68379216 KIOLELQZYRNJDJ-KRWDZBQOSA-N 308.381 2.975 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2ncsc2c1 7784942 JATAZPJRQGQFJL-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB CCOc1ccc(N2C=Nn3c(nnc3SC(C)C)C2)cc1 19897463 MXFADWBOQBSELT-UHFFFAOYSA-N 317.418 2.989 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1 9871567 NRLZPOQBTHFFJC-VAWYXSNFSA-N 317.366 2.886 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)C12CCC2 96423899 WETRSUIAROHKTE-HZPDHXFCSA-N 313.401 2.569 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)c1cc2ccccc2c(=O)[nH]1 71821453 JHBWWMMAXKOXJM-NSHDSACASA-N 312.394 2.951 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 71866110 VVZGNGKFAMSBHL-HRCADAONSA-N 313.401 2.969 0 40 DFAB CCCS(=O)(=O)N1CCC[C@H]1CC(=O)c1cccs1 97046889 DVRIBOWBDJBSGM-NSHDSACASA-N 301.433 2.525 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)c2cc(F)ccc2F)cc1 97046442 YTLPSAUMAOIJRF-MRXNPFEDSA-N 321.323 2.779 0 40 DFAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ncccn3n2)cc1 72292638 GCUCYNIPURSSBP-CABCVRRESA-N 321.384 2.990 0 40 DFAB Cc1ccsc1CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 84257435 XPPDZJDQHSGXPD-CYBMUJFWSA-N 318.446 2.564 0 40 DFAB CC[C@@H](NC(=O)c1cccc2nn[nH]c12)c1nc2ccccc2[nH]1 97103905 SGVLGLRKNIZEOE-LLVKDONJSA-N 320.356 2.715 0 40 DFAB CCc1cc(C(=O)NCCN(CC)c2cccc(C)c2)[nH]n1 97218545 BBNVTZJEGSSGRU-UHFFFAOYSA-N 300.406 2.537 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1 95464067 QAWLJXOQJPBLSV-CYBMUJFWSA-N 322.723 2.820 0 40 DFAB CN(C(=O)CCCOc1cccc2ccccc12)c1nncn1C 95468141 DJQOYMNVORVOAO-UHFFFAOYSA-N 324.384 2.790 0 40 DFAB O=C(O)C1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 95425235 DBSKTKYLFZINIK-NZPNUOCISA-N 323.339 2.828 0 40 DFAB CCOC1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 84936961 ZUZLTADNWGPVAT-UHFFFAOYSA-N 309.387 2.622 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CC[C@](O)(C(F)(F)F)C1 98013089 YHSPBFQHABZWQB-LLVKDONJSA-N 311.662 2.618 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)N[C@@H]1CCCS(=O)(=O)C1 95984996 ADHQVFIUOTXETA-RDTXWAMCSA-N 317.454 2.938 0 40 DFAB O=C(Nc1cc(-c2ccccc2)on1)N[C@H]1CCc2[nH]ncc2C1 95975258 SSMNVAQBWBFIHW-ZDUSSCGKSA-N 323.356 2.744 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccc(F)cc2n1 95956880 DOMWRZJWKDLBMY-LLVKDONJSA-N 316.332 2.619 0 40 DFAB CCOC(=O)CCN(C)c1nc2cc(C)nn2c2ccccc12 89983690 LERCPJZUNPCFDV-UHFFFAOYSA-N 312.373 2.580 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20143891 BBNMOBWZWZXRJH-UHFFFAOYSA-N 315.325 2.670 0 40 DFAB CCCCN1CCC(NC(=O)c2n[nH]c3ccccc23)CC1 60149120 QZAMVWRVTNDFRJ-UHFFFAOYSA-N 300.406 2.557 0 40 DFAB O=C(C[C@@H](C(=O)O)N1CCCC1)Nc1ccc2ccccc2c1 65090405 BTKNFFDEYUQLTQ-INIZCTEOSA-N 312.369 2.717 0 40 DFAB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc2c(c1)CCC2=O 529109482 KSZTYSUXGLEWOH-DIFFPNOSSA-N 300.358 2.505 0 40 DFAB Cc1nc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)cs1 76712014 DNEGBJHKCWOLIS-SECBINFHSA-N 301.371 2.829 0 40 DFAB CC[C@@H](NC(=O)NCc1nccn1C)c1cc(F)ccc1F 77581656 HUPXNTZQCBNKTB-CYBMUJFWSA-N 308.332 2.649 0 40 DFAB N[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218485111 XSPYTTKCFOPLHJ-ZNMIVQPWSA-N 307.802 2.607 0 40 DFAB COCCn1nc(C)c(NC(=O)/C=C/c2ccc(F)cc2)c1C 79663271 XGAMGCVXVPXDMA-RMKNXTFCSA-N 317.364 2.937 0 40 DFAB Cc1n[nH]c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1-c1ccccc1 71282996 LJGNJTRSHOOMFC-OLZOCXBDSA-N 313.357 2.680 0 40 DFAB CCCc1nc(NCCCOCC)c2c(n1)c(C)nn2CC 72237839 FDAFFIFWWYLDFD-UHFFFAOYSA-N 305.426 2.946 0 40 DFAB C[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1ccccc1 42645674 SUOZOLTZOSWKJK-GFCCVEGCSA-N 300.333 2.684 0 40 DFAB Cc1cc(CC(=O)Nc2ccnn2Cc2ccc(C)s2)no1 81329011 MGJRWPYKMWOMEK-UHFFFAOYSA-N 316.386 2.779 0 40 DFAB Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2nnc(C)n2C)c1 195570270 LLEGQPULKSJRRA-IAGOWNOFSA-N 314.433 2.912 0 40 DFAB CCOc1cc(I)cc(C=O)c1OCC 225275068 QZKOIQBAGBWPMC-UHFFFAOYSA-N 320.126 2.901 0 40 DFAB COc1ccc(OCC(=O)Nc2c(C)cc(N)cc2C)cc1 45890401 GLIKHNWEAXKWIF-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB C[C@H]1CCCN(CCCNC(=O)CCc2ccccc2F)C1 46960076 DJLNEFDVRSBXPF-HNNXBMFYSA-N 306.425 2.997 0 40 DFAB CC(C)(N)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 40926048 WKMXFFIEQUXKPE-UHFFFAOYSA-N 301.356 2.565 0 40 DFAB CCS[C@H]1CC[C@@]1(O)CNCc1ccccc1-n1cccn1 84673680 AQUUFLWULKESEL-DLBZAZTESA-N 317.458 2.609 0 40 DFAB COCc1ncsc1C(=O)N[C@@](C)(C1CC1)C(F)(F)F 331809563 AVPPQMVASOHDAE-NSHDSACASA-N 308.325 2.750 0 40 DFAB Cc1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)o1 96058081 UGLBFCYTDOSLPB-BZSNNMDCSA-N 314.385 2.794 0 40 DFAB CCOC[C@@H]1CC2(CCN(C(=O)c3occc3C)CC2)CO1 96105882 RUXTYIDVDDOXDX-AWEZNQCLSA-N 307.390 2.636 0 40 DFAB COc1ccc(/C=C/c2nc(C3CCOCC3)no2)cc1O 97101850 XFTASSRYSRVEHO-HWKANZROSA-N 302.330 2.848 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97234498 YCZPTBCTUYCYFV-RRFJBIMHSA-N 306.410 2.604 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(Cc1ccccc1OC)C2 96039138 KVTRGWAYQHOSKL-ROUUACIJSA-N 305.418 2.713 0 40 DFAB CCN1CCO[C@@H](COc2cccc(Br)c2)C1 92056784 VEPOCYUEXKQNIY-CYBMUJFWSA-N 300.196 2.549 0 40 DFAB Cc1ccc(N2C[C@]3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1 96238476 YKGQBYFCTSAOFN-LJQANCHMSA-N 312.413 2.751 0 40 DFAB CCn1cc(C(=O)C(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)cn1 96485395 BQTYBZULVWYSET-OAHLLOKOSA-N 317.389 2.891 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)Cc2ccccc2)CC1 242581687 OBOLWGRFFHJTPT-BZSNNMDCSA-N 317.477 2.529 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 257270243 MTHKIZKTLVTIQG-MRXNPFEDSA-N 323.400 2.822 0 40 DFAB CC(C)N1CCC[C@@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257338915 YZKUQEXYZIYELN-MRXNPFEDSA-N 312.373 2.782 0 40 DFAB CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(Cl)cc1 257213203 CGOLPPHYNWSATP-HIFRSBDPSA-N 308.809 2.776 0 40 DFAB c1ccc(CN2CCC[C@H]2c2nccnc2-c2ncc[nH]2)nc1 257245375 IPFGLJQNPLXALM-AWEZNQCLSA-N 306.373 2.599 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(Cc2ccncc2C)C1 257208537 BMNYXRMRRQRHMT-OAHLLOKOSA-N 311.433 2.676 0 40 DFAB CC(C)c1ccc2c(c1)sc(=NC(=O)c1ccn(C)n1)n2C 252443941 AHRHQNRVXGAFLD-UHFFFAOYSA-N 314.414 2.838 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C 260769986 UMTFGVAVCWNDMW-IHRRRGAJSA-N 309.431 2.779 0 40 DFAB Cc1csc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)c1 575606368 OFOWHYVEDKCEED-LLVKDONJSA-N 323.805 2.793 0 40 DFAB O=C(NCCCCN1CCCC1)N[C@H]1CCOc2ccccc21 43165582 UOMAMZFVXZCZDC-INIZCTEOSA-N 317.433 2.685 0 40 DFAB CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(N)c2)CC1 47843988 GLRLHOILMUBOMP-UHFFFAOYSA-N 320.389 2.825 0 40 DFAB in-vitro Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2sc(C)nc2C)no1 56214809 JJBOBLXFWIHRLQ-WCBMZHEXSA-N 308.407 2.734 0 40 DFAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccncc1 58209494 ODTSSDXEULDHHO-ZDUSSCGKSA-N 315.804 2.991 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NCc1c(C)nn(C)c1N(C)C 58391206 MLUFMULFBCREFQ-CYBMUJFWSA-N 316.449 2.962 0 40 DFAB COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)c(O)c1 83927855 OXRPEEYMCATCMR-LSDHHAIUSA-N 313.353 2.695 0 40 DFAB Cc1nn(C)cc1-c1cncn1[C@H](C)Cc1c(C)nn(C)c1C 19719427 FZEJFFRGYNRJBB-LLVKDONJSA-N 312.421 2.746 0 40 DFAB NC(=O)c1ccc(OCc2cccnc2)c(Br)c1 226321207 ZVHWEPNPOSEUSJ-UHFFFAOYSA-N 307.147 2.522 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cn(C)nc2-c2ccco2)CCCO1 529233787 UQSSMHODRXOGJJ-LBPRGKRZSA-N 318.377 2.713 0 40 DFAB CO[C@@H]1CCN(Cc2cncn2C)C[C@H]1Cc1ccc(F)cc1 643914632 UEOTZRPGGCWTOR-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 25420588 HBZKKQLTRLHAFV-GOSISDBHSA-N 311.429 2.785 0 40 DFAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCC4CC4)[C@@H]32)Oc2ccccc21 2038073247 MYXDZAAGOQLBJG-TWILYEHCSA-N 311.381 2.573 0 40 DFAB O=C(N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1)C1(F)CC1 1614933454 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O=C(Nc1ccncc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32726878 NFXRJVIGOQJNLU-HNNXBMFYSA-N 321.380 2.562 0 40 DFAB O=C(NCCc1ccc(OC(F)F)cc1)NCc1cccnc1 32841269 QSJMILHADNMSPV-UHFFFAOYSA-N 321.327 2.725 0 40 DFAB CC(C)c1nnc(SCC(=O)NCc2ccc(F)cc2)o1 32863521 NZUBXJOOCBLRTH-UHFFFAOYSA-N 309.366 2.741 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)c1 32929596 WNLRSSNSDYTPPM-AWEZNQCLSA-N 323.458 2.666 0 40 DFAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1O 573013 QGEYUAKVZNERFW-GXDHUFHOSA-N 324.336 2.888 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccncc1 22260321 ORVCGLQKPHYONC-HNNXBMFYSA-N 315.348 2.614 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)no1 46986895 HVDFSWSVQPTCSV-JTQLQIEISA-N 314.345 2.750 0 40 DFAB Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9828085 PNJFMUCCPQJLNY-UHFFFAOYSA-N 310.353 2.712 0 40 DFAB CCN1CC[C@@H](CNCc2cc(Cl)c(OC)c(OC)c2)C1 37644478 BABXVLUJKGLDAJ-LBPRGKRZSA-N 312.841 2.789 0 40 DFAB NC(=O)c1cccc(C(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)c1 106802618 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CCN(C(=O)COc1cccc(OC)c1)c1ccc(OC)nc1 58849883 QSMRUUFYLCXQSV-UHFFFAOYSA-N 316.357 2.531 0 40 DFAB CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OC 22075992 RBWINCUEIREDJN-MRXNPFEDSA-N 301.386 2.917 0 40 DFAB CC[C@@H](C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 45773337 RHFGAOUUCYXHMS-GFCCVEGCSA-N 301.390 2.539 0 40 DFAB COc1ccccc1CNC(=O)COc1ccc(C)cc1OC 3510605 QZHJWVOYIHLNRG-UHFFFAOYSA-N 315.369 2.707 0 40 DFAB O=C(O)c1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O 3887870 ARCDSLUROOXTCW-UHFFFAOYSA-N 308.293 2.936 0 40 DFAB CCOC[C@@H]1CCN(C(=O)N[C@H](c2ccccn2)C(C)C)C1 81497248 KYWHXEYCWHJCIQ-ZBFHGGJFSA-N 305.422 2.847 0 40 DFAB COc1ccc(CCCNC(=O)NCc2ccco2)cc1OC 64960425 XYAFWLKIMRXNPF-UHFFFAOYSA-N 318.373 2.729 0 40 DFAB CC(C)(C)c1noc(CN2CCC(N3CCCCC3)CC2)n1 65575404 MBLHYXDDJDUZOK-UHFFFAOYSA-N 306.454 2.817 0 40 DFAB Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 29596781 GTHLTVCFISZFHE-UHFFFAOYSA-N 323.299 2.850 0 40 DFAB COc1cccc(CNC(=O)/C=C/c2ccc3c(c2)CCO3)c1 14183742 DKFGZECXEGAFOY-SOFGYWHQSA-N 309.365 2.960 0 40 DFAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)o1 4668922 UBZFNKKTXCARFG-UHFFFAOYSA-N 306.372 2.719 0 40 DFAB CCc1nc2sc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 18087896 QXQMZFYHEJJLOC-UHFFFAOYSA-N 315.398 2.947 0 40 DFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCc1ccc(F)cc1 69667115 SKJBAIORVIUKJL-KRWDZBQOSA-N 312.388 2.931 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 8726441 NZTKFMVCJDREFW-UHFFFAOYSA-N 304.296 2.967 0 40 DFAB CC(=O)N1CCC(NC(=O)N2CC[C@@H](C)c3ccccc32)CC1 96998309 OXXLSBUAESRXDO-CYBMUJFWSA-N 315.417 2.721 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)CCCc3cccs3)c12 72286160 VALQZKYLGXLUDO-UHFFFAOYSA-N 317.418 2.882 0 40 DFAB CC(=O)NCCNc1nc(-c2ccsc2)nc2ccccc12 9153957 JVYRJVAMOYTVHM-UHFFFAOYSA-N 312.398 2.906 0 40 DFAB COCCS(=O)(=O)NCc1cccc(Oc2ccccc2)c1 72230508 ZIWZCUUQLYACAZ-UHFFFAOYSA-N 321.398 2.545 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@H]1CCc3ccccc31)C2 72285653 UWLRVBAMDOXQCY-HZPDHXFCSA-N 309.413 2.743 0 40 DFAB Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccn2)n1 9461991 CWALGRPBEWUWQY-UHFFFAOYSA-N 318.340 2.556 0 40 DFAB Cc1occc1CNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 96446969 VTCXURFMMWYWFO-JKSUJKDBSA-N 300.358 2.917 0 40 DFAB CO[C@H](C)C(=O)NCCCc1cccc(Br)c1 71888906 QKKLSLHBJUWSJR-SNVBAGLBSA-N 300.196 2.533 0 40 DFAB C[C@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)n1ccnc1 71820035 ACSGTKXCEFFJHL-IUODEOHRSA-N 319.792 2.698 0 40 DFAB COc1c(NC(=O)c2cc3c(F)cccc3[nH]2)c(C)nn1C 71908889 UAPORTCMMMRUSV-UHFFFAOYSA-N 302.309 2.610 0 40 DFAB O=C(NCc1cn2ccsc2n1)N1CCc2ccccc2C1 71925358 RJDDXIYIGMJWSF-UHFFFAOYSA-N 312.398 2.664 0 40 DFAB Cc1cc(CN2CCN(C(=O)c3cc(C)sc3C)CC2)no1 71927900 MTYZRWWQTALXHM-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB CCN(C(=O)NCCCn1ccnc1C)[C@@H](C)c1cccnc1 71909184 JOSYIHIWSVXMSU-AWEZNQCLSA-N 315.421 2.769 0 40 DFAB CCc1nnc(CS(=O)(=O)c2ccc3ccccc3c2)o1 79052738 XBUDXLQDINIXHG-UHFFFAOYSA-N 302.355 2.759 0 40 DFAB CC[C@H](C)N(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 95351038 YCWXCLKTFSAAHC-LBPRGKRZSA-N 324.421 2.771 0 40 DFAB O=c1[nH]ncc(N[C@@H]2CCCOc3ccc(F)cc32)c1Cl 95369409 AKUVUSJKLUMZJD-SNVBAGLBSA-N 309.728 2.888 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)c1c[nH]c2ccccc2c1=O 84640952 MHKDHISVRAHBIJ-NSHDSACASA-N 312.394 2.951 0 40 DFAB O=C(Cc1ccon1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95434228 GXDHGDDYDTWXLD-CABCVRRESA-N 318.373 2.705 0 40 DFAB CCO[C@@H](CC)C(=O)NC[C@H](O)c1ccc2ccccc2c1 95417146 RPGOSDWEKCBPJI-IRXDYDNUSA-N 301.386 2.805 0 40 DFAB CSC[C@@H](C)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 95464450 DYDQZWWDBDSPHK-CHWSQXEVSA-N 301.452 2.568 0 40 DFAB C[C@@H](CN[C@H](C)c1ccccc1OC(F)F)N1CCOCC1 95419671 LAQYIMBIXOQEQJ-QWHCGFSZSA-N 314.376 2.659 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 84812029 KDQUYTUGGPULCM-GFCCVEGCSA-N 319.430 2.604 0 40 DFAB CCn1cc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cn1 95949041 ZRJSOYBHYMERCJ-QGZVFWFLSA-N 324.384 2.806 0 40 DFAB C[C@H]1C[C@@H](OC(=O)CCC(=O)c2ccc(Cl)s2)C(=O)O1 95955999 JCFIXBWVTVLCKB-IONNQARKSA-N 316.762 2.612 0 40 DFAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc[nH]1 95977702 QTCADWXLLOMVOV-ZETCQYMHSA-N 305.388 2.534 0 40 DFAB CNC(=O)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1 95992538 BGQNCQJLVHIKIT-UHFFFAOYSA-N 324.428 2.518 0 40 DFAB O=c1c2ncccc2cnn1Cc1coc(-c2cccs2)n1 75143507 HLIFNFMZZFAYNW-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB COC(=O)c1ccc(CSc2nc(-c3ccco3)n[nH]2)o1 408555691 HYGGLGLXUVVBKI-UHFFFAOYSA-N 305.315 2.737 0 40 DFAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccco2)cc1 408709914 ZJIOURLKBWYHBD-UHFFFAOYSA-N 316.357 2.713 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nc2ccc(F)cc2s1)C(C)C 32976317 DFRLLMYMHWBKDP-LBPRGKRZSA-N 309.366 2.535 0 40 DFAB Cc1ccsc1CN(C)C(=O)c1ccc(NC(N)=O)cc1 32721339 OUDSERPOLFWPPF-UHFFFAOYSA-N 303.387 2.819 0 40 DFAB CC(C)c1ccc(NC(=O)N(C)CC2(O)CCOCC2)cc1F 186773937 RULVMMQKBSUPNM-UHFFFAOYSA-N 324.396 2.954 0 40 DFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cccs1 71283198 ZJBHMTRJXINREY-JTQLQIEISA-N 319.386 2.940 0 40 DFAB Cc1ccc(C[C@H]2CCCN2C(=O)C(=O)Nc2cccnc2)cc1 72856083 GNIPXPCBUZGUHF-QGZVFWFLSA-N 323.396 2.562 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cccc(-c2cccc(C(N)=O)c2)n1 72355793 GOZMSJCOAHAABV-QGZVFWFLSA-N 309.369 2.531 0 40 DFAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 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C[C@@H]1CCN(c2ccc(NC(=O)N3CCC[C@@H]3CO)cc2)C1 96411506 NOMLDIUPSNGLTC-CZUORRHYSA-N 303.406 2.521 0 40 DFAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)N(C)C)C[C@@H]21 96058338 SUYYWZCMDNVILT-ULQDDVLXSA-N 301.434 2.779 0 40 DFAB CC(C)Oc1ccc([C@@H](O)CNC(=O)C[C@H]2C=CCC2)cc1 96407917 UVXYQOFAIKXSMS-YOEHRIQHSA-N 303.402 2.980 0 40 DFAB Cc1ccccc1C(=O)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246186 ARODQGJNWKQXJZ-DLBZAZTESA-N 321.424 2.989 0 40 DFAB Cc1ncsc1CN1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046141 ORGPAOQQDWRSCC-NWANDNLSSA-N 316.430 2.594 0 40 DFAB Cc1cnc(CNC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)s1 96439390 IKHFKFYMNRSAPB-GFCCVEGCSA-N 324.494 2.761 0 40 DFAB CC(C)(C)NC(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254144 HAHRBZQJJMONMI-GFCCVEGCSA-N 314.389 2.591 0 40 DFAB COc1cccc(NCCc2nc([C@H](N)c3ccccc3)n[nH]2)c1 95533426 RYOZSFVFTZBUMI-QGZVFWFLSA-N 323.400 2.516 0 40 DFAB C[C@@](O)(C1CCN(C(=O)c2cccc(O)c2)CC1)C(F)(F)F 97095338 RLANOIMUHPSHHC-CQSZACIVSA-N 317.307 2.558 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)oc3ccccc32)C1 94986153 HYORJRFADIQEOZ-LLVKDONJSA-N 304.346 2.776 0 40 DFAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccoc1C)C2 96077023 RPCVTKFLBDGVCO-KRWDZBQOSA-N 304.390 2.595 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)[C@H](C)Oc1ccccc1 245287222 BNHXGSCBAXQZKF-QBYUYEEZSA-N 320.433 2.645 0 40 DFAB CCc1noc([C@H](C)N2CCN(Cc3ccccc3)CC2)n1 42651711 DCOCRZDNRWMTCD-AWEZNQCLSA-N 300.406 2.511 0 40 DFAB OCCN1CCC2(CC1)CO[C@H](Cc1cccc(Cl)c1)C2 257218925 DEVUTJUPDFSIAN-MRXNPFEDSA-N 309.837 2.746 0 40 DFAB COc1cccc(CC(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)c1 257304864 SNLLFJKAXDLDOW-HNNXBMFYSA-N 313.401 2.675 0 40 DFAB CN1CCC(Cc2ccccc2F)(C(=O)NC2CCC2)CC1 257290751 QEEACWZTVOYMTC-UHFFFAOYSA-N 304.409 2.749 0 40 DFAB Cc1ccc2cc(C(=O)NCc3cn4c(n3)CCCC4)[nH]c2c1 263772974 KIBMERUGZWMPIE-UHFFFAOYSA-N 308.385 2.939 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccccc3)n2)c1 57182589 LGECGVBCESAGEW-UHFFFAOYSA-N 308.341 2.714 0 40 DFAB C[C@@H]1CCCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 72552694 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CC(C)C(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 38890199 KICOZSCKSDCEHS-UHFFFAOYSA-N 309.479 2.741 0 40 DFAB CCN1CC[C@]2(CCCN(C(=O)c3ccccc3)CC2)C1=O 1614946850 DIQKKFZRDPNTTJ-SFHVURJKSA-N 300.402 2.551 0 40 DFAB C[C@H]1C[C@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)CC[C@@H]2O1 1565551993 MWIKFFRTRPIZMI-DLOVCJGASA-N 314.307 2.740 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccc(OC)cc2)cc2cccnc21 5304036 WOHZKSVVFUFAAA-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB CSc1ccc([C@@H](O)CNc2ncnc3cnccc23)cc1 1775971315 MQEZTRSHDJISJE-HNNXBMFYSA-N 312.398 2.892 0 40 DFAB Cc1cc(C(=O)NC[C@](O)(c2cccs2)C2CC2)c(C)o1 75155273 SKVZZDOQWARBIT-MRXNPFEDSA-N 305.399 2.986 0 40 DFAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccccc1O 30128744 TXOZZRBATIUOMO-UHFFFAOYSA-N 310.353 2.767 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1ccccc1F 137319 JJGBFADTWZZBEX-UHFFFAOYSA-N 302.334 2.599 0 40 DFAB Cn1nc(O)c2c(C(=O)N3CCCCCC3)cc(C3CC3)nc21 31807097 RGUBKVRAYMPOPN-UHFFFAOYSA-N 314.389 2.568 0 40 DFAB COc1ccc(NC(=O)CCN2CCC(C)CC2)c(OC)c1 256838 LVQAPSCDVLAIID-UHFFFAOYSA-N 306.406 2.764 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 249089 YBESPLHEOCGMTK-AAEUAGOBSA-N 313.419 2.561 0 40 DFAB C[C@@H]1Cc2ccccc2N1CCNC(=O)Cc1cccc(O)c1 101659158 UPRQIOCCFUXXPA-CQSZACIVSA-N 310.397 2.502 0 40 DFAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccccc1 534533 SKURYGPOQFMDFY-FPMFFAJLSA-N 318.369 2.636 0 40 DFAB CCCNC(=O)Nc1ccc(Br)cc1C(=O)OC 29753810 CWYLVBOJENUMPR-UHFFFAOYSA-N 315.167 2.767 0 40 DFAB in-vitro O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc[nH]c1=S 29800433 DGEDKEKKECWEDJ-UHFFFAOYSA-N 315.354 2.953 0 40 DFAB COC(=O)c1cc(COC(=O)c2cccnc2SC)oc1C 2634399 ZHJFTOZSJPMENA-UHFFFAOYSA-N 321.354 2.849 0 40 DFAB NC(=O)[C@@H]1CCN(c2nc(-c3ccccc3)c3ccccc3n2)C1 52393199 BOTNMRQEXNCYJS-CQSZACIVSA-N 318.380 2.608 0 40 DFAB CCc1ccc(S(=O)(=O)NCCc2csc(C)n2)s1 4166847 MAUXOLGDHTVXFZ-UHFFFAOYSA-N 316.473 2.596 0 40 DFAB FC(F)(F)c1cccnc1N[C@@H]1CCCN(c2ncccn2)C1 52427047 MMKPEQLMXZXGMC-LLVKDONJSA-N 323.322 2.971 0 40 DFAB Cc1ccc(CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250431 VTSHIFNQEPWELO-UHFFFAOYSA-N 300.387 2.635 0 40 DFAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)ccn1 60591057 WXPSAVFEIXVMRF-UHFFFAOYSA-N 316.748 2.517 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 60556247 COABWNMOULKWTE-ZACQAIPSSA-N 318.461 2.828 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@@H]12 107845234 CHYJWVKVZYFTJL-UYAOXDASSA-N 321.424 2.570 0 40 DFAB CCOC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1C)C(C)C 32912153 GMFMPEPTOGLUTE-ZFWWWQNUSA-N 306.406 2.943 0 40 DFAB CC(=O)N1CCC(C(=O)Nc2nc3ccc(F)cc3s2)CC1 32976321 GEOADWDLQJQYNZ-UHFFFAOYSA-N 321.377 2.632 0 40 DFAB COC(=O)C[C@@H](NC(=O)CCc1ccco1)c1ccccc1 52974462 SYCYECUXDVGSLO-OAHLLOKOSA-N 301.342 2.633 0 40 DFAB O=c1/c(=C\c2ccc(F)cc2)sc2nnc(-c3ccccc3)n12 9189056 ZBEQVTFFFMOXSX-GXDHUFHOSA-N 323.352 2.505 0 40 DFAB COC1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1 53884962 VCHJFXJYZTWXTH-UHFFFAOYSA-N 300.358 2.901 0 40 DFAB Cc1cc2n(n1)C[C@@H](CN[C@@H](C)c1sc(C)nc1C)CN2 69350968 BYCFKLZTGICPLT-GWCFXTLKSA-N 305.451 2.657 0 40 DFAB CCc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 101279255 CBDMMLUXXBUSJP-MDOLAMBHSA-N 311.381 2.956 0 40 DFAB CN(CCOc1ccccc1Cl)C(=O)/C=C/c1cnn(C)c1 24391090 IJRMODZCPPJRJV-BQYQJAHWSA-N 319.792 2.624 0 40 DFAB Cc1noc(C)c1CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 24377896 FFKUMBVYQLLEHV-UWVGGRQHSA-N 305.378 2.538 0 40 DFAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(F)cc1Cl 101718950 DDRLCJAJWJTYHB-SECBINFHSA-N 309.724 2.672 0 40 DFAB O=C(NC1CC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 107496153 RXHWPQNVVVRJLV-PVAVHDDUSA-N 312.413 2.739 0 40 DFAB CC(C)c1ccc(NC(=O)COn2nnc3ccccc32)cc1 3249715 QCICZTGVLCZCKP-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB C[C@H](NC(=O)NCc1nc2ccccc2s1)[C@@H]1CCCO1 26400080 MMCWTSQOVQTHRJ-JQWIXIFHSA-N 305.403 2.663 0 40 DFAB O=C1NCCC[C@H]1Nc1nc(-c2ccccc2)c2ccccc2n1 58162869 ZBGIQURKVBDCHL-MRXNPFEDSA-N 318.380 2.987 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN1C(=O)Cc1ccc2ccccc2c1 44890076 GGXPQTQSMLVUNP-GOSISDBHSA-N 322.408 2.652 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COc1nncc2ccccc12 3357835 NBTIRRDXMNOYBY-ZDUSSCGKSA-N 319.364 2.986 0 40 DFAB C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCO1 36744501 NTJVQOIELXEYDE-BLLLJJGKSA-N 301.390 2.577 0 40 DFAB CCOC(=O)c1cccnc1N1CCO[C@H](c2ccccc2)C1 48314360 FKCNRSAOJGOUGI-INIZCTEOSA-N 312.369 2.836 0 40 DFAB COc1ccc2nc(NC(=O)N3CCSCC3)sc2c1 48354830 ONCNVGZKPCEZCE-UHFFFAOYSA-N 309.416 2.886 0 40 DFAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)o1 12815305 AELNEMWJNLYYQJ-ZETCQYMHSA-N 313.329 2.626 0 40 DFAB CC(C)CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408535972 UWEOCGAMYLZYQV-UHFFFAOYSA-N 302.378 2.853 0 40 DFAB CCCNC(=O)c1cc(OC)c(Br)c(OC)c1 12926568 ZPGDGUVFSXGJPP-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB O=C(COc1ccccc1)NCCc1ccc(-n2cccn2)cc1 12943794 KUXXFWLYTIDASE-UHFFFAOYSA-N 321.380 2.610 0 40 DFAB CC[C@H](NC(=O)CCN1CCSC1=O)c1ccc(OC)cc1 13010896 ORQXHELGCUWDKM-AWEZNQCLSA-N 322.430 2.821 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)C1 69570482 HFHBRBNKKAFHJB-GDBMZVCRSA-N 315.417 2.941 0 40 DFAB CN(CCn1cccn1)C(=O)CCc1ncc(-c2ccccc2)o1 69625337 PVRBBZFHUFBZRN-UHFFFAOYSA-N 324.384 2.629 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 4399657 WNAWNHNQFKZKPV-LXZKKBNFSA-N 302.393 2.772 0 40 DFAB CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 65563157 FOEDWQDVMIJLFU-ZDUSSCGKSA-N 321.446 2.718 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1 14141993 QNJZHQNBFUHFQV-CYBMUJFWSA-N 303.406 2.848 0 40 DFAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)C 14398192 XORJSAJGQXIBBG-AWEZNQCLSA-N 306.450 2.819 0 40 DFAB CCOc1ccc(F)cc1NC(=O)[C@H]1CCCN1C(=O)C1CC1 66494401 WLYJPCLYFGNWKU-CQSZACIVSA-N 320.364 2.564 0 40 DFAB CSCC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 7007533 TVAIUBUVBZEGDT-UHFFFAOYSA-N 304.367 2.688 0 40 DFAB Clc1ccc([C@@H](NCC2CCOCC2)c2ncon2)cc1 90201997 PKGXCHLKZKYHBF-CQSZACIVSA-N 307.781 2.829 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)c1 7250262 HTGBQDWSPDWXAY-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB CCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 7768711 HDZONUGPVXAMJK-UHFFFAOYSA-N 310.419 2.600 0 40 DFAB Cc1ccccc1CSCC(=O)NCCCn1ccnc1 408564315 VOZNROZNQAXZKZ-UHFFFAOYSA-N 303.431 2.631 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1OCC 8041739 KDXXZPXQFGWTAN-UHFFFAOYSA-N 313.419 2.659 0 40 DFAB CCN(CC(F)(F)F)C(=O)c1cccc(-c2n[nH]c(C)n2)c1 81621700 ZXTSNCJUWWJCEF-UHFFFAOYSA-N 312.295 2.805 0 40 DFAB CO[C@@H](C(=O)N[C@H](c1nc(C)no1)C(C)C)c1ccccc1 96003835 RAGUDBOGWAREOK-UONOGXRCSA-N 303.362 2.579 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1 96008745 LMTYNNVPXMOSRI-JKSUJKDBSA-N 322.474 2.783 0 40 DFAB C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)CCS1(=O)=O 97057369 JCDRHZACAXLQGM-CYBMUJFWSA-N 321.398 2.691 0 40 DFAB Cn1cnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc21 97039119 KURSUNGQDLBRGC-UHOFOFEASA-N 312.369 2.688 0 40 DFAB C[C@](Cc1ccccc1)(NC(=O)c1ccccc1F)C(=O)O 97018116 OPSQJMVOHGADJS-QGZVFWFLSA-N 301.317 2.642 0 40 DFAB CCc1noc(CN2CCC[C@H]2c2cc(OC)ccc2OC)n1 71794667 KVNGCWISIGVVPI-AWEZNQCLSA-N 317.389 2.986 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(F)ccc1F 23502614 YIMVXGQSSVYGRR-UHFFFAOYSA-N 307.252 2.711 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@H]1COc2ccccc21)c1cccs1 71904520 YTBFYJJYAHNQTF-KBPBESRZSA-N 316.426 2.643 0 40 DFAB CCS(=O)(=O)c1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 97139024 DDZTVKYFLXERLM-XHSDSOJGSA-N 321.442 2.850 0 40 DFAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)NCc1ccccc1 97140035 CLXKUVCDKLSVFL-CYBMUJFWSA-N 300.406 2.755 0 40 DFAB Cc1nc(CN2CCOC[C@H]2CC(=O)c2ccccc2)cs1 97162979 FYECVLRCZTVQPJ-MRXNPFEDSA-N 316.426 2.925 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 72305947 XDOYBTPQVQDKAP-LBPRGKRZSA-N 308.378 2.606 0 40 DFAB Cc1cc(NCc2nnc(C)n2C)ccc1C(=O)OC(C)(C)C 97233492 RTAQJRKGFZHPTA-UHFFFAOYSA-N 316.405 2.999 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C(N)=O)c(C)n1 72527854 RFXMFSMEDDQZTA-UHFFFAOYSA-N 303.749 2.703 0 40 DFAB C[C@H]1CN(c2ncnc3sccc23)CCN1c1nccs1 95351519 WGPJFCCPTLMREF-JTQLQIEISA-N 317.443 2.863 0 40 DFAB COCCn1nc(C)c(CN[C@@H]2CC(C)(C)OC2(C)C)c1C 95420925 WFBFUTVVCFKWGF-OAHLLOKOSA-N 309.454 2.582 0 40 DFAB Cc1nc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)c2ccccn12 95404945 VCYZWWSVTRRTSC-UKRRQHHQSA-N 310.357 2.790 0 40 DFAB Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c[nH]1 95448147 IZCAWXGDBYJYBN-UHFFFAOYSA-N 308.740 2.748 0 40 DFAB COC(=O)N1CCC[C@@H](N[C@@H]2CCc3c(OC)cccc32)C1 95421606 ORXAZTRQLIBEOF-IUODEOHRSA-N 304.390 2.503 0 40 DFAB CC[C@H](OC1CCCCC1)C(=O)Nc1ccsc1C(N)=O 95971659 CMIDVGZVVUVVEF-LBPRGKRZSA-N 310.419 2.913 0 40 DFAB COc1ccc(OC)c(NC(=O)C[C@H](C)[C@H]2CCCNC2)c1 95967038 HUGUXFPHWQFYQV-STQMWFEESA-N 306.406 2.668 0 40 DFAB COc1ccc([C@H](C)NCC(=O)N2CCCCCC2)c(OC)c1 95984432 CPOPNSIIYQSARB-AWEZNQCLSA-N 320.433 2.757 0 40 DFAB CCCCOCCCNC(=O)c1coc(Br)c1 74290433 XBVGCPMHFVTDOE-UHFFFAOYSA-N 304.184 2.979 0 40 DFAB Cc1ncsc1CNS(=O)(=O)C[C@H](C)c1ccccc1 89565559 LWNNUMIAOMNNLZ-NSHDSACASA-N 310.444 2.675 0 40 DFAB COc1ccccc1C(=O)N1CCOC[C@H]1c1ccc(C)o1 89652836 FNMDDDVUSQRKHX-AWEZNQCLSA-N 301.342 2.810 0 40 DFAB O=C(O)c1csc(NS(=O)(=O)/C=C/c2ccccc2)c1 89821477 WVQYOCNJZAMHBH-VOTSOKGWSA-N 309.368 2.859 0 40 DFAB CCCC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccco2)CCC1 89949893 NXRJIVPQXOIVCC-CQSZACIVSA-N 318.417 2.971 0 40 DFAB COc1ccc(Cl)cc1NC(=O)COc1ccc(CN)cc1 36720764 CIIKSOKOHJCNGK-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB CNC(=O)c1ccc(NC(=O)N2CCC[C@H](C)CC2)c(OC)c1 529186043 RZSAHHPJLPAUGT-LBPRGKRZSA-N 319.405 2.709 0 40 DFAB CCCN1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 32501793 XMDYBZAKYIAFHE-ZDUSSCGKSA-N 310.825 2.662 0 40 DFAB COc1ccc2ccccc2c1[C@H](CN)N1C[C@H](C)O[C@H](C)C1 33455599 RHKIELOGOLFZBF-VBQJREDUSA-N 314.429 2.957 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)cc1 71285062 GMQSSXFQAHZXSQ-CHWSQXEVSA-N 318.373 2.576 0 40 DFAB COc1cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)ncn1 79438955 DFLVSNFMDMZFCU-GFCCVEGCSA-N 322.409 2.687 0 40 DFAB CCCC[C@@H](CC)CNC(=O)c1ccccc1-n1nnnc1C 72406501 PSXJEJOAENXVCN-CQSZACIVSA-N 315.421 2.917 0 40 DFAB C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H](c1ccco1)N(C)C 40086494 QFTNIYNICAIPHE-WFASDCNBSA-N 320.364 2.605 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)c1 226265425 NKWPVVPBMKFCRT-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)N2CC[C@H](CN(C)C)C2)cc1 195570344 VHYBENLBCSKTKF-LSDHHAIUSA-N 319.449 2.739 0 40 DFAB CC(C)CC[C@@H]1CCCCN1C(=O)c1cnc(C(=O)O)cn1 567902477 NCWNNXXFPJLONJ-LBPRGKRZSA-N 305.378 2.606 0 40 DFAB CCn1ccc(NC(=O)CCn2ncc3c(Cl)cccc32)n1 40759688 DBVJOZXUYDUTGA-UHFFFAOYSA-N 317.780 2.935 0 40 DFAB Cn1cc(C(C)(C)NC(=O)[C@@H]2SCCc3sccc32)cn1 80476269 IHPCNQZGVOADIY-CYBMUJFWSA-N 321.471 2.864 0 40 DFAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1 225885625 KUZPWFJRJBWCEJ-INIZCTEOSA-N 310.394 2.641 0 40 DFAB COc1nc(C)cc(C)c1CNc1cccc2c1CCNC2=O 575972597 DMGCCIRCVFCJAK-UHFFFAOYSA-N 311.385 2.605 0 40 DFAB Cc1cccc(NCc2ccc(CN3CCC(O)CC3)cc2)n1 195566819 OMFWSRJFAGSXEN-UHFFFAOYSA-N 311.429 2.959 0 40 DFAB CC(=O)Nc1nc(CN[C@@H](C)[C@@H]2COc3ccccc32)cs1 97374667 DNGHYVIICUKTTL-HZMBPMFUSA-N 317.414 2.756 0 40 DFAB CC(C)Oc1ccccc1C[S@@](=O)CC(=O)NC1CCCC1 96404432 LJZSMPNEXBZMPX-QFIPXVFZSA-N 323.458 2.781 0 40 DFAB COc1cccc(N2CCC[C@@H](NC(=O)c3ccoc3)C2)c1 96409267 XCJLDRAWSHXUPL-CQSZACIVSA-N 300.358 2.687 0 40 DFAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2cccs2)N1c1ccsc1 96111206 MJPADSOJRUFPCP-NWDGAFQWSA-N 318.423 2.830 0 40 DFAB Cc1cc(Br)c2c(c1)c1nnc(S)nc1n2C 96319337 BJXKLVSPACNGSB-UHFFFAOYSA-N 309.192 2.876 0 40 DFAB CN(Cc1nc2c(s1)CCCC2)[C@H](C(N)=O)c1ccccc1 96448003 SHMFJLVSSOFKBT-INIZCTEOSA-N 315.442 2.680 0 40 DFAB Cc1nc(COCc2n[nH]c3c2CN(CC2CC2)C3)cs1 96260238 DLLJKFXFGNODBK-UHFFFAOYSA-N 304.419 2.617 0 40 DFAB CCc1ccc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)o1 96408208 QUTOYMMUDPKQLV-UHFFFAOYSA-N 321.398 2.947 0 40 DFAB Cc1csc(-c2cccc(OCCCS(C)(=O)=O)c2)n1 96451841 CDVXNSBPJBTXNV-UHFFFAOYSA-N 311.428 2.932 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@H]2CO)cc1 242687682 UPITURDJJDGSDJ-GVDBMIGSSA-N 320.385 2.682 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@@H]1c1ccncn1 257336797 YQBJKZBDFPQTHQ-CQSZACIVSA-N 301.321 2.602 0 40 DFAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@H]2NCCCC[C@@H]2C1 257341250 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C[C@@H](NC(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 15197112 UFVIBALZTMYEQW-GFCCVEGCSA-N 303.383 2.581 0 40 DFAB CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 19693172 OTBTZLCPVWMQTR-CQSZACIVSA-N 317.776 2.717 0 40 DFAB CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 325046 ROBIKHYXHUWQQY-UHFFFAOYSA-N 300.362 2.646 0 40 DFAB CC(C)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985267 DEHFVIORHVHHHS-SFHVURJKSA-N 302.418 2.683 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)NC1CCCCCC1 5251445 YIINIFHOOJWAGU-UHFFFAOYSA-N 304.390 2.863 0 40 DFAB CN(Cc1ccncc1)[C@@H]1CCC[C@H]2CN(c3ncccn3)C[C@H]21 2053600809 ZNDMEKYWEMTVBW-RCCFBDPRSA-N 323.444 2.609 0 40 DFAB CCCSc1nnc2c(=O)n(-c3ccc(C)cc3C)ccn12 2298136762 VWXUIRUICXZVSQ-UHFFFAOYSA-N 314.414 2.999 0 40 DFAB Cc1nnc2n1-c1nnc(C)n1-c1sc3c(c1-2)CCCCC3 169063 NSKRTUUBATVVDH-UHFFFAOYSA-N 312.402 2.776 0 40 DFAB O=C(Nc1cccc(CN2CCOCC2)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 100793744 MHSDEFDRAKWDHS-QILLFSRXSA-N 312.413 2.670 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc2c(c1)NC(=O)CO2 31736448 LFVLEOIUAGKHEU-VXGBXAGGSA-N 300.358 2.551 0 40 DFAB Cc1c(C(=O)N2CCOC[C@H]2C)cnn1-c1ccc(Cl)cc1 40509693 HSFCIDWHTLVSDM-LLVKDONJSA-N 319.792 2.695 0 40 DFAB CCOC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 581868 SSZIUERLFYYKGZ-UHFFFAOYSA-N 306.309 2.639 0 40 DFAB CSc1nc(CN2CCCc3cc(C)ccc32)cc(=O)[nH]1 32751393 RJUJPHRDGFUDLT-UHFFFAOYSA-N 301.415 2.753 0 40 DFAB COc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1 7816016 KUPRYTVWFBZMHA-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB CC(C)Oc1cccc(/C=C(/NC(=O)c2ccccc2)C(N)=O)c1 492334 YSJWPWUTWNMRGC-SFQUDFHCSA-N 324.380 2.730 0 40 DFAB COc1ccc(OC)c(CN(CCO)Cc2ccccc2)c1 12285184 KTCBWIXWYDFZOD-UHFFFAOYSA-N 301.386 2.698 0 40 DFAB CC/C=C(\C)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 103643553 HXYGXDVILUDKGV-KNDGBBJPSA-N 316.445 2.880 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@H]1C[C@@H]1c1ccc(F)cc1 53525688 FBWZWWREAIIUTF-OLZOCXBDSA-N 323.331 2.748 0 40 DFAB CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccccc2)o1 76062393 ACCZFSBHSOYUDC-CQSZACIVSA-N 309.387 2.508 0 40 DFAB O=C(NC[C@H]1CCC[C@H]1O)C1(c2cccc(F)c2)CCCC1 76060540 LBLRVZBLRFHFII-CZUORRHYSA-N 305.393 2.915 0 40 DFAB CC(C)N1CNC2=NC3(CCCC3)n3c(nc4ccccc43)N2C1 20676387 SYJCVATZYZQRSN-UHFFFAOYSA-N 324.432 2.668 0 40 DFAB O=c1c2c3n(c(=S)nc2[nH]n1-c1ccccc1)CCCCC3 12485387 QUUZUIMRZFXPLL-UHFFFAOYSA-N 312.398 2.971 0 40 DFAB Cc1nnc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)s1 28228114 UJPAIEVRQMUEFY-UHFFFAOYSA-N 323.765 2.590 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCCc2ccccc21 23693603 GKOALZZWXWTCMJ-CQSZACIVSA-N 312.417 2.817 0 40 DFAB Cc1ccccc1C(=O)Nc1cccc(OCCn2cncn2)c1 43246307 NVOTXSKDSXLWLV-UHFFFAOYSA-N 322.368 2.918 0 40 DFAB C[C@H]1CCC[C@H](C)N1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798805 DFHNUGVBUBEOKJ-ZIBATOQPSA-N 322.355 2.860 0 40 DFAB C[C@H](NC(=O)NCc1ccoc1)c1ccc2c(c1)OCCO2 43482610 OGJUVDHNVFJYJT-NSHDSACASA-N 302.330 2.611 0 40 DFAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC=CCC1 55623968 IHAXPVYWTVONAO-SFHVURJKSA-N 322.408 2.869 0 40 DFAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946359 DMOXIPOLSGJKJD-YQQAZPJKSA-N 307.365 2.731 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)n1 55999452 YDAVCRHGCQMBEK-KRWDZBQOSA-N 315.392 2.873 0 40 DFAB O=C(NC[C@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 43602770 PSZXOGHMPJQLND-LLVKDONJSA-N 310.423 2.886 0 40 DFAB O=C(NCCO)Nc1cccc(OCc2cccc(F)c2)c1 56780199 XZPBLIFBXOQSNZ-UHFFFAOYSA-N 304.321 2.519 0 40 DFAB CCCc1nc(C)c(C(=O)NCCCCn2ccnc2)s1 56986373 NZOAJIGOFVNGIK-UHFFFAOYSA-N 306.435 2.811 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 48020408 FEVGFTCZXJPREL-UHFFFAOYSA-N 313.357 2.970 0 40 DFAB CSCc1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1 10021121 PIFHIVDEMUPTFH-UHFFFAOYSA-N 320.370 2.642 0 40 DFAB COc1ccc(CNC(=O)COC(=O)c2sccc2C)cc1 3384372 LKZXEOSQYUSMHF-UHFFFAOYSA-N 319.382 2.538 0 40 DFAB CCOc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1 58280376 TWYBYYOCJZUWNM-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB CN1CCC[C@H]1CNC(=O)Nc1ccccc1C(F)(F)F 58217414 SIBZUCNIZVHYHT-JTQLQIEISA-N 301.312 2.921 0 40 DFAB Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)Nc2cc(C)on2)c1 58357746 GNXNJKJSFIYESX-DMZKTXOQSA-N 320.414 2.876 0 40 DFAB CN(C(=O)CC(C)(C)C)C1CCN(CCc2ccncc2)CC1 58357362 LRXLOGYBBWJEBX-UHFFFAOYSA-N 317.477 2.983 0 40 DFAB CCCc1noc(CCC(=O)N2CCc3sccc3C2)n1 48252487 LZCYSDZNAIQLAC-UHFFFAOYSA-N 305.403 2.601 0 40 DFAB NCc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 63191141 UQBDZFKFIZAPAW-UHFFFAOYSA-N 302.808 2.661 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2cccs2)C[C@@H](C)O1 25407600 XBCAMKLDYUTVJM-OKILXGFUSA-N 324.490 2.685 0 40 DFAB CCOCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 69390158 ZEVDKSVDYOFMAD-QZTJIDSGSA-N 316.445 2.679 0 40 DFAB CCOc1ccccc1NC(=O)[C@H](NC(C)=O)C1CCCC1 9113693 AVEGENWPDJCSDP-MRXNPFEDSA-N 304.390 2.719 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCn1cnc2sccc2c1=O 14302469 SMLUELYNIWOWPB-AAEUAGOBSA-N 319.430 2.543 0 40 DFAB Cc1ccc(-n2cnnc2SCC(=O)N2CCCC2)c(C)c1 8780409 BAVWGCGXSOTTKF-UHFFFAOYSA-N 316.430 2.599 0 40 DFAB c1ccc2c(c1)ncn1nc(-c3cc(-c4ccncc4)n[nH]3)nc21 4626035 NVKKMPUIIVDQPH-UHFFFAOYSA-N 313.324 2.730 0 40 DFAB c1ccc(-c2cc(CN3CCC[C@@H](Cn4cncn4)C3)on2)cc1 69624190 VWLYGGOOMULANQ-OAHLLOKOSA-N 323.400 2.845 0 40 DFAB CCC(=O)N1CCCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 80226299 RIUFXMPIHQUQQG-UHFFFAOYSA-N 318.465 2.741 0 40 DFAB Cc1ccc2nc(CSc3nnc(C4CC4)o3)cc(=O)n2c1 7288924 BZFZNSGZTRXTRP-UHFFFAOYSA-N 314.370 2.556 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2cccc(C)c2N)c1C 7305228 LBUYNAXGSOIUPY-UHFFFAOYSA-N 312.369 2.990 0 40 DFAB C[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 15744438 PJXMQBGNSYRBFG-CYBMUJFWSA-N 317.410 2.624 0 40 DFAB COC(=O)[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(C)C 9314316 OXXAATRMGPHTKO-XVJNWHFHSA-N 318.398 2.623 0 40 DFAB COC(=O)[C@@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 9315476 YFBLQCVFNITHMB-HNNXBMFYSA-N 310.309 2.634 0 40 DFAB COC(=O)[C@]1(F)CCN(Cc2ccc(OC(F)F)c(F)c2)C1 93887290 MPPDJYFEPXDFRO-AWEZNQCLSA-N 321.270 2.514 0 40 DFAB Nc1nccnc1C(=O)Nc1ccccc1CCC(F)(F)F 96462311 PAAHATVLFCWEDK-UHFFFAOYSA-N 310.279 2.806 0 40 DFAB Fc1ccccc1CN(Cc1nnnn1-c1ccccc1)C1CC1 96437997 MQBBLKOTOLKBFV-UHFFFAOYSA-N 323.375 2.966 0 40 DFAB COc1ccc(CCN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc1 71880503 RQYGTPLZNZWSMD-MOPGFXCFSA-N 316.445 2.713 0 40 DFAB Cc1ccc([C@@H](CNCc2ccccn2)N2CCOCC2)s1 72254128 XSNMJRKGSHESJY-MRXNPFEDSA-N 317.458 2.615 0 40 DFAB CN(C)C1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 72012848 ODSDDAUZEVEEHG-RYUDHWBXSA-N 306.372 2.908 0 40 DFAB Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2)c1 72290230 VKGYYEBICDUTBL-QGZVFWFLSA-N 308.381 2.557 0 40 DFAB C[C@@H](NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1)C1CC1 96875892 ZGCAWPFUUWCRMP-TVNQGELYSA-N 316.382 2.539 0 40 DFAB CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CC2(C)C)c1 97110911 QESDHRJKOOUTJC-MRVPVSSYSA-N 313.195 2.615 0 40 DFAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCc2[nH]ncc2C1 79455629 UEOOQWVJLLEVDC-NOLJZWGESA-N 305.422 2.668 0 40 DFAB O=C(NCCCn1ccnn1)Nc1ccccc1-c1ccncc1 97372454 MKTNBRRHSDDLBI-UHFFFAOYSA-N 322.372 2.552 0 40 DFAB O=C(Nc1ccncc1O)c1cccc(OC[C@H]2CCCO2)c1 95406670 UAYKZVGTMTZADA-CQSZACIVSA-N 314.341 2.597 0 40 DFAB C[C@@H](C[C@@H](O)c1cccs1)NC(=O)CC1(O)CCCCC1 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CGIGQSUZMYEPDD-JLCFBVMHSA-N 320.458 2.922 0 40 DFAB Cc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)o1 245338632 NKERRHJUUAWQOE-CFVMTHIKSA-N 305.374 2.765 0 40 DFAB CCNC(=O)COc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 245358621 ZUSHCDJAAVVBOT-ZIAGYGMSSA-N 322.474 2.527 0 40 DFAB Cc1nnc(CN[C@@H]2CCOc3c(Br)cccc32)o1 252508884 XWXFQCCXWWECHP-LLVKDONJSA-N 324.178 2.754 0 40 DFAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1cccnc1 85471186 OOEKGVYUINPZMR-UHFFFAOYSA-N 312.398 2.516 0 40 DFAB CO[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Cc1ccccc1 585278763 FZFKOABRAQFJPG-MOPGFXCFSA-N 324.424 2.730 0 40 DFAB Cc1cc(NCc2cccc(Cn3ccnc3C)c2)nc(N)n1 51856376 NXCGPAIAPWXTHU-UHFFFAOYSA-N 308.389 2.533 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)[C@H](c1ccccc1)n1cccn1 58332777 RGLHPPXFLDTRFI-SFHVURJKSA-N 321.380 2.837 0 40 DFAB COc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1C 57657269 NQMSHBWBLNQKOY-KRWDZBQOSA-N 312.413 2.532 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cn1 69668621 HOSXDSZFLYOGOP-HNNXBMFYSA-N 309.373 2.807 0 40 DFAB CC(C)Cc1noc(CN2C[C@H](C)C(=O)Nc3ccccc32)n1 72488280 VLGQCPLNBNWAMQ-LBPRGKRZSA-N 314.389 2.863 0 40 DFAB O=C(COc1cccc(-n2ccnc2)c1)NC(C1CC1)C1CC1 72674214 YTQYDWAHFVWFOZ-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB Cc1cc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c(C)o1 71819474 CYQPAGDRDDDAEY-AWEZNQCLSA-N 313.401 2.810 0 40 DFAB CO[C@H]1CCCN(C(=O)[C@@H](C)n2ccnc2-c2ccccc2)C1 95981260 SNAGDJXVBAZBKU-ZBFHGGJFSA-N 313.401 2.749 0 40 DFAB c1ccc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)cc1 641304836 HEXIFMYOSJGPKE-IYBDPMFKSA-N 306.413 2.927 0 40 DFAB COCCNC(=S)Nc1ccc(Br)cc1C 6336129 RHCDGWCMOJUILN-UHFFFAOYSA-N 303.225 2.690 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccco1 6012375 YRVUYMPRNKRDFL-PDIRELQUSA-N 305.374 2.919 0 40 DFAB CCc1nn2c(=O)cc(COc3cccc(C)c3)nc2s1 13367660 RSEQDDHULUIGMM-UHFFFAOYSA-N 301.371 2.601 0 40 DFAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(-n2ccnc2)cc1 15554505 QXLADFXXWAKEBA-QGZVFWFLSA-N 304.353 2.751 0 40 DFAB CC(C)CNC(=O)c1cccc(I)c1 5497920 YVVXHVHSCDRWMK-UHFFFAOYSA-N 303.143 2.677 0 40 DFAB CCC(C)(C)C(=O)N1CC[C@H](CNc2ncncc2Cl)C1 1060967358 LFWIBUCFJJDDQJ-LLVKDONJSA-N 310.829 2.827 0 40 DFAB CC(=O)Nc1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 24798348 RYPLVDZBXXZAJC-SECBINFHSA-N 307.341 2.876 0 40 DFAB Cc1ccccc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 8988033 MBEHZHNGEFHTEZ-QGZVFWFLSA-N 322.408 2.774 0 40 DFAB Cc1cc(O[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)nc(C)n1 585147507 YHVKUBWITRVHNJ-KBOKABMXSA-N 323.396 2.787 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)c1cc2ccccc2o1 75155653 XRXXOBPBFTYSEI-LJQANCHMSA-N 307.349 2.997 0 40 DFAB Cc1ccc2nc(Cn3nc(-c4ccc(F)cc4)oc3=O)cn2c1 10423193 MBJFFQSDBUGMFL-UHFFFAOYSA-N 324.315 2.647 0 40 DFAB COC(=O)c1cccnc1Sc1ccc(NC(C)=O)cc1 40489860 ZRIRCZAHIJAGEK-UHFFFAOYSA-N 302.355 2.978 0 40 DFAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(S(C)(=O)=O)cc1 31497379 LWYIOXFOQCESEE-LLVKDONJSA-N 323.439 2.572 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccccc1SCC(N)=O 31492541 PZJPUUIVMXGYNH-UHFFFAOYSA-N 320.439 2.598 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)oc2c(Cl)cccc12 40521194 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0 40 DFAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(F)c1 4850516 AICBJPJTTWMCPU-UHFFFAOYSA-N 310.328 2.913 0 40 DFAB COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2)cc1 6202071 LNUOJQCKRPXWLY-LLVKDONJSA-N 316.332 2.650 0 40 DFAB O=C1CSC(NC(=O)Nc2ccc(Cl)c(Cl)c2)=N1 6511448 QAWCIGXZUPLODG-UHFFFAOYSA-N 304.158 2.744 0 40 DFAB O=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2 32985330 YIJZFHFGGZDIKZ-UHFFFAOYSA-N 323.348 2.895 0 40 DFAB CCCCN(CC(N)=O)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 32926366 KRFPVFBFKGBAGQ-AGMJWKPSSA-N 304.390 2.530 0 40 DFAB COCCN(C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 42250889 NCSFERQSZFCKGB-AWEZNQCLSA-N 303.324 2.850 0 40 DFAB COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 851833 OBFXQWQLEOUXLO-RYUDHWBXSA-N 307.390 2.831 0 40 DFAB COCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C 23054828 KWJXSNAAMWCPEQ-UHFFFAOYSA-N 324.377 2.546 0 40 DFAB C[C@H](NC(=O)c1nn2cccnc2c1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101607816 QJKFDLJBQLZEKD-QCNOEVLYSA-N 318.808 2.937 0 40 DFAB Cc1noc(C2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1 54677990 GZRHKVYLVCUEOE-JTQLQIEISA-N 305.382 2.825 0 40 DFAB Cn1ncc2c(N3CCC[C@H]3Cc3ccc(F)cc3)ncnc21 54837302 OFZRKIGKZJNVLS-AWEZNQCLSA-N 311.364 2.714 0 40 DFAB Cc1cc(SCC(=O)N2CCc3sccc3C2)nc(C)n1 24567421 LOEVWXUWYRUOGM-UHFFFAOYSA-N 319.455 2.832 0 40 DFAB COc1cc(CNc2ncnc3[nH]ncc23)ccc1OC(F)F 12574094 OJMJJRDDPHAYSE-UHFFFAOYSA-N 321.287 2.575 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccccc2-n2ccnc2)c1 55695993 JOIXQQCECVAKDB-UHFFFAOYSA-N 307.353 2.816 0 40 DFAB COc1ccc(C)cc1C[S@@](=O)[C@H](C)C(=O)NC1CCCC1 78556087 HHXMJVBBYHQSBG-DMZKTXOQSA-N 323.458 2.700 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCOc2ccccc21 25369057 UWXVWYGGOIKQKT-HNNXBMFYSA-N 321.373 2.769 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@H]2CC=CCC2)N(C)C)cc1 25714873 RKAMGOASLQKUKJ-RDJZCZTQSA-N 302.418 2.770 0 40 DFAB C[C@H](Cn1cccn1)NCc1cc(Br)cs1 35272315 SXIYXOCAFKCIJD-SECBINFHSA-N 300.225 2.885 0 40 DFAB Cc1cc2c(cc1CC(=O)c1ccc(O)c(C)c1O)OCCO2 57291901 ZLPULHKUCYOKNM-UHFFFAOYSA-N 314.337 2.911 0 40 DFAB CC1=C(C(=O)O)[C@@H](c2ccc(Cl)cc2)n2nc(C)nc2N1 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C[C@H](NC(=O)c1ccoc1)C(=O)NCC[C@@H](C)c1ccccc1 58331908 ABNMQPASWZUIMP-KGLIPLIRSA-N 314.385 2.708 0 40 DFAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cn1 36394850 OPANCSLBNWIAHL-RMKNXTFCSA-N 309.369 2.570 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12761826 DWRGJHIHQJTBKG-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB CCCCc1noc(Cn2nc(-c3ccccc3)ccc2=O)n1 48365367 LBYZSQZFJLKMKU-UHFFFAOYSA-N 310.357 2.684 0 40 DFAB Cc1cccc(OCC(=O)NC[C@H](C)Cn2nc(C)cc2C)c1 48354698 XLFOTXNHRXMERE-AWEZNQCLSA-N 315.417 2.640 0 40 DFAB CCCCn1c(SCc2cc(-c3ccco3)on2)n[nH]c1=O 12860474 MNZYENWTWDPVBC-UHFFFAOYSA-N 320.374 2.912 0 40 DFAB O=P(O)(O)[C@H](NCc1ccc(F)cc1)c1ccsc1 12997457 LWBHGUAQXRQCCN-LBPRGKRZSA-N 301.279 2.853 0 40 DFAB COc1ccccc1C(=O)NCC(=O)Nc1ccccc1Cl 8150661 INJAKZACYNTJSQ-UHFFFAOYSA-N 318.760 2.717 0 40 DFAB CCn1ccnc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 69871185 DNTFFIVNYIFABI-AWEZNQCLSA-N 312.417 2.881 0 40 DFAB CC(=O)N[C@@H]1CCCN(Cc2cc(Br)cs2)C1 70007384 UGONZNSWWHNHDM-LLVKDONJSA-N 317.252 2.611 0 40 DFAB O=C(COc1cccc2cccnc12)Nc1ccc2c(c1)OCO2 6127948 FKYSCPIDPHZHDC-UHFFFAOYSA-N 322.320 2.981 0 40 DFAB Cc1ccc(S(=O)(=O)CCCOc2ccc(C)nc2)cc1 91596505 VCBBXBSTLVOOHS-UHFFFAOYSA-N 305.399 2.941 0 40 DFAB CC(C)c1n[nH]c(SCC(=O)N2CCc3sccc3C2)n1 14168800 AHNWBCJCGQATEF-UHFFFAOYSA-N 322.459 2.667 0 40 DFAB COc1ccc2nc(S[C@@H](C)C(=O)NC(C)(C)C)[nH]c2c1 7096373 QRNQCEAHPIESCQ-VIFPVBQESA-N 307.419 2.967 0 40 DFAB Cc1ccsc1C(=O)N1CCn2c(-c3cccnc3)cnc2C1 306124057 BEIJSRGCUVRIBE-UHFFFAOYSA-N 324.409 2.971 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@@H](C)O1 8848190 ZVACUQBNAMWIGF-RKDXNWHRSA-N 316.170 2.838 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 9366880 ADDRXXSPUFWFKG-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CCCCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 9342000 DAFDWHANCZOISC-CQSZACIVSA-N 318.417 2.663 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)Nc1onc2c1CCCC2 9306375 FDDAJLDJKJHEOT-NSHDSACASA-N 316.357 2.968 0 40 DFAB COc1cc(C(=O)NCCCCc2nc(C)cs2)ccc1O 84268248 WEIGGKVWLGNPRK-UHFFFAOYSA-N 320.414 2.918 0 40 DFAB 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FXFMFZDITREDSA-JTQLQIEISA-N 308.790 2.875 0 40 DFAB CO[C@@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 74569788 CICOAMMFQNRVHI-OAHLLOKOSA-N 315.373 2.662 0 40 DFAB O[C@@H](CNc1nn2cc(-c3ccc(F)cc3)nc2s1)C1CC1 75049437 HUJBDZCCRRRABW-ZDUSSCGKSA-N 318.377 2.780 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)N(C)c1ccccc1 89522740 JOYNIJVDYCMFNZ-MRXNPFEDSA-N 312.417 2.826 0 40 DFAB Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)no1 89600938 XLSLEVJVTZNSRE-UHFFFAOYSA-N 314.385 2.931 0 40 DFAB CCOc1ccc(CCC(=O)Nc2nnc(COC)s2)cc1 28250332 OJIIWCZIKCDXSF-UHFFFAOYSA-N 321.402 2.655 0 40 DFAB COCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C 22237634 HHPSDPYRWWIVBD-UHFFFAOYSA-N 319.430 2.986 0 40 DFAB COCCOCCNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 69104243 ZQNMNPKSQWNILO-INIZCTEOSA-N 320.433 2.761 0 40 DFAB COCC(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 27931724 GMKYUVKNWUAMAG-UHFFFAOYSA-N 314.172 2.823 0 40 DFAB CCC(=O)NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl 20151241 LKXDVNOXKUATEN-UHFFFAOYSA-N 321.185 2.915 0 40 DFAB COc1cccc2c1OCC(=O)N(c1cc(F)cc(F)c1)C2 65184479 ZGZXDHJIPWAQRQ-UHFFFAOYSA-N 305.280 2.899 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 408728637 QLCGJJWSYYRAKQ-CRJCFHLZSA-N 303.745 2.563 0 40 DFAB O=C(CC1(Cn2cccc2)CCCCC1)NCCn1cccn1 524733333 INLKFPRQHBRIGJ-UHFFFAOYSA-N 314.433 2.842 0 40 DFAB CCN(C(=O)CCCn1cncn1)[C@H](C)c1ccc(F)cc1 79043971 LLKPQGAWZGUVRZ-CYBMUJFWSA-N 304.369 2.807 0 40 DFAB Brc1csc(-c2noc([C@H]3COCCO3)n2)c1 78774488 COYROOSWMAHEIM-SSDOTTSWSA-N 317.164 2.649 0 40 DFAB O=C(NCCOCC(F)F)Nc1ccc2c(c1)C(=O)CCC2 189713410 ZNJRSQJXXUQUBV-UHFFFAOYSA-N 312.316 2.609 0 40 DFAB COC(=O)c1conc1[C@H](O)c1ccc(C(F)(F)F)cc1 504665920 DMUHOBKOHQAMNP-LLVKDONJSA-N 301.220 2.562 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCc3sccc3C2)n1 30685256 RJRLTGFFAVSZMG-UHFFFAOYSA-N 305.403 2.772 0 40 DFAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1oc(C)nc1C)c1ccccc1 79637706 LWMVSLKAKZWNPF-IINYFYTJSA-N 316.357 2.572 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@@H]3C)s2)o1 31369957 XTLRQUQTKGPOKD-VIFPVBQESA-N 306.387 2.881 0 40 DFAB CC(=O)Nc1cc(C(=O)Nc2cn(C)nc2C2CC2)ccc1C 567007384 WZUAZAYWSUXNFA-UHFFFAOYSA-N 312.373 2.817 0 40 DFAB C[C@H]1CN(C(=O)Cc2cc3ccccc3nc2O)CCC1(F)F 567530071 YGDIXUGFCQYYJZ-NSHDSACASA-N 320.339 2.987 0 40 DFAB COc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 44904792 QOAFNUSMBGLULX-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB biogenic CCn1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cn1 85481713 FVYKISGZCYNIBK-MRXNPFEDSA-N 311.385 2.781 0 40 DFAB C[C@@H]1CN(C(=O)CCn2ncc3c(Cl)cccc32)C[C@@H](C)O1 40759479 UQHKFSZUYAGULD-VXGBXAGGSA-N 321.808 2.716 0 40 DFAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)cc2)c1 44904236 WWZGEZUSNAQJAB-UHFFFAOYSA-N 321.398 2.572 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCC[C@@H](C)C2)cc1 46959351 YSLKZIJNYDLMAC-MRXNPFEDSA-N 318.461 2.866 0 40 DFAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225602468 JSQNQITUZNUVGD-QGZVFWFLSA-N 308.422 2.771 0 40 DFAB O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCC[C@@H]1c1cc[nH]n1 329088658 IABWLKZPXDQWLR-ZSZQSSIHSA-N 323.396 2.814 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O 205782623 XWRZDKJSLOJBEJ-PPRDQHCASA-N 321.354 2.824 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NC[C@H]2CCCO2)c(C)c1 225319075 INDAXDLWDWXHQJ-CYBMUJFWSA-N 322.430 2.637 0 40 DFAB COc1ccc(-c2nnsc2C(=O)OC[C@@H]2CCCO2)cc1 223839236 KKDINWQBWFXCSC-LBPRGKRZSA-N 320.370 2.550 0 40 DFAB CCc1nc(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cs1 331607258 VWWNGKVBRGVZIS-CABCVRRESA-N 316.426 2.583 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc(N(C)C)n1 96101155 YVPQGYDUERJNFV-BETUJISGSA-N 304.438 2.784 0 40 DFAB COc1c(C)cnc(Cn2c(C(F)(F)F)csc2=O)c1C 96450958 JSPSIPRGYHIMBH-UHFFFAOYSA-N 318.320 2.997 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCS1 96493240 YQJQJQBNPVMKAP-HNNXBMFYSA-N 322.474 2.865 0 40 DFAB Cc1ncsc1C(=O)OC1CCN(CC(F)(F)F)CC1 96446485 QFBQQRAHYQWRKQ-UHFFFAOYSA-N 308.325 2.635 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1ccccc12 91303113 KGAYKTNBVAUFJZ-UHFFFAOYSA-N 302.374 2.656 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)s1 96184879 PCQYONFLEBAUEU-OLZOCXBDSA-N 306.460 2.761 0 40 DFAB CCN(C(=O)CNc1cc(Cl)ccc1NC(C)=O)C1CC1 96427473 OCACCMJUEIEEAH-UHFFFAOYSA-N 309.797 2.721 0 40 DFAB C[C@](NC(=O)C[C@@H]1C=CCC1)(C(N)=O)c1cccc(Cl)c1 96454809 JMCVBDSSHFNCJB-BDJLRTHQSA-N 306.793 2.513 0 40 DFAB CO[C@@]1(CNC(=O)c2ccc3ncsc3c2)CCSC1 96120683 RWTPUJJOFXVIRX-CQSZACIVSA-N 308.428 2.548 0 40 DFAB COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cc(C)nn1C 96433774 ALHDPPARDSEXNC-ZDUSSCGKSA-N 316.405 2.832 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](O)C(C)C)ccc1N1CCCC1 96420104 UEVIRCJZRQFCMK-MRXNPFEDSA-N 305.422 2.734 0 40 DFAB Fc1ccc(C2(NCCOC[C@H]3CCCO3)CCOCC2)cc1 96421119 IEKTVBAVBXSRRV-QGZVFWFLSA-N 323.408 2.617 0 40 DFAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN(C2CC2)CC1 96402524 XPBDMDVPPJETNG-HZPDHXFCSA-N 304.821 2.750 0 40 DFAB CCOC(=O)[C@@H]1C(=O)OC[C@@H]1c1ccc(Cl)c(Cl)c1 242495345 GCBGUKRFOZBHTH-LDYMZIIASA-N 303.141 2.813 0 40 DFAB CNC(=O)c1cnc([C@@H]2CCCCN2c2ccccn2)s1 257337133 YRNNSDLXEBBHCA-NSHDSACASA-N 302.403 2.629 0 40 DFAB CC(=O)NCc1cccc([C@@H]2CCCN2CCC(F)(F)F)n1 257323729 WLPWMGREHTUYLU-AWEZNQCLSA-N 315.339 2.807 0 40 DFAB Cc1cccc2cc(CN[C@@H](CO)Cc3ccccc3)c(O)nc12 585292344 HWBIZOIFGVTQHS-GOSISDBHSA-N 322.408 2.942 0 40 DFAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2CC2)CC1 58369751 HRDLZWZUSAUZSW-CYBMUJFWSA-N 319.424 2.555 0 40 DFAB O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1 62130547 DXSDBFCDBXMYQZ-UHFFFAOYSA-N 307.463 2.798 0 40 DFAB CC[C@H](COC)NC(=O)c1cc(Br)cnc1Cl 71910944 ZCJDDMGGFZIEFW-MRVPVSSYSA-N 321.602 2.652 0 40 DFAB c1ccc(CN2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 952874632 SDDZCZRHSNBKJO-UHFFFAOYSA-N 319.412 2.794 0 40 DFAB COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 12650147 PPGQXIUFJSJUMP-CYBMUJFWSA-N 323.389 2.552 0 40 DFAB CCCCc1c(O)nc(-c2ccc(OC)cc2OC)oc1=O 16639521 FFOGRZAOCGVHIC-UHFFFAOYSA-N 305.330 2.767 0 40 DFAB N[C@@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 17377266 CIIAXGODDHHBDG-INIZCTEOSA-N 310.353 2.701 0 40 DFAB Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C)n1 18154634 HOBVDUXFQRHGBG-NSHDSACASA-N 303.387 2.506 0 40 DFAB COc1cccc(C[S@@](=O)Cc2cc(C)ccc2OC)n1 163667273 DZWNJKRXWKCUAT-OAQYLSRUSA-N 305.399 2.856 0 40 DFAB CCOc1ccc(Cc2nnc(NC3CCCC3)[nH]c2=O)cc1 5154501 NWICRVIJXOGDFC-UHFFFAOYSA-N 314.389 2.509 0 40 DFAB COc1cnc(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)nc1 1203922757 ZUOVUMGHWBPHFD-CQSZACIVSA-N 319.792 2.792 0 40 DFAB CCc1cnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)nc1 1888843852 KOTVRYOMJYDIJN-UHFFFAOYSA-N 324.306 2.720 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2nnc(C3CC3)s2)C1 1889085934 WTTFVWMLSYWRMA-LBPRGKRZSA-N 302.403 2.777 0 40 DFAB CC(C)c1noc(CN2CCC(c3nnc(C4CC4)o3)CC2)n1 1849771012 DJMJICMAUIRPSQ-UHFFFAOYSA-N 317.393 2.833 0 40 DFAB Cc1nc(SCC(=O)N(C)C)c2c3c(sc2n1)CCC3 2701224 BZMNYJINWWXJLE-UHFFFAOYSA-N 307.444 2.669 0 40 DFAB Cn1cnc2c(NCC(c3ccco3)c3ccco3)ncnc21 1775970693 HYCGSADLWAWUFU-UHFFFAOYSA-N 309.329 2.793 0 40 DFAB O=C(NCc1cccs1)NCc1nccnc1-c1ccoc1 575619340 DKLMGGBQPFIODW-UHFFFAOYSA-N 314.370 2.798 0 40 DFAB C[C@H](C1CC1)N(CCC(=O)N1CCOCC1)Cc1ccccc1 40120231 NPWBLYLMNRJZKP-MRXNPFEDSA-N 316.445 2.536 0 40 DFAB O=C1COc2ccc(C(=O)CSCc3ccco3)cc2N1 40456890 XLUCWENNDHSFJZ-UHFFFAOYSA-N 303.339 2.727 0 40 DFAB O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 100793885 CAKIQDDNTQFNPM-OUJBWJOFSA-N 302.399 2.791 0 40 DFAB C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc2nsnc12 31656873 AWZSFUYBZFIPCQ-VIFPVBQESA-N 323.443 2.643 0 40 DFAB CC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 263720 UQOWMVCXKYGXPE-MRVPVSSYSA-N 323.190 2.819 0 40 DFAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccccc1 303764 GLKARFYLCXSYLW-UHFFFAOYSA-N 323.318 2.707 0 40 DFAB Cc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1 422533 XKFGSBTZUGKANR-UHFFFAOYSA-N 316.430 2.680 0 40 DFAB O=C(CCSc1ccccc1)NCc1nnc2ccccn12 32524004 CRKMVVLHOUMCJI-UHFFFAOYSA-N 312.398 2.528 0 40 DFAB O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1c[nH]c2ccccc12 1761189 GBZUGFINYPXQDD-GOSISDBHSA-N 306.321 2.581 0 40 DFAB CC(=O)CC(C)(C)NC(=O)CCN(C)Cc1sccc1C 32721090 FHYZQMYLKZWGIS-UHFFFAOYSA-N 310.463 2.752 0 40 DFAB CCCCNC(=O)COC(=O)c1ccc(Br)cc1 3317256 LGTHHDCCWSGJOM-UHFFFAOYSA-N 314.179 2.522 0 40 DFAB O=C(NCc1ccc(OCC(F)(F)F)cc1)NCC1CC1 32779734 SFJOQQFYCGRVKR-UHFFFAOYSA-N 302.296 2.837 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@H]1Cc2ccccc2O1 41177853 JIXBEPKNMPUBLG-CYBMUJFWSA-N 302.399 2.859 0 40 DFAB COc1ccc(NC(=O)CSc2ccccn2)c(OC)c1 4835286 GBJAONOMRUQCFT-UHFFFAOYSA-N 304.371 2.830 0 40 DFAB O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nn1 32815816 AEAMOBAKJPDBAY-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB CCSc1nnc(NC(=O)COc2ccccc2C)s1 2623614 ISSKXZWLMYUSNZ-UHFFFAOYSA-N 309.416 2.976 0 40 DFAB Cc1ccc(OCCNC(=O)COc2ccc(F)cc2)cc1 8237513 LSGSOOPPHQNUOL-UHFFFAOYSA-N 303.333 2.708 0 40 DFAB CCn1cc(Cl)c(C(=O)N[C@H](Cn2cccn2)C(C)(C)C)n1 2782443 UJQQTTIEUCEDMX-GFCCVEGCSA-N 323.828 2.598 0 40 DFAB C[C@@]12CC(=O)[C@@](C)(C1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 102998346 MDBKRUGEHSLJED-DLTLXFJOSA-N 317.772 2.835 0 40 DFAB C[C@@H](CNC(=O)Nc1ccccn1)N1CCc2sccc2C1 47010033 UBDOISVYPYKGMY-LBPRGKRZSA-N 316.430 2.711 0 40 DFAB CO[C@@H](CNC(=O)c1ccnc(C)n1)c1cccc(Cl)c1 76067345 IDTMMULHWVLMPK-AWEZNQCLSA-N 305.765 2.556 0 40 DFAB Cn1ccc(CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 81498948 RBXNBTDZYVADOQ-IAGOWNOFSA-N 313.401 2.602 0 40 DFAB c1cc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)cs1 106108255 QNHDBFZXKVYGRN-OLZOCXBDSA-N 305.403 2.942 0 40 DFAB CCOc1ccc2nc(S[C@H]3CCCCNC3=O)[nH]c2c1 12540489 WBYGPYRIHGBNGX-ZDUSSCGKSA-N 305.403 2.722 0 40 DFAB COC(=O)N(C)CC(=O)N1CC[C@H](C)Sc2ccccc21 47958730 NLDRXOHAVHMVDC-NSHDSACASA-N 308.403 2.602 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)cn1 55865214 PQUBTCKWCCKQOW-MRXNPFEDSA-N 301.365 2.856 0 40 DFAB CCOc1cccc(CNC(=O)COc2cccc(OC)c2)c1 53358882 CPILRDOQVWTGJT-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB CCn1c(CNC(=O)/C=C/c2nccs2)nc2ccccc21 56174814 AZTTVSNIAYMOQF-BQYQJAHWSA-N 312.398 2.842 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCCCCCC1)C2=O 56552747 CNXCDSWCAZVJSI-RHSMWYFYSA-N 307.438 2.711 0 40 DFAB CCc1noc([C@H](C)N2CCN(Cc3ccsc3)CC2)n1 44349908 XPQNQYIHEGZBKU-LBPRGKRZSA-N 306.435 2.572 0 40 DFAB C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NC1CCCC1 58014186 COOWSFGIWJHYMY-VIFPVBQESA-N 311.332 2.534 0 40 DFAB Cc1c([C@H](NC(=O)[C@@H](C)NC(N)=O)C(C)C)oc2ccccc12 69789243 LHNHHBBXMLZPGX-BXUZGUMPSA-N 317.389 2.611 0 40 DFAB O=c1onc(-c2ccccn2)n1Cc1ncc(-c2ccccc2)o1 58292765 GZDIRPLJNZWFQL-UHFFFAOYSA-N 320.308 2.602 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 3300998 FTXWMCVZCMDTAO-LBPRGKRZSA-N 303.383 2.929 0 40 DFAB CC1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 36171468 GDFUTBNKODNHPO-UHFFFAOYSA-N 314.429 2.797 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)Cc2ccco2)cn1 44955493 REMZSCRTRCRPAL-ZDUSSCGKSA-N 317.389 2.892 0 40 DFAB Cc1ccn2cc(CNC(=O)[C@H](C)OCCC(C)C)nc2c1 58355500 QIRBQFPFOVVSHY-AWEZNQCLSA-N 303.406 2.710 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3384249 OVFSBPLFFILQGA-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCO2 28078247 JTPWACOSVIXDEA-NSHDSACASA-N 321.402 2.698 0 40 DFAB Cc1cccc(Cn2cccc(C(=O)NCc3ccoc3)c2=O)c1 58412342 DKMSJQHDEAFUCK-UHFFFAOYSA-N 322.364 2.728 0 40 DFAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12910439 UMYFQQUAFXSTFS-HNNXBMFYSA-N 323.352 2.710 0 40 DFAB COC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)CCC(C)C)c1 8314225 MXAFLEFKPJUNLJ-GOEBONIOSA-N 323.433 2.627 0 40 DFAB COc1cccc(-c2cc(C(=O)O)c3c(C)n[nH]c3n2)c1OC 49551692 URJXMGVRDAYLNG-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB CC(C)c1ccc(C[S@](=O)Cc2nnnn2C2CC2)cc1 69810076 RHFDCXITGLTFJB-OAQYLSRUSA-N 304.419 2.580 0 40 DFAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCC1 5017465 HWQRSEDJEVBYLE-VIFPVBQESA-N 308.432 2.636 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 65503420 AIPHCEHYJACCIO-GJZGRUSLSA-N 320.481 2.736 0 40 DFAB O=C(NCCc1cccs1)N1CCC[C@@H](N2CCCC2)C1 65532702 FDXPSWOPKLLLDL-CQSZACIVSA-N 307.463 2.560 0 40 DFAB C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(OC(F)(F)F)cc1 69617208 VFRIEWDHUOKJAC-BXUZGUMPSA-N 318.339 2.566 0 40 DFAB c1ccc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)co2)cc1 69617520 GAWXETISRFZVRM-MRXNPFEDSA-N 309.373 2.598 0 40 DFAB CC(C)(CNC(=O)Nc1cccc(Cl)c1)N1CCOCC1 14140933 RRCMSOLAGGLCOP-UHFFFAOYSA-N 311.813 2.572 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)OC 5450766 WQBUFZOJUNBNKN-OFQRWUPVSA-N 320.433 2.895 0 40 DFAB Cc1ccccc1N1C[C@H](C(=O)N2CCc3ccccc32)CC1=O 4975541 WPCOEPJKYMRFDT-MRXNPFEDSA-N 320.392 2.937 0 40 DFAB CCOc1ccc(-c2cc(C(=O)NCc3ccco3)[nH]n2)cc1 6942443 SVXURMUMFAEDOF-UHFFFAOYSA-N 311.341 2.998 0 40 DFAB Cn1ccc2c(C(=O)N3CCC[C@H]3Cn3cccn3)cccc21 69928417 ZCOMSZNDINOYPX-AWEZNQCLSA-N 308.385 2.680 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C)sc2ncn(C)c(=O)c12 15426684 NSXUGOGVAXRWHW-MWLCHTKSSA-N 319.430 2.612 0 40 DFAB CCn1cnnc1S[C@H](C)C(=O)Nc1ccc(C)c(F)c1 7110608 OLKCNKOMCAHKLY-SNVBAGLBSA-N 308.382 2.865 0 40 DFAB C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)NC(C)(C)C 8980848 HWTDSDSNGDHSQY-JTQLQIEISA-N 313.781 2.565 0 40 DFAB CC(C)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9113395 BXCCTQGUZMMJFJ-UHFFFAOYSA-N 315.339 2.945 0 40 DFAB O=C(N[C@H]1COc2ccccc2C1=O)c1ccc(Cl)s1 97034054 FXCZLZUJUCPFMN-VIFPVBQESA-N 307.758 2.775 0 40 DFAB O=C(O)c1ccn(-c2cccc(NC(=O)[C@H]3C[C@H]3C3CC3)c2)n1 97035922 XYHUBWSYRNZDOE-KBPBESRZSA-N 311.341 2.555 0 40 DFAB CCn1c(C)nnc1COc1ccc(NC(=O)C(C)C)cc1 97047953 KSNDXYVCEIQWET-UHFFFAOYSA-N 302.378 2.780 0 40 DFAB O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)[C@@H]1COCCO1 72274871 JSWFBEKHLXJBGY-JKSUJKDBSA-N 323.364 2.801 0 40 DFAB C[C@H](NC(=O)CSc1ccc2c(c1)CCC2)c1cnn(C)c1 72295366 ZNQPIQVYTXCDNB-LBPRGKRZSA-N 315.442 2.878 0 40 DFAB COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 9364927 ABEAOVPLPCNMPX-JTQLQIEISA-N 312.325 2.667 0 40 DFAB O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCSCC1 97143244 XMETVGSRLYZFFK-HUUCEWRRSA-N 306.431 2.665 0 40 DFAB O=C(Nc1ccc2c(c1)COC2)N(CCO)C1CCCCC1 97113544 NECPWEBTAIDNSA-UHFFFAOYSA-N 304.390 2.876 0 40 DFAB CCCN(C(=O)Nc1ccccc1CN1CCNC1=O)C1CC1 97113892 PIHJTYQKHYVPGH-UHFFFAOYSA-N 316.405 2.618 0 40 DFAB Cc1cccc(NC2CCN(C(=O)[C@@H](C)n3cccn3)CC2)c1 96420973 HIQAGUXKMLZZKC-OAHLLOKOSA-N 312.417 2.856 0 40 DFAB COc1ccccc1[C@@H](C)CNC(=O)c1ccc2c(c1)nnn2C 96404083 HKKOJQLMLMXQIK-LBPRGKRZSA-N 324.384 2.510 0 40 DFAB c1ccc2c(N3CCN(Cc4ccncc4)CC3)ccnc2c1 71893857 QHHQCZXECJQKIM-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB COCCN(Cc1nc2c(F)cccc2[nH]1)CC(F)(F)F 71900597 DJYOEDCEQPCGMY-UHFFFAOYSA-N 305.275 2.713 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9613652 BZBMRIFKMBBGOO-DGCLKSJQSA-N 307.825 2.686 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(=O)[nH]1 72301264 UQYIKINPHOSTSC-KGLIPLIRSA-N 314.360 2.551 0 40 DFAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCCCc2ccccc21 84581934 UDOBDUCNFXOMNE-YSVLISHTSA-N 300.402 2.690 0 40 DFAB OCCOCCN1CCC[C@H]1c1ccccc1Br 88560339 XDICHMAGEQBMHI-AWEZNQCLSA-N 314.223 2.595 0 40 DFAB CCn1c(SCC[C@H]2CCCN2C)nnc1-c1cccnc1 95975947 FNDOPUGMOOVYKM-CQSZACIVSA-N 317.462 2.936 0 40 DFAB Cc1cccc(CC(=O)Nc2ccccc2CN2CCNC2=O)c1 95993550 CAWNBTBVZQVQQL-UHFFFAOYSA-N 323.396 2.701 0 40 DFAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(CN)nc1C 95982133 UMBNFYKHWJKXGJ-GOSISDBHSA-N 309.413 2.998 0 40 DFAB O=C(NCCc1nc[nH]n1)Nc1ccccc1-c1cccs1 89821261 CLVFEUOTCXRRHX-UHFFFAOYSA-N 313.386 2.897 0 40 DFAB O=C(OCCCn1cccn1)c1sccc1Br 78715148 YSMIKGHCGWHFSQ-UHFFFAOYSA-N 315.192 2.954 0 40 DFAB CCc1ccc(C(=O)NCc2ccc([S@@](C)=O)cc2)c(O)c1 188274544 IIQHBLLTWBDVSI-JOCHJYFZSA-N 317.410 2.622 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)/C=C/c1ccc(NC(C)=O)cc1 78985493 PJBFKZQWAQAARX-IRZHHCKBSA-N 303.358 2.769 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 79350576 UJWGRJYNFYLNIX-YJBOKZPZSA-N 319.449 2.529 0 40 DFAB O=C(CS(=O)(=O)c1cccc(Cl)c1)NC1CCCCC1 78978942 SLPLODCXRIXDOB-UHFFFAOYSA-N 315.822 2.563 0 40 DFAB Cc1noc([C@@H](OC(=O)c2cscn2)c2ccccc2)n1 79705797 LOSAUBSUJCWOBD-LBPRGKRZSA-N 301.327 2.781 0 40 DFAB C[C@@H]1CC2(CCNCC2)CN1C(=O)c1cc2ccccc2n1C 565149354 MKLSVTNWVLXWHM-CQSZACIVSA-N 311.429 2.783 0 40 DFAB COc1ccc(-c2nnsc2C(=O)N2CCCCC2)cc1 225762930 HSNKNLCHNQUENY-UHFFFAOYSA-N 303.387 2.840 0 40 DFAB CC(C)c1noc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 40714410 QCCLCPGIHSXDED-GFCCVEGCSA-N 300.362 2.608 0 40 DFAB CC(C)c1ncc(CN2CCN(Cc3cccnc3)CC2)s1 195561853 FOFIROQCSGQLTM-UHFFFAOYSA-N 316.474 2.979 0 40 DFAB COc1ccnc(CSCCOC[C@H]2CCCO2)c1OC 530387920 RNLATWGAKRFPTQ-GFCCVEGCSA-N 313.419 2.528 0 40 DFAB CC1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 41184142 OXORJVBMBLVSLY-UHFFFAOYSA-N 305.403 2.989 0 40 DFAB Cc1ccnc(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 225738110 BLCYNZAEDHICKM-CQSZACIVSA-N 306.479 2.798 0 40 DFAB N=C(N)SCc1nc(-c2cccc(C(F)(F)F)c2)no1 87464287 VLCCHHZUOBBULL-UHFFFAOYSA-N 302.281 2.882 0 40 DFAB O=C1[C@@H](Sc2nc3ccccc3o2)CCN1C1CCOCC1 96447667 YTXDGWQMHRHPTA-AWEZNQCLSA-N 318.398 2.700 0 40 DFAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)n2cncn2)o1 96433274 RXKBHKQZSLLYCY-NFAWXSAZSA-N 316.405 2.994 0 40 DFAB CN(CCC(=O)N1CCc2ccccc21)CCc1nccs1 96483883 LVOGJOXYDAOHTD-UHFFFAOYSA-N 315.442 2.597 0 40 DFAB C[C@@H](O)CN(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 96421167 WIHJLQUFZSZXSV-OAHLLOKOSA-N 322.408 2.911 0 40 DFAB CC(C)n1cc(S(=O)(=O)N(C)C[C@@H](C)c2ccccc2)cn1 96427895 XPAFXUYYMBLCLZ-CQSZACIVSA-N 321.446 2.888 0 40 DFAB COCCc1nnc(S[C@H]2CCCCc3ccccc32)n1N 96447826 ICFKVWJJBQHKMB-AWEZNQCLSA-N 318.446 2.741 0 40 DFAB c1cnc2c(c1)CN(CC1CCOCC1)CCN2CC1CC1 96060984 MQAROCCTSUGDCX-UHFFFAOYSA-N 301.434 2.540 0 40 DFAB CC1([C@H]2CCCN(C(=O)NCC(C3CC3)C3CC3)C2)OCCO1 96502528 HOYGSTIRANXMLQ-HNNXBMFYSA-N 322.449 2.607 0 40 DFAB COCCC1(CN2CCO[C@@H]([C@H]3CCCO3)C2)CCCCC1 249782694 LNORNDXWJQEAPR-IAGOWNOFSA-N 311.466 2.853 0 40 DFAB c1cc(C[C@@H]2COCCN(Cc3ncc[nH]3)C2)c2ccoc2c1 257307211 SXRCNXLWLICUPY-AWEZNQCLSA-N 311.385 2.847 0 40 DFAB Cc1nccc(N2CCC3(CC2)CO[C@H](Cc2ccccn2)C3)n1 257307936 TUTTUZVFZIKOFI-QGZVFWFLSA-N 324.428 2.798 0 40 DFAB CCCCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 252484661 GDRNUGMZLVMXCY-UHFFFAOYSA-N 318.826 2.908 0 40 DFAB Cc1nn(C)c2nc([C@H]3CCCN(Cc4cccn4C)C3)ccc12 257292368 QLEPMWRAYLYQNV-HNNXBMFYSA-N 323.444 2.995 0 40 DFAB CCCNc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 256048925 XCJJHXAACRIDCE-UHFFFAOYSA-N 314.267 2.806 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCN2CCc3ccccc32)n1 257266521 MDJKRVZGUUYMEH-KRWDZBQOSA-N 324.428 2.834 0 40 DFAB COC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(C3CCC3)cc2)C1 263147057 XBPZPOJDKZCWCA-GOSISDBHSA-N 317.385 2.517 0 40 DFAB O=C(c1ccccc1Br)N1CCSC1=S 30819563 QDQWWPBCABDRDI-UHFFFAOYSA-N 302.218 2.923 0 40 DFAB Cc1ccc(I)c(=O)n1-c1ccccc1 642882543 KDCGLLQXSPVPSH-UHFFFAOYSA-N 311.122 2.751 0 40 DFAB CC(C)OC(=O)CCNC(=O)N1CCC[C@@H]1c1ccccc1 45216056 PMAVLPSOWHUJGT-OAHLLOKOSA-N 304.390 2.875 0 40 DFAB CC(C)(C)C(=O)N[C@H](C(=O)O)c1cccc(C(F)(F)F)c1 98175006 VHKDUCAIIDIWAR-JTQLQIEISA-N 303.280 2.993 0 40 DFAB Cn1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cn1 89989788 CFHWCTFNVUSXRV-UHFFFAOYSA-N 311.389 2.857 0 40 DFAB O[C@@H](CNc1ncc(F)cn1)c1ccc(C(F)(F)F)cc1 808073431 FYAVKZAPDMHRQY-NSHDSACASA-N 301.243 2.780 0 40 DFAB O=C1C[C@@]2(CC(c3ccc(F)cc3)=NO2)C(=O)N1c1ccccc1 5303128 HFLDVAGIZYYQEA-SFHVURJKSA-N 324.311 2.652 0 40 DFAB CCc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303604 WBMDFADYBNNINV-UHFFFAOYSA-N 307.353 2.748 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)N[C@H]1CCCC[C@@H]1C 12950583 XIWFRAZLFQJSSD-ZFWWWQNUSA-N 318.417 2.510 0 40 DFAB c1ccc([C@H]2CN(Cc3cnc4ccccc4n3)CCO2)nc1 607853620 RWVVPPDZONGPTQ-GOSISDBHSA-N 306.369 2.598 0 40 DFAB Cc1ccc(N2C[C@H](CNC(=O)C3CCCC3)CC2=O)cc1 8985157 HCRKTLVKTUKRLX-AWEZNQCLSA-N 300.402 2.654 0 40 DFAB O=C(N[C@@H]1CCn2nccc2C1)C1(c2cccs2)CCCC1 253473187 SNHJEFNEGQYOSU-CYBMUJFWSA-N 315.442 2.888 0 40 DFAB O=C(N[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)C1CC1 1889111385 HSJSDLWVGGAVLT-LBPRGKRZSA-N 319.792 2.976 0 40 DFAB CC(C)(C)C1CCC(C(=O)Nc2nc(CC(N)=O)cs2)CC1 25877020 BWSBKAHASYNFTM-UHFFFAOYSA-N 323.462 2.962 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(Cc3cnoc3C)C2)ccn1 1776000539 PMTZMHHCEKSJJX-OAHLLOKOSA-N 301.390 2.977 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)Nc1cccs1 10608563 NBWQSUHNUDVZFJ-UHFFFAOYSA-N 306.395 2.562 0 40 DFAB CSc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1 21009863 PDBJGHMSFJPEPN-UHFFFAOYSA-N 312.394 2.936 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cn1 30009747 JVRCOYRBLGHWKA-LBPRGKRZSA-N 314.389 2.595 0 40 DFAB CNC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F 50086615 BBPOUXOEAIGPLZ-IINYFYTJSA-N 307.369 2.886 0 40 DFAB CCOC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 40161811 BZHDQLQXEYAAAH-UHFFFAOYSA-N 300.761 2.753 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1 20119833 YFOOAHJEPXDMRS-UHFFFAOYSA-N 316.788 2.858 0 40 DFAB CC1CCN(CCCNC(=O)NCCc2ccccc2)CC1 30992419 JNSYVMFAUACGOG-UHFFFAOYSA-N 303.450 2.650 0 40 DFAB C[C@H](O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405626 IQZCUUWEXNFWMM-POYBYMJQSA-N 323.702 2.691 0 40 DFAB Cn1ccc(CN2CCC(OCc3ccccc3)CC2)cc1=O 51181791 WLLIJMVHXCUYNU-UHFFFAOYSA-N 312.413 2.567 0 40 DFAB CNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 230545 LMYKBKQUNUJHJG-PTNGSMBKSA-N 314.772 2.857 0 40 DFAB Cc1cc(C(=O)NCCc2csc(C)n2)c2c(C)noc2n1 29551115 KAPKXZZEXXHYHO-UHFFFAOYSA-N 316.386 2.577 0 40 DFAB Cc1ccc(-n2ncc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)cc1 29505124 NKVFSSNRMRXNJX-ZIAGYGMSSA-N 313.401 2.739 0 40 DFAB Cc1noc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 46107719 GZUIGVHWCVSGDB-UHFFFAOYSA-N 321.185 2.800 0 40 DFAB CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 582107 JXBNKVSCQLZKGQ-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB O=C(Cc1cn2ccccc2n1)NCc1ccc(F)c(Cl)c1 60353453 PIESLKJHSFPCJJ-UHFFFAOYSA-N 317.751 2.986 0 40 DFAB O=C(O)c1ccn(-c2ccccc2NC(=O)C2[C@H]3CCC[C@H]23)n1 101975879 OVYFBBBEGJNMNI-QWRGUYRKSA-N 311.341 2.555 0 40 DFAB Cc1cc(S[C@H](C)C(=O)N2CCNC2=O)nc2ccccc12 32774530 QDTUSVIXWJDQCF-LLVKDONJSA-N 315.398 2.576 0 40 DFAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)n2ncnc2N1 6593644 BYBJFHNWFFXLMT-OAHLLOKOSA-N 312.373 2.910 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 7215438 NHMOUMLUWHHQMX-CQSZACIVSA-N 311.337 2.711 0 40 DFAB CCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 7262368 KUBNSQYFFPUROB-UHFFFAOYSA-N 322.449 2.878 0 40 DFAB Cc1nc2ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc2s1 32981804 JGXPZPNRSUVUGG-GFCCVEGCSA-N 320.418 2.626 0 40 DFAB Cc1cccnc1NC(=O)CSc1ccc2c(c1)OCCO2 21893435 NROMYGCYLPKDMB-UHFFFAOYSA-N 316.382 2.892 0 40 DFAB O=C(NC[C@@H]1CCOC1)c1csc(Cc2ccccc2)n1 41365779 WUTVNDYOSWJABL-ZDUSSCGKSA-N 302.399 2.500 0 40 DFAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccco3)o2)cc1 9062286 SQYMAWOENSWJQT-CMDGGOBGSA-N 311.297 2.990 0 40 DFAB Cn1cnnc1SC[C@H](O)COc1ccccc1C(C)(C)C 22429725 SBIIJXPQAHCRID-GFCCVEGCSA-N 321.446 2.645 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2O)CC1 104259429 UMSWYEORONFARM-JYJNAYRXSA-N 314.429 2.867 0 40 DFAB O=C(c1ccccc1SCc1cscn1)N1CCOCC1 24991651 WMJAQEPBWRXVNC-UHFFFAOYSA-N 320.439 2.908 0 40 DFAB Nc1nc(-c2ccccc2)nc(N)c1Cc1ccc2c(c1)OCO2 34093013 YCVGUHLTOFHXPK-UHFFFAOYSA-N 320.352 2.628 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24020436 ULDKLOQRWUQVRH-UHFFFAOYSA-N 324.336 2.563 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)c1 24032826 XTVPXSPSXUMFLC-CYBMUJFWSA-N 324.384 2.991 0 40 DFAB FC(F)(F)c1ccnc(NC[C@@H]2COc3ccccc3O2)n1 24053219 HYYBSMYNKAJWAQ-SECBINFHSA-N 311.263 2.747 0 40 DFAB CCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 1237614 APWAKRPGINDOAB-UHFFFAOYSA-N 323.352 2.764 0 40 DFAB CO[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20238676 CDXSPWSFUARVGQ-LJQANCHMSA-N 324.424 2.719 0 40 DFAB OCc1cc2ccccc2nc1NCCc1nccn1C(F)F 77962628 DEFDGIOOHMBXAF-UHFFFAOYSA-N 318.327 2.973 0 40 DFAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H]1c1ccncc1 43482418 LLIXCBHIRVPTRG-YOEHRIQHSA-N 310.353 2.585 0 40 DFAB Cc1cc(NC(=O)NCc2ccccc2OC(F)F)n(C)n1 43434152 VJEFZKZIOZVNTF-UHFFFAOYSA-N 310.304 2.652 0 40 DFAB Cc1ccc(C)c(OC2CCN(C(=O)c3csnn3)CC2)c1 56335600 GWBOMFBFOWKIRC-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB CCc1nnc(CN(C)Cc2ccc(Br)o2)o1 48052793 NYIYFHSNNREHDC-UHFFFAOYSA-N 300.156 2.620 0 40 DFAB Cc1cc(OC(=O)c2nc3nccc(C)n3n2)cc(C)c1Cl 44558525 QOVXMNMQPPGVBF-UHFFFAOYSA-N 316.748 2.922 0 40 DFAB COC(=O)c1cc2cc(C(=O)c3cc(C)ccc3O)cnc2o1 10024896 FAMMUSSYMWNMCJ-UHFFFAOYSA-N 311.293 2.859 0 40 DFAB CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 27662115 XQSDLYGIOXXGDR-OAHLLOKOSA-N 310.825 2.630 0 40 DFAB CCOc1ccc2c(c1)CN(c1cnnc(O)c1Cl)CC2 58297703 JBGQXTNINUDSSS-UHFFFAOYSA-N 305.765 2.797 0 40 DFAB C[C@@H](C(=O)NC1CCCC1)N(C)CCOc1ccccc1F 21672647 FOZPMXFKURCDTF-ZDUSSCGKSA-N 308.397 2.584 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(CN2CCOCC2)CC1 36103465 HJUMOPCAPJRKST-UHFFFAOYSA-N 322.836 2.524 0 40 DFAB CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC2)C1 20714248 MWTXCJFEZLOTMM-UHFFFAOYSA-N 300.362 2.583 0 40 DFAB Cc1c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cnn1C 58327290 HYZGFBZSAIYSNY-MWLCHTKSSA-N 323.343 2.651 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)N[C@H](C)CCc1ccccc1 27935728 SPAJFGGSVGORAH-CABCVRRESA-N 310.463 2.717 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1 28084314 RYRHBKCRVIVXEY-GDBMZVCRSA-N 308.447 2.800 0 40 DFAB CC(C)[C@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc(F)cc1 45151059 PKZVEMRLPUDIJJ-RISCZKNCSA-N 319.384 2.712 0 40 DFAB Fc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)cc1F 36357224 BUFVQFBQZRZNHK-UHFFFAOYSA-N 316.296 2.588 0 40 DFAB CN1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 12799935 DEZGLHWVTXSTSM-MRXNPFEDSA-N 324.380 2.544 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N3CCOc4ccccc43)ccc21 36763892 MBXSRZFOGJRJFJ-UHFFFAOYSA-N 322.364 2.635 0 40 DFAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCCO1 45811451 WQLXBYQEAZNSLD-GXSJLCMTSA-N 323.336 2.551 0 40 DFAB O=c1c2ccccc2nnn1Cc1ncc(-c2ccc(F)cc2)o1 8222352 XJLFWPMXJCOKBI-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 3451646 SKDZYWNTRLSXEI-UHFFFAOYSA-N 306.268 2.639 0 40 DFAB O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cnc[nH]2)C1 92073343 OJRFTCPUOOJOPM-KGLIPLIRSA-N 311.307 2.736 0 40 DFAB C[C@@]12CC(=O)C[C@H]1[C@@H]1C[C@H](O)[C@H]3CCCC[C@]3(C)[C@H]1C[C@@H]2O 118923428 LJDAXOXADPJFIM-DAFNKPLYSA-N 306.446 2.930 0 40 DFAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccco1 16971465 NIOPOROHCJDQPO-UHFFFAOYSA-N 303.333 2.897 0 40 DFAB Cc1noc(C)c1CC(=O)NCCOc1ccc(Cl)cc1 8394783 GJSQMUUMNGSRMX-UHFFFAOYSA-N 308.765 2.683 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(CCc3cccs3)C2)n1 69820245 USUDJSYKEIPDDO-HNNXBMFYSA-N 304.463 2.911 0 40 DFAB O=C(CSc1ncnc2[nH]ncc12)c1ccc(F)c(F)c1 4317673 DKDUTLLBBYLKGA-UHFFFAOYSA-N 306.297 2.606 0 40 DFAB COc1ccc2[nH]c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)c2c1 5267535 XKADSWIUSBUPSB-GHMZBOCLSA-N 302.374 2.734 0 40 DFAB O=C(NCCc1cccs1)NC[C@@H]1Cc2ccccc2O1 65401537 SZGZYKZKCZWWCV-ZDUSSCGKSA-N 302.399 2.594 0 40 DFAB CCCNC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12 4493527 QOPRGLWJTCXJRB-UHFFFAOYSA-N 303.358 2.662 0 40 DFAB COCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 65587686 WTBPATMDONFJCH-UHFFFAOYSA-N 311.288 2.604 0 40 DFAB CSCCc1ccc(NC(=O)NCCn2ccnc2)cc1 69685492 MXCDWWJKGLGBSI-UHFFFAOYSA-N 304.419 2.610 0 40 DFAB O=c1n(CCSCc2ccccc2F)nc2ccccn12 69596416 SHYWXOJAXQQPOD-UHFFFAOYSA-N 303.362 2.569 0 40 DFAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccccn1)CC2 6624121 JMCONKAHZWLEDW-LBPRGKRZSA-N 312.369 2.858 0 40 DFAB biogenic COc1ccc(/C=C/C(=O)NC(=O)CC(=O)c2ccccc2)cc1 4836964 MUZNNZIIOWRQPS-FMIVXFBMSA-N 323.348 2.624 0 40 DFAB C[C@H](NC(=O)CSc1nncn1C)c1cc2ccccc2o1 7077256 QWJRVFMNRDSZBE-JTQLQIEISA-N 316.386 2.531 0 40 DFAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC(C)(C)C 7095647 BJIVNQKQAGWZHH-NSHDSACASA-N 318.446 2.659 0 40 DFAB O=C(CSc1nncs1)Nc1ccnn1C1CCCC1 7194152 BMYRGXBQSYJEHZ-UHFFFAOYSA-N 309.420 2.581 0 40 DFAB COCCN(Cc1ccccc1)C(=O)Cc1c(C)noc1C 7737089 OQJBDNMGPOPCQS-UHFFFAOYSA-N 302.374 2.509 0 40 DFAB Cn1cc([C@H]2C[C@@H]2C(=O)NCC2(c3ccccc3)CCC2)cn1 68411500 CTSTWWKYEIGJGZ-SJORKVTESA-N 309.413 2.762 0 40 DFAB C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 18207707 JXYRPQBPMGGJIU-NSHDSACASA-N 308.809 2.765 0 40 DFAB NC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2F)cc1 16548669 BWIJSWWDPWYVTA-UHFFFAOYSA-N 307.708 2.935 0 40 DFAB CN(CC(=O)N(c1ccccn1)C1CCCC1)[C@@H]1CCSC1 97085788 WKGQAADNNBEHHJ-OAHLLOKOSA-N 319.474 2.795 0 40 DFAB Cn1cnc(CNC(=O)N(c2ccccc2)c2ccccc2)n1 96007797 LSAMJAKCTWFTJX-UHFFFAOYSA-N 307.357 2.863 0 40 DFAB CC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 97016482 NVJWGNWSAMPGGF-NXEZZACHSA-N 307.868 2.877 0 40 DFAB Cc1occc1C(=O)NCC(=O)N1C[C@@H](C)Cc2ccccc21 97096025 GUFHGFKRJPUNJI-LBPRGKRZSA-N 312.369 2.543 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)o1 97050147 DAKVRQYFVRQDDD-FGEFZZPRSA-N 320.370 2.942 0 40 DFAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)c1 71765007 KYUHDSDYBRYHCJ-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB CCOc1ccccc1CCNC(=O)NCc1cc(CC)no1 96421512 DEEAOPIDISJWOT-UHFFFAOYSA-N 317.389 2.678 0 40 DFAB CN(C[C@H]1CCCN1c1cccnn1)c1ncnc2ccccc12 71859477 ZRHAUCWSODGOGP-CQSZACIVSA-N 320.400 2.525 0 40 DFAB O=C(NCCCn1ccccc1=O)c1cc2cc(F)ccc2o1 71910535 QOUGBVKYJHCXCP-UHFFFAOYSA-N 314.316 2.554 0 40 DFAB C[C@@H](Sc1nnnn1C1CC1)C(=O)c1c[nH]c2ccccc12 9730289 QLAFLUQGHKRRHZ-SECBINFHSA-N 313.386 2.853 0 40 DFAB CC1CCC(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 97107826 YLWDAATURUIKRO-SLTAFYQDSA-N 310.438 2.750 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)CCSc1ccccc1F 72309979 BFRLEOHFIVTYIG-UHFFFAOYSA-N 320.389 2.954 0 40 DFAB O=C(CNc1ccc(C(=O)Nc2ccccc2)cc1)NCC1CC1 72301926 XVCZQZWQYJXORW-UHFFFAOYSA-N 323.396 2.877 0 40 DFAB c1ccc(NC[C@@H]2CCN(c3ncnc4ccccc34)C2)nc1 97200870 URXNNSKRIVCUPD-AWEZNQCLSA-N 305.385 2.963 0 40 DFAB COc1cc(C)c(Cl)cc1S(=O)(=O)Oc1ccccn1 72414652 FJRRGDSQDAFXEF-UHFFFAOYSA-N 313.762 2.820 0 40 DFAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCc2cc(F)cc(F)c21 84459428 UJTSYSFBSVVEHB-HNNXBMFYSA-N 319.282 2.997 0 40 DFAB C[C@@H]1CCN(C(=O)C2CCC(C(N)=O)CC2)[C@@H]2CCCC[C@H]12 79703852 AEFNIWMCKQCGAU-OPKDVZQQSA-N 306.450 2.705 0 40 DFAB Cc1cc(OCC(N)=O)ccc1NC(=O)c1ccc2[nH]ccc2c1 95393232 JIGFUNSCXZTGFX-UHFFFAOYSA-N 323.352 2.593 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)NC1CCS(=O)CC1 95462226 QFBMCKMEMKAESK-UHFFFAOYSA-N 320.336 2.738 0 40 DFAB CN(C)C/C=C/C(=O)NCc1cc(Cl)ccc1OC(F)F 73364085 NAGNUUQOXCMZBE-ONEGZZNKSA-N 318.751 2.675 0 40 DFAB COC(=O)[C@H](S[C@@H](C)CO)c1cccc(Br)c1 95980497 ABGYEUHZCFECIF-GZMMTYOYSA-N 319.220 2.777 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CC=CCC2)c1 9905722 BVNCLEWAGNUITB-ZDUSSCGKSA-N 313.401 2.681 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCc1ccccc1 408710308 WQMKORLENLRGQI-WBVHZDCISA-N 316.445 2.820 0 40 DFAB CC(C)NC(=O)Nc1ccc(C(=O)N(C)c2nccs2)cc1 68451687 NILDBBNUNULXEK-UHFFFAOYSA-N 318.402 2.950 0 40 DFAB O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1CCOCC1 31723677 QDHFATIPJHALFT-UHFFFAOYSA-N 319.188 2.874 0 40 DFAB CC1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 72238163 MUIGNMCAWIVTDX-XJKSGUPXSA-N 320.458 2.916 0 40 DFAB CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N 79415601 GXQYMQSOVDRBTG-CGTJXYLNSA-N 317.477 2.672 0 40 DFAB COC(=O)c1sccc1NC(=O)[C@H]1CC(=O)c2ccccc21 38488475 DHEZXEJNMHIPRX-NSHDSACASA-N 315.350 2.843 0 40 DFAB CC[C@@H](COC(=O)C1CCN(C(C)=O)CC1)c1ccccc1 78556661 NMTFXJTVHADONY-HNNXBMFYSA-N 303.402 2.982 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72838118 UIYRSKZEZWPSDQ-HUUCEWRRSA-N 317.458 2.801 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2C)cc1 225145149 ZOGKOWMMFPHQNT-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1 226751569 QNIDNHUFECBVGI-QZTJIDSGSA-N 310.397 2.979 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC(C)C 222897162 UMDVAESPMZGYPS-INIZCTEOSA-N 320.433 2.737 0 40 DFAB CC(C)N1N[C@](C)(c2cccc(Br)c2)NC1=S 225342854 HVJSFCQFHBKJGS-GFCCVEGCSA-N 314.252 2.725 0 40 DFAB O=C(NCCC[C@H]1CCCCO1)N[C@H]1CCN(C2CCCC2)C1 195562980 FXQLYRRZWDPWTK-DOTOQJQBSA-N 323.481 2.652 0 40 DFAB CS(=O)(=O)CCn1ccnc1-c1cccc(C(F)(F)F)c1 96435831 RPKBRSSQLIPCFP-UHFFFAOYSA-N 318.320 2.614 0 40 DFAB CC[C@H](CO)NC(=O)Nc1cccc(N2CCCCCC2)c1 96435190 QHCADPPOJIIPOP-CQSZACIVSA-N 305.422 2.959 0 40 DFAB O[C@H](CN[C@H]1CCSC1)c1ccc(OC(F)(F)F)cc1 96476798 GGJGFLPHGOGQKL-CMPLNLGQSA-N 307.337 2.714 0 40 DFAB CCC[C@H](C)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 96471342 YIALCYCBYQFFCU-JTQLQIEISA-N 301.383 2.745 0 40 DFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccncc1 96103711 DMLYTLZTFDXSQB-UHFFFAOYSA-N 324.306 2.604 0 40 DFAB CC[C@](Cl)([C@H](O)c1ccc(OC)cc1)S(=O)(=O)CC 96520787 MXEKWAKJIGCDCR-CHWSQXEVSA-N 306.811 2.508 0 40 DFAB COC[C@H]1CCC[C@]12CN(C(=O)c1sccc1C)CCO2 96159868 ZPIZLAUNABCCOJ-CJNGLKHVSA-N 309.431 2.714 0 40 DFAB COc1ccc(Cl)cc1N1CC[C@H](NC2CCOCC2)C1 96476965 VPWXNUNBLVEVDC-AWEZNQCLSA-N 310.825 2.696 0 40 DFAB Cc1cccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 97096568 GSJXKVPQVPUCJO-HZPDHXFCSA-N 303.450 2.716 0 40 DFAB Cc1cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)[nH]n1 96414617 NTJCFNWAODBHQU-UHFFFAOYSA-N 315.373 2.837 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cc1ccccc1O 96411480 JHSJYIAKLYRPGA-RHSMWYFYSA-N 305.418 2.892 0 40 DFAB C[C@@H]1CCC[C@@H]1NC(=O)CSc1nc(-c2cccnc2)no1 96495968 WETNFFLRTLVVRF-PWSUYJOCSA-N 318.402 2.529 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@H]2CO)cc1 242677037 SVXIUGWFYGUGTA-GVDBMIGSSA-N 320.385 2.682 0 40 DFAB CC(C)c1ccc(CC2CCN(C[C@](C)(O)C(=O)O)CC2)cc1 584058887 RUKIIVUZAGGOPA-IBGZPJMESA-N 319.445 2.900 0 40 DFAB CC(C)Cn1nc(C(=O)O)cc1CNCc1ccc(F)s1 256053840 TWLAZRFOHJAAOQ-UHFFFAOYSA-N 311.382 2.728 0 40 DFAB COc1ccc(CCCN2CCO[C@@H]([C@H]3CCCO3)C2)cc1F 252586546 QTBBXNDOXGLRRA-QZTJIDSGSA-N 323.408 2.647 0 40 DFAB CCn1nccc1-c1cc(C[C@@H]2CCCN(C(C)=O)C2)ccn1 257265374 LYKJBCBTVVQHTK-INIZCTEOSA-N 312.417 2.766 0 40 DFAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2ncccc2C)n1 257253369 JYPJLAXOWVXBMN-LJQANCHMSA-N 324.428 2.758 0 40 DFAB O=C(c1ccncn1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257222056 DRRVPZNYXJYHKP-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB Cc1cnccc1CN1CCC[C@H]1c1cncc(CN(C)C)n1 257329599 XKRQMJPLKRITJX-SFHVURJKSA-N 311.433 2.579 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)c(F)c1 85559840 RNUKJBSFSNKZAC-GOSISDBHSA-N 317.335 2.615 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)Oc1ccc(F)cc1 46418221 ZMOHEXKWYLWJJK-UHFFFAOYSA-N 313.288 2.809 0 40 DFAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946358 DMOXIPOLSGJKJD-ZOBUZTSGSA-N 307.365 2.731 0 40 DFAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCSCC1 69186968 HAYICGYZUSLQKP-UHFFFAOYSA-N 302.403 2.512 0 40 DFAB O=C(NCc1ccncc1)N[C@@H]1CCC[C@H]1Oc1ccccc1 95396233 ZVGBWSZSEHSGHG-IAGOWNOFSA-N 311.385 2.881 0 40 DFAB CCOC(=O)c1nnc2ccccc2c1NCc1cccnc1 77898940 FHOKOLLRTOJKLA-UHFFFAOYSA-N 308.341 2.814 0 40 DFAB O=C(Nc1cccc(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 78057419 VIENCBIFYQNTHL-KRWDZBQOSA-N 314.360 2.665 0 40 DFAB c1ccc2c(N3CCN(C[C@@H]4CCCCO4)CC3)nsc2c1 1207958339 FJYBGUMXHVBOHY-AWEZNQCLSA-N 317.458 2.987 0 40 DFAB C[C@H]1C[C@@H](NCc2ccc(CO)o2)CCN1Cc1ccccc1 96456809 QHLLEJNLRGXVNV-RDJZCZTQSA-N 314.429 2.915 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N(C)C3CCCCC3)C2)cc1 5029167 UHRYBYHCEYZZHP-KRWDZBQOSA-N 316.401 2.979 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)N1CCc2ccccc21 5086810 SGXUCSBMESGPJP-UHFFFAOYSA-N 309.365 2.670 0 40 DFAB CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)c(C)c2c1 12194386 ONCGEFCLVLWMBV-GFCCVEGCSA-N 302.374 2.784 0 40 DFAB O=S(=O)(c1ccccc1F)N1CCO[C@@H](c2ccccc2)C1 12441576 GXGXMGZQHKZLKO-OAHLLOKOSA-N 321.373 2.588 0 40 DFAB CSc1nc2c(nc(SC)n2-c2ccccc2)c(=O)[nH]1 17288069 QQEMYNWWVSISLR-UHFFFAOYSA-N 304.400 2.553 0 40 DFAB O=C(Nc1ccc(OC2CCCC2)cc1)c1nc2ncccn2n1 19657196 WSOSRGNMOQBAIW-UHFFFAOYSA-N 323.356 2.698 0 40 DFAB COC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc(C)c1C 5752994 ZQXYRZZIZRMSDP-JTQLQIEISA-N 324.446 2.964 0 40 DFAB Cc1noc(C)c1CS(=O)(=O)c1ccc(C(F)(F)F)cn1 40498717 OMMSOSAKEZWTEB-UHFFFAOYSA-N 320.292 2.679 0 40 DFAB COc1cc(Cn2nc(-c3ccccc3)ccc2=O)cc(OC)c1 38790858 GSANUELGBAHAEM-UHFFFAOYSA-N 322.364 2.976 0 40 DFAB C[C@](O)(CNC(=O)c1c(F)cccc1Cl)Cc1ccco1 206614110 SHDBJEMGRWDBOF-OAHLLOKOSA-N 311.740 2.796 0 40 DFAB CCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21 13119986 CRAKOGFGZFXYHI-UHFFFAOYSA-N 323.352 2.764 0 40 DFAB COc1c2c(cc3c1[C@@H](CC(=O)C(C)C)N(C)CC3)OCO2 20111716 YUMYKNOGIGNCRN-GFCCVEGCSA-N 305.374 2.568 0 40 DFAB biogenic COCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccccc1Cl 20726910 FRVUSDNMEATTHN-CQSZACIVSA-N 305.765 2.563 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 67989 ICMFYGYYTRMLLJ-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB CC[n+]1cn(C[C@@H](O)COc2ccc(F)cc2)c2ccccc21 316253 VGIQYLPTFXZSBU-OAHLLOKOSA-N 315.368 2.528 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1=O 69521382 FSKQESSMZNXOBT-MRXNPFEDSA-N 302.418 2.960 0 40 DFAB Cc1cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 21057529 ORYUIOJQQRPEGB-CHWSQXEVSA-N 308.422 2.514 0 40 DFAB O=C(Cc1ccccc1Cl)NCc1ccc2c(c1)OCO2 3479440 FUAIAULHTRQFGP-UHFFFAOYSA-N 303.745 2.928 0 40 DFAB CC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)c(Cl)c1 3601634 YXHLBBACNQFKGO-UHFFFAOYSA-N 319.188 2.997 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1 32870562 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COc1ccccc1C(=O)Oc1nnc2c3ccccc3cnn12 1431823 UGRMFEUMCQRBBW-UHFFFAOYSA-N 320.308 2.505 0 40 DFAB C[C@H](NC(=O)COC(=O)Cc1ccsc1)c1ccccc1 3230213 VPWMYQRNYARQPC-LBPRGKRZSA-N 303.383 2.711 0 40 DFAB CC(C)(C)c1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 44456813 YHGUKUCGBRYMPL-GFCCVEGCSA-N 324.446 2.540 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1cccc(Br)c1 3377389 VVQOOLSQPWRCDZ-VIFPVBQESA-N 314.179 2.521 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1 57984616 KSHZFNOUJBBZDC-UHFFFAOYSA-N 321.808 2.735 0 40 DFAB O=C1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc2N1 58071786 ANQCXBTWHILCGU-UHFFFAOYSA-N 319.320 2.941 0 40 DFAB COCCn1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cn1 44973019 CUEUSHJESICTPZ-UONOGXRCSA-N 306.410 2.574 0 40 DFAB Nc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 20193901 MWDPQBLBPPEWCB-UHFFFAOYSA-N 304.733 2.946 0 40 DFAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N)c2)CC1 10875043 OTVFDKMFRQWVNW-LLVKDONJSA-N 324.808 2.726 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2csc(C3CC3)n2)cn1 69848094 WFPFWTWBPUQRRN-ZDUSSCGKSA-N 302.403 2.731 0 40 DFAB CCN1CCC[C@H]1Cn1cnc2c([nH]c3cc(C)ccc32)c1=O 2431210 GUWKRSXEPSSNKC-ZDUSSCGKSA-N 310.401 2.671 0 40 DFAB CCCSc1nnc(S[C@H]2CCCCNC2=O)s1 11447166 OMDYIRSYSDUQES-QMMMGPOBSA-N 303.478 2.801 0 40 DFAB C[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3432238 ZMUNOUBUCGECCC-SNVBAGLBSA-N 312.316 2.821 0 40 DFAB Cc1nc(CN2C(=O)NC3(CCCCCCC3)C2=O)oc1C 63413821 QFFDHELAPLPQTI-UHFFFAOYSA-N 305.378 2.826 0 40 DFAB O=C(CNc1ccc(Oc2ccccc2)cc1)N1CCOCC1 4057788 PTLOUQSFZMZDOB-UHFFFAOYSA-N 312.369 2.750 0 40 DFAB Cc1cccc(C)c1NC(=O)CSCC(=O)NC(C)(C)C 4133087 DMBLCEMRGKJCOQ-UHFFFAOYSA-N 308.447 2.890 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc2c(c1)OCO2 6330481 WRGYCRIUWGMECS-WCQYABFASA-N 306.431 2.958 0 40 DFAB CN(Cc1nnc2ccccn12)C(=O)c1ccc2ccccc2n1 65498412 CQJNYCVVLNGNBH-UHFFFAOYSA-N 317.352 2.550 0 40 DFAB COc1c(CNC[C@@H](O)c2cccc(F)c2)c(C(C)C)nn1C 65535340 FEMHZLWHRDIWFV-OAHLLOKOSA-N 321.396 2.514 0 40 DFAB CCOCc1ccc(CNC(=O)c2cnc(N)c(Cl)c2)cc1 65523531 YLSXBMUXTBDOHW-UHFFFAOYSA-N 319.792 2.784 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 14140139 XRWAZXFURKFCAG-UHFFFAOYSA-N 320.295 2.941 0 40 DFAB O=C(O)c1cccc(-c2nnn(Cc3ccccc3Cl)n2)c1 4656064 KONPTGRKLYAFAY-UHFFFAOYSA-N 314.732 2.740 0 40 DFAB C1CC[C@@H]([C@@]23C[C@@H](C[C@@H]4CCCN[C@H]42)[C@@H]2CCCCN2C3)NC1 5725585 YUKCLPPRYNXRAF-APNJTCTJSA-N 317.521 2.761 0 40 DFAB CC1CCC(N2C[C@H](C(=O)OC[C@H]3CCCCO3)CC2=O)CC1 66752882 AJFVCOQHISIUTI-GYTBAZASSA-N 323.433 2.526 0 40 DFAB Cc1ccc([C@@H](O)CS(=O)(=O)Cc2c(C)noc2C)cc1C 67647442 UTBLHCUQKUCVIN-INIZCTEOSA-N 323.414 2.557 0 40 DFAB CNC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 7597081 MXYTXIUNNSRTDS-UHFFFAOYSA-N 312.369 2.681 0 40 DFAB COc1cccc2c1CCN(C(=O)NC1C[C@@H](C)O[C@H](C)C1)C2 96007895 XVMUJJHYMNBCMP-CHWSQXEVSA-N 318.417 2.719 0 40 DFAB C[C@@H](Cn1cccn1)N[C@@H](C)c1nc(-c2cccs2)no1 69415981 MOOFGKOKZFVHBI-QWRGUYRKSA-N 303.391 2.734 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(F)c1 69493050 VBNBGAQWOCCAHC-CVEARBPZSA-N 306.381 2.533 0 40 DFAB Cc1cccc(Nc2nc(C(=O)N3CCN(C)CC3)cs2)c1 19859161 WDCZWYOCTJBLDP-UHFFFAOYSA-N 316.430 2.583 0 40 DFAB CC(C)(CNC(=O)C1(c2cccs2)CCCCC1)C(N)=O 96414291 YIPBPVARYZRYHR-UHFFFAOYSA-N 308.447 2.578 0 40 DFAB O=C(CC1CCCC1)N1CCCN(Cn2cc(Cl)cn2)CC1 71886573 UGBBALZPMVSGPP-UHFFFAOYSA-N 324.856 2.609 0 40 DFAB COc1cc(NC(=O)c2n[nH]cc2Cl)c(OC)cc1Cl 28225087 ICURSOKSRTUCBL-UHFFFAOYSA-N 316.144 2.986 0 40 DFAB Nc1nc(N)nc(CSCc2ccc(Cl)c(Cl)c2)n1 9690377 HBAMPGARUDAAFI-UHFFFAOYSA-N 316.217 2.776 0 40 DFAB CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1NS(C)(=O)=O 97079818 JONYLFMVBTZQAN-VHSXEESVSA-N 316.398 2.818 0 40 DFAB Cc1ccccc1CCCSc1nnc(Cn2cncn2)o1 84235703 DZWSZNYYNCVNKD-UHFFFAOYSA-N 315.402 2.743 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 97142953 ZXQSACHSYMJIGN-HNNXBMFYSA-N 305.403 2.789 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCc2cc(C)no2)o1 97148055 LZHGNKNUYGTGHR-CQSZACIVSA-N 319.361 2.769 0 40 DFAB CCn1cc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cn1 97139872 NHZYSUZHGRIWTK-SECBINFHSA-N 317.418 2.991 0 40 DFAB C[C@@H](Nc1ccn(CC(F)(F)F)n1)c1nc(C2CC2)no1 97236755 NRCZOONZUVPZEN-SSDOTTSWSA-N 301.272 2.879 0 40 DFAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)CC(C)C 84456644 MTMBVNQOVMYZQX-AWEZNQCLSA-N 317.307 2.823 0 40 DFAB C[C@H](NC(=O)CSc1ccncc1)[C@H](O)c1ccc(F)cc1 95430043 CEESVTHEBBSTKK-ZBEGNZNMSA-N 320.389 2.551 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@](C)(O)c1ccccc1 95441973 ILAHGYAJRQTHCY-KPZWWZAWSA-N 315.417 2.544 0 40 DFAB OCCOc1ccc(NCc2cc(F)cc3cccnc23)cn1 95436162 KSFZJHULTZVKTB-UHFFFAOYSA-N 313.332 2.752 0 40 DFAB COc1cc(F)c([C@H](C)NCc2nnc(C)s2)cc1OC 95985181 ZEWVZJMHOOUTCB-QMMMGPOBSA-N 311.382 2.854 0 40 DFAB Cc1ccnc([C@H](NC(=O)[C@@H]2OCCc3ccccc32)C2CC2)n1 95986970 VJAHMECSSMVFRK-IAGOWNOFSA-N 323.396 2.666 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCCC[C@H]1c1nc[nH]n1 95983124 DZZJRINHULRMHS-AWEZNQCLSA-N 302.353 2.630 0 40 DFAB CCc1oc2ccccc2c1C(=O)N(C)CCN1CCOC1=O 95975128 RHXYFMADLKGPEZ-UHFFFAOYSA-N 316.357 2.519 0 40 DFAB CCn1c(SCCn2ccnc2C)nc2ccccc2c1=O 89300076 OPLNEDMUQLVWHT-UHFFFAOYSA-N 314.414 2.714 0 40 DFAB O=C(N[C@H]1CCCc2occc21)N1CCC[C@H]1CN1CCCC1 89885106 OQTCXXRFMPIYKU-HOCLYGCPSA-N 317.433 2.927 0 40 DFAB Cc1cncc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)c1 306124561 BTPFURUTTJHPLA-UHFFFAOYSA-N 324.409 2.971 0 40 DFAB Cc1nc2ccccc2nc1NC[C@H](C(C)C)N1CCOCC1 30003849 SDQYQJPSYFNREO-QGZVFWFLSA-N 314.433 2.707 0 40 DFAB O=C(NC[C@H]1CCCOC1)c1ccc2nc(C(F)F)[nH]c2c1 552615698 UUYDXZDECRJRSS-SECBINFHSA-N 309.316 2.657 0 40 DFAB CN1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 34019222 OFTBVDMAKZQMSA-GOSISDBHSA-N 300.446 2.810 0 40 DFAB O=C(c1cn(-c2cccc(F)c2)nn1)N1CCc2ccccc2C1 57511709 PBRBITSUASYZII-UHFFFAOYSA-N 322.343 2.605 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1 79415784 MAXBEYWPSYQWFY-KURKYZTESA-N 317.477 2.529 0 40 DFAB COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O 33286171 CARJWQVNDVTOHG-UITAMQMPSA-N 314.160 2.782 0 40 DFAB CC(C)Oc1cccc(/C=C/C(=O)NCCCn2ccnc2)c1 75243173 DURPBSUCUGBYEG-BQYQJAHWSA-N 313.401 2.890 0 40 DFAB CCc1ccccc1CNC(=O)NCCCn1ccnc1C 77547207 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CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(C(=O)O)o1 191671946 YRFRHDGMPNRQTP-OLZOCXBDSA-N 309.362 2.644 0 40 DFAB O=C(/C=C/c1cccnc1)NCc1nccn1Cc1ccccc1 96431612 KFPCKVYIOHXXPJ-CMDGGOBGSA-N 318.380 2.656 0 40 DFAB CN1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 96185583 UWLYFQSSFJALSZ-RYRKJORJSA-N 319.518 2.739 0 40 DFAB CCc1nc(CN2CCC(Oc3ccc(F)cc3)CC2)no1 96406612 UBDJHIZFQBEVEE-UHFFFAOYSA-N 305.353 2.815 0 40 DFAB O=S(=O)(NCc1cccc(F)c1)c1cc(F)cc(F)c1 95068026 LBAVYXRVRPGGAU-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)OCc1scnc1C 96441916 CWDBKGIJFCVPFS-UHFFFAOYSA-N 314.370 2.698 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@@H]1CCOC1)c1cc(F)c(F)c(F)c1 95408171 XBZINOXQHFYFJN-ZJUUUORDSA-N 316.323 2.843 0 40 DFAB COc1cccc(CNC(=O)c2noc(-c3ccc(C)cc3)n2)c1 96125490 YBGCSQCMUFRHOR-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB C[C@@H]1C[C@H](Nc2ccc(OCc3ccccn3)c(F)c2)C(=O)O1 96447866 JGPKOVYRIPDHIC-ABAIWWIYSA-N 316.332 2.916 0 40 DFAB Cn1ccnc1CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 96452268 GNVMVRYFONWSQR-UHFFFAOYSA-N 318.352 2.812 0 40 DFAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(Cl)c1)C2 248155540 VOTMNWLPHNPVHM-ZDUSSCGKSA-N 322.836 2.523 0 40 DFAB Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257248145 JCHORPNSOXUDJK-QWHCGFSZSA-N 306.431 2.530 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1c(C)nn(CC)c1F 253402778 OSBGDRVHIQSUGH-UHFFFAOYSA-N 311.382 2.566 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](N)[C@@H]2O 253500231 ZUUSQEHYADUJAR-WTHIITJZSA-N 307.478 2.688 0 40 DFAB biogenic COc1ccccc1CC(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 257239655 HQGPMJYYWXBYOO-HNNXBMFYSA-N 313.401 2.675 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 257311141 UIEMAXCXCPRTPU-INIZCTEOSA-N 309.417 2.952 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 585182587 NYEYRYFQEGRRAD-CQSZACIVSA-N 321.428 2.995 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)cc1OC 47044576 UBTANOXYJLZQMD-JTQLQIEISA-N 304.350 2.700 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccn(CCc2ccccn2)n1 51418025 ITWHITFLBDYLSU-UHFFFAOYSA-N 324.359 2.841 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1ccsc1 76042828 CBTHIQGCKUZDIR-GDBMZVCRSA-N 305.447 2.966 0 40 DFAB Cc1ccccc1-c1noc([C@H](C)NC(=O)[C@]2(C)CCCO2)n1 12201167 GMPHJZJVHYJRMR-SJCJKPOMSA-N 315.373 2.791 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1ccc2ccccc2n1 12666158 MMMZIHLETRKRSF-UHFFFAOYSA-N 316.364 2.855 0 40 DFAB CC[C@@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)O 13034428 LCCNHSOSESBRRA-LLVKDONJSA-N 301.342 2.832 0 40 DFAB COc1cccc(C(=O)NCCOc2ccccc2OC)c1 15381245 HHEGAQXWWURLAD-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB C=c1[nH]c2ccccc2/c1=c1/sc2nc3ccccc3n2c1=O 16138531 UZMPGPLCHMVLLE-FOCLMDBBSA-N 317.373 2.807 0 40 DFAB CN(C)c1ccnc(CNC(=O)Nc2ccccc2Cl)n1 206723060 HKZNKQXRJBSNMS-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB CN1CCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643557764 WUZNQRZPUPURGR-WBVHZDCISA-N 302.418 2.832 0 40 DFAB COc1ccc(-c2cc([C@@H]3CCN(C(=O)C4CC4)C3)[nH]n2)cc1 12088169 BWQZHCSUYIITAU-CQSZACIVSA-N 311.385 2.811 0 40 DFAB O[C@@](CNc1ncc(F)cn1)(c1ccoc1)c1cccs1 1889149271 RBROHRAOZQLYKC-AWEZNQCLSA-N 305.334 2.618 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H](O)c2ccccc2F)cc1 27350866 UCPBIHSSTUCUTF-INIZCTEOSA-N 302.349 2.667 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cn1 30009748 JVRCOYRBLGHWKA-GFCCVEGCSA-N 314.389 2.595 0 40 DFAB CS[C@H](C)C(=O)Nc1ccc(I)cc1 31665400 GAUVDSCYYMSGIP-SSDOTTSWSA-N 321.183 2.981 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)Nc1cccnc1)CC2 40474195 XSVQQYLVXSUABW-UHFFFAOYSA-N 313.357 2.689 0 40 DFAB CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 4517425 GPBBELYUIVILJX-UHFFFAOYSA-N 312.350 2.544 0 40 DFAB O=C(Cn1cnc2ccccc21)Nc1cccc2nsnc12 7343821 LMWSDJLTAVVPLV-UHFFFAOYSA-N 309.354 2.680 0 40 DFAB COC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1 12440408 VJADDIZSEYMTJV-UHFFFAOYSA-N 311.407 2.560 0 40 DFAB COc1ccc(CCC(=O)NC[C@@H](CCSC)OC)cc1 1775968156 LACOOJLKBHDEQV-OAHLLOKOSA-N 311.447 2.512 0 40 DFAB Cc1ccc(N2CCN(c3ccn4nccc4n3)CC2)c(C)c1 2298065725 AKTIYNYKIASOHN-UHFFFAOYSA-N 307.401 2.673 0 40 DFAB Cc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1 4392316 GFPFKSGCQQFTKD-UHFFFAOYSA-N 310.444 2.589 0 40 DFAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1Cn1cccn1 71866246 ASINTMHCEDKTKE-GOSISDBHSA-N 320.396 2.979 0 40 DFAB COCCn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185160 KQQHHQZYTAVFRK-ZDUSSCGKSA-N 324.384 2.569 0 40 DFAB CCC[C@]1(C)NC(=O)N(CCOc2c(C)cccc2C)C1=O 40116899 QLDNITGZLYESIZ-KRWDZBQOSA-N 304.390 2.793 0 40 DFAB CCOC(=O)c1c(C)n(C)c2ccc(OCCN(C)C)cc12 90893 JCJYZOLORQHTDS-UHFFFAOYSA-N 304.390 2.604 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)C1=Cc2cc(Cl)ccc2OC1 40488624 JLMGUZMVTMAYSO-UHFFFAOYSA-N 317.776 2.508 0 40 DFAB CCc1noc([C@H](C)N(C)CC(=O)Nc2ccccc2Cl)n1 40494398 VNNBVGQLMSLUTD-JTQLQIEISA-N 322.796 2.917 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCNC(=O)C1CC1 40535958 HPWZGJBNQZJNEP-GFCCVEGCSA-N 322.836 2.694 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 17946381 WYQFFNOBRGEYMA-GASCZTMLSA-N 302.418 2.619 0 40 DFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1F)c1cccnc1 32406494 GTXMDQSIBQKVBX-VIFPVBQESA-N 314.769 2.914 0 40 DFAB Cc1ccccc1-n1ncc(C(=O)N2CCOCC2)c1C1CC1 29737315 AJYLOHVGHKXLKB-UHFFFAOYSA-N 311.385 2.531 0 40 DFAB COC(=O)c1cc(NC(=O)CC(C)(C)C)cc(C(=O)OC)c1 373208 WELMAGBYBUIEBK-UHFFFAOYSA-N 307.346 2.635 0 40 DFAB CCCN(C)C[C@@](C)(O)CNc1cc(OC)cc2cccnc12 1656119 QFPWYNUIVJTZCK-SFHVURJKSA-N 317.433 2.748 0 40 DFAB C[C@@]12CCN(CCO)[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 4026892 BSIXKFWZOQKKGU-KRIFKMFISA-N 307.478 2.657 0 40 DFAB Cc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)sc1C 21560961 AEGBOMOEFJNLSM-UHFFFAOYSA-N 313.386 2.808 0 40 DFAB Clc1ccc([C@H]2C[C@@H](c3cccnc3)Nc3nnnn32)cc1 6896405 BBENOCQMEFGXGW-UONOGXRCSA-N 312.764 2.868 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)Cc1ccc(F)cc1 7514842 HWXBLJQKSJHSIJ-WOSRLPQWSA-N 321.392 2.995 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)NC(=S)N1 484992 WNEQMISSMBGJNJ-CYBMUJFWSA-N 308.378 2.570 0 40 DFAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 32999464 WKTSFGDGVYCPHJ-LBPRGKRZSA-N 317.216 2.884 0 40 DFAB Cc1ccc(NCC(=O)NCc2ccc3c(c2)OCO3)c(F)c1 21888878 IQGJQOHFVWMACO-UHFFFAOYSA-N 316.332 2.591 0 40 DFAB O=C(CSc1nnc(NC2CC2)s1)N1CCCCCC1 22172622 MJKBCYFFZZIUNW-UHFFFAOYSA-N 312.464 2.607 0 40 DFAB Cc1cccn2c3c(c(=O)nc12)[C@@H](c1cccc(F)c1)CC(=O)N3 100191495 VGYYTIOFTJCSMJ-CYBMUJFWSA-N 323.327 2.616 0 40 DFAB O=C(N[C@@H]1CCN2CCCC[C@H]12)C1(c2ccc(F)cc2)CC1 46994040 WXXQGGGOKYNAPJ-HZPDHXFCSA-N 302.393 2.600 0 40 DFAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)N1CCCC[C@H]1C 59843291 UPFWFTXIXBTQCT-LLVKDONJSA-N 302.353 2.729 0 40 DFAB C[C@H]1CCCN(CCNC(=O)N[C@H](C)Cc2ccsc2)C1 106529402 KBMWVEPXSQDNMS-UONOGXRCSA-N 309.479 2.710 0 40 DFAB CN(C)[C@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl 25327002 QDULRXUTDXEYIM-NSHDSACASA-N 309.624 2.603 0 40 DFAB COc1cccc(CCN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 56158850 SIHFAIPXWJQRGL-LJQANCHMSA-N 324.424 2.847 0 40 DFAB O=C(Nc1cccc(F)c1)N1CCN(Cc2cscn2)CC1 56520415 FTWHHEROVLMLGS-UHFFFAOYSA-N 320.393 2.632 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)CCOCC(C)C 57223122 XSACCUYGNGWJSI-UHFFFAOYSA-N 302.378 2.577 0 40 DFAB CCc1cccc(CC)c1NC(=S)N1CCC[C@H](C(N)=O)C1 47807645 RWMSAFBXAPUZJT-AWEZNQCLSA-N 319.474 2.706 0 40 DFAB C(=C/c1ccccc1)\CN1CCN(CCc2ccccn2)CC1 57846893 VCNUBIVHZUGYHL-RMKNXTFCSA-N 307.441 2.955 0 40 DFAB CCC[C@@H](C)NC(=O)c1cn(C)c2ccc(OCC)cc2c1=O 22237349 ISQCBQPBHHOHOE-GFCCVEGCSA-N 316.401 2.856 0 40 DFAB CN(Cc1nc2ccccc2s1)C(=O)NC1CCC(O)CC1 44909837 VRHNJIAWEWHYBE-UHFFFAOYSA-N 319.430 2.741 0 40 DFAB CCOC(=O)c1c(NC(=O)[C@H](C)N(C)C)sc2c1CCCC2 3252566 AHHKTOOUAZAFFG-JTQLQIEISA-N 324.446 2.692 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 10641760 SHHFBBXRMLOZNF-OAHLLOKOSA-N 308.337 2.954 0 40 DFAB CCCCN1C[C@@H](C(=O)NCc2ccc(Cl)cc2)CC1=O 8271198 UZVXVAIYRMAPFK-ZDUSSCGKSA-N 308.809 2.605 0 40 DFAB CN(Cc1ccncc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 48333418 ZWKWJXLLOQSUOT-UHFFFAOYSA-N 309.369 2.702 0 40 DFAB COc1ccc(-c2n[nH]c(CNCc3cccc(OC)c3)n2)cc1 69807899 PFGTXUHOCUZASY-UHFFFAOYSA-N 324.384 2.779 0 40 DFAB CCCN(CC(F)(F)F)C(=O)c1csc(NC(C)=O)n1 63851376 JETTWRWPORVQRA-UHFFFAOYSA-N 309.313 2.516 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ncccc2F)C1 91460518 OUTMCIYJCQVBOF-LBPRGKRZSA-N 309.385 2.962 0 40 DFAB CCCOC(c1ccccc1)(c1ccccc1)[C@@H](O)C(=O)OC 39086668 TYGDYCVAHQUDMB-KRWDZBQOSA-N 314.381 2.891 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 69464535 RFCQTUWHHDAAPJ-CYBMUJFWSA-N 306.797 2.959 0 40 DFAB Cc1cc(C)n2nc(C(=O)OCc3ccc(Cl)cc3)nc2n1 5021401 VQTCBLSGTSECBW-UHFFFAOYSA-N 316.748 2.752 0 40 DFAB Cc1ccc(NC(=O)N2CCC(C(=O)N(C)C)CC2)cc1Cl 18175931 JKBUYALRGOLNHK-UHFFFAOYSA-N 323.824 2.981 0 40 DFAB COCC(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 5274217 FQGNYNSJDGNPGP-UHFFFAOYSA-N 311.385 2.569 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1ccc(F)c(F)c1 6321247 DFZIUFOGXFWJIZ-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB [O-][n+]1onc(C(Cl)(Cl)Cl)c1C(Cl)(Cl)Cl 4481611 KUCWTQNOKGYWGE-UHFFFAOYSA-N 320.774 2.961 0 40 DFAB CCOCCN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1C 69926501 UYWGBCXKPLAXGM-AWEZNQCLSA-N 309.454 2.515 0 40 DFAB O=C1CCCN1c1ccc(CC(=O)N2CCc3ccccc32)cc1 14188867 NRGIOGWRMKUGQO-UHFFFAOYSA-N 320.392 2.945 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 14186172 CGMHOSNGBOENSE-UHFFFAOYSA-N 322.162 2.988 0 40 DFAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(=O)N(C)C 69653735 ZDTBXVNUFROTEZ-GFCCVEGCSA-N 321.384 2.580 0 40 DFAB CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 65606836 LWXVMACWTDYUFO-DLBZAZTESA-N 312.369 2.865 0 40 DFAB CC(C)COC[C@@H](NC(=O)NCc1ccccn1)c1ccco1 69654714 NIQYPLWSEOYMDS-OAHLLOKOSA-N 317.389 2.888 0 40 DFAB CC(C)N1CCCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 69726706 CVQUZENBYATLCD-INIZCTEOSA-N 317.433 2.636 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306143567 YFQFGENXWRKAGH-MRXNPFEDSA-N 321.384 2.517 0 40 DFAB Nc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1 18206531 ZANUESALAOPRGS-UHFFFAOYSA-N 316.411 2.768 0 40 DFAB aggregator CCc1ccc(C(=O)N2CCC[C@H](c3noc(CC)n3)C2)o1 67885176 WTLFGDBZUYALAV-NSHDSACASA-N 303.362 2.807 0 40 DFAB CCC(O)(CC)CNC(=O)c1c(C)noc1-c1ccccc1 96012427 GFCCYTQVYNNOBH-UHFFFAOYSA-N 302.374 2.931 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 96125619 MMLDSGLYKUZQIA-QFBILLFUSA-N 312.413 2.795 0 40 DFAB biogenic O[C@@H](c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1 19809098 JXTCBBRMDNXMEA-OALUTQOASA-N 315.388 2.975 0 40 DFAB O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCSCC1 97048386 WGDONMANBUMVQI-ZDUSSCGKSA-N 310.394 2.798 0 40 DFAB Cc1occc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97086593 OORIPOQFMANSLN-AWEZNQCLSA-N 318.760 2.555 0 40 DFAB C[C@H](O)CN(C)Cc1ccc(Br)c2cccnc12 97085965 YYADRGRMJINQLV-JTQLQIEISA-N 309.207 2.810 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1 71839890 KECVSVBKKUZHJP-IXDOHACOSA-N 302.393 2.626 0 40 DFAB CCN(C(=O)CSCCOc1ccc(OC)cc1)C1CC1 71993074 LDOWZBDURRNMEE-UHFFFAOYSA-N 309.431 2.818 0 40 DFAB CCN(CC)C(=O)C1(NCc2noc(C(C)C)n2)CCCCC1 71911946 PNUKMENAHRFVJL-UHFFFAOYSA-N 322.453 2.854 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1 9670056 LXVIQJNHQOIHQT-UHFFFAOYSA-N 300.387 2.662 0 40 DFAB C[C@H](NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1)C1CC1 96875891 ZGCAWPFUUWCRMP-ITTMYVLYSA-N 316.382 2.539 0 40 DFAB Cc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1-n1cncn1 72297127 FGNABDCVUAYCJC-SJORKVTESA-N 318.380 2.862 0 40 DFAB CCC[C@H](NCc1cccc(OC)c1OC(C)C)C(=O)OC 97164447 ZHLGLTQLUPURJN-AWEZNQCLSA-N 309.406 2.914 0 40 DFAB CCc1cc(NC(=O)[C@@H]2CCCN2C(C)=O)c2ccccc2n1 97147349 UXLFYMWIMGAEMA-KRWDZBQOSA-N 311.385 2.747 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccnc(C2CCCC2)n1 97141707 JHTMAJVWFQWETB-UHFFFAOYSA-N 300.362 2.920 0 40 DFAB CCOc1cccc(CNC(=O)c2nn(C)c3ccccc23)c1 72331709 UHZCMQWXHFJIRX-UHFFFAOYSA-N 309.369 2.902 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccncc1 97380133 XJYMMTYUOVUVHQ-GFCCVEGCSA-N 315.421 2.902 0 40 DFAB C[C@H]1CCCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 72552697 MFMNELPUKUVAAI-DZGCQCFKSA-N 306.410 2.716 0 40 DFAB COC(=O)c1cc(F)ccc1Cn1ccc2occc2c1=O 95350152 SHWDPRSCLYMLFK-UHFFFAOYSA-N 301.273 2.569 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCCSC1 95460428 HOYASHIDBWNKDV-OLZOCXBDSA-N 308.451 2.769 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)N(C)C[C@@H]1CCOC1 95408140 QMLNMPNFLZZNGL-HOTGVXAUSA-N 320.433 2.749 0 40 DFAB O=C1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)N1 84838986 IHCBLVZWLKSTHZ-XXRWXEQKSA-N 312.413 2.750 0 40 DFAB Cc1nn(CCO)c(C)c1CN1CC(C)(C)Oc2ccccc21 95943582 BREOPWQZVUUZQX-UHFFFAOYSA-N 315.417 2.670 0 40 DFAB O=C(c1csc2ccccc12)N1CCC(n2ccnn2)CC1 95979311 LUUAPHWPZSHRNO-UHFFFAOYSA-N 312.398 2.970 0 40 DFAB COc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1 89444035 NBXYKDGGVWGVJW-QGZVFWFLSA-N 319.426 2.571 0 40 DFAB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1COCCO1 75091954 GUPQIIZJHHPVCO-ZOWXZIJZSA-N 311.809 2.706 0 40 DFAB CC[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(N)=O 75137636 VPTQJJNFNPLJRP-LLVKDONJSA-N 322.302 2.779 0 40 DFAB O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CC1 89813410 GUNWUISQKPCHQG-CHWSQXEVSA-N 307.777 2.909 0 40 DFAB CC(C)NC(=O)C[C@@H]1CC2(CCNCC2)Oc2ccccc21 306137591 RAQCGBSCHWXNTI-CQSZACIVSA-N 302.418 2.590 0 40 DFAB CC(C)N1CC[C@H](c2nnn3cc(-c4cccnc4)ccc23)C1 306125466 CSBJUPGDCYNKMZ-INIZCTEOSA-N 307.401 2.989 0 40 DFAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 32818072 NGIBLFGJOQVAFI-MRXNPFEDSA-N 323.396 2.501 0 40 DFAB Cc1cccc(-c2cnc3n2CCN(Cc2cnn(C)c2)C3)c1 306140993 VIJPGFTVUNNBHH-UHFFFAOYSA-N 307.401 2.608 0 40 DFAB Cc1nccnc1NCC1CCN(C(=O)OC(C)(C)C)CC1 72203767 XTBZMZSSKXTWCR-UHFFFAOYSA-N 306.410 2.844 0 40 DFAB Cc1nccc(CCC(=O)N2CCC(Cc3cccnc3)CC2)n1 556701189 TWJIPROIZRJWMU-UHFFFAOYSA-N 324.428 2.594 0 40 DFAB C[C@@H](Cn1nnc2ccccc21)NC(=O)C1(c2ccccc2)CC1 72324192 XYOLECXTZHGPCX-AWEZNQCLSA-N 320.396 2.668 0 40 DFAB CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 71900487 GYTLJJOCZDCNTO-NSHDSACASA-N 311.223 2.674 0 40 DFAB CC(C)N(CC(=O)O)C[C@@H]1CCCCN1Cc1ccccc1 79393425 FCZWXYBGQLDSQT-KRWDZBQOSA-N 304.434 2.836 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cnc(C(C)C)nc1C 222572841 IHHAIOPPMCBZJM-UHFFFAOYSA-N 313.357 2.947 0 40 DFAB COc1ccccc1CCNC(=O)c1nnc(-c2ccccc2)o1 41124396 GSTOAEVWRMZOCZ-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB O=C(COc1ccccc1)NCc1cccc(CN2CCCC2)c1 46374417 TYJXMAKPHUQMPF-UHFFFAOYSA-N 324.424 2.978 0 40 DFAB Cc1cc(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)n[nH]1 225752649 HUAHAXXZYHBOEG-UHFFFAOYSA-N 324.837 2.832 0 40 DFAB Cn1ccnc1CCN[C@H](c1ccccc1)c1ccc(F)cn1 195560633 IWLUQFSBUYWFRZ-GOSISDBHSA-N 310.376 2.876 0 40 DFAB Fc1ccc([C@@H]2OCC[C@@H]2NCCCn2ccnc2)cc1F 192137933 LXIIGKBGNZOCRU-HOTGVXAUSA-N 307.344 2.671 0 40 DFAB CO[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 195564684 IQRCJIMBZBSODN-BRWVUGGUSA-N 318.417 2.631 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)ncn2)C1 96516850 NDYVXYSCKPPWAA-GFCCVEGCSA-N 301.321 2.584 0 40 DFAB CCCc1nnc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)s1 96415783 IEQJEIJHIQGYKL-QMMMGPOBSA-N 323.422 2.848 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 96479499 AQIULXDSOUNHNK-HUUCEWRRSA-N 301.386 2.820 0 40 DFAB CCc1csc(NC(=O)NC[C@H](O)c2ccccc2F)n1 96435575 PJHPDBBFBLKDJV-LBPRGKRZSA-N 309.366 2.700 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@H](C)Oc1cccc(F)c1 96425905 NROMEFGTGULLAE-JTQLQIEISA-N 306.337 2.557 0 40 DFAB CCCn1nccc1-c1ccc(C[C@H]2CCN(C(C)=O)C2)cn1 257311747 UKVKBPIFOWKNSL-MRXNPFEDSA-N 312.417 2.766 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCCC[C@H]2CNCC[C@H]21 257334881 YHTUOZNLMPLYIC-DOTOQJQBSA-N 304.409 2.749 0 40 DFAB Cc1csc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)n1 69351724 ZDYNTKZQJIVONA-UHFFFAOYSA-N 301.415 2.506 0 40 DFAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc2c(c1)OCCO2 36612218 PLBJVACXGOGRLV-INIZCTEOSA-N 310.305 2.942 0 40 DFAB CC(C)(C)[C@@H](NC(=O)CSc1cn[nH]n1)c1cccs1 89621681 CFJRAVZUEBQRRV-LBPRGKRZSA-N 310.448 2.862 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 585234403 POHZCITVJOAKRA-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB CCOC(=O)CC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 709903922 KJPWRPBAVPPGFI-SNVBAGLBSA-N 307.337 2.974 0 40 DFAB O=C(O)[C@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1 13434575 KQJBEHXUEBESFS-CQSZACIVSA-N 317.728 2.832 0 40 DFAB CCn1c(N2CCC[C@@H](C(=O)NC(C)C)C2)nc2ccccc21 13566359 NZIQQZSGBIVGEK-CQSZACIVSA-N 314.433 2.797 0 40 DFAB Cc1nc(-c2cccs2)c(CC(=O)NC2=NCCS2)s1 15840126 YNHLHBZLDCXBKY-UHFFFAOYSA-N 323.468 2.942 0 40 DFAB O[C@H](CCN1CCOCC1)C1c2ccccc2Cc2ccccc21 17013150 DLMQSNWNJFNAOY-HXUWFJFHSA-N 323.436 2.806 0 40 DFAB C[C@H](N1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 19365813 CZVLBNHFOMBLQS-KRWDZBQOSA-N 310.441 2.558 0 40 DFAB CSCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(F)c1 158099226 NLLHRWXMNGLIHA-LBPRGKRZSA-N 304.818 2.518 0 40 DFAB COc1ccc(CC2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)cc1 154876413 CMPHUFQZYGIUDA-MSOLQXFVSA-N 316.445 2.604 0 40 DFAB Cc1cccc(N2CCN(c3nc4cccnc4n3C)CC2)c1C 1889179237 QJMKZCJXQCZRIW-UHFFFAOYSA-N 321.428 2.912 0 40 DFAB Cc1ccoc1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24790141 PAQJGUFMYFKJLZ-UHFFFAOYSA-N 324.384 2.719 0 40 DFAB COc1ccc(-c2nnc(NC(=O)c3ccco3)o2)cc1OC 5372381 GFPIVJBOVWEWEQ-UHFFFAOYSA-N 315.285 2.599 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 23105455 BYNVFMULRHESSL-AWEZNQCLSA-N 304.415 2.789 0 40 DFAB O=C1C[C@H](c2noc(-c3ccco3)n2)CN1c1ccccc1F 109698092 OTVWKAKGJJKIAK-JTQLQIEISA-N 313.288 2.989 0 40 DFAB CC(C)CNC(=O)c1occc1CS(=O)(=O)c1ccccc1 40477449 NPYQRRIXJGARND-UHFFFAOYSA-N 321.398 2.639 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(Cl)s1)C(C)C 32038120 XIUKMYPVTDVPSM-PELKAZGASA-N 302.827 2.739 0 40 DFAB CCn1c(=O)c2ccccc2c2c(O)nc(-c3ccc(C)o3)n21 101752759 MOAWFPCBWDJLHG-UHFFFAOYSA-N 309.325 2.943 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 361945 JFMNAURQXXOEME-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB O=C1Nc2cc3c4c([nH]c3cc2[C@@]1(O)C(F)(F)F)CCCC4 4654017 YPIQHCZMJAOTFB-AWEZNQCLSA-N 310.275 2.749 0 40 DFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccncc1 7505043 SAXSPQSPLPNKGK-MRXNPFEDSA-N 300.358 2.564 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)NCc1ccc(F)cc1 7667900 ABOWOBYCNBEEMV-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCO[C@H]2CCCC[C@H]21 71821211 IZDWMJUXMGMNLE-SJORKVTESA-N 310.397 2.947 0 40 DFAB C[C@@H]1CCCN(CCCCNC(=O)c2n[nH]c3ccccc23)C1 46991805 LHAIKWMQKZCRJE-CQSZACIVSA-N 314.433 2.805 0 40 DFAB COc1ccccc1NC(=O)CCc1nc(-c2ccco2)no1 21524044 XLXHWOBCWBFQEK-UHFFFAOYSA-N 313.313 2.910 0 40 DFAB CCOc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 12412542 CZHWXZKFABBBMN-UHFFFAOYSA-N 324.336 2.572 0 40 DFAB O=c1oc2ccc(Cl)cc2n1CN(C[C@H]1CCOC1)C1CC1 54495804 OYFFGFUKVRMWBX-LLVKDONJSA-N 322.792 2.706 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1F)N(C)C 23694022 LINTYBSIUDHAIR-MRXNPFEDSA-N 316.376 2.867 0 40 DFAB biogenic COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cnsn2)c1 47610784 XAJANKJLSIOTMH-CYBMUJFWSA-N 319.386 2.533 0 40 DFAB CN(C(=O)NC1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O 76065766 GVWIIMRPXLEADK-MRXNPFEDSA-N 315.417 2.766 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1F 24987455 MYMUYOMXEMGUON-UHFFFAOYSA-N 322.771 2.727 0 40 DFAB CC[C@H](NC(=O)[C@H](C)CC)c1ccccc1OCC(=O)N(C)C 55598355 WZUIPDXGZIOCBB-HIFRSBDPSA-N 320.433 2.767 0 40 DFAB C/C=C/C=C/C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 12534038 BHNQCKURTCMWBX-VNKDHWASSA-N 316.376 2.809 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1)N(C)C 23712164 VHCQADCUKVWJCH-MRXNPFEDSA-N 316.376 2.867 0 40 DFAB biogenic CC(C)(CNC(=O)c1ccccn1)N1CCc2ccccc2C1 25460711 VNZSHVROANYGDX-UHFFFAOYSA-N 309.413 2.648 0 40 DFAB O=C(O)C[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1 1514320 JDJDBKXNCSZFDY-ZDUSSCGKSA-N 309.321 2.541 0 40 DFAB O=C(NC[C@@H]1OCCc2sccc21)N1C[C@@H]2CCC[C@H]2C1 108102418 YEFSOWQYBYMXSW-OBJOEFQTSA-N 306.431 2.803 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccc(OC)cc1 27346910 FGAFKRLUYBZTIA-OAHLLOKOSA-N 317.389 2.841 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@H]2CCCO2)CC1 57407058 ASKCZJIZKNAJSP-OAHLLOKOSA-N 323.824 2.669 0 40 DFAB CC(C)[C@H](Sc1ccccn1)C(=O)NCc1cccnc1 58282256 XRXRKTBUWWJKAN-HNNXBMFYSA-N 301.415 2.910 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1ccc(Br)cc1 58330600 DWVFVWYLZOZDNA-LLVKDONJSA-N 300.152 2.637 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 62262046 LHCYTAXBGPMYRU-MRXNPFEDSA-N 323.396 2.562 0 40 DFAB O=c1c2ccsc2ncn1CCOCCOc1ccccc1 48353652 ZJYLYYJTVSFEDV-UHFFFAOYSA-N 316.382 2.554 0 40 DFAB CCCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1C 19909515 FLJSMLWTKMTVDM-UHFFFAOYSA-N 308.403 2.998 0 40 DFAB O=C(NC1CCOCC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 62647289 NVJHHXYMHSQMJV-HOTGVXAUSA-N 322.380 2.524 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(-n3cccn3)c2)C[C@H](C)O1 48554691 NBESXRFKHFIQQN-STQMWFEESA-N 300.362 2.513 0 40 DFAB COc1ccccc1CN(C)[C@@H](C)C(=O)NCc1cccs1 12911240 SFZIVBHKHDMXHF-ZDUSSCGKSA-N 318.442 2.893 0 40 DFAB O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(F)cc1 8855952 YZRARNCIJZOCMB-UHFFFAOYSA-N 315.348 2.654 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 13136438 VEHAJOVWIAWYOP-GASCZTMLSA-N 313.401 2.739 0 40 DFAB CN(C)C(=O)c1ccc(NC[C@H](C2CCCCC2)N(C)C)nc1 83847787 PVYFWQUOBZJMQG-MRXNPFEDSA-N 318.465 2.706 0 40 DFAB CCCN(C(=O)C=C1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 71907988 RIJLFMFFAJPVBJ-WUJWULDRSA-N 313.463 2.549 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(N2CCSCC2)cc1C 65378438 RJMICDBPNUEEFE-CYBMUJFWSA-N 323.462 2.705 0 40 DFAB CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 65476305 QGBWLAXDAFPISH-DLBZAZTESA-N 312.369 2.865 0 40 DFAB C[C@H](NC(=O)CCc1cccs1)c1nnc2n1CCCCC2 65443592 JKUDUPALBFBENI-LBPRGKRZSA-N 318.446 2.876 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccncc1)c1ccccc1Cl 14085230 YYMRZZFEBACCGM-AWEZNQCLSA-N 318.760 2.769 0 40 DFAB C[C@H](C(=O)NC1CCCCC1)N(C)CCOc1ccccc1 14134534 JNXJFFSVHUMDBQ-OAHLLOKOSA-N 304.434 2.835 0 40 DFAB Cc1ccc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c1 14140553 RRJVNHWNOCOFQE-UHFFFAOYSA-N 312.413 2.858 0 40 DFAB CCCCOc1ccc(/C=C/C(=O)NCCC(=O)OC)cc1 62715081 NDKHKCFNHVUOQC-JXMROGBWSA-N 305.374 2.558 0 40 DFAB CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccccc2)C1=O 6758728 RGUVGDZMZNMUDT-INIZCTEOSA-N 323.348 2.709 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCc2ccccc21 6881629 RODIZUCZRJLADJ-ZDUSSCGKSA-N 309.369 2.786 0 40 DFAB Cc1ccc(Br)cc1S(=O)(=O)NC1CCCC1 7667800 FVZIJWXARSHCGB-UHFFFAOYSA-N 318.236 2.978 0 40 DFAB COC(=O)c1ccc2nc(NC(=S)NC(C)C)sc2c1 409188497 CCCLBUGDFJHLJS-UHFFFAOYSA-N 309.416 2.778 0 40 DFAB O=C(c1ccccn1)N1CCN(c2cccc(Cl)c2)CC1 8015965 BLHNNNVSHRLQEE-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB O=C1CC[C@@H](C(=O)N2CC3(CCCC3)c3c(F)cccc32)CN1 69381402 LVMLPTLARPUOQN-GFCCVEGCSA-N 316.376 2.510 0 40 DFAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1C[C@H]1c1ccccc1 69388632 XDHXWYMCTUBUML-GJZGRUSLSA-N 321.336 2.772 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(-n3cncn3)cc2)c1 69489298 ZFLXAFIZANLJSK-CABCVRRESA-N 310.405 2.512 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(C)c2)cc1 20049321 GJOOOQOHXOWGGR-UHFFFAOYSA-N 319.382 2.724 0 40 DFAB O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cccs1 8402644 VUIACKMMTKELEN-MDZDMXLPSA-N 314.410 2.698 0 40 DFAB O=C(Nc1cccc2ccccc12)NC1(CO)CCOCC1 69527553 WPYAUHUURPETDG-UHFFFAOYSA-N 300.358 2.503 0 40 DFAB COC(=O)CCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 69527458 DRXYOGYYHARRRA-UHFFFAOYSA-N 317.307 2.662 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2nc(C)c(C)o2)n1 69624221 KDOYHOFPGOBKRB-OAHLLOKOSA-N 303.410 2.554 0 40 DFAB Cc1ccc(-c2noc(CN3CCCC[C@H]3CCO)n2)cc1F 69663211 MUURTHCDZYGMRL-AWEZNQCLSA-N 319.380 2.921 0 40 DFAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1csc2ccccc12 69697230 PAEJFSDRDYTXJN-SNVBAGLBSA-N 321.427 2.674 0 40 DFAB CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccccc3)c2n1 8577875 QLKJMKYRRDKOML-UHFFFAOYSA-N 311.341 2.516 0 40 DFAB O=C(NCCSc1ncc2ccccn12)OCC(F)(F)F 71804181 CKTUZXGWMACYEG-UHFFFAOYSA-N 319.308 2.715 0 40 DFAB O[C@@]1(CNCc2cccc3cn[nH]c23)CCCc2ccccc21 84023441 MDPYKSCUUQSIHE-LJQANCHMSA-N 307.397 2.877 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 78976297 DLJBLXQDIRRBNK-KGLIPLIRSA-N 300.333 2.575 0 40 DFAB C[C@@H]1CC[C@@H](NC(=O)N2CCOCC3(CCOCC3)C2)[C@H](C)C1 97107944 VJRLXWZVJFTVHE-BZUAXINKSA-N 324.465 2.650 0 40 DFAB Cc1nscc1C(=O)NC[C@@](C)(O)c1ccccc1Cl 97143396 BGYNMNCLCSYUGE-CQSZACIVSA-N 310.806 2.742 0 40 DFAB Cn1cc(C2CCN(Cc3ccn(-c4ccccc4)n3)CC2)cn1 97203180 XIHUVNLTZRLPFK-UHFFFAOYSA-N 321.428 2.985 0 40 DFAB Cc1ccc(O)c(CNc2cccc(N3CCCNC3=O)c2)n1 95429350 RHWSYPQURSTRDQ-UHFFFAOYSA-N 312.373 2.627 0 40 DFAB Cc1cn2c(n1)[C@@H](CNCc1cnc3c(C)cccn13)CCC2 95402068 GSSIDYWPWWJXQD-OAHLLOKOSA-N 309.417 2.815 0 40 DFAB C[C@H](C(=O)Nc1ncccn1)N1CCc2c(Cl)cccc21 95978811 JZOCEEDKZSEWOR-SNVBAGLBSA-N 302.765 2.520 0 40 DFAB CC(C)(O)CNC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 95987663 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CN(C)CCNC(=O)CSCc1ccc(Cl)c(Cl)c1 20492937 NTKGBDVLBIAIPT-UHFFFAOYSA-N 321.273 2.904 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 408620852 KHUPHFBEMOUTAM-OSLXHZNNSA-N 313.784 2.893 0 40 DFAB CC(=O)N1CCC(c2nccnc2Nc2ncc(C)s2)CC1 72365555 RJLQLHMVUFUPPG-UHFFFAOYSA-N 317.418 2.711 0 40 DFAB O=C(CSCCO)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408526654 BQLOWGFEOWKDGL-TZMCWYRMSA-N 319.451 2.714 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCSCC[C@H]1C 189292938 ALMAQCGIVSLHJZ-VXGBXAGGSA-N 324.494 2.505 0 40 DFAB O=S(=O)(Cc1nc(C2CC2)n[nH]1)[C@@H]1CCCc2ccccc21 125110548 LQKQBNNQYKTDRC-CQSZACIVSA-N 317.414 2.675 0 40 DFAB C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccco1)c1ccccc1 33767870 XOXCGJXTWAPKTB-XJKSGUPXSA-N 312.369 2.648 0 40 DFAB CCOC(=O)c1cccc(N/C=C2\SC(=O)N(CC)C2=O)c1 36636162 KTAFIQYVXXMCMY-XFXZXTDPSA-N 320.370 2.832 0 40 DFAB O=S1(=O)CC[C@H](CNc2ccnc3ccc(Cl)cc23)C1 79353699 BLCIGXVZWZKPOP-SNVBAGLBSA-N 310.806 2.735 0 40 DFAB COC(=O)[C@H]1CN(c2nccc(C(F)(F)F)n2)c2ccccc21 79031302 VFGSIVXJBWCNNN-JTQLQIEISA-N 323.274 2.904 0 40 DFAB c1nc([C@@H](NC2CCN(CC3CC3)CC2)C2CCCCC2)n[nH]1 563585068 WUJQVVTZGYOKQU-KRWDZBQOSA-N 317.481 2.890 0 40 DFAB C[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCc4ccccc4C3)cc2C1 49551331 DWMFCOKJWCPSSO-ZDUSSCGKSA-N 322.408 2.698 0 40 DFAB CC[C@@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223300759 ZGIMRVWXLPJERP-OPCAMPFDSA-N 312.369 2.965 0 40 DFAB CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@H]2CCCOCC2)cc1 564651939 QNLMVNRMNVBSKK-SJORKVTESA-N 321.461 2.883 0 40 DFAB O=C(NCC1(c2cccc(Cl)c2)CCCC1)N1CC(CO)C1 191554137 VTEQJZJGISCBJK-UHFFFAOYSA-N 322.836 2.786 0 40 DFAB Cc1cc(C(=O)CN2CCOC[C@@H]2C)c(C)n1CC(F)(F)F 85786152 WOPPHMRISQPWAT-NSHDSACASA-N 318.339 2.571 0 40 DFAB CC[C@H](C)c1noc(C2CCN(C(=O)c3cccnc3)CC2)n1 41122057 UORAMNYYQKIVKU-LBPRGKRZSA-N 314.389 2.998 0 40 DFAB Cc1ccc2nncc(SCc3nnnn3C(C)C)c2c1 46087749 TUGMRZZLRLFHLY-UHFFFAOYSA-N 300.391 2.798 0 40 DFAB CC(C)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 48488964 MAXVIKVYVDUVIS-UHFFFAOYSA-N 308.687 2.822 0 40 DFAB Cc1nccn1-c1ncccc1CNC(=O)[C@@H]1C[C@@H]1c1ccco1 195529609 IBXQVXCAAYXMLX-LSDHHAIUSA-N 322.368 2.589 0 40 DFAB CCn1c(C(=O)NCCCn2ccnc2)cc2sccc21 40809050 JHXLQIHEXVLVBI-UHFFFAOYSA-N 302.403 2.739 0 40 DFAB Cc1noc([C@H](C)ONC(=O)c2cccc(C(F)(F)F)c2)n1 96412924 HUHULVZMFYUSJO-ZETCQYMHSA-N 315.251 2.819 0 40 DFAB O=C(NCc1cccs1)C1CCN(Cc2ccncc2)CC1 95432204 STLYDXUOFOUZPK-UHFFFAOYSA-N 315.442 2.672 0 40 DFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)[C@H]1COc2ccccc21 95396702 LAJXDLBNZBFZQI-GOEBONIOSA-N 313.401 2.590 0 40 DFAB O=C1CCC2(CCC(NCC3CC3)CC2)N1Cc1ccncc1 96075876 HSMLKGWHWUDEKC-UHFFFAOYSA-N 313.445 2.885 0 40 DFAB CC(C)C[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccccn1 95438162 OZINEHLDGSOJPN-PVAVHDDUSA-N 319.449 2.971 0 40 DFAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccco2)cn1 96200684 AGXDPCMRLDCAFR-ROUUACIJSA-N 315.417 2.625 0 40 DFAB O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1N1CCCCC1 96403457 GPLUVBPNVZVYBD-CYBMUJFWSA-N 321.396 2.974 0 40 DFAB c1ccc(N2CCOC[C@@]3(CCCN(c4ccncn4)C3)C2)cc1 96076758 BJSAJUNPVXCAIA-IBGZPJMESA-N 324.428 2.600 0 40 DFAB CN([C@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 96419783 TVLVZAXEEKADAF-NLNRVJQUSA-N 321.442 2.732 0 40 DFAB CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 248000347 NWVYPSHAWJEVKR-SZMVWBNQSA-N 317.477 2.672 0 40 DFAB CN1CC[C@H](COc2ccccn2)CC12CN(CC1CCC1)C2 585102620 CNGOYQLSARKOOW-KRWDZBQOSA-N 315.461 2.657 0 40 DFAB c1cc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)cs1 44975578 QNHDBFZXKVYGRN-QWHCGFSZSA-N 305.403 2.942 0 40 DFAB COc1ccccc1N1CCN(c2nc(C)nc(C)c2C)CC1 301428460 IPADZTRQAPTXPM-UHFFFAOYSA-N 312.417 2.737 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1 78901969 DBYAWHCBRASEGB-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB CSC[C@@](C)(O)CNc1nc(-c2cccnc2)nc(C)c1C 79017122 BWYGFGHXHWZSLB-INIZCTEOSA-N 318.446 2.681 0 40 DFAB CN(Cc1cc(Br)cn1C)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101629088 HJQGMPDLVYSWHB-MJVIPROJSA-N 323.234 2.958 0 40 DFAB O=C(O)c1ccccc1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 5839853 NNMQFPYZEFVSFA-XJKSGUPXSA-N 317.385 2.806 0 40 DFAB COc1cc(NC(=O)c2cnc(C)cn2)c(OC)cc1Cl 15970609 NTGYQOLFNQIGCT-UHFFFAOYSA-N 307.737 2.708 0 40 DFAB Cc1csc(C(=O)NCCCc2cnc3cc(C)nn3c2)c1 206819923 QRAVPXUYSSCEIX-UHFFFAOYSA-N 314.414 2.770 0 40 DFAB Cc1ccc2sc(N3CCN(C(=O)C4CC4)CC3)nc2c1C 5239994 WUWAIWIJCIUKPK-UHFFFAOYSA-N 315.442 2.972 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@@](=O)C2 8553306 RAULSRBKYYKGIF-NRFANRHFSA-N 309.435 2.529 0 40 DFAB c1nc(NCc2ccc3c(c2)CCO3)c2ncn(C3CC3)c2n1 559356692 LGSYUGAZHMSVHC-UHFFFAOYSA-N 307.357 2.708 0 40 DFAB O[C@H](CN[C@@H]1CCCc2ccccc21)COCc1ccco1 5936053 RVSVIQBLLVPPDG-CRAIPNDOSA-N 301.386 2.824 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 9867401 RRCUEHWHIDFOSB-UHFFFAOYSA-N 301.371 2.926 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc2ccccc2s1 10509398 XDXIAPNHLGEJAN-UHFFFAOYSA-N 300.387 2.828 0 40 DFAB COc1ccc(CN(C(=O)c2ccc(C(N)=O)cc2)C2CC2)cc1 23925679 FZWDMEMEWPPYME-UHFFFAOYSA-N 324.380 2.599 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CCO1 30617780 VEXFPCDJGSYQDN-ZDUSSCGKSA-N 311.385 2.611 0 40 DFAB Cc1cc(C)nc(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2087122914 RKCHEQKXGLUODL-UHFFFAOYSA-N 313.405 2.548 0 40 DFAB Cc1cccc2nc(CSC(=S)NC[C@H]3CCCO3)cn12 4137153 NXGVATLSQXIBJS-CYBMUJFWSA-N 321.471 2.929 0 40 DFAB COc1ccc(CNC(=O)C(=O)Nc2c(C)cccc2C)cc1 4583750 RZJCJFWNUIRJJE-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1 5339204 TXVVOFWFXCUKJZ-UHFFFAOYSA-N 322.430 2.745 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)c1ccc(Cl)cc1 75155648 NTCDHMVJMSAVIT-QGZVFWFLSA-N 301.773 2.904 0 40 DFAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N(C)C)cc3C)c2n1 40111636 HRUZKEUXJVPTSF-UHFFFAOYSA-N 323.400 2.973 0 40 DFAB Cc1c(C(=O)N[C@@H](C)[C@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 40497653 AQXWLWVMEQGIGD-SMDDNHRTSA-N 318.417 2.776 0 40 DFAB O=C(c1ccccc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 196570 KAARXCCVXPKKKQ-BXUZGUMPSA-N 312.291 2.940 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 31979539 PZDCDGICXOMINC-KGLIPLIRSA-N 316.357 2.641 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)cc1 20563435 CNRWBNLSXKROBC-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)no1 11717654 PUAYKJAQMCLHRO-UHFFFAOYSA-N 317.345 2.595 0 40 DFAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCCc2ccccc21 101985389 XBWDOZMMIBEARN-DCKJRJMFSA-N 324.428 2.667 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(Cl)cc2)[C@H]2C=C[C@H]1CC2 102259311 BHJUASNSOCANDM-JURCDPSOSA-N 319.788 2.869 0 40 DFAB CCN1CCC(NC[C@@H](O)COc2ccccc2C(C)C)CC1 6834848 VKSVGJLUHRQJME-QGZVFWFLSA-N 320.477 2.624 0 40 DFAB CC(C)C(=O)Nc1ccc(C(=O)CSc2nccn2C)cc1 7901152 DDVMFEMRXVHILI-UHFFFAOYSA-N 317.414 2.990 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCCOC(C)C 8319929 XLVJCETUCJISRH-UHFFFAOYSA-N 312.797 2.518 0 40 DFAB Cc1sc(NC(=O)CSCCO)nc1-c1ccccc1 8332587 JNCSKCVJGVFVAZ-UHFFFAOYSA-N 308.428 2.783 0 40 DFAB CC(C)OC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 9329266 UCPQRMXSKNNDRC-CYBMUJFWSA-N 305.374 2.778 0 40 DFAB O=C(CC1CCCC1)NCc1ccc(CN2CCOCC2)cc1 23198314 WRYKGOSCBOXMTQ-UHFFFAOYSA-N 316.445 2.715 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cccs1 23435655 WXJDDMXHANJIPC-RISCZKNCSA-N 320.414 2.973 0 40 DFAB COCc1cc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)ncn1 119139935 DBLOTMSNGNZHTL-MLGOLLRUSA-N 312.373 2.848 0 40 DFAB CO[C@H](CNC(=O)NCc1cn2ccccc2n1)c1ccccc1 43476565 ZVTCOBZIVLMUKS-MRXNPFEDSA-N 324.384 2.521 0 40 DFAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCO1 55628960 PHHBYJSGWMPQLE-ZWNOBZJWSA-N 317.307 2.768 0 40 DFAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1F 56084728 QFEINRDMZJEJEE-UHFFFAOYSA-N 318.258 2.937 0 40 DFAB COc1ccc(CCNC(=O)c2coc3ccccc3c2=O)cc1 3257019 GITCTQDZNRAOES-UHFFFAOYSA-N 323.348 2.774 0 40 DFAB CCCN(Cc1ccccc1)Cn1nnc2ccccc2c1=O 57395292 UWIVRRNMRJGSQH-UHFFFAOYSA-N 308.385 2.661 0 40 DFAB CCOc1ccc2c(c1)C=C(C(=O)NCC(F)(F)F)CO2 48178259 SJHVYJOIVDCODE-UHFFFAOYSA-N 301.264 2.540 0 40 DFAB CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 27582818 UQWQKIUIEBZOLW-QGZVFWFLSA-N 304.434 2.675 0 40 DFAB C[C@@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)OCO3 2158558 RQGWUHDQRLWIKN-LLVKDONJSA-N 301.342 2.896 0 40 DFAB biogenic COCCN(C(=O)c1cc(-c2ccc(C)s2)[nH]n1)C1CC1 44955450 SVXAHRIPCJNHAB-UHFFFAOYSA-N 305.403 2.698 0 40 DFAB c1ccc(CNc2ccc3nc([C@@H]4CCCNC4)nn3c2)cc1 306131216 JYTMQDQEQXMAEY-OAHLLOKOSA-N 307.401 2.808 0 40 DFAB Cc1nccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)n1 58343689 ZICFQVNUCWRIRP-UHFFFAOYSA-N 319.368 2.712 0 40 DFAB CC[C@@H](Nc1cccc(COC)c1)C(=O)Nc1cc(C)on1 28372530 FRHVRRGVWCAHIQ-CQSZACIVSA-N 303.362 2.959 0 40 DFAB CCC[C@@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 58776379 YDEKGNMRJSLXQW-CYBMUJFWSA-N 301.390 2.816 0 40 DFAB CCc1nnsc1C(=O)Nc1ccccc1N1CCCC1 48353866 KZNJVWJXZHKLLS-UHFFFAOYSA-N 302.403 2.953 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(C)cc2O)cc1 3494619 JQWLKHNEFGORBT-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB Cc1sc2nc(SCc3cnn(C)c3)nc(N)c2c1C 69625480 XWVNPWXRDZSNFF-UHFFFAOYSA-N 305.432 2.916 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(Cl)s1 49445743 GCTAEECMZROSDB-RKDXNWHRSA-N 317.842 2.504 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C)c2C)c(F)c1 6113767 DBAKESBHXWEDBH-UHFFFAOYSA-N 319.332 2.829 0 40 DFAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)OCO2 14484594 ICWWIRGTGATEAM-JTQLQIEISA-N 309.325 2.783 0 40 DFAB CC(=O)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1 9364521 APTNSCMSMXOWFX-UHFFFAOYSA-N 309.369 2.646 0 40 DFAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(F)cc1 8816432 PXKICFUMIGMMQI-UHFFFAOYSA-N 302.305 2.691 0 40 DFAB O=C(Cc1ccc(F)cc1)NCCCN1CCc2ccccc21 29520515 OZZPNPXQFJNWCQ-UHFFFAOYSA-N 312.388 2.937 0 40 DFAB Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2ccnc2)C(=O)CCC1 7425253 GWPZGUYPJJQQFR-CQSZACIVSA-N 323.396 2.726 0 40 DFAB O=C(CCc1ccsc1)OCC(=O)c1ccc2c(c1)OCO2 7555696 RWJPTBIXUWZVML-UHFFFAOYSA-N 318.350 2.836 0 40 DFAB Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 7749431 MQGBBESPHLYJRU-LBPRGKRZSA-N 316.332 2.714 0 40 DFAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC 7737129 LHHPGORJYPHUTR-LLVKDONJSA-N 322.434 2.955 0 40 DFAB CSC[C@H](C)N(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1 81784325 MKGFWBCTBSTCEX-JTQLQIEISA-N 304.419 2.604 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1 69492835 SYUNKKGSAGWDRE-LLVKDONJSA-N 301.390 2.718 0 40 DFAB CC(C)[C@@H](C)N(C(=O)c1ccc(CNC(N)=O)cc1)C1CC1 69465773 JSTWPYBUDHLHIH-GFCCVEGCSA-N 303.406 2.504 0 40 DFAB NS(=O)(=O)c1ccc(Oc2ncccc2C(F)(F)F)cc1 71790002 WMLGJYDJAJPBOS-UHFFFAOYSA-N 318.276 2.540 0 40 DFAB CCc1ccccc1NC(=O)CN1CCN(C/C=C/Cl)CC1 96998133 TUPBJRSKUOQKPF-VMPITWQZSA-N 321.852 2.558 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCc2ccco2)n1 71870072 PLTVTEWUUGGBAH-HNNXBMFYSA-N 301.390 2.717 0 40 DFAB CNC(=O)COc1ccccc1CNCC1(c2ccccc2)CC1 71825193 AQSPMGVKWBIYBF-UHFFFAOYSA-N 324.424 2.633 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)no1 84116960 UMKHQKRIBPXDGC-GFCCVEGCSA-N 305.765 2.645 0 40 DFAB CCC[C@@H](C)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 97082170 LKTJTRFHNMGCQU-OAHLLOKOSA-N 303.450 2.951 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1cc(Cl)sc1Cl 97197602 OYPDCCNHBRJSAX-ZETCQYMHSA-N 316.213 2.996 0 40 DFAB CCN(Cc1csnn1)[C@H]1CCN(Cc2ccccc2)C1 97139504 XIBZZQFTZWIGCK-INIZCTEOSA-N 302.447 2.635 0 40 DFAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1 97109557 OBHRKCVOUKVCTO-GFCCVEGCSA-N 324.384 2.810 0 40 DFAB COCCn1cc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cn1 72302939 MIEUPINZYXOSOH-CJNGLKHVSA-N 314.389 2.754 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCN(C2CCCC2)C1 78551279 HUXNYSIPBBSWBP-BYIUCRAPSA-N 320.458 2.594 0 40 DFAB Cc1cc(C(=O)NCc2cc(N(C)C)nc3ccccc23)no1 78947417 VWTSKVIOXJQFKN-UHFFFAOYSA-N 310.357 2.527 0 40 DFAB O=C(N[C@@H]1CC=CCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 78980296 HBXZEOSQUPGNNU-WBVHZDCISA-N 322.449 2.855 0 40 DFAB Cc1ccccc1CCCN1CCN([C@@H]2CCCN(C)C2)CC1 84695232 PINOKWHZEUKOJE-HXUWFJFHSA-N 315.505 2.639 0 40 DFAB CCc1nnsc1C(=O)N1C[C@@H](CC)Oc2ccccc21 95401766 DHYPNPWSKHHOIC-SNVBAGLBSA-N 303.387 2.918 0 40 DFAB CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 95994463 SJVSUOJNRRNMAV-CYBMUJFWSA-N 308.765 2.742 0 40 DFAB Cn1nncc1CN(Cc1cccc(Br)c1)C1CC1 95982486 IRAIBLFZQJOOKM-UHFFFAOYSA-N 321.222 2.742 0 40 DFAB O=C(C[C@@H]1CNCCO1)Nc1ccc(Oc2ccccc2)cc1 95962140 HCHHHDAPDNHEKK-QGZVFWFLSA-N 312.369 2.796 0 40 DFAB Cc1ccc(S[C@@H](C)C(=O)NCC(=O)NC(C)(C)C)cc1 9918124 DWEBOVUKWCKXTR-LBPRGKRZSA-N 308.447 2.507 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1cccc(-c2nnc(C)o2)c1 89736412 FBQKPBNKTMZCTR-ZIAGYGMSSA-N 302.330 2.769 0 40 DFAB COc1cccc2c1CC[C@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1 89930262 QRUANCLJVWSRSQ-TYNCELHUSA-N 304.390 2.501 0 40 DFAB Cc1cc(=NCc2nnc(C3CC3)n2C)c2cc(F)ccc2[nH]1 545916488 RLLOSABBKURBSJ-UHFFFAOYSA-N 311.364 2.722 0 40 DFAB Cc1c(CNC(=O)c2coc(C3CCCCC3)n2)cnn1C 547622604 KXLCVPJFSQBVIM-UHFFFAOYSA-N 302.378 2.694 0 40 DFAB CCCc1nc(NC2CC2)c2nnn(Cc3ccccc3)c2n1 35290020 MGMGGLMREVZBRD-UHFFFAOYSA-N 308.389 2.796 0 40 DFAB Cc1[nH]ncc1C(=O)NCc1cc(Cl)ccc1OC(F)F 73363839 AJFUPEODBMKLBX-UHFFFAOYSA-N 315.707 2.903 0 40 DFAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1 71979820 XONZPSGRXBBZBF-KDJCLPLCSA-N 303.358 2.519 0 40 DFAB O=C(O)c1cccc2c1CCN(Cc1cc(CO)ccc1F)C2 530165583 IBMHQCHWWKILNV-UHFFFAOYSA-N 315.344 2.575 0 40 DFAB O=C1NCCCC12CCN(Cc1cccc3ncccc13)CC2 72393747 DGLLAGPJQYFQDP-UHFFFAOYSA-N 309.413 2.727 0 40 DFAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cc1cccc(O)c1 182285877 JITZCHVGXPRDOS-UHFFFAOYSA-N 320.295 2.810 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(Nc3cccc(F)c3)ncn2)C1 217364183 BEKFSNGMDRBVHT-LLVKDONJSA-N 316.336 2.660 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)[C@H]1SCCc2ccccc21 79753934 NDPDKWVQBNAGGD-CJNGLKHVSA-N 305.443 2.902 0 40 DFAB CC(C)(C)OC(=O)N1CC(c2ncc(Br)cn2)C1 1536220441 KYZUIFZNJXYTEK-UHFFFAOYSA-N 314.183 2.573 0 40 DFAB CC(C)Nc1ccc(F)cc1NC(=O)CNC(=O)C(C)(C)C 74256487 ZXNBJYKKZYHNBD-UHFFFAOYSA-N 309.385 2.747 0 40 DFAB CC(C)NCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616963 GPHOPNWDGYUVRT-UHFFFAOYSA-N 309.373 2.953 0 40 DFAB C#CCOc1ccc2ccccc2c1[C@H]1N[C@@H](C(=O)O)CS1 75259984 RZYWFZDUDGLAAX-CJNGLKHVSA-N 313.378 2.640 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@H]2N)cc1 218487009 PNUSQSAOUXUMJN-ARFHVFGLSA-N 321.829 2.915 0 40 DFAB CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1OC(F)(F)F 225462403 LIKPOJUQAKQSML-LBPRGKRZSA-N 304.312 2.527 0 40 DFAB C[C@H]1COCCN1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 87281601 SPEJVEITBZTCLV-LSDHHAIUSA-N 317.433 2.778 0 40 DFAB C[C@H]1CC(NC(=O)NCCc2ccc(F)c(F)c2)C[C@H](C)O1 190094111 QEMBYUQGHUMDPE-QWRGUYRKSA-N 312.360 2.763 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2CCC[C@@H](C)C2)n1 225886666 GBEUMXCOFKFRSH-LLVKDONJSA-N 307.467 2.718 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)c(OC(C)C)c1 195578389 BREJBIWASNILPR-ZBFHGGJFSA-N 320.433 2.742 0 40 DFAB COC[C@@H]1CN(C)C[C@@]12CCN(Cc1ccc(Cl)cc1)C2 96218176 OIQYZXVHHRGNEC-DOTOQJQBSA-N 308.853 2.740 0 40 DFAB O=S(=O)(Nc1ccsc1)c1cnn(Cc2ccccc2)c1 96435730 LZDSKNNUSNSICN-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(CC(=N)O)[C@H](C)c1ccccc1 330389352 XYKGRZGVVZGXSV-VLXAULBPSA-N 304.390 2.925 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)CCc2ccnn2C)C12CCCCC2 97097344 SOCLYNLSIISEMA-JKSUJKDBSA-N 319.449 2.597 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](CCO)C(C)C 96434730 GBJOSKUTTCUMHK-OAHLLOKOSA-N 316.405 2.709 0 40 DFAB C[C@H]1C[C@@H](N(C)Cc2nccn2C)CCN1Cc1ccccc1 96414935 NULWCOLXZRRKEF-WMZOPIPTSA-N 312.461 2.905 0 40 DFAB CN(C)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 96158629 LCJZSPIXEHSZQL-OAHLLOKOSA-N 322.836 2.665 0 40 DFAB C[C@@H](CO)NC(=O)Nc1ccccc1N1CCc2ccccc21 91166369 JCZHFSNCBYEFHR-ZDUSSCGKSA-N 311.385 2.883 0 40 DFAB C[C@@H](NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1cn[nH]c1 535315305 SDWAJZLUQSKGDT-SSDOTTSWSA-N 305.288 2.715 0 40 DFAB O=C(c1cc(F)c(F)c(O)c1F)N1CCOCC12CCCC2 97374785 MCFJGTOJAVOSLY-UHFFFAOYSA-N 315.291 2.595 0 40 DFAB C[S@@](=O)C[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 96445527 SJWISJDJOHKOLS-FPTDNZKUSA-N 323.364 2.814 0 40 DFAB O=C(Nc1ccc(I)cc1F)NC1CC1 91302212 GAJDOJAFIZOJMS-UHFFFAOYSA-N 320.105 2.714 0 40 DFAB CCS(=O)(=O)c1ccc(CNc2nc(C(C)C)no2)cc1 95464281 HVRAHUFRDFVIRI-UHFFFAOYSA-N 309.391 2.599 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)nc2ccccc2c1C 252483140 DVYSERKVEYGQML-ABAIWWIYSA-N 318.442 2.694 0 40 DFAB O=C(c1ccncc1)N1C[C@H]2CCC[C@H](Cc3ncccn3)[C@H]2C1 257305353 SPPLUVYPPKDHGL-BRWVUGGUSA-N 322.412 2.603 0 40 DFAB O=C(O)c1ccc(=O)n(Cc2ccc3[nH]c4c(c3c2)CCCC4)c1 257203068 AOOBKWXXKPUDMW-UHFFFAOYSA-N 322.364 2.955 0 40 DFAB COc1ccc(CC(=O)N(C)C2CCN(C(C)C)CC2)cc1 43113330 UFTBEAZYARJMMR-UHFFFAOYSA-N 304.434 2.569 0 40 DFAB CC(C)(C)c1csc([C@@H]2CN(Cc3cnns3)CCO2)n1 290028720 NFVOZPQKXREAHU-NSHDSACASA-N 324.475 2.866 0 40 DFAB COc1cccc(Cn2nc(-c3ccco3)n(C3CC3)c2=O)c1 96119113 NJPMEAJXIKBOJO-UHFFFAOYSA-N 311.341 2.697 0 40 DFAB CC(=O)Nc1ccc(Nc2cc(-n3ccnc3C)ncn2)cc1 585194842 JOIYSKHZXHANFF-UHFFFAOYSA-N 308.345 2.673 0 40 DFAB Cc1cc(CNC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)no1 89604886 PRLGWJLDKICDAD-XJKSGUPXSA-N 315.373 2.655 0 40 DFAB COc1ccc2cc(C(=O)NCc3cccnc3)c(C)nc2c1 17169239 SPDNCOHRDILHMA-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB COc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 201357799 KHORCGWXPAYAIP-IAGOWNOFSA-N 311.381 2.995 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 9140153 BBGYWGPQKPAQRT-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB C[C@H](Sc1nc(CN2CCCC2)nc2ccccc12)C(=O)O 19797496 PJVYUUJXCRCGEO-NSHDSACASA-N 317.414 2.791 0 40 DFAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1Cl 575605175 AJWYAAYKWVWPBJ-CQSZACIVSA-N 322.836 2.571 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)nc1 1889091442 BXTQLQUQQVYRAU-OAHLLOKOSA-N 324.432 2.558 0 40 DFAB Cc1cc(C(=O)NC[C@@]2(O)CCCc3sccc32)c(C)o1 1889093096 YSVZFJBLTHYQFO-INIZCTEOSA-N 305.399 2.912 0 40 DFAB Cc1cc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)no1 38903324 FUYLOOHYNQQCKE-UHFFFAOYSA-N 304.350 2.509 0 40 DFAB Cc1csc(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)n1 245053688 PGFVGESLLVLUFR-GFCCVEGCSA-N 319.386 2.657 0 40 DFAB CC(C)N1CCO[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)CC[C@H]2C1 1565545569 IWJBYZZEHNSPCO-YQVWRLOYSA-N 320.477 2.691 0 40 DFAB CCCc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1 112155 GHYOJYTYPGMFTF-VIFPVBQESA-N 315.333 2.794 0 40 DFAB Cc1nnsc1C(=O)NCc1cc(-c2ccccc2F)on1 38754213 KUDGKXOKCIUZPJ-UHFFFAOYSA-N 318.333 2.571 0 40 DFAB O=C(NCCC1=CCCCC1)c1ccc(O[C@H]2CCOC2)nc1 225707616 YYXBHUZFOFMTOI-INIZCTEOSA-N 316.401 2.870 0 40 DFAB O=C(NCC[C@H](O)c1ccoc1)c1ccccc1Br 90612993 AJWWZBXHSUUISZ-ZDUSSCGKSA-N 324.174 2.896 0 40 DFAB CCCc1nnc(NC(=O)Nc2nnc(CCC)s2)s1 45221929 YJHYSFBGOCUHHT-UHFFFAOYSA-N 312.424 2.939 0 40 DFAB COc1cccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)c1 211769 KWGZHHHEVHFDEO-CVEARBPZSA-N 311.337 2.690 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)C1(c2ccccc2)CCC1 46190380 ZSZVRYDFTLDRIW-UHFFFAOYSA-N 315.413 2.910 0 40 DFAB Cc1ccc(-c2noc(Cn3cnc4sccc4c3=O)n2)cc1 8395663 PNEBKNINFWUCPE-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB Cc1nnc(N(Cc2ccco2)C(=O)c2cccnc2)s1 814740 AKNCYIBHMSIKKY-UHFFFAOYSA-N 300.343 2.682 0 40 DFAB COCCN(CCOC)C(=O)c1ccc2[nH]c(C)c(C)c2c1 21275095 JGVBNPAQMBEVTD-UHFFFAOYSA-N 304.390 2.520 0 40 DFAB O=C1C(=O)N(c2ccc(F)cc2)C(=S)N1c1ccc(F)cc1 2123053 NCOSHKVRFNMBDS-UHFFFAOYSA-N 318.304 2.630 0 40 DFAB COc1cc(CNC(=O)N[C@H](C)CCc2ccccc2)ccn1 32794798 QXUNQIOLHMSTDO-CQSZACIVSA-N 313.401 2.911 0 40 DFAB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 4111567 OATADCACUCTNIL-YVSFHVDLSA-N 302.349 2.716 0 40 DFAB CC(C)N(CCn1c(S)nc2ccccc2c1=O)C(C)C 6459396 WUYOVKIGEHVBOF-UHFFFAOYSA-N 305.447 2.804 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1 8490020 SLTAAWHFLPDLIR-GFCCVEGCSA-N 321.398 2.743 0 40 DFAB COc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 9587384 GYANPBRNCSINLX-UHFFFAOYSA-N 314.366 2.861 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103488108 XDKQZASWFPKWLP-ONQXIZJVSA-N 321.442 2.992 0 40 DFAB CCc1nc(CN2CCN(c3ccccc3O)CC2)cs1 23903541 JWHNHXVLRWHNAF-UHFFFAOYSA-N 303.431 2.733 0 40 DFAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1 100426817 JFWHVRSGGOLTEX-HOTGVXAUSA-N 317.458 2.905 0 40 DFAB COc1ccc(S[C@H](C)C(=O)N(C)C2CCN(C)CC2)cc1 56057533 UKTPESVGWYLTJR-CYBMUJFWSA-N 322.474 2.728 0 40 DFAB O=C(NCC1CCCC1)N(Cc1cccnc1)C[C@H]1CCCO1 56878542 RUSZLZUUYXRGLX-QGZVFWFLSA-N 317.433 2.962 0 40 DFAB COc1cc(OC)cc(-c2noc([C@@H](N)CCSC)n2)c1 57354854 SOILOAHKCVEYRX-LBPRGKRZSA-N 309.391 2.507 0 40 DFAB O=C(NC(=S)N[C@H]1CCCc2ccccc21)c1ccco1 3225918 NCIXJFUPUFDFQL-ZDUSSCGKSA-N 300.383 2.962 0 40 DFAB NC(=O)[C@H](Nc1cccc(Cn2cccn2)c1)c1ccccc1 27013839 HYARQNWMDYGCMJ-QGZVFWFLSA-N 306.369 2.570 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1 44867071 RTHIMOXVHACTTF-OAHLLOKOSA-N 321.442 2.965 0 40 DFAB O=C(Nc1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 58282478 BAUYKFJMTIBHNJ-UHFFFAOYSA-N 311.385 2.742 0 40 DFAB O=C(NCc1cccnc1)Nc1ccn(Cc2ccccc2)n1 44973486 XLHIZRVANCKAJP-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1Cl 27872434 FNYILODNQLRXIF-ZYHUDNBSSA-N 313.829 2.942 0 40 DFAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc3[nH]ccc23)c1 58377335 AYBYVNDGELBFTO-UHFFFAOYSA-N 316.338 2.667 0 40 DFAB O=C(c1ccccc1Cl)N1CCN(c2nccs2)CC1 10668630 OEWPRPBQGVAGJG-UHFFFAOYSA-N 307.806 2.759 0 40 DFAB CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@H](O)c1ccccc1 12755263 NJGDSKBLWHXCFO-UGSOOPFHSA-N 323.396 2.967 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12736356 HZIBYYLMCSWBSW-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1cnc2c(cnn2C(C)C)c1 48311717 QQWMSEOBNFXTRU-CYBMUJFWSA-N 316.405 2.511 0 40 DFAB Cc1cccc(Nc2nnc(S[C@H]3CCOC3=O)s2)c1 3457433 PEVCQKNAHPLHRC-JTQLQIEISA-N 307.400 2.998 0 40 DFAB O=C(OCCOc1ccc(Cl)cc1)c1ccc(O)cc1O 3531517 SRBOFSUVFHRCJU-UHFFFAOYSA-N 308.717 2.987 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 13123894 FKHABTCSCRGVTR-AWEZNQCLSA-N 320.352 2.808 0 40 DFAB aggregator C[C@@H](c1cccs1)N(C)S(=O)(=O)C[C@@H]1CCCCO1 69619284 MHDJAYCXVJHPTP-RYUDHWBXSA-N 303.449 2.640 0 40 DFAB CCN(C(=O)c1cccn(Cc2cccc(C)c2)c1=O)C1CC1 64290128 MHJFONWTVRCITR-UHFFFAOYSA-N 310.397 2.830 0 40 DFAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCc4ccccc4C3)cc2C1 49551329 DWMFCOKJWCPSSO-CYBMUJFWSA-N 322.408 2.698 0 40 DFAB COc1ccccc1[C@H]1C[C@H]1NC(=O)COc1ccccc1F 69744425 BXGMBAAFKFNUFS-UKRRQHHQSA-N 315.344 2.885 0 40 DFAB Cc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)nc1 5090481 IHJHJGWGKBIYMW-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB C[C@H](Sc1nncs1)C(=O)NC[C@H](C)c1ccccc1 14111447 RBKMVCCVYKJBNO-QWRGUYRKSA-N 307.444 2.939 0 40 DFAB Cc1cc(C(=O)COC(=O)C2(O)CCCCC2)c(C)n1C1CC1 14323908 MNYKARRFXRKJDO-UHFFFAOYSA-N 319.401 2.861 0 40 DFAB CC[C@@H](C)N(C)CCNC(=O)Nc1cccc(NC(=O)OC)c1 66196891 ZXBWTVLXJRAMBF-GFCCVEGCSA-N 322.409 2.717 0 40 DFAB NC(=O)[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccc1 8922323 NTORGYRKTBFBBH-AWEZNQCLSA-N 324.409 2.819 0 40 DFAB CC(=O)Nc1cccc(NCc2cc(=O)n3cc(C)ccc3n2)c1 7224507 NGCMRIWOJGUSFS-UHFFFAOYSA-N 322.368 2.573 0 40 DFAB Cc1ccc2nc(CN3CCCc4ccccc43)cc(=O)n2c1 7587803 GUGLXFMFDJFAPY-UHFFFAOYSA-N 305.381 2.956 0 40 DFAB Cc1ccc(C=C(C2=NC(=O)CS2)C2=NC(=O)CS2)cc1 408972957 IMHFCLCCPJMCIW-UHFFFAOYSA-N 316.407 2.722 0 40 DFAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1F 7853930 DTOZAIIGFJXHCV-MRXNPFEDSA-N 301.365 2.940 0 40 DFAB Cc1sc2nc(CSc3nnc(C)n3C)nc(N)c2c1C 9157781 SMQAZUCYKDTUSK-UHFFFAOYSA-N 320.447 2.620 0 40 DFAB CCc1noc(CN(CC(C)C)C[C@@H](O)c2ccc(F)cc2)n1 70038004 UDIVHAJUFUTONC-OAHLLOKOSA-N 321.396 2.963 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc[nH]2)cs1 9479819 UROLLSTVSMTQIL-UHFFFAOYSA-N 315.402 2.670 0 40 DFAB Cc1nn(C)cc1C(=O)Nc1cccc(Oc2cccnn2)c1 96449712 ZTTDRLSXUINJTN-UHFFFAOYSA-N 309.329 2.563 0 40 DFAB COc1cc(CNC[C@@H](O)c2ccc(C)cc2)cc2c1OCO2 71819640 ONVJLVZJWXRDSC-OAHLLOKOSA-N 315.369 2.556 0 40 DFAB CCn1nc(C)cc1C(=O)N1CCC[C@@H](N2CCCCCC2)C1 71886539 DJIHPVUIRKWSJP-MRXNPFEDSA-N 318.465 2.692 0 40 DFAB CCS[C@H]1CCCCN(C(=O)CNC(=O)c2ccccc2)C1 71899719 FJSPNNBMVCRAFS-HNNXBMFYSA-N 320.458 2.551 0 40 DFAB Cc1nc(Cc2nnc(SC[C@H]3CCCN(C)C3)o2)cs1 71804173 DRJHVGVYIXBYNC-NSHDSACASA-N 324.475 2.859 0 40 DFAB CN1CCC(N(C)c2ccccc2CNCc2cccnc2)CC1 83877540 ZHDJEWGMSUFYSM-UHFFFAOYSA-N 324.472 2.902 0 40 DFAB CCC(=O)N(C)[C@H](C(=O)OC)c1ccc(Br)cc1 71914758 RVXLMZWSJLTHFW-LBPRGKRZSA-N 314.179 2.532 0 40 DFAB O=C1OCC[C@@H]1NCC1(c2ccc3c(c2)OCO3)CCCCC1 71902588 YRQHOPKRYYSQAU-AWEZNQCLSA-N 317.385 2.522 0 40 DFAB C[C@H]1CCCC[C@H]1OCC(=O)NCc1nc2ccccc2n1C 71903341 QHHPPYFCJXPDKQ-XJKSGUPXSA-N 315.417 2.785 0 40 DFAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@]2(CC=CCC2)C1 71907716 ODQAGWQKGXZXBP-SFHVURJKSA-N 311.385 2.819 0 40 DFAB CC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1F 97081865 QYEHAYGPHWWWBH-OCCSQVGLSA-N 312.772 2.571 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 72235665 QPAWVPPTUPQDDM-AWEZNQCLSA-N 302.378 2.582 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCC[C@@H]1C(F)(F)F 97197441 PDEOJLUGBPEQFE-WOPDTQHZSA-N 315.339 2.683 0 40 DFAB Cc1ccc2c(c1)N(C(=O)c1ccnc(O[C@@H]3CCOC3)c1)CC2 97110060 AKAUCSPQFJKXJW-MRXNPFEDSA-N 324.380 2.761 0 40 DFAB CC[C@H](CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 97107751 MGGIODGZXFOUIB-GFCCVEGCSA-N 305.403 2.626 0 40 DFAB Cc1cc(C(=O)NCc2cccc(C(=O)O)c2)nn1C(C)(C)C 97228703 AIWSDESVZVVWSM-UHFFFAOYSA-N 315.373 2.575 0 40 DFAB CCn1cc(C2CCN(Cc3noc(C(C)C)n3)CC2)cn1 97203648 GBVZZULVEQJVPC-UHFFFAOYSA-N 303.410 2.789 0 40 DFAB O=C([C@H]1CCc2ccccc2C1)N1CCC(c2ncc[nH]2)CC1 95509302 NINNIYYCNIPKNQ-KRWDZBQOSA-N 309.413 2.921 0 40 DFAB Cc1ccc(-n2nc(NC(=O)Nc3cnn(C)c3)cc2C)cc1 95987528 FBGIMFBMFCUNFE-UHFFFAOYSA-N 310.361 2.867 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)C1(O)CCSCC1 95979431 KIZRCUSTPIGENI-OAHLLOKOSA-N 307.459 2.690 0 40 DFAB C[C@H](NC(=O)N[C@@]1(C)CCOC1)c1nc2cc(Cl)ccc2[nH]1 95975369 XGKHKGCDIKJILU-VFZGTOFNSA-N 322.796 2.756 0 40 DFAB Cc1ncccc1C(=O)NC[C@H]1COC2(CCCCCC2)O1 95991687 SZMLZJAPHADAHF-AWEZNQCLSA-N 304.390 2.586 0 40 DFAB CC(C)COC1CCN(C(=O)c2cccc3[nH]cnc23)CC1 95972343 OFQQXAQGDUXGRD-UHFFFAOYSA-N 301.390 2.840 0 40 DFAB C[C@H]1C[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc21 95963108 QINMVIBSDLRPAD-WFASDCNBSA-N 321.442 2.566 0 40 DFAB FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCO3)nn1 95981491 ULSSRWWQLKIEHH-UHFFFAOYSA-N 311.263 2.879 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(C)no2)cc1 74517555 GWDWUGGNXOGPIQ-ZBFHGGJFSA-N 300.358 2.942 0 40 DFAB C1=C(CNC[C@@H]2CCCN2c2cccnn2)COc2ccccc21 75132740 VOFBUMUGESSEDR-KRWDZBQOSA-N 322.412 2.511 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cn1 24992880 VUYUYUVGQMRCCO-MRXNPFEDSA-N 309.369 2.633 0 40 DFAB Cn1ccc2cc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc21 62001678 QRBDTFXGRGGVEE-LPHOPBHVSA-N 312.413 2.946 0 40 DFAB biogenic CC[C@@H](C)OCc1c(I)cnn1CC 408715826 FIHUVTPOMXZABR-MRVPVSSYSA-N 308.163 2.823 0 40 DFAB Cc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 32796796 FVNWVSBYOJVEFF-UHFFFAOYSA-N 303.383 2.549 0 40 DFAB COC(=O)c1nn(C)c(C)c1NC(=O)c1ccc2ccccc2c1 72251014 XGCNNRXYFBCQIS-UHFFFAOYSA-N 323.352 2.921 0 40 DFAB C[C@@H](NC(=O)CNCC1CC1)c1ccc(C(F)(F)F)cc1 37613388 VBSBHUVEHHMJPX-SNVBAGLBSA-N 300.324 2.882 0 40 DFAB O=C(C[C@@H]1CCOc2ccccc21)NCC1(O)CCCCC1 75209442 MJBAYVWCBHXXNJ-AWEZNQCLSA-N 303.402 2.754 0 40 DFAB Fc1ccc2[nH]c3nc(SC[C@@H]4CCCO4)nnc3c2c1 35312220 IAZSWPMMGXTZEK-VIFPVBQESA-N 304.350 2.916 0 40 DFAB CC(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 72363478 OWJUEVNVODEBIE-LBPRGKRZSA-N 317.418 2.711 0 40 DFAB Cc1cc(C(=O)NCc2c(F)cccc2OC(F)F)no1 73280939 RCDYBNMVXRJGMI-UHFFFAOYSA-N 300.236 2.654 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccc2ncccc2c1 561230869 AEBSMLDCIQRWFP-LBTBCDHLSA-N 318.376 2.932 0 40 DFAB COc1ccc(C(=O)c2cccc(CN3CCOCC3)c2)cc1 43210981 JFCBYGUIXIGDTF-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB O=C(Nc1nccs1)c1cc(OCc2ccccc2)ncn1 225533598 HAYNZAOHJSATHA-UHFFFAOYSA-N 312.354 2.764 0 40 DFAB O=C(Nc1ccc(-n2cccn2)cc1)N1CCOC[C@@H]1C1CC1 89856661 CWBAXVGPDJWTJK-MRXNPFEDSA-N 312.373 2.515 0 40 DFAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)NC(C)C)C2 225488451 PCRHITWWKAVPDJ-AWEZNQCLSA-N 317.389 2.644 0 40 DFAB biogenic,in-vitro O=C(NC[C@H](O)c1ccoc1)c1cccc(Br)c1 75171736 TWIPIKACUZHKLX-LBPRGKRZSA-N 310.147 2.506 0 40 DFAB COc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 42646602 RDBOBJPKCGLRPO-UHFFFAOYSA-N 318.760 2.604 0 40 DFAB CCn1nccc1CN[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 195559948 QFTVYFGYGIYQGL-HOJAQTOUSA-N 324.472 2.903 0 40 DFAB COc1ccc(C(N)=O)cc1NCc1ncc(C(C)(C)C)o1 85276130 CEMXKSNYCFGFHY-UHFFFAOYSA-N 303.362 2.692 0 40 DFAB CC[C@@H]1CCCN(C(=O)[C@H](NC2CCOCC2)C(C)C)CC1 96436606 HUGUEZMONPELCA-NVXWUHKLSA-N 310.482 2.818 0 40 DFAB C[C@@]1(C(=O)Nc2nncs2)CC(c2ccccc2Cl)=NO1 96192840 XOKNKRZNSJBWJG-ZDUSSCGKSA-N 322.777 2.713 0 40 DFAB C[C@@H](Sc1ncccc1Br)C(=O)N1CCCC1 96411977 SKLVWBBITVLGQN-SECBINFHSA-N 315.236 2.947 0 40 DFAB CC(C)(C)NS(=O)(=O)c1ccc(Br)cc1F 96171074 IVXIRJRNMJOMFT-UHFFFAOYSA-N 310.188 2.665 0 40 DFAB COC(=O)NCC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 96446763 OPDMWMLNKKXNDN-MNOVXSKESA-N 312.797 2.646 0 40 DFAB CN(C)c1ccc(NC(=O)NC[C@@H](O)c2ccco2)cc1Cl 96415952 YTACGDDELNMAPO-CYBMUJFWSA-N 323.780 2.854 0 40 DFAB CCC(=O)N1CCC(N[C@@H](C)C[C@H](O)c2ccc(F)cc2)CC1 95448584 PPVDBLYFRJSEKL-GUYCJALGSA-N 322.424 2.628 0 40 DFAB CC[C@@H](C)n1nc(C(=O)N2C[C@@H](CO)c3ccccc32)cc1C 331589898 MWGGKQAUKAXQBF-OCCSQVGLSA-N 313.401 2.899 0 40 DFAB O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccco1)C2 96252263 NUOIOROGIWQTHR-BBRMVZONSA-N 314.360 2.765 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2 96201053 ROIWDZRLCMNLIU-UHFFFAOYSA-N 304.463 2.801 0 40 DFAB CC[C@H](c1ccncc1)N(C)C(=O)NCCCn1cc(C)cn1 96415448 HMPXVZUQHMNTCC-MRXNPFEDSA-N 315.421 2.769 0 40 DFAB O=C(c1cccs1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96046884 YRFKSQBQISMGHL-UHFFFAOYSA-N 318.442 2.613 0 40 DFAB Cc1nc(C2CCCC2)sc1C(=O)OCCC(=O)N(C)C 96441891 XUAOLOAVKCSQKZ-UHFFFAOYSA-N 310.419 2.744 0 40 DFAB CCC(=CC(=O)N1C[C@@H](NC(C)=O)CC[C@H]1C(F)(F)F)CC 583621159 HKZJAAWRGCGPCP-STQMWFEESA-N 320.355 2.791 0 40 DFAB C[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]21 96306205 IOUGDLVGAMVLPG-WHFVKQHSSA-N 305.380 2.598 0 40 DFAB Cc1ncsc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 96460254 KVXDLFUNZLSXQJ-HNNXBMFYSA-N 316.426 2.925 0 40 DFAB O=C(c1cccc(F)c1)N1CCOC[C@H](Oc2ccccc2)C1 96113181 UIZHVPQSUFVOHV-QGZVFWFLSA-N 315.344 2.746 0 40 DFAB biogenic,in-vitro CC(=O)N1CCC[C@H]1CCc1cnc(-c2c(C)noc2C)cn1 257304190 SKLISTKVYNPGEX-HNNXBMFYSA-N 314.389 2.692 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(C(C)C)nc2O)n1 257322798 WHKVVLCXJQQORH-CQSZACIVSA-N 314.389 2.919 0 40 DFAB Cc1cnccc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257306951 SWRDXPQLUQMMBA-OALUTQOASA-N 312.413 2.794 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 575403792 JSLILBNKXRMGJB-KBMXLJTQSA-N 307.434 2.609 0 40 DFAB O=C1CC[C@@]2(CCCN(C(=O)c3ccc4ncccc4c3)C2)O1 585282480 DVQOSZSPZAKRLG-GOSISDBHSA-N 310.353 2.547 0 40 DFAB CC(C)(C)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 61650345 OJDICWMASRFCEH-IRXDYDNUSA-N 316.445 2.577 0 40 DFAB CCN(CC)C(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 54009439 IEDDWWJGVISQGW-OAHLLOKOSA-N 316.405 2.570 0 40 DFAB CC(C)OCCN(c1ccccc1F)S(=O)(=O)C(C)C 97082639 AIORVAZNOYVVBX-UHFFFAOYSA-N 303.399 2.795 0 40 DFAB Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1C1CC1 95426784 GQVUAIDEJZWHPW-HZPDHXFCSA-N 320.458 2.786 0 40 DFAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)c1 5019204 QUAVWZJBASPHIB-FZKCQIBNSA-N 307.349 2.591 0 40 DFAB O=S(=O)(O)c1ccc2nc(C(F)(F)F)[nH]c3cccc1c23 150162208 IKQTXOWNMWKVQN-UHFFFAOYSA-N 316.260 2.982 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](Cc2ccccc2)C1 16124638 XEXAQXOMAAQNNI-UONOGXRCSA-N 305.374 2.797 0 40 DFAB Cc1nnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)s1 1888901326 PNLFPVUUWHDSFV-UHFFFAOYSA-N 316.308 2.528 0 40 DFAB CCN1CCC2(CCN(C(=O)c3cccc(F)c3)CC2)CC1=O 1565542075 JQCZUWGMFHCJFU-UHFFFAOYSA-N 318.392 2.690 0 40 DFAB Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1 4102041 SEHMRQKXZMEZBL-UHFFFAOYSA-N 310.444 2.855 0 40 DFAB CCN(CC)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 40494033 GWCWJHOWVAWSMF-UHFFFAOYSA-N 308.382 2.771 0 40 DFAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(Cl)ccc1F 40466545 XBIVVKWGHCLZCT-UHFFFAOYSA-N 317.711 2.912 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)CCc1nc(C(C)(C)C)no1 31378497 UPGQOGPISUXZDY-LLVKDONJSA-N 305.378 2.640 0 40 DFAB CCOc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1OC 31658365 QAXCQWFBSAEAQK-UHFFFAOYSA-N 304.346 2.663 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1C 96490892 APPDXQADFSLYAR-HUUCEWRRSA-N 319.792 2.642 0 40 DFAB CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1cccs1 559568 BFWNMVDEFBJSQP-UHFFFAOYSA-N 307.371 2.797 0 40 DFAB CC[C@@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nccs1 96415422 QOLMMRQCJXNMDV-JOYOIKCWSA-N 307.423 2.697 0 40 DFAB CC[C@H](c1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 1671155 YMGLUMUKUXPCHU-CQSZACIVSA-N 301.367 2.982 0 40 DFAB Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 1673593 BLEXKHFCGBOLFZ-UHFFFAOYSA-N 305.384 2.679 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccccc1Br 2137084 BGZHIYSPJJIFOH-UHFFFAOYSA-N 301.209 2.918 0 40 DFAB Cc1ccc(NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)cc1 32873964 NXYODDUXXPCFBW-GFCCVEGCSA-N 318.402 2.695 0 40 DFAB CC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 4851595 CNKKRRMWAYWVQK-UHFFFAOYSA-N 308.388 2.863 0 40 DFAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NC2CC2)cc1 6033217 IJJYDLMFTPFVME-UHFFFAOYSA-N 319.401 2.575 0 40 DFAB C[C@H](OC(=O)C1CC1)C(=O)Nc1ncc(Cl)cc1Cl 6058134 SNILEKIXWDYQTR-LURJTMIESA-N 303.145 2.669 0 40 DFAB COc1ccc(CN[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 57369791 UKGWOTUGJAHANM-VBQJREDUSA-N 304.434 2.868 0 40 DFAB COCCOc1ccc(CNC(=O)NCc2cccs2)cc1 32933433 WSJMWLBLHFHPRO-UHFFFAOYSA-N 320.414 2.773 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)CN1CC1CC1 46914279 QMDOKYUSKDTAEK-LSDHHAIUSA-N 318.442 2.670 0 40 DFAB CN(C(=O)COC(=O)c1cccc(F)c1)c1ccc(F)cc1 51356472 LOIKHGKSCBOKMJ-UHFFFAOYSA-N 305.280 2.785 0 40 DFAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CNCC(F)(F)F)C1 76041861 XSLSKUKLUQEUSH-ZWNOBZJWSA-N 318.314 2.887 0 40 DFAB O=C(Nc1cccc2cccnc12)c1cc2c([nH]c1=O)CCC2 61718970 BDDVPUMPWPRBIY-UHFFFAOYSA-N 305.337 2.664 0 40 DFAB COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1O 9188146 VURNIUZKDCHQDX-UHFFFAOYSA-N 317.366 2.595 0 40 DFAB Cc1ccc(C[C@H]2C(=O)N(c3nccs3)C(=O)[C@@H]2C)cc1 107184060 PWKSPBUHYNPBHR-DGCLKSJQSA-N 300.383 2.820 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23077963 SWQRXIRXRCMEGM-MLGOLLRUSA-N 304.415 2.696 0 40 DFAB Cc1noc(C2CCN(C(=O)c3c(C)noc3C(C)C)CC2)n1 54135528 MSFGSMIVWKNVIO-UHFFFAOYSA-N 318.377 2.818 0 40 DFAB CNC(=O)c1cccc(C(=O)Oc2ccc(-c3ncc[nH]3)cc2)c1 76911250 XVLASLMLCJLBRR-UHFFFAOYSA-N 321.336 2.656 0 40 DFAB C[C@H](OC(=O)c1csc(-c2cnccn2)n1)c1ccccn1 77943422 BADZMWFBUWKOMT-JTQLQIEISA-N 312.354 2.913 0 40 DFAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cn1 23451657 DOTVWGIYUWLBEG-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB CCc1cnc(CCNC(=O)N(C)Cc2ccc(O)cc2)s1 78953377 XKUOFFDKCLDDBN-UHFFFAOYSA-N 319.430 2.795 0 40 DFAB COc1cc(OC)c(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC 100224834 WSIQRYUXFHSGRV-AVGNSLFASA-N 317.385 2.654 0 40 DFAB O=C(Nc1ccccc1I)C(F)(F)F 1462675 OMPMADRXWAHDGV-UHFFFAOYSA-N 315.032 2.792 0 40 DFAB in-vitro COc1cccc(-c2nnn(CCCOc3ccccc3)n2)c1 58044371 DEHIKZVGZNDMKZ-UHFFFAOYSA-N 310.357 2.818 0 40 DFAB O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ncccn2)C1 108361002 WIJRBRXWNSMJLW-STQMWFEESA-N 309.291 2.808 0 40 DFAB COC(=O)C1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 108349509 MFFAYIWUSTULPH-MMFDQKDXSA-N 310.438 2.842 0 40 DFAB C[C@H](CCc1ccccc1)Nc1ncnc(-n2cccn2)c1N 79109284 PBLSBRXJUQVQOF-CYBMUJFWSA-N 308.389 2.678 0 40 DFAB COc1ccc(CNC(=O)NCC(C)(C)N2CCCCC2)cc1 10080338 AEGKZEITKRLFQM-UHFFFAOYSA-N 319.449 2.759 0 40 DFAB CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 27580291 JLQBXUWVDJINIS-SFHVURJKSA-N 318.461 2.921 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccnc1OCC 27581864 REAPQQGFDDIFBM-UHFFFAOYSA-N 323.352 2.546 0 40 DFAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 58231835 USGRYGAYDGZSOJ-KRWDZBQOSA-N 318.465 2.566 0 40 DFAB O=C(c1ccc(F)cc1)c1c2nc[nH]c(=O)c2c2ccccn12 27788863 ITBWLJXXINLTOA-UHFFFAOYSA-N 307.284 2.546 0 40 DFAB COc1ccccc1C[C@H]1CCCN1CC(=O)NC1CCCC1 58525656 ZBTAWODXOFAVMD-QGZVFWFLSA-N 316.445 2.761 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1 28295765 HJYPOGOCJBKLHT-NSHDSACASA-N 302.378 2.568 0 40 DFAB COc1cc(NC(=O)NCc2ccoc2)ccc1NC(C)=O 48378569 SCEIIWZBQZUSJP-UHFFFAOYSA-N 303.318 2.568 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1COc2ccccc21 58729193 XIFJHXFGIAFFQM-KRWDZBQOSA-N 319.364 2.665 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)s2)N1 11035665 YUAIHXHSWZKRGY-NSHDSACASA-N 303.778 2.848 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc2c(s1)CCCC2 3412268 PXGWNKGFZFAEJL-UHFFFAOYSA-N 308.447 2.614 0 40 DFAB CSc1cccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)c1 8704011 GXBRLIWTSGALTJ-UHFFFAOYSA-N 311.370 2.841 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 12977079 TYZOLFZBCHWOAO-UHFFFAOYSA-N 302.305 2.919 0 40 DFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nncn1C 13021651 MZOXGTVRKBDZJG-UPJWGTAASA-N 311.451 2.911 0 40 DFAB O=C(NCc1ccccc1)c1ccccc1OCCn1cccn1 63415896 BZHSEIYSKTXVMU-UHFFFAOYSA-N 321.380 2.892 0 40 DFAB Cc1cccc(N2CCN(C(=O)CCc3ccccn3)CC2)c1 49680121 MZTDPQMNJNBHNK-UHFFFAOYSA-N 309.413 2.671 0 40 DFAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 5155130 HIXMSRXWVPZGIF-UHFFFAOYSA-N 314.288 2.764 0 40 DFAB Cc1noc(N)c1C(=O)OCc1ccc(C(F)(F)F)cc1 14016104 VMQSJHKMLUXTJJ-UHFFFAOYSA-N 300.236 2.941 0 40 DFAB O=C(Nc1nccs1)[C@@H](c1ccccc1)N1CCCCC1=O 65522226 BHSJUEWACRKHQA-CQSZACIVSA-N 315.398 2.835 0 40 DFAB c1cnc(N2CCCN(c3nc4ccccc4s3)CC2)nc1 65567742 ORXLQQNCYGYJGB-UHFFFAOYSA-N 311.414 2.803 0 40 DFAB CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1 14117839 XJOKMEDJPYBHDI-ZETCQYMHSA-N 311.798 2.535 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)s1 14109917 BPJZVIXWIUNGLV-LLVKDONJSA-N 319.386 2.705 0 40 DFAB CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 65613707 AGNBSIMXVMUWQV-AWEZNQCLSA-N 320.433 2.767 0 40 DFAB Cc1nccn1-c1cncc(NC[C@@H]2CCOc3ccccc32)n1 92896775 OYCWYXUFYQCEBT-AWEZNQCLSA-N 321.384 2.949 0 40 DFAB Cc1cc(C)cc(NC(=O)CSc2ncnc3[nH]cnc23)c1 14408965 ZHHCPSRLAIDOKT-UHFFFAOYSA-N 313.386 2.701 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 14427448 ZOHLDFOJTUVOFF-NSHDSACASA-N 318.760 2.920 0 40 DFAB COc1ccc(Nc2ncc(Br)cn2)cc1OC 67119660 OZFCQPGRDFWBML-UHFFFAOYSA-N 310.151 3.000 0 40 DFAB COc1ccc(OCCNC(=O)N[C@@H](C)c2nccs2)cc1 71879742 UZPVLQHJZVIPAM-NSHDSACASA-N 321.402 2.591 0 40 DFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 9218626 BNHOYGSEZPJJSA-HNNXBMFYSA-N 315.373 2.742 0 40 DFAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 9221003 KOXVELQHMFEHPL-NSHDSACASA-N 314.341 2.863 0 40 DFAB CN(Cc1nc2ccccc2o1)C[C@H]1CCCN1c1cccnn1 71859969 ANWMMHAUJUSRNM-CQSZACIVSA-N 323.400 2.719 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 71870013 BILYSFBLPKXWDD-CQSZACIVSA-N 323.400 2.681 0 40 DFAB Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCCC3(C)C)cnc12 91071685 LNGKPMXSPSMTMX-CQSZACIVSA-N 313.401 2.702 0 40 DFAB c1ccc2c(c1)OC[C@@H](CSc1nnnn1C1CCCC1)O2 8231904 VJECRSYGQQGHPN-LBPRGKRZSA-N 318.402 2.720 0 40 DFAB CSc1sc(NC(=O)Cc2c(C)nn(C)c2C)nc1C 69380920 FSNXXNZVNAAQBB-UHFFFAOYSA-N 310.448 2.705 0 40 DFAB Cn1nnnc1SCCOc1c(Cl)cccc1Cl 8327237 BEZZTIBBTMKDPG-UHFFFAOYSA-N 305.190 2.688 0 40 DFAB CCN(C)C(=O)c1ccc(I)c(C)c1 69484362 GEXVVCDKCBEVPD-UHFFFAOYSA-N 303.143 2.692 0 40 DFAB COCc1nc(C)cc(NCc2ccccc2-n2ccnc2)n1 91506326 NFKVDRIETYVNLF-UHFFFAOYSA-N 309.373 2.729 0 40 DFAB Cn1ncc2c(Nc3ccc(F)cc3)nc(N3CCCC3)nc21 17148905 IKGBRQLZSYNOIQ-UHFFFAOYSA-N 312.352 2.846 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](N(C)C)C1 69616937 IBLRAWCAHNHSLG-STQMWFEESA-N 309.841 2.693 0 40 DFAB NS(=O)(=O)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 71790003 ZAYPIQKGAVDLTK-UHFFFAOYSA-N 318.276 2.540 0 40 DFAB C[C@H]1NCCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94598790 OHQZDXVJYZMPDH-LDYMZIIASA-N 304.287 2.715 0 40 DFAB CC(C)CC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 72294595 GAEYTIBJBBFJDD-WMZOPIPTSA-N 318.461 2.828 0 40 DFAB CCOC(=O)c1cccnc1N1CC[C@H](C)[C@H](n2ccnc2)C1 97140775 IVXSSOHIACQMRK-DZGCQCFKSA-N 314.389 2.542 0 40 DFAB CC1CCC(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCCN2C)CC1 72304907 KQQOOWWYOKGORK-IKJBURDNSA-N 323.525 2.876 0 40 DFAB COc1cccc2cc(CNCc3cc(C(N)=O)cs3)oc12 97228851 NAPWPXNKYMMVOV-UHFFFAOYSA-N 316.382 2.892 0 40 DFAB CCc1nc(COC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)cs1 95393055 FJXBSOMOZDZLMH-GFCCVEGCSA-N 324.446 2.643 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc2nc(C3CC3)oc2c1 84755210 SYKRYXBWSVNZLX-UHFFFAOYSA-N 303.362 2.941 0 40 DFAB O=c1[nH]c2ccccc2cc1CNc1cccc(-c2nc[nH]n2)c1 95431146 PLEUFYMFWBIDLU-UHFFFAOYSA-N 317.352 2.925 0 40 DFAB O[C@H](COc1ccccc1)COc1ccc(-n2ccnc2)cc1 95439030 CUVVCXKFVXJPEB-MRXNPFEDSA-N 310.353 2.691 0 40 DFAB O=C(Cc1cccc(O)c1)NC[C@@H]1CCO[C@@H]1c1ccccc1 98014498 REKXNLVSWQNKFR-QFBILLFUSA-N 311.381 2.829 0 40 DFAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccncc1Cl 88270240 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O=C(N[C@@H]1CCCOc2cc(F)ccc21)N[C@@H]1CCCC[C@H]1O 185775458 XLLAZNIUEDXCRJ-RBSFLKMASA-N 322.380 2.642 0 40 DFAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1ccccc1F 36635710 UITGXUKYVKOXBD-CYBMUJFWSA-N 302.280 2.709 0 40 DFAB CCOC(=O)C1CCN(C(=O)CCc2ccc(F)cc2)CC1 74642684 RCQNQGURYWVETC-UHFFFAOYSA-N 307.365 2.560 0 40 DFAB Cc1cc2ncc3c(n2n1)CCN(C(=O)Nc1cccs1)C3 218865907 YTCAJLNCXWRFCU-UHFFFAOYSA-N 313.386 2.689 0 40 DFAB CC(C)N1CCC(c2nccnc2NCC2(C)COC2)CC1 72365513 YENWVYPOYIHANG-UHFFFAOYSA-N 304.438 2.513 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72354596 PTQBNGCNUYEWKW-CQSZACIVSA-N 300.337 2.548 0 40 DFAB CCN1CCN(Cc2ccc(Br)cc2F)CC1 42205877 TVYCINJTJPIFGN-UHFFFAOYSA-N 301.203 2.726 0 40 DFAB CC(C)c1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)co2)cc1 567792622 LPAHMTZSBJEAIT-UHFFFAOYSA-N 323.370 2.926 0 40 DFAB Cc1ccc(-c2nnc3sc(C4=CCN(C)CC4)nn23)cc1 226250171 GADAKIHWUMMZAZ-UHFFFAOYSA-N 311.414 2.880 0 40 DFAB CCn1ccc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)n1 227165755 JXKXMOZKXSSLGO-CYBMUJFWSA-N 309.373 2.966 0 40 DFAB CC(=O)N1CCC2(CC1)CN(CC1CC1)c1ccc(F)cc12 96161033 PYNBLBQFOQRUHV-UHFFFAOYSA-N 302.393 2.936 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CCCO1 97107068 YVLNQZMNDDCSHG-GFCCVEGCSA-N 312.163 2.769 0 40 DFAB c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)nc1 96042230 NFJYMUVAWBPCNE-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB Cc1ccc(CN2CC[C@@]3(C[C@H](n4ccnc4)CO3)C2)s1 96219672 SLTHEGUMKPSSKK-GOEBONIOSA-N 303.431 2.859 0 40 DFAB C[C@@H](O)C[C@H](CNC(=O)c1ccc(O)cc1F)c1ccccc1 97232594 MOEKMTHQYBUUFN-TZMCWYRMSA-N 317.360 2.816 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(C)cc1 96521385 CKGNWMHTDPLLCM-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB CCCCc1noc([C@@H](C)SCc2nnnn2C2CC2)n1 96413057 FLJKAFZKXYZMLY-SECBINFHSA-N 308.411 2.728 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccncc3)CC2)N1 96061425 BOUNGCXBAFKNMU-GOSISDBHSA-N 321.424 2.720 0 40 DFAB O=C(Nc1c(F)cccc1F)N1CCn2nc3c(c2C1)CCC3 239611754 FDFUVFSSOPITMG-UHFFFAOYSA-N 318.327 2.698 0 40 DFAB Cn1ccnc1CNc1cccc(Oc2ccccc2C(N)=O)c1 95412023 JUKLBGUDPYUPRE-UHFFFAOYSA-N 322.368 2.923 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)c2ccccc2)c1 96408251 QZTJYGKTTBNKCJ-QFIPXVFZSA-N 317.410 2.834 0 40 DFAB c1ccc(CCN2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)cc1 96216590 XOMJHXPATGJJHD-MISYRCLQSA-N 324.424 2.650 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CCC[C@H]1c1cnccn1 257305622 SQUYELVCPTYKGQ-HNNXBMFYSA-N 313.405 2.550 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1ccc(Cl)cc1F)CC2 257216790 CWBHYCVVYXALJG-HNNXBMFYSA-N 313.800 2.985 0 40 DFAB COc1ccccc1[C@@H]1CN(Cc2csc(C)n2)CCN1C 257225051 FEPCWHWCBIBDJS-INIZCTEOSA-N 317.458 2.949 0 40 DFAB CCN1C(=O)CC[C@@H]2N(Cc3cccnc3)CCCC[C@@]21C 257337371 YSMZWBFPPVNHNO-WMZOPIPTSA-N 301.434 2.837 0 40 DFAB COC(=O)[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)C1 255188977 MWSBKJHTPNMHSX-XJFOESAGSA-N 310.390 2.514 0 40 DFAB Cc1cc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)no1 257283319 OXUARDJHLFXDJF-IRXDYDNUSA-N 320.364 2.526 0 40 DFAB c1cncc(CN2CCC[C@@H]2c2cncc(-c3ncc[nH]3)n2)c1 257236000 HAKQJINFKPNLMP-MRXNPFEDSA-N 306.373 2.599 0 40 DFAB COc1c(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cc1C 263004831 PDWXBTQNPTZINN-QEJZJMRPSA-N 317.385 2.637 0 40 DFAB CCOC(=O)c1cccc(Br)c1COC(C)=O 725430945 DTQZOSDWAMIZCD-UHFFFAOYSA-N 301.136 2.689 0 40 DFAB CCc1nc(C)c(CN2CC[C@H](Cc3ccccc3)[C@H](O)C2)[nH]1 585279777 ORWCTEIUZNFNOX-SJLPKXTDSA-N 313.445 2.706 0 40 DFAB COC(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 43982149 LRHRUUDUIFVBHR-UHFFFAOYSA-N 310.781 2.548 0 40 DFAB CN(Cc1ccsc1)C(=O)NCc1cn2ccccc2n1 43476822 SYQXGGKQRSDURQ-UHFFFAOYSA-N 300.387 2.737 0 40 DFAB CC(C)COC1CCN(C(=O)NCCc2nccs2)CC1 51337639 BRRFHTNZCSDGCW-UHFFFAOYSA-N 311.451 2.532 0 40 DFAB O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(SC(F)F)cc1 58161978 YFUFSBJCDOUVGH-NSHDSACASA-N 312.385 2.968 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc21 58311976 ITQMHZARWJRKBW-UHFFFAOYSA-N 320.352 2.611 0 40 DFAB CCSc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cn1 68721931 CAQKVOUIWBIRPZ-UHFFFAOYSA-N 316.386 2.937 0 40 DFAB CN1CCC[C@@H](CSc2nnc(-c3cccs3)n2C)C1 71804188 ZLUNRUPFKIQAPD-LLVKDONJSA-N 308.476 2.978 0 40 DFAB CCOc1ccc(NC(=O)COc2cccc(C(=O)O)c2)cc1 13080021 TWKJGTIUKXJMAI-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB COC(=O)COC(=O)c1cccnc1Sc1ccccc1 14043229 OKHHOHRPZBRGNH-UHFFFAOYSA-N 303.339 2.563 0 40 DFAB O=C1NCCNC[C@H]1Cc1ccccc1-c1ccc(F)c(F)c1 19348585 QOCMYLPWRUJWHV-CQSZACIVSA-N 316.351 2.510 0 40 DFAB C[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)c2cccnc2O1 158716279 BWMXESNQXIXEGJ-SUMWQHHRSA-N 324.380 2.900 0 40 DFAB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1C1CC1 8334191 YQXBXIXZWGRZMW-NQUDRAQSSA-N 313.401 2.642 0 40 DFAB O=C(c1ccccc1C(F)(F)F)N1CCC(n2ccnn2)CC1 155703767 VSDIUWCPXLFZDR-UHFFFAOYSA-N 324.306 2.774 0 40 DFAB Cc1cc(=O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1C 550250657 RPJWUWMXLKHZMX-UHFFFAOYSA-N 310.275 2.965 0 40 DFAB COC(=O)[C@@H](C)NC(=O)Cc1coc2ccc3ccccc3c12 13985218 CHKUPSZQNFMDHE-LLVKDONJSA-N 311.337 2.806 0 40 DFAB Cc1cnc([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH]1 1848352256 XNSCNYQKCLLIOX-CYBMUJFWSA-N 308.385 2.758 0 40 DFAB CC(C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 20889432 KRXHADDUUYSEFL-UHFFFAOYSA-N 315.339 2.841 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)OCc2ccc(F)cc2)cc1 31595733 KNKXGHNGJPGWKG-IZZDOVSWSA-N 313.328 2.942 0 40 DFAB Cc1ccc(OCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nn1 1775995269 KVQIIELQEWHQSB-MRXNPFEDSA-N 315.417 2.759 0 40 DFAB O[C@@]1(COc2ccc(F)cc2)COCCN(C2CCCCC2)C1 2037937577 PKHDNNXXSODJJR-GOSISDBHSA-N 323.408 2.601 0 40 DFAB COc1cccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1 4387079 IXNLGGUNBRGXKN-CQSZACIVSA-N 321.332 2.978 0 40 DFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 5314760 YQQYGOLNWDCYST-UHFFFAOYSA-N 322.411 2.540 0 40 DFAB CCc1nccn1CC1CN(C(=O)c2ccc(C)c(F)c2)C1 1849648012 ULJFKCWCPWGWML-UHFFFAOYSA-N 301.365 2.665 0 40 DFAB CCc1nnc(-c2cn(CC(=O)NC(C)C)c3ccccc23)o1 38488114 JWFQKBUSLONTHA-UHFFFAOYSA-N 312.373 2.778 0 40 DFAB O=C(NCc1nccnc1-c1cccs1)c1cncc(F)c1 575619214 AZTSJRWQNUEBDD-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB COC[C@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 20100403 SUUDIAZVFGCMSM-ZDUSSCGKSA-N 324.852 2.703 0 40 DFAB CN(Cc1nccn1C(F)F)C(=O)c1cc(Cl)ccc1O 31151831 JGMPGXPXGXUTRE-UHFFFAOYSA-N 315.707 2.909 0 40 DFAB O=C(NCc1ccco1)c1ccc(CSc2ncn[nH]2)cc1 40457500 WRVWNSXKZUURIR-UHFFFAOYSA-N 314.370 2.620 0 40 DFAB COC(=O)Cc1csc(NC(=O)Cc2ccccc2Cl)n1 31764863 PJVFNJMEASGHDZ-UHFFFAOYSA-N 324.789 2.693 0 40 DFAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCO1 40535178 OSCYOHLGSOUPQW-MFKMUULPSA-N 312.207 2.675 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCCCc2ccccc21 40548621 UPHQUFYELPPXQV-UKRRQHHQSA-N 300.402 2.518 0 40 DFAB C[C@@H]1C[C@@H]1CNC(=O)CCCc1nc(-c2cccs2)no1 32392755 FGTMBVLBUSTPMY-GHMZBOCLSA-N 305.403 2.893 0 40 DFAB C[n+]1cn(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 307260 MZLSFIMPJKYDCB-AWEZNQCLSA-N 317.796 2.559 0 40 DFAB C=CC(=O)Oc1cccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 358934 IAAKDUGHWAPNAF-GJZGRUSLSA-N 311.337 2.624 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)c1n[nH]c(=O)c2ccccc12 6650117 QHPFQQMSBVPPNT-UHFFFAOYSA-N 319.242 2.593 0 40 DFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 6824244 SELDKLYHTFIZCC-GFCCVEGCSA-N 321.398 2.743 0 40 DFAB Cc1c(Cl)cccc1NC(=S)N1CCC[C@@H](C(N)=O)C1 7578862 FUTLHLOCKZAYGJ-SNVBAGLBSA-N 311.838 2.543 0 40 DFAB Cc1nc(C)c(C(=O)Nc2nnc([C@H]3CCCO3)s2)s1 7995458 CMRFAJQHUCSXMW-MRVPVSSYSA-N 310.404 2.715 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1Cc1ccccc1 32901228 DCBCVMBYWRDQEY-MRXNPFEDSA-N 312.417 2.672 0 40 DFAB CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 532826 NSEZKQFLYNSANK-UHFFFAOYSA-N 322.397 2.981 0 40 DFAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108924783 NLVUYHIOWJDERC-BJDJZHNGSA-N 315.339 2.843 0 40 DFAB Cc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cn1 23039352 XVOWWRIZGCMWHG-UHFFFAOYSA-N 311.385 2.718 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CCCO1 23074591 MBRZSOPCBQEWRV-CQSZACIVSA-N 300.358 2.569 0 40 DFAB CSC(C)(C)CNC(=O)NCCCc1nc(C)cs1 76087290 JEGHUBSBEORFSS-UHFFFAOYSA-N 301.481 2.825 0 40 DFAB Cc1nc2sc([C@H](c3ccc(C)o3)N3CCCC3)c(O)n2n1 23748788 AJUJHEFFOUQJGB-LBPRGKRZSA-N 318.402 2.891 0 40 DFAB Cc1c(C(=O)N(CC(N)=O)C2CCCC2)oc2c(C)cccc12 56015191 WCKVFSXJMPJRFD-UHFFFAOYSA-N 314.385 2.920 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)c1 53303957 CJJNLEYCVXUWRX-STQMWFEESA-N 319.449 2.704 0 40 DFAB COC(=O)c1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)s1 108367558 OUVMWURPELCGPJ-GXTWGEPZSA-N 319.430 2.814 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)C[C@H]1C=CCC1 57755704 XKYYQUKVUSMUGA-NSHDSACASA-N 301.312 2.760 0 40 DFAB NC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1Br 44541249 SMCATDDEGTXKOF-JTQLQIEISA-N 315.186 2.542 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 79018760 VUISDTOLXOUCFB-GWJCSSMESA-N 320.389 2.761 0 40 DFAB O=C(CCNC(=O)c1ccccc1)Nc1cccc2cccnc12 10028792 DNVJTLOWIYIKLN-UHFFFAOYSA-N 319.364 2.993 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1O 3246390 DQEHIUYETHAGGO-UHFFFAOYSA-N 305.374 2.696 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 58230815 XLZJUTXRGXDFCU-DOMZBBRYSA-N 304.390 2.671 0 40 DFAB CCOC(=O)c1c(CN2CCC(CO)CC2)oc2ccccc12 58203420 JLSXRLQHESGRBE-UHFFFAOYSA-N 317.385 2.814 0 40 DFAB CCc1cc2c(=O)n(Cc3nc4ccccc4n3C)cnc2s1 58227523 HBYMNGZFXRJGIR-UHFFFAOYSA-N 324.409 2.955 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1 58355809 WERPQKAYCYXBJI-UHFFFAOYSA-N 309.344 2.870 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2cccc(C)c2)C1 58315433 DJPKXTFBIDOLAQ-MRXNPFEDSA-N 316.445 2.647 0 40 DFAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](O)c1ccccc1 58419720 AZTLNVSILIJKAX-BZNIZROVSA-N 321.323 2.582 0 40 DFAB COc1ccc([C@H]2CCN(C(=O)Nc3cc(C)nn3C)C2)cc1 58415357 YITMWYKRNKEDHP-AWEZNQCLSA-N 314.389 2.759 0 40 DFAB C[C@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2Cl)C1 12600153 ZAUYBPRUCGNWIN-WCQYABFASA-N 301.789 2.951 0 40 DFAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 3302162 YFIPXXVMPBEQAD-UHFFFAOYSA-N 320.751 2.525 0 40 DFAB Cc1ccc(-n2cc(C3=CCN(CC(=O)O)CC3)cn2)cc1C 45795988 LGYRANRIKNQFPZ-UHFFFAOYSA-N 311.385 2.663 0 40 DFAB CC[C@H](C)NC(=O)CCNCc1cc(Br)cs1 37997236 DFZPCJJXYKACQA-VIFPVBQESA-N 319.268 2.905 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(CC2CCCC2)CC1 69490102 ZNIHWBXFIQOZPE-CYBMUJFWSA-N 304.438 2.816 0 40 DFAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nccs2)CC1 13001782 HRPXFLYETFUYQM-UHFFFAOYSA-N 311.407 2.729 0 40 DFAB COc1ccc([C@@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1 13121961 UKXRUPOIAKFFCM-FUHWJXTLSA-N 307.353 2.586 0 40 DFAB C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(N)=O 69535925 VHORGYFQRDONEW-WFASDCNBSA-N 314.410 2.510 0 40 DFAB COC(=O)[C@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccccc1 4053412 YYNUHKZTGQKFKO-IRXDYDNUSA-N 309.365 2.795 0 40 DFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1 69675132 WLLOULRKKLJGNE-UHFFFAOYSA-N 319.386 2.539 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C[C@H](O)c2ccc(F)cc2)c1 69924856 DPXLJWPYHCOMTD-SJORKVTESA-N 303.381 2.529 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cc(-c2ccccc2)on1 14013396 JIHFYKPJRBIFPA-GJZGRUSLSA-N 308.337 2.793 0 40 DFAB Cc1ccc(CNCc2c(C(C)C)nn(C)c2N(C)C)cn1 65566703 VXHDBGBANHALMT-UHFFFAOYSA-N 301.438 2.603 0 40 DFAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1cccs1 14232476 OMQIAMCDDUVVRY-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nccs3)ccc12 6719997 HHNBYQBFDNYHPH-UHFFFAOYSA-N 316.338 2.575 0 40 DFAB biogenic CN(Cc1cccc(O)c1)C(=O)NC[C@@H]1Cc2ccccc2O1 80003165 PPVMLWKPKGLPDX-INIZCTEOSA-N 312.369 2.537 0 40 DFAB CN(C)CCn1cc(NCc2cnc3ccsc3c2)cn1 90184720 KLJJABMXTXIGMC-UHFFFAOYSA-N 301.419 2.667 0 40 DFAB CSCCCNC(=S)NC1CC(C)(C)NC(C)(C)C1 7570376 LZJFKNUJPJLKJN-UHFFFAOYSA-N 303.541 2.513 0 40 DFAB CN1CCc2nc(NC(=O)c3cccc4ncccc34)sc2C1 68376519 QOMWFGYOZIFUIG-UHFFFAOYSA-N 324.409 2.932 0 40 DFAB O=S(=O)(Nc1ncccc1F)c1ccc(F)cc1Cl 97047023 PYXZHYWGKYBHGU-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(n2cccc2)CC1 83888566 MWBUJTMMRGYNEP-RDJZCZTQSA-N 320.433 2.626 0 40 DFAB COCCS(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 72277687 QIOZTBCPEBESKM-QGZVFWFLSA-N 319.426 2.650 0 40 DFAB CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 72294298 FYIWYIAFUZLGOB-OCCSQVGLSA-N 316.401 2.645 0 40 DFAB Cn1c(CN2CC[C@@H](CNc3ccccn3)C2)nc2ccccc21 97200750 IZACWMFQPCWIHA-HNNXBMFYSA-N 321.428 2.902 0 40 DFAB O=C(c1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 84369323 WGWNOBQTZFABRS-INIZCTEOSA-N 310.353 2.984 0 40 DFAB CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1 95458835 QVRABDNBGBIEPU-ZIAGYGMSSA-N 314.385 2.893 0 40 DFAB CCc1nn(C)c(Cl)c1C(=O)N1CCS[C@@H](C(C)C)C1 95453453 JNLBEILLSXYOBI-LLVKDONJSA-N 315.870 2.850 0 40 DFAB FC(F)(F)Cn1ccnc1CNc1cccc2c1OCCO2 95402830 UYHGMDQYPXDQCX-UHFFFAOYSA-N 313.279 2.829 0 40 DFAB C[C@@H](Cn1cncn1)NC(=O)N1CCCC2(CCCCCC2)C1 98014471 IFJIFZFAZMDOPN-HNNXBMFYSA-N 319.453 2.813 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1c1ncnc2sccc12 95980051 PPYXUSRHVAVQDI-GFCCVEGCSA-N 315.402 2.609 0 40 DFAB C[C@H](COc1ccccc1F)NC(=O)N(C)Cc1nccs1 74858494 GGMXFKYAZGZXAH-LLVKDONJSA-N 323.393 2.891 0 40 DFAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCc2ccccc2C1 75125207 DSLYYXWZFIBKOJ-UHFFFAOYSA-N 320.348 2.833 0 40 DFAB O=C(NCC1(CO)CC1)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 89783318 XNWGOIMPDYMZNM-LSDHHAIUSA-N 306.381 2.534 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(C)C 89723674 ZENSJNPBXMNGJO-HNNXBMFYSA-N 301.342 2.874 0 40 DFAB CN1CCN(c2ccc(NC(=O)/C=C\c3ccco3)cc2)CC1 33326372 QRWIYNQYPNVHAH-HJWRWDBZSA-N 311.385 2.683 0 40 DFAB COc1cc(C(=O)N2CCSCC2)nc2c(F)cc(F)cc12 71768888 DVCAISRPKWWYOY-UHFFFAOYSA-N 324.352 2.711 0 40 DFAB C[C@@H](NCC(C)(C)C(N)=O)c1cc(Br)ccc1F 183641075 BXUVBDUAURSVCV-MRVPVSSYSA-N 317.202 2.750 0 40 DFAB C[C@@H](O)C1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 127883648 BABOEJPTIYYPAT-ZWNOBZJWSA-N 322.371 2.910 0 40 DFAB COc1ccc(CCS(=O)(=O)NCc2cc(C)oc2C)cc1 70640441 HBXXZGUWKGFACC-UHFFFAOYSA-N 323.414 2.567 0 40 DFAB CCCCCCNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 217445717 DZIGRXQBTCQEIV-UHFFFAOYSA-N 322.430 2.695 0 40 DFAB CCCn1c(SCCn2cccn2)nnc1-c1ccncc1 60532967 XXWNVNFURWPXHB-UHFFFAOYSA-N 314.418 2.739 0 40 DFAB CC(C)[C@@H](CC1CCCCC1)C(=O)NCCCS(C)(=O)=O 79361631 QHJULZAKQORQSY-OAHLLOKOSA-N 317.495 2.780 0 40 DFAB O=C(Nc1ccc2[nH]cnc2c1)c1ccccc1[C@@H]1CCNC1 72152336 MTVWTAVGEPANMV-GFCCVEGCSA-N 306.369 2.892 0 40 DFAB O=C(NC[C@H]1CC=CCC1)C(=O)Nc1cc(F)ccc1Cl 76601984 NVCOTJMUIAXOFW-JTQLQIEISA-N 310.756 2.890 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72378427 OMVDYNGMGYJMMT-MRXNPFEDSA-N 319.368 2.640 0 40 DFAB CCn1c(SC[C@H]2COC(C)(C)O2)nnc1-c1ccco1 521393760 CJLLNEDAEPHCFF-SNVBAGLBSA-N 309.391 2.802 0 40 DFAB Cn1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c(C2CC2)n1 563197083 ZXMGTZBNIHLERS-INIZCTEOSA-N 310.401 2.916 0 40 DFAB COCc1nc(CNC(=O)[C@@H](C)OC)c(-c2ccccc2)s1 225654592 AXTDJSBZCHRBBN-LLVKDONJSA-N 320.414 2.608 0 40 DFAB CSC[C@](C)(O)CNC(=O)Nc1cccc(C(F)(F)F)c1 75157371 QAPHJOFHBXHKDC-GFCCVEGCSA-N 322.352 2.941 0 40 DFAB O=C(/C=C/c1ccco1)N(CC(F)(F)F)[C@@H]1CCCOC1 87390531 ZWMXSAQNRIUURZ-MVIFTORASA-N 303.280 2.863 0 40 DFAB C[C@H](CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1cccs1 96491664 XDETVPHNFOHWHT-BZPMIXESSA-N 301.477 2.797 0 40 DFAB CCOC(=O)c1nn(C(CC)CC)c(N)c1Br 95094672 GCVNJMYZGJFDBG-UHFFFAOYSA-N 304.188 2.766 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)c2ccsc2)c1 96408211 KHIXYVYJHWITQC-NRFANRHFSA-N 323.439 2.896 0 40 DFAB COc1ccc(C)nc1NC(=O)c1cncc(Br)c1 96445636 PEWRPSOKPAIMOJ-UHFFFAOYSA-N 322.162 2.808 0 40 DFAB O=S1(=O)CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 48609946 GPINUAGHJUAXIR-UHFFFAOYSA-N 312.778 2.531 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 96432448 SSXFEHZQFYVOLK-DZGCQCFKSA-N 304.459 2.676 0 40 DFAB CN1CCC[C@H](CNC(=O)N(CCC(F)(F)F)C2CCC2)C1 96460793 ICZGJNDRAULDKQ-GFCCVEGCSA-N 321.387 2.845 0 40 DFAB Cc1nc([C@@H](C)NC(=O)NCc2nccn2CC(C)C)cs1 96440010 YVRHQFKYHCOWGA-LLVKDONJSA-N 321.450 2.864 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CC[C@]2(CCOC2)C1 96462285 WVXXQEVYRPGELC-KRWDZBQOSA-N 316.332 2.733 0 40 DFAB Cc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)o1 96480032 NXVQRBACPSJVAE-INIZCTEOSA-N 313.353 2.559 0 40 DFAB C[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 96418199 DCINFJDHOUJXTA-ZUZCIYMTSA-N 315.348 2.935 0 40 DFAB c1cc2n(n1)C[C@H](COCC1CC1)CN(Cc1ccoc1)C2 96189087 RXKLMBXKXMPDQY-MRXNPFEDSA-N 301.390 2.535 0 40 DFAB CCOc1ccc([C@@H]2Cn3ncc(C(=O)O)c3N2)cc1Cl 96530323 BMSWXWLKYBHYDK-NSHDSACASA-N 307.737 2.800 0 40 DFAB Fc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 96082318 VVPXTKPUJIKDNF-QZTJIDSGSA-N 304.409 2.511 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257314419 UWWHWDIMXGYRFO-CQSZACIVSA-N 321.384 2.599 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)C3=Cc4ccccc4OC3)C2)n1 257267648 MIFXFGANUJXEHV-OAHLLOKOSA-N 321.380 2.577 0 40 DFAB Cc1ncsc1-c1cc(C(=O)NCCc2ccccn2)ccn1 257241561 HYNSLCLHWZLFMN-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB Cc1csc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)c1 257342957 ZQTLQUFRBUYRME-LBPRGKRZSA-N 317.414 2.671 0 40 DFAB COc1ccc(CN2CC[C@@H](c3[nH]ncc3C)C2)c(OC)c1 257290660 QDVHRKLJNAIYET-CQSZACIVSA-N 301.390 2.725 0 40 DFAB Cc1nc([C@@H]2CCCCN2)nc2c1CCCN2Cc1ccccn1 257305015 SOCLFCPWNYXMDJ-KRWDZBQOSA-N 323.444 2.947 0 40 DFAB O=C(O)[C@H]1C[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 262656044 SSMXOPLBEUPCLC-SJORKVTESA-N 307.349 2.917 0 40 DFAB O=C(CCc1ccccc1F)Nc1ccc2c(c1)C(=O)NCC2 96103676 ZPWVXQGBCLZMMS-UHFFFAOYSA-N 312.344 2.683 0 40 DFAB CCOC(=O)C1(NC(=O)Cc2csc(CC)n2)CCCCC1 56016342 JNNBGKGRGSBTSM-UHFFFAOYSA-N 324.446 2.630 0 40 DFAB CNC(=O)[C@@H]1CCCN(C(=O)c2oc3c(C)cccc3c2C)C1 69818081 LUEIGWRFRDLCGX-CYBMUJFWSA-N 314.385 2.648 0 40 DFAB CCN(Cc1ccccc1)C(=O)[C@@H](C(C)C)N1CCCC1=O 69842662 HYHVNVQMTFYKPH-QGZVFWFLSA-N 302.418 2.682 0 40 DFAB CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](O)C2)n(C(C)(C)C)n1 78648282 SZRKOFNEHNPKBX-GFCCVEGCSA-N 322.453 2.924 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)c1 14094147 MVWRMAAOTSLFGH-NSHDSACASA-N 307.371 2.830 0 40 DFAB Cc1cc(N2CCN(CC(C)C)CC2)cc([C@@H]2CCCN2)n1 19698257 GWOZUDNYYIAUMY-KRWDZBQOSA-N 302.466 2.593 0 40 DFAB CC(=O)c1cc(C(=O)OC[C@H]2CCOc3ccccc32)n(C)c1 155549560 FGILCVZROTYICT-CYBMUJFWSA-N 313.353 2.951 0 40 DFAB CO[C@H]1CN(Cc2cncn2C)CC[C@@H]1Cc1ccccc1F 643913786 HAQSDLYYWLSKAT-QAPCUYQASA-N 317.408 2.639 0 40 DFAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cccn3C)ccn2n1 1848441954 BIRHAXQWDARWDA-OAHLLOKOSA-N 323.400 2.744 0 40 DFAB COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(OC)nc2)c1 32476829 BJBUXAWPXFUOBX-LBPRGKRZSA-N 316.357 2.643 0 40 DFAB COc1cc(C(=O)Nc2c(C)n[nH]c2C)cc(Cl)c1OC 35134541 UJYZMODBVYYECY-UHFFFAOYSA-N 309.753 2.949 0 40 DFAB CCOc1ccc(-n2ccn(CC3CCCC3)c(=O)c2=O)cc1 2086992605 CCTRYDKLDXWNMI-UHFFFAOYSA-N 314.385 2.588 0 40 DFAB CC(=O)N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl 4248228 DMXLILFVJPTARJ-RXMQYKEDSA-N 307.655 2.655 0 40 DFAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C 12514070 GSJKLQPKAFBFEM-NXVVXOECSA-N 318.354 2.591 0 40 DFAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCCCC1)N1CCCCC1 18268217 INICLJIKGCHRBT-IYBDPMFKSA-N 306.450 2.818 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1cc(-c2nnco2)ccc1C 96434844 JMHWVFPIOVBJGY-CYBMUJFWSA-N 316.361 2.688 0 40 DFAB COc1ccc(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 40108231 WVAZBUCFIKNEPL-RHSMWYFYSA-N 305.418 2.949 0 40 DFAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nnsc1Cl 40498002 JNWJQSVVDFTMLM-SCZZXKLOSA-N 322.821 2.559 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c(C)s1 40553742 HSJLAMHYDSPWDH-ZDUSSCGKSA-N 316.430 2.554 0 40 DFAB CN(C)C1CCN(C(C)(C)CNC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101543081 PILJDHBKTVTZCV-ULQDDVLXSA-N 305.510 2.593 0 40 DFAB COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1 2550750 AKILLFQNTLYQHV-UHFFFAOYSA-N 315.354 2.983 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2cncn2)cc1 11610173 PCLLXHLSMURJIU-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@H]1c1ccccn1 69328166 MKFLHJRSCUXTNJ-INIZCTEOSA-N 320.389 2.888 0 40 DFAB C[C@@H](O)CN1CCC(CNCc2cc3ccccc3o2)CC1 69349821 USJAAJPEMBGKHB-CQSZACIVSA-N 302.418 2.615 0 40 DFAB CC(C)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 2624807 LKEYVHYNSKAWCL-UHFFFAOYSA-N 308.337 2.946 0 40 DFAB O=C1O[C@](Cc2ccccc2)(N2CCCC2=O)[C@@H]1c1ccccc1 1623855 DNJDYUUIZCUUIV-QUCCMNQESA-N 321.376 2.888 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc2cccnc12 4012056 KDDJXDDCBGIAAL-MXYBEHONSA-N 308.337 2.696 0 40 DFAB CCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 21713172 RJMUOOATXWNZLA-UHFFFAOYSA-N 300.358 2.690 0 40 DFAB CCOC(=O)CCC(=O)NCc1cc2ccccc2n1CC 4973457 PXVHSLVSKZCFTE-UHFFFAOYSA-N 302.374 2.621 0 40 DFAB COc1ccc2nc(SCC(=O)NCc3ccco3)[nH]c2c1 6586690 OYZMANKCRAOPLK-UHFFFAOYSA-N 317.370 2.573 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1F 7405611 YPJZPSLHSPVNGG-UHFFFAOYSA-N 304.730 2.885 0 40 DFAB CCOC(=O)N[C@@H](C(=O)NCc1ccc(Cl)cc1)C(C)C 32912142 NMFJKNXIGSFCJS-CYBMUJFWSA-N 312.797 2.727 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4)nc3c2)C1 57327222 DGJLDCJPXAUDTD-GFCCVEGCSA-N 322.320 2.932 0 40 DFAB C[C@@](O)(CNC(=O)c1cc2ccccc2[nH]1)c1ccsc1 76092434 AELPCOCVXXWTCR-MRXNPFEDSA-N 300.383 2.867 0 40 DFAB COc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1OC 22614158 LYODKUBUAILELT-UHFFFAOYSA-N 306.343 2.615 0 40 DFAB C[C@H](NC(=O)N1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 54090787 OCKGSCISAISWFR-ZDUSSCGKSA-N 324.446 2.737 0 40 DFAB Cc1ccc(CN2CCCN(C(=O)c3cc(C)no3)CC2)cc1 23243288 IQDWUBLILFQQSY-UHFFFAOYSA-N 313.401 2.640 0 40 DFAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 23233210 IPUSUODKXWCLMV-FUHWJXTLSA-N 324.428 2.979 0 40 DFAB C[C@H](NC(=O)Nc1nccs1)c1ccc(-n2cncn2)cc1 42652202 QCIOEEIVDDUHSG-JTQLQIEISA-N 314.374 2.607 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(O)cc1 77613639 RUJWPRDIGKRDIJ-DLBZAZTESA-N 324.380 2.559 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 54663287 MFFNXJALCPIMIR-CYBMUJFWSA-N 305.403 2.778 0 40 DFAB CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCCCCCC1 54994918 FPMOZJRBBIFCKD-VKAVYKQESA-N 300.402 2.956 0 40 DFAB O=c1[nH]c(CSc2ncc3ccccn23)nc2ccsc12 24851166 RNKYOYPIVZWYEJ-UHFFFAOYSA-N 314.395 2.925 0 40 DFAB O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cccnc1 1353107 QSRNYRCCGDPVLR-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(-c2ccccc2)[nH]n1 24990403 OAZRVJQPTSASMT-CQSZACIVSA-N 321.384 2.618 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 3190794 VJQXXPMEQRIIDJ-UHFFFAOYSA-N 311.341 2.856 0 40 DFAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@]2(CCOC2)C1 108102371 CQMOEPCIQQSSJX-LZLYRXPVSA-N 300.402 2.612 0 40 DFAB O=C(NC[C@@H]1CCOC1)Nc1ccc2oc(C3CC3)nc2c1 44307953 MYRWKEIDBIQOBG-JTQLQIEISA-N 301.346 2.863 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47932015 FFJRIPSHDNTBIP-SECBINFHSA-N 303.387 2.870 0 40 DFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 20671369 WOGDLTPMBURDNE-NSHDSACASA-N 310.332 2.739 0 40 DFAB O[C@@H]1c2ccccc2C[C@H]1Sc1nnc2[nH]c3ccccc3n12 12643548 WFJCAWJZLGZZSG-HUUCEWRRSA-N 322.393 2.961 0 40 DFAB CCN(CC)Cc1ccccc1CNC(=O)c1cccnc1O 10285203 GLCNPLHJCKGVAF-UHFFFAOYSA-N 313.401 2.559 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1cccc(NC(=O)C2CC2)c1 58298593 AJKQHIOLZHLQGD-CYBMUJFWSA-N 316.401 2.534 0 40 DFAB C[C@H](NC(=O)Cc1ccccc1C(=O)O)c1nc2ccccc2[nH]1 44980528 MGPLYGAUELUABC-NSHDSACASA-N 323.352 2.681 0 40 DFAB O=S(=O)(Cc1nc(C2CC2)no1)c1ccc(F)c(Cl)c1 44947371 ZZIRUQIDDMFWHP-UHFFFAOYSA-N 316.741 2.713 0 40 DFAB COC[C@H](C)N(C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C 44970040 LGSUJMNLRUEHOX-NSHDSACASA-N 318.421 2.507 0 40 DFAB c1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)co1 48218362 BVGINWXTMGWZSV-UHFFFAOYSA-N 311.341 2.731 0 40 DFAB CS(=O)(=O)/N=C(\O)[C@H](Oc1ccccc1)c1ccccc1 48486858 IEPXRVKJVKMDHW-CQSZACIVSA-N 305.355 2.723 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N4CCN(C)CC4)c23)C1 3568277 YJTFNGOXPTYBNQ-NSHDSACASA-N 302.447 2.568 0 40 DFAB CC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12976476 GDEQEJMKQWGGSI-UHFFFAOYSA-N 316.188 2.689 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 17125127 LQOHNIYZCXCADE-UHFFFAOYSA-N 324.380 2.726 0 40 DFAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccco2)cc1 48909861 JSKUNEIYLDZDEG-LBPRGKRZSA-N 300.358 2.738 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl 49098825 VTCGNQUHWIPANR-NKWVEPMBSA-N 321.229 2.781 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(=O)n(C)c1 69514352 MOYPRQCGEJUCQP-AWEZNQCLSA-N 320.392 2.900 0 40 DFAB COC(=O)[C@@H](CCSC)NC(=O)Nc1cc(C)cc(C)c1 5351420 DUXNUTPLPKTXCB-CYBMUJFWSA-N 310.419 2.720 0 40 DFAB COc1ccc(CC[C@H](C)NC(=O)NCc2cccnc2)cc1 65615170 XOKUPCRUGJYQHZ-AWEZNQCLSA-N 313.401 2.911 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCC[C@H](n2cccn2)C1 65608641 BEWNKVARIQQRLT-LBPRGKRZSA-N 302.403 2.694 0 40 DFAB Cc1cccc(CCNC(=O)N(C)Cc2c(C)noc2C)c1 65620713 WPESBZFRHWLIFT-UHFFFAOYSA-N 301.390 2.984 0 40 DFAB CC[C@@H]1CCCCN1c1cc(-n2ncc(C(C)=O)c2C)ncn1 5427554 JWGYWKDOUZDIJV-CQSZACIVSA-N 313.405 2.942 0 40 DFAB CCOc1ccccc1C[S@@](=O)[C@H](C)C(=O)NC1CCCC1 69705704 GHTARARHWXACRR-DMZKTXOQSA-N 323.458 2.781 0 40 DFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(C(F)(F)F)c1 5504609 LNQMHGJWFRLAFL-NSHDSACASA-N 314.263 2.506 0 40 DFAB CCCc1nnc2sc(COc3cccc(OC)c3)nn12 6719758 QGDOOCXJSQFUND-UHFFFAOYSA-N 304.375 2.726 0 40 DFAB Cc1cc(-n2cc(C(=O)N3CCCCCC3)nn2)ccc1F 67263112 QUXRTBHONOESRY-UHFFFAOYSA-N 302.353 2.731 0 40 DFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccccc1 7115479 OFJRMFUXHAHMPA-AWEZNQCLSA-N 323.396 2.887 0 40 DFAB COc1cccc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 8747773 CVFOJIQYKSGFKM-UHFFFAOYSA-N 324.380 2.769 0 40 DFAB COc1cccc(CNC(=O)c2cc(OC)ccc2OC)c1 7540587 KYAREVMPAOLYSE-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB O=C(CCNC(=O)c1ccccc1)NCc1ccc(Cl)cc1 7608633 POWPWHFBHIHUOK-UHFFFAOYSA-N 316.788 2.776 0 40 DFAB Cc1ccc(C)c(CN2C(=O)c3ccccc3S2(=O)=O)c1 7605817 FONRJIZZZYNCJB-UHFFFAOYSA-N 301.367 2.648 0 40 DFAB CN1CCCN(C(=O)C2CCCC2)c2nc3ccccc3nc21 8061606 DVDMWOJLNHPYGA-UHFFFAOYSA-N 310.401 2.993 0 40 DFAB COc1ccc(C)cc1CC(=O)NCCc1nc2ccccc2[nH]1 9115536 UFBPVBVKHIOWEP-UHFFFAOYSA-N 323.396 2.781 0 40 DFAB O=C(c1cc[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245566 SOEWBFDRKVNUQJ-KBPBESRZSA-N 324.302 2.982 0 40 DFAB O=C(Cn1cnc2ccsc2c1=O)c1ccc(F)c(F)c1 9364122 GDEVAPUSPRMNQR-UHFFFAOYSA-N 306.293 2.619 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3sccc3C)C2)n1 72235151 SMXNWZOHNQAOPO-CYBMUJFWSA-N 304.419 2.742 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)N(C)[C@@H](C)C3CC3)CC2=O)cc1 71837835 FXPHYOYIYPRERH-YOEHRIQHSA-N 314.429 2.600 0 40 DFAB Cc1cc([C@H](C)C(=O)N2CCn3c(nnc3C(C)C)C2)c(C)o1 71864946 KKDWCTCGYODWAZ-LBPRGKRZSA-N 316.405 2.757 0 40 DFAB COc1ccc(-c2cnc(CN3CCOCC3(C)C)o2)cc1 71831045 XEGOXFMYQXZEPZ-UHFFFAOYSA-N 302.374 2.961 0 40 DFAB NC(=O)CC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 71821022 NKZKHOAZUYIJKW-UHFFFAOYSA-N 319.792 2.549 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1COc2ccccc21 72282043 BKKKODANLBCEIE-ZDUSSCGKSA-N 307.353 2.698 0 40 DFAB O=C(N[C@@H](c1nnn([C@@H]2C=CCCC2)n1)C1CC1)c1ccccc1 71911002 IKUXWTOVLJAWRG-HZPDHXFCSA-N 323.400 2.835 0 40 DFAB COc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 9608065 ZFBXVDSTOIZUED-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1cc2c(F)cccc2s1 97197820 BNDXZEYINFWYRL-SNVBAGLBSA-N 315.373 2.982 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)N1CCCC[C@H]1c1cn[nH]c1 97113238 NZAYNOCHVGNDGT-AWEZNQCLSA-N 312.377 2.836 0 40 DFAB CNC(C)(C)CNC(=O)Nc1ncc(-c2ccccc2)s1 84326117 USYBCHMGMUXEKK-UHFFFAOYSA-N 304.419 2.930 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)c1occc1-c1ccccc1 95427408 TXKAEIAICIDCAG-BXUZGUMPSA-N 305.399 2.789 0 40 DFAB CC(C)COc1ncccc1C(=O)N[C@@H](CO)CC1CCCC1 95456408 GWLBRSHPNLAYAT-OAHLLOKOSA-N 320.433 2.787 0 40 DFAB CC(C)CC(=O)Nc1ccncc1I 95413745 HQIIKJSUXKQZPU-UHFFFAOYSA-N 304.131 2.671 0 40 DFAB O=C1Nc2cc(Br)ccc2[C@H]1CNc1cccnc1 95467808 DNPNMPHKLRDETJ-GFCCVEGCSA-N 318.174 2.992 0 40 DFAB O=C(NCc1ccsc1)NC[C@H]1COC2(CCCCC2)O1 95986780 QVDYZBWJKJDLBC-ZDUSSCGKSA-N 310.419 2.623 0 40 DFAB COc1ccc(CNC(=S)c2ccc3c(c2)OCO3)cc1 408571457 BTMGCFQVWLQFAX-UHFFFAOYSA-N 301.367 2.889 0 40 DFAB CCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc21 408712936 CEWBQJXVRDJJHN-UHFFFAOYSA-N 306.365 2.951 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Cl 408728685 RKHFIQGLZYJCMT-DLTLXFJOSA-N 317.772 2.871 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCCCn1ccnc1)[C@@H](C)C2 182412997 BXXRDWBFHCKCEN-WMLDXEAASA-N 312.417 2.814 0 40 DFAB CN(C)c1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cn1 75161705 VLOAALJTOKUJGJ-UHFFFAOYSA-N 310.279 2.814 0 40 DFAB COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2cccnc2)cc1 36559144 RNTWVMBFLINMBE-HNNXBMFYSA-N 320.352 2.750 0 40 DFAB CC(=O)N1CCCC[C@H]1c1cncc(N2CCC(C)CC2)n1 72366275 ZLWBGCBKCNRVCN-INIZCTEOSA-N 302.422 2.786 0 40 DFAB Cc1cnc([C@H](NC(=O)N2CCC3(CCO3)CC2)C2CC2)s1 558653014 OQKNVHDELPNTGY-CYBMUJFWSA-N 321.446 2.867 0 40 DFAB COc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1F 70640425 NUWBYDKAIHIDQJ-UHFFFAOYSA-N 313.350 2.523 0 40 DFAB O=C(c1ncccc1Cl)N1CCN(c2ccccc2)CC1 72243402 UANTYXQRDCWJRS-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB O=C(O)c1cc2cc(CN3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc2o1 568290534 LQRIYUAZMYOKEC-WMHQRMGPSA-N 311.337 2.516 0 40 DFAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1 225129842 MELMHHNDXUJXFT-UHFFFAOYSA-N 319.426 2.995 0 40 DFAB CSc1c2n(-c3ccc(F)cc3)ncn2c(=O)n1C(C)(C)C 226820535 MWPBVCLLDRYEDY-UHFFFAOYSA-N 320.393 2.903 0 40 DFAB Cc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228936143 RXUORFQYNJASNJ-UHFFFAOYSA-N 308.389 2.803 0 40 DFAB COC(=O)c1cn(S(=O)(=O)c2cccs2)c2ccccc12 222643401 KSWSUWXHWIPKTP-UHFFFAOYSA-N 321.379 2.726 0 40 DFAB O=C(c1ccccc1OC[C@@H]1CCCNC1)N1CCCCC1 44029838 XLUSOCWCALPZPO-OAHLLOKOSA-N 302.418 2.691 0 40 DFAB CCc1noc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122307 HZICWOJCEFRKIC-LBPRGKRZSA-N 306.410 2.854 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Cl)nn2)C1 40434771 DFHWCEHEMZTIJI-JTQLQIEISA-N 312.801 2.941 0 40 DFAB O=C(NCCN1CCCCC1)c1ccc2nc(Cl)oc2c1 225975596 VYXBFNVHPXSRBG-UHFFFAOYSA-N 307.781 2.697 0 40 DFAB O=c1oc(-c2cccs2)nn1Cc1nc2cc(F)ccc2o1 96465907 LYEIULHLZUJFPS-UHFFFAOYSA-N 317.301 2.893 0 40 DFAB Cn1c(CCCNC(=O)CC[C@H]2CCCO2)nc2ccccc21 96411675 ADHITKDSUKFBHV-CQSZACIVSA-N 315.417 2.581 0 40 DFAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CCN1CCCC1=O 96432989 IBEZDCTYPUHPDV-MRXNPFEDSA-N 320.408 2.522 0 40 DFAB COc1ccc(NC(=O)N(C)CCO)cc1Cc1ccccc1 96411830 VKHFPQLKGSBWMY-UHFFFAOYSA-N 314.385 2.742 0 40 DFAB COc1ccc(Cn2nc(C)cc2NC(=O)[C@@H](C)SC)cc1 96423136 AIRNMBNBLPMNBT-GFCCVEGCSA-N 319.430 2.938 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC 95533858 CBCQOZDWBBUXQT-MRXNPFEDSA-N 324.384 2.845 0 40 DFAB CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1Cl 96424060 YANPMFTUKRNYDB-LLVKDONJSA-N 316.188 2.736 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1cccc(F)c1 96120737 HSKUNCVYFCUQHR-UHFFFAOYSA-N 303.341 2.943 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21 96060384 XANRNCSWJYFNTD-AWEZNQCLSA-N 303.381 2.695 0 40 DFAB CCO[C@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C)C12CCCC2 96419706 AOWNTQQEJIHVSO-CABCVRRESA-N 318.465 2.862 0 40 DFAB O=C(NCc1cccnc1)[C@H]1CCCN1c1nc2ccccc2o1 253472803 PKWXAGVETVTTCF-OAHLLOKOSA-N 322.368 2.508 0 40 DFAB O=C(c1ccncc1)N1CCC[C@H](c2cccc3nccn23)C1 257238185 HJXYAZJKDPRUCN-HNNXBMFYSA-N 306.369 2.749 0 40 DFAB CC(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2[C@@H](C)c1ccccc1 585109012 NSOGYEHYBXMNNN-BPUTZDHNSA-N 316.401 2.968 0 40 DFAB CN1C[C@H](COCC2CC2)C2(CCN(Cc3ccco3)CC2)C1 585102683 ATVYODXKUIESDE-QGZVFWFLSA-N 318.461 2.850 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)no1 44891794 UZHCMCKCESRXOR-ZDUSSCGKSA-N 306.341 2.547 0 40 DFAB O=C(Nc1nncs1)N1CCC(CN2CCCCCC2)CC1 47497702 JBBAUFFVMZKVAE-UHFFFAOYSA-N 323.466 2.658 0 40 DFAB CC[C@H](C)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C 55598356 WZUIPDXGZIOCBB-ZFWWWQNUSA-N 320.433 2.767 0 40 DFAB CC(C)N(C[C@H](C)O)C(=O)Nc1nc(-c2cccnc2)cs1 78644454 NJWXFRODPFZMDV-NSHDSACASA-N 320.418 2.828 0 40 DFAB COCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159105 SXOBCWYJKJXFTP-CJNGLKHVSA-N 320.408 2.678 0 40 DFAB CC(C)c1ccc(Cc2nnc(N3CCCCC3)[nH]c2=O)cc1 5154638 BBTMKIWVKXLDQU-UHFFFAOYSA-N 312.417 2.869 0 40 DFAB CC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1ccccc12 13915718 UBZZELJZQKZTOC-JZXOWHBKSA-N 324.405 2.656 0 40 DFAB CC(=O)N1CCC(CC(=O)N(C)C[C@@H](C)c2ccccc2)CC1 19745396 SUULMYSMMPOBBL-OAHLLOKOSA-N 316.445 2.897 0 40 DFAB Cc1ncc(CN2CCC(CC(=O)N3CCCC3)CC2)s1 19748410 GDMUYJYXUUHXCW-UHFFFAOYSA-N 307.463 2.676 0 40 DFAB COc1ccc([C@@H]2CCCCN(C(=O)[C@@H]3CCOC3)C2)cc1 208004599 XAMYNGBRIYFDDU-HZPDHXFCSA-N 303.402 2.828 0 40 DFAB O=C(CCCSc1nc2ccccc2[nH]1)NC1=NCCS1 2626249 KUBNORCSDYJTGA-UHFFFAOYSA-N 320.443 2.654 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(CCc3ccccc3)C2)nc1 1889128485 SNTGINRJRKYMSP-GOSISDBHSA-N 310.445 2.928 0 40 DFAB O=C(NCCc1ccc(-c2cccs2)s1)N1CCNC1=O 1889151928 JYNQVLNYHPCQFZ-UHFFFAOYSA-N 321.427 2.754 0 40 DFAB CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832083 MGMHBVNXNFNUHH-NSHDSACASA-N 301.217 2.951 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)C3(F)CCC3)C[C@H]21 1565544332 INMURMSLVUPSOM-AAEUAGOBSA-N 303.381 2.590 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC(=O)N2 9134398 VWUJJJNKCUYAJM-UHFFFAOYSA-N 310.353 2.897 0 40 DFAB COc1cccc(C(=O)Nc2c(C)nc3cc(C)ccn3c2=O)c1 9617178 AJUMRKYSEUZBGT-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB O=C(Nc1nnc2n1CCS2)c1cc(Cl)ccc1Cl 10609765 SHEJLLHHQWDHEL-UHFFFAOYSA-N 315.185 2.943 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 13011094 HKMGRNBHZHOYIE-HNNXBMFYSA-N 304.415 2.789 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1Cc2ccccc2S1 10432498 ISARQBUUDOHWKT-INIZCTEOSA-N 323.421 2.939 0 40 DFAB CCCc1cc(C(=O)N(C)Cc2nnc3n2CCC3)sc1C 40523021 NYKPENOMTGROGB-UHFFFAOYSA-N 318.446 2.819 0 40 DFAB NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 58515 NBTRTDRPWIOOKJ-QGZVFWFLSA-N 312.394 2.560 0 40 DFAB Cc1nn(CCO)c(C)c1CNCC(C)(C)c1ccc(F)cc1 71799222 KGOBMBASXDCKGJ-UHFFFAOYSA-N 319.424 2.699 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 292522 RUJCMXAIGHIUEZ-UHFFFAOYSA-N 315.398 2.966 0 40 DFAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCCC1 2643346 CWCSKGHDKJWKKG-UHFFFAOYSA-N 324.380 2.940 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nncs1 21214661 IYZCUENGVCAORJ-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCC1 3333838 KJGJZROJTGUPNS-UHFFFAOYSA-N 304.390 2.672 0 40 DFAB COc1ccccc1NC(=O)C(=O)NCCC1CCCCC1 8169276 BIMYYAJFTRXSLJ-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB CC[C@H]1CN(C(=O)c2nc(-c3cccs3)oc2C)CCO1 46764283 FBBHWAZPFFVZAQ-NSHDSACASA-N 306.387 2.963 0 40 DFAB C[C@@H](OCCCNc1ncnc2c1cnn2C)c1ccccc1 22019722 OZIHTMPDMONTGE-CYBMUJFWSA-N 311.389 2.943 0 40 DFAB C[C@H](CNC(=O)Nc1ccccn1)N1CCc2sccc2C1 47010035 UBDOISVYPYKGMY-GFCCVEGCSA-N 316.430 2.711 0 40 DFAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)C[C@H]2CCCO2)cc1 47107841 ONVLPEYFPIROPC-IUODEOHRSA-N 304.390 2.781 0 40 DFAB CC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 76021805 UZCAAILBCKYHDJ-WCQYABFASA-N 308.809 2.998 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(Cl)ccn1 23042209 COHCKSVYCXJIFH-UHFFFAOYSA-N 324.789 2.699 0 40 DFAB COc1cccc(-c2n[nH]cc2CNC[C@H]2CCCOC2)c1 54181333 VPMKTMUAAPQPTF-CYBMUJFWSA-N 301.390 2.602 0 40 DFAB Cc1noc(C)c1CCc1nc(-c2ccc3c(c2)OCO3)no1 12409345 DIMIAWSJCYTOSE-UHFFFAOYSA-N 313.313 2.855 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)n1 54674194 QHULNUGTZGVSGS-ZDUSSCGKSA-N 303.362 2.916 0 40 DFAB O=S1(=O)CC[C@H](NC(c2ccccc2)c2ccccc2)C1 21014858 UZHUGMUQKYAXFP-INIZCTEOSA-N 301.411 2.553 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccccc1F)c1ccccc1 3259254 RWEGKIBXXQEMST-GFCCVEGCSA-N 301.317 2.860 0 40 DFAB COC(=O)[C@H]1CC(=O)N(C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)C1 103545050 WGNIVJQKVYYUOZ-HSVSBIDGSA-N 305.418 2.757 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 44912998 DWCZXQZYUCKRSS-YGRLFVJLSA-N 316.332 2.592 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 48234558 RWUSBCUJMYHXPV-JTQLQIEISA-N 305.765 2.591 0 40 DFAB COc1ccc(CCNC(=O)[C@@H](C)Nc2ccc(F)cc2)cc1 28907142 DXUVWZLVDDOLCX-CYBMUJFWSA-N 316.376 2.994 0 40 DFAB COC(=O)c1cc(CNC(=O)c2ccccc2C)ccc1OC 18060791 AETDTSOEKIBYSP-UHFFFAOYSA-N 313.353 2.720 0 40 DFAB CC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 26522370 FZNLBIAMBZNQCD-UHFFFAOYSA-N 303.383 2.855 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@H]2CC=CCC2)cc1 13189486 GPKQYBYZTAEILL-DZGCQCFKSA-N 303.358 2.684 0 40 DFAB O=C(O[C@H]1CCOC1=O)c1ccc(COc2ccccc2)cc1 8733934 FUBRZQLLDUXFAX-INIZCTEOSA-N 312.321 2.738 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)cc1O 8728066 MNRXVWMYUXZZJG-CYBMUJFWSA-N 313.353 2.562 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccncc2)C1 65565085 XPXGPYAJEPGMSC-CQSZACIVSA-N 324.384 2.964 0 40 DFAB Oc1cccc(N2CCN(C(=S)Nc3ccccc3)CC2)c1 6402916 ORFHUWCOJWSTFS-UHFFFAOYSA-N 313.426 2.911 0 40 DFAB COc1nc(OCC(F)(F)F)nc(N(C)c2ccccc2)n1 4575172 HGKUNYPNZWEPLG-UHFFFAOYSA-N 314.267 2.589 0 40 DFAB CCc1nc(CCNC(=O)c2cnc3ccccc3n2)cs1 71186136 MVODLCUAFPWSSB-UHFFFAOYSA-N 312.398 2.621 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)OCCO2 5622359 MCLFGEHXMKWTDM-LLVKDONJSA-N 316.382 2.972 0 40 DFAB CCCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 6940855 PDZIQDVQWFUIHI-KRWDZBQOSA-N 319.449 2.931 0 40 DFAB CCOC(=O)[C@@H](Nc1cccc(C(=O)NC)c1)c1ccccc1 67472120 WZXMLQRNSBUXTN-INIZCTEOSA-N 312.369 2.763 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 93809322 BLHUPBZHHQIGND-CQSZACIVSA-N 319.424 2.513 0 40 DFAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccnc1OC 80995411 OAKSSTYOLURQKC-CYBMUJFWSA-N 314.385 2.802 0 40 DFAB CCc1cc(=O)[nH]c(-c2ccc(N3Cc4ccccc4C3)nc2)n1 68702246 YPPRPKAIZLLGTN-UHFFFAOYSA-N 318.380 2.915 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736596 ICDHRHPWFCIFDD-JTQLQIEISA-N 304.321 2.823 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)Nc1onc2c1CCCC2 9306376 FDDAJLDJKJHEOT-LLVKDONJSA-N 316.357 2.968 0 40 DFAB CC(C)(C)c1nc(CN2CCC[C@@H](c3ccncn3)C2)no1 70038533 IULACAIEAIRALN-GFCCVEGCSA-N 301.394 2.537 0 40 DFAB CCCn1nnnc1C[S@](=O)Cc1cccc2ccccc12 69350689 HASRFRZXUYQFCO-QFIPXVFZSA-N 314.414 2.685 0 40 DFAB O=C([C@H]1CCOC1)N(Cc1cccc(Br)c1)C1CC1 69343001 QSNRXOURSIMSNU-LBPRGKRZSA-N 324.218 2.977 0 40 DFAB Cc1cccc(N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)c1C 8338418 BOUQRVDBKRQUJK-MRXNPFEDSA-N 317.477 2.729 0 40 DFAB c1cnnc(N2CCC[C@@H]2CNc2ncnc3ccsc23)c1 71859472 DZZLFHDPIMCCDY-LLVKDONJSA-N 312.402 2.562 0 40 DFAB CC(=O)c1ccc(OCC(=O)NCc2cccs2)cc1F 71879366 BJCUXDMASJYLLW-UHFFFAOYSA-N 307.346 2.785 0 40 DFAB Cc1cccc(-c2nc(CN3CCC[C@H]3Cn3cccn3)no2)c1 71878608 WVNUIDVXTLMLIM-INIZCTEOSA-N 323.400 2.906 0 40 DFAB COc1ccc(CCC(=O)Nc2cnccc2C)cc1OC 71847610 GTQTWPVXAJEMFQ-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 71830768 VBCLEQZMFGTIMD-HLLBOEOZSA-N 301.434 2.867 0 40 DFAB CSc1ccc(N(C)CC(=O)Nc2cc(C)nn2C)cc1 71903244 FQKLWRSIBBSBBA-UHFFFAOYSA-N 304.419 2.525 0 40 DFAB CCCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H](CC)c1ccccc1 71903378 VBQDUSHUNPIISS-HIFRSBDPSA-N 311.447 2.809 0 40 DFAB Cc1ccc(C2(C(=O)N3CCC[C@H](N(C)C)CC3)CC2)cc1 72174256 BDSDMAAQCZMGIF-KRWDZBQOSA-N 300.446 2.969 0 40 DFAB CNC(=O)c1ccc(OC)c(NCc2cccc(OC)c2)c1 79172100 IJMZOWFVNQLMGK-UHFFFAOYSA-N 300.358 2.676 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)CCC1CCCC1)C2 72279536 YQQQJWHHAOHAPP-UHFFFAOYSA-N 302.422 2.764 0 40 DFAB COc1c([C@@H]2CCCN2Cc2cnc(C)s2)c(C)nn1C 72253787 UXRLYAJGIKUGGI-ZDUSSCGKSA-N 306.435 2.839 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)CCc1ccsc1 97143870 MGURDXAYQFCPEI-OAHLLOKOSA-N 304.415 2.619 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC(c2ccn[nH]2)CC1 97140681 FNZNTURWHACNGZ-UHFFFAOYSA-N 314.389 2.754 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)Cc1ccoc1 97163685 UWGWBEOOULTNEL-KBPBESRZSA-N 322.405 2.774 0 40 DFAB COc1ccc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)cc1Cl 84714792 QMYFJSLMRNROMA-NHYWBVRUSA-N 310.825 2.695 0 40 DFAB NC(=O)c1ccccc1N1CC[C@H](Nc2ccc(Cl)cn2)C1 95403370 WSUBMWICQIVYMG-LBPRGKRZSA-N 316.792 2.525 0 40 DFAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(C)C[C@@H]1CCOC1 95408139 QMLNMPNFLZZNGL-CVEARBPZSA-N 320.433 2.749 0 40 DFAB CCO[C@@H](C)c1nc(Cn2c(=O)oc3cccnc32)cs1 85264602 MMUHMLJCRSIPJA-VIFPVBQESA-N 305.359 2.592 0 40 DFAB COc1ccnc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1 85490229 JJXUIKTVBGGANW-HNNXBMFYSA-N 324.380 2.968 0 40 DFAB O=S(=O)(NCC1(C2CC2)CCC1)c1cncc(Cl)c1 95974271 ZMYWTYHMLWGSIV-UHFFFAOYSA-N 300.811 2.594 0 40 DFAB O=C(Nc1cccc(F)c1)C1CCN([C@H]2CCCC[C@@H]2O)CC1 95975621 ZBLQRQDTJIKXBF-IRXDYDNUSA-N 320.408 2.780 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N(C)[C@H]1CCSC1 95975316 BZVFRCYMPOUCRW-ZDUSSCGKSA-N 320.462 2.959 0 40 DFAB OCc1nc(NCc2ccc3c(c2)OCCO3)ccc1Cl 95990301 QRGBYCNXWIECHE-UHFFFAOYSA-N 306.749 2.611 0 40 DFAB C[C@@H](c1ccc2ccccc2c1)N1CC(OCC(=O)N(C)C)C1 75093972 BOLBEEYLLWJAKB-AWEZNQCLSA-N 312.413 2.690 0 40 DFAB COc1ccccc1[C@@H](NC(=O)c1ncoc1C)c1ccccn1 89849218 XBPHVKHRPRGRSI-QGZVFWFLSA-N 323.352 2.906 0 40 DFAB Cn1ccs/c1=N/C(=O)CCC(=O)c1ccc2c(c1)CCC2 30992560 PMNMMDKZOMDJJC-ISLYRVAYSA-N 314.410 2.666 0 40 DFAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCOC1 72346635 RDUCIZOZOQUWPT-HIFRSBDPSA-N 301.386 2.976 0 40 DFAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1cccs1 36699883 SNVDANOEENQYJV-HNNXBMFYSA-N 316.426 2.551 0 40 DFAB C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC[C@@H]2CCCO2)C1=O 188962752 IQFUAHCJYFVNGP-BBRMVZONSA-N 322.792 2.676 0 40 DFAB CC(C)CN1CCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216525 BZBXJFATXIPELZ-QGZVFWFLSA-N 302.466 2.626 0 40 DFAB COC(=O)NCCC(=O)NC(c1cccs1)c1cccs1 78189000 FHVZJOXBHZMMSH-UHFFFAOYSA-N 324.427 2.761 0 40 DFAB Cc1cc([C@H](C)NC[C@]2(O)CCOC2)ccc1Br 225561643 ZOIDKQZSSVTBBK-SMDDNHRTSA-N 314.223 2.560 0 40 DFAB O=C(O)[C@H]1CC(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 40449015 NITBULCGQQKAOW-DZGCQCFKSA-N 301.367 2.923 0 40 DFAB Cn1nc2c(c1CNC(=O)NCc1ccc(Cl)cc1)CCC2 225818724 KRGWNQMWUHOUCY-UHFFFAOYSA-N 318.808 2.562 0 40 DFAB COc1ccc(CNCC(=O)OCc2ccccc2)c(OC)c1 199811962 VAALGBZYUQQFRU-UHFFFAOYSA-N 315.369 2.537 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NC[C@@H](O)c1cccs1 96415538 SJHLYVVEERZNAD-SMDDNHRTSA-N 322.405 2.851 0 40 DFAB CCO[C@@H]1COC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 96158758 DCYLYODKCDZDQW-INIZCTEOSA-N 321.392 2.555 0 40 DFAB CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)CC12CCOCC2 96052092 WZCUQMQYDXPKGR-OAHLLOKOSA-N 322.474 2.501 0 40 DFAB O=C(Nc1ccc(COc2ccccc2)cc1)N1CC[C@H](O)C1 91203731 SZHGUIVOSXLZLA-INIZCTEOSA-N 312.369 2.864 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)NCCNc2ccccn2)cc1 96435995 JXVINPYGWNFLFD-UHFFFAOYSA-N 322.368 2.887 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)C3(N)CCCC3)C2)n1 97019882 KAIWTLOMWCFTKX-GFCCVEGCSA-N 307.463 2.683 0 40 DFAB CN(C[C@H]1CCOC1)C(=O)N[C@@H](c1ccccn1)C1CCCC1 96455150 OVWALURMCUPJHV-RHSMWYFYSA-N 317.433 2.991 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(Cc2ccccn2)C3)cs1 96202527 KJMWNJAIJOGRRT-UHFFFAOYSA-N 314.458 2.554 0 40 DFAB CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](C)n1cncn1 248712732 BNQGKDQOAKMXPR-JLJPHGGASA-N 312.417 2.915 0 40 DFAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4cnccn4)C[C@@H]3C2)cc1 257292645 QMKNJSNKSYUZII-DZFIZOCASA-N 309.413 2.904 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)cn1 390835720 VZLYZJPXGOQWBP-UHFFFAOYSA-N 307.353 2.721 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cnco2)C[C@H]1Cc1ccccc1F 585275187 ZJTOZXLBQYCLLG-UKRRQHHQSA-N 318.348 2.534 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@H]3CCC[C@H]32)n1 50121140 ZCKIJLNHAZPROY-NEPJUHHUSA-N 309.797 2.647 0 40 DFAB CCCS(=O)(=O)N(C)Cc1c(F)cccc1Br 92896420 QRGBYFBWTSZUTM-UHFFFAOYSA-N 324.215 2.760 0 40 DFAB O=C(N=[S@](=O)(c1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F 114748660 SBZSIIWCGJHCQN-NRFANRHFSA-N 322.264 2.673 0 40 DFAB CN1C(=O)[C@@H](C(=O)O)[C@H]2C[C@]1(c1ccccc1)Oc1ccccc12 5319706 DVGVIPQIDVPUIW-URLQWDBASA-N 323.348 2.579 0 40 DFAB CCn1cc([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c(C)n1 5658955 JKTBTDPFGHMFMG-KRWDZBQOSA-N 310.401 2.936 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)N(C)CCOc1ccccc1F 16422790 CWZSJZABUXWMJK-AWEZNQCLSA-N 322.424 2.974 0 40 DFAB COc1cc(Br)ccc1CNc1nc(C)nn1C 162470438 YOCQTOZKTQOANG-UHFFFAOYSA-N 311.183 2.507 0 40 DFAB CCc1ccc(S(=O)(=O)NC[C@H](OC)c2ccco2)s1 206863979 DSLVGVKSUOKGHK-LBPRGKRZSA-N 315.416 2.570 0 40 DFAB COc1cc(N(C)C(=O)CC(F)(F)F)cc(OC)c1OC 152047541 YMYWOLYAAZSXRN-UHFFFAOYSA-N 307.268 2.628 0 40 DFAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 575605926 IBRZZTIOJDBKHJ-MRXNPFEDSA-N 322.836 2.571 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@H](c2nc(C3CC3)no2)C1 1889089473 HGUHFCJDLUXYGU-CYBMUJFWSA-N 302.378 2.931 0 40 DFAB CCc1cc2c(=O)n(Cc3nnsc3Cl)cnc2s1 27113671 FKNRZIIFCHFHDC-UHFFFAOYSA-N 312.807 2.574 0 40 DFAB CN(C)[C@@H]1CCOC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)C1 1565545399 HOYULJOBKPCXIY-SJLPKXTDSA-N 320.477 2.835 0 40 DFAB CCOCc1cn(CC(=O)c2ccc(Cl)cc2)c(C)nc1=N 4176103 PQWAJFSEMTXTJV-UHFFFAOYSA-N 319.792 2.744 0 40 DFAB Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 8924513 DJCFQUBQYCMWPG-HNNXBMFYSA-N 308.381 2.778 0 40 DFAB CCn1c(C)nnc1SCCCOc1cccc(C(=O)O)c1 15422838 RFQLZYAUBGPABW-UHFFFAOYSA-N 321.402 2.866 0 40 DFAB O=C(NC[C@H](O)c1ccoc1)c1ccccc1Br 75171740 XQMINRHSWBIKKX-LBPRGKRZSA-N 310.147 2.506 0 40 DFAB Cc1ccc(-c2noc(CN3C[C@@H](C)OC[C@@H]3C)n2)cc1F 40071837 RMOVUSIIYRRAED-NWDGAFQWSA-N 305.353 2.793 0 40 DFAB CN(Cc1ccc(F)cc1F)C(=O)CN1CCCCCCC1=O 40120716 QILVKSLOUMOQMZ-UHFFFAOYSA-N 324.371 2.716 0 40 DFAB COc1cc(C(=O)NC2CC2)ccc1OCc1cscn1 30553927 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CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C2CC2)no1 76046930 RFBIWKKPDCOYQT-MFKMUULPSA-N 301.394 2.892 0 40 DFAB COCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 22510011 JEOGTJDQDNBXEH-UHFFFAOYSA-N 312.369 2.787 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](c2cc(O)n3nccc3n2)C1 101928726 SOWNZMVKUDOWGC-NSHDSACASA-N 318.377 2.549 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)C1 53974425 ZNZXCOYYOJPILL-RYUDHWBXSA-N 310.419 2.794 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCS[C@@H](C)[C@@H]1C 76017252 BRZRBVUVAYPXET-GAFUQQFSSA-N 310.467 2.633 0 40 DFAB CCOC(=O)C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 42665721 CVUOSZUMVDTHQS-HNNXBMFYSA-N 311.809 2.649 0 40 DFAB Cc1nnc2ccc(NCC3(c4ccccc4)CCOCC3)nn12 77304521 RSRBWKBLFJMIGK-UHFFFAOYSA-N 323.400 2.593 0 40 DFAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C 1361163 ZXBAUUNVRWQHDP-UHFFFAOYSA-N 322.434 2.873 0 40 DFAB O=C(CN1CCC[C@@H]1C1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 106752967 CARMCNYUZHDJQT-KZNAEPCWSA-N 320.477 2.811 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2Cc3ccccc3O2)c1C 43772546 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Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)noc2C(C)C)c1 70036637 DKOVGYOEPMSCBR-AWEZNQCLSA-N 316.405 2.916 0 40 DFAB NC(=O)c1csc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 72293700 AYLOVFBWKAQALV-VXGBXAGGSA-N 320.801 2.786 0 40 DFAB CCC(CC)[C@H](O)CNC(=O)NCc1cc(F)ccc1F 78645558 SXYFRAKTVKFBSB-CQSZACIVSA-N 300.349 2.561 0 40 DFAB c1cnn(-c2ccc(CN3CCCC[C@H]3Cn3cncn3)cc2)c1 71878685 DCJCSBDUANQFLG-SFHVURJKSA-N 322.416 2.519 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 9606258 AWPXTSDRPHJKLC-ZHACJKMWSA-N 317.366 2.886 0 40 DFAB CC1(C)C[C@@H](NCC(=O)Nc2cc(F)ccc2F)C(C)(C)O1 97100406 LSBJKTBXWPBXKH-CYBMUJFWSA-N 312.360 2.839 0 40 DFAB CCOCCCOC(=O)c1ccc(-c2cccs2)[nH]c1=O 78815037 YKJUQEVHZMKBEJ-UHFFFAOYSA-N 307.371 2.687 0 40 DFAB Cc1ccsc1CNC(=O)Cn1c(=O)sc2ccccc21 78967239 CPADHLRJVVTULL-UHFFFAOYSA-N 318.423 2.749 0 40 DFAB Clc1cc2c(cc1NCc1cn3cccnc3n1)OCCO2 79074858 UNQYJKZQFQUWSU-UHFFFAOYSA-N 316.748 2.766 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCN1CCn2c(nnc2C2CC2)C1 84691978 GDVYWUNWEPQMDG-UKRRQHHQSA-N 304.438 2.566 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc3ncccc3c2)[C@@H](C)C1 84718256 IKQSTBDIYYPOTJ-YOEHRIQHSA-N 311.429 2.971 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)C2CCOCC2)c1C 95402890 IQYVSPQEPBFECM-KRWDZBQOSA-N 323.458 2.949 0 40 DFAB O=S(=O)(Cc1cccc(NCCCO)c1)C1CCCCC1 95411995 AWEQNZWSNAOYQF-UHFFFAOYSA-N 311.447 2.728 0 40 DFAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1CO 74907518 RNDQKTVQKKSALZ-HZPDHXFCSA-N 308.397 2.559 0 40 DFAB O=C(Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 32869227 BPMBFVHQMDZHEA-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCn1ccnc1 30851755 UTIXOQMQFAWUGV-OAHLLOKOSA-N 301.390 2.555 0 40 DFAB CC[C@@H]1CN(CC(=O)c2ccc(Br)cc2)CCO1 31624157 JEYPDMDXMUDFDY-CYBMUJFWSA-N 312.207 2.743 0 40 DFAB COc1cc(OC)c(NC(=O)Cn2cccc2C=O)cc1Cl 72331898 IVXJBQWNYMIZFR-UHFFFAOYSA-N 322.748 2.610 0 40 DFAB O=C1C(c2nc3ccccc3[nH]2)=C(O)CN1Cc1ccccc1 217426200 LEZUMMOUHPBZJR-UHFFFAOYSA-N 305.337 2.874 0 40 DFAB CCC[C@H](N)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 182518904 XOCVICUQYYPUGB-RDJZCZTQSA-N 309.498 2.617 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 79349330 YKFDEQFOLPBXHC-WBVHZDCISA-N 302.422 2.804 0 40 DFAB COCCC1(NC(=S)Nc2ccc(OC)nc2)CCCC1 225875010 KZFIAQBGFPCTJY-UHFFFAOYSA-N 309.435 2.726 0 40 DFAB COc1ccc(N(C)C(=O)c2cc(Cl)cc(F)c2N)cn1 225557458 NBUHAIHJUZYHPQ-UHFFFAOYSA-N 309.728 2.742 0 40 DFAB C[C@H](CNC(=O)CCc1ccccn1)Oc1ccc(F)cc1 80760892 YIGJPAQSYNBQQV-CYBMUJFWSA-N 302.349 2.737 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1cccnc1 226851526 METJPUDTKVVIEZ-CQSZACIVSA-N 322.368 2.982 0 40 DFAB Cc1nc(Cc2ccc(Br)cc2)ncc1C(=O)O 43557932 WFKKMMQEVWLBIB-UHFFFAOYSA-N 307.147 2.837 0 40 DFAB CSc1ccccc1NC(=O)c1ccc(-n2cccn2)nn1 75163885 JDLWCMKDMAZOKE-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1sccc1CC)CC2 95400587 IESXXSNZWXMFLQ-KBPBESRZSA-N 323.458 2.703 0 40 DFAB Cc1ccc(-c2n[nH]cc2CN2CCS[C@@H]3COCC[C@@H]32)o1 91855781 IWHYDJZQOGBHTM-DZGCQCFKSA-N 319.430 2.684 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 96053860 KJYZSHXHWVKISW-HUUCEWRRSA-N 317.433 2.846 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)Nc2ccnn2C(C)C)C12CCC2 96433788 NROAOZVLTMEUMU-STQMWFEESA-N 306.410 2.933 0 40 DFAB C[C@]1(CNC(=O)N[C@H]2CCc3c(O)cccc32)CCCS1 96467213 KVNMDXOLRIBPMD-XJKSGUPXSA-N 306.431 2.964 0 40 DFAB Cc1cnn(CCCNC(=O)[C@H](C)OC2CCCCCC2)c1 95415052 SQLGNSLFVJJWFM-HNNXBMFYSA-N 307.438 2.826 0 40 DFAB C[C@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)n1ccnc1 579362853 VBWAIWAHNKQBJF-QAPCUYQASA-N 313.401 2.608 0 40 DFAB COc1ncc(NC(=O)c2ccc(F)cc2Cl)c(OC)n1 96098711 CXSLAQSARBYABP-UHFFFAOYSA-N 311.700 2.539 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2 95348555 HOUPTSRGTWVQAW-MLGOLLRUSA-N 311.385 2.501 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1C(C)C 96208616 VOFJOAKQNDGCQB-KRWDZBQOSA-N 320.477 2.691 0 40 DFAB O[C@@H](CN[C@@H]1CC2(CCC2)Oc2ccccc21)COCC1CC1 95421432 CXHSTUPKPAAPRQ-DOTOQJQBSA-N 317.429 2.810 0 40 DFAB O=C(NCC(F)F)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 96490524 IXTHBQJJAPYFRY-JQWIXIFHSA-N 304.724 2.734 0 40 DFAB C[C@H](C(=O)Nc1nccs1)N1C(=O)CCCc2ccccc21 252482443 DFKGXPQUWXAYLI-LLVKDONJSA-N 315.398 2.840 0 40 DFAB CC(C)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257262964 LNUMHVVHBQLWKZ-LLVKDONJSA-N 318.446 2.591 0 40 DFAB CCCn1cc(CN2CCC(c3ccnc4ccnn34)CC2)cn1 257274876 NMZBYWORIFCGKX-UHFFFAOYSA-N 324.432 2.715 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@H](Cc4ccn[nH]4)C3)c2n1 257344595 ZXYKVVCPIBNZQL-OAHLLOKOSA-N 324.432 2.524 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)on1 53402323 AFBSONJQUUNAII-LBPRGKRZSA-N 318.377 2.786 0 40 DFAB Ic1cccc(NC[C@@H]2CCOC2)c1 34957753 VXXOUQCZBPRIAT-VIFPVBQESA-N 303.143 2.740 0 40 DFAB CC(C)N1CCC(c2nccnc2N[C@@H]2CCCOC2)CC1 72365363 MQOIPIJQAOKAPU-OAHLLOKOSA-N 304.438 2.655 0 40 DFAB CC[S@@](=O)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 95417696 CDNMEMSMWTZOHC-SFHVURJKSA-N 308.230 2.720 0 40 DFAB COc1cccc2cc(CN3CCCC4(C3)OCCO4)oc12 97139081 NQLLLLYIXRRWMB-UHFFFAOYSA-N 303.358 2.780 0 40 DFAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 88436151 MIRUXQRYAMHYBR-NXEZZACHSA-N 307.312 2.678 0 40 DFAB Nc1cccc(CNS(=O)(=O)c2cc(F)ccc2Cl)c1 97147714 YDEJPAMOBJVEQB-UHFFFAOYSA-N 314.769 2.540 0 40 DFAB Cc1csc2nc(COC(=O)c3ccc(F)cc3)cc(=O)n12 5061968 VKNBJMOJQFCALT-UHFFFAOYSA-N 318.329 2.561 0 40 DFAB O=C(N[C@@H](Cc1cccs1)c1nccs1)c1cc[nH]n1 12087872 RDKFHZUMVLOARY-NSHDSACASA-N 304.400 2.642 0 40 DFAB CCc1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1 12363514 ZHFZQMPRIGCKDK-UHFFFAOYSA-N 315.392 2.662 0 40 DFAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4cnccn4)C3)ccc2O1 19497922 CJROIOWGTPZVNE-DZGCQCFKSA-N 323.396 2.820 0 40 DFAB O=C([C@@H]1OCCc2ccccc21)N1CCCC[C@H]1c1ncc[nH]1 158341395 YYIRMRQXDFQPRF-JKSUJKDBSA-N 311.385 2.777 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC1=CCCOC1 534331314 NXZYDATYUBBBLZ-UHFFFAOYSA-N 324.808 2.566 0 40 DFAB O=C(COC(=O)c1ccco1)Nc1ccc(Br)cc1 3216593 VXFDHCUGBOFISY-UHFFFAOYSA-N 324.130 2.838 0 40 DFAB NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 7473694 ZEEUWEQLXHTZHE-UHFFFAOYSA-N 308.381 2.846 0 40 DFAB c1c(C2CCOCC2)nc(C2CC2)nc1N1CCSCC1 1888844197 WRZMSAVKDHVHQF-UHFFFAOYSA-N 305.447 2.801 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc(C)on2)cc1 31157376 NHXNAKYWWCKCEM-HNNXBMFYSA-N 314.341 2.747 0 40 DFAB COc1cc(C(=O)C(C)(C)OC(C)=O)ccc1Br 575362095 BEDPJKRZNGDZPR-UHFFFAOYSA-N 315.163 2.982 0 40 DFAB CC(C)N1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 2055729898 ZMIKPYZRUNNYFT-QILLFSRXSA-N 317.433 2.688 0 40 DFAB O=C(NCCn1cc(-c2ccco2)cn1)NCc1cccs1 575615368 OECBUABFKMQYEE-UHFFFAOYSA-N 316.386 2.704 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cn1 31216542 SJQWEARMDUIIJS-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB O=C(Nc1cc(Cl)ccc1F)c1ccc(-c2nnn[nH]2)cc1 40477259 GKPSPPUKWYOHDL-UHFFFAOYSA-N 317.711 2.912 0 40 DFAB CS(=O)(=O)c1ccccc1NC(=O)NC1CCCCCC1 40526870 YULPJLGAEXNQEM-UHFFFAOYSA-N 310.419 2.934 0 40 DFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(C)(C)C)c1 30410 GKCYWSCIRJPEBQ-UHFFFAOYSA-N 307.346 2.635 0 40 DFAB NC(=O)[C@@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 93068 QKYOFOMIKYWCIN-LLVKDONJSA-N 305.378 2.651 0 40 DFAB CC(C)(C)OC(=O)NCCNC(=O)Nc1cccc(Cl)c1 59894790 GHLNYUZNKHTSKQ-UHFFFAOYSA-N 313.785 2.986 0 40 DFAB O=C(Nc1cccnn1)Nc1ccc(F)cc1OCC(F)F 91180581 DIJLBIAEHKYPFF-UHFFFAOYSA-N 312.251 2.904 0 40 DFAB CCCC[C@H](CC)CNC(=O)c1c(C)oc2nc[nH]c(=O)c12 29710832 GNBDUQQILJMTFM-NSHDSACASA-N 305.378 2.771 0 40 DFAB COc1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 334903 VBGRNWZUXVXFFU-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB COc1ccccc1CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8131198 OQCRZDFAYAKBEJ-SJKOYZFVSA-N 302.374 2.696 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cc3ccccc3s2)no1 6113216 IXNTVLSYCMGMST-UHFFFAOYSA-N 316.338 2.993 0 40 DFAB COc1ccc(/C=C2\Sc3nnc(C)n3N=C2C)cc1O 2770951 OWEKVBXEZUOKTP-QPEQYQDCSA-N 302.359 2.672 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)OCc1ccccc1 8306454 ZIVRTQYEYVIUFW-HOCLYGCPSA-N 318.417 2.998 0 40 DFAB CCO/C=C1\N=C(Cc2ccc(Br)cc2)OC1=O 8652804 LKGPEAUOPAEHNY-FLIBITNWSA-N 310.147 2.825 0 40 DFAB O=C(CCCOc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1 53524477 KVTQBVAXFZLLOR-UHFFFAOYSA-N 323.356 2.664 0 40 DFAB CC(C)N(C)CCNC(=O)c1ccc(F)cc1Br 54134572 IJMCSNAWWJMQRJ-UHFFFAOYSA-N 317.202 2.658 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2)c(=O)[nH]1 12460055 YLGZUHCKGIWFKR-UHFFFAOYSA-N 305.765 2.611 0 40 DFAB C[C@H](CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccsc1 91350209 KJWDIUJHBQNCPK-NEPJUHHUSA-N 324.471 2.850 0 40 DFAB CN(Cc1nc(O)c2cnn(C)c2n1)[C@H]1CCCc2ccccc21 54417780 SGUXPJLBLDXYDT-HNNXBMFYSA-N 323.400 2.578 0 40 DFAB CCn1cc(NS(=O)(=O)c2cccc3cc(C)cnc23)cn1 24577220 MNZKRNGDOYPUOD-UHFFFAOYSA-N 316.386 2.560 0 40 DFAB CCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 55276158 JZOZSLMOCDDYPW-UHFFFAOYSA-N 309.369 2.971 0 40 DFAB Cc1noc(-c2ccc(C(=O)NCc3ccc(C)n3C)cc2)n1 25352384 BEUQHPOUDWHEIU-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB Cc1cc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)no1 25365707 ZEQCPTWURYUVJR-UHFFFAOYSA-N 319.792 2.594 0 40 DFAB O[C@H](COc1ccc(C2CCCCC2)cc1)CN1CCOCC1 23633446 XFFYRRZXFFRISV-SFHVURJKSA-N 319.445 2.806 0 40 DFAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccncc1 58014294 JTHNIDZAISLVNH-QGZVFWFLSA-N 309.413 2.724 0 40 DFAB C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 58152881 RBMDBDMJCJZEIR-AWEZNQCLSA-N 318.417 2.701 0 40 DFAB COc1ccc(Cl)cc1NCCC(=O)Nc1ccn(C)n1 58280585 RPKUNYCUCOVUQM-UHFFFAOYSA-N 308.769 2.523 0 40 DFAB Cc1cnc(C(=O)N[C@H](C)c2cnn(-c3ccccc3)c2C)cn1 58227496 UNKINMZDAHZXEO-CYBMUJFWSA-N 321.384 2.770 0 40 DFAB Cc1cc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)on1 58203314 SZLZRBGMNKRLHB-UHFFFAOYSA-N 314.345 2.863 0 40 DFAB Cc1cc(C)n(CCNC(=O)c2ccc(OC(C)C)cc2)n1 28573916 GCTMQUKWEAVSKF-UHFFFAOYSA-N 301.390 2.717 0 40 DFAB CCCCNC(=O)COC(=O)CCc1nc2ccccc2s1 3370604 LMXDLJFZRSDHPH-UHFFFAOYSA-N 320.414 2.688 0 40 DFAB CCc1ccc2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1 25499865 DNKSPBPNNSTGTN-STQMWFEESA-N 301.386 2.965 0 40 DFAB COc1ccc(NC(=O)[C@H]2CCOC2)cc1OC1CCCC1 58412758 OBBFWMMXFQJDTI-LBPRGKRZSA-N 305.374 2.992 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(Cl)cn2C)n1 70017244 FOODKNYUHJGBLT-AWEZNQCLSA-N 320.824 2.797 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(C)c1 408486393 SLKHXTYFHURNDD-MELADBBJSA-N 307.415 2.545 0 40 DFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccccc1 12900068 FDUKINWBPYGXOR-UHFFFAOYSA-N 320.348 2.604 0 40 DFAB biogenic COc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(F)cc1 20399242 QVTRPOYSECUUSM-NSHDSACASA-N 316.332 2.591 0 40 DFAB CC(C)c1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 13039475 RMGHGBUCFRISNZ-UHFFFAOYSA-N 314.385 2.857 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 49064490 JZTDOUUTAMBMPL-UTLUCORTSA-N 318.200 2.505 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc(C)cc2)cc1C(=O)O 13393189 SDXLFVJOZIMORA-UHFFFAOYSA-N 313.353 2.561 0 40 DFAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 4121538 ZDEFYQTUNYPGJK-ZDUSSCGKSA-N 310.353 2.862 0 40 DFAB C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1nncn1C 69567170 CKMURPYNVDXHOK-DOMZBBRYSA-N 313.405 2.643 0 40 DFAB C[C@@H](NC(=O)Cn1cncn1)c1ccccc1Oc1ccccc1 69532620 IQOKTJIAWZOZCE-CQSZACIVSA-N 322.368 2.948 0 40 DFAB CCOc1ccc(-c2nnc(S[C@@H]3CCOC3=O)o2)cc1 5169689 AFUXLSKVSYWTKE-LLVKDONJSA-N 306.343 2.543 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2F)[C@@H]1C 5118149 UDBMOQCJNNNRBB-LALPHHSUSA-N 307.365 2.923 0 40 DFAB CC[C@H](OC(=O)c1ccc(C)cc1)C(=O)Nc1cc(C)on1 14019453 CQGBXYOVQIISKF-ZDUSSCGKSA-N 302.330 2.866 0 40 DFAB CC(C)c1noc([C@@H](C)N2CCN(Cc3cscn3)CC2)n1 65623973 AMFFWVBZNZGUMD-GFCCVEGCSA-N 321.450 2.528 0 40 DFAB NC(=O)c1ccccc1O[C@@H](C(=O)N1CCCC1)c1ccccc1 6580756 NUXBWESAKRUVBA-QGZVFWFLSA-N 324.380 2.528 0 40 DFAB O=C(c1ccccc1-n1cccc1)N1N=CC[C@@]1(O)C(F)(F)F 6829292 ZOYPYAOUDZABHC-CQSZACIVSA-N 323.274 2.560 0 40 DFAB CCCCNC(=O)CCC(=O)Nc1nc2ccccc2s1 4995622 RAMHFCAIVYSERZ-UHFFFAOYSA-N 305.403 2.931 0 40 DFAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc2c(c1)CCC2 7050505 BHGSMBVSKPQFKW-UHFFFAOYSA-N 313.382 2.852 0 40 DFAB Cc1cnc(C(=O)OCc2cc(-c3cccs3)on2)cn1 7550306 STQKXPYWLSYUIF-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB COCCOc1ccccc1C(=O)Nc1ccc2cn[nH]c2c1 68099041 UGPZHEAALPIWRO-UHFFFAOYSA-N 311.341 2.840 0 40 DFAB Cc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)OCO2 16147003 ZLBNBJCYPBYKCM-UHFFFAOYSA-N 313.353 2.875 0 40 DFAB CN1CCC(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1 83007738 XPMRQAFMSGWTLJ-UHFFFAOYSA-N 304.409 2.874 0 40 DFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 71279854 HEJPDAAGIWXFNE-UWVGGRQHSA-N 317.263 2.881 0 40 DFAB CCC[C@@H](C)NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 9114213 OJZFQMWMNRILMV-CYBMUJFWSA-N 305.422 2.813 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1 96001682 VLUDUXVJOSLNNE-UHFFFAOYSA-N 309.391 2.730 0 40 DFAB CC(C)(CC(=O)O)NC(=O)Cc1ccc(Cl)cc1Cl 84144233 HJUROCKITMFOAW-UHFFFAOYSA-N 304.173 2.905 0 40 DFAB COc1ccccc1NC(=O)c1ccc(OC)c(OC)c1OC 9484191 CEGIXSNDRCHIFS-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1oc2ccc(F)cc2c1C 71795586 NCUWFCMWYCEYOO-UHFFFAOYSA-N 306.337 2.608 0 40 DFAB Cc1cnn(CCC(=O)N[C@@H](c2ccc(F)cc2)C2CC2)c1 71888152 FPSYNTFHGNEGTH-QGZVFWFLSA-N 301.365 2.988 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2scnc2C)c1 71865917 JJOLCRLGJYQNPC-ZDUSSCGKSA-N 304.419 2.651 0 40 DFAB Cc1cc(CSc2nncn2CCc2ccccn2)on1 71893975 OCEVFYOCEJHTBS-UHFFFAOYSA-N 301.375 2.505 0 40 DFAB CS[C@H]1CCC[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 83990505 VYCDRSMJVHPBIA-KBPBESRZSA-N 308.451 2.514 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 72235233 BKZUOLIDLDLGAT-AWEZNQCLSA-N 318.446 2.753 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)CCc2ccco2)c(C)nn1C 72234309 NQDVOTZAPWMJQO-AWEZNQCLSA-N 317.389 2.626 0 40 DFAB Cc1ncc(CN2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)s1 84290615 ZCVFLOKNLDMSSK-GUTXKFCHSA-N 309.479 2.525 0 40 DFAB COc1cc(F)cc(NC(=O)N(CCO)C2CCCCC2)c1 97113393 UQUSJXLMKZGKNK-UHFFFAOYSA-N 310.369 2.993 0 40 DFAB C[C@H](N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(=O)N(C)C 97112481 OLCGFPYBDYLZBB-UWVGGRQHSA-N 322.796 2.517 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(F)c(F)c1 78898375 YWTQZNZROXZDAB-ZBEGNZNMSA-N 308.372 2.701 0 40 DFAB NC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)CC1 95393165 IOWMRCWKCNXBMA-QZTJIDSGSA-N 322.408 2.667 0 40 DFAB Cc1nc(CC(=O)N[C@H](C)[C@@H](C)Oc2ccccc2)cs1 95400140 AXMUOALXLZHUAK-VXGBXAGGSA-N 304.415 2.966 0 40 DFAB c1cc(NCc2cc[nH]n2)cc(N2CCN(CC3CC3)CC2)c1 95428596 RMKXRYCHASQPSP-UHFFFAOYSA-N 311.433 2.554 0 40 DFAB CCOCCC1(CNC(=O)N2CCSCC2)CCCC1 84801236 PIXLGAGIJBFGDC-UHFFFAOYSA-N 300.468 2.732 0 40 DFAB CC(C)(CNC(=O)[C@H]1Cc2cc(F)ccc2O1)[C@H]1CCCCO1 79102035 XEQFFVACMXQCFG-HZPDHXFCSA-N 321.392 2.841 0 40 DFAB CC(C)Cn1ncc(C(=O)/N=c2/sccn2C)c1C(F)F 95976075 OECGQCSXZXWBHO-GHRIWEEISA-N 314.361 2.618 0 40 DFAB O=S(=O)(CC[C@@H]1CCCO1)N1CC=C(c2ccccc2)CC1 95966082 FLYLZLGBBPDBKD-KRWDZBQOSA-N 321.442 2.675 0 40 DFAB O=C(OCCn1cccn1)c1ccccc1NCc1cccnc1 95987671 VDLBSNVQQMHONM-UHFFFAOYSA-N 322.368 2.747 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(CN)o1 95971715 AFJJURXEOLNPIV-AWEZNQCLSA-N 313.401 2.609 0 40 DFAB CN(Cc1ccoc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123136 HQKZNSAXKFKVHM-UHFFFAOYSA-N 315.251 2.651 0 40 DFAB Cc1cncc(C(=O)N2CCn3c(-c4ccsc4)cnc3C2)c1 306136505 PVJWANONIQYQRV-UHFFFAOYSA-N 324.409 2.971 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cc1 3850538 GDEZKMNODMYGCP-UHFFFAOYSA-N 315.354 2.846 0 40 DFAB biogenic Cc1nc(C)c(C(=O)N(C[C@H]2CCCO2)c2ccncc2)s1 74099818 NMSZNLWSLFBVRC-CQSZACIVSA-N 317.414 2.981 0 40 DFAB Cc1cc(C)n2nc(SCC3(Br)CC3)nc2n1 521395142 PQCXUFMGCZINFJ-UHFFFAOYSA-N 313.224 2.761 0 40 DFAB COCCn1ccc2cc(NC(=O)N3CCO[C@@H](C)C3)ccc21 78441559 PTXLXUGVYAWMSE-ZDUSSCGKSA-N 317.389 2.540 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)s1 73498598 RNDPKYMNWORRFA-SNVBAGLBSA-N 320.462 2.883 0 40 DFAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(N)=O)c2)n1 71873572 YZFPBRAFFJSALO-UHFFFAOYSA-N 309.291 2.932 0 40 DFAB Nc1cc(Br)c(O)c(-c2nc3ncccc3o2)c1 73634590 BOZCYOAHXKXXNR-UHFFFAOYSA-N 306.119 2.940 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCOC[C@H]1C1CCC1 563537831 PJVIVJJMPJUOFQ-INIZCTEOSA-N 302.349 2.948 0 40 DFAB Cc1csc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)n1 134189102 WVGVTYALZUBLAZ-HNNXBMFYSA-N 316.426 2.925 0 40 DFAB O=C(O)C1(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CCC1 568395192 AGIUTKLXDXHSFW-GFCCVEGCSA-N 323.776 2.925 0 40 DFAB Cc1noc(C2CN(Cc3ccc(Br)cc3)C2)n1 49482645 LUAQYBMHJHJOND-UHFFFAOYSA-N 308.179 2.740 0 40 DFAB CCCN(CCC)C(=O)Cn1c(CC)nc2ccccc2c1=O 40478656 FXAWFIOMCNFHLF-UHFFFAOYSA-N 315.417 2.608 0 40 DFAB CC1(CNC(=O)Nc2c(F)cc(Cl)cc2F)OCCCO1 192252095 ZRDAFGBNUGNPJZ-UHFFFAOYSA-N 320.723 2.893 0 40 DFAB COc1ccccc1[C@H](O)CNC(=O)C(C)(C)c1ccccc1 133189184 FIULCTKGBJIBJB-MRXNPFEDSA-N 313.397 2.823 0 40 DFAB CC[C@H](NC(=O)N1CCO[C@@](C)(CC)C1)c1c(C)nn(C)c1C 195574835 UZUBHFXCFUKHSQ-YOEHRIQHSA-N 322.453 2.699 0 40 DFAB Cc1cc(C)c(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)o1 96494448 ZIBYVILKAJIRTQ-UHFFFAOYSA-N 321.421 2.599 0 40 DFAB CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1cccc(Cl)c1 96519652 YBAYGMGATLUIKJ-SECBINFHSA-N 317.621 2.940 0 40 DFAB CC(C)n1cc(NC(=O)N2CCC(n3ccnc3)CC2)cn1 96447242 ICCOKYCUZAEHNC-UHFFFAOYSA-N 302.382 2.530 0 40 DFAB C[C@H](O)C[C@@H](CNC(=O)c1ccc(O)cc1F)c1ccccc1 97232589 MOEKMTHQYBUUFN-JSGCOSHPSA-N 317.360 2.816 0 40 DFAB CN1CCN(C(=O)c2ccc(Cl)cn2)c2ccc(F)cc21 96432404 LEMCARVFRFAHQA-UHFFFAOYSA-N 305.740 2.971 0 40 DFAB COc1cccc([C@@H]2C[C@H](C)CN2c2ccc3nncn3n2)c1 578835147 YETFDDYMLQKQGQ-WFASDCNBSA-N 309.373 2.720 0 40 DFAB CCN(C)c1ncnc2c1CCN(Cc1cccs1)CC2 96058788 VQBDKTFQMJTNIY-UHFFFAOYSA-N 302.447 2.595 0 40 DFAB Cc1[nH]ncc1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 96456439 UWFHRAONVAQZNW-MRXNPFEDSA-N 313.401 2.582 0 40 DFAB Cc1nnc(CN2CCC(Cc3nc(C(C)C)n[nH]3)CC2)s1 583652033 YQQGLOLFKRYUCE-UHFFFAOYSA-N 320.466 2.543 0 40 DFAB Cc1cccc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1C 97095132 CMZDBZZIZUCRKP-KBMXLJTQSA-N 320.433 2.546 0 40 DFAB CSC1(CNC(=O)Nc2ccc(F)c(F)c2)CCOCC1 96433690 ZTJULIFYSQOTRX-UHFFFAOYSA-N 316.373 2.999 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 245339436 SSXFEHZQFYVOLK-ZFWWWQNUSA-N 304.459 2.676 0 40 DFAB c1cncc(OC[C@H]2CN(Cc3ccco3)Cc3ccnn32)c1 253588489 FKANZJASOIDTMB-OAHLLOKOSA-N 310.357 2.507 0 40 DFAB CCC1(CC)CN(Cc2ccc(C(=O)O)cc2)CC[S@@]1=O 455654256 KAJRAFWMJBLOBI-NRFANRHFSA-N 309.431 2.508 0 40 DFAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cnccn1 96104533 XQHPVCWSQGWDFZ-UHFFFAOYSA-N 306.325 2.594 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccccn1 55517449 MZUIRBWZUKBVGZ-INIZCTEOSA-N 319.368 2.640 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN(C)[C@H](C)c1ccccc1 61801544 RMVDPOLPNYQDNX-CYBMUJFWSA-N 300.406 2.668 0 40 DFAB NC(=O)[C@@H](NCCOc1cccc(Cl)c1)c1ccccc1 56157137 VUIMUQXJIYDVGE-HNNXBMFYSA-N 304.777 2.535 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cccnc1 69520914 JCRSPGDWWLHTBY-OAHLLOKOSA-N 305.422 2.961 0 40 DFAB Cc1cc([C@@H](C)NC(=O)N2CCCC3(C2)OCCO3)c(C)s1 95982052 BFETUIFYTJCRSF-GFCCVEGCSA-N 324.446 2.974 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1C 44679 OQGAGMPXKFLMGU-ZDUSSCGKSA-N 322.364 2.927 0 40 DFAB Cc1cnc(OC2CCN(Cc3scnc3C)CC2)nc1 653798772 BMKPKEHXJXWBCW-UHFFFAOYSA-N 304.419 2.593 0 40 DFAB O=C1C=C(N2CCCCCC2)C(=O)N1c1ccc(Cl)cc1 5425999 BBWQGICAEUNMPA-UHFFFAOYSA-N 304.777 2.973 0 40 DFAB CCc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)on2)on1 19522818 MIPQYTHGCHGREN-UHFFFAOYSA-N 315.304 2.961 0 40 DFAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 169616604 VYXBHRQTPIDEGY-SDADXPQNSA-N 323.348 2.643 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)c1 1888853362 MBBCQXQCJNNXCG-UHFFFAOYSA-N 322.412 2.625 0 40 DFAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4nccs4)C[C@H]3C2)s1 1888856617 KPLCRUPQXGHTDG-VXGBXAGGSA-N 319.455 2.721 0 40 DFAB OC[C@@]12CCCC[C@H]1CN(c1ncnc3ccc(F)cc13)C2 1888866588 XJTNDEMWWJAGHI-SJCJKPOMSA-N 301.365 2.758 0 40 DFAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2c(nn1)CCC2 1888909578 ZWVWOHGTSHMDFY-UHFFFAOYSA-N 305.341 2.608 0 40 DFAB O=C(N[C@@H](Cc1cccs1)C(=O)O)OCc1ccccc1 39297873 CKJLJMFZZAWDKK-ZDUSSCGKSA-N 305.355 2.670 0 40 DFAB CNc1nnc(SCCC(=O)NC2CCCCC2)s1 32871211 JSZONOPYQKODFQ-UHFFFAOYSA-N 300.453 2.511 0 40 DFAB CC(C)OCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974337 RRPQLEGXQVSFPF-UHFFFAOYSA-N 322.386 2.603 0 40 DFAB CCc1ccc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)cn1 2055731795 WNHNCVPNZKJGIT-UHFFFAOYSA-N 322.412 2.552 0 40 DFAB O=C(NCc1nc(C(F)(F)F)cs1)c1ccc(O)cc1O 97236723 NBTDWOHBHALAFW-UHFFFAOYSA-N 318.276 2.503 0 40 DFAB Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nn2)cc1 40073612 RRUDDPYFMZSKBA-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB Clc1ccccc1[C@H]1CCCN1Cc1nnnn1C1CC1 40153668 VUSHPHCXWKUNAU-CQSZACIVSA-N 303.797 2.999 0 40 DFAB Cc1nc(N2CCOCC2)c2c3c(sc2n1)C[C@@H](C)CC3 87569 ZIALWVSXJDIAFY-JTQLQIEISA-N 303.431 2.961 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)NC(=O)N1 42867 RNZKTBSJGGWVQA-CQSZACIVSA-N 306.337 2.653 0 40 DFAB CC(=O)Nc1cccc(C2=C[C@@H](c3ccco3)N3NC=NC3=N2)c1 100487245 WGGSVKHCGWOKON-HNNXBMFYSA-N 321.340 2.538 0 40 DFAB CCCn1nnnc1NC(=O)c1ccc(Cl)cc1Cl 569525 GHTUWFUGNMZWEL-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1 7912929 RDAOTDFHVKRPRG-UHFFFAOYSA-N 324.336 2.794 0 40 DFAB CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccccc1F 21134087 FICWDKZYNOQRLP-UHFFFAOYSA-N 303.362 2.756 0 40 DFAB CC(=O)Nc1cc(OC(C)=O)c2ccccc2c1OC(C)=O 1677285 PTXJPKFIQMFSAA-UHFFFAOYSA-N 301.298 2.649 0 40 DFAB CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nccn2C)c1C 75605904 LCQZCFUOLFMMSD-UHFFFAOYSA-N 320.414 2.522 0 40 DFAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccn1 21895916 YXKXXDUALZHPGT-UHFFFAOYSA-N 306.369 2.516 0 40 DFAB CCOC(=O)C1CCN(C(=O)CCc2ccc(C)cc2)CC1 10313887 PYCMAYUKUXHKTP-UHFFFAOYSA-N 303.402 2.729 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CCC[C@@H]3C 509642 RGISBFJDQVDZOY-ZETCQYMHSA-N 323.443 2.978 0 40 DFAB CCN1CCC[C@H]1CNC[C@H](O)COc1ccccc1C(C)C 22041624 HAHPTMDDSGHXQD-IRXDYDNUSA-N 320.477 2.624 0 40 DFAB CCN(CC)c1ncc(CNC[C@@H](O)c2ccccc2)s1 37257307 POGSGSVXMWZWJY-OAHLLOKOSA-N 305.447 2.813 0 40 DFAB CCCCc1nc(CN2CCC[C@@H](Cn3cncn3)C2)cs1 69816555 VJJOWDJMKHPWSW-CQSZACIVSA-N 319.478 2.989 0 40 DFAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccco3)n2)C[C@@H](C)O1 22325471 ZKRPVVMQNWMFGU-GHMZBOCLSA-N 321.402 2.598 0 40 DFAB CC[C@@H]1CCCCN1C(=O)NCCOc1ccc2c(c1)OCO2 47131004 QFLSGTYZXLIYKQ-CYBMUJFWSA-N 320.389 2.768 0 40 DFAB CC1(CNC(=O)NCCCOCC2CCOCC2)CCCC1 77567904 TYKLTYYIZZWILC-UHFFFAOYSA-N 312.454 2.699 0 40 DFAB O=C(CC[C@H]1CCCO1)NCc1cccc(Cn2ccnc2)c1 24752816 GQVLAQOCZIKISU-QGZVFWFLSA-N 313.401 2.507 0 40 DFAB C[C@H](O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100259702 FVCMFOLIVJPKLR-UZCIPKQKSA-N 317.385 2.800 0 40 DFAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnnn3c2n1 3133217 WWVUSOHUVHTTGV-UHFFFAOYSA-N 307.157 2.710 0 40 DFAB Cc1ccnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 108104057 GUKNGPINEQQHEZ-KBPBESRZSA-N 320.437 2.915 0 40 DFAB Cc1noc(C)c1CN1CCN(Cc2c(C)noc2C)[C@H](C)C1 26669127 IWOCWFVPVJOQSD-LLVKDONJSA-N 318.421 2.603 0 40 DFAB CCc1noc(C)c1C(=O)NCc1ccccc1Cn1cccn1 27256116 DJMLZJNVXIBXLO-UHFFFAOYSA-N 324.384 2.720 0 40 DFAB O=C(Nc1cn[nH]c1)N1CCC(Nc2ccc(F)cc2)CC1 58051183 KQADLZQWBINBEB-UHFFFAOYSA-N 303.341 2.657 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)CCc1ccco1)OCO2 23995790 ZALKBILKUJMXQF-UHFFFAOYSA-N 301.298 2.782 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)N(CCO)CC1CC1 58231053 DULUMGPLRPEZFJ-UHFFFAOYSA-N 302.296 2.942 0 40 DFAB NC(=O)c1ccccc1NCc1nc(-c2cccs2)no1 12527215 WRFJNCOZSREDAW-UHFFFAOYSA-N 300.343 2.509 0 40 DFAB COc1cc(OC)cc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)c1 44921646 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CN(C(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1 65595555 OELNFWZHHMDLRJ-INIZCTEOSA-N 321.465 2.894 0 40 DFAB O=S(=O)(Nc1nccs1)c1cccc(OC(F)(F)F)c1 65575509 UIURNWDXDFPDHK-UHFFFAOYSA-N 324.305 2.843 0 40 DFAB COc1ccccc1N/C=C1/C(=O)N(C)C(=O)c2ccccc21 6413640 LLLBLCGPLBRSDA-SDNWHVSQSA-N 308.337 2.760 0 40 DFAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc3c(c1)OCO3)N2 4501922 RAXQIIVGLGTHTC-CYBMUJFWSA-N 302.355 2.948 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69569559 JJEXBBLHQYTDDF-GFCCVEGCSA-N 321.327 2.578 0 40 DFAB Cc1cc(C)cc(OCC(=O)NN2Cc3ccccc3C2=N)c1 6683690 MJLSFVJAOGRQCR-UHFFFAOYSA-N 309.369 2.555 0 40 DFAB CCC(CC)NC[C@H](O)COc1ccc(CCC(C)=O)cc1 6647073 AAYVURHRDVBGOW-KRWDZBQOSA-N 307.434 2.726 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)n1cnc2ccccc21 69657196 YONIOEIPGDLAJH-GJZGRUSLSA-N 323.400 2.658 0 40 DFAB CC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2O)CCO1 69657914 DCSPTTJGZZNAMU-QMMMGPOBSA-N 304.173 2.950 0 40 DFAB C[C@H](OC(=O)CCc1ccco1)c1nc2ccccc2c(=O)[nH]1 5982837 VMYNJULHNRBMIZ-NSHDSACASA-N 312.325 2.753 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cc(F)cc(F)c1 7032433 ALWMLORBHOJFTA-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H](n2cccn2)C1)n1cnc2ccccc21 69741331 LQFDLEVLFTXZBY-LSDHHAIUSA-N 323.400 2.658 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccsc1C(=O)OC 9049686 OXBVNLKGRFAHLS-UHFFFAOYSA-N 306.343 2.581 0 40 DFAB FC(F)(F)c1ccc(CN2CCOC[C@H]2c2ncon2)cc1 96000211 SZPPEVLIOKDLDG-LBPRGKRZSA-N 313.279 2.662 0 40 DFAB COc1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 19736463 SMQBKNRHVROXNC-UHFFFAOYSA-N 306.749 2.948 0 40 DFAB CCO[C@H](C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 72271111 MEYBASUODMZFRI-LLVKDONJSA-N 303.314 2.862 0 40 DFAB COC(=O)c1cc(CNC(=O)c2cc3c(s2)CCC3)oc1C 71804275 KRZXMHKDEAPYIU-UHFFFAOYSA-N 319.382 2.855 0 40 DFAB O=C(c1cccs1)N1CCN(Cc2ccc(F)cc2)CC1 19921076 AEMSOZLHDSCFPZ-UHFFFAOYSA-N 304.390 2.845 0 40 DFAB CCO[C@H]1C[C@H](N(C)c2ncnc3c2cnn3C)C12CCCC2 71920904 JRJISUQLNQZRQF-KBPBESRZSA-N 315.421 2.537 0 40 DFAB Cc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 71900080 KSGBELRIOLSYMA-OAHLLOKOSA-N 312.344 2.669 0 40 DFAB COCc1c(C(=O)NCCc2ccccn2)oc2ccccc12 21773227 DTXOKYFWWKTTAT-UHFFFAOYSA-N 310.353 2.947 0 40 DFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CC=CCC1 9709423 AZTMWKWXTNEARU-GFCCVEGCSA-N 309.373 2.970 0 40 DFAB Cn1ccnc1COC(=O)c1c[nH]nc1-c1ccccc1Cl 97147574 OKCNRGLQVUFJNE-UHFFFAOYSA-N 316.748 2.821 0 40 DFAB C[C@]1(CNC(=O)NCCC[C@@H]2CCCCO2)CCCS1 97138023 QNTHFKWSDJTUOB-DZGCQCFKSA-N 300.468 2.921 0 40 DFAB CCc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 79018788 OYWAXKVKFDFRMP-GFCCVEGCSA-N 322.405 2.923 0 40 DFAB Cc1nnc(SCc2cc3ccccc3s2)n1CC(N)=O 97235150 SZZLTBPLSGDXDI-UHFFFAOYSA-N 318.427 2.579 0 40 DFAB CCOc1ccccc1-c1noc(Cn2ccc(C)cc2=O)n1 95396583 POIFSHGFHNZCJZ-UHFFFAOYSA-N 311.341 2.654 0 40 DFAB C[C@@H](NC(=O)c1cc(O)nc(Cl)c1)[C@@H]1COc2ccccc21 95469374 IVZREKCNNHOMQR-SKDRFNHKSA-N 318.760 2.735 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)c1cccc(C(=O)NC)c1 95418645 QWCHHIKKJLZWOR-GJZGRUSLSA-N 319.401 2.797 0 40 DFAB C[C@H](CNC(=O)c1cccc(-c2ncn[nH]2)c1)Nc1ccccc1 95982651 FPZOSBRPOYTXEA-CYBMUJFWSA-N 321.384 2.702 0 40 DFAB Cn1nccc1C(=O)Nc1cc(CCc2ccccc2)ccn1 95964159 CZJNSQACJULJLM-UHFFFAOYSA-N 306.369 2.853 0 40 DFAB CC1(C)CN(C(=O)Nc2nc3ccccc3s2)CC[S@@]1=O 89919646 AHXOOGWTLVQUKG-OAQYLSRUSA-N 323.443 2.671 0 40 DFAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 89919968 HSQBOIXLBBNIBR-HWPZZCPQSA-N 309.325 2.730 0 40 DFAB O=C(O)CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 409133344 SLIIKUZYDGGVDJ-ZZXKWVIFSA-N 303.748 2.522 0 40 DFAB Cc1nc2ncnn2c(NC[C@@H](c2ccsc2)N(C)C)c1C 77188949 BTSVFPMDCPLDIP-ZDUSSCGKSA-N 316.434 2.517 0 40 DFAB CCCN1CCN[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72352738 QDEITGLPSRHAAR-GOSISDBHSA-N 309.413 2.502 0 40 DFAB Cc1nonc1NC(=O)[C@H](C)c1ccc(Br)s1 74727183 ACVMKIVLPRUUHY-RXMQYKEDSA-N 316.180 2.944 0 40 DFAB C[C@@H](Cc1cccs1)NC(=O)c1cccc(S(C)(=O)=O)c1 33204468 WMEXDGFGAOQBFS-NSHDSACASA-N 323.439 2.513 0 40 DFAB Cc1nnc(CSc2nncn2CCc2cccs2)o1 73506034 BCAFTVDVQWQWKL-UHFFFAOYSA-N 307.404 2.566 0 40 DFAB c1ccc2c(Cc3nsc(N4CCNCC4)n3)cccc2c1 216642260 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QXULPRYWBPZHOS-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC(C)C 222945217 ZFKNEBWJPKIBOO-INIZCTEOSA-N 304.434 2.771 0 40 DFAB Cc1cc(C)n2c(SCCCN3CCCCC3)nnc2n1 191807413 PPLHGSGYIITUHT-UHFFFAOYSA-N 305.451 2.709 0 40 DFAB CC(C)Cn1ncc(C(=O)Nc2ccncc2O)c1C(F)F 195557102 HCJINXMDEATDJH-UHFFFAOYSA-N 310.304 2.830 0 40 DFAB COC1CCC(CNC(=O)N2CCC(OC3CCC3)CC2)CC1 333604972 XBWWIEOLYGRLEB-UHFFFAOYSA-N 324.465 2.935 0 40 DFAB CSc1cccc(N2C(O)=NS(=O)(=O)c3cccnc32)c1 96511564 ZJUUDJIDFOWAEE-UHFFFAOYSA-N 321.383 2.558 0 40 DFAB CCSCc1cccc(NC(=O)N(C)Cc2ncnn2C)c1 96444544 IHHOYZXCFUGIQA-UHFFFAOYSA-N 319.434 2.732 0 40 DFAB Cc1occc1CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 96425145 NMCXSMRUYVKVFK-GJZGRUSLSA-N 313.353 2.779 0 40 DFAB CC(=O)c1c(F)cccc1N1CCC[C@@H](CN2CCOCC2)C1 96429482 ZORVXNKUBQGEQV-HNNXBMFYSA-N 320.408 2.577 0 40 DFAB O=C(O[C@H]1CCOC1)c1cccc(-c2noc(C3CC3)n2)c1 96442027 KIGXLGJVMQSQIO-ZDUSSCGKSA-N 300.314 2.560 0 40 DFAB Cc1cc(NC(=O)N(Cc2ccccc2)CC(C)(C)O)nn1C 96493138 BFAGAWOYYNKMNZ-UHFFFAOYSA-N 316.405 2.534 0 40 DFAB Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)o1 96056235 KUHLOBNREZYWCG-RYQLBKOJSA-N 304.434 2.521 0 40 DFAB O=C(C1CC1)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1 96220043 LHUWHHAKOHRXGG-HNNXBMFYSA-N 324.384 2.530 0 40 DFAB O=C(O)CCc1nc2cccc(Cl)c2n1C[C@H]1CCCO1 95095642 FXVWQNBGCZLWRD-SNVBAGLBSA-N 308.765 2.886 0 40 DFAB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccsc1)CC(O)=N2 95474357 MNHLVVHJZPOQHS-NSHDSACASA-N 319.386 2.713 0 40 DFAB Ic1ccc([C@@H]2CCOCCO2)cc1 95704898 UBIBSFQVYXNFJL-NSHDSACASA-N 304.127 2.769 0 40 DFAB CC(C)CN1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]21 248242119 OXPPVJLNVOEJFX-GDBMZVCRSA-N 306.837 2.681 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccccc2C)n1 257255652 KIIOSVWYJCDHCJ-ZDUSSCGKSA-N 305.403 2.552 0 40 DFAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccco2)OC)c1 96389740 JCVMOLSNTZQKEP-ROJDOSBLSA-N 301.342 2.805 0 40 DFAB O=C(c1ccccc1-n1cccn1)N1CCC[C@H](n2ccnc2)C1 69660381 SEVNDUQXFRKIFB-HNNXBMFYSA-N 321.384 2.546 0 40 DFAB CC(C)[C@H](C(=O)N(C)CCc1ccncc1)N1CCCCC1 69879563 ZSOVCTUSLFOYSG-QGZVFWFLSA-N 303.450 2.593 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 73572637 OHOSBZNSCRTQHL-LLVKDONJSA-N 323.356 2.712 0 40 DFAB COC(=O)Nc1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 71808753 ZQNFUBTZAAMSAB-UHFFFAOYSA-N 320.345 2.839 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)c3cc(C)nn3C)co2)cc1 102358690 YVANRRRKVCSSMW-UHFFFAOYSA-N 324.384 2.664 0 40 DFAB Cc1c(CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cnn1C 97048325 AIMJGDYZQPLNGX-LLVKDONJSA-N 320.359 2.895 0 40 DFAB Cc1cc(Br)cc(C(=O)NC[C@H](C)C[C@@H](C)O)c1 134512646 IDMWORILUOLJML-GHMZBOCLSA-N 314.223 2.894 0 40 DFAB Cc1ccsc1C(=O)OCc1nc2ccsc2c(=O)[nH]1 5263168 QXZBMGXHMJOVNI-UHFFFAOYSA-N 306.368 2.712 0 40 DFAB Cc1onc(NC(=O)OC(C)(C)C)c1I 203965622 HPRQTCKLJNPPLC-UHFFFAOYSA-N 324.118 2.935 0 40 DFAB Cc1noc(C)c1CCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 156460642 PGPFVVKROWJDNC-AWEZNQCLSA-N 323.437 2.823 0 40 DFAB CCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 156784551 OYEXJWFSZTVRKD-UHFFFAOYSA-N 319.810 2.594 0 40 DFAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 6326955 BECJKRRRTTYGQR-IZZDOVSWSA-N 309.343 2.515 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1Cl 2658008 FORZOIMGCFWYEE-UHFFFAOYSA-N 316.744 2.564 0 40 DFAB biogenic Cn1cc(-c2ccc(CCNC(=O)c3ccco3)s2)cn1 1889149430 AXXDVVOZSLUABT-UHFFFAOYSA-N 301.371 2.714 0 40 DFAB O=C(c1ccoc1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 245026724 NIKFICAKPPYVOB-CABCVRRESA-N 309.325 2.686 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2cc(C)nn2CC)cc1 13699955 QDYYNNQPWGEBFU-UHFFFAOYSA-N 301.346 2.640 0 40 DFAB O=S(=O)(NCc1cc(-c2ccco2)cs1)c1cccnc1 1775969836 NKAHHNGZKOLCGU-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB CCCCCNC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 29693525 FDIPKIBSWNSKGZ-NWDGAFQWSA-N 319.405 2.513 0 40 DFAB OC[C@H]1CCCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 69529422 BATPIADWIAZFBB-CYBMUJFWSA-N 308.328 2.967 0 40 DFAB O=C(NC1CCCCCCC1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 32656467 ZYPYWJMFSKJPIG-VXGBXAGGSA-N 320.355 2.673 0 40 DFAB O=C(c1ccc(O)c(Cl)c1)N1CCc2ccc(O)cc2C1 41065978 WLZRUYYAKDPSQD-UHFFFAOYSA-N 303.745 2.950 0 40 DFAB O[C@H](CNC1CCCC1)COCCOc1ccc(Cl)cc1 2701428 MIEJSCQWKBZIOL-OAHLLOKOSA-N 313.825 2.629 0 40 DFAB COCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 4341938 IEOGZSKRLWMDIC-UHFFFAOYSA-N 303.387 2.512 0 40 DFAB CCOC(=O)c1cnn2c(-c3ccc(OCC)cc3)ccnc12 21658423 QMGJBZPLAHESKD-UHFFFAOYSA-N 311.341 2.972 0 40 DFAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 7983581 WIEJVNJNOWXRIL-GFCCVEGCSA-N 308.337 2.852 0 40 DFAB CCOC(=O)[C@H](CC)Sc1nc2c3ccccc3ncn2n1 32937908 JEKBYZHGGZCVPJ-LBPRGKRZSA-N 316.386 2.711 0 40 DFAB CCCCS(=O)(=O)NCCc1nc(C(C)(C)C)cs1 69654552 FDGVCSKLWBBCDV-UHFFFAOYSA-N 304.481 2.703 0 40 DFAB CCOc1cc(CNn2c(CC)n[nH]c2=S)ccc1OC 8339164 JRPNPZACJPZLNT-UHFFFAOYSA-N 308.407 2.654 0 40 DFAB Cc1nc2cc(C(=O)OCc3cccc(N(C)C)c3)cnc2[nH]1 96012048 YXTRHMAPWVLTHP-UHFFFAOYSA-N 310.357 2.689 0 40 DFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(N)=O)cc2)cc1 23045339 ABHRAETZEDMWEU-GFCCVEGCSA-N 311.337 2.522 0 40 DFAB Cc1ccccc1OCC(=O)Nc1cnc2c(c1)c(C)nn2C 24032611 XXFDPTZGRJOVPF-UHFFFAOYSA-N 310.357 2.603 0 40 DFAB CC(C)C(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 24375971 GQTZQJCCWWKONN-UHFFFAOYSA-N 310.344 2.798 0 40 DFAB COCCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 24559335 QYIPSPKIOQBDPF-UHFFFAOYSA-N 307.781 2.600 0 40 DFAB CN(C(=O)c1ccc(=O)[nH]c1)[C@H](c1ccccc1)c1ccccn1 55418491 GHGNUOQNBRKCKF-GOSISDBHSA-N 319.364 2.632 0 40 DFAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cnn(C)c2C)n1 25014372 SENIKFAXDFPSSW-UHFFFAOYSA-N 309.373 2.783 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)NCC[C@@H]1CCCO1 23189962 ZFMVOPYKPDFFRS-HNNXBMFYSA-N 314.385 2.960 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)Oc2ccccc2)CC1 56055814 JONSRWGXTRCEOZ-UHFFFAOYSA-N 315.373 2.608 0 40 DFAB C[C@H](NC(=O)[C@H]1CSC(=O)N1)c1csc2ccccc12 76092764 DKPJMETUBZIEAB-GZMMTYOYSA-N 306.412 2.904 0 40 DFAB COC[C@@H](NCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 108461495 GHARJAIVGGHHAD-HLLBOEOZSA-N 304.434 2.753 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(Cl)C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@]12Cl 100930725 SXIFUYIBLDTKKR-RAUXKYGJSA-N 309.192 2.738 0 40 DFAB COc1ccc([C@H](CNC(=O)Nc2nccs2)N(C)C)cc1 44906999 ZHOUTUFXPKWFGX-ZDUSSCGKSA-N 320.418 2.576 0 40 DFAB CCN(CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1 58413459 DSYDNFDCWXZPFN-UHFFFAOYSA-N 315.398 2.726 0 40 DFAB CC(C)c1noc([C@@H](C)Sc2nnc(C(C)(C)C)n2N)n1 27777943 NWDQSLUNBXHRFG-MRVPVSSYSA-N 310.427 2.649 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccnc2)on1 58911151 QZIJTYAQTIBIRE-UHFFFAOYSA-N 313.342 2.718 0 40 DFAB CCCCC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 48310245 VABABHSKSYHVSG-NSHDSACASA-N 318.339 2.952 0 40 DFAB CCn1ccnc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 69871189 DNTFFIVNYIFABI-CQSZACIVSA-N 312.417 2.881 0 40 DFAB O=C(CCc1nc2ccccc2oc1=O)OCc1ccccc1 12925121 LWNIOJQPSNPVEW-UHFFFAOYSA-N 309.321 2.864 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)nc3)c2c1 79051009 XZEQXCXBEJRLFS-UHFFFAOYSA-N 309.369 2.852 0 40 DFAB O=C(NCc1ccccc1)c1ncn(-c2ccc(Cl)cc2)n1 8715358 XYLLJSHRRXJODP-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2c[nH]c3ccccc23)C1 6114922 MOPTYQNBLJNAAS-STQMWFEESA-N 314.385 2.829 0 40 DFAB CCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2)C1 65243873 AKWVIGGHEGNIIV-GOEBONIOSA-N 324.852 2.612 0 40 DFAB COc1ccc(NC(=O)c2cncc(Br)c2)cn1 6252701 QDCUMFLKVSDXLA-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccc2)c1C 6327411 USXIDZPNKYTGEC-UHFFFAOYSA-N 300.358 2.738 0 40 DFAB FC(F)(F)c1nnc2ccc(Oc3ccc4c(c3)OCO4)nn12 14164859 TXZQHLIEDYGOTH-UHFFFAOYSA-N 324.218 2.664 0 40 DFAB Cc1cccn2cc(CC(=O)N[C@@H]3CCc4ccccc43)nc12 65607643 AXUNJUVUVZPTEX-QGZVFWFLSA-N 305.381 2.989 0 40 DFAB CCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)OC)cc1OCC 65610093 MTXUIQZBRMHUOG-KRWDZBQOSA-N 323.389 2.556 0 40 DFAB Cc1cccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 14371716 JWZCTKLMSXLYGT-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)CSc1n[nH]c(N)n1 6607118 QMCQXPPFFBSSAA-UHFFFAOYSA-N 305.407 2.550 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976127 FNYNSRFYRDIIJV-DZGCQCFKSA-N 320.408 2.522 0 40 DFAB Cc1[nH]c(C(=O)NCc2ccncc2)c(C)c1C(=O)OC(C)C 9157670 NJSGAVKYMFDKBE-UHFFFAOYSA-N 315.373 2.522 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1oc2ccc(OC)cc2c1C 7724429 SALIVBMGMZXIPD-CYBMUJFWSA-N 316.401 2.964 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 8059509 DBSFGLOGFXSZFL-UHFFFAOYSA-N 324.427 2.527 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nnc(C3CC3)o2)n1 70006001 DMAYXSHISBTZOM-HNNXBMFYSA-N 315.421 2.815 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c(O)c1 8378744 ILEVQECZKWPDLE-UHFFFAOYSA-N 318.760 2.723 0 40 DFAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](C(F)(F)F)C1 71795510 QKNPPFWSDQVYCI-GFCCVEGCSA-N 324.306 2.682 0 40 DFAB CCc1sc(-c2nnc(CNCCn3cccn3)o2)cc1C 71879264 KSUMWCNQUWDJBT-UHFFFAOYSA-N 317.418 2.655 0 40 DFAB O=C(c1cccnc1-n1cccn1)N1CC[C@@H]2CCCC[C@H]2C1 71828337 GHEOONQCCUFECT-GJZGRUSLSA-N 310.401 2.920 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)c1 71869821 YNSAMWQPOKSAFR-MRXNPFEDSA-N 308.385 2.978 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(c2ccccc2F)CC1 71835111 QKSRWQBAOORRBQ-UONOGXRCSA-N 314.360 2.871 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)no1 84116961 UMKHQKRIBPXDGC-LBPRGKRZSA-N 305.765 2.645 0 40 DFAB CC[C@@H](O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97082937 NDKXTPMLNVDYBO-KGLIPLIRSA-N 303.324 2.850 0 40 DFAB Cc1ccc(CNC(=O)NC[C@](C)(O)c2ccccc2)s1 72284985 WMQKUTJFNNTORF-INIZCTEOSA-N 304.415 2.763 0 40 DFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc2nnnn2n1 72277134 YBDBFKAQYGNNPI-LSDHHAIUSA-N 308.389 2.682 0 40 DFAB CCc1ccc([C@@H](CO)NCc2nc3nccc(C)c3[nH]2)cc1 97103368 RYKMUQKSMAAOPG-OAHLLOKOSA-N 310.401 2.652 0 40 DFAB O=C(NCC1(c2ccncc2)CC1)c1cc(F)c(F)c(O)c1F 97112995 WWULRXDMWPCZGR-UHFFFAOYSA-N 322.286 2.666 0 40 DFAB Cc1nc2ncc(C(=O)Nc3ccnc(C(C)(C)C)n3)cc2[nH]1 97373094 XOELTOJKINAVNH-UHFFFAOYSA-N 310.361 2.606 0 40 DFAB O=C(CN1CCCOc2ccccc21)NCc1cccs1 84582867 DYAHLIJZOUYBHW-UHFFFAOYSA-N 302.399 2.653 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCc1cnn(C)c1 79585846 WPKVCDYUAMFFGD-SGTLLEGYSA-N 315.392 2.932 0 40 DFAB Cc1ccc(OCCN(C)S(=O)(=O)c2cccs2)cc1 97604427 SQFFPUDTXZSZND-UHFFFAOYSA-N 311.428 2.756 0 40 DFAB Cc1ccccc1NC1CCN(c2ncnc3[nH]cnc23)CC1 95395451 RQAKDVSMJKORKZ-UHFFFAOYSA-N 308.389 2.742 0 40 DFAB O=C1[C@H](Nc2ccn(CC(F)(F)F)n2)CCN1c1ccccc1 95430818 CETHZRLVKXQBHO-GFCCVEGCSA-N 324.306 2.663 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(F)c(F)cc1F 95445489 BUFAGOHBQCHQMQ-AMIZOPFISA-N 313.275 2.939 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 95423973 YWJOGYOAAWLMKL-ZDUSSCGKSA-N 303.337 2.889 0 40 DFAB c1cnc2ncnc(NCc3ccc(Cn4cccn4)cc3)c2c1 95434838 NFBDPTOFDZEVAE-UHFFFAOYSA-N 316.368 2.882 0 40 DFAB CC(C)c1cc(CNC(=O)/C=C/c2ccc(C(=O)O)cc2)on1 95969745 OMHDAYBWPYNQGU-VMPITWQZSA-N 314.341 2.826 0 40 DFAB CCc1cccc2c(CC(=O)N(CC)C[C@@H](C)C(=O)O)c[nH]c12 95970629 IPXUPVXDHQHUGJ-GFCCVEGCSA-N 316.401 2.842 0 40 DFAB CCOc1ccc(NC(=O)N2CC[C@H]3CN(C)CC[C@@H]32)cc1 95996460 WUNNFHBTJSPBOI-BBRMVZONSA-N 303.406 2.643 0 40 DFAB Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[nH]2)c(F)cc1F 89570459 FISVJPIBZKYNOY-UHFFFAOYSA-N 315.283 2.706 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccncc2)CC1 75123046 ZDWSQDMWBKJDCQ-OALUTQOASA-N 321.424 2.530 0 40 DFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc[nH]1 89840133 ZWNYFANWNNYODF-INIZCTEOSA-N 304.365 2.986 0 40 DFAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCn1ccnc1 20451822 XDJZSVPFVRXLLF-CQSZACIVSA-N 321.808 2.900 0 40 DFAB CC(C)CNC(=O)c1cc(=O)c(OCc2ccccc2F)co1 36354299 DVEOWFZGCNEWSI-UHFFFAOYSA-N 319.332 2.744 0 40 DFAB COc1ccc(C[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1 39283089 GVPXAJMOULURAZ-CYBMUJFWSA-N 309.362 2.558 0 40 DFAB CC(C)OCCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 31103635 OTSCDKRYEGIRLM-LBPRGKRZSA-N 308.378 2.591 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(F)c(Cl)c1)CC(=O)O2 524733744 MHHCHPBLWQVYPN-JTQLQIEISA-N 321.735 2.927 0 40 DFAB CN(Cc1cc(-c2ccccn2)no1)Cc1nnc(C2CC2)o1 1529187735 ZUGDBFTYXVCPMI-UHFFFAOYSA-N 311.345 2.629 0 40 DFAB Cc1cc(C)nc(NC(=O)c2ccc(Cn3cccn3)cc2)n1 32648334 IWVAXKOPVQEHKW-UHFFFAOYSA-N 307.357 2.591 0 40 DFAB C[C@H](OC[C@@H](O)CNC(=O)[C@H]1CC=CCC1)c1ccccc1 79085127 GIWRRFGRJBSXMM-XIRDDKMYSA-N 303.402 2.598 0 40 DFAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccncc1 38754188 KZJNXKODPMYCPQ-UHFFFAOYSA-N 315.279 2.945 0 40 DFAB O=C(Cn1nc(C(F)F)c2c1CCC2)N1CCc2ccccc21 36614026 RJFZGLWGDVNZPA-UHFFFAOYSA-N 317.339 2.899 0 40 DFAB O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1c1nc[nH]n1 181394951 WSUXCFCXCANAQL-LBPRGKRZSA-N 308.744 2.965 0 40 DFAB CNC(=S)NCc1ccccc1COCc1ccccc1 36847820 NZOOAMKJBUYLKS-UHFFFAOYSA-N 300.427 2.997 0 40 DFAB Cc1cccc(CN(C)C(=O)NC[C@H]2CCCN(C)C2)c1C 557599311 JFDARLPJYACMCD-MRXNPFEDSA-N 303.450 2.787 0 40 DFAB O=C(CNCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 35311493 RLFZWHSYSYSITJ-UHFFFAOYSA-N 318.760 2.797 0 40 DFAB O=C(CSC(=S)N1CCCC1)Oc1ccc(F)cc1F 215679234 WTNSQLRWPAQCNO-UHFFFAOYSA-N 317.382 2.984 0 40 DFAB CC(=O)N[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 73372782 JDYAEPOVCTZWTD-IHPCNDPISA-N 322.408 2.878 0 40 DFAB O=C(c1ccc2cc[nH]c2c1)N1CCc2ccccc2[C@H]1CO 185681196 HIDPMBCKLCYBOA-GOSISDBHSA-N 306.365 2.900 0 40 DFAB CCC(CC)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 193139592 XGNNVVWTDFBSGV-SJORKVTESA-N 305.418 2.774 0 40 DFAB COc1ccc(C(=O)N2c3cc(N)ccc3C[C@H]2C)cc1OC 225319187 DJONUEHPRROIBX-LLVKDONJSA-N 312.369 2.877 0 40 DFAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 222992225 AITFAYLYCGAUIJ-KGLIPLIRSA-N 319.455 2.762 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(CO)cc2)C1 228909658 QMZRYEIHUFSFDQ-OAHLLOKOSA-N 320.433 2.920 0 40 DFAB CC[C@H]([C@H](N)c1ccc(Br)cc1)S(=O)(=O)CC 96524928 ZBEIKTBLKSBPIH-VXGBXAGGSA-N 320.252 2.662 0 40 DFAB Cc1ncc(C(=O)O)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1 96517131 AWOKXCFYEQLNIS-UHFFFAOYSA-N 321.377 2.598 0 40 DFAB CC[C@H](C)OCC(=O)Nc1ccc(Br)cc1O 95433556 SLNZKQDGSVWQHL-QMMMGPOBSA-N 302.168 2.908 0 40 DFAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)nn1 96184856 YOKVTRILLRCBBW-CABCVRRESA-N 300.431 2.700 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 96192540 ZIWJNEMDZOAJFH-KRWDZBQOSA-N 312.373 2.733 0 40 DFAB CC(C)(CNC(=O)CCOC[C@H]1CCCO1)c1cccc(F)c1 96411093 ZMWHHKSPFZIGTQ-MRXNPFEDSA-N 323.408 2.805 0 40 DFAB CCOCCCC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 96411471 ZTQNFNLZBJFRSQ-CYBMUJFWSA-N 320.216 2.960 0 40 DFAB CN(C)[C@H]1CC[C@@H](NC(=O)Nc2cccc(OCCF)c2)C1 92076698 RBYAENUPUVOJAH-KGLIPLIRSA-N 309.385 2.639 0 40 DFAB CCC1=N[C@@]2(CC[C@@H]3CN(CC(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261642 SEGHQHJBHCLTPO-JTDSTZFVSA-N 317.477 2.784 0 40 DFAB CN(C)C(=O)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 96260737 GCAVDCLARRRTLO-UHFFFAOYSA-N 310.357 2.675 0 40 DFAB COc1ccccc1CCNC(=O)N[C@H](C)c1nccs1 96404525 VMYTXZQGAZZDPH-LLVKDONJSA-N 305.403 2.755 0 40 DFAB Cc1ccccc1-n1nc(C(=O)O)c(N2CCC(C)CC2)n1 256046972 JJFDGYSHSLMMIW-UHFFFAOYSA-N 300.362 2.510 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@H](c2[nH]ncc2C)C1 257239082 HNWSLVJBWUBFEL-ZDUSSCGKSA-N 314.389 2.532 0 40 DFAB COC(=O)[C@H](Sc1nnc(C(F)F)n1C)c1ccsc1 252491872 LXYJZKRRHTYHTF-SSDOTTSWSA-N 319.358 2.821 0 40 DFAB C[C@]1(O)CN(Cc2cccnc2)CC[C@@H]1Oc1cccc(F)c1 257340621 ZGXJTCSNDRBNEU-ROUUACIJSA-N 316.376 2.625 0 40 DFAB Fc1cccnc1CN1CCCC[C@@H]1c1ccn2ccnc2n1 257200897 AFHDZWDWWNWNAL-MRXNPFEDSA-N 311.364 2.991 0 40 DFAB Cc1cccc(OC[C@@]2(O)CN(C3CCCCC3)CC[C@@H]2O)c1 585282404 JNSWNFRYNVTNIV-OALUTQOASA-N 319.445 2.504 0 40 DFAB C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccn(C)n1 680630467 MUOSUEHLXVGDQS-ZBFHGGJFSA-N 312.417 2.550 0 40 DFAB C[C@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@@H]1CCCO1 49674600 PXEJUDVNXQKILK-NHYWBVRUSA-N 305.422 2.813 0 40 DFAB CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 95413251 ZQMLOSIPGVRJOR-SQWLQELKSA-N 317.433 2.536 0 40 DFAB Oc1nc(CN2CCOc3ccccc3C2)nc2ccsc12 96308938 RGHCMXUJRKMZHU-UHFFFAOYSA-N 313.382 2.792 0 40 DFAB COc1cccc(CSc2nnc(-c3cnccn3)n2C)c1 1332852 BZGFNJSBOYARJL-UHFFFAOYSA-N 313.386 2.573 0 40 DFAB Brc1cccc2c1CC[C@@H]2NCCn1ccnc1 91264091 BMMUZDVEZJIDEI-AWEZNQCLSA-N 306.207 2.923 0 40 DFAB COn1c(=O)c(-c2cccc3ccccc23)[n+]([O-])c2ccccc21 5274835 CZGKNCQBPNETNA-UHFFFAOYSA-N 318.332 2.514 0 40 DFAB CCCCN1C(=O)C(=O)N(Cc2cccc3ccccc23)C1=O 5568760 MWEJQGJPQFZIFF-UHFFFAOYSA-N 310.353 2.931 0 40 DFAB Cc1cc2c(cc3c(=O)n(CC(=O)C(C)(C)C)nc(C)n32)s1 12115353 QINVRZFALXDMLM-UHFFFAOYSA-N 317.414 2.943 0 40 DFAB Cn1cc([C@H]2CCCCCN2C(=O)c2nn(C)cc2Cl)cn1 19290599 NBMHIZAGZQOSMR-CYBMUJFWSA-N 321.812 2.565 0 40 DFAB c1ccc(N2C[C@@H]3CCN(c4ncnc5ccccc45)[C@@H]3C2)nc1 1889186924 CTPAVHZJYVPEPI-WMLDXEAASA-N 317.396 2.740 0 40 DFAB O=c1[nH]c(CN2CCc3sccc3C2)nc2ccsc12 36390200 SIABBUUUYVVWKP-UHFFFAOYSA-N 303.412 2.604 0 40 DFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)s2)C1 2087128971 FPXUZUNCBPOQDP-LBPRGKRZSA-N 322.478 2.889 0 40 DFAB Cc1noc(C)c1CN(C)Cc1csc(-c2ncccn2)n1 51706026 NPHBVGJMFZFFDP-UHFFFAOYSA-N 315.402 2.837 0 40 DFAB Cc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Cl)c1 182495 KUQJPOILAYYRQY-UHFFFAOYSA-N 313.744 2.742 0 40 DFAB Cc1ccc2c(CC(=O)NCc3c(C)cc(C)[nH]c3=O)coc2c1 16511448 POILQFODEMWVMQ-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB C[C@@H](CNC(=O)CC[C@H]1CCCO1)N1CCc2sccc2C1 46243590 KPQSAEQTDFCMKY-DZGCQCFKSA-N 322.474 2.570 0 40 DFAB O=C(c1ccccc1)N1C[C@@H]2CC[C@H]1CN2C(=O)c1ccccc1 1558838 UXMQOMVOTBFRSO-ROUUACIJSA-N 320.392 2.816 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)N(C)c1nccs1 32832373 WJDDHFYZVOJLMI-UHFFFAOYSA-N 314.370 2.614 0 40 DFAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc3c(c2)CCC3)C1 4833647 ORQWJBOWUUFLIA-MPGHIAIKSA-N 303.446 2.893 0 40 DFAB Cc1nn(C)cc1C(=O)Nc1c(C)nn(Cc2ccccc2)c1C 2769291 SGSGROMBKKEFAX-UHFFFAOYSA-N 323.400 2.842 0 40 DFAB CCOc1ccc(NC(=S)NCCCN2CCCC2)cc1 7026918 GJGRCZRMRRSVJC-UHFFFAOYSA-N 307.463 2.858 0 40 DFAB CC(=O)Nc1nc(C(=O)NCC2(c3ccccc3)CC2)cs1 32920854 CCWTUAZGXGWLGK-UHFFFAOYSA-N 315.398 2.563 0 40 DFAB O=C(OCc1nc2ccccc2o1)[C@@H]1COc2ccccc2O1 8540430 SWOSZNRCCAQPQZ-HNNXBMFYSA-N 311.293 2.711 0 40 DFAB CC(=O)Nc1ccc2nc(NC(=O)C(F)(F)F)sc2c1 57316764 BGHDHYYNAXYIQI-UHFFFAOYSA-N 303.265 2.756 0 40 DFAB O=C(CCc1cccs1)N1CCC(OC[C@H]2CCCO2)CC1 81655173 DDCBWTMGZZNSAQ-OAHLLOKOSA-N 323.458 2.867 0 40 DFAB O=C(Nc1cccc(N2CCCNC2=O)c1)NC1CCCC1 76082076 NOKMQOOGPSPHHU-UHFFFAOYSA-N 302.378 2.670 0 40 DFAB CCOC(=O)C1=C(C)NC(SCC#N)=N[C@H]1c1ccccc1 50250599 BRWSDSBZIIIPOA-AWEZNQCLSA-N 315.398 2.781 0 40 DFAB CN(C)C(=O)[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 53581465 KLSUPWAYWOEDBV-GFCCVEGCSA-N 324.306 2.737 0 40 DFAB CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cc(F)ccc1F)C2 108532207 VSUGWBPZIDSPLK-WMLDXEAASA-N 308.372 2.703 0 40 DFAB O=C(NCCc1cn2ccccc2n1)[C@@H]1C[C@@H]1c1ccc(F)cc1 23320240 ZLFRVAYAWBORAS-IAGOWNOFSA-N 323.371 2.936 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccccc3)on2)c(=O)[nH]1 8215854 XMQIYZURPUPSGK-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)N1 70075764 SNJFHIDZTINDQZ-NXEZZACHSA-N 301.217 2.745 0 40 DFAB Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)cc(=O)n2c1 24761439 KXPBYMCVBWLJTE-UHFFFAOYSA-N 314.433 2.724 0 40 DFAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCCN1CCCC[C@@H]1C 107147313 LXBPBLCADIOPAS-SOUVJXGZSA-N 313.511 2.786 0 40 DFAB CN(C)C(=O)c1cccc(NC(=O)NCc2cccs2)c1 43992857 KEKZDUGRPLTNCZ-UHFFFAOYSA-N 303.387 2.772 0 40 DFAB O=C(NCc1ccccc1OC1CCCC1)c1cccc[n+]1[O-] 57165593 CMVFGJSRYSFHMB-UHFFFAOYSA-N 312.369 2.571 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(C)c2)c1 51357076 NYJIEHJQYBENNV-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1 3208247 NZRQFMPFEUTMTQ-UHFFFAOYSA-N 305.355 2.600 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cn1 57748559 ICMVWTYPAFVAKI-QWHCGFSZSA-N 311.385 2.868 0 40 DFAB CC1CCN(C(=O)COC(=O)c2ccc3ccccc3n2)CC1 3237429 HVDFWUHGSPEFSN-UHFFFAOYSA-N 312.369 2.650 0 40 DFAB Cc1ccc(CN(C)C(=O)c2nn(-c3ccccc3)nc2C)o1 35903392 IVGCYJVHHGMFPE-UHFFFAOYSA-N 310.357 2.749 0 40 DFAB Nc1nnc(SCc2ccn(-c3cccc(F)c3)n2)s1 58183364 RWYYUWXYZYITCR-UHFFFAOYSA-N 307.379 2.737 0 40 DFAB Cn1cnnc1CNC(=O)c1sccc1-c1ccc(F)cc1 58266145 BARWVHYXPVGYCU-UHFFFAOYSA-N 316.361 2.613 0 40 DFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)nn1 58265056 SMESNNZYKYLURI-ZBFHGGJFSA-N 311.385 2.981 0 40 DFAB COc1ccc(C(C)=O)cc1CN(C[C@H]1CCOC1)C1CC1 44938038 SITIMEKSJDXERB-CQSZACIVSA-N 303.402 2.899 0 40 DFAB CCN(CC)CCC[C@@H](C)NC(=O)c1cccc2cn[nH]c12 58325998 UZDGJPPWKMPDCA-CYBMUJFWSA-N 302.422 2.803 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc(C(C)C)ccc1O 58368863 AYKYFTMSLDGQNA-UHFFFAOYSA-N 306.406 2.502 0 40 DFAB CC(C)Sc1ncccc1C(=O)N[C@H](C)Cn1cccn1 48127359 BTZLYIVXFOYONO-GFCCVEGCSA-N 304.419 2.597 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cn1 29085439 AYVCZXYAIRMNBB-INIZCTEOSA-N 324.359 2.782 0 40 DFAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 12752505 WSYJHQFTJZLGLQ-SWLSCSKDSA-N 311.389 2.519 0 40 DFAB CCCCN(CC(N)=O)Cc1c(C)cc(C)c(C(C)=O)c1C 48374256 QFOGCJACWNVQPA-UHFFFAOYSA-N 304.434 2.902 0 40 DFAB O=C(C1=CCCC1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 306141392 VUGTVOZIIJLAKF-QGZVFWFLSA-N 315.417 2.693 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@@]3(O)C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931235 IFRIPYPBJCUNAG-HGKNBMNWSA-N 308.462 2.866 0 40 DFAB Cc1cc(NC(=O)CSc2nc3ncc(Cl)cc3[nH]2)no1 8424629 FJBMPGOCXFMYAT-UHFFFAOYSA-N 323.765 2.639 0 40 DFAB COc1cc(C(=O)N(C)Cc2ccco2)cc(OC)c1OC 8485454 ICHKNJQMMWRELT-UHFFFAOYSA-N 305.330 2.578 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(C)=CC[C@@H]2C(=O)O)cc1 3893702 VJYVMOJMTKUPLK-LSDHHAIUSA-N 316.357 2.641 0 40 DFAB CCN(C(=O)c1cccc(C)n1)[C@@H]1CCN(c2ccccc2)C1=O 69618870 YIMDFQISLZXNLQ-QGZVFWFLSA-N 323.396 2.658 0 40 DFAB CCN(CC)Cc1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 60332987 PYBJHUROZMUOHA-MRXNPFEDSA-N 306.406 2.716 0 40 DFAB C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1cccnc1 65452063 RVEXBYXSPUSOMG-RYUDHWBXSA-N 324.384 2.698 0 40 DFAB O=C(Nc1ccccn1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 65552417 BYVLUQXCNSDQBL-HNNXBMFYSA-N 324.384 2.508 0 40 DFAB CCCNC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 14187431 KWBZDOSOGJERMT-UHFFFAOYSA-N 304.177 2.641 0 40 DFAB Cc1nc(-c2cccc(NC(=O)c3nccnc3N)c2)oc1C 66741409 HZVWGDPXTMTXOV-UHFFFAOYSA-N 309.329 2.583 0 40 DFAB COc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(OC)c1 15662037 CLIAFQPIVFCYMG-SXGWCWSVSA-N 309.321 2.514 0 40 DFAB COc1cc([C@H](C)N[C@H]2C=CCCC2)ccc1S(C)(=O)=O 90393651 FHYCONPWVXQJDJ-JSGCOSHPSA-N 309.431 2.858 0 40 DFAB Cc1cccc(OC(=O)CCn2cnc3ccccc3c2=O)c1 16468320 HCFBFNCKKZTANP-UHFFFAOYSA-N 308.337 2.701 0 40 DFAB CN(CC1=CCCOC1)[C@H]1CCN(c2ccccc2Cl)C1=O 93359994 JWCRJPQXQDFTMU-INIZCTEOSA-N 320.820 2.724 0 40 DFAB CCN(CCCn1nnc(-c2ccccc2)n1)CC(F)(F)F 96010347 YVHMYCRFDZHOLO-UHFFFAOYSA-N 313.327 2.614 0 40 DFAB Cc1c(Br)cccc1COC(=O)c1ccnnc1 97022486 YHAFRSDMEYCJHH-UHFFFAOYSA-N 307.147 2.905 0 40 DFAB CCO[C@H]1C[C@H](NCC(=O)NCc2ccccc2)C1(CC)CC 97034460 UWXKODBGGQHZJE-IRXDYDNUSA-N 318.461 2.876 0 40 DFAB NC(=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 71794730 OMGGDAQIYMJFBC-DLBZAZTESA-N 308.381 2.699 0 40 DFAB Cc1ncsc1C(=O)OCc1nccn1CC(F)(F)F 71799273 QKTPHQRSMNGGCA-UHFFFAOYSA-N 305.281 2.567 0 40 DFAB COc1ccc(Cl)cc1N[C@H]1CCN(CC(F)(F)F)C1=O 96459057 WMZLSGHWDQCMOZ-VIFPVBQESA-N 322.714 2.924 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)NC1CCCCCCC1 9517056 VMTXEYSHIIKMTE-UHFFFAOYSA-N 309.431 2.933 0 40 DFAB O=C(NC[C@H]1Cc2ccccc21)c1cc2ccccc2c(=O)[nH]1 71821318 AEFHWWNARUICAR-CQSZACIVSA-N 304.349 2.598 0 40 DFAB CC(C)Cc1nnc([C@@H](C)Sc2nc3ncccn3n2)o1 71893946 CXTNRUNRYBTCOI-SECBINFHSA-N 304.379 2.559 0 40 DFAB C[C@H](NC(=O)NCC(=O)NC1CC1)c1csc2ccccc12 71879937 MJFSMIMNCCHWAY-JTQLQIEISA-N 317.414 2.540 0 40 DFAB CCc1ncc(CN(C)C(=O)c2ccc3[nH]cnc3c2)s1 71890829 PWEHEDCOLBFMAV-UHFFFAOYSA-N 300.387 2.854 0 40 DFAB Cn1cc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1C(N)=O 71888464 PSQVEHOEFSCPNP-ZDUSSCGKSA-N 311.385 2.573 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC=CCC2)C(=O)O)c1 97018736 TYDMQRXSFXPUKP-CVEARBPZSA-N 301.386 2.711 0 40 DFAB C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCCO1 71886635 KILADXBYLKUTAN-SUMWQHHRSA-N 315.417 2.967 0 40 DFAB CCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 83823674 RRKPXFWNWKGPHS-RDTXWAMCSA-N 300.446 2.986 0 40 DFAB Cc1ncsc1CNC(=O)N[C@H]1CCc2ccccc2C1 72274297 LJGROGNJYURADT-AWEZNQCLSA-N 301.415 2.808 0 40 DFAB Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 97111863 BFGHGTVCWONMKA-INIZCTEOSA-N 314.385 2.765 0 40 DFAB Cc1nnc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)o1 97112480 WGEKAWPXWMJQNS-MRVPVSSYSA-N 319.752 2.932 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 84335325 LLPUQQACYAXYMI-PHIMTYICSA-N 319.744 2.520 0 40 DFAB C[C@@H]1C[C@@H](c2ccsc2)CN1c1nnc(Cl)cc1C(N)=O 95406108 MAQZFTABZLUCBH-PSASIEDQSA-N 322.821 2.673 0 40 DFAB CCO[C@@H](C)c1nc(Cn2cccc3oc(=O)nc2-3)cs1 95469466 DVBQJMPTDZZVNJ-VIFPVBQESA-N 305.359 2.543 0 40 DFAB Cc1cc(C(=O)N(CCO)Cc2cccnc2)c(Cl)cc1F 95447925 VHZKSYDJAUILOM-UHFFFAOYSA-N 322.767 2.817 0 40 DFAB Cc1cc(=O)n([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1 95460296 ODEYWXHUPKOSCE-SECBINFHSA-N 314.263 2.968 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc(NC=O)cc1 73797133 KDAXSYKQDPJHIZ-LBPRGKRZSA-N 300.333 2.755 0 40 DFAB CCC1(CC)[C@H](NCc2nnc3n2CCCCC3)C[C@H]1OC 95987741 NZZQCROMYYXCSB-ZIAGYGMSSA-N 306.454 2.688 0 40 DFAB C[C@@]1(CNC(=O)N2CCC[C@@H](CO)C2)CCCc2ccccc21 95985322 YOMUPYJLABCGHD-BEFAXECRSA-N 316.445 2.695 0 40 DFAB O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCOc2ccncc21 75105467 WWDWNASWVUFPPE-QWRGUYRKSA-N 316.307 2.889 0 40 DFAB CCCn1cc(NS(=O)(=O)C[C@H](C)c2ccccc2)cn1 89642696 WDSREYITXAVXMB-ZDUSSCGKSA-N 307.419 2.839 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1cnn(C)c1 89913541 ZXUGFRQKGYEGFC-LLVKDONJSA-N 310.361 2.693 0 40 DFAB CCOC(=O)c1c(I)cnn1[C@@H](C)CC 408716884 SEQWZQRMDKKKOV-ZETCQYMHSA-N 322.146 2.635 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@H]2CC=CCC2)cc1 129450488 IVKLWLGLFIQPCD-HUUCEWRRSA-N 321.442 2.630 0 40 DFAB CC(=O)Nc1nc(SCc2ccc3c(c2)OCO3)ns1 35315244 IORVZZIESJLGND-UHFFFAOYSA-N 309.372 2.518 0 40 DFAB CN(CCC(=O)N1CCc2ccccc2C1)Cc1nccs1 189060103 IRFWAOXAMLFAAY-UHFFFAOYSA-N 315.442 2.550 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)n1 74368115 ZWGWEVMNGWBAIM-BONVTDFDSA-N 316.430 2.645 0 40 DFAB CN(C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1OC(F)F 71283295 YXHIKZSSDNCMID-WDEREUQCSA-N 313.300 2.608 0 40 DFAB CCCN1CCN(C(=O)c2cc(C)on2)c2cc(F)ccc21 189967879 DNRQFYUJOSLLQT-UHFFFAOYSA-N 303.337 2.999 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(Cl)c2)c1 72227753 UIHPIQIYRYEZAA-CABCVRRESA-N 302.761 2.764 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(=O)O)[C@@H]2c2ccccc2)cc1 218051956 PXBKHZFENFUAOZ-HRCADAONSA-N 316.378 2.636 0 40 DFAB COCCS(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C 77966358 ZQJGAFJQGQBFSD-UHFFFAOYSA-N 323.418 2.519 0 40 DFAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 138994500 UMHSHBOPAGQZQU-CQSZACIVSA-N 315.369 2.658 0 40 DFAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@@H](C)CCO)ccc21 222539393 FKWQRRZOVBQFAP-JTQLQIEISA-N 309.797 2.771 0 40 DFAB Cc1ccc(-c2nnc([C@H]3CCN(c4ncccn4)C3)o2)cc1 49171303 MBLPJWSDEYCKJB-AWEZNQCLSA-N 307.357 2.829 0 40 DFAB biogenic,in-vitro COc1ccc(-c2ncc(C(=O)O)c(NC(C)C)n2)cc1OC 49469504 CHEDSNVMEJRGRY-UHFFFAOYSA-N 317.345 2.679 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1C 225884239 CBMMTAXJZGLOSO-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB C[C@H](NC(=O)CCOC1CCOCC1)c1ccc2c(c1)CCC2 97227474 CNISKOQBWCABMS-AWEZNQCLSA-N 317.429 2.938 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@]2(CCCC(=O)N2C)C1 96229706 MAIOUUMKRADKDP-MRXNPFEDSA-N 306.431 2.674 0 40 DFAB O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cnc[nH]1 96445621 FGTFEJWSDOUTLV-UHFFFAOYSA-N 312.304 2.775 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccs1)CC2 96196839 YXBCQVVMGJNXBJ-UHFFFAOYSA-N 318.490 2.843 0 40 DFAB Cc1n[nH]c(SCC(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H]2C)n1 96444737 GIWUTVPTZOGVFY-VZJVUDMVSA-N 316.430 2.719 0 40 DFAB CC(C)n1cnc(S(=O)(=O)Nc2ccc3ncccc3c2)c1 95447438 SWCHKDUSJOYPRS-UHFFFAOYSA-N 316.386 2.813 0 40 DFAB COC(=O)[C@@H](NCc1cccnc1OC)c1ccccc1Cl 96410389 CRUVPHMCRLNCHL-AWEZNQCLSA-N 320.776 2.748 0 40 DFAB CC(C)n1cc(NC(=O)N2CCN(c3ccccc3)CC2)cn1 96447255 KVTPZMZYBKGVDA-UHFFFAOYSA-N 313.405 2.818 0 40 DFAB Cc1nonc1NC(=O)c1ccnc(OC2CCCCC2)c1 93223307 BUTNTLVRKCYIAU-UHFFFAOYSA-N 302.334 2.737 0 40 DFAB CC(C)N(C)C[C@@H]1CCC2(CCN(c3nncs3)CC2)CO1 96224954 IFZZSKKIBVJCRC-AWEZNQCLSA-N 324.494 2.644 0 40 DFAB CCc1nccn1[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1 433773240 FOOCCYFPJNPEFZ-ZDUSSCGKSA-N 310.405 2.867 0 40 DFAB c1cc(N2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)ncn1 96040327 WFXUVGWGGVDIBB-FUHWJXTLSA-N 317.433 2.669 0 40 DFAB Cc1nc([C@@H](N[C@H]2CCCOC2)c2ccc(Cl)cc2)no1 96494970 ZTLDXUQIBVSENL-KBPBESRZSA-N 307.781 2.889 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@H]1COCCO1 96408114 YSDGKLMAYZUTKX-LSDHHAIUSA-N 317.410 2.564 0 40 DFAB C[C@H](OC(=O)c1ccccc1Cn1cncn1)c1cccnc1 96442126 XCVVJGDBKYZRIA-ZDUSSCGKSA-N 308.341 2.639 0 40 DFAB CC(C)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 245225177 PAXMMGOYFHCOLZ-SFHVURJKSA-N 317.477 2.528 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)C3=Cc4ccccc4OC3)C2)n1 257332061 XVOFHWMDZQYKJA-AWEZNQCLSA-N 309.369 2.510 0 40 DFAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1c(F)cccc1Cl 252508330 XKKXYRUYFAAUMM-IUCAKERBSA-N 301.745 2.797 0 40 DFAB CCCc1ncc(CN2CCO[C@H](c3ccc(C)cn3)C2)cn1 257228261 FTEBEXXTVQDKKM-KRWDZBQOSA-N 312.417 2.706 0 40 DFAB CCCn1ccnc1CN1CCC[C@H](Cc2[nH]ncc2C)C1 257283039 OWNYNEPMYOUXPV-OAHLLOKOSA-N 301.438 2.779 0 40 DFAB O=C(NCCCc1nnc2n1CCCC2)Nc1ccc(F)cc1 272588942 NQBINBWNMPUZOA-UHFFFAOYSA-N 317.368 2.508 0 40 DFAB CN1CCC(NC(=O)NCC2(Cc3ccccc3)CCC2)CC1 83877582 ONTDIJQJVXZAPT-UHFFFAOYSA-N 315.461 2.793 0 40 DFAB Clc1ccc(-c2nc([C@@H]3COCCN3)no2)c(Cl)c1 96001428 YAPBXZHYVDJPGC-JTQLQIEISA-N 300.145 2.704 0 40 DFAB CCCCOCCOCCOCCOc1ccccc1OC 5420288 MQOUCSHRIHGQEZ-UHFFFAOYSA-N 312.406 2.924 0 40 DFAB Cc1ccc2c(c1)cc(C)c1nn(Cc3cccnc3)c(=O)n12 12117717 AEHFRMSKMFFRJB-UHFFFAOYSA-N 304.353 2.709 0 40 DFAB COC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 14673977 SMCOVEOKHFPWEC-LLVKDONJSA-N 313.353 2.689 0 40 DFAB O=C(NCc1nnc(-c2ccncc2)o1)c1cccc(Cl)c1 19293350 FCDCRQFEOXXSMZ-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB CCc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)cc1 5257700 SSQCHFUHXOKCFP-HNNXBMFYSA-N 304.390 2.517 0 40 DFAB Cc1ccccc1N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 7139361 OLVRKLNBINFDSH-UHFFFAOYSA-N 320.396 2.834 0 40 DFAB Cc1cc(C)nc(C(=O)Nc2nc(-c3ccccn3)cs2)n1 1888900873 BZOSKLAMFVIQGB-UHFFFAOYSA-N 311.370 2.864 0 40 DFAB COCCn1cnc2c(Nc3ccc(Cl)cc3)ncnc21 1888913744 YJKBESBUHIQZHW-UHFFFAOYSA-N 303.753 2.870 0 40 DFAB CN(Cc1ccccc1F)C(=O)c1ccc(NC(N)=O)cc1 30898724 FUBDRLARSPHEFR-UHFFFAOYSA-N 301.321 2.589 0 40 DFAB Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1C 4121175 MCLLFZLJVNDSRT-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB O=C(Nc1ccccc1)Nc1nc(C(=O)NC2CC2)cs1 9317480 XBVUBSPDUXKQLP-UHFFFAOYSA-N 302.359 2.679 0 40 DFAB CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729681 UDYFTWYKMMUJGC-NUEKZKHPSA-N 323.820 2.996 0 40 DFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C1CCOCC1 585148220 RRMCRKZCWCBVCQ-MRXNPFEDSA-N 315.369 2.523 0 40 DFAB c1ccc2c(c1)CCN2c1ncnc2c1ncn2C[C@H]1CCCO1 2298092173 VPCYDSSQQUUTGC-CQSZACIVSA-N 321.384 2.700 0 40 DFAB CC(C)OCCCn1cnc2c([nH]c3ccc(F)cc32)c1=O 2309981 NZRRVCHQJIUGCX-UHFFFAOYSA-N 303.337 2.832 0 40 DFAB Cn1cnnc1-c1cccc(NC(=O)Cc2cccc(F)c2)c1 31125247 YHUNOKQQBDMOMV-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 31566527 WEVVTVYEQIBTAE-INIZCTEOSA-N 313.401 2.686 0 40 DFAB Cc1c(C(=O)N2CCOC[C@H]2C)cnn1-c1cccc(Cl)c1 40509685 IROLIKIDCCAGKG-LLVKDONJSA-N 319.792 2.695 0 40 DFAB CC(C)CNC(=O)c1ccccc1I 288495 BXKRHVRRUJWVKY-UHFFFAOYSA-N 303.143 2.677 0 40 DFAB Fc1ccc([C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)cc1 29659299 RYTDKUZZNHIIQL-AWEZNQCLSA-N 303.337 2.660 0 40 DFAB Cc1cc(C(=O)NCc2ccc(Br)c(F)c2)no1 69743061 VTPNEFWITNAOJM-UHFFFAOYSA-N 313.126 2.815 0 40 DFAB Cc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCC(C)C 1341834 SNQDYKAGSFAUGJ-OAHLLOKOSA-N 303.406 2.764 0 40 DFAB COc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)c(O)c1 29923037 BYTZWSXJACEKBG-UHFFFAOYSA-N 323.352 2.898 0 40 DFAB COC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2 4313271 HFPLXUAQRXAFES-UHFFFAOYSA-N 319.338 2.558 0 40 DFAB CCc1nc2cccnc2n1CCNC(=O)NC1CCCCC1 4907019 DWSLKAYLIIVXLY-UHFFFAOYSA-N 315.421 2.626 0 40 DFAB Cc1sc2nc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2c1C 6187959 YTQRPAXRGHWTIQ-UHFFFAOYSA-N 300.339 2.997 0 40 DFAB COC(=O)c1cccc(COC(=O)c2n[nH]c3ccccc23)c1 6370995 YUWFCSUFVGFTLG-UHFFFAOYSA-N 310.309 2.707 0 40 DFAB O=C(Nc1c(F)c(F)cc(F)c1F)c1cc2ncccn2n1 2797011 WRUILYMNTMALRG-UHFFFAOYSA-N 310.210 2.538 0 40 DFAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 12123028 JXQGMHSCKRWODJ-LBPRGKRZSA-N 310.353 2.991 0 40 DFAB CC(C)CCNC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 12168282 JYYFQVLZUDVBEJ-UHFFFAOYSA-N 314.385 2.730 0 40 DFAB COc1ccc2cc(S(=O)(=O)n3ccc(C)n3)ccc2c1 8714874 VJCWUYPFSVTWKS-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCCO1 22835771 OKXWGFKTZYFRGO-AWEZNQCLSA-N 302.399 2.648 0 40 DFAB O=C(NCc1cccnc1Oc1cccc(F)c1)NC1CC1 47617023 BKMWNHFHENJMGB-UHFFFAOYSA-N 301.321 2.975 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nccn1Cc1ccccc1 47709034 CMAJCPUMRUCMBW-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB C[C@@H](O)CN(C)Cc1ccc(Br)c2cccnc12 97085966 YYADRGRMJINQLV-SNVBAGLBSA-N 309.207 2.810 0 40 DFAB Cc1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)cc(=O)[nH]1 97083139 JZTRLYUXAUJVOT-GFCCVEGCSA-N 312.247 2.539 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccco2)s1 1277682 MAXDMNFGKOMBQA-UHFFFAOYSA-N 319.317 2.955 0 40 DFAB Cc1nc(N[C@@H](Cc2ccccc2)C(N)=O)c2ccsc2n1 55253663 PUMYUHNEAOJXIU-ZDUSSCGKSA-N 312.398 2.508 0 40 DFAB C[C@H](CNC(=O)c1cccs1)N1CCc2ccccc2C1 25633751 RTBKWKCVYLUTMD-CYBMUJFWSA-N 300.427 2.925 0 40 DFAB CCCS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 57003486 NQVSIMSQJQSVGL-UHFFFAOYSA-N 304.415 2.997 0 40 DFAB CC(C)CN1CCC(NC(=O)Nc2ccccc2N(C)C)CC1 44080737 HVZCEGQFBQUTPU-UHFFFAOYSA-N 318.465 2.995 0 40 DFAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)[C@H]1CCCO1 26400085 MMCWTSQOVQTHRJ-ZYHUDNBSSA-N 305.403 2.663 0 40 DFAB CCCCS[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1 57442004 IYNKWGCZWRFMKT-ZDUSSCGKSA-N 322.474 2.926 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@H]1CCCO1 57420791 FVVOUAMMSYYRCI-QWHCGFSZSA-N 313.401 2.976 0 40 DFAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 26790795 YCGMXKGBQCRDMC-QGZVFWFLSA-N 323.396 2.889 0 40 DFAB O=C(CCc1ccc(Cl)s1)NCCCN1CCCC1 44355240 KXOSGOSXAUKUCF-UHFFFAOYSA-N 300.855 2.936 0 40 DFAB Cc1nnsc1C(=O)Sc1n[nH]c(-c2ccc(F)cc2)n1 27788982 GZEAEVDUSHKAFG-UHFFFAOYSA-N 321.362 2.703 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1ccccc1Br 3292715 QSLKIBSUAAWUHO-UHFFFAOYSA-N 314.179 2.521 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)N(C)C)C(C)C)n2)cc1 57811225 UQQZNCDTULWXLR-CYBMUJFWSA-N 318.446 2.985 0 40 DFAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 58159288 JLLRKIDOKQJLFP-ZDUSSCGKSA-N 316.426 2.842 0 40 DFAB O=C(/C=C/c1cccc2cccnc12)N[C@H]1CCN2CCCC[C@@H]12 58299108 NJCHASFWKXDGDF-VCVRMXLYSA-N 321.424 2.991 0 40 DFAB COC(=O)CCCC(=O)Nc1ccc(Br)cc1 2147727 OBXZKBKCUDPREG-UHFFFAOYSA-N 300.152 2.731 0 40 DFAB COc1ccc(Cl)cc1CNC(=O)Nc1cc(C)nn1C 44944989 JISHBKDKYPCSJL-UHFFFAOYSA-N 308.769 2.712 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1nc2ccccc2[nH]1 10356622 CCPIXZCKFUSHHQ-CHWSQXEVSA-N 300.406 2.983 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@H]1CNc2ccnn2C1 58344815 YQBFNYNHQQJNHE-KBPBESRZSA-N 300.406 2.593 0 40 DFAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 2298690 XVXFFWLRHWKGCJ-SECBINFHSA-N 315.200 2.873 0 40 DFAB Cc1cc(CNC(=O)CNC(=O)Nc2ccccc2)ccc1F 12768702 STPFAGJEDNZDRV-UHFFFAOYSA-N 315.348 2.572 0 40 DFAB COC[C@@H](O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1 48343321 WDHURWBIHSXZFX-HNNXBMFYSA-N 323.396 2.740 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccccc2O)CC1 48356413 PARDZBRNWRKBKB-LBPRGKRZSA-N 314.389 2.536 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)s1 12999599 PJADYODIJJTXEP-NSHDSACASA-N 319.386 2.535 0 40 DFAB CCC[C@H]1NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 12938419 IITBHXBKUUJOEU-GFCCVEGCSA-N 317.320 2.701 0 40 DFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 13011521 QPPKZMBEYODCRR-HNNXBMFYSA-N 316.401 2.982 0 40 DFAB CNC(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1 8754931 LPSHUQPAKZKCLY-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB COc1ccc([C@@H]2c3c(noc3C)C[C@@](C)(O)[C@H]2C(C)=O)cc1 4311724 GLADHIRRYCIFRN-FGTMMUONSA-N 315.369 2.636 0 40 DFAB O=C(NCCOc1ccccc1)c1cnc(-c2ccccc2)nc1 65592747 VRVKQOGGGAFLKO-UHFFFAOYSA-N 319.364 2.952 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nnc(-c2ccccc2)s1 14135968 PFXXXCSQMDWYPW-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB O=c1c2cc(Cl)ccc2ncn1Cc1ccc2c(c1)OCO2 14241928 QEWSRRINIXPNEV-UHFFFAOYSA-N 314.728 2.827 0 40 DFAB COc1ccc([C@H]2CCCN2c2ncnc3c2cnn3C)cc1 14219095 OUURASLOQHWMSQ-OAHLLOKOSA-N 309.373 2.713 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 7318828 LXRZTXGTBIXPCG-SNVBAGLBSA-N 324.837 2.928 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 67800485 HPOQKPLYGBUYQW-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1nnc(CC)s1 7467916 CKHJZKURWUKYAH-JTQLQIEISA-N 320.418 2.938 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1Cl 7653816 NGODVCXJPPMQLU-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCCC2)c1C 20460737 SSQHOUYWKUJZMC-MRXNPFEDSA-N 304.434 2.673 0 40 DFAB CCn1nc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2c1=O 8133421 HGMUUASTWGFNFY-BETUJISGSA-N 313.401 2.535 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2noc3ccccc23)c1 70038479 CMFNILQYFPLLQZ-AWEZNQCLSA-N 324.384 2.566 0 40 DFAB Cn1ccc(NC(=O)C(=O)c2ccc(-c3ccccc3)cc2)n1 70040288 GYAHPJBBNQCYHJ-UHFFFAOYSA-N 305.337 2.909 0 40 DFAB Cn1cc(-c2noc(Cc3c[nH]c4ccccc34)n2)ccc1=O 96101785 TVTAOJOYXSSRDZ-UHFFFAOYSA-N 306.325 2.507 0 40 DFAB c1cnc(Oc2ccc(CN3CC[C@]4(CCOC4)C3)cc2)cn1 93820698 BEQLBVUVTRLPDB-SFHVURJKSA-N 311.385 2.881 0 40 DFAB Cc1cnn(C[C@@H]2CN(Cc3ccc(Cl)s3)CCO2)c1 69451564 ZYRKPNQUKVBMRI-LBPRGKRZSA-N 311.838 2.807 0 40 DFAB COc1cc(NC(=O)[C@H]2CC=CCC2)c(C(=O)O)cc1OC 8429604 AHIANBAKQNGZDZ-JTQLQIEISA-N 305.330 2.697 0 40 DFAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C)Cc1ccco1)C2 69517525 RRXLRHVKXRGWGA-JSGCOSHPSA-N 315.369 2.587 0 40 DFAB COCCN1CCN(Cc2coc(-c3cccs3)n2)C[C@H]1C 72279848 MTESBNQCBMHUIL-CYBMUJFWSA-N 321.446 2.556 0 40 DFAB O=C(CCc1ccsc1)NCCc1ccc2c(c1)OCCO2 9532721 IOQFHEJCNVPXRY-UHFFFAOYSA-N 317.410 2.811 0 40 DFAB C[C@H]1CN(C2CCN(c3nc4ccccc4o3)CC2)CCO1 71821716 CMBXHWBABNDXGW-ZDUSSCGKSA-N 301.390 2.517 0 40 DFAB NC(=O)CCCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 84367680 PHNOWIGYLPWGAH-UHFFFAOYSA-N 322.836 2.825 0 40 DFAB CCOc1c(F)cccc1C(=O)N(C)c1cccnc1OC 78949604 LDUPTUYZUWGDRQ-UHFFFAOYSA-N 304.321 2.905 0 40 DFAB COc1ccc(-c2nc(Cn3ccc4occc4c3=O)no2)cc1 95394272 IJYORMYKEGFNTF-UHFFFAOYSA-N 323.308 2.701 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)c1[nH]nc2c1CCCC2 95473328 PLWKMHIYSNHABA-UHFFFAOYSA-N 301.394 2.935 0 40 DFAB Cc1cnc(SC[C@@H](O)COc2cccc3[nH]ccc23)nc1 95442885 ZBPGKUYJYBFBJD-LBPRGKRZSA-N 315.398 2.798 0 40 DFAB CCN(CC)[C@H](CNC(=O)C[C@@H](O)C(C)C)c1ccccc1 95432630 NFDUABVSDRPEEQ-IAGOWNOFSA-N 306.450 2.593 0 40 DFAB Cc1cc(C)n(-c2cccc(C(=O)NCC3CCOCC3)c2)n1 79502033 LTVBCXPKEAWLIM-UHFFFAOYSA-N 313.401 2.646 0 40 DFAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(C)C1CCOCC1 74858664 BVLJWKFQZBHNPB-OAHLLOKOSA-N 320.433 2.891 0 40 DFAB CC(=O)N(C)Cc1ccccc1NCc1noc(C2CC2)n1 86199499 NUZOHESCMPEAFY-UHFFFAOYSA-N 300.362 2.537 0 40 DFAB Cc1nc(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)no1 89718378 OGTTZNOLBGHRNN-BJOHPYRUSA-N 318.352 2.640 0 40 DFAB CCNC(=O)c1cc(NC(=O)c2ccccn2)nc2ccccc12 89977497 HZUUMJYHMCWTOK-UHFFFAOYSA-N 320.352 2.632 0 40 DFAB CCOC(=O)C1(NCc2cccc(NC(C)=O)c2)CCCC1 89978142 HWBMQEQOQGUNOL-UHFFFAOYSA-N 304.390 2.611 0 40 DFAB Cc1nc(SCC(=O)Nc2ccccn2)nc2c1CCCC2 409275537 VNCLWBVFDJDNKL-UHFFFAOYSA-N 314.414 2.790 0 40 DFAB Cc1cc(-c2nn3c(-c4ccccc4F)nnc3s2)[nH]n1 22504126 BQKCKXFTRBJDKR-UHFFFAOYSA-N 300.322 2.690 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2F)CC1 35605898 QHULRHKHBHDEIS-UHFFFAOYSA-N 308.353 2.695 0 40 DFAB CC[C@@H](C)OCc1nn(CC)cc1I 408716723 QFUTZWYKQSTDAX-MRVPVSSYSA-N 308.163 2.823 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccncc1Cl)C1CCCCC1 73124326 CDXIPBGRHUZQIT-AWEZNQCLSA-N 324.808 2.977 0 40 DFAB CC[C@@H](C(=O)N1CC[C@@H](Oc2cnsn2)C1)c1ccccc1 669512554 GENDATRIILETHK-ZIAGYGMSSA-N 317.414 2.712 0 40 DFAB Cc1ncsc1C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 187830629 QVLHDPBVRMMEAK-SKDRFNHKSA-N 322.352 2.665 0 40 DFAB CCOC(=O)CCSc1nc2sc3c(c2c(=O)[nH]1)CCC3 36644081 RGFPSEKQFBKDBB-UHFFFAOYSA-N 324.427 2.519 0 40 DFAB CCCN1CCO[C@H](COc2cccc(Br)c2)C1 217497992 BLZHQVBEYZCRFV-AWEZNQCLSA-N 314.223 2.939 0 40 DFAB c1ccc(Cc2noc(C3CN(Cc4cccnc4)C3)n2)cc1 75156422 TUDTXBSMUYMPMD-UHFFFAOYSA-N 306.369 2.655 0 40 DFAB C[C@@]1(C(=O)NCc2cccs2)Sc2ccccc2NC1=O 40774139 HVKFANPIZYEPMP-HNNXBMFYSA-N 318.423 2.867 0 40 DFAB C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1ccccc1 42645673 SUOZOLTZOSWKJK-LBPRGKRZSA-N 300.333 2.684 0 40 DFAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(CC)CC1 44849095 SKCKBTNSOQZMSW-CQSZACIVSA-N 310.825 2.662 0 40 DFAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 41123438 MDYNTNIFSXIYLS-CHWSQXEVSA-N 307.394 2.501 0 40 DFAB C[C@@H]1CCCN(Cc2nccn2C)[C@@H]1CNC(=O)OC(C)(C)C 81518493 DAVYTKKMYOFHQI-ZIAGYGMSSA-N 322.453 2.545 0 40 DFAB CCC(CC)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224395142 WTWCYECLRJCPHD-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccsc2)n1 75170648 BUUYBVANKGVUPS-UHFFFAOYSA-N 315.320 2.838 0 40 DFAB Cc1cccnc1NC(=S)NCCN(C)c1ccccc1 225572421 IBZDJLJXQKFCEF-UHFFFAOYSA-N 300.431 2.813 0 40 DFAB CCCCC(=O)Nc1cnc(N2CCCCC2)nc1N(C)C 224354287 TWJNQIPTROJRFG-UHFFFAOYSA-N 305.426 2.662 0 40 DFAB C[C@]1(NC(=O)c2cnc(-c3ncccn3)s2)CC=CCC1 332651135 KDWXXJOZNVJBLT-HNNXBMFYSA-N 300.387 2.829 0 40 DFAB COCCn1nc(C)c(NC(=O)N(C)Cc2ccoc2C)c1C 90145522 OMUSPFFMYHGEFO-UHFFFAOYSA-N 320.393 2.712 0 40 DFAB CC[C@@H](Oc1ccccc1Cl)C(=O)NN1CCCCC1=O 96451225 OHCSYNYFZFXDGX-GFCCVEGCSA-N 310.781 2.541 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccnc(-c3nc(C)cs3)c2)C1 257332815 XYUFJUCTQRRUEH-CQSZACIVSA-N 301.415 2.924 0 40 DFAB Cc1nc([C@H]2CCCN2Cc2ccc(F)cn2)cc(N(C)C)n1 257213505 CHVNAEYIFUZYPT-MRXNPFEDSA-N 315.396 2.722 0 40 DFAB Cc1csc(NCc2cn(-c3ccccc3C(=O)O)cn2)n1 257237203 HFODHPHQEFZJBM-UHFFFAOYSA-N 314.370 2.948 0 40 DFAB CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)[C@H]1CCCO1 252486552 LIACGMAMMXXMHF-SOUVJXGZSA-N 320.437 2.831 0 40 DFAB CC[C@@H]1CCCCN1c1nn(-c2ccc(F)cc2)nc1C(=O)O 256048044 QIWJRDVDBDMWET-GFCCVEGCSA-N 318.352 2.874 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 270778354 GRQRFKBKWHDBCA-JKSUJKDBSA-N 319.449 2.825 0 40 DFAB O=C(Nc1cnn(C2CCOCC2)c1)OCc1ccccc1 96384241 MDAGPKIUECSBPJ-UHFFFAOYSA-N 301.346 2.983 0 40 DFAB C[C@@H]1CCCc2ncc(C(=O)Nc3cccc(CC(=O)O)c3)n21 652062498 MBGKSXBAQDZSTO-LLVKDONJSA-N 313.357 2.660 0 40 DFAB Cc1ccc(CN2CC[C@](O)(COc3ccccc3C)C2)cn1 585275940 GUVJTTQSVLUJMA-LJQANCHMSA-N 312.413 2.714 0 40 DFAB CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCCN2C)CC1 585100566 NSVRAHTXLAYRKP-INIZCTEOSA-N 322.478 2.752 0 40 DFAB CCOc1ccc(CCC(=O)NCc2ccnc(OC)c2)cc1 55184953 BKXQGFJLPIYSBY-UHFFFAOYSA-N 314.385 2.738 0 40 DFAB COc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1O 55172174 ASXKWNOFJRNKQF-UHFFFAOYSA-N 323.396 2.935 0 40 DFAB CCCCn1nc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1=O 56033354 LESPCJSUKVQNLO-INIZCTEOSA-N 317.433 2.838 0 40 DFAB c1ccc(COc2cccc(CNCCn3cccn3)c2)nc1 69946774 KRHPMZCTLFNMKC-UHFFFAOYSA-N 308.385 2.647 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NCCn1cccn1 189947598 OYVUDLMUYIYRLX-IAGOWNOFSA-N 312.461 2.629 0 40 DFAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C2CCN(C(C)C)CC2)C1 1614485329 WIIOPBRIUKJWGN-IEBWSBKVSA-N 321.509 2.582 0 40 DFAB COc1cc(OC)cc(OCC(=O)Nc2ccc(F)c(F)c2)c1 5476687 OSZKCHGHYPVSPG-UHFFFAOYSA-N 323.295 3.000 0 40 DFAB Fc1ccc(NC(=S)N2CCN(Cc3ccco3)CC2)cc1 13769438 INQCKQGFYBNOQD-UHFFFAOYSA-N 319.405 2.933 0 40 DFAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(S)o1 16039364 DJECSNYJGIYGKS-SSDOTTSWSA-N 305.425 2.677 0 40 DFAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COC1CCCCC1 10434238 CXKSGCHNOOWHFK-HNNXBMFYSA-N 313.482 2.711 0 40 DFAB O=C(CCSc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253403188 PMHBJSVEKPXQPK-VNQPRFMTSA-N 321.442 2.622 0 40 DFAB O=C(O)c1c(C(F)(F)F)nc2cccc(Br)n12 1848350355 ZVKXKFKCXVHKCR-UHFFFAOYSA-N 309.041 2.814 0 40 DFAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 1565543135 ANEFQCKZHXZRDR-VQIMIIECSA-N 314.429 2.682 0 40 DFAB Cc1cs/c(=N\c2ccc(Cl)cc2)n1N1CCOCC1 7572755 WWCASPCRTIGZHG-PEZBUJJGSA-N 309.822 2.712 0 40 DFAB COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)cc1 618257183 QTKXGTIYUCPPDS-OAHLLOKOSA-N 316.426 2.761 0 40 DFAB C[C@@H](CNC(=O)c1csc(-c2ccco2)n1)N1CCCC1 40092393 HQIZKZPUOMACGJ-NSHDSACASA-N 305.403 2.617 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)c1ccccc1 40286171 ZAPVIAYNLDYAAN-GOSISDBHSA-N 308.381 2.800 0 40 DFAB CCn1cc(C(=O)N(C)CC(=O)NC(C)(C)C)c2ccccc21 40468196 VBOSGBUFVPWRKL-UHFFFAOYSA-N 315.417 2.648 0 40 DFAB CN(c1ccccc1)S(=O)(=O)C[C@]12CC[C@@H](CC1=O)C2(C)C 100759837 OPWRQUSOICEUQL-SUMWQHHRSA-N 321.442 2.848 0 40 DFAB CCOC(=O)c1ccc(-c2coc3cc(O)cc(O)c3c2=O)o1 42249 SEIGKBPYCQBCBJ-UHFFFAOYSA-N 316.265 2.641 0 40 DFAB biogenic CCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)(C)C)cc1 514835 SUGRSSTUJAXNSG-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB COc1ccc(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1 1328453 SHXCDTLPCRCRDV-LBPRGKRZSA-N 311.337 2.692 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104634 OFAZPSYXUKIJIK-AWOFKVEHSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro CCCc1nnc(SCC(=O)Nc2ccccc2)n1CC 7605320 PDXUFXLPFQEJMN-UHFFFAOYSA-N 304.419 2.981 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1nn2cccnc2c1Cl 2790801 OQKYGFHZPBKZQM-UHFFFAOYSA-N 308.675 2.913 0 40 DFAB Cc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2)cc1 8306381 KUHUMJZGDGXGBW-INIZCTEOSA-N 313.353 2.706 0 40 DFAB CC1(C)N=C(Oc2ccc(Cl)cc2Cl)NC(=S)N1 8655312 XTIBITFDZPNSIV-UHFFFAOYSA-N 304.202 2.942 0 40 DFAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102971679 APMSSFKHMBFNQG-SIXLDLHFSA-N 317.502 2.942 0 40 DFAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](/C=C/c1ccccc1)CC2=O 12321215 IZWSJSDWNOQUBB-SBDDDAINSA-N 323.348 2.620 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)n1 54121141 JOEZHFFDJMRRHV-LBPRGKRZSA-N 318.377 2.818 0 40 DFAB CCCOc1cc(C)ccc1NC(=O)NCCn1ccnc1 47765912 DYSYVSIBQIAZQN-UHFFFAOYSA-N 302.378 2.802 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c(O)c1 24183143 BMAOKISMEXQSMW-VIFPVBQESA-N 303.280 2.815 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)OCC(F)(F)F 47843683 NFRIQXBNNFDOKH-UHFFFAOYSA-N 304.224 2.754 0 40 DFAB in-vitro Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107451359 CJIZLHVZHPLBBP-YHEBVYOMSA-N 301.434 2.991 0 40 DFAB CC(C)NC(=O)N(C)c1ccc(OCCn2cccn2)cc1 78757896 BGOXLDBRLXKTDU-UHFFFAOYSA-N 302.378 2.516 0 40 DFAB COc1cccc2cc(CNC(=O)N[C@H]3C[C@H]4CC[C@H]3O4)oc12 108356181 DEDBRFFVPBHGTE-KWCYVHTRSA-N 316.357 2.561 0 40 DFAB COc1ccc(OC)c(NC(=O)n2ccc(C(F)(F)F)n2)c1 27930798 PTGYRAQYRMVMMO-UHFFFAOYSA-N 315.251 2.999 0 40 DFAB COCCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cn1 58184382 ZCYQKAZEPCHCFG-UHFFFAOYSA-N 311.341 2.840 0 40 DFAB Cc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)c1 58265568 DZYFSPCNRJDFEL-ZDUSSCGKSA-N 314.351 2.917 0 40 DFAB O=C(O)CCCCCNC(=O)c1ccccc1Br 2281064 HYODUSKFLIYPKG-UHFFFAOYSA-N 314.179 2.824 0 40 DFAB Cc1nc(CNC(=O)N2CCC[C@@H]2c2ccncc2)cs1 45342186 DSIAXRBWGREEJS-CQSZACIVSA-N 302.403 2.893 0 40 DFAB Cn1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1=O 45468206 XCXVTGYJYSJBGO-UHFFFAOYSA-N 300.358 2.563 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccccc1)c1ccc(F)cc1 3398610 ILVOBPCYIMTEFM-LBPRGKRZSA-N 301.317 2.860 0 40 DFAB O=C1CCCN1c1ccc(-c2nnc(-c3ccncc3)o2)cc1 48237719 UVASACOKGMKJME-UHFFFAOYSA-N 306.325 2.925 0 40 DFAB C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1cccs1 45867212 ZOVVCPLSWMGHKO-LLVKDONJSA-N 319.434 2.626 0 40 DFAB O=C(COc1ccc(F)cc1Cl)Nn1cnc2ccccc21 16491042 IXVWCTDMHNRHOC-UHFFFAOYSA-N 319.723 2.978 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCCO2 12981596 IQXDOZDLRYYUEN-UHFFFAOYSA-N 317.772 2.970 0 40 DFAB NC(=O)c1ccc(OCC(=O)NCC2CCCCCCC2)cc1 64301461 JZMOLUOXNZPWIW-UHFFFAOYSA-N 318.417 2.641 0 40 DFAB C[C@H](OCC1CC1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 64739286 DGQBGRSYRQXNLT-JCURWCKSSA-N 321.392 2.977 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 6379672 NMNAIMBXFKAHQX-OAHLLOKOSA-N 316.332 2.732 0 40 DFAB CC(C)Sc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 65592300 KWZHHZRJZMSZGM-ZDUSSCGKSA-N 310.467 2.948 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)cn1 69917828 WDVUPYVJKMYWMA-INIZCTEOSA-N 306.369 2.946 0 40 DFAB CCn1c(-c2ccccc2)nn(CN2CCO[C@@H](C)C2)c1=S 14137959 IKIZQLNHFYWHCF-ZDUSSCGKSA-N 318.446 2.779 0 40 DFAB CC(=O)Nc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1 8720207 JVYQFNJWYROEAR-UHFFFAOYSA-N 308.341 2.703 0 40 DFAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(=O)[nH]n1 9315623 DDNDGOAZBAHMDS-UHFFFAOYSA-N 317.654 2.694 0 40 DFAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc(F)cc1 9365351 BKTNRYOEIFWUFQ-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB Cc1cc(C(=O)Nc2ncc(C(N)=O)cc2Cl)ccc1F 72286440 ZOQVCRDWXFIRHI-UHFFFAOYSA-N 307.712 2.534 0 40 DFAB COc1ccccc1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C 9459022 DFZKDPLRVIWXIX-UHFFFAOYSA-N 314.385 2.815 0 40 DFAB Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cnccc2C)o1 84250976 CBOMQUCZBGVIEX-CQSZACIVSA-N 313.357 2.594 0 40 DFAB CCN(Cc1ccc(C(=O)N(C)C)cc1)Cn1cc(Cl)cn1 71796140 FIHNFICWYXQNMT-UHFFFAOYSA-N 320.824 2.718 0 40 DFAB CC[C@@H]1CN(CCCOc2ccc(F)cc2)CCN1CCOC 71864811 LPCNZJDEXVHERH-QGZVFWFLSA-N 324.440 2.637 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CC[C@@H]2OCCC[C@@H]2C1 97140799 XUCGCYAIKDWRHE-HIFRSBDPSA-N 304.390 2.652 0 40 DFAB C[C@H]1CN(c2ccc(C(=O)OCc3ccoc3)cn2)C[C@H](C)O1 96500221 XULHDCNWQQNJBS-STQMWFEESA-N 316.357 2.645 0 40 DFAB CC(C)C[C@H](CCO)CNC(=O)c1cc(F)c(F)c(F)c1 84457028 HAHMAULZOXCDRQ-JTQLQIEISA-N 303.324 2.878 0 40 DFAB CCN(c1cccc(CO)c1)S(=O)(=O)c1cccc(F)c1C 95404023 HSPWXAYJTRNMJH-UHFFFAOYSA-N 323.389 2.842 0 40 DFAB Cc1cc(C(=O)N2CCCN(C3CCOCC3)CC2)c(C)s1 95960639 VOSSPJCFUPRLFR-UHFFFAOYSA-N 322.474 2.692 0 40 DFAB CC[C@@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccncc1 74441168 POWUNZYVMZPXGX-GFCCVEGCSA-N 323.347 2.966 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnc(C(C)C)o1 75132500 JWHSZEWDYOGUKH-ZDUSSCGKSA-N 303.410 2.880 0 40 DFAB Cn1ncc(Nc2ncncc2Br)c1C(F)F 89741047 LLUCJVARKNQWMW-UHFFFAOYSA-N 304.098 2.654 0 40 DFAB CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@H](C)[S@@](C)=O 89888058 JVOQSZOXOIFHDD-FVINQWEUSA-N 317.838 2.624 0 40 DFAB O=C(Cc1noc(C2(c3ccccc3)CC2)n1)NC1CCCC1 89827711 KYKQKIKOOWWORE-UHFFFAOYSA-N 311.385 2.751 0 40 DFAB CS[C@@H](C)CNC(=O)c1cnn(C(C)C)c1C(F)(F)F 89893830 PHTUIJCDSOSBDR-QMMMGPOBSA-N 309.357 2.964 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1scnc1C 89948796 XORZVRHAVPCEGP-GXTWGEPZSA-N 307.463 2.578 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@H]1OC 529032290 SOGKGTJBGYUQGN-IJLUTSLNSA-N 305.365 2.511 0 40 DFAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 78234658 WINKWBWFCMKCNT-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB N[C@H](c1ccccc1)c1ccc(I)nc1 72225939 KAROVFOCIJEJFQ-GFCCVEGCSA-N 310.138 2.734 0 40 DFAB O=C(NC[C@]1(O)CCCc2ccccc21)[C@H]1CC1(Cl)Cl 75213240 QNJXIJXCESWBSO-TZMCWYRMSA-N 314.212 2.521 0 40 DFAB COc1ccc(C)cc1NS(=O)(=O)c1cnn(C(C)C)c1 72239240 GKMBSPIRMPFOCA-UHFFFAOYSA-N 309.391 2.582 0 40 DFAB CN1NC(=O)c2cc(-c3ccco3)nn2C12CCCCCC2 73633231 XODAAHYDAVHQRK-UHFFFAOYSA-N 300.362 2.740 0 40 DFAB Nc1nc(Cl)cc(NCCc2nc(C(F)(F)F)cs2)n1 78671571 FVGQYKASHNUHJC-UHFFFAOYSA-N 323.731 2.842 0 40 DFAB CCOC(=O)[C@H](CN)[C@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216351644 ZVWBFUVUIJMJET-STEAMIEHSA-N 322.493 2.805 0 40 DFAB COc1ccccc1CC(=O)NCCO[C@@H]1CCCC[C@H]1C 40108227 GYOSCSSDOJXNPH-GDBMZVCRSA-N 305.418 2.949 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 83264117 BPBSAKAUWYIMSH-CQSZACIVSA-N 310.438 2.641 0 40 DFAB Cc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2cc(C)oc2C)o1 80899107 KDBPLBLSVSCBHJ-IWAYRVGRSA-N 303.358 2.835 0 40 DFAB O=C(CNC[C@@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 195543146 GVWZGHONWUJJNL-KRWDZBQOSA-N 318.417 2.715 0 40 DFAB CC(C)NC(=O)N1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49170781 XUWCBEZMTTUXSU-ZDUSSCGKSA-N 300.362 2.644 0 40 DFAB biogenic,in-vitro COCc1nc2c(s1)CN(C(=O)c1ccc(C)cc1)CC2 41194432 JAIIVEVKFXMLSF-UHFFFAOYSA-N 302.399 2.796 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1n[nH]c2ccccc12 47006610 YPTAPNOKVCNKNO-DOMZBBRYSA-N 301.390 2.888 0 40 DFAB COC[C@@H](NC(=O)N1CCSCC1)c1ccc(Cl)cc1 194647154 ZGDUSEMUXFCAJP-CYBMUJFWSA-N 314.838 2.786 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c(C)n1 225893122 GAWHJHHLBOYSTD-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB O=C(NCC1CCC1)[C@@H]1CCCN1c1ncnc2sccc12 96403903 LXRFZLMKVHIHOD-ZDUSSCGKSA-N 316.430 2.576 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2cnn(C)c21 96060064 OLMDKJLXISGIFX-HNNXBMFYSA-N 303.381 2.695 0 40 DFAB CC(C)(O)CSCCNC(=O)c1cc2c(F)cccc2[nH]1 96412641 TVIDESKORWNTGR-UHFFFAOYSA-N 310.394 2.541 0 40 DFAB C[C@H]1C[C@@H](N(C)CCn2cccn2)CCN1Cc1ccccc1 96414943 AHDHPUAGZKBXTG-HKUYNNGSSA-N 312.461 2.868 0 40 DFAB O=C(O)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)s1 582909573 PBOMCAPKVQBQPS-ZDUSSCGKSA-N 315.394 2.868 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1cc(Cl)ccc1C 96420090 ZPHBBMDPKPRXLO-NSHDSACASA-N 302.827 2.884 0 40 DFAB O=C1CCCN1C1CCN(c2ccc3ccc(F)cc3n2)CC1 96429421 KQMJJMFVDQNTLQ-UHFFFAOYSA-N 313.376 2.965 0 40 DFAB C[C@H]1[C@H](CCN(C)C)COCCN1Cc1ccc(F)c(F)c1 248132911 QWNWSYRBYBGUSZ-DZGCQCFKSA-N 312.404 2.753 0 40 DFAB Cc1cc(CC2CCN(C(=O)c3cn(C)nc3C)CC2)ccn1 257287915 PRYYFQVLBNEHDH-UHFFFAOYSA-N 312.417 2.527 0 40 DFAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cscn2)n1 257291203 QGCCALVWZNFQKJ-MRXNPFEDSA-N 316.430 2.511 0 40 DFAB O=C(c1cccnn1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257278962 OEKBGRZZSBDLOP-CQSZACIVSA-N 318.380 2.730 0 40 DFAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1c(F)cccc1Cl 252508331 XKKXYRUYFAAUMM-RKDXNWHRSA-N 301.745 2.797 0 40 DFAB CN(C)c1ncc(CN2CCC[C@H]2CCc2ccncc2)cn1 257301507 RYTSTBTUJQPHBV-KRWDZBQOSA-N 311.433 2.535 0 40 DFAB CCNC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 73021966 MSCALLUDJHPZFY-UHFFFAOYSA-N 316.232 2.841 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@](O)(c1ccoc1)c1ccco1 390827385 XGIYKDSAFUXULA-SGQUHAKNSA-N 323.348 2.938 0 40 DFAB CCCc1cc(=O)nc(/C(=C\c2ccc3c(c2)nnn3C)CC)[nH]1 564401346 XDIBZHVPRQWXQZ-LCYFTJDESA-N 323.400 2.955 0 40 DFAB CSc1ncc(C(=O)NCC(F)(F)F)n1-c1ccccc1 57026274 IVEDBKAMFNFXGJ-UHFFFAOYSA-N 315.320 2.886 0 40 DFAB CCO[C@@H]1C[C@H](N(C)c2ncnc3c2cnn3C)C12CCCC2 71920903 JRJISUQLNQZRQF-UONOGXRCSA-N 315.421 2.537 0 40 DFAB Nc1nc(SCc2csc(CCc3ccccc3)n2)n[nH]1 75108691 XPXSOZKWXGXAHY-UHFFFAOYSA-N 317.443 2.921 0 40 DFAB O=S(=O)(c1ccccc1N[C@H]1CCCOCC1)C(F)F 86872192 XNGOMLZONFXHSE-JTQLQIEISA-N 305.346 2.664 0 40 DFAB COC(=O)c1cc(Br)oc1CN1CCCCC1 1083812837 FCMBKFMCFAMOQR-UHFFFAOYSA-N 302.168 2.815 0 40 DFAB O=C(NCc1ccsc1Br)[C@@H]1CCCOC1 225757042 JAXXXQCHAPTVMO-SECBINFHSA-N 304.209 2.553 0 40 DFAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)C=C(C)C)C3 24555787 USFUWTDLDDWKKR-UHFFFAOYSA-N 312.369 2.805 0 40 DFAB Nc1ccc2c(c1)OCC(=O)N2Cc1c(F)cccc1Cl 13566706 RNJFAQFWEUIISR-UHFFFAOYSA-N 306.724 2.987 0 40 DFAB Clc1cnccc1N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889108928 FUKFGYGXMKGYAL-WFASDCNBSA-N 300.793 2.845 0 40 DFAB CNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)cc1 19208588 OGCFEWJHKBXESG-UHFFFAOYSA-N 320.295 2.900 0 40 DFAB O=C(Cc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1776009505 GLSPRDZZBMKXIK-HOTGVXAUSA-N 313.376 2.959 0 40 DFAB O=C(c1ccc[n+]([O-])c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874149 JJXCOQPSTLHIIE-OAHLLOKOSA-N 314.360 2.869 0 40 DFAB C[C@H](C(=O)Nc1ccncc1)n1nc(-c2ccccc2)ccc1=O 38670920 KCXRZWZJJMNOMQ-CYBMUJFWSA-N 320.352 2.505 0 40 DFAB O=C(c1ccc(-n2cccc2)cc1)N1CC(OCC(F)(F)F)C1 585365763 WTYJGMFSJDDRFI-UHFFFAOYSA-N 324.302 2.881 0 40 DFAB O=C(NC1CC1)C1CCN(Cc2csc(C3CC3)n2)CC1 371158031 ZLTCABZGSJNCMH-UHFFFAOYSA-N 305.447 2.511 0 40 DFAB C[C@H](CNC(=O)Nc1nccs1)N1CCc2ccccc2C1 40096106 PFICHTBFDUIZLS-GFCCVEGCSA-N 316.430 2.711 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)N1CCCc2ccccc21 50078688 HLDYLMKKDGBPBW-UHFFFAOYSA-N 315.394 2.683 0 40 DFAB O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC1 30279030 FIQHVQPUYKKVNN-UHFFFAOYSA-N 322.836 2.709 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)NCc2ccccc2F)C1 40119922 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HAVZLASDVFOARD-UHFFFAOYSA-N 312.295 2.683 0 40 DFAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccccc2)CC1 45956203 OICJFDLUHNQYJG-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB CN(C)c1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 2645138 JQZDVWHMNQJWHM-UHFFFAOYSA-N 303.450 2.747 0 40 DFAB Cn1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1=O 52276003 LVKOBPPZTXXEKI-INIZCTEOSA-N 318.804 2.612 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccncc1)c1cccs1 32879713 NZDBPNCGRGPGNT-BXUZGUMPSA-N 317.414 2.588 0 40 DFAB CC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccc(C)cc23)cc1 32814938 UNEHSYHUWJTCQO-UHFFFAOYSA-N 322.368 2.760 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)c(O)c1 4580150 ONUSDQDCHWHXJB-UHFFFAOYSA-N 320.732 2.545 0 40 DFAB CCc1nc2n(n1)C[C@H](Nc1ccnc(-c3ccccc3)n1)CC2 69808263 XVYKKTJJAQLDHR-CQSZACIVSA-N 320.400 2.724 0 40 DFAB COc1ccc(C2=[N+]([O-])[C@](C)(c3ccccc3)N(O)[C@@H]2C)cc1 7813417 KXKDZVBYGQWDPA-FZKQIMNGSA-N 312.369 2.961 0 40 DFAB CNC(=O)[C@H]1CCCN1Cc1ccc(OC(F)F)c(Cl)c1 92100227 KZWQCIYRJDQIHB-LLVKDONJSA-N 318.751 2.652 0 40 DFAB CCSCCOC(=O)c1ccc(OC)c(OC)c1OC 60375763 HVYKIWHGZWSICG-UHFFFAOYSA-N 300.376 2.622 0 40 DFAB O=C1[C@@H]2CN=N[C@H]2C(=O)N1c1ccc(Cl)cc1C(F)(F)F 8782818 OMDQVPOQBWEUFF-HZGVNTEJSA-N 317.654 2.683 0 40 DFAB CCCSc1nc2cc(S(N)(=O)=O)ccc2n1CCC 23044391 UZCINRLUVNPBAW-UHFFFAOYSA-N 313.448 2.596 0 40 DFAB COc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccn1 42621665 PWCCNSGAMMBHLA-GJZGRUSLSA-N 300.333 2.649 0 40 DFAB C[C@H]1CCCCN1[C@H](C)CNC(=S)NCCc1ccccc1 105723468 CHKMZPFQMBKFDN-JKSUJKDBSA-N 319.518 2.956 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCN(c2ccccn2)C1 106515188 DKUQGKKZYNFJEV-RCCFBDPRSA-N 321.424 2.970 0 40 DFAB COc1ccc(NC(=O)CSc2nnc(C)o2)cc1Cl 35268931 RNJQPLMKDKJYSS-UHFFFAOYSA-N 313.766 2.771 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1 12524845 FALYNSKZRMYUQD-ZIAGYGMSSA-N 323.396 2.967 0 40 DFAB Cc1ccccc1C(=O)N[C@@H](C(=O)O)c1ccc(F)c(F)c1 97036661 KFMSDGICZSOFHF-CQSZACIVSA-N 305.280 2.829 0 40 DFAB O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCc2ccccn2)C1 108128429 UKNOXRPRCGBSPS-YOEHRIQHSA-N 304.340 2.710 0 40 DFAB Cc1ccc(NC(=O)c2cnn3cccnc23)c2cccnc12 44230090 KTRSDLXKBVORJU-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB Cn1ccnc1S(=O)(=O)Cc1c(Cl)cccc1Cl 47943491 HSDQGENCXUICAQ-UHFFFAOYSA-N 305.186 2.701 0 40 DFAB COC(=O)c1cc(Cl)cc(NC(=O)CCn2cc(C)cn2)c1 72290153 HOOMQNVQDCYWOP-UHFFFAOYSA-N 321.764 2.660 0 40 DFAB Cn1cc(CCCNC(=O)c2cccc(Br)c2)cn1 60367546 ZEKJBEBHPZDZHA-UHFFFAOYSA-N 322.206 2.545 0 40 DFAB COc1cccc(CNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)c1 72296533 WDVFRFXKWYHFRM-LBPRGKRZSA-N 315.417 2.541 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)N(C)CC2CCCC2)c1 58234215 GRIWVESLMJNOBK-UHFFFAOYSA-N 303.406 2.977 0 40 DFAB Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cn1 58342560 ZMCCCCXLQSMTJT-STQMWFEESA-N 320.190 2.925 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cn1 58305454 BAHPYOYQXIFIKJ-CQSZACIVSA-N 324.302 2.872 0 40 DFAB CC(C)C[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)O 36367303 MQTPSKYUNIMGLG-AWEZNQCLSA-N 320.364 2.786 0 40 DFAB CCNc1nc(Cl)nc(NCCOc2ccccc2C)n1 2300537 YEBCMJXQZXFMLY-UHFFFAOYSA-N 307.785 2.756 0 40 DFAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 10967352 LYRXXEXOANRMHR-JSGCOSHPSA-N 307.415 2.624 0 40 DFAB Cc1cccnc1CN1CCOC[C@@H]1CC(=O)c1cccs1 119555995 HAZDGKXSLHIVAW-AWEZNQCLSA-N 316.426 2.925 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1Cl)C(=O)OC 2406510 ZPHIXGXYMKKVNY-MFKMUULPSA-N 312.797 2.727 0 40 DFAB CC1=NN(c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 45790857 NAPBJIHEQKNRFS-ZIAGYGMSSA-N 301.390 2.522 0 40 DFAB COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC)c3)coc2c1 2572528 NMQZMHHAWZDJOJ-UHFFFAOYSA-N 314.293 2.888 0 40 DFAB endogenous,in-man CC[C@H](C)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 69530933 MRXJWDCIHKYWEL-INIZCTEOSA-N 316.445 2.726 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 69621529 RPAWPKQCCUSFNS-QGZVFWFLSA-N 316.445 2.692 0 40 DFAB Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 69779309 AMMFILYEPDNXFF-CVEARBPZSA-N 323.396 2.591 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NCc2ccccc2N)CC1 39378939 UNFNKTIJBMXYGB-UHFFFAOYSA-N 305.422 2.758 0 40 DFAB Cc1csc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1 14115860 CZCCAUVQVRFYJY-OAHLLOKOSA-N 302.355 2.562 0 40 DFAB COc1ccc2nc(NC(=O)N[C@H](C)[C@@H]3CCCO3)sc2c1 65607967 HGTMMAIOHCMZHB-SKDRFNHKSA-N 321.402 2.994 0 40 DFAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 5633411 IAVPTJMDULLLRT-MRXNPFEDSA-N 318.417 2.996 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cc1 6757144 DQFYWHZOXWKVPY-ZDUSSCGKSA-N 323.348 2.628 0 40 DFAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCCCC1 4811414 WRTQRFQDMAGEBL-UHFFFAOYSA-N 314.364 2.503 0 40 DFAB O=C([C@@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66688164 VODNWEDMOSGXEO-KBPBESRZSA-N 313.756 2.558 0 40 DFAB COc1ccccc1CNC(=O)CCOc1ccccc1OC 5937409 YMAQIJAUOGJZPS-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)NCc1ncnn1C)C(C)(C)C 80158435 IGPAVNFAANVFKB-OAHLLOKOSA-N 315.421 2.710 0 40 DFAB C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1ccc(N(C)C)cc1 16157796 ROFDAWVSEBQRME-LLVKDONJSA-N 302.330 2.530 0 40 DFAB Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H]1CCC(=O)N1 70012980 DDTVYEKKUFXEEX-HNNXBMFYSA-N 324.380 2.682 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCc1ccon1 70040277 MXOIFIZFBGGXFY-UHFFFAOYSA-N 315.304 2.973 0 40 DFAB Cc1nc(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)cs1 71858589 GFXCWKMYMMJONC-INIZCTEOSA-N 315.442 2.509 0 40 DFAB O=C(NCc1ccon1)c1c[nH]nc1-c1ccccc1Cl 87460563 AXILQNUMKWDHQD-UHFFFAOYSA-N 302.721 2.648 0 40 DFAB COc1cc(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C 19942880 QFSZVGRULBOARL-VXGBXAGGSA-N 311.447 2.979 0 40 DFAB Cn1nccc1CCNC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 97140464 HTTFQRCYVPJYKC-PBHICJAKSA-N 324.428 2.827 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccccc1 97123832 QZRPXKTTYFTSPM-OAHLLOKOSA-N 312.394 2.840 0 40 DFAB Cc1cc(NC(=O)[C@@H](Sc2ncn[nH]2)c2ccccc2)no1 9737266 WOWHYRMVLYFXEW-LBPRGKRZSA-N 315.358 2.573 0 40 DFAB COc1ccc(CC(=O)Nc2ncc(C)s2)c(OC)c1OC 9747460 CCFCOWOCCOZRRN-UHFFFAOYSA-N 322.386 2.659 0 40 DFAB O=C(Nc1cc(-n2cccc2)ccc1F)N[C@@H](CCO)C1CC1 78870039 LHNANUFJUICAIG-HNNXBMFYSA-N 317.364 2.899 0 40 DFAB CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612486 LQNSCCOPZQBJQG-UHFFFAOYSA-N 306.381 2.593 0 40 DFAB C[C@@H]1CCO[C@@H]1C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 95427108 KJWIQHQURMVKFB-JLSDUUJJSA-N 310.397 2.845 0 40 DFAB CC(=O)NCCCS[C@H]1CCCN(c2ccccc2F)C1=O 95448527 GJYONSZMFONTFH-HNNXBMFYSA-N 324.421 2.581 0 40 DFAB CSc1c(Cl)cccc1NC(=O)NCC1(CO)CC1 95405981 WKLKGCZVOQINKD-UHFFFAOYSA-N 300.811 2.956 0 40 DFAB CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1 73185179 UDRODDSQWUQJMM-GJBLVYBDSA-N 309.431 2.661 0 40 DFAB COCCn1ccc2c(C(=O)NCCc3ccccn3)cccc21 79464649 AGXHZOCCGMXSCF-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB COc1ccc(F)c(NC(=O)c2cc(-n3cccn3)ccn2)c1 88209906 UAWAWRNGUPENQJ-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB O=S(=O)(CCn1nc(C2CC2)nc1C1CC1)c1ccccc1 95974838 ZKPOKDSHBMWSFK-UHFFFAOYSA-N 317.414 2.507 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)C1CC1 89689155 FWUTUNYWOVTBQP-IRXDYDNUSA-N 302.418 2.858 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 89802048 ZJYVLKNHHRDKPY-WBVHZDCISA-N 320.477 2.920 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)Nc1nc(-c2ccco2)cs1 89938240 ACLSKLVWAFCVEB-JTQLQIEISA-N 306.391 2.571 0 40 DFAB C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccccc2)O1 89936899 DLRVHPANPOSZRV-MLGOLLRUSA-N 311.385 2.501 0 40 DFAB CCC[C@H](C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89949461 DTRIRKDLAXCRDC-LBPRGKRZSA-N 306.381 2.800 0 40 DFAB O=C(NCc1nc2ccccc2s1)[C@@H]1Cc2ccccc2O1 31098925 USOTWIRITBNNHK-AWEZNQCLSA-N 310.378 2.916 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)CCO3)c1C 31342973 PKEBMCRPISCUEI-UHFFFAOYSA-N 314.341 2.605 0 40 DFAB CC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccncc2)CC1 79025665 GJMISORDKLUHSB-UHFFFAOYSA-N 304.390 2.840 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 78671066 NZILGGMOWTWOJO-JKSUJKDBSA-N 307.438 2.869 0 40 DFAB COc1ccc(OC)c2c1cc(C(=O)NCc1ccco1)n2C 72401466 FLTCGMREVUMVBU-UHFFFAOYSA-N 314.341 2.719 0 40 DFAB C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1csnn1 562729185 HSNYZMWFFGZQDT-GHMZBOCLSA-N 302.403 2.756 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72838119 UIYRSKZEZWPSDQ-CABCVRRESA-N 317.458 2.801 0 40 DFAB CCOC(=O)Cn1c(C)cc(=O)c2cccc(C(F)(F)F)c21 40174691 MYVAOHMPQRNNFO-UHFFFAOYSA-N 313.275 2.892 0 40 DFAB COCC(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 223952574 SMVUWPVWXAJUAL-UHFFFAOYSA-N 317.389 2.639 0 40 DFAB CO[C@@H]1Cc2ccccc2N(C(=O)c2cncnc2C2CC2)C1 575603432 HLCDTRWJKIAWPG-CQSZACIVSA-N 309.369 2.572 0 40 DFAB O=C(O)[C@H](c1ccccc1F)N1CC[C@H](c2cccnc2)C1 568060178 UTAJAGSEXRCSND-BBRMVZONSA-N 300.333 2.836 0 40 DFAB O=C(NCCc1cccs1)c1cccnc1Br 41107484 PZTVTUORTBPESS-UHFFFAOYSA-N 311.204 2.878 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc2C1)Nc1cccs1 85560516 ZOMGLJBLKOIMPM-INIZCTEOSA-N 302.399 2.790 0 40 DFAB Cc1ccccc1C(=O)N[C@H](c1n[nH]c(=S)n1C)C(C)C 85400133 BGAIUEGZESFLDB-LBPRGKRZSA-N 304.419 2.913 0 40 DFAB CCn1ccc2ccc(NC(=O)NC[C@H]3CC[C@@H](O)C3)cc21 195578929 PMMJAALJCQWRPW-SWLSCSKDSA-N 301.390 2.944 0 40 DFAB CSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2)s1 222751408 SSZQSFNSHOPVJW-SECBINFHSA-N 309.416 2.974 0 40 DFAB C1CCC2(CC1)O[C@H]1[C@@H](CO[C@@H]3OC4(CCCCC4)O[C@H]13)O2 239347254 MNXYIFLXTZJYIW-LXTVHRRPSA-N 310.390 2.863 0 40 DFAB biogenic CCS(=O)(=O)[C@@](C)(Br)C(=O)c1cccc(C)c1 96518651 RYZJARSDAPMCLW-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB O=C(C1=COCCC1)N1CCO[C@@H](CCc2ccccc2)C1 97374343 JRZRXLJWVIZOBQ-KRWDZBQOSA-N 301.386 2.541 0 40 DFAB CCOC(=O)N1[C@@H](C(=O)NC2CC2)CC[C@@H]1c1ccc(C)o1 96413169 ZECFSRPVYCFGTF-CHWSQXEVSA-N 306.362 2.529 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cn(C)nc21 96059842 QNXFEDYWXQSNNT-INIZCTEOSA-N 315.417 2.565 0 40 DFAB CC(C)c1cc(CNC(=O)NC[C@](C)(O)c2ccsc2)on1 96419930 AAJOBSFBYXGEAW-HNNXBMFYSA-N 323.418 2.566 0 40 DFAB O=C(/C=C/c1csc(Br)c1)NC[C@@H]1CCCO1 96407135 YJOLUFJNBVQGBD-FSIBCCDJSA-N 316.220 2.819 0 40 DFAB CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 96420301 VCYMMXGVEASLOR-HIFRSBDPSA-N 318.417 2.857 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@H]2c2cccc(F)c2)cc1 242687681 UPITURDJJDGSDJ-BRWVUGGUSA-N 320.385 2.682 0 40 DFAB OCCCN(Cc1ncnn1-c1ccccc1)c1ccccc1 252511328 ZYQOMTGUZGGPFR-UHFFFAOYSA-N 308.385 2.656 0 40 DFAB Cc1cc(N)cc([C@@H]2CN(Cc3sccc3C)CCO2)n1 257200923 AFJCFTGELZREOQ-HNNXBMFYSA-N 303.431 2.916 0 40 DFAB COC(C)(C)C(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257241797 HZPPXJXZPZBOGL-MAZHCROVSA-N 321.392 2.867 0 40 DFAB Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)C(C)(C)C)C2 585101741 CYDCKYKNIHOFFA-SFHVURJKSA-N 319.449 2.904 0 40 DFAB Cc1ccc(OC[C@]2(O)CCN(Cc3cccc(C)n3)C2)cc1 585269165 LBGMDPYQMCZJGR-IBGZPJMESA-N 312.413 2.714 0 40 DFAB CN(Cc1ccccc1)c1ncc(C(=O)O)c(-c2ccncc2)n1 169751190 UYTPGFITIVLJIZ-UHFFFAOYSA-N 320.352 2.873 0 40 DFAB CC1=C[C@H]2C(N3CCNCC3)=Nc3ccccc3N[C@@H]2S1 1542984511 KDLRPPDSXYTYHV-BLLLJJGKSA-N 300.431 2.640 0 40 DFAB COC(=O)CCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 15496757 VKYARKYPMAFDBO-HWKANZROSA-N 302.157 2.686 0 40 DFAB Cc1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)s1 19217243 MIZUKDJMLBTXMT-UHFFFAOYSA-N 317.458 2.864 0 40 DFAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@@H]1CCOC1 19337974 LEDYCCRLXMEMJX-HUUCEWRRSA-N 302.399 2.580 0 40 DFAB C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1cccc(N2CCCC2)c1 158598765 SNFQJTODAXEKQP-XMHCIUCPSA-N 323.462 2.518 0 40 DFAB Cc1cccc(N2CCN(c3ccn4nccc4n3)CC2)c1C 1888882193 YFVOTYAJMKWVAB-UHFFFAOYSA-N 307.401 2.673 0 40 DFAB O=C(Nc1ccncc1)c1ccc(OCC2CCOCC2)nc1 244933278 CKHLDENCCWFNOO-UHFFFAOYSA-N 313.357 2.534 0 40 DFAB CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(F)c1 4304810 ZEAUVWBAJMRSPZ-UHFFFAOYSA-N 304.346 2.627 0 40 DFAB CCCN[C@@H](CC(=O)Nc1c(CC)cccc1CC)C(=O)O 5258181 YUJPOJYSQNZTML-AWEZNQCLSA-N 306.406 2.593 0 40 DFAB COC(=O)[C@@H]1C[C@H](N2CCCC2)CCN1CC1CCCCC1 2055772100 WQWDLTNJSVMDCR-SJORKVTESA-N 308.466 2.669 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)no1 1775968146 KKFNTHMUQUIJMX-GFCCVEGCSA-N 318.354 2.768 0 40 DFAB Cn1c(SCc2nnsc2Cl)nc2ccccc2c1=O 21668732 MZWBEPYYZNLMJR-UHFFFAOYSA-N 324.818 2.731 0 40 DFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(O)c1 6093105 JDTRTHKORKRTGH-UHFFFAOYSA-N 321.716 2.761 0 40 DFAB CCCCCNC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 102851773 KLQYVPWWCGGGGL-RCDYEMGKSA-N 306.450 2.768 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)no1 52918038 IKKZBKSILZCNBG-CQSZACIVSA-N 314.341 2.732 0 40 DFAB Cc1csc(NC(=O)COC(=O)CCc2cccs2)n1 22315952 ZMJBCFPAAYIAAG-UHFFFAOYSA-N 310.400 2.628 0 40 DFAB C[C@H](NC(=O)N1CCC[C@@H]1CO)c1c(F)cccc1Cl 81511120 LYIPSEKJLMHQDQ-VHSXEESVSA-N 300.761 2.706 0 40 DFAB CCOc1ccc2oc(-c3cnn(C)c3C)c(O)c(=O)c2c1 55007515 MMKSSTCEZRSZFJ-UHFFFAOYSA-N 300.314 2.606 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)Cc1ccccc1 47934286 BPJZNVIOUZGYRI-UHFFFAOYSA-N 322.372 2.635 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3273056 JTHKXJDMXGFXMU-PBHICJAKSA-N 315.413 2.667 0 40 DFAB Cc1nnc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 43407358 SDOFOQIXSWXXGA-MRVPVSSYSA-N 320.374 2.500 0 40 DFAB OC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 25165161 WTABYMQWYSAHEY-UHFFFAOYSA-N 306.369 2.653 0 40 DFAB CN1C(=O)/C(=C/c2csnn2)c2cc(Br)ccc21 58016135 HRNFBBKXRPCRFA-BJMVGYQFSA-N 322.187 2.818 0 40 DFAB Cc1ccccc1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 58031720 KUQYVYCTXVJEPC-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)NC1CC1)N1CCCCC1 36075788 VCFXEFAXQLKNCM-MRXNPFEDSA-N 317.433 2.684 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1Cl 27872421 FNYILODNQLRXIF-PWSUYJOCSA-N 313.829 2.942 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1cc(-c2ccc(C)s2)n[nH]1 58365213 SRLGDVKYDPGQRI-NSHDSACASA-N 323.418 2.827 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(C(N)=O)cc2)C1(C)C 58403977 PVWLLTDJPZAZMA-LSDHHAIUSA-N 300.402 2.640 0 40 DFAB O=C(NCc1ccccc1)N1CCN(Cc2cccs2)CC1 12808636 AKDIYWGHACLFIS-UHFFFAOYSA-N 315.442 2.776 0 40 DFAB C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1 2431367 UGVZRJAXSSTPQV-CJNGLKHVSA-N 312.369 2.743 0 40 DFAB Fc1cccc(-c2nnn(Cc3nc(-c4ccccc4)no3)n2)c1 12881243 BKBDFERRYWNWKE-UHFFFAOYSA-N 322.303 2.578 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1cccc(F)c1 3466046 SZFRFBDUDDAFPA-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)CCc2ccsc2)c1 70012171 VLSODKSOJIMGBF-OAHLLOKOSA-N 303.431 2.877 0 40 DFAB CCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 13019380 OHUXUELAGHHFCT-UHFFFAOYSA-N 300.358 2.690 0 40 DFAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2cccs2)c1C 13018080 YNGRCRQSQGLNIT-UHFFFAOYSA-N 320.414 2.842 0 40 DFAB CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)cc1 69849351 USURHXNDSIEERL-FZMZJTMJSA-N 306.431 2.643 0 40 DFAB COc1cccc(CN[C@H]2CCCN(c3ccc(C)nn3)C2)c1 69814856 XZVNAGHRHQODHO-INIZCTEOSA-N 312.417 2.552 0 40 DFAB Cc1cn2cc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)ccc2n1 69486267 UMFGSXULVZWQMI-INIZCTEOSA-N 320.352 2.774 0 40 DFAB COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)ccc1C 69491541 VCTGZYVDBDUXDY-JKSUJKDBSA-N 302.418 2.702 0 40 DFAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 4172270 POJUTCRGYHMYMC-OAHLLOKOSA-N 313.426 2.899 0 40 DFAB CC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 6084969 PBSLNBOTPJKIQT-UHFFFAOYSA-N 308.381 2.886 0 40 DFAB Cc1ccc2c(CN3CCCC[C@H]3CCO)cc(=O)oc2c1 5157016 CWNHBBAHVWKHSF-HNNXBMFYSA-N 301.386 2.838 0 40 DFAB biogenic CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)O 4302316 JBXTXIBJTZOOPH-GLQYFDAESA-N 304.390 2.863 0 40 DFAB CC(C)Cn1cnc2ccc(NC(=O)c3cccnc3)cc2c1=O 65321096 AYRDUIRZYQFCLX-UHFFFAOYSA-N 322.368 2.700 0 40 DFAB biogenic O=C(Cc1c[nH]c2ccccc12)NC[C@H]1COc2ccccc2O1 14019000 PEAYFZXBVVLULM-AWEZNQCLSA-N 322.364 2.667 0 40 DFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1 14093411 SOZUDCQXDJRMEB-UHFFFAOYSA-N 305.341 2.927 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 6486598 RQCFERILVBARCK-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 14105127 SXDGWXXKPRLWKD-AWEZNQCLSA-N 324.336 2.538 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N(C)Cc1cccs1 6579626 GBWLPHXSMMHSMH-UHFFFAOYSA-N 318.398 2.744 0 40 DFAB NC(=O)[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 14712414 CPRHQQDNIWOYQO-QAQURRIXSA-N 313.397 2.973 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1N 4869440 TTXMUZMDHOFHOC-PVXIVEMSSA-N 318.417 2.675 0 40 DFAB Cc1[nH]c2c(Br)cccc2c(=O)c1CCC(=O)O 4816305 VRCOIPJTMNBNNY-UHFFFAOYSA-N 310.147 2.616 0 40 DFAB O[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1ccc(F)cc1 69946575 OSLVXXCTNXZEKA-IRXDYDNUSA-N 303.381 2.610 0 40 DFAB O=C(OCC(=O)c1ccccc1Br)c1ccncc1 5861698 LEOTVOCHEGBIPB-UHFFFAOYSA-N 320.142 2.884 0 40 DFAB COC(=O)CCNc1nc2c(Cl)c(C)nn2c2ccccc12 15497826 NJIZHPBHEWARIH-UHFFFAOYSA-N 318.764 2.819 0 40 DFAB O=C(CN1CCSC1=O)Nc1ccc(OC(F)(F)F)cc1 7948673 BVUNULIQTJAJJH-UHFFFAOYSA-N 320.292 2.693 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)Oc1cc(OC)ccc1C(C)=O 97054626 VPZSEMLOCQVZNH-LBPRGKRZSA-N 307.390 2.970 0 40 DFAB CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cscn2)CCO1 97048117 JYNGQAALQQCYNC-OCCSQVGLSA-N 311.451 2.926 0 40 DFAB CCCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1 9328592 PZOLMIXQNHBJLT-UHFFFAOYSA-N 324.450 2.658 0 40 DFAB CC(C)Cn1nccc1NS(=O)(=O)Cc1cccc(F)c1 96462635 OSBRPPCKARNING-UHFFFAOYSA-N 311.382 2.620 0 40 DFAB Cc1cccc([C@H]2CCCCCN2C(=O)CSCC(N)=O)c1 96410562 FVTYFFQDCYRBDW-OAHLLOKOSA-N 320.458 2.657 0 40 DFAB Cc1cc(C)n(CCC(=O)Nc2cccc(C(F)(F)F)n2)n1 71854110 INIIOEVLAINNHP-UHFFFAOYSA-N 312.295 2.943 0 40 DFAB CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)[C@H](c2ccccc2)C1 71834968 JRWPXOXPHIMCJD-BBWFWOEESA-N 310.397 2.898 0 40 DFAB Cc1nc2cc(C(=O)OCc3ccc4[nH]nnc4c3)ccc2n1C 97113013 GTKRLKDXFQWGHU-UHFFFAOYSA-N 321.340 2.510 0 40 DFAB OCC[C@@H](NC1CCN(c2nccs2)CC1)c1ccccc1 97237692 VPKDGJFLLKSGLL-MRXNPFEDSA-N 317.458 2.825 0 40 DFAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](CO)C1 84410474 LYMDKCPYHMCMGA-DOTOQJQBSA-N 322.424 2.807 0 40 DFAB Cn1nc(C(=O)N2CCCCC[C@@H]2C2CCCCC2)ccc1=O 78814909 VWKXNZOSTYOQDC-MRXNPFEDSA-N 317.433 2.745 0 40 DFAB O=C(NCCSc1ccccc1)c1ncn(-c2ccccc2)n1 95453946 DRPCYAAZDQFHAZ-UHFFFAOYSA-N 324.409 2.789 0 40 DFAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H](C)C1CCOCC1 95416781 FDMRJSFAAVUTGG-BBRMVZONSA-N 318.417 2.851 0 40 DFAB CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccnn1 95436767 BSYIFTFGKPICRM-UHFFFAOYSA-N 313.405 2.509 0 40 DFAB Cc1ccc(NCc2ccc(Cl)nc2)cc1-n1nnnc1C 95407775 XKMLVOWHUCGDIU-UHFFFAOYSA-N 314.780 2.940 0 40 DFAB C[C@](O)(CNC(=O)c1cc2ccccc2[nH]1)c1cccs1 78963869 SIAOKNSPEGZGNR-INIZCTEOSA-N 300.383 2.867 0 40 DFAB O=C(NCCSCc1ccccc1)[C@H]1CCc2cn[nH]c2C1 79316560 DQOFNAKLWYJZAV-AWEZNQCLSA-N 315.442 2.564 0 40 DFAB Cc1nnnn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 95974997 JVFYGRIITJZOSU-UHFFFAOYSA-N 309.251 2.704 0 40 DFAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1cccnc1 95980953 PGGWLSDTTDLUAV-GFCCVEGCSA-N 300.333 2.541 0 40 DFAB C[C@@H](CC1CCCC1)C(=O)N1CCN(Cc2cccnc2)CC1 74691668 PBIYSCPANPLABU-INIZCTEOSA-N 315.461 2.942 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)N(C)Cc1ccncc1 74744146 XOTWCVZGJULBID-AWEZNQCLSA-N 300.406 2.583 0 40 DFAB CCN1CCN(c2ccccc2NC(=O)c2cccc(C)n2)CC1 27060962 XFKGKNDOJLSLPN-UHFFFAOYSA-N 324.428 2.784 0 40 DFAB Cc1ccc(C2(CNC(=O)c3ccncc3)CCOCC2)cc1 68168338 NLBORULBBFXCHR-UHFFFAOYSA-N 310.397 2.868 0 40 DFAB C[C@H]1CN(C[C@H](O)COc2cccc3ccccc23)C[C@H](C)O1 36264120 FUDPJBJZLBBXRV-ZOBUZTSGSA-N 315.413 2.689 0 40 DFAB Cn1cccc1CN(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 62150545 WQIMPOBWRSMWTN-UHFFFAOYSA-N 322.364 2.936 0 40 DFAB Cn1cc(C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)cn1 72367655 NYEQEKGEFDMDQK-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71878451 HGMMGGZTHWZAAQ-IJLUTSLNSA-N 319.323 2.543 0 40 DFAB Cc1nccc(N2CCC[C@H]2c2cccc(-n3ccnc3)n2)n1 72355615 ZIZXPOZXZVDPTR-HNNXBMFYSA-N 306.373 2.707 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1 36139433 SSSCGDAKSKRICC-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1O 71283555 VJUPGBBZAAQBLF-JTQLQIEISA-N 317.345 2.595 0 40 DFAB COc1ccccc1N1C(=O)C[C@H](Nc2ccccc2F)C1=O 36635596 QDUDNXHSXJSGCU-ZDUSSCGKSA-N 314.316 2.578 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NCCO 79408162 UHJHANOEUGMEIA-KGLIPLIRSA-N 300.443 2.525 0 40 DFAB CN1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1 41124044 RPHIJHNSNDBLBD-QGZVFWFLSA-N 320.458 2.800 0 40 DFAB C[C@@H]1CN(C(=O)Cc2cc3ccccc3nc2O)CCC1(F)F 567530070 YGDIXUGFCQYYJZ-LLVKDONJSA-N 320.339 2.987 0 40 DFAB COC(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccn1 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C[C@@H](C(=O)N(C)Cc1nccn1C)n1ccnc1-c1ccccc1 96484820 KXVWQYLFCZBVPJ-AWEZNQCLSA-N 323.400 2.503 0 40 DFAB CC(C)n1ccnc1[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 95373079 NRBXSMRKAGEFFZ-GFCCVEGCSA-N 311.393 2.514 0 40 DFAB CN(Cc1ccncc1)[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96048091 FPHIRMCLRVTPBN-SFHVURJKSA-N 315.461 2.547 0 40 DFAB CCOC(=O)[C@@H](CN)[C@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242750684 ZVWBFUVUIJMJET-VVWQDTPRSA-N 322.493 2.805 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1 257266170 MBVXAYBVWGGEAD-INIZCTEOSA-N 312.417 2.937 0 40 DFAB CCOC(=O)NCCCOc1ccc(NC(=O)OCC)cc1 255187006 AQDSVGIXAGJQER-UHFFFAOYSA-N 310.350 2.770 0 40 DFAB Cc1cc(O)nc([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)n1 257271755 MZRLZBSAOCIJPP-INIZCTEOSA-N 324.384 2.545 0 40 DFAB COCCNC(=O)N1CCC(CSCc2ccco2)CC1 85472496 UXVKKDDJZRVJSR-UHFFFAOYSA-N 312.435 2.581 0 40 DFAB C[C@]1(NC(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 575419557 OFDWOBAPGMTWRM-SFHVURJKSA-N 315.438 2.943 0 40 DFAB C[C@@H]1CCCN(C(=O)CNc2ccc3c(c2)OC(F)(F)O3)C1 57863599 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C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)c1ncccc1Cl 98175279 FNIAZMIUCINQLM-NHYWBVRUSA-N 304.777 2.929 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)N[C@@H]1CCO[C@H]1c1ccccc1 96446980 PLQHJDSVZAZBDQ-NUJGCVRESA-N 324.380 2.950 0 40 DFAB CC(C)OC(=O)c1ccccc1CC(=O)NCc1ccco1 94992963 YREYLTOIMZEMFM-UHFFFAOYSA-N 301.342 2.704 0 40 DFAB CCN1CCN(c2ccc(C(=O)Nc3ccncc3C)cc2)CC1 96436399 NNIZLDGXXGPZII-UHFFFAOYSA-N 324.428 2.784 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 245632649 QOXKXSVNMHEYSA-PVUWLOKVSA-N 318.392 2.604 0 40 DFAB C[C@@H](Cc1ccoc1)NS(=O)(=O)c1cccc2cccnc12 84953075 UJERNPZUCGCNQV-LBPRGKRZSA-N 316.382 2.737 0 40 DFAB COc1ccc([C@@H]2CN(C(=O)c3cccs3)CCN2C)cc1 257282394 OTOVKWDJPLONCX-HNNXBMFYSA-N 316.426 2.886 0 40 DFAB O=C(/C=C/c1ccccc1)N[C@@H](Cn1nccn1)c1ccccc1 253400017 KJIYZCCDLCEGNW-DXRVJIQQSA-N 318.380 2.849 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@H](n2cc(C3CC3)nn2)C1 253472210 KIDGMJNKUGCGGS-AWEZNQCLSA-N 322.368 2.989 0 40 DFAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@H](c2ccn[nH]2)C1 257221874 DQXMDZAOHLHUPR-HNNXBMFYSA-N 310.401 2.640 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H](C)S1=O 390833911 ORJBHSCXVKQMGR-CHWSQXEVSA-N 303.427 2.628 0 40 DFAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccccn3)cc2)C1 96122418 LBTFGHNTZPFVHQ-MRXNPFEDSA-N 311.385 2.949 0 40 DFAB Nc1nc(COC(=O)c2cc(F)cc(F)c2)nc2ccccc12 9117513 ZZVXDKYQYCDJOJ-UHFFFAOYSA-N 315.279 2.847 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(Cc3c(C)cc(C)cc3C)no2)C1 390833453 HPWGRQJUARJLGT-OAHLLOKOSA-N 313.401 2.921 0 40 DFAB CCOC(=O)C(=O)c1c[nH]c2c(F)cc(Br)cc12 669369990 UJTCUYFJLWBPJN-UHFFFAOYSA-N 314.110 2.815 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CCO[C@H]2CCC[C@H]21 56193850 DHADFKXEZQSHQK-CABCVRRESA-N 316.332 2.874 0 40 DFAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@H]1COc2ccccc21 58623964 IUTANADIKQDMKT-AWEZNQCLSA-N 321.340 2.523 0 40 DFAB CCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1 301352673 NEMMNUYCXRLWPS-UHFFFAOYSA-N 300.381 2.813 0 40 DFAB O=S(=O)(c1cccnc1)N1CCc2sc(Cl)cc2C1 573797344 DDWMZSZXZFXESG-UHFFFAOYSA-N 314.819 2.544 0 40 DFAB Cc1c(Cl)cccc1NC(=O)c1cccc(-n2cnnn2)c1 11690627 VKBLIEISKJWYGZ-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CCCc1cc(C(=O)Nc2cc3c(cc2C)OCCO3)[nH]n1 12147254 KAVGCLGMSVGXTI-UHFFFAOYSA-N 301.346 2.694 0 40 DFAB O=C(CSc1nc2ccccc2[nH]c1=O)Nc1ccccc1 12378233 LHFXELLLSHFRIO-UHFFFAOYSA-N 311.366 2.654 0 40 DFAB C[C@H]1CCc2c(sc3ncn([C@@H]4CCCNC4)c(=O)c23)C1 13566378 MOXMAAUBTIDSMX-WDEREUQCSA-N 303.431 2.507 0 40 DFAB O=c1[nH]c2ccccc2cc1CNCc1ccc2c(c1)OCO2 13998881 RGXRPJKFAZHIHB-UHFFFAOYSA-N 308.337 2.547 0 40 DFAB Cc1ccc(S(=O)(=O)N2C(C)(C)CC(O)CC2(C)C)cc1 16310086 VJVLKWSDUJOAPL-UHFFFAOYSA-N 311.447 2.698 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2occc2C)c1 16416875 OXJCTOPJTFVILO-UHFFFAOYSA-N 304.298 2.645 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CN(C)C 19078956 OLLMDMYMUYCEOU-KGLIPLIRSA-N 308.397 2.536 0 40 DFAB CCCC(=O)NCc1ccc(-c2cc(CN(C)C)n(C)n2)cc1 19501770 DXHUEEWDLKTZOD-UHFFFAOYSA-N 314.433 2.565 0 40 DFAB Cc1cc(C)c(C)c(OCCCNC(=O)c2cncnc2C)c1 19566930 BSBXXIPEQZWAJC-UHFFFAOYSA-N 313.401 2.909 0 40 DFAB CC(C)C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccn2)CC1 19748765 YXSSDUIFYFSMGO-CQSZACIVSA-N 317.433 2.544 0 40 DFAB Cc1nc(C)c(CC(=O)Nc2cccc(Cl)c2C)c(=O)[nH]1 19937421 XBNIZJHSZLGLNE-UHFFFAOYSA-N 305.765 2.530 0 40 DFAB Cn1ccnc1CN1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 607854485 FCYWNKJTFFSCBN-INIZCTEOSA-N 324.428 2.593 0 40 DFAB Cc1csc2c(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)ncnc12 1889111332 MZDASSJUQIEXGA-STQMWFEESA-N 314.458 2.920 0 40 DFAB Cc1cc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)on1 1776009248 BNSNQTGJXBBDOE-UHFFFAOYSA-N 313.279 2.660 0 40 DFAB Fc1ccc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)cc1 96083018 HOAWUPXUTXCYMJ-KGLIPLIRSA-N 304.394 2.530 0 40 DFAB CCCC(=O)N(c1cc(C)cc(C)c1)[C@H]1C=CS(=O)(=O)C1 4165614 ULIPEDCQIVCLDB-AWEZNQCLSA-N 307.415 2.747 0 40 DFAB C[C@@H](c1ccc(F)cc1)n1c(S)nnc1-c1cnccn1 9046053 BIEFANKEEMHMEF-VIFPVBQESA-N 301.350 2.772 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1Cl 9823378 SFDLEAYBQFGRJR-CQSZACIVSA-N 315.760 2.789 0 40 DFAB O=C1Cc2cc(NS(=O)(=O)c3ccccc3Cl)ccc2N1 10063808 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COc1cc2c(cc1OC)CN(C[C@H](O)c1ccccc1)CC2 2651799 BASXKILEZLTFQW-KRWDZBQOSA-N 313.397 2.796 0 40 DFAB CCCOC(=O)c1ccc(Nc2nc(CC)cc(=O)[nH]2)cc1 11903422 GDLFKCTYBDASGC-UHFFFAOYSA-N 301.346 2.643 0 40 DFAB Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)no2)cc1 2797628 INGMJIWCUDFDFI-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)NC[C@@H]3CCOC3)sc2n1 41368796 UUZORHFRHBRWLG-NSHDSACASA-N 319.430 2.637 0 40 DFAB CCC(=O)N(CCOC)c1nnc(-c2ccc(C)cc2)s1 4880576 IPOZMNUXWTWMKH-UHFFFAOYSA-N 305.403 2.903 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 4965510 QUQYNFPAWRFLCH-UHFFFAOYSA-N 307.369 2.594 0 40 DFAB CCOC(=O)CC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 4972281 DLTFFRUPBFVOQD-NSHDSACASA-N 324.310 2.528 0 40 DFAB NCCS[C@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 6281099 IRKUVSBPZMMDCU-MRXNPFEDSA-N 311.410 2.820 0 40 DFAB Cc1nc(C)c(C(=O)NCCc2nc3ccccc3[nH]2)s1 6748265 PVCXEGAIQXISNG-UHFFFAOYSA-N 300.387 2.609 0 40 DFAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 7382724 QUWKHPDXTCJRSC-JTQLQIEISA-N 302.305 2.994 0 40 DFAB C[C@H](OC(=O)Cc1ccccc1F)C(=O)Nc1ccccc1 7562336 PFUOKQAFXZEQLX-LBPRGKRZSA-N 301.317 2.939 0 40 DFAB C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(N)=O 7654796 WFMXPDBSNQDIDY-RXMQYKEDSA-N 301.726 2.724 0 40 DFAB CCCOC(=O)c1nnc2sc(-c3ccccc3F)nn12 57332566 PERPHYVABOTIRF-UHFFFAOYSA-N 306.322 2.559 0 40 DFAB Cn1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)n1 2803912 JFDIEVDXNLTRHP-SNVBAGLBSA-N 302.378 2.811 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1 8508403 LDBZYQGAVPXQOL-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB O=C(Cc1csc(Cc2ccccn2)n1)NCc1ccccc1 42191384 YRXGINBZMCKVLQ-UHFFFAOYSA-N 323.421 2.988 0 40 DFAB CN(C)[C@H](CNC(=O)c1n[nH]c2ccccc12)c1cccs1 23200218 JDVRULWTMXHPTB-CYBMUJFWSA-N 314.414 2.657 0 40 DFAB CCCNC(=O)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 42712966 YXPIFLXDQQUJCK-UHFFFAOYSA-N 320.458 2.615 0 40 DFAB COc1ccc(F)cc1[C@@H](C)N[C@@H](C(N)=O)c1ccccc1 55152283 VQGQJOXYWIXXGY-BDJLRTHQSA-N 302.349 2.712 0 40 DFAB CC(C)CNC(=O)c1ccc(NC(=O)NCc2ccco2)cc1 47729385 XHXAYAFXDXHWSB-UHFFFAOYSA-N 315.373 2.987 0 40 DFAB O=C1CCC(=O)N1Sc1ncc(C(F)(F)F)cc1Cl 3128471 NIUCIWODRVZVCL-UHFFFAOYSA-N 310.684 2.910 0 40 DFAB O=C([C@@H]1COCCO1)N1CCC[C@H]1c1cccc2ccccc12 56363859 UYSOANIFOMMREP-ROUUACIJSA-N 311.381 2.919 0 40 DFAB CNC(=O)c1cccc(NCC(=O)Nc2ccc3c(c2)CCC3)c1 12533727 NADGQOFZFJBZJA-UHFFFAOYSA-N 323.396 2.586 0 40 DFAB CN(C(=O)[C@H]1CCC(=O)NC1)c1ccc(Oc2ccccc2)cc1 58298555 WCSMUUQPUWPQQK-AWEZNQCLSA-N 324.380 2.968 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)/C=C/c3ccco3)cc12 28025600 BLPCGSATZYPDAU-FNORWQNLSA-N 311.297 2.594 0 40 DFAB CC(C)Oc1cccnc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 79024364 SUBGKBZLUKBLLU-UHFFFAOYSA-N 313.313 2.556 0 40 DFAB C[C@H](CN(C)Cc1c(F)cccc1Cl)CS(C)(=O)=O 79098032 ASOHUBACFZWAQU-SNVBAGLBSA-N 307.818 2.592 0 40 DFAB COc1ccc(Br)c(C(=O)NCc2ccccn2)c1 3376997 HKFMCFXZMNXVNL-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB O=C(CCCNC(=O)c1ccco1)Nc1cc(F)cc(F)c1 12754307 HMXCGAOBNYDIHV-UHFFFAOYSA-N 308.284 2.707 0 40 DFAB CCCN(CC(=O)O)C(=O)c1csc(-c2cccs2)n1 38020569 YQIJXZXUNYKKNN-UHFFFAOYSA-N 310.400 2.808 0 40 DFAB CC(C)c1nnc2n1CCN(Cc1ccc(-n3cccn3)cc1)C2 69660995 XFMQITXSZTXSCY-UHFFFAOYSA-N 322.416 2.603 0 40 DFAB NC(=O)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 17481533 RVQCCJWHOOWXIQ-UHFFFAOYSA-N 322.286 2.986 0 40 DFAB CCc1csc(NS(=O)(=O)c2ccc(C(C)=O)cc2)n1 69778221 RWMMKKQYYNKUKO-UHFFFAOYSA-N 310.400 2.709 0 40 DFAB O=C(CCNc1ncccn1)NC1(c2ccc(F)cc2)CCC1 64321449 SVZPECWJJGLOFH-UHFFFAOYSA-N 314.364 2.613 0 40 DFAB COCc1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 69966690 DDLYWPRFICCWDI-UHFFFAOYSA-N 308.765 2.966 0 40 DFAB Cc1csc([C@@H]2CN(Cc3noc(C(C)C)n3)CCO2)n1 65473908 WBPYGFNIZKUFRN-NSHDSACASA-N 308.407 2.531 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1nccs1 65515746 JAONKMPUKODDIE-LBPRGKRZSA-N 316.386 2.778 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2C)nc1 65614740 KSYFXKURFYTVII-UHFFFAOYSA-N 311.385 2.765 0 40 DFAB COc1ccc(CC[C@@H](C)NC(=O)NCc2cccnc2)cc1 65615172 XOKUPCRUGJYQHZ-CQSZACIVSA-N 313.401 2.911 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)NC1CCC(C)CC1 6602635 OUVZSUNYPQPLMJ-UHFFFAOYSA-N 318.417 2.510 0 40 DFAB CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)N(C)C1=S 4903218 JPQFABQMRWKONR-UITAMQMPSA-N 317.197 2.729 0 40 DFAB CCNc1nc2c(s1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 15110122 GXBOCYDTCSDFAR-VIFPVBQESA-N 317.370 2.778 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)n2ccc3ccccc32)c1 5938186 WLSYOWCIPRLJDN-UHFFFAOYSA-N 317.366 2.896 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)n1C 7172408 LDWMGBNXGZTEOC-ZETCQYMHSA-N 312.345 2.521 0 40 DFAB CS(=O)(=O)c1ccc(Nc2ncnc3sccc23)cc1 7276656 XFBMKRSGIRFGMS-UHFFFAOYSA-N 305.384 2.838 0 40 DFAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccn1)C1CC1 9157673 CRTAPOQHNIKMIL-UHFFFAOYSA-N 306.362 2.574 0 40 DFAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccn1 7735797 ZBTQEJHHBUXGOD-JTQLQIEISA-N 318.760 2.997 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)no1 7902886 RLZLUCSEVOCLFV-UHFFFAOYSA-N 319.390 2.518 0 40 DFAB O=C1O[C@@H](C(=O)NC2CCCCC2)Cc2ccc(Cl)cc21 8021029 GEYJRLXQDAUACE-CQSZACIVSA-N 307.777 2.870 0 40 DFAB Cc1ccc(CCCNS(=O)(=O)c2c(C)noc2C)c(C)c1 8060018 MESBQOUZACEESL-UHFFFAOYSA-N 322.430 2.819 0 40 DFAB CC(C)(C)NCCNC(=O)c1ccc(F)cc1Br 71794505 OZCHWMVMQXYBTL-UHFFFAOYSA-N 317.202 2.706 0 40 DFAB O[C@@H](CN(Cc1ccccc1)C[C@@H]1CCOC1)c1ccco1 84134899 RLWPTHGUYRIWBI-IRXDYDNUSA-N 301.386 2.852 0 40 DFAB COc1cc(F)ccc1N1CCN(CCc2ccccn2)CC1 96406603 LXVQXLOKJUJVBF-UHFFFAOYSA-N 315.392 2.594 0 40 DFAB CC(C)(C)OC(=O)NCc1ccccc1CN1CCC(O)CC1 96492636 GDLZYNBRFQCKMZ-UHFFFAOYSA-N 320.433 2.668 0 40 DFAB C[C@@H](NCC(=O)Nc1nncs1)c1c(F)cccc1Cl 97033648 OWVSXOCEDMQSGR-SSDOTTSWSA-N 314.773 2.620 0 40 DFAB CCN1CC[C@@H](Nc2ccc(NC(C)=O)c(OC)c2)[C@H](C)C1 97045631 KJIGOCYCZAHMSQ-IUODEOHRSA-N 305.422 2.796 0 40 DFAB COc1cccc([C@H](C)Nc2cccc(NC(=O)CO)c2)c1 97038164 MLQSGNTVSPLCDM-LBPRGKRZSA-N 300.358 2.799 0 40 DFAB CCc1cccc(OC[C@@H](O)CNC[C@@H]2CCCCS2)c1 97014511 UAMUBOIIRGSFGC-RDJZCZTQSA-N 309.475 2.864 0 40 DFAB CC(C)Oc1ncc(C(=O)N2CCOCC2(C)C)cc1Cl 71830838 LXUOIVZPMRECMJ-UHFFFAOYSA-N 312.797 2.773 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]2CCCC[C@H]21 71927986 AYJJHYJCJVVJIV-IUODEOHRSA-N 311.385 2.718 0 40 DFAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cnn(C)c1 71900192 ZTNLFBBMEPLFQW-UHFFFAOYSA-N 320.396 2.966 0 40 DFAB CC(C)(C(=O)NCc1cc[nH]n1)c1cccc(Br)c1 71924351 VKDGUZKIFCOVFZ-UHFFFAOYSA-N 322.206 2.766 0 40 DFAB C[C@H]1Cc2cc(S(=O)(=O)N(C)c3cccc(O)c3)ccc2O1 71914651 LLONAGWTCFUYEB-NSHDSACASA-N 319.382 2.541 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H]2CCc3nccn3C2)o1 72278635 SGOFYZOGCHIEKB-UMVBOHGHSA-N 313.401 2.663 0 40 DFAB COCCNC(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 72287018 FXEBMFKKXZUFCU-UHFFFAOYSA-N 314.389 2.826 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H]3CCc4nccn4C3)coc2c1 97197581 ZNKJZXLTODFTAZ-AWEZNQCLSA-N 309.369 2.611 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(F)cc1F 97258265 CZPXEDCMTHGNJC-UHFFFAOYSA-N 300.268 2.501 0 40 DFAB c1cnc2nc(N3CCC[C@H](N4CCCCCC4)C3)ccc2n1 95395462 ISIFQRLGFNIQSR-HNNXBMFYSA-N 311.433 2.870 0 40 DFAB COc1ccccc1/C=C/CN[C@@H]1CCN(C(C)=O)C[C@@H]1C 84714710 UFJWGOHPDTYJLW-KLYJYZACSA-N 302.418 2.555 0 40 DFAB O=C(NC[C@@H](O)c1cccs1)c1sccc1OC(F)F 73147058 NGTXFLODGOAFLJ-SSDOTTSWSA-N 319.354 2.874 0 40 DFAB Cn1cc(CCNC(=O)c2ccnc(SC(C)(C)C)c2)cn1 95994914 AQIGSCXEEXSDGO-UHFFFAOYSA-N 318.446 2.678 0 40 DFAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(C)C)n1 89977208 LCRUHDLHYSXZPD-OLZOCXBDSA-N 307.463 2.965 0 40 DFAB O=C(c1nc(O)c2ccccc2n1)N1CC[C@@H](c2ccccc2)C1 22467900 VWVRTTXFJIOOQB-CQSZACIVSA-N 319.364 2.965 0 40 DFAB CN(CCNC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CC1 63116842 KFKDXTKNUZEQFS-UHFFFAOYSA-N 318.808 2.554 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@@H](NCCO)c1ccccc1 408734429 RBYNQVNXCFYBOS-HNNXBMFYSA-N 304.777 2.602 0 40 DFAB CCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 32854041 PDIAPTCXYBJXKC-CQSZACIVSA-N 304.369 2.748 0 40 DFAB Cc1cc(C)cc(CN2CCN(c3nccn4ccnc34)CC2)c1 306142142 WQYQUVSMMUKONA-UHFFFAOYSA-N 321.428 2.668 0 40 DFAB CN1C(=O)C[C@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 78023865 SRQGETAVXDBHNE-XJKSGUPXSA-N 314.410 2.584 0 40 DFAB O=C(Cc1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 62141124 PQVUAVACDZJNNT-INIZCTEOSA-N 309.365 2.974 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)Cn1ccc2ccccc21 71195583 ZMWBNKJFDMHGFY-OAHLLOKOSA-N 308.385 2.569 0 40 DFAB CC(C)CO[C@@H](C)c1noc(Cn2c(=O)oc3ccccc32)n1 72919796 RUEBEAHCPZFACE-NSHDSACASA-N 317.345 2.759 0 40 DFAB CC1(C)C[C@H](NCC(=O)N2CCc3ccccc3C2)C(C)(C)O1 132631308 RLDKPSSZFODYQJ-INIZCTEOSA-N 316.445 2.507 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 40434314 OJIDDXUJOFGRCN-UHFFFAOYSA-N 313.785 2.908 0 40 DFAB O=C(CCc1ccc(O)cc1)Nc1cc(C2CCOCC2)[nH]n1 195563042 ZHPIDBKEOUWLTK-UHFFFAOYSA-N 315.373 2.581 0 40 DFAB C[Si](C)(CNC(=O)CCCc1ccccn1)c1ccccc1 195565230 VBAILHFCHYGPOO-UHFFFAOYSA-N 312.489 2.675 0 40 DFAB O=C(CC[C@H]1CCCO1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 195535771 NJKZIQCZGYRHNF-GDBMZVCRSA-N 322.836 2.994 0 40 DFAB Cc1csc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)n1 96046341 WCTTVKVXNWAAKA-AEGPPILISA-N 316.430 2.594 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039388 PSDKPHFRSXBWDR-RDJZCZTQSA-N 323.458 2.725 0 40 DFAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccc(OC(F)F)cc1 96433744 AFTKLEBDYFPOQQ-JOYOIKCWSA-N 300.305 2.571 0 40 DFAB CC(C)Oc1ccc([C@H](O)CNC(=O)C[C@H]2C=CCC2)cc1 96407916 UVXYQOFAIKXSMS-WMLDXEAASA-N 303.402 2.980 0 40 DFAB COCCOc1cc(C(=O)N2C[C@H](C)c3ccccc32)ccn1 95464309 JKJUNRFXLAQQAH-ZDUSSCGKSA-N 312.369 2.871 0 40 DFAB Cc1cccn(CC(=O)N2c3ccccc3SC[C@@H]2C)c1=O 97103483 SQIOUKXGTWLVNE-ZDUSSCGKSA-N 314.410 2.684 0 40 DFAB Cc1ccccc1[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C1CC1 96472631 KBPYYDVZBWEKCC-DOTOQJQBSA-N 323.458 2.935 0 40 DFAB O=c1c2ccccc2nc(CCc2nc(C3CC3)no2)n1C1CC1 96405258 HATLEKQCJIKUNC-UHFFFAOYSA-N 322.368 2.777 0 40 DFAB COCc1csc(NC(=O)N[C@H](C)CCc2cccn2C)n1 96435550 NDMUEUAPANIOPD-LLVKDONJSA-N 322.434 2.771 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 248110848 HFHZFOCWFVKYHD-WOJBJXKFSA-N 307.441 2.929 0 40 DFAB COc1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 257239756 HQRBNLXSEDISEN-CQSZACIVSA-N 301.390 2.725 0 40 DFAB c1cncc(-c2cnc(N3CCCC3)nc2[C@H]2CCCNC2)c1 257209887 BSHFQZVUBTZAKB-HNNXBMFYSA-N 309.417 2.606 0 40 DFAB Cn1c(CNC(=O)[C@H]2Cc3ccccc3S2)nc2ccccc21 58329327 ZIRAGKKTTGUCEO-MRXNPFEDSA-N 323.421 2.907 0 40 DFAB CC[C@@H](C)n1nccc1NS(=O)(=O)c1cccc(F)c1F 58355419 GUQRXUISWDMBKZ-SECBINFHSA-N 315.345 2.933 0 40 DFAB CC(C)N(Cc1nc(-c2cccc(Cl)c2)no1)C[C@H](C)O 69697023 GONJBLMJJOXQBO-NSHDSACASA-N 309.797 2.981 0 40 DFAB COc1cccc(NC(=O)N[C@@H](c2nc(C)no2)C(C)C)c1 69704452 WHNJRZIIWHAPLL-CYBMUJFWSA-N 304.350 2.905 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Oc2ccccc2)cc1 69704527 YNDMFMXTDANCSV-CXAGYDPISA-N 324.380 2.935 0 40 DFAB CC(C)C[C@H](CCO)CNC(=O)N1CCS[C@@H](C)[C@H]1C 85414065 SUPRQZMHPPMXJX-RDBSUJKOSA-N 302.484 2.567 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13005078 IDECCHQBBLDUDH-UONOGXRCSA-N 316.357 2.641 0 40 DFAB COc1ccc([C@H]2[C@H]3C(C)=NN=C3C[C@@](C)(O)[C@@H]2C(C)=O)cc1 13142924 HDMQMOKRQPHFHG-WNRNVDISSA-N 314.385 2.585 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(F)cc2)cc1 16089892 KHMUJZKTEGXDCP-UHFFFAOYSA-N 309.318 2.552 0 40 DFAB Cc1cccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 19959450 WMUDSJSCZYWVCN-UHFFFAOYSA-N 306.369 2.689 0 40 DFAB CCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 8553336 UQTGHDHVCXHTKE-QFIPXVFZSA-N 321.377 2.512 0 40 DFAB Cc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)ncn1 585360539 LSQMLEKUEBRUFF-UHFFFAOYSA-N 310.332 2.849 0 40 DFAB Cc1ccc(CN(C)S(=O)(=O)N2CCC(C)CC2)c(C)c1 40058556 FYVCZQCBSSHUSU-UHFFFAOYSA-N 310.463 2.712 0 40 DFAB CCN(Cc1ccncc1)C[C@H](O)COc1ccc(C)cc1 40162327 FEMGQMHBZWKKRY-KRWDZBQOSA-N 300.402 2.652 0 40 DFAB CN(C)CCCN1C(=O)[C@H]2CC3=C(C[C@H]2C1=O)C(C)(C)CCC3 100700290 DTTYFBUJAORCHB-LSDHHAIUSA-N 318.461 2.840 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCCc2cc(F)ccc21 40511380 BPYPCMHEEZHOJR-UHFFFAOYSA-N 310.350 2.572 0 40 DFAB CCCCc1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1 20849160 SYFMBSKUYCKZNT-UHFFFAOYSA-N 324.427 2.608 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 241650 ZESZQNDKZAMDSR-QMMMGPOBSA-N 322.224 2.535 0 40 DFAB CCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 322873 ALHPDEPKXDQCPV-UHFFFAOYSA-N 307.375 2.760 0 40 DFAB COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1 429239 SVWBROIDGGJRHQ-UHFFFAOYSA-N 324.380 2.752 0 40 DFAB biogenic CC[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccccc1 1381151 VMLFQACHHXWCOQ-CYBMUJFWSA-N 303.383 3.000 0 40 DFAB CCSc1nc2cc(Cl)ccc2c(=O)n1CCC(=O)O 32739673 LHYRSGIPJIBRHY-UHFFFAOYSA-N 312.778 2.637 0 40 DFAB O=C(Nc1ncn(Cc2ccccc2)n1)c1c(F)cccc1F 2794200 SSIGSIDFFCSLLN-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB Cc1nc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1-c1ccc(F)cc1 32841509 NSYIIHGMALBCIM-RYUDHWBXSA-N 316.380 2.833 0 40 DFAB Cn1cc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cn1 76087790 XTLRLPYQFGSCCH-UHFFFAOYSA-N 324.369 2.672 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O 6679094 YMHRVMAFAOJAJF-UHFFFAOYSA-N 320.801 2.946 0 40 DFAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 7928704 WECOEEARHAAGCO-ZDUSSCGKSA-N 311.337 2.654 0 40 DFAB COc1cccc(CCC(=O)Nc2cccc(C)n2)c1OC 21894318 MPDCFQNQYKZVHA-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB COC(=O)c1ccc(Cl)cc1OCc1nnc(C)n1C1CC1 91593361 NKYGAONVBPUMDF-UHFFFAOYSA-N 321.764 2.940 0 40 DFAB COc1cccc(NC(=O)CNC(=O)c2ccccc2Cl)c1 8938632 XTAQUYQZOPXHPT-UHFFFAOYSA-N 318.760 2.717 0 40 DFAB CCCC(O)(CCC)CNC(=O)Nc1nnc(C2CC2)s1 72291875 ZTQODNSREHHVLF-UHFFFAOYSA-N 312.439 2.868 0 40 DFAB C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccsc2)CCC[C@H]1C 104662678 UWXVSTSVLBQFNT-DYEKYZERSA-N 308.447 2.809 0 40 DFAB O=C(c1ccccn1)N1CCN(Cc2ccc(Cl)s2)CC1 23640253 OYGPVDMSQFJMSG-UHFFFAOYSA-N 321.833 2.755 0 40 DFAB Cc1cc(NC(=O)CN(C)CCOc2ccccc2Cl)on1 25436494 CPVDEQXORAZOAM-UHFFFAOYSA-N 323.780 2.586 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1 56131947 MJGWJMMWPKKFIH-GFCCVEGCSA-N 317.414 2.948 0 40 DFAB Cc1cnc2c(S(=O)(=O)NCc3ccco3)cccc2c1 26111562 FDXWFTSOCBBTGN-UHFFFAOYSA-N 302.355 2.615 0 40 DFAB Cc1nc(CCNC(=O)N[C@@H]2CCOc3ccccc32)cs1 47866601 BZHSREOHVZFXCN-CQSZACIVSA-N 317.414 2.817 0 40 DFAB C[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 57456586 FIIQNOQNFYKNRR-SNVBAGLBSA-N 311.813 2.615 0 40 DFAB O=C(Oc1ccc2c(c1)CCC2)[C@@H]1CCCN(c2ncccn2)C1 44577142 XUMXNUQJQCSGQI-MRXNPFEDSA-N 323.396 2.787 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1ccc(Oc2cccnc2)cc1 58150977 ZQOCGDULYNKYGP-UHFFFAOYSA-N 307.309 2.815 0 40 DFAB O=C(Cn1cccn1)NCCOc1ccccc1-c1ccccc1 58283138 GWJRCLPPCXRNHZ-UHFFFAOYSA-N 321.380 2.745 0 40 DFAB CC[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1OC 58296290 KAPYMMIWNNLWAQ-UKRRQHHQSA-N 300.406 2.674 0 40 DFAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)nc1C 58356949 DIHCJFHKUIUHSD-DTWKUNHWSA-N 306.343 2.573 0 40 DFAB O=C(NCc1cccc(OC(F)F)c1)[C@@H]1Cc2ccccc2O1 58331753 GNSDIXVWPLGEKC-HNNXBMFYSA-N 319.307 2.908 0 40 DFAB CCCN1CCC(N(C)C(=O)c2ccc(N(C)C)c(F)c2)CC1 58401976 MXFDEPNUJOOAMM-UHFFFAOYSA-N 321.440 2.838 0 40 DFAB NC(=O)c1ccccc1NCc1cc(Cl)cc2c1OCOC2 10939447 PDUNONJUBQDONN-UHFFFAOYSA-N 318.760 2.918 0 40 DFAB COc1ncccc1NC(=O)NCCCCN1CCC[C@@H](C)C1 48326038 UWAVSTXFAZOHCZ-CQSZACIVSA-N 320.437 2.724 0 40 DFAB CCC[C@H](C)N(C)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 48441960 UYVLKUKBLUXVDN-ZDUSSCGKSA-N 305.422 2.970 0 40 DFAB CC(C)Cc1nnc([C@@H](C)N2CCN(c3nccs3)CC2)o1 69595284 QRMQZGZGHRKVSB-GFCCVEGCSA-N 321.450 2.608 0 40 DFAB CCc1nc(CCNC(=O)Cc2cccc(OC)c2)sc1C 69594121 VAEPFTNJMMIKNC-UHFFFAOYSA-N 318.442 2.924 0 40 DFAB Cc1nc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)sc1C 69698162 ADUBVJCSZYOGIN-VIFPVBQESA-N 309.435 2.783 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@@H](n2ccnc2)C1 69660299 PZBJYBLJMGMLSY-OAHLLOKOSA-N 306.369 2.909 0 40 DFAB O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 13378196 ZBFSUZGUYFFWGY-SFHVURJKSA-N 314.381 2.983 0 40 DFAB biogenic,in-vitro C[C@@H](Oc1ccccc1)C(=O)N[C@H](CC(=O)O)c1cccs1 13389593 MNCCACAEAYFHAZ-DGCLKSJQSA-N 319.382 2.848 0 40 DFAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)[nH]c2c1C(=O)CCC2 14139897 ZFGIYHFCNSGSJX-UHFFFAOYSA-N 312.325 2.823 0 40 DFAB O=C(Cc1cccc(Br)c1)NO[C@@H]1CCCCO1 65611803 BHDWFYMIXFADDF-CYBMUJFWSA-N 314.179 2.566 0 40 DFAB Cc1c(C)c2ccc(OCC(=O)Nc3cccnc3)cc2oc1=O 6669707 DNNKRXMQESLBRY-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB OCCOc1ccc(NC2CCN(c3ccccc3)CC2)cn1 97045231 ZTCWZQSUPAQXNB-UHFFFAOYSA-N 313.401 2.534 0 40 DFAB Cc1cc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)no1 6764273 DSILVFJTPZEUGQ-UHFFFAOYSA-N 321.720 2.573 0 40 DFAB Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 15111618 AUZXIZRCWJISEM-UHFFFAOYSA-N 317.414 2.918 0 40 DFAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCO1 97055017 QUXGYHXHQMAEKX-MFKMUULPSA-N 301.308 2.932 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N(C3CC3)[C@H](C)C(C)C)c2n1 67687091 DOXJRCIQYCQVNW-CYBMUJFWSA-N 300.406 2.995 0 40 DFAB COC(=O)c1ccc(OC(=O)c2cccc(NC(C)=O)c2)cc1 7842899 QIKSWVYOENFDIP-UHFFFAOYSA-N 313.309 2.651 0 40 DFAB Fc1cccc(-c2nnn(CCOc3ccccc3F)n2)c1 8129253 QXIDZVRKPCBTFS-UHFFFAOYSA-N 302.284 2.697 0 40 DFAB CCOC(=O)c1ccc(N2C[C@@H](O)C[C@@H]2C2CCCCC2)nc1 78260232 IHAVPYOCJGJOCJ-JKSUJKDBSA-N 318.417 2.778 0 40 DFAB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 9365634 GWWYRTRRLSEHPK-IBGZPJMESA-N 324.380 2.971 0 40 DFAB CN(C[C@@H](O)C(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 97141820 TVELVTTYRBDVLE-CQSZACIVSA-N 320.330 2.650 0 40 DFAB Cc1ccsc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 28225643 QCNPPHLYCWDYAW-UHFFFAOYSA-N 309.416 2.776 0 40 DFAB CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)O[C@@H](C)CC(C)C 72310891 GWPOIEMOBQJMCD-AVGNSLFASA-N 301.452 2.912 0 40 DFAB O=C(OCC1CCSCC1)c1cccc(-n2cccn2)n1 96446442 ZMOKDJBUJMOHIG-UHFFFAOYSA-N 303.387 2.567 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1O 9500285 NXNLHBCSNBJPJD-STQMWFEESA-N 305.374 2.647 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)C2 97236523 MWZDFDKBTYQIHE-UGSOOPFHSA-N 302.418 2.603 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 71888342 OXVHBTUTDHVAJA-OAHLLOKOSA-N 322.380 2.918 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)C1CC1 71888343 OXVHBTUTDHVAJA-HNNXBMFYSA-N 322.380 2.918 0 40 DFAB Cn1cnnc1SC[C@H](O)c1ccccc1C(F)(F)F 84331875 JSLNRULBGYDDQA-JTQLQIEISA-N 303.309 2.660 0 40 DFAB Cc1cccc(NC(=O)CCc2cc(F)ccc2F)c1C(N)=O 71914857 INORQWYLVCNQIT-UHFFFAOYSA-N 318.323 2.943 0 40 DFAB CN(Cc1nccn1C)C(=O)c1cnc(-c2ccsc2)s1 71900115 RRFAWWVLGVFLPH-UHFFFAOYSA-N 318.427 2.877 0 40 DFAB CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(F)c(C)c2)c1 95464672 CPZAZGYFXWFBTM-UHFFFAOYSA-N 323.345 2.843 0 40 DFAB Cc1cc(C(=O)Nc2ccnc(O[C@H]3CCOC3)c2)c(C)o1 95449892 YDVYRXIUVDLCDJ-ZDUSSCGKSA-N 302.330 2.711 0 40 DFAB COc1cccc(C(N)=O)c1OCc1cccc(C(C)C)n1 95451596 GNNWUHGSKVMAEB-UHFFFAOYSA-N 300.358 2.892 0 40 DFAB O=CNc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1 95430137 JVUIIPYCWSVJQR-GOSISDBHSA-N 324.380 2.593 0 40 DFAB c1ccc(CNc2ccc3nc(N4CCOCC4)oc3c2)nc1 95992300 ZWSHIYKTJSPQCJ-UHFFFAOYSA-N 310.357 2.672 0 40 DFAB COCC[C@H](C)N[C@H](c1ccc(OC)cc1)c1nccn1C 95967244 KYUGIGPNSOOUJM-XJKSGUPXSA-N 303.406 2.533 0 40 DFAB CN(C)Cc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1 89319412 AVPJKLSYAHJRKX-UHFFFAOYSA-N 312.369 2.658 0 40 DFAB COc1cc(CN[C@@]2(CO)CCc3ccccc32)cc(OC)c1 89423953 OVHWTIYMQWVNOS-LJQANCHMSA-N 313.397 2.627 0 40 DFAB O=C(NC(C1CC1)C1CC1)N[C@H]1CCO[C@]2(CCSC2)C1 89598151 DSMBVKAHQORMNR-XJKSGUPXSA-N 310.463 2.529 0 40 DFAB Cc1cccc(C(=O)O[C@H](C(=O)N2CCCC2)C(C)C)c1O 89688858 OBQHVGXMTFLNDZ-HNNXBMFYSA-N 305.374 2.504 0 40 DFAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1nc(C(C)(C)C)no1 75381518 GNPLHOURMHKBEG-VIFPVBQESA-N 313.361 2.734 0 40 DFAB CNC(=O)c1ccc(CNC(=O)Nc2ccc(C)s2)cc1 75409044 JEEYMEFHAHMPDE-UHFFFAOYSA-N 303.387 2.738 0 40 DFAB COCCCN1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O 409249305 SYEUFWYCXSCZRS-UKTHLTGXSA-N 308.403 2.715 0 40 DFAB C[S@@](=O)CCNC(=O)Nc1ccccc1-c1ccccc1 33619235 HJHGIUCSMAGXCA-NRFANRHFSA-N 302.399 2.854 0 40 DFAB CC[C@@H](F)C(=O)NC[C@H]1[C@@H]2CN(Cc3ccc(C)c(F)c3)C[C@H]12 1506813850 PHCORBIBBKSOJT-LVQVYYBASA-N 322.399 2.676 0 40 DFAB c1ccc2c(c1)C[C@H](CNc1ncnc3c1ncn3C1CC1)O2 518954691 ULTBVSCAAWNAPY-CYBMUJFWSA-N 307.357 2.577 0 40 DFAB CC(C)OC(=O)c1cc(I)ccc1O 39951610 RBOQHPLFKLNTKX-UHFFFAOYSA-N 306.099 2.562 0 40 DFAB CCC(=O)N1CCC(c2csc(Nc3ncccn3)n2)CC1 72363595 WYJYQMAFMWAJIB-UHFFFAOYSA-N 317.418 2.793 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1 72227166 XDFWWVXTHIBXMS-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Cc1cc(-c2ccccc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72351326 HEEKTQXQJQNFIG-OAHLLOKOSA-N 317.414 2.549 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1 77105144 PKXALKLRKFCFSK-LBPRGKRZSA-N 308.230 2.837 0 40 DFAB Cc1cc(N[C@H]2CCOC2)cc(N2CCN(C(C)C)CC2)c1 188700833 SNIIVPJBQDDGML-INIZCTEOSA-N 303.450 2.726 0 40 DFAB Cc1cc(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)on1 225410896 NYSITEHCPWHDEY-UHFFFAOYSA-N 319.267 2.804 0 40 DFAB COc1ccc(-c2nnc([C@H]3CCN(c4ncccn4)C3)o2)cc1 49171322 ANPYMYQGMCDCME-ZDUSSCGKSA-N 323.356 2.529 0 40 DFAB biogenic,in-vitro Cc1occc1SCC(=O)Nc1nnc(-c2ccco2)o1 131368920 BZUOHCGDDRVMKE-UHFFFAOYSA-N 305.315 2.962 0 40 DFAB CCOCCOc1ncc(NC(=O)[C@@](C)(CC)OC)cc1C 225882550 FWASADVTHGIBED-MRXNPFEDSA-N 310.394 2.559 0 40 DFAB Cc1ncc(NC(=O)N2C[C@H](C)OC3(CCC3)C2)c(C2CC2)n1 572999449 XKWFURSIRUUAMO-NSHDSACASA-N 316.405 2.838 0 40 DFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C 222734218 CYRVHKUFHHBHBP-LSDHHAIUSA-N 300.431 2.639 0 40 DFAB C[C@H]1CCCCN1CCN[C@H](C)c1ccc(-n2cncn2)cc1 195540539 PBNCDAAJHIVXRQ-JKSUJKDBSA-N 313.449 2.792 0 40 DFAB CC(C)=CC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408168 ZMGMBGQDKZZLGQ-LBPRGKRZSA-N 310.344 2.949 0 40 DFAB CCN(C)[C@H]1C=CC2(CC1)CCN(C(=O)c1cccnc1)CC2 96240279 IXWBEHKBSDPYTR-KRWDZBQOSA-N 313.445 2.974 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)CCc3ccccc3)CC2)CO1 96105784 BHLFEUMTDNAEBS-KRWDZBQOSA-N 317.429 2.663 0 40 DFAB Cc1ccc(CNC[C@H]2CCCN(Cc3cccnc3)C2)nc1 97228135 CBFWVYBAUWKHCG-GOSISDBHSA-N 310.445 2.787 0 40 DFAB COCCC1(CNC(=O)Nc2nc3c(s2)CCCC3)CC1 96480883 DOJAMBJMUQKLRC-UHFFFAOYSA-N 309.435 2.960 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C2CC=CC2)C1 97104005 NUWFVSSSGYKRPM-KBPBESRZSA-N 308.422 2.905 0 40 DFAB O=C(CSc1ncccc1Br)Nc1cccnc1 96411954 UROGRXQFBWRWND-UHFFFAOYSA-N 324.203 2.970 0 40 DFAB C[C@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1cccc2ccccc12 97104487 BYNKFLZNEXYJRN-CXAGYDPISA-N 319.426 2.779 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cs1 252490417 KSZIDUGUPPNOHF-UHFFFAOYSA-N 302.399 2.725 0 40 DFAB COc1cc(CN2CC[C@@H](c3nc(C)cn3C)C2)cc(OC)c1 257336040 YMXBMEWRKRLFNF-OAHLLOKOSA-N 315.417 2.735 0 40 DFAB CC(=O)N1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 257326559 WXQJZKQPRNXWLE-PMPSAXMXSA-N 304.365 2.546 0 40 DFAB Clc1cnc(NC[C@H]2COC3(CCOCC3)O2)c(Cl)c1 252491834 LVZLFESPVZXDAU-JTQLQIEISA-N 319.188 2.722 0 40 DFAB CS[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 42857812 XJDGLCNYBFAHEQ-SSDOTTSWSA-N 318.320 2.742 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)c2cc3ccccc3o2)cc1 90611690 XNQHTUHHUKNDKJ-MRXNPFEDSA-N 324.380 2.962 0 40 DFAB CN(C)c1cc(CNC(=O)c2cc3c(s2)CCC3)ccn1 44915935 QYNBHQPMJVBRSZ-UHFFFAOYSA-N 301.415 2.628 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)c1cc(F)c(F)c(F)c1 95417443 QPFBCCXTGGQBSF-NSHDSACASA-N 301.289 2.629 0 40 DFAB Cc1nc2sccn2c1CN1CCC[C@@H](c2ccn[nH]2)C1 12246335 KFIHFHUAYUNXQY-GFCCVEGCSA-N 301.419 2.807 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccccc2)o1 12876801 RGXYQDYNXIEVTP-AWEZNQCLSA-N 301.342 2.767 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)ncn3C)cc1 163734241 OUHNAJMIBBUORS-UHFFFAOYSA-N 309.369 2.854 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 225462933 ZBSGKZKEUYFWBJ-CABCVRRESA-N 301.390 2.511 0 40 DFAB CC(C)N(C(=O)CSc1nnc(N)s1)C1CCCCC1 8066675 UDVYXSPTQWVNFC-UHFFFAOYSA-N 314.480 2.782 0 40 DFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCCN1 953018372 ONFZARWICIXDHX-HXUWFJFHSA-N 323.440 2.940 0 40 DFAB O=C(NCC1(CO)CC1)C1c2ccccc2Oc2ccccc21 49030048 PYQDLRWFQYRZJZ-UHFFFAOYSA-N 309.365 2.813 0 40 DFAB COc1cccc(CCNc2ncnc3c2ncn3C2CC2)c1 292481225 QUWVFZZNZDWGOL-UHFFFAOYSA-N 309.373 2.824 0 40 DFAB C[C@H](CCOc1ccccc1)C(=O)N1CC[C@@H](N2CCCC2)C1 73073371 URPNUGBGXJZFQF-IAGOWNOFSA-N 316.445 2.788 0 40 DFAB CCn1nc(C)c2[nH]c(=S)n(Cc3cccs3)c(=O)c21 100028516 VYFCPZGKBPRWAD-UHFFFAOYSA-N 306.416 2.694 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)sc2c1 40462134 KTWTVWQADLNTAL-ZDUSSCGKSA-N 303.387 2.554 0 40 DFAB O=C(NCc1cccc(Cn2ccnc2)c1)Nc1cccnc1 40520727 ARFRWYCZYNKVPT-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB O=C(NCCCCNc1ccccn1)c1ccc(F)cc1F 69814326 MDSBRTBIQGQNTI-UHFFFAOYSA-N 305.328 2.982 0 40 DFAB COc1cccc(-c2nsc(NC(=O)c3cc(C)no3)n2)c1 69875739 XPESRZGFPIKXOG-UHFFFAOYSA-N 316.342 2.762 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c2n[nH]cc2c1 69843610 ZGJLBFXDYWMBPY-JKSUJKDBSA-N 312.417 2.570 0 40 DFAB COc1ccccc1CN1CCC(C(=O)NC2CCCC2)CC1 819222 NVBKCQDIIFDZGU-UHFFFAOYSA-N 316.445 2.966 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cnn(-c2ccccc2)c1C1CC1 32765543 XICNSQFEKRYEFR-OAHLLOKOSA-N 311.385 2.659 0 40 DFAB Cc1nc2c(cc1C(=O)N[C@@H]1CCC[C@@H](C)C1)c(C)nn2C 32809371 JCIDDFCYQQLFSG-ZWNOBZJWSA-N 300.406 2.894 0 40 DFAB Cc1cccc(NC(=O)C[C@H](NCCC(C)C)C(=O)O)c1C 4280104 NFDNLIUJKMIVOU-HNNXBMFYSA-N 306.406 2.721 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 4650975 UVMZXUCARQBRNW-FITYOTRXSA-N 313.397 2.927 0 40 DFAB Cc1ccc(C)c(NC(=O)C2CCN(c3cnccn3)CC2)c1 4965301 CGBFBNXSJBMRSY-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2 84310963 CDYSSOARLIVXTN-UHFFFAOYSA-N 311.414 2.865 0 40 DFAB COc1cc([C@@H](C)NC(=O)[C@@H]2CCCO2)ccc1OC(C)C 32914551 MBAYGPJDXLWABU-DOMZBBRYSA-N 307.390 2.839 0 40 DFAB Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)no1 41597647 VTZMXSTZVJZSJO-AWEZNQCLSA-N 307.781 2.669 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)CO[C@H]2CCCC[C@@H]2C)c1 71903433 MTRHEMGIAYHJAS-GUYCJALGSA-N 318.417 2.857 0 40 DFAB CCOc1nn(CC)cc1C(=O)NCc1c(F)cccc1F 9070564 OXNQBLPURQYNQE-UHFFFAOYSA-N 309.316 2.510 0 40 DFAB c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc1 23760915 PUDJXUYHWXLLMH-UHFFFAOYSA-N 319.412 2.590 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)c1 24032827 XTVPXSPSXUMFLC-ZDUSSCGKSA-N 324.384 2.991 0 40 DFAB CO[C@H](NC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3164829 FFFRHVSLHQLGOX-VKHMYHEASA-N 323.818 2.816 0 40 DFAB CC(C)[C@H](O)CCNC(=O)c1c(F)cccc1Br 84410208 ZPHLBSTXMSHPJX-LLVKDONJSA-N 318.186 2.725 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cc1ccccc1 24984999 OWKOLNWEXGLEQZ-QGZVFWFLSA-N 308.381 2.859 0 40 DFAB O=C(O)c1ccc(-c2nnn(Cc3cccc(Cl)c3)n2)cc1 1426314 VUUFLRSKRRURQM-UHFFFAOYSA-N 314.732 2.740 0 40 DFAB CCOCCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 71920721 IPUYWWMTIAPNCL-KRWDZBQOSA-N 318.461 2.926 0 40 DFAB Cc1nc([C@@H](NC(=O)C2CCCC2)c2ccccc2F)no1 71908011 VHCBEZQDMGNNFX-AWEZNQCLSA-N 303.337 2.913 0 40 DFAB Cc1cccc(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)c1C 55896546 HMOKLLHVQSPTEA-UHFFFAOYSA-N 317.410 2.984 0 40 DFAB Nc1nnc(SCc2ccc(C(=O)N3CCCC3)cc2)s1 25697246 VXMOCMHOHVZVGZ-UHFFFAOYSA-N 320.443 2.649 0 40 DFAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1ccccc1Cl 76019122 GCLCGBITLQNXST-OCCSQVGLSA-N 309.793 2.731 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC(O)CC1 26859356 WIZFCMQJMXITNF-UHFFFAOYSA-N 305.809 2.791 0 40 DFAB Cc1cccc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)c1 58010837 NUDPGHLZGMFOFH-ZDUSSCGKSA-N 300.324 2.638 0 40 DFAB Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N)c1 3286482 JQVPXCXMZMDEIQ-UHFFFAOYSA-N 302.325 2.920 0 40 DFAB COc1c([C@@H]2CCCN2Cc2c(C)noc2C)c(C)nn1C 72253664 WNJCHARSWAZSAE-AWEZNQCLSA-N 304.394 2.679 0 40 DFAB Cc1csc(N2CCN(C(=O)c3ccc(Cl)o3)CC2)n1 27815440 CCMRSNRSZIKPAU-UHFFFAOYSA-N 311.794 2.660 0 40 DFAB CCCCOc1ccc(NC(=O)Cn2ccccc2=O)c(C)c1 58434546 CXRXIIREWBZSLX-UHFFFAOYSA-N 314.385 2.974 0 40 DFAB O=C(NC1=NCCS1)c1ccc(COc2ccc(F)cc2)o1 36724874 CZAKQMQQSORWLJ-UHFFFAOYSA-N 320.345 2.830 0 40 DFAB Cc1noc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 48374368 FWUFHNHFIWBJJH-UHFFFAOYSA-N 319.792 2.980 0 40 DFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 3429074 IGOOWYOJYZUZCP-JTQLQIEISA-N 304.346 2.625 0 40 DFAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1Br 12944046 UJTZALLVFVTTDE-VIFPVBQESA-N 321.174 2.628 0 40 DFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nnnc3N2)cc1 13121787 ORNSWOUUPNRXFL-JKSUJKDBSA-N 307.357 2.828 0 40 DFAB CC(C)(C)c1noc([C@@H]2CC(=O)N(Cc3cccs3)C2)n1 38671156 OPNWJBATMFFXLZ-SNVBAGLBSA-N 305.403 2.945 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)sc1C 72297548 JRQFEXWYWAZSPE-CABCVRRESA-N 321.490 2.950 0 40 DFAB CC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 306142935 XOPCKBVZGGBMTC-LJQANCHMSA-N 307.397 2.592 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccccc1)C2=O 4514798 CHSKKCJICJAODC-CXAGYDPISA-N 302.374 2.566 0 40 DFAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)NC(C)(C)C)CC2 5487574 VWWXLOLRFPSWSO-LBPRGKRZSA-N 320.433 2.538 0 40 DFAB CCOC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[C@H](C)CC 5681657 CMOUWNKGRJUVQD-IUODEOHRSA-N 321.373 2.632 0 40 DFAB COc1ccc([S@@](=O)NCc2ccccc2)c(OC)c1C 5721599 QCQQGQBFNKWVLJ-NRFANRHFSA-N 305.399 2.825 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)c1ccc(N(C)C)cc1 6820290 VTHVJTZTVPKEFE-UHFFFAOYSA-N 311.429 2.744 0 40 DFAB C[C@@H](NC1CCCCCC1)C(=O)N1CC(=O)Nc2ccccc21 7130281 NFKQHKZQIWOKGD-CYBMUJFWSA-N 315.417 2.673 0 40 DFAB Cn1cncc1CCNc1nc(C(F)F)nc2ccccc12 96011376 HOFNXPITNLDEEV-UHFFFAOYSA-N 303.316 2.956 0 40 DFAB Cc1ccccc1Nc1nc(N)nc(CN2CCC(C)CC2)n1 7446677 ARFPICFSQLUAED-UHFFFAOYSA-N 312.421 2.738 0 40 DFAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC(C)(C)C)n1C 7554916 GHEYIEHBCHSWTF-SNVBAGLBSA-N 322.434 2.779 0 40 DFAB CCn1c(CNC(=O)Cc2cccc(OC)c2)nc2ccccc21 9364812 CCDAFLDSDYODBM-UHFFFAOYSA-N 323.396 2.924 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2-c2ccccc2)ccc1=O 9499910 VBNQNXUZUGPIIB-UHFFFAOYSA-N 305.337 2.700 0 40 DFAB Cc1cnn(CCC(=O)Nc2cc(F)cc(N3CCCC3)c2)c1 69350470 KASYYNCMDYSHBA-UHFFFAOYSA-N 316.380 2.960 0 40 DFAB COCC(=O)Nc1ccc(OCc2ccc(Cl)cn2)cc1 97148436 JISJMLXHPCYENR-UHFFFAOYSA-N 306.749 2.899 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](n2cccn2)C1 69485250 URNZZJFXUGEARI-AWEZNQCLSA-N 323.400 2.556 0 40 DFAB C[C@@H]([C@@H](C)NC(=O)COc1ccc2ccccc2c1)n1cncn1 69571549 QOQLTIYEKKPEJH-KGLIPLIRSA-N 324.384 2.576 0 40 DFAB COc1ccc(CN2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 19889882 FISVOPPNAGRPSW-HZPDHXFCSA-N 318.461 2.769 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2ccc(-n3cccn3)cc2)cn1 71797110 WTEIEYZNPRCQRZ-GOSISDBHSA-N 307.401 2.943 0 40 DFAB C[C@@H](Cn1cc(Br)cn1)C(=O)N1CCCCCC1 28233545 HJUAYMCWXUOSSJ-NSHDSACASA-N 314.227 2.684 0 40 DFAB C[C@@H](CNC(=O)NCc1ccccc1Cl)Cn1ccnc1 71856556 VLTXBWVBFLPLOA-LBPRGKRZSA-N 306.797 2.672 0 40 DFAB COCc1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 76092421 RWPFSBUUQUVCPC-UHFFFAOYSA-N 313.332 2.778 0 40 DFAB CC(C)(C)c1n[nH]c([C@H]2CN(CCc3cccs3)CCO2)n1 76049697 GSRDSFFLFHBBBJ-CYBMUJFWSA-N 320.462 2.780 0 40 DFAB c1ccc(CCCn2ccnc2CN[C@H]2CCN(C3CC3)C2)cc1 95423651 UCAYGCXOGXSZGC-SFHVURJKSA-N 324.472 2.842 0 40 DFAB Cc1nc(CNC(=O)N2CCO[C@@H](c3cccs3)C2)oc1C 95416100 SMWQBUDVPVNGBM-GFCCVEGCSA-N 321.402 2.636 0 40 DFAB COc1ccc2c(c1)N(C(=O)c1oc(C)nc1C)C[C@H](C)O2 74066820 SGEGQWOFPWEIJI-VIFPVBQESA-N 302.330 2.728 0 40 DFAB CCc1nc2cc(NC(=O)N[C@H](CCO)C(C)C)ccc2o1 78937664 JGEZAPUWTMXNFG-GFCCVEGCSA-N 305.378 2.919 0 40 DFAB COC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(C2CCCCC2)n[nH]1 95976144 HKFPIYGHTJEDJH-QWHCGFSZSA-N 319.405 2.529 0 40 DFAB CCOC(=O)c1cnn([C@H]2CCCN(Cc3ccsc3)C2)c1 95999624 WWNIHXKJLMJAOS-HNNXBMFYSA-N 319.430 2.958 0 40 DFAB COC[C@@H]1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 74666483 HQHPXVWTLNTJHW-TZMCWYRMSA-N 323.462 2.971 0 40 DFAB O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@]2(CCOC2)C1 89774468 UYTFHKIAEKMQLB-LJQANCHMSA-N 314.429 2.535 0 40 DFAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2COCC1CCCC1 306138597 SBJLHNRLFVKZCC-MRXNPFEDSA-N 307.434 2.611 0 40 DFAB Cc1nc(C2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)no1 69489258 FJAQETGUXPNTHK-UHFFFAOYSA-N 321.764 2.757 0 40 DFAB CON(C)C(=O)c1cccnc1SCc1c(C)noc1C 32719131 WSBAHFMGOUQWLU-UHFFFAOYSA-N 307.375 2.612 0 40 DFAB CN(C)c1ncc(-c2nc3cnccn3c2NC2CCCC2)cn1 72342021 NRJDSIFLFCXBFK-UHFFFAOYSA-N 323.404 2.607 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(C)c1Cl 189964792 URKHBQOEQQPBOM-LBPRGKRZSA-N 324.808 2.614 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccccc2)cc1 39522844 AIQFAEATHFMBPG-OAHLLOKOSA-N 311.381 2.899 0 40 DFAB NCCSC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79392271 IFYKEVPVTLXFLH-HNNXBMFYSA-N 308.447 2.870 0 40 DFAB Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(C(=O)O)cc1 563822505 SPVWZBXPRUTZDU-UHFFFAOYSA-N 315.373 2.575 0 40 DFAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223332766 UEUPOZWBHBNNHF-GOSISDBHSA-N 310.397 2.913 0 40 DFAB O=C(c1ccccn1)N1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49170775 UANCGCLENFDWAV-AWEZNQCLSA-N 320.352 2.761 0 40 DFAB biogenic,in-vitro O=C(Nc1nnc(SCc2ccccn2)s1)C1CCC1 42379286 DTGYHGGIZVRXNS-UHFFFAOYSA-N 306.416 2.964 0 40 DFAB CC(C)CN(CC(C)C)C(=O)Cn1ncc2ccccc2c1=O 61111328 OFDVDEGKBKNFAE-UHFFFAOYSA-N 315.417 2.537 0 40 DFAB C[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)[C@@H](C)Oc1ccccc1 195545686 BNHXGSCBAXQZKF-HWMZRRJGSA-N 320.433 2.645 0 40 DFAB CCc1cnccc1C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 578724965 IHILZKQHARIPRD-MRXNPFEDSA-N 309.369 2.847 0 40 DFAB CCS[C@H]1CC[C@H](N(C)C(=O)c2ccnc(N(C)C)c2)C1 96432367 XNAQAZRSUSXEEC-KBPBESRZSA-N 307.463 2.894 0 40 DFAB COC(=O)c1ccc(N[C@@H](C)c2cccc(-n3cccn3)c2)nn1 96444379 LOMGOCNNEADJNT-LBPRGKRZSA-N 323.356 2.622 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)NC1Cc2ccccc2C1 97377403 TVTRFMRGLSEZRD-UHFFFAOYSA-N 312.417 2.506 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1 242750553 ZSHPTAWLFYRDRW-PMPSAXMXSA-N 321.829 2.915 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 257224043 FABKRNHPOKHNGP-OAHLLOKOSA-N 313.401 2.514 0 40 DFAB Cn1nccc1C(=O)N1C[C@H]2CCC[C@H](Cc3ccccn3)[C@H]2C1 257202508 AMDXSRYAYKVQIZ-BFYDXBDKSA-N 324.428 2.546 0 40 DFAB Clc1snnc1CN1CCN(Cc2ccsc2)CC1 52712017 OIZXVOZEICOYQY-UHFFFAOYSA-N 314.867 2.571 0 40 DFAB CC[C@H](C)N1C[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O 585099481 MEYMKYQIMXMDDU-LRDDRELGSA-N 307.463 2.674 0 40 DFAB CN1CC[C@H](COc2ccccn2)CC12CN(C1CCCC1)C2 585102586 BASDIDUFPVOYTN-INIZCTEOSA-N 315.461 2.799 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)CCN1CCSC1=O 44873934 LJWWCWJEQUQWCF-UHFFFAOYSA-N 304.415 2.833 0 40 DFAB CSc1ncccc1C(=O)NC[C@@H](O)c1cccc(Cl)c1 46688666 QCYDLUYRJQQDRU-CYBMUJFWSA-N 322.817 2.920 0 40 DFAB COc1ccc2c(c1)CCN2C(=O)c1cc(C(F)F)ncn1 931141326 WFGWPPMOKMTTBY-UHFFFAOYSA-N 305.284 2.626 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cc(C)c(C)s2)CC1 69348404 FJTCGTZOXKQQRJ-UHFFFAOYSA-N 318.446 2.996 0 40 DFAB CCN(CCCCCOC)CC(=O)Nc1cccc(OC)c1 70039643 AXHBXKDEFQJBMV-UHFFFAOYSA-N 308.422 2.772 0 40 DFAB CC(C)c1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 72343308 DCYRDQFZVWJXGY-DLBZAZTESA-N 322.412 2.835 0 40 DFAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(=O)[nH]c1 64851173 UJLFKAWRNAFLBU-UHFFFAOYSA-N 300.333 2.713 0 40 DFAB CN(C)C1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 95996493 YDCPGWJDJKGPGE-UHFFFAOYSA-N 303.406 2.786 0 40 DFAB CC1=NN(CC(C)C)C(=O)[C@H]1C(=O)Nc1ccccc1Cl 101186867 KCUNGERLXVSSLG-CYBMUJFWSA-N 307.781 2.769 0 40 DFAB O=C([C@H]1CCc2cn[nH]c2C1)N1CC=C(c2ccc(O)cc2)CC1 79377551 LYKCALCIMQAXRA-HNNXBMFYSA-N 323.396 2.536 0 40 DFAB OC[C@H]1O[C@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccccc1 5882405 YIRCGTPRDKWRHB-XWSJACJDSA-N 312.365 2.603 0 40 DFAB COc1c(F)c(F)c(C(=O)NCc2cccnc2)c(F)c1F 14257987 LVJWMAACRTYKGV-UHFFFAOYSA-N 314.238 2.577 0 40 DFAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)N2CCCCCC2)cc1 15369035 OSRWHCHWXQPGHZ-ZDUSSCGKSA-N 304.390 2.815 0 40 DFAB C[C@H]1CN(Cc2ccco2)CCN1C(=O)Cc1ccccc1F 19575592 UQTDABXSYJUJNP-AWEZNQCLSA-N 316.376 2.694 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(C2CC2)on1 390827714 JJHAATJPQCJADR-CYBMUJFWSA-N 316.361 2.570 0 40 DFAB c1cc2sc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)nc2cn1 1889103102 NGVIOKFZAIRFRI-VXGBXAGGSA-N 300.431 2.612 0 40 DFAB Cc1cnc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)s1 14899221 ABLGOODVAZNVIA-LBPRGKRZSA-N 315.398 2.981 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)N(Cc1ccco1)C1CC1 31038175 YKJTYZIXLZPCMG-UHFFFAOYSA-N 314.341 2.883 0 40 DFAB Cc1cn2c(CNC[C@H]3CCN(C4CC4)C3)c(C)nc2s1 37648908 ICQFINORJRMQLH-CYBMUJFWSA-N 304.463 2.587 0 40 DFAB Cc1ccc(C(=O)Nc2c(C)nc3sccn3c2=O)cc1C 8902615 RMROESGESAAZQH-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccc(F)cc1 10329576 HDGSZWFMXQYWTP-QGZVFWFLSA-N 318.367 2.926 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 1775971086 NUFBSRSGKJKGLR-HNNXBMFYSA-N 305.422 2.846 0 40 DFAB COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(C)c1C 2413593 DHUMFZMFKBOQIE-ZDUSSCGKSA-N 310.419 2.720 0 40 DFAB O=C(C1[C@H]2CCC[C@H]12)N1CCN(c2cc(F)ccc2F)CC1 102690462 DPHWSHBARSLDEJ-STQMWFEESA-N 306.356 2.660 0 40 DFAB O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H](N2CC=CC2)C1 101353588 LHYYOWULXFSPJJ-GFCCVEGCSA-N 309.772 2.957 0 40 DFAB CCC(CC)[C@H]1CCN(S(=O)(=O)CC2CCOCC2)C1 96428150 KWQHEVKBWKFMDH-HNNXBMFYSA-N 303.468 2.501 0 40 DFAB OC[C@@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 97081886 NQAJXMLYUKMMPZ-HUUCEWRRSA-N 304.415 2.818 0 40 DFAB O=C1C(=O)N(C(=O)c2ccccc2)c2sc3c(c21)CCCC3 3141632 BLFYCJOUNGJIBW-UHFFFAOYSA-N 311.362 2.997 0 40 DFAB C[C@H]1C[C@@H](OC(=O)c2ccc(COc3ccccc3)o2)C(=O)O1 32736570 WEYPEJGBIHNUNX-XHDPSFHLSA-N 316.309 2.719 0 40 DFAB Cc1cccc(OCCN(C)[C@H](C)C(=O)NC2CCCC2)c1 21672902 IOZSWWKZLHSQNM-OAHLLOKOSA-N 304.434 2.753 0 40 DFAB Cc1nn([C@H](C)C(=O)NC2CCCCC2)cc1Br 2782545 CWXPRRQHMDSMPA-SNVBAGLBSA-N 314.227 2.964 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(Cl)C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@]12Cl 100930726 SXIFUYIBLDTKKR-GZYPTYKVSA-N 309.192 2.738 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)C(C)C 41329849 BLERXHGUCYQBTR-SJORKVTESA-N 302.418 2.553 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2NC1=O 8937826 KLPOLHRUIPRGFW-SVRRBLITSA-N 315.156 2.538 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1cc2ccccc2c(=O)[nH]1 53476816 GPLCONOZVVKFGT-INIZCTEOSA-N 304.349 2.945 0 40 DFAB CCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3ccccc32)cc1 100485379 UZRSYAVVPWXHLM-SFHVURJKSA-N 324.380 2.809 0 40 DFAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)C2CC2)cc1 100113901 ACINBMDDXXEKON-GRDNDAEWSA-N 301.386 2.864 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccnc1 12483171 SPUNPKXKJWJFEU-UHFFFAOYSA-N 302.355 2.584 0 40 DFAB O=C(Nc1cccnc1)c1cc(=O)c(OCc2ccccc2)co1 34082239 IXMZEWYLMQQOCF-UHFFFAOYSA-N 322.320 2.866 0 40 DFAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(O)CC1 23993293 GBNPTRUZHSODTQ-CYBMUJFWSA-N 304.434 2.768 0 40 DFAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCCCC2)CC1 20612520 RLQYDRJULMIPAH-UHFFFAOYSA-N 318.392 2.690 0 40 DFAB Cc1cc(C)c(N2C(=O)C[C@H](n3nc(C)cc3C)C2=O)c(C)c1 100820455 VAFWBKSTOUSSOM-HNNXBMFYSA-N 311.385 2.930 0 40 DFAB O=c1ccc(-c2nnco2)cn1Cc1c(F)cccc1Cl 43240848 XJBNLZQOTMMQCR-UHFFFAOYSA-N 305.696 2.739 0 40 DFAB Cc1noc([C@@H]2CCCN([C@H](C)c3nc(C(C)(C)C)no3)C2)n1 106827924 WTGPHDMPPPTIBL-ZYHUDNBSSA-N 319.409 2.999 0 40 DFAB CO[C@H]1CCC[C@@H](OC(=O)c2cn(Cc3cccs3)nn2)C1 76878055 JRUBGIWHMANSBC-NWDGAFQWSA-N 321.402 2.502 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 25330024 YBKIKNNLYVDBEU-INIZCTEOSA-N 317.458 2.847 0 40 DFAB CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CCOc2ccccc21 25449149 DPITVKPSJWEOTK-CQSZACIVSA-N 318.417 2.569 0 40 DFAB NC(=O)[C@H](NCc1ccccc1OC(F)(F)F)c1ccccc1 26225598 BAQDJBCWEMWGKJ-CQSZACIVSA-N 324.302 2.901 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1Cc2ccccc2CN1 35380260 MMXZNCUGSQMMSG-MOPGFXCFSA-N 306.409 2.895 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C 26981767 VRLQJLOCQQOSSD-OFQRWUPVSA-N 318.417 2.996 0 40 DFAB O=c1oc(-c2ccco2)nn1Cc1cc(Cl)c2c(c1)OCO2 57945090 QLPWRSVKQDOETC-UHFFFAOYSA-N 320.688 2.527 0 40 DFAB CN(CC(=O)Nc1nccs1)Cc1nc2ccccc2s1 44889316 ONNGYKSSNBCFGG-UHFFFAOYSA-N 318.427 2.823 0 40 DFAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 44940078 ZFVJKGMNPQQXMW-GXTWGEPZSA-N 305.374 2.594 0 40 DFAB COc1cccc(CN2CCC(NC(=O)C=C(C)C)CC2)c1 58378373 BHBQRHXZJJQQRZ-UHFFFAOYSA-N 302.418 2.742 0 40 DFAB Cc1nc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cs1 45344882 WLDAOGAALRAYHI-UHFFFAOYSA-N 319.386 2.522 0 40 DFAB CS[C@H](CNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1 78953690 PHHWZEJAFVPGQI-GFCCVEGCSA-N 322.821 2.745 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1CCCc1ccccc1 12950473 WVACEDQLBVPKKW-SFHVURJKSA-N 312.413 2.993 0 40 DFAB CCC(C)(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 18347035 CTKXEMCNQOUDMB-UHFFFAOYSA-N 324.730 2.825 0 40 DFAB COc1ccccc1N(C)C(=O)CSc1nc(C)cc(C)n1 65160109 OTKWXKPFVQZMTD-UHFFFAOYSA-N 317.414 2.857 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2sccc2C)CC1 65287558 RMYCRARXAWXEKN-UHFFFAOYSA-N 304.419 2.688 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc2c(c1)OCO2 6330479 WRGYCRIUWGMECS-DGCLKSJQSA-N 306.431 2.958 0 40 DFAB COc1c(CN[C@@H](C)Cn2nc(C)cc2C)c(C(C)C)nn1C 65474714 LIFWSMNCVALVGZ-ZDUSSCGKSA-N 319.453 2.544 0 40 DFAB CCNC(=O)c1cccc(NC(=O)Cc2cccc(OC)c2)c1 14084961 MUDLDZBVHLRCQN-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB O=C(O)c1ccc2[nH]c(COC(=O)C3CCCCC3)nc2c1 6493917 VEIVCAQUMJGOTQ-UHFFFAOYSA-N 302.330 2.885 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1 4517928 MXZWWURGZDMEIL-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB COc1ccc(-c2nnc(S)n2-c2cccnc2)cc1OC 6659184 NNIOBOZZIRMOPX-UHFFFAOYSA-N 314.370 2.635 0 40 DFAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccccc3F)n2)c1 6747748 AAYVFJDPWHJDKA-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB COc1ccc2c(=O)c(C(=O)Nc3ccccc3)c(N)oc2c1 6758999 FINDNUBYSXHEBF-UHFFFAOYSA-N 310.309 2.636 0 40 DFAB O=C(CN1CCC[C@H](c2ccccc2)CC1)Nc1nncs1 66897895 LFMPHHFCQUJRJY-AWEZNQCLSA-N 316.430 2.746 0 40 DFAB Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C 7376530 YWJFGZAXFZHRJD-UHFFFAOYSA-N 307.390 2.964 0 40 DFAB CCCC1=C(C(=O)OCC)[C@H](c2ccco2)n2nc(C)nc2N1 9341429 XLADDWICDULTCZ-AWEZNQCLSA-N 316.361 2.812 0 40 DFAB O=C1NCC[C@H]1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 91100166 HGIIDEXTUQGMRY-CQSZACIVSA-N 312.335 2.773 0 40 DFAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1 8315652 MEXQECQSZZIXGD-CYBMUJFWSA-N 309.435 2.539 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)c1 69454696 MCPFTAVHBUALID-CQSZACIVSA-N 303.431 2.968 0 40 DFAB CCCC(=O)NCc1cc(OC)c(OC)cc1Br 69652736 PMUAXLIOAQKZHU-UHFFFAOYSA-N 316.195 2.883 0 40 DFAB Cc1cc(CNC(=O)c2ccc(OCc3ccccn3)cc2)no1 96426291 OVTOUYRZGWEWDV-UHFFFAOYSA-N 323.352 2.887 0 40 DFAB O=C(CNc1cccc(CO)c1)NCc1ccc(Cl)s1 97037432 HZXGOYLCWKGQHT-UHFFFAOYSA-N 310.806 2.622 0 40 DFAB Cn1cc(CCC(=O)N2CCCC[C@@H]2c2nccs2)cn1 72272049 UFJUSLZTDWKIMN-CYBMUJFWSA-N 304.419 2.563 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)no1 72274120 SZVPCXDICNHFHF-KGLIPLIRSA-N 316.405 2.791 0 40 DFAB O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1cc(Cl)ccc1O 97107467 AKHWWJCPMRKFNH-UHFFFAOYSA-N 316.744 2.721 0 40 DFAB CCOc1ccc(S(=O)(=O)Cc2nnc(C3CCC3)o2)cc1 72312666 GSPSGAKUURSHEL-UHFFFAOYSA-N 322.386 2.710 0 40 DFAB CC1CCN(CCNC(=O)N2CCC[C@@H]2c2cccnc2)CC1 79267917 DACBCTATTUEDMP-QGZVFWFLSA-N 316.449 2.660 0 40 DFAB CC1(C)[C@@H](C(=O)Nc2ccnc3c(F)cccc23)[C@H]1C(=O)O 72401632 XWFZSSPCHCQDSF-NEPJUHHUSA-N 302.305 2.669 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccco2)CC1 97527651 PZOZSXNXNPUYQC-UHFFFAOYSA-N 316.426 2.788 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)[nH]n1 84517625 IWDMYJVUBJSGEZ-VOTSOKGWSA-N 317.292 2.841 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccsc2)cc1 95449784 IEXWCTKTWBSYNL-OAHLLOKOSA-N 320.414 2.632 0 40 DFAB Fc1ccc(-n2cc(CNC[C@H]3CSCCS3)cn2)cc1 75109936 FILKDZLYHUKFRW-HNNXBMFYSA-N 323.462 2.950 0 40 DFAB Cc1nccn1CCCN1CCN(CC2CCCCC2)CC1 89735679 XQQYKJKNSKVASF-UHFFFAOYSA-N 304.482 2.780 0 40 DFAB COC(=O)[C@H](NC(=O)c1cccc(-c2ccoc2)c1)C(C)C 89822753 ZENSJNPBXMNGJO-OAHLLOKOSA-N 301.342 2.874 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 89950062 ZMAAXUQCHQEDKU-CQSZACIVSA-N 306.431 2.569 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)ccc1F 75584286 GIDXNTFWCVXOSF-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=C(NCCC1CCCC1)C(=O)NCc1ccc(Cl)cc1 409243570 SQJFZMIYSRJKOE-UHFFFAOYSA-N 308.809 2.653 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2cccc(F)c2N)CC1 67800692 XBJVSNUEHBUXDL-UHFFFAOYSA-N 309.385 2.901 0 40 DFAB CN(C)CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 123781442 CJPBYEMSBQXRSM-UHFFFAOYSA-N 303.233 2.994 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccoc2)C1 120060246 LVRYUAKBUBJNMV-QWHCGFSZSA-N 308.378 2.845 0 40 DFAB C[C@@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)OC(C)(C)C 72203468 YFAITYMWAJRUNA-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB O=C(NCc1nccs1)N[C@@H](Cc1ccccc1)C1CC1 76952369 XECIUHQVDKQQNC-AWEZNQCLSA-N 301.415 2.964 0 40 DFAB COC(=O)c1cc(-c2ccc(/C=C/C(N)=O)o2)ccc1Cl 216910201 JEUTUWKYDJWGLV-QPJJXVBHSA-N 305.717 2.885 0 40 DFAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)C[C@@H]1C=CCC1)[C@@H]3C2 183815213 STQRXDVMVTWSAI-WBOJAVRRSA-N 323.458 2.710 0 40 DFAB CCc1nc(C)ncc1C(=O)N1CCN(C)c2cc(F)ccc21 72535228 YYMXTOAJRZQUED-UHFFFAOYSA-N 314.364 2.583 0 40 DFAB O=C(Nc1c(F)cccc1Br)[C@H]1CCCOC1 84246115 SRLFVEUABZGNNS-QMMMGPOBSA-N 302.143 2.953 0 40 DFAB C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccsc1 195542651 KDROWAVLZCYOMO-FZMZJTMJSA-N 303.383 2.664 0 40 DFAB COC(=O)CN(Cc1ccc(Cl)cc1F)C1CCOCC1 225450111 UAGWAXIDVGNIJN-UHFFFAOYSA-N 315.772 2.633 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)COC3CCCCC3)cc12 44409808 BKAZJFOXQPVEKH-UHFFFAOYSA-N 302.378 2.565 0 40 DFAB CCc1ccccc1S(=O)(=O)NCC1(c2ccccn2)CC1 194072849 CJJPAQCQHIHRCJ-UHFFFAOYSA-N 316.426 2.654 0 40 DFAB COC(=O)c1ccc(NC(=O)N(C)CCc2ccccn2)cc1 61286165 BNQFYGVRYVVRLY-UHFFFAOYSA-N 313.357 2.575 0 40 DFAB CC[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cnn(CC)c1 195544753 SCSVYCHVEIOLFQ-DLBZAZTESA-N 313.401 2.784 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn1 225426283 OTJJYZKLZNNIIE-OAHLLOKOSA-N 322.368 2.560 0 40 DFAB Cc1ccc(CNC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)o1 96192691 WGNFAGNCXNESOY-KRWDZBQOSA-N 316.332 2.927 0 40 DFAB Cc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)no1 95420855 ZRGLYPWWVJFYRZ-GFCCVEGCSA-N 301.346 2.790 0 40 DFAB O=C1[C@@H](SC[C@H](O)c2ccccc2)CCN1CC(F)(F)F 96410874 AVXSSRXGAKGRQN-RYUDHWBXSA-N 319.348 2.616 0 40 DFAB Nn1c(SC/C=C/c2ccccc2)nnc1C1CCOCC1 96430267 BKANAURFNBJGGD-QPJJXVBHSA-N 316.430 2.691 0 40 DFAB O=C(COC[C@H]1CCCO1)N1CC[C@@H]1c1ccc(Cl)cc1 96426799 JMPFLOLECOSLIP-HUUCEWRRSA-N 309.793 2.809 0 40 DFAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)CCC3)CC2 97198097 IOAACCGBBSGUGD-MRXNPFEDSA-N 324.428 2.635 0 40 DFAB CCCOc1cccc(CNC(=O)c2ncncc2Cl)c1 95408435 VPHJGLKVJYMDPP-UHFFFAOYSA-N 305.765 2.849 0 40 DFAB Cc1ccc([C@@H]2CN(c3nccnc3OC(C)C)CCO2)o1 97377464 ROZAUQUAZFKZCY-AWEZNQCLSA-N 303.362 2.743 0 40 DFAB C[C@@H](CN(C(=O)c1cnc(-c2ccoc2)s1)C1CC1)C(=O)O 97231858 MQMFRJVHPURFFZ-VIFPVBQESA-N 320.370 2.728 0 40 DFAB O=C(CCCc1ccccn1)NC[C@@H](O)c1ccccc1Cl 96419999 KTFCWHDMBOWQDE-MRXNPFEDSA-N 318.804 2.908 0 40 DFAB Cn1nccc1NC(=O)c1cccc(Cc2cccc(F)c2)n1 257324676 WPRFRDDBMGJGBG-UHFFFAOYSA-N 310.332 2.797 0 40 DFAB Cc1nccc(CNC(=O)N2CCC=C(c3ccccc3)C2)n1 252499796 SEPUCVUURJBGLL-UHFFFAOYSA-N 308.385 2.784 0 40 DFAB Cc1cc(CCCNS(=O)(=O)c2ccc(Cl)s2)on1 253473912 ZUTYYPLVYVADBI-UHFFFAOYSA-N 320.823 2.609 0 40 DFAB CC(=O)NCc1cc([C@H]2CCCN2Cc2nccs2)ccn1 257306124 SSZZTZPJTBCCPG-OAHLLOKOSA-N 316.430 2.511 0 40 DFAB CC(C)CN1CCC[C@@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099878 OOJBAIRBFLHDNA-SJLPKXTDSA-N 308.466 2.669 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN(C)C1CCCCC1)C2=O 56552570 ZTAVQRMQYGRLOP-UHFFFAOYSA-N 307.438 2.709 0 40 DFAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)n3ccnc3)[nH]n2)s1 71858801 VTSULQHZRFMXMW-SNVBAGLBSA-N 301.375 2.843 0 40 DFAB C[C@H](CNC(=O)c1cc2ccccc2o1)CC1(C)OCCO1 96418598 DNIJFZZSYMFXCY-LBPRGKRZSA-N 303.358 2.952 0 40 DFAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1cc(C)ccc1OC 12363012 APOLQFCNEAYEMX-KRWDZBQOSA-N 318.461 2.927 0 40 DFAB CC[C@H](CN1CCCCC1)NC(=O)Cc1cc(C)ccc1OC 12363014 APOLQFCNEAYEMX-QGZVFWFLSA-N 318.461 2.927 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 13391154 ODDUMJSSQBJIHV-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB Cc1cc(O)nc([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 19118141 QDIJEJIDGBXXID-CQSZACIVSA-N 315.348 2.536 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@@]1(O)CCCc2occc21 1888857181 DCNFBBRXKFTXMU-KRWDZBQOSA-N 319.788 2.816 0 40 DFAB CC(C)(C)c1cn2nc(C(=O)Nc3nccs3)ccc2n1 1888944461 GQNXUEGYDJDTJI-UHFFFAOYSA-N 301.375 2.736 0 40 DFAB CNC(=O)c1cnc([C@@H]2CCCCN2Cc2cccnc2)s1 1848355360 UNQUBLGBJRZATP-ZDUSSCGKSA-N 316.430 2.625 0 40 DFAB COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(C)cn2)C1 1848601316 HKRDBTHXBZIDSJ-UHFFFAOYSA-N 319.792 2.626 0 40 DFAB Cc1cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)no1 27438936 ULRIFABQMMCUSY-UHFFFAOYSA-N 317.364 2.517 0 40 DFAB COC(=O)c1sccc1NC(=O)COc1ccc(F)cc1 1424640 PMVMHWGMRXTHTM-UHFFFAOYSA-N 309.318 2.691 0 40 DFAB CCc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)cc1 4942322 UXNHQUCVANAARO-HNNXBMFYSA-N 318.398 2.953 0 40 DFAB O=C(Nc1cnc2ccnn2c1)c1ccccc1OC(F)(F)F 225574556 FHBRWFJARYFBTN-UHFFFAOYSA-N 322.246 2.880 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccsc1 25815395 HZXMEOJTVIDDFJ-ZDUSSCGKSA-N 305.403 2.646 0 40 DFAB CN1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 20031392 UZEDPOHMPQSZMR-UHFFFAOYSA-N 313.426 2.620 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1cc(-c2ccco2)[nH]n1 30687310 KIYIRPZCBOFVQV-UHFFFAOYSA-N 300.343 2.867 0 40 DFAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCO[C@@H](c2ccccc2)C1 30646720 HCYZRHRNAFLVTE-QGZVFWFLSA-N 323.352 2.883 0 40 DFAB Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 20220886 PXDNGGFLUNMKBP-UHFFFAOYSA-N 304.733 2.581 0 40 DFAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12 20462919 FDYDPDYKMFTSJH-UHFFFAOYSA-N 310.401 2.672 0 40 DFAB Cc1cc(C)n(CC(=O)NCCc2ccc(OC(C)C)cc2)n1 40514147 VWILJVZCBAZBEV-UHFFFAOYSA-N 315.417 2.646 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(OC)c1 183182 RYHCGGRPXDYTQF-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB O=C1NC(c2cccc(Br)c2)=N/C1=C\c1ccco1 17015288 GKWALXRXFJAEKR-WQLSENKSSA-N 317.142 2.960 0 40 DFAB CSc1ncc(Cc2ccc(OC(C)C)cc2)c(N)[n+]1C 535189 RVEHQFIDQWPMOR-UHFFFAOYSA-O 304.439 2.588 0 40 DFAB Cc1nnc2n1CCN(C(=O)[C@H]1CCC(C)(C)c3ccccc31)C2 69484833 VMJLLOZMZVNPPZ-HNNXBMFYSA-N 324.428 2.784 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)oc2ccccc21 2602250 FWGWAHUFKPNEHJ-STQMWFEESA-N 302.374 2.680 0 40 DFAB COc1ccc([C@H]2CCCN2c2cc(C)nc3ncnn23)cc1 32717204 ICTYJRRRAHWQDR-OAHLLOKOSA-N 309.373 2.783 0 40 DFAB O=C(NCCNc1nc2ccccc2s1)c1ccc(O)cc1 52356582 BXLLJUGBOGUFLV-UHFFFAOYSA-N 313.382 2.844 0 40 DFAB C[C@H](NC[C@H](O)COCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102396271 VOXVLYOCLFECHB-GBBGEASQSA-N 303.446 2.978 0 40 DFAB O=C(CNC(=O)c1ccco1)Nc1ccccc1C(F)(F)F 6227012 SKIKSPBPZWQESE-UHFFFAOYSA-N 312.247 2.667 0 40 DFAB CN(CC(=O)NC(=O)Nc1ccccc1F)c1ccccc1 7589515 SBMABQNCVMLUDM-UHFFFAOYSA-N 301.321 2.610 0 40 DFAB Cc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 411278 ITSFHNMZDZFUEF-UHFFFAOYSA-N 324.409 2.820 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccccn2)ccc1Cl 479816 ZONOOXMDWSXMBO-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC(C)N1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 565357 NWTSMDVBWKXIBO-KRWDZBQOSA-N 315.394 2.964 0 40 DFAB C[C@@H]1C(=O)N(C[C@@H](O)c2ccccc2)C(=O)N1c1ccccc1 22094926 WUPOWIVQLCHKME-CZUORRHYSA-N 310.353 2.577 0 40 DFAB CC1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 54070072 OMAFHXIBGKMDJT-CQSZACIVSA-N 313.405 2.770 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 42510731 QQRLSNAUIFSTAY-NEPJUHHUSA-N 303.431 2.888 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 3092906 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O=C(Nc1ccccc1-n1ccnc1)[C@@H]1COc2ccccc2O1 45860008 QWGLHEGRASGMAW-KRWDZBQOSA-N 321.336 2.651 0 40 DFAB COc1ccc(OCCNC(=O)c2ccccc2OC)cc1 12737880 KEFRLENPSFMRDQ-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB CC[C@H](NC(=O)c1cccc(-n2cnnc2)n1)c1ccccc1 21157446 DQFCOJUOUCJUQM-AWEZNQCLSA-N 307.357 2.543 0 40 DFAB O=C(CCc1ccccc1)Nc1ncn(Cc2ccccc2)n1 48326267 YYJKCDAPJHRLBK-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(Cl)cn1 69566169 CYJLBTHDGCDELZ-UHFFFAOYSA-N 319.748 2.600 0 40 DFAB Cn1cc(CCC(=O)Nc2cc(F)cc(N3CCCC3)c2)cn1 69537251 KYEBKGUEUBPRDD-UHFFFAOYSA-N 316.380 2.731 0 40 DFAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cscn1 62660741 QBFMKFMHLLEBJF-UHFFFAOYSA-N 303.265 2.732 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 12936787 OTOSYEDQQFFWDL-UHFFFAOYSA-N 319.382 2.836 0 40 DFAB O=C(NCc1ccccc1-n1ccnc1)NOCc1ccccc1 69776467 IBVZIEPIQGBXJY-UHFFFAOYSA-N 322.368 2.803 0 40 DFAB Cc1cc(C[S@](=O)Cc2nc(-c3ccccc3C)no2)no1 69704967 ZIJTVKPYCLBDQV-JOCHJYFZSA-N 317.370 2.790 0 40 DFAB Cc1ccc(-c2cc(=O)c3cc(OCC(N)=O)ccc3o2)cc1 5010041 XKACLTXJSRIUTI-UHFFFAOYSA-N 309.321 2.633 0 40 DFAB O=S(=O)(Nc1ccn(Cc2ccccc2)n1)c1ccccc1 14231330 QQZPYAQBOYQIQN-UHFFFAOYSA-N 313.382 2.732 0 40 DFAB O=C(O)CCCN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 5478190 UXFSVHTXFHKESH-PZXDNKHOSA-N 307.327 2.737 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@@H](c2cc3ccccc3o2)N1 9319441 NJFGUDCAICKHRH-HNNXBMFYSA-N 303.325 2.879 0 40 DFAB CC(C)Nc1nnc(S[C@H](C)C(=O)NC2CCCC2)s1 9313565 NZRHKOBSVXEMFC-SECBINFHSA-N 314.480 2.898 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCOc1ccccc1 7457556 RRHDOTGZGKQSIY-DOTOQJQBSA-N 304.434 2.692 0 40 DFAB COC(=O)c1cccc(C[n+]2cccc(Cn3cccc3)c2)c1 7814630 QMJLUPDJHYUESB-UHFFFAOYSA-N 307.373 2.659 0 40 DFAB O=C(CCc1cccs1)N1CCC(OC[C@@H]2CCCO2)CC1 81655170 DDCBWTMGZZNSAQ-HNNXBMFYSA-N 323.458 2.867 0 40 DFAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccn1 96002954 QBAJNZIYDKVXHZ-LLVKDONJSA-N 324.306 2.648 0 40 DFAB COCCn1cc2c(n1)[C@H](NCc1ccc(F)cc1)CCC2 96002710 XWSNBEXSNVVOGB-MRXNPFEDSA-N 303.381 2.836 0 40 DFAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccn1 8343333 KHVFXFHUXZDFKN-SECBINFHSA-N 304.733 2.955 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496988 MWQWAUGKDXVILP-MWLCHTKSSA-N 301.312 2.721 0 40 DFAB C[C@@H](NC(=O)NCCCOc1ccccc1)c1nccs1 71879686 NUPWHIRTVINFAF-GFCCVEGCSA-N 305.403 2.972 0 40 DFAB Cc1ccc(OC2CCN(C(=O)c3cnsn3)CC2)cc1C 71819884 YRBJQOAOYAYUDL-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB CO[C@H](C(=O)NCc1cn2cccc(C)c2n1)c1ccccc1 71896315 FCOVMQYGQYSFQG-INIZCTEOSA-N 309.369 2.647 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)n1 71830774 JFMAQNBKZYBEJU-XHSDSOJGSA-N 301.434 2.867 0 40 DFAB C[C@]1(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CCCS1 97049499 PVTBFLTWJKIUAA-UKRRQHHQSA-N 308.451 2.932 0 40 DFAB C[C@H]1CCCC[C@@H]1OCC(=O)NCc1nc2ccccc2n1C 71903339 QHHPPYFCJXPDKQ-BBRMVZONSA-N 315.417 2.785 0 40 DFAB CN1CCCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 97051199 TWNQRRLUYCCUDS-UHFFFAOYSA-N 310.829 2.575 0 40 DFAB O=C(NCC(=O)c1cccs1)c1coc(Br)c1 97022567 YBCWXFRPMNQSTD-UHFFFAOYSA-N 314.160 2.716 0 40 DFAB CC(C)COC[C@H](C)NC(=O)c1cc2cc(F)ccc2oc1=O 78877092 YTTIWGOSMVVIMH-NSHDSACASA-N 321.348 2.723 0 40 DFAB Cc1noc(C)c1C[C@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72292319 OSNUBWCOWRBCFB-SMDDNHRTSA-N 316.405 2.599 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)c(C)n1C(C)C 72278565 SPSGEXHCGDGJLV-CQSZACIVSA-N 300.406 2.627 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccsc3)C2)no1 72291364 UBDLPBDSYBIPPV-JQWIXIFHSA-N 305.403 2.949 0 40 DFAB COc1ccc(NC(=O)c2cc(C)nn2C)cc1OC(C)C 97138117 AFNRVNDZUXRPHX-UHFFFAOYSA-N 303.362 2.777 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CC[C@@H]1CCCO1)C2 97198386 JFCNONJWZMYSBF-KGLIPLIRSA-N 319.449 2.571 0 40 DFAB O=C(NNc1ncccn1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502094 IURKQMJLJKNCJP-QWRGUYRKSA-N 322.290 2.742 0 40 DFAB CCCC(=O)N1CCC(NC(=O)[C@H](CC)OC2CCCC2)CC1 95396467 HZFTXLNMCZSASL-INIZCTEOSA-N 324.465 2.632 0 40 DFAB CC(C)Oc1ccccc1CN1CCn2c(nnc2C2CC2)C1 84622056 XHYUHPPLMGAHNY-UHFFFAOYSA-N 312.417 2.959 0 40 DFAB CC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)c1nc(C)n[nH]1 84613899 PPWISTDZKJZQCN-NHYWBVRUSA-N 316.405 2.883 0 40 DFAB C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 95426225 HSEZYTGWURCNJF-CVEARBPZSA-N 323.481 2.652 0 40 DFAB CC[C@H](CC1CC1)NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 95426176 FFVUJRBGQQVOEY-IJEWVQPXSA-N 312.479 2.919 0 40 DFAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC2(CCCCC2)C1 95401714 KBRZEERNFDTCNU-OAHLLOKOSA-N 306.450 2.960 0 40 DFAB Cc1cc([C@H](C)NC(=O)NC[C@](C)(O)c2ccco2)c(C)o1 73901109 QEMKELOXGHMMDB-ZBEGNZNMSA-N 306.362 2.757 0 40 DFAB C[C@H](CS(=O)(=O)N1CCS[C@@H](C)[C@H]1C)c1ccccc1 95971368 OQQTVWWRRZGPJY-MCIONIFRSA-N 313.488 2.946 0 40 DFAB C[C@@H]1OCC[C@H]1S(=O)(=O)CCCc1ccc(Cl)cc1 95973636 NJCOXEVCUZJIJC-SMDDNHRTSA-N 302.823 2.865 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)NCC[C@H]1CCCO1 23189964 ZFMVOPYKPDFFRS-OAHLLOKOSA-N 314.385 2.960 0 40 DFAB CCCn1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 95991561 DHKHEPKVCFTSOA-LBPRGKRZSA-N 307.419 2.870 0 40 DFAB CC[C@@H]1CN(C(=O)CCNC(=O)OC)CC[C@H]1c1ccccc1 74264987 LHUOMLKVEGVTJZ-GDBMZVCRSA-N 318.417 2.775 0 40 DFAB CNc1nc(CNC(=O)Nc2ccc3c(c2)CCCO3)cs1 85580722 OZNGNGYFZUCHDW-UHFFFAOYSA-N 318.402 2.832 0 40 DFAB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCC2(CC1)OCCO2 74652173 ZMHNYYOETKZQRO-HUUCEWRRSA-N 308.422 2.504 0 40 DFAB O=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccc(Cl)s1 89800127 DFEHZXVXKIYUED-GFCCVEGCSA-N 301.820 2.784 0 40 DFAB O=S(=O)(Nc1ccc(Cl)cn1)c1cccc(F)c1F 69674476 UQDIXSLOJVKPBE-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB C[C@H]1c2sccc2CCN1C(=O)Cn1nnc2ccccc21 1558151343 PTXGCOMMKRWXMB-NSHDSACASA-N 312.398 2.639 0 40 DFAB C[C@@](O)(CNC(=O)CSc1ccc(F)cc1)c1ccco1 75156221 VJFWZEVEZIZJJE-OAHLLOKOSA-N 309.362 2.535 0 40 DFAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 218059946 RLGBCRXMAXFZDA-HRCADAONSA-N 321.829 2.855 0 40 DFAB Cn1cc(CCCOC(=O)c2csc(-c3ccoc3)n2)cn1 78714726 GPAVWPJFNAXIBG-UHFFFAOYSA-N 317.370 2.926 0 40 DFAB COc1cc(NC(=O)c2snnc2C)c2ncccc2c1 38490499 GULPWPVZYNMDGP-UHFFFAOYSA-N 300.343 2.656 0 40 DFAB COc1ccsc1C(=O)Nc1cccnc1-n1ccnc1C 79351930 CQQSPTWXTQICCZ-UHFFFAOYSA-N 314.370 2.898 0 40 DFAB CCCNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 32856044 DSDDHXLROCZXRB-UHFFFAOYSA-N 323.458 2.916 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1 70966267 DYNYFJZWXAAJTP-HXUWFJFHSA-N 324.424 2.780 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@@H]2c2ccc(F)cc2)cc1 218561594 SVXIUGWFYGUGTA-IXDOHACOSA-N 320.385 2.682 0 40 DFAB COc1cc(OC)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957077 NQSDKJUZLOWBFX-SNVBAGLBSA-N 318.402 2.541 0 40 DFAB CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078617 JIXQEMGOFPGSLN-UHFFFAOYSA-N 308.381 2.948 0 40 DFAB C[C@H](O)c1ccc(CCNC(=O)NCc2ccccc2)s1 225690302 BITCMUZKBPHHNR-LBPRGKRZSA-N 304.415 2.843 0 40 DFAB CN(C)c1ncc(NC(=O)c2ccc(Cl)cc2)c(N(C)C)n1 224349028 UNABPNFZOHAMQT-UHFFFAOYSA-N 319.796 2.514 0 40 DFAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222756071 FBTOOXISKFOUQC-OAHLLOKOSA-N 304.434 2.832 0 40 DFAB Cc1cnc([C@H](C)CNC(=O)c2nc3c(s2)CCC3)s1 571862658 GACAQHLYEHSOLW-MRVPVSSYSA-N 307.444 2.930 0 40 DFAB C[C@H]1OCC[C@@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 96483990 FEYNKBZKVIZKDC-LITPITGPSA-N 308.428 2.631 0 40 DFAB CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3OCC2CC2)c1 96253650 HTOVQPMCYGDDPL-KBAYOESNSA-N 314.429 2.782 0 40 DFAB CN(C)[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccncc1 96200978 NBDMQMXHAMNHAG-SJORKVTESA-N 301.459 2.890 0 40 DFAB CC[C@@H](NC(=O)CCCNC(=O)OC)c1ccc(F)cc1F 96413854 FVARPPKRNRHWFU-CYBMUJFWSA-N 314.332 2.668 0 40 DFAB C[C@H]1SCCN(CCN2CCCC2=O)[C@H]1c1ccccc1 96411371 RQZXDLQVWDPTKJ-RHSMWYFYSA-N 304.459 2.787 0 40 DFAB COC(=O)[C@@H](C)CN(C)c1nc(C(F)F)nc2ccccc12 96482651 MHSCINAQDMFNPJ-VIFPVBQESA-N 309.316 2.813 0 40 DFAB Cc1occc1C(=O)N1CCC2(CC1)CCN(CC(C)C)C2=O 96157734 DLVVACQKUWOHHT-UHFFFAOYSA-N 318.417 2.699 0 40 DFAB COCCCn1ccc(NC(=O)NCc2ccc(C)s2)n1 96413439 XFRRRJWEGULDHU-UHFFFAOYSA-N 308.407 2.611 0 40 DFAB COc1cccc([C@@H]2C[C@@H]2C(=O)NC2CCN(C3CC3)CC2)c1 96404624 XBSMXVITSIUNLO-ROUUACIJSA-N 314.429 2.542 0 40 DFAB CN(C)CCOc1ccc(NC(=O)C2=COCCC2)cc1Cl 95398025 ZSIZJQMEFXZCRM-UHFFFAOYSA-N 324.808 2.913 0 40 DFAB C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1nccn1C 95421776 LVWUGHVZOLYGPH-NSHDSACASA-N 306.797 2.580 0 40 DFAB c1cncc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)c1 96222527 FGTXYVOXKVWCID-ROUUACIJSA-N 314.385 2.877 0 40 DFAB O=C(Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1)c1ccco1 95475800 YNNWQSIXKSLMHT-UHFFFAOYSA-N 321.340 2.917 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(NC(=O)C3CC3)CC2)C1(C)C 42003780 LNAPCWVNPBCIBH-JKSUJKDBSA-N 318.461 2.742 0 40 DFAB COCC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257251732 JRXYJSOTAQDJJV-HNNXBMFYSA-N 318.348 2.714 0 40 DFAB Cc1cc(OC[C@]2(O)COCCN(C3CCCC3)C2)ccc1F 585280905 CADFFANSSSFXSK-GOSISDBHSA-N 323.408 2.519 0 40 DFAB CCOc1cc(F)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 48383540 SDCBULDXAHPAPW-VXGBXAGGSA-N 307.321 2.830 0 40 DFAB Cc1ccc2nc(C(=O)Nc3cn(C)nc3C(F)F)cn2c1 1538191909 NWRZKZHJLSGMGS-UHFFFAOYSA-N 305.288 2.566 0 40 DFAB CN(Cc1ccccn1)C(=O)c1ccc2c(c1O)OC(C)(C)C2 69743907 IVIDLDQNRZSKPS-UHFFFAOYSA-N 312.369 2.773 0 40 DFAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)sc2ccccc21 74783877 ZIYSWWIAMPBQRC-LBPRGKRZSA-N 304.415 2.854 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](Oc2nccs2)C1 585320286 UKRGBXSWRRESIJ-OCCSQVGLSA-N 318.398 2.590 0 40 DFAB Oc1cc(I)c(Br)cc1F 2525217 DNETUGBNNNHJCR-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB CCn1c(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21 12481962 NXHZFVSKZQRFLR-UHFFFAOYSA-N 324.384 2.612 0 40 DFAB COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 13011098 QYMADXVLTIIKMO-INIZCTEOSA-N 318.442 2.718 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 15424549 JLTHSCIOBSVITQ-UHFFFAOYSA-N 320.274 2.690 0 40 DFAB CC(C)(C)c1ccc(C(=O)n2nc(C(F)(F)F)nc2N)cc1 16757121 HMWAKAFNRBCBAJ-UHFFFAOYSA-N 312.295 2.865 0 40 DFAB COc1ccccc1C1(CNC(=O)c2ccco2)CCOCC1 16969958 RKDKFVZDJQYFPT-UHFFFAOYSA-N 315.369 2.766 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 17321764 SEIBYZDUNYFPEO-LBPRGKRZSA-N 306.381 2.593 0 40 DFAB Cc1nc2sc3c(c2c2nc(/C=C\C(=O)O)nn12)CCCC3 6208563 RTCMHHLIUJJIDZ-SREVYHEPSA-N 314.370 2.624 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(OC)cc2C)C(=O)O)[nH]1 7342528 DNWIZWKCBNFLHC-WQLSENKSSA-N 319.386 2.902 0 40 DFAB C[C@@H](O)c1ccc(CCNC(=O)c2noc3c2CCCC3)s1 225688165 FKTGWMYRBRORFY-SNVBAGLBSA-N 320.414 2.641 0 40 DFAB CC(C)C(=O)Nc1ccc(SCCN2CCCCC2)nn1 13702172 FPMCYRSAGDZGBP-UHFFFAOYSA-N 308.451 2.649 0 40 DFAB CCCCCN1CCc2nc(-c3cccnc3)nc(O)c2CC1 19502213 HCPPNJQIXDXWIM-UHFFFAOYSA-N 312.417 2.835 0 40 DFAB O=C(CCc1cccc(F)c1)Nc1n[nH]c(C(F)(F)F)n1 26252944 QBLQCOWYPSMKJC-UHFFFAOYSA-N 302.231 2.534 0 40 DFAB Cc1c(C)n2c(C3(C4CC4)CC3)nnc2c(=O)n1CC1CCC1 1777699109 ZLTYIDKHKFGNFO-UHFFFAOYSA-N 312.417 2.750 0 40 DFAB CN1CCCC[C@@]2(CN(Cc3ccccc3Cl)CCO2)C1=O 2037984045 OHJGCYILUVPDPE-QGZVFWFLSA-N 322.836 2.553 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCn2c(-c3ccco3)cnc2C1 1565555264 DPZCFVXDTITKOC-UHFFFAOYSA-N 324.340 2.665 0 40 DFAB CC(C)(CNS(=O)(=O)CCC(F)(F)F)c1ccsc1 1565523855 YUHUPPZJUMYPNW-UHFFFAOYSA-N 315.382 2.898 0 40 DFAB CC(=O)N[C@@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl 27025810 UXYIKMWQEBMLDU-JTQLQIEISA-N 310.564 2.710 0 40 DFAB CCc1nccn1CC1CN(c2ccc(C(F)(F)F)cn2)C1 2086882988 MVNNGQBAHKASGK-UHFFFAOYSA-N 310.323 2.996 0 40 DFAB CC(C)(C)c1cn2nc(NCCCN3CCCC3=O)sc2n1 40490518 AZASSVXIGRJADR-UHFFFAOYSA-N 321.450 2.513 0 40 DFAB Cc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)o1 40555191 UZWVXBZUDVLUDQ-UHFFFAOYSA-N 313.279 2.844 0 40 DFAB Cc1ncsc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 40529195 YREKPAHTEIAUIP-VIFPVBQESA-N 304.371 2.714 0 40 DFAB Cc1nc2c3c4c(sc3ncn2n1)C(C)(C)NC(C)(C)C4 20549022 PDFJUXADMLVBHB-UHFFFAOYSA-N 301.419 2.807 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2cccs2)cc1C 51356026 OGAMGONARNORAV-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)c2ccc(C)s2)c1 69809962 GPYASVAOUPTGLS-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB Cc1ccc(NC(=O)CN(C)C2CCN(C)CC2)c(Cl)c1 2655724 SVYHEGAUXUUBLY-UHFFFAOYSA-N 309.841 2.613 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)nc1 102211834 WALAIACBLRXHMO-NTZNESFSSA-N 324.808 2.833 0 40 DFAB CN1CCC(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 2803378 XIUHQXAPMXMZHH-GFCCVEGCSA-N 319.449 2.650 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nncs2)c1 3389421 PZWNRDXMUYYBSC-SECBINFHSA-N 307.400 2.860 0 40 DFAB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)CCC1=O 2731553 SCDYARSREIIFKQ-UHFFFAOYSA-N 317.776 2.855 0 40 DFAB COc1cccc([C@H](O)[C@@H]2OC(=O)c3ccccc32)c1OC 481107 DPHMEZJUJBULLJ-GOEBONIOSA-N 300.310 2.649 0 40 DFAB COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 2701538 HPFVQAYLQOSFOL-UHFFFAOYSA-N 310.357 2.786 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccccc1Br 102700571 XZPWVJAEXUPHCP-VXGBXAGGSA-N 320.186 2.900 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)no1 21835672 FCQQQMJUVOHAKD-LBPRGKRZSA-N 304.350 2.535 0 40 DFAB CCOc1ccc(Br)cc1CN[C@@H](CC)CO 8326307 FAZAYOLYZWSVRO-LBPRGKRZSA-N 302.212 2.708 0 40 DFAB CC(=O)N[C@@H](C)c1ccc(C(=O)COC(=O)c2ccco2)cc1 8526381 ACNLYNWFLYMQNH-NSHDSACASA-N 315.325 2.516 0 40 DFAB Cn1ccs/c1=N\C(=O)c1occc1COc1ccccc1 22275903 IMWBTCVNZKFJKF-MSUUIHNZSA-N 314.366 3.000 0 40 DFAB CN(Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1CC1 53611024 FDEGKIIXIZZFDJ-UHFFFAOYSA-N 301.415 2.751 0 40 DFAB COCc1cccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 47416602 FOTHFEWULUQPRC-HOTGVXAUSA-N 318.461 2.931 0 40 DFAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1C 22699926 RGXIJPGYCRQTQA-MRXNPFEDSA-N 311.385 2.522 0 40 DFAB COc1cccc(C(=O)OCc2nc(N)c3ccccc3n2)c1 9208191 BGVHQCRZAHFWTP-UHFFFAOYSA-N 309.325 2.578 0 40 DFAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccsc2)CC1 23073988 RWJWNNTVPXLUFV-GFCCVEGCSA-N 308.447 2.761 0 40 DFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccs1 23105689 YJCGJGIOASSWLG-LBPRGKRZSA-N 322.455 2.613 0 40 DFAB Cc1noc(C)c1CSCC(=O)n1cccc/c1=N\C(C)C 23197523 HAZCFZNEQLBBTP-BMRADRMJSA-N 319.430 2.976 0 40 DFAB COC(=O)c1ccoc1COC(=O)c1ccc2ccccc2n1 23444755 XDRMJTRVLDREFS-UHFFFAOYSA-N 311.293 2.971 0 40 DFAB Cc1c([C@H](C)NC(=O)c2csc(-c3ccco3)n2)cnn1C 25004139 KYHUWTFAYNWMNS-VIFPVBQESA-N 316.386 2.936 0 40 DFAB Cc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 12562294 BTWREJHAOFGHDM-UHFFFAOYSA-N 319.368 2.502 0 40 DFAB CCOc1ncccc1C(=O)Nc1cccc(Cn2ccnc2)c1 25176901 WINKGOFUKCXALA-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB CCc1nc(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cs1 97048189 PEOVUBMQESXYIK-LLVKDONJSA-N 311.451 2.851 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2OC)cc1 54363325 BMGHQIZKWDCRPU-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB COc1cc(CN[C@@H](C)c2ccccn2)cc2c1OCCO2 25359190 SBKZCXMMWOGVFN-LBPRGKRZSA-N 300.358 2.712 0 40 DFAB Cc1cccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 21057013 VELXXQKHEYIBHD-GASCZTMLSA-N 304.434 2.613 0 40 DFAB COC(=O)N(C)c1ccc(NC(=O)CCOCC(C)C)cc1 56450333 BJWZCYIEVSEAJV-UHFFFAOYSA-N 308.378 2.890 0 40 DFAB O=C(OCC(=O)c1ccccc1Br)c1ccccn1 3297047 DSFOORUXZCERMO-UHFFFAOYSA-N 320.142 2.884 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 57547533 GGXXPXMHSCFNRV-GFCCVEGCSA-N 310.353 2.851 0 40 DFAB CCN(C[C@H](O)c1cccc(O)c1)C(=S)Nc1cccnc1 3369340 NYOZSZYKXWHRNC-HNNXBMFYSA-N 317.414 2.540 0 40 DFAB COc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1F 3393876 UMYQEDPVQNEFNY-UHFFFAOYSA-N 303.120 2.746 0 40 DFAB CCCn1cc(NC(=O)c2ccc(N(C)CC)cc2)ccc1=O 58282319 MRYJIEHYTJFOMZ-UHFFFAOYSA-N 313.401 2.967 0 40 DFAB Cc1ccc(C(=O)NC[C@H](O)CO[C@H](C)c2ccccc2)s1 58210597 GJHDCXPIMAUCKS-HIFRSBDPSA-N 319.426 2.925 0 40 DFAB CCOc1ccccc1NC(=O)CN(C)Cc1csc(C)n1 48375190 GZYSGBUYOQIILT-UHFFFAOYSA-N 319.430 2.921 0 40 DFAB Cc1nc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2o1 12879541 QVOLWVDUVMLJBZ-NWDGAFQWSA-N 300.314 2.742 0 40 DFAB O=C(NC1=NCCS1)c1cccnc1SC1CCCC1 48626329 BKJQORJEZNRBRJ-UHFFFAOYSA-N 307.444 2.949 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)Nc1nnc(C(C)(C)C)s1 48665407 XRYRZTPNXORVNR-LURJTMIESA-N 311.329 2.742 0 40 DFAB Cc1ccccc1OCCN1C(=O)N[C@H](Cc2ccccc2)C1=O 8726560 VPCTZWUIVKBTJD-MRXNPFEDSA-N 324.380 2.537 0 40 DFAB Cc1nnc(SCc2nc(-c3ccc(F)cc3)no2)n1C 18781371 WKISNRSDVAAUTE-UHFFFAOYSA-N 305.338 2.605 0 40 DFAB Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O 19973904 PEQYWHDJUBGZGN-UHFFFAOYSA-N 320.396 2.986 0 40 DFAB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(noc2C)C[C@@]1(C)O 4177246 DWXONTTXPOFYOP-BRWVUGGUSA-N 303.333 2.766 0 40 DFAB C[C@@H]1SCCN(C(=O)c2cnn(-c3ccccc3)c2)[C@H]1C 71911072 SKAUXJITHHDTJV-STQMWFEESA-N 301.415 2.838 0 40 DFAB O=C([C@H]1C[C@H]1c1cccnc1)N1CCC(CN2CCCC2)CC1 71903992 ZDVZQGMJVYUCIL-ROUUACIJSA-N 313.445 2.520 0 40 DFAB Nc1nc(Cl)cc(Sc2nccn2Cc2ccccn2)n1 71904245 FKKJHEHIODFELI-UHFFFAOYSA-N 318.793 2.503 0 40 DFAB Cc1cc(C(=O)NCc2nc(C3CC3)no2)c(C)n1C1CC1 65006064 SRIASSDPWKZACJ-UHFFFAOYSA-N 300.362 2.630 0 40 DFAB CC1CCN([C@@H](C)CNC(=O)N2CCc3ccccc32)CC1 65303103 HYPZWOLFFMLYOD-HNNXBMFYSA-N 301.434 2.879 0 40 DFAB COC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 14086371 PLTRNMHAMSVTBL-ONXXMXGDSA-N 315.369 2.807 0 40 DFAB O=S(=O)(Nc1cccc2[nH]ncc12)c1cccc(F)c1F 65610218 VYTBXUCVATUKLO-UHFFFAOYSA-N 309.297 2.642 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 65667784 YKXBOFBNISXRAL-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB CCn1cc2nc(S)n(Cc3ccc(Cl)cc3)c(=O)c2n1 67341777 GVFSCIFTBWFKFY-UHFFFAOYSA-N 320.805 2.603 0 40 DFAB C[C@@H](OC(=O)c1ccsc1)c1nc2ccccc2c(=O)[nH]1 7136363 WDTXVAKMJZIRMO-SECBINFHSA-N 300.339 2.903 0 40 DFAB Cc1[nH]c(C(=O)NCc2ccco2)c(C)c1C(=O)OC(C)C 9314757 OOYHPDZJOTZBJE-UHFFFAOYSA-N 304.346 2.720 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N2CCCCCCC2)c1 16094032 BIYDKJDAFPXHGZ-UHFFFAOYSA-N 313.419 2.659 0 40 DFAB Cc1noc(C)c1COC(=O)c1cncc(Br)c1 7779420 UNQVTEQKVUQOFL-UHFFFAOYSA-N 311.135 2.806 0 40 DFAB CN(Cc1ccc[nH]1)C(=O)c1cccnc1Oc1cccnc1 80974365 FQRXUWSRFLGBTI-UHFFFAOYSA-N 308.341 2.869 0 40 DFAB Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2)c2ccccc2n1 16766641 RVPPINUQXZGPOE-UHFFFAOYSA-N 320.348 2.999 0 40 DFAB CCN1CCCN(C(=O)c2c(C)oc3ccc(OC)cc23)CC1 69458548 MPRWIYFKMVUOOX-UHFFFAOYSA-N 316.401 2.918 0 40 DFAB Cc1nc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)sc1C 69698160 ADUBVJCSZYOGIN-SECBINFHSA-N 309.435 2.783 0 40 DFAB Cc1cnn(C[C@H](C)N[C@H](C)c2nc(-c3ccccc3)no2)c1 69629773 LAVKAEQIRVMYFQ-UONOGXRCSA-N 311.389 2.981 0 40 DFAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 71830783 XNHREYPQVAKHSP-UMVBOHGHSA-N 316.449 2.765 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c(F)cccc2s1 71829845 FWNSLFUFNYZBRR-ZJUUUORDSA-N 320.389 2.766 0 40 DFAB CCc1ccc(NC(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1CC 97161803 JFWBQZURSZEPDN-GUYCJALGSA-N 320.433 2.815 0 40 DFAB C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)c1ccc(Cl)c(F)c1 97108105 IVLVGEIACZEBJS-HOSYDEDBSA-N 314.788 2.952 0 40 DFAB CC(C)Cc1noc(CN2CCC[C@H]2c2noc(C3CC3)n2)n1 72300090 HTOZFRAATSMOJI-LBPRGKRZSA-N 317.393 2.866 0 40 DFAB O=C(c1cn2cccnc2n1)N1CC=C(c2cccs2)CC1 84437063 BLNNWUITBRJUKK-UHFFFAOYSA-N 310.382 2.720 0 40 DFAB CC(C)(C)OC(=O)NCCOc1cncc(Br)c1 95093425 UUHLMDXHTZWKDZ-UHFFFAOYSA-N 317.183 2.748 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1C[C@@H]1c1cccnc1 84613307 WAVWJWJJATYOCF-VXGBXAGGSA-N 323.381 2.737 0 40 DFAB Cc1nc(C(=O)NCCc2cnc[nH]2)c(-c2ccccc2)s1 79480205 KVURYFIELZQARC-UHFFFAOYSA-N 312.398 2.814 0 40 DFAB C[C@]1(C(=O)O)CCCN1C(=O)c1csc(Br)c1 79478516 PMHFAHXBTFAJSW-LLVKDONJSA-N 318.192 2.590 0 40 DFAB O=C(NCc1cccc(CO)c1)N1CC[C@H](Cc2ccccc2)C1 74109091 BUQBRGUTNPUYEX-GOSISDBHSA-N 324.424 2.953 0 40 DFAB FC(F)COc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1 95988186 GHCYFNAAOHLWSE-MAZHCROVSA-N 324.371 2.773 0 40 DFAB COc1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C 95963741 CBNGQANQLNZEBM-WBVHZDCISA-N 312.369 2.783 0 40 DFAB NS(=O)(=O)c1cnc(N[C@@H]2CCCCc3ccccc32)s1 95938948 QFTRATNYECRJNN-GFCCVEGCSA-N 323.443 2.670 0 40 DFAB CCS[C@@H](C)c1noc(CN(C)CCCn2ccnc2)n1 89274816 YBIDHNGMCCVASZ-LBPRGKRZSA-N 309.439 2.602 0 40 DFAB COc1ccc(CNC(=O)Nc2sc(C)nc2C)cc1O 75107816 PBBVFDXHXNSFKR-UHFFFAOYSA-N 307.375 2.796 0 40 DFAB c1cncc(CN2C[C@@]3(CCN(CC4CC4)C3)c3ncccc32)c1 306129205 HXLZLZKVZVUOJM-FQEVSTJZSA-N 320.440 2.850 0 40 DFAB CCC[C@@H]1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1 89950032 YFPPCIJZQUXSAD-OAHLLOKOSA-N 318.421 2.766 0 40 DFAB CC(C)c1csc(NC(=O)c2cccc3c2OCC(=O)N3)n1 75583835 RRPDNYGHZNPABL-UHFFFAOYSA-N 317.370 2.850 0 40 DFAB C[C@H](C(=O)Nc1ccccc1F)n1cc(Br)cn1 28224052 PGXANWODNPIDBB-MRVPVSSYSA-N 312.142 2.984 0 40 DFAB O=Cc1ccnc(C(F)(F)F)c1I 307108823 JJWJSTJJMQRRTR-UHFFFAOYSA-N 301.005 2.518 0 40 DFAB Cc1ccsc1CNC(=O)CCc1nc(C(C)(C)C)no1 24695939 JOLFZYUVNATULB-UHFFFAOYSA-N 307.419 2.986 0 40 DFAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217714308 BRVMAULZVAOCJR-UHFFFAOYSA-N 320.370 2.617 0 40 DFAB O=C(OCc1cccs1)c1cccc(C(=O)N2CCCC2)n1 76851602 NTTZCEGJYAGJIE-UHFFFAOYSA-N 316.382 2.736 0 40 DFAB Cc1nc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cs1 76712011 DNEGBJHKCWOLIS-VIFPVBQESA-N 301.371 2.829 0 40 DFAB O=C(Nc1ccc2cc[nH]c2c1)C1CCN(c2ncccn2)CC1 71285115 KZERLTOPFSOFMP-UHFFFAOYSA-N 321.384 2.813 0 40 DFAB COC(=O)c1nc(NC(=O)c2cccnc2)sc1CC(C)C 72401818 NQWWSOFNACRFNZ-UHFFFAOYSA-N 319.386 2.776 0 40 DFAB CCCc1nnc2c(=O)n(Cc3ccc(Cl)cc3)ccn12 12415167 JIBKUMFBFKBLGB-UHFFFAOYSA-N 302.765 2.545 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1 78985466 QUXWGBOFXLZBBY-CABCVRRESA-N 303.358 2.759 0 40 DFAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1 224043363 BTBHUNKZXZOHPD-UHFFFAOYSA-N 321.789 2.950 0 40 DFAB CN(CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)nc1 80912000 NSDRFVDUGXOJFC-UHFFFAOYSA-N 315.804 2.756 0 40 DFAB O=C(CCn1ncc2c(Cl)cccc21)NCc1ccncc1 40759423 UGNDNIUSXNEGCC-UHFFFAOYSA-N 314.776 2.791 0 40 DFAB Cn1cccc1[C@H]1COCCN1Cc1noc(-c2ccccc2)n1 131806774 GELHOUWUJVNVQL-MRXNPFEDSA-N 324.384 2.649 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C)c2)C1 40160909 HWLPWSOKMYOQGJ-GJZGRUSLSA-N 319.401 2.564 0 40 DFAB CO[C@H](CNC(=O)c1cnoc1C)c1ccc(Cl)s1 225704085 MHEOEZYORNCDIW-SECBINFHSA-N 300.767 2.815 0 40 DFAB COC(=O)c1c(F)cccc1NCc1nnsc1Cl 195537976 OPCMOBDUIATHFC-UHFFFAOYSA-N 301.730 2.729 0 40 DFAB CO[C@H](CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 195564687 IQRCJIMBZBSODN-GVDBMIGSSA-N 318.417 2.631 0 40 DFAB C[C@@H](NCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 195561427 KDYKKFZSDZUIEV-SSDOTTSWSA-N 313.785 2.739 0 40 DFAB C[C@]1(C(=O)Nc2ccon2)CC(c2ccccc2Cl)=NO1 96192904 BJEQVBNRGWLBIF-CQSZACIVSA-N 305.721 2.850 0 40 DFAB CCOc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(COC)C2)c1 96109152 JIKJBKRPXZJEOH-QAPCUYQASA-N 303.402 2.974 0 40 DFAB Cc1ccc(CN2CCc3ncnc(N4CCCC4)c3CC2)o1 96058718 GXOSOQJANCIPEO-UHFFFAOYSA-N 312.417 2.579 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)C1 96193008 QDCAMYDUCZEJMX-SJKOYZFVSA-N 304.365 2.967 0 40 DFAB COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2cnoc2C)cc1 583624115 RSOYSUGXKWWZKN-MSOLQXFVSA-N 316.401 2.864 0 40 DFAB CC[C@@H]1CCc2sc(C(=O)NCCCn3cncn3)cc2C1 41862441 RORXXIPXOMGPLS-GFCCVEGCSA-N 318.446 2.675 0 40 DFAB CCc1cc(C(=O)N2CCC[C@@H](c3ccnc(NC)c3)C2)on1 257318581 VOOOXFKAZXVXBJ-CYBMUJFWSA-N 314.389 2.694 0 40 DFAB Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCNC3)ccc12 257206982 BFSBOEZBXOERGT-ZDUSSCGKSA-N 305.385 2.741 0 40 DFAB Oc1cc([C@@H]2CCCCN2Cc2cscn2)nc2nccn12 257304313 SKZNHTVVQJFKTF-ZDUSSCGKSA-N 315.402 2.619 0 40 DFAB CO[C@H]1CN(C(=O)c2ccc3oc(C)cc3c2)C[C@@]12CCCO2 257264542 LUXMXHBWUOOYBN-WMZOPIPTSA-N 315.369 2.761 0 40 DFAB Cc1cc(C(F)(F)F)nc([C@H]2CCCN2c2ncccn2)n1 257231220 GFVKLFNGVKPQPT-SNVBAGLBSA-N 309.295 2.935 0 40 DFAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1S(N)(=O)=O 604941641 MVQFMCZPHKMANB-UHFFFAOYSA-N 322.333 2.785 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCCN2C)n1 257200360 ACYOUQJVOFMGNI-QGZVFWFLSA-N 310.401 2.516 0 40 DFAB C[C@@H]1CCC[C@@H](c2nc(CC(=O)NCc3ccco3)no2)C1 350685949 PVVGGEOJQBUXCL-VXGBXAGGSA-N 303.362 2.815 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)c1 55548573 QBYSLOPFUTUAGN-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cc1nc(C(C)(C)C)nc(N2CCC[C@H](n3cncn3)C2)c1C 69697571 UICJAZKJNKQASK-AWEZNQCLSA-N 314.437 2.824 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3ccoc3C)CC2)cs1 69810424 SXFWJPWELWDNAX-UHFFFAOYSA-N 319.430 2.701 0 40 DFAB CC(C)[C@H](C(=O)N[C@H]1CC(C)(C)OC1(C)C)N1CCCCC1 95994522 ZUJRCUGEOZBHJS-LSDHHAIUSA-N 310.482 2.959 0 40 DFAB C1=NC2=NC3=C(COc4ccccc43)[C@@H](c3cccs3)N2N1 13127121 TXVAHHFZOAPEOR-HNNXBMFYSA-N 308.366 2.811 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 13737177 MKLRNASUCHPLJG-UGFHNGPFSA-N 305.374 2.763 0 40 DFAB CCC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 16739460 KKFOLMRJEYQFJU-BFYDXBDKSA-N 319.445 2.997 0 40 DFAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(c3ncccn3)CC1)O2 19219295 SXHVCJZZNZQAAS-OAHLLOKOSA-N 311.385 2.640 0 40 DFAB CCC(=O)N1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1 19704588 HPUDTXAIVDLSKN-LBPRGKRZSA-N 317.364 2.854 0 40 DFAB CCCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937559 ADHVGJOYHPWFRP-UHFFFAOYSA-N 319.792 2.549 0 40 DFAB Cc1ccccc1N1CCN([C@@H](C(=O)O)c2ccco2)CC1 169726895 BZIZDTOYTQMFPN-MRXNPFEDSA-N 300.358 2.536 0 40 DFAB Cc1nnc(S/C(=C\c2cc(Cl)ccc2O)C(=O)O)[nH]1 8272205 IJQPICAWADHZHG-YHYXMXQVSA-N 311.750 2.690 0 40 DFAB Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)CCO3)n1 30372826 ZSACBRIFYYYPCM-UHFFFAOYSA-N 315.398 2.759 0 40 DFAB Cc1cc(S(=O)(=O)Nc2nncs2)c(Cl)cc1Cl 2087072108 AEXSUCVVYLJPHI-UHFFFAOYSA-N 324.214 2.954 0 40 DFAB COc1ccc(C[C@@](C)(O)CNc2ncc(Cl)cn2)cc1 1775969196 AYXFDJJEFLWYKM-OAHLLOKOSA-N 307.781 2.544 0 40 DFAB COc1ccc([C@@H](O)CNC(=O)c2cc(C)cs2)cc1OC 211087002 QKPTUCZLKLWUOS-LBPRGKRZSA-N 321.398 2.537 0 40 DFAB C[C@H]1CCC/C(=C\c2ccc(C=O)cc2)[C@]1(O)Cn1cncn1 101273691 MEANSQQGJBBDKN-FIJXSUORSA-N 311.385 2.725 0 40 DFAB CCCN(C)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 50137532 QGLGUWTUMKJIMC-SNVBAGLBSA-N 306.341 2.988 0 40 DFAB CCc1nn2c(=O)cc(CN(C)C3CCCCCC3)nc2s1 40477565 MJSHQNDCOKYXAR-UHFFFAOYSA-N 320.462 2.868 0 40 DFAB O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1 100799793 AQOUFBQQWTWAOZ-UHFFFAOYSA-N 312.413 2.594 0 40 DFAB c1coc([C@H](CNc2ncnc3nc[nH]c23)N2CCCCC2)c1 40512382 QXOXLFWYBXKMPV-LBPRGKRZSA-N 312.377 2.585 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CCOC[C@H]1CCCO1 40530084 TYGGEJCZDCNPAH-GFCCVEGCSA-N 313.781 2.873 0 40 DFAB COc1ccccc1N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 100942272 ZPRVXYYLKORMFU-QWHCGFSZSA-N 304.390 2.893 0 40 DFAB CNC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 414989 CXTDJUHGZMFPFJ-UHFFFAOYSA-N 314.414 2.646 0 40 DFAB Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)c1 2644553 XKAJQNGVLDIWQI-INIZCTEOSA-N 314.385 2.659 0 40 DFAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)[nH]c2c1C(=O)CCC2 21292486 NLZDKOAYQJUJPI-UHFFFAOYSA-N 316.386 2.823 0 40 DFAB CN(C(=O)[C@H]1CCCO1)[C@@H](c1cccc(F)c1)c1ccccn1 69810781 RQULFMBGENKDRN-SJORKVTESA-N 314.360 2.948 0 40 DFAB CSc1ccc(-c2ccc(=O)n3c2[C@H]2CNC[C@H](C2)C3)cc1 4237496 OIRJPVJCJNKBBP-GXTWGEPZSA-N 312.438 2.944 0 40 DFAB biogenic,in-vitro O=C(CNC(=O)N1CCC[C@@H]1c1ccsc1)N1CCCCC1 46518344 KAYOJUJVKNTQCG-CQSZACIVSA-N 321.446 2.607 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccccc1Br 12021074 AYUZQSCDYHALLT-NSHDSACASA-N 312.163 2.528 0 40 DFAB O=C(C[C@H]1Sc2ccccc2NC1=O)OC[C@@H]1CCCCO1 8345943 LNLGMHOZWYQYLE-SMDDNHRTSA-N 321.398 2.602 0 40 DFAB O=C1CCc2cc(-c3csc(N4CCOCC4)n3)ccc2N1 8394078 XMPKVXGDHITOGB-UHFFFAOYSA-N 315.398 2.531 0 40 DFAB COc1ccc([C@H](CNC[C@@H](O)c2ccccc2)N(C)C)cc1 22029461 LFUAQHYZPOUABM-RBUKOAKNSA-N 314.429 2.621 0 40 DFAB CCCOC(=O)c1nnc2sc(-c3cccc(F)c3)nn12 57332625 QPBFFCRRXPUBKO-UHFFFAOYSA-N 306.322 2.559 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cn2)c2ccc(F)cc2N1 42065279 ZEWMWWGTEFWWBJ-NSHDSACASA-N 319.723 2.939 0 40 DFAB COc1ccc([C@H](CNC(=O)C2CCC2)N2CCCC2)cc1 22505289 NSRYYRRGBQKUHJ-KRWDZBQOSA-N 302.418 2.748 0 40 DFAB CCN(CC(C)(C)O)C(=O)C1CCN(Cc2ccccc2)CC1 81970581 JLLFQNIHHAEOAV-UHFFFAOYSA-N 318.461 2.518 0 40 DFAB CN(C(=O)c1cnn(C)c1)[C@H](c1cccc(F)c1)c1ccccn1 69900932 YMNRTSPHEHOXAU-QGZVFWFLSA-N 324.359 2.816 0 40 DFAB COc1ccccc1CNC[C@@H]1CCN(CC(F)(F)F)C1 37648382 GGVLAWVSQYLWFO-LBPRGKRZSA-N 302.340 2.669 0 40 DFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 23958944 JQBNEZYNWHHQAL-UHFFFAOYSA-N 310.400 2.578 0 40 DFAB O=S(=O)(NCC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 24433342 FELFRDQGWMLIDL-NSHDSACASA-N 323.336 2.553 0 40 DFAB COc1ccc(-c2nc3nc(SC)nn3cc2C)cc1F 1384387 COAHTFZYHFPDNP-UHFFFAOYSA-N 304.350 2.969 0 40 DFAB CCN1CCC(CCNC(=O)[C@]2(C)CC2(Cl)Cl)CC1 76041767 ZISCNEJWZFLVQC-ZDUSSCGKSA-N 307.265 2.809 0 40 DFAB CC(C)Oc1ccc(/C=C/C(=O)NC2CCN(C)CC2)cc1 1459663 HJJQYPAIBRJPDD-RMKNXTFCSA-N 302.418 2.697 0 40 DFAB COc1ccc(OC)c(NC(=O)COC(=O)c2cccs2)c1 3218256 DSLQRUNPEWNDLK-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB C[C@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCCCC1 57220949 PYJAQLBFDLCSSG-LBPRGKRZSA-N 320.458 2.758 0 40 DFAB CCOCCO[C@H](C)C(=O)N[C@H](C)Cc1cccc(Cl)c1 57489325 LLBALLFEGKDIEK-CHWSQXEVSA-N 313.825 2.829 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 108322143 XSPFPILNXOTKOY-AWEZNQCLSA-N 316.405 2.688 0 40 DFAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2cccs2)cc1 57471794 DDXRZYPEBFQJGE-LLVKDONJSA-N 319.382 2.791 0 40 DFAB Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccs2)c(=O)[nH]1 57835252 ZLUOGVQWRVXUEX-NSHDSACASA-N 319.430 2.600 0 40 DFAB O=C(C[S@@](=O)Cc1ccccc1)N1CCc2sccc2C1 58131467 OMEOPWVXMIHJMT-OAQYLSRUSA-N 319.451 2.582 0 40 DFAB Cc1ccc(Cn2nccc2NC(=O)NC[C@@H]2CCCO2)s1 58173934 KAVYDJNCCKINEY-LBPRGKRZSA-N 320.418 2.602 0 40 DFAB O=c1cc(-c2ccccc2)nc(Nc2ccc3c(c2)OCCO3)[nH]1 36077493 ZWHCKCRRYRTHHI-UHFFFAOYSA-N 321.336 2.952 0 40 DFAB C[C@@H](CNC(=O)c1ccccc1Br)N1CCCC1 36076980 UBLMYUDAYNJFLD-NSHDSACASA-N 311.223 2.663 0 40 DFAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)on1 44977678 VXUKNGRWJFKLRS-HNNXBMFYSA-N 324.384 2.636 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 44970326 ZIPMGHPRIIXYCH-LBPRGKRZSA-N 316.357 2.781 0 40 DFAB O=C(NCC1CCCC1)N(Cc1ccncc1)C[C@H]1CCCO1 58313099 YJKKGSKMIDPJNH-QGZVFWFLSA-N 317.433 2.962 0 40 DFAB CCN(Cc1ccc(C(=O)Nc2ccn(C)n2)cc1)C(C)C 58380721 LXAXIZZBGYPTDU-UHFFFAOYSA-N 300.406 2.903 0 40 DFAB COc1ccc(COC[C@@H](O)CN(C)c2ccc(F)cc2)cc1 58357232 UJVNIOBCIFKAGB-KRWDZBQOSA-N 319.376 2.848 0 40 DFAB CC(C)CNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 36360960 CGYISRPWWAIDMG-UHFFFAOYSA-N 300.406 2.887 0 40 DFAB C[C@H](NC[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 38082769 KRJYPPUWSZUZQI-UYYLIRDPSA-N 311.491 2.616 0 40 DFAB CCOC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 48571298 KDYNRDBLDBILSS-JTQLQIEISA-N 313.195 2.624 0 40 DFAB COc1cccc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 69450775 KYQIVICIXOUFAE-UHFFFAOYSA-N 315.369 2.587 0 40 DFAB Cc1ccnc(NC[C@H]2CCN(Cc3nnsc3Cl)C2)c1 65446826 JKQYMQYXSHSLIT-LLVKDONJSA-N 323.853 2.829 0 40 DFAB CCOCCCC(=O)Nc1ccc(CC(=O)NC(C)(C)C)cc1 49677534 JHUISONNNYPPJJ-UHFFFAOYSA-N 320.433 2.899 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1CCCCN1Cc1ccncc1 69588678 GBEWHUZOMHNCRL-SFHVURJKSA-N 309.413 2.753 0 40 DFAB CC(C)c1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 8704748 UCWLBJCLGUBPPA-UHFFFAOYSA-N 305.359 2.685 0 40 DFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccccc3F)CC2)c1 26909988 IYDUOKKAIDSDKG-LJQANCHMSA-N 314.404 2.990 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C[C@H](O)c2ccc(F)cc2)c1 72253313 PLNICMFKRKWNMV-MSOLQXFVSA-N 317.408 2.919 0 40 DFAB O=C(c1cccn(Cc2ccccc2)c1=O)N1CCCCCC1 65610721 JYGMIABCDRRYQL-UHFFFAOYSA-N 310.397 2.913 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2ccc3ccccc3n2)n1 6558207 XJRXIOUICSRTSY-UHFFFAOYSA-N 308.385 2.868 0 40 DFAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)O)c1ccccc1 26423481 FAFPBHAFATYIHD-JTQLQIEISA-N 302.355 2.900 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]1CCCO1 6771082 UFUIPBSLLLGGKC-HNNXBMFYSA-N 317.364 2.537 0 40 DFAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 4807242 YSKMRHDKJFUJFW-ATGJPIOOSA-N 316.357 2.648 0 40 DFAB O=C(/C=C/c1nc2ccccc2s1)NC[C@H]1CCCC[C@H]1O 72293741 ARXXBXSQVZTTFT-SNYUGRAUSA-N 316.426 2.977 0 40 DFAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(N)=O 4937653 MMIQOLIURVITGX-SFYZADRCSA-N 323.443 2.889 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2cccs2)c1 4928450 IINLJPIHJIOKPF-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB CC(C)C[C@H]1NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O 8938668 CDTAPWXMMFVAIP-LLVKDONJSA-N 324.764 2.535 0 40 DFAB C[C@H]1CCCCN1CC(=O)NCCOc1ccc(Cl)cc1 7525271 PTTKRRWFBKZENY-ZDUSSCGKSA-N 310.825 2.709 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1n[nH]c2c1CCCCC2 96231395 WCILKLUDPZRRRN-UHFFFAOYSA-N 302.403 2.876 0 40 DFAB CCNC(=O)N1CC[C@@H](NC2CC(c3cccc(C)c3)C2)C1 97108556 GFISNYQRJWNFRJ-AQFXKWCLSA-N 301.434 2.634 0 40 DFAB CCSCC[C@@H](C)NC(=O)c1cccc(-n2cccn2)n1 96433092 ONBQUJVELASHGR-GFCCVEGCSA-N 304.419 2.529 0 40 DFAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2Cn2cccn2)s1 71865177 LWUWFXKKSHFKFU-ZDUSSCGKSA-N 304.419 2.651 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc(C2CC2)no1 71876699 KPCHTUZXTAUTMT-ZDUSSCGKSA-N 301.394 2.634 0 40 DFAB COc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 71805013 DAKFGCFUSJAMKR-TZMCWYRMSA-N 319.401 2.730 0 40 DFAB CN(Cc1cscn1)C(=O)c1c[nH]nc1-c1ccccc1F 87191319 OETWNRBJHPEONK-UHFFFAOYSA-N 316.361 2.945 0 40 DFAB CCNC(=O)COc1ccc(/C=C2/C(=O)Oc3ccccc32)cc1 78726000 RLGAAAGDDZKDMM-LFIBNONCSA-N 323.348 2.661 0 40 DFAB Cc1ccc(/C=C/CC(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 84754111 RIULGLNKQHJNPH-KRZKXXONSA-N 322.408 2.611 0 40 DFAB CC(C)n1cc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 95416965 YLLFWIGMYJLLFQ-OAHLLOKOSA-N 315.377 2.544 0 40 DFAB COc1ccc(C)nc1NC(=O)c1ccc(Cn2cccn2)cc1 95405859 PTMQRJIQAOXBFI-UHFFFAOYSA-N 322.368 2.896 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)NCc2ccon2)C12CCCCC2 79032983 ZCTKAOSXXUAXCF-KBPBESRZSA-N 307.394 2.602 0 40 DFAB C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1F 79389864 VTXXMLJYMKYNGH-CMPLNLGQSA-N 323.339 2.828 0 40 DFAB CON(C)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 95961244 HQNJWLWVORPCPC-UHFFFAOYSA-N 313.785 2.893 0 40 DFAB COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1cnn(C(C)(C)C)c1 95983038 LPJCRZGUIUUPJP-OLZOCXBDSA-N 308.378 2.527 0 40 DFAB COc1ccc(CN2CCN(c3cccc(C)n3)CC2)cc1F 95968530 MGRMZOSHKNROOM-UHFFFAOYSA-N 315.392 2.860 0 40 DFAB CC(C)(C)[C@H]1CCN(CC(=O)NC2CCCCCCC2)C[C@@H]1O 95995994 CSIUTHHNPWTILT-IRXDYDNUSA-N 324.509 2.944 0 40 DFAB O=C1OCCN1CCCN[C@H]1CC2(CCC2)Oc2ccccc21 95967659 YPNKFYPQBFMWEE-HNNXBMFYSA-N 316.401 2.865 0 40 DFAB O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCOc2ccncc21 75105469 WWDWNASWVUFPPE-GHMZBOCLSA-N 316.307 2.889 0 40 DFAB CCCN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O 409236905 HYSFWRMJMGAQET-DHZHZOJOSA-N 309.163 2.752 0 40 DFAB Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c1C 521394376 PCOJKGOCLZYVTI-WBVHZDCISA-N 313.401 2.687 0 40 DFAB CCOC(=O)C1=NN(c2ccc(C)c(Cl)c2)[C@@](C)(C(=O)O)C1 71979587 YYZCOOQICDDBSJ-OAHLLOKOSA-N 324.764 2.621 0 40 DFAB COCCn1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cn1 42808702 QFQIFOVVTFAPHJ-SNVBAGLBSA-N 324.331 2.690 0 40 DFAB Cc1nc(Nc2nncs2)cc([C@@H]2CCN(C(C)C)C2)n1 72382651 DIAJSSXMSCPFEY-LLVKDONJSA-N 304.423 2.578 0 40 DFAB CCCc1noc([C@@H]2CCCCN2C(=O)c2snnc2C)n1 46087508 JLWMDPKPVQBFJY-JTQLQIEISA-N 321.406 2.549 0 40 DFAB Cn1c(=O)sc2cc(NC(=O)Cc3cccs3)ccc21 225071067 LSMGGNKWUKWQJS-UHFFFAOYSA-N 304.396 2.843 0 40 DFAB CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)C 195571660 IAOAVFLOQKHKMI-FZMZJTMJSA-N 300.349 2.732 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1c1ccncc1Cl 195574075 GMTJXOQPFOCTCR-AWEZNQCLSA-N 305.765 2.613 0 40 DFAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C)s1 225392472 BKAKHTNQNOJXLE-SECBINFHSA-N 309.416 2.974 0 40 DFAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225824901 WGIISQHGSTUNDT-GFCCVEGCSA-N 317.389 2.983 0 40 DFAB CCS(=O)(=O)Nc1ccc(C(=O)NCC2CCCCC2)cc1 224111654 NFDPUVLHMPGJFP-UHFFFAOYSA-N 324.446 2.758 0 40 DFAB CC(C)N(CC(=O)O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 83318395 RPDWJAAJTBDKPB-QWHCGFSZSA-N 314.426 2.617 0 40 DFAB Cn1cc(C(=O)N2CC(OCc3cccc4ccccc34)C2)cn1 81802027 RIMZBKBAMOTSRT-UHFFFAOYSA-N 321.380 2.615 0 40 DFAB CC(C)N(C)C(=O)NCc1ccn(-c2c(F)cccc2F)n1 95441686 VTNCWWNALAJOQG-UHFFFAOYSA-N 308.332 2.700 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)COC2CCCC2)o1 96412282 MCNKRXPQAMJGNE-HNNXBMFYSA-N 307.390 2.701 0 40 DFAB CC[C@H](C)n1nccc1NC(=O)Cn1cc(-c2ccccc2)nn1 96474951 STYPEWWPGYURSC-ZDUSSCGKSA-N 324.388 2.751 0 40 DFAB C[C@@H](CNS(=O)(=O)c1cccs1)c1nc2ccccc2o1 96446683 QHOFBSCTPZLWGX-JTQLQIEISA-N 322.411 2.971 0 40 DFAB Cc1ccc2n1CCN(C(=O)c1cc(-n3cccn3)ccn1)[C@@H]2C 96454935 HNZWFFYQBWRWHI-CQSZACIVSA-N 321.384 2.594 0 40 DFAB CC[C@H](CNC(=O)c1cnn(C)c1)Oc1ccccc1Cl 96451822 CWBIITOBYFWWJP-GFCCVEGCSA-N 307.781 2.661 0 40 DFAB O=C1CCCCCCN1CC(=O)N(CC(F)(F)F)C1CCC1 96454906 XWOPAIUCPBRYMF-UHFFFAOYSA-N 320.355 2.723 0 40 DFAB O=C1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)N1 97371003 YTFCWCIWSASAPA-KIMFYNOWSA-N 318.442 2.811 0 40 DFAB CCc1nncn1CCNC(=O)Nc1cccc(CSC)c1 96434827 YHZBVSBXUFCTTN-UHFFFAOYSA-N 319.434 2.525 0 40 DFAB Cc1ccnc(N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)n1 245229758 FFLUUGKYLSZBHD-BPUTZDHNSA-N 316.449 2.696 0 40 DFAB Nc1nc2nc([C@@H]3CCCCN3c3ncccn3)ccc2s1 257287320 PPLOEOBBHLDVMT-NSHDSACASA-N 312.402 2.795 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 257333172 YAMZAQTYBTWVAE-INIZCTEOSA-N 314.389 2.686 0 40 DFAB CC(C)(C)[C@H]1CN(Cc2cc(F)cc3c2OCOC3)CCO1 279765083 MQEGXBCEHGWWTI-OAHLLOKOSA-N 309.381 2.939 0 40 DFAB CO[C@H]1CCN(C(=O)c2cnco2)C[C@H]1Cc1ccccc1F 585275186 ZJTOZXLBQYCLLG-HIFRSBDPSA-N 318.348 2.534 0 40 DFAB CC[C@@H](C)N1C[C@@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O 585099337 GJDAGIVCRQVCFU-PXAZEXFGSA-N 321.490 2.983 0 40 DFAB Cc1noc([C@H](C)N2CCN([C@H](C)c3ccccc3F)CC2)n1 69348168 IUZUNSXDKHYOQG-OLZOCXBDSA-N 318.396 2.957 0 40 DFAB C[C@H](NC(=O)Cn1ncnc1-c1ccccc1Cl)C1CC1 69595437 VEJWOMSWXXUBEB-JTQLQIEISA-N 304.781 2.513 0 40 DFAB COC[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccco1 80790629 AEPFWESEKLCEAY-QMMMGPOBSA-N 321.807 2.661 0 40 DFAB Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1Br 376124 SDCXDURISJTESF-UHFFFAOYSA-N 320.190 2.694 0 40 DFAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)c1ccc(F)cc1 11363919 YKBLQORHRVRKQF-UHFFFAOYSA-N 318.373 2.763 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](O)[C@@H](C)C3)[nH]c12 12146559 LMUPROAQYGBVAM-JSGCOSHPSA-N 300.402 2.936 0 40 DFAB COc1c(F)c(F)c(C(=O)Nc2cccnc2)c(F)c1F 14257982 FRHUNNNYMSLTGC-UHFFFAOYSA-N 300.211 2.899 0 40 DFAB O=C(NC1CC1)C1CCN(c2nc3ccccc3s2)CC1 15936152 SZLQXUZOEAIDEE-UHFFFAOYSA-N 301.415 2.791 0 40 DFAB O=[N+]([O-])c1ccc(NNC(=S)NCc2ccccc2)cc1 19926652 QWMDFEPFGKTFRY-UHFFFAOYSA-N 302.359 2.586 0 40 DFAB C[C@@H](CN1CCN(Cc2ccccc2)CC1)Nc1ccccn1 22466561 WENQHCCGSKCGGB-KRWDZBQOSA-N 310.445 2.700 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(F)c1 3404999 OHROALORVWLINI-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccoc2C)c1C 7847894 KTFIKGPORAEAMO-UHFFFAOYSA-N 303.314 2.775 0 40 DFAB CSc1ccccc1NC(=O)c1cc2c(nn1)CCOC2 1889114117 MWVXOZSWCAPWDY-UHFFFAOYSA-N 301.371 2.524 0 40 DFAB CN(Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2 27930885 ZRXAMJIXDPCFJC-UHFFFAOYSA-N 301.438 2.656 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 35175009 IYIOWNZUJBBCSK-UHFFFAOYSA-N 313.756 2.894 0 40 DFAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCCCC1 4374023 CEFNFTNERAHBKW-CQSZACIVSA-N 319.380 2.517 0 40 DFAB CC[C@@H]1c2ccccc2CCN1C(=O)Cn1nnc2ccccc21 74643438 JGZVERBGLNUDMG-QGZVFWFLSA-N 320.396 2.967 0 40 DFAB CCOC(=O)/C(=C\c1ccco1)c1nc(-c2cccnc2)n[nH]1 40287854 OQCZVAQXFFUWBB-LCYFTJDESA-N 310.313 2.563 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc2ccccn12 31740327 HDSAOCFTKXQFPW-UHFFFAOYSA-N 305.341 2.782 0 40 DFAB O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)[C@H]1CCOC1 60350982 BQQXXZQYHQSZSX-GOEBONIOSA-N 311.385 2.784 0 40 DFAB C[C@@H](Sc1nnnn1C1CC1)C(=O)c1ccc2c(c1)CCC2 8326675 ZBOGIIFWDQJWBY-SNVBAGLBSA-N 314.414 2.860 0 40 DFAB O=C(O)CCCCNC(=O)c1cc(F)ccc1Br 70197790 MGLLQMHXKKFSDR-UHFFFAOYSA-N 318.142 2.573 0 40 DFAB COCc1nc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 84111359 SKQBFQRFBUYDQX-GFCCVEGCSA-N 306.435 2.701 0 40 DFAB Cc1ccc(CNC(=O)NCCCN2CCC(C)CC2)cc1 32862448 OVKMECOJFSHGBQ-UHFFFAOYSA-N 303.450 2.916 0 40 DFAB CC(=O)Nc1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 4280279 TZFGXOGXSRKYOI-CPUCHLNUSA-N 320.433 2.648 0 40 DFAB COc1ccc(COC(=O)c2cccc(OC)c2O)cc1F 32910998 IRXBVSQRMQLDOP-UHFFFAOYSA-N 306.289 2.906 0 40 DFAB CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1 480153 TVYZELNGUHDIRQ-UHFFFAOYSA-N 304.394 2.664 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 2709897 QFMSXAVEZBGKDT-LJQANCHMSA-N 323.348 3.000 0 40 DFAB COc1ccc(NC(=O)CN2Cc3ccccc3C2)c(OC)c1 8115265 SCUMJEOYOFRPMM-UHFFFAOYSA-N 312.369 2.658 0 40 DFAB CCOc1ccc(CNn2c(CC)n[nH]c2=S)cc1OC 8339115 NFZPVSAHTVBJER-UHFFFAOYSA-N 308.407 2.654 0 40 DFAB S=c1oc(-c2ccccc2Cl)nn1CN1CCOCC1 21964377 OEONLYBSOHSITQ-UHFFFAOYSA-N 311.794 2.816 0 40 DFAB Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1 500505 UQTAMSLFVPUNCR-UHFFFAOYSA-N 315.764 2.562 0 40 DFAB CN(C)[C@@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccsc1 76084019 XRQRZAQLKBTFBR-LZWOXQAQSA-N 319.474 2.958 0 40 DFAB CCc1c(C)sc2ncn3nc(Cn4nccc4C)nc3c12 2808825 ADLXIBBYECRNSY-UHFFFAOYSA-N 312.402 2.763 0 40 DFAB O=C(C[C@@H]1CCOC1)Nc1ccnn1-c1ccc(Cl)cc1 76067924 BVPHXJWSRFJKOK-NSHDSACASA-N 305.765 2.891 0 40 DFAB COc1ccc([C@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 22414238 VSKGBOQXHUUFAE-DVQDXYAYSA-N 314.385 2.721 0 40 DFAB Cc1cnn(CCC(=O)Nc2cc(C)c(Br)cn2)c1 84114872 FLYOFMSSYYKNQL-UHFFFAOYSA-N 323.194 2.686 0 40 DFAB NC(=O)c1ccc(CNC[C@H](c2ccccc2)N2CCCC2)cc1 53780650 FVUSLNFXIAGMHI-LJQANCHMSA-N 323.440 2.712 0 40 DFAB Cc1noc([C@@H]2CCCN([C@@H](C)c3nc(C(C)C)no3)C2)n1 54676353 YHBIWPGYZIMJGU-CMPLNLGQSA-N 305.382 2.825 0 40 DFAB O=C(NCCc1cccc(F)c1)c1ccc(-n2ccnc2)cc1 24050484 FZHAZJVNIFPCFT-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB Cc1ncc(C(=O)OCCCn2c(C)nc3ccccc32)c(C)n1 97038973 HDVPTBLSYOXEGE-UHFFFAOYSA-N 324.384 2.999 0 40 DFAB Cc1c([C@@H](C)NC(=O)c2csc(-c3ccco3)n2)cnn1C 25004135 KYHUWTFAYNWMNS-SECBINFHSA-N 316.386 2.936 0 40 DFAB COC(=O)c1cc(C)nn1-c1nc(-c2cccc(O)c2)cs1 1405114 DSLWAUHBIWVXDR-UHFFFAOYSA-N 315.354 2.796 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)C=C(C3CC3)C3CC3)C2)n1 56131574 HSVTXCHXJWNAJV-AWEZNQCLSA-N 301.390 2.830 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 43926413 AMTBOYCPONTMDS-NEPJUHHUSA-N 310.419 2.790 0 40 DFAB COC(=O)CN(Cc1ccc(Cl)c(C)c1)C1CCOCC1 97057397 MKVZVSWAXVTOQY-UHFFFAOYSA-N 311.809 2.802 0 40 DFAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 3336958 MYVUCWFGZIKLDI-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB CC(=O)Nc1cc(NC(=O)c2ccc(O)cc2F)ccc1F 97046528 UQIDZDWPHXVSSK-UHFFFAOYSA-N 306.268 2.881 0 40 DFAB COCCC1(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)CCC1 108356450 JHUCUFOFVUTFBY-YESZJQIVSA-N 320.477 2.526 0 40 DFAB CCN(C(=O)[C@H](NC(C)=O)C(C)C)c1nc2ccccc2s1 26907178 QWANHJVGSXMATP-CQSZACIVSA-N 319.430 2.810 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)n1 72273836 SFSRESLGBLIWIQ-CYBMUJFWSA-N 317.414 2.518 0 40 DFAB O=C(OCc1ccc(OC(F)F)cc1)c1cnn2cccnc12 58172091 HXSHRMCSIHOZEU-UHFFFAOYSA-N 319.267 2.688 0 40 DFAB COc1cc(CCC(=O)Nc2c(C)noc2C)cc(OC)c1 58226235 CCKJZEMOXLBKHF-UHFFFAOYSA-N 304.346 2.880 0 40 DFAB CCN(c1ccc(C(=O)NCCn2ccnc2)cc1)C(C)C 58250050 UIFQNDQOYDXDBX-UHFFFAOYSA-N 300.406 2.548 0 40 DFAB C[C@@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)NC(C)(C)C 58281820 FZOKENKVGKFAGW-MRVPVSSYSA-N 323.393 2.870 0 40 DFAB O=C(NC[C@@H](NC(=O)c1ccccc1)C1CC1)c1ccccc1 58246589 AUIQOJUGHREKNE-QGZVFWFLSA-N 308.381 2.625 0 40 DFAB C[C@H](Nc1ncc(S(N)(=O)=O)s1)c1cc2ccccc2o1 58428368 UEOSJBKTQHCLOK-QMMMGPOBSA-N 323.399 2.710 0 40 DFAB CCOc1c(Cl)cccc1NC(=O)N[C@H](C)C[S@](C)=O 97107364 YSRNYHASUOSDIE-GSDQLPOLSA-N 318.826 2.627 0 40 DFAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1c(F)cccc1F 11469198 IHMLUFIVELAVMS-UHFFFAOYSA-N 310.329 2.691 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)nc1 3470718 BSBWLQCGKLPQEC-CMPLNLGQSA-N 310.781 2.587 0 40 DFAB CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 69537923 BCEDUPGTEWWWKP-MRXNPFEDSA-N 302.418 2.527 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)N1CCC(CN2CCCC2)CC1 49073773 ODYFHMSBPBMVFS-INIZCTEOSA-N 316.445 2.788 0 40 DFAB COC(=O)c1cccc(C(=O)OCc2ccc(Cl)s2)n1 49055299 NQTXSAQKENYOGE-UHFFFAOYSA-N 311.746 2.940 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 69922548 CDSUDXPEKIGBIP-HUUCEWRRSA-N 305.422 2.568 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2c(C)noc2C)n1 69621429 VOKLCYSWPPMGGP-OAHLLOKOSA-N 303.410 2.554 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)CO2 92282581 ALPHVULVUZBNIF-CQSZACIVSA-N 313.401 2.890 0 40 DFAB C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nc[nH]n1 69773323 SRQMXVFQRCCVLX-LLVKDONJSA-N 323.356 2.601 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1C 6337350 BPXOCOIYITWVIX-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB Cc1cnc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cn1 14083295 KZEXFOXRRNTOMD-UHFFFAOYSA-N 324.384 2.710 0 40 DFAB Cc1cccc(C)c1OC1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 65554639 IZCAEBBGIVRNRM-GDBMZVCRSA-N 303.402 2.851 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1[nH]c2ccc(OC)cc2c1C 5347835 LZYOCZCKKFPDJP-ZDUSSCGKSA-N 315.417 2.699 0 40 DFAB CN(C(=O)c1ccc(Br)cc1Cl)[C@@H]1CCNC1 71310002 KNFGJNRSNUXUHQ-SECBINFHSA-N 317.614 2.536 0 40 DFAB O=C(N1N=CC[C@@]1(O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 5494787 NYVSUEBHDSSJCD-ANUKEEOOSA-N 316.323 2.672 0 40 DFAB CCN(CC)C(=O)/C(=C\c1ccc(F)cc1)n1ccccc1=O 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COc1cccc(CNCC(=O)N2CCCc3ccccc32)c1 89470072 DAYVGSUOKDKKSK-UHFFFAOYSA-N 310.397 2.764 0 40 DFAB O=C(N[C@H]1CCc2c(F)cccc21)N1CCOC[C@H]1C1CC1 89891969 QIMYSYHECRRAFT-HOTGVXAUSA-N 304.365 2.633 0 40 DFAB COc1cc2c(cc1CNCc1cccnc1OC)O[C@@H](C)C2 30901341 BMZPYKTZLSJLDV-LBPRGKRZSA-N 314.385 2.712 0 40 DFAB CO[C@@H](C(=O)N1CCSc2ccncc21)c1ccccc1 184709093 GXBAIORCCSNKFR-OAHLLOKOSA-N 300.383 2.908 0 40 DFAB CNC(=O)CSCc1c(C)nn(-c2ccccc2)c1Cl 78555830 MOMJRTIKYRVWKM-UHFFFAOYSA-N 309.822 2.813 0 40 DFAB CC(C)c1noc(Cc2c(-c3ccccc3)n[nH]c2C(=O)O)n1 72220425 OTGWCFBROOXXNL-UHFFFAOYSA-N 312.329 2.872 0 40 DFAB Cc1ccc2c(CC(=O)Nc3c[nH]nc3[C@@H]3CCNC3)coc2c1 1553843500 YHFFSVQSEYOAFV-GFCCVEGCSA-N 324.384 2.722 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1F 30332690 QLHUBVGOZVYCCH-UHFFFAOYSA-N 315.391 2.717 0 40 DFAB CC(=O)N1CCC[C@H](Cc2ccc(Cc3ccccc3)nn2)C1 72360597 VODOJVBZCDJLFU-QGZVFWFLSA-N 309.413 2.868 0 40 DFAB CC(C)n1c2ccccc2n2c(S[C@H](C)C(=O)O)nnc12 33373731 FLIDDMOEGCKRAB-SECBINFHSA-N 304.375 2.830 0 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311.403 2.776 0 40 DFAB COc1ccccc1CCCNC(=O)c1cc(C2CC2)nn1C 13995859 SFMNTPVHURRIRV-UHFFFAOYSA-N 313.401 2.669 0 40 DFAB O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccs1 14227465 YKCKKZJURMSOIZ-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]c(=O)c1C 19555366 XLZNZQOVJXSSBB-OAHLLOKOSA-N 315.392 2.905 0 40 DFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2)cc1 19558147 WBUMITSKYQMOTM-DOMZBBRYSA-N 306.369 2.754 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@@H](c2cccn2C)N(C)C)c(C)c1 11846576 CSHLYPPQOSGARL-KRWDZBQOSA-N 313.445 2.983 0 40 DFAB O=C(c1ccoc1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 245026726 NIKFICAKPPYVOB-HUUCEWRRSA-N 309.325 2.686 0 40 DFAB C[C@H](O)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1226541200 ODVZREFVNZVPHM-NSHDSACASA-N 310.305 2.746 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@]1(C)CC=CCC1)C2 1142541250 ALYXYODILTVUPK-KBAYOESNSA-N 307.434 2.777 0 40 DFAB CCN1CC[C@@]2(CCCN(C(=O)c3ccccc3)CC2)C1=O 1565542030 DIQKKFZRDPNTTJ-GOSISDBHSA-N 300.402 2.551 0 40 DFAB CCCS(=O)(=O)Nc1cccc(-c2ccc(OCC)nn2)c1 5204264 SNKDVNBPZDQXFR-UHFFFAOYSA-N 321.402 2.694 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)c2nc3ccccc3s2)o1 49026786 BJXQJYGQBARLKI-NSHDSACASA-N 302.355 2.661 0 40 DFAB CC(C)(C)c1csc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)n1 40073593 SAQJZJGLHVYYQL-LLVKDONJSA-N 321.446 2.638 0 40 DFAB CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 50062986 ZFMIBOOEKMQFBF-GFCCVEGCSA-N 316.405 2.531 0 40 DFAB Cc1csc(NC(=O)C2CCN(CC(F)(F)F)CC2)n1 40536378 LSDAWMWZGVPJGX-UHFFFAOYSA-N 307.341 2.664 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 49265 YGXYDYAYCQSPGI-HMEQZMJYSA-N 303.745 2.563 0 40 DFAB CCNC(=O)[C@@H](C)NC(=O)c1cc2c(s1)CCCCCC2 8348853 ZYSJTTKVUDCMTJ-LLVKDONJSA-N 308.447 2.662 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@H]3c3ccncc3)cc12 29993165 PEAQKCGWMXLRAF-INIZCTEOSA-N 321.384 2.649 0 40 DFAB O=C(NC1CCCC1)c1cc2c(=O)n3ccccc3nc2s1 2722834 NURSLTMIXGKADE-UHFFFAOYSA-N 313.382 2.582 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccnc1S 32882760 YUIMCOBRIGJKST-UHFFFAOYSA-N 312.398 2.609 0 40 DFAB COc1cccc(CN(C)C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1OC 102439754 JWYZHYMSUQOFDQ-KCQAQPDRSA-N 301.386 2.874 0 40 DFAB Cn1c(C(=O)N2CCN(C3CCCC3)CC2)cc2sccc21 4971194 DQPMUZOVIXOMOL-UHFFFAOYSA-N 317.458 2.940 0 40 DFAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1O 6678557 PVMNZKMOLJMQQQ-AMIZOPFISA-N 319.386 2.596 0 40 DFAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 6962004 JNEWPTZUJBUSJY-OVCLIPMQSA-N 313.332 2.756 0 40 DFAB CN(Cc1cccs1)C(=O)Cn1ccc(=O)c2sccc21 76065349 NRUXXXNFUDXBHD-UHFFFAOYSA-N 318.423 2.783 0 40 DFAB CC(C)OCCCNC(=O)c1ccc(CN2CCCC2)cc1 10434043 VAGPLQYVFWMNMG-UHFFFAOYSA-N 304.434 2.827 0 40 DFAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cn2ccccc2=O)o1 76068538 ZVLHUZMPNSRSAR-UKRRQHHQSA-N 314.385 2.750 0 40 DFAB COCc1csc(NC(=O)N(C)[C@H](C)c2cccnc2)n1 76082110 XWUOWULGMWEUQQ-SNVBAGLBSA-N 306.391 2.909 0 40 DFAB c1ccc(CNc2ncnc3c2cnn3-c2ccccn2)cc1 41529162 LZDMDSOWEGZMEO-UHFFFAOYSA-N 302.341 2.823 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)sc2ccc(F)cc12 53010992 IKRKVWCXMMBWLP-GFCCVEGCSA-N 320.389 2.747 0 40 DFAB CCn1c(=O)n(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc21 22194360 HODVBDXNGRIFNW-ZIAGYGMSSA-N 315.417 2.612 0 40 DFAB Cc1csc(CNC(=O)c2cncc(Br)c2)n1 22282258 KLYBOPPEXULCDM-UHFFFAOYSA-N 312.192 2.539 0 40 DFAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1C 22699927 RGXIJPGYCRQTQA-INIZCTEOSA-N 311.385 2.522 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 871174 QKWKPGHURXWHOH-HNNXBMFYSA-N 318.373 2.665 0 40 DFAB CCOc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1 54060046 ZTIJVBOJRZCRKT-UHFFFAOYSA-N 305.765 2.845 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)C2)n1 106116550 HXPLRLKHUUEFDX-XQLPTFJDSA-N 303.406 2.910 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 100395475 CBUGEEDRWFOKJU-GBALJZQLSA-N 322.408 2.726 0 40 DFAB O=C1/C(=C\c2ccc(O)cc2)N=C(S)N1Cc1ccco1 103259607 RECTZYIPFZMWBE-MDWZMJQESA-N 300.339 2.654 0 40 DFAB COc1cc(OC)c(N[C@@H](C)C(=O)N2CCCC2)cc1Cl 3323762 QUKANIWDDDSLSA-JTQLQIEISA-N 312.797 2.780 0 40 DFAB COC(=O)[C@](O)(c1ccc(O)c(C(C)(C)C)c1)C(F)(F)F 2066520 RHYBIBURDLRRSL-CYBMUJFWSA-N 306.280 2.613 0 40 DFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(c2cc[nH]n2)CC1 58265884 OUTXPOYPFLQTIB-AWEZNQCLSA-N 324.428 2.567 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 48324426 RIGVXDOPYCODHG-UHFFFAOYSA-N 324.428 2.813 0 40 DFAB CCc1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1 48314725 KUWBSTLMTDPWBY-UHFFFAOYSA-N 311.385 2.801 0 40 DFAB COc1ccc2c(c1)OCC([C@H]1NC(=O)c3ccccc3N1C)=C2 11034646 PMJSBGIREDUGRI-SFHVURJKSA-N 322.364 2.677 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1F 12862460 JPDQSLZWJTTWRA-ZDUSSCGKSA-N 318.392 2.936 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(F)c(F)c2)n1 48405023 KOPRYYRCJVSXBH-JTQLQIEISA-N 307.344 2.844 0 40 DFAB O=C(Nc1ccc2[nH]ncc2c1)C1(c2ccccc2)CCNCC1 38458743 GWNHYBRTIZNPSV-UHFFFAOYSA-N 320.396 2.823 0 40 DFAB c1ccc(-c2cc(CN3CCS[C@H]4COCC[C@@H]43)n[nH]2)cc1 91856954 ROOZUKSEEJXFCB-IRXDYDNUSA-N 315.442 2.783 0 40 DFAB CCc1cccc(C)c1NC(=O)N1CCCN(C(=O)OC)CC1 69706407 FCZTWHQEJXXREN-UHFFFAOYSA-N 319.405 2.863 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccs1 4324998 JJMGZCKTKJAGCA-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1cccc2cccnc12 65478912 BZBMTSYOEGXXLJ-UHFFFAOYSA-N 309.417 2.633 0 40 DFAB Cc1nc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1 65406611 PCPJDVRIOLSPMT-MRXNPFEDSA-N 320.389 2.679 0 40 DFAB CCN(CC)C(=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 14095792 WANBBHUVPCXVCQ-UHFFFAOYSA-N 312.373 2.519 0 40 DFAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(C(C)(C)C)cc1 14229548 SZPPEYBSMGCGIO-JTQLQIEISA-N 319.434 2.627 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCCSc2ccccc21 8037467 LOANZDYYNIXWMR-UHFFFAOYSA-N 324.427 2.983 0 40 DFAB COc1cc(C(=O)NN2CCCCC2)ccc1OCC(C)C 8191820 GCMMYQRUCPOZKB-UHFFFAOYSA-N 306.406 2.861 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccccc2NCC2CCCCC2)CN1 97083336 GBNWEMRILABXNY-AWEZNQCLSA-N 315.417 2.753 0 40 DFAB COc1ccc([S@](=O)Cc2ccc(CO)cc2)cc1OC 96496684 AIIYBLRHDNUWHM-NRFANRHFSA-N 306.383 2.504 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2cccnc2)CC1 71824419 YXZPZQVXOPRJSD-OALUTQOASA-N 321.424 2.530 0 40 DFAB Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H](C)C(N)=O)c1 96500204 ICWMRMUTDNEJTO-NSHDSACASA-N 306.431 2.633 0 40 DFAB CN(Cc1ccccn1)C[C@@H](c1cccs1)N1CCOCC1 72267468 NVQQPXXPXCRSCX-INIZCTEOSA-N 317.458 2.648 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 72291755 AGZHNYHFKMLGHR-CYBMUJFWSA-N 315.348 2.592 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 97107750 MGGIODGZXFOUIB-LBPRGKRZSA-N 305.403 2.626 0 40 DFAB Cn1nncc1CNc1ncc(Cc2ccc(F)c(F)c2)s1 97114501 NMOWNPCFKUNADW-UHFFFAOYSA-N 321.356 2.753 0 40 DFAB CCC1(CNC(=O)Nc2ccccc2CN2CCNC2=O)CC1 97113920 FHKXHYKRPQAZCA-UHFFFAOYSA-N 316.405 2.524 0 40 DFAB O=C(CCCc1cccs1)N1CCC[C@H](c2nc[nH]n2)C1 72313779 NLQCRLGCEMXUNY-LBPRGKRZSA-N 304.419 2.595 0 40 DFAB C[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccccc1F 20251800 QMDVWYGASGFMIZ-SNVBAGLBSA-N 304.296 2.722 0 40 DFAB Cn1cc(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)cn1 84318640 VOSLHKLXYOLPIS-UHFFFAOYSA-N 320.352 2.664 0 40 DFAB O=C(NCCc1ccco1)c1ccc(-c2ccccc2)[nH]c1=O 72451240 VBFCXPAAWJQKHM-UHFFFAOYSA-N 308.337 2.607 0 40 DFAB COC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1 78985512 NOEXMIUORZFEDT-AWEZNQCLSA-N 309.387 2.562 0 40 DFAB CN1CCN(C[C@H](NC[C@H]2CC=CCC2)c2ccccc2)CC1 95433965 OGIZMDDIMBLSEN-ICSRJNTNSA-N 313.489 2.921 0 40 DFAB CN(C)C(=O)CCC[S@@](=O)Cc1ccc(F)cc1Cl 95413670 YXCPWJYCQICXNK-IBGZPJMESA-N 305.802 2.596 0 40 DFAB C[C@H](CCn1cncn1)NC(=O)C1(Cc2ccccc2)CCC1 95411261 CDKAXNGTOZRXBG-OAHLLOKOSA-N 312.417 2.586 0 40 DFAB c1coc(CN2CCC(c3nnc4ncc(C5CC5)cn34)CC2)c1 306144033 YTXYUMHKHPFJPO-UHFFFAOYSA-N 323.400 2.974 0 40 DFAB O=C(O)c1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634517 WLSYQHNVEBPXCR-UHFFFAOYSA-N 314.248 2.570 0 40 DFAB COC(=O)[C@](C)(NC(=O)c1cc2c(s1)CCCC2)C1CC1 95960434 PPUTVQXMBUROLT-MRXNPFEDSA-N 307.415 2.698 0 40 DFAB COc1c(CNCc2cc(Cl)cc3c2OCC3)c(C)nn1C 95939238 DYNYDEXTUIVRCN-UHFFFAOYSA-N 321.808 2.615 0 40 DFAB NC[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)c1ccccc1 95971690 JLQCYSJIBLJBLA-AWEZNQCLSA-N 316.351 2.592 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc21 95963109 QINMVIBSDLRPAD-IUODEOHRSA-N 321.442 2.566 0 40 DFAB Cc1cccc(C(=O)O[C@@H](C(=O)N2CCCC2)C(C)C)c1O 89688859 OBQHVGXMTFLNDZ-OAHLLOKOSA-N 305.374 2.504 0 40 DFAB Cc1cccc(-n2nc(C(N)=O)nc2-c2ccc(F)cc2)c1C 408694745 MFRRWSJUMJZEPG-UHFFFAOYSA-N 310.332 2.789 0 40 DFAB CN(C)C1(CNC(=O)NCc2ccc(F)cc2)CCCCC1 30988085 NAKLATMZLQUCHD-UHFFFAOYSA-N 307.413 2.889 0 40 DFAB CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 72376778 YBSRIATWSNNMCH-HNNXBMFYSA-N 314.364 2.938 0 40 DFAB CCCCOC(=O)c1ccc(Sc2nc(C)n[nH]2)c(N)c1 70462394 HANATGXYYRFOBK-UHFFFAOYSA-N 306.391 2.803 0 40 DFAB COc1cccc(NC(=O)Nc2cnc(N3CCCC3)nc2)c1 224261761 DXDGPDHFZJCEBK-UHFFFAOYSA-N 313.361 2.729 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)nn2)C1 40434741 STBYZIXCPVUJTQ-JTQLQIEISA-N 312.801 2.624 0 40 DFAB COCc1nc([C@H]2CCCCN2C(=O)c2cc(C)cs2)n[nH]1 569071742 XUPYUBOZGRYQEL-LLVKDONJSA-N 320.418 2.688 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@H](Oc2cccnn2)C1 225457625 SQFVGVQJQQHFIE-NSHDSACASA-N 304.375 2.613 0 40 DFAB CC[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1cnn(CC)c1 195544756 SCSVYCHVEIOLFQ-SJORKVTESA-N 313.401 2.784 0 40 DFAB C[C@H]1CCN(Cc2ccc(-c3ccccc3)o2)CCS1(=O)=O 192051138 KJSXUDBHOCAEIR-AWEZNQCLSA-N 319.426 2.956 0 40 DFAB COc1cccc2c(N3CCC[C@@H](NC(C)=O)C3)c(C)cnc12 195576696 BVKAWXWOGQZETA-CQSZACIVSA-N 313.401 2.657 0 40 DFAB CC(C)(C)OC(=O)N1CC(CC(=O)NCc2ccsc2)C1 96444520 RIEDRHBEYKGKAN-UHFFFAOYSA-N 310.419 2.621 0 40 DFAB C[C@@H](Cc1cccs1)C(=O)NCc1cccc(C(=O)O)c1 97228678 JCSKFBGJAYFXKH-NSHDSACASA-N 303.383 2.941 0 40 DFAB COC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 96096197 RRYGCZCGFBRFRM-UHFFFAOYSA-N 313.379 2.615 0 40 DFAB CC(C)(C(=O)NCCOc1cccnc1)c1cccc(F)c1 96412034 CNUSWECEBPVPQM-UHFFFAOYSA-N 302.349 2.694 0 40 DFAB Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C2CCC2)cs1 96041768 UIDQOGKWLPBBAA-ARFHVFGLSA-N 308.447 2.752 0 40 DFAB CCOC(=O)CCCCN1CCO[C@@H](c2cccc(F)c2)C1 96417415 YLUVJPDWCXLOHM-MRXNPFEDSA-N 309.381 2.932 0 40 DFAB c1ccc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)cc1 96219807 KLUPRBRGBOTZPT-KRWDZBQOSA-N 324.428 2.650 0 40 DFAB C[C@@H](CNC(C)(C)c1cccc(Cl)c1)CS(C)(=O)=O 96491939 KSRBIPYPWDFPHD-NSHDSACASA-N 303.855 2.845 0 40 DFAB C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 330156052 YQWMUPGUSBENQG-GFCCVEGCSA-N 322.430 2.810 0 40 DFAB Cc1ccc(CCN(Cc2ccco2)C(=O)c2cn[nH]n2)cc1 96427050 SDYDIEASNSKCGP-UHFFFAOYSA-N 310.357 2.591 0 40 DFAB Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)N1CCCC1 96441993 UEAOYYBEOZAJNA-UHFFFAOYSA-N 322.430 2.888 0 40 DFAB Cc1nccn1-c1cncc(NCc2ccnc(OC(C)C)c2)n1 97104626 OFQIDCKFOWHNNX-UHFFFAOYSA-N 324.388 2.765 0 40 DFAB Cc1cnc2c(c1)N(C(=O)[C@H]1CCCc3cccnc31)CCO2 252508078 XCCNMXCRWHQLIJ-AWEZNQCLSA-N 309.369 2.631 0 40 DFAB CN(C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)C1 252497127 PZPFFYPBSDLYBQ-UTUOFQBUSA-N 321.387 2.842 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)s1 257327114 XAAABMFVKMQXTK-CYBMUJFWSA-N 318.446 2.507 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCCN2c2ncccn2)cs1 257222872 DUYKXLUCIDRFCE-GFCCVEGCSA-N 303.391 2.623 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1 257291679 QIDRRZBQIOJVPR-GOSISDBHSA-N 323.440 2.776 0 40 DFAB Cc1cc(-c2nccnc2[C@H]2CCCN2C(=O)C(C)(C)C)[nH]n1 257208937 BODVXSUBWXNARF-CYBMUJFWSA-N 313.405 2.885 0 40 DFAB CC[C@@H](C)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104205 KRYIFUKAZSPNJF-VQIMIIECSA-N 316.445 2.536 0 40 DFAB CCCc1sc(C(=O)N2CCC(CC(N)=O)CC2)cc1CC 49389966 IZSKQZUZUUKPTE-UHFFFAOYSA-N 322.474 2.991 0 40 DFAB C[C@H](NC(=O)Cn1ccccc1=O)c1cccc2ccccc12 69369014 RGCUMOOLNRUYRN-AWEZNQCLSA-N 306.365 2.879 0 40 DFAB O=C(CSC1CCCC1)NC[C@]1(O)CCc2ccccc21 96025822 IQFPJQSYYXUSNG-QGZVFWFLSA-N 305.443 2.612 0 40 DFAB O=C(O)CCN1CCN(Cc2cccc(Cl)c2Cl)CC1 83663485 VTRLDEWUFNSGSS-UHFFFAOYSA-N 317.216 2.586 0 40 DFAB CC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N/C=C/c1ccccc1 1534690748 DHHWAUYTNPLDCG-IXVOVUJJSA-N 300.402 2.811 0 40 DFAB CC[C@@](CNc1ncnc2c1ncn2C)(OC)c1ccccc1 1775970292 ALKYUJAEIBNWKS-KRWDZBQOSA-N 311.389 2.727 0 40 DFAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc1ccc(C)cc1 12650143 UKHNGZFSBULVPW-AWEZNQCLSA-N 307.390 2.851 0 40 DFAB C[C@@H]1CCCCN1CC(C)(C)NC(=O)c1cc(C2CC2)on1 19496357 JELKAOQXKULTAE-GFCCVEGCSA-N 305.422 2.935 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 205709866 KPIUOECSAMKLBQ-KPKJPENVSA-N 323.345 2.814 0 40 DFAB COc1ccc(NC(C)=O)cc1N=c1[nH]c(SC)ncc1C 1888888434 BOERWGCUBYWSNU-UHFFFAOYSA-N 318.402 2.639 0 40 DFAB c1ccc(N2C[C@@H]3[C@H](CCN3c3ncnc4ccccc34)C2)nc1 1889186923 CTPAVHZJYVPEPI-RHSMWYFYSA-N 317.396 2.740 0 40 DFAB CC(C)C(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2C1CCCCC1 1775964297 BLWZSCOMEQCFGR-QMCVQRASSA-N 320.477 2.964 0 40 DFAB biogenic,in-vitro CC[C@H]1CO[C@]2(CCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1565552047 ZMOKGHJKZGTBLN-FZKQIMNGSA-N 319.401 2.735 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1ccc2nc(C)cn2n1 2298086663 OXZOIIZXVHZIGQ-UHFFFAOYSA-N 316.748 2.952 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)NC[C@H]3CCC[C@@H]3O)c2)o1 96434786 BZPQKKYUUQZMLR-HIFRSBDPSA-N 315.373 2.933 0 40 DFAB O=c1[nH]c(CNc2ccc(F)cc2)nn1Cc1ccc(F)cc1 40268118 LSNGMYQAGLGNLE-UHFFFAOYSA-N 316.311 2.510 0 40 DFAB COC(=O)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 50536422 IAAZTUDPNCWHPI-UHFFFAOYSA-N 304.173 2.560 0 40 DFAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccccc1F 100687401 RSSBLXYOPKNSCF-OAHLLOKOSA-N 311.316 2.803 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)on2)cc1OC 40512699 XUNUIZPYMJTDAI-NSHDSACASA-N 304.346 2.881 0 40 DFAB NC(=O)C1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 20567944 KPSMLLVYIAVZAC-UHFFFAOYSA-N 322.364 2.924 0 40 DFAB CC(C)COC(=O)N1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 101401675 DLUKGIHCOQOYID-HUUCEWRRSA-N 322.449 2.750 0 40 DFAB COC(=O)CCCN(C)C(=O)/C=C/c1c(F)cccc1Cl 51769664 IBSQGTJSKRULJS-CMDGGOBGSA-N 313.756 2.904 0 40 DFAB Cc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1C 97082115 HFSWKBWWCOGNRV-UHFFFAOYSA-N 317.477 2.512 0 40 DFAB CCc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1 2616008 MUSFFAHCDHZGPT-UHFFFAOYSA-N 321.373 2.801 0 40 DFAB Clc1ccc2oc(-c3cnc(N4CCOCC4)nc3)nc2c1 3173297 MHAJUUDTEABQNT-UHFFFAOYSA-N 316.748 2.775 0 40 DFAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccs1 6817648 PYDIGVKVHNDDGD-CYBMUJFWSA-N 318.402 2.972 0 40 DFAB O=C(NCCCn1ccnc1)c1ccc(N2CCCCC2)cc1 7504779 VBKGFPAMULEOAF-UHFFFAOYSA-N 312.417 2.694 0 40 DFAB COc1ccc([C@H](NC(=O)[C@H]2CCO[C@H]2C)C(F)(F)F)cc1 97055697 ZOSMXPILROVWAG-XDTLVQLUSA-N 317.307 2.840 0 40 DFAB C[C@@H](NC(=O)C(=O)NCCC1CCCCC1)c1ccccc1 8265802 QRRSTXWXMHSIGW-CQSZACIVSA-N 302.418 2.950 0 40 DFAB O=C(COc1ccc2c(c1)CCC2)Nc1cnc(C2CC2)nc1 103020846 DMCRRADXAJQVDL-UHFFFAOYSA-N 309.369 2.860 0 40 DFAB CS[C@@H](C)C(=O)NCc1cccc(OCC(F)(F)F)c1 47186649 IVIVYCSYINTWAB-VIFPVBQESA-N 307.337 2.995 0 40 DFAB O=C(NCc1nnc2ccccn12)c1cccc2ccccc12 23244576 ICQOLGPYKATZLY-UHFFFAOYSA-N 302.337 2.813 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nncs1 57153692 DKYVXCAIGDUKHP-NSHDSACASA-N 303.387 2.995 0 40 DFAB O=C(O)C1=C[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 12389038 HQYXBTXGQPNIRW-JTQLQIEISA-N 311.128 2.568 0 40 DFAB O=C(CCCCC(=O)N1C[C@@H]2CC[C@@H]1C2)N1C[C@H]2CC[C@@H]1C2 102764563 NBBDXVSUYXXGDM-QKPAOTATSA-N 304.434 2.569 0 40 DFAB O=C(Nc1nncs1)c1ccc(OCc2cccnc2)cc1 24760683 MUNYNYQEANVAFL-UHFFFAOYSA-N 312.354 2.764 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ncsc2c1 24724025 CMXOLOYOKJXIFD-LBPRGKRZSA-N 306.387 2.614 0 40 DFAB CCc1nc(SCC(=O)Nc2ccccc2C)[nH]c(=O)c1C 35312327 QGNFZBOEJPHTMS-UHFFFAOYSA-N 317.414 2.680 0 40 DFAB CCCOCCn1c(=O)c(Cl)nc2cnc(Cl)cc21 52507839 ZNLGJJQBJZIZEA-UHFFFAOYSA-N 302.161 2.525 0 40 DFAB CN(C)[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 110654519 INCRBHWCFCHWQE-QKPAOTATSA-N 322.836 2.626 0 40 DFAB COc1ccccc1-c1cc(NC(=O)CC[C@@H]2CCCO2)[nH]n1 58224405 YQSXKGZXXJEBJU-LBPRGKRZSA-N 315.373 2.983 0 40 DFAB CCc1nccn1CCCNC(=O)/C=C/c1ccc(OC)cc1 10363737 CYEGPUUFPHOXMU-JXMROGBWSA-N 313.401 2.674 0 40 DFAB COc1ccc(COC[C@H](O)CN(C)c2ccc(F)cc2)cc1 58357233 UJVNIOBCIFKAGB-QGZVFWFLSA-N 319.376 2.848 0 40 DFAB CONC(=O)c1ccc(Oc2cccc(Br)c2)nc1 45013694 QXZQZUOUEOZXNN-UHFFFAOYSA-N 323.146 2.928 0 40 DFAB CCOC(=O)C1CCN(C(=O)CSC2CCCCC2)CC1 3299116 KVWZEYZLMMHTPE-UHFFFAOYSA-N 313.463 2.854 0 40 DFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2scnc2C)c1 48165719 RCOFITMDLRBFJG-UHFFFAOYSA-N 317.414 2.779 0 40 DFAB COCC(=O)Nc1cccc(CNC(=O)c2sccc2C)c1 29260092 FOMGALOOLKOQQQ-UHFFFAOYSA-N 318.398 2.571 0 40 DFAB Cc1cc(F)ccc1NC(=O)CCNC(=O)c1ccsc1 12772182 VYDTWQZAWSTQSJ-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB CCc1ccc(NC(=O)[C@@H](C)NCC(C)(C)CN(C)C)cc1 3454003 ZARLNPABJHYJHQ-CQSZACIVSA-N 305.466 2.753 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2nc(-c3ccoc3)no2)c1 69464843 ZPVHNLGFUWVVPV-RYUDHWBXSA-N 301.350 2.574 0 40 DFAB O=C(CNC(=O)c1ccoc1)N[C@H]1CCCCc2ccccc21 69453338 TXYNUFNRHRVDSW-INIZCTEOSA-N 312.369 2.593 0 40 DFAB O=c1[nH]c(CCSc2nccn2C2CC2)nc2ccccc12 64033278 BYMHJQMDHCLQJS-UHFFFAOYSA-N 312.398 2.789 0 40 DFAB Sc1nnc(-c2cccs2)n1-c1cccc2nonc12 13690466 GRJJKEAGISRAKZ-UHFFFAOYSA-N 301.356 2.821 0 40 DFAB FCCn1cc(Br)c(COCC(F)(F)F)n1 408715578 BTXBEJWDNZCXJW-UHFFFAOYSA-N 305.069 2.694 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)OCCO2 20025637 GFGQPMLSOGXIDL-LBPRGKRZSA-N 313.353 2.957 0 40 DFAB CCCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 65595913 TXFFWDUEHIJDKE-QZTJIDSGSA-N 316.445 2.622 0 40 DFAB CCCN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 14252379 RARJXKAMXWIBSM-UHFFFAOYSA-N 324.490 2.963 0 40 DFAB NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 4844130 SXDWXPXVZPDUFP-UVTDQMKNSA-N 300.745 2.596 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)NCc2cccs2)cc1 6839639 BRGQLKQSLAOFQM-RMKNXTFCSA-N 301.367 2.864 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2)N3)C1 4975197 FHZCWARZDJGPHN-AWEZNQCLSA-N 315.398 2.871 0 40 DFAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)OCO2 9135064 BJMHVIOVQYZZLJ-UHFFFAOYSA-N 309.277 2.774 0 40 DFAB Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccco2)c1C 67264055 ALJWRAUMYFBHRV-UHFFFAOYSA-N 314.320 2.546 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCCCC2)CC1 67800582 ZJNMBWJWKGQEIF-UHFFFAOYSA-N 311.426 2.581 0 40 DFAB Cc1nnc2ccc(N3CCC[C@@H]3c3nc4ccccc4[nH]3)nn12 92584680 YBUYXSDKZHDIHV-CQSZACIVSA-N 319.372 2.651 0 40 DFAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccccc1 7726588 DCGNBHDENMIREU-UHFFFAOYSA-N 316.382 2.614 0 40 DFAB CC(=O)c1ccc(C(=O)NCCc2cn3ccccc3n2)s1 25528450 BGSNIKDINIXLFN-UHFFFAOYSA-N 313.382 2.571 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc2ccc3ccccc3n12 7997304 IFVHWHFQVKQTTM-LLVKDONJSA-N 314.414 2.889 0 40 DFAB Cc1ncsc1CN(C)[C@H]1CCN(c2ccccc2)C1=O 68830487 BKROTDAGZOZHPG-AWEZNQCLSA-N 301.415 2.689 0 40 DFAB Cc1cnc(C(=O)N(CCN2CCCC2)Cc2ccccc2)cn1 72275293 FIYWVRGSTWMLTM-UHFFFAOYSA-N 324.428 2.523 0 40 DFAB Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12 72233698 LULFIGFUHYZAGK-UHFFFAOYSA-N 308.385 2.503 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@H](O)c2ccc(F)cc2F)cn1 71797200 MZIXJTAUNBGQEB-CVEARBPZSA-N 307.344 2.569 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(Br)o2)cn1 71797000 FFSVXUCZDCTPPD-SNVBAGLBSA-N 324.178 2.753 0 40 DFAB Cn1cc(CCCCNC(=O)C(C)(C)c2cccc(F)c2)cn1 96412380 LCDBBPBTNZIZQD-UHFFFAOYSA-N 317.408 2.976 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1F 9550055 ZKMPANDKIVYNSO-CQSZACIVSA-N 304.321 2.501 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 71866328 VEOPHXROTUYXNX-GVDBMIGSSA-N 313.376 2.817 0 40 DFAB O=C(NCCc1cccc(O)c1)N[C@@H](c1nccs1)C1CC1 78952449 IPUWVDJPWRTVHP-CQSZACIVSA-N 317.414 2.842 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 72313400 KSHLKQQZCFBOFU-OCCSQVGLSA-N 301.390 2.636 0 40 DFAB C[C@H]1CC[C@H](CCC(=O)Nc2sccc2C(=O)NC2CC2)O1 78949554 FXXCAUOOEZHOJX-CMPLNLGQSA-N 322.430 2.927 0 40 DFAB CC(=O)N1CC[C@H](NCc2cc3cc(F)ccc3o2)[C@H](C)C1 84714780 BHMGMPFKCNBWCI-BZNIZROVSA-N 304.365 2.918 0 40 DFAB COc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1OC(F)F 95441534 BBBDMOJXEMWUCC-MRVPVSSYSA-N 311.288 2.511 0 40 DFAB O=C(c1csnn1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95434153 JBOVTZAEKFPORQ-YPMHNXCESA-N 321.402 2.640 0 40 DFAB NC(=O)[C@H]1CCCN1Cc1ccccc1NCc1ccsc1 95428969 SATQFKRCQXYIOQ-MRXNPFEDSA-N 315.442 2.810 0 40 DFAB CN(CC1(O)CCC1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 95940301 HMWCDVSHLHGFKI-QWRGUYRKSA-N 311.784 2.956 0 40 DFAB O=C(NCCc1nccs1)c1c(F)c(F)cc(F)c1F 95963545 NNIXHGBWEVQCJC-UHFFFAOYSA-N 304.268 2.672 0 40 DFAB Cn1cc(-c2cccc(CNC(=O)CCc3ccncc3)c2)cn1 95977831 XJBRPPDQYJIAOU-UHFFFAOYSA-N 320.396 2.731 0 40 DFAB CCSC[C@H](C)N(C)c1ccc(-n2nc(C)cc2C)nn1 89275214 ZUNRWLCUMLIGMP-ZDUSSCGKSA-N 305.451 2.857 0 40 DFAB CS(=O)(=O)NC(=O)c1cc(-c2ccccc2)ccc1Cl 89486562 NEDKRRHRVGFOAA-UHFFFAOYSA-N 309.774 2.696 0 40 DFAB CC1(C)CCN1C(=O)[C@H]1CCCN1c1ncnc2sccc12 89919469 BKYMZLSRRBEQDG-GFCCVEGCSA-N 316.430 2.671 0 40 DFAB C[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccccn1 89909962 DQPVUWVHFXHPBL-GFCCVEGCSA-N 311.341 2.529 0 40 DFAB Cc1oc2nc(CN[C@H]3CC(C)(C)OC3(C)C)nc(N)c2c1C 119686430 ITKWZWFUOMHGJZ-NSHDSACASA-N 318.421 2.858 0 40 DFAB CNc1snc(C)c1C(=O)NCc1ccc2c(c1)CCC2 60693221 YWWKFQYBNSGGIL-UHFFFAOYSA-N 301.415 2.912 0 40 DFAB CCOC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 409086241 GOIYIOMRDHFFRI-UHFFFAOYSA-N 305.403 2.848 0 40 DFAB O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCCC2)CC1 20612001 ADIHBKOHHJFHRI-UHFFFAOYSA-N 320.820 2.815 0 40 DFAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 61341908 DUROTVJSEIAELN-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB CC(C)OCCCNC(=O)c1snnc1-c1ccccc1 36360766 ULSDWRHJRFPSIG-UHFFFAOYSA-N 305.403 2.750 0 40 DFAB CN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccc(F)cc2)CC1 60344576 SIFBTQJSBZDLLY-UHFFFAOYSA-N 307.365 2.657 0 40 DFAB O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccc1 306136291 POYRUPBRYPGQPQ-RTBURBONSA-N 321.424 2.779 0 40 DFAB Cc1cnoc1CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 71256113 CTUOJUNJCOUJSX-LBPRGKRZSA-N 308.378 2.742 0 40 DFAB Clc1cn[nH]c1-c1nn2c(Cc3ccccc3)nnc2s1 72401707 RXAOKSOCRDWALR-UHFFFAOYSA-N 316.777 2.820 0 40 DFAB O=C(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1ccccn1 32818337 RUMMIBPGAGKJEO-QWRGUYRKSA-N 302.296 2.702 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1cncc(N2CCC(C)CC2)n1 72366276 ZLWBGCBKCNRVCN-MRXNPFEDSA-N 302.422 2.786 0 40 DFAB Cc1ccnc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203112 UQPASTHNBWHOGF-ZDUSSCGKSA-N 307.394 2.811 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(=O)O)[C@@H]2c2ccccc2)cc1 218051791 PXBKHZFENFUAOZ-ARFHVFGLSA-N 316.378 2.636 0 40 DFAB COc1cc(Cl)c2[nH]c(-c3cccc(C(N)=O)c3)nc2c1 216920028 LWHHHWFZBUDEGQ-UHFFFAOYSA-N 301.733 2.991 0 40 DFAB Fc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228919937 MUGFPTHHMWTMEP-UHFFFAOYSA-N 312.352 2.634 0 40 DFAB CCCOc1c(Cl)cc(C(=O)N2CCOCC2)cc1OC 42629223 FJOLQEQWAOAJLZ-UHFFFAOYSA-N 313.781 2.610 0 40 DFAB CC(C)(C)c1ccc(-c2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223447437 XHEYVEHWTBJCRK-UHFFFAOYSA-N 300.358 2.752 0 40 DFAB CCn1ccnc1CN[C@H]1CCN(c2cccc(Cl)c2)C1 80342033 NIBJYHHEWNCCRP-AWEZNQCLSA-N 304.825 2.925 0 40 DFAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 223036771 UYHLZXCFBQZLJW-CABCVRRESA-N 317.414 2.684 0 40 DFAB CC(C)c1nc(S(=O)(=O)N[C@H](c2ccccn2)C(C)C)c[nH]1 80759146 HYXLWKARDQOTGK-AWEZNQCLSA-N 322.434 2.604 0 40 DFAB CC(C)c1noc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 613210816 QWEGJARJFJUTMY-GJZGRUSLSA-N 312.417 2.761 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)N[C@@H](C)CC 223139075 WVOXBWYSAVUXOO-QWHCGFSZSA-N 308.397 2.868 0 40 DFAB Cc1cccc([C@@H](C)CNC(=O)N(C)C[C@H](O)C(F)(F)F)c1 96502864 SECRAJJBEAKQPF-AAEUAGOBSA-N 318.339 2.663 0 40 DFAB COc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1 96403863 FLKLEXDGIHMTCF-GOSISDBHSA-N 308.385 2.818 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](CN(C)C)N3C)C2)s1 96185549 GVTJXXQWPRMGAI-VYDXJSESSA-N 307.507 2.513 0 40 DFAB Cc1nc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)sc1C 96461783 NVVKZZFRKKKVCM-AWEZNQCLSA-N 321.427 2.789 0 40 DFAB Cc1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)o1 96054185 MDBOHPMEXYOHAG-ZBFHGGJFSA-N 314.385 2.918 0 40 DFAB C[C@H]1C[C@H](N(C)CCn2cccn2)CCN1Cc1ccccc1 96414941 AHDHPUAGZKBXTG-PKOBYXMFSA-N 312.461 2.868 0 40 DFAB Cc1ccc(N2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)nn1 96109226 QJNATUHLYNEGJB-QAPCUYQASA-N 310.401 2.866 0 40 DFAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCC2CCNCC2)C1 579690512 QAYJKUVHNNMRJE-LJQANCHMSA-N 315.461 2.749 0 40 DFAB COCc1cncc2c1CCN(Cc1ccc3c(c1)OCO3)C2 96189274 NYMDDRMMMJVKEH-UHFFFAOYSA-N 312.369 2.515 0 40 DFAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@@H]1CCCC[C@H]1C 245228447 YRVUYMPRNKRDFL-HLLGDPNASA-N 305.374 2.919 0 40 DFAB CC1=Cc2c(cc(C)n(CC(=O)O)c2=O)O[C@H]1c1ccccc1 257316347 VFEGONKFGSYYMF-QGZVFWFLSA-N 311.337 2.778 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc(C)s2)n1 257226581 FLGIXEIFTWRFFE-GFCCVEGCSA-N 302.403 2.866 0 40 DFAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)n1cc(-c2ccccc2)cn1 253393999 GHVUJZUNFCRMKF-KFWWJZLASA-N 313.401 2.747 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cccc(C3CC3)n2)C[C@H](C)[S@]1=O 296834126 JISPEFNDDAEGCX-WBLQJCTDSA-N 321.446 2.722 0 40 DFAB Cc1occc1C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 58641977 IPNHLVQXRDLMRS-NSHDSACASA-N 321.398 2.825 0 40 DFAB COC(=O)c1cccc(OCCSc2nncn2C2CC2)c1 58136501 FKABCSHBGIUNMP-UHFFFAOYSA-N 319.386 2.571 0 40 DFAB COc1cccc(Cc2nnc(NC(=O)NCC3CC3)s2)c1 69696982 PCPDRZSNJXCIOX-UHFFFAOYSA-N 318.402 2.669 0 40 DFAB Cc1nnc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)s1 952989963 QQQCXBRXPWJEBR-UHFFFAOYSA-N 321.745 2.859 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccc(F)c2)C1=O 1164068 OIAIOWKCCCABOI-ZPBHHCQCSA-N 323.345 2.814 0 40 DFAB Cc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)cc1 12853098 MPJSAZQABLIFAD-UHFFFAOYSA-N 318.340 2.747 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1F 15989934 NRJIRCLDJSOYEU-OAHLLOKOSA-N 316.332 2.732 0 40 DFAB Cc1cnc(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)o1 156398275 XHLVGXOVWGVNEA-UHFFFAOYSA-N 301.277 2.869 0 40 DFAB CCN(CC)C[C@@H](O)CO[C@H](Cc1ccccc1)C(F)(F)F 2556071 GOKMUNUHXSHUQV-HUUCEWRRSA-N 319.367 2.879 0 40 DFAB CC(C)NC(=O)NC(=O)COc1cccc(Cl)c1Cl 5746981 QWJPWIKSEVENDE-UHFFFAOYSA-N 305.161 2.606 0 40 DFAB Cc1ccc(C(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cc1F 1888849906 JNLFQFKKZGFNSO-GJZGRUSLSA-N 302.393 2.690 0 40 DFAB CN(Cc1ccco1)C(=O)CSc1nc(C2CCCC2)n[nH]1 31796508 BUBYUPOKSHFEOH-UHFFFAOYSA-N 320.418 2.806 0 40 DFAB Cn1c(N2CCC(NC(=O)C(C)(C)C)CC2)nc2ccccc21 2087128267 HSGDTUNRFHNDHW-UHFFFAOYSA-N 314.433 2.704 0 40 DFAB Cn1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)nn1 575414087 RFECPJOVBGJQDY-UHFFFAOYSA-N 318.427 2.578 0 40 DFAB O=C(Cc1ccsc1)N[C@@H]1CCN(Cc2ccsc2)C1 618257036 PMSUNAQRUKYCGD-CQSZACIVSA-N 306.456 2.743 0 40 DFAB Cc1nccc(CNC(=O)CCCOc2ccccc2Cl)n1 50335159 QPJDYWVKSDQQAO-UHFFFAOYSA-N 319.792 2.914 0 40 DFAB O[C@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 20218744 RQBHWFJFDZSZIT-GOSISDBHSA-N 300.377 2.681 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](C)C3)s2)o1 31257259 NSXRSQNYIZRQRT-JTQLQIEISA-N 306.387 2.881 0 40 DFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccccc1 40466291 FZOXGOJPNFKJHM-CQSZACIVSA-N 318.442 2.570 0 40 DFAB CN(C(=O)N[C@@H]1CCCc2c1cnn2C)C(C1CC1)C1CC1 51278560 VJMCELOKKSBBGF-CQSZACIVSA-N 302.422 2.628 0 40 DFAB O=C(CCCn1cncn1)NC1(c2ccc(Cl)cc2)CCC1 51419146 WZPCZWUFONBFCR-UHFFFAOYSA-N 318.808 2.907 0 40 DFAB CCCCC[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 29432563 NYFYSPCCBVHMDU-NSHDSACASA-N 304.390 2.593 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](n2cccn2)C1 69417934 KCTGAQPGJLOVOD-WBVHZDCISA-N 313.401 2.652 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@H]1CCOC1 41365849 DDZOWCKBIVUCFA-CQSZACIVSA-N 316.426 2.809 0 40 DFAB CC[C@@H](C)C(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 41617289 OERGEODDOUMPBO-IAGOWNOFSA-N 317.477 2.750 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)N[C@H]1CCc2ccccc21 22282625 VFMIQDRSCCIQDH-SFHVURJKSA-N 322.408 2.539 0 40 DFAB Cc1ccc(C)c(COC(=O)c2ccc3c(c2)OCC(=O)N3)c1 22260034 FFCGXFZDMGRNFW-UHFFFAOYSA-N 311.337 2.991 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)CCC(C)C 20151328 AZFDEPQXFKIGHO-UHFFFAOYSA-N 324.402 2.643 0 40 DFAB COC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C 20634149 WYEIDQLKRUBYHT-UHFFFAOYSA-N 323.356 2.875 0 40 DFAB O=C(NCc1ccco1)c1nc(-c2cccc3[nH]ccc23)no1 12390075 SQDRNYVGZHXWTP-UHFFFAOYSA-N 308.297 2.741 0 40 DFAB C[C@@H](Nc1ccc2nnnn2n1)c1ccc(Cl)c(Cl)c1 23055381 YVTXHQYAVLAFTI-SSDOTTSWSA-N 309.160 2.999 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N(C)CCCc2ccccc2)on1 52802791 MYWLAKVSZZUYNI-AWEZNQCLSA-N 301.390 2.875 0 40 DFAB CCN(Cc1cccc(C)c1)Cn1nnc2ccccc2c1=O 54467274 SNVAWCAWWLPRBN-UHFFFAOYSA-N 308.385 2.580 0 40 DFAB COCCn1cc(NC(=O)N[C@H]2CCCc3ccccc32)cn1 42958969 JIGOZWVZJLPOOS-INIZCTEOSA-N 314.389 2.729 0 40 DFAB O=C(NC1CC1)[C@H](Nc1cccc2c1OCCO2)c1ccccc1 55156582 XBXTWFLHZXJNFW-QGZVFWFLSA-N 324.380 2.890 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCC2CC2)s1 107087687 FDJDABLHIGAWDC-DZKIICNBSA-N 321.442 2.855 0 40 DFAB CN(C)CCCNC(=O)CSCc1cccc(Cl)c1 13669714 BXHJHDLTIHPDSM-UHFFFAOYSA-N 300.855 2.641 0 40 DFAB CN(C)[C@@H](CNC(=O)c1n[nH]c2ccccc12)c1ccsc1 25331491 WAWFPESSDFYHCT-AWEZNQCLSA-N 314.414 2.657 0 40 DFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(F)cc1 3250123 SIZDVDDOAWRACA-UHFFFAOYSA-N 314.238 2.645 0 40 DFAB CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)c1ccccc1 3273637 AFLJBISTDPDSFK-UHFFFAOYSA-N 318.760 2.742 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)NC1CCCC1 58017055 HCLFSDWRZMFPMW-SNVBAGLBSA-N 309.797 2.909 0 40 DFAB COCCOC1CN(C(=O)c2sc3ccc(F)cc3c2C)C1 76094632 WSUFBBLQGHBMID-UHFFFAOYSA-N 323.389 2.836 0 40 DFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(F)c2)C[C@@H](C)O1 58210720 URONCKOVQFAPRK-CPUCHLNUSA-N 320.408 2.540 0 40 DFAB CCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC)(C3)C2 58298351 LEPFMYHUINSAKL-UHFFFAOYSA-N 306.450 2.625 0 40 DFAB C[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 12633638 MVVMYZAQGQRPCR-PHIMTYICSA-N 316.323 2.753 0 40 DFAB CO[C@@H](CNc1cc(C(N)=O)ccn1)c1ccc(Cl)cc1 78381561 DLDDNWNYTCWLLA-ZDUSSCGKSA-N 305.765 2.634 0 40 DFAB O=C(NCCC1=CCCCC1)c1ccc(Cn2cncn2)cc1 11605121 DIGLWXLVWNJMCO-UHFFFAOYSA-N 310.401 2.947 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNCc1ccnc(N(C)C)c1 48711424 OUXJKNZCHASIKP-UHFFFAOYSA-N 321.856 2.948 0 40 DFAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc[n+]([O-])c1 13099659 AUOLLNTWDGOVOR-UHFFFAOYSA-N 311.385 2.953 0 40 DFAB Cc1c(C(=O)NCc2ccc(OC3CCCC3)cc2)cnn1C 69631598 SJDZLBSESLPXJR-UHFFFAOYSA-N 313.401 2.980 0 40 DFAB O=C(OCCn1c(=O)oc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 64200906 NZFNAKAKAVNLHA-LSDHHAIUSA-N 323.348 2.941 0 40 DFAB O=C(CCn1cccn1)Nc1nnc(-c2ccccc2F)s1 39404108 AYLCOERYWWLULA-UHFFFAOYSA-N 317.349 2.570 0 40 DFAB CC(=O)c1csc(NC(=O)COc2ccc3c(c2)CCC3)n1 18232990 IHDHHPFLQFLTHG-UHFFFAOYSA-N 316.382 2.852 0 40 DFAB CC(C)[C@@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 4741134 KQUZNKMTBNJFQD-MRXNPFEDSA-N 317.341 2.993 0 40 DFAB COc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1 14704978 ALVMBPQYCOJWLK-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c(C)c1 15243146 IJJUQEMABMHDQQ-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)s1 84290573 YGAREQQIUSCTFZ-SNVBAGLBSA-N 304.375 2.689 0 40 DFAB CCc1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)c2ccccc2n1 97147363 XTILAJHNROHIPL-LBPRGKRZSA-N 311.385 2.604 0 40 DFAB C[C@H](Sc1nncs1)C(=O)NCc1ccc(Cl)cc1 16865788 PDDKPNMDRMCUFX-QMMMGPOBSA-N 313.835 2.989 0 40 DFAB CCOC(=O)Oc1c(CC)c(C)nn1-c1nc(C)cc(C)n1 9341821 RIXHQKIQADLGBP-UHFFFAOYSA-N 304.350 2.685 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2F)c1C 9497146 XXSRCQAFHFAKEV-UHFFFAOYSA-N 302.349 2.946 0 40 DFAB O=S(=O)(Cc1ccccc1F)Nc1ccc2[nH]ncc2c1 97140245 AVUSCNMCZXUNDR-UHFFFAOYSA-N 305.334 2.644 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@]1(C)CO 97165938 JRECJIPJGJAFTA-SUMWQHHRSA-N 306.406 2.621 0 40 DFAB CC[C@H](NC(=O)CCOCc1ccccc1)C1CCOCC1 72307192 CBEMXTRZXSPHQF-KRWDZBQOSA-N 305.418 2.915 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@H](C)C1 78897225 FFZSEKRMUXVZTA-BXUZGUMPSA-N 307.463 2.757 0 40 DFAB C/C=C/C=C/C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 71893716 HBFIKTYRTGWGBA-OYWNETOHSA-N 304.777 2.694 0 40 DFAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@@H]3C(C)C)c2n1 71829964 RSKCKMXPXVUHFW-CQSZACIVSA-N 300.406 2.915 0 40 DFAB OC1CCN(c2ccnc3cc(Br)ccc23)CC1 71909386 LXEARRMDCVMFOL-UHFFFAOYSA-N 307.191 2.958 0 40 DFAB Fc1ccc(-c2nnc3sc(-c4ccn[nH]4)nn23)cc1F 72400604 LLPWOIPKDOTEDL-UHFFFAOYSA-N 304.285 2.521 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)C1CC1 84064790 GGZNLJYOHXERLH-SNVBAGLBSA-N 302.403 2.779 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)C2CCOCC2)c1C 95402891 IQYVSPQEPBFECM-QGZVFWFLSA-N 323.458 2.949 0 40 DFAB Cc1cc(C)n2c(CNC[C@@H]3CCO[C@@H]3C(C)(C)C)cnc2n1 95430373 PELBYAUZNSNVQS-HOCLYGCPSA-N 316.449 2.887 0 40 DFAB CS(=O)(=O)CCNc1cc(C(F)(F)F)nc2ccccc12 95403365 ZSHPEGFBPKNUPM-UHFFFAOYSA-N 318.320 2.710 0 40 DFAB COC[C@@](C)(NC(=O)c1cc(C(C)C)n(C)n1)c1ccccc1 79737809 XAPMELJSGCUBEZ-GOSISDBHSA-N 315.417 2.835 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H](O)c1ccccc1 74004055 YNFRKOMHYKGRDH-XNRPHZJLSA-N 303.308 2.671 0 40 DFAB COc1cc(CCNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)ccc1O 74264947 OGXWPHBVJACYDF-HUUCEWRRSA-N 316.401 2.551 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccsc2)c1C 9950626 LSMIMJYCAHRRCT-UHFFFAOYSA-N 321.354 2.519 0 40 DFAB Cc1noc(C)c1[C@@H](C)CC(=O)N1C[C@@H](C)Oc2ncccc21 89526234 NQMBISLMFGMQAR-WDEREUQCSA-N 315.373 2.994 0 40 DFAB Cc1cccc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1 75121710 RDVWQPZADUAMQZ-UHFFFAOYSA-N 319.364 2.675 0 40 DFAB CC(C)c1noc([C@@H]2CC(=O)N(CCc3cccs3)C2)n1 42381110 WXQFPCDLCQARGX-LLVKDONJSA-N 305.403 2.813 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1Cl)CC(=O)O2 524733641 YXQPZDMUHDFJDR-NSHDSACASA-N 321.735 2.927 0 40 DFAB CC(C)Cn1cc(C(=O)Nc2cn(C)nc2-c2ccco2)cn1 529841502 UIWFDIXQHJMOOI-UHFFFAOYSA-N 313.361 2.785 0 40 DFAB O=c1[nH]c(CNc2cccc(F)c2)nn1Cc1ccccc1F 66089598 QFPNPMXMTHWCAJ-UHFFFAOYSA-N 316.311 2.510 0 40 DFAB 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2.707 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)CSc2ncc3ccccn23)C1 49783025 VXLRWDUJLBUXRO-STQMWFEESA-N 303.431 2.931 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCc1cnn2ccccc12 75162761 UAGFBEXEPFTQQQ-UHFFFAOYSA-N 315.760 2.683 0 40 DFAB Fc1ccccc1Nc1ncnc2c1cnn2C1CCNCC1 228931610 QPMKJFYWGSHYMF-UHFFFAOYSA-N 312.352 2.634 0 40 DFAB Cc1csc(NC(=O)Cn2ncc3c2c(C)nn3C(C)C)n1 46087551 WGCIOSIAYAXBDX-UHFFFAOYSA-N 318.406 2.526 0 40 DFAB CCCOc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 192679665 XTDFSKKAYIBVOS-UHFFFAOYSA-N 318.398 2.792 0 40 DFAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(C)(CO)CC1 195564007 PRNUKHCBRMUKPY-CJNGLKHVSA-N 302.418 2.724 0 40 DFAB COC[C@H]1COCCC12CCN(Cc1nc(C)cs1)CC2 96207935 WYUOQVZUEHCEMF-AWEZNQCLSA-N 310.463 2.717 0 40 DFAB Cc1c(CNC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cnn1C 583607542 XDIYOEZQMRBRLD-HOCLYGCPSA-N 304.438 2.744 0 40 DFAB Cc1cnc(N2CCC[C@]3(CCCN3Cc3cccnc3)C2)nc1 96214910 ICBFPDOTRARWEX-IBGZPJMESA-N 323.444 2.815 0 40 DFAB CC(=O)N1CCc2cc(C(=O)O[C@@H](C)C(F)(F)F)ccc21 96443058 ISURBQIBZMHBCK-QMMMGPOBSA-N 301.264 2.703 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2ccoc2C)nc1C1CC1 97235807 BHXQOCRLGZTILC-UHFFFAOYSA-N 314.341 2.577 0 40 DFAB C[C@H](C(=O)NCCNC(=O)C1CCCCC1)c1cccc(F)c1 96425031 LKNAEPBQRHAGDN-ZDUSSCGKSA-N 320.408 2.742 0 40 DFAB CC[C@H]1CCCN(C(=O)[C@H](NC2CCOCC2)C(C)C)CC1 96436607 HUGUEZMONPELCA-DOTOQJQBSA-N 310.482 2.818 0 40 DFAB COc1ccc(CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)cc1 330460887 RKZGQNRCRMDWFH-UHFFFAOYSA-N 313.401 2.822 0 40 DFAB CC(C)(C)c1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)no1 96410637 QCUXIUCOOIPXEB-CYBMUJFWSA-N 317.389 2.697 0 40 DFAB Cc1ccccc1CN1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257261888 LJFJAHACCSRUJI-SFHVURJKSA-N 309.413 2.619 0 40 DFAB CC(=O)N1CCC(c2cncc(-c3ccnn3C(C)C)n2)CC1 257245686 IQQBSEDENWXJAN-UHFFFAOYSA-N 313.405 2.647 0 40 DFAB c1ccc(-n2cc(-c3ccc(NC[C@H]4CCCO4)nc3)cn2)nc1 530249597 BJBFYIIQGLYBGP-MRXNPFEDSA-N 321.384 2.920 0 40 DFAB Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cncc(O)c1 286201595 WGPDWCODYNICIT-UHFFFAOYSA-N 309.369 2.725 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575406092 VNWSUCXPDOGOID-CYBMUJFWSA-N 306.431 2.593 0 40 DFAB O=C(NCc1cccs1)c1cccc(N2CCOC2=O)c1 44966056 YSJDINXKQNWCBO-UHFFFAOYSA-N 302.355 2.635 0 40 DFAB CCc1noc(C)c1C(=O)NC1CCN(c2ccccc2)CC1 56166181 JGZCRYNLSYKVLM-UHFFFAOYSA-N 313.401 2.944 0 40 DFAB O=C(N[C@H]1CCCCNC1=O)c1sccc1-c1ccccc1 56977845 KENVYZQAFZHVCS-AWEZNQCLSA-N 314.410 2.814 0 40 DFAB CCc1nnsc1C(=O)NCC(C)(C)c1ccccc1OC 58201489 PIYZDKAUUQTORY-UHFFFAOYSA-N 319.430 2.817 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N1CCN(Cc2nccn2C)CC1 65611329 DWHXEPQPDPBYNG-ZDUSSCGKSA-N 320.387 2.577 0 40 DFAB O=C(CCCc1ccc(F)c(F)c1)N[C@@H]1CCC[C@H]1C(=O)O 97035649 BRPIJZGLWKSIOP-BXUZGUMPSA-N 311.328 2.657 0 40 DFAB COc1cc(/C=C/C(=O)NC[C@H]2CCCO2)ccc1OC(C)C 148939 YDPNLFRVHZXKEM-LOWQCSRCSA-N 319.401 2.791 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 5293953 TVUODMIUNPOOOH-INIZCTEOSA-N 314.385 2.659 0 40 DFAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1C=CS(=O)(=O)C1 5328543 COVPCGDJDWMRFG-MRVPVSSYSA-N 322.169 2.853 0 40 DFAB COc1cccc(C(=O)COC(=O)c2cccc(N(C)C)c2)c1 11030537 CIUXNLPWEWYHOC-UHFFFAOYSA-N 313.353 2.801 0 40 DFAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2cccnc2)C1 12089302 JZXTUECQZXOWPD-HNNXBMFYSA-N 309.369 2.827 0 40 DFAB O=C(c1cccnc1)C1CCN(C(=O)Cc2ccsc2)CC1 12157074 CFMNFDWSJZLUCJ-UHFFFAOYSA-N 314.410 2.807 0 40 DFAB O=C(c1cccc(F)c1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19293526 DQOHNDZDONHCFE-CQSZACIVSA-N 324.315 2.858 0 40 DFAB COc1ccc(/N=c2\sc(C)c(OC(C)=O)n2C(C)=O)cc1 5375675 LSIYYRVOUBDIAF-NXVVXOECSA-N 320.370 2.684 0 40 DFAB CCc1nnc(S/C(=C\c2cc(C)n(C)c2C)C(=O)O)[nH]1 7342535 ZZFIAWSCAGYJGA-XFFZJAGNSA-N 306.391 2.540 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2nc(C3CC3)ns2)C1 1889089371 MIAADPKOZYBFOP-LBPRGKRZSA-N 302.403 2.777 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[nH]3)cc2)c(C)c1 25774079 NHEXHXVQNPDUNC-UHFFFAOYSA-N 321.384 2.756 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1 62526 GLKGFTOWPTVOOH-OAHLLOKOSA-N 302.418 2.764 0 40 DFAB O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccco1 4377096 ZGJOEMVNEMLRGW-UHFFFAOYSA-N 305.297 2.637 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 4517933 HTFIQWPJPHCIHT-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB CCCSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 2298136582 VLSYACGQAYPIIN-UHFFFAOYSA-N 304.350 2.521 0 40 DFAB CS(=O)(=O)CCN1CCC(c2nc3ccccc3s2)CC1 40460653 BGLOYFJPIHBUOU-UHFFFAOYSA-N 324.471 2.520 0 40 DFAB C[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)CCO1 40477926 GBYLVHRZTUZYRY-LBPRGKRZSA-N 318.398 2.583 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)NOCc1ccccc1 29728508 OWBQVYJMSZJQFF-OAHLLOKOSA-N 320.776 2.804 0 40 DFAB CCNc1nc(SCC(=O)N2CCCC2)nc2ccccc12 9501952 QOXIXKFPXQRNTL-UHFFFAOYSA-N 316.430 2.776 0 40 DFAB CC(C)[C@H](OC(=O)c1ccco1)C(=O)NCc1ccccc1 1380991 WPBDQYROWADUNT-HNNXBMFYSA-N 301.342 2.777 0 40 DFAB COc1ccc([C@@H]2CCCN2c2cc(C)nc3ncnn23)cc1 32717203 ICTYJRRRAHWQDR-HNNXBMFYSA-N 309.373 2.783 0 40 DFAB Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1CCCC1 2780983 RCXZQMXADQZBAF-UHFFFAOYSA-N 309.719 2.876 0 40 DFAB O=C(Nc1ccc(I)cn1)c1ccccc1 4746804 SBXSJMHVAGYSIH-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB CCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 4934512 GBUROWTYPOKMAU-HNNXBMFYSA-N 303.406 2.908 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1ccc(Cl)cc1 6472202 BHJUASNSOCANDM-OSRDXIQISA-N 319.788 2.869 0 40 DFAB CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)no1 6726640 PTJRONGPUOQINW-PSJXJDHFSA-N 306.362 2.658 0 40 DFAB CCc1ccc([C@H](C)NC(=O)CNC(=O)C2CCCC2)cc1 32914030 BUJMEUWJACAEFV-ZDUSSCGKSA-N 302.418 2.733 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@H]1C[C@H]2C=C[C@H]1C2 102762120 YGAUOQWWEWHPFY-UBHSHLNASA-N 321.384 2.690 0 40 DFAB O=CN1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 10284587 ATNMKQMSAOIKNY-UHFFFAOYSA-N 308.337 2.500 0 40 DFAB COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 8699262 HMAXDKCSXKNKKD-STQMWFEESA-N 321.373 2.730 0 40 DFAB NC(=O)CN(C(=O)CCc1ccccc1Cl)C1CCCC1 47236324 ODZAEUVVPDULNI-UHFFFAOYSA-N 308.809 2.529 0 40 DFAB O=C(N[C@@H]1CCCCC[C@@H]1C(=O)O)c1cccc2cc[nH]c12 97013649 PNUFJFSQWFCLRX-GXTWGEPZSA-N 300.358 2.931 0 40 DFAB 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CCc1ncc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2CC)s1 69665067 UTIOZQJQHOZKGD-QWHCGFSZSA-N 307.463 2.794 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCOC1)[C@@H](C)Oc1ccccc1 96455094 WCLWGNGUAAJTJY-ZNMIVQPWSA-N 306.406 2.520 0 40 DFAB C[C@@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccncc1 97370718 NRPMJJFRBXCMLG-YPMHNXCESA-N 315.339 2.533 0 40 DFAB c1ccc2c(c1)CN(c1ccc3nnnn3n1)Cc1ccccc1-2 95393025 SZYMOXAPARJBFF-UHFFFAOYSA-N 314.352 2.707 0 40 DFAB CC(C)(C)c1ncsc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 95447865 IGYKLPVGNJNNHQ-CHWSQXEVSA-N 316.426 2.829 0 40 DFAB CO[C@@]1(C)C[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1(C)C 73271459 LDULKBIATJEQNU-YOEHRIQHSA-N 322.380 2.718 0 40 DFAB CCN(C)Cc1cccc(CNc2nc3ccccc3c(=O)[nH]2)c1 97995093 BMKGLRDEPOVQSR-UHFFFAOYSA-N 322.412 2.987 0 40 DFAB CCc1noc(CC)c1Cc1nc(-c2ccc(OC)nc2)no1 88336862 GZBTZVABJVQABN-UHFFFAOYSA-N 314.345 2.844 0 40 DFAB O=C(Nc1cccnn1)c1cccc(-c2noc(C3CC3)n2)c1 78949591 DPPBNFRCQFQIPE-UHFFFAOYSA-N 307.313 2.656 0 40 DFAB Cn1cc(NC(=O)N2CCC[C@H]2Cc2ccccc2)ccc1=O 95954515 RJXJOJHJLUQKLK-INIZCTEOSA-N 311.385 2.624 0 40 DFAB Cn1nccc1CNC(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 95965939 HFKVCOILBHQFJP-BEFAXECRSA-N 324.428 2.514 0 40 DFAB COc1ccc([C@@H](O)CNc2ncccc2Cl)cc1OC 88724600 ODBYKIZNIMSTTP-LBPRGKRZSA-N 308.765 2.898 0 40 DFAB O=C(Cc1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 74725034 MNCYLMKMLYMZPO-UHFFFAOYSA-N 315.804 2.626 0 40 DFAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccnc1Cl 79044150 OVRREQWULMRLMS-CQSZACIVSA-N 317.820 2.638 0 40 DFAB O=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1ccc[nH]1 79264403 FMTMQVFWDAVCSZ-INIZCTEOSA-N 304.415 2.724 0 40 DFAB O=C(NC(C1CC1)C1CC1)N[C@@H]1CCO[C@@]2(CCSC2)C1 89598152 DSMBVKAHQORMNR-CJNGLKHVSA-N 310.463 2.529 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1C 89502467 YYUMUQXDEXYLCP-WQVCFCJDSA-N 316.401 2.522 0 40 DFAB COc1ccc([C@@H](NC(=O)c2ccc(C)[nH]c2=O)C(C)C)cc1 75120949 AELIVMLFYGDWGE-INIZCTEOSA-N 314.385 2.819 0 40 DFAB O=C(Nc1ccnn1CC1CC1)c1ccccc1-n1cccn1 89811940 PZFQLWHLLKUQGJ-UHFFFAOYSA-N 307.357 2.731 0 40 DFAB CCn1cc(NC(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)ccc1=O 89948151 UCUHWPHBRVXIHN-UONOGXRCSA-N 321.421 2.583 0 40 DFAB COc1cccc2cc(CN[C@@H]3CCN(C(C)=O)C[C@@H]3C)oc12 89937448 VGNUMPKWBCDZIF-BLLLJJGKSA-N 316.401 2.788 0 40 DFAB CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3[nH]c1=O)C2 79191851 RIDKCQBVPBVGKD-UHFFFAOYSA-N 309.413 2.574 0 40 DFAB biogenic C[C@H](Cn1cc(Br)cn1)C(=O)NC1CCCCC1 32611160 ZIDKFLVZQHQTIL-SNVBAGLBSA-N 314.227 2.731 0 40 DFAB Cc1nccc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)n1 72355614 ZIZXPOZXZVDPTR-OAHLLOKOSA-N 306.373 2.707 0 40 DFAB CCSc1ccc(NC(=O)NCc2cc(CC)n[nH]2)cn1 79028717 DGRWWIDBXWDZBK-UHFFFAOYSA-N 305.407 2.801 0 40 DFAB Cn1cccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 184236763 XCRIFBUSTZOOPS-BPUTZDHNSA-N 319.449 2.760 0 40 DFAB Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCCC1 30754520 WWPCVZINOZVHET-INIZCTEOSA-N 304.434 2.755 0 40 DFAB CCCN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCNC1 566100288 UWOFHHNWCSTPOJ-HNNXBMFYSA-N 302.418 2.690 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224637392 VYPSBFZZEMGSQK-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1 75170286 ZRENEWMEKRAJHO-FMQWLBJXSA-N 323.458 2.826 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CC[C@@H](c2cccnc2)C1 573975468 RNZHTPPFCLTASP-GDBMZVCRSA-N 300.333 2.836 0 40 DFAB CCc1nnc(NC(=O)NCc2c(CC)noc2CC)s1 88336230 DPPNIPNOQXMHRT-UHFFFAOYSA-N 309.395 2.535 0 40 DFAB c1coc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 96206608 RMXXPGGLNVTDMI-HNNXBMFYSA-N 301.390 2.535 0 40 DFAB Nc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12 142165209 URQJAVHOSLJTRT-UHFFFAOYSA-N 302.337 2.683 0 40 DFAB O=C(NCCc1nnc(-c2ccccc2)o1)[C@@H]1C[C@H]1c1ccco1 96450014 HZKJNIVPSUHYTO-ZIAGYGMSSA-N 323.352 2.792 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N[C@@H]1CCN(C(C)C)C1=O 97095203 GFZZPBASZVQXHA-GFCCVEGCSA-N 309.797 2.779 0 40 DFAB O=C(NC[C@@H]1CCCS1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 96484439 TWPLVHVMIHZSEW-DGAVXFQQSA-N 310.463 2.529 0 40 DFAB Cc1c(NC(=O)NCCc2cnn(C)c2)cccc1OC(F)F 96403206 CUFYPRSEFAUDQG-UHFFFAOYSA-N 324.331 2.694 0 40 DFAB O=C(c1ccc[nH]1)N1CCC2(CC1)OCCNc1ccccc12 96243956 DJFXZXZNGUOJAG-UHFFFAOYSA-N 311.385 2.588 0 40 DFAB O=C(OCCCn1cccn1)[C@@H]1SCCc2ccccc21 96442042 YZWKERGYUFVHMX-OAHLLOKOSA-N 302.399 2.847 0 40 DFAB COc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)cc1 96057888 CCRUYDYTQSVQSN-IPMKNSEASA-N 317.429 2.854 0 40 DFAB Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 97953769 UJOWCVZRPZQNFK-HRCADAONSA-N 318.348 2.625 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@@](C)(O)c1cccs1 96417676 FPSPTFXNECWLNJ-CQSZACIVSA-N 310.444 2.825 0 40 DFAB COC(=O)c1cc(NC(=O)C2CC2)c(Br)cc1F 96423114 YJTXSSURVSTBNH-UHFFFAOYSA-N 316.126 2.723 0 40 DFAB CC[C@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 253577187 WTNJGOZLMGQCDK-NHYWBVRUSA-N 322.355 2.861 0 40 DFAB O=C(c1cccc2ncccc12)N1CCO[C@H](c2ccncc2)C1 257221089 DNKMGFPXAONNKD-SFHVURJKSA-N 319.364 2.844 0 40 DFAB CS(=O)(=O)c1ccc(CN2CCCC[C@H]2c2ccn[nH]2)cc1 257281878 ORIGITCQJKVDKR-INIZCTEOSA-N 319.430 2.540 0 40 DFAB O=C(NCc1ccnnc1)c1cncc(Cc2ccc(F)cc2)c1 257233852 GQZREMZHRZWECQ-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cncs2)ccn1 257294219 QTCBPITWXHICIJ-MRXNPFEDSA-N 316.430 2.511 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575406477 XNPBKAFNJNPTTE-LBPRGKRZSA-N 324.421 2.732 0 40 DFAB CCc1nc(O)sc1S(=O)(=O)Nc1cc(C)ccc1C 585140453 FGJUNHSPMKXJGF-UHFFFAOYSA-N 312.416 2.829 0 40 DFAB CCn1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1=O 47181509 UHKUHHPRNXWYEB-UHFFFAOYSA-N 320.732 2.503 0 40 DFAB CCc1nnsc1C(=O)N1CCCc2cc(OC)ccc21 48340025 HTRMYWPOOKEOPK-UHFFFAOYSA-N 303.387 2.702 0 40 DFAB Cc1nnc2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)cn12 58230484 UFTUTZOYPGYYPY-UHFFFAOYSA-N 324.369 2.742 0 40 DFAB FC(F)(F)Oc1ccc(CNCCNc2ncccn2)cc1 67255624 ZTTPAMRAHZKUPE-UHFFFAOYSA-N 312.295 2.577 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72282103 WBUHYLZFGMTYJV-OLZOCXBDSA-N 318.446 2.869 0 40 DFAB C[C@@H](Cc1ccsc1)N[C@H]1CCCN(c2cccnn2)C1 89732904 JLCFASKKDBTJMH-ZFWWWQNUSA-N 302.447 2.728 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](Nc3cnn(C)c3C)[C@H]2O)c1 1615114130 KNKJCMGOEQMPDX-CGTJXYLNSA-N 315.417 2.810 0 40 DFAB O=C(NCCc1nccs1)c1cnc2c(S)cccc2c1 1569989224 MYNGHZGMRXNEEH-UHFFFAOYSA-N 315.423 2.953 0 40 DFAB O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1c[nH]c2ccccc12 5350846 GBZUGFINYPXQDD-SFHVURJKSA-N 306.321 2.581 0 40 DFAB COc1ccccc1/C=C/C(=O)N1CC(=O)Nc2ccccc21 15912268 CBDHJVMMCKHZKV-ZHACJKMWSA-N 308.337 2.694 0 40 DFAB O=C(CCc1ccccc1F)N[C@@H]1CCN(c2nccs2)C1 206811548 IGENDPYDEUOLOS-CYBMUJFWSA-N 319.405 2.610 0 40 DFAB COc1ccc(C(=O)Nc2ccc3nc(NN)sc3c2)cc1 226310913 KYSHFLCKJQDGKW-UHFFFAOYSA-N 314.370 2.843 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)Nc1ccc(F)cc1 10608528 IVCXSXHNSLKSSQ-UHFFFAOYSA-N 318.356 2.639 0 40 DFAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCCCCC2)C1=O 16201867 IBNWNGMCPINXOT-CQSZACIVSA-N 316.401 2.593 0 40 DFAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCO2 23889579 CVNUFXKCGRAOST-UHFFFAOYSA-N 307.309 2.853 0 40 DFAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(O)CC1 33040068 CYGYBMVTFFRGHX-SECBINFHSA-N 317.216 2.777 0 40 DFAB O=C(CSCc1ccccc1)N1CC(Oc2cccnc2)C1 238839375 HMOGPRKBNISULI-UHFFFAOYSA-N 314.410 2.605 0 40 DFAB c1ccc(N2C[C@H]3CN(c4cc(C5CCC5)ncn4)C[C@H]3C2)nc1 2298049381 JVRLZQYPIPBUIC-IYBDPMFKSA-N 321.428 2.712 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C12CCC2 96423904 YPXJXZYCZFHGHJ-KGLIPLIRSA-N 305.422 2.716 0 40 DFAB CC1CCC(NC(=O)Cc2csc(NC(=O)C3CC3)n2)CC1 30551712 QYVBZWAUMPEVBC-UHFFFAOYSA-N 321.446 2.729 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)c1csc(Br)c1 31401112 AOXIPODHQCVFSG-MRVPVSSYSA-N 314.208 2.526 0 40 DFAB CC(=O)N1CCC(NC(=O)Nc2ccccc2C(C)C)CC1 40525704 GYLMZFFNJRLYQA-UHFFFAOYSA-N 303.406 2.942 0 40 DFAB O=C(Nc1cc(Cl)ccc1F)N1CC[C@H](N2CC=CC2)C1 101353587 LHYYOWULXFSPJJ-LBPRGKRZSA-N 309.772 2.957 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 20938655 YISJTXHDGQQVAV-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 75441 BWPWEGBBHGTHAI-UHFFFAOYSA-N 315.339 2.806 0 40 DFAB CCOC(=O)c1cnc(SCc2ccc(F)cc2)nc1N 259840 HFIVIQZMCVRYMU-UHFFFAOYSA-N 307.350 2.667 0 40 DFAB COc1ccc(Cl)cc1CN1CCC[C@@H](Cn2cncn2)C1 69878201 XINSEHWZESTLMG-CYBMUJFWSA-N 320.824 2.852 0 40 DFAB CC(C)c1noc(CCCNC(=O)N2CCc3ccccc32)n1 60330657 PUTITSBCWIAKNF-UHFFFAOYSA-N 314.389 2.898 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2 2653199 VPTQQVRSSDLGQD-UHFFFAOYSA-N 300.314 2.504 0 40 DFAB O=C([C@@H]1CCCC[C@H]1C(=O)N1CCCCC1)N1CCCCC1 1667661 INICLJIKGCHRBT-HZPDHXFCSA-N 306.450 2.818 0 40 DFAB CCONC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 32848342 DHTITQYNLUIIIX-UHFFFAOYSA-N 304.394 2.629 0 40 DFAB COc1ccc(NC(=O)CSc2nnc(C(C)C)o2)cc1 6633934 SKQMKGODLQHKIN-UHFFFAOYSA-N 307.375 2.932 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(O)c1 6747789 DJLQDWYWDMAVPS-KRWDZBQOSA-N 305.337 2.957 0 40 DFAB CN(C)[C@H](CNC(=O)c1cccc(OC(F)F)c1)c1ccco1 6859574 FRPXDHHBJVFJST-CYBMUJFWSA-N 324.327 2.914 0 40 DFAB Cc1ccccc1OCCC(=O)OCC(=O)NC1CCCCC1 8009078 ARDDTMYLQGAXQO-UHFFFAOYSA-N 319.401 2.756 0 40 DFAB O=C(NCc1cn2ccccc2n1)c1cc(Cl)ccc1O 22024430 SHNCJRSZOPEIJO-UHFFFAOYSA-N 301.733 2.623 0 40 DFAB CCOc1ccc(CN(C)S(=O)(=O)c2cccs2)cc1 57692474 XLZYYXYAQTTYAP-UHFFFAOYSA-N 311.428 2.968 0 40 DFAB Cc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1F 76057940 RCDCBDLDGOTEOA-SUMWQHHRSA-N 304.409 2.871 0 40 DFAB CC(C)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23108707 ITYFGXMNVRFIIK-CJNGLKHVSA-N 314.429 2.689 0 40 DFAB COc1cc(CNC(=O)c2cccnc2)ccc1OC(F)F 24076800 MHPLYCXDNFNPLT-UHFFFAOYSA-N 308.284 2.622 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2n1 101639401 XYRPFHDEFRNJCD-TUVASFSCSA-N 312.417 2.901 0 40 DFAB CCn1cnnc1-c1cccc(NC(=O)COc2ccccc2)c1 25287453 JCBOWDDVZWBRNW-UHFFFAOYSA-N 322.368 2.983 0 40 DFAB CC(C)Cc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1 1273387 FKOJYTKFWKEGQH-UHFFFAOYSA-N 324.450 2.514 0 40 DFAB CN(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 3220198 LVPBFHKLXOHNNB-UHFFFAOYSA-N 309.321 2.835 0 40 DFAB biogenic COc1ccc(OC)c([C@H]2CCCN2C(=O)c2csnn2)c1 56260470 NXKJWYWFIOFFHK-CYBMUJFWSA-N 319.386 2.533 0 40 DFAB Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc1 24987216 ANUVHSVSRGNHSC-CQSZACIVSA-N 309.369 2.920 0 40 DFAB CCN(C(=O)NCCCn1ccnc1C)[C@H](C)c1cccnc1 71909185 JOSYIHIWSVXMSU-CQSZACIVSA-N 315.421 2.769 0 40 DFAB CCCOc1ccc(C(=O)CCC(=O)Nc2cnn(C)c2)cc1 25305090 CXAXNMPKMHRBCT-UHFFFAOYSA-N 315.373 2.811 0 40 DFAB CCC(=O)NC(=S)Nc1c(Cl)ccc2nsnc12 21595707 IFXBNQZYSCDMJA-UHFFFAOYSA-N 300.796 2.568 0 40 DFAB COc1ccccc1/C=C/CNCCC(=O)NC1CCCC1 71924553 BJSBIEUZXGLYNE-SOFGYWHQSA-N 302.418 2.747 0 40 DFAB C[C@H]1COCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 27209893 ADOKIMDJHNEXDS-JKSUJKDBSA-N 324.424 2.876 0 40 DFAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccncc3)cnc12 10233969 QNFVXNOOHSSJHU-UHFFFAOYSA-N 322.368 2.519 0 40 DFAB Fc1ccc(F)c(CNCc2ccnc(-n3cccn3)c2)c1 58247639 MSYAWEACFOOIAI-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1C 12773490 UUGSLVUDEOEXDX-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CCCC1 29207237 IBFHOPRUKNJVGL-INIZCTEOSA-N 317.433 2.569 0 40 DFAB CCOC(=O)CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13329993 IFQBERFTJKVBOD-MRVPVSSYSA-N 319.188 2.917 0 40 DFAB CCOC(=O)c1nc(-c2ccc(CNC(C)=O)s2)cs1 49394213 LXEFAQMNXIXTJX-UHFFFAOYSA-N 310.400 2.684 0 40 DFAB CCCCCCOc1ccc(/C=C/C(=O)NCCO)cc1OC 62714574 DMVWNAMCMDCAOD-CSKARUKUSA-N 321.417 2.776 0 40 DFAB COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 4241696 HMAXDKCSXKNKKD-QWHCGFSZSA-N 321.373 2.730 0 40 DFAB Cc1cc2n(n1)C[C@H](CN[C@H]1CCCOc3ccccc31)CN2 65593734 UQSZEYPVTLGBLW-ZBFHGGJFSA-N 312.417 2.737 0 40 DFAB CCN(C)c1ccc(C(=O)NCCC2CCN(C)CC2)cc1 65612218 UMRQOYWSWVJVHP-UHFFFAOYSA-N 303.450 2.604 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1F 6509166 MFGWVLIBJJVSIG-UHFFFAOYSA-N 300.333 2.893 0 40 DFAB O=C(OCC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 5559249 XRKGNCOSOUZUER-UHFFFAOYSA-N 302.157 2.773 0 40 DFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H]1CCOC1=O 7416692 AWCNVPWJZQNBDQ-NSHDSACASA-N 321.329 2.730 0 40 DFAB CC(=O)c1ccc(OC(=O)c2ccccc2S(C)(=O)=O)cc1 7655874 MSMYXWZLTWMKQR-UHFFFAOYSA-N 318.350 2.512 0 40 DFAB CCNc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 9723103 GVUJECFXZFKEBV-UWVGGRQHSA-N 314.480 2.852 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C)s1 7886501 SEVHJBJUIIPWCG-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB CC(C)NC(=O)NCc1ccc(C(=O)NC2CCCC2)cc1 8076284 MFDVJGUJQNTVJR-UHFFFAOYSA-N 303.406 2.567 0 40 DFAB CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 8156570 BRCKCROPEVNVHS-UHFFFAOYSA-N 323.352 2.966 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@H]1Cn1nc(C)nc1C 69490318 KBQDSJFAEJJCJL-INIZCTEOSA-N 318.396 2.707 0 40 DFAB O=C1COc2cccc(OCc3ccc(-n4cccn4)cc3)c2N1 91597703 HDDIADOIHONUIW-UHFFFAOYSA-N 321.336 2.782 0 40 DFAB NC(=O)Cc1cc(Br)c(-c2ccc(N)cc2)s1 71790852 HRPRHTXGMDBWAI-UHFFFAOYSA-N 311.204 2.788 0 40 DFAB in-vitro COc1ccc([C@H](CO)NC(=O)Nc2cccc(F)c2)cc1 69529687 LOGBPELBJIJRBU-HNNXBMFYSA-N 304.321 2.689 0 40 DFAB Cc1noc2nc(C3CC3)cc(-c3nc([C@@H]4CCOC4)no3)c12 96462786 JVSLDDZVFYGHBM-SNVBAGLBSA-N 312.329 2.963 0 40 DFAB CCN1CCCN(C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 96482486 NHUBFXAGAYRVAF-CYBMUJFWSA-N 323.412 2.633 0 40 DFAB Clc1snnc1CSc1nc(-c2cccnc2)n[nH]1 69662584 CSNBPRBPZQOWKG-UHFFFAOYSA-N 310.795 2.664 0 40 DFAB O=C(CNC1(c2ccc(F)cc2)CCC1)NCc1ccco1 69776244 POYVGYPZKCVTFS-UHFFFAOYSA-N 302.349 2.704 0 40 DFAB O=C(/C=C/c1c(F)cccc1F)NC[C@@H]1CCN(C2CC2)C1 71889005 FWFZSFWLVDFMGP-SYTKJHMZSA-N 306.356 2.579 0 40 DFAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)[nH]c2c1 71866432 QZIGGDLBFXUDCP-OAHLLOKOSA-N 308.385 2.978 0 40 DFAB C[C@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@H](C)O1 71819381 CQQWAXUKLHUBJK-STQMWFEESA-N 304.415 2.847 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)NCC1(c2ccccc2)CC1 71853390 MKNVQYKTJQXWCH-MRXNPFEDSA-N 324.428 2.829 0 40 DFAB O=C(O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 110066234 WXOSJJCXTYSVDE-UHFFFAOYSA-N 318.336 2.944 0 40 DFAB c1ccc2c(c1)OC[C@H](c1nnc(SC[C@@H]3CCCO3)o1)O2 84583202 HXIPNJKTCBBIGE-GXFFZTMASA-N 320.370 2.853 0 40 DFAB Cc1ccc(OCc2nnc(-c3ccc(F)cc3)o2)c(CO)n1 95426074 APNHBTMOQFANGY-UHFFFAOYSA-N 315.304 2.650 0 40 DFAB CC1(NC(=O)Nc2nnc(-c3ccccc3)s2)CCOCC1 95442626 CAZANYMTWQLXPS-UHFFFAOYSA-N 318.402 2.896 0 40 DFAB CCCOc1ncccc1CNC(=O)c1ccc2cc[nH]c2n1 95467417 VPLJSEPBNSDYOY-UHFFFAOYSA-N 310.357 2.677 0 40 DFAB CN1CC[C@@H](Nc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 95409176 PQKKRSHWYYRUGJ-MRXNPFEDSA-N 309.369 2.582 0 40 DFAB CCOc1ccc(NC(=O)/C=C/c2cnc(C)s2)cc1CO 95447797 AACPAHKQCFCUKK-FNORWQNLSA-N 318.398 2.994 0 40 DFAB C[C@@H](O)C1CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)CC1 73817650 TVONPQBMKOFLCK-SECBINFHSA-N 306.387 2.723 0 40 DFAB Cn1cc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cn1 79511409 NCDYUCJCFRIHAF-HNNXBMFYSA-N 302.353 2.798 0 40 DFAB O=C(c1cccc(-n2cccc2)c1)N1CCC(n2ccnn2)CC1 95977862 UZZIGUQYFAMSEC-UHFFFAOYSA-N 321.384 2.546 0 40 DFAB O=S(=O)(Cc1c(F)cccc1F)NC[C@@H]1CC=CCC1 95980784 KYAURQGQKVIXAS-LLVKDONJSA-N 301.358 2.741 0 40 DFAB COc1cc(NC2CCN(Cc3ccon3)CC2)cc(OC)c1 85868457 MZBHTXZZDZUYOW-UHFFFAOYSA-N 317.389 2.768 0 40 DFAB CC(C)(O)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 75238350 LKPVWBITVYSAON-GOSISDBHSA-N 324.424 2.678 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@H](O)c2ccc(F)cc2F)no1 89718215 NKDOBFHDUIAUIX-KGLIPLIRSA-N 309.316 2.527 0 40 DFAB COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@@H](C)CO)c1 89901542 XUMZALGKQMNGRH-ZDUSSCGKSA-N 317.433 2.784 0 40 DFAB CC(=O)NCCCS[C@H]1CCCN(c2cccc(F)c2)C1=O 89962639 QMGMKQYCCLKTDO-HNNXBMFYSA-N 324.421 2.581 0 40 DFAB CCn1cncc1CNc1ncc(-c2ccc(OC)cc2)n1C 515405814 HXZZFTDYWQUNPV-UHFFFAOYSA-N 311.389 2.924 0 40 DFAB Cc1ccc(SC[C@H]2CSc3nnc(C)c(=O)n32)cc1 36625366 WEUIZGUAXQUMGI-NSHDSACASA-N 305.428 2.694 0 40 DFAB CCOc1ccccc1NC(=O)CCCNc1ncccn1 32926041 FVBVVSAATDGQCI-UHFFFAOYSA-N 300.362 2.706 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ncccc2O)s1 127504708 WEWJYICNNRPRJV-SNVBAGLBSA-N 305.403 2.948 0 40 DFAB C[C@H](NC1(CNC(=O)[C@@H]2C[C@@H]2C)CCOCC1)c1ccccc1 79096266 SYOBOMBPOZRWFH-YQQAZPJKSA-N 316.445 2.659 0 40 DFAB Nc1nnc(SCC(=O)Nc2ccc(C(F)F)cc2)s1 33784612 QOVFEHGJPIJZES-UHFFFAOYSA-N 316.358 2.789 0 40 DFAB CCCCNC(=S)Nc1ccc(N2C(=O)CCCC2=O)cc1 36846603 TXFIHYOOMRCNNY-UHFFFAOYSA-N 319.430 2.817 0 40 DFAB Cc1csc(NC(=O)c2coc(NC(=O)c3ccco3)n2)n1 62023039 DXXVCTSWNQNFDM-UHFFFAOYSA-N 318.314 2.537 0 40 DFAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCSCC1 48331727 WELKQKMPZGKDEY-UHFFFAOYSA-N 319.430 2.924 0 40 DFAB CCOc1ccc(-c2noc(CN(C)C(=O)C(C)C)n2)cc1 224800169 MDJLPKUAYYJCEF-UHFFFAOYSA-N 303.362 2.750 0 40 DFAB c1csc([C@@H](CN[C@@H]2CCCSC2)N2CCOCC2)c1 195558432 OMDXQGGUSCBCKJ-ZIAGYGMSSA-N 312.504 2.607 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCC 225007487 BPMYBYXXJSLKNS-CQSZACIVSA-N 320.433 2.739 0 40 DFAB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccc2c(c1)CCC2=O 529109484 KSZTYSUXGLEWOH-PIGZYNQJSA-N 300.358 2.505 0 40 DFAB CC[C@@H](C(=O)NC(C)(C)CCS(C)(=O)=O)c1ccccc1 193347068 CSDWFNTVABXHMD-CQSZACIVSA-N 311.447 2.510 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N(C[C@@H](C)C(=O)O)C1CC1 195551979 GMCJYDORAWGQHA-LLVKDONJSA-N 314.385 2.731 0 40 DFAB COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c[nH]nn2)cc1 96423932 GBALQBWXTYGDHJ-LBPRGKRZSA-N 322.368 2.971 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1(C)C 96418967 HQRYTLJSPBFKKC-HZPDHXFCSA-N 321.465 2.632 0 40 DFAB Cc1ccsc1CN1CCC2(CC[C@@H](C(=O)N(C)C)O2)CC1 96111119 BYJUANZBJDGJCD-AWEZNQCLSA-N 322.474 2.658 0 40 DFAB CCn1ccnc1S(=O)(=O)Cc1ccc(OC)cc1Cl 96459987 CZXWKDDGTWTUOH-UHFFFAOYSA-N 314.794 2.539 0 40 DFAB Cc1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(C)o1 96098960 ZXYNKQSNTLOSDN-UHFFFAOYSA-N 301.268 2.542 0 40 DFAB Cc1noc(C)c1C(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 96416223 GDNSIYLFHNTSKQ-ZDUSSCGKSA-N 314.341 2.501 0 40 DFAB Cc1nsc(N2CCN(c3nc4ccccc4s3)CC2)n1 266008510 MVTIRRCJBGVWLH-UHFFFAOYSA-N 317.443 2.783 0 40 DFAB OC[C@H](NCc1noc(C2CC2)n1)c1ccc(Cl)c(F)c1 97238441 FJFCJXGBJOULEV-LBPRGKRZSA-N 311.744 2.563 0 40 DFAB Cc1ccc(C)c([C@H](O)COc2cccc(S(C)(=O)=O)c2)c1 95439094 AGOIHPFDRSHTNX-QGZVFWFLSA-N 320.410 2.819 0 40 DFAB CC[C@](C)(NC(=O)[C@@H](C)c1cc2ccccc2o1)C(=O)OC 96451215 PPOGOCCCNLDKMO-GTNSWQLSSA-N 303.358 2.994 0 40 DFAB COc1ccc(C[C@H](C)N[C@@H]2CCCC[C@@H]2CO)cc1OC 96478097 LFESKTRHUIYSTA-NUEKZKHPSA-N 307.434 2.776 0 40 DFAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccco2)C3)c1 247919759 NLYHRTDIMUAOJH-HNNXBMFYSA-N 302.399 2.814 0 40 DFAB CNc1ncccc1CN1CC2(CO[C@@H](Cc3ccccc3)C2)C1 257328003 XDTDAVPXUALKSR-SFHVURJKSA-N 323.440 2.957 0 40 DFAB NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)s1 257225774 FHSZBVAZQGDXLR-GFCCVEGCSA-N 315.398 2.609 0 40 DFAB C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)[C@@H](c2ccccc2)CO1 608256911 QHLQHIYUVGQAOY-CXAGYDPISA-N 323.396 2.956 0 40 DFAB Cc1nn(C)cc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 257214226 CLCXENQMUUHJDP-OAHLLOKOSA-N 323.400 2.768 0 40 DFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1O 257338476 YXNTUPRUQPWOKO-GARXJVFOSA-N 319.401 2.926 0 40 DFAB COc1ccc([C@H](Cc2ccc(F)cc2)NS(C)(=O)=O)cc1 58194275 CREDAJZXVUWLBG-INIZCTEOSA-N 323.389 2.667 0 40 DFAB CCOC(=O)NCCC(=O)N(Cc1ccco1)C1CCCC1 58367268 NIGSUAPXUBQWQB-UHFFFAOYSA-N 308.378 2.687 0 40 DFAB O=C(c1cccc(F)c1)N1CCCN(CC(F)(F)F)CC1 58667855 JEGRXJYHVHWEGZ-UHFFFAOYSA-N 304.287 2.536 0 40 DFAB Cc1ccc(-c2cc(CN[C@@H]3CCc4nc(C)nn4C3)on2)cc1 69969378 IWRKYZONOFYPIM-OAHLLOKOSA-N 323.400 2.655 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](n2ccnc2)C1 70011761 UTRFCYSTSNDLGH-INIZCTEOSA-N 313.401 2.606 0 40 DFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)cc2)cc1 5217324 OJXOJMVBNSHRIU-INIZCTEOSA-N 313.353 2.949 0 40 DFAB biogenic CC(=O)NC(=S)Nc1ccc(Br)cc1Cl 14257756 YSHYKGGRDJOMEJ-UHFFFAOYSA-N 307.600 2.935 0 40 DFAB CNCc1cc(NC)nc([C@@H]2CCCN2CC2CCCCC2)n1 19760531 BHJLRXXQKALMJV-INIZCTEOSA-N 317.481 2.955 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(N)c1 21793191 BXOMEIYIWCZNBM-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB Cc1ccsc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 2638676 BLUINCNHXQTCGP-UHFFFAOYSA-N 306.412 2.958 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccccc1Cl 5120150 RNIRAFWGGFLVJK-NSHDSACASA-N 310.806 2.907 0 40 DFAB O=C([C@H]1CN(Cc2ccc(Cl)cc2)CCO1)N1CCCCC1 1888849763 GWFVADLTFHXJPY-MRXNPFEDSA-N 322.836 2.553 0 40 DFAB OC[C@H]1CCCN(c2ncc3cc(Br)ccc3n2)C1 1889099094 OZDRBIQBOMOOFY-JTQLQIEISA-N 322.206 2.601 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2ncnc3ccccc23)C1 1889160453 LSGCXZNVUVMLHE-AWEZNQCLSA-N 306.369 2.991 0 40 DFAB Cc1sc2ncn(C[C@@H](O)c3ccccc3)c(=O)c2c1C 29333030 KEBLMGKFDVGELS-CYBMUJFWSA-N 300.383 2.808 0 40 DFAB COC(=O)c1c(NC(=S)Nc2ccccc2)cc(C)n1C 2087106521 YGMWEKZBWLGJEY-UHFFFAOYSA-N 303.387 2.929 0 40 DFAB Cc1ncnc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)c1C 2087127141 UHRASKGGGGXRTB-AWEZNQCLSA-N 304.438 2.567 0 40 DFAB O=C(N1CC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1)C1(F)CCC1 1565547340 PXAFUGABZKVUON-WBVHZDCISA-N 318.392 2.751 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(C)cc1 10256268 MNBZFXWZWTZMII-MRXNPFEDSA-N 309.369 2.704 0 40 DFAB Cc1cc(OC2CN(C(=O)NCc3ccc(F)cc3)C2)ccn1 2298063525 QVQVFOZEUQZMGT-UHFFFAOYSA-N 315.348 2.502 0 40 DFAB COc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 20047334 VBUDZHVJFQXJQG-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB COC[C@H](C)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 30880737 RSCPFKSSGFYJGZ-JTQLQIEISA-N 308.378 2.643 0 40 DFAB O=C(NCC1(c2ccccc2)CCOCC1)NC1CCCC1 31101551 FJRPXDJFJVSFKY-UHFFFAOYSA-N 302.418 2.977 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCCCCC3)cc2)no1 40481482 WDEUPNDCCGLIDE-UHFFFAOYSA-N 315.373 2.973 0 40 DFAB O=C(O)CCc1cc(Br)c(O)c(Br)c1 165717 RYXMOITYFVDWIR-UHFFFAOYSA-N 323.968 2.934 0 40 DFAB in-vitro CC(C)COCCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 31756381 WHBLLOLPCYUONM-UHFFFAOYSA-N 318.417 2.924 0 40 DFAB Cn1c(C(=O)NC[C@@H](O)c2ccccc2)cc2sccc21 40786196 BDOMKUJDOFVYGS-CQSZACIVSA-N 300.383 2.703 0 40 DFAB O[C@@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 20828008 AMSLSGRRPQDLLZ-MSOLQXFVSA-N 301.361 2.933 0 40 DFAB CCC[C@H]1NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O 46027220 GVFFSZUUQZKREK-CYBMUJFWSA-N 301.321 2.594 0 40 DFAB Cc1ccc(C2=NN(C(=O)C3CC3)[C@](O)(C(F)(F)F)C2)cc1 280442 GEEWESRAESHHTM-CQSZACIVSA-N 312.291 2.592 0 40 DFAB CN(C(=O)c1cnccn1)[C@H](c1cccc(F)c1)c1ccccn1 69811755 IHYMHSZHIPKSJI-QGZVFWFLSA-N 322.343 2.872 0 40 DFAB CCc1nnc2sc(-c3cc(F)c(F)c(F)c3F)nn12 385466 CCIGMFBCHJVQAP-UHFFFAOYSA-N 302.256 2.972 0 40 DFAB CC[C@H](C(=O)O)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 339183 ACOZFLJTXDENNX-WCBMZHEXSA-N 306.387 2.619 0 40 DFAB COc1ccc2c(=O)c(O)c(-c3ccc(C(=O)O)cc3)oc2c1 41195139 ZWZKLORAHHDUEG-UHFFFAOYSA-N 312.277 2.872 0 40 DFAB COc1cccc2c1N(CC(=O)NCc1cccs1)CCC2 32825427 UOXRUWRQLXTNNX-UHFFFAOYSA-N 316.426 2.826 0 40 DFAB COc1cccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 69952224 GRTGGYBRPPOSSC-QGZVFWFLSA-N 314.433 2.816 0 40 DFAB C(CCCCCN1CCOCC1)CCCCN1CCOCC1 4411110 URFLRHXRNHMJAF-UHFFFAOYSA-N 312.498 2.772 0 40 DFAB O=c1[nH]c(O)nc2nc(SCc3cccc(F)c3)sc12 4987575 JCIFIZNKZPLDOU-UHFFFAOYSA-N 309.347 2.517 0 40 DFAB CC(C)(C)C(=O)Nc1cccc(N[C@H]2CCCCNC2=O)c1 32907833 YUTWHMIHLOEMAC-AWEZNQCLSA-N 303.406 2.752 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)Nc1cnn(C(C)C)c1 78988609 ULBFUHXYDWBBGK-UHFFFAOYSA-N 304.398 2.638 0 40 DFAB Cc1ccccc1NC(=O)Cn1c(C)nc2ccccc2c1=O 416158 XIHIDEAEILWYLB-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OC 8253657 ZGNHBAHBUICEKA-UHFFFAOYSA-N 300.830 2.789 0 40 DFAB Oc1c([C@@H](c2ccccc2)N2CCCC2)sc2ncnn12 41637753 VEDCBOJVTWRIIL-GFCCVEGCSA-N 300.387 2.682 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 57355970 QQRBDJGOXBLVCZ-RDJZCZTQSA-N 302.418 2.677 0 40 DFAB O=C(NCCc1cn2ccccc2n1)[C@H]1C[C@@H]1c1ccc(F)cc1 23320234 ZLFRVAYAWBORAS-SJORKVTESA-N 323.371 2.936 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cn1C 24661404 LNYKZIWRIAFTCB-LBPRGKRZSA-N 320.776 2.591 0 40 DFAB Cc1ccsc1C(=O)NC[C@H](Cc1ccccc1)N(C)C 22682044 LUASFMPQWFFGPO-HNNXBMFYSA-N 302.443 2.959 0 40 DFAB CN(C(=O)NCc1ccncc1)[C@H]1CCCN(c2ccccc2)C1 72286369 IZLSCUOONAEIOZ-SFHVURJKSA-N 324.428 2.892 0 40 DFAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 25253110 CINSPJCBQFJDHX-ZDUSSCGKSA-N 324.359 2.957 0 40 DFAB CNC(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1 25565206 SXCNVONNTFLHEY-UHFFFAOYSA-N 319.364 2.524 0 40 DFAB O=C(c1csc2ccccc12)N1CCN(c2cnccn2)CC1 25834877 IHCQCGBNWFHGMH-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB CN(C)[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 35153466 OPWDKAORORFJRA-SNVBAGLBSA-N 313.587 2.813 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 108322472 NOYYZWVDOCFRHM-CYBMUJFWSA-N 301.390 2.984 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1csc(C2CC2)n1 76057954 WHUQQZABAYKQJN-ABAIWWIYSA-N 319.474 2.757 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 58159325 CJEGRFVGHSKPCU-HIFRSBDPSA-N 304.459 2.661 0 40 DFAB C[C@H]1[C@@H](C)SCCN1C(=O)Nc1ccc(C(F)(F)F)nn1 97164559 LFMKXZKGVIKIFV-JGVFFNPUSA-N 320.340 2.853 0 40 DFAB COc1ccc(CC(=O)NC(=S)N(C)c2ccccc2)cc1 2136265 AVLSIPMMSOLGLB-UHFFFAOYSA-N 314.410 2.775 0 40 DFAB Cc1c(CN2CCN([C@H](C)c3ccsc3)CC2)cnn1C 97142284 OPJWLLXPGKHSIW-CQSZACIVSA-N 304.463 2.669 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@@H]1CNc2ccnn2C1 58344812 YQBFNYNHQQJNHE-UONOGXRCSA-N 300.406 2.593 0 40 DFAB C[C@H](C(=O)NC1CCCC1)n1c(S)nnc1-c1cccs1 58418255 WWHVQYOZGLUGFC-SECBINFHSA-N 322.459 2.915 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 58405316 WVKFLIZZYBWUEQ-FZMZJTMJSA-N 302.422 2.801 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(C)cc2)C1 48262956 UQODQLNCJAPXMH-OAHLLOKOSA-N 319.401 2.566 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCOc1ccccc1F 12773306 GXMKXPQWGHDIKV-ZBFHGGJFSA-N 322.424 2.831 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1F 9691760 FUYOPBVUVQQUKQ-UHFFFAOYSA-N 304.296 2.642 0 40 DFAB CCOc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1C 13566177 IARPBHPZODYRTD-UHFFFAOYSA-N 308.403 2.698 0 40 DFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C(C)(C)C)C1=O 8891648 KQEPIYHZISECDP-QGZVFWFLSA-N 320.364 2.598 0 40 DFAB CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 6316197 SFCMPDWYVUDJGU-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2c1ccc(F)cc1 97105494 ZETJHKXPIRUGQA-HNNXBMFYSA-N 308.316 2.725 0 40 DFAB CN(C)C(=O)CNc1ccccc1N1CCc2ccccc2C1 65515273 CDCZQPAMXJJHOD-UHFFFAOYSA-N 309.413 2.749 0 40 DFAB Cc1ccccc1/C=C/c1nn(CN2CCOCC2)c(=S)[nH]1 14138151 OQKMTBIHOJYYDF-VOTSOKGWSA-N 316.430 2.709 0 40 DFAB O=C(c1ccccc1)c1ccc(Oc2ccc3nnnn3n2)cc1 14110399 NXTQGUCGBVQSQU-UHFFFAOYSA-N 317.308 2.543 0 40 DFAB Cc1cccc([C@@H]2CCCN2CCn2c(=O)oc3cccnc32)n1 93190899 UDTZGLDGKUYDLV-HNNXBMFYSA-N 324.384 2.530 0 40 DFAB NC(=O)N[C@@H](CC(=O)NC1CCCCC1)c1ccccc1Cl 7063329 UKCJRKWFIXTABP-AWEZNQCLSA-N 323.824 2.888 0 40 DFAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCCS2(=O)=O)cc1 96011659 SKGSOMYKDJGXLX-CQSZACIVSA-N 309.431 2.890 0 40 DFAB C[C@@H](O)[C@@H]1CCN(C(=O)Nc2cccnc2-c2ccco2)C1 96010630 LLOHPDASUVCGJP-VXGBXAGGSA-N 301.346 2.576 0 40 DFAB CC(C)n1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 179266536 GYJDJPYJENXKIZ-CVEARBPZSA-N 309.479 2.951 0 40 DFAB CN(C)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)n1 96006488 DOPBXADMIVDLKA-UHFFFAOYSA-N 324.428 2.996 0 40 DFAB O[C@@]1(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CCOC1 90850178 LVXOSLHWNIUOQS-ZWKOTPCHSA-N 301.361 2.656 0 40 DFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCCCCC1 8181519 QGPLUYZBGMZDRG-AWEZNQCLSA-N 304.415 2.892 0 40 DFAB CCCN1CC[C@@H](CNC(=O)Nc2ccc(OCC)cc2)C1 97257898 KBWAZJIRIFDYNW-AWEZNQCLSA-N 305.422 2.939 0 40 DFAB C[C@H](N)[C@@H]1CCCN(C(=O)c2sccc2Br)C1 70172411 LKGRFMQKLRWVLH-DTWKUNHWSA-N 317.252 2.710 0 40 DFAB c1cc(CN2CC[C@H](CN3CCCCC3)C2)c2c(c1)OCO2 93683505 PTOARQZVARYBGL-OAHLLOKOSA-N 302.418 2.723 0 40 DFAB Cc1cc(C)nc(NC(=O)N[C@@H](C)c2nnc3ccccn23)c1 97378646 GLXVRGIZPZUJFH-LBPRGKRZSA-N 310.361 2.624 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)o1 9495588 JNJLXFXISNYMIC-JTQLQIEISA-N 300.314 2.868 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)o1 71792999 JMDXFTQXARGKMQ-BYSCNOHMSA-N 316.401 2.530 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N2CCSCC2)cc1F 71879921 WTJUTHLLJSMRCM-UHFFFAOYSA-N 312.410 2.871 0 40 DFAB CC(C)(CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1 71896527 JXFGJEUMIRRDGU-IYBDPMFKSA-N 318.461 2.958 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 71817153 HCGRSLAOCRQCIM-GFCCVEGCSA-N 305.403 2.778 0 40 DFAB O=C(CN(Cc1cccc(O)c1)C1CC1)N1CCCCCC1 71897172 DMXKMJJBFJLTOA-UHFFFAOYSA-N 302.418 2.759 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)CO[C@@H]1CCCC[C@H]1C 71903404 IMHXHAPNCZEKHA-CZUORRHYSA-N 318.417 2.509 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2nc3ccccc3s2)C1 95956878 GDDZXIWVJSRGOO-WSKFYRRCSA-N 316.382 2.633 0 40 DFAB CCn1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cn1 95988567 AOJFQLGWZIHXED-HOTGVXAUSA-N 307.344 2.801 0 40 DFAB Cc1cccc(CNC2CCN(C(=O)OCC(C)C)CC2)n1 89140578 LSZFIDWMHGTVKK-UHFFFAOYSA-N 305.422 2.737 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 89410468 ZGTVOTLSJJCTGE-OLZOCXBDSA-N 316.323 2.605 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1CC(=O)NCc1ccccc1 75107711 NYCGJDKIHAXZKA-INIZCTEOSA-N 323.440 2.643 0 40 DFAB Cc1ccc(N2CCC[C@@H]2COC(=O)c2ccsc2)nn1 89652327 ZGPNJTIOUDVIPR-CYBMUJFWSA-N 303.387 2.672 0 40 DFAB Cc1ccc(-c2ccc(=O)n(CC3(O)CCCCC3)n2)s1 89657301 JICDFUAKQVTRFA-UHFFFAOYSA-N 304.415 2.975 0 40 DFAB Fc1ccc(Cc2noc(N[C@H]3CCO[C@@H]3C3CC3)n2)cc1 89787953 ZIMQYPGTJCKVNG-DZGCQCFKSA-N 303.337 2.779 0 40 DFAB O=C(CCc1cccc(Cl)c1)Nc1c[nH]nc1[C@@H]1CCNC1 1549741213 AGBBOXWEWQEDKA-GFCCVEGCSA-N 318.808 2.711 0 40 DFAB CCCCc1ccc(-n2c(=S)[nH]cc(C(=O)O)c2=O)cc1 20156317 GVVVJPOLZSEWEL-UHFFFAOYSA-N 304.371 2.936 0 40 DFAB Cn1cc(C(=O)N2CC[C@@H](Cc3cncc4ccccc34)C2)cn1 72368574 ANOPDDRONHNTJI-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB O=C1CCCN1[C@H]1CCCN(c2ccnc3cc(F)ccc23)C1 79097109 IXJIOHFBQXCMCZ-AWEZNQCLSA-N 313.376 2.965 0 40 DFAB Cc1nnc(NC[C@@H](c2ccccc2Cl)N2CCCC2)o1 561105016 IKRMQAUMVGOQHT-AWEZNQCLSA-N 306.797 3.280 0 40 DFAB OCCN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359287 AENDGNZKYDMGKB-AWEZNQCLSA-N 317.820 2.969 0 40 DFAB Cc1cc(O)nc(-n2nc(-c3ccc(Cl)cc3)cc2N)n1 85398319 UBZMTVNIZDGKSW-UHFFFAOYSA-N 301.737 2.579 0 40 DFAB CCOC(=O)Cn1c(C)cc(=O)c2ccc(C(F)(F)F)cc21 40164051 FDNBGMOITFCCKB-UHFFFAOYSA-N 313.275 2.892 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(-n2ccnc2)nc1 43689583 LYRYEJGHNASYQN-MRXNPFEDSA-N 304.353 2.685 0 40 DFAB Cc1ccc(CNC(=O)Nc2cnn(C)c2)c(OCC2CC2)c1 88348590 HNSVNMOEERLFKZ-UHFFFAOYSA-N 314.389 2.839 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](OCC(C)C)C2)C1 195538979 GBDFDXRCBSMFOU-MGPQQGTHSA-N 300.468 2.727 0 40 DFAB CC(C)N1CCC[C@@H](SCC(=O)Nc2ccccc2)C1=O 225690869 CZOJIRBSUNAPOP-CQSZACIVSA-N 306.431 2.758 0 40 DFAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CO2 96221906 DDXLBWKYXBZVCO-MRXNPFEDSA-N 323.458 2.765 0 40 DFAB c1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)nc1 96057006 OUSDVTDCLSEYJO-RBUKOAKNSA-N 316.445 2.879 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)CC(=O)N2C)cc1 96181321 PVWPNCLPHDEWJJ-YXJHDRRASA-N 314.429 2.915 0 40 DFAB CSC1(CNC(=O)/C=C/c2ccc(F)cc2)CCOCC1 96425618 AHLCXTCQGPIYQQ-QPJJXVBHSA-N 309.406 2.867 0 40 DFAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 519772777 LSWUCAIMDHMJFO-IUODEOHRSA-N 307.365 2.860 0 40 DFAB CC(C)COC[C@@H](C)NC(=O)c1c(C(C)C)nn(C)c1Cl 96422326 VXSAAQCTZFVFIW-LLVKDONJSA-N 315.845 2.988 0 40 DFAB CC(C)C(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 96404771 OSFBLEHQCIVLOV-MSOLQXFVSA-N 324.424 2.832 0 40 DFAB Cc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 142562709 RFTFRZVKSZCTNM-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB COc1ncnc2c1CN(Cc1cnc(C(C)(C)C)s1)CC2 92808140 IOGCJSAINSCZKZ-UHFFFAOYSA-N 318.446 2.798 0 40 DFAB CN(C)C(=O)CNC(=O)c1ccc(Oc2ccccc2Cl)o1 96183827 KAPOKNUDCLDMQH-UHFFFAOYSA-N 322.748 2.543 0 40 DFAB Cc1ccc(NC(=O)CC[C@@H]2CCCO2)c(OCCN(C)C)c1 96414020 BPSHRGNEPDWJNC-HNNXBMFYSA-N 320.433 2.833 0 40 DFAB CC(C)(C)c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2F)no1 96437382 LMEKCFIDMKNOAZ-GFCCVEGCSA-N 324.327 2.714 0 40 DFAB CC(=O)N1C[C@H](C)CN(C(=O)c2cscn2)c2ccccc21 96432633 WUUZEVZVIWFLOW-NSHDSACASA-N 315.398 2.793 0 40 DFAB Cc1cc(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)c(C)o1 96415526 IVOHFVCLHRFJBK-VIFPVBQESA-N 305.378 2.932 0 40 DFAB COC[C@H]1COCCC12CCN(CCc1ccccc1)CC2 96106305 VDBYZIQXRIYXCJ-SFHVURJKSA-N 303.446 2.994 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccccc1C 96521407 KKMKPKCDIAFWHZ-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB CO[C@H]1CSC2(C1)CN(C(=O)c1ccc3ncccc3c1)C2 247836747 JIPUMUQQAGRABF-CQSZACIVSA-N 314.410 2.581 0 40 DFAB O=C(O)c1c(NCc2ccc(F)s2)cnn1CC(F)F 256049866 BUGVOVWASBFAFX-UHFFFAOYSA-N 305.281 2.659 0 40 DFAB Cc1cn[nH]c1[C@H]1COCCN1Cc1ccnc2ccccc12 257316169 VEKVIRYHUVKLNK-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB CCSCCCNC(=O)Nc1cccc(N(C)C(C)=O)c1 282430252 FIBOZNJECQZANE-UHFFFAOYSA-N 309.435 2.934 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCCN1c1nc2ccccc2o1 96122571 JESGYOXSDZINLI-CQSZACIVSA-N 308.341 2.830 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575607120 XNYINVWZXONGFT-LLVKDONJSA-N 322.365 2.753 0 40 DFAB CCOc1ccccc1C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C 69350719 OMRPJUXIJIYEJZ-GTJPDFRWSA-N 311.447 2.637 0 40 DFAB CNC(=O)c1cc(C)ccc1NCc1cn2cc(C)ccc2n1 95414881 UELHTRKSFCLRHA-UHFFFAOYSA-N 308.385 2.923 0 40 DFAB CCc1nc(CC(=O)Nc2cccc(CC(=O)O)c2)cs1 95971407 NOUDQHGAKOWXIZ-UHFFFAOYSA-N 304.371 2.514 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2ccccn2)cs1 1615189204 FTXANVJGKCIZOJ-AWEZNQCLSA-N 302.403 2.834 0 40 DFAB O=C1NCC2(CC=CCCOc3ccccc31)CCNCC2 1615525906 HKUVSDBCUPCOGA-UHFFFAOYSA-N 300.402 2.515 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccco1 1531862456 DBGQQLPJLRLZRS-GFCCVEGCSA-N 318.354 2.884 0 40 DFAB CCCCSc1nnc(-c2cccs2)n1CCC(N)=O 12799324 PJGNWUSCGUWYME-UHFFFAOYSA-N 310.448 2.774 0 40 DFAB CCc1cc2c(N3CC(Cn4cc(C)cn4)C3)ncnc2s1 1889139887 YXSTWCBTWYBYJM-UHFFFAOYSA-N 313.430 2.895 0 40 DFAB CC(C)(C)CC(=O)NCc1ccc(CN2CCOCC2)cc1 18217513 NPAPHSWPDKGDIQ-UHFFFAOYSA-N 304.434 2.571 0 40 DFAB C[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@H](C)O1 69420720 XPGJWEADVIKLOQ-MJVIPROJSA-N 314.223 2.592 0 40 DFAB CN1C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2C1=O 4263798 HUBQZRQZUIXNQE-UHFFFAOYSA-N 314.728 2.818 0 40 DFAB COc1ccccc1-c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)no1 40512443 OMXADFISZWKXSQ-RYUDHWBXSA-N 316.357 2.600 0 40 DFAB CN(C)S(=O)(=O)c1ccc(COc2cccc(Cl)c2)o1 40116325 BFXARIVYHCHQHJ-UHFFFAOYSA-N 315.778 2.762 0 40 DFAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1 31402703 GYWCCQNKEKUOIG-HNNXBMFYSA-N 314.433 2.543 0 40 DFAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)nc1 31766106 WBQKIOXPJITUHX-UHFFFAOYSA-N 321.789 2.537 0 40 DFAB CCCNC(=O)Nc1ccc(N2CCCCC2)c2nonc12 20535449 RZRPPFIGIDIPFS-UHFFFAOYSA-N 303.366 2.745 0 40 DFAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N(C)Cc1ccccc1 29463698 WZPMXWVZNRGSHU-VUSFMPOISA-N 322.408 2.863 0 40 DFAB Cc1ccc(CC(=O)Nc2ccn(Cc3ccccn3)n2)s1 60307928 QSWJBVQUARPMDH-UHFFFAOYSA-N 312.398 2.878 0 40 DFAB Cc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)o1 356163 TUEPACOBNCHEAH-TVQRCGJNSA-N 316.279 2.841 0 40 DFAB CC(=O)Nc1cccc(Nc2nnc(SCCCO)s2)c1 32778997 MKXRQFRWHNVTQS-UHFFFAOYSA-N 324.431 2.715 0 40 DFAB COCCC(C)(C)CNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 102201687 YUJARPLJGABREX-HRCADAONSA-N 302.418 2.687 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)n1 41123261 POUXNMUONXOIBT-CQSZACIVSA-N 319.336 2.650 0 40 DFAB CC(=O)c1cn([C@H](C)C(=O)NC[C@H]2CCCO2)c2ccccc12 6957490 CYTWFSKYADGCEP-TZMCWYRMSA-N 314.385 2.700 0 40 DFAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccn1C 7602000 KMXVTKKKSGZNEO-UHFFFAOYSA-N 315.402 2.698 0 40 DFAB CCn1nc(C)c(NC(=O)Cn2nc(C(F)F)cc2C)c1C 2782192 AFOSPJIVDAPSAK-UHFFFAOYSA-N 311.336 2.601 0 40 DFAB CC(C)(C)[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(N)=O 87350423 FRMGQXVIQUQQNM-UYSNPLJNSA-N 316.445 2.977 0 40 DFAB COn1c(SCCc2ccccc2)nc2ccccc2c1=O 528238 YUDVLGMRHRVLBY-UHFFFAOYSA-N 312.394 2.790 0 40 DFAB Cc1cc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c(C)[nH]1 22416918 GHBRWXZKXRPPBA-UHFFFAOYSA-N 302.359 2.985 0 40 DFAB COc1cccc(CC(=O)NCCCc2nc3ccccc3[nH]2)c1 22488099 JOSDZKFTDQOSQD-UHFFFAOYSA-N 323.396 2.863 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccncc2)no1 22882975 VLSCJTJTCSBTCG-AWEZNQCLSA-N 314.389 2.855 0 40 DFAB CC1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 54070070 OMAFHXIBGKMDJT-AWEZNQCLSA-N 313.405 2.770 0 40 DFAB c1coc(-c2nc(CSc3nnc4n3CCCCC4)no2)c1 23028961 ZGBDRYCUBIUJAG-UHFFFAOYSA-N 317.374 2.940 0 40 DFAB CCOc1cc(C)ccc1NC(=O)N(C)Cc1cnn(C)c1 47764239 RISAGNIWQBOFOT-UHFFFAOYSA-N 302.378 2.791 0 40 DFAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 3186669 ZUZRRPADJRWWIE-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1 23709729 HMRKDKFWNGIWND-UHFFFAOYSA-N 307.353 2.832 0 40 DFAB Ic1ccccc1OC[C@H]1CCCNC1 42782912 FWNKIFYECTXCAR-JTQLQIEISA-N 317.170 2.670 0 40 DFAB O=C(Nc1ccccn1)C1CCN(C(=O)Nc2ccccc2)CC1 12528469 MACUZZAMAQZHRF-UHFFFAOYSA-N 324.384 2.964 0 40 DFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(C)n1C 24595650 FHJWXLUVZLFEFC-UHFFFAOYSA-N 313.401 2.661 0 40 DFAB Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 12523119 CXZTZDVINNVKQE-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB CC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321117 WFGCFWRGYKEMQQ-SNVBAGLBSA-N 319.430 2.593 0 40 DFAB Cn1ccc2c(C(=O)OCCCn3ccccc3=O)cccc21 76020533 OCYUTNGJDZEWCL-UHFFFAOYSA-N 310.353 2.587 0 40 DFAB Cc1cnc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 55944250 OAZXPPPXAJSJCU-CVEARBPZSA-N 315.348 2.574 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 25513758 YODDETLIUYHYCD-HNNXBMFYSA-N 312.369 2.543 0 40 DFAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCCC2)c1 12607767 DCGCHLIVEYBUSM-UHFFFAOYSA-N 315.417 2.905 0 40 DFAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccccc2F)C1 56502913 LWRLNZCDKICOAT-ZIAGYGMSSA-N 307.413 2.745 0 40 DFAB CCN(CC)CCOc1ccc(NC(=O)c2cc(C)n[nH]2)cc1 54725047 CETFZQBMUAEVQI-UHFFFAOYSA-N 316.405 2.691 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(C)c1 57472053 FAHQVUDMFDKIGU-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1C 3386263 BLCOXMQNDZJMLN-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB Cc1nc(N2CCC[C@H]2C(=O)O)c2c3c(sc2n1)CCCC3 57630954 XIQPHNSQXKNNBW-NSHDSACASA-N 317.414 2.932 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)s1 3339406 SJQZOPNRTGZAGR-SECBINFHSA-N 305.428 2.916 0 40 DFAB CCOCCNC(=O)c1ccc(Sc2ccccn2)cc1 58392476 XAYBFJBHZOZURH-UHFFFAOYSA-N 302.399 2.999 0 40 DFAB Cc1cc(C(=O)NC[C@H]2CCCOC2)c(C)n1Cc1ccco1 58429259 HYGQPMWPZUHXSO-OAHLLOKOSA-N 316.401 2.903 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2F)no1 22965058 RNKFUIULULSIIT-SNVBAGLBSA-N 309.316 2.720 0 40 DFAB O=C1NCCN(C(=O)c2cccs2)[C@@H]1c1ccccc1Cl 62689395 CTNJDZUXUFNPEI-CYBMUJFWSA-N 320.801 2.715 0 40 DFAB Cc1ccc(NC(=O)CS(=O)(=O)c2cccs2)cc1F 11666467 XYSCDSNWZRRFHZ-UHFFFAOYSA-N 313.375 2.608 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC 12800161 AMHMFUIOJLYKDG-PBHICJAKSA-N 318.417 2.521 0 40 DFAB Cc1ccc(C)c(OCCN2C(=O)NC3(CCCCC3)C2=O)c1 8708716 FBHNWWFMNQCKTI-UHFFFAOYSA-N 316.401 2.937 0 40 DFAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc(N2CCNC2=O)cc1 72281738 GLHRRPUQSVZNNO-UHFFFAOYSA-N 320.352 2.950 0 40 DFAB O=C(O)c1cccc(NC(=O)c2cc3ccccc3c(=O)o2)c1 8879410 ZXFQOTPXLNMLJJ-UHFFFAOYSA-N 309.277 2.744 0 40 DFAB biogenic C[C@](O)(CNc1ncc(Br)cn1)c1ccccc1 71907735 BYEZMUWGLZELAD-ZDUSSCGKSA-N 308.179 2.559 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](CC)Oc2ccccc2)C1 6168124 NKUKAAGSKZZRLP-HOCLYGCPSA-N 319.401 2.646 0 40 DFAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc[nH]2)N3)C1 6205605 CXNQFDTXKXCKDG-ZDUSSCGKSA-N 302.403 2.883 0 40 DFAB CCn1cc(C2CCN(C[C@@H](O)c3cccc(F)c3)CC2)cn1 65466039 MCBZTDGDKPIURK-GOSISDBHSA-N 317.408 2.955 0 40 DFAB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NCc1ccco1 4563580 YHBQCEGLSCJLRO-NSHDSACASA-N 313.309 2.888 0 40 DFAB O=C(NCc1ccco1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505011 WGLYPIWNXBNHHH-CQSZACIVSA-N 304.733 2.742 0 40 DFAB Cc1noc(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)n1 66716437 ILVQWYFSFBOYDI-VXGBXAGGSA-N 305.403 2.600 0 40 DFAB O=C(Cn1cncn1)Nc1c(Cl)cc(Cl)cc1Cl 5937989 KKYCDAJEMXTQDF-UHFFFAOYSA-N 305.552 2.877 0 40 DFAB Cc1ccc(S(=O)(=O)n2nnc3cc(Cl)ccc32)cc1C 5942623 PXDBRGQAQMJTSX-UHFFFAOYSA-N 321.789 2.939 0 40 DFAB C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2ccccc2)o1 93384217 SDZWBOSEFHZFMO-ZDUSSCGKSA-N 307.415 2.812 0 40 DFAB O=C(Nc1nc(-c2ccncc2)ns1)c1ccncc1Cl 96009974 RVKKUQVHHMIKKM-UHFFFAOYSA-N 317.761 2.901 0 40 DFAB CC(C)NC(=S)NNc1ncc(C(F)(F)F)cc1Cl 7781972 LFGWXHZKSBAXAM-UHFFFAOYSA-N 312.748 2.953 0 40 DFAB COc1ccc(F)cc1-c1csc(N2CCN(C)CC2)n1 7845141 CFSHLMRZXGJIJN-UHFFFAOYSA-N 307.394 2.710 0 40 DFAB Cc1ccn2ncc(C(=O)N3CC[C@H](c4ccccc4C)C3)c2n1 68675795 VPWQYOHUJWSVNZ-HNNXBMFYSA-N 320.396 2.976 0 40 DFAB O=C(NOCc1ccccc1)c1cncc(Br)c1 8096676 QQTZGJVDSRJMNK-UHFFFAOYSA-N 307.147 2.706 0 40 DFAB O=C(NCc1cc2ccccc2o1)[C@@H]1CCCN1c1ncccn1 81552486 GDAFACMZMITGRV-HNNXBMFYSA-N 322.368 2.508 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H](c2ccc(OC)cc2)C(C)C)C1 91371215 OFZDLWXQDUJHSC-QAPCUYQASA-N 304.434 2.993 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1 8299548 IYMFWRFFKMXAMU-UHFFFAOYSA-N 319.386 2.981 0 40 DFAB Cc1cccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1 409218512 FMVSATNFWLXIKP-UHFFFAOYSA-N 321.332 2.781 0 40 DFAB O=C(c1ccc(F)cc1F)C1CCN(C(=O)C(F)(F)F)CC1 72194160 LXHBFJXPZNAZHS-UHFFFAOYSA-N 321.245 2.948 0 40 DFAB CCc1ccsc1C(=O)Nc1ccc(OC)cc1C(=O)NC 69538132 MTRKUPSCXKVRKM-UHFFFAOYSA-N 318.398 2.931 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)c2ccc(F)cc2F)c1 69624841 LZNLXDCYOJDWRL-HSMVNMDESA-N 309.360 2.742 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 69615717 ACQCKEMDGNPSMX-LBPRGKRZSA-N 324.371 2.733 0 40 DFAB OC[C@@H]1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1 69780291 XIAAFFSVFKBMON-GFCCVEGCSA-N 303.337 2.617 0 40 DFAB Cc1cc(C(=O)N2CCC(OCCc3ccccc3)CC2)[nH]n1 71836567 WZXJOXVOGGOLBK-UHFFFAOYSA-N 313.401 2.582 0 40 DFAB Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)NC2CCCC2)c1 71858817 WYELNZQMPMSZRG-SPLOXXLWSA-N 307.459 2.999 0 40 DFAB O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(F)c(O)c(F)c1 97377210 OQZRXSCJVLWBPF-IINYFYTJSA-N 313.344 2.732 0 40 DFAB CC(C)CN1C[C@@H](C(=O)NCC2CCCCCCC2)CC1=O 84544231 CWWXOOVSSZLOCB-INIZCTEOSA-N 308.466 2.968 0 40 DFAB CC[C@H](NCc1ccc(CS(N)(=O)=O)cc1)c1ccccc1 95395889 SDBKCLQXPWPRDX-KRWDZBQOSA-N 318.442 2.716 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2[nH]ccc12 84714933 DZFRLYAWKSXVKP-SUMWQHHRSA-N 311.429 2.905 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)c2c(F)cc(F)cc2F)o1 95409231 MQNCIIUVOKMEOY-HNNXBMFYSA-N 313.275 2.643 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCc1cccc(F)c1F 95400975 BBKXLDBLIJDHRS-DFBGVHRSSA-N 324.371 2.620 0 40 DFAB CC(C)n1nnnc1SCCC(=O)Nc1cccc(F)c1 74191165 XCXNBUMXSXONTI-UHFFFAOYSA-N 309.370 2.514 0 40 DFAB COc1cc(CO)c(OCc2c(C)cccc2C)c(CO)c1 95939929 MEMKTOGUNINFAH-UHFFFAOYSA-N 302.370 2.876 0 40 DFAB CCc1cccc(C)c1NC(=O)N1CCSC[C@@H]1CCO 79110545 DBCBXLKBJXEKGC-AWEZNQCLSA-N 308.447 2.889 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCCSCC1 79423389 RVKFVVIYQCHSJV-KBPBESRZSA-N 300.468 2.730 0 40 DFAB O=C(CC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)COC2=O 1505840558 AYFJGTLCWCKLNC-UHFFFAOYSA-N 313.284 2.708 0 40 DFAB CCCC[C@](N)(C(=O)OC)c1cccc(Br)c1 39952004 TWKJCVKXJNXQAT-CYBMUJFWSA-N 300.196 2.966 0 40 DFAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H](C(N)=O)C(C)C)CC2 188135514 SRQUKTBFTROYCE-CVEARBPZSA-N 317.433 2.606 0 40 DFAB CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccc(OC)cc1 6493301 LLEDLJCSAWBNEF-UHFFFAOYSA-N 303.362 2.904 0 40 DFAB biogenic NC[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 218574798 BVNUZPVOFBTCNC-HRCADAONSA-N 321.829 2.855 0 40 DFAB O=C(NCCCF)c1ccc(C(=O)c2cccc(O)c2)cc1 188740514 CAFLGONNRHRYRM-UHFFFAOYSA-N 301.317 2.713 0 40 DFAB CCc1nc(NCc2cnc(C)s2)c2c(n1)c(C)nn2C 32650907 JDSBHFCDLRZTKN-UHFFFAOYSA-N 302.407 2.611 0 40 DFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(OCC(N)=O)c1 75837948 KDQOTUCJNAVBIB-UNEWFSDZSA-N 302.418 2.704 0 40 DFAB CC(=O)N(C)Cc1cncc([C@H]2CCCN2Cc2ccccc2)n1 72366121 WPYAQMYKKYBAGE-LJQANCHMSA-N 324.428 2.792 0 40 DFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COCCOC 79320834 DSNAPKWBQNVCDB-IRXDYDNUSA-N 305.418 2.834 0 40 DFAB CC(C)c1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1 42646502 JEVVHBUUJRLVRH-UHFFFAOYSA-N 311.385 2.502 0 40 DFAB CN(Cc1ccccc1)C(=O)Cn1ccc(=O)c2cc(F)ccc21 225751522 KPYSZGFEUZVPOQ-UHFFFAOYSA-N 324.355 2.799 0 40 DFAB CCn1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 80341984 WMVCQPNSEJCPKB-OAHLLOKOSA-N 304.825 2.925 0 40 DFAB CN(C)c1cccc(COC(=O)c2ccnc(-n3ccnc3)c2)c1 97377756 HFKDDRGCYMTOHY-UHFFFAOYSA-N 322.368 2.690 0 40 DFAB CCc1nncn1CCNCc1ccc(C)cc1Br 96483944 SCKMEVKRSNMTPT-UHFFFAOYSA-N 323.238 2.701 0 40 DFAB c1ccc2[nH]c([C@@H]3CCCCN3c3ccc4nnnn4n3)cc2c1 96472315 QEBPTUDRCFYERB-HNNXBMFYSA-N 319.372 2.732 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@@H]2CCc3c(F)cccc32)n1 96444659 WOXCMCAZTCZSFQ-CYBMUJFWSA-N 320.393 2.538 0 40 DFAB COc1cccc(N2CCC[C@@H](NC(=O)c3cscn3)C2)c1 96409293 JPKZMXRDPSJONG-GFCCVEGCSA-N 317.414 2.551 0 40 DFAB C[C@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccco1 96502057 IAVUJOZUOWVEFQ-QWHCGFSZSA-N 308.378 2.525 0 40 DFAB CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1 91364502 XFLWKDDRBBGWAO-QGZVFWFLSA-N 315.461 2.870 0 40 DFAB O=C(c1ccncc1)N1CCC(Oc2ncccc2Cl)CC1 96096885 TZQPYXGUNLSHCQ-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB CN(C(=O)CCn1cncn1)C1c2ccccc2-c2ccccc21 96448349 SUUBNKBJHCEVHV-UHFFFAOYSA-N 318.380 2.897 0 40 DFAB CC[S@](=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 96489753 WVQDNGPLIAMHND-MRXNPFEDSA-N 315.243 2.536 0 40 DFAB COCc1nc2n(n1)C[C@H](N[C@H](C)[C@@H]1CCC(C)=C(C)C1)CC2 583652028 YNILFPXABRAMMU-BZUAXINKSA-N 318.465 2.854 0 40 DFAB COc1cccc(CCNCc2cnn(CC(F)(F)F)c2)c1 256050406 DWHPKXVOPBOTAH-UHFFFAOYSA-N 313.323 2.786 0 40 DFAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc([C@@H]2CCCNC2)o1 257221644 DPYVBVNTRSIKBT-ZIAGYGMSSA-N 320.437 2.636 0 40 DFAB Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3ccn[nH]3)cn2c1 257240945 HVVGPNRWLZKUBF-OAHLLOKOSA-N 309.373 2.733 0 40 DFAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3cnccn3)C2)cc1 257276908 NVQLMNVRKDALCK-QGZVFWFLSA-N 324.428 2.558 0 40 DFAB CO[C@H]1CCCOC12CCN(Cc1ccc(Cl)cn1)CC2 257222370 DTBDMFXSTQHGKG-HNNXBMFYSA-N 310.825 2.895 0 40 DFAB C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cccc(CCCO)c1 253370955 YSRORPCKMBUCNV-RBSFLKMASA-N 304.434 2.811 0 40 DFAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c1 256047206 LCRVUGLCTLXQCA-UHFFFAOYSA-N 314.389 2.963 0 40 DFAB COCCN1C(=O)CCC[C@H]2CN(Cc3cccs3)CC[C@H]21 257254630 KEAZJYMWLGGSGF-GOEBONIOSA-N 322.474 2.598 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cncc([C@@H]2CCCN2C)n1 257200359 ACYOUQJVOFMGNI-KRWDZBQOSA-N 310.401 2.516 0 40 DFAB CC1CCN(c2nn(-c3ccc(Cl)cc3)nc2C(=O)O)CC1 256046495 GFARKVOWYBIOPI-UHFFFAOYSA-N 320.780 2.855 0 40 DFAB O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ccco1 43950389 CPMJKHGTUHPIJB-VOTSOKGWSA-N 315.760 2.953 0 40 DFAB COc1ccc(CC(=O)NC[C@@H](C)Cn2nc(C)cc2C)cc1 48408559 XWIFPWYRHYXMPC-CYBMUJFWSA-N 315.417 2.504 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)N[C@@H]1C[C@@H]1c1ccccc1 67615356 WCVGXWIRDYQFFF-HZPDHXFCSA-N 316.401 2.527 0 40 DFAB C[C@H]1CCN(CC(=O)Nc2nncs2)[C@H](c2ccco2)C1 72905502 FBJFMTYXUQFOQV-QWRGUYRKSA-N 306.391 2.543 0 40 DFAB Cc1cc(NC(=O)Cc2cccc(Br)c2)n(C)n1 65608236 OYYMCMJYAJJEKB-UHFFFAOYSA-N 308.179 2.672 0 40 DFAB CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@H]3C=CCCC3)C2)o1 89289607 JEOFKKUKNYNYNR-HOTGVXAUSA-N 317.433 2.769 0 40 DFAB CCCCn1nc(NC(=O)COC)c2cc3ccccc3nc21 16975331 BMUISYGQGIXUPY-UHFFFAOYSA-N 312.373 2.970 0 40 DFAB Cn1nc(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)ccc1=O 19288525 NPHHLFLCAMWGNC-UHFFFAOYSA-N 323.327 2.839 0 40 DFAB Cc1nccc(O[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 575605658 RNYOWEGEPFNKNR-AWEZNQCLSA-N 315.373 2.678 0 40 DFAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1CC1CCCCC1 1888876486 CROBJRADFSRNEQ-UHFFFAOYSA-N 302.349 2.719 0 40 DFAB NC(=O)c1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1F 33062551 GAFPKBJJMKOOPF-UHFFFAOYSA-N 311.316 2.587 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3ccncc3)C2)ccn1 1776000830 MFEAMWGXXBYOOA-OAHLLOKOSA-N 311.385 2.716 0 40 DFAB Brc1cccc(Cc2noc(C3CCNCC3)n2)c1 36765662 AEQNORJOMJZBDI-UHFFFAOYSA-N 322.206 2.890 0 40 DFAB COCCN1CCC[C@]12CCCN(C(=O)c1cccs1)CC2 1614931700 YWZIVLHGZMUYDU-KRWDZBQOSA-N 322.474 2.855 0 40 DFAB COC(=O)[C@H]1C[C@H](N2CCCC2)CCN1CC1CCCCC1 2055772098 WQWDLTNJSVMDCR-IAGOWNOFSA-N 308.466 2.669 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)ccn1)c1cccs1 10430631 PTTAPUCMLBPSIF-LBPRGKRZSA-N 303.387 2.658 0 40 DFAB CC(C)[C@@H]1NC(=O)N(Cc2cccc(Br)c2)C1=O 40037505 GBIWNAKAQLNDQN-NSHDSACASA-N 311.179 2.526 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1csc(Cc2ccccc2)n1 40088755 DJYOTBNFRASDHG-ZDUSSCGKSA-N 302.399 2.643 0 40 DFAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(F)c1 30445795 XVNFYPQQLJPYQL-UHFFFAOYSA-N 313.350 2.638 0 40 DFAB COCCNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 40140070 BNBLCBSLQTYJPU-UHFFFAOYSA-N 313.401 2.517 0 40 DFAB CCCC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 50496938 ANGCHYXLRAHXDX-UHFFFAOYSA-N 314.385 2.754 0 40 DFAB C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccnc1 31217101 YHZRDQPZBNVHQX-LLVKDONJSA-N 302.378 2.572 0 40 DFAB CC1(C)NC(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C1=O 40485947 YTKNFCVXTFXPLU-UHFFFAOYSA-N 319.748 2.825 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 40476651 HWZPLRDKVPWLRN-VXGBXAGGSA-N 316.405 2.570 0 40 DFAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 50721240 JURGWPRLLCMPEN-CQSZACIVSA-N 306.406 2.583 0 40 DFAB CNC(=O)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 40554336 FDWNTHAQIPGCRI-UHFFFAOYSA-N 304.177 2.641 0 40 DFAB CCOc1cccc2c1OCC(C(=O)NCc1cccnc1)=C2 40529543 KXYSDMGBEFJJCZ-UHFFFAOYSA-N 310.353 2.573 0 40 DFAB CC1(C)Cc2cccc(OCCNC(=O)c3ccncc3)c2O1 32050576 OSBUOZYOUCAARF-UHFFFAOYSA-N 312.369 2.604 0 40 DFAB OC[C@H]1CCCN(C(=S)Nc2ccc(OC(F)F)cc2)C1 8692211 GCRVIOLBXQNQMD-JTQLQIEISA-N 316.373 2.689 0 40 DFAB CCCCOC(=O)c1ccc(NCN2C(=O)CSC2=O)cc1 1749854 HSKRBNSQTMMDFY-UHFFFAOYSA-N 322.386 2.708 0 40 DFAB O=C(NCCc1ccccn1)c1ccc(Br)s1 21330448 PTSUNFALOVUYEV-UHFFFAOYSA-N 311.204 2.878 0 40 DFAB CC(C)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1 32863510 CRFKBIVMGHYGLF-UHFFFAOYSA-N 321.358 2.653 0 40 DFAB COc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 6152222 NGZLVONWOSDGIB-UHFFFAOYSA-N 324.336 2.601 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)NC[C@@](C)(O)c1ccco1 76087724 JGEAUKWUEDYRHR-SJKOYZFVSA-N 320.364 2.557 0 40 DFAB CO[C@@H](CNC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 76066225 XPVZYFCCEHQBKP-KBPBESRZSA-N 312.797 2.506 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1C 97091303 CMISCNJSXKEVIB-ZYHUDNBSSA-N 305.422 2.684 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)on2)c(OC)c1 52955991 SJJJSPALEFSTFA-OAHLLOKOSA-N 316.357 2.978 0 40 DFAB Cc1cccc(-n2c(NN)nc3sc4c(c3c2=O)CCC4)c1 535289 IBDDLHITJRBLBW-UHFFFAOYSA-N 312.398 2.530 0 40 DFAB CCCC(C)(C)NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 76829482 GNZPGYUBFHLHSN-UHFFFAOYSA-N 316.398 2.641 0 40 DFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1 22644555 IAEYAVKOFMIKFL-UHFFFAOYSA-N 322.286 2.815 0 40 DFAB C[C@H]1CCCN(CCCCNC(=O)c2ccc3c(c2)CCO3)C1 46991844 ZQPHLSSLCDYMOE-HNNXBMFYSA-N 316.445 2.863 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(C)c(O)c2)cc1 9738749 PMRXUYKCCGOMDH-UHFFFAOYSA-N 300.310 2.749 0 40 DFAB O=C(CN1C(=O)COc2ccc(Cl)cc21)OC1CCCCC1 23391528 VXLBZLHREAJXGS-UHFFFAOYSA-N 323.776 2.941 0 40 DFAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2)Oc2ccccc21 23701357 XMXURHDJNJDMCV-QGZVFWFLSA-N 310.353 2.748 0 40 DFAB C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)NCc1ccco1 24250260 QDCSDLUSWDUJGK-LLVKDONJSA-N 308.328 2.867 0 40 DFAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(Cl)c[nH]1 24749832 VOWFGUWOJCTVRR-UHFFFAOYSA-N 314.776 2.843 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCCCC1 72253609 OQGCYVDFPUWCFD-ZDUSSCGKSA-N 324.856 2.531 0 40 DFAB O=C(NCc1ccco1)c1cccc(CNC(=O)C2CCC2)c1 55482124 LJTQAHDWHKUNLB-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1 55453356 GNCRZUAKZQUQFV-UHFFFAOYSA-N 314.360 2.699 0 40 DFAB CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 3142191 FNSOKENJZRZVBA-KRWDZBQOSA-N 309.365 2.817 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)n1cnc2ccccc21 72255148 KHNJHEBELWGWGE-BBRMVZONSA-N 323.400 2.695 0 40 DFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@H]1CCCO1 57420790 FVVOUAMMSYYRCI-CHWSQXEVSA-N 313.401 2.976 0 40 DFAB C[C@H](NC(=O)NC1CCN(CC(F)F)CC1)c1ccccc1 57988392 SZXKWVLBOZGOBW-LBPRGKRZSA-N 311.376 2.776 0 40 DFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccncc1 113951537 WUPHBBLMNLSQEU-MRXNPFEDSA-N 300.358 2.564 0 40 DFAB COc1ccc(CC(=O)Nc2nonc2-c2cccs2)cc1 27663368 WXBLZTKQEVBABI-UHFFFAOYSA-N 315.354 2.988 0 40 DFAB Cc1ccccc1C[C@H](C)NC(=O)c1cccc(NC(N)=O)c1 58263979 QSJHLEZLZSLAJD-ZDUSSCGKSA-N 311.385 2.847 0 40 DFAB COC(=O)c1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1 58267490 KYVWFNAWLSQYCO-UHFFFAOYSA-N 323.308 2.776 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 36103469 WAIDXJKHRYWSRY-UHFFFAOYSA-N 322.836 2.524 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)N1CCc2ccc(O)cc2C1 44944931 OZGAVNLPBBYFBT-UHFFFAOYSA-N 316.386 2.711 0 40 DFAB CC(C)CCC(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 58393879 ZGGHLIIDFSNZDH-UHFFFAOYSA-N 311.389 2.954 0 40 DFAB COc1cc(CN(C)C(=O)NC[C@@H]2CCCO2)ccc1SC 58483373 QUZJFNUGYVFRCS-ZDUSSCGKSA-N 324.446 2.738 0 40 DFAB Cc1noc(Cl)c1CC(=O)NCCc1ccc(F)cc1F 69788702 FCEKRJKNCOPXQM-UHFFFAOYSA-N 314.719 2.816 0 40 DFAB Cc1cc(NC(=O)COC(=O)/C=C/c2ccccc2Cl)no1 3393363 DUPPPZZOIFZHPB-VOTSOKGWSA-N 320.732 2.832 0 40 DFAB O=C(CCn1nnc(-c2cccc(F)c2)n1)Nc1ccccc1 12881758 HZGXRGBFHATWGG-UHFFFAOYSA-N 311.320 2.508 0 40 DFAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306133156 MDRQKORKRVODSN-HNNXBMFYSA-N 318.417 2.514 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 13171161 YRAOIOKKUQKJPZ-SECBINFHSA-N 302.157 2.930 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O 3881327 SGYCSWPEAHDOHE-DTZQYVILSA-N 304.430 2.852 0 40 DFAB biogenic CCNC(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1 8709064 GGHZTHZFTKBHFR-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB C[C@@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 49167893 ZEOJBVHUPURKMT-MRVPVSSYSA-N 312.211 2.922 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCCc2sc(C)nc2C)CCO1 188024087 USNQVDYEGNPUFN-HNNXBMFYSA-N 311.451 2.513 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCCc1ccccc1)c1ccc(C)cc1 39977555 RVPASPKOXRPDPM-IBGZPJMESA-N 324.424 2.921 0 40 DFAB CN1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 4676130 DTWMYVADEDDGLK-RXCRORICSA-N 303.361 2.683 0 40 DFAB Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 14403074 ZVNBHZDVWPZJKU-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB CCCCn1c(O)c(C(=O)NC(C)C)c(=O)c2ccccc21 4728627 AJOGFUHPADFOBU-UHFFFAOYSA-N 302.374 2.645 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c2c(C)nn(C)c2n1 14898218 XQTLOVDCOWGELQ-UHFFFAOYSA-N 324.340 2.566 0 40 DFAB COc1ccccc1CNC(=O)Cc1cnn(-c2ccccc2)c1 14898881 SGHWIQWNZFTNOA-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C2CC2)cc1 4960854 RRKHFIOMQASCQM-UHFFFAOYSA-N 303.358 2.807 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCCCCC1 9255086 JWZFZZTZVBYOCI-UHFFFAOYSA-N 309.431 2.851 0 40 DFAB CCC(C)(C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7814950 FIXCFZKNOCCLNW-UHFFFAOYSA-N 317.838 2.809 0 40 DFAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N(C)c1ccccc1 16290686 WAEVPRJGFDXDQQ-NSHDSACASA-N 319.434 2.572 0 40 DFAB COC(=O)c1cn(CC(=O)Nc2nccs2)c2ccccc12 7909283 RGVCDVALUNPAPK-UHFFFAOYSA-N 315.354 2.523 0 40 DFAB FC(F)(F)c1ccnc(SCCCNc2ncccn2)n1 68772715 SXBIKHAUGBRCBD-UHFFFAOYSA-N 315.324 2.880 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCSc2ccccc21 8231584 CNSACDCNCMJUDW-LBPRGKRZSA-N 324.427 2.807 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2c(C(C)C)nn(C)c2Cl)c1 69490114 UKJKFPZYGLAYSI-GFCCVEGCSA-N 309.845 2.880 0 40 DFAB Fc1cccc(-c2nc(CN3CCc4cncnc4C3)co2)c1 69513961 OBBMUOWMDLUZPJ-UHFFFAOYSA-N 310.332 2.829 0 40 DFAB O=C(CCc1cccs1)N1CCCC[C@@H]1Cn1cccn1 71865020 PVOMUKLIILMXGT-CQSZACIVSA-N 303.431 2.959 0 40 DFAB O=C(Nc1ccnc2ccnn12)c1cc(-c2ccccc2)no1 71888841 LMKSMUIKHHTMSU-UHFFFAOYSA-N 305.297 2.637 0 40 DFAB C[C@@H](c1ccccc1Br)N1CCC(C(N)=O)CC1 71824639 OURKZKVLGVAUIK-JTQLQIEISA-N 311.223 2.707 0 40 DFAB O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 71913591 VSQXFYXGNZNWRA-UHFFFAOYSA-N 311.385 2.909 0 40 DFAB Nc1nc(SCc2ccccc2OCC(F)(F)F)n[nH]1 72302551 OPXTUKIDRUDXLZ-UHFFFAOYSA-N 304.297 2.620 0 40 DFAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCCC1 20457181 AAEJMNLCVYCYQS-OAHLLOKOSA-N 304.434 2.618 0 40 DFAB C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 84718172 YTSDLUBVJXQEBT-IGCXYCKISA-N 311.385 2.680 0 40 DFAB C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccsc1 95420900 NAELKNJHMIUNSG-UKRRQHHQSA-N 312.504 2.607 0 40 DFAB CC(C)C(=O)NCCN(C)Cc1ccc(Br)s1 95453476 HBVCTKMZIGCVQT-UHFFFAOYSA-N 319.268 2.715 0 40 DFAB Cc1ccccc1CCCN1C(=O)NC2(CCSCC2)C1=O 79055862 UTYFYIVARDPHNY-UHFFFAOYSA-N 318.442 2.745 0 40 DFAB CCOC(=O)N1CCC(Nc2cccc(NC(C)=O)c2)CC1 79067350 ORTIJMPYBTXFDE-UHFFFAOYSA-N 305.378 2.678 0 40 DFAB NC1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 95971441 VBMOPQAPMDDDNR-CYBMUJFWSA-N 300.324 2.672 0 40 DFAB CN1CCN(C(=O)c2ccc(Cl)cn2)C2(CCCCC2)C1 75093108 VWIXUCBBKWQWGP-UHFFFAOYSA-N 307.825 2.826 0 40 DFAB CC(C)N1CCCC[C@H]1C(=O)Nc1nc2cc(F)ccc2n1C 75361076 KNCMFBRXQTUMBT-HNNXBMFYSA-N 318.396 2.914 0 40 DFAB Cn1ncnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 126985432 ASTVFHSFCGXCIM-UHFFFAOYSA-N 320.418 2.664 0 40 DFAB CCN(C(=O)CCCn1cncn1)[C@@H](C)c1ccc(F)cc1 79043963 LLKPQGAWZGUVRZ-ZDUSSCGKSA-N 304.369 2.807 0 40 DFAB CCN1C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409227493 POQHJOWHOSLJCX-UKTHLTGXSA-N 300.289 2.998 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c1 34916246 CKUABCROERICFJ-CQSZACIVSA-N 300.402 2.797 0 40 DFAB CSc1cccc(NC(=O)C(=O)NCc2cc(C)oc2C)c1 70640481 BRLYZMFPNDMAOD-UHFFFAOYSA-N 318.398 2.873 0 40 DFAB Cn1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21 79493840 PCFZVYRMOHBIAY-UHFFFAOYSA-N 318.380 2.958 0 40 DFAB COC(=O)[C@H](NC(=O)Cc1cccs1)c1ccc(F)c(C)c1 183812005 AECQLLZNZXKTLY-OAHLLOKOSA-N 321.373 2.769 0 40 DFAB CCOC(=O)CCCC(=O)c1ccc(OC)c(OC)c1OC 43214415 DKQYOMVHIPCFOJ-UHFFFAOYSA-N 310.346 2.629 0 40 DFAB COC(=O)C[C@@H](C)SCc1csc(-c2cnn(C)c2)n1 79358924 PDKZWPGAXIQEKX-SECBINFHSA-N 311.432 2.728 0 40 DFAB O[C@]1(CN[C@H](c2ccc(F)cc2)c2ccccn2)CCSC1 225578275 RGCXHMIPVWANKL-SJORKVTESA-N 318.417 2.768 0 40 DFAB Cc1ccc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44246706 FAOXITHDEAFWSF-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cc1cc(C(=O)Nc2cc(-c3ccco3)nn2CCO)c(C)o1 49027742 HFVZODIKEXKBGC-UHFFFAOYSA-N 315.329 2.598 0 40 DFAB C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1C1CC1 527714666 ZHIRPQKFJMYLTM-MZGVZZPPSA-N 305.443 2.582 0 40 DFAB Cc1scc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c1C 223212483 PGIAPSHIGGANOL-UHFFFAOYSA-N 308.447 2.742 0 40 DFAB CCn1c(SCC(OC)OC)nnc1-c1ccc(F)cc1 194552902 UTLAQPVXUUYHON-UHFFFAOYSA-N 311.382 2.815 0 40 DFAB CS(=O)(=O)c1nnc(CSc2cc(F)ccc2F)s1 225552631 WCQPKZRRNROGQD-UHFFFAOYSA-N 322.383 2.512 0 40 DFAB Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 85344195 SCMIDXTXWKENIO-UHFFFAOYSA-N 304.390 2.574 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)c1csc(C)n1 81096030 FNYUBJKIWBUQFT-SNVBAGLBSA-N 306.387 2.657 0 40 DFAB Cc1cc(F)cc(Br)c1OCc1ncnn1C 194737398 DYUMCNBWOZOICO-UHFFFAOYSA-N 300.131 2.604 0 40 DFAB CC(=O)Nc1cc(O)c(Br)cc1Br 97053558 DLSMHUQFBYTZRM-UHFFFAOYSA-N 308.957 2.876 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c(F)c1 237349762 NZZYNHSSIZUHIO-LLVKDONJSA-N 309.337 2.694 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)[C@H]1CCOC1 97095070 ZVPZWWXQJYQPKB-CABCVRRESA-N 318.417 2.545 0 40 DFAB c1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)nc1 96059023 JCRRFERKOKWFRQ-UHFFFAOYSA-N 312.417 2.611 0 40 DFAB c1cncc(O[C@@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@H]23)c1 96042421 XIXCWQCWUOAZJM-ZACQAIPSSA-N 316.426 2.954 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@@H](N[C@H]2CCSC2)C1=O 96477901 BXCRYKZBDZXJAB-UONOGXRCSA-N 308.422 2.725 0 40 DFAB Cn1ncnc1CSc1nccn1-c1cccc(Cl)c1 96423964 AYAORTKUTSGGLA-UHFFFAOYSA-N 305.794 2.947 0 40 DFAB CSc1ccccc1C(=O)NCc1nn(C)c2c1CCCC2 96099121 IUEFXZRRZYJEAW-UHFFFAOYSA-N 315.442 2.951 0 40 DFAB C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1ccc(F)cc1 96437463 HCZDRWAWOLWZNH-BDJLRTHQSA-N 306.337 2.687 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)cc2NC1=O 248049961 WSWMHCPVWMWGRV-UZGDPCLZSA-N 324.380 2.947 0 40 DFAB C[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)[C@H](c2ccco2)C1 245304974 HIWATKBKDYNSRA-KFWWJZLASA-N 307.390 2.775 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)n1 257342037 ZMVAONKSEAMSCN-CQSZACIVSA-N 315.421 2.627 0 40 DFAB Cc1nn(C)c(C)c1CN(C)[C@H]1CCCN(c2ccccn2)C1 257300834 RVWGTTGYQFKJNC-INIZCTEOSA-N 313.449 2.533 0 40 DFAB Cc1ccnc(N2CCN(c3cncc4ccccc34)CC2)n1 280922643 GHLBURVLPVBGIV-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB CC[C@H](C)N1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103540 DIMFENARPZFDBJ-KBXCAEBGSA-N 320.408 2.680 0 40 DFAB CC[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F 161513486 IULXTXJDWHIYCP-BXKDBHETSA-N 305.802 2.707 0 40 DFAB NC(=O)CN(C(=O)c1cc2ccccc2s1)C1CCCC1 47236530 QDALFEURUBBFAE-UHFFFAOYSA-N 302.399 2.771 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 60167705 BDGNUQTXRNIZBY-UHFFFAOYSA-N 308.341 2.798 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCCN2CCC[C@@H](C)C2)c(C)c1 71906078 UXOQLQVTZCOJEH-CYBMUJFWSA-N 324.490 2.622 0 40 DFAB CCc1n[nH]c(S[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 71916021 BROFEMYRIIXLSK-LLVKDONJSA-N 322.821 2.918 0 40 DFAB CCCC(=O)Nc1cc(CCc2cc(OC)cc(OC)c2)n[nH]1 72287998 JMQHLWPVZNERJG-UHFFFAOYSA-N 317.389 2.951 0 40 DFAB Cc1nn(C)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12 16266575 DDHQEKYNADBPKL-UHFFFAOYSA-N 301.733 2.867 0 40 DFAB c1ccc(-c2noc([C@@H]3CN(Cc4cccnc4)CCO3)n2)cc1 19374369 LXMGBVMJRLYKCO-INIZCTEOSA-N 322.368 2.705 0 40 DFAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(Cl)ccc1OC 3501538 GCAHBDMUXGQSJV-VNKDHWASSA-N 309.749 2.963 0 40 DFAB Cc1c(Cl)ccc2sc(N3CCC(C(N)=O)CC3)nc12 1888844672 XKYMHIZALRTMPC-UHFFFAOYSA-N 309.822 2.960 0 40 DFAB CCCCN[C@H](CC(=O)Nc1c(C)cc(C)cc1C)C(=O)O 5258421 KWOCXJMDZARCIG-CQSZACIVSA-N 306.406 2.783 0 40 DFAB Cc1ccc2cc(-c3noc(-c4ccncc4)n3)c(=O)[nH]c2c1 9159710 DKCBESFSVZTBMM-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB c1ccc(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)cc1 2055739127 MDLSUYLPHTXQJU-INIZCTEOSA-N 311.429 2.918 0 40 DFAB Cc1ncc(CC(=O)N2CCc3nc4ncccc4cc3C2)s1 1889957568 OIJCZCMUMBIJQZ-UHFFFAOYSA-N 324.409 2.522 0 40 DFAB COc1cc2s/c(=N\C(=O)c3ccco3)n(C)c2cc1OC 101035628 JCDGDLPAYMRLPT-NXVVXOECSA-N 318.354 2.591 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)/C=C/c2ccoc2)cc1 96103176 QFBLZHQTLSRFMM-MCFICARUSA-N 303.383 2.865 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)c2ccc(Cl)s2)no1 30337779 NSSGCHAMEYRPOZ-UHFFFAOYSA-N 306.796 2.519 0 40 DFAB O=C(NCCn1ccnc1)c1ccc2[nH]c3c(c2c1)CCCC3 40160171 DPEDHTHYIQXDJJ-UHFFFAOYSA-N 308.385 2.673 0 40 DFAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)OCc2ccccc2)n1 40514030 UPQYWMYBWGANSF-MRXNPFEDSA-N 315.417 2.612 0 40 DFAB COC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 779289 CHAATDVUJMYQCY-UHFFFAOYSA-N 315.354 2.792 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H]1c1ccsc1 46464758 HHTXQGDBGKUNML-TZMCWYRMSA-N 304.419 2.880 0 40 DFAB Cc1nnn(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c1C 1570044 XZJIXUVSKVBDMB-UHFFFAOYSA-N 320.352 2.514 0 40 DFAB O=C(CN1CCOc2ccccc21)N1CCc2sccc2C1 32825396 QXXAYFZFKQLVRC-UHFFFAOYSA-N 314.410 2.532 0 40 DFAB CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 69811030 ZSWXGAIWYCLPSY-AEFFLSMTSA-N 314.429 2.731 0 40 DFAB COC(=O)CCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 8328003 UWLOSXMBNQHWRN-UHFFFAOYSA-N 317.316 2.911 0 40 DFAB O=C(NCc1ccncc1)c1nc(-c2ccc3[nH]ccc3c2)no1 12324228 ULQKDMWHRYTFDD-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1 57355448 GFEYRAFPQBEKFZ-WBVHZDCISA-N 300.402 2.655 0 40 DFAB COC(=O)[C@H]1CCC[C@H]1NC(=O)CCc1ccccc1Cl 76019127 GCLCGBITLQNXST-GXTWGEPZSA-N 309.793 2.731 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c1C 76043481 ZUTSBYGFNRASBK-CQSZACIVSA-N 302.378 2.794 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC[C@H]2C)c1 9745570 ANUNYPQEYVXSDA-LLVKDONJSA-N 317.389 2.618 0 40 DFAB CCN(CC)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 54061427 UARXKDKTPHIBCN-SFHVURJKSA-N 310.397 2.967 0 40 DFAB COC(=O)c1ccoc1COC(=O)Cc1ccc(C)c(OC)c1 24107017 QGJJCNXUYRYZNJ-UHFFFAOYSA-N 318.325 2.669 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc(-c2cccc(Cl)c2)[nH]n1 24959802 NYXYVKVROBTOTO-LBPRGKRZSA-N 305.765 2.639 0 40 DFAB CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)c3ccc(F)cc3)[C@@H]2C1 97046042 FWNKJFKPOYSMAT-NUJGCVRESA-N 321.392 2.667 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C3CC3)on2)c1 25534594 VXVGVJGRNXWPBP-UHFFFAOYSA-N 300.314 2.899 0 40 DFAB CCn1ncc(C(=O)O[C@H](C)C2CCOCC2)c1C(F)(F)F 97031996 KNHORZCAJBUBGB-SECBINFHSA-N 320.311 2.894 0 40 DFAB O=C(Nc1cc(O)cc(F)c1)c1ccc(Br)cn1 97032041 HMZUMZWGZRRYLZ-UHFFFAOYSA-N 311.110 2.941 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)COc2cc(C)on2)n1 72273752 SSVOAXIXWXNWJP-LBPRGKRZSA-N 321.402 2.881 0 40 DFAB COCCOCCCNC(=O)c1cc(Cl)cc2cccnc12 58229530 AAPMPVSBALQHHU-UHFFFAOYSA-N 322.792 2.671 0 40 DFAB CCc1noc(CNc2ccc(C(=O)N3CCCC3)cc2C)n1 58292757 DUDMLFWXNMFUNG-UHFFFAOYSA-N 314.389 2.789 0 40 DFAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)C1CC1 58228310 KOBJBNOYIXEWJA-IAGOWNOFSA-N 314.429 2.697 0 40 DFAB COc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 2194061 COSWRDBUZIFBRV-UHFFFAOYSA-N 309.354 2.923 0 40 DFAB CSc1sc(NC(=O)CNC(=O)c2ccccc2)nc1C 58355591 JLJDPGPBPBRVHM-UHFFFAOYSA-N 321.427 2.542 0 40 DFAB Cc1[nH]ncc1CCCNc1nc2ccccc2c(=O)n1C1CC1 58323902 ZPZHASBRWKWPIE-UHFFFAOYSA-N 323.400 2.808 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCCC2)cc1 12753860 PZONWPOMXNAPKO-INIZCTEOSA-N 305.422 2.937 0 40 DFAB C[C@@H](N(C)C(=O)CCn1ncc(=O)c2ccccc21)C(C)(C)C 45779895 FKBGSWDJCSIODO-CYBMUJFWSA-N 315.417 2.680 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2cc3cc(F)ccc3[nH]2)n1 48326885 TVLRGWUKKNYJJF-UHFFFAOYSA-N 314.364 2.940 0 40 DFAB CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)nc1O 48355949 MOPHDTXGSCRTOK-UHFFFAOYSA-N 300.236 2.671 0 40 DFAB Cc1cc2nnc(SCC(=O)NC(C)C)n2c2ccccc12 3495903 LELSDIFCNHWKJM-UHFFFAOYSA-N 314.414 2.808 0 40 DFAB C[C@H](OC(=O)c1ccccc1O)C(=O)N1CCc2ccccc21 3544537 AZVZFWVPWMIUBC-LBPRGKRZSA-N 311.337 2.527 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1nc(C)cs1)c1ccccc1 3561975 RTCPQAHYYKPTLG-ZDUSSCGKSA-N 303.387 2.658 0 40 DFAB CCCSc1nnc(Sc2ncccc2C(N)=O)s1 12916459 JGBIEYGLHFNNFJ-UHFFFAOYSA-N 312.445 2.685 0 40 DFAB Cc1ccc(NC2CCN(C(=O)CCc3ccccc3)CC2)nn1 69920257 OUBSZMBEBSTUTD-UHFFFAOYSA-N 324.428 2.821 0 40 DFAB COC(=O)[C@H](C)CSCc1nc(-c2ccc(F)cc2)no1 78822325 YYJGMBKTOCQMNW-SECBINFHSA-N 310.350 2.918 0 40 DFAB CCOCCO[C@@H](C)C(=O)N(C)[C@@H](C)Cc1ccc(OC)cc1 65550530 MTSXOQZNFLOUEZ-GJZGRUSLSA-N 323.433 2.526 0 40 DFAB Cc1ccc(O)c(-c2cc(C(=O)Nc3nnc(C)s3)n[nH]2)c1 5341986 VCCFOCFSCNPRNS-UHFFFAOYSA-N 315.358 2.503 0 40 DFAB Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(O)c1 14196519 UWJKAPBJUDCVPM-UHFFFAOYSA-N 324.336 2.606 0 40 DFAB Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)n1 65609127 BMIYBLOCPGGZNJ-UHFFFAOYSA-N 309.369 2.765 0 40 DFAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 5485716 WFZPZHFKONZJEQ-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB Fc1ccccc1NC(=S)NC[C@H]1COc2ccccc2O1 6561328 HDJUPTFRPVYDIJ-NSHDSACASA-N 318.373 2.952 0 40 DFAB COc1cccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 6557238 ZPRKHMQRHQRJID-UHFFFAOYSA-N 324.336 2.505 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2ccccc2OC)cc1 6590472 PLXAZNBJFKDLLE-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3 14613037 GKEOKAJRKHTDOS-ZDUSSCGKSA-N 323.348 2.896 0 40 DFAB endogenous,in-man CCOC(=O)c1ccccc1NC(=O)c1c(Cl)cnn1C 6726827 NDXLVAJWGONPHT-UHFFFAOYSA-N 307.737 2.503 0 40 DFAB O=C(Cc1ccon1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 96002324 DQJYMBMYGYEPIC-LBPRGKRZSA-N 320.217 2.915 0 40 DFAB C[C@H]1CN(CCNCc2csc(C(C)(C)C)n2)C[C@H](C)O1 67187097 LTYXQFJXOPSFLS-STQMWFEESA-N 311.495 2.639 0 40 DFAB C[C@H]1CN(Cn2nc(-c3cccs3)[nH]c2=S)C[C@@H](C)O1 16075325 HDBPBFJWCNFNMO-AOOOYVTPSA-N 310.448 2.736 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)c1 90801842 LHTCVZBZKPQNSX-KDOFPFPSSA-N 324.428 2.970 0 40 DFAB Cc1n[nH]c(C)c1CNCc1cccnc1OCC(F)(F)F 97159187 DPRPQELLNWGBQP-UHFFFAOYSA-N 314.311 2.652 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccccc2)c(OC(C)=O)c1 19814426 VMEIBGTUODNFEF-UHFFFAOYSA-N 312.325 2.823 0 40 DFAB O=C(O)c1coc(C(=O)NCC2(c3ccccc3F)CC2)c1 97115275 RXSZUURHPDGGFE-UHFFFAOYSA-N 303.289 2.579 0 40 DFAB CCc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1 71859417 JAGCEJVGDHAERP-UHFFFAOYSA-N 304.343 2.785 0 40 DFAB Cc1ccccc1OCCNC(=O)Cc1ccn(C(C)C)n1 71916494 HXRTWJSXSFNKNF-UHFFFAOYSA-N 301.390 2.510 0 40 DFAB CN(C)c1nc(N)nc(CSCc2cccc(Cl)c2)n1 9834578 HARLNOHBDYCUNI-UHFFFAOYSA-N 309.826 2.607 0 40 DFAB CS(=O)(=O)CCSc1nnc(-c2cc3ccccc3o2)o1 79014871 PNPUJFITSOHKJA-UHFFFAOYSA-N 324.383 2.620 0 40 DFAB Cc1cc(C(N)=O)ccc1NC(=O)C[C@H]1OCCc2ccccc21 95397446 JVUWTCCXYFSHLK-QGZVFWFLSA-N 324.380 2.737 0 40 DFAB O=C(N[C@@H](CCCO)c1ccccc1)c1ccn2ccnc2c1 95445721 RCRAUEKBPYGFLS-INIZCTEOSA-N 309.369 2.578 0 40 DFAB Cc1nc2ncnn2c(N[C@H]2CCO[C@H](CC(C)C)C2)c1C 95464291 CARNIPUENIXUBG-UONOGXRCSA-N 303.410 2.747 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)NCc1cccs1 95437131 DUCKNTZYNVAPGB-UHFFFAOYSA-N 306.435 2.606 0 40 DFAB CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 95413254 ZQMLOSIPGVRJOR-IJEWVQPXSA-N 317.433 2.536 0 40 DFAB CC[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(F)cc1 95968150 CXHBHKHWDRHNRQ-IRXDYDNUSA-N 304.413 2.903 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@H]2CCC[C@]2(C)CO)CC1 89157352 JAKUFRSDVCOBJS-MAUKXSAKSA-N 310.482 2.554 0 40 DFAB CCc1cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)[nH]n1 89282739 BTLYPBKDFOUDNV-ZDUSSCGKSA-N 319.430 2.855 0 40 DFAB Cc1ccc(-c2nc(C(N)=O)nn2-c2cccc(C)c2C)cc1 408694002 GVWURSKYYOXQHB-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB CC(C)c1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCCO2)on1 35511491 DPSOZNIJVHOEAB-OCCSQVGLSA-N 307.394 2.824 0 40 DFAB Cc1c(Br)c(C(=O)N[C@@H](C)c2ccccc2)nn1C 32648441 CNBXGKKAPCGOIJ-VIFPVBQESA-N 322.206 2.982 0 40 DFAB CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1Cc2ccccc2C1 519015967 HWELVJDVXVQVJW-UHFFFAOYSA-N 307.353 2.909 0 40 DFAB Cc1nc2cccnc2n1CCNC(=O)c1cccc(Cl)c1 72346457 BFKPTRIATVLOLS-UHFFFAOYSA-N 314.776 2.823 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN(c3ccnc(C)n3)C2)cs1 72369097 ZLHMOXRFIXRYIL-LBPRGKRZSA-N 317.418 2.584 0 40 DFAB Cc1nc(Nc2ccccc2)cc(N2CCC[C@@H](C(=O)O)C2)n1 217362415 RSGRFVGTNKETMW-CYBMUJFWSA-N 312.373 2.830 0 40 DFAB CC(C)=CCN1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 77023001 VVLPMKWGWBGYMP-OAHLLOKOSA-N 319.424 2.737 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ncc(F)cn1 72203272 XPJSMXTWFSOAQR-LBPRGKRZSA-N 310.373 2.817 0 40 DFAB O=C(NCCCn1ncc2c(Cl)cccc21)c1ccncc1 71196104 OXONFMWFZHEXGZ-UHFFFAOYSA-N 314.776 2.905 0 40 DFAB O=C1[C@@H](Sc2nncs2)CCCN1c1cccc(F)c1 79358851 GBQIQWDMHLYORP-NSHDSACASA-N 309.391 2.965 0 40 DFAB O=C(NC[C@@]1(O)C=CCCC1)c1cc(Br)cs1 606440836 VFQKFJUEMGEAJW-GFCCVEGCSA-N 316.220 2.712 0 40 DFAB CC[C@H](C(=O)O)N(C)Cc1cn(-c2ccccc2F)nc1C 1573768584 UXPJDYQHHYAIAH-CQSZACIVSA-N 305.353 2.615 0 40 DFAB Cc1ncc(C[S@@](=O)c2ccc3c(c2)OCCCO3)s1 83078308 HSSDVEANMUZRNG-FQEVSTJZSA-N 309.412 2.921 0 40 DFAB COc1ccccc1[C@]1(C)NC(=O)N(Cc2cccs2)C1=O 195576558 SGQJOLBRKUUCEO-INIZCTEOSA-N 316.382 2.724 0 40 DFAB Cc1noc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)n1 41123259 POUXNMUONXOIBT-AWEZNQCLSA-N 319.336 2.650 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2cnc(C3CC3)nc2C)c1 222567774 XZSSSARHHXVWLR-UHFFFAOYSA-N 310.357 2.873 0 40 DFAB c1ccc(C[C@@H]2CN3CCC[C@H]3CN2Cc2ccncc2)cc1 43568682 HPZCSLQJTHZCDK-VQTJNVASSA-N 307.441 2.973 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1ccc(-n2nc(C)cc2C)nc1 97148384 JVWGBMLMHHOZPM-CABCVRRESA-N 315.373 2.608 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1cccc(N2CCCCCC2)c1 96435189 QHCADPPOJIIPOP-AWEZNQCLSA-N 305.422 2.959 0 40 DFAB NC(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 142918188 QJJLTNHNLAKPCG-UHFFFAOYSA-N 313.426 2.705 0 40 DFAB Cc1ncsc1C(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 96442354 JQFDYZHOCWVGTI-LBPRGKRZSA-N 316.382 2.661 0 40 DFAB COc1c(CN2CCSC[C@@H]2c2ccc(C)o2)c(C)nn1C 93819051 IURJIQXRJKXZHQ-CQSZACIVSA-N 321.446 2.929 0 40 DFAB COc1cccc([C@H]2C[C@H](C)CN2c2ccc3nncn3n2)c1 578835146 YETFDDYMLQKQGQ-SWLSCSKDSA-N 309.373 2.720 0 40 DFAB CCOCCCC(=O)Nc1ccc(N2CCSCC2)cc1 96422402 PGRFLJOPCVSVGR-UHFFFAOYSA-N 308.447 2.995 0 40 DFAB Cn1cc(C(=O)N2CCO[C@@H](c3ccncc3)C2)c2ccccc21 257248442 JDSDLQXWEYEBFL-GOSISDBHSA-N 321.380 2.787 0 40 DFAB CS(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 47215075 CMVLOTLCAYHVHX-HNNXBMFYSA-N 314.410 2.849 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2ccccc2C)no1 58279310 ZVQCFIOIQMYAMK-GTJPDFRWSA-N 306.387 2.567 0 40 DFAB N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(I)cc1C2 95917697 DSBIOPCBTJKBGV-GBIKHYSHSA-N 313.182 2.743 0 40 DFAB Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 134391608 LAKFXHDKVXAFNT-UHFFFAOYSA-N 300.742 2.862 0 40 DFAB CCc1nc2ccc(NC(=O)c3cnc(SC)nc3)cc2[nH]1 12116930 TUIOABBIELSFLZ-UHFFFAOYSA-N 313.386 2.890 0 40 DFAB O=c1c2cc(O)ccc2nc2n1CCc1c-2[nH]c2ccccc12 14689112 NDJIQTYBQIKAGG-UHFFFAOYSA-N 303.321 2.807 0 40 DFAB biogenic,in-vitro CC(C)CC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19446281 SJHDZQBHLROYGP-UHFFFAOYSA-N 304.438 2.757 0 40 DFAB C[C@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CN(C)C)ccc2O1 19497950 WQZVCCYENPAXON-XJKSGUPXSA-N 302.418 2.566 0 40 DFAB Cc1nc(O)c2c(n1)CN(Cc1ccc3ncccc3c1)CC2 19576613 AJXOWIYVDXQQRO-UHFFFAOYSA-N 306.369 2.597 0 40 DFAB CC[C@H](O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O 156401224 VFDJFHUIBDFIJN-INIZCTEOSA-N 321.380 2.743 0 40 DFAB CN1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 22999704 RJYQKKUCRLGYHW-UHFFFAOYSA-N 324.490 2.604 0 40 DFAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccco1 7360511 MWBOXOXBAMQFNW-UHFFFAOYSA-N 313.401 2.950 0 40 DFAB O=C(c1ccccc1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888860502 PGVMMWGODUJUKH-AWEZNQCLSA-N 323.396 2.895 0 40 DFAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ncnc2c1CCCC2 1888897160 XFNCGEZPEGEGSA-UHFFFAOYSA-N 319.368 2.998 0 40 DFAB FC(F)(F)c1ccnc(N2CC[C@H](COc3ccccn3)C2)n1 1888906558 PVEKADOJIOOFBK-NSHDSACASA-N 324.306 2.796 0 40 DFAB Cc1cc2c(N3CCC[C@@H](COc4ccncc4)C3)nccn2n1 1776001860 OLQKDYSNIVDKTN-OAHLLOKOSA-N 323.400 2.728 0 40 DFAB CCOc1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 4275816 HLPXDUKXTNHBNN-UHFFFAOYSA-N 304.371 2.759 0 40 DFAB c1ccc(-c2nnc3ccc(SCc4cccnc4)nn23)nc1 4271408 WXDCMZWSXLNEPK-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB COCCn1cc(NC(=O)NC[C@H]2CCCO2)c2ccccc21 5266382 YBZDGSZLINAGMN-CYBMUJFWSA-N 317.389 2.588 0 40 DFAB CCCCCCN[C@H](CC(=O)Nc1cccc(F)c1)C(=O)O 5258684 KSAFDHQBOYSHSN-CQSZACIVSA-N 310.369 2.777 0 40 DFAB Cn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)ccc21 38652992 BGDADERXAKAXMH-UHFFFAOYSA-N 322.299 2.790 0 40 DFAB O=c1n(Cc2ccc(F)cc2)nc2ccc(-c3ccccc3)nn12 49399357 OQIHHRMVWISLJZ-UHFFFAOYSA-N 320.327 2.745 0 40 DFAB CN(Cc1cccc(OC(F)F)c1)C(=O)CC1(O)CCCC1 73054515 WIXPNMBNQUXZPM-UHFFFAOYSA-N 313.344 2.942 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(F)cc1F 40086419 CBTMNNSNCIMWOT-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB CCCN(CC(=O)NC)C(=O)Cc1coc2c(C)c(C)ccc12 40157575 DGFPIMJFKABTGL-UHFFFAOYSA-N 316.401 2.577 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)CCc1nc(C(C)(C)C)no1 31378493 UPGQOGPISUXZDY-NSHDSACASA-N 305.378 2.640 0 40 DFAB CC[C@@H](CO)Nc1ccc(NC(=O)c2ccccc2OC)cn1 20382419 MAEGNPYXLAQPHP-LBPRGKRZSA-N 315.373 2.525 0 40 DFAB CC(C)OCCCNC(=O)Cc1csc(-c2ccncc2)n1 31868142 MHHSTWRJYJPAQD-UHFFFAOYSA-N 319.430 2.679 0 40 DFAB CCCCCNC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 29693511 FDIPKIBSWNSKGZ-NEPJUHHUSA-N 319.405 2.513 0 40 DFAB CC[C@@H](NC(=O)Cn1cc(C)cn1)c1nc(-c2ccccc2)c[nH]1 69419216 BOEDTTHMAPZXFE-OAHLLOKOSA-N 323.400 2.849 0 40 DFAB CCCCCCNC(=O)NCc1ccc(-n2ccnc2)nc1 29726409 NGCFSJCHLMYHGQ-UHFFFAOYSA-N 301.394 2.647 0 40 DFAB COCC(=O)N[C@H]1CCCOc2c1ccc(Cl)c2Cl 69417428 LWMCGWUMBURKSN-JTQLQIEISA-N 304.173 2.970 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(C)cc(C)cc1C 365720 SQULOVWZYPKGFC-OAHLLOKOSA-N 302.374 2.755 0 40 DFAB CN(C)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 3115844 HJWUFZJBCLJDLK-UHFFFAOYSA-N 301.317 2.931 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(C)=CC[C@@H]2C(=O)O)cc1 3893704 VJYVMOJMTKUPLK-GJZGRUSLSA-N 316.357 2.641 0 40 DFAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1ccc(F)cc1 7046608 DYOHIFHDYYRUGY-UHFFFAOYSA-N 303.333 2.718 0 40 DFAB Cc1nnc(NC(=O)N(Cc2cccc(O)c2)C2CC2)s1 52797182 IOAARTVYXVVZTI-UHFFFAOYSA-N 304.375 2.749 0 40 DFAB Cn1nc(C(=O)OC2CCCCCC2)c2ccccc2c1=O 33002047 OMLBSNUNMWSUOQ-UHFFFAOYSA-N 300.358 2.813 0 40 DFAB O=C(Nc1ccccc1N1CCCCC1)N(CCO)C1CC1 75984139 YDCXCROVNACFEQ-UHFFFAOYSA-N 303.406 2.666 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)no1 76044052 JGFLRCVEZOICNC-CYBMUJFWSA-N 318.377 2.533 0 40 DFAB CCOC(=O)c1cnc2nc(-c3ccc(Cl)cc3)nn2c1C 9926431 ZAAQMCNHIGNBKM-UHFFFAOYSA-N 316.748 2.930 0 40 DFAB CN(C)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cn1 22420244 UJSLPRYOCOETEM-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100643909 HCPVRENOBXLPIP-JTNHKYCSSA-N 301.415 2.960 0 40 DFAB O=C(Nc1ccccc1N1CCCC1=O)c1n[nH]c2ccccc12 22748362 VPYXWWNLLFHGHK-UHFFFAOYSA-N 320.352 2.942 0 40 DFAB COc1ccc([C@@H](C)NCC[C@H](C)O)c(Br)c1 97034541 OUSZWJBLDVHEDJ-VHSXEESVSA-N 302.212 2.879 0 40 DFAB O=C(NC1CCN(c2ncccc2C(F)(F)F)CC1)C1CC1 47511236 MKPBANPPFUDFJT-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB COC(=O)Cc1cccc(NCc2nc3ccccc3n2C)c1 97051035 QOUSTUGCXUJHNC-UHFFFAOYSA-N 309.369 2.901 0 40 DFAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1cccnc1 1514358 WHEMZBRXXLGJRX-UHFFFAOYSA-N 302.355 2.972 0 40 DFAB COc1cccc(NC2CCN(C(=O)c3cc(C)no3)CC2)c1 78832281 UCAUPURDRGJLAL-UHFFFAOYSA-N 315.373 2.708 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)OC1CCCCCC1 107520777 QJDZKGPFIHRRAF-MJBXVCDLSA-N 312.454 2.534 0 40 DFAB Cc1ccc(Cl)cc1-n1nnc(C(=O)O)c1-c1ccncc1 57509281 MPUONPRASNLFNV-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COc1ccc(CC(=O)OC)cc1 44865948 HUGHPJGAOUNIDS-OAHLLOKOSA-N 319.401 2.572 0 40 DFAB Cc1ccn2cc(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)nc2c1 58369450 HDVYMCGOIWJDHU-GOEBONIOSA-N 315.417 2.968 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc2[nH]cnc2c1 11484801 DMQSJFCLXFIVNO-UHFFFAOYSA-N 319.368 2.802 0 40 DFAB NC(=O)c1ccccc1NC(=O)Cc1ccc2c(c1)CCCC2 48361779 IJNDXDHCDPCJON-UHFFFAOYSA-N 308.381 2.846 0 40 DFAB C[C@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 12801152 YIRFAKJHPPPPMT-ZDUSSCGKSA-N 300.427 2.984 0 40 DFAB COc1ccc(COC(=O)c2ccc3c(c2)OCO3)cc1F 3511607 WPZRQSOPGSAKRY-UHFFFAOYSA-N 304.273 2.920 0 40 DFAB O=C(COc1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1 12907487 UCZKIEQKYZZDQW-UHFFFAOYSA-N 310.353 2.596 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc(SC)nc1C 69665123 LLYBQAPQQVYLBO-KBPBESRZSA-N 324.446 2.859 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 13251128 CNZARUUEYPPVQJ-UHFFFAOYSA-N 319.357 2.837 0 40 DFAB O=C1c2ccc(Cl)cc2C(=O)N1Cc1ccc2c(c1)OCO2 4113782 FNKDGSVEGUXVOG-UHFFFAOYSA-N 315.712 2.865 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@H]1C 39345278 GOQUZTFUPFRUMB-VNQPRFMTSA-N 318.417 2.649 0 40 DFAB Cc1cccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1C 65232603 KPKFTTFYSMETDK-UHFFFAOYSA-N 307.357 2.665 0 40 DFAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(C(C)(C)C)cc1 65393135 RJWJLGZKMKJRIY-UHFFFAOYSA-N 312.417 2.794 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1F 14129044 UWXPLEBOWZKWFI-UHFFFAOYSA-N 312.300 2.852 0 40 DFAB O=C(NCCC(=O)N1CCCCCC1)c1ccccc1Cl 6578677 NVLOVDKWXQWSNF-UHFFFAOYSA-N 308.809 2.863 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O 409014017 OMIPVPVXPWIWHY-FKVCUQLRSA-N 309.343 2.576 0 40 DFAB COc1ccccc1OCCNC(=O)NCc1ccc(F)cc1 14706765 HNUJNCYWNDWWKT-UHFFFAOYSA-N 318.348 2.713 0 40 DFAB Cc1csc(NC(=O)c2cc(C)nc3c2c(C)nn3C)n1 14898740 SCRTXMOVNFQWAV-UHFFFAOYSA-N 301.375 2.602 0 40 DFAB CCc1nnsc1C(=O)Nc1cc(-c2cccs2)n[nH]1 67156220 VGTBKNQCYZEQRZ-UHFFFAOYSA-N 305.388 2.804 0 40 DFAB COCC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F 71185060 MEPFIWVYZRPJPS-UHFFFAOYSA-N 305.296 2.755 0 40 DFAB NC(=O)c1c(NC(=O)c2ccccn2)sc2c1CCCCC2 69161364 FPCFTZGYJGIZTM-UHFFFAOYSA-N 315.398 2.763 0 40 DFAB CCCCN1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 8271928 BPIHSMRPEJHDMR-OAHLLOKOSA-N 300.402 2.762 0 40 DFAB C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc[nH]3)c2)C[C@@H](C)O1 72291714 MONDCKSQYAWDTE-ZIAGYGMSSA-N 313.401 2.876 0 40 DFAB Cn1ncc(C(=O)Nc2cc(C(C)(C)C)on2)c1-n1cccc1 72297651 XJQFXPNWGBWMLG-UHFFFAOYSA-N 313.361 2.749 0 40 DFAB COc1cccc(CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c1 72296532 WDVFRFXKWYHFRM-GFCCVEGCSA-N 315.417 2.541 0 40 DFAB CCN(C(=O)c1ccccc1OCCOC)c1cccnc1 71857413 RXEYPVVMRCCGML-UHFFFAOYSA-N 300.358 2.774 0 40 DFAB CC(C)c1ncc(C(=O)N2CCOC[C@@H]2c2cccn2C)s1 97144079 KROYUEWPBJNUOJ-CYBMUJFWSA-N 319.430 2.819 0 40 DFAB C[C@H](c1cccnc1)N1CCN(C(=O)CCc2ccco2)CC1 71908160 VARVYBAPLCKDOJ-OAHLLOKOSA-N 313.401 2.513 0 40 DFAB NC(=O)[C@@H](Sc1nccn1Cc1ccccn1)c1ccccc1 71903269 AKOKWQGJFUIVLO-HNNXBMFYSA-N 324.409 2.645 0 40 DFAB CC(C)[C@H](Sc1nncn1C)C(=O)Nc1ccc(F)cc1 9690487 YTKNUTWXCVBIIC-LBPRGKRZSA-N 308.382 2.710 0 40 DFAB CCCc1ccc(S(=O)(=O)Nc2nnc(CCC)o2)cc1 97117194 YRRXKPTZOTTZLL-UHFFFAOYSA-N 309.391 2.775 0 40 DFAB Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)[nH]n1 84072848 ORQQIRWJXYQNFO-UHFFFAOYSA-N 313.401 2.666 0 40 DFAB Cc1cccc2[nH]c(CCC(=O)N(C)[C@H](CO)C(C)(C)C)nc12 97374776 CPXBLYDQIYHYHC-CQSZACIVSA-N 317.433 2.669 0 40 DFAB CCNc1ncc(C(=O)Nc2cnn(CC(F)(F)F)c2)s1 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IFLIIBDMFQKONO-SECBINFHSA-N 315.291 2.617 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C)c1cc(F)ccc1F 58298525 OMXSOCXRGDZACV-GVXVVHGQSA-N 313.344 2.726 0 40 DFAB COC(=O)c1cccc(C(=O)N(C)Cc2cccc(F)c2)c1 58266970 IVBNORGOKZICOO-UHFFFAOYSA-N 301.317 2.885 0 40 DFAB O=C(NCCCN1CCCC1=O)Nc1cccc(Cl)c1F 58289893 PRZJOJUCGAQNTD-UHFFFAOYSA-N 313.760 2.613 0 40 DFAB COc1c([C@H]2CCCN2C(=O)CCc2ccco2)c(C)nn1C 72234310 NQDVOTZAPWMJQO-CQSZACIVSA-N 317.389 2.626 0 40 DFAB Cn1c(SCCCCCO)nc2sc3c(c2c1=O)CCC3 58377829 RQBAXIBHYHQHTE-UHFFFAOYSA-N 324.471 2.738 0 40 DFAB CCCC[C@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)O 2332637 AQDOJCJKQPMHOY-LLVKDONJSA-N 307.346 2.995 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 11470958 GQXJYFVVDAYGFT-AWEZNQCLSA-N 320.389 2.771 0 40 DFAB COCc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 13019212 HZAREWIRLMBRAX-UHFFFAOYSA-N 313.353 2.534 0 40 DFAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](n2ccnc2)C1 69816907 OMAHUHBYMXPVBL-LBPRGKRZSA-N 324.306 2.774 0 40 DFAB COc1ccccc1[C@@H](CC(=O)NCCCN(C)C)C(C)C 13692302 KYZUNURROVMMNV-INIZCTEOSA-N 306.450 2.893 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(c2snc3ccccc23)C1 69667561 OLVYHDQRKQRWAQ-NSHDSACASA-N 301.415 2.791 0 40 DFAB Cc1ccccc1C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 39957005 SDJQLXBAHPYQDN-MRXNPFEDSA-N 313.353 2.917 0 40 DFAB C[C@@H](C(=O)NC1CCCCCC1)n1c(=O)oc2ccccc21 14138022 ZPUYRLFSVYVDPF-LBPRGKRZSA-N 302.374 2.995 0 40 DFAB COc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1OC 7043412 ICACZHRKNBZGHJ-UHFFFAOYSA-N 315.325 2.583 0 40 DFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1ccc[nH]1 9159574 ALEGGZIREZJYKG-UHFFFAOYSA-N 320.370 2.691 0 40 DFAB Cc1cc(C)c(C2=CSC3=NS(=O)(=O)CCN23)cc1C 7719305 NMLJNTNUPQHLDX-UHFFFAOYSA-N 308.428 2.658 0 40 DFAB Cc1nc(N(C)C[C@H]2COc3ccccc3O2)c2cc[nH]c2n1 80944934 FWRCJZBZAJHTPZ-LBPRGKRZSA-N 310.357 2.543 0 40 DFAB NC(=O)c1nccnc1C(=O)Nc1cccc(-c2ccsc2)c1 81326007 ZTHAMZIRVQNWTA-UHFFFAOYSA-N 324.365 2.556 0 40 DFAB O=C(NCCc1ccn(-c2ccccc2)n1)Nc1nccs1 69370193 GMIROWNARIYKEB-UHFFFAOYSA-N 313.386 2.693 0 40 DFAB FC(F)(F)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 96000210 SZPPEVLIOKDLDG-GFCCVEGCSA-N 313.279 2.662 0 40 DFAB CC(C)c1nn(C)cc1CN(C)Cc1c[nH]nc1-c1cccnc1 93867324 WEJWSVQGUHIZJV-UHFFFAOYSA-N 324.432 2.961 0 40 DFAB Cc1cccc(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)c1 71803667 BMOOLZDSUNJZGO-GFCCVEGCSA-N 319.386 2.960 0 40 DFAB CCc1ccc(NC(=O)c2ncc(C(N)=O)cc2Cl)cc1F 95434686 ZXDQWMBVIAYZBU-UHFFFAOYSA-N 321.739 2.788 0 40 DFAB COCCN1CCC[C@H](N[C@H](C)c2ccc(OC)c(F)c2)C1 95422069 MLFGBMHNCTZXJG-HIFRSBDPSA-N 310.413 2.596 0 40 DFAB Cc1cnn(CCC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1 73204243 XGERNMHHGBPWAX-HNNXBMFYSA-N 323.400 2.645 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)NC[C@@H]1CCC[C@H]1O 74316980 GNPPCRJAMJKROD-XJKSGUPXSA-N 318.417 2.578 0 40 DFAB COc1cc(NC2CCN(C[C@H]3CCOC3)CC2)cc(OC)c1 85868328 GVSZHHABRDIFJV-CQSZACIVSA-N 320.433 2.617 0 40 DFAB Cc1ccc([C@H](O)CN2CCc3c(ncn3C3CC3)C2)cc1C 75132618 YKPQPODZBCHXAO-LJQANCHMSA-N 311.429 2.927 0 40 DFAB CC(C)c1nc(S(=O)(=O)N2CCSc3ccccc32)c[nH]1 89891112 AVQIQRGXCACVRC-UHFFFAOYSA-N 323.443 2.834 0 40 DFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 409230927 HAHKZWPPOMHVGR-YRNVUSSQSA-N 324.764 2.660 0 40 DFAB Cc1ccc(C[C@H](NC(=O)c2cnccn2)c2ccccn2)cc1 79360533 GEGYKCKOKBFXEY-KRWDZBQOSA-N 318.380 2.894 0 40 DFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 31850807 SFOGWQMZUDYIJC-ZDUSSCGKSA-N 321.442 2.969 0 40 DFAB COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2)c1 72227755 SCQVUQWLMTVESB-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Cl)ncn1 72203409 DDXBUECOWHMWBT-JTQLQIEISA-N 312.801 2.576 0 40 DFAB Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2ccccc21 75611304 UUYXCWNTVFKNBQ-AUUYWEPGSA-N 312.413 2.946 0 40 DFAB biogenic CC(=O)N1CCC(c2ccnc(-c3ccc(CO)cc3)c2)CC1 72365858 KSSCMDJGDZOBKJ-UHFFFAOYSA-N 310.397 2.967 0 40 DFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2n[nH]cc2c1 522508739 UQFIQZREIGSTMI-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB Cc1ccc2c(c1)[C@H](NCC1(N(C)C)CCOCC1)[C@@H](C)C2 180543676 DACUVMXRDZIFPW-MAUKXSAKSA-N 302.462 2.929 0 40 DFAB Cc1c(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cnn1C 40268243 XVHVWRZOZCQDMD-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB Cc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)c(C)c1 224196727 KUOGFZUKUAWGDX-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB Cc1cccc(OCCNS(=O)(=O)c2ccc(F)cc2)c1C 223923748 UDOSCVKUYROXHD-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB COc1cc2c(cc1S(=O)(=O)NC1CCCC1)CCCC2 225578807 SEKCGVKFFGIJFF-UHFFFAOYSA-N 309.431 2.795 0 40 DFAB COCCOc1ccc(NC(=O)C2(OC)CCCCC2)c(C)n1 225888100 FSWYHNQHRFTKKK-UHFFFAOYSA-N 322.405 2.703 0 40 DFAB CCN(c1ccc(I)cc1)[C@@H](C)C(=O)O 224990639 MESGSTWZMOWIMU-QMMMGPOBSA-N 319.142 2.591 0 40 DFAB Cc1ccc(CN(CCO)C(=O)[C@H]2CCCC(F)(F)C2)o1 330391393 FZOCRCYOTZLIAL-LBPRGKRZSA-N 301.333 2.734 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 96125617 MMLDSGLYKUZQIA-VQIMIIECSA-N 312.413 2.795 0 40 DFAB biogenic CCN(CC)C(=O)C[S@@](=O)[C@H](C)c1ccc(F)c(F)c1 96448134 VMKDXVSEBGIFDR-SBKAZYGRSA-N 303.374 2.643 0 40 DFAB COC(=O)[C@H](C)N(C(=O)[C@H]1C[C@@H]1c1ccc(C)s1)C1CC1 96406160 ZXUJXBPQKMZRIF-DRZSPHRISA-N 307.415 2.713 0 40 DFAB CCc1cnc(CN(C)C(=O)N[C@@H]2COc3ccccc32)s1 96446983 JZVDERJJDMYBLJ-CYBMUJFWSA-N 317.414 2.981 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)Nc2cnn(C(C)C)c2)c(C)o1 96447231 ILVYQGLDEDIURE-MRXNPFEDSA-N 320.393 2.703 0 40 DFAB C[C@@H](c1ccco1)N(C(=O)c1cccc(C(=O)O)n1)C1CC1 97228562 HRZVBOFZYAJSBY-JTQLQIEISA-N 300.314 2.739 0 40 DFAB c1cc(N2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)cs1 96074879 ZXVMZMXCCVKTST-QGZVFWFLSA-N 322.474 2.598 0 40 DFAB N[C@H]1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 97019559 GMYHIDROYMRTPI-ZDUSSCGKSA-N 318.323 2.930 0 40 DFAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(Cc1ccsc1)CC2 247994970 LZNKBWHWVMKCGQ-GFCCVEGCSA-N 318.446 2.660 0 40 DFAB O=S(=O)(C1CCCC1)N1CCC[C@H](c2nccs2)C1 257229274 FXKSFSHKTJHYLT-NSHDSACASA-N 300.449 2.595 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 257325835 WUPRNKXYLFAAAM-GFCCVEGCSA-N 317.824 2.562 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC(C)(c2nccs2)CC1 257311665 UKODEYCWBKQMTQ-UHFFFAOYSA-N 319.430 2.871 0 40 DFAB Cc1cc2c(NCCC(=O)NC3CCCC3)ncnc2s1 31868842 JFQVCCBQTNNJPY-UHFFFAOYSA-N 304.419 2.861 0 40 DFAB O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1 56921526 WBGYXPKUDHNAQN-OAHLLOKOSA-N 322.474 2.506 0 40 DFAB CCc1nnc2n1CCN(Cc1ccc(F)c3cccnc13)C2 69599014 ZWZCQOFSJOZCFH-UHFFFAOYSA-N 311.364 2.544 0 40 DFAB O=C(CN1CCSC[C@H]1c1ccccc1)NCc1ccco1 71909059 MTDJKSVCJSOPGV-INIZCTEOSA-N 316.426 2.686 0 40 DFAB COc1cccc2sc(N3CC(OC(=O)C4CCC4)C3)nc12 75166573 MYJORMFMEYVEDV-UHFFFAOYSA-N 318.398 2.837 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2csc(COC)n2)C12CCCC2 76067968 QGYPQHBNVQSBOZ-CHWSQXEVSA-N 324.446 2.757 0 40 DFAB COC(=O)C[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl 89894568 DLHLWPOLTSJUTN-VIFPVBQESA-N 301.745 2.637 0 40 DFAB CC(C)c1cc(CNC(=O)c2cncc(Br)c2)on1 78725747 RYMVKIJQUGUCBL-UHFFFAOYSA-N 324.178 2.886 0 40 DFAB C[S@](=O)(CCCOCc1ccccc1)=NC(=O)C(F)(F)F 215488909 JOEMXVDLUZBZED-NRFANRHFSA-N 323.336 2.780 0 40 DFAB CC(C)(CC(=O)O)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 13006373 DQUVZLIBSUDABG-UHFFFAOYSA-N 315.272 2.838 0 40 DFAB COc1c(O)cc2oc(Oc3ccc(O)cc3)cc(=O)c2c1O 5998556 NTKNGUAZSFAKEE-UHFFFAOYSA-N 316.265 2.711 0 40 DFAB biogenic,in-vitro O=C(Oc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCC3 12846660 XLIAWDDPDDYQKW-UHFFFAOYSA-N 324.311 2.701 0 40 DFAB Cc1ccc(NC(=O)c2snc3c(O)ncnc23)c(C)c1 13564119 UFLYTPSDAUHOLX-UHFFFAOYSA-N 300.343 2.661 0 40 DFAB O=C(NC1CCCCC1)[C@H]1C=CCN1C(=O)c1cccs1 13565351 GGEKBTXMNPDNMV-CYBMUJFWSA-N 304.415 2.578 0 40 DFAB Cc1nn(C)cc1-c1cncn1C[C@@H](C)N1CCC(C)CC1 19719488 CATPFJWICZSCIO-CQSZACIVSA-N 301.438 2.712 0 40 DFAB C[C@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@H]1C(=O)O 581368217 TYKARCAYVOYOHO-WNYYMSAVSA-N 318.364 2.563 0 40 DFAB C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NC1CC1 7108776 LEUIXBBAFUTURE-SSDOTTSWSA-N 302.157 2.817 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2ncnc3c2CCCC3)C1 1889091535 RKVSRGSRFZDJDC-AWEZNQCLSA-N 310.401 2.717 0 40 DFAB COc1ccc(SCC(=O)Nc2c3c(nn2C)CCC3)cc1 23135722 HLIFAMDWHQBTKJ-UHFFFAOYSA-N 317.414 2.648 0 40 DFAB O=C1CCC2(CCN(C(=O)C3(F)CCC3)CC2)CN1CC1CC1 1565553473 ZOJGVEZNLIPPHM-UHFFFAOYSA-N 322.424 2.520 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)CC(C)(C)C)CC2=O)cc1C 5194143 HHKRYYKZVFRMTN-CQSZACIVSA-N 302.418 2.961 0 40 DFAB CC(C)=C1SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 10386550 GOJCFRZMRRKQDW-UHFFFAOYSA-N 308.334 2.754 0 40 DFAB Nc1cc2nn(-c3ccc(F)cc3)nc2cc1Br 569820 SHRWBJZDAXZRGN-UHFFFAOYSA-N 307.126 2.904 0 40 DFAB Cc1cc(C)n2cc(COc3nnc(-c4ccccc4)o3)nc2n1 96496005 UQKRIAMBHGHWLF-UHFFFAOYSA-N 321.340 2.975 0 40 DFAB Cc1nn([C@H](C)C(=O)Nc2ccccc2)c(=O)c2ccccc12 20096321 VJXMUYRXXFVYCO-CYBMUJFWSA-N 307.353 2.905 0 40 DFAB Cc1noc(C)c1CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 40461225 NCLJTTDNEXKFGG-SNVBAGLBSA-N 317.320 2.788 0 40 DFAB CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(F)cc2)cs1 40513866 XRVYKZXNGLCVNV-MRVPVSSYSA-N 307.350 2.732 0 40 DFAB CCCc1c(C)c2ccc(OCC(=O)OCC)cc2oc1=O 133266 HQRZZLIDZQUXHW-UHFFFAOYSA-N 304.342 2.996 0 40 DFAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)ccc2n1C 71796691 XTGMBKYCGDDQFI-MRXNPFEDSA-N 323.400 2.593 0 40 DFAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1 46368518 XFTNKVJHOGWELU-UHFFFAOYSA-N 302.761 2.899 0 40 DFAB CCCCCOC(=O)c1ccc(NC(=O)CNCCC)cc1 1671734 QPFWVIDULPZEDJ-UHFFFAOYSA-N 306.406 2.972 0 40 DFAB O=C(NCCNC(=O)Oc1ccccc1)OCc1ccccc1 1746027 UEFRRNUPPQJKKV-UHFFFAOYSA-N 314.341 2.701 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H](C)Cn2cccn2)nn1C(C)(C)C 52665238 HMLMLRZNSHWFNJ-ZDUSSCGKSA-N 317.437 2.777 0 40 DFAB COc1ccccc1[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678507 UXHBMMLFRYMHCE-TVQRCGJNSA-N 303.387 2.890 0 40 DFAB Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)CNC(C)(C)C 6922337 SJVUEDQCOVOQKJ-CYBMUJFWSA-N 319.401 2.538 0 40 DFAB CCSc1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 7264385 BJFGVTOHUZVQLH-UHFFFAOYSA-N 323.399 2.674 0 40 DFAB Cc1cc(C)n2cc(CN3CCC[C@H](c4cc(C)[nH]n4)C3)nc2n1 84111348 BJARCHPLGSBROU-HNNXBMFYSA-N 324.432 2.757 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 21891719 SQFITNRNJPPHTK-ZDUSSCGKSA-N 324.336 2.538 0 40 DFAB COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 21992977 DBMUXEJSBIDMQU-LJQANCHMSA-N 324.424 2.546 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1 540788 VZNGTUSXVUZRDQ-UHFFFAOYSA-N 304.371 2.652 0 40 DFAB Cc1ccc(CN(C(=O)N[C@@H](C)Cn2ccnc2)C2CC2)o1 47028069 KVDQUYIXBBCXRG-LBPRGKRZSA-N 302.378 2.547 0 40 DFAB O=C(NCc1nc(C2CC2)cs1)N[C@H](CO)c1ccccc1 97048307 VDEPGHYGVYWSCC-CYBMUJFWSA-N 317.414 2.553 0 40 DFAB O=C(NCc1cccnc1)c1cccc(OC[C@@H]2CCCO2)c1 22609704 PTBZDRQEUSNNKM-KRWDZBQOSA-N 312.369 2.569 0 40 DFAB CCN(CC(C)(C)O)C(=O)c1ccc(Br)c(F)c1 76093318 INIVBASXNXIYOG-UHFFFAOYSA-N 318.186 2.821 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)c2cc(C3CC3)on2)o1 76022871 JSPQDTJSYWZPLO-CYBMUJFWSA-N 304.346 2.825 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n[nH]1 53494885 ZZMOXXXFMPMOQA-UHFFFAOYSA-N 317.352 2.883 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 57355809 GAKWEKINGIPHBE-BBRMVZONSA-N 313.357 2.531 0 40 DFAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1 23991200 UVYBJFQALREDRW-CQSZACIVSA-N 300.406 2.923 0 40 DFAB CCn1ncc2c1CCC[C@@H]2NCc1cccc2c1OCCO2 72298433 XMAHCRJOQWRWIO-HNNXBMFYSA-N 313.401 2.841 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)cc1 55619403 NFAGMYDOOSWDGC-UHFFFAOYSA-N 310.375 2.879 0 40 DFAB Cc1csc(CCNC(=O)Nc2nnc(C3CC3)s2)n1 43359312 ZAYCRNHATHPUJL-UHFFFAOYSA-N 309.420 2.545 0 40 DFAB COc1ccc([C@@H](CC(=O)N2CCCC[C@@H]2C)NC(C)=O)cc1 25441181 HIGNVFVUKYKRQS-SUMWQHHRSA-N 318.417 2.664 0 40 DFAB CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(Br)o1 44287144 MROJORMEQNMUMY-RKDXNWHRSA-N 302.168 2.682 0 40 DFAB CCCCC1CCC(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 44456457 ZNRVIGJKDPVDJG-SHARSMKWSA-N 315.479 2.534 0 40 DFAB CNS(=O)(=O)c1csc(C(=O)Nc2c(C)cccc2C)c1 84224924 NOMFHAPNVBYTQV-UHFFFAOYSA-N 324.427 2.525 0 40 DFAB O=C(O)[C@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 62118163 NLTRPNKNQBGFDX-YEZKRMTDSA-N 314.168 2.940 0 40 DFAB O=C(O)[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 62134625 IOWVCGUSMPZAHW-SECBINFHSA-N 304.173 2.779 0 40 DFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccco1 48234251 DKYIFHCDNSMMJK-CQSZACIVSA-N 316.357 2.651 0 40 DFAB CCOc1cc(CO)ccc1OS(=O)(=O)c1ccc(C)cc1 2093924 VWPASXHZUGYNMI-UHFFFAOYSA-N 322.382 2.654 0 40 DFAB CCOC(=O)[C@H](C)Sc1nnc(-c2cccc(OC)c2)n1C 58231829 PZCYPRHEYJEQET-JTQLQIEISA-N 321.402 2.534 0 40 DFAB Cc1ccc(CNC(=O)Nc2cccnc2N2CCCC2)cn1 44952028 FTFAJSJPZXLZIJ-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB CCNC(=O)NCc1ccc(Oc2cccc(OC)c2)nc1 44968924 NXRZXXVKHLQZHX-UHFFFAOYSA-N 301.346 2.702 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCCc1c[nH]c2ccccc12 58407327 OLPAFXRKDWQKDI-UHFFFAOYSA-N 311.433 2.608 0 40 DFAB COc1ccc(Cl)cc1NC(=O)Cc1c(C)nn(C)c1C 10508511 PMYCNSQPXOQRHE-UHFFFAOYSA-N 307.781 2.880 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)COc1ccccc1 10737214 JCNGVDXLKXOCSF-UHFFFAOYSA-N 309.369 2.540 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1C 48383598 SEMZHZPZNOGZIW-ZIAGYGMSSA-N 316.357 2.559 0 40 DFAB Cc1cc(NC(=O)CCCOCCc2ccccc2)n(C)n1 48355891 DUHLGAQKVWOKFF-UHFFFAOYSA-N 301.390 2.707 0 40 DFAB O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)c1ccccc1-2 11660995 NEHDJFKGHYLNBD-UHFFFAOYSA-N 308.362 2.731 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc(Cl)c1 3416339 ASQHXVCKZAMHDU-UHFFFAOYSA-N 302.761 2.637 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320.352 2.727 0 40 DFAB Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CCC(=O)N1 78972347 KYMHVZWXIZZPBO-KRWDZBQOSA-N 324.380 2.791 0 40 DFAB O=C(COc1ccccc1O)N1CC[C@@H](c2ccc(F)cc2)C1 95430617 UPKRKARDFZBVNK-CQSZACIVSA-N 315.344 2.926 0 40 DFAB COc1cccc([C@H](O)C(=O)N[C@@H](C)c2ccc(C)s2)c1 95450257 ODJNFMSGICMLRK-NHYWBVRUSA-N 305.399 2.976 0 40 DFAB OCC1(Nc2ccccc2)CCN(c2ncc(Cl)cn2)CC1 95406806 SXVPBKQOPPSTBO-UHFFFAOYSA-N 318.808 2.573 0 40 DFAB O=C(O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 95989465 ILVDBHMUIJTHNT-QGZVFWFLSA-N 324.380 2.988 0 40 DFAB Cc1noc(CNC(=O)N2CC=C(c3ccccc3F)CC2)n1 95944860 LBYQCPQFVKQUON-UHFFFAOYSA-N 316.336 2.516 0 40 DFAB c1ccc2c(c1)C[C@H](c1nnc(NCc3cscn3)o1)O2 95992329 QWUNNXXCOYMXRX-GFCCVEGCSA-N 300.343 2.814 0 40 DFAB CC[S@](=O)c1ccccc1C(=O)NCCc1ccccc1 89274754 AWQIPBBIKYPIEG-OAQYLSRUSA-N 301.411 2.787 0 40 DFAB CC(C)(C)n1nc(C(=O)N2CC[C@]3(CCOC3)C2)cc1C1CC1 89761577 WIFFPPCPHXECQD-SFHVURJKSA-N 317.433 2.768 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cnn(C)c2)C1 89894288 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O=C(O[C@H](c1ccccc1)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 78768716 MRKOSQFGIRLPFM-HZPDHXFCSA-N 322.426 2.896 0 40 DFAB C[C@H](C(=O)NCCCC[C@@H](C)NC(=O)[C@H](C)C1CC1)C1CC1 573711786 JKYLKEMLDIIKQR-HZSPNIEDSA-N 308.466 2.870 0 40 DFAB CCCn1c(C(=O)O)nc2cc(C(=O)NC(C)C)c(Cl)cc21 225731192 AIFCENNHRSOAEC-UHFFFAOYSA-N 323.780 2.936 0 40 DFAB CNS(=O)(=O)c1ccc(-c2ccc(OC3CC3)cc2)cc1 527588594 LUBSWNGYAMBNGH-UHFFFAOYSA-N 303.383 2.803 0 40 DFAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1 225903551 SGGHICQVPWZNST-INIZCTEOSA-N 310.394 2.641 0 40 DFAB CCC(CC)C(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386029 NWKLQNGSGNUKRC-HNNXBMFYSA-N 314.385 2.601 0 40 DFAB COC(=O)[C@@H](C)CNC(=O)Nc1cccc(CC(F)(F)F)c1 86301310 HAPGBCRGUCMMCK-VIFPVBQESA-N 318.295 2.722 0 40 DFAB COc1ccc(N2N[C@](C)(c3cccs3)NC2=S)cc1 225343122 AEZKEZQSUPKCPB-CQSZACIVSA-N 305.428 2.829 0 40 DFAB COc1ccc(NC(=S)NCCCOC(C)C)cc1OC 225374684 VPVHHKHXWKOUAL-UHFFFAOYSA-N 312.435 2.805 0 40 DFAB COc1ccc(CCNC(=O)c2cnc(C3CC3)nc2C)cc1 222561067 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Cc1cc(NC(=O)CCN2CCC[C@H]2c2ccc(O)cc2)no1 58379084 KDIFHTRUDRJVCN-HNNXBMFYSA-N 315.373 2.854 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 58332055 POUKARZSUBQEPH-KBPBESRZSA-N 322.836 2.817 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1CC(=O)NCc1ccccc1 75107710 NYCGJDKIHAXZKA-MRXNPFEDSA-N 323.440 2.643 0 40 DFAB COc1ccccc1NC(=O)N[C@H]1CCCCC12OCCO2 89481761 LIPMTMIJKHFRAP-AWEZNQCLSA-N 306.362 2.502 0 40 DFAB O=C(NCCc1ccccc1)[C@H]1CC(c2ccc(F)cc2)=NO1 5029864 WQEPOODODHBKSS-QGZVFWFLSA-N 312.344 2.678 0 40 DFAB COCCNC(=O)Cn1c(-c2cccs2)cc2cccnc21 12118257 DUTTUCJVJCMCBP-UHFFFAOYSA-N 315.398 2.527 0 40 DFAB CCCCn1nc2nc(N3CCC(N)CC3)cc(C)c2c1C 12398922 ZBUDZIBTEKCQMC-UHFFFAOYSA-N 301.438 2.776 0 40 DFAB COC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 13668792 SBNQFGAHTGTBNE-ZDUSSCGKSA-N 321.442 2.887 0 40 DFAB CCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 14222455 YFDRYRUVPJPZLR-UHFFFAOYSA-N 307.419 2.618 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1 15424740 LNEMGZMDMWWSPT-UHFFFAOYSA-N 300.745 2.586 0 40 DFAB Nc1nonc1N[C@H]1CC(=O)C[C@H](c2ccc(Cl)cc2)C1 19974017 ORMYHAJTBJPFEB-MWLCHTKSSA-N 306.753 2.623 0 40 DFAB CC(C)(C)NC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040115 GLPJBNVZMFGLSJ-NSHDSACASA-N 323.824 2.791 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)COC)c1nc2cccnc2n1C(C)C 12221193 NLRBKCTYZRZOLI-DOMZBBRYSA-N 318.421 2.862 0 40 DFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 3610527 BAHGHLUTEJEKKL-IBGZPJMESA-N 322.364 2.645 0 40 DFAB O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)C1CC1 1888849483 URNFYFNRJYCPJS-NSHDSACASA-N 313.323 2.595 0 40 DFAB COCCn1cnc2c(NCc3ccc(Cl)cc3)ncnc21 1888906878 ZHBFJQAYUFEYKK-UHFFFAOYSA-N 317.780 2.738 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccsc1 240067991 SGPDJGRRIUKMTM-CYBMUJFWSA-N 322.455 2.861 0 40 DFAB CN1CCO[C@]2(CCCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055785437 XBLLXUNOTLYZQK-BQFCYCMXSA-N 308.466 2.526 0 40 DFAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc2ccccn12 20718737 VINXIVIPIFPHFI-ZDUSSCGKSA-N 310.382 2.775 0 40 DFAB CCOC(=O)c1s/c(=N\C(=O)c2ccc(C)cc2)n(C)c1C 100837594 PNLUJEMBRDLUML-MSUUIHNZSA-N 318.398 2.621 0 40 DFAB CCCC(=O)c1ccc(N2CCN(C(=O)CC)CC2)c(F)c1 34509 JOWNUGGNFGOBCR-UHFFFAOYSA-N 306.381 2.867 0 40 DFAB Cc1cn(CC(=O)NC2CCN(C(C)C)CC2)c2ccccc12 50553493 XXHVLNDCVOAPMA-UHFFFAOYSA-N 313.445 2.939 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100555676 ZMEMGCNZTHHVPD-VDUILEQBSA-N 320.186 2.985 0 40 DFAB O=C(CCNc1ncccn1)N1CCC[C@H]1c1cccs1 40553443 WPGCDLSSRNLMOZ-LBPRGKRZSA-N 302.403 2.704 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)[C@@H](C)n2cnc3ccccc32)cc1 32025493 YGUKQNZYOUAENX-KDOFPFPSSA-N 323.396 2.756 0 40 DFAB O=c1c(NCc2cccc(Cl)c2)c(NCc2ccco2)c1=O 101696809 QVVXDTIDIWVKCX-UHFFFAOYSA-N 316.744 2.753 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 179563 MZGAUGUCOZJNSY-GFCCVEGCSA-N 321.398 2.743 0 40 DFAB Cc1cc(OC(=O)c2ccccc2Br)cc(=O)n1C 343888 SNKNQSBAOHNRKD-UHFFFAOYSA-N 322.158 2.675 0 40 DFAB CCOC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F 794356 WRFRKUUPZBLDQT-CYBMUJFWSA-N 316.279 2.812 0 40 DFAB Cc1cc(C)cc(-n2nnnc2S[C@H]2CCCCC2=O)c1 21507111 BJCZSOSBWHGICG-AWEZNQCLSA-N 302.403 2.883 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)NCCCCn1ccnc1C 76087232 YYWBBZWOJBBFIJ-GJZGRUSLSA-N 324.494 2.945 0 40 DFAB c1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1 4038342 MDOCWQYMGLTFKB-UHFFFAOYSA-N 322.397 2.515 0 40 DFAB CCOC(=O)c1cnn2c1N[C@H](C1CC1)C[C@H]2C(F)(F)F 2766776 YMQLVZHHLOBRQO-UWVGGRQHSA-N 303.284 2.757 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(F)c1 482281 IQONCETYSFTEPO-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1cc(NC(=O)CSc2cnnc3ccccc23)no1 9428771 NFVRJDQICIDIIK-UHFFFAOYSA-N 300.343 2.657 0 40 DFAB C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 22540668 QHTJHAZQSNBMRL-JTQLQIEISA-N 304.296 2.781 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 1030311 VQFOGXGGJWPGIM-JEWRLFTDSA-N 305.333 2.673 0 40 DFAB CC1(NC(=O)Nc2ccn(CC(F)F)n2)Cc2ccccc2C1 92070793 BWLKYMDJLHGSIA-UHFFFAOYSA-N 320.343 2.827 0 40 DFAB c1ccc2c(NCc3ccc(-n4ccnc4)nc3)ncnc2c1 25006241 LJEKIBYOMOJOPA-UHFFFAOYSA-N 302.341 2.823 0 40 DFAB Clc1cnc(N2CCN(c3ncccn3)CC2)c(Cl)c1 25776964 MECYCCBXHOBXTG-UHFFFAOYSA-N 310.188 2.505 0 40 DFAB COc1ccc([C@@H](CNC(=O)[C@H]2CC=CCC2)N(C)C)cc1 25714868 RKAMGOASLQKUKJ-DOTOQJQBSA-N 302.418 2.770 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 12515372 IIXIQCQQSFPNKO-MRXNPFEDSA-N 323.396 2.686 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc(Br)c1 3218216 GNRLSAWMJACRTD-KCJUWKMLSA-N 312.163 2.587 0 40 DFAB Cc1ccc(-n2nnnc2N2CCO[C@@H](c3ccccc3)C2)cc1 77302079 NAYCAXPAZFMLEW-QGZVFWFLSA-N 321.384 2.549 0 40 DFAB CC(C)(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 77818631 FIGULVLBIFURCE-KGLIPLIRSA-N 306.381 2.698 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)c2cnc(C)cn2)cc1 44604647 AECUUYWPJDKMQA-UHFFFAOYSA-N 300.318 2.606 0 40 DFAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102971675 APMSSFKHMBFNQG-DZUCGIPZSA-N 317.502 2.942 0 40 DFAB C[C@H](NC(=O)c1ccccc1SCC(N)=O)c1cccs1 44874539 UQEUXPJHRUMXTK-JTQLQIEISA-N 320.439 2.817 0 40 DFAB Cc1ccccc1-c1noc(=O)n1Cc1nc(-c2ccco2)no1 58341036 NJGCVMAVWLKSRM-UHFFFAOYSA-N 324.296 2.503 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)CNC(=O)Nc1ccccc1 12778015 NZETWVMMJBAEKN-AWEZNQCLSA-N 311.385 2.994 0 40 DFAB Cc1noc(C)c1CSCC(=O)NCCc1cccs1 36712653 DIVKERHDYUXJRD-UHFFFAOYSA-N 310.444 2.945 0 40 DFAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccncc1 12802040 RNPCNSVEHYRKGP-UHFFFAOYSA-N 324.384 2.508 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1cc(F)cc(F)c1 11534562 WIYNDXSZMWLZMV-UHFFFAOYSA-N 301.296 2.585 0 40 DFAB CCc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1 45945449 JUVLFJVYQWJSIX-UHFFFAOYSA-N 319.382 2.772 0 40 DFAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCCC2)c1 63784822 CCRALJNHMOARQH-UHFFFAOYSA-N 306.362 2.888 0 40 DFAB O=C1COc2cc(NC(=O)OCC(F)(F)F)c(Cl)cc2N1 39947487 ZFCSTJKHDQUMGO-UHFFFAOYSA-N 324.642 2.782 0 40 DFAB in-vitro C[C@H](OC(=O)Cc1ccsc1)c1nc2ccccc2c(=O)[nH]1 5358214 WHFNPZIOGRYSMQ-JTQLQIEISA-N 314.366 2.832 0 40 DFAB CCNC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1 65607926 LMEOODQIDYFUGX-UHFFFAOYSA-N 306.406 2.530 0 40 DFAB CSc1nc(C)c(CCC(=O)Nc2nnc(C)s2)c(C)n1 9499067 QXBNUBZHVJEVLZ-UHFFFAOYSA-N 323.447 2.547 0 40 DFAB NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 4585200 NELIJDQZFWMMNK-UHFFFAOYSA-N 313.744 2.505 0 40 DFAB CCOC(=O)c1c(C)oc2ncn(Cc3ccccc3)c(=O)c12 19431736 WMDWXGQXLFGHNW-UHFFFAOYSA-N 312.325 2.523 0 40 DFAB COc1cccc(-c2noc(COC(=O)c3ccco3)n2)c1 5855606 GRGOPDZYQQCZEO-UHFFFAOYSA-N 300.270 2.695 0 40 DFAB C[C@H]1CCCCN1C(=O)CN1CCO[C@H](c2cccc(F)c2)C1 67227881 UBOHDJIZTQDQDW-YOEHRIQHSA-N 320.408 2.600 0 40 DFAB CCN(C(=O)N[C@@H](CCSC)C(=O)OC)c1ccccc1 9304637 UQRJQJOKPHYRIG-ZDUSSCGKSA-N 310.419 2.517 0 40 DFAB Cn1ncc2c(=O)[nH]c(N[C@H]3CCC(C)(C)c4ccccc43)nc21 69533503 PNYOUFVRTYILNI-AWEZNQCLSA-N 323.400 2.881 0 40 DFAB CN(CC1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C 69658642 BMIPZZXVTOBFMQ-UHFFFAOYSA-N 306.410 2.560 0 40 DFAB Cc1ccc(S(=O)(=O)CCCOc2cccnc2C)cc1 97082620 IYBZEHAXGJTXSM-UHFFFAOYSA-N 305.399 2.941 0 40 DFAB C[n+]1ccccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 71921863 FKJPEOUXNVPVGY-UHFFFAOYSA-N 322.354 2.857 0 40 DFAB COc1c([C@H]2CCCN2C(=O)c2ccsc2)c(C)nn1C 72234282 QEVSIXMDAKTVGQ-GFCCVEGCSA-N 305.403 2.776 0 40 DFAB Cc1cnn(CCC(=O)Nc2nnc(CC3CCCC3)s2)c1 84265212 FPXISANULJIORU-UHFFFAOYSA-N 319.434 2.805 0 40 DFAB O=C(CN1CCCCCCC1=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 84393469 FHSASMSAZNXERP-CVEARBPZSA-N 318.392 2.591 0 40 DFAB COc1cc(C(=O)Nc2cnccn2)sc1Br 97379935 DSSLWZJZYLJIEL-UHFFFAOYSA-N 314.164 2.562 0 40 DFAB COC(=O)c1sc(NC(=O)c2ccn(C)c2)nc1C(C)(C)C 95418545 YWRQZFBAJNVXCU-UHFFFAOYSA-N 321.402 2.818 0 40 DFAB O=C(NCc1ncc[nH]1)Nc1ccc(OC(F)(F)F)cc1 95436512 BUKAGOFZVJMTHH-UHFFFAOYSA-N 300.240 2.630 0 40 DFAB Cc1nc(CC(=O)N[C@@H](C)[C@@H](C)Oc2ccccc2)cs1 95400139 AXMUOALXLZHUAK-NWDGAFQWSA-N 304.415 2.966 0 40 DFAB Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ncc[nH]1 95428885 HLESBEKJGHPEEF-UHFFFAOYSA-N 316.430 2.519 0 40 DFAB Cc1ccc([C@@H](CCn2cncn2)NC2CCC(O)CC2)cc1 95940765 XCISTVOYIHMBGG-DAWZGUTISA-N 314.433 2.611 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@H]1c1ccco1 75124478 ZWUJIYRFWZTEPS-RKDXNWHRSA-N 312.247 2.729 0 40 DFAB CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)c1 75244240 NNYGJNSCEUZXNA-HVHJFMEUSA-N 317.385 2.810 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)COc1ccccc1F 89894709 IBPIQBBPXQSTPQ-LLVKDONJSA-N 305.305 2.575 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(=O)n(C)c1 89930105 GQTLBYYUEBWLBR-APPDUMDISA-N 314.360 2.578 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)c1ccccc1 408707214 LIEUQYXMGFEDIV-HNNXBMFYSA-N 310.397 2.531 0 40 DFAB CC(C)N1CCC[C@H](c2cccc(CCC(=O)N(C)C)n2)C1 72360453 XUJLCPGEHPOEMC-HNNXBMFYSA-N 303.450 2.690 0 40 DFAB O=C(O)c1coc(N2CCc3c(cccc3C(F)(F)F)C2)n1 530179304 SNXDCCVITKDKGY-UHFFFAOYSA-N 312.247 2.954 0 40 DFAB CC(C)(C)OC(=O)N1CCn2c(C(=O)O)ccc2C12CCC2 1554770423 MOQDQLVUOAEAHP-UHFFFAOYSA-N 306.362 2.816 0 40 DFAB COc1ccc(CCNC(=O)Cc2ccc(OC)c(C)c2)cc1 74959632 VXSNGZOSSGXNPX-UHFFFAOYSA-N 313.397 2.914 0 40 DFAB CNc1cccc([C@@H]2CCCN(C(=O)c3cncs3)C2)n1 72368420 OPOZITYPVVKPDR-LLVKDONJSA-N 302.403 2.600 0 40 DFAB CSc1ccc(OCCN2CC[C@H](N3CCCC3)C2)cc1 75685388 DCVACORMMRDOEC-HNNXBMFYSA-N 306.475 2.957 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1OCC 30757575 QRKZIARQXKRZKG-HNNXBMFYSA-N 321.417 2.712 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@@H](Cc2cccnc2)C1 72385175 FQEPPRWVRJFPOS-INIZCTEOSA-N 316.426 2.725 0 40 DFAB OCCN1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72361603 VTICYYXUWKMBOW-UHFFFAOYSA-N 317.364 2.580 0 40 DFAB O=C(NCc1cccc(Cl)c1)c1cc2c([nH]c1=O)CCCC2 49551439 AWQSEODEUHCDBK-UHFFFAOYSA-N 316.788 2.837 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 45868182 VAMLPDAGOHWOIM-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 195541572 QCIVXYPQGJKXEL-MDZLAQPJSA-N 309.312 2.534 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc(C)cc1 223712707 DRJGLJXVJQFISJ-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB O=C(CCc1ccc(Br)cc1)N[C@@H]1CCCOC1 95407184 BFZBVYQLFIKLTF-CYBMUJFWSA-N 312.207 2.677 0 40 DFAB CCc1cnc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc1 96161082 CIJFAUPONQQZDY-UHFFFAOYSA-N 308.385 2.529 0 40 DFAB CC[C@H](C)c1cc(C(=O)Nc2c(N(C)C)ccnc2OC)on1 95401172 FYSHUCHFVALMIW-JTQLQIEISA-N 318.377 2.910 0 40 DFAB COCc1ccccc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 96425505 CNBQUSMTJCNKRB-LBPRGKRZSA-N 315.417 2.544 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)CCC(C)C)c1 96408215 BEKVYKAEKLQSHB-OAQYLSRUSA-N 311.447 2.956 0 40 DFAB O=C(CC[C@H]1CCCO1)NCCc1nc(C(F)(F)F)cs1 96432822 XXSYCYAQDMHWAX-SECBINFHSA-N 322.352 2.780 0 40 DFAB CCOc1ccc(NC(=O)C(F)(F)c2ccccn2)cc1CO 95447798 JMYOHLQXAPOIBD-UHFFFAOYSA-N 322.311 2.703 0 40 DFAB NC(=O)c1csc(CN2CCc3c(F)ccc(F)c3C2)c1 93815793 OXBKUNPENIZTCX-UHFFFAOYSA-N 308.353 2.684 0 40 DFAB O=C(NC1Cc2ccccc2C1)c1cc2ccc(Cl)cn2n1 257250838 JOFILROOHDQEIP-UHFFFAOYSA-N 311.772 2.885 0 40 DFAB CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC(C)(C)CCO)cc1 252485367 GSHHWVPFPCIFMK-CYBMUJFWSA-N 305.418 2.906 0 40 DFAB Cc1cc(O)nc([C@@]2(C)CCCN2C(=O)c2ccccc2F)n1 257226049 FIXLVBLBASYJMQ-QGZVFWFLSA-N 315.348 2.781 0 40 DFAB Cc1cccc(CN2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 257337140 YROFLUQFLVETCE-RTBURBONSA-N 312.413 2.794 0 40 DFAB Cc1ccc(CN2CC3(CO[C@H](Cc4cncnc4)C3)C2)cc1 257253297 JYIMOXOHWXTSEK-GOSISDBHSA-N 309.413 2.619 0 40 DFAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(C(=O)O)s1 262399141 MABFAAYOIULVFE-LLVKDONJSA-N 317.366 2.927 0 40 DFAB O=c1c(Cl)c(N2CCCC2)cnn1-c1ccc(F)cc1F 51088459 RMASBNKBGDTBGT-UHFFFAOYSA-N 311.719 2.764 0 40 DFAB COc1ccc(OCc2nc3ccccc3s2)c(C(N)=O)c1 51970879 KDMJWLFBILLHAW-UHFFFAOYSA-N 314.366 2.983 0 40 DFAB O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCCC1 57984854 VHNHGXATBIHPBK-UHFFFAOYSA-N 319.474 2.906 0 40 DFAB CC(C)Cn1nc(-c2ccc(Cl)cc2)cc(C(=O)O)c1=O 82463159 GFDALRPFGXPOLD-UHFFFAOYSA-N 306.749 2.918 0 40 DFAB Cc1ccc(CNC[C@]2(O)CCSC2)c(Br)c1 96483946 LALCHQBYJWBOIR-CYBMUJFWSA-N 316.264 2.715 0 40 DFAB O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 19404262 HWYZNHRBYWRVSP-CYBMUJFWSA-N 313.405 2.639 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 9452680 UNSYLYTXQUVSRG-ZDUSSCGKSA-N 321.380 2.733 0 40 DFAB Cc1ncsc1C(=O)NCc1cccnc1-c1cccnc1 238881184 PHFXKZDAFPIQTB-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cc1ccccc1C(=O)Nc1c(C)nc2scc(C)n2c1=O 8931700 OCGVFUPOVHFEGE-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)no1 1775967738 BEQUMYWDRFOPAE-LLVKDONJSA-N 318.354 2.768 0 40 DFAB COc1cc2nc(N3CCC[C@H](C)CC3)nc(N)c2cc1OC 78613224 VBALJCDWJTZIJP-NSHDSACASA-N 316.405 2.856 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCc2ccccc21 40496244 XTKFBCLRNGDTRI-MRXNPFEDSA-N 324.428 2.741 0 40 DFAB COc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cn1 40515808 MZQSUHOSVQSPKV-UHFFFAOYSA-N 304.350 2.558 0 40 DFAB Cc1cc(NC(=O)c2ccn(-c3ccccc3Cl)n2)[nH]n1 51374477 DAXIJKJBFVYMFH-UHFFFAOYSA-N 301.737 2.810 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 20737854 VHHUOPIKBXYGTD-WMZOPIPTSA-N 324.380 2.853 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 379645 YFCSQHBDHLFXFA-UHFFFAOYSA-N 319.382 2.875 0 40 DFAB CCOC(=O)CSc1nnc(COc2cccc(C)c2)o1 421330 OHQJIYZLNNDTDO-UHFFFAOYSA-N 308.359 2.612 0 40 DFAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccn1 527329 FQCPMHUFBSCRJK-UHFFFAOYSA-N 312.354 2.862 0 40 DFAB Cc1ccc(CCC2CCN(C(=O)c3nccnc3N)CC2)cc1 11968359 BLMDKEDBBNQSBO-UHFFFAOYSA-N 324.428 2.852 0 40 DFAB CCCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1 32666620 WYKOEBHLTSFNAX-UHFFFAOYSA-N 320.433 2.852 0 40 DFAB Cn1c(=O)c(I)c(Cl)c2ccccc21 2557533 BNVIUUIEZNMTOI-UHFFFAOYSA-N 319.529 2.797 0 40 DFAB Cc1ccc(-c2nc(C(=O)O[C@H]3C[C@H](C)OC3=O)cs2)cc1 32741879 GUEKFVJEPIKXHS-GWCFXTLKSA-N 317.366 2.979 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccn1 32841597 KABYKLZQNNCAIX-MRXNPFEDSA-N 307.353 2.984 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)NC[C@@H]1CCCO1 2778997 WXSRDSDBIHHFSA-BDAKNGLRSA-N 321.755 2.639 0 40 DFAB Cc1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)no1 7985314 GZPYEHKVJSXUFE-UHFFFAOYSA-N 305.422 2.902 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccsc1 8328292 XWBWEONJUQULPZ-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB C1=C[C@@H]2C[C@H]1CC21COC2(OC1)OCC1(CO2)C[C@H]2C=C[C@H]1C2 103548508 VGFOQSFPTGPPBK-NASMOVRJSA-N 316.397 2.856 0 40 DFAB O=C1CCc2cc(OC(=O)CSC(F)(F)F)ccc2N1 41794775 RQCQRTISBNPPEG-UHFFFAOYSA-N 305.277 2.730 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1ccc(CN2CCCC2=O)cc1 97037298 VTXATRQPTBVQMA-RKVPGOIHSA-N 315.461 2.950 0 40 DFAB COC(=O)CCCNC(=O)N1CC=C(c2ccc(F)cc2)CC1 9645772 KEMHIRIQFGDXGT-UHFFFAOYSA-N 320.364 2.578 0 40 DFAB Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1-n1cncn1 72297126 FGNABDCVUAYCJC-IAGOWNOFSA-N 318.380 2.862 0 40 DFAB O=C(Nc1cn[nH]c1)c1cnc(Cc2ccc(F)cc2)s1 72288348 PCVGNDYYYIQSBC-UHFFFAOYSA-N 302.334 2.848 0 40 DFAB Cc1[nH]c2ccccc2c1[C@@H]1NC(N)=Nc2nc3ccccc3n21 12523712 BJPAIXFWGKKPER-MRXNPFEDSA-N 316.368 2.922 0 40 DFAB Cc1cc(NC(=O)NCc2ccccc2OCCO)ccc1F 76021440 KSICPJWNUQLZQO-UHFFFAOYSA-N 318.348 2.827 0 40 DFAB COc1ccc(NC(=O)[C@H](C)N2CCCCCC2)c(OC)c1 25407761 RSKSTQODXCQMJD-ZDUSSCGKSA-N 306.406 2.907 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3cccc(C)c3)CC2=O)cc1 26018451 YRIXPHZOSQGBAS-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB COCCNC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57412525 YHHIGBFNGRUXBZ-UHFFFAOYSA-N 307.781 2.535 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)c1ccco1 48249124 MLBUWGBOCDQUHK-ZDUSSCGKSA-N 318.398 2.825 0 40 DFAB CCOC(=O)[C@@]1(c2cccn2C)Sc2ccccc2NC1=O 3369755 ZJEFDMSNUMTLKV-INIZCTEOSA-N 316.382 2.528 0 40 DFAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC1 20111554 HDFKALZTNNCKQA-MRXNPFEDSA-N 308.397 2.585 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1cccc(O)c1 58197163 YUTHYYGRYYZZTL-UHFFFAOYSA-N 322.364 2.724 0 40 DFAB CCc1nc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)sc1C 58183957 BIPWYTZARCBUNT-LBPRGKRZSA-N 321.446 2.601 0 40 DFAB CNC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 3319263 ULGAGGJRYOQXOJ-UHFFFAOYSA-N 308.432 2.737 0 40 DFAB CC(C)Oc1ccccc1CC(=O)NC[C@H](C)N1CCCC1 58263784 HIBYLYUHULBCSC-HNNXBMFYSA-N 304.434 2.617 0 40 DFAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)NC[C@@H]1CCOC1 44953949 WSTZQDDCBBOXJQ-LBPRGKRZSA-N 318.348 2.921 0 40 DFAB CCOc1ncccc1CNC(=O)N[C@H](C)c1ccc(C)o1 44951207 LZGYUDPCHISMKQ-GFCCVEGCSA-N 303.362 2.942 0 40 DFAB O=C(NC1CC1)c1ccc(CNc2cncc(Cl)n2)cc1 58366001 IHTQOACANLDPEY-UHFFFAOYSA-N 302.765 2.634 0 40 DFAB CCN(CC)CCn1cc(NC(=O)c2ccc(C)cc2)cn1 58438513 IAHHVIWYIAYLID-UHFFFAOYSA-N 300.406 2.786 0 40 DFAB Cc1ccc(F)c(C(=O)NCc2nnc(C3CC3)n2C2CC2)c1 97115127 WANARUBLQDBVIP-UHFFFAOYSA-N 314.364 2.868 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1ccc(-c2ccc(F)cc2)o1 45774574 WEMYQJOSHBRCSE-UHFFFAOYSA-N 318.348 2.813 0 40 DFAB O=C(COc1ccccc1)Nc1cccc(CN2CCCC2=O)c1 29286845 KARDWPNBNPIMBM-UHFFFAOYSA-N 324.380 2.827 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 69455120 IGMLRLKPKYAZHI-KGLIPLIRSA-N 320.458 2.520 0 40 DFAB Cc1cc2c(=O)nc(-c3cc(OCC(F)F)ccn3)[nH]c2s1 91516597 AYIAPZRVEYPKRS-UHFFFAOYSA-N 323.324 2.999 0 40 DFAB COC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 4282711 QRCKQKAKRXQMDE-JTQLQIEISA-N 302.326 2.530 0 40 DFAB COc1cc(OC)c(CN[C@@H](C)c2ccccn2)c(OC)c1 8428727 NPAMLJMQWGTBRI-LBPRGKRZSA-N 302.374 2.958 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1cnc(-c2ccccc2F)s1 65443065 GRXAUCGJHVNTGD-UHFFFAOYSA-N 322.361 2.631 0 40 DFAB Cc1nccn1CCCNC(=O)NCC1(c2ccccc2)CC1 65476164 LKGMJFIWEGYETQ-UHFFFAOYSA-N 312.417 2.613 0 40 DFAB Cc1cc(C)cc(OCCN(C)c2nnnn2-c2ccccc2)c1 8745223 XJWMKVJHLFORIV-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)C2CC2)CC1 15009426 KCPMHRYSWBENBA-UHFFFAOYSA-N 320.820 2.605 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccn2C)cc1 4906492 QQKXCMDCBRBZTB-NSHDSACASA-N 303.387 2.742 0 40 DFAB CCOc1cc2c(cc1NC(=O)c1cnc(C)cn1)O[C@H](C)C2 18238157 UPIOIJKAWMABAU-LLVKDONJSA-N 313.357 2.759 0 40 DFAB Cc1ccc2nc(CN(C)Cc3ccc(F)cc3)cc(=O)n2c1 7267415 IPUWZLFEEHSUCI-UHFFFAOYSA-N 311.360 2.774 0 40 DFAB Cc1cc(NC(=O)Cn2ccccc2=O)ccc1Br 8877044 KOAHUNWLUBQNJY-UHFFFAOYSA-N 321.174 2.558 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCCc1ccccc1)c1ccccc1 7609089 GSPOIWPZMZAUKI-SFHVURJKSA-N 310.397 2.613 0 40 DFAB CCc1cccc(NC(=O)COc2ccc(CO)cc2OC)c1 7718635 HVUPBZXEGSNMHL-UHFFFAOYSA-N 315.369 2.767 0 40 DFAB CCn1ccnc(N2CC[C@H](CSc3ccccc3)C2)c1=O 91013250 NWPXMMUKJQPWCB-AWEZNQCLSA-N 315.442 2.882 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2NC1=O 8014289 KOTOLQSGVVGGED-QMMMGPOBSA-N 318.279 2.937 0 40 DFAB CCc1sc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)cc1C 96000738 UFMIAXKIJRLOQH-LLVKDONJSA-N 321.402 2.524 0 40 DFAB c1cc(CN2CC[C@@H]3[C@H]2CCN3CC2CCOCC2)cs1 306125975 DHUZUPDLTNVSTQ-IAGOWNOFSA-N 306.475 2.823 0 40 DFAB Cc1ccc(O)c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1 9447287 OJZATHWKDLYPRI-UHFFFAOYSA-N 316.332 2.550 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@@H](C)c1c(F)cccc1OC 96425698 YGFHQQCSFUCPHF-NSHDSACASA-N 305.353 2.850 0 40 DFAB CCc1cnc(CN(C)C(=O)Nc2nnc(CC)s2)s1 96447134 PUXXDONELUWVLI-UHFFFAOYSA-N 311.436 2.783 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)COCCC(C)C)c1 71866059 AXDMOYHRLYYATE-MRXNPFEDSA-N 307.438 2.635 0 40 DFAB C[C@@H](Oc1cccc2cccnc12)C(=O)NC(=O)NC(C)(C)C 9690011 JAMWYXNKCWRABZ-LLVKDONJSA-N 315.373 2.626 0 40 DFAB CC(C)(C)c1cnc(CN2c3ccccc3CS2(=O)=O)o1 95463000 IEPGLEGANZPJQE-UHFFFAOYSA-N 306.387 2.822 0 40 DFAB CN[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 94596950 RZPHAXSZKYXYPT-SNVBAGLBSA-N 304.287 2.669 0 40 DFAB CCC[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccon1 95402879 QOGDAMNLGYLGBG-MRXNPFEDSA-N 320.414 2.904 0 40 DFAB Cn1cc(NC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)n1 95942278 FKJMLJWUJBICBS-UHFFFAOYSA-N 310.279 2.987 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)c2cccc(N(C)C)c2)o1 89652832 KKQQTPDYERIFIF-MRXNPFEDSA-N 314.385 2.868 0 40 DFAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1ccc(F)cc1 89894955 MJGJEIDBSJGMIR-CXAGYDPISA-N 301.361 2.997 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCc1ccccn1 89941197 FPCYSBXMLKRJHA-HNNXBMFYSA-N 324.428 2.674 0 40 DFAB Cc1ccc(C(=O)N[C@@H](O)C(=O)c2ccc(Cl)cc2)cc1 26770570 YLJWEBHCGBGROV-INIZCTEOSA-N 303.745 2.580 0 40 DFAB Cc1cc(=O)c(OCC(=O)Nc2cccc3cccnc23)co1 524735435 CCVARPQDNIYEMX-UHFFFAOYSA-N 310.309 2.514 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c1C 72239103 AXMZRMPZHOVCHA-UHFFFAOYSA-N 315.345 2.599 0 40 DFAB CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 78987740 QEOQBLWSBBZALB-STQMWFEESA-N 314.495 2.671 0 40 DFAB Cc1nc([C@H]2CCCN(c3ncnc4sccc34)C2)no1 72279220 AYLBLWJTQGDTRX-JTQLQIEISA-N 301.375 2.767 0 40 DFAB Cc1ccnc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)c1 226747735 LOSNASGYFVKWOM-OAHLLOKOSA-N 301.371 2.973 0 40 DFAB CC(C)c1cc(C(=O)NC(C)(C)CC(N)=O)c2ccccc2n1 193191434 MTPJAHVOUVLLLD-UHFFFAOYSA-N 313.401 2.742 0 40 DFAB CC(=O)NC1CCC(NC[C@H]2CCc3ccccc3C2)CC1 225420821 XGXNATLNSHAMAK-MNNVXMFVSA-N 300.446 2.828 0 40 DFAB COC[C@@H](C)N[C@H](c1ccc(Cl)c(F)c1)c1noc(C)n1 195566405 DMAJMAKBKSOHLH-AMIZOPFISA-N 313.760 2.884 0 40 DFAB CCCC[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2F)CC1 225689156 BPXALZNLDVIPHU-AWEZNQCLSA-N 320.408 2.936 0 40 DFAB Nc1nc(CN2CCC[C@H](c3ccncc3)C2)nc2ccccc12 575603527 QTLHOGBECGNJRT-HNNXBMFYSA-N 319.412 2.987 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@H]1CO 96435035 DWGUBSNPPLBQSJ-JQWIXIFHSA-N 311.813 2.689 0 40 DFAB Cc1cc(NC(=O)c2nnn(Cc3ccccc3)c2Cl)no1 96183430 NDCIEHSAZRWBBE-UHFFFAOYSA-N 317.736 2.529 0 40 DFAB C[C@@]12CC[C@@H]3[C@H]([C@@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 96031058 OLPSAOWBSPXZEA-WVYXEVCUSA-N 304.430 2.850 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 96461767 MOEHJDPUNCEXIP-HNNXBMFYSA-N 307.419 2.661 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)NCc1ccc2c(c1)CCC2 96408752 QAKJNJWOQWBKPD-QFIPXVFZSA-N 322.474 2.522 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)N(C)CC2CC(O)C2)C12CCCCC2 97104725 UHCIJEGRNISLIA-CKUJCDMFSA-N 324.465 2.527 0 40 DFAB CSC[C@@H](C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451325 GFFHZVPPCUQOHR-LLVKDONJSA-N 302.399 2.727 0 40 DFAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3scnc3C)O2)n1 96041075 KXEYGHPFTQHHIC-JHJVBQTASA-N 320.418 2.638 0 40 DFAB COc1ccc(CCNCc2ccnn2CC(C)C)cc1OC 256054385 WAWMDRSKHAYLPQ-UHFFFAOYSA-N 317.433 2.889 0 40 DFAB Cc1cn2c([C@@H]3CCCN3C(=O)Cc3cccnc3)cccc2n1 257277722 NZCXPGUSIOTYHN-INIZCTEOSA-N 320.396 2.944 0 40 DFAB CCCn1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)n1 257259109 KWWJTQZNCLYZCJ-UHFFFAOYSA-N 312.417 2.783 0 40 DFAB C[C@](O)(CNc1ncc(Br)cn1)c1cccs1 265809872 LPRSAOLBPVACEZ-NSHDSACASA-N 314.208 2.620 0 40 DFAB CC(C)(C)c1nc(C(=O)NCc2nnc(C3CC3)o2)cs1 281695375 VPYNGIDNMGAOKJ-UHFFFAOYSA-N 306.391 2.631 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)nc1 44896684 DISHFLXPGWFXBM-OAHLLOKOSA-N 320.352 2.521 0 40 DFAB COC(=O)Nc1cccc(NC(=O)NCc2ccccn2)c1 47710732 LXKOZBSWPFMHNP-UHFFFAOYSA-N 300.318 2.582 0 40 DFAB COc1ccsc1C(=O)Oc1ccc(-n2cncn2)cc1 76018392 GLBLVUZYIJCZBX-UHFFFAOYSA-N 301.327 2.557 0 40 DFAB CCC1(CC)[C@@H](N(C)C(=O)N[C@H](C)c2cnn(C)c2)C[C@H]1OC 108117540 XRVDOFSSEDIHKU-VHDGCEQUSA-N 322.453 2.716 0 40 DFAB CCOc1cccc(NCc2cn(C)nc2-c2cccnc2)n1 89270001 FLJJTYPOHFONMT-UHFFFAOYSA-N 309.373 2.888 0 40 DFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C)o2)C1=O 7078100 HLGLRTOPDFBKDY-SZUMLMDFSA-N 323.370 2.966 0 40 DFAB COc1ccc(CNC(=O)COc2cccc(C(C)=O)c2)cc1 5680774 GXMPDSRIRXTDFE-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB COc1ccc(C)cc1NC(=O)COc1ccc(C(=O)O)cc1 13079770 GLCNGTQAHWOVQK-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB C[C@H]([C@H](C(=O)N1CCCCC1)N1CCCCC1)N1CCCCC1 19366254 ADKFLHVQVMGMJD-QZTJIDSGSA-N 321.509 2.728 0 40 DFAB COc1ccc(NC2=NCCC(=O)N2Cc2cccs2)cc1 19556687 XMLIOQHYVGURHF-UHFFFAOYSA-N 315.398 2.957 0 40 DFAB O=C(NCCCN1CCN(c2ccccc2)CC1)C1CCCC1 11853301 UOYCZZMARMEEGC-UHFFFAOYSA-N 315.461 2.505 0 40 DFAB CCC(CC)C(=O)N1CCC(Oc2ncc(Cl)cn2)CC1 1888843098 GMBWGLLTNVHKDB-UHFFFAOYSA-N 311.813 2.936 0 40 DFAB COc1ccc2nc(N3CC(Cn4ccnc4C)C3)sc2c1 1889168610 KACCNOPEUZTVGW-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB O=c1c(=O)n(-c2ccc(F)c(Cl)c2)ccn1CC1CCC1 2086945995 ZLOQIAWIBDNYON-UHFFFAOYSA-N 308.740 2.592 0 40 DFAB C[C@H]1CN(C[C@H](O)COc2cccc3ccccc23)C[C@@H](C)O1 17246996 FUDPJBJZLBBXRV-UXLLHSPISA-N 315.413 2.689 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCc2ccccc2C1 30981225 DECLSFDIILAJTQ-MRXNPFEDSA-N 324.380 2.594 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)c1c(F)cccc1Cl 40489047 MMWJWEWJXZGSOI-UHFFFAOYSA-N 322.771 2.727 0 40 DFAB CC(C)(C)C(=O)Cn1nnnc1-c1ccc(Br)cc1 8297654 KDSMFQAEMNISJU-UHFFFAOYSA-N 323.194 2.718 0 40 DFAB Cc1cc2sc(NC(=O)CCCNC(=O)C3CC3)nc2s1 81838007 OOQZTAVMBJFLPU-UHFFFAOYSA-N 323.443 2.911 0 40 DFAB CC(C)c1nc(CC(=O)NCc2ccnc(N(C)C)c2)cs1 32664701 KNMFGTSVBLCDFQ-UHFFFAOYSA-N 318.446 2.586 0 40 DFAB O=C(c1nccc2ccccc12)N1CCC[C@H](N2CCCC2)C1 69347871 PHYWBJPNEIKPBU-INIZCTEOSA-N 309.413 2.935 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1 21506568 PJOURFSUIKLILD-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525122 YDAPLKNTHJCXON-AWEZNQCLSA-N 319.386 2.510 0 40 DFAB COC[C@H]1CCCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)C1 84157131 SKSKKGRAUAHHAC-HOTGVXAUSA-N 320.433 2.830 0 40 DFAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@]1(O)C(=O)Nc2ccccc21 408314 CLQDQNKSWUZURA-DYZYQPBXSA-N 315.756 2.999 0 40 DFAB C[C@@H](CNC(=O)Cc1cccc(F)c1)N1CCc2ccccc21 33055759 JJWXHOBUANQPBG-AWEZNQCLSA-N 312.388 2.936 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(c2ccccc2)=NO1 33149513 GXXKWUBLWYGWAI-GFCCVEGCSA-N 314.370 2.547 0 40 DFAB Cc1cc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 41462178 ZYRAECLJBTZUBR-UHFFFAOYSA-N 314.389 2.954 0 40 DFAB O=C(C[C@@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 46763877 FEMXKMPJVVXEOW-GJZGRUSLSA-N 317.385 2.690 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ncccc2C)n1 47096637 MBYHRLPUEYMKJA-LLVKDONJSA-N 301.394 2.661 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1 57327753 FXLRGOQMUZDKLA-ZETCQYMHSA-N 318.156 2.615 0 40 DFAB CSc1n[nH]c2nc3sc4c(c3c(=O)n12)CCCCC4 101667509 CNNIOAWBWSHSNF-UHFFFAOYSA-N 306.416 2.623 0 40 DFAB O=C(Nc1ccncc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23021134 BLDPFYIQRLMEFH-GFCCVEGCSA-N 315.398 2.634 0 40 DFAB CC(=O)NCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 25270172 FMIRSSONSOOWMR-UHFFFAOYSA-N 323.824 2.795 0 40 DFAB C[C@@H]1CN([C@H](C)CNc2ncnc3ccsc23)C[C@@H](C)O1 25501469 BQXHXBYHSLZQQM-IJLUTSLNSA-N 306.435 2.601 0 40 DFAB C[C@H](c1ccco1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1 56182159 NUHFGJQKJIWSCF-GFCCVEGCSA-N 323.356 2.621 0 40 DFAB COCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 1832360 NAXFJMLGJUBBEL-UHFFFAOYSA-N 303.753 2.527 0 40 DFAB CCCCOc1ncc(I)cc1C(=O)O 35812238 GODXSVXXWPBSEV-UHFFFAOYSA-N 321.114 2.563 0 40 DFAB COc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1 10113721 SNCIKBSXXFQGNA-UHFFFAOYSA-N 310.397 2.878 0 40 DFAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1Cn1cccn1 69923526 QFQCHXLCOKCSMS-LBPRGKRZSA-N 307.756 2.980 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1ccc(Cl)s1 44969781 LIAFXOCZIKFJCN-JTQLQIEISA-N 312.826 2.828 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2cc(C)on2)cc1OC 44972080 BERRNJCNZGGIKX-SNVBAGLBSA-N 305.334 2.883 0 40 DFAB C[C@H]1CN(C(=O)c2cccnc2S)C[C@H](c2ccccc2)O1 58404356 XYDTWBBNCSDAHI-SWLSCSKDSA-N 314.410 2.973 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 3300999 FTXWMCVZCMDTAO-GFCCVEGCSA-N 303.383 2.929 0 40 DFAB Cn1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1=O 48383417 ZPNGNPJCEJDPQG-UHFFFAOYSA-N 309.369 2.828 0 40 DFAB CC(=O)Nc1ccc(OC(=O)c2ccc([S@](C)=O)cc2)cc1 48374697 RETFLKXUJGFYMT-JOCHJYFZSA-N 317.366 2.602 0 40 DFAB COc1ccc(Nc2nnc(S[C@H]3CCOC3=O)s2)cc1 3447462 YTAQLBJQTSXIBE-JTQLQIEISA-N 323.399 2.698 0 40 DFAB CCOc1ncccc1C(=O)NCCc1c[nH]c2ccccc12 3452422 IPCNOCRVRHYBLH-UHFFFAOYSA-N 309.369 2.934 0 40 DFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 3581348 SKHFWRHTZVQMCT-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)C2(C)CCCC2)c1 69414503 OZOSIUUTCFUXBE-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc2ncccc12 8734510 LFBLMIPZZXBFED-UHFFFAOYSA-N 319.320 2.781 0 40 DFAB O=C(Cn1cncn1)Nc1cccc(Cl)c1SC(F)F 69520032 BMTGVJQILJPYQO-UHFFFAOYSA-N 318.736 2.885 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 4157334 HACGAUBPDCHCOP-OSRDXIQISA-N 301.342 2.575 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccn1)c1ccc2c(c1)OCCO2 17368009 XOYFUUJWJODEGO-KRWDZBQOSA-N 312.369 2.980 0 40 DFAB C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(=O)N(C)C 69653734 ZDTBXVNUFROTEZ-LBPRGKRZSA-N 321.384 2.580 0 40 DFAB CCc1ncc(C(=O)NCCn2c(C)nc3ccccc32)s1 65105491 PVCGTAFNGUWHCZ-UHFFFAOYSA-N 314.414 2.794 0 40 DFAB CC(C)N(C(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 6290256 OUZMQYPSOXKZGB-UHFFFAOYSA-N 312.369 2.606 0 40 DFAB CCN(C(=O)Nc1ccccc1CC(=O)NC)[C@H](C)C(C)C 65361114 BWKUEAXQWXWSQE-CYBMUJFWSA-N 305.422 2.873 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccncc1 69740301 DQFGCWUWBBMXEB-HOTGVXAUSA-N 311.385 2.788 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 5275515 YJDQQCHZOSGEJM-BLTAXRJOSA-N 323.270 2.538 0 40 DFAB O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)C1CC1 14183680 SJIQCTUECHQCFC-UHFFFAOYSA-N 324.359 2.762 0 40 DFAB CN(CC(=O)Nc1cccc(F)c1)c1ncnc2ccccc12 14142085 AQOUBFYPNGLDAE-UHFFFAOYSA-N 310.332 2.844 0 40 DFAB CSc1ccc(CN(C)C(=O)[C@@H](NC(C)=O)C(C)C)cc1 17972112 XZQVNFAROXHJCE-HNNXBMFYSA-N 308.447 2.528 0 40 DFAB CCOC(=O)[C@@]12CC[C@@H](O)C[C@@H]1CCN(Cc1ccccc1)C2 6697773 DKADCGQBXOFPPY-YQVWRLOYSA-N 317.429 2.603 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1F 5634370 CNPPXXQCQLHKHW-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB O=C(CNc1nc(-c2ccccc2)nc2ccccc12)NC1CC1 8852486 MYHSEZVYSKQJOF-UHFFFAOYSA-N 318.380 2.987 0 40 DFAB COc1ccc(F)cc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 80717746 WKNUVIJFFXRKSG-AGUYFDCRSA-N 306.381 2.579 0 40 DFAB COc1cc(C(=O)N2CCC2)ccc1OCc1c(C)noc1C 16061765 PNZCHWWRKGIRSB-UHFFFAOYSA-N 316.357 2.725 0 40 DFAB Cc1ccnc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 27970516 DEAHYLGLCZVSDD-UHFFFAOYSA-N 321.384 2.899 0 40 DFAB Cc1cc([C@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)n[nH]1 84111215 YLIOMTWHWXFOJR-NYHFZMIOSA-N 317.458 2.705 0 40 DFAB C[C@@H](c1ccccc1F)[S@](=O)Cc1nsc(N(C)C)n1 97080217 NBRBCQLNAVJXFT-LXGOIASLSA-N 313.423 2.753 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 67617570 ZBVUCNCBESZPRB-AWEZNQCLSA-N 308.809 2.813 0 40 DFAB CCc1ccc([C@H](C)NC(=O)NCCc2nc(C)no2)cc1 71792641 FLGAVQNCIWDGAO-NSHDSACASA-N 302.378 2.543 0 40 DFAB CCOc1ccc2cc(C(=O)N3CCOCC3(C)C)[nH]c2c1 71836518 YJDJJWAIYZSQOX-UHFFFAOYSA-N 302.374 2.818 0 40 DFAB C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)Cn1cccn1 71821591 DJHNJNWAHVDVTL-ZDUSSCGKSA-N 301.365 2.506 0 40 DFAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCc2c(Cl)cccc21 71837159 LCTPDXDVQWLOBS-QGZVFWFLSA-N 319.836 2.923 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)COC2CCCCC2)c1 71865938 YDHYUAXDWQFVHC-INIZCTEOSA-N 319.449 2.922 0 40 DFAB COc1cc(CC(=O)Nc2ncccc2C)cc(OC)c1OC 9835509 NDBZIAQFHWHBPK-UHFFFAOYSA-N 316.357 2.597 0 40 DFAB CC(C)N(CCO)C(=O)Nc1nnc(/C=C/c2ccco2)s1 97113523 CEIVEQXGSITWPZ-AATRIKPKSA-N 322.390 2.536 0 40 DFAB CCn1cc(N[C@H](C)C(=O)N2CCSc3ccccc32)cn1 97139844 BVCOWPSWKYMSQE-GFCCVEGCSA-N 316.430 2.842 0 40 DFAB O=C(c1ncoc1-c1ccccc1)N1CCCC[C@H](CO)C1 95430143 GOCPXMOWDCLYFH-ZDUSSCGKSA-N 300.358 2.576 0 40 DFAB COc1ccc(OC(=O)c2ccn(C)c(=O)c2)c2ccccc12 95405044 RWOLJOCEJLALNV-UHFFFAOYSA-N 309.321 2.766 0 40 DFAB CCONC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 95971260 JXRMHXWACWZZSL-CQSZACIVSA-N 320.389 2.589 0 40 DFAB CC[C@H](C(=O)N[C@@H]1CCCc2ccc(F)cc21)N1CCCC1=O 89392986 KALMVMQJPLEUGC-HZPDHXFCSA-N 318.392 2.720 0 40 DFAB NC(=O)C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 75109236 NWCGFGQPEHHBBM-JTQLQIEISA-N 316.188 2.769 0 40 DFAB Cc1nnc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)s1 89740819 ZUUMVQWVYMDPFS-LDYMZIIASA-N 324.431 2.902 0 40 DFAB c1ccc(-c2nccc(N3CCCC[C@@H]3Cn3cncn3)n2)cc1 89851382 RANDKBKJVYOGBU-MRXNPFEDSA-N 320.400 2.794 0 40 DFAB COc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1Br 89904531 LCAOKZDENVQMMB-MRVPVSSYSA-N 324.178 2.672 0 40 DFAB CC(C)OC1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 550804710 OEAUCFZFOWUAPE-OAHLLOKOSA-N 303.402 2.838 0 40 DFAB CC1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)CC1 408706990 HDHMXNNOLCUZHE-NPCAHTBFSA-N 302.418 2.601 0 40 DFAB CCOC(=O)c1cn(CC)c2cc(Br)ccc2c1=O 34384158 YXEBMMDKOMQGBU-UHFFFAOYSA-N 324.174 2.961 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCCN2C 121202344 CANVXBKMIWWNQC-SNVBAGLBSA-N 316.323 2.975 0 40 DFAB CCn1cc(NS(=O)(=O)c2cccc(COC(C)C)c2)cn1 72265384 HSWSZFHHSBARFA-UHFFFAOYSA-N 323.418 2.629 0 40 DFAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1 71979695 ROZGMKQMDMNTFU-ZDUSSCGKSA-N 323.776 2.926 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)c2nnnn2C2CCCCC2)n1 188840632 XZEVOCFZNUOIEG-JTQLQIEISA-N 319.438 2.712 0 40 DFAB CC(=O)N1CCN(c2ccccc2CNCc2ccccc2)CC1 78394293 WXJYCGQOUHGTGQ-UHFFFAOYSA-N 323.440 2.645 0 40 DFAB CCOC(=O)c1cnc(Br)cc1Br 71257004 JEJKXZZBGKWACN-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB C[C@H](Nc1ncnc2c1cnn2-c1ccccn1)c1ccccn1 46088332 LBUKROWSPNWLJT-LBPRGKRZSA-N 317.356 2.779 0 40 DFAB O=C(NCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 573778302 UKMHSYZWQMEKMU-QGZVFWFLSA-N 312.413 2.657 0 40 DFAB C[C@H]1CCn2ncc(C(=O)Nc3nnc(C(F)F)s3)c2C1 567926012 ZQVXISXKRQCUHV-LURJTMIESA-N 313.333 2.507 0 40 DFAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 225726852 MNUGUFJSHSHOCG-UHFFFAOYSA-N 308.422 2.771 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(OC)c2)cc1 224583426 TUIWNUQRWNOPSP-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2CCCC[C@@H]2C)n1 225886684 SSEOSZUPOZUIIW-LBPRGKRZSA-N 307.467 2.860 0 40 DFAB COCCNC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1 225422722 VZKGOAAONLHNCX-UHFFFAOYSA-N 303.337 2.528 0 40 DFAB COc1ccc(Br)cc1S[C@@H]1CCN(C)C1=O 96422258 GNOHGIIMDMWKCD-SNVBAGLBSA-N 316.220 2.781 0 40 DFAB CCOC(=O)c1nn(C2CCCCC2)c(N)c1Br 95094695 WMDQWCDNFQUESY-UHFFFAOYSA-N 316.199 2.910 0 40 DFAB CCOC(=O)CCOc1cc(Br)ccc1OC 95738556 SEKWYUKNKFRYHK-UHFFFAOYSA-N 303.152 2.790 0 40 DFAB CC(C)C(=O)N1CCC[C@@]12CCCN(C(=O)c1ccccc1)C2 96214524 KZRXZYBGGRAGAC-LJQANCHMSA-N 314.429 2.940 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@H]1C[C@@H]2C=C[C@H]1C2 96404901 YGAUOQWWEWHPFY-XBFCOCLRSA-N 321.384 2.690 0 40 DFAB O=C(Nc1ccc(-c2nccn2C(F)F)cc1)N1CC[C@H](O)C1 97085219 BXUDTYNKRJRSKO-LBPRGKRZSA-N 322.315 2.544 0 40 DFAB CC1CCN(C(=O)C[S@](=O)Cc2ccc3c(c2)CCC3)CC1 96448125 JEFWBFCXXZTKHR-QFIPXVFZSA-N 319.470 2.683 0 40 DFAB C[C@@H](NCCCO[C@H]1CCOC1)c1cc(F)c(F)c(F)c1 96479313 IKENFGXWHJDCTO-PWSUYJOCSA-N 303.324 2.950 0 40 DFAB COc1c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c(C)nn1C 96446365 SFSZWGSWSRTFCV-VXGBXAGGSA-N 301.390 2.659 0 40 DFAB COCCN(C)C(=O)c1cnc(-c2noc3ccccc23)s1 96266572 CPUQTDJUVPUWTP-UHFFFAOYSA-N 317.370 2.670 0 40 DFAB CCn1nc(C)c2nnn(Cc3cccc4ccccc34)c(=O)c21 96182354 RDWGTQAFRARNTD-UHFFFAOYSA-N 319.368 2.518 0 40 DFAB O=C(NCCCSc1ncnc2ccccc12)C(F)(F)F 96481308 RVPRVQWJHFHKPZ-UHFFFAOYSA-N 315.320 2.791 0 40 DFAB COCC[C@@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220219 IQUIUEPQJXYQPC-HNNXBMFYSA-N 323.458 2.725 0 40 DFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CCC[C@H]21 247726250 COXJSROLWFFOKN-RQJABVFESA-N 313.319 2.901 0 40 DFAB Cc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 252515670 MMHQUHAESAWLPK-IKGGRYGDSA-N 301.411 2.570 0 40 DFAB O=C1CCC[C@]2(CN(Cc3ccccn3)C[C@H]2c2ccccc2)N1 257263883 LRWCPRJBRHYBKN-AZUAARDMSA-N 321.424 2.720 0 40 DFAB Cc1cc2nccc(C3CCN([C@H]4CCCOCC4)CC3)n2n1 257205254 AYFVTASIQDZFQL-INIZCTEOSA-N 314.433 2.786 0 40 DFAB C1CO[C@@H]2CCN(CC3CCOCC3)C[C@@]2(COCC2CC2)C1 253595466 DVKOINZEOMRZBI-RTBURBONSA-N 323.477 2.711 0 40 DFAB COC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1cccc(O)c1OC2(C)C 257207294 BHDBQECRWYOXRK-IFUGULHKSA-N 306.358 2.963 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@H]1c1ccnc(O)n1 257276164 NSPGLOVKGHGLJT-ZDUSSCGKSA-N 303.387 2.540 0 40 DFAB CC[C@H](Cc1ccc(NS(=O)(=O)c2ccco2)cc1)C(=O)O 390833970 PPUGYZNCJIOZMZ-GFCCVEGCSA-N 323.370 2.734 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)/C=C/c2ccc(C)o2)C1 71185476 PSOHMIIJEUQUTP-BOLDSZDNSA-N 318.417 2.756 0 40 DFAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)CCc1ccccc1Cl 76019125 GCLCGBITLQNXST-TZMCWYRMSA-N 309.793 2.731 0 40 DFAB O=c1nc(NCCc2ccccc2)[nH]nc1-c1ccc(F)cc1 5154656 KWAOPCXTCGVRJF-UHFFFAOYSA-N 310.332 2.626 0 40 DFAB CCn1cc(CN(CCN(C)C)Cc2cccs2)c(C)n1 19524501 LLYJHDLFCGYXRM-UHFFFAOYSA-N 306.479 2.837 0 40 DFAB CC(C)n1cccc1C(=O)O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 156319746 KQKQSSIJMSURGT-QWHCGFSZSA-N 313.419 2.582 0 40 DFAB COc1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1OC 7002447 DPYANATXGFARKX-HNNXBMFYSA-N 312.325 2.836 0 40 DFAB CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(Cl)ccc21 11695120 XYLMQEAWDCDWKM-SAPNQHFASA-N 320.805 2.851 0 40 DFAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1 11901896 FKJQMBZOYDTBGP-UHFFFAOYSA-N 323.364 2.975 0 40 DFAB O=C1CCc2cc(NC(=O)NCc3cccs3)ccc2N1 22507032 HUJLLAGAPMLYCS-UHFFFAOYSA-N 301.371 2.955 0 40 DFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1 22765949 WMXQYHLPFRKLTG-INIZCTEOSA-N 316.426 2.551 0 40 DFAB CCOc1ccccc1NC(=O)NC[C@](C)(O)Cc1ccco1 206623185 PJLYUUVXLZSLCZ-QGZVFWFLSA-N 318.373 2.794 0 40 DFAB O=C(COc1ccccc1F)NCC[C@@H](O)c1cccs1 77113639 CZXFQAWEGLPQDH-GFCCVEGCSA-N 309.362 2.506 0 40 DFAB CC(=O)Nc1nc(C(=O)NCCc2ccc(Cl)cc2)cs1 31780883 SEDSIIRNGTYPLI-UHFFFAOYSA-N 323.805 2.727 0 40 DFAB COc1ccc(OCCN(C)C(=O)c2scnc2C)cc1 40529714 AGPAVIHUCMNNOF-UHFFFAOYSA-N 306.387 2.611 0 40 DFAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cn2)c1 101594480 IYXDDDADSZHVFR-IRXDYDNUSA-N 323.396 2.919 0 40 DFAB CC(C)C1=NN(C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 248831 UPXCUXHYFTZMNP-ZDUSSCGKSA-N 300.280 2.795 0 40 DFAB COc1ccccc1NC(=O)CSc1ncccc1C(=O)O 415182 OBCGUVJSZXSSBT-UHFFFAOYSA-N 318.354 2.519 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(CC3CCCC3)[nH]2)no1 11884542 VXEGJHYASJBFBX-UHFFFAOYSA-N 321.406 2.565 0 40 DFAB CCN1CCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 2615760 WPRDWKHPBFSNFQ-LBPRGKRZSA-N 316.474 2.958 0 40 DFAB CCCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1C 4878370 VVAATYRYHFSJAX-VXGBXAGGSA-N 310.467 2.649 0 40 DFAB O=C(c1cccnc1Cl)N1CCN(c2ccccc2)CC1 480127 ZICQWVVGTVYKTN-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB COc1cccc(NC(=O)NCc2cn3c(C)cccc3n2)c1 69037515 LNINCTDQHLCMCH-UHFFFAOYSA-N 310.357 2.973 0 40 DFAB Cc1ccc(C(=O)OCc2cccc(F)c2)cc1S(C)(=O)=O 53899737 PMUFOXQULAZUBP-UHFFFAOYSA-N 322.357 2.895 0 40 DFAB CNc1snc(C)c1C(=O)OCc1cc(C(=O)OC)c(C)o1 8132205 VJTSPHSEWBFKBZ-UHFFFAOYSA-N 324.358 2.538 0 40 DFAB CCC(CC)C(=O)NCCn1nc(-c2cccs2)ccc1=O 8954831 CBOCAPUSJUOOAN-UHFFFAOYSA-N 319.430 2.524 0 40 DFAB CCC(=O)OCC(=O)Nc1c(F)cc(F)cc1Br 9683955 MUXDWNMUISRINE-UHFFFAOYSA-N 322.105 2.619 0 40 DFAB CN1CCC(CNC(=O)c2ccccc2Br)CC1 23013714 YKUQIEOHCQCXQV-UHFFFAOYSA-N 311.223 2.521 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)OC1 103835386 RBBMFNUYYFVJMI-RBSFLKMASA-N 307.434 2.814 0 40 DFAB CNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400089 DASWXSVFGUGJRI-UHFFFAOYSA-N 311.168 2.563 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@@H]2CC=CCC2)N(C)C)cc1 25714883 RKAMGOASLQKUKJ-WBVHZDCISA-N 302.418 2.770 0 40 DFAB CC(=O)C1=NN(c2ccc(Cl)cc2)C[C@H]1C(=O)OCC(C)C 59416386 OYCLQHNKAAXNGH-CQSZACIVSA-N 322.792 2.920 0 40 DFAB COc1ccc(CCNC(=S)NCc2cccs2)cc1 3285367 CXBRZCXMITVRLC-UHFFFAOYSA-N 306.456 2.964 0 40 DFAB CCc1n[nH]c(SCc2ccn(-c3cccc(F)c3)n2)n1 58227636 KMVDPJJOWGPDDY-UHFFFAOYSA-N 303.366 2.984 0 40 DFAB O=C(COc1ccccc1)NCCc1ccn(-c2ccccc2)n1 58209857 VJXSAKUWKLOBRZ-UHFFFAOYSA-N 321.380 2.610 0 40 DFAB Cc1cccnc1NC(=O)Nc1ccn(Cc2ccncc2)n1 58244242 IVQRXIOGOSYQEJ-UHFFFAOYSA-N 308.345 2.674 0 40 DFAB Cc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)c3ccccc3N2C)o1 11034589 UFKLKARRHSZVOF-MRXNPFEDSA-N 308.341 2.857 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)no1 48139523 RCUUIHFVXLBZKX-ZDUSSCGKSA-N 318.377 2.786 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)Nc2ncccc2O)cc1 48268747 NVZHQUQLVOXELW-JTQLQIEISA-N 304.371 2.915 0 40 DFAB CC(C)CC[C@H](C)NC(=O)Nc1ccc(-n2cnnn2)cc1 48310946 HTHPYFYFBDGYTH-LBPRGKRZSA-N 302.382 2.609 0 40 DFAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C2CC2)CC1 48375429 PCWLPCNFNWGAGU-UHFFFAOYSA-N 311.429 2.797 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1cccnc1)c1cccs1 48310026 ZOLMPKGZYDJERJ-RISCZKNCSA-N 317.414 2.588 0 40 DFAB CCONC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC 22874676 DUANUIWDGBOHNK-ZWNOBZJWSA-N 312.797 2.552 0 40 DFAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c1O 12904277 BCFZWVHJHNBHMG-NSHDSACASA-N 315.325 2.585 0 40 DFAB CC(=O)N1CCN(Cc2coc(-c3ccc(C)cc3C)n2)CC1 13013122 TTWDBNVLNDQXTH-UHFFFAOYSA-N 313.401 2.623 0 40 DFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 69417496 VIOVVNMNWZVRKY-UHFFFAOYSA-N 319.364 2.927 0 40 DFAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)c1 64982488 RJUSQQMOYRZRNE-CYBMUJFWSA-N 312.369 2.808 0 40 DFAB CCCN1CCn2c(nc3cc(NC(=O)C(C)C)ccc32)C1 13729460 ZZBNHUCGVIEELL-UHFFFAOYSA-N 300.406 2.856 0 40 DFAB CCOC(=O)[C@](F)(Cl)c1cc(CO)c(F)c(F)c1F 4474919 ILEADHSXIXNZBF-NSHDSACASA-N 300.635 2.520 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCCC[C@@H]1C1OCCO1 69569909 MQKSLBRDARMUET-MRXNPFEDSA-N 301.386 2.543 0 40 DFAB COc1cccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c1 14094857 XJAGSRJOMQNERD-UHFFFAOYSA-N 319.744 2.971 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O 5529988 YLTCTXBDDHSLCS-UWVPOSKDSA-N 304.430 2.852 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc2ccc(C)cc2s1)C(C)C 8778107 FZZIERMQLHODBI-CYBMUJFWSA-N 305.403 2.704 0 40 DFAB CCN(CC)CC(=O)Nc1cccc(Cn2nc(C)cc2C)c1 66426090 QEWJKIWIFYTXSR-UHFFFAOYSA-N 314.433 2.829 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1 8896191 QMVUAJCGVNGEPK-OAHLLOKOSA-N 324.471 2.638 0 40 DFAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccccc1F 7192954 CIQFOWIGEWZINN-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB O=C(O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 8855819 BBJCDSQMEHEMLJ-UHFFFAOYSA-N 320.308 2.833 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Cc1coc2cc(CC)ccc12 7627734 DZKYZGHXVHTKAN-GFCCVEGCSA-N 316.401 2.569 0 40 DFAB O=C(C[C@H]1CCCO1)NCCCOc1cccc2cccnc12 68390777 HKODXJBBYFUQCP-OAHLLOKOSA-N 314.385 2.689 0 40 DFAB C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 8990939 GDMNNJXXOMAFRZ-HOCLYGCPSA-N 310.401 2.570 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N3C[C@H](C)S[C@@H](C)C3)ccc21 80959554 CCTTXNDRUYXXRL-RYUDHWBXSA-N 318.442 2.562 0 40 DFAB CCCNC(=O)CNC1(c2ccccc2Br)CC1 97033638 RNUMHQBMBPOOSG-UHFFFAOYSA-N 311.223 2.554 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CC[C@H](C(=O)O)C1 97039312 HTDRUJGQDVFAKO-QWRGUYRKSA-N 315.291 2.617 0 40 DFAB CC(=O)N[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1 9455966 JWRHGDLCIQAWKS-QGZVFWFLSA-N 308.381 2.843 0 40 DFAB Cc1cnn(C[C@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71874997 HRCCKZHNMRFOSV-HNNXBMFYSA-N 307.401 2.827 0 40 DFAB O=C(NCc1cc[nH]n1)[C@H]1C[C@@H]1c1cccc(Br)c1 71846799 GSWMOBWCKXEFFG-OLZOCXBDSA-N 320.190 2.592 0 40 DFAB Cc1ccccc1[C@@H](C)CC(=O)NCCCn1ccccc1=O 71909364 UXMKZGPBIXDNIY-INIZCTEOSA-N 312.413 2.857 0 40 DFAB c1coc(-c2nnc(CSc3nnnn3C3CCCC3)o2)c1 9836380 GVXCRCJSZAZXLB-UHFFFAOYSA-N 318.362 2.724 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NC2CCN(C)CC2)C12CCCCC2 78829601 QMMHDSZQZOTIBY-CVEARBPZSA-N 323.481 2.508 0 40 DFAB C[C@H](c1cccc2ccccc12)N(C)C(=O)c1cnn(C)c1N 97114620 KRBGTKUHHVHYGA-GFCCVEGCSA-N 308.385 2.989 0 40 DFAB C[C@H](NCc1nc(-c2ccco2)no1)[C@@H]1COc2ccccc21 97112645 QDODUDGYTATAPB-AAEUAGOBSA-N 311.341 2.984 0 40 DFAB Cn1cc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cn1 97107703 QLZZCWXUUWBCGD-LLVKDONJSA-N 319.233 2.732 0 40 DFAB CC(C)Cn1ncnc1COC(=O)c1cccc2ncccc12 97374294 NVRKOKAOFVEKPR-UHFFFAOYSA-N 310.357 2.839 0 40 DFAB Cc1nc(NC(=O)c2cc(Br)cn2C(C)C)n[nH]1 78932479 ICLLQYXPUAFRFT-UHFFFAOYSA-N 312.171 2.510 0 40 DFAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1n[nH]c2ccccc12 79487818 BPURHIXJJJIFFR-UHFFFAOYSA-N 304.313 2.600 0 40 DFAB COC[C@H](O)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 95972316 ZYTXSKFZWRSZBZ-CQSZACIVSA-N 319.445 2.773 0 40 DFAB CO[C@@H](CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)C(C)(C)C 95984039 VIHFPXIFZILRBJ-KBPBESRZSA-N 322.453 2.934 0 40 DFAB CCc1oc2nc(-c3ccoc3)nn2c1C(=O)NC1CCCC1 306143677 YIQXTSFQQZVPLS-UHFFFAOYSA-N 314.345 2.817 0 40 DFAB CN(C)c1cccc(C(=O)NCc2nnc(C(C)(C)C)s2)c1 89761549 GAOLVKYFRFIKOH-UHFFFAOYSA-N 318.446 2.832 0 40 DFAB CC(C)c1nc(C(=O)N2CCCC2)nn1-c1cccc(F)c1 89893577 FGGSKHQNLGDBAA-UHFFFAOYSA-N 302.353 2.766 0 40 DFAB COc1ccc(N2CCCN=C2NC(=O)c2ccccc2C)cc1 28534645 XGXODWHNTRHKTE-UHFFFAOYSA-N 323.396 3.000 0 40 DFAB COc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 409193759 LMTJTRMVUXDJMB-WEVVVXLNSA-N 301.129 2.525 0 40 DFAB CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)CC[C@@H]2CCCO2)C1 79306028 HWODECNRZVUABM-XHSDSOJGSA-N 312.454 2.792 0 40 DFAB Cc1nc(C(=O)OCC2CCN(CC(F)(F)F)CC2)cs1 77956493 DLLFRVDRQPDSEJ-UHFFFAOYSA-N 322.352 2.883 0 40 DFAB Cc1occc1[S@@](=O)CC(=O)N1c2ccccc2C[C@@H]1C 189657742 JXOOXSNQUHRDFB-MQJDWESPSA-N 303.383 2.673 0 40 DFAB C[C@H](c1cnccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 72203803 PKYBOILXNQBIFL-ZIAGYGMSSA-N 320.437 2.774 0 40 DFAB Cc1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1 216459249 KPUQCLWTLVGAHB-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)n1 72369649 BLSJKMWTWYZUBF-OAHLLOKOSA-N 321.428 2.970 0 40 DFAB CC(=O)Nc1cc(C(=O)OC2([C@@H]3CCOC3)CC2)ccc1F 78804237 HJFXUAFISVRIIO-GFCCVEGCSA-N 307.321 2.510 0 40 DFAB CCCC[C@H](COC)NC(=O)C(=O)Nc1cccc(Cl)c1 77783865 XQTAOLHWAZFPRK-CYBMUJFWSA-N 312.797 2.600 0 40 DFAB CC(=O)Nc1cc(C(=O)N[C@](C)(CC(=O)O)C(C)C)ccc1C 565697295 LYYNMHZSYOVCHN-QGZVFWFLSA-N 320.389 2.573 0 40 DFAB CCOC(=O)[C@]1(C(C)C)CCN(Cc2nc(C(C)C)no2)C1 194882119 JUVBZHJTZUZNLH-MRXNPFEDSA-N 309.410 2.604 0 40 DFAB CCOc1ccc(NC(=O)C(C)(C)OCC)cc1C(=O)OC 225813633 KAHAXWRDVJDEDF-UHFFFAOYSA-N 309.362 2.626 0 40 DFAB O=C(O)[C@H](c1ccc(F)cc1)N1CC[C@H](c2cccnc2)C1 573975470 RNZHTPPFCLTASP-HOCLYGCPSA-N 300.333 2.836 0 40 DFAB O=C(NCC[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1F 195536808 SBWCKXLUMJTTSZ-JTQLQIEISA-N 318.314 2.964 0 40 DFAB CCCCc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 46087220 ZAMPNJDRMZEYGL-STQMWFEESA-N 307.394 2.645 0 40 DFAB Brc1ccnc(N2CCC(N3CCCC3)CC2)c1 195567303 ZZTQDLFLHSRBKE-UHFFFAOYSA-N 310.239 2.909 0 40 DFAB Cc1ccc(O[C@@H]2CCCN(C(=O)Nc3cccs3)C2)nn1 225465506 YWHITOQDFZVBBV-GFCCVEGCSA-N 318.402 2.922 0 40 DFAB O=C(CCc1ccc(Cl)s1)NCC[C@H]1CCCNC1 195542879 HMUPARDXGVNRKL-LLVKDONJSA-N 300.855 2.840 0 40 DFAB COc1ncc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1 85471980 SVJNACJZWBMJIE-UHFFFAOYSA-N 321.764 2.935 0 40 DFAB CCn1ccc(NC(=O)C[C@H](CC(=O)O)c2cccs2)n1 223109417 NPJGNARZAZCPBH-SNVBAGLBSA-N 307.375 2.552 0 40 DFAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1cc(F)cc(N2CCCC2)c1 96434437 MXKCTYLNPPSGHQ-WBMJQRKESA-N 321.396 2.708 0 40 DFAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccoc1C)C2 96077024 RPCVTKFLBDGVCO-QGZVFWFLSA-N 304.390 2.595 0 40 DFAB COc1ccccc1[C@H](CNC(=O)c1cc(C2CC2)on1)OC 96384776 XKCBEKFZTUKFCQ-INIZCTEOSA-N 316.357 2.678 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)c1 96685581 RBJUEKYPVKWOSK-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB COc1ccc(C[C@H](C)N[C@H]2CCCC[C@@H]2CO)cc1OC 96478101 LFESKTRHUIYSTA-IMJJTQAJSA-N 307.434 2.776 0 40 DFAB Cc1nccn1CC(=O)N1CCC(c2ncccc2Cl)CC1 578853264 UZXYVHMYSFDHIV-UHFFFAOYSA-N 318.808 2.646 0 40 DFAB CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 96531489 IDLIAPYQXYNORV-UHFFFAOYSA-N 305.378 2.602 0 40 DFAB COc1cccc2cc(C(=O)NC[C@@]3(OC)CCSC3)oc12 96097614 FYXAQFGDAHPPDL-INIZCTEOSA-N 321.398 2.693 0 40 DFAB Cc1cc(CNC(=O)NCCCCn2ccnc2C)c(C)o1 96440297 SJBFFQJDGJEZBA-UHFFFAOYSA-N 304.394 2.681 0 40 DFAB CCc1noc([C@H](C)Nc2cccc(N3CCCNC3=O)c2)n1 96437260 VQYDYBROIBPFIY-NSHDSACASA-N 315.377 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DFAB Cc1ccc(OC2CCN([C@@H]3C[C@H](C)OC3=O)CC2)cc1C 69414196 YYTNAFLVWLWBIH-WMLDXEAASA-N 303.402 2.851 0 40 DFAB C[C@H]1CN(C(=O)c2cc(OCC(F)F)ccn2)C[C@@H](C)S1 96496579 BLJOKQPFDYDORU-AOOOYVTPSA-N 316.373 2.692 0 40 DFAB Nc1nc(NCc2ccc(Cl)c(Cl)c2)c2nc[nH]c2n1 9576267 HTWPDKQMSVNSQD-UHFFFAOYSA-N 309.160 2.854 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2cc3ccccc3c(OC)n2)C1 71836529 SZANCXFVEYLMFG-CQSZACIVSA-N 314.385 2.885 0 40 DFAB CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCN(CC(F)(F)F)C1 71819609 BHDSVXVYJFMOSV-NSHDSACASA-N 318.387 2.681 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cccc3[nH]ncc23)n1 71870140 SRJVXUBUOHRTKM-AWEZNQCLSA-N 323.400 2.681 0 40 DFAB Cc1cccc(-c2nnc([C@H](C)NCCn3cc(C)cn3)o2)c1 71872089 MENWFGKTBGIUHI-AWEZNQCLSA-N 311.389 2.901 0 40 DFAB NC(=O)CCN(Cc1ccc(Cl)nc1)c1ccc(F)cc1 72604326 GHQIFSAAEBQTQG-UHFFFAOYSA-N 307.756 2.756 0 40 DFAB COC(=O)C[C@H](C)NC(=O)Nc1cc(F)c(F)cc1Cl 84636915 IMTYIKFGQARXNV-LURJTMIESA-N 306.696 2.691 0 40 DFAB C[C@@H](Cc1cccs1)NC(=O)c1ccc2c(c1)OCCO2 84640915 WVTUNNDDLGYTKE-NSHDSACASA-N 303.383 2.880 0 40 DFAB Cc1c(Cl)cc(S(=O)(=O)Nc2nncs2)cc1Cl 95441053 KSBSYMXQSFLRPT-UHFFFAOYSA-N 324.214 2.954 0 40 DFAB Cc1cc(=O)[nH]cc1C(=O)N(Cc1cccnc1)Cc1ccco1 95441434 LDWFHQUBMVVMEL-UHFFFAOYSA-N 323.352 2.514 0 40 DFAB COc1cccc(OCCN2CCC(n3cccn3)CC2)c1 95433776 CXIQUXUOAWAQOY-UHFFFAOYSA-N 301.390 2.608 0 40 DFAB O=C([C@@H]1CCCOC1)N1CC[C@@H](OCCCc2ccccc2)C1 95408988 KNEYYHUMMWLKPR-QZTJIDSGSA-N 317.429 2.663 0 40 DFAB COCCC1(CNC(=O)Nc2ccc3nn[nH]c3c2)CCCC1 95973242 PJTNTIPRGQIGGF-UHFFFAOYSA-N 317.393 2.676 0 40 DFAB COc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2F)cc1O 95963711 YNHBHHZUFIFFNQ-OCCSQVGLSA-N 301.317 2.826 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cccc(F)c1F 95980317 HMASEHXMWMUMKB-CYBMUJFWSA-N 321.327 2.518 0 40 DFAB CN(Cc1ccc(N(C)C)nc1)C(=O)NC[C@H]1Cc2ccccc21 95974440 GGTQHOKLGNBCKR-MRXNPFEDSA-N 324.428 2.629 0 40 DFAB COc1cc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCCO2)ccc1F 95980044 HUDRHILGYQXUDX-WDMOLILDSA-N 310.369 2.762 0 40 DFAB COc1c(C(=O)N2CCCc3c(C)cc(C)cc32)c(C)nn1C 89582681 GNFROTZXIKZGQA-UHFFFAOYSA-N 313.401 2.947 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](N[C@@H](C)CS(C)(=O)=O)CCCO2 89633349 KBCIKVLXZIFMQS-ZFWWWQNUSA-N 311.447 2.540 0 40 DFAB CCCNC(=O)[C@@H](C)Nc1ccn([C@H](C)c2ccccc2)n1 89960161 SCNXBDQSXZKSMX-ZIAGYGMSSA-N 300.406 2.819 0 40 DFAB CCC(CC)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 176960447 MDHOXJJJNOSZRJ-UHFFFAOYSA-N 319.810 2.594 0 40 DFAB COc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 120536560 RJUCTBGPGCPSDP-VIFPVBQESA-N 306.341 2.619 0 40 DFAB O=C(Nc1ccc(N2CCCCC2)cn1)c1cncc(F)c1 123757200 PXISDDALXRRVDB-UHFFFAOYSA-N 300.337 2.858 0 40 DFAB O=C(Cc1cccs1)NCc1cccc(N2CCCC2=O)c1 31780314 QIISEQNQIQIAIA-UHFFFAOYSA-N 314.410 2.734 0 40 DFAB CCOc1cc(C(=O)NCCN(CC)CC)cc2occc12 72240157 PLSVWCDZHMXJTB-UHFFFAOYSA-N 304.390 2.903 0 40 DFAB CS[C@@H](C)C(=O)Nc1ccc(I)cc1 31665398 GAUVDSCYYMSGIP-ZETCQYMHSA-N 321.183 2.981 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](CN)[C@@H]2c2ccc(F)cc2)cc1 218628402 KJTHRZUGMDHPDK-IKGGRYGDSA-N 319.401 2.649 0 40 DFAB CCOC(=O)CN(Cc1nnc(C2CC2)o1)C1CCCCC1 77176116 ZUSQAXGKXKKSAT-UHFFFAOYSA-N 307.394 2.645 0 40 DFAB COCCCNC(=O)CN(C)c1nc2c(C)ccc(C)c2s1 70973804 FASUHSJOPOBGEP-UHFFFAOYSA-N 321.446 2.502 0 40 DFAB CCC(CC)[C@H](CNC(=O)c1cc(C)oc1C)N1CCOCC1 36692926 WAGREZMNMYRRFC-KRWDZBQOSA-N 322.449 2.763 0 40 DFAB O=C(NCCc1cccc2cccnc12)C1(C(=O)C2CC2)CC1 521394667 PMBLPAGVQSQMHA-UHFFFAOYSA-N 308.381 2.653 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)[C@H]2COc3ccccc32)CC1 133663611 ODCYTICVRDBMNU-UEPNXXICSA-N 302.418 2.588 0 40 DFAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ncc[nH]4)C3)o2)cc1 49169972 FBYKAAODPCVBJZ-AWEZNQCLSA-N 309.373 2.758 0 40 DFAB biogenic,in-vitro O=S1(=O)CCCN1Cc1coc(-c2cccc(Cl)c2)n1 48609964 KSKHLOHZXPPFQI-UHFFFAOYSA-N 312.778 2.531 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 225611059 PBFYPJDUDDCZRP-KRWDZBQOSA-N 308.422 2.771 0 40 DFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnco2)CC1 224061084 KSEFRSDEZDKSPD-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB C/C(=C\c1ccccc1)CN(C)C(=O)[C@@H]1CCCN1C(=N)O 331157467 BZNNDQPVQXJMBG-FQNOHDAGSA-N 301.390 2.505 0 40 DFAB C[S@@](=O)c1nncn1Cc1csc2c(Cl)cccc12 84841035 KPZQIAXKYAXBGO-IBGZPJMESA-N 311.819 2.932 0 40 DFAB CC(C)(C)OC(=O)n1[nH]c(=O)c2ccc(Br)cc21 89197540 PVKQVQPENMQLCU-UHFFFAOYSA-N 313.151 2.875 0 40 DFAB CC1CCN(c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cn2)CC1 96403506 NZWJQWYCFIMWQI-GJZGRUSLSA-N 317.433 2.567 0 40 DFAB COC(=O)CN(C(=O)[C@H]1C[C@H]1c1ccco1)c1cccc(F)c1 96451635 DABFPYKHLSCSDK-KGLIPLIRSA-N 317.316 2.728 0 40 DFAB Cc1cc(C(=O)N[C@H]2COc3ccccc3C2=O)c(C)n1C1CC1 95463110 FEGCVNFYKFRLTD-INIZCTEOSA-N 324.380 2.814 0 40 DFAB CC(C)c1nnc2n1C[C@H](NC(=O)CC1CCCCC1)CC2 95957952 YOJNPKYIFYEMOC-CQSZACIVSA-N 304.438 2.803 0 40 DFAB CCc1c(C(=O)Cn2c(C)c(C)sc2=O)[nH]c(C)c1C(C)=O 96428931 NJEPLLZBEXZTOQ-UHFFFAOYSA-N 320.414 2.811 0 40 DFAB CCc1ccc(NC(=O)N2CCn3cnc(COC)c3C2)cc1 96260130 SZKUPGDIOAIKEJ-UHFFFAOYSA-N 314.389 2.640 0 40 DFAB c1coc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 96042196 OJQBRHPZJOZFIJ-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB Cc1cc(C)cc(CN2CC[C@@]3(C[C@H](N(C)C)CCO3)C2)c1 96205887 WVINCFDCOYQECU-RTBURBONSA-N 302.462 2.989 0 40 DFAB Brc1cncc(NCc2nnc3n2CCCCC3)c1 96482666 RBGNAZPJZYPRDS-UHFFFAOYSA-N 322.210 2.774 0 40 DFAB O=C(OC[C@@H]1CC=CCC1)[C@@H]1CCCN1C(=O)c1ccccn1 96441919 ISEPZYDJQGDVPB-ZBFHGGJFSA-N 314.385 2.586 0 40 DFAB COc1ccc(NCc2cn(C)nc2-c2cccnc2)c(C)n1 97376092 CBJOSGNSFOFCAG-UHFFFAOYSA-N 309.373 2.806 0 40 DFAB CO[C@H]1CO[C@@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1 96107205 LCTHHCBLWTVFAK-NHXPHFSRSA-N 307.415 2.558 0 40 DFAB O=C(CC1(Sc2ccccc2)CCC1)NCc1nnc[nH]1 252501001 UBHZFQLFAPWVGZ-UHFFFAOYSA-N 302.403 2.526 0 40 DFAB COCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257226181 FJMFBJDGYHLQSL-INIZCTEOSA-N 314.385 2.965 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)s1 252585065 FUCIWFRURAHQFY-YUTCNCBUSA-N 307.463 2.585 0 40 DFAB CCn1nc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)cc1C 257326976 WZIDYNICTWGWDJ-CQSZACIVSA-N 301.394 2.610 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)n2ccnc2)C12CCCCC2 253370025 LCNTZUGZBUVLAM-RRFJBIMHSA-N 305.422 2.688 0 40 DFAB Cc1cccnc1C(=O)N1CCC[C@H](Cc2nccs2)C1 257256402 KLIVCKIBVYVFDR-CYBMUJFWSA-N 301.415 2.941 0 40 DFAB C[C@@H]1CN(C(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)C[C@@H](C)O1 253394000 GHVUJZUNFCRMKF-RBSFLKMASA-N 313.401 2.747 0 40 DFAB Cc1ccc(C(=O)NCc2cncc(N3CCCC3=O)c2)s1 575608177 MCRAYODOEYNBMT-UHFFFAOYSA-N 315.398 2.508 0 40 DFAB c1cc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)co1 585105225 QVFCRBGOVUUOSE-INIZCTEOSA-N 323.458 2.783 0 40 DFAB COc1ccccc1C[C@H]1CCCN1C(=O)NCC(F)(F)F 58515188 SBZBCUNJPKDPSL-GFCCVEGCSA-N 316.323 2.974 0 40 DFAB Cc1nc(CNC(=O)N[C@H](C)c2cc(C)c(F)c(C)c2)no1 76088033 KYWRYFPFLOCDHS-SNVBAGLBSA-N 306.341 2.694 0 40 DFAB COc1cccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1 641256904 TXODXLXIELZQHH-UHFFFAOYSA-N 310.401 2.689 0 40 DFAB Cn1nc(Cl)c(I)c1C(F)(F)F 38690738 UEDLKKDWIZOXMV-UHFFFAOYSA-N 310.444 2.697 0 40 DFAB CC[C@@H]1CN(C(=O)c2oc(Br)cc2C)CCO1 51083797 GBCGEJDNZAMRBU-SECBINFHSA-N 302.168 2.602 0 40 DFAB COc1ccc(-n2ccnc2SCC(=O)NC(C)(C)C)cc1 5094020 VEVFOWRSLGLDFR-UHFFFAOYSA-N 319.430 2.888 0 40 DFAB CNc1nc([C@H]2CCCN(c3ccncn3)C2)cn2cccc12 1848355255 BUKIDVBQYXBSGL-ZDUSSCGKSA-N 308.389 2.550 0 40 DFAB COc1ccc(NC(=O)NCCOc2ccccc2)c(OC)c1 35597146 XHSAVNGHFXMYHS-UHFFFAOYSA-N 316.357 2.904 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccnc(C(C)(C)C)n2)C1 674065598 QGFUPFMKNTYAKY-ZDUSSCGKSA-N 318.465 2.905 0 40 DFAB Cn1ccc2cc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc21 206913002 QRBDTFXGRGGVEE-APWZRJJASA-N 312.413 2.946 0 40 DFAB biogenic CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 126086 ILGNDZBMRABVSX-UHFFFAOYSA-N 319.382 2.673 0 40 DFAB Cc1nn2cccnc2c1C(=O)OCc1cccc(F)c1F 40555126 CLSNMCCQXBJOTG-UHFFFAOYSA-N 303.268 2.673 0 40 DFAB O=C(NCCCn1cccn1)c1ccc(Br)s1 40504669 STRWNROQCYYBGZ-UHFFFAOYSA-N 314.208 2.527 0 40 DFAB Cc1ccc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)cc1 20662034 WCGYJXOGJRFTJW-CQSZACIVSA-N 309.373 2.715 0 40 DFAB O=S1(=O)CCC(Nc2ccccc2OCC(F)(F)F)CC1 36981516 VYNWNVPDBWFYCO-UHFFFAOYSA-N 323.336 2.617 0 40 DFAB O=C(c1cccc(C(=O)N2CCCCC2)c1)N1CCCCC1 341450 XNVHBNJXCKSADW-UHFFFAOYSA-N 300.402 2.939 0 40 DFAB Cc1ccoc1C(=O)NC[C@H](C)N1CCc2sccc2C1 46243789 ZDXOJIABXIEWLO-LBPRGKRZSA-N 304.415 2.826 0 40 DFAB C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccccc1 60278242 BKQIPRIHIFCFET-HNNXBMFYSA-N 317.433 2.840 0 40 DFAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)C[C@H]1CCCO1 102386648 OEDWUNAOJCWAKW-OWLYRPNTSA-N 312.413 2.801 0 40 DFAB COc1cccc(C(=O)Nc2c(O)c3ccccc3oc2=O)c1 6826560 MEVHMYSWFYGMDG-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB COc1ccccc1/C=C/CN1CCS[C@H]2COCC[C@@H]21 91856142 WDNMSOWQUOFRBF-DVJJNNKXSA-N 305.443 2.915 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccoc1 47089347 XCRGFFMKJZEGSM-UHFFFAOYSA-N 302.330 2.740 0 40 DFAB O=C(Cc1coc(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@H]21 53384394 PEOAETILCDHNFL-HZPDHXFCSA-N 312.369 2.664 0 40 DFAB CCOCC(=O)/N=c1/sccn1Cc1ccccc1Cl 103943824 WTVFMJYKQTZEBO-JQIJEIRASA-N 310.806 2.715 0 40 DFAB COc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1 816159 VXFBJWOMNWPJLZ-ZDUSSCGKSA-N 311.337 2.941 0 40 DFAB CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O 892019 XRMLPFDMNFIMSI-UHFFFAOYSA-N 308.337 2.627 0 40 DFAB Cc1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)[nH]n1 54174710 XWYDLRPNCCPFTB-UHFFFAOYSA-N 313.279 2.589 0 40 DFAB O=c1cc(CSCc2cccc(C(F)(F)F)c2)[nH]c(=O)[nH]1 984071 XSMCZLIFCIQJIU-UHFFFAOYSA-N 316.304 2.515 0 40 DFAB Cc1ccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 24032822 HZMRENCJLTWJFT-UHFFFAOYSA-N 310.357 2.603 0 40 DFAB Cc1cccc(C(=O)Nc2cccc(OCCn3cncn3)c2)c1 43245949 XITLVSUVIOGLQX-UHFFFAOYSA-N 322.368 2.918 0 40 DFAB C[C@@H](Oc1ccc(Cl)cc1)c1ccnc(Cn2cncn2)n1 1391257 SWVJSZUGUYMERR-LLVKDONJSA-N 315.764 2.910 0 40 DFAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1 3294836 PHVRGUVYYALTFH-GFCCVEGCSA-N 313.357 2.786 0 40 DFAB O=C1c2ccccc2C(=O)N1CN(Cc1cccs1)C1CC1 26636728 FKVKTLLPJOLJLA-UHFFFAOYSA-N 312.394 2.966 0 40 DFAB O=C(O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 35891350 YASRGYMOUBZFMM-HZPDHXFCSA-N 301.386 2.894 0 40 DFAB COc1c(C)cnc(Cn2ncc(Cl)c(Cl)c2=O)c1C 72290064 LDIVDSCQQUWMPP-UHFFFAOYSA-N 314.172 2.619 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccc4[nH]ncc34)C2)n1 72235690 OAQYNUKWOMIQPP-CQSZACIVSA-N 323.400 2.854 0 40 DFAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)n[nH]1 58151450 NTROQTLHWOAOFY-VIFPVBQESA-N 320.418 2.526 0 40 DFAB C[C@H](C(=O)Nc1nccs1)N(C)CCOc1ccc(F)cc1 27681549 DCQOHXRTLDTCKG-LLVKDONJSA-N 323.393 2.620 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1F 29510463 GYAQKDSACHQGOV-GXTWGEPZSA-N 318.392 2.746 0 40 DFAB Cc1nc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)cs1 44967362 OIJGKUILBQNSAC-VIFPVBQESA-N 307.341 2.935 0 40 DFAB COc1ccc(F)cc1[C@H](C)NCc1c(C)nn(C)c1N(C)C 58421089 WPGUFWOIDUUKRA-NSHDSACASA-N 320.412 2.793 0 40 DFAB CCOc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12981068 QTGQHPGJANAZOQ-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB CCC1CCC(CNC(=O)N2CCC(n3cncn3)CC2)CC1 69948040 WOORHJKELGLVFR-UHFFFAOYSA-N 319.453 2.841 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(N)c2)cc1 3886799 OWRRRUJNGAHPLI-UHFFFAOYSA-N 306.387 2.777 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)S[C@@H](C)c1c(F)cccc1F 49065136 FVIHNQKTFCVRLJ-JGVFFNPUSA-N 302.346 2.603 0 40 DFAB COCc1cc(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2[nH]1 9448990 QKKMFSVVERKTDH-UHFFFAOYSA-N 303.749 2.822 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cncs3)C[C@@H]21 97113964 LQMNTMYFRPAUIR-FPMFFAJLSA-N 323.462 2.878 0 40 DFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 4439781 JSCUHTYCGGYIRQ-UHFFFAOYSA-N 324.427 2.689 0 40 DFAB CC(C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O 5321569 KASPITMRVNJBGV-INIZCTEOSA-N 323.348 2.737 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)NC1CCCCCC1 14197552 MFZCODNSINAWRD-UHFFFAOYSA-N 309.431 2.933 0 40 DFAB COc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1OC 6590905 NLKDKJOFEFDVHH-UHFFFAOYSA-N 314.385 2.700 0 40 DFAB COc1cc(C)ccc1OCC(=O)NN1[C@H](C)CCC[C@H]1C 6559560 RLJKTGYOLQVKAR-ZIAGYGMSSA-N 306.406 2.677 0 40 DFAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCCCCCC1 7015377 ZDEJIEWIFDSCRS-INIZCTEOSA-N 321.417 2.559 0 40 DFAB C[C@H]1CCC[C@@H](C)N(C(=O)CCOc2ccc(C(N)=O)cc2)C1 96451357 XWEJNYZBRLTIPX-UONOGXRCSA-N 318.417 2.592 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71853892 GAJVQYZQGKWYSS-MRXNPFEDSA-N 313.401 2.641 0 40 DFAB O=C(N[C@@H](COc1ccccc1)c1ccccc1)[C@H]1CCOC1 71886280 FISRJVABWFOFAN-WMZOPIPTSA-N 311.381 2.959 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)NC[C@H](O)c1cccc(F)c1 71904784 JUCONRRNQRAYPA-HOTGVXAUSA-N 309.381 2.713 0 40 DFAB O=C1COc2cc(NCc3ccc(N4CCCC4)nc3)ccc2N1 97375333 VYXHJIVMFHEHOB-UHFFFAOYSA-N 324.384 2.625 0 40 DFAB CCN1CCN(C(=O)[C@H](C)N[C@H](C)c2cc(C)sc2C)CC1 95350319 OBEJDYMXLVUVRL-KGLIPLIRSA-N 323.506 2.568 0 40 DFAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc2c(s1)CCC2 84615312 GIQSROLTGBPPNZ-UHFFFAOYSA-N 324.409 2.748 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H](O)c1ccccc1 95427356 GKYGVJLSSCMRIG-HOTGVXAUSA-N 303.402 2.718 0 40 DFAB O=C(N[C@H](CCCO)c1ccccc1)c1ccn2ccnc2c1 95445720 RCRAUEKBPYGFLS-MRXNPFEDSA-N 309.369 2.578 0 40 DFAB CCOc1cccnc1C(=O)N1CCC(c2cc(C)n[nH]2)CC1 95464793 QYOXVMNOQSFYRN-UHFFFAOYSA-N 314.389 2.532 0 40 DFAB CCc1ccc([C@H](C)NC[C@@]2(N3CCOCC3)CCSC2)o1 95420918 MJXNQNMNWAKYRJ-YOEHRIQHSA-N 324.490 2.701 0 40 DFAB C[C@@H](NC(=O)N(CCc1ccccc1)[C@H]1CCOC1)C1CC1 95409458 CQEHVRLUMYOTOS-PBHICJAKSA-N 302.418 2.828 0 40 DFAB C[C@H](CCSc1ccccc1)N1CCC(NC(N)=O)CC1 95428296 LCOWMDHIFJICHL-CYBMUJFWSA-N 307.463 2.690 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)n[nH]1 78902247 OTBBCSJXPZXLFR-CQSZACIVSA-N 316.405 2.662 0 40 DFAB CC(C)C[C@H](NC(=O)Cn1ccnc1)c1nc2ccccc2[nH]1 78965289 BYQHIUGWHCBXDQ-HNNXBMFYSA-N 311.389 2.663 0 40 DFAB O=C(Nc1ccc2nncn2c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 95992125 PNXTYSDPGYZSGH-NWDGAFQWSA-N 314.295 2.750 0 40 DFAB COC(=O)[C@H]1CCCC[C@@H]1OC(=O)c1cnn(C(C)(C)C)c1 95983036 LPJCRZGUIUUPJP-STQMWFEESA-N 308.378 2.527 0 40 DFAB CCOC(=O)c1sc2nc(C)nc(N[C@@H](C)COC)c2c1C 9951119 PSLYYZJHOYBFRI-QMMMGPOBSA-N 323.418 2.932 0 40 DFAB CN(Cc1ccoc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75121890 ATCDFTYCSDOGDL-UHFFFAOYSA-N 308.337 2.907 0 40 DFAB CC[C@H](CCO)CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C 89943277 QHTHGQGDZFLEDF-CABCVRRESA-N 316.486 2.924 0 40 DFAB Brc1ccc(-c2ncn([C@@H]3CCCCO3)n2)nc1 113193176 XZGBRNYIIHOXIN-NSHDSACASA-N 309.167 2.802 0 40 DFAB COc1ccc(-c2nnc3n2N=C(C(F)(F)F)CS3)cc1 32604247 OQOFLCIMUWJASY-UHFFFAOYSA-N 314.292 2.826 0 40 DFAB CCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 33621742 WTIPTYNSKFLRLW-UHFFFAOYSA-N 313.309 2.814 0 40 DFAB O=C(c1cnco1)N1CC[C@@H](Cc2cccc3ncccc23)C1 72367632 SOILOAPCPAZHEH-ZDUSSCGKSA-N 307.353 2.928 0 40 DFAB COC(=O)[C@@H](C)[C@H](NC(=O)c1oc(C)nc1C)c1ccccc1 79637709 LWMVSLKAKZWNPF-HZMBPMFUSA-N 316.357 2.572 0 40 DFAB CCOc1cc(C(=O)N2CCN(CC)CC2)cc2occc12 72240142 KYSJNHACZNFSAC-UHFFFAOYSA-N 302.374 2.609 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(OC(C)C)cc1 74988439 XPVQJLLCWSBURW-UHFFFAOYSA-N 324.402 2.557 0 40 DFAB CC(C)CN1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 72216305 VEVQOOWIVHKYOP-KRWDZBQOSA-N 302.466 2.674 0 40 DFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1F 42646074 KZKABHVKIVIFQA-CYBMUJFWSA-N 314.360 2.993 0 40 DFAB CC(C)Cc1cc(C(=O)Nc2cc(-c3ccncc3)nn2C)[nH]n1 80704097 IVNGQGPTUBEUDE-UHFFFAOYSA-N 324.388 2.656 0 40 DFAB COCCCN(C)C(=O)N1CCC(c2nc(C)cs2)CC1 190615735 XTUDLLONVANORL-UHFFFAOYSA-N 311.451 2.719 0 40 DFAB COc1cccc(C(=O)c2ccccc2CN2CCOCC2)c1 43211417 SXHQODXLKKDGDB-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB Cn1c([C@H]2CCN(C(=O)c3cccnc3)C2)nc2ccccc21 49171250 DCJPYGNQRUYERE-AWEZNQCLSA-N 306.369 2.598 0 40 DFAB biogenic,in-vitro COc1cccc(OCCNC(=O)c2ccccc2OC)c1 223446368 MRAPMGGTMVLCLW-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181879 QFPMOCQNLXYILG-HOCLYGCPSA-N 306.381 2.652 0 40 DFAB c1sc(N2CCCC2)nc1[C@@H]1COCCN1CC1CCC1 96218047 DKXCYYKBARWRIH-HNNXBMFYSA-N 307.463 2.917 0 40 DFAB Cc1[nH]nc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c1C 331766157 DGZDBJYMQXVJLK-UHFFFAOYSA-N 311.389 2.578 0 40 DFAB O=C(NC[C@@H]1CCOc2ccccc21)N1CCOC2(CCC2)C1 97230408 LRTCHWWBGIWMOB-AWEZNQCLSA-N 316.401 2.517 0 40 DFAB CCC(=O)Nc1cccc(C(=O)Nc2cnn(CC(F)F)c2)c1 96408616 PGYNYHYVCADFCE-UHFFFAOYSA-N 322.315 2.749 0 40 DFAB N[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(F)(F)F)C1 95619030 YDSTZCLONHXDOY-NWDGAFQWSA-N 302.296 2.677 0 40 DFAB O=C(CCN1CCC(c2cn[nH]c2)CC1)N1CCc2ccccc21 97200432 NGOYGKVAQKETFN-UHFFFAOYSA-N 324.428 2.569 0 40 DFAB O=C(NCCc1ccco1)c1n[nH]c2c1COc1ccccc1-2 96222967 PWIOMFVJNWHNQG-UHFFFAOYSA-N 309.325 2.535 0 40 DFAB COC(=O)c1ccc(NC(=O)NCc2cccn2C)cc1Cl 96435002 SDERSDOGZNBQBZ-UHFFFAOYSA-N 321.764 2.787 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCCCCC3)C2)cc1 96192828 JUNIZEVGYPXJIK-SFHVURJKSA-N 316.401 2.981 0 40 DFAB COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCOC2)cc1F 96416789 CJFGSAXMDTVSBZ-LBPRGKRZSA-N 319.332 2.997 0 40 DFAB O=C(c1ccccc1)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246184 NBCOAZRVKFBRLN-DLBZAZTESA-N 307.397 2.680 0 40 DFAB Cc1ncsc1COC(=O)c1cnn(-c2ccccn2)c1C 96485424 VEKUAHBGXCWRKT-UHFFFAOYSA-N 314.370 2.698 0 40 DFAB CC(C)[C@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 96221259 HERQPUAQEPHWHT-INIZCTEOSA-N 319.401 2.558 0 40 DFAB biogenic CO[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1Cc1ccccc1 96110191 WEXCRQUXUPNGLE-FUHWJXTLSA-N 313.397 2.928 0 40 DFAB COc1ccc(OCC(=O)Nc2ccc(C)cc2)c(CO)c1 95095220 ZRXHEUFLUWNKNI-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB Cc1cccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)n1 96045680 DCWAWRMEOLMNCW-MOPGFXCFSA-N 310.445 2.532 0 40 DFAB c1cnc(CC[C@H]2COCCN2Cc2ccc3cc[nH]c3c2)cn1 257289037 PWSIIYVRLFSCKW-SFHVURJKSA-N 322.412 2.792 0 40 DFAB O=C(c1cncs1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257214462 CMCNIHVVZNZLGM-GFCCVEGCSA-N 313.386 2.553 0 40 DFAB O=C1NCCN1C(=O)N(CCc1cccs1)Cc1ccoc1 96120671 WHTWPRLUGGCBKC-UHFFFAOYSA-N 319.386 2.531 0 40 DFAB COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F 299826255 UZZZYERDPQSGCX-UHFFFAOYSA-N 312.341 2.934 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1nccs1 42757384 XJDSFVPFBFWDCS-UHFFFAOYSA-N 305.359 2.926 0 40 DFAB Cc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 585108916 DDCGZKTYXRCORP-VQIMIIECSA-N 315.413 2.510 0 40 DFAB CN1C(=O)CN=C(c2cccc(O)c2)c2cc(Cl)ccc21 675082250 NWNNFVQCGJLWDT-UHFFFAOYSA-N 300.745 2.859 0 40 DFAB CCOC(=O)c1cc(Br)c2nc(C(C)C)nn2c1 675082769 IDZGHHWIOQRMEQ-UHFFFAOYSA-N 312.167 2.792 0 40 DFAB Cc1cccc(COC(=O)CCn2nc(C)c(C=O)c2C)c1 58298041 YXTYKKWERVCDTP-UHFFFAOYSA-N 300.358 2.754 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)cn1 69738798 UUBRHNJMNQEBRB-CYBMUJFWSA-N 317.414 2.532 0 40 DFAB CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)O)C2=O)cc1 2328779 KRCBXADMBBGEFB-YXYQAXARSA-N 321.354 2.595 0 40 DFAB O=C(COc1ccc(C(=O)O)cc1Cl)NC1CCCCC1 13084930 ZLJVXIYTWXEJMO-UHFFFAOYSA-N 311.765 2.866 0 40 DFAB C[C@@H]1CCc2c(sc3ncn([C@H]4CCCNC4)c(=O)c23)C1 13566379 MOXMAAUBTIDSMX-MNOVXSKESA-N 303.431 2.507 0 40 DFAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCN2CCCCC2)c1 13710896 WXIBPJKFFCKPJL-INIZCTEOSA-N 304.434 2.673 0 40 DFAB Cc1noc(C)c1C(=O)OCc1cc(F)cc2c1OCOC2 16683527 WKUJRAFFZWNNKS-UHFFFAOYSA-N 307.277 2.654 0 40 DFAB O=C1CCCN1c1cccc(NC(=S)NCc2ccco2)c1 18167978 HIRSWSADQNTOTI-UHFFFAOYSA-N 315.398 2.893 0 40 DFAB CCn1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1 11738122 VXTLSEWUXYEMSD-UHFFFAOYSA-N 318.402 2.767 0 40 DFAB c1cc(CNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1 12143962 WRZYUDOJGNGGND-UHFFFAOYSA-N 304.357 2.818 0 40 DFAB CSc1cccc(C(=O)N2CC(OCC(F)(F)F)C2)c1 390831747 UOEYLFDJGZBLQK-UHFFFAOYSA-N 305.321 2.812 0 40 DFAB Cc1cc(NC(=O)c2ncnc(C)c2C)n(-c2ccccc2)n1 1888888408 SYXFLODXSZSYIB-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB CCN(CC)CCN(CC)CC(=O)Nc1ccccc1Cl 19364698 MLUILGIMZAVBDU-UHFFFAOYSA-N 311.857 2.942 0 40 DFAB in-man CCOc1cc2c(cc1NC(=O)c1cnn(C)c1C)O[C@H](C)C2 32882272 OJBCSILDWVSPDL-SNVBAGLBSA-N 315.373 2.703 0 40 DFAB O=C(NC1CC1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 2086921321 YEPQLAUEULGEFX-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB CCn1c(=O)c(C(=O)Nc2cccc(F)c2)cc2cccnc21 5304015 LBAKCCGZQFDTLG-UHFFFAOYSA-N 311.316 2.808 0 40 DFAB Clc1ccccc1Nc1nc2nonc2nc1-n1ccnc1 5531336 ZHQLVGLFULMQLA-UHFFFAOYSA-N 313.708 2.596 0 40 DFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 100759 PVHHOHOOFOHDAI-ZDUSSCGKSA-N 310.353 2.687 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 83990502 VYCDRSMJVHPBIA-UONOGXRCSA-N 308.451 2.514 0 40 DFAB Nc1cccc2c(S(=O)(=O)N3CCCCCC3)cccc12 173247 RVGHIAGJCMWTIK-UHFFFAOYSA-N 304.415 2.987 0 40 DFAB CCOC(=O)CCSc1nnc(-c2ccccc2OC)n1C 412002 VBZVWDFPTKQPOK-UHFFFAOYSA-N 321.402 2.536 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(Cc3ccccc3F)C2)n1 69841007 NEPZXAKEXFYGSQ-HNNXBMFYSA-N 302.397 2.946 0 40 DFAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c(C)c2)cc1 32602119 SAZRUTBXSVINGJ-UHFFFAOYSA-N 323.345 2.860 0 40 DFAB Cc1c(Br)cnn1[C@@H](C)C(=O)Nc1nccs1 2780612 BNMJOZOVVBKFEP-ZETCQYMHSA-N 315.196 2.610 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2)c1 3442978 OXODPBPPEILRKZ-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB COc1ccc([C@@H]2[C@H](C(C)=O)[C@@](C)(O)CC3=NN=C(C)[C@H]32)cc1 4111579 HDMQMOKRQPHFHG-OWSLCNJRSA-N 314.385 2.585 0 40 DFAB Cc1ccnc(N2CCC(C(=O)NC3CCC(C)CC3)CC2)n1 4965998 VRETULUNNTWKHB-UHFFFAOYSA-N 316.449 2.696 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1cccc2ccccc12 6823861 GZJGUGDCHCPDPZ-OLMMMNRUSA-N 323.348 2.823 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@H](C)C2)c2ccccc21 33184343 ASAMTEOHPBSZBS-KBPBESRZSA-N 315.417 2.518 0 40 DFAB CCc1nc(SCC(N)=O)c2c3c(sc2n1)CCCC3 546874 LKQLMBNEIYCMMX-UHFFFAOYSA-N 307.444 2.710 0 40 DFAB Nn1c(SCc2c(F)cccc2F)nnc1-c1ccccn1 530061 ZQJZPYFQFFXKEO-UHFFFAOYSA-N 319.340 2.624 0 40 DFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@@H]1CCOC1 41938368 QVTZNWVPZGZBDM-NSHDSACASA-N 320.389 2.644 0 40 DFAB COC(=O)[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 24985895 OCPRLHCLFPMWHH-INIZCTEOSA-N 314.385 2.655 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccnc1 1405841 QXGVQWAGONLWRR-UHFFFAOYSA-N 321.789 2.870 0 40 DFAB c1cc(-c2nc3c(c(N4CCO[C@@H]5CCC[C@H]54)n2)CCC3)ccn1 106924749 OHSVVYSYRYWTSQ-IAGOWNOFSA-N 322.412 2.785 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CC(=O)N(C2CCCC2)C1 25561126 ZFUSJRYIDHTODA-NSHDSACASA-N 319.430 2.750 0 40 DFAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(-n2cncn2)cc1 25691862 QCKUVSKBSHROLQ-GFCCVEGCSA-N 312.398 2.749 0 40 DFAB Cn1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1=O 56378933 JFIRFBPWCZPDGC-UHFFFAOYSA-N 316.788 2.848 0 40 DFAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 107496157 RXHWPQNVVVRJLV-XIRDDKMYSA-N 312.413 2.739 0 40 DFAB C[C@H]1C[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 107502423 BGJAKLNNECPBCC-APYLGABCSA-N 308.422 2.689 0 40 DFAB O[C@@H](COCc1cccs1)CN1CCC[C@@H]1c1ccc[nH]1 107532072 WSVZBBIZULTBMQ-CZUORRHYSA-N 306.431 2.791 0 40 DFAB C[C@@H]1NC(=S)N(c2ccccc2COc2ccccc2)C1=O 55180312 JAUMXZPQJVFUFJ-LBPRGKRZSA-N 312.394 2.875 0 40 DFAB CCS[C@@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 97036937 HFULYPPGIHIJNA-DGAVXFQQSA-N 305.509 2.606 0 40 DFAB CCCCNC(=O)Nc1cc(-c2ccccc2C)nn1CCO 58135470 NYSKLVDTYBTGDI-UHFFFAOYSA-N 316.405 2.772 0 40 DFAB CCCCSCC(=O)Nc1ccc(S(C)(=O)=O)cc1 23129611 QZZUIBUNCQAKKG-UHFFFAOYSA-N 301.433 2.562 0 40 DFAB Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1F 44866791 BSCFCGXSIRURNG-ZDUSSCGKSA-N 300.333 2.924 0 40 DFAB COC(=O)C1CCN(C(=O)CSc2ccc(C)cc2C)CC1 58245520 KRJNWYMHKMNTSJ-UHFFFAOYSA-N 321.442 2.807 0 40 DFAB Cc1nnsc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 27788948 RHJCLECRINDQAZ-UHFFFAOYSA-N 321.749 2.802 0 40 DFAB Cc1cc([C@@H]2CCCN2CCc2nc3ccccc3c(=O)[nH]2)on1 44978974 MRHDIEIUUWSCAC-HNNXBMFYSA-N 324.384 2.599 0 40 DFAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCn1ccnc1 20451824 XDJZSVPFVRXLLF-AWEZNQCLSA-N 321.808 2.900 0 40 DFAB CN(C)C[C@H](NC(=O)COc1cccc(F)c1)c1ccccc1 28084585 ZPHXHWPKRSDNNO-KRWDZBQOSA-N 316.376 2.624 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)s1 72234149 SGFZCLQKRBXSJC-LBPRGKRZSA-N 304.419 2.779 0 40 DFAB Cc1csc(=O)n1CC(=O)OCc1cccc2cccnc12 11521031 SRDYNZSFRXWTBF-UHFFFAOYSA-N 314.366 2.510 0 40 DFAB CCOC(=O)c1ccc(NC(=O)NCC(C)(C)CN(C)C)cc1 12779514 VIIRTGFCZJDWNS-UHFFFAOYSA-N 321.421 2.573 0 40 DFAB COc1cc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc(OC)c1 12816098 NKWAMYAPQLQWMY-VOTSOKGWSA-N 315.373 2.706 0 40 DFAB COc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 12886627 CHVKBHMDBQSKSM-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 8733947 HLDWHDTVSJHTPE-SNVBAGLBSA-N 311.316 2.553 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(F)cc2)c1C 3551680 WAHPXMJVCMMVQR-UHFFFAOYSA-N 318.348 2.877 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(O)cc1 3510616 CFMCAUZVIWFVLP-LLVKDONJSA-N 315.325 2.585 0 40 DFAB Cc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 3607990 CYBGYIQXPCMIRY-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB COC(=O)c1ccccc1NC(=O)NCc1ccc(F)cc1 4105542 ACQHOZZAPOYEBN-UHFFFAOYSA-N 302.305 2.934 0 40 DFAB CC(C)(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087705 SVPNQKDNTBFTNG-UHFFFAOYSA-N 320.414 2.679 0 40 DFAB C[C@@H]1CCc2c(C(=O)NCCCN3CCCC3=O)csc2C1 5070195 OGPICHIEZKOLBG-GFCCVEGCSA-N 320.458 2.615 0 40 DFAB COC(=O)c1sc(NC(=O)COc2ccccc2C)nc1C 5027466 GOMLDHOBJPWXNC-UHFFFAOYSA-N 320.370 2.564 0 40 DFAB Nc1c(Br)cc2c(c1Br)OCCO2 20134774 PZAKRRMVIKXHMF-UHFFFAOYSA-N 308.957 2.565 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(-c2cccs2)n1C1CC1 5357829 IDNFUEWPPYXOMI-SNVBAGLBSA-N 307.400 2.749 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2nc(C)c(C)s2)cc1O 187530780 ACHCDNCYDPEHLV-FNORWQNLSA-N 318.398 2.804 0 40 DFAB CCN(C(=O)c1ccn[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 65605499 WTMZFMAWSYKQON-GOEBONIOSA-N 312.417 2.707 0 40 DFAB O=C(CC1CCN(c2ncnc3ccccc23)CC1)N1CCCC1 71811061 BHERIALIHDPAPN-UHFFFAOYSA-N 324.428 2.859 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C(=O)NC2CC2)c1 71883077 QHAUUYALJSVSJF-GFCCVEGCSA-N 314.385 2.882 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCc2ccccc21 6881631 OYWJCXXMSCZDPX-UHFFFAOYSA-N 304.353 2.779 0 40 DFAB Cc1ccsc1[C@@H](C)N[C@H]1CCCN(c2ccn(C)n2)C1=O 90116525 ZZNVCKNBCKUFOJ-OLZOCXBDSA-N 318.446 2.636 0 40 DFAB O=C(c1cnc2ccccn12)N(CC1CCC1)C[C@H]1CCCO1 67458800 OHTDXQHSWLWTSU-OAHLLOKOSA-N 313.401 2.756 0 40 DFAB C[C@H]1CN(c2ccc(C(=O)OCc3ccoc3)cn2)C[C@@H](C)O1 96500220 XULHDCNWQQNJBS-BETUJISGSA-N 316.357 2.645 0 40 DFAB Cc1cccc(=O)n1CCCCNC(=O)C1C(C)(C)C1(C)C 81338955 QNUJKZRXYZFSJO-UHFFFAOYSA-N 304.434 2.735 0 40 DFAB Cc1cccc([C@@H]2CCCCN2C(=O)CNC(=O)C2CC2)c1C 81323011 SUJCOWGHMAGURC-KRWDZBQOSA-N 314.429 2.883 0 40 DFAB COc1ccc2ccn(CCOCC(F)(F)F)c(=O)c2c1 96007490 IOSJVIMIHCVURK-UHFFFAOYSA-N 301.264 2.589 0 40 DFAB C[C@H](NC(N)=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 69034574 NYTKHVSFKXQXSF-ZDUSSCGKSA-N 323.396 2.512 0 40 DFAB CC(=O)NCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1 71910407 GSHQAMVTMFRQIQ-UHFFFAOYSA-N 318.348 2.684 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1F 8260211 VIQHCZIKMXVRFQ-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB O=C(CN1C(=O)CSC1=O)Nc1c(Cl)cccc1Cl 8391196 STBDEZHQKNEPTI-UHFFFAOYSA-N 319.169 2.627 0 40 DFAB NC(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 8317266 DVOHRLAXLBMDQW-UHFFFAOYSA-N 317.216 2.570 0 40 DFAB Cc1ccc(OC2CCN([C@H]3C[C@H](C)OC3=O)CC2)cc1C 69414198 YYTNAFLVWLWBIH-YOEHRIQHSA-N 303.402 2.851 0 40 DFAB COCC(=O)N[C@@H]1CCCOc2c1ccc(Cl)c2Cl 69417426 LWMCGWUMBURKSN-SNVBAGLBSA-N 304.173 2.970 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cn3c(C)cccc3n2)n1 69742583 KTGYIJWGGYEVBG-QGZVFWFLSA-N 324.432 2.516 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1 9691359 SRHFCZYIAFTENI-UHFFFAOYSA-N 317.216 2.980 0 40 DFAB NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 19873552 FVDYFFVHDHOWAE-UHFFFAOYSA-N 317.392 2.892 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ncccc1O 96305224 FGVYYZLQTVYXPD-HNNXBMFYSA-N 323.352 2.690 0 40 DFAB Cc1ncc(CN[C@@H](C)CC(=O)NC(C)C)n1-c1ccccc1 84048433 KSOKFKDHGQIVKR-AWEZNQCLSA-N 314.433 2.574 0 40 DFAB CCc1cc(CNC(=O)N[C@@H]2CCCOc3ccccc32)[nH]n1 72290868 PHSZPXXGEFMQPP-OAHLLOKOSA-N 314.389 2.685 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)CC2CCCCC2)cc1 72230369 HOHHFSUVQKSLKZ-UHFFFAOYSA-N 311.447 2.874 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c(=O)[nH]1 87412674 YISKONGOFOTCMD-QRWLVFNGSA-N 322.408 2.626 0 40 DFAB CCn1c(CNC(=O)[C@@H]2CCCc3ccccc32)n[nH]c1=S 78496507 VBNNOCQWKBILIV-CYBMUJFWSA-N 316.430 2.697 0 40 DFAB CCn1cc(C2CCN(C(=O)Nc3ccncc3F)CC2)cn1 97135796 GQTPHIIEKROBMX-UHFFFAOYSA-N 317.368 2.849 0 40 DFAB O=C1NCCN(C(=O)CC2CCC2)[C@H]1c1ccccc1Cl 97106884 NUNSXLXAMNUMFI-HNNXBMFYSA-N 306.793 2.530 0 40 DFAB Cc1c(CN2CCN([C@@H](C)c3ccsc3)CC2)cnn1C 97142283 OPJWLLXPGKHSIW-AWEZNQCLSA-N 304.463 2.669 0 40 DFAB Cc1nc(C)c(CNC(=O)Nc2cccc([S@@](C)=O)c2)s1 78937444 HKOZXPKLVVONFP-NRFANRHFSA-N 323.443 2.819 0 40 DFAB CC[C@@](C)(CC(=O)OC)NC(=O)c1cccc2ncccc12 79001367 JQSKODNDXRIMHI-KRWDZBQOSA-N 300.358 2.696 0 40 DFAB CCc1nc(CC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cs1 95430003 YUVZSQGPGVXQRF-QFYYESIMSA-N 322.405 2.625 0 40 DFAB NC(=O)Cc1ccccc1OCc1ncc(-c2ccccc2)o1 95442498 AKLNXVRKKWVVAY-UHFFFAOYSA-N 308.337 2.948 0 40 DFAB CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C(C)(C)O1 95423917 FXEQOBIIXZZLOA-HUUCEWRRSA-N 308.466 2.713 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCN1c1nccs1 95949140 VCRCPVXNGNNWCB-AWEZNQCLSA-N 319.405 2.910 0 40 DFAB C[C@@H](c1ccccc1F)N1CCN(CCCn2ccnc2)CC1 95987345 PNNVJGSNAMLUOB-INIZCTEOSA-N 316.424 2.791 0 40 DFAB O=C(Nc1cccc2cccnc12)N1CCSC[C@@H]1CCO 75110497 WYRNNKFTMVMNAX-ZDUSSCGKSA-N 317.414 2.567 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccnc(Cl)c1 75267686 SBLLKMLPHJOPTK-QMMMGPOBSA-N 317.197 2.913 0 40 DFAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccco2)CC1 408706805 DWOURWTVDTUZDC-UHFFFAOYSA-N 306.406 2.617 0 40 DFAB CC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 33268565 RKGZVTUAJINTPO-UHFFFAOYSA-N 323.352 2.540 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)on1)c1cccc(F)c1 32730692 GGRWBKLNNSCLOB-OAHLLOKOSA-N 317.364 2.724 0 40 DFAB CCn1cc(S(=O)(=O)N(OC)[C@@H](C)c2ccccc2C)cn1 521394444 GXXGWYCIORIGNB-ZDUSSCGKSA-N 323.418 2.525 0 40 DFAB CC(=O)N1CCC[C@@H](c2cnc(NC3CCCCC3)cn2)C1 72364680 YAQJLHGQQNTJEX-CQSZACIVSA-N 302.422 2.947 0 40 DFAB CCC(=O)N(C)c1ccccc1C(=O)N(C)Cc1ccccn1 73708641 KKXRPQHMDOSJIG-UHFFFAOYSA-N 311.385 2.727 0 40 DFAB Cc1ccc(C2=CCN(CC(=O)NCc3ccco3)CC2)o1 72342256 HWCUTBLEDWQMGZ-UHFFFAOYSA-N 300.358 2.587 0 40 DFAB CCC(=O)N1CCC[C@@H]1c1csc(Nc2cnccn2)n1 72384759 PUSMUELLLQTWDI-LLVKDONJSA-N 303.391 2.750 0 40 DFAB COc1ccc(CN(C)C(=O)c2cc(C)ccc2O)cc1OC 32962363 UHXNAKWZLYPLBP-UHFFFAOYSA-N 315.369 2.990 0 40 DFAB CCCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1 32115552 MROJCWNJVBXEPB-UHFFFAOYSA-N 321.446 2.526 0 40 DFAB C[C@](CO)(NCc1noc(-c2ccoc2)n1)C1CCCCC1 77656292 GGMAIDPFWMRWFG-MRXNPFEDSA-N 305.378 2.751 0 40 DFAB CCc1ncc(CN(C)C(=O)CNc2ccccc2OC)s1 79049853 OEYGREFPBRNZKC-UHFFFAOYSA-N 319.430 2.785 0 40 DFAB Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)c(=O)[nH]1 73304854 VHBQQZUIPANKJW-UHFFFAOYSA-N 323.396 2.560 0 40 DFAB CCc1nnc2n1N=Cc1cc3ccc(OC)cc3nc1S2 72414084 RKDPMPXFWKZGCV-UHFFFAOYSA-N 311.370 2.744 0 40 DFAB CC(C)C(=O)Nc1cc(-c2nc(-c3ccccc3)no2)nn1C 72242477 XPZHQDGIHXECQN-UHFFFAOYSA-N 311.345 2.732 0 40 DFAB O=c1nc2n(c3[nH]ncc13)[C@@H](CSc1ccccc1)CS2 36636123 BLQOGBNQROCIFV-VIFPVBQESA-N 316.411 2.559 0 40 DFAB CCc1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC 74935008 UECZJEBOGXBDHE-UHFFFAOYSA-N 323.389 2.875 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 72378401 LXDCAEWXRYMRPJ-INIZCTEOSA-N 319.368 2.640 0 40 DFAB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCCCC1 47228338 HBAPJECHFBZMBU-UHFFFAOYSA-N 316.445 2.715 0 40 DFAB Cc1cc(NCCCn2nc(C)c3ccccc32)n2ncnc2n1 223478190 ATPMTGONLSYFQA-UHFFFAOYSA-N 321.388 2.593 0 40 DFAB CN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(Cl)c1 226275396 YRYBQJDHSWTZRV-UHFFFAOYSA-N 322.714 2.702 0 40 DFAB CCc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224207651 YBSPLPLQBXZTIN-UHFFFAOYSA-N 324.428 2.959 0 40 DFAB O=C(NC1CCCCC1)c1ccc(CN2CCCC2=O)cc1 44849502 VALKWAMUNSNCQY-UHFFFAOYSA-N 300.402 2.872 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)OCc1ccccc1 191159159 VHDFXELMYPIFIJ-ZBFHGGJFSA-N 318.417 2.950 0 40 DFAB O[C@@H](CN[C@H](c1ccccc1)c1ccncc1)c1ccncc1 195553861 HOPGALFQMUCJKN-RBUKOAKNSA-N 305.381 2.889 0 40 DFAB O=c1[nH]c2c(cnn2-c2ccc(F)cc2)cc1Br 95096593 UYUUENQCHKZQGC-UHFFFAOYSA-N 308.110 2.615 0 40 DFAB Cc1cc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)cnc1C 97301382 HFILLHRMOJEWKR-SFHVURJKSA-N 323.440 2.918 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)N(C)CCc1ccccn1 96461062 XEUPZVROOLHRHP-ZDUSSCGKSA-N 301.415 2.658 0 40 DFAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1ccco1)C2 96060106 FFXLUSPSERHQIM-OAHLLOKOSA-N 301.390 2.539 0 40 DFAB NC(=O)Cc1cccc(OCc2ccccc2OC(F)F)c1 96410294 HQMXFLGRTUPITN-UHFFFAOYSA-N 307.296 2.895 0 40 DFAB O=C(c1cccc(F)c1)N1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187059 PAQSSULMPXCLBU-IKGGRYGDSA-N 319.376 2.624 0 40 DFAB C[C@H](N[C@@H]1CCN2CCC[C@H]2C1)[C@H](O)c1c(F)cccc1F 245344212 YDMLKFFQWJASGX-LKQDWFRTSA-N 310.388 2.603 0 40 DFAB Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)C2)ccc1S(C)(=O)=O 252489924 KEZALKWOVLIURL-ZYHUDNBSSA-N 310.419 2.709 0 40 DFAB FC(F)(F)c1cccc(N2CCN(c3cnccn3)CC2)c1 298196479 FJKSYEZHSGYTPV-UHFFFAOYSA-N 308.307 2.822 0 40 DFAB O=C(NCc1cccnc1)[C@@H]1CCCN1c1nc2ccccc2o1 253472802 PKWXAGVETVTTCF-HNNXBMFYSA-N 322.368 2.508 0 40 DFAB Cc1csc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)c1 257297455 RHHUYRBVPKAKRM-CQSZACIVSA-N 302.399 2.974 0 40 DFAB CCCCc1nc(CN2CCC[C@@H]2c2cncc(NC)n2)c[nH]1 257257574 KQFIFMLYJAJSJU-OAHLLOKOSA-N 314.437 2.921 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCCC[C@H]1c1ccn[nH]1 257215848 CRXLDCUDAMBQOG-SFHVURJKSA-N 324.428 2.916 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-n2cccc2)ccn1 85472817 HPAXHSXBWJPTQK-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB Cc1cnn([C@H]2CCCN(c3ncnc4c3ncn4C3CC3)C2)c1 292593792 BLEWNWDJCOOCMY-AWEZNQCLSA-N 323.404 2.508 0 40 DFAB CO[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1Cc1ccc(F)cc1 585275038 UPUAKCIZBOJGHB-IRXDYDNUSA-N 303.381 2.771 0 40 DFAB CC[C@@H](C)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 70981757 DMBPSOIZXOOMCI-CQSZACIVSA-N 320.433 2.585 0 40 DFAB Clc1ccc(Cl)c(-c2nc([C@@H]3COCCN3)no2)c1 96001486 REXDZFROVSWBBV-JTQLQIEISA-N 300.145 2.704 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)Cc2ccccc2F)cc1 13672552 JCZCMPQCWJJBTP-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB Cc1ccc(NC(=O)C[S@@](=O)c2ccccc2N)c(C)c1 15935422 DFZOHAIJKWJCRH-NRFANRHFSA-N 302.399 2.632 0 40 DFAB O=C(/C=C\c1ccccc1)NCCNC(=O)/C=C/c1ccccc1 18030977 KRKHZGROVOQDOS-HEEUSZRZSA-N 320.392 2.646 0 40 DFAB Cc1ccc([C@H](NC(=O)Cn2ccnc2)c2ccncc2)cc1C 19213583 PIMJVTKHJPAYGC-LJQANCHMSA-N 320.396 2.801 0 40 DFAB Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@H]1CNCCO1 157612666 YUIHUEQYQIUGRQ-DOTOQJQBSA-N 304.434 2.577 0 40 DFAB Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3)c2N)n1 6868197 OMKLESUGXAFDCV-UHFFFAOYSA-N 318.340 2.875 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cc(O)ccc12 585672676 MRUMYIVAIOMKBK-UHFFFAOYSA-N 318.373 2.613 0 40 DFAB CCn1c(O)c(C(=O)Nc2ccc(O)cc2)c(=O)c2ccccc21 6520088 OMVBCWJZGUGOKF-UHFFFAOYSA-N 324.336 2.685 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)COCC(F)(F)F)c1 40529968 WMZXPBJWJMSHJR-UHFFFAOYSA-N 304.268 2.553 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)c(C(N)=O)c1 40501254 XSPAOOOQUAZTHW-HZMBPMFUSA-N 323.824 2.546 0 40 DFAB Cc1nc2c3ccccc3n(CCN3CCOCC3)c2s1 20504094 PZOYNIUINMAGGE-UHFFFAOYSA-N 301.415 2.892 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(Br)o2)cn1 71796999 FFSVXUCZDCTPPD-JTQLQIEISA-N 324.178 2.753 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 44783 QJGWABJWIZVKDA-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB CCNC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 69418932 ZCYVHEYKUKVZMU-MRXNPFEDSA-N 308.385 2.982 0 40 DFAB Cc1ccc(CNC(=O)CSc2nc(C(C)C)n[nH]2)cc1 2656455 JWTJFARMLVSZMD-UHFFFAOYSA-N 304.419 2.645 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 32986258 OSUCBUQTFBFEJW-NVXWUHKLSA-N 314.429 2.988 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 8041157 WEAWHRGQCCEQIN-CYBMUJFWSA-N 315.369 2.788 0 40 DFAB C[C@@H](NC(=O)Cn1ncnc1-c1ccccc1Cl)C1CC1 69595440 VEJWOMSWXXUBEB-SNVBAGLBSA-N 304.781 2.513 0 40 DFAB Cc1ccnc2nc(C(=O)OCc3cccc4ccccc34)nn12 8191330 MYNWEPLQVZEJCS-UHFFFAOYSA-N 318.336 2.943 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1C 8388852 GGSKNMGRLNSBQE-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 509535 NNRCADMFWHJEEJ-GXSJLCMTSA-N 310.279 2.642 0 40 DFAB CC(C)n1nccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 22291700 WZYFMPNEEPHIBJ-UHFFFAOYSA-N 320.437 2.687 0 40 DFAB O=C1Cc2cc(NC(=O)NCCCc3ccccc3)ccc2N1 22506560 YENCECJZBPRAAO-UHFFFAOYSA-N 309.369 2.936 0 40 DFAB CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3ccccc32)c1 23386669 MOGZBYGTWXCTQD-HNNXBMFYSA-N 310.353 2.679 0 40 DFAB C[C@@H](NC(=O)CN1CCCCCC1=O)c1cccc(Cl)c1 23711910 CAAFIQNGSCHLJN-GFCCVEGCSA-N 308.809 2.920 0 40 DFAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 50078300 PUSMMFMVZHHBFD-UHFFFAOYSA-N 314.429 2.860 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](NC(N)=O)c1cccs1 54866469 YLESTYVHADGBKL-WOPDTQHZSA-N 309.435 2.543 0 40 DFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cc2c(C)noc2C)cc1 24267241 ATKLZQOQWAZAKL-CYBMUJFWSA-N 301.342 2.957 0 40 DFAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3O)CC2)cc1 12527207 FWYHCYMFRXBAKO-UHFFFAOYSA-N 324.380 2.557 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)CCc3ccco3)cc12 25016319 WRMBXTLQWRACMW-UHFFFAOYSA-N 313.313 2.514 0 40 DFAB O=C(NCCNc1cnccn1)c1cccc(Cl)c1Cl 43765588 AROIFBNQJGQWSO-UHFFFAOYSA-N 311.172 2.625 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCCCCCC1)C2=O 56552748 CNXCDSWCAZVJSI-WMLDXEAASA-N 307.438 2.711 0 40 DFAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1cc[nH]n1 96403531 SZOASRYKPLJVNN-VIFPVBQESA-N 313.279 2.512 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 10752392 OBMRZOXHIDTUSX-KRWDZBQOSA-N 315.394 2.855 0 40 DFAB CN(Cc1ccsc1)C(=O)COc1cccc2c1CCC2=O 48288467 OMNQKRXZNONTRU-UHFFFAOYSA-N 315.394 2.914 0 40 DFAB C[C@H](c1cnn(C)c1)N(C)C(=O)NCc1ccc2c(c1)CCC2 96494682 BLQHOSNKLQENGW-CYBMUJFWSA-N 312.417 2.811 0 40 DFAB CS[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96417103 KXMIJQWJQUPRQL-HIFRSBDPSA-N 316.426 2.932 0 40 DFAB CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1cccc(F)c1 20026342 LZIMSOVSKYQHKO-IAGOWNOFSA-N 301.365 2.569 0 40 DFAB O=S(=O)(NCCSCc1ccccc1)c1ccccc1 25875292 YAYGVVYVSVURKD-UHFFFAOYSA-N 307.440 2.898 0 40 DFAB Cc1cc(N2CC[C@@H](OCc3ccccn3)C2)nc(C2CC2)n1 84114419 KWTURMWDBQYOHE-MRXNPFEDSA-N 310.401 2.853 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)[C@H]1CSc2ccccc2O1 58293258 PJXDPDKLXBBVBW-OAHLLOKOSA-N 315.394 2.904 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H](C)c1nccs1 110714014 VJMAKZCPQCUUTF-RWMBFGLXSA-N 311.451 2.846 0 40 DFAB CC(C)(NC(=O)COC1CCCC1)c1ccc2c(c1)OCCO2 58354773 DRAGLZSKUZJCCE-UHFFFAOYSA-N 319.401 2.768 0 40 DFAB Cc1cccc(NC(=O)COCC2CC2)c1C(=O)N1CCCC1 58412636 FVKIJXZIIJTEFU-UHFFFAOYSA-N 316.401 2.596 0 40 DFAB Cc1cc(CN2CCN(C(=O)CC3=CCCCC3)CC2)on1 69774576 KNAKXTHCFVENNM-UHFFFAOYSA-N 303.406 2.518 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 12934632 XTPLAZVCIFPKNE-UHFFFAOYSA-N 306.325 2.519 0 40 DFAB O=C1COc2cc(C(=O)NCCCC3CCCC3)ccc2N1 13012425 WYJWEJFLEUBCCU-UHFFFAOYSA-N 302.374 2.718 0 40 DFAB CNC(=O)c1ccc(NC(=O)CCOc2cccc(C)c2)cc1 13097227 SFHAXPHMOZIFEW-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccsc1 39535512 KOVHTJGGGWDCGN-UHFFFAOYSA-N 318.398 2.858 0 40 DFAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](C)C3 13856459 OYVLVDPBRCCPOJ-LLVKDONJSA-N 322.368 2.703 0 40 DFAB Cc1cccc(-n2c(C)nn(CN3CCOCC3)c2=S)c1C 27299170 QJKQYWLKSZOPKY-UHFFFAOYSA-N 318.446 2.618 0 40 DFAB O=c1c(Cl)c(Cl)cnn1Cc1nc(-c2ccccc2)no1 5295880 HQTMSXUDBSIUSS-UHFFFAOYSA-N 323.139 2.648 0 40 DFAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2)s1 6366963 NLWMGCNIPOWWJN-SNVBAGLBSA-N 304.371 2.944 0 40 DFAB O=C(c1cccc[n+]1[O-])N(Cc1ccccc1)Cc1ccco1 65498088 QNUIIYFJJPDNGO-UHFFFAOYSA-N 308.337 2.756 0 40 DFAB O=C(NCc1cccnc1)N(Cc1cccc(O)c1)CC1CC1 72281949 VBHFAUJHSLRZRD-UHFFFAOYSA-N 311.385 2.909 0 40 DFAB C[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CC(C)(C)O1 65504940 MUZLVTYQABSSSR-LBPRGKRZSA-N 317.364 2.651 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)N(C)CCOc1ccccc1 14134536 JNXJFFSVHUMDBQ-HNNXBMFYSA-N 304.434 2.835 0 40 DFAB O=C(NC1CCCCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5556610 QAIGDDZGGCZOMV-YOEHRIQHSA-N 316.426 2.705 0 40 DFAB Cc1cnc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cn1 66458045 MDFJAELWXMEYOU-UHFFFAOYSA-N 314.364 2.641 0 40 DFAB COC(=O)c1nn(CC(=O)c2ccc(F)cc2)c2ccccc12 15107304 QLQFAQUDIPBBOG-UHFFFAOYSA-N 312.300 2.845 0 40 DFAB Cc1ccc(C(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1 67172443 WNAOGXJFBRHHCU-UHFFFAOYSA-N 321.332 2.839 0 40 DFAB COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1F 15637050 ORVWZLGHOHKVOS-UHFFFAOYSA-N 306.362 2.961 0 40 DFAB COC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763514 FSGZTZROPUKOOG-MRVPVSSYSA-N 309.416 2.995 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2ccccc2OC)ccc1=O 68577839 LDBDUYZZGQVXDB-LBPRGKRZSA-N 315.373 2.760 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](C2=Cc3ccccc3OC2)N1 9338248 SKGSDASLDUVDOT-MRXNPFEDSA-N 317.352 2.560 0 40 DFAB CCOCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 69390145 ZEVDKSVDYOFMAD-ZWKOTPCHSA-N 316.445 2.679 0 40 DFAB Nc1ccccc1SCC(=O)Nc1ccc2nc(O)[nH]c2c1 408600022 REUPWLUUXKESJA-UHFFFAOYSA-N 314.370 2.582 0 40 DFAB C[C@H]1[C@@H](C)SCCN1C(=O)c1cnn(-c2ccccc2)c1 71911074 SKAUXJITHHDTJV-QWHCGFSZSA-N 301.415 2.838 0 40 DFAB COC(=O)c1cc(/C=C2/N=C(c3ccccc3)OC2=O)oc1C 96930286 SPKDOCNHGRBKMM-NTEUORMPSA-N 311.293 2.719 0 40 DFAB Cc1ccoc1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 97106949 IJIILKOYGGLRQJ-GFCCVEGCSA-N 308.378 2.575 0 40 DFAB c1ccn2cc(CN3CCC[C@@H]3c3noc(C4CC4)n3)nc2c1 76047428 ABWHVBSEIFYSQB-CQSZACIVSA-N 309.373 2.932 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)COc2ccccc2C)CC1 97379302 UGPDTJHOIRBUCC-ODIFPOPNSA-N 304.434 2.799 0 40 DFAB Cc1nc2ncnn2c(NC[C@H]2CCO[C@@H]2c2ccccc2)c1C 78358185 GPNIYPBQENOJRC-HZPDHXFCSA-N 323.400 2.931 0 40 DFAB CC1(C)C[C@H](NC(=O)CCn2cccn2)c2ccc(F)cc2O1 95423970 YOLMXXUJXFPOME-AWEZNQCLSA-N 317.364 2.831 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1CCOCC1 78647218 VMYJOMPOXNBQOE-ZDUSSCGKSA-N 318.200 2.570 0 40 DFAB O=C1N[C@]2(Nc3c1sc1ccccc31)C(=O)Nc1ccccc12 78764384 QNKUMGUEVMIBRM-KRWDZBQOSA-N 321.361 2.862 0 40 DFAB CC1(C)CCC(NC(=O)NCC(=O)NCc2ccccc2)CC1 73748605 DSOXUQDWXKVIGQ-UHFFFAOYSA-N 317.433 2.571 0 40 DFAB Cc1cccc(CS(=O)(=O)Nc2cnc(C3CC3)nc2)c1 95941044 RORVXIUVFVQZNU-UHFFFAOYSA-N 303.387 2.604 0 40 DFAB O=C(C[C@@H]1COCCN1C(=O)c1ccsc1)c1ccccc1 95965343 BIDPKOWSYSQFTB-OAHLLOKOSA-N 315.394 2.862 0 40 DFAB CC(C)Cc1nc(COc2ccccc2-c2nnco2)no1 95988724 DTRUUIIWGNKUMH-UHFFFAOYSA-N 300.318 2.897 0 40 DFAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1N1CCCCC1=O 79047400 HUOAHITVWPXNBT-WCQYABFASA-N 302.374 2.807 0 40 DFAB CCCCn1nc(C(=O)NCC2(C)CCCCC2)ccc1=O 79097585 GVSBOHCACHKAPO-UHFFFAOYSA-N 305.422 2.744 0 40 DFAB Cc1noc(CSCc2nc(Cc3ccc(F)cc3)no2)n1 89721195 NCFXUDPLSVCYTJ-UHFFFAOYSA-N 320.349 2.924 0 40 DFAB Cc1nnc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)s1 89740816 ZUUMVQWVYMDPFS-KWQFWETISA-N 324.431 2.902 0 40 DFAB O=C(NCCOC1CCCCCC1)NC1CCN(C2CC2)CC1 89818921 WTVBYUMLPMRCEX-UHFFFAOYSA-N 323.481 2.652 0 40 DFAB CCN(CC(C)(C)O)C(=O)NCc1coc(-c2ccccc2)n1 89961036 HMSWZUAWMLJCEQ-UHFFFAOYSA-N 317.389 2.644 0 40 DFAB CC(=O)N1CN(C[C@@H]2CCCO2)Cc2c1sc1c2CCCC1 20192327 AGYHPRKWVFCCKO-ZDUSSCGKSA-N 320.458 2.932 0 40 DFAB CC(C)Oc1nnc(SCc2ccc(C(N)=O)cc2)s1 60530050 CTJOOLJCRUEPFZ-UHFFFAOYSA-N 309.416 2.717 0 40 DFAB CCN(CCN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391808 YSOSCHBSMBUYLH-DLBZAZTESA-N 319.449 2.505 0 40 DFAB COc1cccc(C(=O)N(C)C)c1OCc1cnc(C)s1 79290035 CGZFTFIDWQDZFP-UHFFFAOYSA-N 306.387 2.741 0 40 DFAB CCOc1cc(C(=O)Nc2cc(C)on2)nn1-c1ccccc1 72264728 OVVLJPJMJWMKGL-UHFFFAOYSA-N 312.329 2.820 0 40 DFAB CCc1[nH]c(C(=O)N(C)c2ccccc2)c(C)c1C(=O)OC 32714728 HXTACKDOMOBCHT-UHFFFAOYSA-N 300.358 2.949 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(N3CCSCC3)c21 72238359 CJTYQCAKPWTOIQ-UHFFFAOYSA-N 305.451 2.831 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc23)c2cccnc2O1 189057295 AYAJCJFWZFATSC-SNVBAGLBSA-N 324.315 2.592 0 40 DFAB COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(Cl)nn2)c1 79040339 PKUGBCUJWFSYRD-JTQLQIEISA-N 321.764 2.682 0 40 DFAB CCc1noc([C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 41122335 UPZMQBUXRRAKBJ-LBPRGKRZSA-N 303.362 2.862 0 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JSVRRASDFUWNMX-UHFFFAOYSA-N 310.423 2.503 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)Sc2ncn(-c3ccccc3)n2)n1 96469035 UYPPIRATGQGIPS-LLVKDONJSA-N 313.386 2.512 0 40 DFAB O[C@@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1F 97200666 FPSLOCIIMRDWCA-PBHICJAKSA-N 315.392 2.688 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)C1 96192684 ULKDZVMFRPJRHD-YVEFUNNKSA-N 304.365 2.967 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)CO1 96105777 HKMZUANEGHQLJO-INIZCTEOSA-N 303.402 2.653 0 40 DFAB COC[C@H]1CN(CC(C)C)Cc2cnn(CC3CCOCC3)c21 96068355 KVADNQBYAJYHRM-QGZVFWFLSA-N 321.465 2.511 0 40 DFAB C[C@H]1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)C[C@H]1O 96495254 JDKRPVOOTTYZIW-YWPYICTPSA-N 323.820 2.778 0 40 DFAB Cc1cscc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 96461216 XCTMLMCFAYOMAL-ZIAGYGMSSA-N 310.463 2.676 0 40 DFAB C[C@H]1CN(Cc2ccc(-n3cncn3)c(F)c2)C[C@H](C)S1 534349539 GQIHERUNUALSOD-RYUDHWBXSA-N 306.410 2.732 0 40 DFAB CCCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC 583581893 KFYWPMDAEAKBRK-ZDUSSCGKSA-N 310.825 2.953 0 40 DFAB Cn1nccc1NC(=O)C1(Cc2ccccc2F)CCOCC1 257304288 SKWVKHKUTLDELP-UHFFFAOYSA-N 317.364 2.537 0 40 DFAB O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc2nccn12 257303526 SHPBPKJTTIKWSK-INIZCTEOSA-N 306.369 2.636 0 40 DFAB Cc1cc(CC2CCN(C(=O)c3cscn3)CC2)ccn1 257217419 CYVVWYQOPULXLJ-UHFFFAOYSA-N 301.415 2.941 0 40 DFAB O=C(c1cccnc1)N1C[C@H]2CCC[C@H](Cc3ncccn3)[C@H]2C1 257215062 COMYMGLEERMXNZ-DJIMGWMZSA-N 322.412 2.603 0 40 DFAB CN1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2)CC1 585113231 OOGMMBSZXNZLGP-GOSISDBHSA-N 300.446 2.952 0 40 DFAB Cc1cccc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)n1 585269309 OUBVKYPNNLINEP-SFHVURJKSA-N 316.376 2.545 0 40 DFAB O=C(Nc1cc(Br)ccc1-n1cncn1)C1CCC1 51987381 KDQRNDHFFNHRSU-UHFFFAOYSA-N 321.178 2.768 0 40 DFAB COc1ccccc1CNCC(=O)Nc1ccccc1C(C)=O 57273587 OIMLMAKAIYIWDF-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB COc1ccc(CCCC(=O)NC[C@H]2CCCC[C@H]2O)cc1F 84606369 VNKOFYRKAHZRSS-GDBMZVCRSA-N 323.408 2.824 0 40 DFAB O=C(/C=C/c1c(Cl)nc2sccn12)OC[C@H]1CCCO1 3241421 FNOLQOBXPAWZID-CDAZIORVSA-N 312.778 2.785 0 40 DFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3CC3)C2)on1 12154528 FGUNRQPEHQAQOH-CYBMUJFWSA-N 312.373 2.556 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1 13091872 WYYHHZOBMYERMQ-UHFFFAOYSA-N 303.745 2.897 0 40 DFAB C[C@@H](NCc1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 19458471 FMBQDRGJGYDOCZ-GFCCVEGCSA-N 324.359 2.822 0 40 DFAB O=C(N[C@H]1CCn2nccc2C1)c1csc(-c2ccccc2)n1 244969183 HCXUJNKIOZPDHQ-ZDUSSCGKSA-N 324.409 2.751 0 40 DFAB COc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3)ccc12 2706560 VAPFKTQXRFNQDT-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB CCOC(=O)C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl 3109697 NTUZUGIRLQQIPS-UHFFFAOYSA-N 302.157 2.935 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)c3cccc(F)c3)cc2C1 9034850 MLYSGAATQAMBDM-UHFFFAOYSA-N 312.344 2.983 0 40 DFAB Cc1ccccc1CN1C(=O)Nc2ccccc2S1(=O)=O 17135891 NDDTWANBFDXUPP-UHFFFAOYSA-N 302.355 2.731 0 40 DFAB C[C@](O)(CNC(=O)Cc1ccccc1Cl)Cc1ccco1 206613905 QLPSVSXOKLXIQB-MRXNPFEDSA-N 307.777 2.585 0 40 DFAB Cc1ccc(-n2ccn3c(C(F)(F)F)nnc3c2=O)cc1C 2298067696 GLHPKOISKKYAOD-UHFFFAOYSA-N 308.263 2.516 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 40061866 OFOOSQBWNQGYOP-CQSZACIVSA-N 314.385 2.892 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(N)c2)c1 20343418 XFCNNAWQOQOOGY-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB Cc1ccccc1OCCOC(=O)c1c(C)nn2cccnc12 40555127 HXJYYJGXWJBARS-UHFFFAOYSA-N 311.341 2.582 0 40 DFAB CCN(CC)C(=O)c1cn(-c2cccc(Br)c2)nn1 40505918 PFADDMQVVKPECW-UHFFFAOYSA-N 323.194 2.512 0 40 DFAB CCn1ccc2cc(NC(=O)CN(C)c3cnccn3)ccc21 51409871 MAZJGGLNYFFBGO-UHFFFAOYSA-N 309.373 2.526 0 40 DFAB CCn1c(SCC(=O)OC)nnc1-c1ccc(Cl)cc1 244797 CJYUUSSFGGPHRK-UHFFFAOYSA-N 311.794 2.884 0 40 DFAB Cc1ccccc1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21058044 NNCAFVJELDMRLN-IYBDPMFKSA-N 318.461 2.542 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NC[C@@]2(C)CCCS2)n1 84102205 FLKABHUOJOIWHS-BLLLJJGKSA-N 324.494 2.721 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CCCN(CC)CC)cc1 1671768 NKMQFCVNLLXKIZ-UHFFFAOYSA-N 306.406 2.924 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)NC[C@H](C)c1ccccc1 32838685 PFXSMMLIGNWXCH-VHSXEESVSA-N 322.459 2.521 0 40 DFAB CC(C)Oc1ccc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc1 21781962 KSROLCOCQNGBRL-NVNXTCNLSA-N 311.341 2.552 0 40 DFAB Cn1c(SCC(=O)Nc2ccccc2F)nc2cccnc21 4853162 RGJCJSUMOFJQRL-UHFFFAOYSA-N 316.361 2.838 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Cl 470526 MRBPVSPUMUOFEP-UHFFFAOYSA-N 302.717 2.887 0 40 DFAB CC[C@@H]1c2cccn2CCN1C(=O)CC(C)(C)CC(=O)OC 97056934 BMMLFLJDUSBAOB-CYBMUJFWSA-N 306.406 2.761 0 40 DFAB CCNc1ccc(Cl)cc1NC(=O)c1ccc(OC)nn1 97048571 IPWJPOCKZYFGQE-UHFFFAOYSA-N 306.753 2.823 0 40 DFAB Cc1noc(C)c1CSCC(=O)N1CCOc2ccccc21 33168004 QKWJWKRVUDDPFG-UHFFFAOYSA-N 318.398 2.950 0 40 DFAB CCOCCCNC(=O)c1ccc(CN2CCCCC2)cc1 10434066 CQEMPIPBKZAXCW-UHFFFAOYSA-N 304.434 2.829 0 40 DFAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)Nc2ccc(Cl)cc21 565142 ORTHIZOGJSFWBH-DYZYQPBXSA-N 315.756 2.999 0 40 DFAB CC(C)NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 22883630 HJLRTEMFSJRKIO-LZUXJJCOSA-N 318.461 2.718 0 40 DFAB CCOc1nn(CC)cc1C(=O)Nc1ccc(OC)cc1OC 9070479 DKTMXKAOUMIXQT-UHFFFAOYSA-N 319.361 2.571 0 40 DFAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cccs1 9070845 YHIDEWLASLYZJB-GFCCVEGCSA-N 320.345 2.642 0 40 DFAB O=C(NCc1ccncc1)c1cc2c(nc3sccn32)s1 9156748 RAXJTDHLZWCALN-UHFFFAOYSA-N 314.395 2.936 0 40 DFAB Cc1n[nH]c(SCc2ccc(OCc3nccn3C)cc2)n1 42571627 YLEVSCNSSWZSAA-UHFFFAOYSA-N 315.402 2.718 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)Oc1ccc2c(c1)OCO2 24689419 DLCXSSKJAYFQLU-UHFFFAOYSA-N 314.293 2.682 0 40 DFAB Cn1ncc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1384612 HNDXZWKMORMHRA-UHFFFAOYSA-N 307.401 2.822 0 40 DFAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc2c(c1)OCO2 12552362 BSKASTFSVDOILM-LBPRGKRZSA-N 312.369 2.972 0 40 DFAB CSCC[C@@H]1NC(=S)N(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O 102139955 DNMMSHUNZTXJCT-LPWJVIDDSA-N 312.504 2.651 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1ccc(Br)cc1 3292364 SPVJJCMUHJZJCK-UHFFFAOYSA-N 314.179 2.521 0 40 DFAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 57394472 VESRDLUHGIZIBO-ZDUSSCGKSA-N 318.373 2.535 0 40 DFAB COc1ccc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1OC 62001607 KKIIZKHKYNCWEI-HKUYNNGSSA-N 324.380 2.628 0 40 DFAB biogenic Cn1cc(/C=C/C(=O)Nc2nc3ccc(F)cc3s2)cn1 12622576 LCOUADXQTTXZBH-GORDUTHDSA-N 302.334 2.821 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)CNC(=O)Cc1ccccc1 12615609 MBTFEFRLWPIHKE-HNNXBMFYSA-N 310.397 2.531 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)c1cc2c(cc1O)OCO2 48205763 RRQMYAKVJBUARM-UHFFFAOYSA-N 303.289 2.532 0 40 DFAB CC(C)OCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 58293558 YQSUVUWAAQLWSM-UHFFFAOYSA-N 317.355 2.647 0 40 DFAB COCCn1cc(NC(=O)c2cc(C)n(C3CC3)c2C)cn1 58458700 GOMIYNHMNIJZIN-UHFFFAOYSA-N 302.378 2.535 0 40 DFAB COc1ccccc1/C=C/C(=O)NCc1ccc2c(c1)OCO2 3479496 ZAAZYESHDYBKSD-VQHVLOKHSA-N 311.337 2.754 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)c1 70013681 ZCEYJBLWBHRHGM-IUODEOHRSA-N 316.405 2.591 0 40 DFAB COC(=O)c1cc(F)c(C)c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 70036372 DOLRUJNNDXJHFS-UWVGGRQHSA-N 324.352 2.562 0 40 DFAB CN1CCC(CCNC(=O)C(C)(C)c2ccccc2F)CC1 69369364 TXIBQKWGJSEQPC-UHFFFAOYSA-N 306.425 2.951 0 40 DFAB Cc1ccc(OCCCCNC(=O)CCn2cccn2)cc1 49324435 XVHXEGXWJRHAKP-UHFFFAOYSA-N 301.390 2.557 0 40 DFAB COc1ccc(CCNC(=O)c2cn3ccc(C)cc3n2)cc1 17154923 SFBANDUPSZFZBF-UHFFFAOYSA-N 309.369 2.624 0 40 DFAB Cc1cccc(CN2CCn3c(-c4cccnc4)cnc3C2)n1 306123419 AMOVBGQNYYZHGT-UHFFFAOYSA-N 305.385 2.664 0 40 DFAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 13689353 PNRBAPWMWQAPOQ-CQSZACIVSA-N 324.359 2.888 0 40 DFAB CN(C)CCN(Cc1cccnc1)C(=O)c1ccc2cc[nH]c2c1 69698858 RDRHWBKSAOPQPQ-UHFFFAOYSA-N 322.412 2.767 0 40 DFAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)n[nH]c1=S 6605313 IFUHPGDCDRHVQO-BQYQJAHWSA-N 322.821 2.944 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccoc1 17975771 CLKBXXCYEKRPQX-UHFFFAOYSA-N 322.748 2.652 0 40 DFAB COc1ccc2[nH]c(C(=O)N(C)Cc3cnccn3)c(C)c2c1 67432435 YQHNDCCODLCQCX-UHFFFAOYSA-N 310.357 2.547 0 40 DFAB C[C@@H](CCCC(C)(C)O)Nc1ccc(-c2nccn2C)nn1 67490638 NKGLMDWFKHFNPT-LBPRGKRZSA-N 303.410 2.619 0 40 DFAB C[C@H](SC(=S)N(C)C)C(=O)N[C@H](C)c1ccc(F)cc1 7976171 QLABZVIUOLFPNH-ZJUUUORDSA-N 314.451 2.971 0 40 DFAB O=C(COC(=O)c1ccccc1)NCC1(c2ccccc2)CC1 22562717 GDAFBRAXSLRKLI-UHFFFAOYSA-N 309.365 2.691 0 40 DFAB Cc1ccccc1CCCN1C(=O)C[C@]2(CCSC2)C1=O 84235674 ZEFIRQXFBBXRDB-KRWDZBQOSA-N 303.427 2.810 0 40 DFAB Cc1ncccc1CN1CCN(Cc2ccc(Cl)cn2)CC1 97108618 BKKAYAVVNPYKIA-UHFFFAOYSA-N 316.836 2.756 0 40 DFAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccccc2)CC1 19889930 VBCMGHBBASXMCY-SJLPKXTDSA-N 316.445 2.788 0 40 DFAB CC(C)c1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)cs1 71810932 SJJABQCBCCMRHF-HNNXBMFYSA-N 315.442 2.679 0 40 DFAB CCCC(=O)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl 27024875 SLFKPUFXAQOPMO-SNVBAGLBSA-N 313.612 2.982 0 40 DFAB CCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1C 72300136 GJILLAZBUAAHSW-ZDUSSCGKSA-N 323.418 2.639 0 40 DFAB CCc1noc2ncc(C(=O)O[C@@H](CC(C)C)C(=O)OC)cc12 71913709 TVGNLOKDXWEYSJ-ZDUSSCGKSA-N 320.345 2.530 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCCN2CCC[C@H](C)C2)c(C)c1 71906077 UXOQLQVTZCOJEH-ZDUSSCGKSA-N 324.490 2.622 0 40 DFAB C[C@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)Sc1ccccc1 97232263 YYWRQLICJYFLRW-BZNIZROVSA-N 304.415 2.888 0 40 DFAB CC(C)NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 9721832 DRCVNFSAUYYUQL-UHFFFAOYSA-N 322.364 2.621 0 40 DFAB Cc1noc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C 95426062 IEZAKOHWYSSIAH-UHFFFAOYSA-N 306.387 2.971 0 40 DFAB CCO[C@@H]1C[C@H](NC2CCN(C(C)=O)CC2)C12CCCCC2 95961133 CIGDGJPPFYNBNJ-DLBZAZTESA-N 308.466 2.715 0 40 DFAB Cc1cc(C)cc(NC(=O)CN[C@@H]2CCCCC[C@H]2CO)c1 95941487 NZABDFMYXXSCAA-DOTOQJQBSA-N 304.434 2.773 0 40 DFAB Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CCCO1 95974996 RANRRMICQWKMHD-MRXNPFEDSA-N 320.458 2.661 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(C)C[C@H]1C 89537074 SVVZUVULQZKDOK-GFCCVEGCSA-N 315.442 2.895 0 40 DFAB Cn1c(CCCNC(=O)/C=C/c2cccnc2)nc2ccccc21 75141441 GPKMZZDETRFFGY-ZHACJKMWSA-N 320.396 2.731 0 40 DFAB COc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1 89755030 GISYDNQRUZKVIK-UHFFFAOYSA-N 308.769 2.746 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cnc2n1CCCC2 89941207 GFEAVJBUYNGHQO-AWEZNQCLSA-N 324.428 2.700 0 40 DFAB CC[C@@H](NC(=O)N1CC[C@@](C)(C(=O)OC)C1)c1cccs1 89947933 IPIGPVNSMGTFEL-IAQYHMDHSA-N 310.419 2.794 0 40 DFAB O=C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@@H]2C[C@@H]2C1 408497094 IKGXUSBZGQSFKO-IWSPIJDZSA-N 319.835 2.643 0 40 DFAB Cc1ccccc1-n1nc(C(N)=O)nc1-c1ccc(Cl)cc1 408694273 IFSNSBAIUVRZNM-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB C[C@@H](NC(=O)NCC1=CCCOC1)c1cc(F)ccc1N(C)C 1515241570 GGFJKZYYNUTZSY-GFCCVEGCSA-N 321.396 2.599 0 40 DFAB CCCc1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 72343312 ZXLVXWKCINQVTC-DLBZAZTESA-N 322.412 2.664 0 40 DFAB CC(C)c1nnc(C2CCN(C(=O)c3ccncc3)CC2)o1 38518238 ATTXGTDDGODDHR-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB O=C(c1cccnc1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367642 LUZATGCETBZZCA-CYBMUJFWSA-N 306.369 2.663 0 40 DFAB Cc1ccc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nn1 72203464 ZYHXBYGZDFVEQK-CYBMUJFWSA-N 306.410 2.621 0 40 DFAB COc1ccc(-c2nnsc2C(=O)NCC(C)(C)C)cc1 225887852 HSZAJDPEYABVOT-UHFFFAOYSA-N 305.403 2.990 0 40 DFAB CC[C@](Br)([C@H](O)c1ccc(C)cc1)S(C)(=O)=O 96521520 QVLVMBXOODNBIB-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB c1cc([C@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)ncn1 96046112 ICUXAIVDUYMNCS-NUEKZKHPSA-N 301.415 2.890 0 40 DFAB c1cncc(OC[C@@]23CCC[C@@H]2CN(C2CCOCC2)C3)c1 96109231 DRNKOAMZQWWFET-QAPCUYQASA-N 302.418 2.742 0 40 DFAB O=C(C1=CCCC1)N1CC[C@]2(CCC[C@H](CN3CCCC3)O2)C1 96207045 CFBQKCVZZNKSEI-IEBWSBKVSA-N 318.461 2.733 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ncccc2OC(F)F)c(C)o1 96493925 JPBXIXNKCVACIZ-UHFFFAOYSA-N 318.301 2.694 0 40 DFAB Cc1ccc2nc([C@H]3CCCN(CCn4cccn4)C3)[nH]c2c1 96490606 JVUNPXKJAIURON-HNNXBMFYSA-N 309.417 2.947 0 40 DFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccnn1 96454921 GFCOTZKZGKVBAD-UHFFFAOYSA-N 313.188 2.634 0 40 DFAB C[C@H](NC(=O)Cc1cccc(O)c1)c1cccc(-n2cccn2)c1 97236741 RLWPAYMVVAHWMB-AWEZNQCLSA-N 321.380 2.998 0 40 DFAB CNC(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)(C)C)s1 257313697 UTRMYXFMNCVJDM-SNVBAGLBSA-N 309.435 2.602 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 251437806 AJCDZTJICCJYOS-YYFQZIEXSA-N 320.458 2.742 0 40 DFAB CN1C(=O)CCC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@H]21 257203850 ARXOHZMIEMUMEK-UKRRQHHQSA-N 320.820 2.813 0 40 DFAB C[C@H]1CCCN(c2cc(C(=O)N[C@@H]3CCOC3(C)C)ccn2)C1 295905660 NRZJPDRMSXJXPN-DZGCQCFKSA-N 317.433 2.615 0 40 DFAB CO[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccc(C)s1 96104687 HMPBMKWWWWDLLD-AWEZNQCLSA-N 319.382 2.903 0 40 DFAB Cc1cnc(CNC(=O)[C@H]2C[C@]23CCOc2ccccc23)s1 390833511 IOSCQFYIBZARFI-DYVFJYSZSA-N 314.410 2.808 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)ccn1 585277045 LDHANICABVMNST-ROUUACIJSA-N 310.397 2.598 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3cccc(C)n3)C2)cc1 585269166 LBGMDPYQMCZJGR-LJQANCHMSA-N 312.413 2.714 0 40 DFAB COC(=O)c1cc(-c2csc(NC(=O)C3CCC3)n2)c[nH]1 44896658 RYCZDXWYYBPGPI-UHFFFAOYSA-N 305.359 2.663 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1cccnc1)c1cccs1 48310028 ZOLMPKGZYDJERJ-SMDDNHRTSA-N 317.414 2.588 0 40 DFAB COc1cccc(CNCc2ccc(-n3ccnc3C)nc2)c1 48782282 UJZJBDWOSPEMKK-UHFFFAOYSA-N 308.385 2.874 0 40 DFAB Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1 95465381 GXPZAJCTOANPDL-SFHVURJKSA-N 310.397 2.803 0 40 DFAB Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)C2CC2)on1 12337737 RSOMRNHHKFLEPE-UHFFFAOYSA-N 314.389 2.632 0 40 DFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccccc2)c1 14233906 QYLSTZMPXPYHTC-GFCCVEGCSA-N 321.398 2.743 0 40 DFAB Cn1cc(-c2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)cn1 19290746 BZCZVPHANIYWMR-UHFFFAOYSA-N 309.304 2.642 0 40 DFAB CC(C)c1nccn1-c1ccc(NC(=O)Cn2ccnc2)cc1 19454513 NTJOULBAIJUZSL-UHFFFAOYSA-N 309.373 2.831 0 40 DFAB CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1 19878906 MMRJQIQJHVBVQY-UHFFFAOYSA-N 314.385 2.716 0 40 DFAB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c(OC)c1C 8276304 UBPMZUGHSHVJFG-UVTDQMKNSA-N 314.385 2.978 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(/C=C\C(=O)O)c2)cc1 4871574 LCJDCYZTRRIDBL-YFHOEESVSA-N 317.366 2.894 0 40 DFAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1n[nH]c2ccccc12 1848357071 ZHMXTRQVSXUAKB-DNQNPRGNSA-N 324.428 2.698 0 40 DFAB COCCN1CC=CCC2(CCN(C3CCCCC3)CC2)C1=O 2037834847 XSJFWRABUXWQAC-UHFFFAOYSA-N 320.477 2.836 0 40 DFAB O=C(NC[C@@]1(O)CCCc2occc21)Nc1c(F)cccc1F 1565522895 VMPFWRIIPZBVBL-INIZCTEOSA-N 322.311 2.903 0 40 DFAB COc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 12363872 OHDHLNWMAPCUNW-CZAMWMTLSA-N 309.365 2.953 0 40 DFAB c1cnn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCCCC2)c1 2055729696 XBWVQRGGSATOEB-OKZBNKHCSA-N 303.450 2.943 0 40 DFAB O=C(C[C@@H]1Nc2ccccc2N=C1O)NCCc1ccccc1 82260 ALYVOKZTHSTUAG-INIZCTEOSA-N 309.369 2.818 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2ccccn2)n1 40515979 CYTLMJRKLMRTIY-GFCCVEGCSA-N 302.378 2.788 0 40 DFAB CCN(Cc1noc(-c2cccc(C)c2)n1)C[C@H]1CCOC1 52072062 RCGZLLHBDOHUHG-CQSZACIVSA-N 301.390 2.903 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1Cl 367076 QOZVGUFAUYNRQA-LLVKDONJSA-N 303.745 2.910 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F 140128 FLNQBEDEUNAPGR-UHFFFAOYSA-N 307.252 2.711 0 40 DFAB CCN(C(=O)CN(C)Cc1c(C)noc1C)c1ccccc1 46060839 SMPFDDVLISIVOJ-UHFFFAOYSA-N 301.390 2.776 0 40 DFAB C[C@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 46257387 KOTNQAUWPHRPSP-NSHDSACASA-N 320.389 2.739 0 40 DFAB CC(=O)NCc1ccc(C(=O)COc2ccccc2F)cc1 8448404 IXRVBCLFXLNELE-UHFFFAOYSA-N 301.317 2.724 0 40 DFAB CCCNC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 52259683 NEYLTOLXFJTZPY-UHFFFAOYSA-N 312.435 2.931 0 40 DFAB CC1(C)NC(=O)N(CCN(CC2CCC2)c2ccccc2)C1=O 84139672 SNFBEEMWQWXJFG-UHFFFAOYSA-N 315.417 2.624 0 40 DFAB COCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1 32865962 TXLTUTKNAGBQDT-UHFFFAOYSA-N 313.353 2.671 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N3CCCCCC3)C2=O)c(C)c1 4905281 QSWRDZJGRGVPLC-MRXNPFEDSA-N 300.402 2.811 0 40 DFAB CCOC(=O)N[C@H](C(=O)NCc1ccccc1Cl)C(C)C 32911647 MHBHICYRADJDSL-ZDUSSCGKSA-N 312.797 2.727 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2cn[nH]c2c1 32900995 WRKPJUMOOPTDJH-UHFFFAOYSA-N 309.325 2.564 0 40 DFAB CC1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 21898420 QABIHAQZDFKXHN-INIZCTEOSA-N 320.408 2.839 0 40 DFAB Cc1ccc(C(=O)N2CCCN(Cc3cccs3)CC2)n1C 41363634 WLHAZWXQPXUNNU-UHFFFAOYSA-N 317.458 2.743 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CNc1cc(F)c(F)cc1F 97080262 XOYHFZYSHWOOKR-UHFFFAOYSA-N 312.295 2.505 0 40 DFAB CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 97054852 UKURWWJTIGOYHO-VXGBXAGGSA-N 312.435 2.703 0 40 DFAB CCCN1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)C1 53408245 BIUBNALUIQQEPL-INIZCTEOSA-N 300.446 2.956 0 40 DFAB C[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc2c(c1)OCO2 54056084 GTNCIRDWOZEZAY-QMMMGPOBSA-N 319.748 2.736 0 40 DFAB O=C(CCc1ccc(Cl)s1)N1CCC[C@H](n2cncn2)C1 72234909 NHJKIFOFCSCRED-NSHDSACASA-N 324.837 2.789 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1cccs1 104662701 WPEDLEPEFLWWPV-FRRDWIJNSA-N 308.447 2.809 0 40 DFAB CNC(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 104751067 RBZKMMAMZZHVKG-JKOKRWQUSA-N 303.431 2.521 0 40 DFAB CCc1ccc(S(=O)(=O)NC2Cc3ccccc3C2)cc1 9874986 ARWBNIDUCVTTJL-UHFFFAOYSA-N 301.411 2.695 0 40 DFAB O=S(=O)(Oc1ccccc1)c1ccc2c(c1)OCCCO2 23861784 AXTFXBZDXHCBDV-UHFFFAOYSA-N 306.339 2.616 0 40 DFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC1CCCCC1 1328040 JBNPEVGLDXBTCK-UHFFFAOYSA-N 313.401 2.552 0 40 DFAB Cc1cc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)nn1C(C)(C)C 55378155 UMSKQYRTBHDNMK-KBPBESRZSA-N 320.481 2.654 0 40 DFAB Cc1noc([C@@H]2CCCN(C[C@H](O)c3ccc(C)c(C)c3)C2)n1 106831164 BFMZSXUYBOYLNE-SJORKVTESA-N 315.417 2.908 0 40 DFAB CN1CCN(c2ccccc2NC(=O)NCc2ccccc2)CC1 25221233 AHSMOALAEAHQJG-UHFFFAOYSA-N 324.428 2.760 0 40 DFAB O=C(NCCSc1ccc(F)cc1)N[C@H]1C[C@H]2CC[C@H]1O2 110681403 QKICWPWQTIMZSR-KWCYVHTRSA-N 310.394 2.537 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)CN(C)c3ccccc3)ccc21 12543322 LRSUNJLQKLGFHG-UHFFFAOYSA-N 323.396 2.671 0 40 DFAB Cc1cccn2cc(Cn3nc(-c4ccc(F)cc4)oc3=O)nc12 12530857 FGJWKEAEAKISHY-UHFFFAOYSA-N 324.315 2.647 0 40 DFAB COCCCNC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997169 DMXQLOZKLOAOHX-UHFFFAOYSA-N 318.373 2.895 0 40 DFAB FC(F)(F)CN1CCC(NCc2cccc3c2OCO3)CC1 58065496 DWAJGPKOULLAAX-UHFFFAOYSA-N 316.323 2.532 0 40 DFAB C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1 58144981 NPOSZKYULIUYFO-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB O=C(NCCC1CCCCC1)C(=O)NCc1ccc(F)cc1 119895345 XCKDUIQQPHPSLA-UHFFFAOYSA-N 306.381 2.529 0 40 DFAB C[C@@H]1CCc2c(C(=O)N(C)Cc3cnn(C)c3)csc2C1 44896348 IQGOQGQAZBXJBY-LLVKDONJSA-N 303.431 2.879 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@@H](C)N2CCC(C)CC2)cs1 58208487 GXSDJPHAAIJPEL-MUBLQREKSA-N 307.463 2.701 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCC[C@H](C(=O)Nc2cccnc2)C1 58202016 ZRIUDRAONSNEMG-KBPBESRZSA-N 324.384 2.860 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CCOCc1ccccc1 58289508 JKXAQVMCIURRRY-UHFFFAOYSA-N 315.417 2.764 0 40 DFAB CCOC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)cc1 3222051 VYOPKNIPBFZAHS-UHFFFAOYSA-N 324.380 2.865 0 40 DFAB CC(C)N(Cc1cccnc1)C(=O)c1ccnc(-n2ccnc2)c1 58343222 JTCIXHANDQRTPJ-UHFFFAOYSA-N 321.384 2.713 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 10519706 QBBFHADWQCRDHZ-SNVBAGLBSA-N 312.366 2.812 0 40 DFAB COc1ccc(CCNc2ccccc2S(C)(=O)=O)cc1F 172371112 DVWJEMBVZNLVBU-UHFFFAOYSA-N 323.389 2.892 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 3371905 AIPXFBGCADYFMV-TZMCWYRMSA-N 304.390 2.719 0 40 DFAB O=C(Nc1ccc(-n2cccn2)nc1)C1(c2ccccc2)CC1 29196796 KHCZRGDLVNFTSP-UHFFFAOYSA-N 304.353 2.938 0 40 DFAB CN(C)c1ncccc1CNC(=O)NCC1(c2ccccc2)CC1 48357944 QAYLGWQCHJXRHS-UHFFFAOYSA-N 324.428 2.679 0 40 DFAB O=C(NCc1cccc(NC(=O)C2CC2)c1)NC1CCCC1 12865836 VUWXPGAXXJQNJC-UHFFFAOYSA-N 301.390 2.777 0 40 DFAB CCCCC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 3406356 SSNKJNREFFATIT-UHFFFAOYSA-N 315.377 2.739 0 40 DFAB aggregator Cc1nc(-c2ccc(CNC(=O)c3cnccn3)s2)cs1 12909809 SUPJKJGDQMKPGW-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1nccs1 69585913 SMFPXTDVAOWMGT-KBPBESRZSA-N 307.463 2.551 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)n2ncnc2N1 13571645 GDQYBZQBQSYGKF-AWEZNQCLSA-N 316.336 2.658 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@H](C)c2ccccn2)cc1 69744605 IXEIJIKMCIXWLN-RUNBWSAHSA-N 310.353 2.759 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nc2ccc(C)cc2s1)C(C)C 8778108 FZZIERMQLHODBI-ZDUSSCGKSA-N 305.403 2.704 0 40 DFAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 13746529 OIXNHNZSOZOEFY-ZDUSSCGKSA-N 324.446 2.846 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 69811505 KDGWFFSYEOGSPR-ZLIFDBKOSA-N 321.392 2.977 0 40 DFAB O=C(c1sccc1C1CC1)N1CCN(c2ccncc2)CC1 65552257 IUGAEQPGOBXXIB-UHFFFAOYSA-N 313.426 2.983 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1 5391253 CHGXQNMDDRQBCH-UHFFFAOYSA-N 322.748 2.994 0 40 DFAB CSc1ccc(CN(C)CC(=O)NCc2ccco2)cc1 7495481 NTAYEDWEJLSEMF-UHFFFAOYSA-N 304.415 2.750 0 40 DFAB O=S1(=O)CCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 90468516 VFEUDSOUUXCQCY-YPMHNXCESA-N 315.435 2.529 0 40 DFAB CCOc1ccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)cc1C 68547268 DUUOQJDNQAQATK-QWHCGFSZSA-N 321.421 2.818 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(NCC(=O)NC4CC4)c23)C1 7903122 VOUOIGQWYFDZHQ-SECBINFHSA-N 316.430 2.507 0 40 DFAB Cc1cc(CN2CCC[C@H]2C(=O)OCc2ccccc2)no1 68854824 KKMJPZULSDNKJQ-INIZCTEOSA-N 300.358 2.691 0 40 DFAB COC[C@@H](C)n1c(NCc2cccnc2)nc2ccccc2c1=O 69173302 GYUAXHNOBNIVJZ-CYBMUJFWSA-N 324.384 2.611 0 40 DFAB COC(=O)c1nc(N2CCCCC2)sc1C(=O)c1ccco1 26421359 CFPNHNXVRIXSBG-UHFFFAOYSA-N 320.370 2.744 0 40 DFAB C[C@H](NCc1cccc2c1OCCCO2)[C@@H](C)n1cccn1 69372478 IABUGOASFPTSAO-UONOGXRCSA-N 301.390 2.784 0 40 DFAB Cc1noc(C)c1CSCC(=O)Oc1ccc2c(c1)OCO2 9585617 SNJBIJNAMMZYRW-UHFFFAOYSA-N 321.354 2.859 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)n1 71830775 JFMAQNBKZYBEJU-OWCLPIDISA-N 301.434 2.867 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2cn(-c3ccccc3)nn2)c1 71882171 NBGMFUCMZTZRHQ-HUUCEWRRSA-N 310.405 2.512 0 40 DFAB COC(=O)CCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 71884476 GMSAAAMGCHMMFR-NSHDSACASA-N 318.398 2.941 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc2ccccc2o1 71880409 IJKJRFRBOPFZHJ-JKSUJKDBSA-N 313.401 2.803 0 40 DFAB O=C(c1cnc2sccn2c1=O)N1CCC[C@@H]1C1CCCC1 71820102 HELYCWGYLGJCES-CYBMUJFWSA-N 317.414 2.551 0 40 DFAB COc1ccc(F)cc1C[S@@](=O)Cc1cn2ccccc2n1 83944755 XCZIGRXJAQMHEF-QFIPXVFZSA-N 318.373 2.931 0 40 DFAB CCc1ccc([C@H](C)NC(=O)CNC(=O)c2cccs2)cc1 78260829 YTSYXWUMHLDSOY-LBPRGKRZSA-N 316.426 2.918 0 40 DFAB Cc1noc(COC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1 84079619 IHAQILBBXOLIHV-UHFFFAOYSA-N 317.267 2.716 0 40 DFAB Cc1nn(C)c(C)c1CNC(=O)Cn1ccc2c(C)cccc21 72403202 UYSBWZALKLNFSS-UHFFFAOYSA-N 310.401 2.616 0 40 DFAB COC(=O)CCCN1CCC[C@H]1c1cccc2c1OCCO2 78760752 MBZJFASNBCUYAM-AWEZNQCLSA-N 305.374 2.548 0 40 DFAB C[C@@H](CC(=O)N(C)C)NCc1cc(F)cc(Br)c1 95420661 BMDJRENRFUMSBK-VIFPVBQESA-N 317.202 2.545 0 40 DFAB CC(=O)NCc1ccc(-c2csc(-c3nccn3C)n2)s1 95462129 JOVIPGUOOOBWIJ-UHFFFAOYSA-N 318.427 2.908 0 40 DFAB O=C(CSCc1ccccc1Cl)NCCCn1ccnc1 408577443 OSQDFDHUUITVGB-UHFFFAOYSA-N 323.849 2.976 0 40 DFAB Nc1nc(NCc2cccc3c2OCCCO3)nc2ccccc12 95978581 VJHQYROAJZIFEM-UHFFFAOYSA-N 322.368 2.985 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1c1cnc2ccccc2n1 95983470 UIINUSJVWQSTPR-INIZCTEOSA-N 323.400 2.558 0 40 DFAB O=C(c1cccc2ncccc12)N1CCCC[C@@H]1c1nc[nH]n1 95990222 PLOUAILWBVERSR-OAHLLOKOSA-N 307.357 2.720 0 40 DFAB N[C@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 95971155 NVPJBZSVTUKGLT-MJGOQNOKSA-N 324.424 2.752 0 40 DFAB O=c1ccc(-c2ccco2)nn1CN1CC[C@@H](c2ccccc2)C1 79480249 MDDYTBRGWGCHEN-MRXNPFEDSA-N 321.380 2.950 0 40 DFAB C[C@H](CNC(=O)N(C)Cc1cnccn1)Cc1cccs1 74628926 JDXLAJKYZXAMOM-LBPRGKRZSA-N 304.419 2.558 0 40 DFAB NC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 9908648 HHDYFGHGNTWEJU-UHFFFAOYSA-N 308.381 2.846 0 40 DFAB CN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccnn1C 74959090 YUJHZTJITNFYAV-UHFFFAOYSA-N 314.172 2.769 0 40 DFAB O=C1NC2(CCSCC2)C(=O)N1CCc1ccccc1Cl 75092884 VOWXMHCTWCDKMZ-UHFFFAOYSA-N 324.833 2.700 0 40 DFAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@@H]1C[C@@H]1c1ccco1 75092982 MEVMJGBMABAWEM-UONOGXRCSA-N 308.337 2.541 0 40 DFAB Cc1cccc(NC2CCN(C(=O)Nc3cc(C)on3)CC2)n1 75141908 BMRCKVHQFOMRTJ-UHFFFAOYSA-N 315.377 2.795 0 40 DFAB CC(C)N1CCCC[C@@H]1C(=O)Nc1nc2cc(F)ccc2n1C 75361075 KNCMFBRXQTUMBT-OAHLLOKOSA-N 318.396 2.914 0 40 DFAB O[C@H](CNc1ccccn1)c1cc(Cl)c2c(c1)OCCO2 89883894 BWTPMVBFRQUHDC-GFCCVEGCSA-N 306.749 2.652 0 40 DFAB CC(=O)N1CC[C@@H](NCc2cccc3c2OC(C)(C)C3)[C@H](C)C1 89937587 OGCUXJAMSSMLKO-CXAGYDPISA-N 316.445 2.747 0 40 DFAB CC(C)c1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)nc(C(C)C)n1 89939184 RMOJQTLLOGNZTJ-LSDHHAIUSA-N 320.481 2.615 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O 409241469 XRUIQMRZRDZWOA-ACCUITESSA-N 303.362 2.573 0 40 DFAB CCn1c(N)nnc1SCc1ccc(Br)cc1 28047339 IIIVRRZWIUWGKE-UHFFFAOYSA-N 313.224 2.935 0 40 DFAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OC 408889557 FFNQUAXTYPNGSW-POHAHGRESA-N 312.778 2.886 0 40 DFAB CCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2C)n1 42651230 IYAZVMPIAOKZQM-VIFPVBQESA-N 316.390 2.676 0 40 DFAB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCn1cccc1 524731536 BDHMHVLDVGSLMB-DLBZAZTESA-N 303.450 2.601 0 40 DFAB biogenic O=C(NC1(c2cccc(Br)c2)CC1)c1csnn1 77126610 ADGUWNHUCRIBGF-UHFFFAOYSA-N 324.203 2.720 0 40 DFAB Cn1cc(CCC(=O)NCC2CCOCC2)c2ccccc21 79191880 ALMRMWVTXTWLDI-UHFFFAOYSA-N 300.402 2.654 0 40 DFAB biogenic C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(N)=O 72749801 IWABFAXIGHUQPZ-LLVKDONJSA-N 300.383 2.905 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238214 FSBRAVFWDVQKLH-WBVHZDCISA-N 302.418 2.773 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cn1 72330191 VRUQBQKRWKOPQZ-UHFFFAOYSA-N 310.353 2.526 0 40 DFAB Cc1ccc(Cc2nnc(NC(=O)COc3ccccc3)o2)cc1 36657190 IGDGTMVQNMQAPI-UHFFFAOYSA-N 323.352 2.986 0 40 DFAB CCn1nc(CC(C)C)cc1C(=O)N1CC(c2ccncc2)C1 72125326 KWIHOZOILXQZNZ-UHFFFAOYSA-N 312.417 2.736 0 40 DFAB C[C@H](c1cnccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203750 KCTYSEIGRUIQPC-CYBMUJFWSA-N 320.437 2.774 0 40 DFAB Cc1cc(CNC(=O)c2cnc3[nH]c(O)nc3c2)ccc1Cl 561979820 JWEBEVFPFHAXKE-UHFFFAOYSA-N 316.748 2.555 0 40 DFAB OCCN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72343740 MFBARDKVLYKAKT-AWEZNQCLSA-N 317.820 2.969 0 40 DFAB CCOc1c(F)cccc1C(=O)NCc1ccc(OC)nc1 79386494 DQBQZYGZSBPTMW-UHFFFAOYSA-N 304.321 2.558 0 40 DFAB O=C(NC[C@H]1CCCOC1)c1cc(O)cc(C(F)(F)F)c1 521394916 CCUWJNPZDTZTOS-SECBINFHSA-N 303.280 2.567 0 40 DFAB O=C(OCCOc1cccnc1)c1ccc(-n2cccc2)nc1 84695046 OZOFIVKVESJGDK-UHFFFAOYSA-N 309.325 2.503 0 40 DFAB Cc1occc1S[C@H](C)C(=O)Nc1sccc1C(N)=O 131322406 GBUVLLZJPVPWIQ-MRVPVSSYSA-N 310.400 2.868 0 40 DFAB CCCCNC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 199402136 GKXAVOGSFUESIQ-UHFFFAOYSA-N 318.417 2.544 0 40 DFAB O=c1[nH]c(CNc2ccc(F)cc2)nn1CCc1ccccc1 40286445 ZTICORRMIZHKBG-UHFFFAOYSA-N 312.348 2.565 0 40 DFAB Cc1ccc(N(C)C(=O)c2cnc3sccn3c2=O)cc1C 223035978 JDVGIIYCVDYVCZ-UHFFFAOYSA-N 313.382 2.649 0 40 DFAB O=C(Nc1ccncc1)c1ccnc(O[C@H]2CCSC2)c1 225721255 GKHFRLQQLKZQRR-ZDUSSCGKSA-N 301.371 2.613 0 40 DFAB Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(C)(=O)=O 130034887 CAUOQZIOUQLYTB-UHFFFAOYSA-N 307.419 2.850 0 40 DFAB CCN(C)CCNC(=O)[C@H](C)c1ccc(Br)s1 80267733 KLWGGMQIBDMUPN-SECBINFHSA-N 319.268 2.682 0 40 DFAB CCO[C@](C)(C(=O)Nc1cnc(OCCOC)c(C)c1)C1CC1 225902598 BTQDGWXCNMHYQM-KRWDZBQOSA-N 322.405 2.559 0 40 DFAB Cc1nc([C@@H](Nc2ncnc3onc(C)c23)c2ccccc2)n[nH]1 195513058 OLTNWRITLBBABN-ZDUSSCGKSA-N 321.344 2.554 0 40 DFAB Cc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)s1 96054995 HZYCGVSHOGVBGK-HZPDHXFCSA-N 306.475 2.742 0 40 DFAB c1ccc(CSCCN2CCN(C3CCOCC3)CC2)cc1 192610054 QCNDBOPYMNIEPG-UHFFFAOYSA-N 320.502 2.716 0 40 DFAB O=C(CC1CC1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 96239280 BREUGVUSFGMNFG-MRXNPFEDSA-N 304.415 2.504 0 40 DFAB CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cccnc1 96200842 JYTPWVABRXPINW-CVEARBPZSA-N 315.442 2.531 0 40 DFAB COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc3nncn3n2)c1 578835144 YETFDDYMLQKQGQ-DOMZBBRYSA-N 309.373 2.720 0 40 DFAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cnoc1C1CC1 583619722 UXOQIIYMVNPCRU-BZUAXINKSA-N 306.406 2.568 0 40 DFAB Fc1ccc2nc(CO[C@H]3CN(CC4CC4)C[C@H]3F)[nH]c2c1 96112234 SOIPNELJCUYZGI-DOMZBBRYSA-N 307.344 2.651 0 40 DFAB biogenic,in-vitro Cc1cnc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)o1 95404870 MQHMDWDKXQTBAR-AWEZNQCLSA-N 314.307 2.999 0 40 DFAB CN(C)c1cccc([C@H]2CCCN2c2ncnc3[nH]cnc23)c1 96456218 CWPRVGLBBQSZHG-CQSZACIVSA-N 308.389 2.760 0 40 DFAB CC(C)[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)O 97160154 QUOJPFFOONHFSL-LLVKDONJSA-N 312.728 2.799 0 40 DFAB COc1ccc(C[C@H]2CN(C(=O)C3CC3)CC[C@@H]2OC)cc1 96110583 OESOLHHQMBTQOE-RDJZCZTQSA-N 303.402 2.511 0 40 DFAB CC(C)=CC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408167 ZMGMBGQDKZZLGQ-GFCCVEGCSA-N 310.344 2.949 0 40 DFAB N[C@@H](c1ccccc1)c1n[nH]c(-c2ccc(Br)o2)n1 95533476 TUKGIWWOIHQOCU-NSHDSACASA-N 319.162 2.875 0 40 DFAB CC[C@H](C)NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 242858658 GDYARDUHXFIKSL-HNNXBMFYSA-N 324.424 2.849 0 40 DFAB O=C(c1cccnn1)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257213087 CGDGJDWUJYVTRN-FVQHAEBGSA-N 323.396 2.544 0 40 DFAB Cc1nn(C)c2nc([C@@]3(C)CCCN(c4ccncn4)C3)ccc12 257279617 OHKBEVARHBOXCE-SFHVURJKSA-N 322.416 2.625 0 40 DFAB Nc1cc(CC[C@@H]2CN(Cc3cccc(F)c3)CCO2)ccn1 257336703 YPQNIWKXQKSCIZ-QGZVFWFLSA-N 315.392 2.637 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)nc1 585276899 PUMZCFWQXZUOJX-OALUTQOASA-N 324.424 2.527 0 40 DFAB Cc1ccc(OC[C@@]2(O)CN(C3CCCCC3)CC[C@@H]2O)cc1 585284086 UVSSXNGBKIKCTR-OALUTQOASA-N 319.445 2.504 0 40 DFAB COC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 54529896 MYEHUAZMGZCVGF-CHWSQXEVSA-N 304.390 2.675 0 40 DFAB C[C@@H](C(=O)Nc1ncccn1)N1CCc2c(Cl)cccc21 95978810 JZOCEEDKZSEWOR-JTQLQIEISA-N 302.765 2.520 0 40 DFAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccn1 5456008 OOJBHDHVARCJIT-KRWDZBQOSA-N 324.380 2.992 0 40 DFAB CN(C)Cc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 153870032 DKVZZWNXNHBSNU-UHFFFAOYSA-N 308.378 2.688 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 245093432 RNFJCXABUVJJOS-NSHDSACASA-N 315.339 2.841 0 40 DFAB COc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1F 2625597 FTDFNVFVWJUPGI-UHFFFAOYSA-N 320.364 2.979 0 40 DFAB c1ccc(OC[C@H]2CCN(c3cnc4ccccc4n3)C2)nc1 1888959346 QTGOKDIDEIZCIR-AWEZNQCLSA-N 306.369 2.930 0 40 DFAB CC[C@H]1CN(c2cnn(-c3ccccc3)c(=O)c2Cl)CCO1 23888071 ISCGXQJDUPJEQT-ZDUSSCGKSA-N 319.792 2.501 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCCN2CCC[C@H]2C1 19112167 RMTMSQYHRYSJNV-INIZCTEOSA-N 311.429 2.797 0 40 DFAB CCCCOc1ccc(C(=O)NC[C@@](C)(O)CSC)cc1 75157260 QLEGJXJNMWVGJZ-MRXNPFEDSA-N 311.447 2.709 0 40 DFAB CCOC(=O)CCC(=O)Nc1nc2ccc(OCC)cc2s1 20011254 PGHBYSSTXZHYJI-UHFFFAOYSA-N 322.386 2.977 0 40 DFAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 51688 OCJYPTXTMYFBMU-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB in-vitro O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCCC1 30997833 XHAVRQDNUZKHCE-UHFFFAOYSA-N 301.390 2.555 0 40 DFAB COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@H]2C32CC2)c1 100373462 LYJUWOLHXJASTH-AJNGGQMLSA-N 313.353 2.547 0 40 DFAB Cc1noc(CS(=O)(=O)Cc2cccc3ccccc23)n1 40528612 DVHQXJJGYDTULD-UHFFFAOYSA-N 302.355 2.646 0 40 DFAB Cc1cc(C)n(CCCNC(=O)[C@H](C)OCc2ccccc2)n1 40514031 UPQYWMYBWGANSF-INIZCTEOSA-N 315.417 2.612 0 40 DFAB CC(C)(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2ccccc21 20737249 NWCVNHSPCPZOFZ-QGZVFWFLSA-N 310.357 2.868 0 40 DFAB CC(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 46050037 JXRDWKAUGZCLQE-AWEZNQCLSA-N 322.424 2.830 0 40 DFAB COCCCCNC(=O)CCNc1cc(Cl)ccc1OC 60166824 KKYIXUDUPWBPBM-UHFFFAOYSA-N 314.813 2.693 0 40 DFAB O=C(NC(=S)Nc1cccc(F)c1)c1ccc2c(c1)OCO2 558363 GGGIWOOALKZLBY-UHFFFAOYSA-N 318.329 2.681 0 40 DFAB CCCc1cc(Nc2ccc(C(=O)OC)cc2)n2ncnc2n1 1326824 FAEUQRMUSKJHHC-UHFFFAOYSA-N 311.345 2.607 0 40 DFAB COC(=O)Cn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 4932894 KMICMGNYDXQDQE-UHFFFAOYSA-N 307.373 2.809 0 40 DFAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(C)c1 415952 XKPYCSUWTIELCS-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB O=C(O)COc1cccc(/C=N/NCc2ccc(Cl)cc2)c1 10119029 WQMFMIGXTWXQAY-VXLYETTFSA-N 318.760 2.927 0 40 DFAB NC(=O)[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 10376669 SKAQQPKCGYNMLN-KRWDZBQOSA-N 320.348 2.861 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)CCOc1ccc(Cl)cc1 46746363 PBYGZQAIBCGFQQ-UHFFFAOYSA-N 307.781 2.501 0 40 DFAB Cc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@H]2C)cc1 2873960 TWUHJIAGJSKONL-ZFWWWQNUSA-N 303.406 2.954 0 40 DFAB O=C(O)CNC(=O)CCn1c(-c2ccccc2)cc2ccccc21 12324567 IZCSPMNDBBUOMV-UHFFFAOYSA-N 322.364 2.899 0 40 DFAB COc1ncccc1CNC(=O)c1cc(Cl)c(Cl)n1C 47472970 IPPPGIZPFGHNSN-UHFFFAOYSA-N 314.172 2.666 0 40 DFAB CC(C)(C)C1CCC(C(=O)N[C@]2(C)CCS(=O)(=O)C2)CC1 42369900 MTFPYISHNXNHAP-SEEARECTSA-N 315.479 2.532 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(C(C)(C)C)no2)c1C 23905168 YTSRTHNJEBVVHP-UHFFFAOYSA-N 319.361 2.872 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 12539579 ASURZGBYVRLXDC-JTQLQIEISA-N 309.325 2.783 0 40 DFAB COc1ccc(NC(=O)NCCc2nc3ccccc3[nH]2)cc1 54950144 OPEHGLWDLSNFJE-UHFFFAOYSA-N 310.357 2.936 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 57355967 QQRBDJGOXBLVCZ-WBVHZDCISA-N 302.418 2.677 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(-c2ccccc2)on1 24991385 CSACQLSYUTUJLC-CQSZACIVSA-N 322.368 2.883 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cccs3)cc12 25012820 LOAOTIWPLRCGOX-UHFFFAOYSA-N 301.327 2.663 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1F 3223898 KOFDVPSOMZTUDA-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1cc(N2CCC[C@@H]3CN(C)CC[C@H]32)nc(-c2ccccn2)n1 107591485 RGTKXDKOQGDWKW-NVXWUHKLSA-N 323.444 2.768 0 40 DFAB C[C@@H](NC(=O)NCCc1cn2ccccc2n1)c1ccccc1 26288143 IKCMWBUMYGARIK-CQSZACIVSA-N 308.385 2.937 0 40 DFAB CC[C@H](C)[C@@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 57073388 GJXXRJYHINFXCU-UONOGXRCSA-N 302.418 2.973 0 40 DFAB O=C(N[C@H](c1ccccn1)C1CCCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108106077 CTEQKIDKPSXOJK-DZUCGIPZSA-N 315.417 2.932 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccs1 3219535 OZAMCKHSUIXOET-LLVKDONJSA-N 301.367 2.883 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355026 ICFBIUNUNBPFBG-BBRMVZONSA-N 306.381 2.652 0 40 DFAB Cc1nc2ccccc2n1C[C@@H](O)c1ccc2c(c1)OCCO2 58137463 VLSCGRULVMHIQH-MRXNPFEDSA-N 310.353 2.850 0 40 DFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 58228304 KOBJBNOYIXEWJA-IRXDYDNUSA-N 314.429 2.697 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F 58266010 IRFVJHFOEKOFHX-VHSXEESVSA-N 324.343 2.891 0 40 DFAB CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 10862007 FWCIZZCWPIUUFN-GFCCVEGCSA-N 318.354 2.582 0 40 DFAB CCCSc1nnc(S[C@@H]2CCCCNC2=O)s1 11447165 OMDYIRSYSDUQES-MRVPVSSYSA-N 303.478 2.801 0 40 DFAB Cc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1 8231434 ZFHRYVRRVAHRBT-UHFFFAOYSA-N 312.420 2.863 0 40 DFAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1 5045759 YPLUVTAYUWMFND-HNNXBMFYSA-N 301.434 2.552 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1C 408612715 YJPQTEPKVNTKMY-UHFFFAOYSA-N 304.371 2.754 0 40 DFAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(C(C)C)cc2)n1 5121270 DLYWBYHTVJUBJQ-UHFFFAOYSA-N 320.418 2.522 0 40 DFAB Cc1cnc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cn1 5281241 CRGYQXPTLNOXIK-UHFFFAOYSA-N 320.732 2.567 0 40 DFAB CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C1CCCCC1 65593717 LKXKBLAZVCYDNV-DOMZBBRYSA-N 306.406 2.873 0 40 DFAB CCC[C@H](NC(=O)Nc1ccncc1)c1nnc2ccccn12 65554104 GTTKXLVSVMXPRZ-ZDUSSCGKSA-N 310.361 2.787 0 40 DFAB CC[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc(C)on1 14164001 CPNSNKJRGPREPB-SNVBAGLBSA-N 317.374 2.535 0 40 DFAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1cccnc1 65626182 YPCREMMBGNLGNG-LLVKDONJSA-N 310.806 2.916 0 40 DFAB C[C@@H](NCc1cccn1CCN1CCOCC1)c1ccccc1 4681399 YVEKMLDJMIOZMW-QGZVFWFLSA-N 313.445 2.671 0 40 DFAB Cc1cc(CNC(=O)NCCc2nc(C(C)(C)C)cs2)on1 69584046 AMVDBEGJPXAROL-UHFFFAOYSA-N 322.434 2.779 0 40 DFAB Cn1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1=O 69625252 OBFBHZKHHXCADD-QGZVFWFLSA-N 310.397 2.623 0 40 DFAB CC1CCC(N(C)C(=O)c2ccccc2SCC(N)=O)CC1 69639894 CHLXYAOAYGWROE-UHFFFAOYSA-N 320.458 2.915 0 40 DFAB COC1CN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C1 69741106 FXCHNBQZENRBNO-UHFFFAOYSA-N 324.380 2.718 0 40 DFAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCOc3ccccc32)cc1 7312726 XGYNUXOHXIDTLH-QGZVFWFLSA-N 324.380 2.828 0 40 DFAB O=C(CCN1CCSC1=O)Nc1ccc(OC(F)F)cc1 8945028 HQTHJSNKNMVGJE-UHFFFAOYSA-N 316.329 2.785 0 40 DFAB COC(=O)c1sccc1NC(=O)COc1ccccc1F 9390213 GSICSKJYXPDZOW-UHFFFAOYSA-N 309.318 2.691 0 40 DFAB O=C(NC1CC1)C1CCN(c2ncccc2C(F)(F)F)CC1 54837615 DSOHSWDKVFZWRC-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB CCc1nnc(CN2CCN([C@H](C)c3ccsc3)CC2)o1 97142305 TWHGZTNPEORKPU-GFCCVEGCSA-N 306.435 2.572 0 40 DFAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1 9498876 SJCWQUWGIQGNGH-UHFFFAOYSA-N 321.380 2.976 0 40 DFAB NC(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 71828121 MKAQAXGIZATXHO-MOPGFXCFSA-N 324.424 2.659 0 40 DFAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 71847047 SJTSANKIJGFHFQ-DOTOQJQBSA-N 310.401 2.562 0 40 DFAB Cc1cc(C)nc(NC(=O)N[C@H](C)c2nnc3ccccn23)c1 97378647 GLXVRGIZPZUJFH-GFCCVEGCSA-N 310.361 2.624 0 40 DFAB CC(C)(NC(=O)c1ccc(Br)o1)C(C)(C)C(=O)O 87622070 BIQCJHLKXDGAAI-UHFFFAOYSA-N 318.167 2.661 0 40 DFAB C[C@@H]1CN(C(=O)Nc2cccc([S@](C)=O)c2)C[C@@H](C)S1 76070113 DMXNOEALVHNFGV-SUTOTMHJSA-N 312.460 2.782 0 40 DFAB CCc1nc(CN(C)c2cc(-c3ccc(OC)cc3)n[nH]2)no1 77360850 FEHIMJPYWJIOJF-UHFFFAOYSA-N 313.361 2.667 0 40 DFAB CN1C(=O)C[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(F)cc1 95440523 FSULQBPVOMNTFJ-HIFRSBDPSA-N 318.373 2.589 0 40 DFAB O=C(c1ccc[nH]1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 95453515 PCIIYMRWHNCDQP-CQSZACIVSA-N 307.357 2.777 0 40 DFAB CNc1snc(C)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C 95405247 ZFGYSWSCNFGXSY-OLZOCXBDSA-N 322.478 2.581 0 40 DFAB Cc1ccc(NC(=O)NCCc2ccncc2C)c(N(C)C)n1 95437972 XEALJFXQEPBRHG-UHFFFAOYSA-N 313.405 2.524 0 40 DFAB CC(=O)NCCCS[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 78758457 FRZHKLKRGFILBI-QWHCGFSZSA-N 320.458 2.612 0 40 DFAB C[C@@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)n1cccc1 95992388 KHNSRXOUGUZERL-HNNXBMFYSA-N 313.401 2.520 0 40 DFAB CCCCN(C)c1ccc(C(=O)N[C@@H](CCO)CSC)cc1 89953529 QSDQKADSUQCODQ-HNNXBMFYSA-N 324.490 2.767 0 40 DFAB CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1nnn[nH]1 89949555 KTHZYBXSTHEORL-UPJWGTAASA-N 319.796 2.614 0 40 DFAB COc1ccc2oc(C)c(C(=O)NC3(C(=O)O)CCCC3)c2c1 75572616 NYNNEUUHDKNERY-UHFFFAOYSA-N 317.341 2.877 0 40 DFAB CCc1ccc2c(c1)CCN(C(=O)N[C@@H]1CCn3ccnc31)C2 1548454032 ZEZRGSFQHWBIJD-MRXNPFEDSA-N 310.401 2.658 0 40 DFAB Cc1ccccc1COc1ccccc1C(=O)N1CC[C@H](N)C1 152498826 CMUVKAGQQDQJDR-INIZCTEOSA-N 310.397 2.747 0 40 DFAB CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NCC(=O)O 79416203 VJMHYEPZFBROKG-DLBZAZTESA-N 304.434 2.882 0 40 DFAB COc1ccc2nc(CN3C[C@H]4CCCN4C[C@@H]3C)ccc2c1 72324520 DRNXFUKSMYPUDH-WMLDXEAASA-N 311.429 2.912 0 40 DFAB COC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 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O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCSc2c(F)cccc21 81478535 QZBKOQQGWLVMCL-WDMOLILDSA-N 322.405 2.599 0 40 DFAB CO[C@@H]1CC[C@@H](NC(=O)NC2CCN(c3ccccc3)CC2)C1 191801522 GZSBWOZDVCKFNE-NVXWUHKLSA-N 317.433 2.522 0 40 DFAB C[C@H](NC(C)(C)C(=O)NCC1CCCC1)c1ccc(F)cn1 195551682 RWYGKQRNCNQBQU-LBPRGKRZSA-N 307.413 2.956 0 40 DFAB COc1ccc([C@@H](C)NC(=O)NCc2ccn(C)c2)c(OC)c1 96448363 WQCNLZYLUQFFJL-GFCCVEGCSA-N 317.389 2.603 0 40 DFAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccccc2O)n[nH]1 95533938 HPBHTDXWRSSZNK-CYBMUJFWSA-N 300.749 2.879 0 40 DFAB CCC1=C(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1 583621333 RKYGYGBQCHZNPM-GOEBONIOSA-N 319.376 2.935 0 40 DFAB c1ncn2c1CN(CC1CCC1)C[C@@H](COCC1CCC1)C2 96209750 JFDVVYYQMXNZJY-QGZVFWFLSA-N 303.450 2.932 0 40 DFAB CSCC[C@H]1NC(=O)N(CCCc2ccccc2C)C1=O 96460802 CYNUBJZHETXBHR-CQSZACIVSA-N 306.431 2.601 0 40 DFAB Cc1ccc(CN2Cc3cncn3[C@@H](CN3CCCCC3)C2)o1 248056421 CCEUEASDYWBSLA-KRWDZBQOSA-N 314.433 2.827 0 40 DFAB COc1ccccc1CN1CC2(C1)OCC[C@H]2COCC1CC1 248120532 DWKKIUHZPHKQCX-KRWDZBQOSA-N 317.429 2.713 0 40 DFAB C[C@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1Oc1ccccc1 257256148 KKGNFJZQCGERGZ-HKUYNNGSSA-N 311.381 2.731 0 40 DFAB CCn1cc(C(=O)N2CCC(Cc3ccncc3)CC2)c(C)n1 257285274 PGKCNDZEGVDTJU-UHFFFAOYSA-N 312.417 2.701 0 40 DFAB CC(C)(C)CN1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257313229 URMNQMWQPTWCTO-KRWDZBQOSA-N 312.417 2.958 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2cccnn2)CC1 257320435 VWUXQOVWOIQUDN-UHFFFAOYSA-N 322.821 2.780 0 40 DFAB Cc1nnsc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C 262514232 KYHLFXFMFREOLF-UHFFFAOYSA-N 321.358 2.584 0 40 DFAB C[C@H]1COc2ccccc2CN1C(=O)[C@@H](C)Oc1cccnc1 272969229 OUAQQAAIGDYIJQ-UONOGXRCSA-N 312.369 2.659 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NCc1cc(F)ncc1F 295541421 XLBFIDQLGHFJLC-UHFFFAOYSA-N 315.364 2.753 0 40 DFAB O=C(NCCCn1ccc2cccnc21)NCCc1ccccc1 96353505 BOPMMTTXQWBEFX-UHFFFAOYSA-N 322.412 2.968 0 40 DFAB CC(C)CCC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575402665 DTTAZCIKOYKYAD-HNNXBMFYSA-N 320.458 2.983 0 40 DFAB O=C(CC1CCCC1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585279198 WZOZUELIGDONBW-SFHVURJKSA-N 321.392 2.748 0 40 DFAB CO[C@@H](CNC(=O)Cn1c(C)nc2ccccc21)c1ccccc1 56472800 SBPWMPWIJYPZCO-SFHVURJKSA-N 323.396 2.849 0 40 DFAB c1ccc(-c2cnc(CN3CCC[C@H]3Cn3cncn3)o2)cc1 69601445 ZXXXJHROGBLFQK-HNNXBMFYSA-N 309.373 2.598 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)CCc2cnn(C)c2)c1 71882790 ZAVQCVTUJSTIJJ-UHFFFAOYSA-N 317.389 2.787 0 40 DFAB Nc1cc(F)c(I)c(Br)c1 575722972 QBZSDQPAVVBXBH-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB COc1ccccc1C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 5153369 RZMFKAXRKXVFSV-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB COC(=O)CC1(Cc2ccccc2)C(=O)CC(C)(C)CC1=O 5414963 VWSNOVGDKTXWKA-UHFFFAOYSA-N 302.370 2.737 0 40 DFAB C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2CCCCN2[C@H]1C 5758912 YDJNSPIIQAKURJ-ONIAQPFYSA-N 300.446 2.997 0 40 DFAB CCCNS(=O)(=O)c1cc(C)c(C)cc1Br 11614131 XCCAECZRXPYNMX-UHFFFAOYSA-N 306.225 2.754 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2C)c(OC)c1 14255288 STGLMPHKXUVODG-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccco3)o2)c1 153782464 YWIAWWROPMNVKA-UHFFFAOYSA-N 319.342 2.747 0 40 DFAB O=C(NCC1CCN(C2CCSCC2)CC1)C1CCCC1 240122379 VXVCABMLBLXOQM-UHFFFAOYSA-N 310.507 2.900 0 40 DFAB CCOc1ccc(Cc2nnc(Nc3ccccc3)[nH]c2=O)cc1 5154310 CZVWAEJYVFOEOW-UHFFFAOYSA-N 322.368 2.898 0 40 DFAB CCOCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136378 LXUPVCSSKCQYMC-UHFFFAOYSA-N 304.390 2.597 0 40 DFAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccc(F)cc1)OC2=O 100190138 OVCVRESKSQIMFO-IRXDYDNUSA-N 305.349 2.564 0 40 DFAB O=C(Cn1ccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 73172268 FFWHENDEDVTEDY-CYBMUJFWSA-N 312.398 2.857 0 40 DFAB O=C(O)c1ccccc1N[C@@H]1CC(=O)N(C2CCCCC2)C1 13944152 BQLSIYMARCFHCW-GFCCVEGCSA-N 302.374 2.730 0 40 DFAB O=S(=O)(NCc1ccc(F)cc1)c1cc(F)cc(F)c1 10492775 MDHCFFUZRIDGHT-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1nc(-c2cccs2)oc1=O 40010013 PTTVKMRHQHAXFV-LLVKDONJSA-N 323.418 2.650 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 20135945 WESBRVLWAJIVSP-QGZVFWFLSA-N 314.360 2.774 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)CC[C@H]3CCCO3)cn2)n1 31215869 IONLDSWABLPCJA-OAHLLOKOSA-N 314.389 2.782 0 40 DFAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@@H](C(F)(F)F)C1 40508608 IXYCQWFOJBMQDG-LLVKDONJSA-N 324.306 2.682 0 40 DFAB CCNC(=O)COc1cccc(NC(=O)c2cccs2)c1 31816640 LCGNYABRJANCEB-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB O=C1C[C@H](Sc2ccccn2)C(=O)N1c1ccc(F)cc1F 100932445 IXOMBTUFCURFHX-LBPRGKRZSA-N 320.320 2.784 0 40 DFAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1F 101277678 PWOOGKIYSGUCPQ-CABCVRRESA-N 324.315 2.632 0 40 DFAB O=C(COc1ccc(F)cc1F)Nc1n[nH]c2ccccc12 32796911 PGTCQWSLIQAIME-UHFFFAOYSA-N 303.268 2.859 0 40 DFAB CCCCC[C@@H]1[C@H](O)C(=O)OC1(C(F)(F)F)C(F)(F)F 1614723 ZCDBTMTVDOKNEI-RQJHMYQMSA-N 308.218 2.964 0 40 DFAB COc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cn1 32827539 GTXGSUFCHDCCIL-UHFFFAOYSA-N 310.357 2.928 0 40 DFAB Cc1ccc(C(=O)NCc2ccccc2Cn2cncn2)s1 32818637 UEVQBRWTXQDAON-UHFFFAOYSA-N 312.398 2.626 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)c1nn(C)c(=O)c2ccccc12 32964004 MNPLKXGHPUGUHW-CHWSQXEVSA-N 312.369 2.693 0 40 DFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 6648350 OFNJOJLUSRRSSX-WQLSENKSSA-N 322.386 2.541 0 40 DFAB CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2cscn2)CCO1 97048119 JYNGQAALQQCYNC-JSGCOSHPSA-N 311.451 2.926 0 40 DFAB Cn1cc(CCOC(=O)[C@@H]2SCCc3sccc32)cn1 97010610 BEIGQSZCMZHQFQ-CYBMUJFWSA-N 308.428 2.598 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H]2CCc3nccn3C2)o1 72278633 SGOFYZOGCHIEKB-NFAWXSAZSA-N 313.401 2.663 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2Cl)CN1 42783171 VHWFSPDLGCFQJD-WKEGUHRASA-N 324.591 2.929 0 40 DFAB Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@H]1C=CCN1 55283340 HIKNXYZFEQUCRO-CYBMUJFWSA-N 314.414 2.644 0 40 DFAB COc1c(Cl)cc(C(=O)Nc2cnn(C)c2)cc1Cl 25306624 FAZIOVFCHXNYNJ-UHFFFAOYSA-N 300.145 2.988 0 40 DFAB CCOc1cccc2sc(NCCCN3CCOCC3)nc12 26424079 NSKHZJSMUZUMQJ-UHFFFAOYSA-N 321.446 2.829 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1 57383227 HYGDAGSHRJDCRJ-KRWDZBQOSA-N 323.440 2.514 0 40 DFAB COC(=O)CCCNC(=O)c1cc(Cl)ccc1OC(C)C 55092089 MGFUKYLNKHRVFN-UHFFFAOYSA-N 313.781 2.810 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N(CC)CC 104185479 IIAFWZHOVHOMHU-YHUYYLMFSA-N 306.450 2.552 0 40 DFAB O=C(O)[C@H]1CCC[C@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 108657147 HCFFJDQOJNZFRB-QWRGUYRKSA-N 313.756 2.986 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cnsn2)c(OC)c1 47817230 VMVUNZNKTIKJMI-CYBMUJFWSA-N 319.386 2.533 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)Cn1cccn1)c1nc2ccccc2[nH]1 58214276 MHUDAYYZFHKYMA-BLLLJJGKSA-N 311.389 2.663 0 40 DFAB CC(C)CNc1nc(Nc2ccc(F)cc2)c2n[nH]nc2n1 62022659 YTSNXIQWXZAHRR-UHFFFAOYSA-N 301.329 2.699 0 40 DFAB C[C@H](C(=O)N1CCCCCC1)n1cc(Br)cn1 28224569 PEOARXBZXFQLQC-SNVBAGLBSA-N 300.200 2.609 0 40 DFAB C[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)NC1CC1 12757125 MNBKCUGMUACKMB-ZDUSSCGKSA-N 301.386 2.709 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497274 MKLSMCJQKJRMRF-NSHDSACASA-N 316.357 2.722 0 40 DFAB CCOC(=O)c1ccc(NCc2cc(OC)ccc2OC)nc1 12927799 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CC(=O)c1cnn(-c2cc(N(C)C)nc(-c3ccccc3)n2)c1C 5427371 DCOXOPYNMHMIDH-UHFFFAOYSA-N 321.384 2.906 0 40 DFAB COC(=O)c1ccccc1NC(=O)COc1ccc(F)c(F)c1 5476358 MSALWJJOZAJGCO-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB O=C(CCN1CCC[C@@H](c2ccccc2)CC1)N1CCOCC1 66897936 MQUWOAVWQBUWGI-GOSISDBHSA-N 316.445 2.505 0 40 DFAB O=C(Nc1ccncc1F)N1CCN(C2CCCCC2)CC1 97135733 XBBHWINHCHKJSZ-UHFFFAOYSA-N 306.385 2.703 0 40 DFAB COc1ccc(NC(=O)NC(=O)CSc2ccccn2)cc1 9322245 KUMRGDXJRHMCST-UHFFFAOYSA-N 317.370 2.531 0 40 DFAB CCc1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1CC 97161801 JFWBQZURSZEPDN-DYVFJYSZSA-N 320.433 2.815 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCCC2)cc1 7377760 GFYFTOKXEPDRLD-UHFFFAOYSA-N 310.419 2.600 0 40 DFAB Cc1ccc(-c2nc(CN3CCn4c(C)nnc4C3)co2)cc1 69444561 FCCFHHJITJQHGR-UHFFFAOYSA-N 309.373 2.566 0 40 DFAB O=C(Cn1cncn1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 69461305 SNGWRYIHGSEZNC-MRXNPFEDSA-N 318.808 2.979 0 40 DFAB CC(=O)NCCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 69437361 LJHYFGCXDXRIQB-VIFPVBQESA-N 317.216 2.739 0 40 DFAB 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2.697 0 40 DFAB O=S(=O)(c1cccnc1)N(Cc1ccc(F)cc1)CC1CC1 71909134 FORTYDUNSLTCCI-UHFFFAOYSA-N 320.389 2.822 0 40 DFAB CC(C)(CN1C(=O)N[C@@H](CC(F)F)C1=O)c1cccc(F)c1 97232377 NXWMOONGZZSPQD-NSHDSACASA-N 314.307 2.679 0 40 DFAB CCC(=O)N1CC[C@H](NCc2cccc3cccnc23)[C@@H](C)C1 78897286 LNTYINJMMKFWOB-YOEHRIQHSA-N 311.429 2.971 0 40 DFAB COc1ccc2ccccc2c1CNC(=O)c1c[nH]c(C)cc1=O 72868298 OOKZQDOJCHFZSX-UHFFFAOYSA-N 322.364 2.775 0 40 DFAB CCCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 95397669 VZJKFCQWFKVXEA-NVXWUHKLSA-N 319.449 2.787 0 40 DFAB CCCNC(=O)c1ccc(NCc2c(C)nn(CC)c2C)nc1 79031144 GJZVAPOIHJZQKI-UHFFFAOYSA-N 315.421 2.667 0 40 DFAB CC[C@@](C)(CO)NC(=O)Nc1ccc(F)cc1OC(F)F 84721203 XJCUEZDYGWBXLL-ZDUSSCGKSA-N 306.284 2.710 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC1(c2ccccc2)CC1 95401085 FVQSPBHPHDFWCC-KFWWJZLASA-N 300.402 2.788 0 40 DFAB COc1ccccc1N(CC(F)(F)F)C(=O)Cc1ccon1 95405652 OZWBTFUZKPKEFR-UHFFFAOYSA-N 314.263 2.821 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)N[C@H](CO)c1ccccc1 79144501 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CCOC(=O)N[C@H](CNC(=O)c1ccc(C)cc1)CC(C)C 31705777 SAVADNXHOAADMY-HNNXBMFYSA-N 306.406 2.886 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC2(CC1)OCCS2 70637404 YVMZIJCZRVWEHX-UHFFFAOYSA-N 322.386 2.503 0 40 DFAB Cn1nc2c(c1NC(=O)c1cn(C)c3ccccc13)CSC2 71281621 VTYZRTNKLMJPCX-UHFFFAOYSA-N 312.398 2.911 0 40 DFAB CC[C@H]1CCC[C@H](NC(=O)N2CCC(OCCOC)CC2)C1 77610807 AYOFDSDRUYIFRQ-GJZGRUSLSA-N 312.454 2.792 0 40 DFAB CCc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC 74935009 UPCFYIMIRGEFRY-UHFFFAOYSA-N 323.389 2.875 0 40 DFAB Cc1noc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2c2ccccc2)n1 225806919 JEWTXBXFURSSQQ-CABCVRRESA-N 323.352 2.994 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 45958412 JMZITMRKAJERES-AWEZNQCLSA-N 309.365 2.854 0 40 DFAB COc1ccc(NC(=O)NCCCOCC(C)C)cc1OC 40477758 SCIGWMANQQUSTI-UHFFFAOYSA-N 310.394 2.888 0 40 DFAB COc1cccc(-c2noc(CNC(=O)C3CCCC3)n2)c1 223006831 SIRVZVBLXHXBOD-UHFFFAOYSA-N 301.346 2.552 0 40 DFAB C[C@H](C(=O)NC[C@@H]1CCCCN(C(=O)[C@@H](C)C2CC2)C1)C1CC1 572833248 FIBYOCLUTYFTHF-KKUMJFAQSA-N 320.477 2.824 0 40 DFAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 44005437 CRBQLFRFIAZAJW-UHFFFAOYSA-N 304.371 2.701 0 40 DFAB COc1cc(NC(=O)[C@H]2CCCN(C)C2)c(OC)cc1Cl 82338193 MSRGSSHETGFECV-JTQLQIEISA-N 312.797 2.638 0 40 DFAB Cc1nc(CNc2cc(C(=O)N3CCCC3)ccc2Cl)no1 86207924 FPLMBBYGIGEWOS-UHFFFAOYSA-N 320.780 2.880 0 40 DFAB O=C(OC[C@H]1CCCO1)c1snnc1-c1ccc(F)cc1 223843670 VERHWASPFJFZCJ-LLVKDONJSA-N 308.334 2.680 0 40 DFAB CC(C)c1nc(/C=C/c2cn(C(C)(C)C)nn2)ncc1C(=O)O 191302711 YHSZJMBATGUFGP-VOTSOKGWSA-N 315.377 2.815 0 40 DFAB COc1cc(S(=O)(=O)Nc2cc(C)ccn2)ccc1Cl 95946015 RYULIGPBVBVHPL-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB C[C@@H]1CC=CC[C@H]1COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 230065420 HGMMGGZTHWZAAQ-WOPDTQHZSA-N 319.323 2.543 0 40 DFAB CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4C)C[C@@H]32)C(=O)N1 96261566 KSYJLZKDEPWYGD-JTDSTZFVSA-N 311.429 2.514 0 40 DFAB CC[C@@H](C)CN(CC)C(=O)c1cnc2sc(C)c(C)n2c1=O 96492948 JDOKKFDDQONBQG-SNVBAGLBSA-N 321.446 2.881 0 40 DFAB c1ccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96158069 QQBHDXGLDLKFTA-LJQANCHMSA-N 315.461 2.549 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)NC3CCCC3)C2)cc1 96192781 AFIMRCWAFQPWPU-QGZVFWFLSA-N 302.374 2.637 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)on1 95425904 FMPBTPLFBLOJPF-HIFRSBDPSA-N 324.446 2.925 0 40 DFAB COC[C@H]1CCC2(CCN(C(=O)C3CCCCC3)CC2)N1C 96207888 HSXMKIBYRIOPPN-MRXNPFEDSA-N 308.466 2.669 0 40 DFAB CCn1cc(C(=O)NC[C@](C)(O)c2ccccc2)c(C(C)C)n1 96455667 RYFSTLKQAZYHAD-SFHVURJKSA-N 315.417 2.664 0 40 DFAB O=C(Nc1cccc(CC(F)(F)F)c1)N1CCC[C@@H]1CO 96427362 GJFLXLSOERFLJB-GFCCVEGCSA-N 302.296 2.780 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCOC[C@H]2C[C@@H](C)O)c1 96503293 VNXYUAVKJARZHT-OWCLPIDISA-N 320.433 2.546 0 40 DFAB CC[C@H](C)N1CC[C@@]2(CCCN(c3cc(OC)ncn3)C2)C1 248209071 CHPGPRXBAVEJPL-YOEHRIQHSA-N 304.438 2.576 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)s1 257232803 GMMCQPKOAJPSHG-ZDUSSCGKSA-N 318.446 2.524 0 40 DFAB O=C(Nc1cccc(Cl)c1Cl)c1ccc2nnnn2c1 532327071 ZHTCSMHDJTUNKY-UHFFFAOYSA-N 308.128 2.683 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc(Cl)c1 298141484 OMHXNKAASDZWKM-RISCZKNCSA-N 308.809 2.651 0 40 DFAB COC(=O)c1ccc(Br)n1C(=O)OC(C)(C)C 71624727 SCHZUSCPCITFOF-UHFFFAOYSA-N 304.140 2.820 0 40 DFAB Brc1ccc(N[C@@H]2CCN(c3ccccn3)C2)nc1 89883811 XHNVQHVOJQTASX-GFCCVEGCSA-N 319.206 2.930 0 40 DFAB COc1ccccc1CNCC1CN(C(=O)OC(C)(C)C)C1 95447457 CNQICOOYAYQHDQ-UHFFFAOYSA-N 306.406 2.652 0 40 DFAB Cc1nn(C)c(C)c1CNC(=O)c1ccccc1Br 32611248 IZRNXCALPVNAOX-UHFFFAOYSA-N 322.206 2.729 0 40 DFAB CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 11562920 VMNBLTNOXDCAOG-UHFFFAOYSA-N 323.349 2.841 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)NNc1ccccc1 14257602 MJAXVQMEPMZZQS-UHFFFAOYSA-N 315.398 2.635 0 40 DFAB Cc1cc(Br)cc(C(=O)OCc2nnc(C)n2C)c1 155363547 DRZMONPJVGRRQS-UHFFFAOYSA-N 324.178 2.551 0 40 DFAB Cc1ccc(-c2nnc(CNC(=O)c3ccccc3F)o2)cn1 19215319 ONTNADZFAITJMG-UHFFFAOYSA-N 312.304 2.509 0 40 DFAB Cc1ccc(C)c(N2CCN(c3ncnc(C)c3F)CC2)c1 1888853873 NHZRHWJNTXATCY-UHFFFAOYSA-N 300.381 2.868 0 40 DFAB Cn1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)n1 14899732 ALRRQAGNACEVQQ-UHFFFAOYSA-N 303.321 2.884 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1ccc(F)cc1F 31338082 HOUYWBMTRATUCD-UHFFFAOYSA-N 316.351 2.753 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)c3ccnc(Cl)c3)cc12 37980095 OTYNTHXMPNDCLS-UHFFFAOYSA-N 301.737 2.577 0 40 DFAB CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)OC(C)(C)C 38242840 GFPJDRFAAIJFSY-LOWVWBTDSA-N 303.399 2.758 0 40 DFAB NC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 41081559 WRHAGGIOZHMDLE-UHFFFAOYSA-N 306.163 2.874 0 40 DFAB O=S(=O)(NC(C1CC1)C1CC1)c1ccc(F)c(Cl)c1 24474907 SHFNJYVLBHLZQU-UHFFFAOYSA-N 303.786 2.946 0 40 DFAB Cc1cnc([C@H]2CCN(C(=O)c3cn(C)c4ccccc34)C2)[nH]1 2037677826 ZUROVXCRGZLSMI-ZDUSSCGKSA-N 308.385 2.840 0 40 DFAB CCOCCC(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056224188 GGLNQZOLAGRGBM-HDICACEKSA-N 322.493 2.774 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC(n2cnc3ccccc32)C1 1775974403 QFAZIGXODODLDL-UHFFFAOYSA-N 309.344 2.801 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@H]1COC2(CCCCC2)O1 38936598 KZSHTXTTXJDFHL-ZNFPLGDCSA-N 301.386 2.892 0 40 DFAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cnccn1 524112 GMXRPCIBZMYSPJ-UHFFFAOYSA-N 301.350 2.704 0 40 DFAB CC(C)(C)c1noc(CCC(=O)N2CCc3sccc3C2)n1 31263949 BVFSSUQNYJIQSE-UHFFFAOYSA-N 319.430 2.946 0 40 DFAB O=C(NCCc1ccc2c(c1)OCO2)NCc1cccs1 40474183 WBRLNTJCACSGDE-UHFFFAOYSA-N 304.371 2.519 0 40 DFAB COC(=O)c1oc(CN2CCC(N3CCCCC3)CC2)cc1C 52004777 DGVROIXXHLUREK-UHFFFAOYSA-N 320.433 2.825 0 40 DFAB Cc1ccc(NC(=O)NC(=S)NC(=O)c2ccccc2)cc1 366673 WQYBYCCCGMQQFQ-UHFFFAOYSA-N 313.382 2.831 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 12049499 GQZJCUOABUVDPA-WFASDCNBSA-N 314.410 2.510 0 40 DFAB O=C(O)CCCCCNC(=O)c1cc2ccccc2cc1O 2685645 DMMJFYRBRXGEEC-UHFFFAOYSA-N 301.342 2.920 0 40 DFAB COc1ccccc1C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850521 RNQXGYCSZWMEQT-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB CC(=O)NCCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 7786029 OGRWHPSXIPKRHI-CMDGGOBGSA-N 309.369 2.717 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 41381246 DUDIHYWBEVVYJF-RHSMWYFYSA-N 314.429 2.975 0 40 DFAB COc1ccc2c(c1)C(=O)C[C@@](O)(C(F)(F)C(F)(F)F)O2 510164 LTZOLGNGPHPQHH-JTQLQIEISA-N 312.190 2.547 0 40 DFAB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@@H]2c2ccccc2)no1 100394430 ZUKHTAIFRSERHP-ZQQZQOJVSA-N 322.364 2.912 0 40 DFAB COc1ccc([C@@]2(O)CC(C)=NN2C(=O)c2ccccc2)cc1 711663 FSTGCQCLBJRZKR-SFHVURJKSA-N 310.353 2.762 0 40 DFAB O=C1CCC[C@H]2[C@@H]3C[C@H](CN(c4nc5ccccc5o4)C3)CN12 101875114 YRCQTIHWHYDJDG-NFAWXSAZSA-N 311.385 2.665 0 40 DFAB COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1O 896218 FVEMXQCEJGGXJB-AWEZNQCLSA-N 315.369 2.545 0 40 DFAB biogenic,in-vitro Cc1noc(C)c1CN1CCC[C@@H](C(=O)Nc2ccccn2)C1 47260249 SFUXLSCIRPHHOW-CQSZACIVSA-N 314.389 2.537 0 40 DFAB O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CCC2 25768107 GLDOWHWIDQDETM-UHFFFAOYSA-N 304.400 2.522 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)o1 12529952 QZLBJQSFNTVZAZ-OAHLLOKOSA-N 313.332 2.980 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)no1 76044266 BJASUSNNKHWVEF-YPMHNXCESA-N 307.394 2.672 0 40 DFAB O=C(Nc1ccn(-c2ccccc2)n1)[C@@H]1COc2ccccc2O1 24982679 CQORKKKHTXZJEK-INIZCTEOSA-N 321.336 2.651 0 40 DFAB O=C(Nc1ccccc1-n1ccnn1)c1cc(-c2ccco2)on1 97047222 WSADPLJLSRDVNF-UHFFFAOYSA-N 321.296 2.768 0 40 DFAB NC(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 23046056 AMWDQJIFRZRUSV-UHFFFAOYSA-N 323.757 2.540 0 40 DFAB Cn1cc(NC(=O)CCOc2ccc(Br)cc2)cn1 25310484 BQUXSNCTYMZDQM-UHFFFAOYSA-N 324.178 2.590 0 40 DFAB CCn1cnnc1CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 56402182 AHNNTWRLEPQBRQ-LLVKDONJSA-N 321.812 2.854 0 40 DFAB O=C(NCC1CC1)[C@H]1CCCN(CCCc2ccccc2)C1 47983702 DHJUJYPJDZKBPG-SFHVURJKSA-N 300.446 2.857 0 40 DFAB CC(C)(C)[C@@H]1CCN(CC(=O)NC2CCCCCCC2)C[C@H]1O 108172031 CSIUTHHNPWTILT-IAGOWNOFSA-N 324.509 2.944 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72232221 CPVZVINYFSMPQS-LBPRGKRZSA-N 318.377 2.818 0 40 DFAB CCCOC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 54360753 PAOQOBYDTNCTAF-WQLSENKSSA-N 323.345 2.815 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2)C1 48090504 QYTSAMTWUASGIX-GJZGRUSLSA-N 319.401 2.564 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@H]2CCC[C@H](O)C2)cc1 72295715 CHUFRNSMGRGYKL-HOTGVXAUSA-N 305.418 2.685 0 40 DFAB CCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2132427 JAMUAKBPEKPDLM-ZWNOBZJWSA-N 307.346 2.850 0 40 DFAB biogenic COc1ccc(-c2nc3cnccc3o2)cc1NC(N)=S 22124257 BFFHNJGJGYYPSY-UHFFFAOYSA-N 300.343 2.554 0 40 DFAB NC(=O)[C@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 113543591 JESCETIFNOFKEU-DLBZAZTESA-N 314.360 2.683 0 40 DFAB C[C@@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)[C@H](C)C1 72294051 KHPQBXVGDQXQTJ-ZIAGYGMSSA-N 313.405 2.597 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)NCC[C@H](C)c1ccccc1 58331906 ABNMQPASWZUIMP-KBPBESRZSA-N 314.385 2.708 0 40 DFAB COc1cc(CN2CC[C@@H](NCc3ccco3)C2)cc(OC)c1 83920097 JXUFWFJEJVMFNB-OAHLLOKOSA-N 316.401 2.661 0 40 DFAB CN(C)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 28643489 VKBGSKQTQBXGEU-UHFFFAOYSA-N 309.369 2.704 0 40 DFAB OC1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 48345836 FMQONBFKVUMTDX-UHFFFAOYSA-N 318.377 2.558 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 36839284 CSDJXGVAPZLFQH-SWLSCSKDSA-N 314.385 2.649 0 40 DFAB Cc1cc(CSc2nnc(Cc3ccccc3)n2C)on1 36879951 ANFLZPXJPQYQJE-UHFFFAOYSA-N 300.387 2.995 0 40 DFAB COC(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)cc1 27333874 DXKUAFNMRJWUSX-WFASDCNBSA-N 304.390 2.851 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1 13224549 DBTHIPVYFBFWKX-AWEZNQCLSA-N 305.280 2.911 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)COCCC(C)C)c1 71866058 AXDMOYHRLYYATE-INIZCTEOSA-N 307.438 2.635 0 40 DFAB CC(C)c1csc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 63452071 SZYONYFQYVZLLH-UHFFFAOYSA-N 324.427 2.922 0 40 DFAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@H]1c1ccc(Br)cc1 71849997 FZYWBVQSSVLLTJ-QWHCGFSZSA-N 320.190 2.592 0 40 DFAB CC(C)(C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 64873041 VHLNFQGQWLYDEK-CQSZACIVSA-N 302.374 2.716 0 40 DFAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 71849998 FZYWBVQSSVLLTJ-CHWSQXEVSA-N 320.190 2.592 0 40 DFAB COc1cc(C(=O)N2CCC([C@@H](C)O)CC2)ccc1OC(C)C 72288826 DTHOQHUDMRMDSF-CYBMUJFWSA-N 321.417 2.715 0 40 DFAB COc1ncccc1CNc1nc2ccccc2c2nc(C)nn12 65530848 HCBVXVNDTSRQJB-UHFFFAOYSA-N 320.356 2.602 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 14158819 BFPAHHMQEAOQBQ-UHFFFAOYSA-N 319.777 2.844 0 40 DFAB CCC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 65622716 MYFBXNJVYDQMAJ-GFCCVEGCSA-N 324.371 2.685 0 40 DFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCCC1 14865391 PTBOWXZZDWIWHI-UHFFFAOYSA-N 310.344 2.942 0 40 DFAB O=C(Nc1ccc(Sc2nncs2)cc1)c1cnc[nH]1 66635280 RTJPKXPXNIIMPB-UHFFFAOYSA-N 303.372 2.665 0 40 DFAB CCn1cnnc1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 83843647 OUFPREPZUHFTSV-HNNXBMFYSA-N 324.428 2.736 0 40 DFAB CC(C)C[C@@H]1COCCN1C(=O)Nc1ccccc1[S@](C)=O 80134067 ANVXKXVTTZBZES-MCMMXHMISA-N 324.446 2.703 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 80471759 USVSUEOJGWGVLV-QWHCGFSZSA-N 323.412 2.631 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2ccccc2SC)CC1 9365573 VFLPUABOAMOJEH-UHFFFAOYSA-N 322.430 2.759 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)c1nnc(-c2cccs2)o1 8073987 HSIFEZRLEASNLI-ZETCQYMHSA-N 320.403 2.973 0 40 DFAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)c1 8247406 QGGUFNXHTVVPLM-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB Cc1nnc2sc(Cc3cccc4ccccc34)nn2c1=O 8394033 HYBLNHYNQTVRFZ-UHFFFAOYSA-N 308.366 2.598 0 40 DFAB Oc1nncc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1Cl 78673893 UBYUHMZQJJKILD-OCCSQVGLSA-N 319.792 2.928 0 40 DFAB Cc1nsc(N2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)n1 96455864 IAJRXAJWTBVATL-BETUJISGSA-N 324.494 2.562 0 40 DFAB Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(O)nn1 97107781 BCUVQZVXOZIARH-UHFFFAOYSA-N 312.354 2.866 0 40 DFAB Cc1noc(C)c1Cc1nc([C@H](C)NC(=O)OC(C)(C)C)no1 84025472 CDGYAQRBVXRQRW-VIFPVBQESA-N 322.365 2.851 0 40 DFAB CC[C@H]1c2ccccc2CCN1S(=O)(=O)CCCCOC 97163787 DHEVHZLHTWCRFM-INIZCTEOSA-N 311.447 2.752 0 40 DFAB COC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 97141986 CPUFKCJIXOMELN-JSGCOSHPSA-N 307.365 2.873 0 40 DFAB COCCn1nc(C)c(CNc2nc3ccccc3o2)c1C 97160093 WRNNFNJFKMPWCN-UHFFFAOYSA-N 300.362 2.900 0 40 DFAB C[C@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1ccsc1 78963920 FULGXMBOMHWKCW-HNNXBMFYSA-N 318.354 2.634 0 40 DFAB Cc1nscc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 97378867 VNBVUSLZNJXJSS-BLLLJJGKSA-N 315.442 2.702 0 40 DFAB CCCc1nc(CN2CCNC(=O)[C@@H]2c2cccs2)cs1 72799710 UONDXXRBPPXBSO-AWEZNQCLSA-N 321.471 2.830 0 40 DFAB C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccsc1 95420901 NAELKNJHMIUNSG-ZFWWWQNUSA-N 312.504 2.607 0 40 DFAB c1cnc(-c2noc([C@@H]3CCCCN3Cc3ccncc3)n2)nc1 95401522 ZTXKZYYVNHSNKY-AWEZNQCLSA-N 322.372 2.649 0 40 DFAB CSC[C@](C)(O)CNc1ncc(Br)cc1C 95412074 PJOKBNMHMWLDKQ-LLVKDONJSA-N 305.241 2.678 0 40 DFAB C[C@@H]1CCCN(c2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C 95972400 MTCFMNAHJXTOAL-CHWSQXEVSA-N 306.410 2.606 0 40 DFAB O=C1[C@H](Nc2ncc(Cl)cn2)CCN1c1c(F)cccc1F 88765828 VGDXNMBTYMNOCA-LLVKDONJSA-N 324.718 2.626 0 40 DFAB CS[C@H](CO)[C@H](C)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 88727801 JZAATOWTSSYBOY-NXNVCVFFSA-N 308.491 2.524 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(N)n2C(C)C)c1 75147441 VVUYREBMSSCYSY-LLVKDONJSA-N 319.434 2.869 0 40 DFAB NC(=O)NC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 89813930 MOKAQSQAFPVGGP-NSHDSACASA-N 315.339 2.586 0 40 DFAB O=C(OCCOc1cncc(Br)c1)c1ccoc1 89885135 ATTUIBKTLJKUJV-UHFFFAOYSA-N 312.119 2.673 0 40 DFAB Cc1nc(CCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cs1 27988696 AYOAJNYPSABFSA-SNVBAGLBSA-N 308.378 2.717 0 40 DFAB COc1ccc(NC(=O)[C@@H](CCSC)n2cccc2)cn1 524733099 UFVRHLGPVRXOOX-CYBMUJFWSA-N 305.403 2.825 0 40 DFAB O=C(Nc1ccncc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32726875 NFXRJVIGOQJNLU-OAHLLOKOSA-N 321.380 2.562 0 40 DFAB CN(C)C[C@H]1CCN(C(=O)NCCCc2ccc(Cl)cc2)C1 129807617 WPXXTZQBSLPHLP-OAHLLOKOSA-N 323.868 2.866 0 40 DFAB Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl 72203090 FMGIPGSLOQWDPA-JTQLQIEISA-N 312.801 2.860 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1nc2ccccc2s1 70638249 SNAUFCGHTGCZKN-UHFFFAOYSA-N 323.377 2.835 0 40 DFAB Cc1nc(-c2c(O)c(Br)c(C)oc2=O)cs1 218309766 MLCNXLQIXHCJCA-UHFFFAOYSA-N 302.149 2.848 0 40 DFAB COc1cccc(N2CCC[C@H](NC(=O)C3CC=CC3)C2)c1 77996870 CNIJLCDTHOTWQQ-HNNXBMFYSA-N 300.402 2.746 0 40 DFAB CS(=O)(=O)c1ccc2nc(NCc3ccco3)sc2c1 62716570 LTUUEDPVXRVDLC-UHFFFAOYSA-N 308.384 2.905 0 40 DFAB CSc1ncccc1C(=O)NCC[C@@H](O)c1cccs1 77113632 XIMUHNYTCXOOKI-LLVKDONJSA-N 308.428 2.719 0 40 DFAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1ccncc1 79492965 VWECAFOGZQNZMB-LBPRGKRZSA-N 304.375 2.989 0 40 DFAB Fc1ccc(N2CCN(c3ncnc4c3CCCC4)CC2)cc1 129089045 WFRFULIXYHXEKS-UHFFFAOYSA-N 312.392 2.821 0 40 DFAB CC(C)[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)O 40310152 ALNNPXQRJCSIOQ-HNNXBMFYSA-N 322.792 2.910 0 40 DFAB biogenic COc1ccc(O[C@@H](Cc2cccc(OC)c2)C(=O)O)cc1 225099986 RQROXIZQXLYOLZ-INIZCTEOSA-N 302.326 2.779 0 40 DFAB CC(C)CC[C@H]1CCCCN1C(=O)C(=O)Nc1cccnc1 134415556 PAERHVDIJBSIJS-OAHLLOKOSA-N 303.406 2.837 0 40 DFAB CCc1noc(CN2C[C@@H](C)CN(C(C)=O)c3ccccc32)n1 81577553 VICGOKNGRKJHKJ-GFCCVEGCSA-N 314.389 2.641 0 40 DFAB COc1cccc(-c2noc(CCC(=O)NCC(C)(C)C)n2)c1 225825510 CFOBBOPIZZFKEI-UHFFFAOYSA-N 317.389 2.840 0 40 DFAB C/C=C(/C)C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 89968262 YBSPCSZAENUYBX-VQEQIULKSA-N 305.374 2.950 0 40 DFAB C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1COc2ccccc21 195549059 ZDPPWDPMVITCGE-OBJOEFQTSA-N 314.351 2.777 0 40 DFAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cnn(C)c1 96403521 QUPHKXUWZSAGGX-VIFPVBQESA-N 313.279 2.845 0 40 DFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(C)(C)C2)cc1 96500502 OEBZHNVSMGASCX-UHFFFAOYSA-N 323.458 2.670 0 40 DFAB CCc1cnc(CN2C[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)o1 578540492 CRQANFSEBNJQFZ-HUUCEWRRSA-N 300.358 2.537 0 40 DFAB CC(=O)NCc1nn(C(C)C)c2c1CN(Cc1ccsc1)C2 96259151 GWZHOLCNBTVQDW-UHFFFAOYSA-N 318.446 2.677 0 40 DFAB CN1CCCN(CCCN[C@@H]2CC[C@H](c3ccccc3)C2)CC1 97103143 STQRGHGRXRYHLJ-VQTJNVASSA-N 315.505 2.940 0 40 DFAB COC[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 96060273 LBLRKDNVYDPLBH-OAHLLOKOSA-N 315.417 2.940 0 40 DFAB COc1ccc(C(C)(C)CN[C@@H]2CCN(C(C)C)C2=O)cc1 96447853 LVJNNXSMEADDBO-MRXNPFEDSA-N 304.434 2.572 0 40 DFAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1CCC(C)(C)C(=O)O 1594671549 RDGSOWIYENWWGO-GFCCVEGCSA-N 320.437 2.813 0 40 DFAB CCN(CC)C(=O)C[S@](=O)[C@@H](C)c1ccc(F)c(F)c1 96448133 VMKDXVSEBGIFDR-WVDJIFEKSA-N 303.374 2.643 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCCCCC3)C2)cc1 96192827 JUNIZEVGYPXJIK-GOSISDBHSA-N 316.401 2.981 0 40 DFAB CC1CN(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C1 583672386 RUOZNFVYCGABCE-UHFFFAOYSA-N 316.430 3.348 0 40 DFAB Cn1c(C(=O)N2C[C@@H]3CCCCN[C@@H]3C2)cc2cc(F)ccc21 257201734 AIVWYKCACQQBEE-SWLSCSKDSA-N 315.392 2.532 0 40 DFAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC[C@H](O)CC1 257276926 NVRYIEYVZSPTSB-SFHVURJKSA-N 310.397 2.659 0 40 DFAB C[C@@H](CC(=O)O)CC(=O)N1CCC(Oc2ccc(F)cc2)CC1 578206121 ICMLZCCSKHTJEB-GFCCVEGCSA-N 323.364 2.696 0 40 DFAB CC(=O)N1CCC[C@H](Cc2ccc(-c3cnc(C)n3C)nc2)C1 585260985 CEIXFMTVFQDVOQ-MRXNPFEDSA-N 312.417 2.592 0 40 DFAB CC(C)[C@@H](NCC(=O)Nc1nncs1)c1ccc(F)cc1 53143926 WBQAJTDQWXKYJO-CYBMUJFWSA-N 308.382 2.603 0 40 DFAB O[C@H](CN1CCC(CNC2CCCC2)CC1)c1ccccc1 69486005 HLCKUPPGWFAZQI-LJQANCHMSA-N 302.462 2.964 0 40 DFAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1Cn1cncn1 69877591 SVDVFEMOONQRPU-UKRRQHHQSA-N 324.388 2.554 0 40 DFAB Cc1nscc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 97102371 BPPUCLPZHGLHED-UHFFFAOYSA-N 305.334 2.728 0 40 DFAB O[C@@](CNc1ncc(Cl)cn1)(c1ccccc1)C(F)(F)F 175044235 CFZOMSJZMAONIX-LBPRGKRZSA-N 317.698 2.992 0 40 DFAB CCCCn1nc2nc(N3CCNCC3)cc(C(F)F)c2c1C 12398897 OWNXONONLQYWDF-UHFFFAOYSA-N 323.391 2.887 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 13134536 DASWPRHZFIZMDP-MQIPJXDCSA-N 308.447 2.549 0 40 DFAB O=S(=O)(NCc1ccccc1Cl)N1CCCCCC1 14731065 OULUTWZUWPOVSR-UHFFFAOYSA-N 302.827 2.550 0 40 DFAB C[C@H](C(=O)N[C@@H](c1ccncc1)c1cccs1)n1ccnc1 19079776 LUUILBGADXEILX-DOMZBBRYSA-N 312.398 2.806 0 40 DFAB C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986731 AHBGVVDLUMLZGI-DHYHMZROSA-N 305.418 2.674 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc(C)n(C(C)C)c2C)c(=O)[nH]1 7118302 JBLJVGKIXMWHJJ-UHFFFAOYSA-N 315.417 2.921 0 40 DFAB O=C(CCc1ccccc1)NCCOc1ccc2c(c1)OCO2 22480754 AVTIKTFTOBUICP-UHFFFAOYSA-N 313.353 2.543 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 28195350 XRHJXEHJSJTSRX-CZUORRHYSA-N 318.417 2.827 0 40 DFAB CCC(=O)N[C@H](NC(=N)c1ccccc1)C(Cl)(Cl)Cl 3109668 LUOIETADBLWVMP-LLVKDONJSA-N 322.623 2.824 0 40 DFAB CC(C)CN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 5258886 CONOUTMHLGWAMR-MRXNPFEDSA-N 314.385 2.867 0 40 DFAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 15276385 XAQLXKLZGXHFCF-HOTGVXAUSA-N 308.381 2.970 0 40 DFAB COc1cccc([C@@H](O)CN2CCN(c3ccccc3)CC2)c1 19785107 ZYRYAVJSXVSLFT-IBGZPJMESA-N 312.413 2.551 0 40 DFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccccc3)C2=O)cc1F 101260375 UPYZECDLKVFZSH-CABCVRRESA-N 324.315 2.632 0 40 DFAB Cc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)n(C)n1 218827044 CFFYVXXBPBEJJE-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB O=C(NC[C@@]1(O)C=CCCC1)c1ccccc1Br 606440325 CXAQCXCNKJQGEP-CQSZACIVSA-N 310.191 2.650 0 40 DFAB CC(C)(C)OC(=O)N1CC(c2nnc3ccc(Cl)cn23)C1 2298078354 HPVGNTHHSXIXBU-UHFFFAOYSA-N 308.769 2.717 0 40 DFAB CCOC(=O)NCCC(=O)N[C@@H](C)c1ccc(Cl)s1 31376341 RUQXGNRKDQPOQF-QMMMGPOBSA-N 304.799 2.715 0 40 DFAB C[C@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 40052235 ZKWLYBVDKJXZOY-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB CC(C)c1ccc(C(=O)NN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101709346 NVQVSCUMNRLGGC-HUUCEWRRSA-N 314.385 2.630 0 40 DFAB CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1c(F)cccc1Cl 376016 FEAMIVVUFFGQMB-KOLCDFICSA-N 303.742 2.526 0 40 DFAB CN(C(=O)CCNC(=O)c1ccccc1)[C@H]1CCc2ccccc21 32905631 CPFPWKXYMIGPOZ-SFHVURJKSA-N 322.408 2.952 0 40 DFAB COc1cccc(C(=O)NCCCCN2CCC[C@@H](C)C2)c1 46991043 BHISELLTJOTNOK-OAHLLOKOSA-N 304.434 2.937 0 40 DFAB COc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 95466985 USBQUMFNFIOJEG-GJZGRUSLSA-N 306.406 2.956 0 40 DFAB C[C@H](O)c1nc2ccccc2n1Cc1noc(-c2ccoc2)n1 97082426 CIBGYCSAVLIGTB-JTQLQIEISA-N 310.313 2.781 0 40 DFAB COc1cccc(C[C@@H](C)NC(=O)NCCc2cccnc2)c1 75611058 BXKLTEGCADYVIZ-CQSZACIVSA-N 313.401 2.563 0 40 DFAB O=C1CC[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)N1 97046229 AWXPPNZMEJZEOK-MRXNPFEDSA-N 322.364 2.506 0 40 DFAB O=C(O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 8730841 SYQBVUDNUWNBOD-UHFFFAOYSA-N 301.252 2.911 0 40 DFAB Cc1noc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1 53448298 VDJXEBYMNWXJMG-UHFFFAOYSA-N 317.414 2.948 0 40 DFAB O=C(CSc1ccc(F)cc1)NC1CCC(C(=O)O)CC1 37561368 YSKRRFWIDYKLDL-UHFFFAOYSA-N 311.378 2.677 0 40 DFAB CCOc1ccc(NC(=O)C(=O)Nc2ccccc2OC)cc1 9912424 UXTZPQJSKKGSTG-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB COC(=O)c1sccc1NC(=O)c1c(OC)cccc1OC 998342 PGTKHEIVURDTHY-UHFFFAOYSA-N 321.354 2.804 0 40 DFAB Cc1nc(CNC(=O)N[C@@H]2CCOc3ccccc32)cs1 43164617 OBBLXIPUXUGZKJ-CYBMUJFWSA-N 303.387 2.775 0 40 DFAB Cc1cc(F)c2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(C(C)C)C1 55430916 XKKXPMPTXBJYHQ-CQSZACIVSA-N 318.392 2.670 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1O 3292034 NZZPKZRMZZJIDA-FZMZJTMJSA-N 305.374 2.552 0 40 DFAB CC[S@@](=O)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 95431229 JHYJZTSEWRGSDN-XLFHBGCDSA-N 318.236 2.853 0 40 DFAB CCOCC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 72290281 GTRFJNQETCNMFO-INIZCTEOSA-N 311.809 2.649 0 40 DFAB COc1ccc([C@H](C)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 108461692 KELHDDJEHLWLSG-UWWQBHOKSA-N 316.445 2.789 0 40 DFAB CCCCNC(=O)COC(=O)c1cc2ccccc2cc1OC 3250774 JNKYIXKXFCADMU-UHFFFAOYSA-N 315.369 2.922 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H](O)c2ccccc2F)cc1F 27350842 LQSXQOXITUHKJI-INIZCTEOSA-N 320.339 2.806 0 40 DFAB C[C@@H](NC(=O)c1ccccc1SCC(N)=O)c1cccs1 44874543 UQEUXPJHRUMXTK-SNVBAGLBSA-N 320.439 2.817 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccnc(C)n2)cc1 58297616 XJGJXXLGAIXAII-JZJYNLBNSA-N 324.409 2.746 0 40 DFAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)C1CCC1 58291966 MTVVNKZUAUASNN-UHFFFAOYSA-N 306.369 2.837 0 40 DFAB CCCCCN[C@H](CC(=O)Nc1ccc(C)cc1C)C(=O)O 2107489 WMYLTIPRNUBBPI-OAHLLOKOSA-N 306.406 2.865 0 40 DFAB COc1ccc(NC(=O)Cc2sc(C)nc2C)cc1OC 36354939 ZIAWQIIPNOQRFA-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB CCc1n[nH]c(SCC(=O)N(CC)Cc2cccc(F)c2)n1 28473644 HYCMGUSFKHQIDZ-UHFFFAOYSA-N 322.409 2.647 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 12793630 OKOGFKJRKBYPCT-UGSOOPFHSA-N 314.385 2.678 0 40 DFAB CCONC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 45871478 SUQHTWPIIPKNNC-UHFFFAOYSA-N 314.370 2.677 0 40 DFAB Cc1nn(C)c(Cl)c1CNC[C@H](c1ccsc1)N(C)C 48441441 KDBDFRAZJIGVNQ-CYBMUJFWSA-N 312.870 2.836 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1cccc(O)c1 3511779 GAYKWQWGBXEPJT-UHFFFAOYSA-N 317.366 2.910 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@@H](c3ccccc3)C(C)C)nn12 12925070 WLYVGBRPDVXLOW-CQSZACIVSA-N 309.373 2.560 0 40 DFAB COc1cc(NC(=O)c2cccs2)c(C(=O)O)cc1OC 3628200 WKPFHYKDLARNCJ-UHFFFAOYSA-N 307.327 2.716 0 40 DFAB Cc1ccc(C)c(NC(=O)c2ccccc2S(C)(=O)=O)c1 5223018 VHUYSUGPXFTZMR-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1cc[n+]([O-])cc1 65474944 WSCSTAWVVHUZKR-UHFFFAOYSA-N 306.325 2.711 0 40 DFAB CC(C)(C)c1cccc(OCCn2nc3n(c2=O)CCCC3)c1 84284572 LBPRVOZAFXCEHT-UHFFFAOYSA-N 315.417 2.758 0 40 DFAB Cc1nccn1Cc1ccc(NC(=O)c2ncccc2O)cc1 97165485 LENYULCNRBTBDI-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccccc2OC)n1 4864612 NMONGSJRISPSTD-UHFFFAOYSA-N 318.398 2.706 0 40 DFAB CC(C)c1nnc2n1C[C@@H](Nc1ncnc3ccsc13)CC2 97199307 CPJHQBKDDAVFLW-JTQLQIEISA-N 314.418 2.833 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 6963596 KACOSSDCIYHFRA-UHFFFAOYSA-N 305.399 2.872 0 40 DFAB COC[C@](C)(NS(=O)(=O)c1cccs1)c1ccccc1 80281548 AIXVJFARNVLPAB-AWEZNQCLSA-N 311.428 2.588 0 40 DFAB CS(=O)(=O)CCSCc1sccc1Br 67995931 BQCAKQTWCFKCAE-UHFFFAOYSA-N 315.279 2.788 0 40 DFAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 7613687 DLGSYZUDXVMOMX-UHFFFAOYSA-N 318.398 2.937 0 40 DFAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCn2cncn2)o1 96433242 KHCATVCFJQRCAJ-HIFRSBDPSA-N 316.405 2.823 0 40 DFAB CC(C)OCCS(=O)(=O)Nc1cc(F)c(F)cc1Cl 84621912 GTBNYFWKCLBZFA-UHFFFAOYSA-N 313.753 2.785 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccccn1 70012665 ALGDMVJMJNWRCE-UHFFFAOYSA-N 318.465 2.735 0 40 DFAB Cn1cnnc1C1CCN(C(=O)c2sccc2C2CC2)CC1 69348591 FODIYGVMCRVRSH-UHFFFAOYSA-N 316.430 2.774 0 40 DFAB CC1(C)CN(C(=O)c2cc(-c3ccccc3F)on2)CCO1 71843089 QKLRHWVJUFKSDT-UHFFFAOYSA-N 304.321 2.732 0 40 DFAB CC(C)c1csc(CNC(=O)N[C@@H]2CC[C@H](N(C)C)C2)n1 91706153 AHRHFBRXRQDKKY-NEPJUHHUSA-N 310.467 2.548 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1C(=O)NCC(F)(F)F 69676664 SBZBCUNJPKDPSL-LBPRGKRZSA-N 316.323 2.974 0 40 DFAB Cc1cc(C)n2cc(CN3CCCC[C@H]3Cn3cccn3)nc2n1 69709316 FPBWYLUBVKEAAL-KRWDZBQOSA-N 324.432 2.597 0 40 DFAB CC(=O)NCCCCCC(=O)N(C)[C@@H]1CCc2ccccc2C1 71907547 RNYSLFWNKZLLDQ-GOSISDBHSA-N 316.445 2.699 0 40 DFAB O=C(CCn1cncn1)N1Cc2ccccc2-c2ccccc2C1 72078389 DVUFZSBUBMGSRV-UHFFFAOYSA-N 318.380 2.878 0 40 DFAB O=C(NCC(C1CC1)C1CC1)N1CC[C@@H](Oc2cccnc2)C1 95417231 KJTYQYVECQJDQN-MRXNPFEDSA-N 315.417 2.681 0 40 DFAB COC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2s1 78561880 WIVITVRFJJNHRK-UHFFFAOYSA-N 313.766 2.634 0 40 DFAB COC(=O)c1cc(CNc2cccc(C)c2C(N)=O)c(C)s1 79094735 ISNOEHCSBHBZDS-UHFFFAOYSA-N 318.398 2.863 0 40 DFAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@H](C)C(F)(F)F 95939908 OLPMMOMCJRTDGT-SECBINFHSA-N 313.316 2.928 0 40 DFAB O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc[nH]n2)c1 95977608 SQZBWGRSPZFVPC-UHFFFAOYSA-N 320.352 2.592 0 40 DFAB C[C@]1(CNC(=O)N2CCC[C@H](CO)C2)CCCc2ccccc21 95985319 YOMUPYJLABCGHD-HNAYVOBHSA-N 316.445 2.695 0 40 DFAB CC(C)OCCS(=O)(=O)N(C)Cc1ccc(F)cc1Cl 75093606 HSTHSTXICMIEPG-UHFFFAOYSA-N 323.817 2.666 0 40 DFAB Cn1cc(CCCN(CCCO)[C@@H]2CCc3ccccc32)cn1 75138779 AWVDSKJPKUJFFK-LJQANCHMSA-N 313.445 2.725 0 40 DFAB O=C(NCc1ccsc1)N[C@H]1CCO[C@@]2(CCSC2)C1 89885457 SKGORLJIRTZUEN-JSGCOSHPSA-N 312.460 2.602 0 40 DFAB CC(C)n1nccc1NC(=O)c1c[nH]c2ccc(F)cc2c1=O 79480846 BXHOSEAEUKLQRB-UHFFFAOYSA-N 314.320 2.697 0 40 DFAB Oc1ccccc1OCc1nnc(S)n1Cc1ccccc1 26505622 LNXFSHRVFJZZFD-UHFFFAOYSA-N 313.382 2.900 0 40 DFAB CCc1ccc2[nH]c3nc(S[C@@H](C)C(=O)O)nnc3c2c1 35291028 RFHXMPNYGRWNLV-ZETCQYMHSA-N 302.359 2.634 0 40 DFAB CN1Cc2ccccc2[C@H](NC(=O)c2ccnn2C2CCCC2)C1 536031996 HCHJHZCLPYBAGV-QGZVFWFLSA-N 324.428 2.915 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)[C@H]1c1ccc(F)cc1 72242166 RFEYSSDRXNMJEP-NVXWUHKLSA-N 312.344 2.984 0 40 DFAB CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O 36635333 OCIKVITYXLFHPA-OAHLLOKOSA-N 310.353 2.829 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2nc(C)no2)cc1 74951204 SWOINWZDMDFQGK-ZBFHGGJFSA-N 316.357 2.898 0 40 DFAB O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1CSCCS1 180617219 DQBFSJQOCVZSAK-QMMMGPOBSA-N 308.350 2.888 0 40 DFAB CCCC[C@H](COC)NC(=O)C(=O)Nc1ccccc1Cl 77783279 AVFNZJMVWGSNHL-LLVKDONJSA-N 312.797 2.600 0 40 DFAB CC(C)c1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCO2)on1 35511489 DPSOZNIJVHOEAB-JSGCOSHPSA-N 307.394 2.824 0 40 DFAB CC1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 72238162 MUIGNMCAWIVTDX-CZUORRHYSA-N 320.458 2.916 0 40 DFAB COc1ccc(CNC(=O)NCC2(c3ccccc3)CC2)cn1 32795248 TXOUNJPJGFADND-UHFFFAOYSA-N 311.385 2.621 0 40 DFAB COCCn1cnc2c(sc3nc4c(cc32)CCCC4)c1=O 71280152 RSXUPYZZSZXSHV-UHFFFAOYSA-N 315.398 2.531 0 40 DFAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 33603067 VFCCNJCFFPULCZ-YLFCFFPRSA-N 322.788 2.558 0 40 DFAB CNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 41262343 ZEWVNPQADPOCCC-UHFFFAOYSA-N 302.418 2.582 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(CC(F)(F)F)CC1 450933587 JNOIYUTVKAUEEX-UHFFFAOYSA-N 308.735 2.593 0 40 DFAB Cn1c(O)nc2cc(C(=O)NCc3cccc4cc[nH]c34)ccc21 526056171 OCGSSCHCLKJGKD-UHFFFAOYSA-N 320.352 2.690 0 40 DFAB O=C(O)Cc1cccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)c1 571625676 RBGZTYXTDSFSCI-LBPRGKRZSA-N 316.279 2.776 0 40 DFAB O=C(O)c1ccc(F)c2c1CN(CC[C@@H]1CCCCO1)CC2 530171059 VRTKAFRJZKSWMJ-LBPRGKRZSA-N 307.365 2.841 0 40 DFAB COc1ccccc1CCCNC(=O)COc1ccccc1F 222775830 YRLXAMMOTKIPDN-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCc2sc(-n3cccc3)nc21 223810844 BECHDMCIYKOTPF-LBPRGKRZSA-N 313.382 2.873 0 40 DFAB Cc1cc(C(=O)NCc2cccnc2-c2ccsc2)n(C)n1 225647814 JQPUCLFHBFGSDR-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CCCn1nccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 227169396 GAECOQHVIARGPZ-UHFFFAOYSA-N 312.373 2.820 0 40 DFAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)Cc1ccsc1 195551283 GNPYXWNMURPIBD-AWEZNQCLSA-N 303.383 2.931 0 40 DFAB COc1ccc(CC[S@@](=O)Cc2cn3ccccc3n2)cc1 195579401 GCYCWMWYDXXHAF-JOCHJYFZSA-N 314.410 2.834 0 40 DFAB CC(C)(CNc1nc2ccccc2s1)N1CCS(=O)CC1 96418727 XYJLWSDWAJNWPP-UHFFFAOYSA-N 323.487 2.551 0 40 DFAB C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccn1 95471345 BDBMVIUVNMIICB-LLVKDONJSA-N 309.325 2.585 0 40 DFAB CCC1=NO[C@H](Cn2cc(-c3nc4ccccc4n3CC)nn2)C1 91551326 TWDPFUZEQGYNST-ZDUSSCGKSA-N 324.388 2.870 0 40 DFAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccccc3)n2)ccc1OC 95534464 HCHPYJNGBFETJK-INIZCTEOSA-N 324.384 2.927 0 40 DFAB O=C(CN1CCC[C@@H]1c1cccc(F)c1)NCc1cccnc1 96405526 IXCQKNWKBMLBEN-QGZVFWFLSA-N 313.376 2.674 0 40 DFAB CN(Cc1nccn1C)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 95435945 SCRZNEUDFPJAOV-INIZCTEOSA-N 315.417 2.935 0 40 DFAB Cc1cccc(N2CCc3ncnc(NC4CCC4)c3CC2)n1 96255761 GSLOQHPSEFPMOW-UHFFFAOYSA-N 309.417 2.750 0 40 DFAB COC[C@H]1CCC2(CCN(Cc3nc(C)cs3)CC2)N1C 96206545 UYAJMTWSEDPTQX-CQSZACIVSA-N 309.479 2.527 0 40 DFAB C[C@@H](NC(=O)c1nccn2ccnc12)c1cc(F)c(F)c(F)c1 95404264 PZAABRSNBGIEEG-MRVPVSSYSA-N 320.274 2.638 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3nccs3)C[C@@H]12 248136033 OQCHDABNZFQHRS-SJLPKXTDSA-N 313.470 2.991 0 40 DFAB Cc1nn(C)c2nc([C@@]3(C)CCCN(c4cnccn4)C3)ccc12 257333976 YDYRVHLVRDXQQX-SFHVURJKSA-N 322.416 2.625 0 40 DFAB CNc1nccc([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 257273809 NIHIIEUMSRCBNL-INIZCTEOSA-N 310.401 2.815 0 40 DFAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCCCC1 256046385 FOAVIGQJUZUOHX-UHFFFAOYSA-N 306.753 2.609 0 40 DFAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)o1 585102854 KVIYAGHNDVJQQB-INIZCTEOSA-N 305.418 2.996 0 40 DFAB CCOc1ccccc1-c1cc(C(=O)N2CCSCC2)n[nH]1 49213793 CINGJZWOFNJBAP-UHFFFAOYSA-N 317.414 2.664 0 40 DFAB Cc1nc(/C=C/C(=O)N2CCCC[C@@H]2CCC(=O)O)cs1 50921929 WEUBBLBLBOOWSL-VUDGCMKMSA-N 308.403 2.711 0 40 DFAB CCc1nncn1CCNCc1ccc(Br)c(C)c1 72738995 PTHJHPLGNLROOZ-UHFFFAOYSA-N 323.238 2.701 0 40 DFAB CCOC(=O)[C@@H](O[P@@](C)(=O)OCC(C)C)C(F)(F)F 3157196 BREMCRZJQVWKEK-YLVJLNSGSA-N 306.217 2.993 0 40 DFAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)C1CCOCC1 1775968702 RXUQOCJXORNEOD-LBPRGKRZSA-N 321.398 2.584 0 40 DFAB Cc1ccc(Cn2cccc(NC(=O)c3cccnc3)c2=O)cc1 5000881 DZTXTHXCAMFMRP-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1 5845906 SUXLVXOMPKZBOV-CXAGYDPISA-N 309.413 2.564 0 40 DFAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCSCC1 12407477 AVJXNHKGZKZSMU-CYBMUJFWSA-N 310.806 2.996 0 40 DFAB Cc1nn2c(O)cc(Cn3cccn3)nc2c1-c1ccccc1 19582024 ASIYKHQEEAIDTE-UHFFFAOYSA-N 305.341 2.655 0 40 DFAB COc1ccc(C(=O)O[C@H](c2ccc(OC)cc2)[C@H](C)O)cc1 14504527 PCUOEOPTDCUNQQ-SJCJKPOMSA-N 316.353 2.983 0 40 DFAB endogenous,in-man Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1N 9468315 CIFDFWRLHJWFOQ-LLVKDONJSA-N 316.332 2.900 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 1889070755 AKQWPUATKAKMSZ-SNVBAGLBSA-N 315.339 2.841 0 40 DFAB O=C(NN1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1 14245812 NNRHWAZBWGUAMF-UHFFFAOYSA-N 316.332 2.595 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15515281 SFTSDZPBZFUJOT-UHFFFAOYSA-N 306.325 2.898 0 40 DFAB COC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cc(F)cc(F)c1 953033615 GJMPJAJZVUIPFH-OAHLLOKOSA-N 315.316 2.878 0 40 DFAB Cc1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 9659519 XAUVTSNGVJGDPT-UHFFFAOYSA-N 315.398 2.981 0 40 DFAB Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N1CC[C@@H](CF)C1 1849835392 YCOWEJWPZWNRLM-JTQLQIEISA-N 323.318 2.797 0 40 DFAB C[C@](O)(CNC(=O)NCc1ccc(F)cc1)Cc1ccsc1 675007777 OWORCFFFSFSFGS-MRXNPFEDSA-N 322.405 2.680 0 40 DFAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC[C@@H]1CCCO1 40067108 XSRDJAYFBUKDND-DOMZBBRYSA-N 310.825 2.628 0 40 DFAB Cc1noc2ncc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc12 30989773 RHVSPNCPNDRPCS-SNVBAGLBSA-N 313.279 2.946 0 40 DFAB CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1O 102709 CONGTUAXDPAEBR-UHFFFAOYSA-N 300.236 2.773 0 40 DFAB Cc1cc([C@H](C)NC(=O)CN2CCCCCC2=O)c(C)s1 40509386 KQXXOUNDGUMFPS-LBPRGKRZSA-N 308.447 2.945 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 44277 IKNPTELOSMRLIV-LBPRGKRZSA-N 308.337 2.618 0 40 DFAB CCOC(=O)c1cnc(SCCc2ccccc2)nc1N 420850 APNCRASUNSLSDH-UHFFFAOYSA-N 303.387 2.570 0 40 DFAB O=C(Cn1cnc2sccc2c1=O)c1ccc(F)cc1F 9112777 SVRFKZDIRGSDEV-UHFFFAOYSA-N 306.293 2.619 0 40 DFAB O=Cc1cn(-c2ccccc2)nc1C1=C[C@H]2C=CC=C[C@H]2OC1=O 804856 NDHJKZQRXWLWKI-CXAGYDPISA-N 318.332 2.736 0 40 DFAB CCN1CCC[C@@H]1CN[C@H](C)CC(=O)Nc1ccc(C)cc1 102438444 PHHSNFMWCLUIRW-NVXWUHKLSA-N 303.450 2.786 0 40 DFAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CC1 41267629 PUTORQWXWLCVRV-UHFFFAOYSA-N 306.321 2.836 0 40 DFAB COc1cc(CNC(=O)C(C)C)ccc1OC[C@H]1CCCO1 32931017 WBZXDCMWIZXVDS-CQSZACIVSA-N 307.390 2.525 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCCC2)c(C)n1C1CC1 60901926 QFMMURXULMCRSS-CYBMUJFWSA-N 304.390 2.608 0 40 DFAB Cc1cc(CN(C)C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1 103153089 JYLAIZYHGVUFRF-JDPPGYRCSA-N 318.417 2.663 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)CCCc2ccccn2)c1 70036566 ZADOTKLCHGOUCF-QGZVFWFLSA-N 312.417 2.600 0 40 DFAB COc1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104751156 PBRUFIHULMVMHI-XUXIUFHCSA-N 309.431 2.798 0 40 DFAB O=C(NCc1ccccc1Cn1cccn1)c1cc(Cl)c[nH]1 24625256 RBZNKTKHLJUKSJ-UHFFFAOYSA-N 314.776 2.843 0 40 DFAB Cc1nc(CNC(=O)Nc2ccc(N(C)C)nc2)sc1C 76069188 HHGMPHFEHCYBMM-UHFFFAOYSA-N 305.407 2.543 0 40 DFAB C[C@H]1CN([C@H](CNCc2cccn2C)c2cccs2)CCO1 106915068 QGDRBEQAGFTCGL-GOEBONIOSA-N 319.474 2.638 0 40 DFAB CC(=O)Nc1sc(-n2[nH]c(C)cc2=O)nc1-c1ccccc1 35681838 MUWHJIAKGQEEQY-UHFFFAOYSA-N 314.370 2.556 0 40 DFAB COC(=O)c1cc(CNC(=O)N[C@H](C)c2cccs2)oc1C 47978123 IIWCOEYDPKFBOX-SECBINFHSA-N 322.386 2.997 0 40 DFAB C[C@@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)[C@H]1CCCO1 58268346 HGBJVOMHFISYCP-MLGOLLRUSA-N 313.401 2.597 0 40 DFAB O=C(NCCc1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 58227099 VQPNDZKZCFNXDI-IBGZPJMESA-N 323.440 2.653 0 40 DFAB C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1cccs1 58289925 WETBWCYODAHIMM-GFCCVEGCSA-N 318.398 2.852 0 40 DFAB O=C(c1ccoc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 97048285 JBQTXTMWUNIRFZ-UHFFFAOYSA-N 313.279 2.972 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 44970329 ZIPMGHPRIIXYCH-GFCCVEGCSA-N 316.357 2.781 0 40 DFAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC1 44971343 CYJGNNIWKDWZSU-INIZCTEOSA-N 310.401 2.724 0 40 DFAB C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 58313369 XVWMLFLENRBNQU-ZWNOBZJWSA-N 307.369 2.890 0 40 DFAB O=C(CCc1cccc(Cl)c1)Nc1ccnc2ccnn12 72273362 MINZPQSMLSPMCJ-UHFFFAOYSA-N 300.749 2.954 0 40 DFAB CN(CC(=O)N1CCc2ccccc2C1)C1Cc2ccccc2C1 69420354 PGRWZBFXSXHLQR-UHFFFAOYSA-N 320.436 2.671 0 40 DFAB COc1ccc(CNC(=O)c2sc(C)nc2C)cc1OC 48344922 VKUGUPWCJSNFPF-UHFFFAOYSA-N 306.387 2.707 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 3439679 KWKFLGNEMOWOGT-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB c1ccc2oc(CN3CCN(c4nccs4)CC3)nc2c1 69453525 YNRPSQNQYOXXBD-UHFFFAOYSA-N 300.387 2.607 0 40 DFAB O=C(NCc1ccncc1)c1cc(F)ccc1Br 17168511 HBLLHQBOCSCFQC-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB CCCN(CCC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 12983720 SNVHKLBUJNZPQO-KBPBESRZSA-N 309.454 2.813 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2ccccc2Cl)c(=O)[nH]1 12923284 GPBANXSIKILMLD-UHFFFAOYSA-N 305.765 2.611 0 40 DFAB C[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2nc[nH]n2)n1 69568378 FVDCSOWRXNVOLZ-JTQLQIEISA-N 313.386 2.761 0 40 DFAB CCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(F)cc1 63439320 DTHBCTNOIKROND-UHFFFAOYSA-N 307.365 2.560 0 40 DFAB Cc1cccc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)n1 4002627 OIBOGUPHDVFCOK-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB COc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1 4041237 DMAQNDSWOZHGCU-UHFFFAOYSA-N 301.298 2.506 0 40 DFAB COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccoc2)c1 69699096 DGGKWJNZPVVNEY-UHFFFAOYSA-N 322.748 2.562 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385126 WXOSXPQEIMLHLC-LLVKDONJSA-N 318.760 2.602 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc13)CCC2 5347092 GFEHAPJBJGCBJZ-AWEZNQCLSA-N 323.440 2.938 0 40 DFAB CC(C)[C@@H](CNC(=O)c1cccs1)NC(=O)c1cccs1 69897860 GCXXLUSNZKAWQH-LLVKDONJSA-N 322.455 2.994 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCC(C)(C)c1ccccc1F 69872381 ICBGBBIJULSHMR-ZDUSSCGKSA-N 318.396 2.688 0 40 DFAB CCO[C@@H](CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 65604530 KLXWVJOKVRASJS-HNNXBMFYSA-N 320.364 2.955 0 40 DFAB Cc1ccc2c(C)nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc2c1 18324649 FVLNTXOYQXQZHP-UHFFFAOYSA-N 321.384 2.952 0 40 DFAB CC[C@](C)(O)CNC(=O)Nc1cccc(OCC(F)(F)F)c1 66159268 FTWKEHMOQSKAJW-ZDUSSCGKSA-N 320.311 2.910 0 40 DFAB CCSc1nnc(NC(=O)c2cccc(N(C)C)c2)s1 4895463 IGIPFEYYUNZSRZ-UHFFFAOYSA-N 308.432 2.968 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccc(N2CCOCC2)cc1 6831501 AZFBGSREINXQEZ-UHFFFAOYSA-N 314.360 2.844 0 40 DFAB C[C@@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)n1cncn1 67090868 RTOBQUYDBRUKCS-ZETCQYMHSA-N 302.231 2.636 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 5935052 FCABDGBPCKTAPJ-GFCCVEGCSA-N 318.398 2.712 0 40 DFAB O=C(NCCCn1ccnc1)c1ccc(OC(F)(F)F)cc1 5902005 CWBNKVHAZSTOBJ-UHFFFAOYSA-N 313.279 2.602 0 40 DFAB CCOc1ncccc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C 67527518 SPQKVMJKMUSTQT-JTQLQIEISA-N 317.393 2.713 0 40 DFAB O=C(Nc1n[nH]c(-c2cccs2)n1)[C@H]1C[C@@H]1c1ccco1 67573981 YVAFDYITNZOOKT-IUCAKERBSA-N 300.343 2.868 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc(Cl)cc(Cl)c1 9112604 QPSPUAKLICGSHO-UHFFFAOYSA-N 317.216 2.980 0 40 DFAB CCCn1c(NC(=O)CN2CCSC2=O)nc2ccccc21 9113705 YZBANZAWLBJFDL-UHFFFAOYSA-N 318.402 2.554 0 40 DFAB CC(C)(CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 72284712 BCHSVHHHTWPBLL-UHFFFAOYSA-N 315.398 2.625 0 40 DFAB Nn1c(SCCc2ccccc2)nc2cc(F)ccc2c1=O 71768805 UTSGNDDTSBDSRW-UHFFFAOYSA-N 315.373 2.584 0 40 DFAB CC[C@@H](C(=O)OC)N(C(=O)c1cc(C)on1)c1ccccc1 96409920 KYRZFARUDGKBFF-AWEZNQCLSA-N 302.330 2.581 0 40 DFAB CC(C)c1nc(CNC(=O)C(=O)Nc2ccccc2F)cs1 71880124 FFPURNLFPBXEON-UHFFFAOYSA-N 321.377 2.661 0 40 DFAB CCCCc1nc(CN2CCC[C@H]2Cn2cc(C)cn2)no1 71875985 VPIFDKBJLGUQFW-AWEZNQCLSA-N 303.410 2.582 0 40 DFAB CCCOc1ccc(CNC(=O)N(C)Cc2ccco2)cn1 71886670 WAPCIYGOFYJZOE-UHFFFAOYSA-N 303.362 2.805 0 40 DFAB CN(CC1CC1)C(=O)COc1ccc2c(c1)OC(C)(C)CC2=O 71904261 WFNAZMABWUGJNP-UHFFFAOYSA-N 317.385 2.678 0 40 DFAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)NC(C)(C)C)cc1 9647760 DMEBNJSNQXLCPO-UHFFFAOYSA-N 320.418 2.531 0 40 DFAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC=CCC1 78948915 BCQLIUMFURRZGB-SJORKVTESA-N 313.397 2.935 0 40 DFAB OCCCCCCNc1ccccc1CN1CCC(CO)CC1 84504665 DVZYFCNABJGSOI-UHFFFAOYSA-N 320.477 2.856 0 40 DFAB c1cnc2nc(Sc3nnc(N4CCCC4)s3)ccc2n1 95395443 GGHPHKDPWHHETR-UHFFFAOYSA-N 316.415 2.628 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1cc(C)nc2c1cnn2C 84740861 FAHSXAJXHLGHEF-ZDUSSCGKSA-N 304.419 2.592 0 40 DFAB NC(=O)CCn1ccc(NCc2cc3ccccc3s2)n1 95427578 SRFCSJXIZFCAKJ-UHFFFAOYSA-N 300.387 2.585 0 40 DFAB CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc4cc[nH]c34)[C@@H]2C1 95438405 BTAXXGXBEOMERK-FVQBIDKESA-N 314.385 2.576 0 40 DFAB O=C1CC[C@@H](C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)N1 84838984 IHCBLVZWLKSTHZ-IYWWOYPTSA-N 312.413 2.750 0 40 DFAB C[C@@H]1SCCN(C(=O)NC2CC(C)(C)NC(C)(C)C2)[C@H]1C 95960273 SYSQGTDVYRLBNT-RYUDHWBXSA-N 313.511 2.831 0 40 DFAB Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9903652 KKJWYPSWUTVASI-UHFFFAOYSA-N 323.396 2.946 0 40 DFAB CN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27865962 PGINMPJZCWDQNT-GJZGRUSLSA-N 323.348 2.970 0 40 DFAB biogenic,in-vivo CC(=O)N/C(=C/c1ccccc1)C(=O)OCc1c(C)noc1C 21674705 CHECLICRSBXXEN-CXUHLZMHSA-N 314.341 2.512 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@@H](NCCCO)c1ccccc1 408734402 PQHKLGDOAWMIKY-INIZCTEOSA-N 318.804 2.992 0 40 DFAB N[C@@H]1CC12CC(NC(=O)NCCc1csc3ccccc13)C2 1551602096 ZNZQDSAUFKIHOX-YAJUMTOWSA-N 315.442 2.623 0 40 DFAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C 409003316 RUPRAXKPTHBBOQ-RBSFLKMASA-N 310.438 2.938 0 40 DFAB CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(C3CC3)c2)c1 528012264 SGUPQOXVUNMLDW-UHFFFAOYSA-N 312.373 2.528 0 40 DFAB CCCNC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2o1 32667821 ROCKKDOXYCPAAG-CYBMUJFWSA-N 300.358 2.564 0 40 DFAB O=C(Nc1ccc2[nH]ccc2c1)C1CCN(c2ncccn2)CC1 71287069 MXURITLEXDRIBA-UHFFFAOYSA-N 321.384 2.813 0 40 DFAB Cc1noc(CCCC(=O)Nc2cc(C(F)(F)F)ccn2)n1 180609628 QLTOGLAMDUDXIN-UHFFFAOYSA-N 314.267 2.753 0 40 DFAB COc1ccc2nc(CN3C[C@H]4CCCN4C[C@H]3C)ccc2c1 72324681 DRNXFUKSMYPUDH-RHSMWYFYSA-N 311.429 2.912 0 40 DFAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cc(C)no2)cc1C 32771596 KTTWQTQXJGIPMW-NSHDSACASA-N 316.361 2.689 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 72259983 PAOGKRUQVZAKOT-UHFFFAOYSA-N 317.341 2.955 0 40 DFAB C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 78615103 DXXOFBYERAQSNE-SECBINFHSA-N 318.236 2.691 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H](C)Cn1nc(C)cc1C 195531295 YLUAOELFMLFMON-BYCMXARLSA-N 324.494 2.719 0 40 DFAB CCc1cc2c(=O)n(C[C@H]3CC[C@H](CN)CC3)cnc2s1 570088740 NVRWUTOOANDEKP-HAQNSBGRSA-N 305.447 2.786 0 40 DFAB CCOCC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165826 ZONBYUATJVPRBS-GJZGRUSLSA-N 320.389 2.699 0 40 DFAB C[C@H](CNC(=O)CCc1cccnc1)Oc1ccccc1F 80751573 ZSFVTTMIJSWVLE-CYBMUJFWSA-N 302.349 2.737 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccncc3)CC2)CN1C(C)C 96051763 UZMWVFRNMJCXGL-SFHVURJKSA-N 317.477 2.793 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96404725 NCZOOMYFOSQXHC-ILXRZTDVSA-N 320.820 2.571 0 40 DFAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccsc2)nc1 96058039 DYWJLAGTDBVIIG-ZMSDIMECSA-N 316.426 2.954 0 40 DFAB Cc1ccc(C(=O)OCc2cnccn2)cc1Br 95406070 LENGYHIPWLCZKO-UHFFFAOYSA-N 307.147 2.905 0 40 DFAB O=C(NCC[C@H]1CCCCO1)NC[C@H]1CCOc2ccccc21 96500149 MNGAEEOHCPYUEL-HUUCEWRRSA-N 318.417 2.811 0 40 DFAB CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(F)cc3C)C2)C1 96110854 JVCRQSJZBRIZSI-YOEHRIQHSA-N 307.365 2.544 0 40 DFAB CCSc1cncc(N[C@H](C)c2nnc3ccccn23)n1 96453387 NJSYIHRAOWYVPD-SNVBAGLBSA-N 300.391 2.804 0 40 DFAB C[C@H](CNC(=O)N1CCOCC[C@H]1C)c1ccc(F)c(F)c1 95459995 QKHPNQVIIGKZKN-VXGBXAGGSA-N 312.360 2.889 0 40 DFAB CC[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1F 95433324 MDJNAKSCZGBAON-CVEARBPZSA-N 323.389 2.616 0 40 DFAB Cc1cc(NC(=O)NCC[C@H](C)O)nn1-c1ccccc1Cl 96495624 HLLACHRTFCYRAS-NSHDSACASA-N 322.796 2.727 0 40 DFAB CCOc1ncccc1CN[C@H](C(=O)OC)c1ccc(F)cc1 96410391 ZLGLBXQOSGPSGU-HNNXBMFYSA-N 318.348 2.623 0 40 DFAB CCC[C@@H](C(=O)NCCn1cnnc1C1CC1)c1ccccc1 96411893 TXCPGHOEXUJVHV-MRXNPFEDSA-N 312.417 2.856 0 40 DFAB CCS(=O)(=O)N(C)C1CCN([C@@H](C)c2cccc(C)c2)CC1 96443335 XMYIXGWOJQFNEQ-HNNXBMFYSA-N 324.490 2.802 0 40 DFAB COC(=O)C1(CNC(=O)N(C)Cc2ccco2)CCCCC1 96502321 CVLXSGUCEIFRKO-UHFFFAOYSA-N 308.378 2.545 0 40 DFAB Cc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 249398599 UFESEWDLHKRCQW-IJLUTSLNSA-N 302.344 2.612 0 40 DFAB c1cncc(CO[C@@H]2CCOC3(C2)CN(Cc2ccco2)C3)c1 247969829 UEQJXSVNRINTHK-MRXNPFEDSA-N 314.385 2.625 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257302254 SCDNQLHKUDHQAE-ZDUSSCGKSA-N 323.400 2.625 0 40 DFAB COc1ccc2c(c1)[C@H](NCc1nnc(C)s1)CCCO2 543739574 BZNGVOPBCAWBKZ-CYBMUJFWSA-N 305.403 2.859 0 40 DFAB c1csc(COC[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)n1 253592609 XGSFCOYDGXLJAJ-DZKIICNBSA-N 308.447 2.549 0 40 DFAB O=C(NCCCn1ccnc1)c1cccc(Oc2ccccn2)c1 96122652 KPSVFOSLNMHAJB-UHFFFAOYSA-N 322.368 2.891 0 40 DFAB O=C(c1ccc2nn[nH]c2c1)N1CCC[C@@H]1CCc1ccncc1 585181336 NUXOWGHTQYZYQO-OAHLLOKOSA-N 321.384 2.590 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CCSc2ccccc21 47871016 BSSALRDRKIFZTD-TZMCWYRMSA-N 316.430 2.808 0 40 DFAB CCN(CC)[C@H](CNC(=O)C[C@H](O)C(C)C)c1ccccc1 95432628 NFDUABVSDRPEEQ-SJORKVTESA-N 306.450 2.593 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2cccc(F)n2)c1Cl 97096137 XRHLBRSVXOMGME-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB CCOc1ccc(NC(=O)N2CC(OCC(F)(F)F)C2)cc1 585365811 ZMXYHZDCTPDSGP-UHFFFAOYSA-N 318.295 2.880 0 40 DFAB Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1 96010206 DZKUKODVKJSSMA-CQSZACIVSA-N 305.422 2.737 0 40 DFAB COC(=O)C1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 13668521 YKJCBNDFKACXCR-CYBMUJFWSA-N 321.442 2.720 0 40 DFAB C[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 13991781 ZOIQFLQAFIGPBS-CYBMUJFWSA-N 317.360 2.937 0 40 DFAB CCOCCCNC(=S)Nc1cccc(N2CCCC2=O)c1 18167974 KCFSFNGUSAFFSO-UHFFFAOYSA-N 321.446 2.526 0 40 DFAB COc1ccc(C(=O)NC[C@@H](O)c2sccc2C)cc1F 206699062 AWAYQZXXVFLNMW-GFCCVEGCSA-N 309.362 2.668 0 40 DFAB CO[C@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1cccc(C)c1 643914684 WGEFGIPXDLKOEQ-MJGOQNOKSA-N 313.445 2.808 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 12138969 ODPNZLMTXRXZDB-JKIFEVAISA-N 305.418 2.892 0 40 DFAB aggregator COc1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 5549892 ACSZODYBVXUHKT-UHFFFAOYSA-N 312.369 2.578 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3c2CCCC3)C1 1889091536 RKVSRGSRFZDJDC-CQSZACIVSA-N 310.401 2.717 0 40 DFAB CCS(=O)(=O)N1CCN=C1SCc1cc(C)ccc1C 2711615 PBFHQKZYDPDTPU-UHFFFAOYSA-N 312.460 2.558 0 40 DFAB CNC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 4275809 RUYZHMUWBQXBKL-UHFFFAOYSA-N 317.395 2.970 0 40 DFAB O=C(COc1ccccc1)Nc1nnc(Cc2cccs2)o1 11694662 NDTQZJGQTYRQEC-UHFFFAOYSA-N 315.354 2.739 0 40 DFAB CSc1cccc(NC(=O)C(=O)NCCc2ccsc2)c1 13724309 DHYPFSGUNGIQQK-UHFFFAOYSA-N 320.439 2.767 0 40 DFAB O[C@]1(CNc2ncnc3ccsc23)CCOc2ccccc21 1775972446 GULLPNCZTWQLMZ-INIZCTEOSA-N 313.382 2.774 0 40 DFAB CC(C)c1ccc2c(c1)s/c(=N/C(=O)c1ccn(C)n1)n2C 101070120 AHRHQNRVXGAFLD-WUKNDPDISA-N 314.414 2.838 0 40 DFAB O=C(NCc1ccco1)c1cc(OCc2ccccc2)ncn1 225533408 HCRYGJHZPNCUDV-UHFFFAOYSA-N 309.325 2.579 0 40 DFAB CCOC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccc(C)cc12 1366075 KRLIDFQSBADIEU-VIFPVBQESA-N 316.386 2.858 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@H](C)CO1 40082882 KGPIMOXXMQRSRH-GHMZBOCLSA-N 319.792 2.980 0 40 DFAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 30342865 AMXRFHPDBKPCAA-OAHLLOKOSA-N 304.733 2.900 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H]1C=C[C@H]2C[C@H]1C(=O)O 100127936 OCPXVYJOXILWKM-XQQFMLRXSA-N 307.390 2.910 0 40 DFAB in-vitro CN(Cc1ccccc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 40526590 CXLFXCIORJRCKT-UHFFFAOYSA-N 318.398 2.754 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCCCc2ccccc21 40548623 UPHQUFYELPPXQV-DZGCQCFKSA-N 300.402 2.518 0 40 DFAB COc1ccc(NC(=O)c2cnn3cccnc23)cc1Cl 211043 DIXCDKIJOTXFIW-UHFFFAOYSA-N 302.721 2.644 0 40 DFAB Cc1cnc(CNc2ccc(S(=O)(=O)C(F)F)cc2)o1 92662880 HHGDNFJUZXTODO-UHFFFAOYSA-N 302.302 2.591 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2ccc(C)o2)cc1OC 7975784 CRRNIYSFUWBEST-UHFFFAOYSA-N 318.373 2.676 0 40 DFAB CCOc1ccc2nc(NC(=O)c3csnn3)sc2c1 11914769 SEKFTYLXVJNDNV-UHFFFAOYSA-N 306.372 2.799 0 40 DFAB O=C(Nc1ccccc1F)c1nn(-c2ccccc2)ccc1=O 12062861 MPJYCENLFNSWLK-UHFFFAOYSA-N 309.300 2.624 0 40 DFAB Cc1cccc(S(=O)(=O)CS(=O)(=O)c2cccc(C)c2)c1 1712056 IVCKPVXMLYBDOM-UHFFFAOYSA-N 324.423 2.509 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 1887434 QUHPVLNAMJWDMN-INIZCTEOSA-N 309.321 2.609 0 40 DFAB Cc1nn(C)cc1-c1nnc([C@H](C)n2ncc(Cl)c2C)o1 2787609 SXENBLNLZREXCN-VIFPVBQESA-N 306.757 2.546 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccc1 3153553 CIDOBUGBBDHJAO-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3437054 LVMDJLMDNLMWGD-UHFFFAOYSA-N 313.309 2.519 0 40 DFAB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@@H](C(=O)N2CCOCC2)C1=O 6615442 RNRIVVUGERBUEA-MGPQQGTHSA-N 309.450 2.759 0 40 DFAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1O 6678561 PVMNZKMOLJMQQQ-OQPBUACISA-N 319.386 2.596 0 40 DFAB CCc1nnc2c(NC[C@@H]3CCCN3CC)nc3ccccc3n12 7504197 SLKJFXUKLLLPLQ-ZDUSSCGKSA-N 324.432 2.736 0 40 DFAB Cn1cccc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 32910965 VLZMXGIAJDSUPU-UHFFFAOYSA-N 312.369 2.618 0 40 DFAB COc1ccc(-n2c(SCC(N)=O)nc3ccccc32)cc1 8012525 GSWFADKLDIMDTE-UHFFFAOYSA-N 313.382 2.612 0 40 DFAB O=C(C1CC1)N1CCC[C@@H](c2nc(Cc3cccs3)no2)C1 72274905 ICABVXJPFMMKOG-GFCCVEGCSA-N 317.414 2.838 0 40 DFAB NC(=O)CN(Cc1cc(F)cc2cccnc12)C1CCCC1 52826650 VRTRNRMWFMLDNG-UHFFFAOYSA-N 301.365 2.604 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(noc2C)C[C@@]1(C)O 105593133 UNPRVHNJQVGCOX-GVDBMIGSSA-N 303.333 2.766 0 40 DFAB COCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(C)cs1 72284700 VTVGWZLLFXNLGW-STQMWFEESA-N 312.435 2.557 0 40 DFAB C[C@@H](NC(=O)CNCCn1cccn1)c1cccc2ccccc12 72267833 ZPFHTBVJJZKTQP-OAHLLOKOSA-N 322.412 2.503 0 40 DFAB COc1ccc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 97038340 IBWLGIHHILLZOI-LLVKDONJSA-N 320.414 2.975 0 40 DFAB O=C(Nc1cccc(COCc2ccco2)c1)N1CCOCC1 47602524 QSRGYOCUOWCNRX-UHFFFAOYSA-N 316.357 2.861 0 40 DFAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)NC1CCCCCC1 22543869 KBPGCRVWSXDODE-LBPRGKRZSA-N 324.450 2.587 0 40 DFAB Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24061133 IODDUYVZZYEWMX-IBGZPJMESA-N 324.424 2.798 0 40 DFAB CCN(CC(=O)NC(C)C)Cc1ccccc1Br 42976647 ZOVCAUKMCZJMSL-UHFFFAOYSA-N 313.239 2.796 0 40 DFAB CC(=O)N1C(=S)NC(=O)/C1=C/c1ccc(Cl)c(Cl)c1 102862457 PJXTXHJGDKGASW-YHYXMXQVSA-N 315.181 2.598 0 40 DFAB Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1 24987219 ANUVHSVSRGNHSC-AWEZNQCLSA-N 309.369 2.920 0 40 DFAB CCn1cnnc1CNC(=O)c1oc2c(C)ccc(C)c2c1C 56407204 SLYGMZUVHMWZCY-UHFFFAOYSA-N 312.373 2.899 0 40 DFAB CC(C)CNC(=O)COC(=O)c1c(Cl)cccc1Cl 3289586 OBVPBVGIRGAETA-UHFFFAOYSA-N 304.173 2.922 0 40 DFAB O=C(NC[C@H]1COCCO1)Nc1ccccc1OC1CCCC1 56630466 OYOHDQORVOSRAA-AWEZNQCLSA-N 320.389 2.545 0 40 DFAB COCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)CCCC1 108107872 YOTYHEPVVUGWKA-YESZJQIVSA-N 320.477 2.526 0 40 DFAB CCC[C@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57414821 ZVBGDKQJEDTWCC-AWEZNQCLSA-N 323.868 2.767 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)Nc2nncs2)cc1 44935443 GBOZCBYJPXWWHL-GFCCVEGCSA-N 304.375 2.916 0 40 DFAB CN(C(=O)c1ccc[nH]c1=O)[C@@H](c1ccccc1)c1ccccn1 58393043 PLTFKCSHEDPQEP-KRWDZBQOSA-N 319.364 2.632 0 40 DFAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2cnco2)cc1 58365152 YZWIJPLVMWKQPI-UHFFFAOYSA-N 314.341 2.859 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2O)on1 11007889 OHZMWERUEFUKRJ-QMMMGPOBSA-N 324.720 2.526 0 40 DFAB CCCCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 2408516 KKGSQIKOIWRJAY-UHFFFAOYSA-N 311.385 2.506 0 40 DFAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)c1ccccc1F 28913965 RXZGTKXNZKTJRD-HNNXBMFYSA-N 318.735 2.923 0 40 DFAB CCCCN(CC(N)=O)Cc1ncc(-c2ccc(F)cc2)o1 45805688 IBRJYYSDPDLERA-UHFFFAOYSA-N 305.353 2.568 0 40 DFAB Cn1ncc(C(=O)Nc2cc(F)c(F)cc2F)c1-n1cccc1 69968432 GUIUXJVDMAYHCV-UHFFFAOYSA-N 320.274 2.880 0 40 DFAB CCCc1nc(C)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1 81701251 HIVKYNJIZOCQDU-UKRRQHHQSA-N 316.426 2.792 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)cc1 8276238 GPBBLVVXTNZIGB-DOMZBBRYSA-N 309.431 2.540 0 40 DFAB COc1ccc(CNC(=O)c2ccc(F)cc2F)cc1C(=O)O 13392914 VUXPJNAKSRBVNJ-UHFFFAOYSA-N 321.279 2.602 0 40 DFAB Cc1ccnc(NC(=O)c2cnn3c(-c4ccco4)ccnc23)c1 13644573 IOISGWVFWLHILB-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccsc2)C1 69433554 TWHUGWZYTIKSEZ-LFAOLKIESA-N 320.458 2.916 0 40 DFAB Cn1cc(C(=O)OCC(=O)N2CCCCCC2)c2ccccc21 5261252 SKJLZLWCSPTYOB-UHFFFAOYSA-N 314.385 2.738 0 40 DFAB CC1(C)CCCN1C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 69535120 QWXZLUHEINKLPW-IZZDOVSWSA-N 312.413 2.993 0 40 DFAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cccc(Cl)c1 5628729 MZSKAHDIANKEHY-UHFFFAOYSA-N 306.749 2.573 0 40 DFAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cccc(F)c2F)C1=O 8546664 FBVLZZOWRLYAMY-HNNXBMFYSA-N 306.268 2.525 0 40 DFAB COc1ccccc1NC(=O)N[C@H](CO)[C@@H](C)c1ccccc1 69777534 JGTFSTZIQMCCMV-XJKSGUPXSA-N 314.385 2.981 0 40 DFAB O=C(COC(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 6982419 KYNXZWZCWMKJGS-UHFFFAOYSA-N 319.426 2.990 0 40 DFAB COC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1 7401525 VRYVDCBKZACWHJ-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB CCCn1nc(NC(=O)CCOC)c2cc3ccccc3nc21 9013187 OQQIPEKNCCFBCI-UHFFFAOYSA-N 312.373 2.970 0 40 DFAB Cc1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)no1 9155933 UBUKNYASMRKJHZ-UHFFFAOYSA-N 321.720 2.573 0 40 DFAB CC(C)Oc1ccc(CNC(=O)Nc2ccncc2F)cn1 97135989 NXDPUYVBJHEQOY-UHFFFAOYSA-N 304.325 2.725 0 40 DFAB O=C(c1cc[nH]c1)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245568 SOEWBFDRKVNUQJ-KGLIPLIRSA-N 324.302 2.982 0 40 DFAB C[C@H](C[S@@](C)=O)N(C)c1nc(C(F)F)nc2ccccc12 96011434 FOTQOCXIUNFWHR-BTKVJGODSA-N 313.373 2.771 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)Nc2ccnn2C(C)C)C12CCC2 96433790 NROAOZVLTMEUMU-OLZOCXBDSA-N 306.410 2.933 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2ccco2)C1 71870706 NFLNTRWAKVMSPA-AWEZNQCLSA-N 301.390 2.835 0 40 DFAB CN(C(=O)NCc1nccn1CCCc1ccccc1)C1CC1 83751944 DUOZMCVZEXGDKH-UHFFFAOYSA-N 312.417 2.820 0 40 DFAB CC(C)(C)c1cc(NC(=O)COC(=O)c2cccs2)on1 9642659 CJBOONHXYHILPH-UHFFFAOYSA-N 308.359 2.829 0 40 DFAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1ccncc1 79492968 VWECAFOGZQNZMB-GFCCVEGCSA-N 304.375 2.989 0 40 DFAB CCO[C@@H](CC)C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 72527205 ULDZQONPKSRYPK-RDJZCZTQSA-N 313.401 2.829 0 40 DFAB COC(=O)c1ccccc1CC(=O)N[C@H](C)Cc1cccs1 95456868 NQWJGLLXSMTSGW-GFCCVEGCSA-N 317.410 2.825 0 40 DFAB CC[C@@H](CNc1ccc2n[nH]c(=O)n2n1)c1ccc(Cl)cc1 95425674 UXKDKATZWUGMDS-JTQLQIEISA-N 317.780 2.677 0 40 DFAB Cc1nc(C)c(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)s1 95995062 UWHGMBJBLTUUGP-GFCCVEGCSA-N 311.451 2.905 0 40 DFAB CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1=O 95954759 HJGUTWKVACVMSJ-GVDBMIGSSA-N 314.429 2.697 0 40 DFAB Cc1sc(CCNC(=O)c2cnc[nH]2)nc1-c1ccccc1 75092974 AYRVTDNYGCPGHO-UHFFFAOYSA-N 312.398 2.814 0 40 DFAB C[C@@H](CNC(=O)Nc1cc(F)ccc1F)CC1(C)OCCO1 75094176 OHIRWDMOODAINF-SNVBAGLBSA-N 314.332 2.876 0 40 DFAB C[C@H](Cc1ccsc1)N[C@@H]1CCCN(c2cccnn2)C1 89732903 JLCFASKKDBTJMH-UKRRQHHQSA-N 302.447 2.728 0 40 DFAB CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)c1cccs1 89775543 XUPWRZUYIOZPLL-AWEZNQCLSA-N 303.427 2.746 0 40 DFAB O=C(Nc1ccccn1)N(CCCO)[C@@H]1CCc2ccccc21 89858119 SOVQUMCNCYBFLH-MRXNPFEDSA-N 311.385 2.985 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H]2CCSc3ccc(F)cc32)C1 89941615 WZVOFJFLRUSYHQ-JSGCOSHPSA-N 308.422 2.963 0 40 DFAB CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 89960148 ALDYYZXSZYUCSM-KBPBESRZSA-N 312.417 2.709 0 40 DFAB Cc1ccc(Nc2ccc(NC(=O)c3ncccn3)cc2)nn1 56906823 HJNFZFRMVSVPEX-UHFFFAOYSA-N 306.329 2.571 0 40 DFAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)C[C@H]1C=CCC1)[C@@H]3C2 183815196 STQRXDVMVTWSAI-CFAJVAMVSA-N 323.458 2.710 0 40 DFAB COC(=O)[C@@H](C)[C@H](NCc1c(C)noc1C)c1ccccc1 79922830 YOSKVEKFFYOLOU-ZBEGNZNMSA-N 302.374 2.931 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72227170 XCYDIISJCCIXMU-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Cc1ccnc(OC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203029 LTOSTGNHJYEUNM-ZDUSSCGKSA-N 307.394 2.953 0 40 DFAB C[C@H](CNc1ccnc2c(F)ccc(F)c12)N1CCN(C)CC1 78988181 AKKBQRZAWIEPHW-GFCCVEGCSA-N 320.387 2.561 0 40 DFAB CN(CC1(c2ccccc2)CC1)C(=O)N[C@@H]1CCCOCC1 186574630 BABDAUXMZNTLQS-MRXNPFEDSA-N 302.418 2.929 0 40 DFAB c1cc([C@H]2CCCN2Cc2ccncc2)nc(-n2ccnc2)c1 72355442 WXHYLTRBLVFJAF-QGZVFWFLSA-N 305.385 2.999 0 40 DFAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1cc(F)ccc1F 40285526 HKKNVHGKXHKFQG-NVXWUHKLSA-N 300.308 2.889 0 40 DFAB Cc1cccc(NC(=O)COc2ccn(-c3ccccc3)n2)n1 226853395 OJXPCLNVQOJWNS-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB Nc1cc(N2CCC3(CC2)OCCO3)cc(C(F)(F)F)c1 228929170 MHLARZKFNKAIAY-UHFFFAOYSA-N 302.296 2.631 0 40 DFAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)NCc2ccc(F)cc2)C1 226752844 SZIXFUQCSHXIBK-MSOLQXFVSA-N 312.388 2.787 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](CO)[C@@H]1c1ccccc1 225634902 LWUQMQUMQLZFBY-JYJNAYRXSA-N 322.813 2.888 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CCCCO2)ccn1 195551763 KHYLCBXFTZXDEN-HIFRSBDPSA-N 306.406 2.900 0 40 DFAB Cc1nccn1-c1ncccc1CNC(=O)[C@H]1C[C@@H]1c1ccco1 195529610 IBXQVXCAAYXMLX-GJZGRUSLSA-N 322.368 2.589 0 40 DFAB Cc1[nH]ccc1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 95408741 ODMLOSUMZFOUHX-JSGCOSHPSA-N 321.421 2.746 0 40 DFAB CNC[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 96460557 BNNKFPJWNNEBPY-JTQLQIEISA-N 318.314 2.916 0 40 DFAB CC[C@H](N[C@@H](CC)c1ccc(F)cc1)C(=O)N1CCOCC1 96479164 QHBQOKDTIMLPLF-HOTGVXAUSA-N 308.397 2.504 0 40 DFAB c1csc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)c1 96048547 BGAUJLZCNIIICF-GOEBONIOSA-N 303.431 2.941 0 40 DFAB c1cc(CN2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)cs1 96184426 DHUZUPDLTNVSTQ-SJORKVTESA-N 306.475 2.823 0 40 DFAB Fc1cc(F)cc(CN2CCN(Cc3ccncc3)CC2)c1 97236853 MAAMWNQTOYIRKQ-UHFFFAOYSA-N 303.356 2.678 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CCCc2ccccc2)C1 96492779 DHZDLLLJSWVUKT-CRAIPNDOSA-N 316.445 2.773 0 40 DFAB C[C@@]1(C(=O)NCc2ccco2)CC(c2ccccc2F)=NO1 96192491 XJJUIQBMXBVECN-INIZCTEOSA-N 302.305 2.618 0 40 DFAB C[C@H](c1ccco1)N(C(=O)c1cccc(C(=O)O)n1)C1CC1 97228563 HRZVBOFZYAJSBY-SNVBAGLBSA-N 300.314 2.739 0 40 DFAB C[C@@H](NC(=O)NCc1ccccc1OCCO)c1ccccc1 96421387 VQCYBWNYCJLYSM-CQSZACIVSA-N 314.385 2.618 0 40 DFAB O=S1(=O)CCC[C@@H]1CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 249072476 AANPOYANEMYSQW-GVDBMIGSSA-N 307.459 2.565 0 40 DFAB c1cncc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1 253601469 BAPCCJNRVAAEOP-HOTGVXAUSA-N 314.458 2.635 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 257343599 ZTQKXMXNFGIRGM-HNNXBMFYSA-N 301.438 2.950 0 40 DFAB Brc1c(C2CCOCC2)n[nH]c1C1CCOCC1 256053160 QGYHVBGBMOUCRS-UHFFFAOYSA-N 315.211 2.960 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3nc(C)c[nH]3)cn2c1 257278658 ODCRTJGBLMEDLR-CQSZACIVSA-N 309.373 2.652 0 40 DFAB CC(=O)N1CCN(Cc2csc(C)n2)[C@@H](c2ccccc2)C1 257300609 RVATUBXNIMYGBX-QGZVFWFLSA-N 315.442 2.857 0 40 DFAB Cc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cn1 585269120 KHYJDGHIFYSHSY-IBGZPJMESA-N 312.413 2.796 0 40 DFAB CN1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 585101958 NFZLQFYFRSZXGD-QGZVFWFLSA-N 306.837 2.969 0 40 DFAB CC(C)(C)OC(=O)N1CCOc2nc(Br)ccc21 694776476 WSZHTABXNDTBRO-UHFFFAOYSA-N 315.167 2.978 0 40 DFAB CCC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 55596340 MUJHKXNHLAIWBB-HNNXBMFYSA-N 318.417 2.665 0 40 DFAB CCOc1cc(CNCC2([C@H](O)C(C)C)CC2)ccc1OC 95463780 MDXJZWZLCKPBIR-QGZVFWFLSA-N 307.434 2.981 0 40 DFAB C[C@@H](NCCCn1ccnc1)c1ccc(N2CCOC2=O)cc1 95419073 ZJAVIPJPSIXCDT-CQSZACIVSA-N 314.389 2.581 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)n1C 96426221 JZBVJGHJVIBFSS-AWEZNQCLSA-N 308.385 2.707 0 40 DFAB Cc1ccccc1C1=N/C(=C2\OC(=O)c3ccccc32)C(=O)O1 5549112 VYOHOGSYZUZNKZ-PFONDFGASA-N 305.289 2.838 0 40 DFAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 9448352 VOFKXEWWUQNGOS-UHFFFAOYSA-N 304.296 2.642 0 40 DFAB CCCCCc1nnc(NC(=O)Cc2c(C)n[nH]c2C)s1 9460092 UVPVJCMBYAMHSP-UHFFFAOYSA-N 307.423 2.792 0 40 DFAB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)no2)cc1 11170992 VBMLTQICIQDJIH-ZDUSSCGKSA-N 317.389 2.841 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(N2CCCCCC2)nc1 29821882 KESXFHNLOLQKOW-UHFFFAOYSA-N 301.312 2.754 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17307466 PQIVOZTZXIXSOT-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB Cn1cc(-c2cncc(CNC(=O)Oc3ccccc3)c2)cn1 575616332 LDAKQGCIMUXZCB-UHFFFAOYSA-N 308.341 2.771 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C3CCC3)ncn2)C1 2298174696 LEOHZIQBLCOVPX-CQSZACIVSA-N 316.449 2.875 0 40 DFAB Cc1ccc(C2=N/C(=C/Nc3nc(C)cc(C)n3)C(=O)O2)cc1 100135943 JJSASDHARYHLTR-NTEUORMPSA-N 308.341 2.659 0 40 DFAB COc1ccc(C(=O)n2c(=O)oc3ccc(Cl)cc32)cc1 187254 DWEDUZQCXMFNQO-UHFFFAOYSA-N 303.701 2.945 0 40 DFAB biogenic O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@@H]1COc2ccccc2O1 168337 PVENFFMOTIABFL-INIZCTEOSA-N 321.336 2.855 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc3c1ccn3C)C2 101348375 FOCAQJXHWDLUPF-GJZGRUSLSA-N 311.429 2.923 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 20902687 IZZZYIBLRJGVNU-CYBMUJFWSA-N 314.385 2.594 0 40 DFAB O=C(CSc1ccccc1F)N[C@H]1CCCC[C@H]1C(=O)O 70525063 GHILMJZNRSRYPU-PWSUYJOCSA-N 311.378 2.677 0 40 DFAB CN(Cc1ccco1)C(=O)NC[C@H](c1ccsc1)N(C)C 46346965 OGYJQAVATPQBFQ-CQSZACIVSA-N 307.419 2.785 0 40 DFAB Cc1ccnc(N2CCC(C(=O)Nc3ccccc3F)CC2)n1 4965939 CTCMHBOCTDQPDW-UHFFFAOYSA-N 314.364 2.779 0 40 DFAB COc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 6763519 FYTLQJRXPQXUDE-LBPRGKRZSA-N 313.353 2.957 0 40 DFAB Cc1nn([C@H](C)C(=O)Nc2nccs2)cc1Br 2780716 JIDLLSPABIZQFU-SSDOTTSWSA-N 315.196 2.610 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1COc2ccccc21 76092849 LKRIDFVEMHIGMU-OAGGEKHMSA-N 311.385 2.659 0 40 DFAB COC(=O)c1ccccc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C1=O 104807967 NMWLARHYKFPCLE-ZIAGYGMSSA-N 313.353 2.709 0 40 DFAB COc1cccc(-c2cc3nc(C(=O)O)cc(C4CC4)n3n2)c1 41543181 SQCNPALXPMMSSK-UHFFFAOYSA-N 309.325 2.981 0 40 DFAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(N)CC2)c1 33451246 MVVFINYLCBADSU-AWEZNQCLSA-N 304.434 2.835 0 40 DFAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1 9064179 HZKZGFKCYHWQER-UHFFFAOYSA-N 312.354 2.723 0 40 DFAB COC(=O)CC1CCN(C(=O)c2ccc3c(ccn3C)c2)CC1 61721610 QDGDWIUJKFDLFN-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB 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ZLJFBIKTVWNLSS-KOLCDFICSA-N 320.414 2.707 0 40 DFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 1022044 BFNJTLFVTAZZDJ-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB CC(=O)NCCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 23976338 ODYPNLJCNABGHZ-MRVPVSSYSA-N 303.189 2.697 0 40 DFAB OC[C@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 97081885 NQAJXMLYUKMMPZ-GJZGRUSLSA-N 304.415 2.818 0 40 DFAB CCN1C[C@H](COC(=O)c2ccc3nc(C)ccc3c2)CC1=O 97022199 WDYFVMXQODPINH-CYBMUJFWSA-N 312.369 2.568 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)N[C@H](C)Cc2cccc(F)c2)C1 110663830 MLHKPVRWKPUVMB-ZBFHGGJFSA-N 321.440 2.740 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)CCCN1CCOC1=O)[C@@H](C)C2 97079954 YDCGTYPWLJZAJC-SUMWQHHRSA-N 316.401 2.577 0 40 DFAB CC(C)(C)c1nc(C(=O)N2CCC[C@@H](n3cncn3)C2)cs1 72235071 LTIYYCNXDVWOQB-LLVKDONJSA-N 319.434 2.509 0 40 DFAB COCc1ccccc1C(=O)NCc1ccccc1-n1ccnc1 55696955 KDCASSMLSYDMJZ-UHFFFAOYSA-N 321.380 2.949 0 40 DFAB COCCn1cc(NC(=O)N2CC[C@H]2c2ccccc2)cn1 47876567 KWZSIFCFYGEYCI-HNNXBMFYSA-N 300.362 2.508 0 40 DFAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N[C@@H](C)c1ccccc1 58018708 ALVWOONLIMKRNJ-RYUDHWBXSA-N 324.384 2.534 0 40 DFAB Cc1cc(NC(=O)N(CCO)C(C)C)nn1-c1ccc(F)cc1 97113929 HNXQFULVXGEUSR-UHFFFAOYSA-N 320.368 2.554 0 40 DFAB Cc1noc([C@@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 58159624 DGRDLFYDAXRQSK-SNVBAGLBSA-N 323.418 2.715 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)n1cncn1 58267086 YYHDMYMQEDBBPN-AWEZNQCLSA-N 322.368 2.948 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)/C=C/c2cccs2)n1 58313092 ZULKCYTYZFLZPN-BQYQJAHWSA-N 315.398 2.610 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)n1 36397348 ZXJMCQAUMDAVQW-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB CC(C)C(=O)NC(=S)Nc1c(Cl)ccc2nsnc12 2329792 UKDIWPNEKIJPMR-UHFFFAOYSA-N 314.823 2.814 0 40 DFAB COc1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1F 12775620 SGZAUPXLYQTEMR-UHFFFAOYSA-N 316.332 2.723 0 40 DFAB c1ccc(-n2nnnc2CSc2nncc3ccccc23)cc1 12916409 DIUBWCFQQYPUNQ-UHFFFAOYSA-N 320.381 2.898 0 40 DFAB COc1ccccc1COc1ccc2nc3n(c(=O)c2c1)CCC3 12900790 MYFIOBPMIZPCNE-UHFFFAOYSA-N 322.364 2.930 0 40 DFAB biogenic CCn1c(C)cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1C 71796874 VXQBRKAYDHDSCV-INIZCTEOSA-N 300.406 2.836 0 40 DFAB Fc1ccccc1Cc1nnc2sc(-c3cccnc3)nn12 8715039 RCMLDVCPFQFSRT-UHFFFAOYSA-N 311.345 2.978 0 40 DFAB CCN(CC)CCNc1ncnc2c1[nH]c1cccc(OC)c12 5163767 NTXOYCAKWNWULF-UHFFFAOYSA-N 313.405 2.873 0 40 DFAB O=C(NCCC(=O)N1CCCC1)c1cc2ccccc2s1 8848177 NSMBZXIQFHRHOL-UHFFFAOYSA-N 302.399 2.644 0 40 DFAB O=C(C[C@H](c1ccccc1)c1ccco1)N1C[C@@H]2CC[C@H](C1)N2 65397230 QTIOXAKAFZHXHD-IXDOHACOSA-N 310.397 2.764 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)cc2)NC(=S)N1 6300676 DUPDHQRKTLFFOV-OAHLLOKOSA-N 318.442 2.987 0 40 DFAB Cc1ccccc1-c1nnn(CC(=O)Nc2c(C)cccc2C)n1 6303086 XRSOSGBOYWPGLI-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1O 14245056 XLMAVVKHAQCQAI-UHFFFAOYSA-N 312.325 2.719 0 40 DFAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCOCC1 8992556 AZHIVYOVGLILTA-UHFFFAOYSA-N 313.382 2.559 0 40 DFAB Cc1cnc(C(C)(C)NC(=O)NCCCCn2ccnc2)s1 80097421 OIBKGRFWUIQUEY-UHFFFAOYSA-N 321.450 2.663 0 40 DFAB O=C(CCc1cccc(OC2CCCC2)c1)Nc1nc[nH]n1 67907864 RAEYGCCIIPRPDU-UHFFFAOYSA-N 300.362 2.697 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1 96005787 SGRLTOWLSYPBET-ZDUSSCGKSA-N 322.386 2.599 0 40 DFAB c1ccc2c(c1)CC(NCc1ccnc(O[C@H]3CCOC3)c1)C2 90954273 XZOXYTQEFHFNLR-SFHVURJKSA-N 310.397 2.506 0 40 DFAB O=S(=O)(NCc1ccccc1)Nc1ccc2ncccc2c1 71419275 HEGOZVFCWRODSB-UHFFFAOYSA-N 313.382 2.681 0 40 DFAB COc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 19889880 FISVOPPNAGRPSW-HOTGVXAUSA-N 318.461 2.769 0 40 DFAB O=C(Cn1cnc2ccccc21)Nc1ccc2c(c1)OCCCO2 8013089 UBNORDOOMICMGR-UHFFFAOYSA-N 323.352 2.836 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)c1 70007727 NOUDFTHRTQRFGC-NSHDSACASA-N 311.311 2.669 0 40 DFAB O=C(Nc1cccc(O)c1)C1=NN(c2ccccc2)C(=O)CC1 9531466 VDDJUOMNUJMAAR-UHFFFAOYSA-N 309.325 2.514 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCC(C)(C)N(C)C)c1 95397993 SARREKJEIPEWIY-UHFFFAOYSA-N 303.450 2.665 0 40 DFAB C[C@@H](C(=O)Nc1n[nH]c2ccccc12)N1Cc2ccccc2C1=O 95480694 HJCGRCBAJCWASP-NSHDSACASA-N 320.352 2.546 0 40 DFAB Cn1c(C(=O)NCCc2cnc[nH]2)cc2cc(Cl)ccc21 79484002 NBKNMEAQUTUMIC-UHFFFAOYSA-N 302.765 2.527 0 40 DFAB CC[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccc(F)cc1F 95985292 IAZGMLOCTBNIMU-CQSZACIVSA-N 322.359 2.984 0 40 DFAB Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)nn1C(C)(C)C 95947192 LMHFAWNVBROFJQ-CQSZACIVSA-N 315.373 2.502 0 40 DFAB Cc1ccc(O[C@H](C)CNC(=O)N(C)Cc2ccncc2)cc1 74783715 VHXHYLZSUFVKOQ-OAHLLOKOSA-N 313.401 2.999 0 40 DFAB CC(C)N1CC[C@H](N[C@H](C)c2cnc3ccsc3c2)C1=O 89728771 SHPDVUSXHMFSRP-RISCZKNCSA-N 303.431 2.956 0 40 DFAB O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N(CCO)C1CC1 89857731 NOGJIUUMEPYCDV-OAHLLOKOSA-N 316.401 2.599 0 40 DFAB CSC(=S)NCC1=NCc2ccc(Br)cc21 65734957 SGIKNMBQDBAPSS-UHFFFAOYSA-N 315.261 2.989 0 40 DFAB in-vitro C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccnc(Cl)n1 72203442 SCDQTNPUNUZWEM-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB O=C(NCc1nc(-c2ccccc2)no1)c1cc(Cl)ccn1 38490510 QUKBKRSDHVDELI-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 225515616 RECQOEGHWVOTBB-OAHLLOKOSA-N 322.412 2.594 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226387885 OAPZOXGLZGZDEE-FFRIZKCHSA-N 322.408 2.726 0 40 DFAB CCOC(=O)c1noc(Cc2ccc(Br)cc2)n1 40448020 MCNJGCNXCFVFOQ-UHFFFAOYSA-N 311.135 2.600 0 40 DFAB COCCCCS(=O)(=O)N1CCC[C@@H]1c1ccccc1C 133665306 KLWKCXPWTVWKJQ-MRXNPFEDSA-N 311.447 2.888 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H](c2ccsc2)O1 195539321 HMKKKCIDBHROQT-PWSUYJOCSA-N 323.443 2.605 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(CCc2ccccn2)C1 190732438 MOBRBRWFCQJHOU-OAHLLOKOSA-N 305.422 2.613 0 40 DFAB COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCc3cnccc32)c1 191140104 BYRLUKYHPDSZEL-ZBFHGGJFSA-N 324.380 2.792 0 40 DFAB COC(=O)c1nn(-c2ccccc2Cl)nc1C(F)(F)F 89261912 GUMBLHQGELNTJW-UHFFFAOYSA-N 305.643 2.726 0 40 DFAB Clc1ccccc1-c1nnc2sc(-c3ccn[nH]3)nn12 40266930 QJLWEEWIAAURRD-UHFFFAOYSA-N 302.750 2.896 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1 225537808 OGWMRVUCALGCTC-UHFFFAOYSA-N 324.384 2.922 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](Nc1ccccc1)C(C)C 96462503 HIUNFEIBMHRZIZ-MRXNPFEDSA-N 314.433 2.903 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)c1ccc(-n2nc(C)cc2C)nc1 97148377 JVWGBMLMHHOZPM-LSDHHAIUSA-N 315.373 2.608 0 40 DFAB Cc1cc(CN2CCn3c(COCC4CC4)cnc3[C@H]2C)no1 96109751 XPHKZKRNERMRMR-CYBMUJFWSA-N 316.405 2.683 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCC3(CC2)OC[C@H](C)O3)on1 96423761 IQTXVBWLCBHHIJ-LBPRGKRZSA-N 322.405 2.946 0 40 DFAB C[C@H](Nc1cccc(CN2CCOCC2)c1)C1CCN(C)CC1 97038039 JQEPPMKMKNVWBP-INIZCTEOSA-N 317.477 2.661 0 40 DFAB CC(C)(C)OC(=O)c1c(Cl)cc(C(=N)N)c(N)c1Cl 90623649 GWMGBIMAXUZCFU-UHFFFAOYSA-N 304.177 2.815 0 40 DFAB O=C(Cc1ccc2c(c1)OCC2)N1CCN(c2ccccc2)CC1 95476013 CVRZZAASIIAMGJ-UHFFFAOYSA-N 322.408 2.513 0 40 DFAB CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1c1ccccc1 257205449 AZCYFQVYMUUWHW-IBGZPJMESA-N 309.413 2.795 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1ccnc(NC)c1 257214777 CNKGRIARUVKDAH-GFCCVEGCSA-N 317.418 2.515 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(Cc2cccc(C(=O)O)c2)C1 257282452 OTVAGQMUWIFBBN-OAHLLOKOSA-N 313.401 2.871 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257310485 UFGRMNRNNWGWCQ-LPHOPBHVSA-N 317.429 2.740 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(CCC(F)(F)F)C1 257249583 JIZGTJLXTLBVIH-LLVKDONJSA-N 302.344 2.725 0 40 DFAB Fc1ccc(C[C@@H]2COCCN(Cc3cccnc3)C2)cc1 257343841 ZUQCBRZKEIAVRY-KRWDZBQOSA-N 300.377 2.912 0 40 DFAB COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc(F)cc1 262074866 XENQQARONLREOS-MRXNPFEDSA-N 314.360 2.621 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)O)cc2)co1 262959138 HWMWYALRBKPSFU-NSHDSACASA-N 303.314 2.542 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCC(=O)O)c2)CC1 263535899 OOAZIOYUGVHBBN-OCCSQVGLSA-N 305.374 2.849 0 40 DFAB Cc1nc(C)c(CN2CCC[C@]3(C2)CN(C(C)C)C3=O)s1 585099273 AFIAQIMWGOAENJ-INIZCTEOSA-N 307.463 2.593 0 40 DFAB Cc1ncccc1CN1CC[C@](O)(COc2cccc(F)c2)C1 585275013 TWJUFPPOYDFLCV-GOSISDBHSA-N 316.376 2.545 0 40 DFAB COc1ccc(CCC(=O)NC[C@@H](O)C2CCCCC2)cc1 69496282 OPNKKJFSYWINKW-QGZVFWFLSA-N 305.418 2.685 0 40 DFAB O[C@H]1CCN(C2CCOCC2)C[C@H]1Cc1ccc(Cl)cc1 1615190765 HQUWUWQJBJEZFS-PBHICJAKSA-N 309.837 2.744 0 40 DFAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 5197712 HKAWCARYPULOGM-BIMULSAOSA-N 308.378 2.532 0 40 DFAB COc1cccc(NC(=O)CN(C)C(=O)c2cc(C)oc2C)c1 16177155 CNXFWYAESHOQEY-UHFFFAOYSA-N 316.357 2.616 0 40 DFAB Cc1ccccc1CNc1nc(C[C@H](C)n2cccn2)cc(=O)[nH]1 19237286 JDNXCTTXLDTRGZ-AWEZNQCLSA-N 323.400 2.691 0 40 DFAB CC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@@H]2CC23CCC3)n1 19452501 OTVMFJQISZZWCK-GXTWGEPZSA-N 315.417 2.747 0 40 DFAB COc1cc(-c2noc(C[C@@H](O)c3cccc(F)c3)n2)ccn1 158019563 CWCXIHGSPQBOOY-CYBMUJFWSA-N 315.304 2.555 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3nc(Cl)cnc32)cc1 575432127 HMDODBSSYDBRGX-UHFFFAOYSA-N 307.762 2.630 0 40 DFAB CCC(CC)NC(=O)COC(=O)CCC(=O)c1cccs1 5860056 IPOUANQPEJKMSP-UHFFFAOYSA-N 311.403 2.559 0 40 DFAB O=C(NCCOc1ccccc1)c1cncn1-c1ccccc1 9364315 QOTBELOHUUHTKS-UHFFFAOYSA-N 307.353 2.681 0 40 DFAB OC[C@@]12CCCC[C@H]1CN(c1ncnc3cc(F)ccc13)C2 1888866596 YPXNMNXBUQTIKX-SJCJKPOMSA-N 301.365 2.758 0 40 DFAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(F)cc1 22402450 WOMYGRXPUPDSSH-VIFPVBQESA-N 315.270 2.918 0 40 DFAB Cc1n[nH]c(=S)n(Cc2ccc(Cl)cc2Cl)c1=O 4717560 XUGDHISDQCQVLZ-UHFFFAOYSA-N 302.186 2.964 0 40 DFAB Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC[C@H]3CCC[C@@H]32)n1 96439315 RLSVRVMRULSGIV-IMJJTQAJSA-N 304.438 2.863 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C)CC1 20001151 PZVXUQZMTUDNLD-INIZCTEOSA-N 323.440 2.928 0 40 DFAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100123700 XAQLXKLZGXHFCF-IYBDPMFKSA-N 308.381 2.970 0 40 DFAB CC(C)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)n[nH]1 40553287 HEPWRULGANLGNT-UHFFFAOYSA-N 315.373 2.577 0 40 DFAB O=C(COC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 40549762 OEPUUSBMFAIPGR-UHFFFAOYSA-N 316.401 2.867 0 40 DFAB CCc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)cc1 101279248 CBDMMLUXXBUSJP-KPLDXPABSA-N 311.381 2.956 0 40 DFAB CN1C(=O)[C@H]2C=CC=C[C@@H]2N=C1SCc1ccccc1F 133983 OLTGAGXIVICGRJ-JSGCOSHPSA-N 302.374 2.998 0 40 DFAB C[C@]1(C(=O)Nc2ccccc2-n2cncn2)CC1(Cl)Cl 32796628 AJOHZTFESOFPMY-GFCCVEGCSA-N 311.172 2.790 0 40 DFAB O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1 1378761 PGIWUEIJAVXYGU-UHFFFAOYSA-N 313.338 2.829 0 40 DFAB COCC(=O)NCc1nc2ccccc2n1Cc1ccccc1C 1927061 UPMFRFZLFSCISB-UHFFFAOYSA-N 323.396 2.656 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451357 KELMSVORRQFRKS-YGRLFVJLSA-N 324.808 2.774 0 40 DFAB O=C(Nc1nn2c(-c3ccco3)nnc2s1)c1ccccc1 6818055 MDFHCGOSEVKGFJ-UHFFFAOYSA-N 311.326 2.698 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 7230437 YYWLBTVGFZYIFS-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CC1(C)NC(=O)N(CCSC/C=C/c2ccccc2)C1=O 46587110 HUJAEPSANBYRIH-RMKNXTFCSA-N 304.415 2.763 0 40 DFAB COc1ccc2cc(C(=O)N[C@H](C)Cn3ccnc3)c(C)nc2c1 52749793 RJNOVOFOPDPGGY-GFCCVEGCSA-N 324.384 2.567 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1cn(C)nc1C(C)(C)C 92238095 JYONQDALCULCMF-UHFFFAOYSA-N 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DFAB NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 72293702 SVZGKYIYSXNMGI-CABCVRRESA-N 314.772 2.725 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2noc(-c3ccccc3)n2)cn1 72255175 JJADURABWZZPMX-OAHLLOKOSA-N 309.373 2.807 0 40 DFAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C2CCCC2)[nH]n1 72288745 SXJOEXYUMYQZGI-AWEZNQCLSA-N 318.421 2.797 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 97143239 HLWBUJJHTQTLJP-NVXWUHKLSA-N 314.385 2.870 0 40 DFAB CCc1ccccc1NC(=O)C[C@@H](C)NCCc1cncn1C 97164427 NGMPHRPXPXPHMA-CQSZACIVSA-N 314.433 2.532 0 40 DFAB Cn1cc(C(=O)N2CCC(=Cc3ccccc3)CC2)ccc1=O 84314434 GSPSLAKFGKDGRQ-UHFFFAOYSA-N 308.381 2.705 0 40 DFAB CCc1oc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1C 95414611 WHWXTJPAKCVHBV-UHFFFAOYSA-N 322.386 2.774 0 40 DFAB O=C(Nc1ccc2ncc(Cl)n2c1)c1ccc2c(c1)OCO2 95464832 KDZCLAGLWWUGAJ-UHFFFAOYSA-N 315.716 2.969 0 40 DFAB C[C@@H](C(=O)Nc1cccnc1Cl)N(C)CCc1ccccn1 95409701 AMITWDCHUCWOPT-LBPRGKRZSA-N 318.808 2.632 0 40 DFAB Cc1oc(C)c(C(=O)N2CCN(c3cccc(O)c3)CC2)c1C 95429490 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CCN(C)Cc1cccc(CNC(=O)NCc2ccco2)c1 67718725 FXJOEVWWZALCBF-UHFFFAOYSA-N 301.390 2.731 0 40 DFAB Cn1cccc1CNc1nnc([C@H]2COc3ccccc3O2)o1 97375444 YFGJOBGCBAUACL-CQSZACIVSA-N 312.329 2.533 0 40 DFAB O=S(=O)(c1ccccc1F)N1CCC2(CC1)CC2(F)F 405063528 FZKNUKHBTLTOOG-UHFFFAOYSA-N 305.321 2.636 0 40 DFAB Cn1ncc2c1CCCN(C(=O)c1ccc3c(c1)CCCC3)C2 12671266 NQCYYXHQOJEXCS-UHFFFAOYSA-N 309.413 2.888 0 40 DFAB COc1cc(OC)cc(C(=O)NCCOc2cccc(C)c2)c1 18147394 FWLRTXSBOGQUOK-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB O=C(O)[C@H]1CN(c2cc(C3CC3)ncn2)CC12CCCCC2 575607565 IRPXWFLJGKJHRA-CYBMUJFWSA-N 301.390 2.825 0 40 DFAB Nc1nnc(SCC(=O)c2ccc3c(c2)CCCC3)s1 5636485 JBVMLBQUEORRLL-UHFFFAOYSA-N 305.428 2.974 0 40 DFAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Br)cc1 12939304 RZIJWFGRDRNYCG-VIFPVBQESA-N 321.174 2.628 0 40 DFAB Fc1ccccc1Nc1ncnc2c1ncn2C[C@@H]1CCCO1 1888906399 INJHBKFRRWRQEJ-NSHDSACASA-N 313.336 2.888 0 40 DFAB O=c1c2sccc2ncn1Cc1cc(Cl)c2c(c1)OCO2 25057718 DFNCEDNYDWMWFF-UHFFFAOYSA-N 320.757 2.888 0 40 DFAB Cc1cccnc1CN1CCCC[C@@]2(C)[C@@H]1CCC(=O)N2C 2037849845 ULXRNMZTOOHACD-WMZOPIPTSA-N 301.434 2.755 0 40 DFAB COc1ccc(CCC(=O)NC[C@H](CCSC)OC)cc1 1775968155 LACOOJLKBHDEQV-HNNXBMFYSA-N 311.447 2.512 0 40 DFAB CCSc1nc2[nH]c(-c3ccc(Cl)cc3)cc(=O)n2n1 101173539 SJGVYFXJRZNIMS-UHFFFAOYSA-N 306.778 2.850 0 40 DFAB O=C(NCc1cccs1)Nc1cc(C(F)(F)F)c[nH]c1=O 50038918 MTQVPOXKTULGDY-UHFFFAOYSA-N 317.292 2.777 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31177106 UTGNHLMDABULJW-MRXNPFEDSA-N 318.348 2.573 0 40 DFAB c1ccc(C(CNc2ccc3nnnn3n2)c2ccccc2)cc1 40480448 JXSWCNNLTJHYHP-UHFFFAOYSA-N 316.368 2.763 0 40 DFAB Cc1nnc2n1N1C(=CS[C@H]1c1ccc(C(=O)O)cc1)S2 20719147 NEISNUBSVBRRDU-NSHDSACASA-N 318.383 2.573 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc(F)c1 102167548 MAHAQRTYZATCSU-TYNCELHUSA-N 307.365 2.923 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1nc(C)c(C)s1)c1ccccc1 21359849 RWKOXVZFVKJLDD-CQSZACIVSA-N 317.414 2.966 0 40 DFAB CCOC(=O)c1sc2ncnc(Nc3cnn(C)c3)c2c1C 52487456 XPFLVOIFYKNUSH-UHFFFAOYSA-N 317.374 2.654 0 40 DFAB CCCc1nnc2sc(NC(=O)c3cccc(F)c3)nn12 6818136 QWUQESVXVVZCFV-UHFFFAOYSA-N 305.338 2.530 0 40 DFAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 6971662 PAJZICCSDNHSKD-UHFFFAOYSA-N 304.733 2.718 0 40 DFAB Cc1[nH]c2ccc(F)cc2c(=O)c1I 8626693 QIWXKRQQKMBPFL-UHFFFAOYSA-N 303.074 2.580 0 40 DFAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NN)c23)CO1 543703 XJCVWRUMXMIOJC-ZDUSSCGKSA-N 310.448 2.940 0 40 DFAB CC(C)(C)OC(=O)NC1(C(=O)O)C[C@H]2[C@H](C1)C2(Cl)Cl 100140438 SLPFOCNLECXFIJ-BQBZGAKWSA-N 310.177 2.548 0 40 DFAB COc1ccc([C@@H](O)CNc2nccc(C(F)(F)F)n2)cc1 42100275 VDZIPJORCWLQMU-NSHDSACASA-N 313.279 2.650 0 40 DFAB CCc1noc([C@H](C)N2CCN(c3ccccc3OC)CC2)n1 42651707 PNPIPHZAKIWGKA-ZDUSSCGKSA-N 316.405 2.524 0 40 DFAB O=S1(=O)CCN=C2SC=C(c3cccc4ccccc34)N21 1016327 NDORVKGBPKIPSL-UHFFFAOYSA-N 316.407 2.886 0 40 DFAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccccc1 23991201 UVYBJFQALREDRW-AWEZNQCLSA-N 300.406 2.923 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)c1nccc(C(F)(F)F)n1 24054462 MLVKUCOETGAZLK-UHFFFAOYSA-N 311.263 2.861 0 40 DFAB C[C@@H](Nc1ccc(Cl)cn1)c1ccc(OCC(N)=O)cc1 97009772 CAHSOPZMLCJFOM-SNVBAGLBSA-N 305.765 2.772 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(O)c2)N3)C1 1252403 LLOVQYPLIQVARR-AWEZNQCLSA-N 315.398 2.871 0 40 DFAB COC(=O)CCCN(C)C(=O)c1ccc(OC(F)(F)F)cc1 55438907 CZQGYADAFNMZSJ-UHFFFAOYSA-N 319.279 2.610 0 40 DFAB O[C@H](COCc1cccs1)Cn1cnc2cc(F)c(F)cc21 25256536 AZDGTAMYAHFOAN-JTQLQIEISA-N 324.352 2.954 0 40 DFAB C[C@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C[C@H](C)O1 12534389 GGXVJPMITRWPQG-RYUDHWBXSA-N 317.414 2.784 0 40 DFAB COc1ccc(CNCc2c[nH]nc2-c2cccs2)cn1 35256606 OIDLPWHWSZTPST-UHFFFAOYSA-N 300.387 2.832 0 40 DFAB COc1ccc(C2(C(=O)NC[C@H]3CCCO3)CCCC2)cc1 69970786 XYVAWCLEUDLLIH-MRXNPFEDSA-N 303.402 2.802 0 40 DFAB COc1ccc(/C=C/C(=O)NCCC(C)C)c(OC)c1OC 10127833 FAPRCJAFEKZYJN-VQHVLOKHSA-N 307.390 2.888 0 40 DFAB Cc1c(C(=O)N2CCCCC2)cnc2nc(-c3ccccc3)nn12 10382308 KEDSGHRNPJBWOU-UHFFFAOYSA-N 321.384 2.726 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2c2nn3cc(C)nc3s2)c1 72276488 UFMOETVYPQIULX-CYBMUJFWSA-N 316.434 2.663 0 40 DFAB CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 44918160 ISJDEIQJMCUPEP-UHFFFAOYSA-N 312.295 2.769 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cn1 58342828 UXRRGGKAKWAZKZ-CQSZACIVSA-N 300.362 2.798 0 40 DFAB O=C(Nc1ccn(CC(F)F)n1)N1CCc2cc(F)ccc2C1 92070739 DCAXEISMAPPMGC-UHFFFAOYSA-N 324.306 2.878 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](C)N(C)c1ccccc1 48250350 VGYFEFUNCCECFY-ZDUSSCGKSA-N 314.389 2.737 0 40 DFAB O=C(COc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1 3304357 JFBYZDZZFCLARZ-SNVBAGLBSA-N 304.173 2.667 0 40 DFAB CNC(=S)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 3336500 FZCNUJIXGRSERS-UHFFFAOYSA-N 315.398 2.864 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)Cn2ccc3ccccc32)cn1 69893851 QVBVUWGTFKJNPE-QGZVFWFLSA-N 308.385 2.739 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccs1 45725287 BBQREJUMKXCVEJ-JTQLQIEISA-N 303.387 2.659 0 40 DFAB Cn1c(=O)oc2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)ccc21 62220660 ONEYFEYZMHYRKJ-KBPBESRZSA-N 308.337 2.874 0 40 DFAB Cc1nc(-c2cccs2)sc1C(=O)NCc1cn[nH]c1 37983274 ZZPYHGMCZHAPHV-UHFFFAOYSA-N 304.400 2.833 0 40 DFAB Cc1nc(SCC(=O)Nc2cccnc2)nc2c1CCCC2 409271692 LEWKBRZAUZHUMV-UHFFFAOYSA-N 314.414 2.790 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(noc2C)C[C@@]1(C)O 13142912 DWXONTTXPOFYOP-GVDBMIGSSA-N 303.333 2.766 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 8849158 AFZTTZDDMZHHQZ-YUMQZZPRSA-N 312.163 2.815 0 40 DFAB C[C@H]1CCCCN1C(=O)COC(=O)Cc1c[nH]c2ccccc12 6384026 QFBOKLIKDGITMD-ZDUSSCGKSA-N 314.385 2.655 0 40 DFAB CN(Cc1nc(O)c2cnn(C)c2n1)C1CCCCCCC1 65576318 ZHHJGUVUKQJXCX-UHFFFAOYSA-N 303.410 2.614 0 40 DFAB Cc1ccc(CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)c(C)c1 14121739 SLWMTWFWGIDAFP-UHFFFAOYSA-N 321.380 2.812 0 40 DFAB COC(=O)c1sc2nc(C)nc(NC[C@H]3CCCO3)c2c1C 14197142 YTANYZFWIDLXQN-SNVBAGLBSA-N 321.402 2.686 0 40 DFAB CC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2C)c1C 4666957 QAUNEZZGAMUDPO-UHFFFAOYSA-N 306.387 2.556 0 40 DFAB CCC(CC)c1nnc(NC(=O)CN2CCSC2=O)s1 14671134 VKPPNVVJOMIJCT-UHFFFAOYSA-N 314.436 2.549 0 40 DFAB COc1cc(OC)cc(-c2nc3c4ccccc4ncn3n2)c1 6760501 XNAXCHCDLLACOC-UHFFFAOYSA-N 306.325 2.962 0 40 DFAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(F)c(F)c1F 4804864 NOWJNZRMAWNECB-ZETCQYMHSA-N 315.320 2.957 0 40 DFAB Cc1occc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C 71890139 NOXFWLTTZRKXQD-LLVKDONJSA-N 308.378 2.669 0 40 DFAB CNc1cc2c(nn1)CCN(C(=O)[C@@H]1CCCc3ccccc31)C2 71860145 RGNGSXAOPZHEEG-MRXNPFEDSA-N 322.412 2.523 0 40 DFAB Nc1ccc2c(NC[C@@H]3CCO[C@@H]3c3ccccc3)ncnc2n1 90095269 LTVBXUZDLHZCQE-XJKSGUPXSA-N 321.384 2.797 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccccc3O)c(=N)oc12 67350777 CISJEQKBBBNFMQ-UHFFFAOYSA-N 310.309 2.879 0 40 DFAB CC(C)(C)c1nnnn1CC(=O)Nc1cccc2ccccc12 67647927 CWQMSVYGVOCEFD-UHFFFAOYSA-N 309.373 2.763 0 40 DFAB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 7603882 KRTQNIBOWGNBOM-SSDOTTSWSA-N 316.308 2.943 0 40 DFAB COCCNC(=O)c1ccc(Cl)c(NCc2cc(C)on2)c1 71896923 LOINPWPHRRQISJ-UHFFFAOYSA-N 323.780 2.625 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)c1 71866112 VVZGNGKFAMSBHL-JYJNAYRXSA-N 313.401 2.969 0 40 DFAB CN(C(=O)C1CCC1)C1CCN(c2ncnc3ccccc23)CC1 69437611 ACWMFABFVUGGRZ-UHFFFAOYSA-N 324.428 2.857 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9613650 BZBMRIFKMBBGOO-YPMHNXCESA-N 307.825 2.686 0 40 DFAB COc1ccc([C@H]2CCN(CCOC[C@@H]3CCCO3)C2)cc1 72294849 FBHTZAZWOPNWEA-WMZOPIPTSA-N 305.418 2.680 0 40 DFAB COc1c([C@@H]2CCCN2Cc2nnc(C(C)C)o2)c(C)nn1C 72253809 XMGZCVFIRAJXHX-LBPRGKRZSA-N 319.409 2.581 0 40 DFAB Cc1nnc(SCc2ccccc2OCC(F)(F)F)n1N 72302552 WTBUZBDJOOUNMS-UHFFFAOYSA-N 318.324 2.534 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Cl)c3n2)CN1 97235923 DHVMCICHUSRMPC-SSDOTTSWSA-N 324.167 2.616 0 40 DFAB O=C(NCCc1ccncc1)Nc1ccc(N2CCCC2=O)cc1 84414411 NZCHSNAAAXOKAT-UHFFFAOYSA-N 324.384 2.573 0 40 DFAB O=C(C[C@H]1CC2(CCNCC2)Oc2ccccc21)N1CCCC1 306139756 TZTIMWWNKMTVCK-HNNXBMFYSA-N 314.429 2.687 0 40 DFAB Cc1ccc([C@H](NC(=O)N(C)C[C@@H](O)C2CC2)C2CC2)cc1 95411074 LRTTZLMQBXVXDT-SJORKVTESA-N 302.418 2.858 0 40 DFAB CC(C)c1cc(NS(=O)(=O)Cc2ccc(F)cc2F)[nH]n1 95452968 KPTGUQGVMAINGD-UHFFFAOYSA-N 315.345 2.753 0 40 DFAB CCNC(=O)COc1ccc(CNc2ccc3[nH]ncc3c2)cc1 95431135 JIFKGGATYHGVBF-UHFFFAOYSA-N 324.384 2.690 0 40 DFAB O=C(Nc1cccc2c1C(=O)NC2)c1ncccc1C(F)(F)F 95988293 APFDISPCFHUKBO-UHFFFAOYSA-N 321.258 2.596 0 40 DFAB CC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 95994626 ACZXCCVHVMENGE-UHFFFAOYSA-N 304.316 2.657 0 40 DFAB C[C@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)Cc1cccs1 74626843 YEWJXCMZLHDZAY-GJZGRUSLSA-N 323.506 2.910 0 40 DFAB Cc1cn2nc(N[C@@H]3CCN(C)[C@@H]3c3ccccc3)sc2n1 89702182 FQMLNVSTJRJGKF-ZIAGYGMSSA-N 313.430 2.957 0 40 DFAB CC[C@@H](CCO)CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C 89943271 QHTHGQGDZFLEDF-LSDHHAIUSA-N 316.486 2.924 0 40 DFAB C[C@@H](C(=O)Nc1cccnc1)n1nc(-c2ccccc2)ccc1=O 38670914 KTIIJFCFERDAKI-ZDUSSCGKSA-N 320.352 2.505 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)ccc1N1CCCC1 77673035 IZPCARBHWXEGOG-UONOGXRCSA-N 305.422 2.734 0 40 DFAB NC(=S)c1cccc(C(=O)NCCCOC2CCCCC2)c1 32932542 WJTVGDNFEQZNBL-UHFFFAOYSA-N 320.458 2.790 0 40 DFAB Nc1ccc(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 32186859 BTKDLKHPWNVGNO-OAHLLOKOSA-N 301.434 2.888 0 40 DFAB COc1ccc(CCC(=O)Nc2nnc(SC)s2)cc1 41018914 BCDWXEVPTFSFPX-UHFFFAOYSA-N 309.416 2.840 0 40 DFAB Cc1csc(CN2CCOC[C@H]2CC(=O)c2ccccc2)n1 134189345 WVGVTYALZUBLAZ-OAHLLOKOSA-N 316.426 2.925 0 40 DFAB O=C(NCc1cccnc1)C(=O)Nc1cc(Cl)cc(Cl)c1 48591946 CJOBVMVJHAONCG-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB CCCCN1C(=O)/C(=C\c2csc([N+](=O)[O-])c2)N=C1S 48639472 KZJPXLCJLNEZLE-WEVVVXLNSA-N 311.388 2.925 0 40 DFAB COCCCSc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 195542417 HOAZTMGQAKEIFB-HNNXBMFYSA-N 308.447 2.896 0 40 DFAB CN(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 225826754 VGRYRQOIQULCLW-UHFFFAOYSA-N 322.792 2.821 0 40 DFAB O=C(NCCc1cnccn1)N1CC2(CCC2)[C@@H]1c1ccccc1 576214424 SRRGFDYAZCIDHD-KRWDZBQOSA-N 322.412 2.956 0 40 DFAB CCc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2C)cc1 192677554 ZUIJRBZIDMIFIK-UHFFFAOYSA-N 314.360 2.951 0 40 DFAB C[C@@H](C[S@@](C)=O)NC(=O)Nc1cc(-c2ccccc2)ns1 97372467 IZRWWCFZQWWTHD-CWKPULSASA-N 323.443 2.699 0 40 DFAB Cc1ncsc1C(=O)OC[C@@H]1CC(=O)N(c2ccccc2)C1 96442353 JQFDYZHOCWVGTI-GFCCVEGCSA-N 316.382 2.661 0 40 DFAB O=C(Nc1ccn(CC(F)F)n1)c1cccc(-n2cccn2)c1 96451794 QFDXEEHBYFEJJY-UHFFFAOYSA-N 317.299 2.586 0 40 DFAB CN(C)C(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96157600 BFLZESAFLKMQOX-UHFFFAOYSA-N 319.424 2.795 0 40 DFAB C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Br)c(F)c1 96435440 YAFFAPPYEVUKIP-HTQZYQBOSA-N 319.174 2.727 0 40 DFAB CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 96413959 XHCIKJMJOQMBAX-SOLBZPMBSA-N 318.461 2.923 0 40 DFAB CCc1nnc(NC(=O)N[C@@H]2CCC[C@H](SC)C2)s1 96409699 PYTBVLXLQLMTRR-BDAKNGLRSA-N 300.453 2.896 0 40 DFAB CO[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1Cc1ccccc1 96200386 VWJYRENCSIHUER-IRXDYDNUSA-N 314.360 2.693 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1cccc(F)c1F 96423562 ZDSVQLSPVAZQGX-GJZGRUSLSA-N 320.383 2.811 0 40 DFAB CCO[C@@H](C)C(=O)NC1(c2cccc(Br)c2)CC1 96418896 JQHVLDGJURFJGN-JTQLQIEISA-N 312.207 2.979 0 40 DFAB C[C@H](CCc1cccc(F)c1)NC(=O)N(C)C[C@H]1CCOC1 95408191 OXPDZTIRHPZYFX-UKRRQHHQSA-N 308.397 2.825 0 40 DFAB Cn1ccnc1-c1cnc(C[C@H]2CCN(C3CCCC3)C2)cn1 257254190 KCCUKFRMYDIXPR-CQSZACIVSA-N 311.433 2.684 0 40 DFAB CCn1nc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)cc1C 257269469 MQBMTDBALCTCHT-CYBMUJFWSA-N 318.446 2.996 0 40 DFAB COCCSCc1cccc(NC(=O)CC2CCNCC2)c1 252487605 HYGGIKAYWJXCGR-UHFFFAOYSA-N 322.474 2.894 0 40 DFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCC(C)CC2)n1 256046422 FUECEVGOUWXUFP-UHFFFAOYSA-N 314.389 2.764 0 40 DFAB O=C(NCc1ccnnc1)c1cncc(Cc2cccc(F)c2)c1 257235299 GXFUJWYCTJHUQL-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB O=C(NCc1ccnnc1)c1cncc(Cc2ccccc2F)c1 257306054 SSSCFGNRWUDPIX-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB Cc1cc(S(=O)(=O)NCc2ccc(Cl)nc2)ccc1F 69701767 QRBULBLQKFKGEH-UHFFFAOYSA-N 314.769 2.661 0 40 DFAB COC(=O)c1cc(F)c(C)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 70036371 DOLRUJNNDXJHFS-NXEZZACHSA-N 324.352 2.562 0 40 DFAB C[C@H](Cc1nc(-c2cnnn2C)cs1)n1cc(Cl)cn1 515442373 PGSUEXWOCSYVSR-MRVPVSSYSA-N 308.798 2.592 0 40 DFAB CN(CCn1cccn1)c1nnc(Cc2ccc(F)cc2)s1 97109364 UZBREROXCBFABD-UHFFFAOYSA-N 317.393 2.601 0 40 DFAB CCOc1ccccc1OCC(=O)NCc1ccc(F)cc1 5341630 LPHBMONRJTUNSI-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB CCC(=O)N1CCc2cc([C@H](O)CN3CCCCC3)ccc21 12181085 ANYNMCFADBCVBJ-QGZVFWFLSA-N 302.418 2.505 0 40 DFAB O=C(Cc1ccccc1)NCc1n[nH]c(=S)n1-c1ccccc1 13571943 HISHUOPFSDCURW-UHFFFAOYSA-N 324.409 2.789 0 40 DFAB C[C@@H]1CC(=O)c2cnc(NC(=O)NC3CCCCC3)nc2C1 13636108 IZCKWLAKPZMEGS-JTQLQIEISA-N 302.378 2.696 0 40 DFAB COc1ccc(-c2csc(NC(=S)NC(C)=O)n2)cc1 14257522 MGRHUQCLXXJCIT-UHFFFAOYSA-N 307.400 2.652 0 40 DFAB Cc1nc(O)c2c(n1)CN(Cc1ccc3ccccc3n1)CC2 19576621 UOYYXFKLOKHYNF-UHFFFAOYSA-N 306.369 2.597 0 40 DFAB CCOC(=O)c1cc(Br)cc(N)c1Br 164503842 ISAMQIUUAQQGQL-UHFFFAOYSA-N 322.984 2.971 0 40 DFAB Cc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1 4583402 ABAJSRSDEOJXGT-UHFFFAOYSA-N 301.415 2.663 0 40 DFAB COCCN1CCC[C@H]1c1nccnc1-c1scnc1C 2037769666 IBVMZLOGMKTIJI-LBPRGKRZSA-N 304.419 2.692 0 40 DFAB Cc1cccc(C2(CNc3nc[nH]c4ncnc3-4)CCOCC2)c1 2037843534 FFRLPLAHWSLSLW-UHFFFAOYSA-N 323.400 2.773 0 40 DFAB C[C@H](OC(=O)Cc1cccc(C(=O)c2cccs2)c1)C(=O)O 2061000571 DPLSCHIXNVELJT-JTQLQIEISA-N 318.350 2.538 0 40 DFAB OC[C@H]1CCCN(c2ncnc3ccc(Br)cc23)C1 301124165 UOSBLAVNFGCLNW-JTQLQIEISA-N 322.206 2.601 0 40 DFAB CCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 13568898 WLSPQVFDFCPZIK-UHFFFAOYSA-N 322.368 2.693 0 40 DFAB CC(C)CO[C@@H](C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 40091972 QIINBYRKBZOKTG-BBRMVZONSA-N 310.413 2.606 0 40 DFAB Cc1c(C(=O)N(C)[C@H](C)CC(C)C)sc2ncn(C)c(=O)c12 31410469 WBQWXYKJNXOBSO-SNVBAGLBSA-N 321.446 2.810 0 40 DFAB CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2O)c1C 177513 SUIWEISJHYLRJM-UHFFFAOYSA-N 314.341 2.600 0 40 DFAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCc2sccc2C1 40487668 ZNNABAMAFIDYHK-GFCCVEGCSA-N 318.446 2.911 0 40 DFAB Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)on1 40541516 UYDFCGNJKBUNBT-UHFFFAOYSA-N 314.389 2.544 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100951116 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Cc1ccnc2c(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)cccc12 101847874 OMDOANCHDHLPKH-MPTQWLOMSA-N 304.349 2.855 0 40 DFAB CCC(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(-c4ccco4)nn3c1C2 100143122 IXXPMFFYAKPKEY-BXUZGUMPSA-N 322.368 2.988 0 40 DFAB O=C1[C@H](Nc2cccc(CO)c2)CCN1c1ccccc1F 78671065 WOBGUEOHTVHUPN-OAHLLOKOSA-N 300.333 2.535 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 52745980 JKQTUEUQIXRRIJ-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)CO 57774320 GZGPMHJZGOOYRP-VIFPVBQESA-N 301.184 2.568 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C 3228524 AIZOKUJYZRTQTE-WCBMZHEXSA-N 311.765 2.795 0 40 DFAB O=C(NC[C@@H]1COC2(CCCC2)O1)c1c(F)cccc1Cl 10220487 OAEHQBPCWVNHDE-SNVBAGLBSA-N 313.756 2.895 0 40 DFAB CCCNC(=O)C[S@](=O)Cc1ccc(Cl)cc1Cl 58132381 HMXKSXFJMMZGQT-SFHVURJKSA-N 308.230 2.768 0 40 DFAB CCCC(=O)OCC(=O)Nc1cccc(Br)c1 3234239 RHQCWWUKFBDMOQ-UHFFFAOYSA-N 300.152 2.731 0 40 DFAB CC1CCC(C)(NC(=O)c2cccc(S(C)(=O)=O)c2)CC1 58215352 MDRHCFBEBYBWRK-UHFFFAOYSA-N 309.431 2.789 0 40 DFAB C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccccn1 44909879 DEMPWUYPKXUFGE-IUODEOHRSA-N 318.446 2.806 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cc1ccco1)c1cccs1 44913026 FSRCYJJZBAIEFS-FZMZJTMJSA-N 320.414 2.656 0 40 DFAB Cc1cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)on1 44907462 GAOBNAZDYBQMGA-LBPRGKRZSA-N 308.403 2.580 0 40 DFAB COC(=O)c1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)oc1C 58323892 MXFKSOITPQGTES-CYBMUJFWSA-N 320.732 2.882 0 40 DFAB c1ccc2c(c1)SCC[C@H]2NC[C@H]1CNc2ccnn2C1 58356053 HGIFFDRONCECBY-GXTWGEPZSA-N 300.431 2.752 0 40 DFAB CCN1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 22585844 SAGRNZKERZGNKF-UHFFFAOYSA-N 323.440 2.930 0 40 DFAB Cc1nc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)cs1 58492956 HRYWRRJDCJTCLN-BQYQJAHWSA-N 324.409 2.967 0 40 DFAB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)NCc1cccs1 28343460 DVRFGUHAEXORAI-LLVKDONJSA-N 302.399 2.800 0 40 DFAB O=C(NCCC1=CCCCC1)Nc1ccc(-n2cncn2)nc1 48134042 SGTMULZRRIZLNN-UHFFFAOYSA-N 312.377 2.674 0 40 DFAB CCc1[nH]ncc1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 69947368 VLSZDYLHEFXNHN-CYBMUJFWSA-N 315.421 2.769 0 40 DFAB C[C@@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)C1CC1 69509454 BDYVSRVNLOSRKV-JQWIXIFHSA-N 308.451 2.620 0 40 DFAB CC1(C)C[C@@H](NCc2nnc(C3CC3)n2C2CC2)C(C)(C)O1 119935150 OAUWTWBBFKYZFK-CYBMUJFWSA-N 304.438 2.926 0 40 DFAB COc1ccccc1-c1csc(CCN2CCOC2=O)n1 48366280 OLSHOWPQLWXWJO-UHFFFAOYSA-N 304.371 2.813 0 40 DFAB O=C1[C@@H]2CCCCN2C(=O)N1CC1(c2ccccc2F)CC1 97045896 DKRJEMQPTSPJHS-AWEZNQCLSA-N 302.349 2.674 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cc(F)cc(F)c2)n1 48354652 WTBLTANWPSAYJS-SNVBAGLBSA-N 307.344 2.844 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 3400263 ACEQJZVZEUMOQG-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC[C@H]1Cn1cccn1 69774098 SGJUETMUDSVAJW-KRWDZBQOSA-N 320.396 2.665 0 40 DFAB O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1cnccn1 63841418 CMTGBLGZYPCERZ-UHFFFAOYSA-N 320.352 2.508 0 40 DFAB COc1ccc2c(ccn2CCC(=O)NCc2ccccn2)c1 13692841 NOAWWCIEURAYQL-UHFFFAOYSA-N 309.369 2.751 0 40 DFAB CCC(C)(C)NC(=O)Cn1nc(C)nc1-c1ccccc1C 65610417 GRLRPWJTQUDMPS-UHFFFAOYSA-N 300.406 2.867 0 40 DFAB CCCCCC[C@H](C)NC(=O)CCC(=O)NC[C@@H]1CCCO1 6592035 CRPAABVWWCQXAW-GJZGRUSLSA-N 312.454 2.537 0 40 DFAB CCC[C@H](C)[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 92923140 RJAXDGJZRFKRKA-STQMWFEESA-N 300.410 2.650 0 40 DFAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCCc2ccccc21 7587848 NYPPWMZXDOYFOE-CYBMUJFWSA-N 323.396 2.565 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NCc2cccc(N(C)C)n2)c1 90851555 REJNRQAJCQVXMN-CYBMUJFWSA-N 312.417 2.957 0 40 DFAB Cc1cnn(-c2ccc(C(=O)N3C[C@H](C)OCC3(C)C)cc2)c1 91116869 LUWDCIQAFRUMKR-AWEZNQCLSA-N 313.401 2.820 0 40 DFAB CCc1nc(CC(=O)N[C@H](CC(=O)O)c2ccccc2)cs1 72273060 ZRPPWMDUEJTOPB-CYBMUJFWSA-N 318.398 2.580 0 40 DFAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)C1CC1 188334405 ZXAGFHBVYUDZKX-YGRLFVJLSA-N 315.822 2.594 0 40 DFAB CS(=O)(=O)c1ccccc1SCc1noc(C2CC2)n1 96410917 ZMBXTAOPXIAZPA-UHFFFAOYSA-N 310.400 2.643 0 40 DFAB COCc1cc(=O)c2c(C)nn(-c3cccc(Cl)c3)c2[nH]1 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O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCSCC1 98014603 WFSAFNMXPWABRK-GJZGRUSLSA-N 306.431 2.523 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CN(C)C(C)C)cc1 98014078 JJLPXUDJAHWSGJ-HKUYNNGSSA-N 318.461 2.919 0 40 DFAB CC[C@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccc(F)cc1F 95985291 IAZGMLOCTBNIMU-AWEZNQCLSA-N 322.359 2.984 0 40 DFAB CN(CCC(=O)Nc1cccc(F)c1)C[C@H]1CCCC[C@@H]1O 95994295 FFQDEESKYHNDOK-CJNGLKHVSA-N 308.397 2.637 0 40 DFAB Cc1cc(=O)c(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)c[nH]1 89568435 BRHCAGJSOLOTJE-ZDUSSCGKSA-N 311.385 2.559 0 40 DFAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)nc1 75127634 NQGVQZAMSHCRIY-GFCCVEGCSA-N 302.717 2.975 0 40 DFAB CCO[C@@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)C1(C)C 89985622 CUBXDAAMLDPSMK-IAGOWNOFSA-N 314.433 2.620 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)c2n[nH]cc2Cl)c1 28230257 BSYHHMZJPLYCMV-QMMMGPOBSA-N 309.753 2.571 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ncn2)CC1 38579830 XLZGMUJBIFJFDO-UHFFFAOYSA-N 312.801 2.941 0 40 DFAB Cc1nc(-c2ccc(Oc3ncnc4c3CN(C)CC4)cc2)no1 65474231 NNEJHTAIJJJPRJ-UHFFFAOYSA-N 323.356 2.615 0 40 DFAB COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(C)ccn3)C2)cc1 36611879 BEKCUKUJHYUABH-OAHLLOKOSA-N 311.341 2.530 0 40 DFAB Cc1cncc(CN2CC[C@H](NC(=O)c3ccc(F)cc3)C2)c1 1009901891 AVVGYBJMRYCVPY-KRWDZBQOSA-N 313.376 2.533 0 40 DFAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)C(C)(C)C)[C@@]2(O)C(F)(F)F 409176520 PYTHXMVZNBSUAX-ZDMBXUJBSA-N 306.328 2.918 0 40 DFAB CC(C)N1CCC[C@H]1c1nc(-c2ccc(N(C)C)nc2)no1 35426287 CGOWWKVHWFNYPK-ZDUSSCGKSA-N 301.394 2.743 0 40 DFAB biogenic,in-vitro O=C(NCc1c(F)cc(Br)cc1F)[C@@H]1CCCO1 186566334 LETBTPHTQVKLFP-NSHDSACASA-N 320.133 2.523 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123398855 IGDPHSMKMOOQGM-XKYJBRGQSA-N 308.462 2.722 0 40 DFAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN(C)C)cc2)C1 30946689 ZFKLZPWDISNZDG-INIZCTEOSA-N 317.477 2.600 0 40 DFAB CCC1CCC(NC(=O)C(=O)Nc2ccccc2OC)CC1 73743323 DIOQFNFXXIRDJO-UHFFFAOYSA-N 304.390 2.719 0 40 DFAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2 61720442 XUXPVJJCSUHROC-VIFPVBQESA-N 319.386 2.676 0 40 DFAB C[C@H](C(=O)N1CCCC1)N1CCC(Nc2ccccc2F)CC1 72688361 AMPNYIJJPYEIHS-CQSZACIVSA-N 319.424 2.713 0 40 DFAB Cc1csc(Nc2cccc([C@H]3CCCN3CCO)n2)n1 72380437 VLTSJDWUUGVGHU-CYBMUJFWSA-N 304.419 2.719 0 40 DFAB CCNC(=O)COc1ccc(CNC2CCCCC2)cc1OC 60806240 SKLKFJOXSACVLQ-UHFFFAOYSA-N 320.433 2.632 0 40 DFAB Cc1nscc1C(=O)Nc1nc(-c2cccs2)nn1C 193212716 JJAYUZUZUCKIOI-UHFFFAOYSA-N 305.388 2.561 0 40 DFAB CC(C)OCCCNC(=O)COc1cccc2c1CCCC2 225083659 USOBDLWGJBSZED-UHFFFAOYSA-N 305.418 2.876 0 40 DFAB Cc1cccc(NC(=O)c2cccnc2O[C@@H]2CCSC2)n1 225727131 RRQBKYIEXVAOGB-GFCCVEGCSA-N 315.398 2.922 0 40 DFAB COc1c(C(=O)NC[C@H](C)Sc2ccccc2)c(C)nn1C 81110587 OGTSJBXXMGWBKW-NSHDSACASA-N 319.430 2.648 0 40 DFAB COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@@]1(C)CO 97379151 CWZINONUZYXNAZ-ZBFHGGJFSA-N 311.809 2.558 0 40 DFAB CCOCc1c(C2CC2)c2cc3c(cc2[nH]c1=O)OCCO3 98086835 FIZDFQOKWDPHIZ-UHFFFAOYSA-N 301.342 2.713 0 40 DFAB COC(=O)N1CCC(NC(=O)/C=C(\C)c2cccc(F)c2)CC1 96405442 OQVMHSWKRAMRPA-ZRDIBKRKSA-N 320.364 2.576 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)CO1 96105803 ISAYUHQRQKHYFZ-CQSZACIVSA-N 311.372 2.982 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 96405884 VYNMFPBDZYVWJA-HZPDHXFCSA-N 320.383 2.811 0 40 DFAB O=C(c1ccoc1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039817 SZWOHEMPYIMQPC-FUHWJXTLSA-N 319.401 2.718 0 40 DFAB CC1(C)CCC[C@@](O)(CNC(=O)c2cccc3oc(O)nc23)C1 579610689 ITJZMJBXGRFEIM-KRWDZBQOSA-N 318.373 2.595 0 40 DFAB O=C1CN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CCN1 95949569 NOOYJVUPPFBLGS-UHFFFAOYSA-N 305.381 2.767 0 40 DFAB CCc1ccc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)o1 96184430 OSSNILQLMHTDAO-RBUKOAKNSA-N 318.461 2.917 0 40 DFAB Cc1ccc(NC(=O)C[C@@H](C)NCc2cnn(C)c2C)c(C)c1 90888140 UJRXCDZMILUJPD-CQSZACIVSA-N 314.433 2.852 0 40 DFAB c1ccc(OC[C@@H]2C[C@@H]3OCCN(Cc4ccco4)[C@H]3C2)nc1 247884814 CZJZKUGXZYIEOE-XIRDDKMYSA-N 314.385 2.733 0 40 DFAB C[C@@H](Cc1ccoc1)NC(=O)c1cncc(Br)c1 84831813 GLFOBKHTXLXGSK-VIFPVBQESA-N 309.163 2.798 0 40 DFAB c1cncc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCNC2)c1 257209888 BSHFQZVUBTZAKB-OAHLLOKOSA-N 309.417 2.606 0 40 DFAB c1nc(CN2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c[nH]1 257326097 WVUPRUNEOUUFSQ-OAHLLOKOSA-N 311.385 2.847 0 40 DFAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)[nH]n1 257282136 OSLFXNNNNAJRIM-ZDUSSCGKSA-N 301.394 2.798 0 40 DFAB Cc1cncc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257268960 MNYURCPHJKEVDB-CYBMUJFWSA-N 301.415 2.795 0 40 DFAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCCCCC1 253403855 QNXOZNGZSYPTJC-LBPRGKRZSA-N 315.373 2.806 0 40 DFAB biogenic,in-vitro CO[C@]1(CNC(=O)/C=C/c2ccccc2Cl)CCSC1 96097597 XHSFWCGVCCLJFS-LFAOLKIESA-N 311.834 2.992 0 40 DFAB Cc1ccc(OC[C@]2(O)COCCN(C3CCCCC3)C2)cc1 585277310 UFNYRJVONANVFI-LJQANCHMSA-N 319.445 2.770 0 40 DFAB O=C(COC1CCCCC1)NCc1noc(-c2ccccc2)n1 58393921 HFLSEFIVBPOLPQ-UHFFFAOYSA-N 315.373 2.702 0 40 DFAB CN1CCN(Cc2nnc(-c3ccco3)o2)Cc2ccccc21 69090557 NVJRZNBQUQTRAI-UHFFFAOYSA-N 310.357 2.782 0 40 DFAB COc1cccc([C@H](O)CNC(=O)c2c(F)cccc2Cl)c1 74559229 FLBXJTWHPDXSLD-CQSZACIVSA-N 323.751 2.951 0 40 DFAB CC[C@H]1CCCCN1C(=O)NCC1CCC2(CC1)OCCO2 192623795 LGMSJAOYBRMCLE-HNNXBMFYSA-N 310.438 2.894 0 40 DFAB COC(=O)c1cc(Br)cc(O)c1Br 1083805627 CLMRRPWCPHTOFM-UHFFFAOYSA-N 309.941 2.704 0 40 DFAB O=C([C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 18209818 NJNFWBMXZALZDN-WNKDZCFJSA-N 318.461 2.674 0 40 DFAB CO[C@@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1ccccc1F 643914338 PAVAMQBEECGERW-SJLPKXTDSA-N 317.408 2.639 0 40 DFAB COc1ccccc1-c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)no1 27908087 PCXKCKTYZKRLDL-SMDDNHRTSA-N 316.357 2.648 0 40 DFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(C3CCCCC3)CC2)C1 2037835050 UEDVOJUFRKLJEG-QGZVFWFLSA-N 308.466 2.811 0 40 DFAB C[C@H]1Oc2ccccc2CCCCC2(CCNCC2)CNC1=O 2037884901 HCMMPRFOWBSVOW-OAHLLOKOSA-N 316.445 2.666 0 40 DFAB Cc1nc(CN2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)co1 2086934237 RMRRSCHHQFQJTP-LBPRGKRZSA-N 321.371 2.968 0 40 DFAB CC1CCC(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@@H]3C2)CC1 1565552297 YPNKTJDJLBEJEU-OKEQZYBDSA-N 318.461 2.530 0 40 DFAB CCn1nnc2c(Nc3cccc(Br)c3)ncnc21 5250547 FENAPUIFRRFLLB-UHFFFAOYSA-N 319.166 2.747 0 40 DFAB O=C(NC[C@H]1CCCO1)N(Cc1ccccn1)Cc1ccco1 225552179 VSEPCZFQAQIUOI-OAHLLOKOSA-N 315.373 2.565 0 40 DFAB CC(C)c1nnc(N2CCC[C@H](COc3cnccn3)C2)s1 2298187272 BYXFGSHLWDGKRG-LBPRGKRZSA-N 319.434 2.747 0 40 DFAB CC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 8132554 RWXZKNVHTWHKON-MRVPVSSYSA-N 322.224 2.535 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1 23107779 DKQFZASUWMJNDT-AWEZNQCLSA-N 324.471 2.638 0 40 DFAB C[C@H]1CCCN(CCCNS(=O)(=O)/C=C/c2ccccc2)C1 40105105 FJLZHPRBQROERR-DKGMDFAASA-N 322.474 2.699 0 40 DFAB COC[C@@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 20100401 SUUDIAZVFGCMSM-CYBMUJFWSA-N 324.852 2.703 0 40 DFAB CN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 20220100 OXINAKRRAGXPJK-UHFFFAOYSA-N 310.397 2.506 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCO2)CC1 40460211 JXMGLACAYDSBMT-HNNXBMFYSA-N 323.824 2.669 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(F)cc1Cl 40477730 WMBSBZHLFOXWQK-MRVPVSSYSA-N 301.749 2.515 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)C[C@H](O)c2ccccc2)c1 40543107 NLNJITNELCLZFH-KRWDZBQOSA-N 304.411 2.952 0 40 DFAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc(C(C)(C)C)no1 40511409 AWSHVHBQEOGMRP-QMMMGPOBSA-N 301.350 2.710 0 40 DFAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(O)cc1)CC(O)=N2 20745860 DWTDKDADDZOYDB-ZDUSSCGKSA-N 321.340 2.800 0 40 DFAB COc1cccc(C(=O)NC(=S)Nc2cccc(C)n2)c1 361254 SRUQPYANQLTFNU-UHFFFAOYSA-N 301.371 2.525 0 40 DFAB Cc1nc(C)n(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 92197705 RYWBPIUTESNNTC-GFCCVEGCSA-N 301.268 2.527 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1Cl 4196113 DBAPOUONWZJLLU-GTXTVBEKSA-N 305.761 2.785 0 40 DFAB Nc1nn(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc12 32912307 JUTCTSVKODTBDK-UHFFFAOYSA-N 320.352 2.656 0 40 DFAB C[C@H]1CCC2=NN(C(=O)c3ccco3)[C@@](O)(C(F)(F)F)[C@@H]2C1 4559063 WWMBCTJTJQTNDI-RWEMILLDSA-N 316.279 2.779 0 40 DFAB O=C(CSc1nccc2ccccc12)NC[C@@H]1CCCO1 6403016 YRGUKJRHWNABNG-ZDUSSCGKSA-N 302.399 2.622 0 40 DFAB Cc1cccc(CN(Cc2nc(O)c3cnn(C)c3n2)C2CC2)c1 52829449 UEBFOTZRDBCERP-UHFFFAOYSA-N 323.400 2.542 0 40 DFAB Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 10156757 SHUUKLARQCCVRI-UHFFFAOYSA-N 321.163 2.996 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)c3ccc(F)cc3F)cc12 22472823 YQHJMKKPRKWMRP-UHFFFAOYSA-N 302.284 2.807 0 40 DFAB COC[C@@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 22461856 PEAYSXLNAHBOHK-CYBMUJFWSA-N 309.369 2.790 0 40 DFAB C[C@@H](CNC(=O)[C@@H](C)OCC(F)(F)F)N(C)c1ccccc1 46951448 NHVLRLSDTSXAGF-NWDGAFQWSA-N 318.339 2.595 0 40 DFAB CCCn1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1=O 47184724 UXGMOQWZZMFDPI-ZDUSSCGKSA-N 300.358 2.664 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]2C(C)=NN=C2C[C@@]1(C)O 101997976 OATADCACUCTNIL-MWDXBVQZSA-N 302.349 2.716 0 40 DFAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N1C[C@@H](C)O[C@H](C)C1 59854112 SGISAVORUPXZAR-QJPTWQEYSA-N 312.360 2.715 0 40 DFAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(-c2ccn[nH]2)c1 24890721 HLNBEXYZGISJDY-LLVKDONJSA-N 314.389 2.566 0 40 DFAB CC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321116 WFGCFWRGYKEMQQ-JTQLQIEISA-N 319.430 2.593 0 40 DFAB COc1ccc(NC(C)=O)c(NC(=O)CSC(F)(F)F)c1 56180412 PTYHKQLQIWKORV-UHFFFAOYSA-N 322.308 2.845 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@H](O)C1 43602830 DHJHANVHCFMUJB-NSHDSACASA-N 310.423 2.574 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)c(=O)[nH]1 71884292 WMEWUMNIKWRSKU-UHFFFAOYSA-N 308.740 2.748 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)n1 12528022 GSZIWRNGCPILNQ-CYBMUJFWSA-N 313.357 2.643 0 40 DFAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1Cl 102023944 NFPXDDVVTWHQGT-AWRWRYAPSA-N 321.760 2.810 0 40 DFAB O=C(O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 35891346 YASRGYMOUBZFMM-CVEARBPZSA-N 301.386 2.894 0 40 DFAB CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 61997322 HSDZFUXEPMRFQO-GFCCVEGCSA-N 310.394 2.712 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100395160 MJSCFQBYOZURHK-GBALJZQLSA-N 322.408 2.672 0 40 DFAB CCCNC(=O)C[S@@](=O)Cc1ccc(Cl)cc1Cl 58132372 HMXKSXFJMMZGQT-GOSISDBHSA-N 308.230 2.768 0 40 DFAB C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)C(=O)NC(C)(C)C 58278693 OJKBFBLCCDRPMN-LBPRGKRZSA-N 318.417 2.508 0 40 DFAB C[C@@H](C(=O)NCc1ccc(-c2ccccc2F)o1)n1cncn1 58249756 ZXXFKLYSSWWWRI-NSHDSACASA-N 314.320 2.555 0 40 DFAB CC[C@](C)(NC(=O)CCc1nc2ccccc2s1)C(=O)OC 58316104 OGBBVSOPUWAMTM-INIZCTEOSA-N 320.414 2.687 0 40 DFAB COc1ccc(C[C@]2(C)NC(=S)N(c3ccccc3)N2)cc1 27906465 BYRPABIHYGGPJW-QGZVFWFLSA-N 313.426 2.853 0 40 DFAB CC(=O)Nc1cccc2c1CCN(c1cc(Cl)nc(C)n1)C2 58416476 RETLUFRENGTLEI-UHFFFAOYSA-N 316.792 2.960 0 40 DFAB Cc1ccc(CS(=O)(=O)NCCOc2ccc(C)cc2)cc1 10544256 ZKLLGIWGZBEJIQ-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB O=C(Nc1cccc2ccccc12)N1CCN(C(=O)C2CC2)CC1 11004100 DNCQHBOWOVVULC-UHFFFAOYSA-N 323.396 2.926 0 40 DFAB CCCn1nc(C(=O)Nc2ccc3[nH]c(C)cc3c2)ccc1=O 48265166 LAYQYUDJBIXVRX-UHFFFAOYSA-N 310.357 2.695 0 40 DFAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1Cl 48302422 GBHNBPFHPLNRLB-NWDGAFQWSA-N 305.765 2.824 0 40 DFAB Cc1oc(C)c(C(=O)OCCc2cn[nH]c2)c1Br 97020111 WSIALTXVZKQRHS-UHFFFAOYSA-N 313.151 2.782 0 40 DFAB O=C(COC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl 3533082 JEGHSHOLUAKTFV-UHFFFAOYSA-N 315.112 2.777 0 40 DFAB O=C(COc1ccccc1Cl)NC(=O)NC1CCCCC1 3517348 DZIZOSICKWAPSK-UHFFFAOYSA-N 310.781 2.877 0 40 DFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1nccs1 8735442 KNQWBBGUZBYBIE-GFCCVEGCSA-N 309.435 2.803 0 40 DFAB NC(=O)[C@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccc1 8922325 NTORGYRKTBFBBH-CQSZACIVSA-N 324.409 2.819 0 40 DFAB CC(C)CCC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 72233716 AKCHLFMMWWPQHX-MRXNPFEDSA-N 318.417 2.602 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 72235232 BKZUOLIDLDLGAT-CQSZACIVSA-N 318.446 2.753 0 40 DFAB CSc1nnc(CN(C)C[C@@H]2COc3ccccc3O2)s1 65474680 AXHQNIVIBQCWJZ-SNVBAGLBSA-N 323.443 2.532 0 40 DFAB CCOC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 22073359 XLWBELMJPVEBPO-UHFFFAOYSA-N 305.721 2.559 0 40 DFAB Cc1n[nH]c(SCCC(=O)NCc2cc3ccccc3o2)n1 76092575 KEQXBIRTJCLKHI-UHFFFAOYSA-N 316.386 2.658 0 40 DFAB O=C(CSc1nnc(CCC2CCCCC2)o1)N1CCC1 66257366 UAGYMOWKQTVOLB-UHFFFAOYSA-N 309.435 2.907 0 40 DFAB NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 5705188 YYIDCISVLMWQKR-UHFFFAOYSA-N 320.348 2.956 0 40 DFAB CC(=O)N(CCc1ccccc1)Cc1nc(-c2ccncc2)no1 90094517 MXSUYSLFJHQETN-UHFFFAOYSA-N 322.368 2.723 0 40 DFAB CC(C)c1cc(N[C@H]2CCCN(C(N)=O)C2)nc(C(C)C)n1 96011325 YJZOBBGIMTZRHX-LBPRGKRZSA-N 305.426 2.678 0 40 DFAB CCCn1nc(-c2nnc3n2CCCCC3)c2ccccc2c1=O 7263276 XUOOGJNSERFRSC-UHFFFAOYSA-N 323.400 2.791 0 40 DFAB C[C@@H]1CN(Cn2nc(-c3cccs3)[nH]c2=S)C[C@@H](C)O1 16075323 HDBPBFJWCNFNMO-NXEZZACHSA-N 310.448 2.736 0 40 DFAB C[C@@H]1CN([C@@H](CN)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 62712705 CJAJZFIMGRQREW-WZRBSPASSA-N 318.339 2.694 0 40 DFAB Cc1cc(C)n(-c2nc(-c3cnn(C)c3)cc(C(F)(F)F)n2)n1 17055943 IHCKSRSWMZGUAM-UHFFFAOYSA-N 322.294 2.698 0 40 DFAB CCc1cccc(CC)c1NC(=O)N1CCOC[C@H]1C[C@@H](C)O 97147648 ZEKVHNWRKPVSLY-CZUORRHYSA-N 320.433 2.815 0 40 DFAB O=C(CCOC1CCOCC1)NC1CC(c2ccccc2)C1 84598838 CWCWKYIGTIYLNH-UHFFFAOYSA-N 303.402 2.635 0 40 DFAB CC(C)CC(=O)N[C@H](C(=O)Nc1cccnc1Cl)C(C)C 78991978 QKHKCOPPXCDOHE-ZDUSSCGKSA-N 311.813 2.860 0 40 DFAB CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 95446583 UDKPPSRLUSTZDO-BFYDXBDKSA-N 324.852 2.608 0 40 DFAB C[C@@H](CCSc1ccccc1)N1CCCN(C(N)=O)CC1 95430662 BPFASZNDOCFONR-AWEZNQCLSA-N 307.463 2.644 0 40 DFAB O=C(C1CCOCC1)N1CCN(CC2CC2)c2ccccc21 73304665 KVMLGRMZJLOBMY-UHFFFAOYSA-N 300.402 2.676 0 40 DFAB O=C(Nc1cc(F)cc(Cl)c1)N[C@@H]1CCc2[nH]ncc2C1 95975311 BMLYMANNOGLKRW-LLVKDONJSA-N 308.744 2.881 0 40 DFAB COCc1nc(CNc2cccc(-c3ncon3)c2)cs1 95971965 UFBREKUAJMBXED-UHFFFAOYSA-N 302.359 2.952 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)NC[C@@H]1CCC[C@@H]1O 74316972 GNPPCRJAMJKROD-BBRMVZONSA-N 318.417 2.578 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(CCc1cccc(F)c1)C1CC1 110681765 CMTAKPYNTWFDFV-IXDOHACOSA-N 318.392 2.862 0 40 DFAB Cc1nn(C)c(C)c1OCc1nc([C@H](C)OCC(C)C)no1 89512343 HBJZFJHIVPZANY-LBPRGKRZSA-N 308.382 2.733 0 40 DFAB COc1cccc(CN(C)C(=O)CCc2nc(C3CC3)no2)c1 75143864 PWHMYAUYZPPABM-UHFFFAOYSA-N 315.373 2.547 0 40 DFAB O=C(Nc1cccc2[nH]cnc12)c1cc2ccccc2c(=O)[nH]1 75141875 KYFYBSFVDUDZDN-UHFFFAOYSA-N 304.309 2.657 0 40 DFAB CC1(C)C[C@@H](NCCCNC(=O)c2cccs2)C(C)(C)O1 89640930 FKFSICKSZNVOHT-CYBMUJFWSA-N 310.463 2.804 0 40 DFAB CC(C)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 89802050 ZJYVLKNHHRDKPY-RDJZCZTQSA-N 320.477 2.920 0 40 DFAB Cc1nc2ccc(C(=O)NCc3nnc4ccccn34)cc2s1 79477080 RFHUHBJQPQJLBW-UHFFFAOYSA-N 323.381 2.577 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCOC[C@H](C2CCC2)C1 520594001 BWRWINVGHHEQSY-GDBMZVCRSA-N 307.365 2.700 0 40 DFAB C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79350588 UJWGRJYNFYLNIX-CRAIPNDOSA-N 319.449 2.529 0 40 DFAB COCc1nc([C@@H]2NC(=O)CN2CCC2CCCCC2)cs1 78760797 CIYOJVNTIVVADY-MRXNPFEDSA-N 323.462 2.690 0 40 DFAB Cn1nc2c(c1NC(=O)c1ccc3ccn(C)c3c1)CSC2 71282578 JFUFETHVIRSNNO-UHFFFAOYSA-N 312.398 2.911 0 40 DFAB COCCOc1cc(C(=O)NCc2ccccc2Cl)ccn1 182263201 AMGAVTPDSDAESX-UHFFFAOYSA-N 320.776 2.690 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@H](CO)[C@@H](C(F)(F)F)C1 199562841 HDIAFCPGZDGNRK-OLZOCXBDSA-N 317.307 2.816 0 40 DFAB CCc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)cc1 224198805 RLXGDNDGKWXCEN-UHFFFAOYSA-N 310.401 2.569 0 40 DFAB C[C@H]1CCC[C@@H](C)N(C(=O)CCOc2cccc(C(N)=O)c2)C1 81787889 PSFBMPRBFKOPHF-UONOGXRCSA-N 318.417 2.592 0 40 DFAB Cc1noc([C@@H](C)N(C)C(=O)COc2cccc(Cl)c2C)n1 582854001 HSEVGGMTLSVZNK-SNVBAGLBSA-N 323.780 2.938 0 40 DFAB O=C(NCc1cccc(Cl)c1)NC[C@@H](O)c1ccsc1 96417599 RQIVKMIMAAJMJS-CYBMUJFWSA-N 310.806 2.934 0 40 DFAB CC(=O)N1CCc2cc(C(=O)OCc3nc(C)cs3)ccc21 96442934 WQWMHHDYHNJGPK-UHFFFAOYSA-N 316.382 2.718 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)N2CC[C@]3(CCOC3)C2)ccn1 96494802 NNYRDLNBTYUWEE-DYVFJYSZSA-N 304.390 2.512 0 40 DFAB O=C(c1ccc2nccn2c1)N1CCC[C@H](c2ccncc2)C1 580569634 YNKCDIMHBPMICY-HNNXBMFYSA-N 306.369 2.749 0 40 DFAB O=c1c(C(F)(F)F)cccn1Cc1nnc(C2CC2)n1C1CC1 96501461 TUXHVDQGHPDIFM-UHFFFAOYSA-N 324.306 2.719 0 40 DFAB C[C@@H](c1ccccc1F)[S@](=O)Cc1ccc(C(N)=O)cc1 96404310 WBVHLXPQASBGFK-MQJDWESPSA-N 305.374 2.935 0 40 DFAB Cn1cnc2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc21 96117839 HGYOVSAKFRQDBL-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB Cc1cccc(NCc2cnn(-c3ccccc3C(=O)O)c2)n1 257266784 MENFZCXGGAVJET-UHFFFAOYSA-N 308.341 2.886 0 40 DFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2c[nH]cn2)n1 257313133 URDXTISYICJZJW-HNNXBMFYSA-N 324.388 2.809 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)[C@H]3CCCCO3)CC2)s1 257221183 DNVVCCCKSHOYJW-CYBMUJFWSA-N 308.447 2.901 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2cncc(-c3ncc[nH]3)n2)nc1 257339328 ZBGJZTDJIQUJQL-MRXNPFEDSA-N 306.373 2.599 0 40 DFAB NC(=O)c1cnc([C@@H]2CCCN2Cc2ccc(F)cc2)s1 257216898 CWOYWVJNUSWZMP-LBPRGKRZSA-N 305.378 2.718 0 40 DFAB Cc1nc(CN2CCC(c3ccnc4ccnn34)CC2)cs1 257333027 XZTTXZLLLSGZBS-UHFFFAOYSA-N 313.430 2.874 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)Cn3ccnc3)cc2C1 42510734 QQRLSNAUIFSTAY-RYUDHWBXSA-N 303.431 2.888 0 40 DFAB CCC(=O)N1CCC[C@](C)(c2cn3cccc3c(N(C)C)n2)C1 257258879 KVWYKJKEMGZIOI-SFHVURJKSA-N 314.433 2.690 0 40 DFAB CCCN1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 585112978 XKXJRWWOTRIXBB-STQMWFEESA-N 305.422 2.561 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccs2)C1 53974427 ZNZXCOYYOJPILL-VXGBXAGGSA-N 310.419 2.794 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(N)=O)c1cccs1 54866471 YLESTYVHADGBKL-UTUOFQBUSA-N 309.435 2.543 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)OCCn3cccn3)cc2)n1 52766184 ZTQUBMFKEULBER-UHFFFAOYSA-N 310.357 2.543 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1C(=O)c1ccco1 69831938 GDMGTQLYGABNPW-ZDUSSCGKSA-N 320.295 2.801 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccncc1 65562550 PPEYTJHBRNPLBS-QMTHXVAHSA-N 313.332 2.524 0 40 DFAB CN1C[C@H](CN2CCCCCC2)[C@H](O)[C@H](c2ccccc2)C1 5699190 KLSHAXBXEWJRGO-QYZOEREBSA-N 302.462 2.569 0 40 DFAB CCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nc2ccccc21 12145825 JIKZIMSWAMFWRG-CYBMUJFWSA-N 312.417 2.551 0 40 DFAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NCC(F)(F)F 10962949 OLPDKTXDGFIZNQ-SSDOTTSWSA-N 304.293 2.987 0 40 DFAB CSc1nc(C)c(C)c(N2CCN(c3ccccn3)CC2)n1 1888860285 NEWDGSTYBXQXIH-UHFFFAOYSA-N 315.446 2.537 0 40 DFAB O=C(NCCc1ccccc1)NC[C@H](O)c1ccc(Cl)cc1 31039325 SVHVJCIJUSBATO-INIZCTEOSA-N 318.804 2.915 0 40 DFAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2ccnc2)C3)c1 1565520383 QEYBSTGDFBGVJU-IRXDYDNUSA-N 324.428 2.957 0 40 DFAB O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccncc1 4710428 FBSDIMFXTWQUPL-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB COc1cc2nc(NC(=O)c3cc(C)no3)sc2cc1OC 12422446 VMJBPHRWPUADKL-UHFFFAOYSA-N 319.342 2.862 0 40 DFAB COCc1nc2ccccc2n1C[C@H](O)COc1ccccc1 16903782 PFMZDCCXRZHHBR-AWEZNQCLSA-N 312.369 2.623 0 40 DFAB COc1ccccc1CNC(=O)NCCc1ccc(F)cc1 40024079 RFAQPSQBUDYARZ-UHFFFAOYSA-N 302.349 2.876 0 40 DFAB c1csc(-c2n[nH]cc2CNC[C@@H]2CCN(C3CC3)C2)c1 30907283 FVYIBSROUCZFGK-LBPRGKRZSA-N 302.447 2.712 0 40 DFAB CC(=O)N1C(=S)NC(=O)/C1=C\c1c(Cl)cccc1Cl 122682 XCWKXAIILGGLFN-BJMVGYQFSA-N 315.181 2.598 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 100794048 CGSDASPBVBTXIV-AVGNSLFASA-N 318.804 2.915 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nn1 31873953 LKCWCBIFIQRMJL-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB COc1ccccc1C(=O)NC(=S)Nc1cccnc1Cl 248651 ZCKLACTUTMWGMO-UHFFFAOYSA-N 321.789 2.870 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)o1 32428280 XOVXAOJJTXHVTL-LLVKDONJSA-N 304.415 2.826 0 40 DFAB COc1ccc(Cl)cc1C(=O)Nc1sccc1C(N)=O 2628022 IZRUABBXMPGXAK-UHFFFAOYSA-N 310.762 2.761 0 40 DFAB NC(=O)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 60551151 BNTWBXPWJMOKRV-UHFFFAOYSA-N 323.396 2.634 0 40 DFAB COc1ccc(CC(=O)Nc2nonc2-c2ccccc2)cc1 12062487 RWEQSMBUGVDDLV-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB biogenic COC(=O)c1cn(CC(=O)Nc2ccccc2O)c2ccccc12 32814966 TZKRKEJDRBCREH-UHFFFAOYSA-N 324.336 2.772 0 40 DFAB CCC(CC)NC(=O)c1ccc(OCc2noc(C)n2)cc1 32860426 OJNIOHCUUVAVRA-UHFFFAOYSA-N 303.362 2.875 0 40 DFAB COc1ccccc1OCCN1C(=O)C(=O)c2cc(C)ccc21 2699788 KPGZNVOPWKFAEB-UHFFFAOYSA-N 311.337 2.612 0 40 DFAB COc1c2c(cc3c1[C@@H](CC(=O)C(C)(C)C)N(C)CC3)OCO2 486268 GRGISZXMSGXHOR-GFCCVEGCSA-N 319.401 2.958 0 40 DFAB biogenic O=C(NC[C@@H]1CCOC1)C1(c2ccc(Br)cc2)CC1 41368804 UZHWTINQPYUKQD-NSHDSACASA-N 324.218 2.633 0 40 DFAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCC2 6383792 MUCMRSPIYGDVQK-UHFFFAOYSA-N 305.333 2.654 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)sc2C)c1 6679946 PRPMDAGGAIINRY-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB COc1cc(OC)cc(C(=O)OCC(=O)c2ccccc2F)c1 7434447 JXWFJGRIDLAXNW-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB COc1ccc(-c2nnc([C@@H](C)N3CCOC(C)(C)C3)o2)cc1 71841987 ILDSJVRDMFAEHH-GFCCVEGCSA-N 317.389 2.917 0 40 DFAB O=C(C1[C@@H]2CCC[C@@H]12)N1CCN(c2cc(F)ccc2F)CC1 102690465 DPHWSHBARSLDEJ-CHWSQXEVSA-N 306.356 2.660 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2nccs2)CC1 71824415 UQTIDQAILYUUKX-CABCVRRESA-N 313.426 2.595 0 40 DFAB CN(CN1C(=O)CC2(CCCC2)C1=O)[C@@H]1CCc2ccccc21 22758510 BYYGPGQETFTIIV-MRXNPFEDSA-N 312.413 2.883 0 40 DFAB COC(=O)CCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 97060202 LBOSPUVXOSFRFH-GFCCVEGCSA-N 310.419 2.501 0 40 DFAB CS[C@H](C)CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 97032114 IBFBUPLPTGUQEQ-RDDDGLTNSA-N 308.230 2.895 0 40 DFAB CC(C)[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1F 97081866 QYEHAYGPHWWWBH-TZMCWYRMSA-N 312.772 2.571 0 40 DFAB Cc1ccc2c(CN(C)C3CCN(C)CC3)cc(=O)oc2c1C 9683189 DLIUPATYMBFCJH-UHFFFAOYSA-N 314.429 2.936 0 40 DFAB COc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)cc1F 54610177 HIIPBVKIZSIRPK-BZNIZROVSA-N 302.349 2.712 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)s1 72232070 VZVWBBQSHLPKBV-NSHDSACASA-N 320.418 2.978 0 40 DFAB NC(=O)c1c(Cl)cccc1NC(=O)c1ccnc(Cl)c1 76067047 KAFBFCGFISLMDG-UHFFFAOYSA-N 310.140 2.740 0 40 DFAB COc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C)cn1 25067135 FCZGCDBSGAUPLK-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB CNc1cc(C(=O)N2CCC[C@H](COC)C2)c2ccccc2n1 76061256 PRTSCKWUNHCAME-ZDUSSCGKSA-N 313.401 2.775 0 40 DFAB CCCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F 78543190 GMBLIWFZRCZZDX-UHFFFAOYSA-N 310.341 2.589 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(OC)cc1 3254787 CMFOWUNOILRBBL-CQSZACIVSA-N 305.374 2.643 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 3208123 CLSQZYJXLKEAAT-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCc1nnsc1C(=O)Nc1ccc(-c2csnn2)cc1 57241460 FQUCUDVIUPFLSD-UHFFFAOYSA-N 317.399 2.871 0 40 DFAB Cc1ccc(F)c(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1 72235623 XYMKDEASYKZXSW-CQSZACIVSA-N 316.380 2.820 0 40 DFAB COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\O)c1 100620942 GMWDWLOXZLBAKZ-ZPHPHTNESA-N 310.309 2.984 0 40 DFAB CC(C)Oc1ccccc1CC(=O)N(C)C1CCN(C)CC1 58229124 JYUFKQXMGHWKDU-UHFFFAOYSA-N 304.434 2.569 0 40 DFAB O=C(NCCCn1cccn1)c1sccc1Br 44949759 BUXICNVHRRORHV-UHFFFAOYSA-N 314.208 2.527 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccccc1OC)c1cccs1 25194666 NMUBBIDWXIIERV-GFCCVEGCSA-N 319.382 2.791 0 40 DFAB NC(=O)c1ccc(COc2cccc(Oc3ncccn3)c2)cc1 58356109 WLVZOGKMISOHBF-UHFFFAOYSA-N 321.336 2.947 0 40 DFAB CCO[C@H](CC)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 58406122 DAFFJQWDWVPFBU-MRXNPFEDSA-N 319.380 2.751 0 40 DFAB CCCCNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 58432404 HGFUYIFLLNCXOC-VIFPVBQESA-N 310.448 2.773 0 40 DFAB O=C(CNC(=O)c1ccccc1)Nc1cccc2cccnc12 10913830 QQQFNQXRFINNAC-UHFFFAOYSA-N 305.337 2.603 0 40 DFAB O=C(CCCNc1ncccn1)NCCc1c[nH]c2ccccc12 45856989 ZEHCCJKYZTZHKK-UHFFFAOYSA-N 323.400 2.509 0 40 DFAB biogenic Cc1ccc(CNC(=O)COC(=O)c2cc(C)oc2C)cc1 3464164 MNOXUVGEGMFVAG-UHFFFAOYSA-N 301.342 2.678 0 40 DFAB CCc1ccc(NC(=O)COC(=O)c2ccc(CO)cc2)cc1 3419208 SDQQJGYQBRFVJU-UHFFFAOYSA-N 313.353 2.537 0 40 DFAB COc1ccc(-c2cnc(CN3CC(n4cc(C)cn4)C3)o2)cc1 71876847 RHPBGEGSNFJIMI-UHFFFAOYSA-N 324.384 2.912 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1nonc1-c1ccccc1 8868553 RAQFIPZXSMCSQB-UHFFFAOYSA-N 313.288 2.893 0 40 DFAB CN1C(=S)S[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C 13115488 XRNWNZXLMNEECB-JTQLQIEISA-N 317.480 2.788 0 40 DFAB COc1ccc(C2(CN[C@@H]3CCOC3=O)CCCCC2)cc1 71902601 MZFLZYZEERLYGG-MRXNPFEDSA-N 303.402 2.802 0 40 DFAB O=C(NC1=NCCS1)c1ccc(CN2CCCCC2)cc1 14075984 LJZVWPSPEBFHGS-UHFFFAOYSA-N 303.431 2.505 0 40 DFAB O=C(NCc1ccncc1)c1cn2cc(Cl)cc(Cl)c2n1 5729252 XEELKJZULHISLI-UHFFFAOYSA-N 321.167 2.966 0 40 DFAB CN(C)CCCNC(=S)N1CCCSc2ccccc21 7101796 COUZHLBJDNMSGZ-UHFFFAOYSA-N 309.504 2.815 0 40 DFAB COc1ncccc1C(=O)N1CCCCC[C@@H]1c1noc(C)n1 96001140 JJTHTJSLYYGZQN-CYBMUJFWSA-N 316.361 2.539 0 40 DFAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1CCOCC1 9314730 AHKQCJIQIUQMIF-AWEZNQCLSA-N 322.408 2.917 0 40 DFAB CC(C)C[C@H](C)N(C)C(=O)c1ccc(-c2ccncc2)[nH]c1=O 69001310 IPLCIYWNPWKREM-ZDUSSCGKSA-N 313.401 2.944 0 40 DFAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccn1 8343330 KHVFXFHUXZDFKN-VIFPVBQESA-N 304.733 2.955 0 40 DFAB COc1ccc(-c2nc(CCNC(=O)C3CCC3)co2)cc1 69569271 FXINKSPSFUTRJG-UHFFFAOYSA-N 300.358 2.809 0 40 DFAB CCn1cc(NC(=O)c2c(C)nc(C3CC3)nc2SC)cn1 96427140 NPBIZRZEYUEHMV-UHFFFAOYSA-N 317.418 2.853 0 40 DFAB COC(=O)c1ccccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 91959657 KNJZWOBEKLFZMC-PBHICJAKSA-N 313.401 2.753 0 40 DFAB COC(=O)C[C@@H](C)OC(=O)c1sccc1Br 97137092 SDAAEPAFGHICEV-ZCFIWIBFSA-N 307.165 2.619 0 40 DFAB COc1ccc(C(=O)Nc2cnccn2)c(Br)c1 97146319 UUUIKVKRYXUFOC-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB Cc1n[nH]c(C)c1CNC[C@H](c1ccco1)N1CCCCC1 97159207 GFHQGCVHPQSRPA-MRXNPFEDSA-N 302.422 2.936 0 40 DFAB Cc1noc([C@H](C)NC(=O)/C=C/c2cn(C)c3ccccc23)n1 72302825 PQYIZPFCGRKWFL-FBOQAHMBSA-N 310.357 2.760 0 40 DFAB Cc1cc(-n2cccn2)ccc1COC(=O)c1cn(C)nc1C 97372296 WUSGGXSUUWDVNN-UHFFFAOYSA-N 310.357 2.580 0 40 DFAB O=C(Nc1cnc2ccccc2c1)C(=O)N1CCCCCCC1 84594867 RMOFWZCYZOVHQZ-UHFFFAOYSA-N 311.385 2.966 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 72867560 MFOIPYFTBPDNQZ-FHWLQOOXSA-N 324.424 2.801 0 40 DFAB C[C@H](O)C1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 84636620 ARXDGHDVWCPXTL-BLLLJJGKSA-N 322.836 2.538 0 40 DFAB O=c1c(Cl)c(Cl)cnn1Cc1nc2cccnc2s1 95446968 HKZWJUIXGIIDJU-UHFFFAOYSA-N 313.169 2.603 0 40 DFAB Cc1ccccc1C[C@@H](C)NC[C@H](c1cnn(C)c1)N(C)C 95422640 KWVUHPPSLVVUAX-CRAIPNDOSA-N 300.450 2.552 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1F 95980322 ACENGSMHMCIHFS-AWEZNQCLSA-N 321.327 2.518 0 40 DFAB CC(C)CCn1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)n1 95994350 GPWXGZREUQXICG-CYBMUJFWSA-N 308.426 2.696 0 40 DFAB Cc1occc1C(=O)Nc1ccc(-n2ccc(C(=O)O)n2)cc1 95970519 JERTWCZVXLEGDS-UHFFFAOYSA-N 311.297 2.724 0 40 DFAB CCc1cc(CNC(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)on1 74428837 MSIRALLYGQIAEL-CJNGLKHVSA-N 309.410 2.582 0 40 DFAB COc1ccc(CN(C)c2ncncc2Br)cc1O 89635809 JHJCTVJYVILRHH-UHFFFAOYSA-N 324.178 2.590 0 40 DFAB CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1cccc(F)c1 89761707 YTTCSLYZUBCUDZ-UHFFFAOYSA-N 323.412 2.648 0 40 DFAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)COc1ccccc1 21798354 FCGYBKIDXDHLEF-UHFFFAOYSA-N 322.364 2.566 0 40 DFAB Cc1ccccc1OCCn1cc(C(=O)C(N)=O)c2ccccc21 408571284 OFWBOCKVGBBYPJ-UHFFFAOYSA-N 322.364 2.697 0 40 DFAB O=C(CCc1nc(-c2ccccn2)no1)NC1CCCCCC1 31483933 SZIRBNZUVAVVJH-UHFFFAOYSA-N 314.389 2.903 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@H](O)c2ccc(Cl)s2)c1 75273616 GKQPILZIYHCKDQ-LBPRGKRZSA-N 324.833 2.931 0 40 DFAB COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1O 38420578 FSKJPXSYWQUVGO-VQHVLOKHSA-N 313.309 2.751 0 40 DFAB endogenous,in-man Cc1ccc(OCC(=O)Nc2ccccc2C)c(-n2cnnc2)c1 32646694 JVSJBFIHOZUBAR-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340187 UZALNYNQEBRSDO-VKJFTORMSA-N 319.376 2.701 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)c2ccnc(N(C)C)c2)C1 78987193 LBUHJDKSBYTRMC-CQSZACIVSA-N 307.463 2.895 0 40 DFAB O=C(O)c1cc(NS(=O)(=O)c2cccs2)ccc1Cl 37641986 VXYDDXPDNYALFF-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB CCOC(=O)[C@H](CN)[C@@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216351737 ZVWBFUVUIJMJET-LNMJFAINSA-N 322.493 2.805 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(Cl)cn1 72203165 BFGVVXPBFCPNAY-JTQLQIEISA-N 312.801 2.576 0 40 DFAB CCCC(CCC)C(=O)N1C(=O)CN(C)C(=O)c2ccccc21 40385860 OWPKOEVLAVGRNT-UHFFFAOYSA-N 316.401 2.848 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)NCc1cccc(C)c1 41447927 QRVQPDVSKZDZGS-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB C[C@H](Oc1cccc2ccccc12)C(=O)NC1CCN(C)CC1 195326504 MMPDIQNONRLAIK-AWEZNQCLSA-N 312.413 2.818 0 40 DFAB O=C(/C=C/c1ccco1)N[C@H](c1cccnc1)C1CCOCC1 225616912 FDKUQZCJEBVAIF-QWNKOJSDSA-N 312.369 2.972 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225244762 ZORGHWAYEXOHEB-QWHCGFSZSA-N 308.397 2.868 0 40 DFAB CSc1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1 75163803 DBRNDRFPSOOGON-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1nccs1 226852820 YVCJEURCKMURDF-LLVKDONJSA-N 314.370 2.735 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cn1 85481161 ZXOOTWZPSBPCGN-OAHLLOKOSA-N 309.369 2.663 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cccnc2)C1 96193114 VCDQXPUONWKCAK-QGZVFWFLSA-N 311.341 2.612 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1cccc2ccccc12 97104490 BYNKFLZNEXYJRN-GUYCJALGSA-N 319.426 2.779 0 40 DFAB CC(=O)NCCCN[C@H](C)c1ccc(Br)c(C)c1 97233865 GTSCNIHZQVWYKC-LLVKDONJSA-N 313.239 2.934 0 40 DFAB CCCC(=O)NCC(=O)Nc1cccc(NC2CCCC2)c1 96410521 RIXQJTJMPIQWJQ-UHFFFAOYSA-N 303.406 2.896 0 40 DFAB C[C@@H](CCN1CCCC1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 97228822 XNGQTXSFNRSWTA-HOTGVXAUSA-N 323.481 2.652 0 40 DFAB c1coc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)c1 247973960 VOGPEHAPKHNTJF-BZSNNMDCSA-N 314.385 2.623 0 40 DFAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1COCCO1)c1ccc(Cl)cc1 252477738 UZFNDTCOFUGVQO-KAOXEZKKSA-N 309.793 2.569 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cccc3cccnc23)C1 257248591 JEIGZYSMVOXYEX-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB c1ccc(N2CCCC2)c(CN2CCOC[C@@H]2c2ccn[nH]2)c1 257298066 RJYQWCZEULDVCS-GOSISDBHSA-N 312.417 2.583 0 40 DFAB CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 44955394 LTDCCQPBSQMLPW-UHFFFAOYSA-N 315.200 2.688 0 40 DFAB CN(c1c(F)cccc1F)S(=O)(=O)c1cccc(F)c1 49306684 VIXJRMGKZGXWBI-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB CCO[C@H](CC)C(=O)N(C)CC(=O)Nc1ccccc1Cl 57184079 OXTACVMQYLTGJC-CYBMUJFWSA-N 312.797 2.552 0 40 DFAB CCSc1ccc(NC(=O)C(=O)N2CCCCCCC2)cn1 57669811 OCTPVRHFQYIAJF-UHFFFAOYSA-N 321.446 2.925 0 40 DFAB CCn1c(Cn2cnc3ccccc3c2=O)nc2c(F)cccc21 69515234 TUSNZGWNDHFEMQ-UHFFFAOYSA-N 322.343 2.954 0 40 DFAB C[C@H]1SCCN(C(=O)c2cnn(-c3ccccc3)c2)[C@@H]1C 71911073 SKAUXJITHHDTJV-CHWSQXEVSA-N 301.415 2.838 0 40 DFAB C[C@]12CC[C@@H]([C@]3(C)CCC4CC3(O)C4)[C@H](CO)[C@@H]1CCC2=O 5567145 QSUQXTWOXHXRAN-VEOGDUOJSA-N 306.446 2.932 0 40 DFAB CC(C)[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)O 5254842 RZJJBYLCZZUUJP-INIZCTEOSA-N 318.417 2.760 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 15330037 KVXBYWIKRPICKI-GFCCVEGCSA-N 303.333 2.918 0 40 DFAB C[C@H]([C@@H](C(=O)N1CCCCC1)N1CCCCC1)N1CCCCC1 19366251 ADKFLHVQVMGMJD-MSOLQXFVSA-N 321.509 2.728 0 40 DFAB O=C(NC/C=C/Br)N[C@@H]1CCNc2ccccc21 5594004 DMWCISDXUFPTJO-QDBLGGKGSA-N 310.195 2.751 0 40 DFAB COc1cccc([C@H](NC(=O)c2ccccc2)c2nccn2C)c1 24017067 QTOBWVGTZHNRIA-KRWDZBQOSA-N 321.380 2.948 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 5214489 YJIAGTRXSCFQDU-UHFFFAOYSA-N 319.382 2.836 0 40 DFAB CC(C)c1noc(CCC(=O)NCC2(c3ccccc3)CC2)n1 30678779 SJSJHMDGWHKVJR-UHFFFAOYSA-N 313.401 2.974 0 40 DFAB c1nc(N2CCC(COC3CCCC3)CC2)c2[nH]cnc2n1 40555519 FATFVDDHHQJURO-UHFFFAOYSA-N 301.394 2.529 0 40 DFAB Cc1c(-c2nnc(-c3ccncc3)o2)nnn1-c1ccccc1 20723094 RBZYUMGBSYCBKM-UHFFFAOYSA-N 304.313 2.688 0 40 DFAB Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 367235 VWDFAORHHMNAKR-UHFFFAOYSA-N 300.796 2.505 0 40 DFAB CC(C)c1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1C 1356032 LZERQLFPCXFPJE-VXGBXAGGSA-N 310.467 2.820 0 40 DFAB O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]1c1noc(C2CC2)n1 84136627 KSRTVXRSPCUJAI-QWHCGFSZSA-N 305.378 2.570 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2C)c1 3217610 YUGPJNFNUTZNRC-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB COC(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 503240 RNGRNFHBNBLEFI-UHFFFAOYSA-N 320.395 2.662 0 40 DFAB COc1cccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 503480 UKAHHMWCBPXQRW-MRXNPFEDSA-N 315.325 2.994 0 40 DFAB C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2)CN1Cc1ccccc1 97033794 ZRJANHUGODAURH-KDOFPFPSSA-N 309.413 2.860 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1F 57355242 NSYWFHDRQCDFLI-RHSMWYFYSA-N 318.392 2.748 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ncon1 97047448 RXBUBWVJUADBQL-LURJTMIESA-N 303.215 2.719 0 40 DFAB COCCNC1=NC=N[C@@H]2SC=C(c3ccc(C)cc3)[C@H]12 57369736 RGDGJMJVHWEICB-GDBMZVCRSA-N 301.415 2.701 0 40 DFAB COCc1nc([C@@H]2CCCCCN2C(=O)c2ccccc2)no1 96001263 IDYAPXHYUHUQMN-AWEZNQCLSA-N 315.373 2.974 0 40 DFAB Cc1nc(N(C)Cc2cnn(C)c2)c2c3c(sc2n1)CCC3 57028393 SHLFNFTZUDNVQK-UHFFFAOYSA-N 313.430 2.858 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)NC1CCC(O)CC1 72255217 YDWTUAZRGBKXGD-UHFFFAOYSA-N 306.406 2.533 0 40 DFAB CC(=O)c1ccc(N2CCN(c3nccs3)CC2)c(F)c1 12522892 SIJWFRPNQPCTJC-UHFFFAOYSA-N 305.378 2.811 0 40 DFAB O=C(Nc1cccc(OCCn2cncn2)c1)[C@@H]1CC=CCC1 43246595 OMPUEKYTRQHJGY-CQSZACIVSA-N 312.373 2.652 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)COC1CCCCC1 57223375 IUQNGKVVQAAPTH-UHFFFAOYSA-N 314.389 2.864 0 40 DFAB CC(C)N(Cc1ccccc1)C(=O)CSc1nccn1C 12660630 FMDXAOBNYJIDKP-UHFFFAOYSA-N 303.431 2.949 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCc2sccc2C1 58049781 AFUWHRGSFWXLJY-UHFFFAOYSA-N 311.366 2.997 0 40 DFAB CC(=O)NCCCOC(=O)c1conc1-c1ccc(Cl)cc1 76090707 CLCRXGBACXYURE-UHFFFAOYSA-N 322.748 2.678 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)ccc1C(N)=O 58192261 AKVYXOXWKAFRLJ-ZWNOBZJWSA-N 324.808 2.513 0 40 DFAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cn2ccccc2=O)o1 76068546 ZVLHUZMPNSRSAR-DZGCQCFKSA-N 314.385 2.750 0 40 DFAB CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1ccc(F)cc1F 97159224 JGVUJBXPFLOAAO-AWEZNQCLSA-N 309.360 2.809 0 40 DFAB CCNc1nnc(SC[C@@H](O)COc2ccccc2)s1 10344548 DHXFBIUUYUBNSE-JTQLQIEISA-N 311.432 2.502 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1nc(C)c(SC)s1 58342761 ZBFMRVPRAVZHOC-VIFPVBQESA-N 304.437 2.554 0 40 DFAB Cc1ccc(CC(=O)Nc2ccccc2S(C)(=O)=O)cc1 10699709 YTVZHKKQRQJJMJ-UHFFFAOYSA-N 303.383 2.580 0 40 DFAB Nc1nccnc1C(=O)Nc1nc2ccccc2n1C1CCCC1 77163476 VSXOOJIUFRCQKW-UHFFFAOYSA-N 322.372 2.776 0 40 DFAB NC(=O)Nc1ccc(NC(=O)CNc2ccccc2Cl)cc1 48325163 VIMGGDZELSUIMQ-UHFFFAOYSA-N 318.764 2.881 0 40 DFAB CC1CCC(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)CC1 12948818 ZQBFUYOABMHBQJ-NPCAHTBFSA-N 318.417 2.996 0 40 DFAB Cc1noc(C)c1CNC(=O)NCCc1ccccc1Cl 69583683 OAOXWMDAHKOGHH-UHFFFAOYSA-N 307.781 2.987 0 40 DFAB COc1ccc(Cn2nc(C)n(-c3ccc(C)cc3)c2=O)cc1 4089081 PFBBEKBZTPUEON-UHFFFAOYSA-N 309.369 2.708 0 40 DFAB O=C(NCCNc1ncccn1)N(CC1CC1)C1CCCCC1 69779420 UNNGCCJRTAXEFH-UHFFFAOYSA-N 317.437 2.643 0 40 DFAB CCc1sc2nnn(CC(=O)c3ccccc3)c(=O)c2c1C 13681151 RBGSQQFWINSHFT-UHFFFAOYSA-N 313.382 2.607 0 40 DFAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2[nH]ccc2c1 13688382 CDKPQEYXPHUFOG-UHFFFAOYSA-N 321.336 2.532 0 40 DFAB CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCCCc2ccccc21 69778545 KGLHFEZEXJQMBN-INIZCTEOSA-N 323.458 2.641 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1F 78757758 CMEVCXDRLGKBNY-DGCLKSJQSA-N 311.376 2.761 0 40 DFAB COCCNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5478087 YRBZKZIDQSJXDZ-VIFPVBQESA-N 317.418 2.522 0 40 DFAB COc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 6552941 DKAGNVSJULXQCG-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCN(c2ccccc2)CC1 6781716 OFPLJCPNDXIQOV-UHFFFAOYSA-N 321.380 2.719 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1 5786981 ZFTTZGKDRPMZQE-CYBMUJFWSA-N 308.403 2.884 0 40 DFAB Cc1ccc(OCCN(C)CC(=O)NC2CCCCC2)cc1 15102538 DCGQURUAJUNPDP-UHFFFAOYSA-N 304.434 2.755 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 7334686 AANRRKQIDFDKBZ-OAHLLOKOSA-N 324.424 2.758 0 40 DFAB O=C(NCc1ccnc(-n2cccn2)c1)c1cccc2[nH]ccc12 80543725 ZZJRCBFGCRLQBC-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB CC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1F 68741054 YTHBHILQNWBHAZ-SSDOTTSWSA-N 310.188 2.665 0 40 DFAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1 8393039 HWGUVSOCDYRBBL-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB COc1ccccc1OCCNCc1c[nH]nc1C(C)(C)C 97159517 PZAGXCRPHFBDFD-UHFFFAOYSA-N 303.406 2.884 0 40 DFAB CCN1CCCC[C@H]1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 96417160 IXEAFVDBFBDVRH-SJORKVTESA-N 318.417 2.667 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccn2)CC1 71824365 JHXDHIPMAZNRED-RTBURBONSA-N 321.424 2.530 0 40 DFAB COc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 71805014 DAKFGCFUSJAMKR-GXTWGEPZSA-N 319.401 2.730 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1nc2ccccc2n1C 71903338 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CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1 225617820 PCXOUXAFEYZAAE-INIZCTEOSA-N 309.362 2.684 0 40 DFAB COCc1cccc(NS(=O)(=O)Cc2ccccc2F)c1 224183457 MJYMOTWNLBOZLZ-UHFFFAOYSA-N 309.362 2.914 0 40 DFAB Cc1ccc(/C=C/CC(=O)NCC(=O)Nc2cccnc2)cc1 84756041 OWKWZFCFBXOUBG-DUXPYHPUSA-N 309.369 2.548 0 40 DFAB Cc1cccnc1NC(=O)c1ccc(O[C@H]2CCSC2)nc1 225714397 UHLBFJGNPIVBKD-ZDUSSCGKSA-N 315.398 2.922 0 40 DFAB CNCCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199800095 AOFITPAIRRFCCC-UHFFFAOYSA-N 313.192 2.553 0 40 DFAB O=C(c1ncccc1O)N1CCSC[C@@H]1c1ccccc1 97377886 YXZRYHYTEHAGCN-CYBMUJFWSA-N 300.383 2.718 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)c1ccc(C)s1)CC2 96106353 OMKLZOPXDMEJNF-CQSZACIVSA-N 323.458 2.962 0 40 DFAB Cc1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)[nH]n1 96456441 MORWGNHTHOUZCX-MRXNPFEDSA-N 313.401 2.582 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)NC3CCCC3)C2)cc1 96192782 AFIMRCWAFQPWPU-KRWDZBQOSA-N 302.374 2.637 0 40 DFAB CCOC(=O)CCOc1ccc(Br)cc1C=O 95731808 FLPQMRLDBVYQGS-UHFFFAOYSA-N 301.136 2.594 0 40 DFAB 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S=C(Nc1ccccc1I)NC1CC1 13330649 SFZDIMLGJVWTSX-UHFFFAOYSA-N 318.183 2.740 0 40 DFAB O=C(COC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2 5080222 PLOMIVOHXDIJSN-UHFFFAOYSA-N 303.358 2.521 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1N 9468314 CIFDFWRLHJWFOQ-NSHDSACASA-N 316.332 2.900 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1cccs1 9479658 BMMUORZUOJVNSG-VIFPVBQESA-N 302.355 2.570 0 40 DFAB CCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 4491518 HWANJMCTCQKZOQ-UHFFFAOYSA-N 310.825 2.695 0 40 DFAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CCN2CCCC[C@H]12 65623230 BMTNNKLDTQJEBT-RBUKOAKNSA-N 323.440 2.763 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1n[nH]c(=S)n1C 6564347 CILAGDYEOWVARC-LLVKDONJSA-N 308.382 2.744 0 40 DFAB O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1F 14813907 NARKNPQVTQTYBU-UHFFFAOYSA-N 317.368 2.508 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)CCC2 7214594 IGKDKRQVMJXJNK-CYBMUJFWSA-N 316.426 2.742 0 40 DFAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC2CCCCC2)c1 7224644 RIZUSZGIVMLSRI-LBPRGKRZSA-N 303.406 2.894 0 40 DFAB CC1CCN([C@H](C)CNC(=O)N2CCc3ccccc32)CC1 67662026 HYPZWOLFFMLYOD-OAHLLOKOSA-N 301.434 2.879 0 40 DFAB CCSc1nnc(NC(=O)CCc2c(C)noc2C)s1 7397723 BMWGBMQDXNHVMX-UHFFFAOYSA-N 312.420 2.826 0 40 DFAB Cc1nc(C)c(CSCC(=O)Nc2c(C)n[nH]c2C)s1 91030255 PNTLSUQXLXUCNL-UHFFFAOYSA-N 310.448 2.972 0 40 DFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(O)cc1 8287930 VOFZUBLBFFCWDK-INIZCTEOSA-N 311.337 2.569 0 40 DFAB Cc1cccc(-c2nc(CN3CC(n4cc(C)cn4)C3)no2)c1 69560193 QNEYQNRINJELMV-UHFFFAOYSA-N 309.373 2.607 0 40 DFAB C[C@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@H](C)O1 17325733 HNLHAZLKRPLJNX-RYUDHWBXSA-N 304.415 2.865 0 40 DFAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCC(N(C)C)CC3)c2c1 71828423 ITKMOMLOSFGBFR-UHFFFAOYSA-N 313.445 2.880 0 40 DFAB FC(F)(F)c1ccnc(N2CCCC[C@@H]2Cn2cccn2)n1 71859590 LVIPVEKCWXWRFP-LLVKDONJSA-N 311.311 2.751 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)CCC3)C2 71860253 WKTMONBRVIZGKG-UHFFFAOYSA-N 322.412 2.596 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(F)c1 71859104 CZWCUUYDYYPAEQ-LAJNKCICSA-N 311.422 2.912 0 40 DFAB CCc1csc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)n1 71856491 OGKLKKRDHCJUMK-UHFFFAOYSA-N 315.354 2.906 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC(n2cccc2)CC1 83888567 MWBUJTMMRGYNEP-DOTOQJQBSA-N 320.433 2.626 0 40 DFAB Cc1cnn(CCC(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)c1 71902913 AYHVRBNQTSLXQS-IRXDYDNUSA-N 313.401 2.698 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(CO)o1 71921698 NMAMSLOYSKSBTC-UHFFFAOYSA-N 311.385 2.864 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1 9815954 HIEVGWYFJAZVSP-MFKMUULPSA-N 321.446 2.729 0 40 DFAB COC(=O)[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1 72305479 APVXHYATLMVBEE-SFHVURJKSA-N 311.381 2.958 0 40 DFAB O=C(c1ccc2nccn2c1)N1CCC[C@H]1c1noc(C2CC2)n1 84494137 KJPXWJFRKAMPCD-ZDUSSCGKSA-N 323.356 2.572 0 40 DFAB C[C@](CO)(NC(=O)N[C@@H](c1ccc(F)cc1)C1CC1)C1CC1 95417163 YRIKTAMBRBQNAZ-NVXWUHKLSA-N 306.381 2.737 0 40 DFAB CS(=O)(=O)Cc1ccccc1NCCOc1cccc(F)c1 95402832 JOOXDTMRHNDINX-UHFFFAOYSA-N 323.389 2.861 0 40 DFAB COC(=O)CN(CC(C)C)C(=O)c1ccc(-n2cccc2)cc1 95411607 QHLCHBGRRFQZBM-UHFFFAOYSA-N 314.385 2.749 0 40 DFAB COCC[C@@H](C)NC(=O)N(C)Cc1nc2c(s1)CCCC2 78987824 WLCVLTAJYXMNSZ-LLVKDONJSA-N 311.451 2.588 0 40 DFAB O=C(NCCc1cccc(O)c1)N[C@H](c1nccs1)C1CC1 78952453 IPUWVDJPWRTVHP-AWEZNQCLSA-N 317.414 2.842 0 40 DFAB COc1ccc(C2(CN)CCN(C(=O)OC(C)(C)C)CC2)cc1 79034474 PZYRMFLMFYMOPI-UHFFFAOYSA-N 320.433 2.923 0 40 DFAB CC(=O)c1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)n(C)c1 95954837 KOJIZKHQSYXMDV-UHFFFAOYSA-N 320.732 2.832 0 40 DFAB O[C@H]1C[C@H](c2cc(F)ccc2F)N(CCc2ccccn2)C1 95973149 UKNOXRPRCGBSPS-WMLDXEAASA-N 304.340 2.710 0 40 DFAB Cc1ccc(C(=O)Nc2cc(C[C@H](C)C(C)(C)C)n[nH]2)c(=O)[nH]1 74830538 HPXPPKOFURQPCU-JTQLQIEISA-N 316.405 2.883 0 40 DFAB COc1cccc(NC(=O)NCCCC(C)(C)C2OCCO2)c1 75139125 UXQUBRMBOVKCTF-UHFFFAOYSA-N 322.405 2.996 0 40 DFAB C[C@H](O)CCN(C)C(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 89895425 AGHYHMHCWHKHOW-GMBSWORKSA-N 316.445 2.693 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)COCCN1 306145281 AHFBODVLXBQWGS-QGZVFWFLSA-N 320.389 2.631 0 40 DFAB CC(=O)NCCCOC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 77650551 NJYFKNNGCFWDCJ-QWRGUYRKSA-N 313.756 2.652 0 40 DFAB O=C1NCCCC[C@H]1SCc1csc(-c2ncccn2)n1 78555767 ZXAXXBCFCDXREA-LLVKDONJSA-N 320.443 2.502 0 40 DFAB CN(C)S(=O)(=O)c1cc(Cl)c(OC(F)F)cc1Cl 38441270 XGYVGRIIBLPSMT-UHFFFAOYSA-N 320.144 2.845 0 40 DFAB Cc1nnc(SCC(=O)NCc2ccccc2)n1CC(C)C 32579357 OTPUHGGGQRWBCP-UHFFFAOYSA-N 318.446 2.651 0 40 DFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COCCOC 79320842 DSNAPKWBQNVCDB-SJORKVTESA-N 305.418 2.834 0 40 DFAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 72555580 HAMDFQAMWSSUTE-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB COc1cc(CN2CCCN(c3ccccn3)CC2)ccc1O 194992661 GIUIQQYDYLCTBA-UHFFFAOYSA-N 313.401 2.508 0 40 DFAB Cc1ccc(F)cc1C(=O)NC1CCN(CCOC(C)C)CC1 81997173 JGNCFINFSMNHMA-UHFFFAOYSA-N 322.424 2.753 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)c1nc2ccccc2s1 75155667 JDNSTRHHTNAYRV-SFHVURJKSA-N 324.405 2.860 0 40 DFAB CN(Cc1cccs1)c1ncnc2c1cnn2-c1ccccn1 41529237 CHCUXXRXYVSARE-UHFFFAOYSA-N 322.397 2.908 0 40 DFAB COc1ccc(NC(=S)NCCOc2ccc(C)cc2)cn1 225563744 NPPCHJGCWQOOBO-UHFFFAOYSA-N 317.414 2.764 0 40 DFAB CC[C@@H](C)NC(=O)COc1nn(-c2ccccc2)cc1Cl 227151883 QJRVJCQZNVVZOL-LLVKDONJSA-N 307.781 2.819 0 40 DFAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCCCc1cn[nH]c1C 96484017 VQXVDEKZNWAGIO-UONOGXRCSA-N 310.467 2.576 0 40 DFAB O=C(c1ccco1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96105976 QXCNOYWWLSKJAA-OAHLLOKOSA-N 319.401 2.718 0 40 DFAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCCOC2)cc1 95409894 GWLXOEOAEZAQMO-CZUORRHYSA-N 313.401 2.785 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)c1cc2n(n1)CCCO2 90583638 ALOQFJOZWCJBJW-UHFFFAOYSA-N 311.263 2.937 0 40 DFAB COCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1NC1CC1 96466403 LAFJIZBUFNTRGK-SNVBAGLBSA-N 312.797 2.904 0 40 DFAB CN1C(=O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1c1cccnc1 583616531 IDYKASNTKATUGV-WBVHZDCISA-N 315.804 2.797 0 40 DFAB CC[C@@H](NC(=O)c1ccc(C(=O)O)cc1)c1c(C)nn(C)c1C 236960890 VWDFYHBMJOJURU-CQSZACIVSA-N 315.373 2.616 0 40 DFAB Cc1ncccc1C(=O)Nc1cccc(C[S@@](C)=O)c1C 96408322 IGGVGPGBWXPASC-NRFANRHFSA-N 302.399 2.829 0 40 DFAB CCn1c(C)nnc1CSc1cc(F)ccc1C(=O)OC 96490410 QBVDVRYRDANJIN-UHFFFAOYSA-N 309.366 2.824 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1 96192059 LWTKSDRUALUWKW-GASCZTMLSA-N 310.397 2.956 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC(O)(c2ccccn2)CC1 248012216 WBMHYHBRHHDYRR-HRCADAONSA-N 314.429 2.718 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](c2ccnc(O)n2)C1 257294243 QTENUQCQQDBIHD-INIZCTEOSA-N 323.396 2.691 0 40 DFAB COc1cc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)ccc1F 257311891 ULLDZYOSJHIVNC-IRXDYDNUSA-N 309.381 2.604 0 40 DFAB COc1ccc([C@@H](NC(=O)[C@H](C)c2cccs2)C(=O)O)cc1 262052013 AELJSANSPWAUCK-QMTHXVAHSA-N 319.382 2.802 0 40 DFAB CCNC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 55340347 UNUURDMUJUEWSV-UHFFFAOYSA-N 305.378 2.600 0 40 DFAB CC[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1OC 58296289 KAPYMMIWNNLWAQ-HIFRSBDPSA-N 300.406 2.674 0 40 DFAB CC(C)COc1ccc(CNC(=O)Nc2nncs2)cc1 56527974 DLHOUOIHXGOTKG-UHFFFAOYSA-N 306.391 2.895 0 40 DFAB CCN(C)[C@@H](C(=O)N(C)CCc1ccncc1)c1ccccc1 69512043 GCFDQEQNLHCRHP-GOSISDBHSA-N 311.429 2.776 0 40 DFAB Cc1cc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)no1 70785298 KYSDXJFHNYFSTQ-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB CCNc1ncc(C(=O)N(C)CCc2ncc(C)s2)s1 95438913 WQHLQEHPYXUPEV-UHFFFAOYSA-N 310.448 2.655 0 40 DFAB COc1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 5390672 YJNDKDXWDDHEMH-INIZCTEOSA-N 308.337 2.589 0 40 DFAB O=C(c1nccs1)C1CCN(C(=O)Cc2ccsc2)CC1 12157159 JINCSSWGUAINSP-UHFFFAOYSA-N 320.439 2.869 0 40 DFAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OC(C)C 6345611 ULNJKVKUVSWAEY-IZZDOVSWSA-N 324.764 2.658 0 40 DFAB CCCc1nnsc1C(=O)N1CCC[C@@H](c2n[nH]cc2C)C1 607853837 GPKDBTWXJDIKDG-LLVKDONJSA-N 319.434 2.542 0 40 DFAB Cc1cscc1C(=O)NCCOc1ccc(C(=O)O)cc1 537479354 ITDZEDVZCWXZLB-UHFFFAOYSA-N 305.355 2.564 0 40 DFAB Cc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nccc2n1 1888888201 UEFOFOLPKROBFE-UHFFFAOYSA-N 321.428 2.981 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(Cc2nc(C(C)C)no2)C1 1889092460 LWURIQHUNJHSBG-CYBMUJFWSA-N 302.378 2.550 0 40 DFAB COc1ccc(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 30029032 ZVYKFQIBJJOHEQ-LJQANCHMSA-N 324.424 2.753 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CCn2nc3c(c2C1)CCC3 244970213 HOEISBLEWABUEY-UHFFFAOYSA-N 306.369 2.509 0 40 DFAB COc1cccc(CN2CCCC23CCN(C(C)=O)CC3)c1 2055819438 UQPSOLOXDUYCLN-UHFFFAOYSA-N 302.418 2.672 0 40 DFAB COCCN1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775971781 MOJJSRHNZSMTOX-LBPRGKRZSA-N 318.339 2.838 0 40 DFAB Cc1cc2ncc(NC(=O)Cc3ccccc3Cl)cn2n1 206736784 PEXVMDSHUWSNPU-UHFFFAOYSA-N 300.749 2.872 0 40 DFAB CN(Cc1ccccc1)C(=O)CSC(=S)N1CCCC1 72806977 QEKQJCFRUAYAJC-UHFFFAOYSA-N 308.472 2.759 0 40 DFAB O=S(=O)(c1ccccc1)C12[C@H]3CCC[C@H]1C32Br 100707186 BPGSJKMVNCYDEN-ZSVAQUKISA-N 313.216 2.776 0 40 DFAB Cn1cc(C(=O)N(CCC(N)=O)c2ccccc2)c2ccccc21 73026106 PPPQGXCUCGUWFT-UHFFFAOYSA-N 321.380 2.701 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3O2)c1 30274055 WRDHSPPVAVMUAE-SGTLLEGYSA-N 324.380 2.826 0 40 DFAB CCN(CC)CCSc1nnc2c3ccccc3n(C)c2n1 175632 UUBUHKHGPXUWIP-UHFFFAOYSA-N 315.446 2.950 0 40 DFAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)cc2)o1 40526562 KKNJPURJDLOQSO-NSHDSACASA-N 322.386 2.874 0 40 DFAB Cn1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)cc1=O 52035464 FNSORAAPOFVASO-QGZVFWFLSA-N 300.377 2.732 0 40 DFAB NC(=O)[C@H](CNc1ncnc2ccccc12)Cc1ccc(F)cc1 69738672 CXQCAGPXKAQJPL-ZDUSSCGKSA-N 324.359 2.525 0 40 DFAB Cc1cc(N2CCN(Cc3cc(C)on3)CC2)nc(C(C)C)n1 32743561 NMOPQAYVVBTINV-UHFFFAOYSA-N 315.421 2.527 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2nc(O)oc2c1 41261600 GXKUVXJUXFARHP-UHFFFAOYSA-N 322.317 2.614 0 40 DFAB C1CC[C@H](CSc2nnc(NC[C@@H]3CCCO3)s2)OC1 21737808 QOUCLPYEQPCENM-WDEREUQCSA-N 315.464 2.790 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)c(F)c1 6113468 AYSYSPPUVASTFX-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c2ccc(F)cc2n1 97197937 NWHBPPKRNAFTNG-ZDUSSCGKSA-N 324.359 2.624 0 40 DFAB CS(=O)(=O)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 53698616 MYMYSSMMBBJFLN-HNNXBMFYSA-N 307.440 2.875 0 40 DFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccn1 807475 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COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2)CC1=O 50153196 VQXRPIUWSVVFPI-CYBMUJFWSA-N 310.353 2.687 0 40 DFAB CC[C@H](C)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C 55598358 WZUIPDXGZIOCBB-DZGCQCFKSA-N 320.433 2.767 0 40 DFAB Nc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1 1402818 ZIMVSSZPVIWBRC-UHFFFAOYSA-N 311.366 2.559 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)cn1 71796932 VXAZWTMBTRDNHM-MRXNPFEDSA-N 323.400 2.593 0 40 DFAB C[C@H](NC(=O)NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 52685840 WKAPSOJVYLLDDE-LBPRGKRZSA-N 324.446 2.783 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@H](c2ccsc2)N(C)C)s1 25815220 LZWDTUFHKXKOKF-GFCCVEGCSA-N 309.460 2.854 0 40 DFAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 3216378 JWWJWAIILINNJI-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)CC1CCOCC1 96428048 ZLRUOUWICZWFDH-WMLDXEAASA-N 323.458 2.621 0 40 DFAB CSc1ccc(-c2noc(CN3CCCN(C)CC3)n2)cc1 57427687 MFYFYALENNNFAQ-UHFFFAOYSA-N 318.446 2.596 0 40 DFAB O=C(COc1cccc(Oc2ccccc2)c1)N1CCOCC1 3229632 NQRTXUKGPNIAKG-UHFFFAOYSA-N 313.353 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321.446 2.509 0 40 DFAB CN1CCC[C@@H]1c1cnc(N2CC3(CCCCC3)OC2=O)cn1 1848356457 MGEIHCBAJRQQEI-CQSZACIVSA-N 316.405 2.903 0 40 DFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(=O)oc2ccccc21 1776001343 NVYZYHWEOCJZJG-OKILXGFUSA-N 312.369 2.694 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCO1 24014559 BDZHUTYKVIDGNE-SECBINFHSA-N 303.189 2.653 0 40 DFAB Cc1c[nH]nc1[C@H]1CCN(C(=O)c2ccc(C(C)C)nc2O)C1 2037684442 LWEXVFMIAORKIH-LBPRGKRZSA-N 314.389 2.572 0 40 DFAB CCOC[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2cn(C)nc21 1565548967 KAXMOYPKHCGRAZ-YJBOKZPZSA-N 317.433 2.629 0 40 DFAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCCC1 1332226 HXPKWGWVBSSQPB-UHFFFAOYSA-N 317.389 2.997 0 40 DFAB NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCC2 5268335 CDYSHEDLBPVQJO-UHFFFAOYSA-N 318.373 2.656 0 40 DFAB S=C1SCN(Cc2ccccn2)CN1Cc1ccco1 23153923 DDINDQCBKGHLFJ-UHFFFAOYSA-N 305.428 2.926 0 40 DFAB O=C(Cc1ccsc1)NCCn1cc(-c2ccoc2)cn1 575616208 XUQZQXZQVFMNCC-UHFFFAOYSA-N 301.371 2.564 0 40 DFAB CC(=O)Oc1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 20095255 OUCBSMSNQWPDLJ-CYZMBNFOSA-N 301.342 2.538 0 40 DFAB COc1ncccc1CNC(=O)c1ccccc1OC(F)F 31321753 IJMLIIQUWGRPSH-UHFFFAOYSA-N 308.284 2.622 0 40 DFAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3cccnc3)c2c1 31819822 YYTCRSLWACCEOF-UHFFFAOYSA-N 321.336 2.977 0 40 DFAB COC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 20616575 LLJNGSJHXQIHMF-SCZZXKLOSA-N 315.251 2.923 0 40 DFAB CC(C)=CC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983782 SJPSLFALRASHOR-UHFFFAOYSA-N 324.783 2.730 0 40 DFAB CC(C)CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 46215033 WEXIPBQQVOHPEG-KRWDZBQOSA-N 316.445 2.582 0 40 DFAB O=C([C@H]1CCCc2ccccc21)N1CCC(n2cncn2)CC1 60293733 JSJYHEHGRSGDCE-KRWDZBQOSA-N 310.401 2.562 0 40 DFAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H](n2ccnc2C)C1 69976589 YQZRDGDKQOOTFA-LBPRGKRZSA-N 322.796 2.548 0 40 DFAB Cc1ccc(C)n1CC(=O)OCC(=O)NC1CCCCCCC1 84191308 HLAWSEQVMOXVFT-UHFFFAOYSA-N 320.433 2.877 0 40 DFAB CCOC(=O)c1nn(-c2cccc(OC)c2)c(C)c1C(C)=O 1016747 KSIIWTCWRJTNHB-UHFFFAOYSA-N 302.330 2.569 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NC2CC2)c(C)c1 32777319 SUPOSAFQQXTJMD-JEJOPICUSA-N 312.413 2.586 0 40 DFAB CCn1nnc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc21 32722175 PSLSHGDMRFWIPT-CQSZACIVSA-N 322.368 2.705 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNc1ccccc1C 491465 CVGFIWZMJRLQHL-INIZCTEOSA-N 314.341 2.798 0 40 DFAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 6951196 AFMRLCMSGLAPIV-YRNVUSSQSA-N 324.764 2.660 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@@H](CC(C)C)c3ccccc3)nn12 21835510 OQAOGKFBKHLETG-HNNXBMFYSA-N 323.400 2.950 0 40 DFAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)cc1 535374 NFRASJJYIYVDEC-AWEZNQCLSA-N 304.371 2.699 0 40 DFAB C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccn1 97019072 FPKXCOPDJSZQOK-ZIAGYGMSSA-N 303.406 2.934 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCCc3ccccc3)nn2)cc1C 23127094 WSVPJWIUUUAXAW-UHFFFAOYSA-N 320.396 2.857 0 40 DFAB COCc1noc([C@@H](C)Sc2nc(-c3cccs3)n[nH]2)n1 97085317 ADPMYIZDSVCBLJ-SSDOTTSWSA-N 323.403 2.916 0 40 DFAB CCN(CC)CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C 47705242 HOHAMQPXDGLUEF-UHFFFAOYSA-N 306.454 2.587 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)c(F)c1 76082335 DXMJEWMDOSVHQC-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C(=O)[C@@H]2CCCN2C1=O 25150748 NVJIMBCTASMTIT-AWEZNQCLSA-N 311.341 2.577 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1F 56026270 OVNFUOWFZGAOFK-UHFFFAOYSA-N 323.343 2.514 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccs1 57756143 OBAJWRRSLZQNPY-UHFFFAOYSA-N 303.309 2.779 0 40 DFAB NC(=O)c1ccc(Cl)cc1OCC(=O)NC1CCCCCC1 58191330 UCBRZMXIIDHJKM-UHFFFAOYSA-N 324.808 2.657 0 40 DFAB CSCC[C@H]1NC(=S)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 107337007 DNMMSHUNZTXJCT-WUHRBBMRSA-N 312.504 2.651 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 48281920 DYPRVMHFHUCMNU-RYUDHWBXSA-N 318.348 2.757 0 40 DFAB Cc1cccc(NC(=O)NC2(c3noc(C)n3)CCCC2)n1 97142633 VPOHWEVEHYMZFI-UHFFFAOYSA-N 301.350 2.672 0 40 DFAB Cc1noc(C)c1CN(C)[C@@H](C)C(=O)N1CCc2ccccc21 78953897 NESDFQSKNKGEMR-ZDUSSCGKSA-N 313.401 2.701 0 40 DFAB CCN(C(C)=O)c1nc(CN2CCO[C@H]3CCCC[C@@H]32)cs1 44975593 HUHKLLWERFYBFH-GJZGRUSLSA-N 323.462 2.659 0 40 DFAB COC(=O)c1cc2ccccc2cc1NC(=O)COCC1CC1 58342622 FHSWFLPGULQHSW-UHFFFAOYSA-N 313.353 2.992 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1ccc(-n2cccn2)cc1 10567691 XFPWLMIFWYODPL-UHFFFAOYSA-N 303.321 2.669 0 40 DFAB CSCCC(=O)Nc1ccccc1I 3345277 YTMBGZDKJWNQEX-UHFFFAOYSA-N 321.183 2.983 0 40 DFAB CCOC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 58634224 AHMRBJJCZZLPRZ-UHFFFAOYSA-N 320.395 2.750 0 40 DFAB CCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 2345154 BRGNMZITOZOFIA-UHFFFAOYSA-N 322.744 2.877 0 40 DFAB biogenic COc1ccc(CNC(=O)c2nc(-c3ccccc3)oc2C)cn1 11004274 JCRIFYQDYOHZPL-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccccn1 28781314 KODMTNPPPRCUJM-VIFPVBQESA-N 306.163 2.730 0 40 DFAB CC1CCC(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 11240096 MYFXETGILIJTRD-MMWSSPAHSA-N 304.365 2.946 0 40 DFAB O=C1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)c2ccccc2N1 12754057 VKOPOQAGCZELNX-SOFGYWHQSA-N 320.348 2.620 0 40 DFAB Cc1ncc2c(n1)CCN(CCCc1nc3ccccc3o1)C2 48366673 YIWUOOAKZYMYJI-UHFFFAOYSA-N 308.385 2.917 0 40 DFAB CCOc1cc(F)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 48383541 SDCBULDXAHPAPW-NWDGAFQWSA-N 307.321 2.830 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3400806 KFNVPVFIVSZVBX-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 13170327 FPYVMZIEAQOQHI-LLVKDONJSA-N 315.291 2.571 0 40 DFAB O=C(c1ccncc1)N1CCC(Nc2nc3ccccc3o2)CC1 63737123 IYDLXJUPOHRPAZ-UHFFFAOYSA-N 322.368 2.940 0 40 DFAB O[C@@H](c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccccc1 19809102 JXTCBBRMDNXMEA-MOPGFXCFSA-N 315.388 2.975 0 40 DFAB Cc1ccc(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)cc1 64794788 HPQZWOMKKBEYBZ-UHFFFAOYSA-N 323.352 2.755 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccccc3)no2)c(=O)[nH]1 65467367 CINJPAQONLPYNU-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB CNC(=O)c1ccccc1NCc1nc(-c2ccsc2)no1 71123189 QAJCKIZAAJSXDF-UHFFFAOYSA-N 314.370 2.770 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 5379010 GPPYVEJHTZOVEE-UHFFFAOYSA-N 313.309 2.651 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2O)C1 14182798 YRNCBYKQFOILCI-GFCCVEGCSA-N 320.389 2.978 0 40 DFAB Cc1nc(CNC(=O)NC[C@H]2CCO[C@H]2C(C)C)sc1C 96455161 CRMJYUVBORXWIX-OCCSQVGLSA-N 311.451 2.620 0 40 DFAB COc1ccccc1NC(=O)COC(=O)Cc1ccc(C)cc1 7069643 SERYAGSQYYWNSO-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB COCCn1cc2c(n1)[C@@H](NC(=O)C1CCCCC1)CCC2 96002899 RMONVEJCOPENSD-HNNXBMFYSA-N 305.422 2.603 0 40 DFAB CN(C)c1ccc(NC(=O)COC(=O)c2ccsc2)cc1 7149666 XYRBNYBOHMIXAW-UHFFFAOYSA-N 304.371 2.610 0 40 DFAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CC[C@H](O)C1 96009291 RWFUIQKDSCVUQI-ZDUSSCGKSA-N 323.824 2.929 0 40 DFAB CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 7260689 LJRLVHVWMWCHBJ-UHFFFAOYSA-N 318.398 2.514 0 40 DFAB Cc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)o1 7974921 WHFGDQBUSYQTHH-CYBMUJFWSA-N 321.421 2.567 0 40 DFAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCSc2ccccc21 9313514 XGJLECCCYZACSP-CYBMUJFWSA-N 324.409 2.785 0 40 DFAB Cc1ccccc1OCCCN[C@@H]1CCCCC[C@H]1C(N)=O 97165636 FXSMIHWXVIGVIM-HZPDHXFCSA-N 304.434 2.788 0 40 DFAB CC(C)c1ccc(OCCNC(=O)N2CC[C@H]([C@H](C)O)C2)cc1 97107848 ABZFLTOSDOAGBD-HOCLYGCPSA-N 320.433 2.601 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccsc3)no2)CN1CC(F)(F)F 71890292 RYVSRLXHQDMLIC-MRVPVSSYSA-N 317.292 2.676 0 40 DFAB Cc1ccsc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 71847702 MKNZTGLXMOAVIQ-AWEZNQCLSA-N 314.410 2.587 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)Cc2csc(C)n2)c1 71865671 HUMQWYGYRCBAQO-OAHLLOKOSA-N 318.446 2.580 0 40 DFAB CC(C)(CNC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O 72011153 HIFKSXMBPGPXOL-UHFFFAOYSA-N 312.369 2.720 0 40 DFAB CC(C)Cc1noc(CN2C(=O)CSc3ccccc32)n1 95394443 XKRZDMPWAIUWRT-UHFFFAOYSA-N 303.387 2.907 0 40 DFAB CN(C)C(=O)CCOC(=O)c1conc1-c1ccc(Cl)cc1 95404937 BGRDBXNNYLTJPZ-UHFFFAOYSA-N 322.748 2.630 0 40 DFAB CN(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)C1CCC1 73663344 ITGKTEUFNFMBSN-MRXNPFEDSA-N 315.417 2.544 0 40 DFAB C[C@@H](O)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 95979921 BJFLVPWYOPRIMT-SNVBAGLBSA-N 313.332 2.612 0 40 DFAB C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CC1 95990807 UHVBVZGORISKBS-ZDUSSCGKSA-N 301.434 2.594 0 40 DFAB COCc1noc(CN2CCC[C@H]2Cc2cccc(F)c2)n1 95992448 DHOGVFLHKAHAPS-AWEZNQCLSA-N 305.353 2.562 0 40 DFAB C[C@@]1(NS(=O)(=O)CC[C@H]2CCCO2)CCCc2ccccc21 95966102 PBNFELRDPATHNQ-NVXWUHKLSA-N 323.458 2.727 0 40 DFAB CN(Cc1nccn1C(F)F)C(=O)NC[C@]1(C)CCCS1 89919361 ZZBUYWOQKJHUSO-ZDUSSCGKSA-N 318.393 2.705 0 40 DFAB CCOC(=O)c1cnc2ccc(C)cc2c1NCC[S@@](C)=O 89984901 SDLDBQWOLJHCJA-QFIPXVFZSA-N 320.414 2.510 0 40 DFAB CN(C)Cc1ccc(CNC(=O)NC[C@@]2(C)CCCS2)cc1 89919382 LNJROBAWASHFGK-QGZVFWFLSA-N 321.490 2.833 0 40 DFAB CCC(CC)n1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)n1 89943247 BONNNNSGTLFDTD-HNNXBMFYSA-N 321.421 2.612 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@H](C)O1 89948309 GYTANMXIKCBXFD-XJKSGUPXSA-N 313.401 2.944 0 40 DFAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1ccco1 75583849 AZEKADASVLXEAB-GUTXKFCHSA-N 311.337 2.514 0 40 DFAB Cc1ccc2oc(C(=O)NCc3csc(C)n3)cc(=O)c2c1 32624401 DDCMJRJRKYMHAC-UHFFFAOYSA-N 314.366 2.796 0 40 DFAB O=C(Cc1ccc(F)cc1F)N1CCc2ccccc2[C@@H]1CO 185717664 ZVKWBNSSHCZBST-KRWDZBQOSA-N 317.335 2.626 0 40 DFAB CCC(=O)N1CCN(c2c(Cl)ccc3sc(N)nc23)CC1 72230121 JAEOKYKSJRXNTK-UHFFFAOYSA-N 324.837 2.591 0 40 DFAB CC[C@]1(C)CN(C(=O)NCc2nc(C3CC3)cs2)CCO1 188213283 QLXAHICWAWFEHQ-OAHLLOKOSA-N 309.435 2.731 0 40 DFAB Cc1cccc(CCNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 78502206 ALUITKGWPLLSJI-ZDUSSCGKSA-N 324.380 2.687 0 40 DFAB CCOCCS[C@@H]1CCN(c2c(F)cccc2F)C1=O 88501042 SLCJUFOVWQAILR-GFCCVEGCSA-N 301.358 2.840 0 40 DFAB Cc1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 225269604 OCRZPLMHXQBXAO-UHFFFAOYSA-N 301.371 2.910 0 40 DFAB COCC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 44442056 LFTBWIRDDCMRMY-UHFFFAOYSA-N 301.390 2.599 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NCc2ccncc2)c1 225334006 RATWIWOKISEYCG-UHFFFAOYSA-N 315.398 2.745 0 40 DFAB Cn1nccc1C1CCN([C@H](C(=O)O)c2ccccc2F)CC1 569370575 HTHDMPUWFDXYHI-INIZCTEOSA-N 317.364 2.565 0 40 DFAB CC(=O)NCCNC(=O)c1sc2cccc(C)c2c1Cl 40050456 TXFUAJRWFVVYRQ-UHFFFAOYSA-N 310.806 2.729 0 40 DFAB Cc1c(Br)ccc(NC(=O)NC[C@@H](C)CO)c1F 194212523 PCGMHAKUUXJHLI-SSDOTTSWSA-N 319.174 2.647 0 40 DFAB CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(O)cc1 195563069 XTBNERXPLAXLCR-WCJKSRRJSA-N 323.458 2.521 0 40 DFAB CN(C)CC(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 135248828 JEXGNYSNKHRAOK-UHFFFAOYSA-N 322.368 2.922 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1C 225884223 NIIKOCXIDWURDP-INIZCTEOSA-N 310.394 2.559 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1 96059216 PEHSVSHQGQOVEW-OAHLLOKOSA-N 303.381 2.691 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 96192541 ZIWJNEMDZOAJFH-QGZVFWFLSA-N 312.373 2.733 0 40 DFAB O=C(O)C1CCN(c2cc(C(F)(F)F)nc(C3CC3)n2)CC1 96516930 XXNKUULMVHUNHM-UHFFFAOYSA-N 315.295 2.674 0 40 DFAB CC[C@H](CNC(=O)c1ccncc1F)Oc1ccccc1F 96451730 CUPNAFGUKBTAKA-LLVKDONJSA-N 306.312 2.947 0 40 DFAB CCc1nc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)no1 331542766 HVYLIKDEUGBNRS-IINYFYTJSA-N 303.337 2.994 0 40 DFAB Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)nn1 333994614 MLXMLNGMSAKDFR-QGZVFWFLSA-N 323.396 2.779 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)NC[C@@H]1CCC[C@@H]1O 96435038 YQYZCYDRNOKVIE-HZMBPMFUSA-N 311.813 2.689 0 40 DFAB CCC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCF 96243491 SRMDCFIRNKIQLX-UHFFFAOYSA-N 306.381 2.873 0 40 DFAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1ccco1)C2 96059853 JQRIPIPBGRXKSH-OAHLLOKOSA-N 301.390 2.539 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)n1 230110788 WCJCBZLXCXTSMP-JHJVBQTASA-N 322.409 2.641 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(OC(F)F)cc1 96433742 AFTKLEBDYFPOQQ-CABZTGNLSA-N 300.305 2.571 0 40 DFAB CCC(=O)N1CC[C@H](NC(=O)Nc2c(C)cccc2Cl)C1 97095243 DWVSXYVGOZONIT-NSHDSACASA-N 309.797 2.781 0 40 DFAB CCCN(CCC)c1nn(-c2ccccc2OC)nc1C(=O)O 256045924 BSSWUUOPZZAZIM-UHFFFAOYSA-N 318.377 2.601 0 40 DFAB c1cncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1 253601452 ASQDERQBHWPSHN-YJBOKZPZSA-N 321.428 2.734 0 40 DFAB C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2noc3ccccc23)[C@H]1C 529516766 JUXGUWBRGHZWHO-PVTKRXDGSA-N 302.374 2.546 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccnc(O)n1 257248578 JEHIZZOHMHWZLW-QGZVFWFLSA-N 323.396 2.577 0 40 DFAB O=C1[C@H](C2CCNCC2)CC=CCN1Cc1ccc(F)cc1 257261436 LHHJMFFIUKSKIC-KRWDZBQOSA-N 302.393 2.730 0 40 DFAB O=C(Cc1cccnc1)Nc1ccc(Nc2ncccn2)cc1 390835443 NWIKIUVGLIILKD-UHFFFAOYSA-N 305.341 2.796 0 40 DFAB CC(C)CN1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099879 OOJBAIRBFLHDNA-WMZOPIPTSA-N 308.466 2.669 0 40 DFAB CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 56468086 LIHZAVWWKHQTGX-UHFFFAOYSA-N 308.447 2.905 0 40 DFAB CCn1ccnc1CN1CCN([C@@H](C)c2ccc(F)cc2)CC1 69528301 NDLSGHIWGAVSQB-HNNXBMFYSA-N 316.424 2.921 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1cc(F)cc(Br)c1 93996209 JRNOLCSCPVIPNU-LLVKDONJSA-N 302.143 2.637 0 40 DFAB O=C(COc1cc(Cl)ccc1Cl)Nc1nncs1 11055329 PUFAHQJEMZFBSA-UHFFFAOYSA-N 304.158 2.862 0 40 DFAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC 5002905 LSIUGJCAKOZWGF-OAHLLOKOSA-N 318.373 2.666 0 40 DFAB Cn1nccc1C(=O)N[C@H](Cc1cccs1)c1nccs1 12225997 BKVXMQYIBSXYKV-LLVKDONJSA-N 318.427 2.652 0 40 DFAB CN(CCN1CCCCC1)C(=O)C1(c2ccc(F)cc2)CC1 12361005 TVEAWFSKUJUWSQ-UHFFFAOYSA-N 304.409 2.802 0 40 DFAB Cc1ccsc1/C=C1\NC(=S)N(Cc2ccco2)C1=O 15254038 LSXXAXKFNHMKOI-XFFZJAGNSA-N 304.396 2.907 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N(CC)CC 17047542 IIAFWZHOVHOMHU-FZKCQIBNSA-N 306.450 2.552 0 40 DFAB c1cc(CNC2CCC3(CC2)OCCO3)cc(OC2CCC2)n1 161730089 WOBPPFIZWIEZIJ-UHFFFAOYSA-N 318.417 2.788 0 40 DFAB CC1(C(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)CCCC1 577497063 WZMVNQGVOONGPK-GOSISDBHSA-N 301.386 2.822 0 40 DFAB Cc1c(CN2CCOC[C@@H]2c2cc[nH]n2)[nH]c2ccc(F)cc12 1848353880 PHSJEBPDEWBVOT-QGZVFWFLSA-N 314.364 2.912 0 40 DFAB Cc1cc(OCC2CCN(C(=O)[C@@H]3CCCCO3)CC2)ccn1 1775995439 WBOAKQBJZSGWDB-KRWDZBQOSA-N 318.417 2.577 0 40 DFAB c1cnc(OC[C@@H]2CCCN(c3nnc(C4CC4)s3)C2)nc1 1776000842 MOWWTARJABNIPV-LLVKDONJSA-N 317.418 2.501 0 40 DFAB CCOCCN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 2037658282 AQVFCGHWSRILFI-MRXNPFEDSA-N 302.418 2.695 0 40 DFAB O=C(O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1Cl 2475399 JRQLOYFQWOEYRB-NXEZZACHSA-N 307.733 2.718 0 40 DFAB CNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCC2 5055674 GEUZYJCIDDEVRC-UHFFFAOYSA-N 318.373 2.988 0 40 DFAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 5398121 OGOMGZJUENTAHH-UHFFFAOYSA-N 306.321 2.687 0 40 DFAB CCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 8584000 PQDGKFJRTABJJL-UHFFFAOYSA-N 300.402 2.931 0 40 DFAB CCc1nccn1CC1CN(c2ncnc3ccc(F)cc23)C1 2086889498 JYYUPGBLQLTIDH-UHFFFAOYSA-N 311.364 2.664 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cc(F)ccc1Cl 76195294 VJIJRLRHDCLADH-UHFFFAOYSA-N 304.730 2.885 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 40061869 OFOOSQBWNQGYOP-AWEZNQCLSA-N 314.385 2.892 0 40 DFAB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 100171722 VQFOGXGGJWPGIM-MKSNKDDYSA-N 305.333 2.673 0 40 DFAB COCCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 51128466 UGWTXNOMFHYCOO-UHFFFAOYSA-N 317.355 2.649 0 40 DFAB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccc1 101775413 DMPPNBPYKXXKHV-INIZCTEOSA-N 307.353 2.660 0 40 DFAB COCCNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 32633243 YZEVQXGHLCYNHD-UHFFFAOYSA-N 313.401 2.653 0 40 DFAB COc1ccc(C(=O)N2N=C(C)C[C@@]2(O)c2ccccc2)cc1 283756 ALLDWVYVSJYWGZ-GOSISDBHSA-N 310.353 2.762 0 40 DFAB Cc1c(C(=O)N2CCO[C@H]3CCCC[C@H]32)cnn1C(C)(C)C 46490964 NHZNXYFVSWRJOR-CABCVRRESA-N 305.422 2.730 0 40 DFAB COc1cccc(C2=Nn3c(nnc3C(F)(F)F)SC2)c1 1432720 DHRBWWPHWWNMFH-UHFFFAOYSA-N 314.292 2.664 0 40 DFAB Cc1ccccc1NC(=O)[C@H]1C=NN(c2ccc(F)cc2)C1=O 102293754 HNJXGWHXGNMJRD-CQSZACIVSA-N 311.316 2.721 0 40 DFAB Cc1nc(COc2ccccc2C(=O)N2C[C@H]3CC[C@H]2C3)no1 102384636 XMCBNXUCJDIKLX-STQMWFEESA-N 313.357 2.582 0 40 DFAB CN(C)[C@H](CNC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 32819412 UTNYBFZCIULIHS-QZTJIDSGSA-N 324.424 2.657 0 40 DFAB CCO[C@@]1(c2ccccc2)c2ccccc2S(=O)(=O)N1C 4991645 WSDAYLUWMKTDQO-INIZCTEOSA-N 303.383 2.558 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1COc2ccccc2O1 6309528 DRZZLHMFGUKXQN-SJKOYZFVSA-N 313.353 2.712 0 40 DFAB CCOc1ccccc1/C=C(\Sc1nnc(C)o1)C(=O)O 7603749 TWTZCDPFSKDBKC-WQLSENKSSA-N 306.343 2.995 0 40 DFAB CNc1cc2c(nn1)CCN(C(=O)[C@H]1CCCc3ccccc31)C2 71860146 RGNGSXAOPZHEEG-INIZCTEOSA-N 322.412 2.523 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1c[nH]c2ccccc2c1=O 22233935 YSXWVOVMWHDXGN-UHFFFAOYSA-N 308.293 2.509 0 40 DFAB Cn1ccc2c(C(=O)OCc3ccccc3C(N)=O)cccc21 76020537 HIRXJYBRHXZYFB-UHFFFAOYSA-N 308.337 2.634 0 40 DFAB CCN1CCc2nc(NC(=O)c3ccccc3OC)sc2C1 23802561 XFTHRFXYEAHEMM-UHFFFAOYSA-N 317.414 2.782 0 40 DFAB COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cn1 61720170 KQNAUDQVDVBKPI-UHFFFAOYSA-N 314.370 2.898 0 40 DFAB O=C(Nc1ccc(F)cc1F)N(CCO)Cc1ccccc1 24777188 IFEFIRWACFRCKJ-UHFFFAOYSA-N 306.312 2.991 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)c1cc3ccccc3[nH]1)C2 71864875 SBULNERIGSHTPJ-UHFFFAOYSA-N 309.373 2.539 0 40 DFAB Cc1cc(C)c2nc(S[C@H](C)C(=O)NC(N)=O)cc(C)c2c1 12532418 XVNZNKMHROEFLD-LLVKDONJSA-N 317.414 2.836 0 40 DFAB CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(OC)c1OC 3229838 VGUDFULLTZCCNW-CQSZACIVSA-N 322.449 2.944 0 40 DFAB CS(=O)(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 57931280 XTINFOZQNGUCPP-HNNXBMFYSA-N 311.353 2.798 0 40 DFAB Cc1cc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc12 10037697 NPTISBXYDNMKOL-CQSZACIVSA-N 317.414 2.855 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2nnc3ccccn23)CC1 110567741 VMBXCQZBWNJJOV-BPUTZDHNSA-N 324.428 2.872 0 40 DFAB CC[C@@](C)(NC(=O)c1ccccc1Br)C(=O)OC 58181395 GTDRUAWMVQQZNG-CYBMUJFWSA-N 314.179 2.521 0 40 DFAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(N)s1 10213989 LYLFEIMUNZVJQI-VIFPVBQESA-N 320.443 2.580 0 40 DFAB CC(C)[C@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 58344781 RDMGUYRLXSJOPR-OAHLLOKOSA-N 304.390 2.560 0 40 DFAB CCN(CC)c1ccc(C(=O)Nc2ccc(=O)n(CC)c2)cc1 58305481 GBEAXVBCCZASLM-UHFFFAOYSA-N 313.401 2.967 0 40 DFAB CC(C)C[C@@H](NC(=O)CN(C)c1cnccn1)c1cccs1 58304633 IUYDXQHBYIHGMB-CYBMUJFWSA-N 318.446 2.878 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)c1)NC(C1CC1)C1CC1 45867998 LCTBWXWBTZBQSU-UHFFFAOYSA-N 314.433 2.670 0 40 DFAB C/C=C(\C)C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 179372914 YBSPCSZAENUYBX-RUJPKEBESA-N 305.374 2.950 0 40 DFAB Cc1nc2ccccn2c1C(=O)C(=O)Nc1cc(F)ccc1F 3529948 FUIHIPPNDHJQMO-UHFFFAOYSA-N 315.279 2.742 0 40 DFAB COC(=O)c1ccc(N2CCSCC2)c(-n2cccc2)c1 8855479 MKNGNWQSYWEAIW-UHFFFAOYSA-N 302.399 2.817 0 40 DFAB c1coc(-c2n[nH]c(CCNc3ncnc4sccc34)n2)c1 71910609 PHIJKZZKGHKISN-UHFFFAOYSA-N 312.358 2.724 0 40 DFAB COc1ccc2oc(CN3CCC[C@@H](C(=O)N(C)C)C3)cc2c1 92647487 YGGVOIXFNZVTKK-CYBMUJFWSA-N 316.401 2.742 0 40 DFAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nccs1 4475880 VJVFUOJOSLODMB-UHFFFAOYSA-N 320.414 2.841 0 40 DFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)no1 14094859 HNKNXVDOICUTDN-UHFFFAOYSA-N 313.357 2.908 0 40 DFAB CCCc1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)n1CC 408637387 JQDQCUAYJQCVOQ-RWMBFGLXSA-N 322.478 2.647 0 40 DFAB CN(Cc1ccco1)C(=O)c1ccc2c(c1)NC(=O)CCS2 14200532 SWSFILRXIBSDKQ-UHFFFAOYSA-N 316.382 2.986 0 40 DFAB CC(C)Cc1nnc(NC(=O)CSC2=NCCS2)s1 4813612 HFZWPBATVPTCIK-UHFFFAOYSA-N 316.477 2.511 0 40 DFAB CC(C)(C)OC(=O)NCCCC(=O)NCCc1cccc(F)c1 7125103 VZUOAVSSUHUTCM-UHFFFAOYSA-N 324.396 2.789 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 7307990 XVWGWKDNIICHOH-LBPRGKRZSA-N 303.383 2.929 0 40 DFAB CC(C)c1nc(CN[C@@H](CO)c2ccc(Cl)c(F)c2)no1 96006512 ONEFCSQFAUHWGN-LBPRGKRZSA-N 313.760 2.809 0 40 DFAB Cc1cc(NC(=O)CSc2nc3ccccc3n2C)no1 9315660 YFFZMMSKRXWHCJ-UHFFFAOYSA-N 302.359 2.601 0 40 DFAB Cc1cccc(C)c1CNc1ccc(CNS(C)(=O)=O)cc1 91064096 ZGBQNLOLOZUXRX-UHFFFAOYSA-N 318.442 2.965 0 40 DFAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN(C2CC2)CC1 96402522 XPBDMDVPPJETNG-CVEARBPZSA-N 304.821 2.750 0 40 DFAB Cc1ccsc1CN(C(C)C)S(=O)(=O)N1CCCC1 69417413 HXNMYOGKGFSBKR-UHFFFAOYSA-N 302.465 2.608 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc1F 69418159 UOMANGSYBUFILA-CQSZACIVSA-N 320.408 2.759 0 40 DFAB Cc1nc(NC(=O)[C@@H](C)n2cccn2)ccc1Br 91507497 IETMPHRXIBBEQH-SECBINFHSA-N 309.167 2.549 0 40 DFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCCC(C)C)C2=O 17172540 RNBCYEIDXWUBQN-UHFFFAOYSA-N 316.401 2.534 0 40 DFAB Cc1ccoc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 69666790 TVRRMZQGLQAMTL-LBPRGKRZSA-N 306.312 2.875 0 40 DFAB COCc1nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)cs1 71830948 CPQLLUIDHMPIAJ-GFCCVEGCSA-N 307.375 2.563 0 40 DFAB COc1c(Cl)cc(C(=O)O)cc1I 26508503 BFCXETQQBNMRHL-UHFFFAOYSA-N 312.490 2.651 0 40 DFAB C[C@@H](C(=O)Nc1nc(Cc2ccccc2)cs1)n1cncn1 97086056 KSIWTTLWYYEXBH-NSHDSACASA-N 313.386 2.525 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72282105 WBUHYLZFGMTYJV-STQMWFEESA-N 318.446 2.869 0 40 DFAB Cc1c(C(=O)N[C@@H](CO)c2ccccc2)cnn1C1CCCC1 97233054 RXNVBAAKASXPNL-KRWDZBQOSA-N 313.401 2.770 0 40 DFAB Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)c(C)n1C1CCCCC1 78963670 MJFJDGGNYFMXBH-RCDICMHDSA-N 322.474 2.861 0 40 DFAB Cc1cnc2c(c1)N(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 95445566 IQCHWOWSOANJSU-UHFFFAOYSA-N 323.274 2.843 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 95423866 FVGVVEBIBAPGTD-DZGCQCFKSA-N 306.381 2.640 0 40 DFAB CO[C@@](C)(C(=O)NC[C@](C)(O)c1ccccc1)c1ccccc1 79021012 CTKZPKDRIOVONI-RBUKOAKNSA-N 313.397 2.572 0 40 DFAB COC(=O)[C@@H](C)CC(=O)Nc1nc2c(s1)CCCCCC2 79110293 MONGQKJRFIZZLD-JTQLQIEISA-N 310.419 2.940 0 40 DFAB O=C(NCCc1ccncc1)c1cccc(Nc2ncccn2)c1 79491073 MLYSVVAXYRXGGK-UHFFFAOYSA-N 319.368 2.588 0 40 DFAB C[C@H](N[C@@H]1CCOC1)c1ccc(NC(=O)c2ccncc2)cc1 95967987 UETWBNRSXBKMLS-SUMWQHHRSA-N 311.385 2.773 0 40 DFAB CC[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(F)cc1 95968151 CXHBHKHWDRHNRQ-SJORKVTESA-N 304.413 2.903 0 40 DFAB CSc1ccsc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 95977759 UKIYWEVXCVTTEZ-DGCLKSJQSA-N 305.424 2.858 0 40 DFAB COc1ccc(CN2CCO[C@@H](c3noc(C)n3)C2)c(Cl)c1 95964076 IHZDFGJJWQIQNL-CQSZACIVSA-N 323.780 2.614 0 40 DFAB C[C@@H](CC(=O)Nc1ncccc1O)C(=O)c1cccc(F)c1 74823649 CZWWFMNGSFTNDH-JTQLQIEISA-N 302.305 2.774 0 40 DFAB Cc1ccc([C@H](NC(=O)Cn2cc(C3CC3)nn2)C2CC2)cc1 89629779 CCFBZLDLHKIDKY-SFHVURJKSA-N 310.401 2.731 0 40 DFAB c1ccc([C@@H]2C[C@@H]2CNCc2cccnc2N2CCOCC2)cc1 89828033 AZYFDMNNWHJGKY-MOPGFXCFSA-N 323.440 2.812 0 40 DFAB O=C(/C=C/c1ccccc1F)Nc1ccc2c(c1)C(=O)NCC2 89809474 MCIDHPPRVGVLME-SOFGYWHQSA-N 310.328 2.764 0 40 DFAB CCO[C@@H]1C[C@H](NCc2c[nH]nc2-c2cccnc2)C12CCC2 89985991 BYGNURBFYQXLMW-JKSUJKDBSA-N 312.417 2.909 0 40 DFAB O=C(O)C[C@@H]1SC(=O)N(c2ccc(F)c(Cl)c2)C1=O 36635221 YLAXMUBTVKJURS-QMMMGPOBSA-N 303.698 2.522 0 40 DFAB Cc1cccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)c1 36070925 NQTIBMLEHQLLMD-GOSISDBHSA-N 320.392 2.577 0 40 DFAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](Oc2ccncc2)C1 120764762 HJBTUVVUOPCRGO-HNNXBMFYSA-N 318.323 2.582 0 40 DFAB COc1ccccc1CCNC(=O)[C@@H](C)OCc1ccccc1 32913859 QBLFEHCMRUUDGT-OAHLLOKOSA-N 313.397 2.959 0 40 DFAB Nc1ccc(N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 32186860 BTKDLKHPWNVGNO-HNNXBMFYSA-N 301.434 2.888 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cncnc3)C2)c1 72368334 ICQJXNMMTWVEJT-HNNXBMFYSA-N 311.385 2.716 0 40 DFAB CCC[C@@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)O 218755185 YTNWPJMNXNVDKE-MRXNPFEDSA-N 313.401 2.605 0 40 DFAB Cn1cc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cn1 78655923 XYYBIWNYHCVSIF-CABCVRRESA-N 303.793 2.536 0 40 DFAB COc1ccsc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 79310448 JKYYTTLFMMVXBO-CYBMUJFWSA-N 318.398 2.978 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCC[C@H](C)C2)cc1 46959353 YSLKZIJNYDLMAC-INIZCTEOSA-N 318.461 2.866 0 40 DFAB CC(C)Cc1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 41122114 PRDYNEOQKPWMMO-UHFFFAOYSA-N 314.389 2.683 0 40 DFAB Cc1cccnc1NC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225714428 UHLBFJGNPIVBKD-CYBMUJFWSA-N 315.398 2.922 0 40 DFAB COc1cccnc1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 527999636 XQOMKXAHJGHBQB-KGLIPLIRSA-N 303.406 2.683 0 40 DFAB O[C@@H]1CCCC[C@@H]1n1nnc(-c2ccccc2Br)n1 225463726 AZCCKVYEZLWCKN-NWDGAFQWSA-N 323.194 2.579 0 40 DFAB CC(C)C[C@@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)O 130724157 RYDIBUVDGHTOPH-HBNTYKKESA-N 309.328 2.971 0 40 DFAB COc1cccnc1NC(=S)NCCN(C)c1ccccc1 225572746 ZJNBPMNVSLKKOC-UHFFFAOYSA-N 316.430 2.513 0 40 DFAB COc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c(C)n1 96471154 VGWOQNNRYCIQKZ-VIFPVBQESA-N 304.350 2.886 0 40 DFAB COC(=O)c1ccc2c(c1)CN(c1ccccc1F)C(=O)CO2 96530220 JCHQXVCZHGTSFG-UHFFFAOYSA-N 315.300 2.538 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@](C)(O)c1cccs1 96417675 FPSPTFXNECWLNJ-AWEZNQCLSA-N 310.444 2.825 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)c1cnccn1 97233670 CFSZKRWNZLXKRJ-UHFFFAOYSA-N 321.178 2.923 0 40 DFAB C[C@@H](NC(=O)[C@H]1COCCN1)c1ccc(-c2ccccc2)cc1 97228940 LYXIHSYTHXUIAB-RDTXWAMCSA-N 310.397 2.519 0 40 DFAB O=C(OCc1ccsc1)c1ccc(N2CCNC2=O)cc1 96442692 FOIGRYFVNBEHJT-UHFFFAOYSA-N 302.355 2.635 0 40 DFAB O=C(N[C@@H]1CCCOC1)c1ccc(OCc2ccccn2)cc1 95401872 BNGYPGNGLKNYJX-MRXNPFEDSA-N 312.369 2.569 0 40 DFAB C[C@@H]1SCCN(CCN2CCCC2=O)[C@H]1c1ccccc1 96411372 RQZXDLQVWDPTKJ-WMLDXEAASA-N 304.459 2.787 0 40 DFAB COCC[C@@H](C)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455054 ZYUHKYQJEFSKBX-OAHLLOKOSA-N 319.449 2.722 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cncnc2)nc1 257297205 RGHVTMSTGRSJBG-GOSISDBHSA-N 316.364 2.956 0 40 DFAB Cc1cc(CC2CCN(S(=O)(=O)C3CCCC3)CC2)ccn1 257304329 SLBRLCMRQHQKMM-UHFFFAOYSA-N 322.474 2.917 0 40 DFAB Cc1cncc([C@@H]2CCCN2Cc2cnn3c(C)cc(C)nc23)n1 257238911 HNCDNQLXQLTADR-KRWDZBQOSA-N 322.416 2.782 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257229334 FXRWHGSZIUSUHB-AWEZNQCLSA-N 301.365 2.573 0 40 DFAB CC(=O)N1CCC(c2nccnc2-c2cnc(C)s2)CC1 257343041 ZRFOOWSKIDBBOB-UHFFFAOYSA-N 302.403 2.634 0 40 DFAB CCc1noc([C@H](C)N2CCN(Cc3ccccc3C)CC2)n1 42651868 CWIBOXKTQDOWTI-HNNXBMFYSA-N 314.433 2.819 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(Cc1cccc(OC)c1)C2 96064993 XNZDHVXTQNJYQQ-QZTJIDSGSA-N 305.418 2.713 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1nncn1C 46963158 VESUKVOTYLYDJQ-CMPLNLGQSA-N 319.434 2.657 0 40 DFAB CCOC(=O)c1cnc(Br)c(Br)c1 47202758 JBZFHUQLVRJVMC-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB in-vitro Cc1cccc(C2(C(=O)NCCCC(N)=O)CCCCC2)c1 49759219 HCJPNZPGLDJPFV-UHFFFAOYSA-N 302.418 2.579 0 40 DFAB CCn1cnnc1CNC(=O)CCCc1ccc(Cl)cc1 53405091 XWVMARJSMJIRGM-UHFFFAOYSA-N 306.797 2.591 0 40 DFAB COC(=O)[C@H](c1ccc(F)cc1)N(C)Cc1c(C)noc1C 72514283 SQBFBSKIXZGHSW-HNNXBMFYSA-N 306.337 2.777 0 40 DFAB O=C(NC1CCC(O)CC1)NC1(c2ccc(Cl)cc2)CC1 70057298 CECODFSCAGTVHN-UHFFFAOYSA-N 308.809 2.932 0 40 DFAB CCc1nc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cs1 89289951 RSEBLVIIYJUKLQ-IUODEOHRSA-N 321.490 2.832 0 40 DFAB O=C(N1CCc2ncncc2C1)C1(c2cccs2)CCCC1 96122746 UWJGRNPHLWRGCQ-UHFFFAOYSA-N 313.426 2.935 0 40 DFAB N[C@@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 95971153 NVPJBZSVTUKGLT-IEBWSBKVSA-N 324.424 2.752 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1ccc(O)cc1 1566304443 HBDMGBQLWMFAKB-INIZCTEOSA-N 322.368 2.501 0 40 DFAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CCCC1 12142063 UGVIVROYKDLAIA-CYBMUJFWSA-N 302.374 2.680 0 40 DFAB Cc1ccccc1NC(=O)NCCc1nc(-c2cccnc2)n[nH]1 13565324 GRAKMCSLSIPWSU-UHFFFAOYSA-N 322.372 2.539 0 40 DFAB O=C(N[C@@H](Cc1cccs1)c1nccs1)[C@@H]1CCOC1 19343262 OKZQMYSBVMAYDJ-PWSUYJOCSA-N 308.428 2.641 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 29077263 NJLZDARURSOFGH-NSHDSACASA-N 319.405 2.524 0 40 DFAB O=C(O)c1cccc2c1CCCN2C(=O)Cc1cccs1 37395643 QQKORRVFHIXNRC-UHFFFAOYSA-N 301.367 2.968 0 40 DFAB Cc1nnc(-c2cn(CC(=O)NC(C)(C)C)c3ccccc23)o1 15863541 CIDOMKMKSTUYJD-UHFFFAOYSA-N 312.373 2.914 0 40 DFAB O=C(NC[C@H]1COc2ccccc21)c1cccc(-n2cccn2)c1 345477848 DAUFEPRMKAYYRP-HNNXBMFYSA-N 319.364 2.778 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 40062394 LEGOQYNFUBRDBR-RGCMKSIDSA-N 305.422 2.832 0 40 DFAB O=C(c1cc(-c2ccco2)[nH]n1)N(Cc1cccnc1)C1CC1 30606254 NLZWNLUINNKUIT-UHFFFAOYSA-N 308.341 2.870 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2csc(C)n2)c1C 40488962 YDRNGGYNXSBABS-UHFFFAOYSA-N 305.403 2.572 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCCCSc1ccccc1 40489365 FRFYJHQAKYCVKZ-UHFFFAOYSA-N 303.431 2.949 0 40 DFAB Cc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)s1 31686900 DSMDIVWANAEAOG-VIFPVBQESA-N 303.387 2.741 0 40 DFAB O=C(NC[C@H](O)c1ccc(F)cc1)Nc1cc(F)ccc1F 40525761 JRLIUCKKOXMZJX-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccccn2)n1 40515977 CYTLMJRKLMRTIY-LBPRGKRZSA-N 302.378 2.788 0 40 DFAB O=C(Nc1ccccn1)c1ccc(NC(=O)C(F)(F)F)cc1 35234 ONODGCBYBJSKMJ-UHFFFAOYSA-N 309.247 2.835 0 40 DFAB C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1nncn1C 69567165 CKMURPYNVDXHOK-IUODEOHRSA-N 313.405 2.643 0 40 DFAB CC(=O)NCCn1c(C)cs/c1=N/c1ccc2c(c1)CCC2 102125564 QIJUEACFZKAIJZ-HTXNQAPBSA-N 315.442 2.715 0 40 DFAB CC(C)C(=O)NCCNC(=O)N[C@H](C)c1cc2ccccc2o1 37171438 KAXBZQVVIJAVMC-GFCCVEGCSA-N 317.389 2.565 0 40 DFAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)o1 69632026 PPRXNHOBSACLHO-UKRRQHHQSA-N 301.390 2.888 0 40 DFAB CCOC(=O)N1CCC(NC(=O)NCCC2=CCCCC2)CC1 32862755 WATHYIQXUHLCOX-UHFFFAOYSA-N 323.437 2.797 0 40 DFAB COC(=O)COc1cccc(NC(=O)c2ccc[nH]c2=S)c1 32830636 MPWNCGMDJAJUPK-UHFFFAOYSA-N 318.354 2.548 0 40 DFAB Clc1ccc(NC2=Nn3cnnc3SC2)cc1Cl 6480345 MSTSUZUNDUPFTP-UHFFFAOYSA-N 300.174 2.964 0 40 DFAB CCn1c(O)c(C(=O)Nc2ccccc2O)c(=O)c2ccccc21 6520105 NPOFOKBMWOFFOA-UHFFFAOYSA-N 324.336 2.685 0 40 DFAB COc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)N(C)C3=O)cc1 6747815 DIPJEOLEPCPIAE-KRWDZBQOSA-N 320.352 2.655 0 40 DFAB COC(=O)c1ccccc1-n1c(=S)[nH]c2ccccc2c1=O 2788005 VWBHDCKQFOAZGU-UHFFFAOYSA-N 312.350 2.835 0 40 DFAB CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1NS(C)(=O)=O 97079819 JONYLFMVBTZQAN-ZJUUUORDSA-N 316.398 2.818 0 40 DFAB O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1Cc1ccccc1 21916135 CVQDJWKXADKTGK-SFHVURJKSA-N 320.392 2.915 0 40 DFAB CNc1ncnc2c1cnn2-c1cccc(Br)c1 41474582 XKEWXLIIXQEYED-UHFFFAOYSA-N 304.151 2.620 0 40 DFAB COc1ccccc1NCC(=O)NC(=O)Nc1ccccc1F 8211129 VLZGHGHOKKQBDF-UHFFFAOYSA-N 317.320 2.595 0 40 DFAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 523948 AZLNLRIUCLTCDI-UHFFFAOYSA-N 317.805 3.000 0 40 DFAB COCCCNc1nc(C)nc2sc(C(=O)OC)c(C)c12 22341578 JUHGEUDWYHWUAE-UHFFFAOYSA-N 309.391 2.543 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 42162494 CDEYKBNSXRUQQK-GFCCVEGCSA-N 322.364 2.712 0 40 DFAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(C)C)CC1 22914625 IGEHAWQDZSTTSQ-UHFFFAOYSA-N 317.477 2.906 0 40 DFAB Cc1ccc(N2C(=S)N(C(=O)c3ccccc3)C[C@H]2O)cc1 1008763 HSIPLJUPFIEVMQ-OAHLLOKOSA-N 312.394 2.561 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 24463417 NSPUVUGZXSAZJQ-IUODEOHRSA-N 323.412 2.866 0 40 DFAB O=C(NCc1ccco1)c1cccnc1OCC(F)(F)F 24476641 ISDQHUWBNLVMCS-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1cc2c(F)cccc2s1 97197821 BNDXZEYINFWYRL-JTQLQIEISA-N 315.373 2.982 0 40 DFAB Cc1noc(CNc2cccc(C)c2C(=O)N2CCCC2)n1 55846140 FPHHWPMCVALUMM-UHFFFAOYSA-N 300.362 2.535 0 40 DFAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1 56084883 SVYZPARBDVBWBN-UHFFFAOYSA-N 318.258 2.937 0 40 DFAB O=C([C@H]1CCC[C@]12CCN(Cc1ccco1)C2)N1CC(F)(F)C1 108527146 DWVFJPVWQKEZIQ-GDBMZVCRSA-N 324.371 2.749 0 40 DFAB O=C(CSC1=NCCS1)Nc1cc(Cl)ccc1O 35670665 PMTQJRRBPIRACC-UHFFFAOYSA-N 302.808 2.820 0 40 DFAB CCOC(=O)c1c(NC(=O)c2cnc(C)cn2)sc(C)c1C 3222612 QBLFNHLATLIEKJ-UHFFFAOYSA-N 319.386 2.892 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C4CC4)n[nH]3)CC2=O)cc1 58152652 VIMCKOWJYLAXPK-ZDUSSCGKSA-N 324.384 2.587 0 40 DFAB COC(=O)CN(Cc1ccccc1)C(=O)Cc1ccccc1F 58183393 DOXCTXKMRIXWHM-UHFFFAOYSA-N 315.344 2.570 0 40 DFAB Cc1cc(NCc2cccc(OC(F)F)c2)n2ncnc2n1 58281855 LMFQUCWMTIKESM-UHFFFAOYSA-N 305.288 2.646 0 40 DFAB O=C(NCc1ccc(OC2CCCCC2)nc1)[C@@H]1CCCO1 58393916 ZFLPNNTWEZTVCT-HNNXBMFYSA-N 304.390 2.588 0 40 DFAB CN(C(=O)c1ccc[nH]c1=O)[C@H](c1ccccc1)c1ccccn1 58393044 PLTFKCSHEDPQEP-QGZVFWFLSA-N 319.364 2.632 0 40 DFAB CC1CCC(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 12750461 JOBUGWAMZQQYMN-UHFFFAOYSA-N 309.431 2.741 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCCO1 11417642 CXWBUKXLUGCRGF-CYBMUJFWSA-N 308.765 2.584 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C2CC2)CC1 62639996 YMHPNHCHIGRWFN-UHFFFAOYSA-N 323.440 2.701 0 40 DFAB CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2o1 3523435 OARXJUQXNHACFD-UHFFFAOYSA-N 307.375 2.544 0 40 DFAB Cc1ccc([C@H](CNCc2ccccn2)N2CCOCC2)s1 72254129 XSNMJRKGSHESJY-INIZCTEOSA-N 317.458 2.615 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2ccsc2)c(C)nn1C 72234281 QEVSIXMDAKTVGQ-LBPRGKRZSA-N 305.403 2.776 0 40 DFAB O=S(=O)(c1cccnc1)N(Cc1cccc(F)c1F)C1CC1 78398326 VUQQYOMRSZTTDQ-UHFFFAOYSA-N 324.352 2.713 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1 13300422 YRMWNKFPKJPNNT-UHFFFAOYSA-N 311.384 2.810 0 40 DFAB COc1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 4003181 HMMUUODVUCKTAH-UHFFFAOYSA-N 322.412 2.990 0 40 DFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1 5013589 FSTVEOSEGXSTSO-UHFFFAOYSA-N 324.745 2.575 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H](C)[S@](=O)Cc1cccc(OC)c1 64809967 DVHJEVUZTJNFMJ-QRQYBIJMSA-N 311.447 2.637 0 40 DFAB CSCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O 4205301 DLCLYUTWBTWFSL-RRHJKOLHSA-N 311.447 2.525 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2c(CO)nc3ccccc32)c1 6295288 IFXNYLAXYSSKQD-UHFFFAOYSA-N 309.369 2.784 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC1(Cl)Cl 14018634 ZPJINLQHJOGELP-VIFPVBQESA-N 317.172 2.786 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCO1 65549343 PYWOLQFJLRDNJS-CYBMUJFWSA-N 300.362 2.515 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 65591910 NGPRLWWONMVADU-MRXNPFEDSA-N 312.417 2.595 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)n1 72279967 FIGCEWGSZOOAJR-WBVHZDCISA-N 319.449 2.696 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCc2cn3ccccc3n2)c1 5643346 JPZQZAIPQYQWHG-UHFFFAOYSA-N 309.325 2.650 0 40 DFAB COCCN(Cc1ccco1)C(=O)N[C@H](C)c1csc(C)n1 72271597 KBCRTKFOUXODCT-LLVKDONJSA-N 323.418 2.964 0 40 DFAB O=C(NC1(c2nccs2)CCCC1)[C@H]1CCc2cn[nH]c2C1 80328267 YOLDBMQRGBPXBB-NSHDSACASA-N 316.430 2.557 0 40 DFAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc[nH]c1 68288331 NJIGYRAHJSULEO-UHFFFAOYSA-N 301.365 2.548 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC 7735613 UYOXLIFWEXXLHV-JTQLQIEISA-N 308.407 2.565 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCc1cn2ccccc2n1 7798880 SOAUBDJOXNJNQY-UHFFFAOYSA-N 315.760 2.683 0 40 DFAB CCc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 7724222 WNKBOZQCDXEZKA-UHFFFAOYSA-N 303.383 2.905 0 40 DFAB Cc1cc(COC(=O)c2ccccc2NC(=O)NC(C)C)no1 16534807 ULZUJLNWQIHNFJ-UHFFFAOYSA-N 317.345 2.870 0 40 DFAB O=C(O)c1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 8190938 GTXBUMWPXFUVAC-UHFFFAOYSA-N 324.336 2.986 0 40 DFAB O=C(NCc1ccc(OC2CCCCC2)nc1)c1csnn1 69437292 DNSZBEQQCDCLAE-UHFFFAOYSA-N 318.402 2.575 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)c1 69416161 RRWFTJXWCAPTEP-GFCCVEGCSA-N 322.796 2.548 0 40 DFAB Cc1csc(N2CCN(Cc3cnc(C)s3)C[C@@H]2C)n1 71863959 IZEQXQWKEDKFMG-NSHDSACASA-N 308.476 2.927 0 40 DFAB CSC[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 71908878 MVHXIOKXGDYTEN-GWCFXTLKSA-N 316.417 2.683 0 40 DFAB C[S@](=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 83990159 MFCHVOLKUBYHLG-OPAMFIHVSA-N 316.426 2.871 0 40 DFAB Cc1nc(C(C)C)sc1C(=O)NC[C@H]1CCN(C2CC2)C1 84062095 HWSXDPGMIQGEQW-GFCCVEGCSA-N 307.463 2.789 0 40 DFAB C[C@H](CO)NC(=O)c1cccnc1SCc1ccc(F)cc1 97392074 JMDVNIOGSVIAJK-LLVKDONJSA-N 320.389 2.624 0 40 DFAB O=C(O)c1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1 95389795 KGBNCNKYBZKDLB-UHFFFAOYSA-N 321.336 2.501 0 40 DFAB O=C(NCC(C1CC1)C1CC1)c1cccc(C2OCCO2)c1 95449847 OPMBSOPQSIPNCT-UHFFFAOYSA-N 301.386 2.898 0 40 DFAB CC(C)Oc1cccc(N2CCN(Cc3ccccn3)CC2)n1 95460594 LPOFGIDQPBEBBC-UHFFFAOYSA-N 312.417 2.586 0 40 DFAB C[C@@H]1C[C@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 79953427 OVVNCKWHYWMQLW-NVXWUHKLSA-N 314.429 2.850 0 40 DFAB c1ccc2c(c1)C[C@@H](c1nnc(NCc3cscn3)o1)O2 95992330 QWUNNXXCOYMXRX-LBPRGKRZSA-N 300.343 2.814 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc(F)cc1 95980140 SHUKIXYHSWXZCS-AWEZNQCLSA-N 318.352 2.771 0 40 DFAB Cc1nnc(N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 89736447 IUSHIMPJGGYYBQ-LBPRGKRZSA-N 322.821 2.742 0 40 DFAB C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCn2cccn2)C1 174947027 BAJSTHUXPWXDHT-CJNGLKHVSA-N 316.380 2.815 0 40 DFAB C[C@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 78978669 UPUGMZQFJDITDW-AWEZNQCLSA-N 320.433 2.932 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2ccc(Cc3ccccc3)nn2)C1 72360598 VODOJVBZCDJLFU-KRWDZBQOSA-N 309.413 2.868 0 40 DFAB CCCn1nccc1C(=O)Nc1cc(O)c(Cl)cc1OC 32611538 HKNYSNLQVYCKBP-UHFFFAOYSA-N 309.753 2.913 0 40 DFAB COC(=O)c1ccc(C(=O)OCCc2scnc2C)s1 78442220 KYGOSXBXOLZBDO-UHFFFAOYSA-N 311.384 2.699 0 40 DFAB CCN(CC(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1 186687208 XVGJCSXYUBBIHA-UHFFFAOYSA-N 310.825 2.711 0 40 DFAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1F 30333558 VLRIJIILDNBQDR-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccsc3)nn12 79485337 PCLQDNKHSMPFIR-UHFFFAOYSA-N 322.806 2.968 0 40 DFAB COc1ccccc1C1(CN)CCN(C(=O)OC(C)(C)C)CC1 79034484 XOGBQDMRKDYCPZ-UHFFFAOYSA-N 320.433 2.923 0 40 DFAB CCc1nn2c(=O)cc(COc3ccc(C)cc3C)nc2s1 41076384 WHDNWCRONJMNQI-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB Cc1csc(C(=O)N2CCC[C@@H](Oc3ccc(C)nn3)C2)c1 225462438 BBZNHNGDCKUESE-CYBMUJFWSA-N 317.414 2.839 0 40 DFAB CC(C)c1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224073102 MZOIEWNHXYOUQC-UHFFFAOYSA-N 315.373 2.887 0 40 DFAB CC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1 40494503 IPVQCNZKHKZASW-UHFFFAOYSA-N 306.225 2.774 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cn(C)nc1C 88200494 QGYHBVDBHYRDSK-OAHLLOKOSA-N 312.417 2.599 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@@H](Oc2cccnn2)C1 225411859 YUDHXDKOMCGKOR-CYBMUJFWSA-N 309.325 2.516 0 40 DFAB CCn1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1C 40714431 CTYVQOZAQXPDAZ-ZDUSSCGKSA-N 317.393 2.579 0 40 DFAB O[C@H](CN[C@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 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2.646 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2C(C)C)C12CCC2 96433789 NROAOZVLTMEUMU-CHWSQXEVSA-N 306.410 2.933 0 40 DFAB Cc1cccc2c1CCN2C(=O)c1ccnc(O[C@H]2CCOC2)c1 97373915 NBFSVACIEPSJND-HNNXBMFYSA-N 324.380 2.761 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(Cc3ccccc3C(=O)O)C2)n1 257227407 FPCUDLFOQZYBRZ-HNNXBMFYSA-N 311.385 2.781 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H](c2ccncn2)C1 257256910 KNJIMCAKKDFRPB-SFHVURJKSA-N 321.424 2.914 0 40 DFAB O=C(c1cnc2ccccc2c1)N1CCC[C@H]1c1ccnc(O)n1 257233344 GOWYIPFMVDZIOK-INIZCTEOSA-N 320.352 2.708 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCCO2)C1 54223332 IYXAZCKNJUKCAD-NJAFHUGGSA-N 316.445 2.897 0 40 DFAB CCn1ncc(Br)c1C(=O)N1CCCC[C@H]1C 2778748 SEHDHVUYKYZMFH-SECBINFHSA-N 300.200 2.680 0 40 DFAB CC1=C[C@@H]2C(N3CCNCC3)=Nc3ccccc3N[C@@H]2S1 1542984513 KDLRPPDSXYTYHV-MLGOLLRUSA-N 300.431 2.640 0 40 DFAB Cn1ncc2c(Nc3cc(Cl)c(N)c(Cl)c3)ncnc21 5346389 XHVMEZWFEIYCMJ-UHFFFAOYSA-N 309.160 2.996 0 40 DFAB COc1ccc2oc(=O)c(-c3n[nH]c(-c4ccncc4)n3)cc2c1 5485449 RCVNHCNRUGCLJB-UHFFFAOYSA-N 320.308 2.649 0 40 DFAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(C)=O)c1 5840222 QIEJTLJQZCBWQK-UHFFFAOYSA-N 313.810 2.912 0 40 DFAB CCc1nn2c(=O)cc(COc3ccc(C)cc3)nc2s1 13367657 MKIVQCKJNGJAIE-UHFFFAOYSA-N 301.371 2.601 0 40 DFAB CCOC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccco2)cc1 18540826 INEVYSMOGHYHAC-GFCCVEGCSA-N 317.341 2.713 0 40 DFAB Cc1cnn(CC(=O)Nc2nc3c(s2)CCCCCC3)c1 19239961 TVAPAIQNUIGLRK-UHFFFAOYSA-N 304.419 2.946 0 40 DFAB Fc1ccc(OCCNC2CCC3(CC2)OCCO3)c(F)c1 156223472 YGVYLYNNJJGRGQ-UHFFFAOYSA-N 313.344 2.619 0 40 DFAB CCc1nnc(SCc2cccc(Br)c2)n1N 20842786 QCQYOFGQBJOIBP-UHFFFAOYSA-N 313.224 2.609 0 40 DFAB O=C(CCc1ccc(F)cc1)NCc1ccc(C(=O)O)cc1 13317187 OOMWNQGZGBBWFC-UHFFFAOYSA-N 301.317 2.773 0 40 DFAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2nccn2n1 1889215581 GATLZKFWBVUJGQ-UHFFFAOYSA-N 322.353 2.500 0 40 DFAB CCc1nnc(COC(=O)c2nc(-c3ccccc3)oc2C)o1 29866093 IJOLVGJRFIPTCX-UHFFFAOYSA-N 313.313 2.952 0 40 DFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN1 953000176 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CCSCCC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69520250 PLYWGMZJLSVTLP-AWEZNQCLSA-N 322.474 2.781 0 40 DFAB CCOCCO[C@@H](C)C(=O)Nc1ccc(-c2csnn2)cc1 57358357 KGTAYKNLHKXRBL-NSHDSACASA-N 321.402 2.585 0 40 DFAB S=C1NCN(Cc2ccncc2)CN1c1cccc(Cl)c1 35678141 GYANFBAXMQFDFB-UHFFFAOYSA-N 318.833 2.847 0 40 DFAB CCCCS[C@@H](C)C(=O)Nc1cc(-n2cnnn2)ccc1F 58227837 ZGTKDZWJLJESMD-JTQLQIEISA-N 323.397 2.662 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 58246096 MJYNHEMLAWRYKO-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cnc2ccccc2n1 69601314 DGSDKDBXTYDCQD-IAGOWNOFSA-N 324.428 3.000 0 40 DFAB O=C1CCCN1c1ccc(-c2nnc(-c3ccccn3)o2)cc1 48274120 VVZBEUZFNLBAFR-UHFFFAOYSA-N 306.325 2.925 0 40 DFAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cccnc2-n2ccnc2C)n1 58407315 MLBJWCWBEOKPBQ-ZDUSSCGKSA-N 324.388 2.589 0 40 DFAB Fc1ccc([C@H]2CN(Cc3noc(C4CC4)n3)CCO2)cc1 48299500 YLQVFRXKNNNFME-CQSZACIVSA-N 303.337 2.660 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC(c2nc3ccccc3o2)CC1 21915914 XWKHMHGDBRFTFY-UHFFFAOYSA-N 323.352 2.536 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1cccc(Br)c1 3338463 TXXHSICYZFGNMY-UHFFFAOYSA-N 314.179 2.521 0 40 DFAB O=C(/C=C/c1ccsc1)N1CCN(c2nccs2)CC1 11187088 KTJRGXPHHBGGOQ-OWOJBTEDSA-N 305.428 2.567 0 40 DFAB COc1cc(OC)cc(C(=O)N2CCN(CCC(C)C)CC2)c1 45839563 BXVHXWXGZYBZTH-UHFFFAOYSA-N 320.433 2.508 0 40 DFAB COc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12882474 VVKHREOMYNTJJT-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB COC(=O)C1(NCC(=O)Nc2ccccc2Cl)CCCCC1 69737392 ODQGTRKZKQZJJA-UHFFFAOYSA-N 324.808 2.744 0 40 DFAB O=C(NCc1nnc2ccccn12)c1cccc(C(F)(F)F)c1 12946704 KPEXIHNXRBXEGT-UHFFFAOYSA-N 320.274 2.678 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@@H]1Cn1cncn1 69842276 QBEHMUKRGWKVDE-MRXNPFEDSA-N 300.406 2.730 0 40 DFAB Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)C)c(C)c1 8710767 IUTYVHLBRTYZSA-UHFFFAOYSA-N 318.446 2.891 0 40 DFAB O=C(O)c1c[nH]c2cc(NS(=O)(=O)c3cccs3)ccc12 65565353 FGWXEYTUTIWYJY-UHFFFAOYSA-N 322.367 2.728 0 40 DFAB CCC(CC)NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 14198391 FDYQGOSNTVRUGB-MRXNPFEDSA-N 304.415 2.920 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccccn1 6708708 FZMGNYBUSPPKOI-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC2CC2)c1C 4977748 FLPFNDVDPNETFX-UHFFFAOYSA-N 312.369 2.541 0 40 DFAB CCN1CCc2c(c(Nc3ccc(C)cc3)nc3n[nH]c(N)c23)C1 6907848 RQVQZBUAKQFMIG-UHFFFAOYSA-N 322.416 2.970 0 40 DFAB CC(C)OCCCNC[C@H](O)COCc1ccccc1Cl 6939338 KBIAMUKBWRYMIO-HNNXBMFYSA-N 315.841 2.622 0 40 DFAB CCOc1ccc(-c2nnc(S[C@H]3C[C@@H](C)OC3=O)o2)cc1 9365677 QMMPXZBHHQXKDL-SKDRFNHKSA-N 320.370 2.931 0 40 DFAB Cc1n[nH]c(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1-c1ccccc1 71282993 LJGNJTRSHOOMFC-QWHCGFSZSA-N 313.357 2.680 0 40 DFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1 15769097 LOIOWZWCZMZJPA-JTQLQIEISA-N 315.373 2.945 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC1(c2noc(C)n2)CCCC1 80488043 JGMQTKPIAVLXQZ-NWDGAFQWSA-N 324.450 2.731 0 40 DFAB CC(=O)c1cccc(NC(=O)CN2CCc3ccccc3C2)c1 7782734 MNPHEUXFPRAAFU-UHFFFAOYSA-N 308.381 2.886 0 40 DFAB Cc1ccc(NC(=O)NC(=O)CSC2=NCCS2)c(C)c1 8283816 MYWTYADANIFWMR-UHFFFAOYSA-N 323.443 2.788 0 40 DFAB O=C(NCCOC1CCCC1)c1ccc(Br)o1 70167689 IKJVJRYUWNEPEE-UHFFFAOYSA-N 302.168 2.731 0 40 DFAB CCOC(=O)NCCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 69419622 RLADOIONUJFKCX-MRXNPFEDSA-N 316.401 2.801 0 40 DFAB OCc1nc2ccccc2n1Cc1ccc(-n2cccn2)cc1 71794617 LEXUWRSLNPUSCC-UHFFFAOYSA-N 304.353 2.763 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)CCc3cccc(F)c3)c12 96406462 AJWUJNIZRNKEMO-UHFFFAOYSA-N 315.352 2.569 0 40 DFAB Cc1ccsc1C(=O)N[C@H](C(=O)O)c1ccc(F)c(F)c1 97036628 HIAXNIWOQXEASM-NSHDSACASA-N 311.309 2.890 0 40 DFAB O[C@@H](CNCc1cccc2c1OCO2)c1ccc(F)c(F)c1 71819544 CPQRBUPFJUIQGN-AWEZNQCLSA-N 307.296 2.517 0 40 DFAB CCc1cc2c(N[C@@H]3CCc4nc(C)nn4C3)ncnc2s1 71874935 AHVAIGASLOEKIR-SNVBAGLBSA-N 314.418 2.581 0 40 DFAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC(N(C)C)CC1)C2 71846642 OFMBFQNIHDUHNS-INIZCTEOSA-N 304.459 2.564 0 40 DFAB c1ccc(-c2nnc(CN3CCC[C@H]3Cn3cccn3)o2)cc1 71875416 WUCZMCHPUCSOJP-HNNXBMFYSA-N 309.373 2.598 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@@H](c2ccco2)N(C)C)c1 97142932 WUKWSUNYHDOSMD-ZDUSSCGKSA-N 302.378 2.716 0 40 DFAB C[C@H]1CN(Cc2nc3ccccc3o2)CCN1c1nccs1 95351821 QPXPDONEQIZNAH-LBPRGKRZSA-N 314.414 2.995 0 40 DFAB Cc1[nH]ncc1C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 95418709 CTUDAXPEYPNDQO-AWEZNQCLSA-N 318.465 2.835 0 40 DFAB O=C(OCCN1CCCCCC1=O)c1ccn(C2CCCC2)n1 95418606 VCMQLYLZWXIHCI-UHFFFAOYSA-N 319.405 2.558 0 40 DFAB O=C(Nc1cccnn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984836 IGJGJIQTXJILBR-OCCSQVGLSA-N 318.764 2.782 0 40 DFAB CCCCc1nc2cc(NC(=O)[C@]3(O)CCSC3)ccc2[nH]1 95980082 VGWVMXPZIPWPGS-INIZCTEOSA-N 319.430 2.712 0 40 DFAB Cc1cc(C)cc(CS(=O)(=O)Cc2ccc(C(N)=O)cc2)c1 74447552 DMUVGBWJMIXPFX-UHFFFAOYSA-N 317.410 2.517 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@@H](O)CNC[C@@H]2CCCO2)c1 9970633 PVJNDXXKEPSILW-HOTGVXAUSA-N 307.434 2.627 0 40 DFAB O=C(NCc1ccccc1Cl)c1ccc(N2CCCC2)nn1 75172557 KUJBTDGTYCFPIR-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB O=C(NCc1ccsc1)N[C@@H]1CCO[C@@]2(CCSC2)C1 89885456 SKGORLJIRTZUEN-OCCSQVGLSA-N 312.460 2.602 0 40 DFAB COc1cccc(CC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c1 89894959 NWEXVDADYYAQJD-KBXCAEBGSA-N 313.397 2.866 0 40 DFAB Fc1cc(CNCCOC[C@H]2CCCO2)c2ncccc2c1 89807820 GPMRWOPTLGPBBK-MRXNPFEDSA-N 304.365 2.659 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccon2)c1C 119184405 VJLUGRFYLXYVMN-AWEZNQCLSA-N 313.357 2.594 0 40 DFAB CN1CCN(c2cccc(-c3noc(-c4ccccc4)n3)n2)CC1 546548738 RASHPSOHHZUSAQ-UHFFFAOYSA-N 321.384 2.550 0 40 DFAB O=C(c1ccc(I)cc1)[C@H]1CCCO1 36941476 NIGUUNWVSSBRBS-SNVBAGLBSA-N 302.111 2.653 0 40 DFAB in-vitro COc1ccc2c(c1)CCCN(C(=O)Cc1c(C)n[nH]c1C)C2 527293134 WNDDCZBESJPTJW-UHFFFAOYSA-N 313.401 2.553 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 71926608 OQDJGKVPHOQTBT-KRWDZBQOSA-N 312.369 2.614 0 40 DFAB CC(C)C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 38890921 OLVAJKSPYQRYNW-UHFFFAOYSA-N 319.430 2.703 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)NC[C@H](c1ccco1)N(C)C 38614512 GALFCOGDBDRBKU-GXTWGEPZSA-N 320.364 2.605 0 40 DFAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1cc(F)cc(F)c1 38671074 MPEBBZMBDXWLAI-VIFPVBQESA-N 305.284 2.746 0 40 DFAB O=C(Nc1cnns1)[C@H]1CCCCN1Cc1ccccc1 188703379 RBCLZTWKBZKUDL-CYBMUJFWSA-N 302.403 2.531 0 40 DFAB CS(=O)(=O)N1CCC[C@H]1c1cccc(Oc2ccccc2)n1 72361997 LYDGJYWDUWFREE-HNNXBMFYSA-N 318.398 2.970 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1Cl 72228223 LNDXGXJATIIVBO-GJZGRUSLSA-N 304.752 2.890 0 40 DFAB Cc1ncsc1CN(C)C(=O)Cc1ccc2c(c1)CCCO2 563166685 RYTNECRRIQCYID-UHFFFAOYSA-N 316.426 2.978 0 40 DFAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 78556553 BXIBCFQYVPNHQH-ZLKJLUDKSA-N 314.341 2.557 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)c2conc2C(C)(C)N)c1 563417924 SJSSMXMCVSLAPX-LBPRGKRZSA-N 301.390 2.976 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccccn3)n2)CN1c1cccc(F)c1 44213940 GIUHDCPKKFPEDD-LLVKDONJSA-N 324.315 2.791 0 40 DFAB COc1ccc(CNC(=O)CCn2ncc3ccccc32)cc1 40757875 RUEMNVYJHBEFFM-UHFFFAOYSA-N 309.369 2.751 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)OCc1ccccc1 191159194 VHDFXELMYPIFIJ-GDBMZVCRSA-N 318.417 2.950 0 40 DFAB O=C(NC1CC1)c1snnc1-c1ccc(Br)cc1 225782166 IFPGXFKDXZTJSY-UHFFFAOYSA-N 324.203 2.860 0 40 DFAB CCCNC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 225775935 WGBORDHHJNDZNU-UHFFFAOYSA-N 308.769 2.941 0 40 DFAB CC(C)CNCc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3 40287903 FZGQVDXCUFLWKS-UHFFFAOYSA-N 321.446 2.582 0 40 DFAB c1csc(CN2CCCn3nnc(COCC4CC4)c3C2)c1 96258975 VQPPSCPHOJJRRF-UHFFFAOYSA-N 318.446 2.672 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)C[C@@H]1CCN(C)C1 96430905 VLBAJGJWFNAKLR-HZMVEIRTSA-N 310.482 2.770 0 40 DFAB C[C@H](NC(=O)C(F)(F)c1ccccn1)[C@H](O)c1ccc(F)cc1 96495442 ROGYZRNNKMBACM-HZMBPMFUSA-N 324.302 2.551 0 40 DFAB CCOC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)N1C 96208350 UGEFNUPPHMIWMK-MRXNPFEDSA-N 306.450 2.589 0 40 DFAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccon1 91153433 SYWIHUNXAMVGDD-DGCLKSJQSA-N 310.712 2.727 0 40 DFAB COC(=O)c1ccc(CN(C)[C@H](CO)c2cccc(F)c2)s1 95411637 OACYCSQBEFYINC-CQSZACIVSA-N 323.389 2.839 0 40 DFAB COc1cccc(NCc2nc([C@H](N)Cc3ccccc3)n[nH]2)c1 95534868 RGUJNCPJRGRMAA-MRXNPFEDSA-N 323.400 2.668 0 40 DFAB CC[C@H]1CCCCCN1C(=O)CCc1nc([C@@H](C)OC)no1 96454373 LVIJCJYYWRGFIS-OLZOCXBDSA-N 309.410 2.891 0 40 DFAB O=C(O)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 91690141 FLKUVCLBMNFVKZ-OAHLLOKOSA-N 302.399 2.696 0 40 DFAB Cc1ccccc1CNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 95426860 DDPSMEDNWZMYRI-RDJZCZTQSA-N 320.458 2.849 0 40 DFAB Cn1c(C(=O)NCc2ccccn2)cc2c1c1ccccc1n2C 96146267 WFYIRFUYGXFUMN-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB COc1cc(CCNC(=O)NC2CCSCC2)ccc1C 96421610 UURROCOUIWUIED-UHFFFAOYSA-N 308.447 2.741 0 40 DFAB Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)c1 96055136 VVSTWMQQFNBYAU-SJLPKXTDSA-N 316.376 2.756 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)CCCn2ccnc2)C12CCCC2 96432591 SRWBAWAPKQDUMF-CABCVRRESA-N 305.422 2.517 0 40 DFAB C[C@H](NS(C)(=O)=O)c1ccc(Oc2cccnc2)c(F)c1 96428215 ZNJNDQSRGDNQIW-JTQLQIEISA-N 310.350 2.623 0 40 DFAB c1cncc(OC[C@H]2CN(Cc3ccoc3)Cc3ccnn32)c1 247963197 PEJLDMWTNCFPTA-MRXNPFEDSA-N 310.357 2.507 0 40 DFAB CNc1ncccc1CN1CCCC[C@H]1c1ccn2ccnc2n1 257344888 ZZAXCCYKWODGEW-INIZCTEOSA-N 322.416 2.893 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257233865 GRCHPLIXFXYTIC-AWEZNQCLSA-N 315.373 2.519 0 40 DFAB CNc1cc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)ccn1 257208298 BLNMSWCHONIVGF-AWEZNQCLSA-N 309.435 2.533 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)c3ncoc3C)CC2)s1 257217107 CXMLFPCKGBOROY-UHFFFAOYSA-N 305.403 2.942 0 40 DFAB CCCc1nnc(NC(=O)NCc2ccc3c(c2)OCO3)s1 43555945 SFFYXOPGMPOUEH-UHFFFAOYSA-N 320.374 2.541 0 40 DFAB Cn1cnc(C(=O)N2CC[C@H](Cc3ccnc4ccccc34)C2)c1 257253796 KAIOBUKQZFVIOR-CQSZACIVSA-N 320.396 2.673 0 40 DFAB COc1nn(C)cc1C(=O)NCc1ccc(-c2ccsc2)o1 575610924 QZEAKIWEIKSJEN-UHFFFAOYSA-N 317.370 2.680 0 40 DFAB c1cncc(CO[C@H]2CSC3(C2)CN(Cc2ccoc2)C3)c1 585104974 MXDZTBFNTXURKM-MRXNPFEDSA-N 316.426 2.951 0 40 DFAB C[C@@H]1CCc2ccccc2N1CCCN1C(=O)NC(C)(C)C1=O 51620117 GTDJIMGLAVMZSG-CYBMUJFWSA-N 315.417 2.548 0 40 DFAB O=C([C@H]1CCCN1C(=O)c1ccc(Cl)s1)N1CCCC1 55105433 KFDZJOGQEZAENG-SNVBAGLBSA-N 312.822 2.629 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc2c(c1)CCC2 62041811 KXXBPPOZEPCKFM-QGZVFWFLSA-N 324.428 2.786 0 40 DFAB O=C(CCn1ccnc1)N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 69667966 NZZQWKSWRSTVRO-KGLIPLIRSA-N 323.318 2.964 0 40 DFAB Cc1nc(C)c(C(=O)N(C)C[C@@H]2OCCc3ccccc32)o1 81316794 ZMNMPNIFUXJWDN-HNNXBMFYSA-N 300.358 2.677 0 40 DFAB C[C@@H]1CN(C(=O)Cc2ccccc2O)[C@H](c2ccccc2)CO1 86337354 UZUHQSZGRVWDCE-PBHICJAKSA-N 311.381 2.923 0 40 DFAB O=C(NCCc1cc2ccccc2[nH]1)NCC[C@H]1CCCCO1 97055233 YVCAPXYHYMPBMI-MRXNPFEDSA-N 315.417 2.969 0 40 DFAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)c1ccccc1 5154278 JIZFWLHCZZWYAL-UHFFFAOYSA-N 300.383 2.624 0 40 DFAB CCOCc1nnc(NC(=O)c2csc(C(C)=O)c2)s1 12202239 CBFBRMXRLKKEOK-UHFFFAOYSA-N 311.388 2.591 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1cnc2ccccc2n1 12923134 TUEDLAWKJRWTQR-ZDUSSCGKSA-N 305.337 2.883 0 40 DFAB CCCCC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 16637564 LMTDAZAREQJENC-UHFFFAOYSA-N 321.446 2.526 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2cccs2)c(OC)c1 151274765 JHGFOMNJRYDPFN-UHFFFAOYSA-N 313.400 2.590 0 40 DFAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCSCC1 1889136274 KQIWWJVUZDGTIK-OAHLLOKOSA-N 322.449 2.613 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2cnc3ccccc3n2)C1 1889175200 WUEQPKJIIDGFNO-AWEZNQCLSA-N 306.369 2.991 0 40 DFAB Cc1noc([C@H](C)Nc2ccc(CC(=O)N3CCCC3)cc2)n1 27026894 CEWYQFJGXWCGBD-LBPRGKRZSA-N 314.389 2.716 0 40 DFAB Nc1nnc(SCc2csc(-c3ccccn3)n2)s1 12260495 OGBUTJGWZKMWNP-UHFFFAOYSA-N 307.429 2.931 0 40 DFAB O=C(Cn1ccc2ccccc21)N1[C@H]2CC[C@H]1c1cncnc1C2 238929152 UXNWLAWNLONRAQ-KSSFIOAISA-N 318.380 2.720 0 40 DFAB Cc1cc(C)c2ccc(N3CCC(C(=O)NC4CC4)CC3)nc2n1 2087128283 VGZAJCVDEHZLOQ-UHFFFAOYSA-N 324.428 2.742 0 40 DFAB COc1ccc2nc(-n3nc(C)cc3NC(C)=O)sc2c1 21684671 ADBJWKXDFWSGSG-UHFFFAOYSA-N 302.359 2.757 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2cc[nH]c2c1 32096128 PDCIFJUCKIGAOS-UHFFFAOYSA-N 311.316 2.562 0 40 DFAB O=C(Cc1ccc(F)cc1F)NC[C@@H]1COc2ccccc21 342658443 UTKBPLCTYVLPTP-GFCCVEGCSA-N 303.308 2.800 0 40 DFAB C[C@@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)[C@H](C)CO1 40071838 LAVOBVYBNQNLQB-GHMZBOCLSA-N 307.781 2.999 0 40 DFAB COCCCn1cnnc1SCc1cn2c(C)cccc2n1 40497752 MDEQXALMPBAPRM-UHFFFAOYSA-N 317.418 2.563 0 40 DFAB CN1CCCN(c2nn3cc(-c4ccccc4)nc3s2)CC1 40496209 OOZZRISQRULWIR-UHFFFAOYSA-N 313.430 2.600 0 40 DFAB COC(=O)c1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)n1 40543451 MUYPUOYINNAXDG-UHFFFAOYSA-N 314.385 2.567 0 40 DFAB c1ccc2[nH]c([C@H]3CCCN(c4ncnc5[nH]cnc45)C3)nc2c1 40512413 KOVDMDFJOKHLGT-NSHDSACASA-N 319.372 2.613 0 40 DFAB CNC(=O)c1ccc(C)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 31921217 YJLZCQSGQXFEBR-CYBMUJFWSA-N 315.200 2.877 0 40 DFAB CC(C)COCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 51411299 DXDNQGHMWNUROF-UHFFFAOYSA-N 301.390 2.756 0 40 DFAB Cc1cccc(C2(CNC(=O)[C@@H]3COCCO3)CCCCC2)c1 46235431 VNGJVDMNEVQPGR-KRWDZBQOSA-N 317.429 2.729 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102176270 XHSWNAWNVXTEEN-DUVNUKRYSA-N 313.353 2.583 0 40 DFAB CC(=O)c1ccccc1OC[C@@H](O)Cn1c(C)nc2ccccc21 810209 AWJBEAYQYJRQHK-HNNXBMFYSA-N 324.380 2.987 0 40 DFAB Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1 815299 FLJGBOFFLPKDOI-UHFFFAOYSA-N 316.311 2.905 0 40 DFAB CCCCc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11907357 ZZAAUTBYEHHSEQ-UONOGXRCSA-N 324.471 2.683 0 40 DFAB O=C1CCC(=O)N1c1nn(Cc2ccccc2Cl)cc1Cl 2732520 CCHMDUJNTCFJSA-UHFFFAOYSA-N 324.167 2.892 0 40 DFAB O=C1O[C@H](C(=O)Nc2ccc3c(c2)CCC3)Cc2ccccc21 6648526 TWNQSTYLDPQESM-KRWDZBQOSA-N 307.349 2.896 0 40 DFAB CN(C(=O)c1cncc(F)c1)C(C)(C)c1ccc2c(c1)OCO2 97014571 PWUPZBPLWYRZRJ-UHFFFAOYSA-N 316.332 2.957 0 40 DFAB Cc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)on1 41398799 BIKAEDQXUSSYRZ-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB CC(C)n1c(N)nnc1SCc1nnc(C2CC2)n1C1CC1 97083542 MOVDERZDAIDXTD-UHFFFAOYSA-N 319.438 2.537 0 40 DFAB COCCC[C@@H](C)C(=O)N1CCC[C@H](N2CCCCCC2)C1 97047282 PBVSLVNXMFHAHZ-SJORKVTESA-N 310.482 2.916 0 40 DFAB Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1C 53163569 SXALOBMDDDDMPH-RMKNXTFCSA-N 323.440 2.805 0 40 DFAB C[C@@H]1CC(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C[C@@H](C)O1 97049581 DRFQLFDGORLKSF-LALPHHSUSA-N 306.410 2.602 0 40 DFAB CCOc1coc(C(=O)Nc2cc(C)ccc2OC)cc1=O 23136942 BGRUSOAMSMGFSM-UHFFFAOYSA-N 303.314 2.608 0 40 DFAB CC(C)(C)n1cc(CNCCC(=O)NC2CCCCC2)cn1 54203391 LXOBCDNZVIRCIP-UHFFFAOYSA-N 306.454 2.567 0 40 DFAB COc1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104751161 PBRUFIHULMVMHI-XDQVBPFNSA-N 309.431 2.798 0 40 DFAB O=C(Nc1ccccc1CC(F)(F)F)N1CCC[C@H]1CO 76082041 UNCDWSLJDPHTJW-NSHDSACASA-N 302.296 2.780 0 40 DFAB C[C@H](Nc1cccc(CO)c1)C(=O)N1CCc2sccc2C1 71832728 AWJLIFMUIGAJHG-LBPRGKRZSA-N 316.426 2.626 0 40 DFAB Cc1noc(C)c1CCC(=O)NCC1(N(C)C)CCCCC1 44513404 VQVQPSZGSAZEOB-UHFFFAOYSA-N 307.438 2.605 0 40 DFAB OCc1nc2ccccc2n1Cc1cc(Cl)c2c(c1)OCO2 57941524 CJQMOHCLCMUCPI-UHFFFAOYSA-N 316.744 2.959 0 40 DFAB COCCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 72273659 DIIYKBLKVSSWNM-QMMMGPOBSA-N 312.218 2.620 0 40 DFAB CCCS(=O)(=O)NCc1cccc(CN2CCC(C)CC2)c1 58277931 FHFFXMZBXUBVFF-UHFFFAOYSA-N 324.490 2.748 0 40 DFAB COc1c([C@@H]2CCCN2Cc2nc(C)c(C)o2)c(C)nn1C 72253792 VUUFMINAKJCMFB-ZDUSSCGKSA-N 304.394 2.679 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)OCCO3)o1 44949659 VLTGBRNWXPMZGT-LBPRGKRZSA-N 316.357 2.920 0 40 DFAB COc1ccc([C@H](C)NCc2c(C)nn(C)c2OC)cc1F 58381164 ZHNUCTOLBKNCME-JTQLQIEISA-N 307.369 2.736 0 40 DFAB CC(C)N(C)Cc1ccccc1CNc1cn[nH]c(=O)c1Cl 58411710 DKIZZIMPYKFJIW-UHFFFAOYSA-N 320.824 2.876 0 40 DFAB O=C(CSc1nccc(O)n1)Nc1ccccc1C(F)F 408545122 PKZKHZSVEGQOES-UHFFFAOYSA-N 311.313 2.851 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)Cc2ccccc2)cc1 12793078 QVQHLTVZLIHUDI-UHFFFAOYSA-N 305.399 2.657 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(C)c1C 9446401 RYKLXJRMNGRJFH-UHFFFAOYSA-N 300.358 2.862 0 40 DFAB CC(=O)c1ccc(N2C(=O)C/C(=C\c3ccc(O)cc3)C2=O)cc1 13682578 IKPVSSWKEXRPQV-XNTDXEJSSA-N 321.332 2.942 0 40 DFAB CC(C)Cn1ccnc1NC(=O)CCc1ccc2c(c1)OCO2 64660834 CGHWXIQVYYOQRC-UHFFFAOYSA-N 315.373 2.839 0 40 DFAB CCN(C)CCNC(=O)c1sc(-c2ccc(C)o2)nc1C 65403921 CWMHERWNWBMPCZ-UHFFFAOYSA-N 307.419 2.701 0 40 DFAB O=C(CC1(C(F)(F)F)NCCN1)c1ccc2ccccc2c1O 19327308 QDQFHUUGBMRZQP-UHFFFAOYSA-N 324.302 2.570 0 40 DFAB COc1ccnc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 96407249 GJNQGRWRCCANLK-GUYCJALGSA-N 312.369 2.692 0 40 DFAB C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cnn(Cc2ccccc2)c1 96490338 NRTKOCNDFORANB-RDTXWAMCSA-N 321.428 2.863 0 40 DFAB O=C1C(c2ccccc2)=C(O)c2cccc3c(=O)[nH]c(O)c1c23 6666594 OKDFLZXKMRVILB-UHFFFAOYSA-N 305.289 2.856 0 40 DFAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2ccccc21 4724198 HFGDICGGSQECAP-IBGZPJMESA-N 324.380 2.689 0 40 DFAB COc1ccccc1C[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 66742627 ZEJSYFQTVWPMFL-WMLDXEAASA-N 303.402 2.655 0 40 DFAB COc1ccc([C@H]2CCCN2CC(=O)NC(C)(C)C)c(OC)c1 15366892 ZWWBXVRQVNDEPQ-OAHLLOKOSA-N 320.433 2.755 0 40 DFAB CCCCNC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162226 CHHAIPHJPQHGGZ-UHFFFAOYSA-N 318.398 2.883 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 9387674 WVUUBPBOGANYSP-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB CCc1nn(C)cc1NC(=O)Cc1csc(C(C)(C)C)n1 91157371 KFDWRDCXUWJHLO-UHFFFAOYSA-N 306.435 2.918 0 40 DFAB COc1ccc(C2(C(=O)Nc3nccs3)CCOCC2)cc1 16985323 HUXYYUMVYVIEQE-UHFFFAOYSA-N 318.398 2.839 0 40 DFAB biogenic Cc1nc(C)n(C[C@H]2CCCN2Cc2ncc(C(C)(C)C)o2)n1 69493270 PYGVAKJFVQGXJO-CQSZACIVSA-N 317.437 2.845 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)c1 69418263 KFGLZUOIOQDCMG-KRWDZBQOSA-N 323.396 2.831 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 69528083 XVSJZXDJKGISNA-KGLIPLIRSA-N 322.474 2.925 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1nccs1 69585297 WAKUEQAGQKTVPU-QMMMGPOBSA-N 319.411 2.678 0 40 DFAB O=C(CCCn1ccnc1)NCc1cccc(OC(F)F)c1 71849965 LYTMNJVCXHGRBS-UHFFFAOYSA-N 309.316 2.581 0 40 DFAB CC(C)(C)c1nc(CC(=O)Nc2ccnc3ccnn23)cs1 71888811 XCBLROKSBNTQIN-UHFFFAOYSA-N 315.402 2.665 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)CO[C@@H]2CCCC[C@H]2C)c1 71903434 MTRHEMGIAYHJAS-CXAGYDPISA-N 318.417 2.857 0 40 DFAB O=C(CCNCC1=Cc2ccccc2OC1)NC1CCCC1 71924554 XCISZXYBWLGWHX-UHFFFAOYSA-N 300.402 2.501 0 40 DFAB O=C(CCc1ccc(F)cc1F)N[C@H](CO)c1ccccc1 97233004 KFJAGKRLMWWGOC-MRXNPFEDSA-N 305.324 2.747 0 40 DFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccoc1C 78957456 RSFKTUKLDLHKFZ-CYBMUJFWSA-N 301.342 2.890 0 40 DFAB O=C(OCCn1cccn1)c1c2c(nc3ccccc13)CCC2 84587827 RFUMFLRHVKGFQD-UHFFFAOYSA-N 307.353 2.777 0 40 DFAB Cc1[nH]ccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 95446666 NXUZJWDNJSJYQY-CYBMUJFWSA-N 316.748 2.879 0 40 DFAB C[C@@H](CNC(=O)N1CCOC2(CCCC2)C1)c1ccncc1 95421999 IOBHXLUYTYEKDN-AWEZNQCLSA-N 303.406 2.540 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)c1occc1-c1ccccc1 95427409 TXKAEIAICIDCAG-FZMZJTMJSA-N 305.399 2.789 0 40 DFAB O=C(NCc1cccc2c1OCCCO2)c1ccncc1Cl 95428301 PLTFLWYOJYBVCA-UHFFFAOYSA-N 318.760 2.826 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)N(C)[C@H](C)c2cnn(C)c2)c1 95464428 ILIMUUAOHOVZKC-ZIAGYGMSSA-N 301.390 2.715 0 40 DFAB C[C@@H](NCCCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1 95967629 XDCLGXSYDGLPSQ-OAHLLOKOSA-N 309.417 2.889 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC[C@@H](c2cn[nH]c2)C1 95941120 VMXOTDCOHXNTNE-CYBMUJFWSA-N 314.389 2.754 0 40 DFAB O=C(c1cccc(Cl)c1F)N1CCC(n2ccnn2)CC1 95979287 DQWKILRFFSELLN-UHFFFAOYSA-N 308.744 2.548 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)C2CCOCC2)cc1 74521182 XHQKTTMZQMAGOS-IAGOWNOFSA-N 303.402 2.758 0 40 DFAB Cc1cc(SCC(=O)NC(=O)NC2CC2)nc2ccccc12 9911690 KKXJABXCXOJQRP-UHFFFAOYSA-N 315.398 2.624 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1cccnc1 89793942 REFREGAZJLCLMH-UHFFFAOYSA-N 312.156 2.592 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12 89938365 AKZMDZZUFCGYFA-LLVKDONJSA-N 303.793 2.664 0 40 DFAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccs1 28048230 AIANMUSAVGKJBH-LBPRGKRZSA-N 304.375 2.582 0 40 DFAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1ccccc1Cl 77783277 AVFNZJMVWGSNHL-NSHDSACASA-N 312.797 2.600 0 40 DFAB O=C(NOCc1ccccc1)c1ccc(CN2CCCC2)o1 1540681056 DFEYKVDABGPCAD-UHFFFAOYSA-N 300.358 2.737 0 40 DFAB Cc1ncsc1COC(=O)c1cncc(Br)c1 78554253 UJXWSSFVBFRNLC-UHFFFAOYSA-N 313.176 2.966 0 40 DFAB C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 78556554 BXIBCFQYVPNHQH-LERXQTSPSA-N 314.341 2.557 0 40 DFAB CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1cnc2ccccc2c1 131312204 VJWYYMYGQNFHDW-FZKQIMNGSA-N 300.402 2.691 0 40 DFAB Cc1ccccc1-n1nc(C(=O)Nc2nccn2C)c2c1CCC2 566842454 AYXZNNIRQTVRRZ-UHFFFAOYSA-N 321.384 2.655 0 40 DFAB C[C@@]1(c2ccccc2)CCCN(CC(=O)NCc2ccccn2)C1 79097559 BRLLQNBAWIYYIE-HXUWFJFHSA-N 323.440 2.752 0 40 DFAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1 85559019 UQCLZFQMGHVPRV-NSHDSACASA-N 323.801 2.800 0 40 DFAB CCCCS(=O)(=O)Nc1ccc2c(c1)c(OCC)nn2C 227166869 OYUNUQUTYAPOQI-UHFFFAOYSA-N 311.407 2.514 0 40 DFAB CN(C)[C@@H]1CC[C@H](NC(=O)c2ncoc2-c2ccc(F)cc2)C1 225389032 AUPQPWRDQWBHAS-UONOGXRCSA-N 317.364 2.693 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccccc3C)CC2)CO1 96105831 MHFNONLOLAKVTP-KRWDZBQOSA-N 317.429 2.582 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccs1)C2 96039211 SFBFXFDNYUCRPN-AMFYOEQGSA-N 321.442 2.805 0 40 DFAB Cc1ccc(NC(=O)NC[C@@H](O)C(C)C)cc1OC(F)F 96420236 ACGBSFSYCBZYMV-LLVKDONJSA-N 302.321 2.735 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)Cc2ccccc2Cl)o1 96440255 BAWRTSHGOLGMNZ-MRXNPFEDSA-N 307.777 2.808 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CC[C@@]2(CCOC2)C1 96462287 WVXXQEVYRPGELC-QGZVFWFLSA-N 316.332 2.733 0 40 DFAB O=C(c1ccsc1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96073530 GPBQRWPCXMHUJX-WBVHZDCISA-N 321.442 2.938 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)NCCCc1c(C)nn(C)c1C 96490508 SYBBVOWFFPDBIV-HUUCEWRRSA-N 324.494 2.553 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)n1 257334744 YHEYSYWXSDTALC-UZYOAWRESA-N 314.414 2.957 0 40 DFAB CN(c1ccncn1)C1CC2(CCN(c3ccc(F)cn3)C2)C1 257330798 XQCNKPAPRHLPLU-UHFFFAOYSA-N 313.380 2.506 0 40 DFAB CC(=O)N1CCC[C@H](c2cccc(-c3cnc4ncccn34)n2)C1 257285177 PFYYUSBYKGPXQO-AWEZNQCLSA-N 321.384 2.517 0 40 DFAB C[C@H]1CCN(C(=O)c2cnn3cccnc23)[C@@H](c2ccco2)C1 266551945 SGWXUVURUHVJMX-GXTWGEPZSA-N 310.357 2.936 0 40 DFAB COCCn1cc(NC(=O)N[C@H](C)c2cc(F)ccc2F)cn1 44969044 GGLHZLKQKPKFJB-SNVBAGLBSA-N 324.331 2.690 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2ccnc2)cc1OC 52693103 OOIFQZPLORWMMW-CHWSQXEVSA-N 317.389 2.729 0 40 DFAB Cc1c(C)c(C)c(S(=O)(=O)NCCN(C)C2CC2)c(C)c1C 70038280 HJWZESHGMYGVBN-UHFFFAOYSA-N 324.490 2.601 0 40 DFAB O=C(Cc1ccccc1O)Nc1cnc(-c2cccc(O)c2)nc1 70018523 YMOXYVMSRLAPGQ-UHFFFAOYSA-N 321.336 2.736 0 40 DFAB Cc1noc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C 96007282 CVXROVYXPJQAOQ-UHFFFAOYSA-N 321.280 2.506 0 40 DFAB Oc1cc(I)c(F)cc1Br 97437807 KUMBRXQSWFKWIG-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB O=C(NCC1(OCCO)CCCC1)c1cccc2ccccc12 888106919 FDLPWCSLOMGRDP-UHFFFAOYSA-N 313.397 2.891 0 40 DFAB O[C@@H](c1cccc(I)c1)C(F)(F)F 231423969 NGUOCPAGZBJERM-ZETCQYMHSA-N 302.033 2.887 0 40 DFAB Cc1occc1-c1oncc1-c1ccnc(N2CCOCC2)n1 19583104 YPCLGMDNHFYHRS-UHFFFAOYSA-N 312.329 2.537 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(O)cc1 324869 QCGDFYJXDWDWBY-HNNXBMFYSA-N 301.298 2.691 0 40 DFAB biogenic O=C(NCC1CCN([C@H]2CCSC2)CC1)[C@H]1CC=CCC1 225571748 AWQKRCUJEWYJEV-HOTGVXAUSA-N 308.491 2.676 0 40 DFAB CO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1ccccc1F 643914117 LGTPAOIVWWRVRX-SJLPKXTDSA-N 317.408 2.639 0 40 DFAB Cc1cc(Br)ccc1NC(=O)c1ccc(O)nn1 4317548 ZEIPYBUKPVIOAX-UHFFFAOYSA-N 308.135 2.505 0 40 DFAB c1nc(C2CC2)cc(N2CCC(c3nnc(C4CC4)o3)CC2)n1 1888866888 ROOCOQXZKMAJRT-UHFFFAOYSA-N 311.389 2.998 0 40 DFAB O=C(Cc1ccsc1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 244947576 DMWGBEHVTMIFIQ-HDJSIYSDSA-N 317.414 2.587 0 40 DFAB O=C(CCCOCc1ccccc1)N[C@@H]1CCN2CCCC[C@H]12 50580927 QHCQSONDWYODCQ-QZTJIDSGSA-N 316.445 2.726 0 40 DFAB CCOc1ccc(NC(=O)Cc2csc(NC(C)=O)n2)cc1 9659410 IVCRTKMUXIRTJC-UHFFFAOYSA-N 319.386 2.681 0 40 DFAB O=C1O[C@H]2[C@H]3C[C@@H]([C@@H]2Sc2ccc(Cl)cc2)[C@@H](C(=O)O)[C@@H]13 12374652 YEQLLKPKQRZMFA-QFHDERPTSA-N 324.785 2.693 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccncc2)Oc2ccc(Cl)cc21 15083894 VBXPCGFGEYODQW-AWEZNQCLSA-N 302.717 2.708 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 209111054 AGSYBSWAQVPZCC-IUODEOHRSA-N 304.390 2.737 0 40 DFAB O=S(=O)(c1ccc2c(c1)CCO2)N(Cc1ccco1)C1CC1 40059558 CDEVKNGDVHVGRN-UHFFFAOYSA-N 319.382 2.568 0 40 DFAB CCOC(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 40159007 YXZJTNLBEHLOMD-UHFFFAOYSA-N 320.172 2.637 0 40 DFAB COc1cccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 20218757 ZSMJWQRXSMJHBQ-LJQANCHMSA-N 312.413 2.551 0 40 DFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)c1ccccc1 40468405 XXHDLGGNNPUESE-BEFAXECRSA-N 322.412 2.994 0 40 DFAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 40539229 QASPYTUZWCLVKJ-NSHDSACASA-N 310.781 2.691 0 40 DFAB CCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 380233 FYUWKJWJGQARSL-UHFFFAOYSA-N 302.355 2.672 0 40 DFAB O=C(NCCOc1ccc(C(F)(F)F)cn1)C1[C@H]2CCC[C@H]12 101650142 XWFWLWWZQAZAFR-QWRGUYRKSA-N 314.307 2.642 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)=O)c2)cc1 21130481 VXTXMIFDWCLRAC-UHFFFAOYSA-N 318.350 2.860 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C 60107947 AEBHNPKOJZYPQC-OAHLLOKOSA-N 318.461 2.922 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3nc(C(C)C)cs3)nc2n1 29776078 CGZMZBLNVUBEJP-UHFFFAOYSA-N 316.390 2.573 0 40 DFAB CCOC(=O)CSc1nnc2c(C)cc3ccccc3n12 415012 VYZFLPVXEFOFRP-UHFFFAOYSA-N 301.371 2.846 0 40 DFAB CC(C)N(C)C(=O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 52247691 BFTPZILJSJGNNU-OAHLLOKOSA-N 310.825 2.580 0 40 DFAB Cc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)cc1 2716255 WXISVWQVPQEAII-UHFFFAOYSA-N 324.380 2.641 0 40 DFAB CCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 32854040 PDIAPTCXYBJXKC-AWEZNQCLSA-N 304.369 2.748 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1 3325153 OEDIGZQVDHFJAU-NSHDSACASA-N 310.806 2.907 0 40 DFAB Cc1ccc(-n2cc(C(=O)N3CCc4ccccc43)nn2)cc1 32924311 MMTPJMUOBMOIDR-UHFFFAOYSA-N 304.353 2.779 0 40 DFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 50153199 VQXRPIUWSVVFPI-ZDUSSCGKSA-N 310.353 2.687 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)c1 71869820 YNSAMWQPOKSAFR-INIZCTEOSA-N 308.385 2.978 0 40 DFAB C[C@]1(NC(=O)NCCCn2ccnc2)CCCc2ccccc21 69620343 RLZYCWUUUZHPQG-SFHVURJKSA-N 312.417 2.824 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@@H](C)C3)CC(=O)N2C)cc1 108418396 YTJPHJQZSFEKPW-QGPMSJSTSA-N 314.429 2.773 0 40 DFAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)NC(C)=O)n2)cc1 23082840 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O=C(Nc1nnc(C2CC2)s1)N1CCC[C@H]1CN1CCCC1 58077886 QGBBJXXUAWXJKF-LBPRGKRZSA-N 321.450 2.508 0 40 DFAB Cc1cc2oc(=O)cc(CN(CCO)C3CC3)c2cc1Cl 58167834 JKQLTIIFRYXRBN-UHFFFAOYSA-N 307.777 2.712 0 40 DFAB COc1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 100607278 TZIABEVQBVEVRW-NWDGAFQWSA-N 320.776 2.582 0 40 DFAB CCCOc1ccc(S(=O)(=O)NCCOC)c2ccccc12 27755654 XUHBDTRMAKBXRA-UHFFFAOYSA-N 323.414 2.553 0 40 DFAB O=C(NCc1cc(-c2ccccc2)no1)N1CCSCC1 44971533 UOEYJPROOIGTAC-UHFFFAOYSA-N 303.387 2.600 0 40 DFAB CCOC1CCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)CC1 58323931 UQMFLLPTIQYQHC-LLVKDONJSA-N 313.344 2.760 0 40 DFAB NC(=O)c1cccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 58355692 AMZPDXNQLPGBQE-QGZVFWFLSA-N 323.396 2.561 0 40 DFAB Cc1ccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1 20143787 ZKFNXBMBLCVTCJ-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB CC(=O)N1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 3360176 YDLMIELYTDJZGE-UHFFFAOYSA-N 311.838 2.509 0 40 DFAB Cn1cc(C(=O)Nc2cc(F)ccc2N2CCCCC2)cn1 69708422 CFJAIMOPEPLOPD-UHFFFAOYSA-N 302.353 2.802 0 40 DFAB COc1cccc(N2CCN(C(=O)c3ccccc3F)CC2)c1 3422424 ADBVWIIJQKTAIL-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB Cn1c(C(=O)N2CCC[C@H]2Cn2cccn2)cc2ccccc21 69777313 MIIUCNRHUUGLJZ-HNNXBMFYSA-N 308.385 2.680 0 40 DFAB Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCc2ccccc21 8726572 KCVCDNVFWPYLKB-SFHVURJKSA-N 322.408 2.919 0 40 DFAB CC(C)(CNC(=O)NC[C@H]1CCCOC1)Cc1ccccc1 172286001 HYEPEZDGAWITSP-MRXNPFEDSA-N 304.434 2.981 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)N1CCc2ccccc21 6115035 PVWFTKXFGJEIRC-LBPRGKRZSA-N 324.409 2.799 0 40 DFAB CCn1cnnc1C1CCN(CCOc2ccc(F)cc2)CC1 65287529 IUMDEXAEDPCECB-UHFFFAOYSA-N 318.396 2.696 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@H]2O 118925880 AKRBLZKRYPEVIK-SHMJFQSUSA-N 304.430 2.850 0 40 DFAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cnn(C)c2C)o1 28245839 MDFUEZZSUOSVDK-UHFFFAOYSA-N 314.345 2.769 0 40 DFAB O=C(CSCc1ccccc1)Nc1ccc(O)cc1C(=O)O 4602716 KPFCNOBHKPWDBO-UHFFFAOYSA-N 317.366 2.962 0 40 DFAB COc1cccc(CN(C)C(=O)/C=C/c2ccco2)c1OC 5510209 GRCHPASNHHQCKB-MDZDMXLPSA-N 301.342 2.969 0 40 DFAB Cc1nn(C)c(C)c1-c1nn2c(-c3ccsc3)nnc2s1 71281452 NOJFUDMZDFUCEO-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB CC(C)Cn1nccc1NS(=O)(=O)CCc1ccccc1 96462634 UBOBVRBZZDJICR-UHFFFAOYSA-N 307.419 2.524 0 40 DFAB O=C(NC1CCOCC1)N1CCC(OCc2ccccc2)CC1 80085818 IUUBYRIPCXELQZ-UHFFFAOYSA-N 318.417 2.556 0 40 DFAB Cc1nc(-c2ccccc2)c(C(=O)NC2=NCCS2)s1 15422815 NEYYBFFCJCVFTL-UHFFFAOYSA-N 303.412 2.951 0 40 DFAB CCOc1ccc(N[C@@H](C)C(=O)NC2CCCC2)cc1OC 7279955 DQNHIJHTNSARNB-LBPRGKRZSA-N 306.406 2.953 0 40 DFAB CCn1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cn1 96003630 JSUGSSYEUVVKMS-UONOGXRCSA-N 322.453 2.733 0 40 DFAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccccc1Cl 7344136 WREJIQSGNBLOIZ-UHFFFAOYSA-N 319.777 2.737 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 7608087 DPVRFGWEFCPVAU-CZUORRHYSA-N 304.415 2.696 0 40 DFAB O=C(CNC(=O)C1CCCCC1)N[C@@H]1CCCc2ccccc21 9578147 QHXALSDNJKEKGQ-QGZVFWFLSA-N 314.429 2.877 0 40 DFAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 9388537 FRCNAQOBOZSLTP-UHFFFAOYSA-N 322.408 2.847 0 40 DFAB COc1c(Br)cccc1CCN[C@@H]1CCO[C@H]1C 90909458 DOKQVRAKRCVZAN-GXFFZTMASA-N 314.223 2.767 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 71827219 YZWNTOBMSURVRM-MLGOLLRUSA-N 313.401 2.639 0 40 DFAB COc1cc(CNC[C@H](O)c2ccccc2)cc(OC)c1OC 22076138 MSWZMIYFDNALHH-HNNXBMFYSA-N 317.385 2.536 0 40 DFAB COc1cccc(CS[C@H](C)C(=O)NC(=O)NC(C)C)c1 69379780 RFNJTVINYMYCKK-LLVKDONJSA-N 310.419 2.551 0 40 DFAB CCC[C@@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 69462384 LGZMAXPLNNGKAM-LLVKDONJSA-N 319.434 2.668 0 40 DFAB CSc1nc(C)c(CCC(=O)Nc2cc(C)on2)c(C)n1 9690878 NNTKPZRWNBAYLC-UHFFFAOYSA-N 306.391 2.683 0 40 DFAB O=C(Nc1ccccc1CCC(F)(F)F)N1CC[C@@H](O)C1 97085226 UHYJQWYQVHLODU-LLVKDONJSA-N 302.296 2.780 0 40 DFAB CCc1cnccc1C(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 97034963 VPMLNKLYPVFKIJ-GFCCVEGCSA-N 324.384 2.814 0 40 DFAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C(N)=O)c(F)c1 87233945 MHWBNXLUMWZCMI-NSHDSACASA-N 310.369 2.704 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CSc3ccccc31)C2 72287784 RVUQJNGQMPYWDU-TZMCWYRMSA-N 313.426 2.512 0 40 DFAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1 72280858 SFLLIMMPSNQJSR-JTQLQIEISA-N 318.760 2.803 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2cccc(F)c2)c1 72333831 GFLBIDAIQQWCKW-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB C[C@@H]1CCN(C[C@@H]2CCCNC2)CCN1Cc1ccccc1 97229000 GUKIXORTYCIUMN-IEBWSBKVSA-N 301.478 2.582 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)OC(=O)[C@H]1CCCN(C(N)=O)C1 78949070 CNVWOWFJBBCXDX-HOTGVXAUSA-N 318.417 2.650 0 40 DFAB COC(=O)C1(NCc2ccc(OCC(F)(F)F)cc2)CCC1 95454709 WYYFJRVUXJSPBG-UHFFFAOYSA-N 317.307 2.813 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CCSC2)cc1 79110840 LFHVTPYCIYHEQW-GXFFZTMASA-N 321.398 2.513 0 40 DFAB CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2cnc(C)s2)C1(C)C 73868689 MSCWENXQIRGOJT-DOMZBBRYSA-N 311.451 2.797 0 40 DFAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C 74935856 LOBHWRPPMOIMKA-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB Cc1csc(C2(NC(=O)c3ccc(C)[nH]c3=O)CCCC2)n1 75137660 FTZGJBDQLYTCSN-UHFFFAOYSA-N 317.414 2.648 0 40 DFAB COC(=O)c1oc([C@@H](C)N2CCC(n3ccnc3)CC2)cc1C 89606818 MZYMGNYCVDXWES-CYBMUJFWSA-N 317.389 2.969 0 40 DFAB CCn1ccc(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)n1 556849602 WOFXVLUJUJTEOC-OAHLLOKOSA-N 302.353 2.529 0 40 DFAB Cn1cc(-c2ccccc2CNC(=O)c2cnn(C3CC3)c2)cn1 528909232 NDRWXUVJADPXPJ-UHFFFAOYSA-N 321.384 2.549 0 40 DFAB COc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1F 73771960 XIOICUUMTMIYSI-UHFFFAOYSA-N 315.348 2.734 0 40 DFAB CN1CC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)C1 536215077 PXQXHHVTGPLQMD-INIZCTEOSA-N 310.397 2.873 0 40 DFAB COC[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)C1 79051421 OKMGCZGHMGPHQN-STQMWFEESA-N 311.809 2.992 0 40 DFAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1 34791742 SIWXMLPOFHXQPQ-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB O=C(NCCC1=CCCCC1)C(=O)NCc1ccc(F)cc1F 38717838 CGXLVPSFIYVANE-UHFFFAOYSA-N 322.355 2.588 0 40 DFAB CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC1)c1ccccc1 79337715 YNGYGSWHQASLAR-AWEZNQCLSA-N 304.390 2.527 0 40 DFAB CC[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 189188376 OGDSFFLPYOEPMO-QZTJIDSGSA-N 316.445 2.509 0 40 DFAB CCOCc1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1 72241227 AXSBOULBBUQMJT-UHFFFAOYSA-N 306.387 2.727 0 40 DFAB Cc1ccccc1Cn1ccc(NC(=O)c2snnc2C)n1 36621445 HVZLQSZUKQKITM-UHFFFAOYSA-N 313.386 2.652 0 40 DFAB Cc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446780 MMHQUHAESAWLPK-YESZJQIVSA-N 301.411 2.570 0 40 DFAB CCOC(=O)c1cn[nH]c1Cc1ccc(Br)cc1 71980886 IWMOKUQXNYHXEM-UHFFFAOYSA-N 309.163 2.940 0 40 DFAB Cc1cc(C(=O)N(C)Cc2cccs2)nc(N2CCCC2)n1 72241128 GLWPDTBZVRJQJE-UHFFFAOYSA-N 316.430 2.719 0 40 DFAB Cc1noc(C2CN(Cc3ccccc3OC(F)(F)F)C2)n1 49482543 DLOLVFYNZFTSPG-UHFFFAOYSA-N 313.279 2.876 0 40 DFAB CCn1ccc2ccc(NC(=O)N[C@](C)(CO)C3CC3)cc21 84879017 HDFILLFNOKTODP-QGZVFWFLSA-N 301.390 2.944 0 40 DFAB O=C(NCC[C@@H](O)c1cccs1)c1ccc2nsnc2c1 77113737 PFFFHRRTUTWSPJ-GFCCVEGCSA-N 319.411 2.606 0 40 DFAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC 223724890 LULPWTZRTCRGEN-LBPRGKRZSA-N 310.825 2.993 0 40 DFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C 225681006 HKDVZGUQRDZJQV-AWEZNQCLSA-N 320.433 2.737 0 40 DFAB Cc1ccccc1NC(=O)c1ncn(C[C@H](O)c2ccccc2)n1 583648967 GGMKKBARYKPBRJ-INIZCTEOSA-N 322.368 2.572 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 96161689 DWBTVFQJKRXGKY-HDICACEKSA-N 311.404 2.785 0 40 DFAB CC(=O)c1csc(C(=O)N2CCOC[C@H]2c2cccn2C)c1 97379454 AODHVGALQXDPBK-AWEZNQCLSA-N 318.398 2.503 0 40 DFAB CO[C@H](CNC(=O)CCc1cnn(C)c1)c1cccc(Cl)c1 96431921 ZVBKEZZVALGYCY-OAHLLOKOSA-N 321.808 2.510 0 40 DFAB Cc1cc(Cl)c([C@@H](C)NCC2(C(N)=O)CCOCC2)cc1C 97238047 AMGUMIWFHFENDZ-CYBMUJFWSA-N 324.852 2.890 0 40 DFAB Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1ccon1 96487546 MCCIJDIQNLELDJ-UHFFFAOYSA-N 316.748 2.752 0 40 DFAB O=C(c1cscn1)N(CCc1ccccc1)[C@@H]1CCOC1 96460289 GGKZQQAZAMCOIF-CQSZACIVSA-N 302.399 2.617 0 40 DFAB O=C(O)c1ccc(CN2CC[C@@H](c3cccnc3)C2)c(F)c1 580083595 AKWISUIZVIVKGR-CQSZACIVSA-N 300.333 2.908 0 40 DFAB CCCS(=O)(=O)N[C@H](CC1CCOCC1)c1ccccc1 96500605 ASWUCALQWCECDP-MRXNPFEDSA-N 311.447 2.874 0 40 DFAB CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCNCC2 96144981 AQVPEGKIQRFTDN-UHFFFAOYSA-N 314.408 2.603 0 40 DFAB CN1CCN(c2nc(-c3ccc(Cl)c(N)c3)cs2)CC1 95097240 QNGSVUQCAFPITO-UHFFFAOYSA-N 308.838 2.798 0 40 DFAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCC[C@@H](O)C1 96422056 ZLGRWOMYSYASSV-GFCCVEGCSA-N 320.780 2.514 0 40 DFAB CC(C)[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)O 97160153 QUOJPFFOONHFSL-NSHDSACASA-N 312.728 2.799 0 40 DFAB O=C(NCC1CCOCC1)c1ccnc(Cc2ccccc2)c1 257334250 YFDXDXBKOSBZMM-UHFFFAOYSA-N 310.397 2.829 0 40 DFAB Cc1nc(CN2CCC[C@H]2c2cncc(N(C)C)n2)cs1 257260946 LFEFCFNQYQBTGC-AWEZNQCLSA-N 303.435 2.645 0 40 DFAB CC(C)[C@@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)C1CC1 663214743 GZESWTDUIHZWAG-OAHLLOKOSA-N 304.438 2.938 0 40 DFAB Cc1cc(CSCc2cc(=O)n3cccc(C)c3n2)on1 56228616 KAGBQSWSGYHSJR-UHFFFAOYSA-N 301.371 2.733 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCO[C@@H]2CCCC[C@H]21 71821212 IZDWMJUXMGMNLE-IAGOWNOFSA-N 310.397 2.947 0 40 DFAB COc1ccc(C(C)=O)cc1C[S@@](=O)CC1CCOCC1 95439177 BXDJWDYWEBLBPY-OAQYLSRUSA-N 310.415 2.573 0 40 DFAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c[nH]nn1 193441431 GLMFYKNVEKVZPZ-UHFFFAOYSA-N 304.313 2.600 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)O 5267107 QSTFVSDDUUAPLJ-OTYXRUKQSA-N 306.337 2.547 0 40 DFAB COc1ccc(S(=O)(=O)N(C)[C@H](C)CCc2ccco2)cc1 5575642 UIIASYYYEGJPET-CYBMUJFWSA-N 323.414 2.930 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C)cc(C(=O)OCC)c1 12763076 SGRORVRNNPYXDZ-QMTHXVAHSA-N 319.357 2.635 0 40 DFAB CCCN1C(=O)N[C@H](c2ccc(F)cc2F)C(C(=O)OC)=C1C 12946317 OBIGPYTWZWTBKG-CQSZACIVSA-N 324.327 2.888 0 40 DFAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)C(C)C 13479932 WSYCDBGAYFBUKJ-UHFFFAOYSA-N 316.401 2.931 0 40 DFAB CCn1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 14249496 FHNFXYCHDNQXHQ-UHFFFAOYSA-N 321.446 2.679 0 40 DFAB CCN(CC)C(=O)Cn1c([C@@H]2CCCO2)cc2cccnc21 19526245 JOUMXPGRQVCZQA-HNNXBMFYSA-N 301.390 2.756 0 40 DFAB CCOC(=O)c1c(Br)ccnc1Br 167953336 UHYQDLAVDPCJEO-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB C[C@H](C[C@H](O)c1ccc(F)cc1)NC1CCC2(CC1)OCCO2 156418955 CMQIGMVPOHUZKG-DYVFJYSZSA-N 323.408 2.913 0 40 DFAB CCC(=O)N1[C@H](C(=O)OC)Cc2c([nH]c3ccccc23)[C@H]1C 487053 NFQNBDGQHZZOSN-YGRLFVJLSA-N 300.358 2.565 0 40 DFAB biogenic O=C(O/C(=C\n1ccccc1=O)N1CCCCC1)c1ccccc1 4602175 WAYLITLLAHWCDO-SDXDJHTJSA-N 324.380 2.947 0 40 DFAB Cc1nnc(N2CC[C@H](C(=O)NC(C)(C)C)C2)c2ccccc12 1888866433 FHBBUJVWQUCZGC-ZDUSSCGKSA-N 312.417 2.679 0 40 DFAB O=c1c2nnc(SCC3CC3)n2ccn1-c1cccc(F)c1 1888890130 VLZVWORQDJBZSO-UHFFFAOYSA-N 316.361 2.521 0 40 DFAB CC(=O)NC(NCc1ccccc1)(C(F)(F)F)C(F)(F)F 19938712 XJSNEJJAMQEOOL-UHFFFAOYSA-N 314.229 2.733 0 40 DFAB c1ccc2c(c1)ncn2-c1cnc(C[C@@H]2CCCNCC2)cn1 2037838329 DNVLXRUKDBLFOK-CQSZACIVSA-N 307.401 2.748 0 40 DFAB O=C(N[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1 2086881984 QFGMSBMNHGJILF-NSHDSACASA-N 313.323 2.595 0 40 DFAB O=c1cc(CN2CCCc3ccccc3C2)nc2sccn12 106887812 NBXHOCPBWUDUCN-UHFFFAOYSA-N 311.410 2.704 0 40 DFAB O=C(CN1CCOc2ccccc21)N1CCC(c2ccccc2)=N1 30594471 FODPPNOFGKZKGP-UHFFFAOYSA-N 321.380 2.522 0 40 DFAB CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccc(C)cc21 100182022 RYNLXSBCHDVOHT-GOSISDBHSA-N 308.381 2.762 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1 40462747 UEFWWIHPHIYPEY-OAHLLOKOSA-N 315.348 2.614 0 40 DFAB COc1ccc(OC)c(NC(=O)[C@@H](C)OCC(F)(F)F)c1 31675274 ZEBOPCWPDWBFHF-MRVPVSSYSA-N 307.268 2.610 0 40 DFAB CCOC(=O)c1c[nH]c2c(-c3ccc(Cl)cc3)cnn2c1=O 100803432 MNEPEWSMZLCIEZ-UHFFFAOYSA-N 317.732 2.520 0 40 DFAB Cc1noc(CNc2ccccc2C(=O)NC2CCCC2)n1 40520350 ZYWMJXQNEVAANF-UHFFFAOYSA-N 300.362 2.663 0 40 DFAB Cc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 51319548 CIJYLZNVDRFRQR-UHFFFAOYSA-N 324.428 2.559 0 40 DFAB COC(=O)c1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)c(C)c1 101354127 CWOOAPYVNQTJBG-STQMWFEESA-N 302.374 2.901 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 20718628 YYKZKRMGTYDSIY-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 102133558 RTXQNBNXPHONFL-NHCYSSNCSA-N 308.403 2.623 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1F 4312760 HPWOEUIFPHCWMH-LLVKDONJSA-N 313.325 2.875 0 40 DFAB Cn1ncc2c1ncn1nc(CC34CC5CC(CC(C5)C3)C4)nc21 6827907 WOZZHZAIDYRRJO-UHFFFAOYSA-N 322.416 2.770 0 40 DFAB COc1ccccc1CNC(=O)c1cccc(OC)c1OC 496423 GBEHCXJCEMFELM-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1 53525694 FBWZWWREAIIUTF-STQMWFEESA-N 323.331 2.748 0 40 DFAB O=C(c1ccccc1)N1CCC(c2nnc3ccccn23)CC1 12407593 KOAJBQQPDXMTFW-UHFFFAOYSA-N 306.369 2.749 0 40 DFAB C[C@@]12CCC(=O)N1[C@H](C(=O)NC1CCCCCCC1)CS2 22962140 RWNQSDUJXQPCTE-XJKSGUPXSA-N 310.463 2.670 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2ccccc2)C1 23896565 POJNXGKEZIBYLX-KRWDZBQOSA-N 311.337 2.629 0 40 DFAB Cc1nnc(NC(=O)CCn2ncc3c(Cl)cccc32)s1 57279953 NKJJAMLCRDWBBV-UHFFFAOYSA-N 321.793 2.878 0 40 DFAB COCCCNC(=O)Nc1cc(Br)ccc1C 42899594 MFFNCWGFOHVSIJ-UHFFFAOYSA-N 301.184 2.916 0 40 DFAB COc1ccccc1N1CC[C@@H](CNc2nnc(C)s2)C1 77489751 OWNOHDGPNQFKDL-LBPRGKRZSA-N 304.419 2.794 0 40 DFAB Cc1cccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)c1 12555789 QDCROGQDDFKUJZ-UHFFFAOYSA-N 324.409 2.780 0 40 DFAB Cc1csc2nc(COc3ccc(F)cc3F)cc(=O)n12 24833950 QKCJZROFMQAZSY-UHFFFAOYSA-N 308.309 2.922 0 40 DFAB C[C@@H](CO)N(C)C(=O)Nc1ccc(Cl)c(Br)c1 97048721 ZLXIKFUFEHCRRK-ZETCQYMHSA-N 321.602 2.947 0 40 DFAB C[C@@H](C(=O)Nc1nccs1)N(C)Cc1ccc(F)cc1F 25071625 LJVYHMDBYWNAHG-VIFPVBQESA-N 311.357 2.880 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)NC2CC2)c(Cl)c1Cl 1404561 YLGRLGJFIILJQM-UHFFFAOYSA-N 322.213 2.679 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCNc1ncccn1)C2 107332640 WIFUFZBHADXOEO-DCGLDWPTSA-N 302.422 2.610 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2N)cc1 3295831 JBBGJHVFBYOBGQ-UHFFFAOYSA-N 304.419 2.675 0 40 DFAB O=C(CNC(=O)N[C@H](c1cccs1)C1CCCC1)NC1CC1 48178717 UHVPTVNXEKHISD-HNNXBMFYSA-N 321.446 2.557 0 40 DFAB Nc1nc(SCc2ccc(OCc3ccccn3)cc2)n[nH]1 58192462 FVDGRTSVLPDJDV-UHFFFAOYSA-N 313.386 2.653 0 40 DFAB O=C(NCC1(O)CCCCC1)Nc1cccc(-c2nnco2)c1 58298364 XIMGAGOIWZPJCX-UHFFFAOYSA-N 316.361 2.553 0 40 DFAB COc1ccc(C(=O)NC[C@@H]2CCCN(C(C)C)C2)cc1OC 58291472 KRRCLLMCUMBTLT-AWEZNQCLSA-N 320.433 2.554 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@H](O)COCc2cccs2)on1 44975761 YJLFZWASONGDNO-DZGCQCFKSA-N 322.430 2.759 0 40 DFAB C[C@H](NC(=O)NCCc1ccc(Cl)s1)[C@H]1CCCO1 44970900 BBACYFLKANRZBI-GXSJLCMTSA-N 302.827 2.811 0 40 DFAB Cn1ccnc1[C@H](NC(=O)CCc1cccnc1)c1ccccc1 58300162 LLACJKCMNPECCV-GOSISDBHSA-N 320.396 2.654 0 40 DFAB O=C(CC1CCCCC1)NCCCNC(=O)c1cccc(O)c1 58380591 PZSRIKZOUVPTRU-UHFFFAOYSA-N 318.417 2.599 0 40 DFAB CC(C)NC(=O)N1CCC(C(=O)N(C2CC2)[C@H](C)C2CC2)CC1 48309124 FZOUVVRZYCRKHB-CYBMUJFWSA-N 321.465 2.606 0 40 DFAB Cc1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1C 3478298 ZBTZVEOQKIDNRP-UHFFFAOYSA-N 319.401 2.674 0 40 DFAB CN(CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCCc2ccccc21 8126233 AEIDONWFZBMVET-HNNXBMFYSA-N 317.433 2.620 0 40 DFAB O=C(NC1CCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12921326 QSPDSFHDJAMIJU-INIZCTEOSA-N 316.401 2.867 0 40 DFAB Cc1n[nH]c2ncc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc12 63079690 ZDZPSRAEDQGDND-UHFFFAOYSA-N 318.340 2.909 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](Nc1ncnc3sccc13)CC2 70011292 KCRGURYUVVQQCV-SNVBAGLBSA-N 314.418 2.833 0 40 DFAB CC(C)COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 4056205 FKXTZSQLXYONSE-UHFFFAOYSA-N 316.353 2.860 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1nccs1 69324688 HMPBJGBPQIQJLV-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)c1 5034819 TYZSFHHKSSQPJU-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc1 69486898 AXTBGUWRSQODQE-KRWDZBQOSA-N 324.424 2.789 0 40 DFAB O=C(CCC(=O)N1CCSc2ccccc21)NCC1CCC1 69459269 MDZYPZTYALEEMY-UHFFFAOYSA-N 318.442 2.822 0 40 DFAB Cc1csc([C@H]2CN(Cc3noc(C(C)C)n3)CCO2)n1 65473911 WBPYGFNIZKUFRN-LLVKDONJSA-N 308.407 2.531 0 40 DFAB COc1cc(C(=O)OCc2cnc(C)s2)cc(OC)c1OC 65479931 JYKYVARSNLHADZ-UHFFFAOYSA-N 323.370 2.834 0 40 DFAB Cn1c(C(=O)NC2=NCCS2)ccc1-c1ccc(F)cc1 69558490 SKWVZJHPCHLKTQ-UHFFFAOYSA-N 303.362 2.664 0 40 DFAB COc1ccc(CN2CCC[C@H]2Cn2nc(C)nc2C)cc1F 69699877 PUUOKQPUIOKEOX-HNNXBMFYSA-N 318.396 2.707 0 40 DFAB O=C(O)c1cc(Br)c2c(Br)[nH]nc2c1 14983927 KXYVNSZNNNVOPT-UHFFFAOYSA-N 319.940 2.786 0 40 DFAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)NC(=O)NC1CCCC1 8707943 ZDNRKFYEWABXPS-LBPRGKRZSA-N 315.417 2.744 0 40 DFAB COc1ccc(CC[C@H](C)NC(=O)/C=C/c2cnccn2)cc1 67069825 WTKZXOYKFMIMRW-RNVIBTMRSA-N 311.385 2.636 0 40 DFAB O=C(Cn1cccn1)Nc1nc2ccccc2n1C1CCCC1 72293442 JJPPMIIRPFOIMM-UHFFFAOYSA-N 309.373 2.987 0 40 DFAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2Cn2cccn2)c1 69743909 OZWHRRBPMKOIFO-SQNIBIBYSA-N 309.413 2.986 0 40 DFAB CCCNC(=O)[C@H](C)OC(=O)c1cccc(-n2cccc2)c1 7191493 KHNOSGRIAOFIOH-ZDUSSCGKSA-N 300.358 2.549 0 40 DFAB COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2C)cc1 8751804 BPFRTCMGRQVFNX-UHFFFAOYSA-N 301.390 2.907 0 40 DFAB O=C(COC(=O)c1cc(F)cc(F)c1)NCc1ccccc1F 7694125 RNOYMIFCFNGUSL-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB Cc1cc2nc(NNC(N)=S)sc2cc1Br 22125084 MKCWUFMJIWSMJY-UHFFFAOYSA-N 317.237 2.527 0 40 DFAB CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc(C)on1 81007369 YMOLQKUZSKGYHB-UHFFFAOYSA-N 318.402 2.611 0 40 DFAB CCc1nsc(NCCc2cc(F)cc3c2OCOC3)n1 92607739 WGTRTACKXXVOAL-UHFFFAOYSA-N 309.366 2.761 0 40 DFAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1ccc(F)cc1 8981434 UFTKTPRPAFNESL-LLVKDONJSA-N 322.365 2.526 0 40 DFAB O=C(CCOc1ccc(F)cc1)N1CCC[C@H](c2ccn[nH]2)C1 72283068 HOCXIPNDIMXQIQ-ZDUSSCGKSA-N 317.364 2.724 0 40 DFAB Cc1cnc(CSc2nnc(-c3cccs3)n2C)cn1 84258570 MUHVFFCKUAYQCI-UHFFFAOYSA-N 303.416 2.934 0 40 DFAB CCN1CCC(NC(=O)Nc2ccc3c(c2)N(CC)CC3)CC1 71795661 RMKQEZJCVNFTDW-UHFFFAOYSA-N 316.449 2.675 0 40 DFAB CO[C@H](C)C(=O)Nc1ccc(Br)cc1C(C)=O 97107066 ZVJIBMAUXVJIPF-MRVPVSSYSA-N 300.152 2.625 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@]1(C)CCCO1 97147381 XUAVITPDEDDSGT-PXAZEXFGSA-N 322.453 2.876 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCC[C@@H]1Cn1cccn1 71866731 LRASMNRHNKRLPC-GFCCVEGCSA-N 302.403 2.522 0 40 DFAB Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)Cn1ccnc1)C(C)C 71909191 KNIIPCDGLZPQPZ-GJZGRUSLSA-N 315.421 2.672 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 71908038 XDWBJPDGNFAEJU-OAHLLOKOSA-N 316.449 2.975 0 40 DFAB CC[C@H](Cc1ccccc1)OC(=O)c1ccc(S(C)(=O)=O)o1 78948762 PSKWWIFAMRTIDK-CYBMUJFWSA-N 322.382 2.861 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)NCc1noc(C)n1 78942481 VPYMJWFQAXFZHV-CQSZACIVSA-N 302.378 2.507 0 40 DFAB c1ccc(N[C@H]2CCN(c3cc(-n4cccn4)ccn3)C2)cc1 84553372 FQEUAKBGUWAWOR-INIZCTEOSA-N 305.385 2.958 0 40 DFAB CO[C@H](C(=O)OCC(=O)N(C)c1ccccc1)c1ccccc1 95360815 LTGIBECHVMLNMA-KRWDZBQOSA-N 313.353 2.580 0 40 DFAB CNC(=O)c1cccnc1NCc1ccccc1COC(C)C 95403061 CLFXJBBCMSCFJZ-UHFFFAOYSA-N 313.401 2.978 0 40 DFAB c1ccc2c(c1)oc1c(N3CCC(n4ccnn4)CC3)ncnc12 95456959 YLJKUCZJOSEGKB-UHFFFAOYSA-N 320.356 2.809 0 40 DFAB C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 95451776 FZYQSFKSGMEGGQ-LLVKDONJSA-N 307.394 2.604 0 40 DFAB CCc1nc2c(s1)[C@@H](N[C@H]1CCCN(C(=O)OC)C1)CCC2 95421604 BUTMEKLYDDMAQH-RYUDHWBXSA-N 323.462 2.903 0 40 DFAB CC[C@H](COc1ccccc1)NC(=O)[C@H]1CC12CCOCC2 98018447 VSGJSNIALIBECM-GDBMZVCRSA-N 303.402 2.777 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73817153 IJRCGZOHYIZPNO-IMJJTQAJSA-N 319.424 2.635 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 88619746 ZMIZRTZBGSDZCG-BXWFABGCSA-N 314.429 2.711 0 40 DFAB CCn1ccc(=O)c(NC(=O)c2cc(F)cc3cccnc23)c1 95992180 HXHOYJSXHDUZDG-UHFFFAOYSA-N 311.316 2.808 0 40 DFAB Cc1nc([C@H]2CN(CCCc3ccccc3C)CCO2)no1 95964548 VDXRCRXRHZEETM-MRXNPFEDSA-N 301.390 2.693 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 89738400 MISVOCPRGDBCMJ-INIZCTEOSA-N 312.369 2.687 0 40 DFAB O=C(c1ccccc1OCC1CC1)N1CC[C@@H](N2CCCC2)C1 89809612 NCNYJAKWVCKYPO-MRXNPFEDSA-N 314.429 2.786 0 40 DFAB CCC1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2)CC1 73743332 QPIWRRIXEFKUFW-UHFFFAOYSA-N 304.390 2.719 0 40 DFAB Cc1cnc(Cl)cc1C(=O)Nc1ccc2nc(O)[nH]c2c1 1540465758 HYPJWNKVODGEHM-UHFFFAOYSA-N 302.721 2.878 0 40 DFAB Cc1nccn1-c1cncc([C@H]2CCCN2Cc2cccnc2)n1 72378637 KADHQRRTOHBQJQ-QGZVFWFLSA-N 320.400 2.703 0 40 DFAB C[C@@H]1CCSCCN1C(=O)Nc1ccc(-n2cccn2)nc1 192067856 ZQKRSPGABUHZOO-GFCCVEGCSA-N 317.418 2.627 0 40 DFAB Cc1cc2ccccc2n1CC(=O)Nc1c2c(nn1C)CCC2 198049648 FZYLEAUDEGZPBS-UHFFFAOYSA-N 308.385 2.811 0 40 DFAB CCOc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 225400420 OOERSAHOONLKIE-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB CCOC1CCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 96440905 XSQAENNYWBDNOG-HNNXBMFYSA-N 320.433 2.973 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 577756120 RJHITFWRBXGRIV-UHOFOFEASA-N 319.449 2.938 0 40 DFAB COc1ccc(CCOc2ccc(N(C)C(N)=O)cc2)cc1 95453562 UXSSINVQJORCRS-UHFFFAOYSA-N 300.358 2.832 0 40 DFAB CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nc2c(s1)CCCCC2 96117249 GBIOHWULGLWZSN-SECBINFHSA-N 308.403 2.692 0 40 DFAB C[C@](O)(CNC(=O)Nc1ccc2c(c1)CCCO2)c1ccco1 96434469 KYUVAIRCOLERIC-KRWDZBQOSA-N 316.357 2.634 0 40 DFAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1 95413958 MGDGKKBXKXYWBU-ZDUSSCGKSA-N 315.417 2.733 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)(C(=O)O)CC1 96029442 KPYWFDPHZHPYGC-UHFFFAOYSA-N 320.389 2.726 0 40 DFAB Cc1cccc(NC(=O)NCc2cc(C(F)(F)F)on2)n1 583651067 GWZVWGPVDGZLCS-UHFFFAOYSA-N 300.240 2.719 0 40 DFAB Cc1cnc([C@H](NS(=O)(=O)c2cccs2)C2CC2)s1 96428438 NMMZOOZRBIPSPK-LLVKDONJSA-N 314.457 2.943 0 40 DFAB Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)n[nH]1 246258731 JFLXMPTVOLAYQD-KHDYIWLOSA-N 309.413 2.669 0 40 DFAB Cc1nc[nH]c1CN(C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257230602 GDAWHJZNIXTDKH-SQNIBIBYSA-N 315.417 2.511 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 257250530 JMXIPPPIWOPFJA-CQSZACIVSA-N 313.401 2.675 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@H](Cc2ccccn2)C1 257345049 ZZTCLPYNKALTLZ-GFCCVEGCSA-N 316.430 2.590 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(Cn2ccnc2)c1 51257956 BUNVWILTGMOSOM-HNNXBMFYSA-N 320.396 2.950 0 40 DFAB CCC(=O)NC[C@@](O)(CC)c1ccc(Br)cc1 89941761 DSMAEIWKQYKBJC-ZDUSSCGKSA-N 300.196 2.573 0 40 DFAB C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(Br)s1 95421153 WNPUIYUQQPQYSA-IUCAKERBSA-N 315.240 2.841 0 40 DFAB OC1(Cc2ccc(Cl)c(Br)c2)CCNCC1 1083806426 XLYISALZTDMKLM-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB Cc1ccccc1C[C@@]1(CO)CN(C2CCCCC2)CCO1 1615142577 OKGNXJZMZTWQON-IBGZPJMESA-N 303.446 2.934 0 40 DFAB COc1cc(OC)cc(OCC(=O)N[C@H](C)c2ccccc2)c1 5497174 SEUPCKSZZMPERA-CYBMUJFWSA-N 315.369 2.960 0 40 DFAB C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 5764527 OLPSAOWBSPXZEA-JIEICEMKSA-N 304.430 2.850 0 40 DFAB endogenous,in-man C[C@@H](Oc1ccc(/C=C2/SC(=S)N=C2O)cc1)C(=O)O 16905196 HQNPFRQQMYKSJB-VSUWBIFXSA-N 309.368 2.868 0 40 DFAB O=C(NCCCCc1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17053409 FGHCKURSFXJJHL-VVLHAWIVSA-N 315.413 2.872 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C 12442994 ZILBTRXTILSESL-UHFFFAOYSA-N 317.736 2.684 0 40 DFAB O=C(O)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 206581570 NKFMFERBUHORRV-AWEZNQCLSA-N 322.368 2.722 0 40 DFAB CC(C)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 10463210 RKOXOABSOLDOJP-UHFFFAOYSA-N 311.325 2.910 0 40 DFAB O=C(CCCc1ncc(-c2ccccc2)o1)Nc1c[nH]ccc1=O 40151650 XPTFEMGHUVECPW-UHFFFAOYSA-N 323.352 2.991 0 40 DFAB CCc1nnsc1C(=O)Nc1cccc(Cn2ccnc2)c1 30687961 IFRDGQMVJNPJHH-UHFFFAOYSA-N 313.386 2.598 0 40 DFAB Cc1c(C(=O)N2CCOC[C@@H]2C)cnn1-c1cccc(Cl)c1 40509683 IROLIKIDCCAGKG-NSHDSACASA-N 319.792 2.695 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 20550786 GFWPIHXMEISUJX-NSHDSACASA-N 301.264 2.785 0 40 DFAB C[C@@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 101386919 XJGUOILTVZHYGI-WMZOPIPTSA-N 313.445 2.836 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)[C@H]1c1ccccc1 20731382 VYUMFQNVAGBGBM-CXAGYDPISA-N 312.344 2.984 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1 87691 ZFDCCSJSPIQLSH-STQMWFEESA-N 305.399 2.638 0 40 DFAB O=C(c1ccco1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 269900 MLZOQSJEXLROFX-RNCFNFMXSA-N 316.279 2.923 0 40 DFAB Cc1sc2ncnc(N3CCC[C@H](n4cncn4)C3)c2c1C 69697519 GVCRAKFCTPNOND-LBPRGKRZSA-N 314.418 2.741 0 40 DFAB C[C@@H](C(=O)NCc1cc(Br)cs1)n1cccn1 46258259 UVKWDQBKJYHLOD-QMMMGPOBSA-N 314.208 2.585 0 40 DFAB O=C(NCc1ccc(Br)c(F)c1)C1CCOCC1 69619466 DHQQWQULUYRWNU-UHFFFAOYSA-N 316.170 2.631 0 40 DFAB Cc1ccc(CNC(=O)c2cn(C)nc2C)c(OCC2CC2)c1 84146288 NNSIOUWPJJLZBJ-UHFFFAOYSA-N 313.401 2.756 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H]1c1ccsc1 46464755 HHTXQGDBGKUNML-GXTWGEPZSA-N 304.419 2.880 0 40 DFAB Cc1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1 3648585 QRXVUEIQCBGIHB-UHFFFAOYSA-N 321.380 2.774 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2 4835324 YRBYZQARGXAZKV-JTQLQIEISA-N 302.355 2.930 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1 540667 XPJJIRYVQMQRBO-OAHLLOKOSA-N 318.417 2.745 0 40 DFAB CN(CCCNC(=O)CCc1ccsc1)CC(F)(F)F 46833258 XLFPTOKSARKWHP-UHFFFAOYSA-N 308.369 2.681 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1c(F)cccc1F 9549626 VHVZFSNTLOIRIP-AWEZNQCLSA-N 322.311 2.641 0 40 DFAB NC(=O)CN(C(=O)CCc1ccc(Cl)cc1)C1CCCC1 47236771 YNBNXUZYOKUSQQ-UHFFFAOYSA-N 308.809 2.529 0 40 DFAB NC(=O)c1ccc(COc2ccc(NC(=O)C3CC3)cc2)cc1 54245889 GGHUZBVUNLGKJQ-UHFFFAOYSA-N 310.353 2.713 0 40 DFAB O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cnns1 97055842 XENVPSZQDUVGMN-VIFPVBQESA-N 323.246 2.850 0 40 DFAB CCCOC(=O)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 57353834 SUJLWXMMBXEVCH-UHFFFAOYSA-N 310.357 2.878 0 40 DFAB O=C(c1ccc(I)cc1)c1ccccn1 43210473 BAYDXHJYEKPKFH-UHFFFAOYSA-N 309.106 2.917 0 40 DFAB CC[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(OC)cc1 24950009 ZYEUBZZYRDECRX-HNNXBMFYSA-N 314.341 2.664 0 40 DFAB COc1ccccc1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25329098 KKKWPNILMLSTCK-HNNXBMFYSA-N 318.442 2.718 0 40 DFAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](O)C1 25495924 CINCMHVRPDWHHO-OAHLLOKOSA-N 309.365 2.515 0 40 DFAB CCc1nn2c(=O)cc(CNc3cc(F)ccc3F)nc2s1 25894735 JQWGWNKTFCYWMF-UHFFFAOYSA-N 322.340 2.604 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1ccccc1 43832470 KJJMVJWIRKCNDZ-UHFFFAOYSA-N 318.398 2.720 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)NCc1ccc(F)cc1 57369590 UFQLHAKOABLPGH-LBPRGKRZSA-N 302.349 2.951 0 40 DFAB COC[C@](C)(NC(=O)c1ccc(O)cc1F)c1ccccc1 97046611 HFVARCYPJMZGIB-KRWDZBQOSA-N 303.333 2.823 0 40 DFAB COc1ccccc1CNc1c(NCc2ccccc2)c(=O)c1=O 101658738 VDUVGEWWMSBVFT-UHFFFAOYSA-N 322.364 2.515 0 40 DFAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)n[nH]1 58151452 NTROQTLHWOAOFY-SECBINFHSA-N 320.418 2.526 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1nnc(-c2ccco2)s1 44889498 VBUWGAFEDFSHJF-UHFFFAOYSA-N 318.358 2.974 0 40 DFAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CC2)c1 22971904 RHNYZGXJHIWZFS-UHFFFAOYSA-N 316.430 2.832 0 40 DFAB NC(=O)c1ccc(Cl)cc1OCc1nc(-c2ccco2)no1 58217506 OQEQZQXRUWPJIF-UHFFFAOYSA-N 319.704 2.661 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@H](C)C2)c1 48258394 UDQKGDOFIRMHTB-GFCCVEGCSA-N 305.378 2.596 0 40 DFAB CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(=O)n(C)c2)c1 58282094 DMOLYOOQXZFOST-CYBMUJFWSA-N 314.385 2.915 0 40 DFAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1CCCC1 3398808 GSEZZLYGVFYKHO-UHFFFAOYSA-N 322.836 2.995 0 40 DFAB O=C(CCCSc1ccccc1)Nc1nn2cnnc2s1 3334228 CFEYEDDAVISXID-UHFFFAOYSA-N 319.415 2.697 0 40 DFAB C[C@@H](C(=O)NCC1CCC1)n1c(S)nnc1-c1cccs1 58424243 DIEPUZQAHLAVJJ-VIFPVBQESA-N 322.459 2.773 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCc3sccc3C2)cc1 10885161 WQGLOSMXGNKPIF-UHFFFAOYSA-N 300.383 2.905 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 12775492 FZFWKYMUYYWJPL-VSGCLNPGSA-N 323.348 2.974 0 40 DFAB Cn1cc(CC(=O)N2CCC[C@H]2Cn2cccn2)c2ccccc21 69950666 KEKMGFAFLMLXQT-INIZCTEOSA-N 322.412 2.609 0 40 DFAB Nc1nc(Cl)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 24056255 VZYRDXRKEUJYKV-UHFFFAOYSA-N 324.215 2.692 0 40 DFAB COc1ccc2cc(CN(C)C(=O)CC(C)C)c(=O)[nH]c2c1 3985028 YWHXFBGNIDYBHN-UHFFFAOYSA-N 302.374 2.541 0 40 DFAB biogenic NC(=O)CC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 49393018 YIYIJKNSJFDJTK-UHFFFAOYSA-N 320.389 2.768 0 40 DFAB CC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 76021799 UZCAAILBCKYHDJ-DGCLKSJQSA-N 308.809 2.998 0 40 DFAB Cc1c(Sc2nnnn2C(C)(C)C)c(=O)[nH]c2ccccc12 8883511 VJYHAGLPNHSLJJ-UHFFFAOYSA-N 315.402 2.729 0 40 DFAB CC[C@H](C)[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)OC 4301744 RQJHLZUJSYUYFI-GWCFXTLKSA-N 312.797 2.727 0 40 DFAB Cc1c(O)c2c(=O)n(-c3ccccc3)c3c(c2oc1=O)CCCC3 6268948 DQJUOGVQLLVFPH-UHFFFAOYSA-N 323.348 2.837 0 40 DFAB C[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1c1cccc(F)c1 96445563 KTGKBNROHXPIKK-YVEFUNNKSA-N 314.360 2.748 0 40 DFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@@H]3C)c2C)no1 6641808 CSYIALQIPYQCGM-ZANVPECISA-N 316.357 2.772 0 40 DFAB c1ccc(-c2nc(COc3ncn(-c4ccccc4)n3)n[nH]2)cc1 5770246 JYMAEYSORNFNIS-UHFFFAOYSA-N 318.340 2.631 0 40 DFAB O=C(Cc1coc2ccc3ccccc3c12)NCC(=O)NC1CC1 6989974 JYFAMPAXQCPIQU-UHFFFAOYSA-N 322.364 2.523 0 40 DFAB CC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 7056234 UPGMJODIZBORLJ-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)/C=C/c2cccc(F)c2)C1 15981149 MZXBQWBRVIPQBT-RNBGUABESA-N 319.376 2.887 0 40 DFAB CC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 7737448 RILWFFJXLRHKRD-QMMMGPOBSA-N 303.189 2.638 0 40 DFAB O=C(NCc1ccccn1)c1cc(F)ccc1Br 8073375 PFKQKOMIVJICOK-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB C[C@H](OC(=O)c1ccsc1)C(=O)NCCc1ccccc1 8256194 JWRKESDNEZYDMI-LBPRGKRZSA-N 303.383 2.652 0 40 DFAB C[C@H]1CCOCCN1C(=O)NCCCSc1ccccc1 91592058 BHXMLTUSAKQEFZ-AWEZNQCLSA-N 308.447 2.989 0 40 DFAB Cc1nc2cc(NS(=O)(=O)c3ccccc3F)ccc2n1C 83577635 HUGFZTLQAHAPME-UHFFFAOYSA-N 319.361 2.822 0 40 DFAB CO[C@H](C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)c1ccccc1 71869847 WSTYWQVTMGNRBZ-SJORKVTESA-N 313.401 2.570 0 40 DFAB O=C(Nc1ccncc1)N(CCCO)[C@@H]1CCc2ccccc21 72285555 RIZKLFPVSRZZII-QGZVFWFLSA-N 311.385 2.985 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)C2CCOCC2)C1 71915772 PNUOPAGRTXGNER-CABCVRRESA-N 323.458 2.682 0 40 DFAB C[C@@H](C(=O)NC1CC1)N(C)Cc1cc(Br)cs1 83966467 WWODPAOSDCFHHU-QMMMGPOBSA-N 317.252 2.610 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2NC1=O 9722215 WUVJUTCSJKEMJQ-MRVPVSSYSA-N 318.279 2.937 0 40 DFAB CC(C)C[C@H](C)NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97143137 JHHIGIQSVLKZFK-HOTGVXAUSA-N 318.465 2.904 0 40 DFAB COc1ccccc1NC(=O)CN[C@@H]1CC(C)(C)OC1(C)C 97103327 BBUZXKFAYHKBSK-CQSZACIVSA-N 306.406 2.569 0 40 DFAB Cc1cc([C@@H](C)NCC(=O)Nc2c(C)n[nH]c2C)c(C)s1 97109661 NLQIVFUDJRBMDC-SECBINFHSA-N 306.435 2.994 0 40 DFAB CCc1cc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)n(C)n1 78988514 KSGYXZJVWZTELI-GDBMZVCRSA-N 314.389 2.634 0 40 DFAB CCCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC)CC1 95446392 KFKONJFGQLZUFK-ZDUSSCGKSA-N 307.442 2.850 0 40 DFAB COc1cc(/C=C/C(=O)Nc2cnccc2OC)ccc1F 95435921 VGIKPLWOLMWZAZ-GQCTYLIASA-N 302.305 2.890 0 40 DFAB C[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(C(C)(C)C)cc1 95403630 CFHIRGNIUJWGMX-XJKSGUPXSA-N 304.434 2.540 0 40 DFAB CC[C@@H]1CN(Cc2nccn2C(C)C)CCN1CC(F)F 95980456 PCNCAMKRMMYLIY-CYBMUJFWSA-N 300.397 2.625 0 40 DFAB Cc1cccc(-n2c(C)nnc2SCc2nccc(N)n2)c1 95972378 AHLSYWOQQXBEJT-UHFFFAOYSA-N 312.402 2.549 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc[nH]1 89767966 VJXVUAZSFVLOSR-UHFFFAOYSA-N 300.145 2.525 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 89938537 SMUYUZYPXAEKNV-AWEZNQCLSA-N 311.385 2.650 0 40 DFAB COc1ccccc1C(=O)NCc1ccc(-n2ccnc2)cc1 20110851 NSJGMLGOKLLESJ-UHFFFAOYSA-N 307.353 2.811 0 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DDVQXTBNWIRFLJ-UHFFFAOYSA-N 301.773 2.600 0 40 DFAB COc1ccc(CC2=NN[C@H]3CC(C)(C)CC(=O)[C@H]23)cc1OC 228925560 RZYHVMJUGXAPDA-SUMWQHHRSA-N 316.401 2.579 0 40 DFAB CC(=O)N1CCN(c2ccc(Cl)cc2-n2cccc2)CC1 226246297 SQHVHUCIABIPAK-UHFFFAOYSA-N 303.793 2.799 0 40 DFAB CCOCCCNC(=O)C1CCN(CC2CCCCC2)CC1 41622967 MMRUOHDNIIHUSL-UHFFFAOYSA-N 310.482 2.822 0 40 DFAB O=C(Cc1cccs1)N(CC(F)(F)F)[C@H]1CCCOC1 87389879 JMUPBMDMORKIHJ-JTQLQIEISA-N 307.337 2.861 0 40 DFAB O=C(NCc1ccco1)c1snnc1-c1ccc(F)cc1 225777551 WDLZUEKFEXTQEE-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB COc1ccc(CCNC(=O)Cc2sc(C)nc2C)cc1 41179636 KQYHWQDAOCIZJK-UHFFFAOYSA-N 304.415 2.670 0 40 DFAB COC(=O)[C@H](c1ccccc1C)N1CC[C@@H]2OCCC[C@@H]2C1 195565838 UZCDJECSIJDSTP-PVAVHDDUSA-N 303.402 2.710 0 40 DFAB CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cccnc2)n1 41122826 VXWBNINBLCMTTK-ZDUSSCGKSA-N 300.362 2.955 0 40 DFAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CC[C@H](Cc2ccccc2)C1 225514323 OLUVIYGPCKCLHK-HZPDHXFCSA-N 309.413 2.606 0 40 DFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccccc2)c1 225966980 JIUVPVZSUJFMMI-UHFFFAOYSA-N 318.398 2.725 0 40 DFAB COc1cccc(-c2nnsc2C(=O)NC2CCCC2)c1 225764477 KAPRKZHTVFYXSP-UHFFFAOYSA-N 303.387 2.886 0 40 DFAB Cc1noc([C@@H]2COCCN2CCSCc2ccccc2)n1 192775096 XVLHZPFNMXJFJG-HNNXBMFYSA-N 319.430 2.685 0 40 DFAB CCc1ccc(CC)c(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1 81638237 QTQNXVCPUWQEAC-GFCCVEGCSA-N 305.422 2.657 0 40 DFAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1 96402286 JEFCNHUVJFRKMJ-UHFFFAOYSA-N 302.827 2.503 0 40 DFAB COC(=O)c1[nH]c2cccc(F)c2c1I 96517698 UNEARLUJTIOHFI-UHFFFAOYSA-N 319.073 2.698 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccc(F)c1)C2 96201073 ZKNAEHMIRWHZAX-UHFFFAOYSA-N 316.424 2.878 0 40 DFAB CCc1ocnc1C(=O)OC[C@H]1CCN(c2ccccc2)C1 96442374 OKGSOVNCUSKLHQ-ZDUSSCGKSA-N 300.358 2.920 0 40 DFAB CS[C@H]1CC[C@@H](NC(=O)NCc2cn3c(C)cccc3n2)C1 96440601 VVNKPLZTLISFAP-OCCSQVGLSA-N 318.446 2.726 0 40 DFAB CC[C@@H](C)c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2F)on1 96437386 GSWLFIHFKKFNKQ-NOZJJQNGSA-N 324.327 2.930 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1(C)C 96418966 HQRYTLJSPBFKKC-HOTGVXAUSA-N 321.465 2.632 0 40 DFAB COC[C@@H]1CN(C(=O)NCC2(C3CCC3)CCC2)CC(C)(C)O1 333588430 BGFUNMISEOPTKI-HNNXBMFYSA-N 324.465 2.792 0 40 DFAB CC[C@@H]([C@H](N)c1ccc(Br)cc1)S(=O)(=O)CC 96524927 ZBEIKTBLKSBPIH-NWDGAFQWSA-N 320.252 2.662 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2cnoc2C)cc1 583624118 RSOYSUGXKWWZKN-ZWKOTPCHSA-N 316.401 2.864 0 40 DFAB Cc1noc(C)c1CN1CCC[C@H](NC(=O)c2cccs2)C1 98211924 JSXCTEZUCFJAIX-ZDUSSCGKSA-N 319.430 2.747 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC3(CCC3)C2)c1 97238194 GPDLEDYZRAZUEJ-UHFFFAOYSA-N 307.415 2.673 0 40 DFAB CO[C@@H](C)C(=O)NCCc1nc(-c2ccccc2)c(C)s1 96449579 KYQZFJKGYUMXGR-NSHDSACASA-N 304.415 2.812 0 40 DFAB Cc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cn1 248100111 NQQDMGBKWNQXSY-OAHLLOKOSA-N 318.442 2.517 0 40 DFAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cncs2)ccn1 257250761 JNXAVKXVYRXUDS-LBPRGKRZSA-N 302.403 2.581 0 40 DFAB O[C@@H]1[C@@H](NCCc2ccccn2)CCC[C@H]1Oc1ccccc1 585289961 YFWXDQMCIWFDDS-IPMKNSEASA-N 312.413 2.575 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCO[C@H]2CCCC[C@H]21 46483171 RHOXBFPXZCLCIJ-CABCVRRESA-N 313.357 2.520 0 40 DFAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCO1 47832598 FFJBFWCVWIRTBZ-ZJUUUORDSA-N 301.358 2.741 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1cc(C2CC2)nn1C(C)(C)C 48129053 WAWFRBKFVAZNBA-LBPRGKRZSA-N 315.421 2.531 0 40 DFAB Cc1ccccc1CC(C)(C)NC(=O)c1cc2c([nH]c1=O)CCC2 69393181 SOVAPGHDTSLCKD-UHFFFAOYSA-N 324.424 2.923 0 40 DFAB c1ccc2c(N3CCN(C[C@H]4CCCO4)CC3)nsc2c1 1207849773 GKYVWGVWLKCVPG-CYBMUJFWSA-N 303.431 2.597 0 40 DFAB O=C(Nc1ccccc1Cl)N[C@H]1CCN(C2CCOCC2)C1 1202071015 VVQDLMAHCBZWBM-LBPRGKRZSA-N 323.824 2.715 0 40 DFAB CC(C)N1CC[C@H](CNCc2c[nH]nc2-c2cccs2)C1 40623324 HSRQSVXWFVPGOV-CYBMUJFWSA-N 304.463 2.958 0 40 DFAB COc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 5115190 LXOFUHDNTBZZOF-ZDUSSCGKSA-N 313.353 2.729 0 40 DFAB CCOc1ccc(OS(=O)(=O)c2cccc(C(=O)O)c2)cc1 11691521 BTMBGQIZZHCPGT-UHFFFAOYSA-N 322.338 2.551 0 40 DFAB CC(C)(C)NC(=O)Cn1cncc1-c1cnn(-c2ccccc2)c1 19719704 RUZVNXDAQQGANS-UHFFFAOYSA-N 323.400 2.651 0 40 DFAB Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCCC2)n1 19960329 ZXLRUPQAWHVXLV-UHFFFAOYSA-N 324.432 2.833 0 40 DFAB Cc1nc2ccccc2nc1COC(=O)Cc1c(C)noc1C 12792142 RYVRMIJJVNIFKY-UHFFFAOYSA-N 311.341 2.829 0 40 DFAB COc1ccc(CC(=O)NCCc2ccc(N(C)C)cc2)cc1 11693591 PVDSEBGWFYWKGX-UHFFFAOYSA-N 312.413 2.663 0 40 DFAB COc1cccc(OC)c1OC[C@H](O)CSc1ccccn1 11692562 NXQIVJZTXIUGPV-LBPRGKRZSA-N 321.398 2.631 0 40 DFAB CC(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 13009790 CRYKJRCRJMMASG-UHFFFAOYSA-N 322.372 2.981 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 2055830225 HZSBVCKTUDRNJS-RDTXWAMCSA-N 318.417 2.657 0 40 DFAB CSc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccco1 42381899 QCJZWHLNHMSQTP-LLVKDONJSA-N 318.398 2.687 0 40 DFAB O=C(O)c1cc(-c2cccnc2)nc2cc3c(cc12)OCCO3 20284642 KCADBOFODJKLJJ-UHFFFAOYSA-N 308.293 2.766 0 40 DFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)cc2)c1 63643 RNCGFQXYRLRALR-UHFFFAOYSA-N 323.345 2.577 0 40 DFAB Cc1noc(C)c1C(=O)NCc1cccnc1OC1CCCC1 40515468 GTFQPJRVFTXKOE-UHFFFAOYSA-N 315.373 2.938 0 40 DFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 241645 ZESZQNDKZAMDSR-MRVPVSSYSA-N 322.224 2.535 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 147029 PFBACOPKKGFQDF-UHFFFAOYSA-N 305.355 2.567 0 40 DFAB O=C(NCCSCc1ccccc1)NCc1cccnc1 29657456 NHAPXRYHRGDCPY-UHFFFAOYSA-N 301.415 2.814 0 40 DFAB c1cnn(-c2ccc(CN3CCCC[C@@H]3C3OCCO3)cc2)c1 69290030 VYIRZTRVTLKHTQ-QGZVFWFLSA-N 313.401 2.600 0 40 DFAB O=C(Nn1cnnc1)[C@H](Sc1ccccc1)c1ccccc1 253556 IRHHFEIPNYMCJH-OAHLLOKOSA-N 310.382 2.882 0 40 DFAB O=C(NCC1CC1)c1cnn(-c2ccccc2F)c1-n1cccc1 29792129 QZZPEOPRFGMEJF-UHFFFAOYSA-N 324.359 2.942 0 40 DFAB O=C(CC(=O)c1ccc(Cl)cc1)NC(=O)c1ccccc1 1704676 UMBRGMFAQQXQLE-UHFFFAOYSA-N 301.729 2.869 0 40 DFAB CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 32815945 YSFCEOWWNYXJPH-INIZCTEOSA-N 316.445 2.773 0 40 DFAB CC(C)N(CC(N)=O)C(=O)c1ccc(-c2ccc(F)cc2)s1 60559494 AHEHATIHNFXKJB-UHFFFAOYSA-N 320.389 2.890 0 40 DFAB C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 76092495 ALHSQEDYVRLGQY-OCCSQVGLSA-N 318.377 2.880 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 6587006 FNWDSCHVXZWHDG-UHFFFAOYSA-N 323.345 2.788 0 40 DFAB CC(=O)Nc1nc(C(=O)N[C@H](c2ccccc2)C2CC2)cs1 32928954 ZXRGKUONNQVBJK-CQSZACIVSA-N 315.398 2.983 0 40 DFAB CC(C)(C(=O)NCc1ccc(NC(N)=O)cc1)c1ccccc1 32904684 OKSPMEOGGOYCTN-UHFFFAOYSA-N 311.385 2.771 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)no1 21835766 LVGHFKSWGVDQRA-HNNXBMFYSA-N 314.389 2.942 0 40 DFAB C[C@H](NC(=O)COC(=O)Cc1cccs1)c1ccc(F)cc1 10530646 JJBLDQANGGEZMB-NSHDSACASA-N 321.373 2.850 0 40 DFAB CCc1ccsc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 53008152 IVAJBPAWLCBXID-UHFFFAOYSA-N 324.427 2.934 0 40 DFAB CSCC[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C 76018049 KMPSVHQPXVXXHF-AAEUAGOBSA-N 315.508 2.792 0 40 DFAB Cc1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1 23755291 WNBCLLMBOMPXTK-UHFFFAOYSA-N 313.386 2.739 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccn1 43167335 GRWXYOIRCASZIP-ZDUSSCGKSA-N 300.362 2.633 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 106135140 AYQLLXXTVXLONO-OIISXLGYSA-N 302.418 2.507 0 40 DFAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCc3ccccc3C1)OC2=O 100260375 BCOOHAJVMHYSQG-RTBURBONSA-N 313.397 2.693 0 40 DFAB COc1cc(C(=O)Nc2ncccc2O)ccc1OC(F)F 12526953 XDZRNLBIKQLBKW-UHFFFAOYSA-N 310.256 2.650 0 40 DFAB Cc1nc(C)c(C(=O)Nc2cccc(C(=O)N(C)C)c2)s1 55487146 GLNKRPLOGDUVHA-UHFFFAOYSA-N 303.387 2.714 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](C)c1c(C)noc1C 106662089 NPXWUVKHOHKOPY-WQVCFCJDSA-N 319.449 2.870 0 40 DFAB COC(=O)CNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 55879566 NHMGZIWDVMPJEE-LLVKDONJSA-N 324.808 2.940 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCC1(c2ccccc2)CC1 76021024 FNQHKHJIYPIDBE-OAGGEKHMSA-N 314.429 2.831 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nncn1C(C)C 76996202 VBNKOIPHNBNMIE-JKSUJKDBSA-N 312.417 2.630 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccccc1 57355436 MMGKWLVMRNRLOY-NVXWUHKLSA-N 312.369 2.506 0 40 DFAB CCc1cc2c(=O)n(Cc3noc4c3CCCC4)cnc2s1 108661178 VMQQTXWHRMVCDP-UHFFFAOYSA-N 315.398 2.936 0 40 DFAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 44572416 XVBRMLQZCYQQIH-OCCSQVGLSA-N 310.825 2.708 0 40 DFAB Cc1noc([C@@H](C)Nc2ccc(N3CCOCC3)cc2C)n1 27182083 YVJQFJDDHXKNPY-GFCCVEGCSA-N 302.378 2.696 0 40 DFAB COc1cc(CNc2cnn(C)c2)cc(Br)c1O 35737898 PBCHRBVBGXRXPN-UHFFFAOYSA-N 312.167 2.509 0 40 DFAB in-vitro Cn1ccc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc1=O 44605160 FYBMVNPSTBXZED-QGZVFWFLSA-N 324.405 2.966 0 40 DFAB CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(C)(=O)=O 58017023 QLJWDIGQTQPFNY-UHFFFAOYSA-N 321.446 2.681 0 40 DFAB COC(=O)[C@H](C)CN(C)Cc1csc(Cc2ccccc2)n1 48289711 KQFIYWMDFUQYEK-CYBMUJFWSA-N 318.442 2.975 0 40 DFAB Cc1cnc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58218902 VJQMKQKZYNCMNV-UHFFFAOYSA-N 306.297 2.925 0 40 DFAB C[C@@H](CC(=O)NCC(=O)Nc1nccs1)c1ccc(F)cc1 58229846 XVYDMVPBNULMII-JTQLQIEISA-N 321.377 2.531 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2noc(CC(C)C)n2)cc1C 44947860 RTYHMDJLLBHMNQ-UHFFFAOYSA-N 308.403 2.859 0 40 DFAB COC[C@@H](C)NCC(=O)Nc1ccc(SC(F)F)cc1 3310083 VBQDOYBKQAXTPR-SECBINFHSA-N 304.362 2.564 0 40 DFAB CN(C(=O)CNc1ccc(Cl)cc1C(N)=O)c1ccccc1 58393519 KZLMPYOZAGCJJG-UHFFFAOYSA-N 317.776 2.514 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 3392356 ZNNLXWDBWIUVNT-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CC(=O)N(C)CC(=O)NCc1ccc(Oc2ccccc2)cc1 69347863 VHLFSRNSLUHFSG-UHFFFAOYSA-N 312.369 2.573 0 40 DFAB Cc1ccc(-c2nc3ccc(Cl)cc3n2OCC(N)=O)cc1 2508525 UXAJFJRSEWYUEC-UHFFFAOYSA-N 315.760 2.579 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1Cl 12946636 YNUTVOAAIABNBS-WDEREUQCSA-N 309.749 2.954 0 40 DFAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccco2)no1 69483694 MSWGXSKPYXWAGI-JSGCOSHPSA-N 303.362 2.590 0 40 DFAB O=C(CCOc1ccccc1F)N1CCC[C@H](n2cccn2)C1 69432736 GFSPEIMJEYSMOE-AWEZNQCLSA-N 317.364 2.655 0 40 DFAB COc1ccc(N)cc1S(=O)(=O)Nc1ccccc1Cl 3885517 ACZSCGAIKRDEPA-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB Cc1cccc(NC2CCN(CC(=O)OC(C)(C)C)CC2)n1 69978630 MVJCLNZQTQBEIN-UHFFFAOYSA-N 305.422 2.608 0 40 DFAB Cc1c([C@@H]2CCCN2C(=O)c2cc(F)ccc2O)cnn1C 91699921 KRTHOYXVMAKUTN-AWEZNQCLSA-N 303.337 2.551 0 40 DFAB COC(=O)[C@H](NC(=O)[C@H]1CC=CCC1)c1cc(F)ccc1F 69566002 KTJAWUYEKDDMLG-IINYFYTJSA-N 309.312 2.651 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 69532683 DQRMUTRMMKMUSM-HNNXBMFYSA-N 302.418 2.619 0 40 DFAB Cc1nnc2n1CCN(CCOc1cccc3ccccc13)C2 69531930 KABPRJSEMLOQCC-UHFFFAOYSA-N 308.385 2.634 0 40 DFAB CC1CCN(C(=O)COC(=O)c2cn(C)c3ccccc23)CC1 5261368 GTCDLMZXXXWIBQ-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1 4468850 QPXFNOWMNMDTGM-IBGZPJMESA-N 306.365 2.970 0 40 DFAB CCN(Cc1cccc(F)c1)Cc1cc(=O)n2ccsc2n1 14139485 LHCUZBRHBCYSNS-UHFFFAOYSA-N 317.389 2.917 0 40 DFAB O=C(NC[C@@H](NC(=O)C1CCC1)C1CCCCC1)C1CCC1 69739860 ZHGVFGGZEMDWNX-MRXNPFEDSA-N 306.450 2.768 0 40 DFAB COc1cccc(S(=O)(=O)CCSc2ccc(O)cc2)c1 69879348 KXLOWRZYQHMZJR-UHFFFAOYSA-N 324.423 2.967 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccoc1)c1ccccc1Cl 8707554 RURKWISBKCVFNJ-CYBMUJFWSA-N 307.733 2.967 0 40 DFAB CCc1nnc(NC(=O)c2ccc(NC(=O)C3CC3)s2)s1 8744637 GEFAVSQFLCVWQE-UHFFFAOYSA-N 322.415 2.763 0 40 DFAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCCCCCC1 7015372 ZDEJIEWIFDSCRS-MRXNPFEDSA-N 321.417 2.559 0 40 DFAB Cc1ccc([C@@H](CNC(=O)Nc2nnc(C)s2)N(C)C)cc1 67507463 LKIUCDZWCGDVGS-CYBMUJFWSA-N 319.434 2.579 0 40 DFAB Cc1ccn(-c2ccccc2NCc2cc(C(N)=O)cs2)n1 90201010 ZMBDBGOPSQKEAC-UHFFFAOYSA-N 312.398 2.953 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2NC1=O 8937830 KLPOLHRUIPRGFW-XPUUQOCRSA-N 315.156 2.538 0 40 DFAB Cc1ccccc1CN(C)C(=O)c1nn(C)c(=O)c2ccccc12 68786286 JCFGOPCLOMZVTJ-UHFFFAOYSA-N 321.380 2.514 0 40 DFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCC1 8156734 XETRIVHGQLEXIV-UHFFFAOYSA-N 317.414 2.872 0 40 DFAB Cn1nc(C(=O)OCCCc2ccccc2)c2ccccc2c1=O 8150643 QOLURQFDWIMRJQ-UHFFFAOYSA-N 322.364 2.723 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NCc1noc(C(C)(C)C)n1 72288684 KMDFMXHXJPOXRE-GFCCVEGCSA-N 317.389 2.589 0 40 DFAB Fc1ccc(-c2nnc3n2C[C@@H](NCc2ccco2)CC3)cc1 96002613 ZYEHDIGDUYWWLR-AWEZNQCLSA-N 312.348 2.782 0 40 DFAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1O 97143456 KWGHMZORHNOOLV-YJBOKZPZSA-N 324.424 2.571 0 40 DFAB Cc1cccc(Cn2nccc2NC(=O)Nc2cnn(C)c2)c1 97102639 XPLHFASJHOMPEY-UHFFFAOYSA-N 310.361 2.617 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 9652064 PHLGTQUAMQCWGL-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB O=C([C@@H]1COCCO1)N1Cc2ccccc2-c2ccccc2C1 72078348 IKJUUSXDFDEXKG-SFHVURJKSA-N 309.365 2.611 0 40 DFAB Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)on1 9882158 WUKYFQMRLHCNEG-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB C[C@H](CC(=O)NCc1ccco1)CC(=O)N1CCCCCC1 9850596 BCFQTQOGAYJRMH-CQSZACIVSA-N 306.406 2.715 0 40 DFAB CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1cc(F)ccc1F 78869593 VRNURHQJBKOVAS-OAHLLOKOSA-N 318.323 2.945 0 40 DFAB COC[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1 78936286 OJMHWBVSKCTMKM-JTQLQIEISA-N 319.188 2.873 0 40 DFAB O=C(NCCN[C@@H]1CC2(CCC2)Oc2ccccc21)C1CC1 95419335 KRKXVZJNAJOVHA-OAHLLOKOSA-N 300.402 2.549 0 40 DFAB COc1ccc(C(F)(F)C(=O)N(C)c2cccnc2OC)cc1 95439567 XNIVFBJRXOJWHM-UHFFFAOYSA-N 322.311 2.854 0 40 DFAB Cc1cc(C)cc(C[S@@](=O)CCNC(=O)C2CCCC2)c1 95426004 XGUHRDWIKNENLP-OAQYLSRUSA-N 307.459 2.859 0 40 DFAB CC(C)N1CCO[C@H](c2noc(C3(c4ccccc4)CC3)n2)C1 95999226 REWRVHMPELINOS-HNNXBMFYSA-N 313.401 2.931 0 40 DFAB O=C(O)C[C@@H](NC(=O)CSC(F)(F)F)c1cccs1 95949114 YTOGVVQMUAWYBQ-ZCFIWIBFSA-N 313.322 2.633 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)C2CCOCC2)cc1 74521187 XHQKTTMZQMAGOS-DLBZAZTESA-N 303.402 2.758 0 40 DFAB O=C(Nc1cccnc1-n1cncn1)N(C1CCCC1)C1CC1 89774290 SPOGKODTEUXLBW-UHFFFAOYSA-N 312.377 2.601 0 40 DFAB O=C(NCC(=O)N1CCCC1)[C@H]1C[C@H]1c1cccc2ccccc12 89873193 XJSPBQBMRAWAEM-ROUUACIJSA-N 322.408 2.682 0 40 DFAB CCN1CCC(NC[C@H](c2cccs2)N2CCCC2)CC1 22935292 MBTYWVBAWTXARV-MRXNPFEDSA-N 307.507 2.959 0 40 DFAB O=C(NCCCN1CCc2ccccc2C1)Nc1nccs1 43160537 ZIVLTQOHRDPXJY-UHFFFAOYSA-N 316.430 2.713 0 40 DFAB Cc1ccc(COc2ccc(/C=C/C(=O)NCCO)cc2)cc1 62715049 JUWNFFDAYBXGKV-DHZHZOJOSA-N 311.381 2.696 0 40 DFAB CCOC(=O)C(C)(C)[C@]1(c2ccc(OC)cc2)CCC(=O)O1 3843415 APNWZQPAXNBSGQ-QGZVFWFLSA-N 306.358 2.817 0 40 DFAB biogenic Cc1n[nH]c(SCC(=O)Nc2cccc(C(C)(C)C)c2O)n1 185831207 KOJQNIRUWLNPNV-UHFFFAOYSA-N 320.418 2.847 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]2CC=CCC2)cc1 129450685 IVKLWLGLFIQPCD-LSDHHAIUSA-N 321.442 2.630 0 40 DFAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)C1CC1 32502457 QHBUIVWCTTXTCL-UHFFFAOYSA-N 312.417 2.871 0 40 DFAB C[C@H](NC1(CNC(=O)[C@@H]2C[C@H]2C)CCOCC1)c1ccccc1 79096256 SYOBOMBPOZRWFH-HLLBOEOZSA-N 316.445 2.659 0 40 DFAB CC(=O)N1CCC(N[C@@H](C)c2cnn(C3CCCC3)c2)CC1 558623817 RQTAHQNOZWXILQ-ZDUSSCGKSA-N 304.438 2.660 0 40 DFAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F 32585345 FJEVRQUUIALIFC-UHFFFAOYSA-N 321.373 2.976 0 40 DFAB O=C(Cn1ccc(=O)c2ccccc21)Nc1c(F)cccc1F 72034210 CADKUWXWQMJSGT-UHFFFAOYSA-N 314.291 2.918 0 40 DFAB O=S(=O)(NCCSCc1ccco1)c1cccs1 33660951 ORQDLFAIWRVPNV-UHFFFAOYSA-N 303.430 2.553 0 40 DFAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 42646745 YHEVOZFIAMNGEO-UHFFFAOYSA-N 318.398 2.790 0 40 DFAB COC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC 225792328 AIAXKFGIBSZPBN-KRWDZBQOSA-N 323.389 2.872 0 40 DFAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(Br)cc1 75157764 XEJAPDTUCRRGSS-LBPRGKRZSA-N 314.223 2.976 0 40 DFAB O=C(NCc1cccc(CO)c1)[C@H]1C[C@@H]1c1cccc(F)c1F 96436368 UWMYFNVEPOANHB-CABCVRRESA-N 317.335 2.877 0 40 DFAB COC[C@H]1CCCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 95401466 KLBJOHLFUNLXSZ-CABCVRRESA-N 312.454 2.602 0 40 DFAB CCc1sc(CS(C)(=O)=O)nc1-c1ccc(OC)cc1 96417549 MXRAWFYTXZMEDP-UHFFFAOYSA-N 311.428 2.926 0 40 DFAB Cc1ccc(CN2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)s1 96056691 VVUJRYKMPKZHCH-NUEKZKHPSA-N 322.474 2.561 0 40 DFAB C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCO1 97374204 PRAJECVZKFUIER-TVQRCGJNSA-N 300.761 2.575 0 40 DFAB Cc1cc([C@H]2CCCN2CCOc2cccc(C(=O)O)c2)on1 580336348 JDFRLOWZMDFDQH-OAHLLOKOSA-N 316.357 2.897 0 40 DFAB CCS(=O)(=O)Nc1ccc(N2CCCCC2)c2ccncc12 97098377 PQMHQMPKRRFACI-UHFFFAOYSA-N 319.430 2.987 0 40 DFAB CCc1noc(C)c1C(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257321250 WAVKUYXEDRIYCT-MRRJBJDNSA-N 306.406 2.965 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2ccncn2)CC1 257282608 OUMJXWBCBYTSCZ-UHFFFAOYSA-N 322.821 2.780 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2cccs2)nc(C)n1 257254267 KCKPGMHNCNBARI-GFCCVEGCSA-N 302.403 2.866 0 40 DFAB NC(=S)[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252517036 ZBTKLKOSORYHKP-RRFJBIMHSA-N 317.435 2.529 0 40 DFAB O=C(O)CC[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)c1 263404381 HJXHZWWIQXRIKM-CQSZACIVSA-N 302.374 2.819 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C 283273700 RUCDCQKZODQIFC-ZDUSSCGKSA-N 323.437 2.523 0 40 DFAB CN(C)C(=O)N1CCC(c2nc(Cc3cccs3)no2)CC1 390833975 PSDMTOHJAYDZCB-UHFFFAOYSA-N 320.418 2.583 0 40 DFAB CCOC(=O)C(=O)c1c[nH]c2cc(Br)c(C)cc12 669369934 PZOPFFGZZZQKQZ-UHFFFAOYSA-N 310.147 2.985 0 40 DFAB CO[C@@]1(COc2ccccc2C)CCN(Cc2[nH]cnc2C)C1 585274713 MKIZHUHDHQNXOM-SFHVURJKSA-N 315.417 2.696 0 40 DFAB Cc1cnccc1CN1CC[C@@](O)(COc2ccccc2C)C1 585275902 GJZAGMAEKBENCY-IBGZPJMESA-N 312.413 2.714 0 40 DFAB Cc1nc2cc(F)cc(C(=O)NCC[C@H]3CCCO3)c2nc1C 44974114 FVMLUPBQNDXNBM-CYBMUJFWSA-N 317.364 2.685 0 40 DFAB C=CC(=O)NCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 91803878 FQINMZJNYUZJCK-CQSZACIVSA-N 314.429 2.650 0 40 DFAB COc1ccc([C@H](C)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 97034028 KELHDDJEHLWLSG-QGPMSJSTSA-N 316.445 2.789 0 40 DFAB C[C@]1(CO)CCCN(c2nnc(Cc3ccc(F)cc3)s2)C1 97109476 JRALVXSAQCSLFJ-INIZCTEOSA-N 321.421 2.867 0 40 DFAB OCCc1ccc(NC(=S)Nc2ccc(CCO)cc2)cc1 5580865 FRLWFXVBNFVJDC-UHFFFAOYSA-N 316.426 2.565 0 40 DFAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCCCC3)ccc21 12181082 ANYNMCFADBCVBJ-KRWDZBQOSA-N 302.418 2.505 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 12187160 JMINFJSLOZKTMM-QAPCUYQASA-N 312.457 2.955 0 40 DFAB CN1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 12253152 XZRUINSEYATIKZ-UHFFFAOYSA-N 310.357 2.748 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1 13112177 HOFGDVYLZBLLNP-BQYQJAHWSA-N 313.309 2.677 0 40 DFAB COc1ccccc1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 15653420 KPMNFTCEDFQOBZ-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB CC(C)(C)NC(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040120 GLPJBNVZMFGLSJ-LLVKDONJSA-N 323.824 2.791 0 40 DFAB CC[C@H](CNC(=O)c1ccccn1)N1CCc2ccccc2C1 29909016 CODDLJZKFDDCNM-QGZVFWFLSA-N 309.413 2.648 0 40 DFAB Cc1cc(OCC2CCN(C(=O)c3ccncc3)CC2)ccn1 1775995099 BQLSFSTTXURGTF-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB Cc1ccc(Cl)c(NC(=O)CN2CCO[C@H](C)C2)c1Cl 24014579 FQIDSDQTOVOJMB-SNVBAGLBSA-N 317.216 2.961 0 40 DFAB O=C(Cc1cccnc1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 245060709 PXILWIGLHRSTFH-WKILWMFISA-N 311.385 2.526 0 40 DFAB O=C(N1CC[C@]2(CCC[C@H](CN3CCCC3)O2)C1)C1(F)CCC1 1565542050 GPZBPEWWZANNFF-NVXWUHKLSA-N 324.440 2.515 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCOC(C)C 4163493 CKOPHPBIMAUYKM-UHFFFAOYSA-N 302.374 2.590 0 40 DFAB COc1cccc2sc(NC(=O)c3cc(C)n(C)n3)nc12 9001686 XRHCANSWGAIGCL-UHFFFAOYSA-N 302.359 2.599 0 40 DFAB O=C(COc1ccccc1)Nc1ccc(CC(=O)NC2CC2)cc1 13715789 YZCMUVZAXHWVQD-UHFFFAOYSA-N 324.380 2.525 0 40 DFAB CCc1ccccc1NC(=O)Cn1c(=O)c(C)nc2ccccc21 32951689 ILKIPIOPXKLYGU-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB O=C1C[C@@H](c2ccc3c(c2)OCO3)Nc2cc3c(cc21)OCO3 79190917 IOWVMOVOGIWLFY-NSHDSACASA-N 311.293 2.884 0 40 DFAB biogenic COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(C)ccc21 100876097 RRYSZOYMQQPBBE-ICFOKQHNSA-N 320.414 2.658 0 40 DFAB CC(C)N1C[C@@H](C(=O)N[C@H](C)Cc2cccc(Cl)c2)CC1=O 40108224 WOMDVRJCGCIDIQ-OCCSQVGLSA-N 322.836 2.644 0 40 DFAB COc1ccc(CCC(=O)NCCc2csc(C)n2)cc1 20436780 VQRMCGDVTQGJGK-UHFFFAOYSA-N 304.415 2.752 0 40 DFAB CCc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)sc1C 40505389 OSFLPVMUHVKABX-CYBMUJFWSA-N 318.446 2.767 0 40 DFAB Clc1ccc([C@H]2C[C@H](c3cccnc3)Nc3nnnn32)cc1 221821 BBENOCQMEFGXGW-ZIAGYGMSSA-N 312.764 2.868 0 40 DFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl 222656 QYCKJWWNWDUCKY-CYBMUJFWSA-N 318.764 2.784 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCO[C@@H]2CCCC[C@H]21 46483173 RHOXBFPXZCLCIJ-HUUCEWRRSA-N 313.357 2.520 0 40 DFAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1 6727741 CQZRYBVUBGCYMG-WKXXDYOBSA-N 321.348 2.658 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 22018792 MIIDNLSEHAPUCM-CHWSQXEVSA-N 311.316 2.738 0 40 DFAB COc1ccc([C@H](C)Nc2ncnc3c2cnn3C)cc1F 22018834 GRMAIBDQHUBKJN-VIFPVBQESA-N 301.325 2.684 0 40 DFAB CCOc1ccc(NC(=O)N[C@H](C(=O)OC)[C@H](C)CC)cc1 535071 HAAXRVXUCABASG-RISCZKNCSA-N 308.378 2.795 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)NCc2sccc2C)c(C)o1 76085965 JYRASBIVXDRLCF-INIZCTEOSA-N 322.430 2.973 0 40 DFAB O=C(O)CN[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 100177944 IBRYHHGTBXDBBQ-IYBDPMFKSA-N 302.418 2.636 0 40 DFAB Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 37462821 UNJICJRNMYFBJE-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB O=C(O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 41678271 SELWXVQTLWAOJS-ZCFIWIBFSA-N 318.114 2.788 0 40 DFAB biogenic,in-vitro CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2nnco2)c1 47487503 UQBSBJHCBJQFNW-LBPRGKRZSA-N 316.361 2.627 0 40 DFAB CCCc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1 9683274 FBAHRJGONKQWFE-UHFFFAOYSA-N 318.398 2.539 0 40 DFAB CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2cnn(C)c2C)CCO1 97048328 XPWLCCNEMCMPCF-HOTGVXAUSA-N 322.453 2.512 0 40 DFAB C/C(=C\C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 55067950 CTBJYBXFNKFLES-HCRIHEDKSA-N 307.415 2.624 0 40 DFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccs1 22765826 UFAVFOLTDNUYDK-ZDUSSCGKSA-N 322.455 2.613 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 25324565 JDGUYNCJTVGGRF-LLVKDONJSA-N 319.386 2.535 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 35176178 JXTROMXGRPPKTD-SNVBAGLBSA-N 313.756 2.894 0 40 DFAB COc1cc(CN2CCC(c3nncn3C(C)C)CC2)ccn1 97082875 VGUPTGAPGYMVQG-UHFFFAOYSA-N 315.421 2.642 0 40 DFAB O=C(N[C@H]1CCN(C2CC2)C1)C1(c2cccc(Cl)c2)CC1 58167085 PKQQPPIWOGXAKE-AWEZNQCLSA-N 304.821 2.725 0 40 DFAB Fc1cccc(-c2nc(COn3nnc4ccccc43)co2)c1 26777339 HMOPTWPRJKOMIR-UHFFFAOYSA-N 310.288 2.854 0 40 DFAB C[C@@H](Sc1nc2ncccn2n1)C(=O)c1ccc(F)cc1 10074095 UZCXEYWWMJXPDG-SECBINFHSA-N 302.334 2.627 0 40 DFAB CCOc1ccc2c(c1)CN(C(=O)Nc1cc(C)on1)CC2 58213453 YLVALQOPRNXDHI-UHFFFAOYSA-N 301.346 2.972 0 40 DFAB O=C(COC(=O)c1ccoc1)NCc1ccc(F)cc1Cl 57472197 BJJJPLNUHCCNOY-UHFFFAOYSA-N 311.696 2.545 0 40 DFAB Cc1ccc([C@@H](CNCc2cccn2C)N2CCOCC2)s1 72291868 UEWDWHPVFKAHTL-MRXNPFEDSA-N 319.474 2.558 0 40 DFAB COCc1ccccc1NC(=O)NCCc1c(C)nn(C)c1C 58552627 QZMRLNKGUGCXOG-UHFFFAOYSA-N 316.405 2.548 0 40 DFAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc[n+]1[O-] 48274622 IFSQBAHMEGXAGW-GFCCVEGCSA-N 320.801 2.940 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1cnc2c(cnn2C(C)C)c1 48311715 QQWMSEOBNFXTRU-ZDUSSCGKSA-N 316.405 2.511 0 40 DFAB Cc1ccc(COC(=O)c2cccc(S(C)(=O)=O)c2)cc1 3409483 UDVYRXHCXAIYPO-UHFFFAOYSA-N 304.367 2.756 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 13170248 IGNXFZBNERKZJB-JTQLQIEISA-N 301.264 2.642 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1 8774410 DMTBYROBKGSBRF-UHFFFAOYSA-N 303.337 2.768 0 40 DFAB COc1ccc(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 13224062 DJGDJFXMGCQUTI-INIZCTEOSA-N 313.353 2.570 0 40 DFAB COc1ccc(OC)c(-c2cc(C(=O)NCC(C)C)no2)c1 3908349 HUEJRQSLDUHCNL-UHFFFAOYSA-N 304.346 2.745 0 40 DFAB CC(C)(C)CNC1(Cc2cc(-c3cccc(O)c3)on2)COC1 67898331 XXRRAJURVISVHM-UHFFFAOYSA-N 316.401 2.994 0 40 DFAB biogenic,in-vitro CCN(CCC(=O)OC)C(=O)/C=C/c1cccc2cccnc12 65588403 AZUTXXASOCZAMM-MDZDMXLPSA-N 312.369 2.660 0 40 DFAB C[C@H](NC(=O)CCc1cnn(C)c1)c1nc(-c2ccccc2)c[nH]1 65512664 MNPXSZSTRNFZEI-ZDUSSCGKSA-N 323.400 2.620 0 40 DFAB O=C(CNc1cc(CO)ccc1Cl)NCc1ccccc1F 65624087 IWBZFCIZUMMJRS-UHFFFAOYSA-N 322.767 2.700 0 40 DFAB COc1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 5455014 SXVUWVUYEIBPHJ-UHFFFAOYSA-N 314.370 2.697 0 40 DFAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)CCc2ccco2)cc1 5575634 UIIASYYYEGJPET-ZDUSSCGKSA-N 323.414 2.930 0 40 DFAB O=C(Nc1cccc2nonc12)c1cncc(Br)c1 8991967 OXUGDZBYOAZATH-UHFFFAOYSA-N 319.118 2.633 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@@](CC(C)C)(c2ccccc2)S1 5727206 LEUXBQKZVVGWSP-MRXNPFEDSA-N 319.430 2.888 0 40 DFAB Cc1cc(C)n(CCNC(=O)c2ccc(Br)cc2)n1 28573878 PFVRZJRKQKHFJS-UHFFFAOYSA-N 322.206 2.692 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC3CCCCC3)C2)n1 4967733 GZOSAZLBGJAFTL-OAHLLOKOSA-N 316.449 2.759 0 40 DFAB Cc1cc(-n2cc(C(=O)N3CCC(C)CC3)nn2)ccc1F 67263100 DFHMDWMIVDVLOV-UHFFFAOYSA-N 302.353 2.587 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)on1 90001922 GZIJBJXLVRVSRF-UKRRQHHQSA-N 319.792 2.812 0 40 DFAB CCc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 7344532 XEACPFYCXAPQHQ-AWEZNQCLSA-N 312.369 2.829 0 40 DFAB CN(C)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccco1 15831433 QKOGQXABXYQHMY-AWEZNQCLSA-N 322.792 2.731 0 40 DFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 80984742 FNMPQOSDLFMZOC-OLZOCXBDSA-N 316.380 2.755 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC(C)(C)O1 68652538 HWZOJJAILCOWEG-LLVKDONJSA-N 316.357 2.824 0 40 DFAB O[C@@H](CN[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 69161138 PSGVZNLZNKLBRG-CABCVRRESA-N 313.353 2.562 0 40 DFAB C[C@@H](O)CN1CCC(CNCc2ccc(Cl)c(F)c2)CC1 69349875 JNOBZLHWFKZVKW-GFCCVEGCSA-N 314.832 2.662 0 40 DFAB NC(=O)c1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1 72293754 ZCSKVEWORUFGOS-UHFFFAOYSA-N 314.772 2.858 0 40 DFAB Cc1cc(NC(=O)N[C@@H]2CCSC2)n(Cc2ccccc2)n1 96433934 BGXSXDPIBVJCQF-CQSZACIVSA-N 316.430 2.867 0 40 DFAB CC[C@@H](C(=O)N1CCC(c2ccccc2)CC1)N1CCCC1=O 72296003 GMFBWXDVIWKYGY-KRWDZBQOSA-N 314.429 2.794 0 40 DFAB O=C(CC1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1 71811064 JGHQVVVQNKCMPQ-UHFFFAOYSA-N 324.428 2.859 0 40 DFAB CC[C@@H](C)NC(=O)c1cc(Br)c2c(c1)OCCO2 71849930 VIMKKYOMOYOWAM-MRVPVSSYSA-N 314.179 2.749 0 40 DFAB O=C(Nc1cc(F)ccc1F)c1ccc(-n2cccn2)nc1 19910422 ZIOSZQDWGDIOCL-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB C[C@@H](CCNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 71914974 GOTYRLRVISFKEZ-AAEUAGOBSA-N 318.339 2.793 0 40 DFAB Cc1nc2n(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 72312243 OBWDTSVQXHISMC-UHFFFAOYSA-N 317.702 2.674 0 40 DFAB c1ccc2c(c1)CCC[C@@H]2[C@@H]1CCCN1c1ccc2nnnn2n1 72313507 GTQHTJLNYYWXGR-HOTGVXAUSA-N 320.400 2.608 0 40 DFAB O=C(NC[C@H]1CCC[C@H]1O)Nc1ccnn1C1CCCCC1 78936868 SUKZQOWJFJAFCK-TZMCWYRMSA-N 306.410 2.671 0 40 DFAB CCC[C@](C)(NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)O 95389866 PMZRNRMGUNWFEC-KRWDZBQOSA-N 316.357 2.644 0 40 DFAB C[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)c2ccccc21 84700013 DDSOHORQSXXKKP-NSHDSACASA-N 306.362 2.923 0 40 DFAB CCC[C@@H](CCO)CNC(=O)c1c(C(C)C)nn(C)c1Cl 84740415 NIKIKBMINLQPQM-NSHDSACASA-N 315.845 2.725 0 40 DFAB O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CCc2ccncc2)C1 95433960 LLCJMEVKERMJSP-RHSMWYFYSA-N 304.340 2.710 0 40 DFAB COc1ncccc1C(=O)N[C@@H](C)CC(=O)c1cccs1 95435165 PTDWACVEFMKSOD-JTQLQIEISA-N 304.371 2.543 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1)n1cccn1 85482905 GYQKNSUVIDUXSZ-GOEBONIOSA-N 311.385 2.708 0 40 DFAB C[C@@H](NC(=O)N[C@]1(C)CCOC1)c1nc2cc(Cl)ccc2[nH]1 95975368 XGKHKGCDIKJILU-RFAUZJTJSA-N 322.796 2.756 0 40 DFAB COC(=O)[C@H]1CN(C(=O)c2cscc2C)c2ccccc21 176630042 VOEKGEGFQVMMSO-LBPRGKRZSA-N 301.367 2.974 0 40 DFAB C[C@@H](O)c1ccn(CC(=O)Nc2ccc(C(C)(C)C)cc2)n1 95941871 BTXHGMCQFQSKRP-GFCCVEGCSA-N 301.390 2.873 0 40 DFAB COc1cccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 89470022 FPAMROMRJMASDT-GOSISDBHSA-N 310.397 2.758 0 40 DFAB CC(C)(C)S(=O)(=O)c1ccc(NCCc2cccnc2)cn1 89694407 NBZKGOLHXAUTQM-UHFFFAOYSA-N 319.430 2.703 0 40 DFAB CCOc1ccc(CC(=O)Nc2ccccc2-n2ccnn2)cc1 89991113 KAQDVRDYGGQTIU-UHFFFAOYSA-N 322.368 2.847 0 40 DFAB CCOC(=O)c1c[nH]c2c(C)cc(Br)cc2c1=O 36075574 UZXMPANUBSTXKN-UHFFFAOYSA-N 310.147 2.776 0 40 DFAB COc1ccc(CNC(=O)NCc2ccc(OC)cc2)cc1 1700907 PPSSZWOYSHYRJP-UHFFFAOYSA-N 300.358 2.703 0 40 DFAB biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123398244 IGDPHSMKMOOQGM-BZBBQSOBSA-N 308.462 2.722 0 40 DFAB Brc1ccc2[nH]c(CSc3nnc[nH]3)nc2c1 185397601 CXVNHRYJOZFIRO-UHFFFAOYSA-N 310.180 2.736 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2c2nc(C)cc(C)n2)cs1 72369224 KVRYCFFBPYKOKW-CYBMUJFWSA-N 317.418 2.850 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350237 JKFJQZJSVJKVBH-QGWWYQLQSA-N 322.493 2.948 0 40 DFAB COC(=O)C1(Cc2ccccc2Br)CCOCC1 35316489 MZLTUQUJRHNYIV-UHFFFAOYSA-N 313.191 2.961 0 40 DFAB CC[C@@H](C)NC(=O)CCC(=O)Nc1ccc2oc(C)nc2c1 521396431 WYBIFMICSKQKHF-SNVBAGLBSA-N 303.362 2.770 0 40 DFAB COCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 79040147 OGXFEAVBGKQZDQ-UWVGGRQHSA-N 303.761 2.788 0 40 DFAB COc1ccc(F)c(C(=O)NCc2nc(C)c(C)s2)c1OC 188528422 YCLCZZORQLUAGZ-UHFFFAOYSA-N 324.377 2.846 0 40 DFAB Cc1cc(C)c(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c(C)c1N 228974229 LVWTXRCEGFLVPD-UHFFFAOYSA-N 324.336 2.693 0 40 DFAB COC[C@@H](O)CN(C)Cc1ccc(Br)cc1Cl 135021365 OMSFEEMOSYPMSC-NSHDSACASA-N 322.630 2.542 0 40 DFAB CC(C)c1ncc2c(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 527620672 XBUQLWAAQVZBPL-UHFFFAOYSA-N 313.376 2.867 0 40 DFAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cc(F)ccc1F 130216180 FIAPAHSWKUELNC-ZDUSSCGKSA-N 317.339 2.759 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H](C)CC 223139015 WVOXBWYSAVUXOO-STQMWFEESA-N 308.397 2.868 0 40 DFAB CC(=O)c1cc(NC(=O)N2CCC[C@]3(CCNC3)C2)ccc1F 571623867 OZLGHHIISHLLQS-QGZVFWFLSA-N 319.380 2.636 0 40 DFAB CCOc1cc(C(=O)Nc2cccc(Br)c2)ncn1 225531428 JSXJHLGSHIHDOL-UHFFFAOYSA-N 322.162 2.890 0 40 DFAB O=C(C[C@H]1CCCCO1)N1C[C@@H]2CCCN2Cc2ccccc21 195537574 FXJGTPXAUKQLKC-DLBZAZTESA-N 314.429 2.957 0 40 DFAB CN(CC(F)F)C(=O)Nc1ccccc1O[C@@H]1CCOC1 96471019 AGAJIBGNRAWKGK-SNVBAGLBSA-N 300.305 2.583 0 40 DFAB C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1nccn1C 95403507 OBMRKJFJXJLHEO-ZDUSSCGKSA-N 303.381 2.787 0 40 DFAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cnn(C)c2)CC1 95406273 XTSCXCVHAVQLBS-ZDUSSCGKSA-N 317.437 2.589 0 40 DFAB COc1nc(C)cc(C)c1CNCc1ccc([S@@](C)=O)cc1 96461182 DKARJAYROIUIPE-QFIPXVFZSA-N 318.442 2.734 0 40 DFAB C[C@H]1[C@@H](C)OCCN1C(=O)NCc1c(F)c(F)cc(F)c1F 96480369 MJQYENQCZUDYMB-JGVFFNPUSA-N 320.286 2.562 0 40 DFAB Cc1ncsc1CN1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187071 HYGCFXYSHICFMJ-YCPHGPKFSA-N 308.447 2.610 0 40 DFAB COCC(C)(C)NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 96503323 RZHCAHFYDOUGKY-NSHDSACASA-N 310.442 2.732 0 40 DFAB C[C@H](NC(=O)c1coc(NC(=O)C2CCC2)n1)c1ccccc1 90608018 CWVZXBBMQYURAN-NSHDSACASA-N 313.357 2.904 0 40 DFAB COC[C@]12COC[C@H]1CN(C(=O)c1cc3ccccc3s1)C2 96108654 QPPZVMALQLKOFK-CXAGYDPISA-N 317.410 2.636 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1csnn1 97233714 JWPPCHXCFYCIGP-LBPRGKRZSA-N 305.407 2.636 0 40 DFAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96228757 ICYHCMIZISCBKM-KRWDZBQOSA-N 322.474 2.711 0 40 DFAB CCN1C[C@@H](COC(=O)c2cccc(C(F)(F)F)c2)CC1=O 96416243 QJRGKSOUCKGWPG-JTQLQIEISA-N 315.291 2.731 0 40 DFAB CC(C)c1noc(Cc2ccc(NS(=O)(=O)C3CC3)cc2)n1 252487910 IECRRODIBVQDJG-UHFFFAOYSA-N 321.402 2.688 0 40 DFAB O=C(NC1CCOCC1)c1cncc(Cc2ccccc2F)c1 257221598 DPUMJAMGTUOLOL-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257253964 KBAPKWZMHUQCHR-CQSZACIVSA-N 312.417 2.909 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 257249948 JKJLEVSFFFSLMC-GFCCVEGCSA-N 300.362 2.526 0 40 DFAB Cc1nccc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 257203188 AOZLEOCGZAYSEF-LBPRGKRZSA-N 302.403 2.570 0 40 DFAB CC(C)(C)CC(=O)N1CCCC[C@H]1c1ncc(C(N)=O)s1 257208009 BKHBCHJRIICSMG-JTQLQIEISA-N 309.435 2.732 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)n1 257294493 QUKQFBNNEBMPPA-INIZCTEOSA-N 318.380 2.963 0 40 DFAB Nc1cccc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n1 257344080 ZVSGAXMSRWIMFE-SFHVURJKSA-N 323.396 2.513 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1 257309032 TZGMSZMFXCXGBA-ZDUSSCGKSA-N 314.389 2.835 0 40 DFAB COc1cncc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 281861094 MSXSVOAKQAXXFM-NSHDSACASA-N 324.377 2.611 0 40 DFAB COCCCNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 47860695 MRCPFBZFTLOMMN-UHFFFAOYSA-N 313.348 2.723 0 40 DFAB CCn1c(COc2ccccc2C(N)=O)nc2c(F)cccc21 69518620 JBORMIKEMWXKCT-UHFFFAOYSA-N 313.332 2.873 0 40 DFAB CCc1cccc(NC(=O)N2CCCN(C(=O)OC)CC2)c1 65589094 NKXXZSBLSLSCEN-UHFFFAOYSA-N 305.378 2.555 0 40 DFAB Cc1cnn(CCNCc2coc(-c3ccc(F)c(F)c3)n2)c1 75132974 ITBIBCWNVFFAPX-UHFFFAOYSA-N 318.327 2.915 0 40 DFAB CO[C@@]1(CNC(=O)c2ccccc2C(F)(F)F)CCSC1 96097606 GHLITTIBEAXRDA-CYBMUJFWSA-N 319.348 2.957 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)N[C@H]1CCCC[C@@H]1O 97033268 BWHKAHHXDQBYHE-ZFWWWQNUSA-N 314.389 2.606 0 40 DFAB CCOc1ccc(C(=O)C[C@@H](C(=O)O)N2CCCCC2)cc1 31474 JZAIFTBWIGRYMF-HNNXBMFYSA-N 305.374 2.597 0 40 DFAB CCOC(=O)N1C[C@@H](C)N(C(=S)Nc2ccccc2)C[C@@H]1C 5575094 WLJXOFCLTSLVDP-OLZOCXBDSA-N 321.446 2.935 0 40 DFAB COc1cc(NC(=O)OCc2cccnc2)cc(OC)c1OC 13208071 WTGDBSXSPDJBBN-UHFFFAOYSA-N 318.329 2.856 0 40 DFAB COC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 13608300 QGDNNYMHWDMLEA-UHFFFAOYSA-N 307.415 2.580 0 40 DFAB O=C(O)c1ccccc1NCCCNc1ccccc1C(=O)O 19772410 SEUAUIKOJYPMOS-UHFFFAOYSA-N 314.341 2.997 0 40 DFAB CCN(CC)C(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937661 XSLSWHGFPIJERV-UHFFFAOYSA-N 319.792 2.501 0 40 DFAB CC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)nc1C 12444591 XGEIJCRJFKMUGG-UHFFFAOYSA-N 303.387 2.972 0 40 DFAB FC(F)(F)c1ccnc(N[C@H]2CCN(C3CCOCC3)C2)c1 1889057266 DOTSQOAQOWWZPD-LBPRGKRZSA-N 315.339 2.766 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cnccn2)C1 1848352141 CKWKHPJJDANRSU-AWEZNQCLSA-N 320.396 2.907 0 40 DFAB COCc1cnc2n1CCN(C(=O)[C@]1(C)CC=CCC1)[C@@H]2C 1565555268 DSBQQSBEBVVMCC-CXAGYDPISA-N 303.406 2.679 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3cccc(Cl)c3)cnc2s1 4517260 NCZRDXWSAMBQLY-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(C)c1 31098283 BAIVLHDXIAEDTO-HNNXBMFYSA-N 300.358 2.859 0 40 DFAB CN1CCN(c2ccccc2NC(=O)c2cc(Cl)c[nH]2)CC1 40466617 NGAXQSQFHGEOKD-UHFFFAOYSA-N 318.808 2.672 0 40 DFAB COc1cccc(CN(C)C(=O)c2scnc2C)c1OC 40529567 WMWJLIZPKXMJIM-UHFFFAOYSA-N 306.387 2.741 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)c1 69445309 ATJHYHZCKARHMH-ZACQAIPSSA-N 310.401 2.554 0 40 DFAB CCc1ccc(-c2csc3ncn(CC(=O)O)c(=O)c23)cc1 131628 QMMJWOMMBWQBAN-UHFFFAOYSA-N 314.366 2.772 0 40 DFAB CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 411065 PPSUCKPJONMOHR-UHFFFAOYSA-N 316.430 2.986 0 40 DFAB CNC(=O)c1ccc(OCCOc2ccc(OC)cc2)cc1 32783931 WHARMRGJBPNFCW-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB C[C@@H](OC(=O)CCCSc1ccc(Cl)cc1)C(N)=O 2659450 LQHQNRLNKBGADS-SECBINFHSA-N 301.795 2.629 0 40 DFAB CC(C)c1nc2ccccc2c(=O)n1CC(=O)NC1CCCC1 1371529 LQVGQSNKYUVLGV-UHFFFAOYSA-N 313.401 2.579 0 40 DFAB CCOC(=O)c1ccc(N(C(C)=O)C(C)=O)c(CSC)c1 1869918 XCKYLPJGBNDKMQ-UHFFFAOYSA-N 309.387 2.626 0 40 DFAB COCc1nnc(NC(=O)CCCOc2ccccc2C)s1 1903827 GLUXPSPHEYYODQ-UHFFFAOYSA-N 321.402 2.791 0 40 DFAB COc1ccc(C(=O)CSc2nnc(C(C)C)n2C)cc1 410463 PLLODHPIIVSWBT-UHFFFAOYSA-N 305.403 2.922 0 40 DFAB CCNC(=O)[C@@H](C)OC(=O)c1c(C)nc2ccccc2c1C 7711204 KYOLXOJDZJCJPP-GFCCVEGCSA-N 300.358 2.533 0 40 DFAB Cc1nn([C@@H](C)C(=O)NC2CCCC2)cc1Br 2779274 YYQMZIXEOVLJPQ-VIFPVBQESA-N 300.200 2.574 0 40 DFAB COc1cccc(CNn2c(-c3ccncc3)n[nH]c2=S)c1 8494697 WAKLYTODTWIUEO-UHFFFAOYSA-N 313.386 2.755 0 40 DFAB Cn1c(=O)c2[nH]c(SC3CCCCC3)nc2n(C)c1=S 8626619 FNSPVSWZNXLSCT-UHFFFAOYSA-N 310.448 2.754 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(Cl)cn1C 22003057 DOVVWBSVOVENGX-PWSUYJOCSA-N 312.797 2.530 0 40 DFAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccn1 529607 AUVAYNIAJJUPNJ-UHFFFAOYSA-N 317.805 3.000 0 40 DFAB COc1cc(CNCc2cc3c(cc2OC)C[C@H](C)O3)ccn1 42208308 CKDXPPJHAYUOLC-LBPRGKRZSA-N 314.385 2.712 0 40 DFAB O=C(CCc1cccs1)NCc1cccnc1-n1cccn1 24794023 SBMLYIYMVHPCQF-UHFFFAOYSA-N 312.398 2.578 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CCO[C@H](c2ccccc2)C1 24793888 GUKZTTMRSJHTLS-SFHVURJKSA-N 319.364 2.844 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3cscn3)CC2)sc1C 55435357 JFMADYJIHRVYSZ-UHFFFAOYSA-N 321.471 2.779 0 40 DFAB CN(Cc1ccccc1)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 25286610 JUAZOKXXHLLZDW-LJQANCHMSA-N 323.396 2.543 0 40 DFAB Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(CC(=O)O)cs1 97035264 SCDQKMJZAGIOOV-VHSXEESVSA-N 322.411 2.882 0 40 DFAB Cc1ccccc1C(=O)N[C@H](C(=O)O)c1ccc(F)c(F)c1 97036658 KFMSDGICZSOFHF-AWEZNQCLSA-N 305.280 2.829 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cccc(OCc2cscn2)c1 27396020 XUFOSNQCNIVJBD-OAHLLOKOSA-N 318.398 2.631 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCCc1cccc(Cl)c1 44892745 GHPHUFGVKOLRSH-UHFFFAOYSA-N 305.809 2.592 0 40 DFAB Cc1cccc2c1N[C@H](c1ccc(-n3cncn3)c(F)c1)NC2=O 58232578 MSTKFXPHIZKPOY-INIZCTEOSA-N 323.331 2.569 0 40 DFAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1cnn(C)c1 27919807 FBNOEAOZMBWMAW-SNVBAGLBSA-N 322.206 2.603 0 40 DFAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccon1 28227336 IOEHUAUUYLMILR-QMMMGPOBSA-N 311.135 2.843 0 40 DFAB Cc1ccc(NC(=O)OCN2C(=O)c3ccccc3C2=O)cc1 3367923 IQVCPEDCPBHGRQ-UHFFFAOYSA-N 310.309 2.797 0 40 DFAB Cc1occc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 29249087 LMXKWEKHMQRJOW-AWEZNQCLSA-N 314.389 2.883 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccco1 48333676 PVOVOCGSDZRLGF-UHFFFAOYSA-N 301.346 2.612 0 40 DFAB CC(C)Cc1ccc([C@H](C)NC(=O)CN2CSCC2=O)cc1 12806290 GMDMNRHIRIRBMF-ZDUSSCGKSA-N 320.458 2.595 0 40 DFAB Cn1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 62001419 CLPIXQVVDLSDSG-UHFFFAOYSA-N 318.376 2.737 0 40 DFAB biogenic O=C(Cc1ccsc1)Nc1ccccc1N1CCOCC1 13141402 KXBRYXKKTCNRQA-UHFFFAOYSA-N 302.399 2.766 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@H](O)c2cc(F)ccc2F)cn1 69661336 QRGNDNZCRVWUEW-CVEARBPZSA-N 307.344 2.569 0 40 DFAB CCC[C@@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1 69670039 HWLPXRNXCFOALZ-DOMZBBRYSA-N 307.390 2.852 0 40 DFAB O=C(COc1ccccc1)NC[C@@H](c1ccco1)N1CCCC1 8518073 SFOYVUKPQVQAFJ-INIZCTEOSA-N 314.385 2.612 0 40 DFAB CN(C)c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 8710531 MLVYNYABGOTBFJ-GOSISDBHSA-N 311.429 2.785 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CCO1 65398783 ODQAAAOIOFAJSD-AWEZNQCLSA-N 317.393 2.655 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)NCCn3cccn3)s2)o1 65401516 KGFDTFWACUUSOT-UHFFFAOYSA-N 316.386 2.646 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1noc(-c2ccccc2)n1 21800312 WGCCXXKHYYYSNL-UHFFFAOYSA-N 313.288 2.893 0 40 DFAB O=C1CCc2cc(C(=O)OCC(=O)c3cccs3)ccc2N1 14094860 ONMRIYRXSRXMSF-UHFFFAOYSA-N 315.350 2.673 0 40 DFAB CC(C)c1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1 14181847 BNMOWKZWTBJODU-UHFFFAOYSA-N 310.401 2.709 0 40 DFAB CCOCc1nnc(NC(=O)c2ccc(OCC)cc2)s1 4510354 UWZWNIWIBHGHTA-UHFFFAOYSA-N 307.375 2.726 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 6604261 LSMKFFUQHWWLLF-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)CCC2 15416871 KHDXWHAVOJXESV-CQSZACIVSA-N 309.413 2.992 0 40 DFAB CCOC(=O)c1sc(-c2ccc3c(c2)OCCO3)cc1N 7784495 OMULNYAOVLDECM-UHFFFAOYSA-N 305.355 2.945 0 40 DFAB COc1ccc(OCCNC(=O)c2ccc(OC)c(F)c2)cc1 7816142 QGJLOZVLQSGXKG-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(N)=O)c1 9157402 BZIRKZGVJUBIOL-UHFFFAOYSA-N 307.353 2.687 0 40 DFAB CCOc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 9117781 IZEAXSSXGQPBEU-NSHDSACASA-N 307.394 2.510 0 40 DFAB CC(=O)NCC1CCN(C(=O)/C=C(\C)c2ccc(F)cc2)CC1 96400770 PWFSAGRAEBLUCY-ACCUITESSA-N 318.392 2.604 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2ccncc2)c1 71865923 VYLKSEBHRYXWNT-QGZVFWFLSA-N 312.417 2.600 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCN3CCCC[C@@H]3C2)n1 71839719 XPYYQRHHGDEOSC-GFCCVEGCSA-N 322.840 2.564 0 40 DFAB CCc1cnc(CN(C)C(=O)NCc2nc(C)cs2)s1 83827879 GRXKRVAUUAJVOV-UHFFFAOYSA-N 310.448 2.812 0 40 DFAB C[C@@H](NC(=O)NC1CCCCCC1)C(=O)N1CCCC[C@H]1C 72083011 RYLRYSCKUAAQKZ-ZIAGYGMSSA-N 309.454 2.798 0 40 DFAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(C)CCC2)cc1 97237140 SQQQQBKFCVRTIE-UHFFFAOYSA-N 323.458 2.718 0 40 DFAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(C2CC2)CC1 84383445 WYMHYGDXAWWPHE-UHFFFAOYSA-N 303.793 2.742 0 40 DFAB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)c(C)o1 79093366 CWHYMAWTMABVKN-BXUZGUMPSA-N 324.446 2.572 0 40 DFAB Cn1ccnc(Nc2ccc(Oc3ccc(CO)cc3)cc2)c1=O 95403225 UBBXWSVNRNNDIN-UHFFFAOYSA-N 323.352 2.809 0 40 DFAB CC(=O)N1CCN(C(=O)c2cc3cccc(C)c3o2)C(C)(C)C1 95460259 SUMNVDIMFWIUSI-UHFFFAOYSA-N 314.385 2.824 0 40 DFAB COC(=O)[C@@]1(F)CCN([C@@H](C)Cc2nc3ccccc3s2)C1 79327767 RYPFOSUGWIYPOI-MEDUHNTESA-N 322.405 2.814 0 40 DFAB O=C(CNc1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 79726046 MIHQOVWURRKPCA-QGZVFWFLSA-N 314.360 2.838 0 40 DFAB CSC[C@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 95991048 QJMBMTNWGRXBGB-QMMMGPOBSA-N 306.353 2.997 0 40 DFAB CO[C@@H]1CCCN(C(=O)[C@@H](C)n2ccnc2-c2ccccc2)C1 95981262 SNAGDJXVBAZBKU-GDBMZVCRSA-N 313.401 2.749 0 40 DFAB CC[C@@H]1CCc2ccccc2N1C(=O)CCCS(C)(=O)=O 75093907 DNTNYJGJICXFID-CQSZACIVSA-N 309.431 2.569 0 40 DFAB Cn1c(=O)oc2c(NC(=O)Cc3ccccc3Cl)cccc21 89749532 GKGBRRSGIJCLIX-UHFFFAOYSA-N 316.744 2.966 0 40 DFAB Cc1csc(CN2CCN(C(=O)c3ccccc3F)CC2)n1 21686987 OAFKECPVHULBNK-UHFFFAOYSA-N 319.405 2.549 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(F)c1 30984944 GYRCKJIQFOTHHH-CYBMUJFWSA-N 302.305 2.787 0 40 DFAB O=C(CCCn1cccc1)NC[C@@H]1CCCN2CCCC[C@H]12 524731188 MXAQKPANHBHNQH-DLBZAZTESA-N 303.450 2.649 0 40 DFAB biogenic Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Br)[nH]n1 79028351 NNGCFFCNEXLCKA-VIFPVBQESA-N 324.178 2.887 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1C 120367607 WHUWOVDWJXVKOJ-NSHDSACASA-N 314.389 2.982 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)SCc2nc(C(C)(C)C)no2)on1 78555748 AAYXSKMCNUFTFN-SECBINFHSA-N 324.406 2.924 0 40 DFAB O=C(CCCc1nnc2ccccn12)NC1CCCCCC1 72405521 QZNRVWOZYXJOCQ-UHFFFAOYSA-N 300.406 2.891 0 40 DFAB C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@@H]1CCC(C)(C)O1 187346959 JBHKORSXPQUKHL-QIIPPGSGSA-N 305.418 2.615 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccccc2CO)C1 228908844 IVGMPIOAWPXSCE-AWEZNQCLSA-N 320.433 2.920 0 40 DFAB CCn1ccc2ccc(NC(=O)NC[C@@H](C)C(=O)OC)cc21 86298051 NINPXEQATKQQCQ-LLVKDONJSA-N 303.362 2.592 0 40 DFAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223044728 RKNVKOADBBCJJY-LJQANCHMSA-N 324.424 2.783 0 40 DFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N(C)Cc1ccccc1 225746037 WWENRRPFAFKFHH-UHFFFAOYSA-N 320.392 2.969 0 40 DFAB Cc1cc(C)cc(NC(=O)NCc2cc(C)nc(N(C)C)n2)c1 191426966 LNEALPCHHXPHOO-UHFFFAOYSA-N 313.405 2.790 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C 195577955 ZFJODCGLPKJSEQ-ZBFHGGJFSA-N 305.418 2.865 0 40 DFAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 40457311 USWNPQPIDCRLDB-UHFFFAOYSA-N 310.806 2.743 0 40 DFAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C 225573472 ZLAJKQUWSPYBBE-LBPRGKRZSA-N 310.825 2.992 0 40 DFAB CO[C@@H]1CC[C@H]2OCCN(C(=O)N(C)c3ccc(F)cc3)[C@@H]2C1 190804512 MBLFIJBSMKEQFA-BZUAXINKSA-N 322.380 2.650 0 40 DFAB Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2C)n(C)n1 96502155 TUOUFJBQFMRWPG-UHFFFAOYSA-N 310.357 2.580 0 40 DFAB COC(=O)c1ccc(NCc2nnsc2Cl)c(F)c1 97231439 PLKDLHKLWKTCJU-UHFFFAOYSA-N 301.730 2.729 0 40 DFAB CC(C)[C@H](O)CNC(=O)Nc1cc(F)cc(N2CCCC2)c1 96420164 ZBSPWCDPJAUCSI-OAHLLOKOSA-N 309.385 2.564 0 40 DFAB COC(=O)N1CC[C@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 97237111 SIFHGWWFSBQOAB-NSHDSACASA-N 310.781 2.527 0 40 DFAB CC(C)CCN1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccccc2)C1 96253404 FZHARNNILCDPKC-IXDOHACOSA-N 302.418 2.761 0 40 DFAB CS[C@@H]1CC[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C1 96487640 RNDPLEYZLDLAIY-VHSXEESVSA-N 321.414 2.668 0 40 DFAB CCc1cc(CNC(=O)NCCSc2ccc(F)cc2)on1 96421568 UOZGBOFDAABNBC-UHFFFAOYSA-N 323.393 2.968 0 40 DFAB COCCn1c(C(=O)NC(C)C)cc2c1c1ccccc1n2C 96146232 DDFFHSXZKHYIKG-UHFFFAOYSA-N 313.401 2.918 0 40 DFAB CCO[C@@H]1C[C@H](NCC2(OC)CCOCC2)C12CCCCC2 97230999 GEPIUSQWBWEIKJ-JKSUJKDBSA-N 311.466 2.900 0 40 DFAB Cc1cc(N2CCC[C@H]2c2cc(-c3ncc[nH]3)nc(C)n2)ncn1 257207121 BGLJJWRSYFHXFZ-HNNXBMFYSA-N 321.388 2.615 0 40 DFAB CC(C)(C)OC(=O)NC12CC(I)(C1)C2 575441160 MPNNXORJGCGRFJ-UHFFFAOYSA-N 309.147 2.621 0 40 DFAB CO[C@H]1CN(C(=O)Cc2ccccn2)CC[C@@H]1Cc1ccccc1 585278257 AMHMPYQNFOSIKG-MJGOQNOKSA-N 324.424 2.730 0 40 DFAB CC(C)c1cc(C(=O)Nc2c[nH]ccc2=O)nn1C(C)(C)C 52966511 MQBUWUYZIIONGQ-UHFFFAOYSA-N 302.378 2.702 0 40 DFAB COCc1nc(C(=O)NCC2(c3ccccc3)CC2)cs1 71830944 URMMGBSNKIPWQE-UHFFFAOYSA-N 302.399 2.751 0 40 DFAB COC(=O)c1ccc(Cn2cc(Br)cn2)s1 96462818 RAVDIVZKAUIPTL-UHFFFAOYSA-N 301.165 2.542 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCC(O)(c2ccccn2)CC1 12117454 WBMHYHBRHHDYRR-ARFHVFGLSA-N 314.429 2.718 0 40 DFAB O=C(O)/C=C\C(=O)Nc1ccc2c(c1)C(=O)c1cc(F)ccc1-2 12671862 RDYCKZHXTUXBGI-WAYWQWQTSA-N 311.268 2.616 0 40 DFAB in-vitro O=C(O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCOCC1 12156869 FZCIFCPJLIEQNG-NSHDSACASA-N 307.321 2.590 0 40 DFAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCN2CCCCC2)c1 13710894 WXIBPJKFFCKPJL-MRXNPFEDSA-N 304.434 2.673 0 40 DFAB Cc1cc2nc(CN(C)c3ccc(Cl)cc3)cc(=O)n2o1 15731938 VBPZONYFXUUMKH-UHFFFAOYSA-N 303.749 2.886 0 40 DFAB O=C(NCc1ccco1)N1CCN(c2ccccc2Cl)CC1 17115103 CDIMXLUQGPAFGK-UHFFFAOYSA-N 319.792 2.965 0 40 DFAB CC(C)(C)C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 19082163 RUGXKHZQSCWJKY-UHFFFAOYSA-N 312.417 2.985 0 40 DFAB CCc1cnccc1C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 163140986 KJRFNXKZYYYBKR-HNNXBMFYSA-N 324.428 2.558 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)C1 108131521 XBDMTLHOZGGCSG-YNEHKIRRSA-N 302.484 2.613 0 40 DFAB Cc1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 618016709 AMKQTEZEFJGOSX-UHFFFAOYSA-N 311.381 2.725 0 40 DFAB CN(CCN1CCCCC1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12206176 WXRYZYUUUJFNNR-INIZCTEOSA-N 322.836 2.588 0 40 DFAB CC(C)C[C@H](C)OC(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C 583651953 VYIUXHFAXLOUBE-KKUMJFAQSA-N 312.454 2.647 0 40 DFAB OC[C@@H]1CCCN(c2ncc3cc(Br)ccc3n2)C1 1889099099 OZDRBIQBOMOOFY-SNVBAGLBSA-N 322.206 2.601 0 40 DFAB COc1ncccc1CNC(=O)CCc1ccccc1Cl 31321563 YGRFFVDUGUYZOF-UHFFFAOYSA-N 304.777 2.993 0 40 DFAB CC(C)(C)CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5314713 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COC(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 382390 YKEJCOKBYDQKRT-UHFFFAOYSA-N 314.385 2.686 0 40 DFAB COc1cc(SC)ccc1C(=O)N(C)C1CCN(C)CC1 2625147 XOEOLOPBWSMXKR-UHFFFAOYSA-N 308.447 2.583 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc2ccc(Br)cc2[nH]1 32755208 GIXXYCRFIWQLJD-LLVKDONJSA-N 323.190 2.839 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCC(C)(C)c1ccc(F)cc1 69513508 OHRPUTFZHSOBFY-BBRMVZONSA-N 323.408 2.804 0 40 DFAB CO[C@@H](C(=O)Nc1cc(-c2ccncc2)n[nH]1)c1ccccc1 69536695 WKVPPDHPPINLOU-MRXNPFEDSA-N 308.341 2.798 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)s2)c1 69572717 XYPWZJQNIRZHBJ-UHFFFAOYSA-N 310.400 2.816 0 40 DFAB NC(=O)[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 32771660 AJDPNFCDJUNWLT-MRXNPFEDSA-N 309.369 2.674 0 40 DFAB Cc1nc(C(=O)N2CCC[C@@H](C)c3ccccc32)c(=O)[nH]c1C 97111618 DNZBLXKHWNFSEI-LLVKDONJSA-N 311.385 2.931 0 40 DFAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Cl)ccn1 22582115 IGLQTLIEDYEYHT-UHFFFAOYSA-N 315.760 2.880 0 40 DFAB c1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)nc1 22516511 VBOHQDNFKTZUFA-UHFFFAOYSA-N 318.424 2.948 0 40 DFAB COC(=O)[C@@H](OC(=O)c1cccnc1Cl)c1ccccc1 23222278 ZCZDOWRPDOPABG-LBPRGKRZSA-N 305.717 2.806 0 40 DFAB O=C(Nc1nccs1)N1CCN(Cc2ccsc2)CC1 42652241 INEZOLNAEUSLPN-UHFFFAOYSA-N 308.432 2.554 0 40 DFAB COc1ccnc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 12529503 PTQIJCFVLTXKHI-UHFFFAOYSA-N 309.373 2.746 0 40 DFAB c1ccc(-n2ccc(CN3CCC[C@H]3Cn3cccn3)n2)cc1 69769157 UDSIZZPHKVSARF-SFHVURJKSA-N 307.401 2.733 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cnsn2)c(OC)c1 47817229 VMVUNZNKTIKJMI-ZDUSSCGKSA-N 319.386 2.533 0 40 DFAB CC(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3271127 UCCAUJARNYPJIE-UHFFFAOYSA-N 301.342 2.876 0 40 DFAB COc1ccc(CNC[C@H]2CCN(C3CC3)C2)c(Cl)c1OC 106366987 NTAYWEYXRUGVHP-GFCCVEGCSA-N 324.852 2.931 0 40 DFAB COC(=O)CCN(C(=O)c1cncc(F)c1)c1cccc(F)c1 97014628 RUSJETDZOAGVLX-UHFFFAOYSA-N 320.295 2.570 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cn1 24983366 BJHDFHPASYLFAR-LLVKDONJSA-N 303.337 2.977 0 40 DFAB COc1ccccc1Oc1ccc(N[C@@H](C)C(N)=O)cc1F 97085760 ZLQABJUKOZHCLC-JTQLQIEISA-N 304.321 2.912 0 40 DFAB C[C@H](C(=O)O)[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 97035760 JWAIMOKKQGOROW-JOYOIKCWSA-N 303.280 2.907 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(OC[C@@H]2CCCO2)cc1 56185169 QYWHZSMFHAWJMK-ZQIUZPCESA-N 320.433 2.960 0 40 DFAB CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57286799 IRDOUSKKLZRXNR-UHFFFAOYSA-N 309.413 2.967 0 40 DFAB COC(=O)[C@@H](N)CSc1cc(C)nc2ccc(Cl)cc12 57312162 VNSNOGUMHXMVER-NSHDSACASA-N 310.806 2.789 0 40 DFAB CC(C)(C)c1cnc(CNC[C@H]2CCCN2c2cccnn2)o1 72276761 GLCODCLMEKGLSD-CYBMUJFWSA-N 315.421 2.521 0 40 DFAB Cc1cc(CS(=O)(=O)Cc2c(F)cccc2Cl)no1 44938128 PGPZLLONQKDWJK-UHFFFAOYSA-N 303.742 2.891 0 40 DFAB O=C(Nc1ccc(Br)cn1)[C@H]1Cc2ccccc2O1 58341768 NBDBWNHWRKOLGV-GFCCVEGCSA-N 319.158 2.786 0 40 DFAB CCOC(=O)CCNC(=O)c1ccc(Oc2cccnc2)cc1 58356165 YFROMNRRIMHMRL-UHFFFAOYSA-N 314.341 2.557 0 40 DFAB Cc1nc(C(=O)Nc2cnn(C)c2)nn1-c1ccccc1C(C)C 58322849 LZXVETQGPKVOPD-UHFFFAOYSA-N 324.388 2.685 0 40 DFAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 45243532 MUUSOLBIENUXOJ-YPMHNXCESA-N 308.809 2.728 0 40 DFAB CC[C@@H](Nc1ccc(OC)c(OC)c1)C(=O)Nc1cc(C)on1 28621832 ZDQRUNPZPPPNJO-GFCCVEGCSA-N 319.361 2.829 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 48393665 VDNITEYEBQJTDZ-VXGBXAGGSA-N 305.378 2.676 0 40 DFAB CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 12996337 CQZQOYFMMIZAIS-UHFFFAOYSA-N 310.419 2.518 0 40 DFAB CCc1c(C(=O)CSc2cccc[n+]2[O-])[nH]c(C)c1C(C)=O 63429206 XEUVIRHFXNPNRQ-UHFFFAOYSA-N 318.398 2.697 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nccn2C)c1C 8725352 FVMBLCTWKQIBNO-LLVKDONJSA-N 305.403 2.931 0 40 DFAB CC[C@H](OC(=O)c1ccc(C)s1)C(=O)Nc1cc(C)on1 14076144 LRQLPZVHYQJKCR-JTQLQIEISA-N 308.359 2.927 0 40 DFAB COc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 20484561 DEFSTFPJIIBVQD-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB COc1ccc(O)c(C(=O)c2cnn3c(c2)nc2ccccc23)c1 6589999 HCJLPXNSLIBTQH-UHFFFAOYSA-N 319.320 2.828 0 40 DFAB C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccccc1 4681124 YBYRGGHNPISJGA-CYBMUJFWSA-N 300.358 2.951 0 40 DFAB Cc1ccc(-c2cc(CN3CCNC(=O)[C@H]3C(C)C)on2)cc1 66500486 QYJDFIRTNGSQEF-QGZVFWFLSA-N 313.401 2.606 0 40 DFAB CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCC2 66947246 DDEBTYOTKKDQJI-SFHVURJKSA-N 300.446 2.661 0 40 DFAB C[C@H]1CN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 16332835 KVFJQGUOLLWFDD-NNCYTPHGSA-N 320.477 2.569 0 40 DFAB Cc1nn(Cc2nc([C@@H]3CCCCCN3)no2)c(C)c1Cl 96001566 OOJGJXMBYICTAU-NSHDSACASA-N 309.801 2.789 0 40 DFAB COc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)c(O)c1 16621251 BTGJPPMJRJKSOL-UHFFFAOYSA-N 324.336 2.944 0 40 DFAB CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 69488209 VMBVEQRNFUBJTM-CQSZACIVSA-N 303.406 2.629 0 40 DFAB CC(=O)NCCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 69453777 GSKJCADPBKMEAV-SECBINFHSA-N 317.216 2.567 0 40 DFAB CC(C)CNC(=O)c1cc(Br)c2c(c1)OCCO2 71849933 QNDCNBOIPZOQTR-UHFFFAOYSA-N 314.179 2.606 0 40 DFAB Cc1nc2n(n1)[C@@H](c1cccc3ccccc13)C=C(C(=O)O)N2 19962531 NGMYRFAMXYBALC-OAHLLOKOSA-N 306.325 2.723 0 40 DFAB C[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)O1 71915540 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CCCc1nc(C)cc(N(C)Cc2nc(-c3cccnc3)no2)n1 65526657 DODGXJRFGYTBEE-UHFFFAOYSA-N 324.388 2.819 0 40 DFAB C[C@@]1(O)CCN(C(=O)N[C@H](c2ccccc2)c2ccco2)C1 188249122 CLAPPIHSQIYMJS-NVXWUHKLSA-N 300.358 2.535 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)Nc1nnc(C2CC2)s1 43359240 KUCYHRBDRNYSHI-UHFFFAOYSA-N 307.379 2.684 0 40 DFAB Cc1cc([C@@H](C)O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222611 AXESCURMAAKFLZ-CYBMUJFWSA-N 321.421 2.500 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C)n(C3CC3)c1C)C2 72279151 QWGJSDLAQNQCDP-CQSZACIVSA-N 312.417 2.690 0 40 DFAB COc1ccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 79033288 FTNBYFFAMAJVML-UHFFFAOYSA-N 307.390 2.914 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1F 32586142 BRROAURGHMLSNR-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1OCC 225782246 GQAUTGGWSLZPSR-UHFFFAOYSA-N 305.252 2.763 0 40 DFAB CC(C)c1nc(S(=O)(=O)N[C@@H](c2ccccn2)C(C)C)c[nH]1 80759143 HYXLWKARDQOTGK-CQSZACIVSA-N 322.434 2.604 0 40 DFAB COc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1 228921987 JRLYQTXWMMNBDE-UHFFFAOYSA-N 324.388 2.503 0 40 DFAB Cc1[nH]c(C[C@@H]2C(=O)N=C3C=CC=C[C@@H]32)c(C)c1CCC(=O)O 85210373 BGIWWYDBDXMCES-KGLIPLIRSA-N 312.369 2.531 0 40 DFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NC1CCCCC1 225748267 GTMGRUZAKCREKX-UHFFFAOYSA-N 302.349 2.590 0 40 DFAB CC(C)Oc1cccc(NC(=S)NC2CCN(C)CC2)c1 225800370 MAUZEDIRPGOLPX-UHFFFAOYSA-N 307.463 2.854 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CCCC2)CC1 47544560 VRFUAUOOLOCIRH-UHFFFAOYSA-N 311.426 2.628 0 40 DFAB C[C@H](N)[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 195542946 RGPVCBHCJASQMU-WCQYABFASA-N 314.351 2.834 0 40 DFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 83572832 CBKCEJDSHOYQQO-KFWWJZLASA-N 319.453 2.630 0 40 DFAB Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)Cn3ccnc3)cc12 96408380 SZTOUJAIQRLHSG-LLVKDONJSA-N 300.337 2.630 0 40 DFAB c1ccc(-c2ncnc3c2CCN(CC2CCOCC2)CC3)cc1 96255373 MVDHAJHCWRPNFT-UHFFFAOYSA-N 323.440 2.971 0 40 DFAB Cc1ccc(Cl)cc1OC(=O)C1CCN(C(=O)N(C)C)CC1 96442844 FKMSKTBSWFROLE-UHFFFAOYSA-N 324.808 2.947 0 40 DFAB CCC(C)(C)c1ccc(S(=O)(=O)N(C)C2(CO)CC2)cc1 331897595 BLBNPULZCNATPB-UHFFFAOYSA-N 311.447 2.520 0 40 DFAB c1cncc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 96218958 BJJMMGAIUOGYAJ-DOTOQJQBSA-N 315.442 2.989 0 40 DFAB Cc1noc(-c2ccccc2C(=O)O[C@H](C)[C@H]2CCOC2)n1 97235860 AYRYWXAUFBFOQI-PWSUYJOCSA-N 302.330 2.627 0 40 DFAB Cc1nc(CCCNc2cc(C)c(Br)cn2)n[nH]1 97229953 MNBLIKJMHGNYET-UHFFFAOYSA-N 310.199 2.624 0 40 DFAB CN(Cc1ccc(OCCCO)cc1)C[C@H](O)c1ccccc1 257281469 OPIPNCDEFQOGEU-IBGZPJMESA-N 315.413 2.613 0 40 DFAB Cn1ccc2cc(C[C@@H]3COCCN(c4ncccn4)C3)ccc21 257337115 YRLFQYBVENMRSU-INIZCTEOSA-N 322.412 2.664 0 40 DFAB c1cc(C[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)[nH]n1 257254749 KEMWNVQIMCPBPU-AWEZNQCLSA-N 313.401 2.636 0 40 DFAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)c2sccc2C)C1 257297515 RHOUYJPWGDGGGG-HUUCEWRRSA-N 320.458 2.920 0 40 DFAB O=C(O)CCC[Sn](Cl)(Cl)Cl 604939944 CAICOVBPNHPMKN-UHFFFAOYSA-K 312.168 2.507 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](c2ccccn2)C1 85472959 LVJCGSVOBVLMMN-ISBHARSQSA-N 314.410 2.872 0 40 DFAB CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)CCC(=O)O)c1 262132587 ODQLLTLZAJHDQC-UHFFFAOYSA-N 319.810 2.559 0 40 DFAB O=C(/C=C/c1ccco1)Nc1cnn(C[C@H]2CCCCO2)c1 390827065 DRRFKGFJNPVHSU-LQYUOIDQSA-N 301.346 2.697 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)Cc2ccco2)n1 44955532 UWTKOPBJZFBGGE-STQMWFEESA-N 318.421 2.659 0 40 DFAB OCc1cc2cc(I)ccc2nc1Cl 685937331 PJMUFHKRXOGGDB-UHFFFAOYSA-N 319.529 2.985 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)c1ccccc1C(F)(F)F 75157489 MHLQNYXCWZILBE-CYBMUJFWSA-N 321.364 2.939 0 40 DFAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 71797010 QPXGQQULIYXVQX-KRWDZBQOSA-N 313.401 2.725 0 40 DFAB O=C(CCc1ccc(Cl)cc1)N1CC[C@@](O)(C(F)(F)F)C1 78026288 ATKFGBWJJJNAED-ZDUSSCGKSA-N 321.726 2.798 0 40 DFAB CCCN1CCCN(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 84755315 RPVWGWPXAFMZSA-UHFFFAOYSA-N 321.469 2.896 0 40 DFAB Cc1c(NCc2cn(C)nc2-c2cccnc2)cccc1C(N)=O 92144989 BPPBLFOEPSHAAI-UHFFFAOYSA-N 321.384 2.502 0 40 DFAB Cc1cc(C)cc(NC(=O)CN[C@H]2CCCCC[C@H]2CO)c1 95941488 NZABDFMYXXSCAA-RDJZCZTQSA-N 304.434 2.773 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 104653614 FRJBBBSYXLEGPR-UHXUPSOCSA-N 314.385 2.572 0 40 DFAB O=C(CSCc1ccccc1)N[C@@H]1CCC12CCOCC2 585408174 HQQJXOSSZWAKDP-OAHLLOKOSA-N 305.443 2.995 0 40 DFAB C[C@H](CNC(=O)Cc1ccccc1O)COCc1ccccc1 78394375 KRKCGUKTBBGJJW-OAHLLOKOSA-N 313.397 2.904 0 40 DFAB COC1=C[C@H]2O[C@H]3OC(=O)C[C@H]3[C@@H]2C(OCc2ccccc2)=C1 5029007 LUMSFOHAOHIUOZ-NZPGVSJUSA-N 314.337 2.535 0 40 DFAB O=c1[nH]c(/C=C/c2cnn(-c3ccccc3)c2)nc2cnccc12 151485035 KVEUYMDFQMUEJF-VOTSOKGWSA-N 315.336 2.674 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156597 NBLNNOHEOJBPKF-CQSZACIVSA-N 321.348 2.679 0 40 DFAB CCNC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 325013 SBFHVNJGRLPMNQ-CYBMUJFWSA-N 300.362 2.993 0 40 DFAB S=C(NCCc1ccccc1)Nc1ccc2c(c1)OCO2 3227932 BSLZPJUHEPNCAR-UHFFFAOYSA-N 300.383 2.944 0 40 DFAB CN(C)c1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1 31338059 ZLABPYDQEZJCLC-UHFFFAOYSA-N 323.440 2.541 0 40 DFAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(N)=O)cc1 32674253 NXTPSJUGEREHJA-UHFFFAOYSA-N 320.751 2.850 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)CCc3ccc[nH]3)C[C@@H]21 1565544107 DEQKAMUOTSHRKZ-XJKSGUPXSA-N 324.428 2.659 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1 23143479 FHGMSMUFOSVAOY-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)on1 12422399 VKVQJBZZCUKEMQ-ZETCQYMHSA-N 319.386 2.521 0 40 DFAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F 34726 SKWZUNVOVLSFEH-UHFFFAOYSA-N 306.247 2.921 0 40 DFAB Cc1ccccc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCCC1 40528337 YEGGVUQREDSAOF-CQSZACIVSA-N 323.458 2.747 0 40 DFAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)CC(=O)N2 40553606 HBMSGKZENKPCJD-QMMMGPOBSA-N 304.733 2.919 0 40 DFAB CC(=O)NCCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 51468218 MTNRAFSGVSASDM-UHFFFAOYSA-N 317.216 2.523 0 40 DFAB Cc1cc(O)n2nc(NCc3c(F)cccc3Cl)nc2n1 101451479 VLNNFFNLDUPSAD-UHFFFAOYSA-N 307.716 2.543 0 40 DFAB COc1cc(OC)c(C2=CCN(C(=O)C(C)C)CC2)c(OC)c1 11918494 DSUQBGVDBGIZJY-UHFFFAOYSA-N 319.401 2.984 0 40 DFAB CC(=O)N[C@@H](C)C(=O)Nc1nc2ccccc2n1C1CCCC1 76933645 QHUGAWHQBLZCBC-NSHDSACASA-N 314.389 2.615 0 40 DFAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2cccs2)C1 32755211 GIAXNPVDHQLJHQ-JTQLQIEISA-N 321.427 2.696 0 40 DFAB Cc1cccnc1NC(=O)CNC(=O)c1c(F)cccc1Cl 78560327 OJPNPZIBJDZVGK-UHFFFAOYSA-N 321.739 2.551 0 40 DFAB Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1C[C@H]1c1cccnc1 78877132 CIMVLSFCWBZPOA-NWDGAFQWSA-N 305.765 2.624 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nccs2)cc1 79349770 AVDQEXHFQZEWDW-CYBMUJFWSA-N 315.398 2.581 0 40 DFAB Cc1noc(C)c1COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102424840 PYCRLRIMRRGGHM-QJRTVWDNSA-N 305.374 2.666 0 40 DFAB CCOC(CC[C@@H]1[C@H](CO)c2ccccc2N1C(C)=O)OCC 481546 KCJQXHNSGBDBRB-NVXWUHKLSA-N 321.417 2.677 0 40 DFAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 7323246 NWTQQLOVTAERBB-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB O=C(CC(=O)C(F)(F)F)Nc1ccccc1Br 100645387 YIJDEPFHPDLANL-UHFFFAOYSA-N 310.069 2.909 0 40 DFAB COC(=O)c1cc(CN[C@H]2CCCC[C@H]2n2cccn2)oc1C 97034995 AREMRIHWIJNXFM-JKSUJKDBSA-N 317.389 2.845 0 40 DFAB Cc1ocnc1C(=O)N[C@H](CC(=O)O)c1cccc(Cl)c1 97036524 ZGSYVJOVVKGSJP-LLVKDONJSA-N 308.721 2.582 0 40 DFAB Cc1nc(CNC(=O)c2ccc3c(c2)OCCCO3)cs1 42118146 NFKXQMGLWFQQLD-UHFFFAOYSA-N 304.371 2.543 0 40 DFAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc[nH]n3)c12 23141252 JYTTXBIRDCYNKN-UHFFFAOYSA-N 320.312 2.569 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1ccc(O)c(Cl)c1 23318995 IQZXCQQPDADCHA-UHFFFAOYSA-N 315.760 2.666 0 40 DFAB Cn1nnnc1Sc1ncnc2sc3c(c12)CCCCC3 23380786 XPIHZXHOKPJBKD-UHFFFAOYSA-N 318.431 2.635 0 40 DFAB COc1ccccc1N1CCN(C[C@H](O)c2ccccc2)CC1 23386536 NFWAYLDZFWPDIF-SFHVURJKSA-N 312.413 2.551 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@@H](C)Cc2ccccc2SC)C1 97084630 HDPVMBSBGOIKJT-ZFWWWQNUSA-N 321.490 2.733 0 40 DFAB COc1ccc(OC(=O)c2cn(C)nc2C(F)(F)F)cc1 1404939 LKHSWGIGDMRTHS-UHFFFAOYSA-N 300.236 2.667 0 40 DFAB O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]2CC[C@H]1O2 108080220 MKDBGMPQMQEKAM-GRYCIOLGSA-N 301.371 2.711 0 40 DFAB O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H]2CC[C@H]1O2 108080216 MKDBGMPQMQEKAM-IJLUTSLNSA-N 301.371 2.711 0 40 DFAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@H]1CCCc2ccccc21 44385398 XVGSAVQFYZWONF-MAUKXSAKSA-N 322.408 2.989 0 40 DFAB O=C(CSc1nnc(-c2ccco2)o1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100413313 KWADHRWQUMUBSH-GMTAPVOTSA-N 319.386 2.727 0 40 DFAB CCc1noc(CC)c1CNC(=O)[C@@H]1COc2ccccc21 87433893 CRNGIQYKTDOAMB-CYBMUJFWSA-N 300.358 2.592 0 40 DFAB COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1c1cc3ccccc3cc12 100604281 RRCFMWLKXOAGCC-HOTGVXAUSA-N 310.305 2.608 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 48020400 FBKIZGZJUUJKHB-BETUJISGSA-N 320.389 2.895 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCN(Cc3cscn3)CC2)c1 27454303 WWHARGKPMIYHFM-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB CC(C)OCCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O 44896982 AUVKFTZYNNWGGB-OAHLLOKOSA-N 318.417 2.509 0 40 DFAB CCOc1ccc(OCC)c(NC(=O)[C@H](NC(C)=O)C(C)C)c1 24041521 HSNJMJVOCBEVDD-MRXNPFEDSA-N 322.405 2.583 0 40 DFAB N=C(NCC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1 58404648 RDXSKASWPDYDRT-UHFFFAOYSA-N 316.792 2.593 0 40 DFAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2)cc1 48354335 VWJZDUKHSQCEAI-LBPRGKRZSA-N 300.358 2.738 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2C(N)=O)c1 12891672 XGCUSKNCLWAJNE-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB COc1ccc(CCCN(C)CC(=O)Nc2nccs2)cc1 69416322 CYYPQJDVGUQTSI-UHFFFAOYSA-N 319.430 2.655 0 40 DFAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(O)cc1)c1ccccc1 3556335 GPYZUANOADKVRJ-ZDUSSCGKSA-N 313.353 2.991 0 40 DFAB CCOc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 69489427 CQZDOTGSXOMFPC-IRXDYDNUSA-N 302.418 2.784 0 40 DFAB COc1cccc(CCC(=O)Nc2ncccc2C)c1OC 27651199 TWHZUPFZIRZZJX-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB CCCS(=O)(=O)Nc1ccc(C(=O)N(C(C)C)C2CC2)cc1 69921536 QPTAOOHDIXAXET-UHFFFAOYSA-N 324.446 2.851 0 40 DFAB Cc1csc(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cc2)n1 69595022 CJXPVHDXJCYNRJ-LBPRGKRZSA-N 315.398 2.535 0 40 DFAB COCCNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 17309802 PTHMQYWEFRLQOH-UHFFFAOYSA-N 314.385 2.684 0 40 DFAB CCc1nc(CCNC(=O)Cc2noc3ccccc23)cs1 69653328 ZMYGOFQEFVEGRE-UHFFFAOYSA-N 315.398 2.748 0 40 DFAB C[C@@H](NC(=O)c1cccs1)c1ccc2c(c1)NC(=O)CO2 65399431 DFAMQASHQLXAAY-SECBINFHSA-N 302.355 2.570 0 40 DFAB COc1cccc(OC)c1OC(=O)c1cccc(NC(C)=O)c1 8771233 HDPPMMWFXLOVOQ-UHFFFAOYSA-N 315.325 2.881 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(C2CC2)on1 65417266 GIDKFWRMHCNUPV-AWEZNQCLSA-N 315.373 2.712 0 40 DFAB CCOc1ccccc1OCc1cc(=O)n2ccsc2n1 14119690 MRFYYYWQPNRHIZ-UHFFFAOYSA-N 302.355 2.734 0 40 DFAB Cc1noc([C@@H]2CCCN(CC(=O)c3c[nH]c4ccccc34)C2)n1 69704348 SNXMCRILVMPENJ-CYBMUJFWSA-N 324.384 2.922 0 40 DFAB O=C1O[C@@H](C(=O)N2CCCc3ccccc32)Cc2ccccc21 14240186 WWBMRYYLJSHCER-QGZVFWFLSA-N 307.349 2.748 0 40 DFAB COCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 6511714 FAWZALVUHKXNQZ-MRVPVSSYSA-N 310.444 2.892 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2csc(C3CC3)n2)cn1 69848097 WFPFWTWBPUQRRN-CYBMUJFWSA-N 302.403 2.731 0 40 DFAB CCCCc1nc2ccccc2n1CC(=O)NC1=NCCS1 6657656 AQSXBSSDHJYSSU-UHFFFAOYSA-N 316.430 2.598 0 40 DFAB COc1ccc(NC(=O)Cn2c(C)csc2=O)cc1Cl 6846631 SGKNVIFSLRSMTI-UHFFFAOYSA-N 312.778 2.519 0 40 DFAB Cc1ccc(-n2ncc3c2ncn2c(S)nnc32)cc1Cl 5969250 WUKFZARQNWQCBI-UHFFFAOYSA-N 316.777 2.714 0 40 DFAB CCc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)sc1C 8851663 DRPNGOFRVGSXAG-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccsc1 7225960 KCJXFCOLCMOSCM-CQSZACIVSA-N 301.367 2.925 0 40 DFAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccco1 7281122 UAYNWIDIWIPRFG-NSHDSACASA-N 320.418 2.567 0 40 DFAB COC(=O)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 15623579 PJBJEKIQAWQNPC-UHFFFAOYSA-N 320.433 2.550 0 40 DFAB C[C@@H](OC(=O)/C=C/c1ccc(-c2ccccc2)s1)C(N)=O 7420384 HVBYGCUGXCKYPV-RJCSOLBVSA-N 301.367 2.845 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1 71186000 YVCLHPQLNFPSOP-CQSZACIVSA-N 321.384 2.612 0 40 DFAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccco2)C1 7985242 ZMTKFABKNVVERV-NSHDSACASA-N 318.760 2.920 0 40 DFAB CC(C)N(CC(N)=O)Cc1ncc(-c2ccc(Cl)cc2)o1 16419752 FFXYZKCJQYRCSY-UHFFFAOYSA-N 307.781 2.691 0 40 DFAB CCOCCOc1cccc(C(=O)Nc2cccc(N)c2)c1 19736686 CICNFQZCCGDBIU-UHFFFAOYSA-N 300.358 2.936 0 40 DFAB OCC[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1 84335473 NLPAPZJROBDXNI-SNVBAGLBSA-N 302.187 2.793 0 40 DFAB O=c1oc2cccnc2n1Cc1ncc(-c2ccc(F)cc2)o1 84493535 DUICRIUNDHCVBJ-UHFFFAOYSA-N 311.272 2.832 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccc(F)cc1 71859201 VBODFTWUPRIJFN-MCMMXHMISA-N 319.401 2.779 0 40 DFAB C[S@](=O)Cc1cccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 83990165 MFCHVOLKUBYHLG-KSFYIVLOSA-N 316.426 2.871 0 40 DFAB COc1ccc(CCNC(=O)Nc2ccnc(C)c2)cc1OC 96713148 PGWKVONJPHMOJB-UHFFFAOYSA-N 315.373 2.771 0 40 DFAB CC(C)[C@@H](O)CC(=O)NCc1cc(F)ccc1Br 95432640 XMVZROWOMMOIRX-LBPRGKRZSA-N 318.186 2.611 0 40 DFAB CCOC(=O)C[C@@H](OC(=O)c1cccc(COC)c1)C1CC1 95450070 WHWFUSMMUBXGLH-OAHLLOKOSA-N 306.358 2.722 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccnc2N(C)C)c(C)c1 95946301 SMROCQNNUWYZJF-UHFFFAOYSA-N 305.403 2.565 0 40 DFAB O=C(Nc1cccc2cn[nH]c12)c1cccc(OCC(F)F)n1 89688583 ZYPJJJIGJOZIIJ-UHFFFAOYSA-N 318.283 2.854 0 40 DFAB Cc1cnc(CCNS(=O)(=O)C[C@H](C)c2ccccc2)s1 89702416 USLBROCKPTWQQE-LBPRGKRZSA-N 324.471 2.717 0 40 DFAB CCO[C@@H](CC)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 65588230 MKPPBEOYYBSABO-GJZGRUSLSA-N 308.422 2.656 0 40 DFAB Cc1nnsc1-c1nn2c(-c3cccs3)nnc2s1 32070204 LOOZWENTFHTOKL-UHFFFAOYSA-N 306.401 2.741 0 40 DFAB CN(C)C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)C1 129941524 SDKQGARFZLBWGQ-CXAGYDPISA-N 319.424 2.870 0 40 DFAB CC(=O)N1CCc2cc(C(=O)O[C@@H](C)c3ccccn3)ccc21 79102056 JLPJWLCEXNUUHA-LBPRGKRZSA-N 310.353 2.909 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCCCC3)C2)cc1 35971962 FSXREZAHSRHTHY-QGZVFWFLSA-N 302.374 2.591 0 40 DFAB CC(C)N1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 35425788 JDWXDJRXGVRGJY-AWEZNQCLSA-N 324.388 2.863 0 40 DFAB biogenic,in-vitro O=C(Nc1nncs1)C1(c2ccc(Br)cc2)CC1 31273092 SYLARHTZTDGSAR-UHFFFAOYSA-N 324.203 2.971 0 40 DFAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCSCC1 71281019 RMBDMMSWFKYCHS-UHFFFAOYSA-N 305.428 2.703 0 40 DFAB O=C(CCc1cccc(Cl)c1)NCc1nncn1C1CC1 78603823 LYPWBIRWCRSTMT-UHFFFAOYSA-N 304.781 2.515 0 40 DFAB Cc1cc(F)ccc1C(=O)N1CCC[C@H]1c1ccc(O)nn1 530075466 KEHZIHZWQDVNKO-AWEZNQCLSA-N 301.321 2.607 0 40 DFAB Cc1cccc(NC(=S)NCCCN2CCC(C)CC2)n1 225437925 CCJHBVMUDMGVSK-UHFFFAOYSA-N 306.479 2.798 0 40 DFAB c1ccc(CCCO[C@H]2CCN(c3ncnc4[nH]cnc34)C2)cc1 80232823 IXQUMQIZGLGARL-HNNXBMFYSA-N 323.400 2.581 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NCc2cccnc2)c1 225331854 YTXSORYUGNFRMA-UHFFFAOYSA-N 315.398 2.745 0 40 DFAB O=C(Nc1cc(F)ccc1OCC1CC1)N1CCC(CO)CC1 191771698 PPDWYJKQQSSCMX-UHFFFAOYSA-N 322.380 2.851 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)nn2)cc1F 530070696 GGNMCEWXIBCPEF-AWEZNQCLSA-N 301.321 2.607 0 40 DFAB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@H]1CC=CCC1 96455028 CGIGQSUZMYEPDD-FPTDNZKUSA-N 320.458 2.922 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)Nc1cnn(CC(C)C)c1 96435516 LCKMEYZRWMPNIR-NSHDSACASA-N 319.409 2.897 0 40 DFAB Cc1c(CN2CCCN(Cc3ccccc3F)CC2)cnn1C 97228414 PKTXSMMCKZGSCG-UHFFFAOYSA-N 316.424 2.576 0 40 DFAB Cc1cnc(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)s1 96439236 YVDKFHRHYRDDNG-YPMHNXCESA-N 311.451 2.846 0 40 DFAB O=C1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccc(F)cc21 96261798 YBKJYWDTQYQNCE-UHFFFAOYSA-N 324.355 2.981 0 40 DFAB CC[C@H](OC1CCCCC1)C(=O)NCc1nc(C2CC2)no1 97227987 OBKBYCNUCRUYRA-ZDUSSCGKSA-N 307.394 2.691 0 40 DFAB N[C@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 95426332 BEAUNPDQWMBZCV-SFHVURJKSA-N 322.408 2.808 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)CCCO2 579200556 QTPQGFCSUONOEG-LZWOXQAQSA-N 302.418 2.761 0 40 DFAB CCOc1ccc(-c2nc([C@H](N)C(C)C)n[nH]2)cc1OCC 95534810 ZBNCOZLELIVTJU-CQSZACIVSA-N 304.394 2.925 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O 97095310 QBUNOJORVRTXGP-GLQYFDAESA-N 322.453 2.610 0 40 DFAB Cc1cccc(CN2CC3(C[C@H](OCC4CC4)CS3)C2)n1 247877217 PGDIIUFJYCNGJY-INIZCTEOSA-N 304.459 2.877 0 40 DFAB Cc1cccc(N2CCC[C@@H](NC(=O)c3ccccc3F)C2)n1 257242265 IBSGCKGIFZFYLV-CQSZACIVSA-N 313.376 2.928 0 40 DFAB COCc1nc2n(n1)C[C@H](NC[C@H](C)C1CCCCC1)CC2 583651982 XQJAIVZKZHIIDH-DZGCQCFKSA-N 306.454 2.545 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)n1 257308988 TZBFNELCRJKGIY-UHFFFAOYSA-N 320.343 2.755 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1Sc1ccc(F)cc1 255190730 ZAZHDZMRRKRXOK-UHFFFAOYSA-N 309.343 2.678 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)Cc3ccc(C)s3)C2)n1 257332330 XWUQFQZVTBQJPB-CYBMUJFWSA-N 301.415 2.714 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nccnc2-c2cn[nH]c2)C1 257263397 LPTFFQSXEFUCLJ-GFCCVEGCSA-N 313.405 2.619 0 40 DFAB Cc1ccc([C@@H](CNC(=O)Nc2cccs2)OCCO)cc1 96338358 WGZJUIFMNFDPBT-CQSZACIVSA-N 320.414 2.928 0 40 DFAB O[C@H](Cn1nnnc1-c1cccc(Cl)c1)C1CCCCC1 642813790 YPKLVGMUGYEPBA-CQSZACIVSA-N 306.797 2.935 0 40 DFAB Cc1c(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cnn1C 585284042 DZXPONDGFUOWHI-SUMWQHHRSA-N 305.422 2.538 0 40 DFAB C[C@H](c1cccs1)N(C)C(=O)c1ccnc(-n2cncn2)c1 53790078 XBICMMIMPQXBIL-LLVKDONJSA-N 313.386 2.557 0 40 DFAB C[C@@H](c1ccco1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1 56182157 NUHFGJQKJIWSCF-LBPRGKRZSA-N 323.356 2.621 0 40 DFAB CC(C)c1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1 65433554 SEEBYYSGQMKLNQ-GFCCVEGCSA-N 317.389 2.610 0 40 DFAB COc1ccccc1N1CCN(c2nc(C(C)C)ns2)CC1 80761497 HXZKXUCMYXQDSS-UHFFFAOYSA-N 318.446 2.997 0 40 DFAB NCc1cccc(I)c1Br 169797846 SFNGIIOXHMNDSC-UHFFFAOYSA-N 311.948 2.512 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(C)=O)c1 5226660 DBSGMYCUCJRBOC-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)s1 13686833 GFOYXFOCZHFCCY-CYBMUJFWSA-N 323.487 2.718 0 40 DFAB COC(=O)/C=C\[C@]1(CC(C)C)N=C(c2ccccc2)OC1=O 17138814 MWMMAQCHIURHLC-DOOKAGJSSA-N 301.342 2.504 0 40 DFAB COc1ccc(NC(=S)NC(=O)c2cccnc2Cl)cc1 153264 IJVJSAHDPFKKCS-UHFFFAOYSA-N 321.789 2.870 0 40 DFAB Cn1ncc2c(Oc3ccc(Br)cc3)ncnc21 1718444 IBXLDXWVANGZQD-UHFFFAOYSA-N 305.135 2.918 0 40 DFAB COCCN(CCOC)C(=O)c1ccc(Cl)cc1Cl 3198506 KZWVFOIHCPVENV-UHFFFAOYSA-N 306.189 2.728 0 40 DFAB O=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc1 3253963 AUEHNAIGOJTVQN-UHFFFAOYSA-N 320.348 2.708 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)no1 12861952 ALPWIXFMFTVWIX-UHFFFAOYSA-N 311.135 2.763 0 40 DFAB CCOC(=O)c1c(C)n(CCC(=O)O)c2ccc(OC)cc12 59880 FNGOFJJUUDUALZ-UHFFFAOYSA-N 305.330 2.610 0 40 DFAB biogenic O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cn1 9909932 FUVNTZHNQULRCF-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB C[C@H](O)CN(C[C@@H](C)O)c1ccc2c(c1)Cc1cc(F)ccc1-2 22346218 XQGIPTZYDFQCJB-BETUJISGSA-N 315.388 2.965 0 40 DFAB C[C@@](O)(CNC(=O)c1csc(-c2ccccc2)n1)C1CC1 206710112 FUPXMNPQCMFUBR-MRXNPFEDSA-N 302.399 2.701 0 40 DFAB Cc1ccc(OS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 13305767 PPWLJMFNTLPZFP-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB Fc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1 40267706 VWZRVCYNKWBFPO-UHFFFAOYSA-N 311.345 2.978 0 40 DFAB Cc1nc(C)c(C(=O)NCCc2ccc3c(c2)OCCO3)s1 31354472 SMIVKJJRJNYPLG-UHFFFAOYSA-N 318.398 2.504 0 40 DFAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CCCCC1 911896 AFKOXSNQJPGSKF-UHFFFAOYSA-N 316.401 2.678 0 40 DFAB COc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 76249383 OUQHGCFNARCIHX-GOEBONIOSA-N 321.442 2.822 0 40 DFAB C[C@H](NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 1462875 XHDCLAIZWOHGHB-RZAIGCCYSA-N 301.386 2.986 0 40 DFAB O=C(N[C@@H]1CCc2ccccc2C1)N1CCC(n2ccnc2)CC1 78748018 RGOADHAWDVBZTR-QGZVFWFLSA-N 324.428 2.787 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)Cc1cccc2cccnc12 79107527 YWBWHPQYARZESH-CZUORRHYSA-N 324.380 2.999 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)c1cnc2c(cnn2C(C)C)c1 32869003 ANFBLVQUCSLCNB-UHFFFAOYSA-N 312.377 2.615 0 40 DFAB CC(C)OC(=O)CCNC(=O)C1=Cc2cc(Cl)ccc2OC1 32823571 KEODEESDLGLRHR-UHFFFAOYSA-N 323.776 2.574 0 40 DFAB CCc1nnc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)s1 32924079 BEXHCTPOMAWUEV-SNVBAGLBSA-N 321.402 2.653 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccn1 7059106 GGIPSOPXEFKBLU-ZDUSSCGKSA-N 316.426 3.000 0 40 DFAB CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 523959 PISBWVJTQBOEIQ-KKSFZXQISA-N 305.314 2.994 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)cn1 46872036 VLWCTXZTAJHTKQ-CQSZACIVSA-N 300.362 2.733 0 40 DFAB COCCC(=O)NC1(c2nc(C(C)(C)C)no2)CCCCC1 97085822 YMSZOWXSXOBHMM-UHFFFAOYSA-N 309.410 2.679 0 40 DFAB O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@H]6C=C[C@H]4C(=C6)[C@@H]3[C@@H]5[C@@H]2C(=O)N1c1ccccc1 104288470 QMPRSJAWTQVIDX-QQCACDHUSA-N 315.372 2.656 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1OC 33889721 YPEKJNLCFXOAOU-UHFFFAOYSA-N 323.370 2.519 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCC1(c2ccncc2)CC1 97045592 OWFVXVJJKLYGRV-LBPRGKRZSA-N 312.417 2.763 0 40 DFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](C)CCc2ccccc2)C1 105715761 NVXZMQLLEHEFFM-OWCLPIDISA-N 324.490 2.820 0 40 DFAB COc1ccc(CN/C=C2/N=C(c3ccccc3)OC2=O)cc1 105930465 WMXPEKBQZSUGEJ-FOWTUZBSSA-N 308.337 2.630 0 40 DFAB CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 55273930 XGUZEJBMDAIEKF-UHFFFAOYSA-N 318.398 2.725 0 40 DFAB O=C(O)CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 1443506 QFXBRTRUIPJKDK-UHFFFAOYSA-N 318.398 2.867 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC1CCN(C)CC1 47886454 JVFHTPHBOYMQRC-HNNXBMFYSA-N 319.449 2.995 0 40 DFAB C[C@H]1CN(C(=O)NCc2nc3ccccc3s2)C[C@H](C)O1 44892615 QEZBDVHJHGGVNB-QWRGUYRKSA-N 305.403 2.615 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)OCC(=O)N2 44868673 ZDIXNZXAAPNTLH-UHFFFAOYSA-N 322.364 2.919 0 40 DFAB CCC(C)(C)NC(=O)Cn1nc(C)nc1-c1cccc(C)c1 58342334 MRQUVFGLBGKWGB-UHFFFAOYSA-N 300.406 2.867 0 40 DFAB COc1ccccc1OCC(=O)NCCc1cc(F)cc(F)c1 58331779 LZRZFUKUHMSOBN-UHFFFAOYSA-N 321.323 2.711 0 40 DFAB C[C@H]1CCCc2sc3ncn4nc(/C=C/C(=O)O)nc4c3c21 2241118 QYNWFCKKLCTFJY-GJIOHYHPSA-N 314.370 2.877 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)s1 3384732 UOIGYWHZDDAMEU-UHFFFAOYSA-N 318.398 2.918 0 40 DFAB C[C@@H](NC(=O)CC(C)(C)C)c1ccccc1NS(C)(=O)=O 45780507 UUFQUOLFNNCYAI-LLVKDONJSA-N 312.435 2.672 0 40 DFAB CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 3498934 QTNRCNCMIRPQCG-UHFFFAOYSA-N 324.837 2.847 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3470808 UHJCSCDJODUJQA-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 3510825 MDZOZQAZNRJQJU-UHFFFAOYSA-N 316.332 2.687 0 40 DFAB CN(C)Cc1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)cc1 69592079 MCFOYIFOZRQHBJ-UHFFFAOYSA-N 321.384 2.581 0 40 DFAB c1ccc2c(c1)OCC[C@H]2NCc1cnc(N2CCCC2)nc1 48682942 VQGWSXQDTWVWNU-MRXNPFEDSA-N 310.401 2.690 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccccn1)c1ccc2c(c1)OCCO2 17368008 XOYFUUJWJODEGO-QGZVFWFLSA-N 312.369 2.980 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C[C@@H](C(N)=O)CC[C@@H]1C 69657091 YUNFVKFIAZWSES-WFASDCNBSA-N 313.401 2.736 0 40 DFAB COC1CCN(Cn2c(-c3ccccc3F)csc2=O)CC1 69699520 UHFJDJAGXANONC-UHFFFAOYSA-N 322.405 2.784 0 40 DFAB COCCNC(=O)NCCc1csc(-c2ccc(C)cc2)n1 69622347 LAQAGXCMMZYPAY-UHFFFAOYSA-N 319.430 2.607 0 40 DFAB Cc1ccc2oc(N3CCN(c4nccs4)CC3)nc2c1 69974557 HXAHEDPCXUGXDP-UHFFFAOYSA-N 300.387 2.919 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccccc1F)C2=O 4308973 GZOQQGMOMRMTNW-APPDUMDISA-N 318.348 2.509 0 40 DFAB O=C(Cc1ccccc1F)Nc1ccccc1N1CCOCC1 6345866 DHSMFESARZEXHV-UHFFFAOYSA-N 314.360 2.844 0 40 DFAB CCc1ccccc1N1C(=O)Nc2ccccc2S1(=O)=O 4483812 AFSAMUVKENYDFT-UHFFFAOYSA-N 302.355 2.990 0 40 DFAB COc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C 8715146 HQDKSAYWGVMXJM-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(F)c2)[C@@H]1C 6409570 MAHAQRTYZATCSU-LALPHHSUSA-N 307.365 2.923 0 40 DFAB COc1ccc(Cl)cc1CN1C(=O)N[C@@H](CC(C)C)C1=O 14275741 JXWDWQOCCIJNMC-LBPRGKRZSA-N 310.781 2.815 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)OCc1ccccc1F 5534927 PWIRGWPINAXCBT-UHFFFAOYSA-N 308.330 2.586 0 40 DFAB COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1C 4704938 FHFPVJSPVLIEQT-UHFFFAOYSA-N 317.476 2.814 0 40 DFAB Cc1cnc(C(=O)OCc2nc3ccccc3n2C(F)F)cn1 14902200 QYJYKCDDXWQZRL-UHFFFAOYSA-N 318.283 2.887 0 40 DFAB COCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4912057 VMXDNNPWSUQREK-NSHDSACASA-N 317.341 2.632 0 40 DFAB C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)nc2)[C@@H]1C 16093984 DZFKCTMRVXTCJY-FOGDFJRCSA-N 302.827 2.838 0 40 DFAB COC(=O)C1(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 96010587 HEWGXZIBJKRMHG-UHFFFAOYSA-N 316.279 2.619 0 40 DFAB CN1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 9367681 GPRAGMYCXVLZBI-UHFFFAOYSA-N 309.413 2.620 0 40 DFAB CN(C[C@H](O)C(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 97141819 TVELVTTYRBDVLE-AWEZNQCLSA-N 320.330 2.650 0 40 DFAB CN(C)CCN(Cc1ccccn1)C(=O)c1ccccc1Cl 71885767 OURHJRYEOVQJLQ-UHFFFAOYSA-N 317.820 2.939 0 40 DFAB Cc1ccc(-c2cc(CN3C(=O)[C@H]4CCCN4C3=O)on2)cc1 95350072 KHFBUQLIQPREHQ-OAHLLOKOSA-N 311.341 2.577 0 40 DFAB Cc1noc(C2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)n1 95369403 UEICRBWYDSRJNO-AATRIKPKSA-N 301.346 2.699 0 40 DFAB CC[C@@H](NC(=O)CCc1nc[nH]n1)C12CC3CC(CC(C3)C1)C2 95408896 KZIZAHWXVNVFLR-GNFNDJEDSA-N 316.449 2.849 0 40 DFAB Cc1cc(NC(=O)c2cnn(C)c2)cnc1N1CCCC[C@@H]1C 95468539 VDGRGIZSWPDWGF-ZDUSSCGKSA-N 313.405 2.755 0 40 DFAB CC(C)(C)O[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 95436785 XGBBSSCQRXTZPS-IMJJTQAJSA-N 303.402 2.596 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N[C@H](C)c2cnn(C)c2)c1 88587457 LAWSKYAMDLOPOB-CYBMUJFWSA-N 315.421 2.801 0 40 DFAB Cc1nn(C(C)(C)C)c(=O)n1Cc1cc(-c2cccs2)on1 95992756 YFOMVZOGWBCZFM-UHFFFAOYSA-N 318.402 2.873 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cccc2cc[nH]c12 95980341 YOIGVVNWJAHJIC-OAHLLOKOSA-N 324.384 2.722 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 95969937 VHEKDLVDFJJOPP-NSHDSACASA-N 316.357 2.508 0 40 DFAB CSC1(CNC(=O)N(C)[C@@H](C)c2ccco2)CCOCC1 74737957 NERWOVDSEUYKQB-LBPRGKRZSA-N 312.435 2.894 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@@H](O)CNC[C@H]2CCCO2)c1 9970635 PVJNDXXKEPSILW-JKSUJKDBSA-N 307.434 2.627 0 40 DFAB C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC(O)CC1 89420065 LTABEUAHKIUQDY-SECBINFHSA-N 317.216 2.777 0 40 DFAB Cc1nnc2ccc(NC[C@H]3C[C@]34CCc3ccccc34)nn12 89740965 GYFWOOVIFUAVQO-RDTXWAMCSA-N 305.385 2.749 0 40 DFAB CC1CCN(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)CC1 26552191 QWTZOCDTAPWCJC-UHFFFAOYSA-N 310.756 2.698 0 40 DFAB Cc1ccc(-c2cc(C(=O)N(C)CCn3cccn3)[nH]n2)cc1C 186822292 NLRIJUHFLUSOGG-UHFFFAOYSA-N 323.400 2.662 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NCCO 79408152 UHJHANOEUGMEIA-KBPBESRZSA-N 300.443 2.525 0 40 DFAB CCOC(=O)c1c[nH]c2cc(OCC)c(OCC)cc2c1=O 39220705 CGFUENFJWGKWEL-UHFFFAOYSA-N 305.330 2.502 0 40 DFAB CCCN1CC=C(c2nn3c(C(F)(F)F)nnc3s2)CC1 73636309 BCYQTMAPFPDBHF-UHFFFAOYSA-N 317.340 2.704 0 40 DFAB COc1c(NC(=O)C2=C(C)Oc3ccccc3C2)c(C)nn1C 74678474 XWDRGVHDYRFXDQ-UHFFFAOYSA-N 313.357 2.585 0 40 DFAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1OC(F)F 225793535 ANFBLRNICVPSLR-DMTCVQMQSA-N 319.307 2.990 0 40 DFAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccncc1 225788359 MJDHDNBFZZEMRE-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB COCCCN1CCC(c2nccc(C(F)(F)F)n2)CC1 225502215 SDFKIJQKXDQLTD-UHFFFAOYSA-N 303.328 2.711 0 40 DFAB COC(=O)c1ccc(C)c(NC(=S)NCc2cccnc2)c1 225331401 KRLKLJWBNXKACK-UHFFFAOYSA-N 315.398 2.663 0 40 DFAB CCNC(=O)c1cc(N)ccc1Nc1cc(OC)ccc1OC 225481465 GIAVMPPTUOASKE-UHFFFAOYSA-N 315.373 2.779 0 40 DFAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccccc1 75165391 DJLXNQCRFXDYSB-UHFFFAOYSA-N 319.364 2.794 0 40 DFAB CCOc1c(I)cc(F)cc1C(=O)O 225277955 QSFAUYMRHQYOEP-UHFFFAOYSA-N 310.062 2.527 0 40 DFAB CCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225647228 KTDFDYRTRBPCHN-UHFFFAOYSA-N 320.433 2.915 0 40 DFAB CC[C@@H](NC(=O)NC[C@@H](C)c1cccs1)c1noc(C)n1 96446141 OEYSKLGOLMWWJJ-MWLCHTKSSA-N 308.407 2.994 0 40 DFAB CCOc1cccc2cc([C@@H](C)NCc3ncnn3C)oc12 97230994 SRPSITKSCJKUPL-LLVKDONJSA-N 300.362 2.811 0 40 DFAB C[C@H](NC[C@H](C)N1CCOC[C@H]1C)c1nc2c(s1)CCCC2 91723989 RNMBBPDRBKNKPS-MJBXVCDLSA-N 323.506 2.782 0 40 DFAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccsc1)C2 96229850 FMRCPMNYHLQKNQ-INIZCTEOSA-N 306.431 2.755 0 40 DFAB CCC(=O)Nc1nnc(CCOc2cccc(OC)c2)s1 95116462 ASWXLJZMFWEEST-UHFFFAOYSA-N 307.375 2.517 0 40 DFAB CC(C)CC1(C(=O)NCc2nnc3n2CCCCC3)CCC1 96461941 IVGWKKXBIHYUAB-UHFFFAOYSA-N 304.438 2.837 0 40 DFAB Cc1cc(COc2ccccc2S(=O)(=O)C(F)(F)F)on1 96403473 HACCTCKUWQLXSF-UHFFFAOYSA-N 321.276 2.856 0 40 DFAB CC(C)=CCSc1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1 96420746 BIKJJMPAJLXVEF-ZDUSSCGKSA-N 318.442 2.705 0 40 DFAB Cc1ccc(CN2CCc3ccc(=O)n(CC4CC4)c3CC2)o1 96196688 KBARCQCVNKLRQJ-UHFFFAOYSA-N 312.413 2.761 0 40 DFAB Cc1noc([C@@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)n1 583620544 ZEEDSNLBBBBIPE-OAHLLOKOSA-N 324.384 2.657 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2ccno2)cc1 583615560 JIZUYZPFZORFSQ-DLBZAZTESA-N 302.374 2.555 0 40 DFAB CN(C)C(=O)CN1CCC(Cc2cnc3ccccc3c2)CC1 257316265 VEWHRYRWOUOEMD-UHFFFAOYSA-N 311.429 2.578 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)cc1 256048720 VQXPLRIVVBAYLJ-UHFFFAOYSA-N 300.362 2.510 0 40 DFAB CCOCc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)c1 252486711 MJUYZNUSZFEMHC-KSZLIROESA-N 316.445 2.760 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1cccc3[nH]ccc13)CC2 257305335 SPMBDAGBLZKJNL-QGZVFWFLSA-N 300.402 2.674 0 40 DFAB COC(=O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C 90512746 DARKPXOKYWMLBE-GFCCVEGCSA-N 315.316 2.574 0 40 DFAB Cc1ncc(CN2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)cn1 585279760 ODMPMZWQHFFNQZ-MOPGFXCFSA-N 311.429 2.519 0 40 DFAB C[C@@H](O)[C@H]1CCCCN1C(=O)c1sccc1Br 195552666 QEVIVBYMMRDUML-PSASIEDQSA-N 318.236 2.886 0 40 DFAB O=C(O)C[C@H](CCCC(=O)Nc1nncs1)c1ccccc1 5002219 PIZMYIMEGIPYJV-LBPRGKRZSA-N 319.386 2.905 0 40 DFAB O=C(NC/C=C\Br)N[C@H]1CCNc2ccccc21 5741566 DMWCISDXUFPTJO-MIBUCLJRSA-N 310.195 2.751 0 40 DFAB CCn1nc(C)c([C@@H](C)NC(=O)c2ccn(C(F)F)n2)c1C 19523777 QEWVLJMJDKTBOR-MRVPVSSYSA-N 311.336 2.602 0 40 DFAB C[C@H]1CN(C(=O)c2ccc3c(c2)nc(O)n3C)CC(C)(C)C1 542441078 RVCHSVWLAGSJGH-LLVKDONJSA-N 301.390 2.787 0 40 DFAB CC(C)[C@H](Nc1ccc2nnnn2n1)c1ccc(Cl)cc1 12760161 QGVDWOLQEGQMON-AWEZNQCLSA-N 302.769 2.982 0 40 DFAB Cc1cncc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1888856854 NFCOZGRHUCQYLR-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB c1ccc2oc([C@H]3CCCN(Cc4nnc5n4CCC5)C3)nc2c1 1888901132 XTHHWIVCZHYNCG-ZDUSSCGKSA-N 323.400 2.745 0 40 DFAB Cc1ccc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)cc1 1889139044 ZZHVARVVCNYDEQ-KRWDZBQOSA-N 318.486 2.782 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(Cl)cc2)S1 40487565 DUKQEFHOESTJKL-CYBMUJFWSA-N 311.794 2.515 0 40 DFAB CCC(CC)c1nnc(NC(=O)N[C@@H](C)Cn2cccn2)s1 40526762 NJFNDSJGLVYOAE-JTQLQIEISA-N 322.438 2.848 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 40540594 BYTIIHSZHSSHMN-VXGBXAGGSA-N 321.377 2.896 0 40 DFAB O=C(Nc1ccccc1-n1cncn1)N1CCc2ccccc2C1 40526946 MFZNUEUPKPNZBP-UHFFFAOYSA-N 319.368 2.858 0 40 DFAB C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)N(C)C 32624428 ZSHKICKREAJGJT-JTQLQIEISA-N 316.430 2.773 0 40 DFAB O=C1Nc2cc(Br)ccc2[C@@H]1CNc1cccnc1 102027548 DNPNMPHKLRDETJ-LBPRGKRZSA-N 318.174 2.992 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1 556338 KEUPXKGUBLLBMF-UHFFFAOYSA-N 323.418 2.513 0 40 DFAB COc1ccc(-c2nc(C(=O)N3CCC3)cs2)cc1OC 32780952 NYUXUSVTQHYNRE-UHFFFAOYSA-N 304.371 2.673 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1CC 905399 RTDIYKKJZZAFOV-UHFFFAOYSA-N 324.475 2.987 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(C2CC2)n1-c1ccccc1 2623990 VUZWPZRSMNNWLX-LBPRGKRZSA-N 301.371 2.552 0 40 DFAB Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)[C@H](C)S3)n1 32751239 KUSQGLYTDOZUFS-LBPRGKRZSA-N 324.413 2.827 0 40 DFAB C[C@@H](NNC(=S)N1CCCC1)c1cc2ccccc2cn1 1585130 IKBMYYMQJBMKIQ-GFCCVEGCSA-N 300.431 2.771 0 40 DFAB O=C(c1ccncc1)N1CC[C@@H](OCCCc2ccccc2)C1 79024702 CESLYRQXYJVVRV-GOSISDBHSA-N 310.397 2.946 0 40 DFAB CC(C)(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 2489005 YOEVWPSLFRVOKS-UHFFFAOYSA-N 303.328 2.695 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1 6694443 OCQRAOGLOQOWRA-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB CCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 2638099 VSAIOZFEVUMWDQ-UHFFFAOYSA-N 310.659 2.646 0 40 DFAB Cc1nnc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)s1 6811432 ACZPJHPEMYRBKB-UHFFFAOYSA-N 315.354 2.822 0 40 DFAB CCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)o1 46456418 IHZZSXWAVLGUSD-NSHDSACASA-N 302.378 2.651 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 7056357 RHTVGRXGWDVMKF-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB O=C(NCc1ccccc1N1CCOCC1)c1cccs1 41535871 JUZQSRKXXPQLJT-UHFFFAOYSA-N 302.399 2.515 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)NC(=S)N1 572284 FVPIWZFDVGYCAJ-AWEZNQCLSA-N 322.405 2.818 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@@]1(C)CC1(Cl)Cl 22189337 SPQFKXRWVUWBEJ-GFCCVEGCSA-N 302.157 2.996 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2NC1=O 103318910 WEUYOEPSJJLMCY-MRBYEJRBSA-N 300.358 2.781 0 40 DFAB C[C@H](O)CNc1ccc(C(=O)Nc2cccc(Cl)c2)cn1 72281382 DTOBMXWTTDVUOT-JTQLQIEISA-N 305.765 2.780 0 40 DFAB COCCNC(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 54539435 HOTHQYIYNFWOPS-UHFFFAOYSA-N 318.377 2.802 0 40 DFAB COC(=O)c1ccoc1COC(=O)Cc1c[nH]c2ccccc12 24038961 TWAZCNWWDDWDIQ-UHFFFAOYSA-N 313.309 2.833 0 40 DFAB CC(=O)Nc1ccc2c(CN3CCCCC3)cc(=O)oc2c1 24164254 JTQOINNBVNCBPR-UHFFFAOYSA-N 300.358 2.737 0 40 DFAB CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCC3)sc2c1 3241598 UKXMZFYSZCYYMH-UHFFFAOYSA-N 324.427 2.829 0 40 DFAB O=C(CN1CCC(c2ccncc2)CC1)NCc1cccs1 57729401 GVOBHIKPWQMZJA-UHFFFAOYSA-N 315.442 2.639 0 40 DFAB Cn1ccc2c(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cccc21 62001740 URWJCGCNIGCCJV-LIRRHRJNSA-N 312.413 2.946 0 40 DFAB biogenic C[C@@H]1Oc2c(C(=O)N[C@@H]3CCc4nccn4C3)cccc2[C@@H]1C 72278648 JQDPNCJNOJTHKC-FRRDWIJNSA-N 311.385 2.512 0 40 DFAB CC(=O)c1cccc(NC(=O)NCc2cccc3c2OCO3)c1 58195170 ZZFIOHVEBUXTOI-UHFFFAOYSA-N 312.325 2.940 0 40 DFAB CN(Cc1ccc(F)cc1)C[C@@H](O)COCc1cccs1 44866736 MYOPSELXLKFFCT-OAHLLOKOSA-N 309.406 2.897 0 40 DFAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCCO2 28246105 TZWUBOPFZBSCBR-UHFFFAOYSA-N 321.336 2.896 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)OCCO3)cc1 23603381 ULUYXCCFYQVXTE-UHFFFAOYSA-N 313.353 2.739 0 40 DFAB CC(=O)N1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 48252248 CQGKUUMMTANCGC-NSHDSACASA-N 320.458 2.614 0 40 DFAB Cc1cc(CS(=O)(=O)c2ccc(Br)cc2)on1 44947254 UVJBGNFYNYZCMH-UHFFFAOYSA-N 316.176 2.719 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1ccccn1 58328814 AWCIAWNHMSZOOE-YQQAZPJKSA-N 318.417 2.719 0 40 DFAB CCOC(=O)CN(C(=O)/C=C/c1ccc(OC)c(F)c1)C(C)C 58323854 NEYFUVFANXGUNY-VQHVLOKHSA-N 323.364 2.648 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)no1 3387120 GTJZDQFFMCWTKW-UHFFFAOYSA-N 302.330 2.902 0 40 DFAB C[C@H](Nc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3307766 PERVJAOYAQBXLL-NSHDSACASA-N 316.332 2.671 0 40 DFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@H]1CC=CCC1 12790458 YZRLYAFBISNEGT-AWEZNQCLSA-N 316.401 2.839 0 40 DFAB Cc1cc(=O)n(CC(=O)NCCc2ccccc2)c2ccccc12 27995863 KMULUALKRBRQFW-UHFFFAOYSA-N 320.392 2.669 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c1 29273131 JLTNYSJOCCXGOD-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COc1ccc(CCc2nnc(S)n2C(C)C)cc1OC 11692593 HVQTVLVNVNHRMP-UHFFFAOYSA-N 307.419 2.950 0 40 DFAB C[C@H](OC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 3442396 BVQOBLGSZXCKHK-LBPRGKRZSA-N 313.328 2.960 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 69454075 GFYAICYHFPDQDW-CQSZACIVSA-N 320.408 2.903 0 40 DFAB COCCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 42250894 NCSFERQSZFCKGB-CQSZACIVSA-N 303.324 2.850 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 69560049 XIUFQWTVJHQZAD-FZMZJTMJSA-N 313.323 2.614 0 40 DFAB Cc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 6328441 XBDAKKTXFWDRFD-UHFFFAOYSA-N 323.345 2.706 0 40 DFAB O=C(c1ccsc1)N1CCCN(CC2(O)CCCCC2)CC1 65464925 DJXIXVUSVXNXPU-UHFFFAOYSA-N 322.474 2.591 0 40 DFAB CCNC(=O)CSc1nc(C(C)C)n(-c2ccccc2)n1 14115891 NIBRYPPJYIKPNS-UHFFFAOYSA-N 304.419 2.619 0 40 DFAB c1cncc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1 4511389 ZLQWNLZHEQFINV-UHFFFAOYSA-N 323.337 2.644 0 40 DFAB Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(C2CC2)n1 69616009 UVKIWFWWDXFROZ-UHFFFAOYSA-N 314.433 2.501 0 40 DFAB CCCCCNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5529005 UAQMCMSCRMUCHN-XJKSGUPXSA-N 304.415 2.563 0 40 DFAB CC[C@H](NC(=O)NC1(C)Cc2ccccc2C1)c1noc(C)n1 92286409 NLWSLZOQGPFCLD-AWEZNQCLSA-N 314.389 2.686 0 40 DFAB CCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 6759675 FAKSLANWEKLGIV-HNNXBMFYSA-N 302.374 2.860 0 40 DFAB CC(=O)c1csc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 15201299 ZNRWFMGBRIOAKC-GFCCVEGCSA-N 322.773 2.941 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2nc(C)no2)c(C)c1 69872260 AADDQGPKHCZSTO-LBPRGKRZSA-N 302.378 2.864 0 40 DFAB Cc1ccc(N2CCC[C@H](Nc3cnc4ccccc4n3)C2)nn1 69842891 AKISCVYAWPVGOX-AWEZNQCLSA-N 320.400 2.809 0 40 DFAB C[C@H](OC(=O)c1ccsc1)c1nc2ccccc2c(=O)[nH]1 7136358 WDTXVAKMJZIRMO-VIFPVBQESA-N 300.339 2.903 0 40 DFAB COCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 8726166 WZVGKVNZQYVFPP-UHFFFAOYSA-N 324.380 2.978 0 40 DFAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c(F)c1 15602069 UEOHEKRBSUGHEN-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB C[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C 7486488 XNOUURWFZKUXCU-CYBMUJFWSA-N 315.417 2.625 0 40 DFAB Cc1c(CSc2nnnn2C)noc1-c1ccc(F)cc1 7495403 XEFAKVADQLAHBR-UHFFFAOYSA-N 305.338 2.605 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(N)=O 8734828 DTJRGYLJNAYDDM-NSHDSACASA-N 303.189 2.623 0 40 DFAB CCC[C@@H](C)NS(=O)(=O)c1cccc(Br)c1 16093417 UNAFXJVTBWWYSY-SECBINFHSA-N 306.225 2.916 0 40 DFAB COc1ccccc1C[C@H](C)N(C)C(=O)c1cccnc1OC 80995410 OAKSSTYOLURQKC-ZDUSSCGKSA-N 314.385 2.802 0 40 DFAB COc1ccc(C(=O)NCc2ccccn2)cc1Br 8073344 NQMYJKJRSKAHHH-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB O=C(OCc1nc(-c2ccccc2Cl)no1)c1cnccn1 8293207 GLLWQLDNBNFDMG-UHFFFAOYSA-N 316.704 2.537 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2ccsc2)c1 70012169 VLSODKSOJIMGBF-HNNXBMFYSA-N 303.431 2.877 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)c1 71185419 TZQBUATZXTVBEO-CYBMUJFWSA-N 300.362 2.534 0 40 DFAB CCCCc1nnc(SCC(=O)NCc2ccco2)n1CC 408561025 VNHIRFZKYRMTHY-UHFFFAOYSA-N 322.434 2.642 0 40 DFAB CC(=O)NC(C)(C)c1noc(/C=C/c2c(F)cccc2F)n1 72549680 AABCOKHSBVWAEQ-BQYQJAHWSA-N 307.300 2.889 0 40 DFAB C[C@@H](NC(=O)C1=COCCO1)c1cccc(C(F)(F)F)c1 9484279 XVFVMAYZMZDSHR-SECBINFHSA-N 301.264 2.771 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)NCCCN(C)c1ccccc1 71798673 ZZYGEGXJTFVHJO-UHFFFAOYSA-N 301.394 2.675 0 40 DFAB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CC(N)=O)cc1 96407164 NTWIYYPKSKLLLW-DVOMOZLQSA-N 318.417 2.637 0 40 DFAB O=C(Nc1ccncc1)[C@@H]1CCCCN1C(=O)c1ccccc1 71847316 FBYIYNYYFIJHHJ-INIZCTEOSA-N 309.369 2.715 0 40 DFAB O=C1NCCCC[C@@H]1NCc1csc(-c2ccsc2)n1 71825204 XPWFOHSMJAIEMJ-LBPRGKRZSA-N 307.444 2.630 0 40 DFAB CCn1nc(C)cc1C(=O)N1CCC[C@H](N2CCCCCC2)C1 71886538 DJIHPVUIRKWSJP-INIZCTEOSA-N 318.465 2.692 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 84735484 UKOCDRLJNQPKIE-CYBMUJFWSA-N 302.374 2.812 0 40 DFAB CCOCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 71921048 ZESNKGBMERWLHO-UHFFFAOYSA-N 324.377 2.506 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1 9689976 HEBLWHMAWKEKOH-UHFFFAOYSA-N 307.415 2.710 0 40 DFAB COC(=O)[C@@H](C)N(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 73617757 ASQZNPDSQPRYAL-MRVPVSSYSA-N 320.370 2.656 0 40 DFAB Cn1cc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 95994170 ICFRXDPSUVVSNC-LBPRGKRZSA-N 308.788 2.581 0 40 DFAB O=C(Nc1c(F)cccc1NC1CC1)c1nccn2ccnc12 89768181 UAZDSGDZWMSDNO-UHFFFAOYSA-N 311.320 2.695 0 40 DFAB c1csc(-c2nc(CN3CCC[C@H](N4CCCC4)C3)no2)c1 89800070 DJZMLZSPAOZEQI-ZDUSSCGKSA-N 318.446 2.858 0 40 DFAB O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408669757 RYDBHMRFTKAERM-HIDABVQQSA-N 307.349 2.976 0 40 DFAB Cc1nnc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)s1 185483201 YLLGNROEDQJHJD-ZDUSSCGKSA-N 302.403 2.563 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cccc(NCC2CCOCC2)n1 72365448 BDNKUDJMZRWRNB-MRXNPFEDSA-N 303.406 2.604 0 40 DFAB CSC[C@@H](CCO)Nc1nc(-c2cccnc2)nc(C)c1C 78301693 YYQFFCZYGXSKQP-CQSZACIVSA-N 318.446 2.681 0 40 DFAB FC(F)(F)c1ccc(-c2nsc(N3CCNCC3)n2)cc1 216642624 UOPOJGTTWRRLHU-UHFFFAOYSA-N 314.336 2.634 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2)[C@H]1c1ccc(F)cc1 72242168 RFEYSSDRXNMJEP-DOTOQJQBSA-N 312.344 2.984 0 40 DFAB O=C(CCc1ccsc1)NC[C@H](O)c1c(F)cccc1F 77634336 WPHRDKHYRWHSKF-ZDUSSCGKSA-N 311.353 2.809 0 40 DFAB Cc1ccc(CCCC(=O)NCc2nc(C(=O)O)cs2)s1 181863653 BDOPDALEJIWASR-UHFFFAOYSA-N 324.427 2.850 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)COc2ccccc2)C1 47416244 UDARPGDEXOFNJE-HOTGVXAUSA-N 304.434 2.550 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cn1 80634799 BYQRYPVYTBHQDI-ZDUSSCGKSA-N 324.388 2.971 0 40 DFAB COc1cccc(COC(=O)c2ccc(-n3ccnc3)nc2)c1 191377216 CTTJFBOQVQLNOW-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB COc1c(NC(=O)c2sc(CC3CC3)nc2C)c(C)nn1C 225603547 PSHYAJQBCKSBFI-UHFFFAOYSA-N 320.418 2.707 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(F)c1F 143588174 OVMNRTGXXYWGCW-SNVBAGLBSA-N 315.316 2.875 0 40 DFAB C[C@H](c1cncs1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12 91382058 FQJADGHBOPLZBK-SNVBAGLBSA-N 313.382 2.818 0 40 DFAB O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCn1cccc1 96449887 HBJSIPBPZCCDPB-UHFFFAOYSA-N 301.777 2.982 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3ccc(C)s3)CC2)CO1 96105829 KTTAQDKXNUQPCC-ZDUSSCGKSA-N 309.431 2.714 0 40 DFAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)n2cncn2)o1 96433276 RXKBHKQZSLLYCY-GUTXKFCHSA-N 316.405 2.994 0 40 DFAB O=C(c1ccc(I)c(F)c1)N1CCCC1 96404115 LRZFGKDKYOEGTE-UHFFFAOYSA-N 319.117 2.666 0 40 DFAB O=C1CCCN1[C@@H]1CCCN(CCSc2ccccc2)C1 96410340 ZEEWNHUBDPTJNM-OAHLLOKOSA-N 304.459 2.866 0 40 DFAB Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(Cc3ccc(C)s3)C2)o1 96065654 SKTKCJLNYOPESI-NWANDNLSSA-N 319.430 2.895 0 40 DFAB NC(=O)NCCCOC(=O)c1sccc1-c1ccccc1 96442285 KDMPPMWLDPPRCQ-UHFFFAOYSA-N 304.371 2.630 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 257240580 HUEPCRMKAOUCER-INIZCTEOSA-N 322.412 2.914 0 40 DFAB COC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1c(O)cccc1OC2(C)C 257338708 YYPILMUOEVJPFG-GDLVEWKHSA-N 306.358 2.963 0 40 DFAB c1cncc(CN2CCC[C@H]2c2cncc(-c3ncc[nH]3)n2)c1 257235999 HAKQJINFKPNLMP-INIZCTEOSA-N 306.373 2.599 0 40 DFAB Cc1cnccc1CN1CCC[C@@H]1c1cncc(CN(C)C)n1 257329598 XKRQMJPLKRITJX-GOSISDBHSA-N 311.433 2.579 0 40 DFAB O=C1c2ccccc2CCN1C1CCN(Cc2ccncc2)CC1 257270401 MUBUPYLUBOSEAC-UHFFFAOYSA-N 321.424 2.745 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1C 257291884 QJAVPIHAYDXZDA-WBVHZDCISA-N 300.402 2.573 0 40 DFAB CC1(C)COc2c(C(=O)N[C@H]3CCC[C@@H](CO)C3)cccc21 298543308 YDMRQTWDPISSEP-OLZOCXBDSA-N 303.402 2.638 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1 57383229 HYGDAGSHRJDCRJ-QGZVFWFLSA-N 323.440 2.514 0 40 DFAB Cc1cccc2cc(C(=O)N3CCC(c4nncn4C)CC3)oc12 69454653 CWNVWYWOPFOJIT-UHFFFAOYSA-N 324.384 2.890 0 40 DFAB O=C(NCC1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1 96446857 YSKRVBFCBIRHFA-UHFFFAOYSA-N 314.385 2.831 0 40 DFAB CCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 5625348 HZQYMYJSVGMOAY-UHFFFAOYSA-N 313.401 2.994 0 40 DFAB Cc1cnc(-c2nc(NC3CC3)ncc2-c2cc(C)no2)cn1 12154453 ALFQAEHVWKIEHM-UHFFFAOYSA-N 308.345 2.780 0 40 DFAB COc1ccc(-c2nnc(SCc3ccon3)n2C)cc1 12427827 ZOOPGVGYTQCTIF-UHFFFAOYSA-N 302.359 2.771 0 40 DFAB NC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)c2ccccc12 16777376 HQRKDQQOYHQNTR-UHFFFAOYSA-N 313.744 2.664 0 40 DFAB Cc1noc(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 49482387 DTHJNZHYZDLNKP-UHFFFAOYSA-N 311.263 2.636 0 40 DFAB O=C([C@H]1CCCN1C(=O)Oc1ccccc1)N1CCCCC1 6241303 QUTSFNADYRWMLL-OAHLLOKOSA-N 302.374 2.662 0 40 DFAB CCOc1ccccc1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342543 WAQGVPLPGIFEJY-XFXZXTDPSA-N 319.386 2.984 0 40 DFAB CCOc1ccc(NC(=O)COc2ccccc2C)c(N)c1 226358739 BESLXVWAHHEPLZ-UHFFFAOYSA-N 300.358 2.993 0 40 DFAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cccc(Cl)c1 575605925 IBRZZTIOJDBKHJ-INIZCTEOSA-N 322.836 2.571 0 40 DFAB Clc1cnccc1OCC1CCN(c2nncs2)CC1 1889085107 YBGNETVAVBVZCE-UHFFFAOYSA-N 310.810 2.882 0 40 DFAB CC(C)C[C@H](CN)CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 585141558 XHIWYSCXPHQACJ-ROUUACIJSA-N 318.461 2.815 0 40 DFAB COC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)OC(C)(C)C 698514198 KILPQIZOTUVZHP-LBPRGKRZSA-N 315.316 2.574 0 40 DFAB CC1CC(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)C1 1565552938 DXPRSXDZLYGUGS-UHFFFAOYSA-N 322.412 2.512 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)C3(F)CCC3)C[C@@H]21 1565544336 INMURMSLVUPSOM-DGCLKSJQSA-N 303.381 2.590 0 40 DFAB Cc1cc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2cc1C 427760 MGUIZKFLGJNZPD-UHFFFAOYSA-N 310.353 2.710 0 40 DFAB Cc1ccc2c(c1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O2 8961264 KPNMHBVHLVGRQO-UHFFFAOYSA-N 318.354 2.725 0 40 DFAB CC(C)N(C)C[C@H]1CCC2(CCN(C(=O)C3CC3)CC2)CO1 2055835354 JXUXTHCZIQQPIN-MRXNPFEDSA-N 308.466 2.524 0 40 DFAB CC(C)CC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2)C1=O 25224334 NLZIDFPDDVWQHL-WMLDXEAASA-N 322.380 2.606 0 40 DFAB CCc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 26842424 BYKVVDDMDWNMPR-UVTDQMKNSA-N 323.377 2.521 0 40 DFAB C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 40162034 KPFANIGCVFWBCA-ZBFHGGJFSA-N 314.429 2.697 0 40 DFAB O=c1/c(=C/c2ccccc2F)sc2nc(-c3ccccc3)nn12 199537 HBBIQPJQGCJEMC-UVTDQMKNSA-N 323.352 2.505 0 40 DFAB COc1ccccc1CNC(=O)c1nc(-c2cccs2)no1 20717126 UZZSPEFIAPRNJI-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB O[C@@H](CN(Cc1ccccc1)C[C@H]1CCOC1)c1ccco1 84134901 RLWPTHGUYRIWBI-SJORKVTESA-N 301.386 2.852 0 40 DFAB O=C(NC[C@@H](O)C1CCCC1)[C@@H]1SCCc2ccccc21 76083284 XOVGXZCVHSEZNH-HZPDHXFCSA-N 305.443 2.684 0 40 DFAB COc1ccc(NC(=S)NC[C@H]2CCCO2)cc1Cl 6329464 DZNZDXPDPLPYDX-SNVBAGLBSA-N 300.811 2.814 0 40 DFAB C[C@@H](NCC(=O)NCc1cccnc1)c1ccc(F)c(Cl)c1 97033151 ONFYNHZFKXCUDU-LLVKDONJSA-N 321.783 2.841 0 40 DFAB CC1(C)C(c2ccccn2)=[N+]([O-])[C@@H](c2ccc(F)cc2)N1O 509487 AQLGECMUGBBNKT-OAHLLOKOSA-N 301.321 2.702 0 40 DFAB C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1cccc(F)c1 41626338 PLNZTARCLSOKOW-ZDUSSCGKSA-N 311.364 2.994 0 40 DFAB CCOC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 53399143 WJOKNASUGGYHGQ-CQSZACIVSA-N 305.374 2.548 0 40 DFAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nncs1 97048842 XJEYTCALOZCHCM-UHFFFAOYSA-N 324.214 2.787 0 40 DFAB Cc1noc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)n1 54676122 MFFNOEHOJAVIFW-SECBINFHSA-N 313.283 2.571 0 40 DFAB O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccccn1 47620752 HHJBXCXTHHAVSE-UHFFFAOYSA-N 300.339 2.711 0 40 DFAB CN(C)c1nc(C[S@](=O)C/C=C/c2ccccc2)ns1 97080186 RFJGETFZOQKLDH-ZGBFETHSSA-N 307.444 2.566 0 40 DFAB C[C@H](C1CC1)N(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 25060770 YUCDVTSXLQKPLC-SECBINFHSA-N 303.431 2.704 0 40 DFAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 25253106 CINSPJCBQFJDHX-CYBMUJFWSA-N 324.359 2.957 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N(C)C[C@H]2CCCOC2)n1 107065069 JIOFISSKFPLZAG-LLVKDONJSA-N 311.813 2.752 0 40 DFAB O=C(NCc1ccco1)Nc1cccc(CN2CCOC2=O)c1 47958472 IDKYEFZMOFBTPD-UHFFFAOYSA-N 315.329 2.554 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 25420584 HBZKKQLTRLHAFV-SFHVURJKSA-N 311.429 2.785 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1ccncc1 3276179 IAPQLRVKMCIWGC-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB CCCCCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 57053871 OKPUOHOLXVXZCM-UHFFFAOYSA-N 303.450 2.953 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 3220297 QTMQYACAPAELBI-LDYMZIIASA-N 316.184 2.809 0 40 DFAB Cc1ccccc1[C@@H](O)CNC(=O)NCc1sccc1C 72281206 PGMGWVUAPXAWNQ-AWEZNQCLSA-N 304.415 2.898 0 40 DFAB CCNC(=O)[C@@H]1CCCN(Cc2csc(C(C)(C)C)n2)C1 57866121 YVCKWRZCJXKEIY-GFCCVEGCSA-N 309.479 2.789 0 40 DFAB COc1cccc(C2=CCN(c3ncnc4[nH]cnc34)CC2)c1 58193651 NNPBJIHSWIEMLD-UHFFFAOYSA-N 307.357 2.655 0 40 DFAB CC(C)[C@@H](C(=O)N[C@H](C)C1CC1)N1CCc2ccccc2C1 48290706 SDPVAZFLPDCUBI-KDOFPFPSSA-N 300.446 2.984 0 40 DFAB CN(C)c1cccc(C(=O)NCCn2cnc3ccccc32)c1 58182187 VZSOUIMCVRBICK-UHFFFAOYSA-N 308.385 2.532 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 118930987 ACXNWFRSEGWJGF-HCDQPFODSA-N 306.446 2.930 0 40 DFAB CCOc1ccc2c(c1)CN(C(=O)NCc1ccccn1)CC2 58219124 UXAXPHKXZKMFLK-UHFFFAOYSA-N 311.385 2.748 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H]1CCCO1 44951670 ZGKGSOOJTMTJMF-UKRRQHHQSA-N 318.421 2.761 0 40 DFAB CCc1sc(C(=O)N2CCC[C@H](c3nncn3C)C2)cc1C 44934726 XGLGIBLBQRENMO-LBPRGKRZSA-N 318.446 2.767 0 40 DFAB CN(C)CCN(CCCc1ccccc1)C(=O)c1cccnc1 58305432 UAGHPJJATNUIKC-UHFFFAOYSA-N 311.429 2.718 0 40 DFAB CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)O 2407747 ZXLLYHLDVWBPIX-JTQLQIEISA-N 302.783 2.668 0 40 DFAB biogenic CC(=O)Nc1cccc(CNC(=O)N(C)Cc2ccccc2)c1 45619317 HSDMXQPJVUPYEY-UHFFFAOYSA-N 311.385 2.987 0 40 DFAB CCN(C(=O)Cn1cc(Br)cn1)C1CCCCC1 59352426 FJXLCXWHQCAOLS-UHFFFAOYSA-N 314.227 2.827 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)Cc1cccs1 12816273 RPSMNTBPBLTBHV-UHFFFAOYSA-N 314.366 2.872 0 40 DFAB Cc1nc2ccccc2nc1N1CCN(c2nccs2)CC1 29434643 YFMINKXHZCXQOY-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB COc1cccc(-c2nc(C(=O)NC(C)C)cs2)c1OC 12822970 LIXRAQOFYAQBIG-UHFFFAOYSA-N 306.387 2.966 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 3554110 UGFKWQXEIRDLDO-UHFFFAOYSA-N 309.774 2.996 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1coc2cc(C)ccc12 12919392 VGIJWYKNTIIVMX-OAHLLOKOSA-N 317.385 2.988 0 40 DFAB COc1ccc(CCNC(=O)c2cccc(F)c2)cc1OC 3614691 XFZPFXBCEIIELC-UHFFFAOYSA-N 303.333 2.815 0 40 DFAB CCOc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 3607893 JOYOXPCZNSIWLG-UHFFFAOYSA-N 312.369 2.844 0 40 DFAB CC[C@@H](C)CS(=O)(=O)N(Cc1ccccn1)c1ccncc1 92253255 DBEUUMMOEKWQOS-CQSZACIVSA-N 319.430 2.859 0 40 DFAB O=C(CN1CCO[C@H]2CCCC[C@@H]21)N(C1CCCC1)C1CC1 70693889 QNOGGHSRJYCDFG-IRXDYDNUSA-N 306.450 2.563 0 40 DFAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc[nH]1 64300314 QFSCAQUJHWVIFU-UHFFFAOYSA-N 303.325 2.977 0 40 DFAB C[C@@H]1C(=O)N(CC(F)(F)C(F)F)C(=O)N1c1ccc(F)cc1 69738102 LUBZNNMLUAPJIC-SSDOTTSWSA-N 322.233 2.883 0 40 DFAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)O 13769220 ZYALOEVGEPBFDO-UFBFGSQYSA-N 314.769 2.969 0 40 DFAB CC(=O)NCCC(=O)NCc1ccccc1Oc1ccccc1 65585495 NLDBSKPZDOWLPG-UHFFFAOYSA-N 312.369 2.621 0 40 DFAB Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cnn1C(C)C 92312358 OPVDTBYAJFXXAZ-UHFFFAOYSA-N 319.312 2.895 0 40 DFAB CCN1CCC[C@@H](CNC(=O)NC[C@@H](C)c2nc(C)cs2)C1 96013848 NZHWTHDFAIRJHE-OCCSQVGLSA-N 324.494 2.586 0 40 DFAB CO[C@H]1CCCC[C@H]1NC1CCN(CCC(F)(F)F)CC1 96003175 LTRAHJNRDMFPSZ-KGLIPLIRSA-N 308.388 2.950 0 40 DFAB CC(C)c1cc(NC[C@@](C)(O)c2cnn(C)c2)nc(C(C)C)n1 90094884 ZTHDUCIWJZMLIY-QGZVFWFLSA-N 317.437 2.777 0 40 DFAB COc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1F 90367815 IHBMXAQEHWJSGX-UHFFFAOYSA-N 319.336 2.725 0 40 DFAB COc1ccccc1OCC(=O)Nc1onc2c1C[C@@H](C)CC2 9302803 DPNUBCJBDLPURF-NSHDSACASA-N 316.357 2.826 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccc(F)cc2)C1 16082891 VRCJPGMBINFMCH-CHWSQXEVSA-N 309.337 2.861 0 40 DFAB COC[C@@H](C)C(=O)NC1CCN(c2cc(C)ccc2F)CC1 97163958 XFPDGBXHPNYDQN-CYBMUJFWSA-N 308.397 2.502 0 40 DFAB Cn1nccc1CCNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 97140459 HTTFQRCYVPJYKC-WMLDXEAASA-N 324.428 2.827 0 40 DFAB COC(=O)CCN(C(=O)c1cc(C)on1)c1ccccc1C 97139713 PUBVFTDPTAWWFA-UHFFFAOYSA-N 302.330 2.501 0 40 DFAB Cc1ccc2ncc(CNc3ccc4c(c3)OCC(=O)N4)n2c1 97113783 PVAVIQXVCGUBTC-UHFFFAOYSA-N 308.341 2.586 0 40 DFAB Cc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccccc3)c2N)cc1 9547420 KEOMDVLKKKOPDE-CYBMUJFWSA-N 321.384 2.649 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1F 71858953 YZMHTKQBEVYBBB-DMZKTXOQSA-N 319.401 2.779 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 71839341 NAGKVGZWGZMMKB-LLVKDONJSA-N 318.373 2.502 0 40 DFAB Cc1cc([C@H](C)NC(=O)NCCC2(C)OCCO2)c(C)s1 97115767 DCXFOAQRMNWRTJ-NSHDSACASA-N 312.435 2.878 0 40 DFAB CC(C)N(Cc1cnn(C)c1)Cc1nnc(-c2cccs2)o1 71910848 DPYVWTCUVFDIOE-UHFFFAOYSA-N 317.418 2.942 0 40 DFAB c1ccc(CSC[C@@H]2CN=C(N3CCOCC3)S2)cc1 97212506 UWTDWBSMYLQDBF-AWEZNQCLSA-N 308.472 2.723 0 40 DFAB Cc1cc(=O)c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c[nH]1 72885307 PXHGISJGFPXAQE-UHFFFAOYSA-N 314.429 2.972 0 40 DFAB Cc1cnc([C@@H](C)NC(=O)c2cc(-c3cccs3)n[nH]2)o1 95466434 IRNHKVORHIPSOU-SECBINFHSA-N 302.359 2.926 0 40 DFAB COc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1CO 95447850 IGXLUCPVXFHLKU-UHFFFAOYSA-N 307.296 2.647 0 40 DFAB CNC(=O)c1cccc(NCc2ccccc2COC(C)C)n1 95401991 ZMEOUWQPXBGWKE-UHFFFAOYSA-N 313.401 2.978 0 40 DFAB O=C1N[C@@H](C(=O)N[C@@H](c2cc3ccccc3o2)C2CC2)CS1 73566625 JLJJIBZAYGQOKI-BXUZGUMPSA-N 316.382 2.825 0 40 DFAB Cc1cc(C)cc(NC(=O)CN[C@H]2CCCCC[C@@H]2CO)c1 95941486 NZABDFMYXXSCAA-WBVHZDCISA-N 304.434 2.773 0 40 DFAB CCc1cccc(NC(=O)CN2CC[C@@H]3[C@H](CCCN3C)C2)c1 89289530 VQTGMRNKIKUBTB-SJLPKXTDSA-N 315.461 2.604 0 40 DFAB CN(CCc1nccs1)C(=O)C1=NO[C@@H](c2ccccc2)C1 89346514 ZDZOBCPBYFSVHQ-CQSZACIVSA-N 315.398 2.662 0 40 DFAB CN(Cc1cccc(C(F)(F)F)c1)Cc1nnnn1C1CC1 89361504 OJLDVGUFDHXXLG-UHFFFAOYSA-N 311.311 2.659 0 40 DFAB C[C@@]1(c2ccccc2)CCCN(Cc2cc(=O)n3nccc3[nH]2)C1 75138218 ULCBCUUPGLFWOA-LJQANCHMSA-N 322.412 2.576 0 40 DFAB C[C@@H]1C[C@H](NC[C@@H](c2ccco2)N2CCCC2)CN1C1CC1 75110876 LVJHWRDJJGFDJF-VYDXJSESSA-N 303.450 2.631 0 40 DFAB CC[C@H]1CCCCCN1C(=O)NCc1nnc2n1CCCCC2 89948278 MBEBGBRJFXWSND-AWEZNQCLSA-N 319.453 2.869 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C)ccn1 21596266 PIOYLAIEKSWAHO-UHFFFAOYSA-N 315.398 2.834 0 40 DFAB O=C([C@H]1COc2ccccc21)N1CCC[C@H](c2ccncc2)C1 552033424 AONVCZJHBIGZCT-RDJZCZTQSA-N 308.381 2.964 0 40 DFAB CCOC(=O)N[C@@H](CC(=O)Nc1nccs1)c1ccccc1 408981710 WGBVTDBWPLDZQS-LBPRGKRZSA-N 319.386 2.959 0 40 DFAB C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@H]1CCCO1 78611660 FGLDDGXNGRZWDV-XHDPSFHLSA-N 318.352 2.700 0 40 DFAB O=C1N[C@@H]2CCCC[C@H]2C[C@H]1Sc1nc(O)cc(C2CC2)n1 522117919 VQNOXMNWIVPBPS-DMDPSCGWSA-N 319.430 2.599 0 40 DFAB CCCCN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 72216588 RNROYLRIJJUMSG-KRWDZBQOSA-N 302.466 2.770 0 40 DFAB CC(C)c1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCCO2)on1 35511490 DPSOZNIJVHOEAB-GXTWGEPZSA-N 307.394 2.824 0 40 DFAB CN(CC(=O)Nc1cccnc1)c1nc2c(F)cccc2s1 70973648 IJHLGQBYGJLSET-UHFFFAOYSA-N 316.361 2.905 0 40 DFAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2cccnc2)n1 72322149 FTOUDFDSTPOQCL-AWEZNQCLSA-N 300.406 2.676 0 40 DFAB biogenic,in-vitro CCC1(CC)CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)C1 566063678 HEFSIUVDKUSHJT-UHFFFAOYSA-N 312.417 2.849 0 40 DFAB CN(C(=O)Cc1csc2ccc(Cl)cc12)[C@@H]1CCNC1 562976239 IVPGNWSPLZIBQI-GFCCVEGCSA-N 308.834 2.918 0 40 DFAB Cc1cc(N2CCN(c3nccc4sccc34)CC2)ncn1 341082275 LZKQHEWUTIWNGS-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB Cc1cccc2c1CC[C@@H]2NC(=O)CCOC1CCOCC1 195536836 BKPYKHGSTQWKDP-KRWDZBQOSA-N 303.402 2.684 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1C 223914377 NSVASSMEIAILFL-MCIONIFRSA-N 309.431 2.779 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C1 227154493 XOKBTMNGVFVFFE-YVEFUNNKSA-N 304.365 2.967 0 40 DFAB Cn1c(Cl)nc2ccc(C(=O)NCc3cccnc3)cc21 222541717 ZKJFFCHIOFCARD-UHFFFAOYSA-N 300.749 2.552 0 40 DFAB CCn1cc(C(=O)NC[C@@](C)(O)c2ccccc2)c(C(C)C)n1 96455668 RYFSTLKQAZYHAD-GOSISDBHSA-N 315.417 2.664 0 40 DFAB O=C(Nc1cccs1)Nc1nc2c(s1)C(=O)NCCC2 96124412 NXSNSEZAQUILOU-UHFFFAOYSA-N 308.388 2.525 0 40 DFAB Cc1ccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)s1 96200891 GUWKARGZHUTUGR-SJORKVTESA-N 318.490 2.537 0 40 DFAB C[C@@H](CNCc1ncc[nH]1)Oc1ccccc1Br 96452782 DBXOQYXCXKXSCQ-JTQLQIEISA-N 310.195 2.729 0 40 DFAB CN(C)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96146327 BLOINRRQWAQKRH-UHFFFAOYSA-N 319.368 2.614 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)nn1C 96182951 CTQGXTSLSPLRJQ-UHFFFAOYSA-N 312.373 2.601 0 40 DFAB CC[C@H](CSC)N(C)Cc1nc2ccccc2c(=O)n1C 96493132 CRZGXTDKEZLOIY-GFCCVEGCSA-N 305.447 2.507 0 40 DFAB C[C@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1cccs1 96440655 HCIHFPXLEDSVEN-IAQYHMDHSA-N 308.403 2.652 0 40 DFAB c1cncc(O[C@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)c1 96048238 DSOSNTRTQXYLJG-MSOLQXFVSA-N 314.385 2.877 0 40 DFAB CN1CC[C@@H](Sc2nnc(-c3ccc(Cl)s3)o2)C1=O 96422245 VIWJGBQAEGPRBW-SSDOTTSWSA-N 315.807 2.774 0 40 DFAB Cc1cc(OCC(=O)NCC2(c3cccc(Cl)c3)CC2)no1 96416717 MFPYRUFUUIOGLZ-UHFFFAOYSA-N 320.776 2.863 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O 248736883 QBUNOJORVRTXGP-NILFDRSVSA-N 322.453 2.610 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 43567341 BEABQICWYWTMNI-UHFFFAOYSA-N 307.243 2.526 0 40 DFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2ncc[nH]2)n1 257236102 HATYEKKCYALNRJ-AWEZNQCLSA-N 324.388 2.809 0 40 DFAB 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UVPNFHKHGMVBMX-MDWZMJQESA-N 309.431 2.784 0 40 DFAB CCCCCS(=O)(=O)NC1CCN(c2ccccc2)CC1 95939935 LSOHWMZACMQFTK-UHFFFAOYSA-N 310.463 2.765 0 40 DFAB CC(=O)N[C@H](C)C1CN(Cc2nc(C(C)(C)C)cs2)C1 97336193 RVMMMQNQIDUHMO-UHFFFAOYSA-N 295.452 2.397 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 104653618 FRJBBBSYXLEGPR-MNXVOIDGSA-N 314.385 2.572 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1cc(F)cc(F)c1 1772714772 SWDGICALKIJRTD-LBPRGKRZSA-N 315.316 2.875 0 40 DFAB Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3c1nnn[nH]1 12375052 SLJHJUQLAZYSSV-VIFPVBQESA-N 318.178 2.912 0 40 DFAB CC(=O)c1cccc(NC(=O)COc2cccc(C(=O)O)c2)c1 13418709 HAEOQPVVDQBMPQ-UHFFFAOYSA-N 313.309 2.605 0 40 DFAB Cc1ccc(C)c(C(=O)N2C[C@H](C(=O)O)Oc3ccccc32)c1 13435142 SRJLPAOJZXXPGS-MRXNPFEDSA-N 311.337 2.796 0 40 DFAB COc1ccccc1C[C@H](C)NC(=O)c1ccnn1C(C)C 12196633 CWBFWCBUGHMIJZ-ZDUSSCGKSA-N 301.390 2.834 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)N1CCCCC1 3228084 GOSZJKGYMAENBZ-RMKNXTFCSA-N 307.777 2.909 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCCO2 16099545 LDRKBRXIUGXVCU-DHZHZOJOSA-N 317.366 2.870 0 40 DFAB CN(Cc1nccn1C(F)F)C(=O)Cc1c[nH]c2ccccc12 31151692 GJVXFAKXVLIHQX-UHFFFAOYSA-N 318.327 2.961 0 40 DFAB OCC[C@@H](Nc1ncncc1Br)C1CCCCC1 268474667 MYEIHXNQTCMRQW-GFCCVEGCSA-N 314.227 2.982 0 40 DFAB COC(=O)[C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 208571150 HRILMARPRGMJSD-CQSZACIVSA-N 303.358 2.598 0 40 DFAB Fc1cccnc1N1C[C@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 2086866202 RKPPPOCRWZULIT-BETUJISGSA-N 324.359 2.935 0 40 DFAB C[C@@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)n1cnc2ccccc21 30600414 VUUPGUCEKHGCDN-JTQLQIEISA-N 322.324 2.671 0 40 DFAB Cc1nc(-c2cccc(OCc3ccc(C(N)=O)cc3)c2)no1 40538768 HFCIAAGUCHXAOJ-UHFFFAOYSA-N 309.325 2.723 0 40 DFAB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 101040114 JKDMOPUAHRXGLM-QIAWRQBBSA-N 310.309 2.598 0 40 DFAB C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(F)c(F)c1 101383643 SKIFWDAVKPDXLI-OCCSQVGLSA-N 321.371 2.682 0 40 DFAB COc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 32579253 QIUBJVNTKYKXKC-CQDKDKBSSA-N 305.374 2.763 0 40 DFAB Cc1ccc(C)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 196305 GXBUYTGGHJQBDB-UHFFFAOYSA-N 322.364 2.928 0 40 DFAB N=c1n(CC(=O)O)c2ccccc2n1Cc1ccccc1Cl 274835 BACAQWRVOHGIAW-UHFFFAOYSA-N 315.760 2.709 0 40 DFAB C1C[C@@H](c2noc(C3CC3)n2)N(Cc2nc(C3CC3)no2)C1 76047509 MGKHAPREGOAKKB-NSHDSACASA-N 301.350 2.545 0 40 DFAB O=C(O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1 78517736 YRTSTBQHZIMFBW-UHFFFAOYSA-N 305.280 2.636 0 40 DFAB COc1ccc(-c2ccc(CNC(=O)N[C@H](C)CO)cc2)cc1 78953321 HVFAEXHYZWMDNS-CYBMUJFWSA-N 314.385 2.542 0 40 DFAB NC(=O)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1 3484067 FQLSHYPOVPHVOM-UHFFFAOYSA-N 320.348 2.956 0 40 DFAB CCCCNC(=O)CSc1nnc(C)n1-c1ccccc1 6109244 CKJRFVQGTMTHHX-UHFFFAOYSA-N 304.419 2.584 0 40 DFAB CCc1nnc(S/C(=C\c2cccc(OC)c2O)C(=O)O)o1 7603371 GHLLHMACNJVWKD-YFHOEESVSA-N 322.342 2.564 0 40 DFAB NC(=S)Nc1ccc(Oc2ccc(NC(N)=S)cc2)cc1 8578367 GPAHOGJQSCYIOZ-UHFFFAOYSA-N 318.427 2.790 0 40 DFAB aggregator COc1ccc([C@@H]2OCCN2C2C[C@H]3CC[C@H](C2)N3C)cc1 100925506 BAFOXNWKCVEVEK-RKVPGOIHSA-N 302.418 2.651 0 40 DFAB CCCCS(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 53644859 RSCXEKORWHDWKB-MRXNPFEDSA-N 304.415 2.891 0 40 DFAB Cc1nc2ccc(C(=O)N[C@H](C)c3cnn(C)c3C)cc2nc1C 47491628 ARKKUMWJPDWEIX-GFCCVEGCSA-N 323.400 2.780 0 40 DFAB O=C(NCc1cccs1)C(=O)Nc1ccc(Cl)cc1F 9993245 AVWBJEWYQXOBRB-UHFFFAOYSA-N 312.753 2.796 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2n1 69917463 NRWPIHYEEAKONG-CYBMUJFWSA-N 310.357 2.810 0 40 DFAB C[C@@H](NCc1nc(-c2cccs2)no1)[C@@H](C)n1cccn1 69951354 JLFARXNTMPBITO-GHMZBOCLSA-N 303.391 2.734 0 40 DFAB CC(=O)N1CCC(C(=O)N[C@H](c2cccs2)C(C)C)CC1 24318361 ODGRXUSYUTWUKZ-HNNXBMFYSA-N 308.447 2.820 0 40 DFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC=CCC2)c1 25054031 LHCMMLGYYNNOBU-OLZOCXBDSA-N 303.358 2.922 0 40 DFAB O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCCC[C@@H]1C(=O)O 97018356 HFCFUVMMBUAYDK-GXTWGEPZSA-N 311.328 2.657 0 40 DFAB O=C(C=C1CCCCC1)N1CCC(c2nnc3n2CCC3)CC1 56080254 WDAJDMWFFKEARG-UHFFFAOYSA-N 314.433 2.821 0 40 DFAB Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)n(C)n1 56081053 ZSAHYNDWZYYFQS-LBPRGKRZSA-N 324.425 2.606 0 40 DFAB CCN1CCN([C@@H]2CCN([C@H](C)CCc3ccccc3)C2)CC1 108348301 OYWBNEVZRPDTGU-UYAOXDASSA-N 315.505 2.720 0 40 DFAB CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(F)cc1 58232249 GYQFNGUZPFMLGJ-UHFFFAOYSA-N 318.377 2.625 0 40 DFAB Cc1cc2cc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)ccc2[nH]1 48236816 QEEOYCZNLVHOKN-LLVKDONJSA-N 311.341 2.826 0 40 DFAB COc1cccc(N2CCN(CC(=O)c3ccccc3)CC2)c1 67206344 ZYSAXRNRTRMHKV-UHFFFAOYSA-N 310.397 2.700 0 40 DFAB CNc1snc(C)c1C(=O)NCc1cccnc1OC(C)C 48262568 ZPHXFDXNGCOUEF-UHFFFAOYSA-N 320.418 2.605 0 40 DFAB Cc1cc2cc(NC(=O)[C@H](C)NC(=O)c3ccoc3)ccc2[nH]1 48236818 QEEOYCZNLVHOKN-NSHDSACASA-N 311.341 2.826 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)Cn1cccn1 44934075 MVGMHOLCMJOYFB-NSHDSACASA-N 323.828 2.516 0 40 DFAB COc1ccc(CNC(=O)c2sc(NC3CC3)nc2C)cc1 36358691 OEVCUHFOZDEDQX-UHFFFAOYSA-N 317.414 2.964 0 40 DFAB COc1ccc(NC(C)=O)c(NC(=O)c2cccnc2Cl)c1 72281772 GQCDSSVBGGMDOY-UHFFFAOYSA-N 319.748 2.954 0 40 DFAB O=C(C[C@H]1CCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72286008 VPUMQNBCWNDWIO-HZPDHXFCSA-N 310.401 2.562 0 40 DFAB C[C@@H]1CCc2c(C(=O)N(C)CC(=O)NC(C)(C)C)csc2C1 12790199 AHRCUPANSRZEDD-LLVKDONJSA-N 322.474 2.860 0 40 DFAB COc1ccc(NC(=O)N[C@H](C(=O)O)C(C)C)cc1Cl 2414199 PZHNYJRPCWLYDT-NSHDSACASA-N 300.742 2.579 0 40 DFAB CC(=O)c1cccc(OCc2cc(=O)n3ccc(C)cc3n2)c1 28855654 CBMJVBHIVKUNFI-UHFFFAOYSA-N 308.337 2.785 0 40 DFAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2 29253723 VDNYQBBUDDUCAB-JTQLQIEISA-N 320.343 2.774 0 40 DFAB Cc1noc([C@H](C)N2CCN([C@@H](C)c3cccc(F)c3)CC2)n1 69376305 FHJDPOGJIBPMOZ-STQMWFEESA-N 318.396 2.957 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCSCC1 97147398 BIUYEBALZAMSDE-NSHDSACASA-N 310.467 2.766 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 11761682 LGVONROWZZVLGU-UHFFFAOYSA-N 300.314 2.631 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C 8372933 CKQADESYDDUVSJ-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H](C)c1nccs1 110714018 VJMAKZCPQCUUTF-YNEHKIRRSA-N 311.451 2.846 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1scnc1C)c1ccc(C)cc1 48734597 HZVGYRFDWSLBET-CYBMUJFWSA-N 318.398 2.794 0 40 DFAB Cn1nccc1[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1 69441223 PKIGQZDWMQNWLH-HNNXBMFYSA-N 312.417 2.628 0 40 DFAB Cc1nc(C2(NCC(=O)N3CCCCC3)CCCCCC2)no1 63512293 CGUDIXDLKCGPRM-UHFFFAOYSA-N 320.437 2.530 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(Cl)s1 49347400 CSPJPMRVBZBTHR-WDEREUQCSA-N 317.838 2.992 0 40 DFAB CCc1ccc(CCC(=O)NCCc2nncn2C(C)C)cc1 69740639 RWOFPJDMMIOLGF-UHFFFAOYSA-N 314.433 2.713 0 40 DFAB COc1cccc([C@@H]2c3c(noc3C)C[C@](C)(O)[C@@H]2C(C)=O)c1 5274336 TYPCQOQQNFKMIN-KURKYZTESA-N 315.369 2.636 0 40 DFAB CC(=O)c1cc(C(=O)NCc2cc(-c3ccccc3)on2)n(C)c1 65538703 SXWIZKLUMROCRQ-UHFFFAOYSA-N 323.352 2.813 0 40 DFAB O=C(c1cnsn1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 65551571 XXQLXPHKBPLWBP-UHFFFAOYSA-N 318.789 2.871 0 40 DFAB COc1ccc(OCCCN2CCCN3CCC[C@@H]3C2)cc1 65564129 HYTNGGPFBSODQW-MRXNPFEDSA-N 304.434 2.634 0 40 DFAB O=C(NCCCN1CCCC1=O)c1cc2cc(Cl)ccc2[nH]1 5349167 SSWQWUXFHXCLGK-UHFFFAOYSA-N 319.792 2.564 0 40 DFAB C[C@H](OCC1CC1)C(=O)NCc1nc2cc(Cl)ccc2[nH]1 69807919 GCMABNJYJVINON-VIFPVBQESA-N 307.781 2.648 0 40 DFAB C[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(F)cc1F 66173604 NLNXJLQGUUBAFS-OCCSQVGLSA-N 323.387 2.906 0 40 DFAB COc1cc(OC)cc(C2=NN(C(C)=O)C3(CCCCC3)O2)c1 4723559 MWJOWPHTXDSBIJ-UHFFFAOYSA-N 318.373 2.905 0 40 DFAB c1ccc2c(c1)OC[C@@H](CNCc1ccc(-n3ccnc3)cc1)O2 8706495 YHLZUUFFANPDNE-QGZVFWFLSA-N 321.380 2.802 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1F 5836722 TXXYRMIOIFJLJV-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB O=C(NCC1(c2ccc(Cl)cc2)CC1)NC1CCOCC1 67089271 SQBQMDAMOSWHQY-UHFFFAOYSA-N 308.809 2.850 0 40 DFAB CCOc1cc(NC(=O)NCc2ncoc2C)ccc1OC 92733524 IXLCIKJGERUXFI-UHFFFAOYSA-N 305.334 2.712 0 40 DFAB Fc1cccc(CN2CCN(Cc3cscn3)CC2)c1F 67712410 GOZDICZWVCTLMJ-UHFFFAOYSA-N 309.385 2.739 0 40 DFAB Cc1csc([C@H](NC(=O)CCNC(=O)C(C)(C)C)C2CC2)n1 72296778 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Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)c3ccccc32)c(C)c1 95397094 XLIKCTRHGCOLIG-QGZVFWFLSA-N 322.408 2.852 0 40 DFAB COc1ccc(CNc2cccnc2-n2cccn2)cc1OC 95350771 AVAVJPHKRMQEHV-UHFFFAOYSA-N 310.357 2.897 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCOC2)ccc1NC(=O)CC(C)C 95401644 NNSLLRZHRPLPGT-HNNXBMFYSA-N 318.417 2.888 0 40 DFAB CCO[C@H](CC)C(=O)NC[C@H](O)c1ccc2ccccc2c1 95417147 RPGOSDWEKCBPJI-DLBZAZTESA-N 301.386 2.805 0 40 DFAB COCc1cc(N2CCCC[C@@H]3CCCC[C@@H]32)n2ncnc2n1 95457993 NRJSSAWMXMCIHL-ZFWWWQNUSA-N 315.421 2.820 0 40 DFAB CO[C@]1(C)C[C@H](NC(=O)CSCc2ccncc2)C1(C)C 73271308 GOTWOXMWJUPONF-XJKSGUPXSA-N 308.447 2.635 0 40 DFAB Cc1ccc([C@@H](CNC(=O)N(C)C2CCC2)N2CCCC2)o1 73980983 LQOHEDXVWCDBJN-OAHLLOKOSA-N 305.422 2.919 0 40 DFAB Cc1nc(C2(NC(=O)[C@H](C)N3CCCCCC3)CCCC2)no1 74043416 XIWHGSVODJVOSW-ZDUSSCGKSA-N 320.437 2.528 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)c1ccccc1N1CCCCC1 95976855 KQFQZJAGFWCHQB-CJNGLKHVSA-N 322.474 2.519 0 40 DFAB CC[C@H]1Oc2cc([C@@H](C)NCc3cc(C)on3)ccc2NC1=O 95985475 VXJKAHRAAGMOLH-IAQYHMDHSA-N 315.373 2.943 0 40 DFAB COC(=O)C1(NC(=O)c2ccc3ncsc3c2)CCCCC1 25169787 PNYJHBKLPOVBOX-UHFFFAOYSA-N 318.398 2.902 0 40 DFAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cc(-c2ccccc2)n[nH]1 32610339 OPGBXYJFPJDKRS-CHWSQXEVSA-N 313.357 2.906 0 40 DFAB CCc1ccc(NC(=O)N(C)[C@@H](C)C[S@@](C)=O)cc1F 120051059 CFIOAYLLFKUIDR-FVINQWEUSA-N 300.399 2.619 0 40 DFAB C[C@@]1(NC(=O)CC[C@H]2CCCO2)CCN(Cc2ccccc2)C1 566318994 BBATWDDGWCUSMU-IEBWSBKVSA-N 316.445 2.726 0 40 DFAB C[C@@H](C(=O)O)c1nn(CCc2ccccc2)c(=O)c2ccccc12 72209284 HWDULKPBVNKEOU-CYBMUJFWSA-N 322.364 2.827 0 40 DFAB Cc1ccc(-c2nc(Cn3nnc(C(=O)O)c3C)c(C)o2)cc1 40478868 GMVYWBONPZXRGU-UHFFFAOYSA-N 312.329 2.605 0 40 DFAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC 222728859 DALJVSSMHNMOEE-SECBINFHSA-N 317.216 2.867 0 40 DFAB COc1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ncn1 225183834 PMFSBOJKWQXORU-VIFPVBQESA-N 306.366 2.672 0 40 DFAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccccc2)c1 224002435 CHMGZLYDGBFEPE-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB O=C(COCC1CC1)NCCc1ccccc1Br 61263048 ICAZDSIHUAYMOL-UHFFFAOYSA-N 312.207 2.534 0 40 DFAB CN(C)CCNC(=S)Nc1ccc(OC2CCCC2)cc1 44665517 IEJJNDCMWVIZHS-UHFFFAOYSA-N 307.463 2.856 0 40 DFAB Cc1nnsc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)no1 41123732 IDXZYCJAWXOASN-JTQLQIEISA-N 321.406 2.720 0 40 DFAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1C 225885884 ALMXJLQDZRZWTK-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1nccn1C 80114140 YECNCYLAMUGHKT-ZBEGNZNMSA-N 316.380 2.682 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)c1cc(N2CCOCC2)on1 224074747 NJLSNMCPPGKFCL-UHFFFAOYSA-N 321.764 2.725 0 40 DFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 41091278 PWDRSRHNBHIHGY-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB O=S(=O)(C1CC1)N1CCc2cc(-c3ccncc3)ccc21 225639773 YANJBRIVFAHYQC-UHFFFAOYSA-N 300.383 2.603 0 40 DFAB COC(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2F)c1 225450530 PGMIGCOPNVBFNE-UHFFFAOYSA-N 317.316 2.802 0 40 DFAB O=C(c1ccc2c(c1O)CCCC2)N1CCC[C@@H]1c1ncon1 577190100 IMKNBMGIFYLGRL-CQSZACIVSA-N 313.357 2.631 0 40 DFAB CCOc1cc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)ccc1OC 95533491 XAMIRCFLMWZGOL-INIZCTEOSA-N 324.384 2.927 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 96479495 AQIULXDSOUNHNK-CABCVRRESA-N 301.386 2.820 0 40 DFAB COC(=O)c1ccc(Cn2cccc(C(F)(F)F)c2=O)s1 96465926 HHULGIJMQIEPCE-UHFFFAOYSA-N 317.288 2.764 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](C)Cc1cccc(F)c1 96440392 IZFJLDUFOLMRSF-CHWSQXEVSA-N 310.413 2.853 0 40 DFAB O=C(NCCCn1ccc2cccnc21)c1cc(C2CC2)on1 96353468 NFUAOPKDCFVBRR-UHFFFAOYSA-N 310.357 2.722 0 40 DFAB C[C@H](C(=O)NC[C@H](C)CCO)c1ccc(Br)cc1 96487686 MNLHOTQUVHJCKL-MNOVXSKESA-N 314.223 2.687 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccoc3)CC2)CN1C(C)C 96051746 RAIIRDXJPXZERH-QGZVFWFLSA-N 306.450 2.991 0 40 DFAB CC[C@@](C)(NC(=O)c1cccnc1OC)c1nc(C)cs1 96423336 UWWJZAHUNASRRW-OAHLLOKOSA-N 305.403 2.910 0 40 DFAB C[C@H](CNc1cnn(C)c(=O)c1Cl)c1nc2ccccc2o1 96446581 IMFZXZJEBSMTMC-SECBINFHSA-N 318.764 2.791 0 40 DFAB O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1c1cccnc1 96055703 FPLWMASTDVPRQD-DLBZAZTESA-N 311.360 2.601 0 40 DFAB CSCC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F 96422387 CPGZMXWNTRJRGA-LLVKDONJSA-N 324.421 2.824 0 40 DFAB C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1CC1CCCCC1 248000733 NRFRANJYZLFELC-ZDUSSCGKSA-N 304.438 2.542 0 40 DFAB O=C(c1ccno1)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257262383 LLELSFZNLQFIQB-HRCADAONSA-N 311.385 2.773 0 40 DFAB COC(=O)[C@H]1CCc2nnc(-c3c[nH]c4ccccc34)n2CC1 601043571 DLVXNQIFLHEDLF-NSHDSACASA-N 310.357 2.552 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 252581680 LMZJUDYRMJDWPU-XLWJZTARSA-N 306.793 2.815 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(C)ccn3)C2)nc1 268321055 MXVSZUIWSFKDGR-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)c2ccccc2Cl)cc1 90611678 PNJMSGFJBGDNMI-INIZCTEOSA-N 318.804 2.869 0 40 DFAB CC(C)CC1(C)CCN(C(=O)c2ccnc3c2nnn3C)CC1 290561664 FVGWODCDBPHJML-UHFFFAOYSA-N 315.421 2.652 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl 49098819 VTCGNQUHWIPANR-BQBZGAKWSA-N 321.229 2.781 0 40 DFAB COc1cccc(CNCc2cccnc2-n2cccn2)c1OC 95350111 RQJQVMWAWRUXOP-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ncon1 97047477 YGFUFLRFNYXLKY-SECBINFHSA-N 300.343 2.684 0 40 DFAB CC(=O)Nc1nc(SCc2ccc(C)cc2C)n(C(C)=O)n1 5538457 RDOHDJHVZIETEA-UHFFFAOYSA-N 318.402 2.806 0 40 DFAB Cc1cc2c(s1)c1cnn(Cc3ccncc3)c(=O)c1n2C 12113503 BUISJMFHSYJJLR-UHFFFAOYSA-N 310.382 2.701 0 40 DFAB COc1cccc2c1cc(C(=O)NCCC[C@@H]1CCOC1)n2C 12148656 YQNNDVVGYGEVHC-CYBMUJFWSA-N 316.401 2.733 0 40 DFAB Cc1cn2c(CN[C@H](C)[C@@H](C)n3cccn3)c(C)nc2s1 78789708 QXXBAEDLZBCSAC-DGCLKSJQSA-N 303.435 2.948 0 40 DFAB Cc1ccc(NC(=O)C(=O)N(C)C(C)C)cc1Br 163368103 KLJRPPDDMAAECF-UHFFFAOYSA-N 313.195 2.563 0 40 DFAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NO[C@@H]1CCCCO1 166951739 KJCURBLGVWQTHI-GFCCVEGCSA-N 318.295 2.704 0 40 DFAB O=C(CCNC(=O)c1ccco1)N[C@@H]1CCCc2ccccc21 3387774 KLBWDJUTTYWXHR-OAHLLOKOSA-N 312.369 2.593 0 40 DFAB O=C(NCC1(c2ccsc2)CC1)[C@H]1COc2ccccc2O1 1889125230 DJVYBLRCRBPQJK-OAHLLOKOSA-N 315.394 2.736 0 40 DFAB Fc1cncnc1N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009022 RJQSUXCFBKPWIP-QWRGUYRKSA-N 307.760 2.838 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(Cc3cc(C)no3)C2)ccn1 1776000553 SHWMVPDCEBQHSQ-OAHLLOKOSA-N 301.390 2.977 0 40 DFAB CCCc1ccc(C(=O)NCC2CCN(C(=O)OC)CC2)cc1 43982193 IPGSSGRDDCPVCN-UHFFFAOYSA-N 318.417 2.847 0 40 DFAB COC(=O)CNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 30690572 IVNMVOZYKPEVGC-LLVKDONJSA-N 309.431 2.802 0 40 DFAB Cc1cc(C)c2nc(Cl)c(C(=O)N3CCOCC3)cc2c1 31773315 BTJRLJBPWLNNSN-UHFFFAOYSA-N 304.777 2.977 0 40 DFAB O=C(CCCc1nc(-c2cccnc2)no1)Nc1ccc(O)cc1 20894480 JYSWAJRJDNWDOX-UHFFFAOYSA-N 324.340 2.799 0 40 DFAB Cc1ccccc1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21058040 NNCAFVJELDMRLN-HZPDHXFCSA-N 318.461 2.542 0 40 DFAB Cc1cc(C)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1 52106328 VWFXRNXERDCGSL-UHFFFAOYSA-N 324.428 2.801 0 40 DFAB c1ccc([C@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)cc1 29537589 OOISDZZRGKWCLA-OAHLLOKOSA-N 311.341 2.903 0 40 DFAB CCCCn1nc(C(=O)NCC(C)C)c2ccccc2c1=O 2616686 UTDCWRJBPODLQZ-UHFFFAOYSA-N 301.390 2.582 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780494 HXGDZPINBWIFBT-UHFFFAOYSA-N 308.809 2.717 0 40 DFAB COc1cc(C(=O)Nc2cnn(C)c2C)ccc1OC(F)F 2796334 OPGRSVGJAQKYAO-UHFFFAOYSA-N 311.288 2.591 0 40 DFAB Cc1ccc(N2CC[C@H](Nc3ccc4c(c3)CC(=O)N4)C2=O)cc1 76083335 BYWSEAMDKDUKOO-KRWDZBQOSA-N 321.380 2.707 0 40 DFAB Cc1cccc([C@H]2NC(=O)N3[C@@H](c4cccc(C)c4)NC(=O)N23)c1 1716040 UBSUVQRUHUFQSU-HOTGVXAUSA-N 322.368 2.966 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C(=O)O)C1 32917369 RZMXVDPYPYGRDL-CQSZACIVSA-N 300.358 2.947 0 40 DFAB O=C(NCc1ccccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 4535162 SWQLEMABZJXJRM-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2-c2cccs2)ccc1=O 22063822 YHNHPRSORXHZOR-UHFFFAOYSA-N 311.366 2.761 0 40 DFAB COCCOc1ccccc1C(=O)Nc1cccc2cn[nH]c12 53000948 KHYTWKXQXUWBCD-UHFFFAOYSA-N 311.341 2.840 0 40 DFAB CCNC(=O)c1csc(NC(=O)c2ccccc2OCC)n1 8874296 HRVQXFJICXYHQR-UHFFFAOYSA-N 319.386 2.544 0 40 DFAB Cc1cc(NC(=O)c2ccc[nH]c2=O)ccc1Br 22284062 KIXZKDGIBGMULN-UHFFFAOYSA-N 307.147 2.698 0 40 DFAB O=C(COc1cccc(Br)c1)NCC(F)(F)F 42199626 JQZYRGITWQWMAP-UHFFFAOYSA-N 312.085 2.506 0 40 DFAB CCOC(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 54360733 GYIMUFOBIOQWOV-XFXZXTDPSA-N 323.345 2.815 0 40 DFAB CCc1nn(C)c(CC)c1CNC1CC(C)(C)NC(C)(C)C1 97045214 VBTSIMMXJGVKJN-UHFFFAOYSA-N 306.498 2.944 0 40 DFAB Cn1cc(CCOC(=O)[C@H]2SCCc3sccc32)cn1 97010605 BEIGQSZCMZHQFQ-ZDUSSCGKSA-N 308.428 2.598 0 40 DFAB CN1CCCN(C(=O)Nc2cccc(COCC3CC3)c2)CC1 97051541 RGMWNHJHMLHNMU-UHFFFAOYSA-N 317.433 2.783 0 40 DFAB Cc1ccc(N2C(=O)N(C[C@H](O)c3ccccc3)C(=O)[C@@H]2C)cc1 24087464 PDJHEYLCQWJYRD-YOEHRIQHSA-N 324.380 2.886 0 40 DFAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1F 101276425 IQXRQDJXYNGSFS-CYBMUJFWSA-N 302.280 2.709 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N=c1[nH]c2ccccc2[nH]1 24475732 DQVRCYLYZHUDED-UHFFFAOYSA-N 320.274 2.959 0 40 DFAB FC(F)(F)c1ccnc(Nc2cnn(C[C@H]3CCCO3)c2)n1 43272593 NZJRBHPRWSOOTH-SNVBAGLBSA-N 313.283 2.615 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccc(OC)cc1)c1cccs1 25081822 AGFQAYRFLZINLM-ZDUSSCGKSA-N 319.382 2.791 0 40 DFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 37795141 SHHQESFPDIPHNF-SWPVVBRQSA-N 301.264 2.603 0 40 DFAB CC1CCN(CCCNC(=O)Nc2ccccc2N(C)C)CC1 44081791 XRVCQIFNYGBMMH-UHFFFAOYSA-N 318.465 2.996 0 40 DFAB CCN(Cc1cc(=O)n2nc(C)sc2n1)c1cccc(C)c1 58141420 IYGWQCBQQYGKBS-UHFFFAOYSA-N 314.414 2.794 0 40 DFAB CCOCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 58195803 MRMLSBIEFIWOPS-QWHCGFSZSA-N 312.207 2.705 0 40 DFAB CCCCCNC(=O)Nc1cccc(CN2CCOC2=O)c1 58140206 HTLSTEQOUPZXOC-UHFFFAOYSA-N 305.378 2.951 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2)no1 58281903 CSWFITDBMJBVKH-QGZVFWFLSA-N 313.401 2.779 0 40 DFAB C[C@@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 3344463 LEWRGSALXNDXNL-SNVBAGLBSA-N 303.431 2.848 0 40 DFAB COC(=O)c1ncn(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 58281204 IKCFNXIXTMBOKZ-CYBMUJFWSA-N 320.780 2.513 0 40 DFAB CCn1ccc(=O)nc1SCc1cc(C(C)=O)ccc1OC 58304812 NTIFCWOPVRSFES-UHFFFAOYSA-N 318.398 2.767 0 40 DFAB C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C1(C(=O)O)CC1 118990407 IFLIIBDMFQKONO-VIFPVBQESA-N 315.291 2.617 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCOC2)cc1OC1CCCC1 58412756 OBBFWMMXFQJDTI-GFCCVEGCSA-N 305.374 2.992 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 3356906 HOMHZRXKFFIZCA-HOCLYGCPSA-N 305.374 2.860 0 40 DFAB O=C(NCC[C@H]1CCCO1)c1ccc(F)cc1Br 37982453 XVUDMSZFVHNCLI-SNVBAGLBSA-N 316.170 2.887 0 40 DFAB COc1ccc2nc(NC(=O)CC3CCNCC3)sc2c1 38074987 YTVRVDNLFGMUBA-UHFFFAOYSA-N 305.403 2.633 0 40 DFAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCCOC 69811761 AWFWYDLWNONVTP-UHFFFAOYSA-N 316.442 2.613 0 40 DFAB O=C1CSc2ccc(C(=O)OCc3nccs3)cc2N1 49014996 QLQJJEKNSLDACO-UHFFFAOYSA-N 306.368 2.544 0 40 DFAB CCC(=O)NCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 49087402 VKDVUPNGSGMBSD-NSHDSACASA-N 312.822 2.519 0 40 DFAB COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1 8772748 JXOALXKWNWKANJ-UHFFFAOYSA-N 323.348 2.823 0 40 DFAB Cc1cc(F)ccc1CN1CCN(C(=O)CC(F)(F)F)CC1 92663446 YFJGAHXTTVKWOO-UHFFFAOYSA-N 318.314 2.731 0 40 DFAB Cc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 4685339 YFCYBKRQLNHERQ-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB COc1ccc(N[S@@](=O)c2ccc(OC)cc2OC)cc1 5702857 OONRNIGFNOCJHP-OAQYLSRUSA-N 307.371 2.847 0 40 DFAB COCc1cccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1 66650218 BHRAKBBIXRCJSS-UHFFFAOYSA-N 320.418 2.598 0 40 DFAB COc1ccccc1N1CCN(Cc2nc(C(C)C)no2)CC1 42242880 NVBGMWWFCHLEQJ-UHFFFAOYSA-N 316.405 2.524 0 40 DFAB Cc1cc(=O)c(C(=O)Nc2cc(-c3ccccc3C)nn2C)c[nH]1 80452197 UYAUNXWAENJUMG-UHFFFAOYSA-N 322.368 2.645 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)NCc1csc(C)n1 15832206 DERJPHWHNVJQRI-JTQLQIEISA-N 306.387 2.544 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@H]1CCN(c2ccccc2)C1 96002144 NOHCQBNSBGWIRU-RDJZCZTQSA-N 317.433 2.524 0 40 DFAB CCc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OC 16780392 SJCFYVCFLRJINL-STQMWFEESA-N 311.447 2.924 0 40 DFAB C[C@H](NC[C@H](C)c1ccsc1)c1ccc(S(N)(=O)=O)cc1 91350208 KJWDIUJHBQNCPK-RYUDHWBXSA-N 324.471 2.850 0 40 DFAB Cc1csc(=O)n1CC(=O)NCC12CC3CC(CC(C3)C1)C2 8346224 MQLNJBWIZMAVNL-UHFFFAOYSA-N 320.458 2.551 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)/C=C/c2cnn(C)c2)cc1 69435896 YXFPOOFFUNBVOX-RNVIBTMRSA-N 313.401 2.532 0 40 DFAB Cn1cc(C(=O)NCCc2ccc(OC3CCCC3)cc2)cn1 69485125 IVJIYYWUGWKOPV-UHFFFAOYSA-N 313.401 2.714 0 40 DFAB O=C(C[C@H]1CCCc2ccccc21)N[C@H]1CCc2nccn2C1 72271691 LSLZVESVYSTVTP-CVEARBPZSA-N 309.413 2.824 0 40 DFAB C[C@H](CC(=O)NC(C)(C)C(N)=O)c1cccc(C(F)(F)F)c1 72291385 MGTREXSOXVMHCY-SECBINFHSA-N 316.323 2.579 0 40 DFAB CN(C)[C@@H]1CC[C@H](NC(=O)CCc2nc3ccccc3s2)C1 93985643 SBHKHHAYJOJHIA-QWHCGFSZSA-N 317.458 2.828 0 40 DFAB CC(C)c1nc([C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)no1 72279290 RCNNOYFYFPRZMV-LBPRGKRZSA-N 317.393 2.833 0 40 DFAB O=C(Nc1ccc2nccn2c1)c1ccn(-c2ccc(F)cc2)n1 72283509 NDFXRYNZWFYWEQ-UHFFFAOYSA-N 321.315 2.911 0 40 DFAB CC(C)(CC(=O)N[C@H](C(N)=O)c1ccccc1)c1ccccc1 71834986 SUPFIPMBNSDSBQ-KRWDZBQOSA-N 310.397 2.697 0 40 DFAB CC(C)c1ccc(OCCNC(=O)N2CC[C@@H]([C@H](C)O)C2)cc1 97107849 ABZFLTOSDOAGBD-GOEBONIOSA-N 320.433 2.601 0 40 DFAB 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ATYUSYCJYXCSAH-UHFFFAOYSA-N 318.461 2.830 0 40 DFAB CC(C)c1ccc([C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 40494276 ITASOSDJJQHKOF-OAHLLOKOSA-N 316.401 2.708 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)c(C)c1 101024577 MRYFENFAZCGVSK-INIZCTEOSA-N 310.353 2.831 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@H]2CCCC[C@H]21 46494057 GQSUAXVNRWWONY-HUUCEWRRSA-N 317.385 2.518 0 40 DFAB CC(=O)Nc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 8133403 SQHLVGQCMWNZTA-UHFFFAOYSA-N 317.433 2.639 0 40 DFAB CNC(=O)c1ccc(C)c(NC(=O)Cc2noc3ccccc23)c1 46706285 VYCFABTUHMMKOU-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H]2c2noc(C)n2)c1C 76043483 ZUTSBYGFNRASBK-AWEZNQCLSA-N 302.378 2.794 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cc2ccccc2o1 77216987 KNFPLKOFJBRHIT-UHFFFAOYSA-N 323.308 2.501 0 40 DFAB CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccccc2)cc1 1716433 CHDGHUKZJREWGV-UHFFFAOYSA-N 321.428 2.657 0 40 DFAB COC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 78903901 FJUGVUMJQQMPMY-UHFFFAOYSA-N 311.447 2.784 0 40 DFAB CCN(CC(=O)NC[C@]1(C)CCCC[C@@H]1O)c1ccccc1 79001248 IZKDTPFMRFGQDE-WMZOPIPTSA-N 304.434 2.570 0 40 DFAB CC1(CNC(=O)CCNC(=O)c2ccsc2)CCCCC1 79097624 OFUQZOFFCLGYMR-UHFFFAOYSA-N 308.447 2.955 0 40 DFAB C[C@@H](Sc1nccn1C)C(=O)NC[C@H](C)c1ccccc1 21780771 NOCWAGLYYJUHAQ-QWHCGFSZSA-N 303.431 2.821 0 40 DFAB COc1cccc(-c2noc(CSc3nccn3C)n2)c1 6369391 WJILYEFYCWHYOA-UHFFFAOYSA-N 302.359 2.771 0 40 DFAB CCCCN1C(=O)S[C@@H](Nc2cccc(C(=O)O)c2)C1=O 12113071 MTQKVXNCXYJPHN-LLVKDONJSA-N 308.359 2.618 0 40 DFAB CN1c2ccccc2C(=O)N[C@H]1c1cnn(-c2ccc(F)cc2)c1 102938020 JRZIOUKZJNHEAA-QGZVFWFLSA-N 322.343 2.890 0 40 DFAB COc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F 8558182 PTZZNOMKWPKLBX-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB CCCn1nnnc1NC(=O)c1ccc(Cl)c(Cl)c1 559780 ZFKOMAQSFOSNSS-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB NC(=O)c1cccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 53232958 HMZGVIIDQBJCME-IBGZPJMESA-N 324.424 2.967 0 40 DFAB C[C@H](c1ccccc1Cl)N1CCC(N2CCNC2=O)CC1 52216394 GWUDOJXQBJOJKJ-GFCCVEGCSA-N 307.825 2.891 0 40 DFAB CC(C)[C@H](C)NC(=O)CCCNC(=O)c1ccc(F)cc1F 22242105 QSYHMFAXXNWYFX-NSHDSACASA-N 312.360 2.636 0 40 DFAB C[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1cccc(F)c1 97038629 NYGYPRQOBAZUIY-CQSZACIVSA-N 318.396 2.528 0 40 DFAB Cc1ccc(CN2CC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)s1 107226644 SLTHEGUMKPSSKK-GDBMZVCRSA-N 303.431 2.859 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H](C)C(C)C)cn2)n1 43068255 NKHSNRYQBQFYTE-CQSZACIVSA-N 315.421 2.728 0 40 DFAB C[C@@H](CNC(=O)Nc1nccs1)N1CCc2sccc2C1 43163430 BVNOJLUKVJHBMR-JTQLQIEISA-N 322.459 2.773 0 40 DFAB CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1C[C@H]3CC[C@H]1C3)C2 106753617 YFPDRXUWBCGGMB-GRDNDAEWSA-N 312.413 2.966 0 40 DFAB O=c1nc(N2CCCCC2)ccn1Cc1cccc(Cl)c1 1432387 WSBMSNBCOKHRDK-UHFFFAOYSA-N 303.793 2.935 0 40 DFAB Cc1ccc(S(=O)(=O)NCCc2ccccn2)c(Cl)c1 25365712 QEGXVLGUYUDGKG-UHFFFAOYSA-N 310.806 2.564 0 40 DFAB CCOC(=O)Nc1cccc(OCc2ccc(C(N)=O)cc2)c1 22092501 KARROMJQLCUALO-UHFFFAOYSA-N 314.341 2.933 0 40 DFAB COCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 12567681 UDPWBRWNSCSFDY-UHFFFAOYSA-N 310.806 2.769 0 40 DFAB CCN(C(=O)CNc1ccccc1C(=O)OC)c1ccccc1 57722617 PCIVXFSDJXIMNF-UHFFFAOYSA-N 312.369 2.938 0 40 DFAB N#CCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1 22344815 MDHLUOADIHDGRU-NTCAYCPXSA-N 309.369 2.945 0 40 DFAB NC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 58098493 MBJZFFPCSCAGGJ-VIIAAUOXSA-N 306.793 2.610 0 40 DFAB CC[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1OC 58296296 KAPYMMIWNNLWAQ-DZGCQCFKSA-N 300.406 2.674 0 40 DFAB O=C(c1cc[nH]n1)N1CCC(Nc2ccccc2Cl)CC1 58244570 ZBNRERFNOJJLLX-UHFFFAOYSA-N 304.781 2.780 0 40 DFAB O=C(O)c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1 21990496 IBKNKOTZIPJEKR-UHFFFAOYSA-N 321.292 2.602 0 40 DFAB O=C(CCn1cncn1)Nc1ccc(Cl)c(C(F)(F)F)c1 10816931 VANZWBWUBKKFGB-UHFFFAOYSA-N 318.686 2.979 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1ccccn1 3507600 RZGKQAXGQXMSQP-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 13018414 RNZFZJRKBJDEBN-NSHDSACASA-N 301.264 2.785 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(F)c(F)c2)c1 70019846 SKDGCCPIXJGXEL-CYBMUJFWSA-N 305.328 2.775 0 40 DFAB CCn1nccc1C(=O)Nc1ccn(Cc2cccc(F)c2)n1 28238228 ODTBRDINHYYVJI-UHFFFAOYSA-N 313.336 2.539 0 40 DFAB CC(C)Oc1nnc(SCc2cccc(C(N)=O)c2)s1 49422797 AAGMFCFGUWACRJ-UHFFFAOYSA-N 309.416 2.717 0 40 DFAB CSc1sc(NC(=O)CN2CCCCCC2=O)nc1C 69457368 IPDIDJDIQQCOJZ-UHFFFAOYSA-N 313.448 2.515 0 40 DFAB CCCCN(CCO)C(=O)Nc1cc(OC)c(OC)cc1C 69416617 SSOPSVQSXKPMBC-UHFFFAOYSA-N 310.394 2.639 0 40 DFAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 5347479 NHAXZMAVDPRNSB-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)c1ncnc2ccccc12 14163995 PDZVAOHQDUJDMO-ZDUSSCGKSA-N 307.353 2.906 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 5470955 OOVNRVOVXISZNZ-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccccc1 5420709 GKDLEFVGEPQBHM-LBPRGKRZSA-N 321.336 2.814 0 40 DFAB Cc1nc(N[C@H]2CCCCNC2=O)c2c3c(sc2n1)CCC3 65944747 GDGOVOLVTZQDLH-NSHDSACASA-N 316.430 2.569 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c(c1)CCCC2 17364952 BYUOPBAFBUZEBT-UHFFFAOYSA-N 316.445 2.942 0 40 DFAB CCOC(=O)c1cn(CCC(F)(F)F)nc1Br 408717565 IBKQHKQWKSAOAS-UHFFFAOYSA-N 315.089 2.775 0 40 DFAB O=C(CONC(=O)c1ccccc1)Nc1cccc(Cl)c1 6790618 MAHUUVAEJKJPED-UHFFFAOYSA-N 304.733 2.640 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnnn1C1CC1 15050891 YPRNUCONHFYCET-LLVKDONJSA-N 317.418 2.744 0 40 DFAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7053799 IBMDYLGDALHKMJ-UHFFFAOYSA-N 317.366 2.674 0 40 DFAB O=C(c1c[nH]c(-c2nnc3ccccn23)c1)c1ccccc1O 7778809 XKIAPSACMLVULE-UHFFFAOYSA-N 304.309 2.661 0 40 DFAB C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1 18699478 GRYUVSQKMIAECT-LLVKDONJSA-N 316.382 2.924 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 72299437 SCXMGEYVVQBWGQ-CYBMUJFWSA-N 318.377 2.704 0 40 DFAB CC(=O)Nc1cccc(NC(=O)Cc2cn3ccsc3n2)c1 9318639 YRKUTGXCWQQZDA-UHFFFAOYSA-N 314.370 2.535 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)ccc1F 9484483 HGDPLPXEJRXRIW-UHFFFAOYSA-N 314.788 2.856 0 40 DFAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccccc2)CC1 19889924 VBCMGHBBASXMCY-AEFFLSMTSA-N 316.445 2.788 0 40 DFAB CCc1ccc([C@H](COC)NC(=O)[C@@H]2COc3ccccc32)o1 96423290 GTTTWSIAEVTXMK-CABCVRRESA-N 315.369 2.822 0 40 DFAB c1cc(OCc2ccc3c(c2)OCCO3)cc(-n2cncn2)c1 71922428 IZAJCEGGZGUBFX-UHFFFAOYSA-N 309.325 2.618 0 40 DFAB OC[C@@H]1CCC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 95403287 BJKNXGMCXNDLQL-ZFWWWQNUSA-N 310.401 2.600 0 40 DFAB CC1CCC(O)(CSc2nc(-c3ccncc3)n[nH]2)CC1 95404015 SLQNYYYMSPUJAQ-UHFFFAOYSA-N 304.419 2.900 0 40 DFAB CC(C)Oc1ccc(NCC(C)(C)S(C)(=O)=O)c(F)c1 95448763 OBRCPGLYIRSLKI-UHFFFAOYSA-N 303.399 2.848 0 40 DFAB CN(C(=O)NCC1(c2ccccc2)CCOCC1)C1CCC1 73741435 KVABSKNYCOHKTE-UHFFFAOYSA-N 302.418 2.929 0 40 DFAB COc1ccc2c(c1)C[C@@H](NCCSCC(C)(C)O)CC2 95973580 UZNDYJZRNCOIOG-HNNXBMFYSA-N 309.475 2.646 0 40 DFAB CN(C)C1CN(C(=O)CCc2cccc(Cl)c2Cl)C1 95977933 MHGJKQLZZTWJLW-UHFFFAOYSA-N 301.217 2.698 0 40 DFAB CS[C@H](CNC(=O)N(C)C[C@@H](C)O)c1cccc(Cl)c1 95983885 XCGXOORRJNYYMJ-ZWNOBZJWSA-N 316.854 2.766 0 40 DFAB CN(Cc1ncnn1C)C(=O)NC(C1CCCC1)C1CCCC1 74311931 STSQBNHBCZNTBO-UHFFFAOYSA-N 319.453 2.706 0 40 DFAB CC(C)(C)c1nnc(CNc2ccc(Cl)cc2C(N)=O)o1 86203677 FNWSPDPXOKXFSY-UHFFFAOYSA-N 308.769 2.732 0 40 DFAB Cc1nc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cs1 75130531 OEFINKGWMJDICK-ZDUSSCGKSA-N 304.419 2.779 0 40 DFAB Cc1cccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c1C 89950055 OYWQQKWVNOEQPM-UHFFFAOYSA-N 301.308 2.833 0 40 DFAB C[C@H](CNC(=O)CCc1ccc(F)cc1F)Cn1cccn1 89900694 SSAFOCHPLFMHOG-GFCCVEGCSA-N 307.344 2.546 0 40 DFAB CCN(C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F)C1CC1 1548622051 ACIHRQBIOWAQCR-KWQFWETISA-N 316.327 2.815 0 40 DFAB CC(C)OC(=O)c1ccn(Cc2cc(F)cc(F)c2)c(=O)c1 188233995 FWIVSMMMIRTMHF-UHFFFAOYSA-N 307.296 2.740 0 40 DFAB C[C@H]1CN(C[C@H](O)COc2ccccc2C(C)(C)C)C[C@H](C)O1 33315052 HEIQUICBMLVKRZ-JYJNAYRXSA-N 321.461 2.833 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H]1CCCOC1 182622435 QOLWQIXAZJEAQH-CABCVRRESA-N 320.437 2.832 0 40 DFAB Cn1nc(C(=O)O)c2c(-c3cccc(OC(F)F)c3)ccnc21 72339600 WHWGCQOEFVSSAR-UHFFFAOYSA-N 319.267 2.935 0 40 DFAB O=C1N(c2ccc(Cl)cc2)Cc2nc(=O)n(C3CCCC3)n21 36353269 PUZBHTLRJNDDQH-UHFFFAOYSA-N 318.764 2.802 0 40 DFAB COC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1OC 185525414 OMISFKFNLDQCIF-VIFPVBQESA-N 318.295 2.656 0 40 DFAB CCOc1cc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79439058 HUCFGVGMDFMGQI-GFCCVEGCSA-N 323.393 2.654 0 40 DFAB Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c1C 521394374 PCOJKGOCLZYVTI-NVXWUHKLSA-N 313.401 2.687 0 40 DFAB COC(=O)c1ccc(NC(=O)c2csc(NC3CC3)n2)cc1 40267327 IRUKIIANUHFUPF-UHFFFAOYSA-N 317.370 2.756 0 40 DFAB COc1ccc(OC)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1 225325578 CNMHHBYNNCDTIP-UHFFFAOYSA-N 312.369 2.956 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)Cc1cccc(C)c1 44901232 KOOOTCOXDAISMW-UHFFFAOYSA-N 319.426 2.965 0 40 DFAB C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1 195530339 UBIUKTAEBXAJLR-QBIMZIAESA-N 314.429 2.806 0 40 DFAB CCOC(=O)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226264639 XRJZMSGUIPJEHP-UHFFFAOYSA-N 316.748 2.833 0 40 DFAB COC(=O)c1cccc(NC(=S)NCc2cccnc2)c1C 225331513 MIEVTJXZJRFUBO-UHFFFAOYSA-N 315.398 2.663 0 40 DFAB CCO[C@@](C)(C(=O)Nc1ccc(OC)c(C(=O)OC)c1)C1CC1 225835410 FYSGWCIWDYPCLU-QGZVFWFLSA-N 321.373 2.626 0 40 DFAB CC(C)CNC(=O)NCc1ccc(N2CCCCCC2)nc1 47617865 XOSXHMCUAMTPCG-UHFFFAOYSA-N 304.438 2.917 0 40 DFAB COc1cccc([C@H](O)CN(C[C@@H](C)O)c2ccccc2)c1 195530342 ZHQHDXCANIWZHV-RDTXWAMCSA-N 301.386 2.616 0 40 DFAB O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1ccsc1 96053685 XQKVIBQATALUGO-BBRMVZONSA-N 316.401 2.982 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21 96134060 LNHRNOIRCPGDIF-GDZNZVCISA-N 321.392 2.903 0 40 DFAB O=C(O)[C@@H]1CC12CCN(C(=O)c1cnc3ccsc3c1)CC2 579909839 YQJJJEYDLFBJOQ-NSHDSACASA-N 316.382 2.623 0 40 DFAB CC(C)OC(=O)c1ccn(Cc2csc(C3CC3)n2)c(=O)c1 97376132 IVKGIJHFZHURKO-UHFFFAOYSA-N 318.398 2.796 0 40 DFAB CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccncc1O 95449292 FXBYKNHODMELMQ-UHFFFAOYSA-N 313.401 2.511 0 40 DFAB Fc1cccc(C[C@@H]2CC3(CO2)CN(C2CCOCC2)C3)c1 257219434 DGTGWHWROOBJFR-QGZVFWFLSA-N 305.393 2.638 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 252505864 OGDIXAHVHSKMKS-BODMPHMZSA-N 308.466 2.558 0 40 DFAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1cccs1 390827201 UXJXQWAUPAGCIV-UHFFFAOYSA-N 312.398 2.745 0 40 DFAB COc1ccc([C@H](NCc2cnn(C)c2)C(F)(F)F)cc1F 390834008 QGXMVBIWENSDET-ZDUSSCGKSA-N 317.286 2.961 0 40 DFAB CN(C(=O)c1ccnc(-n2ccnc2)c1)C1Cc2ccccc2C1 55627073 FNKUCFRCJRCQKG-UHFFFAOYSA-N 318.380 2.507 0 40 DFAB O=C(Nc1ccc(CCN2CCOCC2)cc1)C1CCCC1 56039374 FTBSHIGHEMNRFG-UHFFFAOYSA-N 302.418 2.690 0 40 DFAB O=C(c1cc2ccccc2s1)N1CC(OC[C@H]2CCOC2)C1 1565523000 XAGNZLDQMOPUIY-LBPRGKRZSA-N 317.410 2.779 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 71870340 DPIFBOIQCDZCQF-HUUCEWRRSA-N 305.422 2.660 0 40 DFAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3C)C2)nn1 585234340 JCDZKISEPTWPGX-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CCc4c[nH]nc43)cc2)c1C 1553932638 YHGBCNTYTUAONW-INIZCTEOSA-N 321.384 2.881 0 40 DFAB Cc1nnc(CSc2nnc(C)n2-c2ccccc2C)o1 5619279 MQWNPABXQIZMLN-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB CCOCCn1c(CNC(=O)c2ccco2)nc2ccccc21 11667188 GEJDCJZBMPBYMH-UHFFFAOYSA-N 313.357 2.596 0 40 DFAB Cc1ccc(C2(NCc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 12238739 OBHKZHNXGVODJJ-UHFFFAOYSA-N 321.424 2.964 0 40 DFAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N(C)C)o1 15860112 PHBSWKVQZJWBPC-OAHLLOKOSA-N 316.401 2.694 0 40 DFAB COc1ncccc1-c1cc(O)n2nc(-c3cccnc3)cc2n1 19594652 BYLHPTHXVBFXAP-UHFFFAOYSA-N 319.324 2.568 0 40 DFAB NC(=O)c1c(NC(=O)c2cc(Cl)ccn2)sc2c1CCC2 9503916 FDUZGZFEMWCRDR-UHFFFAOYSA-N 321.789 2.636 0 40 DFAB CSc1ncc(C)c(Nc2ccc(S(C)(=O)=O)cc2)n1 1888879228 XIXBRAWZIQSDBA-UHFFFAOYSA-N 309.416 2.654 0 40 DFAB O=C(N[C@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1)C1CC1 1889070550 VFOOKAIYBMPDMS-NSHDSACASA-N 313.323 2.595 0 40 DFAB CCCN(CC1CC1)S(=O)(=O)c1cccc2nsnc12 23861976 ATWBBIVNZFOFBO-UHFFFAOYSA-N 311.432 2.502 0 40 DFAB O=C(Cn1cccn1)N[C@H]1CCSc2ccc(Cl)cc21 32494788 DGFZTRNGVLBBQC-LBPRGKRZSA-N 307.806 2.890 0 40 DFAB COc1ccc2cc([C@@H](C)C(=O)O[C@@H](C)C(=O)O)ccc2c1 2061000037 VQYOGLFXMSESFX-MNOVXSKESA-N 302.326 2.968 0 40 DFAB Cc1cnc(C)c(OC2CCN(Cc3c(C)noc3C)CC2)n1 2087122745 KKUUHBOSYMJZIL-UHFFFAOYSA-N 316.405 2.742 0 40 DFAB COc1ccc(C(=O)Nc2nnc(SC)s2)cc1OC 4086642 UTXGGMPCTNUCSV-UHFFFAOYSA-N 311.388 2.530 0 40 DFAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1ccc(F)cc1 2580183 KHHSZUUMCXABNR-UHFFFAOYSA-N 318.144 2.999 0 40 DFAB COC[C@@](C)(CNC(=O)C1(c2cccs2)CCCC1)OC 575614019 ZDHXTNYKPPUZEK-OAHLLOKOSA-N 311.447 2.728 0 40 DFAB COc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)cn1 30009510 YVVQCUVNRLGFDC-CYBMUJFWSA-N 303.406 2.897 0 40 DFAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]21 100071611 VYXBHRQTPIDEGY-WMHQRMGPSA-N 323.348 2.643 0 40 DFAB CCc1cc2c(N3CCC[C@@H]3C(=O)NC3CC3)ncnc2s1 40511172 CAWOSRGTPBMBEZ-CYBMUJFWSA-N 316.430 2.501 0 40 DFAB O=C(CCc1nc(-c2ccsc2)no1)OCc1ccccn1 51201650 XBJGLVWXZMXQPQ-UHFFFAOYSA-N 315.354 2.869 0 40 DFAB CC[C@@H](CNC(=O)c1ccncc1)N1CCc2ccccc2C1 32445813 UEZBOQYJPQGBIS-SFHVURJKSA-N 309.413 2.648 0 40 DFAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)c1cccnc1 32406493 GTXMDQSIBQKVBX-SECBINFHSA-N 314.769 2.914 0 40 DFAB COc1cc(NC(=O)NC2Cc3ccccc3C2)cc(OC)c1 171396 DUKRSJUFHMUWJG-UHFFFAOYSA-N 312.369 2.993 0 40 DFAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F 76091042 BXWMMWLWJMWUDS-VIFPVBQESA-N 301.264 2.921 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2ccc(COC)o2)C12CCCC2 76068116 TUXHHHRGJNGCIT-CABCVRRESA-N 307.390 2.894 0 40 DFAB CSC1(CNC(=O)NCCc2cccc(C)c2)CCOCC1 76085836 UAGVUXAWJQGJKB-UHFFFAOYSA-N 322.474 2.749 0 40 DFAB CS(=O)(=O)c1ccc(N[C@@H]2CCN(CC3CCCC3)C2)cc1 97085977 SQOAOMOXZCRAAI-MRXNPFEDSA-N 322.474 2.767 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2O)on1 78953240 FHLOUEJZHPXVRL-HIFRSBDPSA-N 309.410 2.681 0 40 DFAB O=C(Nc1cccnc1)N1CCN(c2cc(F)ccc2F)CC1 79020982 YBBIFHXMQHFZAG-UHFFFAOYSA-N 318.327 2.714 0 40 DFAB Cc1cccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 22027866 CDOSPQRXEOEQFQ-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB O=C(NC1Cc2ccccc2C1)c1cn2cc(Cl)ccc2n1 12321330 BMOVVHNXHNPUPE-UHFFFAOYSA-N 311.772 2.885 0 40 DFAB O=S(=O)(Oc1ccccc1-c1nnco1)c1ccccc1 3181026 WGFLAHZLVSUWKU-UHFFFAOYSA-N 302.311 2.504 0 40 DFAB c1cnc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)cs2)nc1 106826454 ZEPSLNDECXWXPL-ZIAGYGMSSA-N 316.430 2.744 0 40 DFAB OCC1CCN(Cc2cc(F)ccc2Br)CC1 50104687 LFWQBDKGSRHTOF-UHFFFAOYSA-N 302.187 2.793 0 40 DFAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 1426236 KNJJJMGZBSUKFB-UHFFFAOYSA-N 321.373 2.976 0 40 DFAB Cc1cccc([C@@H]2CCCN2CC(=O)Nc2nncs2)c1 55909341 BUQZWVYMBPMYGG-ZDUSSCGKSA-N 302.403 2.622 0 40 DFAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(O)nn1 56378844 FCGLLJBZZMLMFC-UHFFFAOYSA-N 303.749 2.645 0 40 DFAB O=C(CCc1cccs1)NC[C@H]1COc2ccccc2O1 25984898 XSTIFTMOLHJKHN-LBPRGKRZSA-N 303.383 2.637 0 40 DFAB Cn1ccnc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21 84284642 HVQXSXQCURRRTQ-CYBMUJFWSA-N 301.438 2.581 0 40 DFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCO)CO3 57134927 JKARUQINIUIZMJ-UHFFFAOYSA-N 323.776 2.598 0 40 DFAB Cc1cc(C)nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 116827810 RYZIVHWVTYEGAP-HDICACEKSA-N 308.429 2.662 0 40 DFAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 58405695 BQEFHSDNWUBJJH-MRXNPFEDSA-N 318.442 2.602 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccncc3)cn2)n1 58268984 DVSHNEWLRCKCKN-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n1 58317106 LMHAEBBYKRQFMW-NWDGAFQWSA-N 320.190 2.925 0 40 DFAB O=C1C(=O)N(CN(Cc2cccc(F)c2)C2CC2)c2ccccc21 58529758 FFVFYRCIQMYAIO-UHFFFAOYSA-N 324.355 2.977 0 40 DFAB CCn1c(C)cc(C(=O)NCc2nc3ccccc3n2C)c1C 48374914 UJVMLRUHLQTHLG-UHFFFAOYSA-N 310.401 2.942 0 40 DFAB COc1ccc(CNC(=O)N2CCc3sccc3C2)cc1O 48303309 BSWQMZSCEQUAKX-UHFFFAOYSA-N 318.398 2.730 0 40 DFAB COc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 12865802 MIWWSDVDVLVNKN-UHFFFAOYSA-N 309.163 2.716 0 40 DFAB CCCCCNC(=O)N[C@@H](c1ccccc1)c1nccn1C 45585539 VZMHTLPOGIHDTC-HNNXBMFYSA-N 300.406 2.999 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N4CCC(=O)CC4)c23)C1 3453190 WIQOZWNXINQNHO-SNVBAGLBSA-N 301.415 2.985 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccsc1 36686435 QYINTSARYIBOSA-XHDPSFHLSA-N 303.383 2.935 0 40 DFAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnccn1 29354663 PPUWHMMULOGLOA-UHFFFAOYSA-N 300.318 2.992 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCn2c1nc1ccccc12 29377545 DLCOPGZKKVECPJ-UHFFFAOYSA-N 310.357 2.621 0 40 DFAB CCc1oc2ccccc2c1CN[C@@H]1CCc2nc(C)nn2C1 69981796 BTZDNUUEIHBSIR-CYBMUJFWSA-N 310.401 3.000 0 40 DFAB O=C1NC2(CCCCC2)C(=O)N1Cc1cc(-c2ccco2)on1 8316099 KUOUJZCRCKFVLS-UHFFFAOYSA-N 315.329 2.689 0 40 DFAB C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 23023116 DKDNKSCDVQBHMM-SECBINFHSA-N 323.190 2.791 0 40 DFAB CC(C)c1noc([C@@H](C)Sc2nnnn2CC(F)(F)F)n1 69417032 OBXYHMDLDZRSFU-ZCFIWIBFSA-N 322.316 2.595 0 40 DFAB CC(C)c1noc(CCCNC(=O)N(C)Cc2ccccc2)n1 65517431 HYQYPNOYAHJDEE-UHFFFAOYSA-N 316.405 2.967 0 40 DFAB CCOc1ccc(C(C)=O)cc1COn1nnc2ccccc21 8777189 YRCIHIPOBDSGNS-UHFFFAOYSA-N 311.341 2.661 0 40 DFAB CN(CCc1cccc2ccccc12)C(=O)NCCn1ccnc1 69739509 NZZRGEMTLDGURA-UHFFFAOYSA-N 322.412 2.920 0 40 DFAB Cc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 7273302 GPPKIKIMHYCKKZ-VIFPVBQESA-N 308.428 2.829 0 40 DFAB COc1ccc(I)c(C(F)(F)F)n1 90530400 OALNBVZKAAUOCT-UHFFFAOYSA-N 303.021 2.714 0 40 DFAB in-vitro c1ccc(-c2nc(N3CCOCC3)s[n+]2-c2ccccc2)cc1 15973774 HULZMRLVXSOPQJ-UHFFFAOYSA-N 324.429 2.923 0 40 DFAB COc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC)c1 20141380 OSNBJXZKMCRZMZ-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCCC1(C)OCCO1 97115806 VGKLHTIHMPNZJP-ZIAGYGMSSA-N 306.406 2.631 0 40 DFAB C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc[nH]n1 72306708 ZABLFCRUSCBFHN-VIFPVBQESA-N 324.306 2.733 0 40 DFAB CCOC(=O)N1CCC(Nc2ncnc3sccc23)CC1 9337790 OGVYOJDJJPSJGO-UHFFFAOYSA-N 306.391 2.724 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1)c1ccccc1 9467070 JECBWDSXNWYSCJ-SFHVURJKSA-N 305.381 2.868 0 40 DFAB O=C1O[C@H](N2CCN(Cc3ccccc3)CC2)c2ccccc21 19849620 RCGVBOHDRUDCFW-SFHVURJKSA-N 308.381 2.673 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@@H](C)c2ccccn2)C1(C)C 96415599 CVXMJKIOUTYHCH-NWANDNLSSA-N 305.422 2.988 0 40 DFAB CCO[C@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 96433572 YYXHUYBLFLCKDN-SECBINFHSA-N 312.416 2.555 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)C[C@@H]1O 96497147 ADFLWNGLBWKHMK-YPMHNXCESA-N 308.447 2.815 0 40 DFAB COc1cccc([C@@H]2SCC(=O)N2c2nccs2)c1OC 19927200 NXPMZZJOJDRRQI-ZDUSSCGKSA-N 322.411 2.939 0 40 DFAB CC(=O)NCCCN(C)C(=O)c1oc2c(Cl)cccc2c1C 71910410 WJNFFDKNVSMFEY-UHFFFAOYSA-N 322.792 2.993 0 40 DFAB O=C(NCCSc1ccccc1)c1ccc(-n2cncn2)cc1 9691578 UMUHKINOGSAJMV-UHFFFAOYSA-N 324.409 2.789 0 40 DFAB CC(C)(C)c1cn2nc(N3CC[C@@H](N4CCCC4)C3)sc2n1 95469692 NQCXFCJZPUQAFX-GFCCVEGCSA-N 319.478 2.763 0 40 DFAB O=c1c2ccccc2ncn1CCSCc1nccs1 95431243 SAJULKGLERJIBS-UHFFFAOYSA-N 303.412 2.786 0 40 DFAB Cc1noc(-c2cccnc2N2CCN(C)c3ccccc3C2)n1 95403189 NPGVQPBIXKSSNJ-UHFFFAOYSA-N 321.384 2.896 0 40 DFAB CC(C)[C@@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)N1CCCCC1 95994519 ZUJRCUGEOZBHJS-CABCVRRESA-N 310.482 2.959 0 40 DFAB Cc1cccc2[nH]c(C(=O)OCC(=O)N3CCCCC3)cc12 9954463 WKGOLSPFVOAGJR-UHFFFAOYSA-N 300.358 2.646 0 40 DFAB CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75125971 IIGHIMMOCSEYRN-GFCCVEGCSA-N 300.358 2.573 0 40 DFAB COc1cc(F)c(NC(=O)N(C)Cc2cc(C)on2)cc1F 89604726 VOGZAAUOEIZXEY-UHFFFAOYSA-N 311.288 2.934 0 40 DFAB COc1ccc(NC(=S)Nc2cc(C(=O)O)ccc2O)cc1 408585869 KETVWEVLHGSXOR-UHFFFAOYSA-N 318.354 2.908 0 40 DFAB O=C(c1ccccn1)N1CCn2c(-c3cccs3)cnc2C1 306136766 QCTBILUPFXQIJW-UHFFFAOYSA-N 310.382 2.663 0 40 DFAB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1NS(C)(=O)=O 20456051 JJLKYZSHAUIOKV-UHFFFAOYSA-N 324.446 2.771 0 40 DFAB Cc1cc(O)cc(C)c1C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2385539 QSKQZXRPUXGSLR-CYBMUJFWSA-N 309.362 2.529 0 40 DFAB biogenic CCOC(=O)CC(=O)NN1c2ccccc2CCc2ccccc21 3136744 RWZCAARUDFXCAL-UHFFFAOYSA-N 324.380 2.908 0 40 DFAB biogenic O=C(CNCC(F)(F)F)NC1(c2cccc(Cl)c2)CC1 77164306 SNUHFPLTHGUJBG-UHFFFAOYSA-N 306.715 2.597 0 40 DFAB CN1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 34019221 OFTBVDMAKZQMSA-SFHVURJKSA-N 300.446 2.810 0 40 DFAB Cc1cc(N)nc(SCCC(=O)Nc2cccc(F)c2)n1 74024851 ZQGFNDLZTFFHRZ-UHFFFAOYSA-N 306.366 2.627 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 72382408 WDTRZGYEIXBEFA-CQSZACIVSA-N 311.389 2.568 0 40 DFAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccccc1F 217720868 XOODSCMZVGGKOS-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB O=C(c1cnc(O)c2ccccc12)N1CCO[C@@H](C2CCC2)C1 565820412 AVDNEFHKHUWOFS-MRXNPFEDSA-N 312.369 2.582 0 40 DFAB CS[C@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 77648278 QQPQDQIGKFOMIC-GMSGAONNSA-N 308.230 2.895 0 40 DFAB COc1ccc2ccccc2c1[C@@H](CN)N1C[C@H](C)O[C@H](C)C1 33455598 RHKIELOGOLFZBF-JKIFEVAISA-N 314.429 2.957 0 40 DFAB O=C(Cc1ccccc1)NCCc1nc(-c2ccccc2)no1 32593774 XYHLADOGUZOBQE-UHFFFAOYSA-N 307.353 2.638 0 40 DFAB Cc1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 183398984 CAKMFYWNLVDWOR-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 222398555 NFJBEOKXKYNELU-INIZCTEOSA-N 324.424 2.701 0 40 DFAB CCS(=O)(=O)c1ccccc1N1CCC[C@@H](n2cccn2)C1 195576154 QRCCOPDFJLBPDV-CQSZACIVSA-N 319.430 2.518 0 40 DFAB O=C(OCc1c(F)cccc1F)c1ccc(-n2ccnc2)nc1 191395391 ZPFZRTJOZNVNGP-UHFFFAOYSA-N 315.279 2.903 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1cnc(OCCOC)c(C)c1 225884449 MPKNTLDYGVNJMA-MRXNPFEDSA-N 310.394 2.559 0 40 DFAB Cc1cc(N)cc(Br)c1N1CCC[C@H](C(=O)O)C1 226755581 GMLINKMZEHYNSA-VIFPVBQESA-N 313.195 2.641 0 40 DFAB Cc1nc(-c2ccc(F)cc2)cc(N2CC[C@H](C(=O)O)C2)n1 96516903 YSFUECIWSVNJBI-LBPRGKRZSA-N 301.321 2.502 0 40 DFAB CC(C)(C)C(=O)N1CCC(CN(CCO)c2ccccc2)CC1 97099716 HLBGARUHOREVMH-UHFFFAOYSA-N 318.461 2.770 0 40 DFAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1ccco1 96197850 UXXVXGSSOIQBTI-INIZCTEOSA-N 301.390 2.632 0 40 DFAB COCCn1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)n1 96413390 FENCOLBJQVNZCJ-KRWDZBQOSA-N 318.421 2.884 0 40 DFAB COCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C)o1)CC2 96047520 GTMIYNYUNIBRLW-GOSISDBHSA-N 320.433 2.582 0 40 DFAB O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@@H]1CCCc2ccccc21 332008094 XKQWIBCTLIOCIS-LLVKDONJSA-N 309.291 3.487 0 40 DFAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1cc[nH]n1 96485977 VMBVJDUOEZCTDQ-SECBINFHSA-N 318.427 2.816 0 40 DFAB CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 96450614 IZFVNPLLLTVGEL-HUUCEWRRSA-N 318.442 2.975 0 40 DFAB CN(CCOc1ccccc1Br)C[C@@H]1CCOC1 93792710 YHSJKZXYCYUJPH-LBPRGKRZSA-N 314.223 2.796 0 40 DFAB CC(C)n1nc(Cn2cccn2)c2c1CN(c1cccnc1)C2 96084551 FCRFBKJXNRMRBZ-UHFFFAOYSA-N 308.389 2.624 0 40 DFAB O[C@@H](CN[C@@H]1CCSC1)c1ccc(OC(F)(F)F)cc1 96476795 GGJGFLPHGOGQKL-PWSUYJOCSA-N 307.337 2.714 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(O)cc1 95116824 PXNQWJZSRGVEJO-INIZCTEOSA-N 316.382 2.503 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H]1CC1(Cl)Cl)C2=O 245236980 AHDKLUSBDWCGIB-KBVBSXBZSA-N 305.205 2.681 0 40 DFAB COC1CCC(N(C)C(=O)CC[C@@H](N)c2ccccc2)CC1 252498552 RENWHAWWJDRNDP-OFLPRAFFSA-N 304.434 2.883 0 40 DFAB CCn1nccc1-c1ccc(C[C@@H]2CCCN(C(C)=O)C2)cn1 257256048 KJWUFIRMLAVHFK-INIZCTEOSA-N 312.417 2.766 0 40 DFAB Cn1nccc1CN1CCC[C@H](Cc2nccn3cccc23)CC1 257208723 BNKCSYRNWCZQIY-INIZCTEOSA-N 323.444 2.913 0 40 DFAB c1cc(-c2ccc(CN[C@H]3CCO[C@]4(CCSC4)C3)o2)[nH]n1 253433389 WJIKCTIQRGUGNT-BLLLJJGKSA-N 319.430 2.814 0 40 DFAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2c(C)noc2C)n1 257218852 DEPDQRIAQDHKGK-QGZVFWFLSA-N 314.389 2.850 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2CO)cc1 252515606 MDTGOOGNARBNMV-GVDBMIGSSA-N 302.395 2.543 0 40 DFAB Cc1ccc(C[C@H](C)NC(=O)c2ccc(C(=O)O)c(C)n2)s1 262314396 QDYLZNSPJNQIMC-VIFPVBQESA-N 318.398 2.819 0 40 DFAB Cc1nsc(C)c1-c1noc([C@H]2CCc3cn[nH]c3C2)n1 293175009 YXHMOHYZDXMSOP-VIFPVBQESA-N 301.375 2.806 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575406093 VNWSUCXPDOGOID-ZDUSSCGKSA-N 306.431 2.593 0 40 DFAB CN(Cc1ccc(F)cc1)C[C@H](O)COCc1cccs1 44866732 MYOPSELXLKFFCT-HNNXBMFYSA-N 309.406 2.897 0 40 DFAB CCN(CC)[C@H](CNC(=O)CN(C)C(C)C)c1ccccc1 60161738 WLALDPZXIJGDFL-QGZVFWFLSA-N 305.466 2.526 0 40 DFAB O=NN(Cc1ccccc1)[C@@H](c1ccccc1)S(=O)(=O)O 5104258 PTXOJABCWSGJCE-CQSZACIVSA-N 306.343 2.757 0 40 DFAB CCCCn1nnnc1CSc1nc2cc(C)ccc2[nH]1 5184881 YOXUTRYRBHAUMV-UHFFFAOYSA-N 302.407 2.950 0 40 DFAB S=C(NC[C@H]1CCCO1)Nc1ccc(N2CCCCC2)nc1 11102107 PXQZLQNBYYOSSY-CQSZACIVSA-N 320.462 2.537 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1 13404804 LAZFNYPKCLYBDZ-VOTSOKGWSA-N 302.355 2.731 0 40 DFAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\SC(=S)N=C1O 13914010 GWAWHIWSNHOXGC-PAKSIRSJSA-N 317.395 2.897 0 40 DFAB CCc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 15592932 BTVGDXKXYFAKFA-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1C 16265769 AUMZBVPDBLGZOH-UHFFFAOYSA-N 308.794 2.873 0 40 DFAB c1ccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 19371803 WJEWGQVGJSDWOR-CQSZACIVSA-N 307.357 2.516 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cnccn3)C2)on1 19452872 FFFTYFAFQMWTPF-GFCCVEGCSA-N 300.362 2.608 0 40 DFAB CCn1c(CN2CC[C@H](Nc3ncccn3)C2)nc2ccccc21 563712269 FKNNQLBZJCANHK-AWEZNQCLSA-N 322.416 2.533 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1CNc1ccc(Cl)cc1 27023680 NSBXHPUFHDDXSQ-UHFFFAOYSA-N 322.773 2.554 0 40 DFAB Cc1c(Cl)ccc2s/c(=N\C(=O)c3ccn(C)n3)n(C)c12 101070347 IEYIXNKUZZMKDC-PEZBUJJGSA-N 320.805 2.676 0 40 DFAB COc1ccc2oc(=O)n(CN3CCc4ccccc4C3)c2c1 104529317 AORXNJGDTIHBFK-UHFFFAOYSA-N 310.353 2.619 0 40 DFAB COc1ccc(CN(C)Cc2nnsc2Cl)cc1OC 40473519 IVOWCPQHDAXJCI-UHFFFAOYSA-N 313.810 2.841 0 40 DFAB CN1C(=O)c2ccc(NC(=O)CCc3cccs3)cc2C1=O 32674454 SZQDATPMAADPGR-UHFFFAOYSA-N 314.366 2.545 0 40 DFAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Oc1ccccc1 51854 WLMXMKXJWWLKAP-LBPRGKRZSA-N 317.370 2.745 0 40 DFAB C[C@@]1(C(=O)Nc2ccc(-n3cccn3)nc2)CC1(Cl)Cl 32754757 KEQQVEAVPWKHOY-LBPRGKRZSA-N 311.172 2.790 0 40 DFAB COC(=O)N1N(C(=O)OC)[C@]2(C)C(C)=C(C)[C@@]1(C)C(=O)C2(C)C 391275 TWWILAZVEPTKMR-JKSUJKDBSA-N 324.377 2.515 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3O)cn2)n1 46310200 KCWQACYWANENOZ-UHFFFAOYSA-N 322.368 2.520 0 40 DFAB O=C(CNc1ncnc2c1oc1ccccc12)NCc1ccco1 29844350 CLJXEBRXGUVKNB-UHFFFAOYSA-N 322.324 2.697 0 40 DFAB CCC[C@H](CC(=O)O)NC(=O)c1cnn(-c2ccccc2)c1C 97036691 KNNOGQZYJRTKMJ-CYBMUJFWSA-N 315.373 2.554 0 40 DFAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1 78238228 FOFZJNMFTHTGEE-UHFFFAOYSA-N 315.316 2.925 0 40 DFAB O=C(NC1=NCCS1)c1csc(CCc2ccccc2)n1 78552935 VAURQMQKMGNUAN-UHFFFAOYSA-N 317.439 2.761 0 40 DFAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2n1C 79023982 JWHPHHFZLCMKKF-LLVKDONJSA-N 323.352 2.590 0 40 DFAB CCOC(=O)CCSc1nnc(-c2ccc(O)cc2)n1CC 4167541 KSSJDNLOKHWACH-UHFFFAOYSA-N 321.402 2.716 0 40 DFAB CCCC(=O)C1C(=O)CC(c2ccc(OC)c(OC)c2)CC1=O 102773130 DPVBDQUVCYTBRZ-UHFFFAOYSA-N 318.369 2.705 0 40 DFAB S=C(NNC(=S)NC1CCCCC1)Nc1ccccc1 6644228 JPVDIMSRCHRYAN-UHFFFAOYSA-N 308.476 2.685 0 40 DFAB Cc1n[nH]c2c1[C@H](c1ccc3c(c1)OCO3)S[C@H](C)C(=O)N2 6678611 SEZLJEZPIYFMBK-OQPBUACISA-N 317.370 2.610 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(NC(=O)CC(C)C)cc1 6709327 GAFZZHRRXUWXTG-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccccn1 6747809 VPGUUACGYQSKJU-INIZCTEOSA-N 308.316 2.786 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2)s1 33025933 XAGYOYVINFJSRE-UHFFFAOYSA-N 320.389 2.584 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 10254063 OHFPVTKUCBJZJM-UHFFFAOYSA-N 319.263 2.573 0 40 DFAB CC(C)(C)OCc1cccc(CNC(=O)N2CCOCC2)c1 69628754 HLPNQNPQDNYNBZ-UHFFFAOYSA-N 306.406 2.544 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 33144906 ARIRWZDWGMSHRI-INIZCTEOSA-N 324.336 2.605 0 40 DFAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](n2ccnc2)C1 69655348 NYEGOIAETBTSOO-QGZVFWFLSA-N 321.384 2.546 0 40 DFAB CC1(C)COCCN1C(=O)c1cc(Br)ccc1F 42372081 SQHIUGWBTFERMG-UHFFFAOYSA-N 316.170 2.839 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccs2)c1C 17841950 XHDLCMMOSPSOEX-VIFPVBQESA-N 306.387 2.971 0 40 DFAB O=C(CSc1nncn1Cc1ccco1)Nc1ccccc1 23990228 BVPWQLDFNBXDOU-UHFFFAOYSA-N 314.370 2.650 0 40 DFAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1F 101276422 UITGXUKYVKOXBD-ZDUSSCGKSA-N 302.280 2.709 0 40 DFAB CN(Cc1ccsc1)C(=O)COC(=O)c1cc(Cl)c[nH]1 25199895 MSZAZDIPAPLLEV-UHFFFAOYSA-N 312.778 2.545 0 40 DFAB O=C(O)c1cccc(CNC(=O)c2ccn(C3CCCC3)n2)c1 97035855 VPHGSPPWCDWJCU-UHFFFAOYSA-N 313.357 2.626 0 40 DFAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccoc1 97085875 WGXLSVQQMZJTRL-UHFFFAOYSA-N 315.304 2.831 0 40 DFAB COc1ccc2c(c1)CCN2C(=O)c1cc(C)cc(OC)c1O 106912555 CNETTWZJQNNAOF-UHFFFAOYSA-N 313.353 2.921 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccs1 3219534 OZAMCKHSUIXOET-NSHDSACASA-N 301.367 2.883 0 40 DFAB c1csc(N2CCC(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)n1 97081081 IWFHTYSIJNBEBC-KFWWJZLASA-N 307.463 2.659 0 40 DFAB CC(C)(C)OC(=O)NC1(C(=O)O)C[C@@H]2[C@@H](C1)C2(Cl)Cl 100140435 SLPFOCNLECXFIJ-RNFRBKRXSA-N 310.177 2.548 0 40 DFAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)nc(O)n3)cc2C)cc1 97082736 OUWRFGHBCNTBIF-UHFFFAOYSA-N 323.356 2.545 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)c(C)n1 48236206 SBGYNGXUVLZHPB-LLVKDONJSA-N 300.406 2.578 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)s1 10142837 NFPRECUYUSISJE-SKDRFNHKSA-N 310.419 2.612 0 40 DFAB Cc1ccccc1C(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070924 JYPIRZRLABZGRC-SFHVURJKSA-N 320.392 2.577 0 40 DFAB Cc1ccccc1-c1noc(CCC(=O)N2CCSCC2)n1 44842089 UBNOQMUUZJPOJZ-UHFFFAOYSA-N 317.414 2.553 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccs1 3372565 ZJAOBSFNMIMTTF-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB CCN(C)c1ccc(C(=O)N(Cc2nccn2C)C2CC2)cc1 58342063 JYQLHKJROPKPMJ-UHFFFAOYSA-N 312.417 2.681 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27907388 LKNSHQLJYAIZRS-GOSISDBHSA-N 322.364 2.970 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(F)cc1F 12781531 YFIUBRKWLCRNIN-UHFFFAOYSA-N 318.323 2.652 0 40 DFAB O=C(CCCCc1ccc(Br)cc1)Nc1nc[nH]n1 48355014 LXTYXKQHRCHFTQ-UHFFFAOYSA-N 323.194 2.919 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCC1(N(C)C)CCCCC1 8673931 MLPMHUOIUSNOAL-CQSZACIVSA-N 322.424 2.974 0 40 DFAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1ccc(F)cc1Cl 69811588 SZSJCSCAWNKVBG-AYLIAGHASA-N 305.802 2.643 0 40 DFAB COc1ccc(CC[C@@H](C)NC(=O)N2CCSCC2)cc1 62931869 RUGGOJSKUOSOPP-CYBMUJFWSA-N 308.447 2.775 0 40 DFAB COc1cccc(C(=O)NCCOCc2ccccc2)c1OC 177070989 ZZBOOSJDZNMBJG-UHFFFAOYSA-N 315.369 2.650 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 13170362 BKLLIDZDDKOFSR-JTQLQIEISA-N 316.184 2.859 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1N 9469725 LQIJVKIUVOTZLS-GFCCVEGCSA-N 304.390 2.571 0 40 DFAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)N(CCO)C1CC1 65439104 DAUXDRAAPOQBRV-UHFFFAOYSA-N 306.259 2.833 0 40 DFAB CC(C)c1ccccc1NC(=O)NCCCN1CCOCC1 65541851 SZWACUVCUSSYKC-UHFFFAOYSA-N 305.422 2.654 0 40 DFAB COCCOc1ncccc1NC(=O)C=C(C1CC1)C1CC1 65539253 FPIXUAKTBLXHMN-UHFFFAOYSA-N 302.374 2.792 0 40 DFAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cccc(F)c1 8992911 JGLHMPWDONWICN-QMMMGPOBSA-N 317.349 2.611 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1cccc(C)c1 408706825 FLOSQLJALZBARV-HNNXBMFYSA-N 304.434 2.944 0 40 DFAB Cc1ccccc1Nc1nc(C(=O)N2CCOCC2)cs1 4687885 YEHIKYZIWXDQPR-UHFFFAOYSA-N 303.387 2.668 0 40 DFAB CSCC[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 6624215 FECGORXRGYRFQZ-AWEZNQCLSA-N 317.414 2.588 0 40 DFAB biogenic Nc1ccc2c(NC[C@H]3CCO[C@H]3c3ccccc3)ncnc2n1 90095272 LTVBXUZDLHZCQE-CJNGLKHVSA-N 321.384 2.797 0 40 DFAB CCCn1c(SCc2ncc(-c3cccs3)o2)n[nH]c1=O 67428572 KDSIUSYHVPLGQK-UHFFFAOYSA-N 322.415 2.990 0 40 DFAB COc1cccc([C@@H]2CC(=O)Nc3nc4ccccc4n32)c1OC 9218663 NKZWIWFUPFGGPW-AWEZNQCLSA-N 323.352 2.985 0 40 DFAB O=C(NC1CC1)c1cn(-c2ccccc2)nc1-c1cccnc1 8077149 BPEGWIOWMMCYFL-UHFFFAOYSA-N 304.353 2.827 0 40 DFAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1C1CC1 69055664 XYJIDUODVTWAEI-GOSISDBHSA-N 305.337 2.522 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1 8259563 WBHTYXQGKGKPNT-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB C[C@H](NC(=O)/C=C/c1ccc(O)cc1)[C@@H](O)Cc1ccccc1 96004363 WILNOXUPIZQJKD-BMFDJNLFSA-N 311.381 2.514 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(CC)C2)cc1 69485797 AERHIIBMHARSLT-OAHLLOKOSA-N 318.421 2.641 0 40 DFAB Cc1cn2cc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)ccc2n1 69486272 UMFGSXULVZWQMI-MRXNPFEDSA-N 320.352 2.774 0 40 DFAB Cc1noc(-c2ccc(N(C)Cc3ccc4c(c3)OCO4)nc2)n1 71794498 BSJSOLMGRQAWNX-UHFFFAOYSA-N 324.340 2.805 0 40 DFAB CN([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 96419781 TVLVZAXEEKADAF-FNTJKLTHSA-N 321.442 2.732 0 40 DFAB COCCn1nc(C)c(NC(=O)Nc2cc(C)cc(C)n2)c1C 97142881 UKVOTNCGOJBPMZ-UHFFFAOYSA-N 317.393 2.802 0 40 DFAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC(=O)N[C@H](C)C1 95468804 QASFSYCKOUSDHG-MBNYWOFBSA-N 314.385 2.867 0 40 DFAB Cc1cc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)c(C)o1 73901107 QEMKELOXGHMMDB-BZNIZROVSA-N 306.362 2.757 0 40 DFAB CCC[C@H]1SCCN1S(=O)(=O)c1sc(C)nc1C 95980092 HDRYJFXMLXNLRW-SNVBAGLBSA-N 306.478 2.624 0 40 DFAB OCCn1nc(-c2cccs2)cc1NCc1cncs1 95973150 JAUPKWNPZSQWKH-UHFFFAOYSA-N 306.416 2.673 0 40 DFAB Cc1cc(C)nc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)n1 95975926 HTDIAOWBBDCWFZ-INIZCTEOSA-N 310.401 2.810 0 40 DFAB CC(C)[C@@H](C)N(C(=O)N[C@H]1CCN(CC(F)(F)F)C1)C1CC1 86372559 SSOAVTUIUQJWLP-NEPJUHHUSA-N 321.387 2.842 0 40 DFAB CC(C)Cc1noc(CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 89919848 XNDAPGITNPRIDB-GFCCVEGCSA-N 315.373 2.625 0 40 DFAB C[C@@H](Cc1ccccc1Br)NCc1cnn(C)c1 89904216 VJCZBMIKJRPUKA-NSHDSACASA-N 308.223 2.903 0 40 DFAB CN1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)C1=O 75604018 LLLLJIKLTAEKGZ-UHFFFAOYSA-N 307.825 2.672 0 40 DFAB C[C@H](CCC1CCCCC1)OC(=O)[C@H]1CCS(=O)(=O)C1 69598956 ZIFPZFMZRUBMJN-OCCSQVGLSA-N 302.436 2.713 0 40 DFAB CCc1sc([C@H]2N[C@H](C(=O)O)CS2)cc1Br 36612367 TYQDAKWUXOJSMN-RCOVLWMOSA-N 322.249 2.861 0 40 DFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1Cl 30868164 GTKHQUMCMSQIQN-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB CCC(=O)N1CCC[C@H]1c1csc(Nc2cnccn2)n1 72384760 PUSMUELLLQTWDI-NSHDSACASA-N 303.391 2.750 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@H](Cc2ccccn2)C1 72385181 ZRSFUWMXNMGPBY-OAHLLOKOSA-N 316.426 2.725 0 40 DFAB Cc1nc(C(C)C)ncc1C(=O)NCc1ccc2c(c1)OCO2 75436985 GCUTXQGOWINNMY-UHFFFAOYSA-N 313.357 2.567 0 40 DFAB COc1cccc([C@H](NC(=O)C2=CCCCO2)c2cccnc2)c1 73454463 RUCJZRSZBKCILV-SFHVURJKSA-N 324.380 2.990 0 40 DFAB NC(=O)c1ccc(F)c(NC(=O)N2CCc3ccccc3C2)c1 47870466 WLYFTADJYANVRP-UHFFFAOYSA-N 313.332 2.515 0 40 DFAB COCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC 224399047 UJKJMZSQVAAPKU-UHFFFAOYSA-N 315.325 2.823 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225547542 NGYFKOPNESUJHS-CKYFFXLPSA-N 315.822 2.816 0 40 DFAB Cc1ccc(Cn2cc(Nc3ncnc4[nH]ncc34)cn2)cc1 41121091 PXTGFWBWYFOHKK-UHFFFAOYSA-N 305.345 2.650 0 40 DFAB O=C(c1ccccc1)N1CCOC[C@H](OCc2ccccc2)C1 85436037 ORBGZZKGSLRGQC-GOSISDBHSA-N 311.381 2.744 0 40 DFAB biogenic,in-vitro CC[C@](NC(=O)c1ccc2n[nH]cc2c1)(C(=O)O)c1ccccc1 576622436 UIAYIFPVDVGYBQ-GOSISDBHSA-N 323.352 2.683 0 40 DFAB COc1ccc(CC(=O)NC[C@H]2CCCC[C@H]2O)c(Cl)c1 96472959 IWCYTJCZGAPVOO-IUODEOHRSA-N 311.809 2.558 0 40 DFAB COCc1nc2n(n1)C[C@@H](NC[C@H](C)C1CCCCC1)CC2 583651986 XQJAIVZKZHIIDH-ZFWWWQNUSA-N 306.454 2.545 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCOC1)c1cc(F)c(F)c(F)c1 95408170 XBZINOXQHFYFJN-UWVGGRQHSA-N 316.323 2.843 0 40 DFAB CCN(CC)C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1 98029996 SNZOFNABSBNBSD-UHFFFAOYSA-N 301.350 2.536 0 40 DFAB CC(=O)N1CCCCC12CCN(C(=O)c1ccsc1)CC2 96078152 DSIPRLFBQREEGP-UHFFFAOYSA-N 306.431 2.755 0 40 DFAB CCCCn1nc(C(=O)N2CCC3(CCCC3)CC2)ccc1=O 96414620 JJOLDNJXMKKRKY-UHFFFAOYSA-N 317.433 2.840 0 40 DFAB FC(F)(F)c1sccc1CNCCc1nnc2n1CCC2 527635627 NDACUIXAWQNPEK-UHFFFAOYSA-N 316.352 2.637 0 40 DFAB CNc1cc(C)nc([C@@H]2CN(Cc3ccc(C)nc3)CCO2)c1 257207172 BGQUIKYHBHYNLS-SFHVURJKSA-N 312.417 2.709 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1CCCn1ccc2ccccc21 42656614 KLPRPLUHURNQEE-UHFFFAOYSA-N 319.364 2.735 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)cc1F 257221114 DNOJULXMMVBXQT-GFCCVEGCSA-N 317.364 2.652 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCCC[C@@H]2c2ccn[nH]2)o1 257339958 ZDXPROCUWYINOA-CYBMUJFWSA-N 317.393 2.603 0 40 DFAB Cc1ncc(C(=O)N2CCC(C)(c3nccs3)CC2)c(C)n1 257284540 PDBYZXXYZSPEOA-UHFFFAOYSA-N 316.430 2.744 0 40 DFAB C[C@H](c1nc(Cc2cccnc2)no1)N(C)CC(F)(F)F 252508209 XGKGRCHVCQOQEB-SECBINFHSA-N 300.284 2.611 0 40 DFAB COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 265619214 NCXFNSYMQVPQLC-GMXVVIOVSA-N 305.374 2.631 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CC[C@H](n2cc(C3CC3)nn2)C1 390826399 JXVYDXXVQYICPW-ZDUSSCGKSA-N 321.384 2.724 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(F)c(F)c1 390825805 DLYAFZPZHUILBY-ZDUSSCGKSA-N 321.327 2.983 0 40 DFAB CCCN(CCC)Cc1cc(C(=O)N2CCC=C(F)C2)no1 585139868 ROZALFLKVCQSOS-UHFFFAOYSA-N 309.385 2.996 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(OC)cc1OC 45242489 JGQGZWPGLIWJTD-VIFPVBQESA-N 321.402 2.609 0 40 DFAB O=C(Cc1cccs1)Nc1cc(C(F)(F)F)c[nH]c1=O 47502711 GQEFSTNQUYUSME-UHFFFAOYSA-N 302.277 2.636 0 40 DFAB CCS[C@H]1CCCC[C@H]1Nc1nn2c(=O)ccnc2s1 75105361 LDJBRNFBMDXCHE-ZJUUUORDSA-N 310.448 2.627 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@H]1CC[C@H](N)C1 91547339 HILXBFQHCDGUIB-JQWIXIFHSA-N 311.223 2.535 0 40 DFAB O[C@@H]1[C@@H](NCc2ccccn2)CCC[C@H]1Oc1cccc(F)c1 1615155331 OWNKHFRHFUPLQR-RCCFBDPRSA-N 316.376 2.671 0 40 DFAB CCOc1ccc2[nH]c(C(=O)N[C@H]3CCCN(C)C3)c(C)c2c1 12195165 IHZZYQICIUPKPZ-ZDUSSCGKSA-N 315.417 2.699 0 40 DFAB COc1ccc(CCNC(=S)Nc2cccnc2)cc1OC 13837118 QMYQPGYXLYCGQH-UHFFFAOYSA-N 317.414 2.628 0 40 DFAB CCOc1cc(CN2CCC(CC(=O)OC)CC2)ccc1O 15423841 FWTMJSQZNNYFFO-UHFFFAOYSA-N 307.390 2.566 0 40 DFAB C[C@H](N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 165393169 IVMHTMVTNZHXNC-VIFPVBQESA-N 307.781 2.534 0 40 DFAB COc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)c(OC)c1 6005516 TXTNTWDLHLGLNF-XNTDXEJSSA-N 308.337 2.621 0 40 DFAB CCC[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1 3545810 WIONXQWQZOGHQG-GFCCVEGCSA-N 304.419 2.664 0 40 DFAB Cc1c(C(=O)Nc2cccc(Oc3cnccn3)c2)cnn1C 33137627 ORBXWBUWKVTFSX-UHFFFAOYSA-N 309.329 2.563 0 40 DFAB CC(C)(C)OC(=O)Cn1cc(Br)cc(Cl)c1=O 571680034 DVBDEPMOFQJPHP-UHFFFAOYSA-N 322.586 2.606 0 40 DFAB COc1ccccc1CNC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163556 JSIFOTKZTAVSLA-UHFFFAOYSA-N 322.364 2.984 0 40 DFAB COCC(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 5083791 OKFVMYRNGIMXQN-UHFFFAOYSA-N 301.371 2.956 0 40 DFAB O=C(C1CC1)N(CCn1cccn1)c1nc2ccccc2s1 22601979 VUXJINVWHJQZOY-UHFFFAOYSA-N 312.398 2.936 0 40 DFAB CCc1nccn1CC1CN(c2ccncc2Br)C1 2086861050 BKKPHYCAORJVCJ-UHFFFAOYSA-N 321.222 2.739 0 40 DFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCCC[C@@H]1C 96406138 LNDINVFODQVMFI-GUYCJALGSA-N 300.402 2.755 0 40 DFAB CC(C)OCCCNC(=O)CN(C)[C@@H]1CCc2ccccc21 40489853 YXFLQQRMRNNXIJ-QGZVFWFLSA-N 304.434 2.537 0 40 DFAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1 246524 LMHNSFMFDMIEQR-SFHVURJKSA-N 317.433 2.771 0 40 DFAB C[C@@H](Cc1ccsc1)N1CCN(C(=O)c2ccncc2)CC1 97084194 XIPKJQBBVLTFAR-AWEZNQCLSA-N 315.442 2.532 0 40 DFAB CN(Cc1ccc(Cl)nc1)Cn1ncc2ccccc2c1=O 29886750 OOSLBZLYUNRLBJ-UHFFFAOYSA-N 314.776 2.534 0 40 DFAB COCCN(Cc1ccc(F)cc1Cl)Cc1nccn1C 69653769 ANMDRXCXKZHXCV-UHFFFAOYSA-N 311.788 2.861 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CC[C@H]2CCCO2)c1 69696594 XSIGVADCRDDOCG-JKSUJKDBSA-N 305.422 2.532 0 40 DFAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1C1CC1 4163773 HBCMJEHNUUXIPT-UHFFFAOYSA-N 322.364 2.919 0 40 DFAB Cc1ccccc1[C@H]1CCCN1Cc1nc(O)c2cnn(C)c2n1 52833461 CTKMKKVUOJYIEB-OAHLLOKOSA-N 323.400 2.714 0 40 DFAB CN(C)c1cc(C(=O)n2cccc/c2=N\C2CCCCC2)ccn1 103285228 RYIYKAFANLEWQQ-HEHNFIMWSA-N 324.428 2.871 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(Cl)C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@]12Cl 100930723 SXIFUYIBLDTKKR-SDUIEIOZSA-N 309.192 2.738 0 40 DFAB COc1ccc([C@H](C)NCC2(CO)CC2)c(Br)c1 97034613 NNCQMAIOVGYXLD-JTQLQIEISA-N 314.223 2.881 0 40 DFAB Cc1cc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)no1 8686188 YSRXEEABPMYNHE-UHFFFAOYSA-N 321.387 2.560 0 40 DFAB CC(=O)c1ccccc1NCC(=O)NCc1ccccc1F 24219500 RAHTZHLITVYKRI-UHFFFAOYSA-N 300.333 2.757 0 40 DFAB CC(C)CC[C@H](C)NC(=O)C[C@H](NC(N)=O)c1ccccc1F 24463434 NSPUVUGZXSAZJQ-WFASDCNBSA-N 323.412 2.866 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3O)cn2)n1 24786731 WRNHGPUFRCHEIP-UHFFFAOYSA-N 308.341 2.842 0 40 DFAB C[C@H]1CN(C(=O)Cc2csc(-c3ccco3)n2)C[C@@H](C)O1 25091387 UAQJADYZEWDELA-PHIMTYICSA-N 306.387 2.581 0 40 DFAB CCCn1cc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1=O 106865141 HKTMEQFMYDUUOL-SGMGOOAPSA-N 305.447 2.733 0 40 DFAB CCN1CCc2ccc(NC(=O)NC[C@H](C)C[C@H](C)O)cc21 106915900 GWHWQDAYPUELLE-OLZOCXBDSA-N 305.422 2.598 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)Nc3cnn(C)c3)sc2n1 25308587 BAMJEAABGGSMNA-UHFFFAOYSA-N 315.402 2.856 0 40 DFAB CC(C)CC(=O)Nc1ccc(N[C@@H]2CCCCNC2=O)cc1 12523398 VGCDCYOIEKQKBY-OAHLLOKOSA-N 303.406 2.752 0 40 DFAB O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1Cn1cccn1 69982351 PCZZONZFCIGXTD-LBPRGKRZSA-N 307.756 2.980 0 40 DFAB COc1ccc(CNC[C@H](O)c2ccc(F)c(F)c2)cc1O 58014431 TUUHEQYPHLXSAZ-HNNXBMFYSA-N 309.312 2.502 0 40 DFAB Cc1nc(C)c([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)s1 58016669 GKLPLYGSYIROPH-QMMMGPOBSA-N 301.375 2.522 0 40 DFAB COc1ccc(OCCNC(=O)c2cccnc2SC)cc1 10291636 DMKFVKQRMCQIEN-UHFFFAOYSA-N 318.398 2.621 0 40 DFAB Cc1csc([C@@H](NC(=O)CCNC(=O)C(C)(C)C)C2CC2)n1 72296779 GOCCWTGENRAOCX-ZDUSSCGKSA-N 323.462 2.571 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)CCc1cccnc1)c1ccccc1 58300166 LLACJKCMNPECCV-SFHVURJKSA-N 320.396 2.654 0 40 DFAB CS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 10549241 YHPYRNDZCFPTQR-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB NC(=O)c1cc(-c2csc(-c3ccccc3O)n2)ccc1O 68479937 UANXKXJFZDRONP-UHFFFAOYSA-N 312.350 2.987 0 40 DFAB C[C@@H](NC(=O)c1nc2ncccn2n1)c1ccc(C(C)(C)C)cc1 36611678 DUNPNAMVWNLZHW-GFCCVEGCSA-N 323.400 2.913 0 40 DFAB Cc1ccc(S(=O)(=O)n2ncc(-c3ccccc3)c2N)cc1 59227443 YWFRIMLAVZKPPB-UHFFFAOYSA-N 313.382 2.678 0 40 DFAB O=C1NCCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)o1 11328582 KIFFVMFVHKPQKP-LLVKDONJSA-N 307.350 2.637 0 40 DFAB CCCc1cc(O)nc(SCC(=O)c2ccc(O)cc2O)n1 11443337 NKDMHHMQNVWUJF-UHFFFAOYSA-N 320.370 2.521 0 40 DFAB CCCCNS(=O)(=O)c1ccc(Br)c(OC)c1 11566043 AGCGFUNUCNJZAV-UHFFFAOYSA-N 322.224 2.536 0 40 DFAB Cc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1 3898231 IEQDTUFJDFCHLA-UHFFFAOYSA-N 317.322 2.688 0 40 DFAB biogenic CCc1noc(C)c1C(=O)OCC(=O)Nc1c(F)cccc1F 5166693 LDOHEDSLWWEZBI-UHFFFAOYSA-N 324.283 2.619 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)NCCN1CCOCC1 65536644 BKBXCPPQMABCDZ-UHFFFAOYSA-N 305.422 2.572 0 40 DFAB CN(C)[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 65516771 CGQHMGINCXHVAF-VIFPVBQESA-N 302.752 2.784 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1cc(F)ccc1F 6423553 CLKJVZHOGAEQSW-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(C(C)C)cc1 14191999 NGECHYNYEBPVBG-UHFFFAOYSA-N 314.433 2.922 0 40 DFAB Cc1cccc(C2(C(=O)N[C@H](C)C(=O)NC3CCCC3)CC2)c1 65608202 FSOKZJHUGHEGEI-CQSZACIVSA-N 314.429 2.590 0 40 DFAB CN(C)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 5421317 ICZKDRHBZPIRQI-MRXNPFEDSA-N 309.369 2.566 0 40 DFAB Cc1cc(F)ccc1NC(=O)C[C@@H](NC(N)=O)c1cccs1 14348934 AWHCQUGHEKQTNS-GFCCVEGCSA-N 321.377 2.934 0 40 DFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 5504610 LNQMHGJWFRLAFL-LLVKDONJSA-N 314.263 2.506 0 40 DFAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccccc1F 5522510 JGNFDPSUYURGKO-UHFFFAOYSA-N 318.333 2.935 0 40 DFAB COC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 66257783 DIBFBAOJGCEREO-UHFFFAOYSA-N 316.741 2.718 0 40 DFAB C[C@H]1CCN(C(=O)CSc2ncn[nH]2)c2ccccc2S1 5736740 SBLKKHWSROVNSZ-JTQLQIEISA-N 320.443 2.814 0 40 DFAB CCOc1cc2c(cc1CNC(=O)c1cccnc1)O[C@H](C)C2 6847146 NCDPORQDGFMGQZ-GFCCVEGCSA-N 312.369 2.734 0 40 DFAB O=C(Nc1cnc2sccn2c1=O)c1ccc(Cl)cc1 4936940 JTLWUCIHSMOVRT-UHFFFAOYSA-N 305.746 2.662 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1csc(-c2ncccn2)n1 67516065 QNARYSJEVGKICO-QWHCGFSZSA-N 322.393 2.886 0 40 DFAB COc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(C)c1F 96008376 HCPMLHHPBBLWAN-UHFFFAOYSA-N 314.338 2.548 0 40 DFAB CCCc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 8392318 UTYKEFIZSIGWKQ-UHFFFAOYSA-N 316.386 2.500 0 40 DFAB Cc1noc(CCCC(=O)NCC2(c3ccccc3C)CC2)n1 69532836 WQYLQIBQJDLADW-UHFFFAOYSA-N 313.401 2.857 0 40 DFAB Cc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccccn1 2356096522 LNKILJJEPUUYDI-UHFFFAOYSA-N 319.364 2.798 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1c1cnn(C)c1 71797327 KARQVCNNCKLSCT-RHSMWYFYSA-N 324.428 2.535 0 40 DFAB CC1([C@H]2CCCN(C(=O)CCc3ccccc3)C2)OCCO1 97107085 XKFFPLSTIDCMSH-INIZCTEOSA-N 303.402 2.621 0 40 DFAB COc1ccc(NC(=O)C[C@H]2CCCO2)cc1Br 71900017 WGHBIPQZJHUUKC-SNVBAGLBSA-N 314.179 2.965 0 40 DFAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](C)S(C)(=O)=O 71920742 GLOOTYGTMQRGAB-ZIAGYGMSSA-N 323.458 2.809 0 40 DFAB Cc1cc(NCCc2cnn(-c3ccccc3)c2)n2nccc2n1 72427074 ADYYVBARXRLHQH-UHFFFAOYSA-N 318.384 2.878 0 40 DFAB O=C(c1cc[nH]n1)N1CCc2c(Br)ccc(F)c2C1 97374378 MKFDMRTYPGBHLN-UHFFFAOYSA-N 324.153 2.510 0 40 DFAB COc1ccc([C@H](C)NC(=O)NCCn2cccc2)c(OC)c1 84417183 YASFZUHSPGPNEO-ZDUSSCGKSA-N 317.389 2.566 0 40 DFAB O=C1Cc2cc(NC(=O)c3cc(-c4cccs4)n[nH]3)ccc2N1 95396946 NXTFYQYBHZJYBG-UHFFFAOYSA-N 324.365 2.885 0 40 DFAB Cc1ccc(C)c(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 95458166 ZJTPBRYBIOPTEP-RHSMWYFYSA-N 304.390 2.763 0 40 DFAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc2ccccc2[nH]1 95435382 ORFXBZBVUNJTND-CQSZACIVSA-N 306.369 2.572 0 40 DFAB C[C@H](NC(=O)N[C@]1(C)CCOC1)c1nc2cc(Cl)ccc2[nH]1 95975367 XGKHKGCDIKJILU-BJOHPYRUSA-N 322.796 2.756 0 40 DFAB Cc1ccc(N(C(=O)C[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 95958462 VZSJMFVNTCYXDF-CQSZACIVSA-N 309.431 2.561 0 40 DFAB CCOCc1cccc(CNC(=O)N2CCOC[C@@H]2C2CC2)c1 95976552 WIAJQTRZLHJKAH-QGZVFWFLSA-N 318.417 2.544 0 40 DFAB COCc1cc(NC(=O)N[C@@H](C)CCc2ccccc2)ncn1 89895741 LEBIMRKDNGIVQY-ZDUSSCGKSA-N 314.389 2.766 0 40 DFAB CCC[C@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)c1nnn[nH]1 89949531 HXNURVYVNDRQOO-YUMQZZPRSA-N 313.814 2.676 0 40 DFAB Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1ccc(Cl)cc1 37009207 AIFLXURFZRQCLI-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB O=C(NCc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 79035950 UEFFSJBKNYAQFS-SJORKVTESA-N 311.385 2.881 0 40 DFAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COCC(C)C 224446697 HLDIBROPYNQRCS-INIZCTEOSA-N 321.417 2.777 0 40 DFAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCCC2)cc1 40373345 GZHQVKXWQOAWRW-QGZVFWFLSA-N 307.434 2.662 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=S)NC[C@@H]2CCCO2)c1 225155450 YEJGLPRROAJLSC-VIFPVBQESA-N 314.794 2.504 0 40 DFAB COc1cccc2c(N3CCC[C@H](CC(=O)O)C3)nccc12 320161906 XJEVAHZPMQXXCJ-GFCCVEGCSA-N 300.358 2.935 0 40 DFAB CC1CCN(C(=O)[C@H](C)Oc2nn(C)c3ccccc23)CC1 226755240 HYLLJAXYTWPCHN-ZDUSSCGKSA-N 301.390 2.599 0 40 DFAB C[S@](=O)c1nncn1Cc1csc2c(Cl)cccc12 84841037 KPZQIAXKYAXBGO-LJQANCHMSA-N 311.819 2.932 0 40 DFAB CCCc1nnc2sc(NC(=O)c3ccc(C)c(F)c3)nn12 41076403 RIDADHNXUGLJTK-UHFFFAOYSA-N 319.365 2.838 0 40 DFAB COc1ccsc1C(=O)N[C@H](C[S@](C)=O)c1ccccc1 96445516 JHRPROQMCLMTIU-XUSGNXJCSA-N 323.439 2.606 0 40 DFAB COC(=O)c1c[nH]c2ccc(I)cc12 98181556 WKUSKHAFKQXDPX-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB CC(C)CN1C[C@H](c2nc(-c3ccc(Cl)o3)no2)CC1=O 578600167 SUAQRMBDXJUUKY-SECBINFHSA-N 309.753 2.955 0 40 DFAB CC(C)(C)NC(=O)CCN1CCC[C@@H]1C[C@H](O)c1ccccc1 96441734 NUQRSVQKGQBRCM-SJORKVTESA-N 318.461 2.879 0 40 DFAB CC1(C)C[C@@H](NCc2ccnc(O[C@H]3CCOC3)c2)C(C)(C)O1 90954776 RTJLLBSTHLNLKD-LSDHHAIUSA-N 320.433 2.685 0 40 DFAB C[C@H]1SCCN(CCCS(C)(=O)=O)[C@@H]1c1ccccc1 96411365 QNRAOTQBNGAPJA-HIFRSBDPSA-N 313.488 2.600 0 40 DFAB C[C@H](Nc1cnn(CC(F)F)c1)C(=O)Nc1cccc(F)c1 97377285 RKFGZRGVHZEDTM-VIFPVBQESA-N 312.295 2.726 0 40 DFAB CSC[C@H](C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451324 GFFHZVPPCUQOHR-NSHDSACASA-N 302.399 2.727 0 40 DFAB C[C@@H](CF)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21 255187665 GAGJXHZQKDKPBV-YFKPBYRVSA-N 303.211 2.648 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)c3c(C)oc4c3CCCC4)C[C@@H]2C1 257257835 KRGZPUSRFWOZHG-WDNDVIMCSA-N 303.402 2.964 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1 257251543 JREGSDCCIFCMRH-CQSZACIVSA-N 306.369 2.896 0 40 DFAB O=S(=O)(NCCc1ccoc1)c1cccc(C(F)(F)F)c1 96024644 OTBBOAMPKIKKLQ-UHFFFAOYSA-N 319.304 2.819 0 40 DFAB CC(C)CCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575403366 JQTZPFOPMMVCPW-CQSZACIVSA-N 320.458 2.983 0 40 DFAB COCC[C@@H]1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2 575404641 ORWGFKYOGQYRGE-OAHLLOKOSA-N 303.402 2.653 0 40 DFAB CCCNC(=O)CCNC(=O)c1sc2ccc(F)cc2c1C 53142506 OATPTPPZADGDQQ-UHFFFAOYSA-N 322.405 2.995 0 40 DFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCCCC1 55339146 OOZINSAQAHVRGN-UHFFFAOYSA-N 319.405 2.851 0 40 DFAB COC(=O)c1ccc(NCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 54529892 MYEHUAZMGZCVGF-STQMWFEESA-N 304.390 2.675 0 40 DFAB C[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 68630419 KCKXSHFYVGNUSE-GOEBONIOSA-N 304.438 2.736 0 40 DFAB CC(C)S(=O)(=O)N(C)C(=O)[C@@H](C)c1ccc(Cl)s1 84622338 NOZGCILGMGITEE-QMMMGPOBSA-N 309.840 2.702 0 40 DFAB O=[S@@](CCn1cccn1)Cc1csc(Br)c1 89885035 GXXMIALQGDAOLS-MRXNPFEDSA-N 319.249 2.656 0 40 DFAB CC[C@@H](COc1ccccc1)NC(=O)[C@H]1CC12CCOCC2 98018446 VSGJSNIALIBECM-GOEBONIOSA-N 303.402 2.777 0 40 DFAB C[C@@H](c1cccs1)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 78921929 KZVGNUFCXSOTED-VHSXEESVSA-N 306.353 2.904 0 40 DFAB O=C(CCCc1cccs1)N1CC[C@](O)(C(F)(F)F)C1 98013067 VEQQWPCWTXTPOS-GFCCVEGCSA-N 307.337 2.597 0 40 DFAB CN1C(=O)COc2ccc(NC(=O)CCc3ccccc3)cc21 12225183 YHFTXCXWHOXZIR-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB CCc1cccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c12 12238117 KMLHCSMFSAVPBZ-UHFFFAOYSA-N 301.434 2.601 0 40 DFAB COCCNc1ncc(-c2cc(C)no2)c(-c2ccoc2)n1 12252337 FLVFDAPDRIYRPG-UHFFFAOYSA-N 300.318 2.758 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(Br)cc1F 14257726 BBWIGFJNSNNSKD-UHFFFAOYSA-N 305.172 2.811 0 40 DFAB O=C(Cc1ccccc1F)NCc1nnc(-c2cccs2)o1 19348227 YVGCLYIKBMPSQW-UHFFFAOYSA-N 317.345 2.796 0 40 DFAB c1cnc(OC[C@H]2CCCN(c3ncnc4ccccc34)C2)nc1 1889179575 NBEUUTXABPPOKY-AWEZNQCLSA-N 321.384 2.715 0 40 DFAB CC(C)C[C@H](N)C(=O)N(C)Cc1ccc(Br)s1 150732638 VDEIOVWVLMHAHL-JTQLQIEISA-N 319.268 2.842 0 40 DFAB CCN1C(=O)C2(CCN(C(=O)c3cc[nH]c3)CC2)c2ccccc21 1565544228 GMPZMNURGOQGLK-UHFFFAOYSA-N 323.396 2.555 0 40 DFAB O=C(c1ccc2nc[nH]c2c1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523506 POGSPAVYJUQSNV-KBPBESRZSA-N 321.384 2.768 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ncccc3C)CC2=O)cc1 4272589 QWBHYAGDOUVIFX-AWEZNQCLSA-N 324.384 2.625 0 40 DFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)(C)C 5339320 LPINJSZYPLECQY-UHFFFAOYSA-N 310.419 2.520 0 40 DFAB O=C(NCc1c(F)cccc1F)C(=O)Nc1ccccc1Cl 10327644 IAIRBDDICVOCPE-UHFFFAOYSA-N 324.714 2.873 0 40 DFAB O=C(NCc1ccncc1)c1c[nH]c2c(Cl)cccc2c1=O 40288350 CHQIBHIMECUUFV-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 100793888 CAKIQDDNTQFNPM-KWBADKCTSA-N 302.399 2.791 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1cccs1 102172135 DKWFPFNDOROYEL-MBNYWOFBSA-N 309.431 2.775 0 40 DFAB CCn1nnc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc21 32722176 PSLSHGDMRFWIPT-AWEZNQCLSA-N 322.368 2.705 0 40 DFAB CCc1sc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1C 60241819 CASQEKVDXJOYNP-ZDUSSCGKSA-N 314.410 2.676 0 40 DFAB CC[C@@H](O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 97082938 NDKXTPMLNVDYBO-ZIAGYGMSSA-N 303.324 2.850 0 40 DFAB C[C@H](c1ccc(F)cc1)N(C)CCCN1C(=O)NC(C)(C)C1=O 52301857 CAIOFSWIHGDEEY-GFCCVEGCSA-N 321.396 2.539 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)c2csc(C)n2)o1 76087392 QSBYRWMPJVBHEV-BONVTDFDSA-N 323.418 2.621 0 40 DFAB O=C1Cc2ccccc2C(=O)N1OCc1ccc(Cl)cc1 1397142 FZBHGQAHNSPNBI-UHFFFAOYSA-N 301.729 2.997 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(NC(N)=O)cc1 32899628 QAVVIKZFCSPWDV-UHFFFAOYSA-N 322.368 2.897 0 40 DFAB NC(=O)NCc1ccc(C(=O)Nc2cccc3ncccc23)cc1 32995938 STXBFNJTMNNIEB-UHFFFAOYSA-N 320.352 2.655 0 40 DFAB COc1ccc(CNC(=O)NC2CCCCC2)c(OC)c1OC 51375066 KVEGIOPRPJAMBE-UHFFFAOYSA-N 322.405 2.844 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)C1 8074326 XZVZXFSOEFDMOG-JTQLQIEISA-N 322.459 2.884 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCc2ccc(F)cc2)cc1C 55949525 GPYSXNYYVAGOSY-UHFFFAOYSA-N 323.389 2.930 0 40 DFAB COc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 101275197 NPCWDNOIGUWUNS-HNNXBMFYSA-N 310.353 2.748 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)n1 23118127 DGGWUNMNVONMAK-UHFFFAOYSA-N 322.412 2.966 0 40 DFAB COC(=O)Nc1cccc(NC(=O)NCCc2ccccn2)c1 47710796 XVMOCPOXRGBACR-UHFFFAOYSA-N 314.345 2.624 0 40 DFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(C)=O 55927340 MYKMCYADLLYTSW-UHFFFAOYSA-N 317.216 2.868 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@H]1CC[C@@H](C(=O)O)C1 97039267 QOEWGCQBXQRPSV-BDAKNGLRSA-N 301.795 2.704 0 40 DFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2[nH]cnc2c1 12544415 GGAIBEHATVRZON-UHFFFAOYSA-N 320.352 2.707 0 40 DFAB COC(=O)CCCCCCC(=O)Nc1ccc(C(=O)O)cc1 116567711 SXDVZKONTNKEKZ-UHFFFAOYSA-N 307.346 2.837 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)on1 72275113 NRVKUEXNUSMYPR-SNVBAGLBSA-N 314.794 2.817 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccn2)c1C 10193740 KDVGDHHCKVBBAE-NSHDSACASA-N 315.373 2.694 0 40 DFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccccc2C1 44895608 SCXBATYEWDTXGF-UHFFFAOYSA-N 318.380 2.525 0 40 DFAB O=C1N(CC2CC2)CC[C@@]12CCCN(Cc1ccncc1)CC2 108524480 RNEMOKLPKZKTKC-IBGZPJMESA-N 313.445 2.696 0 40 DFAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)NC[C@H]1CCOC1 44953952 WSTZQDDCBBOXJQ-GFCCVEGCSA-N 318.348 2.921 0 40 DFAB COc1ccccc1CNC(=O)Nc1ccc(-n2cccn2)nc1 48140395 LPAVUDCUUZIFSV-UHFFFAOYSA-N 323.356 2.598 0 40 DFAB CSCC[C@@H](NC(N)=O)C(=O)N(C)c1cccc(C(C)C)c1 58323531 KMCKBYZFMDDHRH-CQSZACIVSA-N 323.462 2.563 0 40 DFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC=CCC1 58342988 MTYARYXICVKPOH-MRXNPFEDSA-N 316.401 2.720 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)[C@H]1COc2ccccc2C1 72296934 XUFHYXBCJOOMIR-GOEBONIOSA-N 312.413 2.714 0 40 DFAB O=C(Nc1ccccn1)NC1CCN(C(=O)c2ccccc2)CC1 45273755 STXLGRALCGCLLV-UHFFFAOYSA-N 324.384 2.508 0 40 DFAB CCCc1cc(O)nc(S[C@H](C)C(=O)Nc2cc(C)no2)n1 11001200 XLBVMDWJHXVPCQ-SECBINFHSA-N 322.390 2.550 0 40 DFAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(NC(N)=O)cc1 45782764 PCESTZHDJJRRFL-SNVBAGLBSA-N 301.321 2.807 0 40 DFAB O=C(NCCc1cccc(F)c1)c1cc2ccccc2[nH]c1=O 11714612 IGPREIKJZQJDQZ-UHFFFAOYSA-N 310.328 2.640 0 40 DFAB CC(C)c1nc2n(n1)C[C@@H](NCC1=Cc3ccccc3OC1)CC2 69898498 CRVNZFVGWRYBBW-INIZCTEOSA-N 324.428 2.782 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2CC=CCC2)cc1 13189490 GPKQYBYZTAEILL-UKRRQHHQSA-N 303.358 2.684 0 40 DFAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 8762631 FJHIMZAWRDJUET-UHFFFAOYSA-N 322.408 2.618 0 40 DFAB CCn1ccc(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)n1 13322157 YDJMXQMRRHSXDV-OAHLLOKOSA-N 312.417 2.562 0 40 DFAB O=C(O)CCN(Cc1ccccc1)C(=O)Cc1ccccc1F 13429112 JLNVVXBHWAUGDW-UHFFFAOYSA-N 315.344 2.872 0 40 DFAB COc1cc(CC(=O)N(C)c2ccccc2)cc(OC)c1OC 8745584 PHLCWOBNJFUNAK-UHFFFAOYSA-N 315.369 2.918 0 40 DFAB O=C(CN1CCCCC1)Nc1cccc(Oc2cnccn2)c1 4108370 UMZSIJLNUYSHPL-UHFFFAOYSA-N 312.373 2.693 0 40 DFAB COc1cccc(OC)c1OCC(=O)Nc1cccc(F)c1 5294525 JGSCJIZKVRRTHY-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCc1ccc(Cl)cc1 65474667 UQBHKOWWJAXMTD-OCCSQVGLSA-N 322.836 2.775 0 40 DFAB COc1ccccc1[C@@H](NC(=O)C1CCCC1)c1noc(C)n1 70981897 CMGKDPAPZYPVPT-OAHLLOKOSA-N 315.373 2.782 0 40 DFAB Cc1ccnc(NC[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)c1 65590147 ZQRWXONOEXOHEP-ZDUSSCGKSA-N 313.405 2.584 0 40 DFAB CCOc1ccc(Cl)c(C(=O)Nc2c3c(nn2C)CCC3)n1 65855669 CYQMNYAPGTYNJM-UHFFFAOYSA-N 320.780 2.608 0 40 DFAB CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 6850976 CGJXIZKRVWARDS-ZDUSSCGKSA-N 318.764 2.784 0 40 DFAB CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F 66947204 CXVSZUFYTHSHQC-NUEKZKHPSA-N 304.409 2.872 0 40 DFAB C[C@H](NC(=O)N(C)C1CC1)c1noc(Cc2ccccc2)n1 80200871 RYZSIDCRQAYCNE-NSHDSACASA-N 300.362 2.525 0 40 DFAB CCOc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 15880116 GTESRJVABDZBRH-UHFFFAOYSA-N 317.414 2.782 0 40 DFAB CSCc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 7667232 ZZMBVCNPDXSXIE-UHFFFAOYSA-N 300.383 2.901 0 40 DFAB CCN(CC)C(=O)CSc1nnc(NC(C)(C)C)s1 21762531 FYAOQAZXRPSGRH-UHFFFAOYSA-N 302.469 2.709 0 40 DFAB C/C(=C\C(=O)N[C@H](C)C(=O)NC1CCCC1)c1ccccc1 96054747 QTAWWZRKJKDVEV-XTZCOPOCSA-N 300.402 2.653 0 40 DFAB O=C(O)[C@@H]1CCCN1Cc1cc(F)cc(Br)c1 93996210 JRNOLCSCPVIPNU-NSHDSACASA-N 302.143 2.637 0 40 DFAB CS(=O)(=O)NCCc1ccc(-c2csc(C3CC3)n2)cc1 28334726 JSRRAWLJQUPGLI-UHFFFAOYSA-N 322.455 2.779 0 40 DFAB Cc1nc(-c2ccc(OC(=O)c3ccc4nccn4c3)cc2)no1 71899948 QLJBFZAQHIGESQ-UHFFFAOYSA-N 320.308 2.912 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)c1c[nH]cc1C)CC2 71823556 SHYOKBTYWQNXCH-UHFFFAOYSA-N 314.385 2.581 0 40 DFAB O=C(N[C@H](COc1ccccc1)c1ccccc1)[C@@H]1CCOC1 71886277 FISRJVABWFOFAN-SJLPKXTDSA-N 311.381 2.959 0 40 DFAB CC(C)(CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@@H]1CC=CCC1 71896528 JXFGJEUMIRRDGU-HZPDHXFCSA-N 318.461 2.958 0 40 DFAB COc1cccc(SCC(=O)Nn2cnc3ccccc32)c1 71903740 YTOZZVAZDPEOFE-UHFFFAOYSA-N 313.382 2.907 0 40 DFAB Cc1cncc(C(=O)N(CCN(C)C)Cc2cccs2)c1 84101578 BEOYYTUEODTMMJ-UHFFFAOYSA-N 303.431 2.656 0 40 DFAB NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)c1 95396165 AZIOUVQDXIMWCO-IRXDYDNUSA-N 324.380 2.515 0 40 DFAB COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 95410349 VTRPXTWIASSDIB-UHFFFAOYSA-N 316.748 2.863 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)N3CC[C@](C)(F)C3)o2)cc1 95452190 VCHVITVMMDRQSY-KRWDZBQOSA-N 317.364 2.938 0 40 DFAB Cc1cc(N2CCS(=O)(=O)CC2)c2cc(Cl)cc(C)c2n1 84927247 CBWGNYOXJRJSJN-UHFFFAOYSA-N 324.833 2.740 0 40 DFAB c1ccc(-c2nnc(N3CCC[C@H](c4ccn[nH]4)C3)s2)nc1 95997098 CNDLWXGSQIOVNT-NSHDSACASA-N 312.402 2.707 0 40 DFAB O=S(=O)(Nc1ccncc1F)c1ccc(Cl)cc1F 95994057 UWVNZWYDJBZYLQ-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB C[C@H](Oc1ccccc1Br)C(=O)Nc1ccnn1C 89574068 HMYPMUXGOOXPIC-VIFPVBQESA-N 324.178 2.589 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)NCc1nncn1C1CC1 75134021 WBLSTZRNNOTYGQ-LBPRGKRZSA-N 316.430 2.551 0 40 DFAB Cc1cccc(OCCN(C)CCC(=O)N2CC[C@@H](C)C2)c1 75105079 ULOKYKUXSBCJHT-MRXNPFEDSA-N 304.434 2.564 0 40 DFAB CC(C)Cc1nnc(NC(=O)CN(C)[C@H](C)c2ccco2)s1 89856613 PXLQMXWPLBKWLN-LLVKDONJSA-N 322.434 2.961 0 40 DFAB C[C@]1(NC(=O)Nc2cc(-n3cccc3)ccc2F)CCOC1 89919488 SZAICHQOXQQRMH-INIZCTEOSA-N 303.337 2.917 0 40 DFAB CC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 67831956 BQZQUSAEVVLHBW-CQSZACIVSA-N 310.353 2.720 0 40 DFAB O=C(OCCO)c1cn(-c2ccccc2)nc1-c1ccccc1 21712105 ZDKILJISPBPWST-UHFFFAOYSA-N 308.337 2.688 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@H](c2nccs2)C1 171642402 LZCCETIISMWNFQ-NSHDSACASA-N 303.387 2.567 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 32180924 MAQVNPIYBUKFBC-USTZCAOPSA-N 317.344 2.796 0 40 DFAB COC(=O)c1ccc(NC(=O)NC(=S)c2ccccc2)cc1 408730778 HUBVGVMVIYQQEB-UHFFFAOYSA-N 314.366 2.970 0 40 DFAB O=C(N[C@@H]1CCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 1016057974 NGWCCGRMSYOPSW-MRXNPFEDSA-N 315.804 2.739 0 40 DFAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc[nH]n1 78999380 MQMKKMYOEUPOBB-MRVPVSSYSA-N 310.151 2.578 0 40 DFAB COC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccccc1 32755135 WDUFRIKIXIQYCC-ZDUSSCGKSA-N 305.399 2.667 0 40 DFAB O=C(CC1(O)CCCCC1)NC1(c2ccccc2)CCOCC1 73611740 GOMXNIJZZFHWPL-UHFFFAOYSA-N 317.429 2.894 0 40 DFAB COc1ncc(Cl)c(NCc2nnc(C3CC3)n2C2CC2)n1 127028996 VJPXZFSMGHDBOW-UHFFFAOYSA-N 320.784 2.555 0 40 DFAB CSc1nccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 72203074 XIIOZLKDSAREGL-SNVBAGLBSA-N 311.407 2.587 0 40 DFAB CCS(=O)(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 130367587 DQBJRDVTNYZZHC-UHFFFAOYSA-N 304.362 2.717 0 40 DFAB O=C(NCc1cccs1)c1csc(-c2cnccn2)n1 44123901 YXNUHWLGEFUPCD-UHFFFAOYSA-N 302.384 2.592 0 40 DFAB CCc1cc(CNC(=O)N[C@H](C)[C@H](C)c2ccccc2)[nH]n1 83232199 JOIQDLDKRZFBBJ-QWHCGFSZSA-N 300.406 2.964 0 40 DFAB Cc1cccc(C(C)C)c1NCc1nc(CS(C)(=O)=O)no1 85288047 MOTSNMDVPOWHLP-UHFFFAOYSA-N 323.418 2.658 0 40 DFAB O=C(NCC1=CCCCC1)c1cccc(CN2CCOCC2)c1 224344757 LUHFQXCKEXXKTC-UHFFFAOYSA-N 314.429 2.749 0 40 DFAB CC(C)(C)[C@H](NC(=O)CNC[C@H]1CCCO1)c1ccccc1 195543204 RMLCTUKYYYVCPD-NVXWUHKLSA-N 304.434 2.659 0 40 DFAB C[C@@H](Sc1nnc(C2CC2)s1)C(=O)NCC(F)(F)F 80618065 SWNDVMUAVCXUGP-RXMQYKEDSA-N 311.354 2.575 0 40 DFAB CCCO[C@](C)(C(=O)Nc1ccc(OCCOC)nc1)C1CC1 225912930 IBJXYCRGPMVVOL-KRWDZBQOSA-N 322.405 2.641 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)NC2CCCC2)C1 96193090 BTTVVOSIQOFTSQ-QGZVFWFLSA-N 302.374 2.637 0 40 DFAB O=C(Cn1cccn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 96407414 SJUWPJIEUVOWNF-CQSZACIVSA-N 321.833 2.853 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)CCCO2 579200557 QTPQGFCSUONOEG-SQWLQELKSA-N 302.418 2.761 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)OC1 95408240 RBBMFNUYYFVJMI-RRFJBIMHSA-N 307.434 2.814 0 40 DFAB O=C1NC2(CCCC2)N[C@H]1c1ccc(Br)cc1F 90661473 MIBWGOVZKOZNBP-NSHDSACASA-N 313.170 2.619 0 40 DFAB COc1ccc(C(=O)N2CCC(=Cc3ccccc3)CC2)nn1 95408087 XRVUEDSJODNRNI-UHFFFAOYSA-N 309.369 2.805 0 40 DFAB O=C1NC2(CCCC2)N[C@@H]1c1ccc(Br)cc1F 90661471 MIBWGOVZKOZNBP-LLVKDONJSA-N 313.170 2.619 0 40 DFAB Cc1ccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c(C)c1 96412715 OJYFLEUQQPKAPS-MRXNPFEDSA-N 316.445 2.534 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@@H]1C[C@@H]2C=C[C@H]1C2 96404900 YGAUOQWWEWHPFY-KWCYVHTRSA-N 321.384 2.690 0 40 DFAB CNC[C@H]1CCCN1C(=O)c1cccc(Br)c1C 96482564 FQRYTNXKABOJPE-LLVKDONJSA-N 311.223 2.582 0 40 DFAB CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 96182935 NLUOXVUOTHFFIG-SQNIBIBYSA-N 313.445 2.551 0 40 DFAB COc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)cc1 96049966 WTPXRQYRQQGLDA-GOSISDBHSA-N 302.418 2.672 0 40 DFAB COCc1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 96419991 TVZKVJYZUOFFSE-INIZCTEOSA-N 319.788 2.950 0 40 DFAB Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@@H]3CCCO3)cc2F)c1 96431510 OKRAMOSCGUZARW-WBMJQRKESA-N 317.364 2.676 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC(Cc2ccncc2)CC1 257307503 SYXPZXKYMJNRDC-UHFFFAOYSA-N 316.426 2.725 0 40 DFAB CN(C)c1cccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)n1 257333608 YCGVJQHDNYHYLB-DLBZAZTESA-N 303.450 2.631 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2Nc2ncccc2C)C1 257210113 BTFFITBTWPVNJY-CQSZACIVSA-N 311.389 2.650 0 40 DFAB C[C@H]1CCC[C@@H](C)N1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 253562393 DFHNUGVBUBEOKJ-RWSFTLGLSA-N 322.355 2.860 0 40 DFAB CC(=O)N1CCN(CC2(O)CCCCC2)[C@H](c2ccccc2)C1 257314182 UVQZHJSZFDRMEB-SFHVURJKSA-N 316.445 2.587 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575403324 HZXVPHACFJPNHR-AWEZNQCLSA-N 306.431 2.737 0 40 DFAB Nc1cccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 51630756 ZREDEUUVOWTDKL-INIZCTEOSA-N 302.399 2.625 0 40 DFAB O=C(c1cccc(NC(=O)N2C[C@H]3CC[C@@H]2C3)c1)N1CCCC1 56590411 WDLUZCPKQDLRSH-XJKSGUPXSA-N 313.401 2.939 0 40 DFAB CO[C@@H]1CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 1173416623 XBKGBHXUKRGHGO-MRXNPFEDSA-N 322.836 2.665 0 40 DFAB Cc1nn(C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)c1Br 2776945 KEMSLCJTRKMENS-DTORHVGOSA-N 314.227 2.894 0 40 DFAB Fc1cccc(-c2nnn(Cc3ccc(-n4cccn4)cc3)n2)c1 11225350 JKZOOBNFIWDHEX-UHFFFAOYSA-N 320.331 2.713 0 40 DFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC[C@@H](C)C3)ccc21 12291135 LYFPXGQILICRLL-AUUYWEPGSA-N 316.445 2.751 0 40 DFAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937205 CWCPPFCRAZEKII-UHFFFAOYSA-N 305.337 2.998 0 40 DFAB COc1ccc2c(c1)CCCN(c1cnnc(O)c1Cl)C2 569598348 QWBATUPRBFARCI-UHFFFAOYSA-N 305.765 2.797 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N1CCC(c2c[nH]c3ccccc23)CC1 11261503 RQEOHKHOAIXIGK-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)CC3CC3)C2)nn1 1888843175 VSEPPFLPOCMYAW-CQSZACIVSA-N 317.433 2.802 0 40 DFAB c1cc2sc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)nc2cn1 1889103101 NGVIOKFZAIRFRI-TXEJJXNPSA-N 300.431 2.612 0 40 DFAB C[C@H](Sc1ncc2ccccn12)C(=O)NCc1ccco1 26372027 QPLFUWAYRKCXRO-NSHDSACASA-N 301.371 2.724 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@H]3C)s2)o1 31369955 XTLRQUQTKGPOKD-SECBINFHSA-N 306.387 2.881 0 40 DFAB Cc1cc(OC[C@H]2CCCN(c3ncc(F)cn3)C2)ccn1 1776001202 DVFQXLATQLQZDL-ZDUSSCGKSA-N 302.353 2.615 0 40 DFAB CCCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1 2711637 LLBHOUNRYKRMBV-UHFFFAOYSA-N 312.460 2.640 0 40 DFAB CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 12655906 IAAMVTYAYZLFPZ-ATVHPVEESA-N 324.380 2.521 0 40 DFAB OCc1c(-c2cc3c4c(ccc3cn2)OCO4)ccc2c1OCO2 13434094 GKOMWDNIMJHCDB-UHFFFAOYSA-N 323.304 2.852 0 40 DFAB biogenic CCc1nn2c(ncc3c(=O)[nH]ccc32)c1-c1ccc(F)cc1 19821365 RBKGTXYHAAYQKU-UHFFFAOYSA-N 308.316 2.939 0 40 DFAB Cc1oncc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575609702 DYPDHSQIHJLYOT-GFCCVEGCSA-N 318.354 2.768 0 40 DFAB CCOC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 309670584 SNZJNSPSSLWXSX-UHFFFAOYSA-N 310.586 2.816 0 40 DFAB O=C(O)c1cc(S(=O)(=O)Oc2ccccc2)ccc1Cl 13074086 DOMLHZSVTFTQTB-UHFFFAOYSA-N 312.730 2.806 0 40 DFAB CCCCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1 30252349 NCHLLDDKGMZMDT-HUUCEWRRSA-N 304.438 2.778 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 40107334 VBYVYTFWBSAWEY-HOCLYGCPSA-N 321.465 2.609 0 40 DFAB COC[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 20102781 MRNQCLVYFJPPFI-ZDUSSCGKSA-N 324.852 2.703 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCSCC3)c12 40542108 ZSZXWHXZBZSARY-UHFFFAOYSA-N 303.387 2.598 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 20720232 GXTTVYXBQAAFKD-GFCCVEGCSA-N 313.332 2.521 0 40 DFAB COc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c1 345766 YFBNHCLSKKNWGJ-HZPDHXFCSA-N 311.337 2.938 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29796442 QEKWWEVXIQJLET-ZYHUDNBSSA-N 317.414 2.727 0 40 DFAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 18198522 XCXCDJANVXRMHQ-UHFFFAOYSA-N 309.774 2.501 0 40 DFAB CSc1nc(O)nc(C)c1C(=O)N1CCC(C(C)C)CC1 81957362 IYVVNGKMBPOPRG-UHFFFAOYSA-N 309.435 2.721 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NO[C@H]2CCCCO2)c1 78764714 WMVGGZPCZSRNKF-INIZCTEOSA-N 304.390 2.783 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)c2ccccc2c1OC(C)=O 1670125 BDYYPHXDNARYRD-UHFFFAOYSA-N 300.314 2.682 0 40 DFAB O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCOC1 97055892 QMJAAYJUJQQBST-WRWORJQWSA-N 309.234 2.721 0 40 DFAB Cc1cc([C@@H]2CCCN([C@@H](C)c3nc(C4CC4)no3)C2)n[nH]1 78901007 UAZUWDMLONBGLS-WCQYABFASA-N 301.394 2.919 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 32986254 OSUCBUQTFBFEJW-WBVHZDCISA-N 314.429 2.988 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@H](C)Cc2ccccc2SC)C1 97084632 HDPVMBSBGOIKJT-HIFRSBDPSA-N 321.490 2.733 0 40 DFAB CC(=O)Nc1ccccc1SCC(=O)Nc1nccs1 6296188 RIQNGEUKHPUNQH-UHFFFAOYSA-N 307.400 2.832 0 40 DFAB CCc1nnc2c(NCc3cccnc3)nc3ccccc3n12 7504134 JVNJQNMGZLZUQC-UHFFFAOYSA-N 304.357 2.847 0 40 DFAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccc(C)o3)c2)n1 97010654 QATWIJJNCNJCJF-UHFFFAOYSA-N 310.309 2.866 0 40 DFAB CCc1n[nH]c(SCc2cc(=O)c3cc(F)ccc3[nH]2)n1 8619624 BWHSCINAFJQQBM-UHFFFAOYSA-N 304.350 2.640 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100255331 XWKDFGTZUGEMJE-QZTJIDSGSA-N 315.369 2.950 0 40 DFAB O=C(Cc1ccccc1F)NCCCc1nc2ccccc2[nH]1 22488028 YWUXSJLDSOFIQI-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB COCCc1nnc2sc(-c3cc4ccccc4o3)nn12 8392683 OFQSLJFLHIFYQN-UHFFFAOYSA-N 300.343 2.788 0 40 DFAB Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)nc1 12534665 OKSALNAYJJORFY-UHFFFAOYSA-N 311.263 2.978 0 40 DFAB COc1ccccc1CN(C)C(=O)c1ccc(-n2cccn2)nc1 42683227 KCIAJPRJTMUHAZ-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB COc1ccc(C(N)=O)c(OCCOc2cccc(Cl)c2)c1 23659086 XBNHNTNUPOZNQP-UHFFFAOYSA-N 321.760 2.905 0 40 DFAB C1=C2CN3CC[C@@]45c6ccccc6N6CC[C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@@H]35 103845228 AGRTUYYPROFOFX-FHYBNVNPSA-N 320.436 2.566 0 40 DFAB CCOC(=O)c1ccoc1COC(=O)c1ccc2cn[nH]c2c1 25787934 RKFFVOZHHHTXPN-UHFFFAOYSA-N 314.297 2.690 0 40 DFAB Cc1ccn2c(=O)cc(CSc3ncc4ccccn34)nc2c1 26371623 JINSGCWNMGJTQU-UHFFFAOYSA-N 322.393 2.943 0 40 DFAB O=C(c1cc(F)ccc1F)C1CCN(C(=S)NC2CC2)CC1 44182432 HABIVQBKJPPNQS-UHFFFAOYSA-N 324.396 2.896 0 40 DFAB O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCc2ccccn2)C1 108128433 UKNOXRPRCGBSPS-PBHICJAKSA-N 304.340 2.710 0 40 DFAB Cc1ccsc1C(=O)NC[C@H](O)CO[C@H](C)c1ccccc1 58248861 LYHFZCMGKDYAAQ-HIFRSBDPSA-N 319.426 2.925 0 40 DFAB COCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221078 OVMOYXKFTCNZLF-HNNXBMFYSA-N 324.852 2.705 0 40 DFAB CN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1F 58356231 CKZYPMJPBJRRLZ-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB O=C(NCCCC1CCCC1)N1CCN(c2nccs2)CC1 45041787 JSNRNCVXGOEICL-UHFFFAOYSA-N 322.478 2.945 0 40 DFAB Cc1nnc(NC(=O)COc2ccccc2C(F)(F)F)s1 10879484 WUKIVPBETWCYBK-UHFFFAOYSA-N 317.292 2.883 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C 69493827 MWFVZLDYGWVTCL-MRXNPFEDSA-N 316.445 2.928 0 40 DFAB O[C@@H](CN1CCC(CNC2CCCC2)CC1)c1ccccc1 69486007 HLCKUPPGWFAZQI-IBGZPJMESA-N 302.462 2.964 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 36744018 VZLWYBHABFYQAJ-UHFFFAOYSA-N 312.369 2.714 0 40 DFAB CCc1nnc(NC(=O)CCCc2nc3ccccc3[nH]2)s1 29258668 FBKMIPYXJMNWOD-UHFFFAOYSA-N 315.402 2.938 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(F)c(F)c1 3405229 LEGCCJUCTXQKMH-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1C 3487402 UXDHVULKDGJYGO-HNNXBMFYSA-N 316.401 2.761 0 40 DFAB O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)CCC2=O)cc1 3565584 JABWYOWHKCGWKJ-UHFFFAOYSA-N 312.300 2.731 0 40 DFAB CN(C)c1ncccc1CNCc1cccc2c1OCCCO2 48712378 FAYFIQWIXMBDBM-UHFFFAOYSA-N 313.401 2.599 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCc2sccc2[C@H]1C 13007043 NHRFSTUJQZMIDT-SECBINFHSA-N 312.416 2.661 0 40 DFAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(C)=O)C1=O 8428437 QLAOTIQZJHDTTA-KRWDZBQOSA-N 320.364 2.742 0 40 DFAB Cc1cc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)on1 69519714 DAMIHBXSMCNYSP-UHFFFAOYSA-N 317.736 2.778 0 40 DFAB CCCCc1ccc(CC(=O)N2CCC(CC(N)=O)CC2)cc1 49394024 QWCSLTFRADUHMP-UHFFFAOYSA-N 316.445 2.686 0 40 DFAB CC(=O)Nc1ccccc1C(=O)OCc1ccc2c(c1)OCO2 24522995 CNVBIZKMYCXXNG-UHFFFAOYSA-N 313.309 2.731 0 40 DFAB CCO[C@@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccccc1 69707615 BXROTFOUNUAWKO-IAGOWNOFSA-N 313.401 2.824 0 40 DFAB CCc1cccc(CC)c1Nc1nnc(SCC(N)=O)s1 14094038 SWDUCJRZICHVEF-UHFFFAOYSA-N 322.459 2.984 0 40 DFAB CC(C)CCN(C(=O)C[C@@H](NC(N)=O)c1cccs1)C1CC1 65591976 DYUCDDWRAOCEBL-CYBMUJFWSA-N 323.462 2.885 0 40 DFAB CCOC(=O)C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1 6507108 JOMGFWWPAHEISO-UHFFFAOYSA-N 313.401 2.852 0 40 DFAB C[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(N)=O 7035935 WBVDLWLRIKVAPF-SNVBAGLBSA-N 303.745 2.824 0 40 DFAB CCC(CC)NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 7057399 ZVUPCKRMWDIATI-HNNXBMFYSA-N 308.397 2.885 0 40 DFAB COc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OC 7407496 MPNQARSNHZPDKI-UHFFFAOYSA-N 305.359 2.685 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7639004 RTTJSEUASPXGPZ-AWEZNQCLSA-N 312.344 2.813 0 40 DFAB CC(C)C[C@@H](C)N(C)C(=O)c1ccc(-c2ccncc2)[nH]c1=O 69001308 IPLCIYWNPWKREM-CYBMUJFWSA-N 313.401 2.944 0 40 DFAB CC1(C)CN(C(=O)Nc2ccc(Cn3cccn3)cc2)CCO1 69200926 WQHYHCAZSQGFRP-UHFFFAOYSA-N 314.389 2.574 0 40 DFAB COc1ccc(C(=O)NCCOc2cccc(C)c2)c(F)c1 8279631 CQDITPZDSCAFSK-UHFFFAOYSA-N 303.333 2.952 0 40 DFAB CC[C@](C)(NC(=O)c1cccc2c1OCCO2)c1nccs1 96416606 OWDSCDITKCRRJZ-INIZCTEOSA-N 318.398 2.970 0 40 DFAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccoc1 96473299 SESMNNHLTVODPK-UHFFFAOYSA-N 300.236 2.502 0 40 DFAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccc[nH]2)n1 71818781 OLNZEKAGMPQLGQ-CYBMUJFWSA-N 316.405 2.992 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccno1 71893084 YAMPLFUBTRLXIP-TZMCWYRMSA-N 309.410 2.942 0 40 DFAB Cc1nc2n(n1)C[C@H](Nc1ncnc3sc(C)c(C)c13)CC2 71874972 RCVRYALVAMLWHC-LLVKDONJSA-N 314.418 2.635 0 40 DFAB CN(C)[C@H](CNC(=O)Nc1ccccn1)c1c(F)cccc1F 71909158 LVACRASJKSVXIV-CYBMUJFWSA-N 320.343 2.784 0 40 DFAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3c(C)cccc3C)[C@H]2C1 95438280 TWSXWVDDIXMJCK-PMPSAXMXSA-N 303.402 2.712 0 40 DFAB O=C(NC[C@@H](CO)c1ccccc1)c1c(F)cc(F)cc1F 95416038 KIOFUGYWAUJKRV-NSHDSACASA-N 309.287 2.610 0 40 DFAB Cc1cccc(NC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c1 95980133 AKRDLJZJERDLIP-HNNXBMFYSA-N 314.389 2.940 0 40 DFAB O=C(O)CCCCCCNCc1cnn(-c2ccccc2)c1 95997734 LEJMTSYXFHYZPX-UHFFFAOYSA-N 301.390 2.997 0 40 DFAB O=C(NCCCOC[C@@H]1CCOC1)N[C@H]1C[C@H]1C1CCCCC1 89818278 VSELFXUSIJNXFR-XIRDDKMYSA-N 324.465 2.698 0 40 DFAB O=C(N[C@@H]1CCCc2occc21)N1CCC[C@@H]1CN1CCCC1 89885103 OQTCXXRFMPIYKU-GDBMZVCRSA-N 317.433 2.927 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1 89938700 BQVGXSOZKJFNCY-AWEZNQCLSA-N 311.385 2.650 0 40 DFAB COc1nn(C)cc1NC(=O)N1CC2(CCC2)c2ccccc21 515345662 JGACELOCWFWLDH-UHFFFAOYSA-N 312.373 2.903 0 40 DFAB c1csc(-c2noc(CN3CCOC[C@H]3C3CCC3)n2)c1 516925644 WCUMRHKMDDDYOI-LBPRGKRZSA-N 305.403 2.799 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 78664698 IUPJGEUHCOYNAW-CQSZACIVSA-N 324.302 2.872 0 40 DFAB COc1ccccc1CNC(=O)CCn1nc(C)c(Cl)c1C 32611383 FMQDVZDUBWMWHT-UHFFFAOYSA-N 321.808 2.868 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@H]1c1ccccc1 218061417 LWUQMQUMQLZFBY-BZUAXINKSA-N 322.813 2.888 0 40 DFAB Cc1nnc(NC(=O)c2c(C)c3ccccc3oc2=O)s1 38490177 IPESZUFPXWZGHB-UHFFFAOYSA-N 301.327 2.514 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 32096254 SDLBDCQVVSUKAX-UHFFFAOYSA-N 318.336 2.517 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2c1C(=O)CC(C)(C)C2 39851843 MOEQRYZIFFBUOK-GHMZBOCLSA-N 319.401 2.993 0 40 DFAB CO[C@@H]1C[C@@H](NC(=O)Cc2nsc3ccccc23)C12CCC2 564862159 GYVJQNPGEOBCEG-HUUCEWRRSA-N 316.426 2.913 0 40 DFAB COc1ccc(-c2nnc(-c3ccc(OC)c(N)c3)o2)cc1N 73634459 MTMWAZRVALFTLU-UHFFFAOYSA-N 312.329 2.585 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 566680295 DRQYFPVACXHHDN-SWLSCSKDSA-N 321.348 2.555 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)NC3CCCC3)CCC(=O)N2C)cc1 72239420 WDLOGAUZYLYPFT-SJLPKXTDSA-N 314.429 2.963 0 40 DFAB Cc1nn(C)c(C)c1CCCNC(=O)c1c[nH]c2ccccc12 225548003 OZTRYKZYOANNQV-UHFFFAOYSA-N 310.401 2.881 0 40 DFAB C[C@@H](NC(=O)c1conc1C(C)(C)N)c1cccc(F)c1F 568293101 FQCFXGKWWDWYBH-MRVPVSSYSA-N 309.316 2.638 0 40 DFAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](Oc2cnccn2)C1 225472441 UAOJLMUQBORLNC-OAHLLOKOSA-N 322.368 2.642 0 40 DFAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 44790678 DMFUNSOHRRCITG-UHFFFAOYSA-N 302.418 2.716 0 40 DFAB Cc1cc(C(=O)NCC2=CCCCC2)ccc1NS(C)(=O)=O 224086325 FUHKBDCFMNBEBX-UHFFFAOYSA-N 322.430 2.597 0 40 DFAB Cc1cc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)no1 226747434 BQZBBWIOOFCWOR-OAHLLOKOSA-N 303.293 2.644 0 40 DFAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4ccc(C)s4)C[C@H]3O2)n1 96215564 AINUJDLTWFDBML-KCQAQPDRSA-N 319.430 2.580 0 40 DFAB CO[C@H]1COC2(CCN(C(=O)CCc3ccccc3C)CC2)C1 96106531 MXOBTSRPWFBOAZ-QGZVFWFLSA-N 317.429 2.724 0 40 DFAB CCc1nc([C@H](C)NCc2noc(C3CCOCC3)n2)cs1 97374497 MGALURBIWLDCCR-JTQLQIEISA-N 322.434 2.833 0 40 DFAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1COc2ccccc21 96467448 UGMVJWBZWSYURU-XKQJLSEDSA-N 311.381 2.791 0 40 DFAB CCN(CC)c1ncc(CN2CC[C@@H]3OCCC[C@@H]3C2)s1 93504877 RHPAYJOOPHGBEA-HIFRSBDPSA-N 309.479 2.990 0 40 DFAB O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1ccco1)C2 96224514 BMGTTZCSKHICGR-SFHVURJKSA-N 311.385 2.694 0 40 DFAB CCOc1cc(C(=O)Nc2cccnc2N2CCCC2)ccn1 96409831 ITAYODDECQSGQJ-UHFFFAOYSA-N 312.373 2.728 0 40 DFAB Cc1cccc(N2CC[C@]3(CCCN(c4ncccn4)C3)C2)n1 96071622 ICPDERWVXKFAKB-GOSISDBHSA-N 309.417 2.677 0 40 DFAB COC(=O)CCCN(C)C(=O)c1cc(C)ccc1N1CCCC1 96408064 XUHVICYZJVJGIK-UHFFFAOYSA-N 318.417 2.620 0 40 DFAB CC(=O)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594077 OQOXUCROLVTFLI-UHFFFAOYSA-N 316.304 2.925 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3OC)n2)cc1 95533714 AWAAKGIXVMVXRW-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB CCOc1ccc(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 238283249 IWXCMECHTAJTRX-CYBMUJFWSA-N 323.389 2.996 0 40 DFAB CCOc1cc(CCCNC(=O)c2cscn2)ccc1OC 96412222 ZVAKRYWOWGDOGI-UHFFFAOYSA-N 320.414 2.913 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1Cc2cncnc2C1 96098278 YPUKHMMDYNWHMZ-UHFFFAOYSA-N 317.776 2.830 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2Cc2ccnc3ccccc23)n1 257291585 QHQAORSEDOBFSU-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB Cc1cc(N)cc([C@H]2CN(Cc3sccc3C)CCO2)n1 257200924 AFJCFTGELZREOQ-OAHLLOKOSA-N 303.431 2.916 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257292785 QMYMKSDFZMNXAL-MRXNPFEDSA-N 307.357 2.639 0 40 DFAB Fc1cccnc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257268026 MJYGYQJANKYHJA-CYBMUJFWSA-N 311.364 2.872 0 40 DFAB CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1 257317278 VJCHURIBBONXRN-HIFRSBDPSA-N 308.809 2.776 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@H]2c2ccc(F)cc2)cc1 252515480 KJTHRZUGMDHPDK-BRWVUGGUSA-N 319.401 2.649 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(C)o1 96096405 AXNKIUQXEHTNCE-QGZVFWFLSA-N 312.369 2.852 0 40 DFAB COCC[C@H]1CN(C(=O)c2ccccc2F)Cc2cccn2C1 585095199 HMFAZHILWMYTOU-CQSZACIVSA-N 316.376 2.936 0 40 DFAB Cc1cc(O[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)nc(C)n1 585147506 YHVKUBWITRVHNJ-IJDCCNJMSA-N 323.396 2.787 0 40 DFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)C(C)C 56650623 BOHFPVNESKUFPS-NSHDSACASA-N 307.394 2.563 0 40 DFAB CCN(CC)CCNCc1cc(=O)oc2cc3c(cc12)CCC3 97759142 VJOXKQGHVHBQTL-UHFFFAOYSA-N 314.429 2.713 0 40 DFAB O=C(NCc1ccc(F)cc1)N1CCCN(C2CCC2)CC1 826588241 TYJLDVAXTXMWSH-UHFFFAOYSA-N 305.397 2.596 0 40 DFAB COc1cccc(CN2CCC(O)(c3cccnc3F)CC2)c1 12329704 JDRHKNTUXAJZTR-UHFFFAOYSA-N 316.376 2.713 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C)cc(C(=O)OCC)c1 12763063 SGRORVRNNPYXDZ-IINYFYTJSA-N 319.357 2.635 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1 19748347 WURUIRAWQKYFLR-AWEZNQCLSA-N 304.434 2.994 0 40 DFAB Cc1cnccc1O[C@H]1CCN(Cc2nc3c(s2)CCC3)C1 1889091758 UHIUVVFOMIIKSW-ZDUSSCGKSA-N 315.442 2.989 0 40 DFAB Cc1nc(CC(=O)N2CCC(Cc3ccncc3)CC2)cs1 1848352136 AVVFWXVSZQCAOK-UHFFFAOYSA-N 315.442 2.870 0 40 DFAB CC(C)N1C(=O)C[C@H]2[C@H](CNC(=O)c3ccccc3)[C@@H](C)C[C@H]21 1775964228 XRNIYHPRVLEQDN-QMCVQRASSA-N 314.429 2.698 0 40 DFAB biogenic,in-vitro Cc1nc(C2CCOCC2)cc(=NCc2c(F)cccc2F)[nH]1 2086968368 NWDSWXAMUTXIQM-UHFFFAOYSA-N 319.355 2.991 0 40 DFAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1cccs1 11768688 FNWBJDVWLPVBQG-UHFFFAOYSA-N 319.411 2.995 0 40 DFAB Cc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCC3)s1 36708636 ZVECMKIYDZKNFS-UHFFFAOYSA-N 312.398 2.929 0 40 DFAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2ncccc2c1 585149893 YCHLXCVTCLABEP-DZGCQCFKSA-N 311.385 2.582 0 40 DFAB CCOc1ccc(NC(=O)NCC2(OCCO)CCCC2)cc1 952964492 CXAZJCZJCPEMJU-UHFFFAOYSA-N 322.405 2.529 0 40 DFAB CCc1nc2c3cnn(-c4ccc(C)c(Cl)c4)c3ncn2n1 540875 AXJZTPCSLYOGHR-UHFFFAOYSA-N 312.764 2.987 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OC(F)(F)F)cc1)[C@H]1C=C[C@H]2C1 100147891 BQXDISRMDRICIN-VDUILEQBSA-N 323.270 2.897 0 40 DFAB O=c1c2cn(Cc3cccnc3)ccc-2nn1-c1ccccc1 30822972 PDAAKEOFUUICKJ-UHFFFAOYSA-N 302.337 2.582 0 40 DFAB Cn1ncc2c(NCc3ccsc3-n3cccc3)ncnc21 40555844 GBRQNDWBODQDHH-UHFFFAOYSA-N 310.386 2.828 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccc(F)cc1Cl)C(=O)N(C)C 40536289 CZKXTQLGDMTPNK-CYBMUJFWSA-N 314.788 2.712 0 40 DFAB Cc1noc(C)c1C(=O)NCc1ccc(N2CCCCC2)nc1 40539484 UUZFDBLLAOKZFN-UHFFFAOYSA-N 314.389 2.607 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3ncccc3C)CC2=O)cc1C 806810 YCKUOIPMYGIKES-OAHLLOKOSA-N 323.396 2.998 0 40 DFAB Cc1sc2nc(S[C@@H](C)C(=O)NC3CC3)nc(N)c2c1C 46581223 BYRSBYGVKBXHRV-QMMMGPOBSA-N 322.459 2.650 0 40 DFAB CCc1noc(C)c1C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 76248627 CCXNSRPLELXAJC-QWHCGFSZSA-N 324.446 2.672 0 40 DFAB CSCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)O 1604718 ZXLLYHLDVWBPIX-SNVBAGLBSA-N 302.783 2.668 0 40 DFAB biogenic CO[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)c1ccccc1 77634864 UYZDYIJTQBIURD-GDBMZVCRSA-N 321.323 2.502 0 40 DFAB O=C(Nc1cccc2c1CCCC2)c1cnc(-n2cccn2)cn1 79110262 IPDKEYLKEQABNF-UHFFFAOYSA-N 319.368 2.793 0 40 DFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C 2516181 BUNKHVSLHKZVFF-AWEZNQCLSA-N 306.406 2.852 0 40 DFAB CCSc1nnc(NC(=O)Cc2ccccc2OC)s1 3592241 KBDSAKLDINFEEC-UHFFFAOYSA-N 309.416 2.840 0 40 DFAB CN(CC(=O)N(C)C)Cc1coc(-c2ccc(Cl)cc2)n1 52796828 LIYJRBFGHFTZJE-UHFFFAOYSA-N 307.781 2.515 0 40 DFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccoc1 47087605 WXUAXDUGQWGHHD-CQSZACIVSA-N 316.357 2.651 0 40 DFAB Cc1cc(C)n(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 503652 OTQXIJKIONXEHH-UHFFFAOYSA-N 313.401 2.868 0 40 DFAB Cc1nc(/C=C/C(=O)NCCCc2nc(C(C)C)no2)cs1 61457639 CITDIHNOBQAVCX-VOTSOKGWSA-N 320.418 2.720 0 40 DFAB Clc1ccccc1[C@H]1C=C(c2cccnc2)Nc2nnnn21 2918946 REFDWIVQIDZQQX-CQSZACIVSA-N 310.748 2.778 0 40 DFAB CCc1cccc2c(C(=O)COC(=O)[C@H]3CCCO3)c[nH]c12 22709678 MLWKVQQYFDBXMB-OAHLLOKOSA-N 301.342 2.635 0 40 DFAB CC(C)Oc1ncc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Cl 54056235 QZLJMJBAFVKGLD-GHMZBOCLSA-N 312.797 2.772 0 40 DFAB O=c1[nH]c(CN2CCC[C@@H](C(F)(F)F)C2)nc2ccsc12 23640956 FCDQJJLKSBRCPI-MRVPVSSYSA-N 317.336 2.759 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(F)cc(F)c1 54535115 MTIOIPCPWDEYQC-UHFFFAOYSA-N 318.201 2.924 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)C2CC2)c2nc3n(c2n1)CCCCC3 25595739 HAJIEDLWENFGQT-LBPRGKRZSA-N 312.417 2.994 0 40 DFAB CCCC(=O)N1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1 56278742 YYTPFIHNWHOZPU-LBPRGKRZSA-N 321.446 2.998 0 40 DFAB CSCC[C@@H](NC(=O)CSC)c1nc2ccccc2[nH]1 44193542 BJYPMIXSAQUUQS-GFCCVEGCSA-N 309.460 2.836 0 40 DFAB O=C1/C(=C\c2cccc(O)c2)NC(=S)N1C1CCCCC1 104061853 AIQKUUUDZNJEKP-GXDHUFHOSA-N 302.399 2.783 0 40 DFAB Cc1ccc(CCC(=O)NCc2nnc3n2CCCCC3)cc1 48291090 MYINYCKUEYPASY-UHFFFAOYSA-N 312.417 2.562 0 40 DFAB Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccccc1 108639858 PAOYCNPETQCUJL-UHFFFAOYSA-N 307.419 2.810 0 40 DFAB CCN(C(=O)CNc1cccc(C(=O)OC)c1)c1ccccc1 57722622 READVMUXXXUOJD-UHFFFAOYSA-N 312.369 2.938 0 40 DFAB NC[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 44540807 ZMGWVQDNCOUMED-SNVBAGLBSA-N 315.186 2.542 0 40 DFAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1sc(C)nc1C 44896457 LBOLMRODZBWWMH-UHFFFAOYSA-N 316.382 2.749 0 40 DFAB CCN1CCC[C@@H](CNC(=O)CCc2ccc(OC)c(F)c2)C1 58289595 CRLJUXLSMPNVLW-HNNXBMFYSA-N 322.424 2.615 0 40 DFAB O=C(OCCN1CCCC1=O)c1cc(C(F)(F)F)ccc1F 97015287 QQFYERSUILHLBN-UHFFFAOYSA-N 319.254 2.624 0 40 DFAB CO[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20238679 CDXSPWSFUARVGQ-IBGZPJMESA-N 324.424 2.719 0 40 DFAB CN(C)c1ncccc1CNC(=O)[C@H]1CCCc2ccccc21 44935286 ASLAJRKETKKGGJ-KRWDZBQOSA-N 309.413 2.884 0 40 DFAB CSc1nsc(SCCC(=O)Nc2cc(C)on2)n1 22263791 QTTSRXQEIWGNID-UHFFFAOYSA-N 316.433 2.677 0 40 DFAB COc1ccc(C)cc1NC(=O)CCNC(=O)c1ccsc1 12771409 YRNIBJOXTDRTFQ-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB O=C1OCC[C@@H]1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 48314885 TYRPSKRGXFNRAH-INIZCTEOSA-N 300.333 2.712 0 40 DFAB CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 36841342 UZDUQYQXYAEWKX-WFASDCNBSA-N 308.397 2.741 0 40 DFAB Cc1nc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c(Cl)cc1Cl 3425768 SYADVSLPWYLXJK-XPUUQOCRSA-N 317.172 2.835 0 40 DFAB O=C(COC(=O)/C=C/c1cccc(F)c1)NCc1cccs1 3512695 OMKRNIMICAUOAV-VOTSOKGWSA-N 319.357 2.760 0 40 DFAB O=C(NCCc1nnc2ccccn12)c1ccc2ccccc2c1 13003050 YMJGXJWSSBDTHO-UHFFFAOYSA-N 316.364 2.855 0 40 DFAB COc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 3874807 UYLQOGTYNFVQQX-UHFFFAOYSA-N 300.266 2.585 0 40 DFAB biogenic,in-vitro C[C@H](NC(=O)COc1c(C(=O)O)ccc2ccccc12)C1CC1 13319578 LRHNADJXSJHDPP-NSHDSACASA-N 313.353 2.832 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1 71800086 UTLCARQLFGWDTF-UHFFFAOYSA-N 324.428 2.871 0 40 DFAB CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 4121565 DCBHKZUKOFLJDR-UHFFFAOYSA-N 324.336 2.826 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1cccs1 6363831 IEQINRSKXGNGJW-NSHDSACASA-N 318.398 2.824 0 40 DFAB Cc1ccc(S(=O)(=O)NCCCN(C)C2CCCCC2)cc1 28049754 OHNQSGVHOCILFW-UHFFFAOYSA-N 324.490 2.928 0 40 DFAB COC(=O)c1sc2nc(C)nc(NC[C@H]3CCOC3)c2c1C 65610314 NMLGOCJEHFXELG-SNVBAGLBSA-N 321.402 2.543 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCCN1C(=O)c1ccccc1 65627054 LNUAIDXRBOJEJJ-INIZCTEOSA-N 309.369 2.715 0 40 DFAB COc1ccc([C@@H]2CCCN2Cn2ncn(C)c2=S)cc1 14210695 CSQQYZOUKJVXMR-AWEZNQCLSA-N 304.419 2.754 0 40 DFAB COC(=O)c1ccc(OC(=O)c2cc(=O)[nH]c3ccccc23)cc1 6618175 PPNPGNQGUAEMFY-UHFFFAOYSA-N 323.304 2.534 0 40 DFAB Nc1nc(/C=C/c2ccccc2O)nc(-c2ccccc2O)n1 6764454 FQGIWZQHNIIADU-MDZDMXLPSA-N 306.325 2.702 0 40 DFAB COc1ccc(CCCNC(=O)NCc2ccoc2)cc1OC 69350558 LVWDUPPCJKZDSY-UHFFFAOYSA-N 318.373 2.729 0 40 DFAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1nccc2ccccc12 69437025 FNRFUAJGKWOVIG-UHFFFAOYSA-N 316.320 2.724 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 69581780 CABIMBYSUUWBNW-UONOGXRCSA-N 320.458 2.631 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 69743080 UJRDOBKFOIJOPK-ZDUSSCGKSA-N 309.373 2.545 0 40 DFAB CNC(=O)c1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1 93942177 XBZWDEDQMLOBAT-CQSZACIVSA-N 311.429 2.963 0 40 DFAB CC(C)n1ccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)n1 72300316 DCIOJGDFCBRPOT-CYBMUJFWSA-N 318.446 2.869 0 40 DFAB Cc1cc(C)nc(NCC2(N3CCSCC3)CCCC2)n1 97286629 SFMKPLLCXFABRQ-UHFFFAOYSA-N 306.479 2.867 0 40 DFAB CCN1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2)[C@H](C)C1 84780009 XFOIXMRQNJCTNB-CJNGLKHVSA-N 305.422 2.889 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1)[C@H](O)c1c(F)cccc1F 95403834 XZBGEACGRXXAKA-XPTSAGLGSA-N 307.300 2.603 0 40 DFAB CC(=O)NC1(c2noc(Cc3c(F)cccc3F)n2)CCCC1 95410242 CUFFRXUKDZEIDJ-UHFFFAOYSA-N 321.327 2.844 0 40 DFAB O=C(Cc1ccon1)N1CCOc2ccc(C(F)(F)F)cc21 95415828 CSBONPYUUAAPLT-UHFFFAOYSA-N 312.247 2.662 0 40 DFAB FC(F)COCc1nn(CC(F)F)cc1Br 408715950 HBQNHAATMCOAIS-UHFFFAOYSA-N 305.069 2.692 0 40 DFAB Cc1cc(=O)c(C(=O)N2CCSC[C@H]2c2ccccc2)c[nH]1 73730754 OYRBOKMHUWDVSC-HNNXBMFYSA-N 314.410 2.614 0 40 DFAB CCCCc1nc2cc(NC(=O)C3(C(=O)O)CC3)ccc2[nH]1 95993699 QEVNTNHYKZKXKQ-UHFFFAOYSA-N 301.346 2.709 0 40 DFAB C[C@H](CC(=O)c1cccs1)NC(=O)Cc1ccc(O)cc1 95979602 FPKDQKNCLBXHNZ-LLVKDONJSA-N 303.383 2.774 0 40 DFAB COC(=O)C1CCN(c2ncc(Br)cc2C)CC1 75094351 GXIQZYYBESXTOG-UHFFFAOYSA-N 313.195 2.542 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 75119359 AAPBQEHKBZOBNU-OAHLLOKOSA-N 300.333 2.800 0 40 DFAB CC(C)Oc1cccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)c1 75244327 WWFPXJARVFWAQZ-VOTSOKGWSA-N 317.385 2.810 0 40 DFAB CCOCc1ccccc1CNC(=O)CN1C[C@H]2CCC[C@@H]2C1 89988682 ICXFIKGTNLQQKD-IAGOWNOFSA-N 316.445 2.571 0 40 DFAB O=C(CSc1ncnc2[nH]cnc12)Nc1ccc2cc[nH]c2c1 524735451 CVTNLLZWRFJYQJ-UHFFFAOYSA-N 324.369 2.565 0 40 DFAB N[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218485196 XSPYTTKCFOPLHJ-KKUMJFAQSA-N 307.802 2.607 0 40 DFAB CCCCc1nc(CN2C(=O)C[C@@](C)(CC(C)C)C2=O)no1 77241309 OEMWUOZHKJJFAJ-MRXNPFEDSA-N 307.394 2.724 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2N1 72326999 ZBIPHTZCFRIKQW-QDTBLXIISA-N 314.385 2.538 0 40 DFAB CCN(Cc1ccc(Br)cc1)C(=O)[C@@H](N)C(C)C 79420615 VQSYKQKFKKRMNA-ZDUSSCGKSA-N 313.239 2.781 0 40 DFAB CCCCc1ncc(C(=O)O)n1Cc1ccc(C(=O)O)cc1 33980829 VMQWKSFYHZLXIB-UHFFFAOYSA-N 302.330 2.670 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccc(Cl)cc1 218489240 WVMDEDLCYIQWFS-HRCADAONSA-N 322.813 2.888 0 40 DFAB CCN(CC)C(=O)CCC1CCN(c2nc(C)cnc2C)CC1 184148895 DEVQBTSQNFSLRU-UHFFFAOYSA-N 318.465 2.958 0 40 DFAB COc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1OC 431031291 XLYGKRRBJBKQEA-UHFFFAOYSA-N 311.345 2.922 0 40 DFAB CCn1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)c(C)n1 72325134 BHJSAFAPRQTZGK-IRXDYDNUSA-N 322.522 2.613 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)N1CCOc2ccccc21 71557785 ASSIWHNGYJNUTR-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB O=C(O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31773278 HVSQFRACYCBJMI-LLVKDONJSA-N 304.371 2.825 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC(Oc3ncccc3C)CC2)o1 562449562 MWRBZRCTCCJRCM-UHFFFAOYSA-N 315.373 2.678 0 40 DFAB O=C(C[C@H]1OCCc2ccccc21)NCC1(O)CCCCC1 75209804 UHNRZJWKENWJHZ-MRXNPFEDSA-N 303.402 2.502 0 40 DFAB CCOC(=O)C(F)(F)[C@@H](O)c1ccccc1Br 40539616 WDAILHUQUDFFSL-VIFPVBQESA-N 309.106 2.681 0 40 DFAB CCOc1ccc(N2Cc3nc(N4CCCC4)ncc3C2=O)cc1 41123069 AGUBUBNIUUSQFY-UHFFFAOYSA-N 324.384 2.636 0 40 DFAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COCC(C)C 224446749 HLDIBROPYNQRCS-MRXNPFEDSA-N 321.417 2.777 0 40 DFAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H]1COCCN1 195543336 SSUHCJBEDXNFJY-CQSZACIVSA-N 324.808 2.588 0 40 DFAB CN(C)C[C@@H]1C[C@@H]2CN(Cc3ccco3)CC[C@@H]2N1CC1CC1 96185575 IZEVTOHTKFASDX-AOIWGVFYSA-N 317.477 2.516 0 40 DFAB CC(C)Sc1n[nH]c(NC(=O)c2cnn(C(C)(C)C)c2)n1 96423918 ROISUCPCCGPVFI-UHFFFAOYSA-N 308.411 2.509 0 40 DFAB Brc1cncc2[nH]c(I)cc12 95920124 KHDYUHQRTLEURA-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 96426293 PZJKDLHBOQQTMX-MSOLQXFVSA-N 318.380 2.862 0 40 DFAB CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCOC3)cc21 96443717 HIRBPXSSAHIRJP-OAHLLOKOSA-N 315.417 2.568 0 40 DFAB CCn1nncc1CNC(=O)Nc1sc(C)nc1CC(C)C 529022447 WAMJBUYFPAQLJZ-UHFFFAOYSA-N 322.438 2.583 0 40 DFAB Cc1cc2cc(C(=O)N3CCOC[C@@H]3c3ccn[nH]3)ccc2o1 257333157 YAJZPFIGQICGSF-OAHLLOKOSA-N 311.341 2.678 0 40 DFAB COc1cc(CN2CC[C@H](c3nc(C)cn3C)C2)cc(OC)c1 257336039 YMXBMEWRKRLFNF-HNNXBMFYSA-N 315.417 2.735 0 40 DFAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@H](c2nccs2)C1 257238223 HKAVQPKFZNJUOM-VIFPVBQESA-N 323.805 2.917 0 40 DFAB CCCn1nccc1-c1ncccc1C[C@@H]1CCN(C(C)=O)C1 257219325 DGKIETFSGZHOLC-HNNXBMFYSA-N 312.417 2.766 0 40 DFAB Cc1c(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]c2ccccc12 257208633 BMYAUPJURLELQA-ROUUACIJSA-N 300.402 2.592 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)ccn1 257258109 KSKRODLVISOOJN-DWTRPJMMSA-N 308.385 2.895 0 40 DFAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)ccn1 257325449 WSYZAKHZPFZFLA-GFCCVEGCSA-N 323.443 2.711 0 40 DFAB COC[C@@H](O)COc1cc(SC)ccc1Br 390835226 GXUNDFKWDXDLFW-MRVPVSSYSA-N 307.209 2.557 0 40 DFAB CN(C)CC(=O)Nc1ccc(N2CCCCC2)c2ncccc12 390833536 IZSDWMDISAEVJS-UHFFFAOYSA-N 312.417 2.725 0 40 DFAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOCC1 43632623 ZTXOKMVKPQQTJF-UHFFFAOYSA-N 321.377 2.737 0 40 DFAB Cc1ccc(-c2cc(CN3CCC[C@H]3Cn3cncn3)on2)cc1 69601004 YTQRYXZLKBZLJE-INIZCTEOSA-N 323.400 2.906 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCC[C@H]1Cn1cccn1 69742193 OXYKCNKCIXRFLN-LBPRGKRZSA-N 302.403 2.522 0 40 DFAB CC(C)N(C)S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21 95389772 YYMDXKAFEREXRZ-HNNXBMFYSA-N 310.463 2.974 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1OCC 8054522 LJFFMWDHKKQERM-LLVKDONJSA-N 301.408 2.561 0 40 DFAB CCO[C@@H](C)c1nccn1Cc1nc(-c2cccs2)n[nH]1 155624329 CZTLEHFMPBWDKK-JTQLQIEISA-N 303.391 2.876 0 40 DFAB CCOC[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 527883386 SXGMIYOJDDUVHB-QGZVFWFLSA-N 318.417 2.511 0 40 DFAB Cc1cc(F)ccc1-c1ccccc1C[C@H]1CNCCNC1=O 19571576 YKJLFCLHVFVTMX-HNNXBMFYSA-N 312.388 2.679 0 40 DFAB O=C(O)[C@@H]1CN(c2cc(C3CC3)ncn2)CC12CCCCC2 575607580 IRPXWFLJGKJHRA-ZDUSSCGKSA-N 301.390 2.825 0 40 DFAB CCCC(CCC)C(=O)NCc1nnnn1-c1cccc(F)c1 10593240 CTXGHNCUAZGFTF-UHFFFAOYSA-N 319.384 2.634 0 40 DFAB O[C@@H](CNC(=S)Nc1ccccc1)COCc1ccccc1 2361419 VDEGGVSRDKOZFW-INIZCTEOSA-N 316.426 2.551 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3O2)c1 30274053 WRDHSPPVAVMUAE-XIKOKIGWSA-N 324.380 2.826 0 40 DFAB O=C1c2cccnc2C(=O)N1c1ccc(OC(F)(F)F)cc1 86832 CXXKJQAGILAESB-UHFFFAOYSA-N 308.215 2.781 0 40 DFAB O=C(Nc1nnc(C(F)(F)F)[nH]1)c1cc(-c2ccccc2)on1 50603781 PMVQSHKMNBIZLB-UHFFFAOYSA-N 323.234 2.731 0 40 DFAB CCOc1ccc(OCC(=O)Nc2ccc(N(C)C)nc2)cc1 20375727 GBUVHUPELZMQMI-UHFFFAOYSA-N 315.373 2.564 0 40 DFAB Cc1c(C(=O)n2cccc/c2=N\C(C)C)oc2c1C(=O)CCC2 40515724 FFIRYLCSQDTAPC-XDJHFCHBSA-N 312.369 2.906 0 40 DFAB COC(=O)c1ccc([C@@H](C)Sc2nnc3ccccn23)o1 31842060 HHOGYTKINPFGBM-SECBINFHSA-N 303.343 2.962 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cn1 31961907 MDZVJWKVXWCKNI-CYBMUJFWSA-N 315.442 2.628 0 40 DFAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1[C@H]2CCC[C@H]12 101490321 OQPGFKJQNKRIPS-MELADBBJSA-N 318.804 2.608 0 40 DFAB C[C@]1(c2ccc(Cl)cc2Cl)OC[C@H](Cn2cncn2)O1 161466 NKCVVZUBNFITEG-GWCFXTLKSA-N 314.172 2.873 0 40 DFAB CCOC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@@H]2C(F)(F)F 2766775 YMQLVZHHLOBRQO-NXEZZACHSA-N 303.284 2.757 0 40 DFAB CC(=O)CCc1ccc(OS(=O)(=O)c2c(C)noc2C)cc1 21473381 DUPNMRGASRILCK-UHFFFAOYSA-N 323.370 2.581 0 40 DFAB O=C(NCc1ccsc1)Nc1ccn(Cc2ccncc2)n1 76070539 SHDUVOIQXKHJIH-UHFFFAOYSA-N 313.386 2.710 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 2474873 BHUWYHGAMQJNGC-PUWUPWDNSA-N 309.365 2.643 0 40 DFAB CCn1nc(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1C 2780984 UXOHDZNONJVMEO-UHFFFAOYSA-N 306.454 2.559 0 40 DFAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 32912684 ILBWMYAMJUAQIH-HNNXBMFYSA-N 304.321 2.689 0 40 DFAB CN(C[C@H]1CCCN1c1cccnn1)c1nc2ccccc2o1 69923364 CFBXGFYCCAXFTB-CYBMUJFWSA-N 309.373 2.723 0 40 DFAB COc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl 6329462 DZNZDXPDPLPYDX-JTQLQIEISA-N 300.811 2.814 0 40 DFAB CC(C)N1C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 6435971 ABWURHDEBFFSGV-UHFFFAOYSA-N 315.156 2.693 0 40 DFAB COC(=O)c1cnc(NC(=O)c2ccc3ccccc3n2)s1 21864728 UJRZEOIZOPYKSO-UHFFFAOYSA-N 313.338 2.730 0 40 DFAB Cc1ccc(CN2CCC[C@]3(C[C@@H](n4cnnc4)CO3)C2)s1 107228806 MQCPIEIVMHQYSZ-ZBFHGGJFSA-N 318.446 2.644 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC[C@@H]2C)c1 9745577 ANUNYPQEYVXSDA-NSHDSACASA-N 317.389 2.618 0 40 DFAB COc1cccc([C@H]2CCCN2CC(=O)N2CCCCC2)c1 54668231 DNQJTORFJUHTAA-QGZVFWFLSA-N 302.418 2.845 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)cc2c1C 42733686 UWMWUIWTMXKVDR-HZMBPMFUSA-N 313.401 2.511 0 40 DFAB CSC[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C 71908881 MVHXIOKXGDYTEN-ZWNOBZJWSA-N 316.417 2.683 0 40 DFAB Cc1csc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 43327407 DFUDKAILECMNBX-LBPRGKRZSA-N 311.451 2.941 0 40 DFAB COCCCNC(=O)c1ccccc1C(=O)c1cccs1 25705193 SLZPJOZYGUIBMF-UHFFFAOYSA-N 303.383 2.745 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107451356 CJIZLHVZHPLBBP-QVSAKCLHSA-N 301.434 2.991 0 40 DFAB CCN1CC[C@@H](NC(=O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 97083287 ZFHMNQJNWGSLKY-HIFRSBDPSA-N 312.335 2.765 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](CC(=O)O)c1cccs1 97017552 FMACTWHABQWVLM-KCJUWKMLSA-N 322.386 2.789 0 40 DFAB CCc1ccccc1NC(=O)CN1C(=O)COc2cc(C)ccc21 51316277 MDQLFTDNXMMARF-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)on1 72295342 NCUHJMOFEBWKPU-JQWIXIFHSA-N 318.377 2.899 0 40 DFAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCCC1 21143432 VUMHQDZEPXFJFJ-CQSZACIVSA-N 316.401 2.724 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)OCc1ccccn1 36147848 FFGYJUONDRTGKW-SOFGYWHQSA-N 311.337 3.000 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cn1 44972643 NLDQANNCQZXYSF-GFCCVEGCSA-N 302.334 2.756 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)Cc1ccco1)c1cccs1 44913030 FSRCYJJZBAIEFS-RISCZKNCSA-N 320.414 2.656 0 40 DFAB CC1=NN(c2ccc(C(=O)NCC[C@H]3CCCO3)cc2)CC1 58370453 SGVOEUIRZSXPBR-MRXNPFEDSA-N 301.390 2.572 0 40 DFAB COC(=O)c1ccoc1CNC(C)(C)c1ccc2c(c1)OCO2 58332182 WVXDJIOGNDTFEZ-UHFFFAOYSA-N 317.341 2.820 0 40 DFAB O=C(c1ccc(O)nn1)N1CCC(CCc2ccccc2)CC1 28791252 BOORAZUAJMPVTH-UHFFFAOYSA-N 311.385 2.667 0 40 DFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(SC)cc1 2475966 SCJXKOVKYADDSU-ZDUSSCGKSA-N 322.455 2.764 0 40 DFAB CN(Cc1ccccc1)C(=O)NCc1ccc(-n2cccn2)nc1 45607873 TXJMEZPLCULDRI-UHFFFAOYSA-N 321.384 2.609 0 40 DFAB Cc1cccc(-c2nnc(SCC(=O)NCC(C)C)n2C)c1 3400336 LVUHYWWYAHPAQA-UHFFFAOYSA-N 318.446 2.655 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(F)c2)cc1 18611144 OWOLMZWPTCGOCG-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccccc1 6509254 HXYDLJQKIMZUIN-UHFFFAOYSA-N 314.360 2.604 0 40 DFAB O=Cc1cn(C[C@@H](O)CN2CCCCCC2)c2ccccc12 5520938 LJWQMRBVOUNNJJ-INIZCTEOSA-N 300.402 2.691 0 40 DFAB O=C(NCCSCc1ccco1)c1ccc2[nH]cnc2c1 6653362 JGUXINRTQHGKNK-UHFFFAOYSA-N 301.371 2.819 0 40 DFAB O=c1c(-c2ccccc2)nnc2sc(-c3ccccc3)nn12 6760717 BRVPZFMPFMTOQP-UHFFFAOYSA-N 306.350 2.880 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1 7048924 WQCCDFVCQJNQFY-QMMMGPOBSA-N 323.809 2.535 0 40 DFAB C[C@@H](CNC(=O)NC1CCC(O)CC1)c1ccc(F)c(F)c1 80655558 NBGZMIAGWVHQME-PKSQDBQZSA-N 312.360 2.671 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@@H]1C 15989013 GOQUZTFUPFRUMB-NUEKZKHPSA-N 318.417 2.649 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 409280764 KVPQKHBBBQJARH-ZAZJYDDPSA-N 324.163 2.826 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1CCC(C)CC1 68962626 XXXVNDIOKNPHNJ-UHFFFAOYSA-N 303.406 2.624 0 40 DFAB Cc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 8208298 SGFOBYYCWOYJNR-UHFFFAOYSA-N 308.428 2.831 0 40 DFAB C[C@H](C1CC1)N(C(=O)CNC(=O)OCc1ccccc1)C1CC1 71836367 QHHOECSZYLHNKX-CYBMUJFWSA-N 316.401 2.702 0 40 DFAB Cc1n[nH]cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 69351706 GBENNTDYDKBRLQ-CQSZACIVSA-N 316.380 2.708 0 40 DFAB O=C(CNC(=O)c1ccoc1)N[C@@H]1CCCCc2ccccc21 69453339 TXYNUFNRHRVDSW-MRXNPFEDSA-N 312.369 2.593 0 40 DFAB C[C@H]1C[C@@H](N(C)CCc2ccc(Br)cc2)C(=O)O1 69584668 PHYXMEXNLYXCHT-GXFFZTMASA-N 312.207 2.627 0 40 DFAB COc1ccc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)[nH]c2c1 69740610 XIASNHYTNAXSFF-AWEZNQCLSA-N 324.384 2.850 0 40 DFAB COc1cccc(OC)c1OC1CCN(C(=O)[C@H]2C[C@H]2C)CC1 71805011 DAKFGCFUSJAMKR-OCCSQVGLSA-N 319.401 2.730 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 72298711 QNXZXJOVXQORKJ-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB Cc1cnc(NCc2ccccc2OCC(=O)N(C)C)s1 97114411 JHIPSEJNPZHGDP-UHFFFAOYSA-N 305.403 2.531 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cc(F)ccc2Cl)no1 72330095 WMNZHQYKBUPYLU-UHFFFAOYSA-N 312.684 2.571 0 40 DFAB COc1ccc(Cl)cc1CCNC(=O)NCc1ccncc1 95395826 LSXBWCRPLWBPPE-UHFFFAOYSA-N 319.792 2.786 0 40 DFAB c1cnc2nc(Sc3nnc(C4CC4)n3C3CC3)ccc2n1 95395434 VAVPKYDOVSTRAQ-UHFFFAOYSA-N 310.386 2.980 0 40 DFAB O=S1(=O)CCCN1Cc1ccc(Cl)cc1Br 72949666 DDLCZTWWERTGBM-UHFFFAOYSA-N 324.627 2.638 0 40 DFAB O=C(c1ccncc1Cl)N1CCO[C@@H](c2cccc(O)c2)C1 95424020 WJOLZCPIHGWSBK-OAHLLOKOSA-N 318.760 2.654 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)cc1OC(F)F 95441533 BBBDMOJXEMWUCC-QMMMGPOBSA-N 311.288 2.511 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCc1ccccc1OC1CCC1 95411328 JQBRAQRHQREZCE-MRXNPFEDSA-N 318.417 2.530 0 40 DFAB O=C(c1nccn2ccnc12)N(CCc1cccc(F)c1)C1CC1 73672889 KFXAUTHKXCQFRE-UHFFFAOYSA-N 324.359 2.716 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](N[C@H](C(N)=O)c2ccccc2)C1 95967226 GHVHSASVRDVIQM-MNEFBYGVSA-N 323.440 2.638 0 40 DFAB CSC[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 89570483 BJYDAPCEYSQGAY-JTQLQIEISA-N 321.414 2.647 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1noc2c1CCCC2 89930506 MYGPPHGOYPIKRY-IRXDYDNUSA-N 317.433 2.529 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2ccncc2)C1 121477375 YMQHJKJQOQKNDO-OAHLLOKOSA-N 316.788 2.957 0 40 DFAB NC(=O)c1ccc(CN(c2ncnc3sccc23)C2CC2)cc1 32779242 USTXKCLTPCSHBK-UHFFFAOYSA-N 324.409 2.959 0 40 DFAB COc1ccccc1OCCNC(=O)CCc1ccc(F)cc1 39516485 DOUUIDJTSJMKPM-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)NC3CCCC3)CCC(=O)N2C)cc1 72239421 WDLOGAUZYLYPFT-AEFFLSMTSA-N 314.429 2.963 0 40 DFAB COc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1OC 32125472 NHLJTOAMBHSHNX-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB O=C(c1cccc(COc2cccc(F)c2)c1)N1CCOCC1 79310074 CNACDZNPRZXSGT-UHFFFAOYSA-N 315.344 2.877 0 40 DFAB Cc1ccc([C@@H]2COCCN2Cc2ccsc2C(=O)O)o1 565106263 XGAQDLZVHMEYMU-LBPRGKRZSA-N 307.371 2.921 0 40 DFAB CCCS(=O)(=O)[C@H](C)C(=O)N(c1ccccc1C)C(C)C 79040634 UKLLSJQRSWSQBC-CQSZACIVSA-N 311.447 2.950 0 40 DFAB Cc1cc(C)cc([C@H](O)CN2CCC([C@@H]3CCNC3)CC2)c1 1579579882 LYUIVTNOFWUJJM-IEBWSBKVSA-N 302.462 2.658 0 40 DFAB Cc1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)no1 48345351 BIGRGWHSWLBDLZ-UHFFFAOYSA-N 305.809 2.954 0 40 DFAB COc1cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n1 225896280 SEOIOHXIILVDBL-UHFFFAOYSA-N 308.329 2.589 0 40 DFAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc(C2CC2)on1 225599766 GLUZZAYPCWWBPE-NSHDSACASA-N 312.369 2.848 0 40 DFAB COc1ccc(OC)c(CC2=NN[C@H]3CC(C)(C)CC(=O)[C@H]23)c1 228930764 FLOUDHFIJVJUDB-WMLDXEAASA-N 316.401 2.579 0 40 DFAB O=C(O)[C@@H](c1ccc(F)cc1)N1CC[C@H](C2CCOCC2)C1 576950105 DBRCEUCPQLIPLC-GOEBONIOSA-N 307.365 2.700 0 40 DFAB CC(C)[C@@H](NC(=O)N1CCCCCCC1)c1nnc2n1CCC2 96404824 BPDWNHBLAYRBSV-OAHLLOKOSA-N 319.453 2.897 0 40 DFAB CCCCCN1CCC[C@@]12CCCN(C(=O)CCC(=O)OC)C2 96071316 YLEHNILZFNMCHI-GOSISDBHSA-N 324.465 2.587 0 40 DFAB CC(C)c1noc(N2CCC[C@H]2c2nc(C(=O)O)cs2)n1 577495918 BKERSDLDMODQGH-VIFPVBQESA-N 308.363 2.689 0 40 DFAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1Cl 96065861 SVNXQXITTSDJLM-YQQAZPJKSA-N 323.820 2.677 0 40 DFAB CCO[C@H]1C[C@H](N(C)Cc2nnc(C3CC3)n2C)C12CCCC2 96419704 AOWNTQQEJIHVSO-GJZGRUSLSA-N 318.465 2.862 0 40 DFAB C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCO1 97374201 PRAJECVZKFUIER-ZANVPECISA-N 300.761 2.575 0 40 DFAB COCc1ncsc1C(=O)N[C@](C)(C1CC1)C(F)(F)F 331808935 AVPPQMVASOHDAE-LLVKDONJSA-N 308.325 2.750 0 40 DFAB CCC(=O)N1C[C@H]2CN(C(=O)C(C)C)c3ccccc3[C@@H]2C1 96251756 ZHPWJKLHAZEKOA-DZGCQCFKSA-N 300.402 2.641 0 40 DFAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccoc3)CC2)n1 239611930 FFLXQMQICMAZPH-SHTZXODSSA-N 315.373 2.806 0 40 DFAB Cc1cc(C)n(-c2ccc(-c3nc(-c4cnccn4)no3)cc2)n1 96460639 OOMBMFHVUYHGSY-UHFFFAOYSA-N 318.340 2.996 0 40 DFAB CCOc1ccc(CN2CCC[C@@H]2c2ccncn2)cc1CO 257324260 WNWXOYSZSAHGSI-QGZVFWFLSA-N 313.401 2.705 0 40 DFAB Cc1nn(C)cc1Cn1cc(NCc2ccc(F)s2)cn1 256054584 WWYSANALWFFGAX-UHFFFAOYSA-N 305.382 2.786 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cncc(CN(C)C2CCCC2)n1 257207029 BGBCCWZGGRBFRM-QGZVFWFLSA-N 302.422 2.534 0 40 DFAB Cc1cc(C)nc([C@]2(C)CCCN2C(=O)c2c(C)noc2C)n1 257218851 DEPDQRIAQDHKGK-KRWDZBQOSA-N 314.389 2.850 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCC(Oc2cnccn2)CC1 85471812 GEKWYYNCSPLBEF-VOTSOKGWSA-N 309.369 2.560 0 40 DFAB C[C@@H]1CCCN(c2cc(C(=O)N[C@H]3CCOC3(C)C)ccn2)C1 295905661 NRZJPDRMSXJXPN-HIFRSBDPSA-N 317.433 2.615 0 40 DFAB COC[C@@H](C)N(C)C(=O)NCc1cc(-c2ccc(C)cc2)no1 48248996 WXEWJSKJDWUINF-CYBMUJFWSA-N 317.389 2.826 0 40 DFAB CCc1nnsc1C(=O)OCCn1c(C)nc2ccccc21 58280525 GIWCVLIFMMKDKK-UHFFFAOYSA-N 316.386 2.616 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)N1CC[C@@]2(CCOC2)C1 79093800 MPJYISLOYDFACY-MRXNPFEDSA-N 309.793 2.666 0 40 DFAB Cc1ccc(-c2n[nH]c(CNC(=O)NC3CCCCC3)n2)cc1 5001864 WJNTTWQADFDVPU-UHFFFAOYSA-N 313.405 2.912 0 40 DFAB CCCCN1C(=O)S[C@@H](Nc2ccc(NC(C)=O)cc2)C1=O 12136846 SJMMAGCXBMDUMJ-CYBMUJFWSA-N 321.402 2.879 0 40 DFAB COc1cccc(N2C(=O)/C(=C\c3ccco3)NC2=S)c1 12793185 FLCZAWRFJPEFJJ-UKTHLTGXSA-N 300.339 2.550 0 40 DFAB O=C(C1CCC1)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 19341331 MKQBQINOOQIURX-AWEZNQCLSA-N 312.373 2.638 0 40 DFAB CC(C)NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1 19696567 JRKGYYGLEGKCQC-GOSISDBHSA-N 313.401 2.531 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1F 19804295 ZPTNTRXEJPYACR-MRVPVSSYSA-N 300.305 2.817 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N[C@H]3CCOc4ccccc43)cc12 23750359 UMLGKKUCHGTDJI-HNNXBMFYSA-N 322.368 2.530 0 40 DFAB O=C(c1cc[nH]c1)N1CCc2ncnc(-c3ccsc3)c2CC1 1565552939 DYPOBKZSHMGTJB-UHFFFAOYSA-N 324.409 2.774 0 40 DFAB Cc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1 246109 LDVRMIBHMMUCJM-UHFFFAOYSA-N 319.411 2.857 0 40 DFAB COc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1 12444358 AQJFFTVOFKHKMS-UHFFFAOYSA-N 314.370 2.805 0 40 DFAB Cc1nnc(-c2ccc(OCC(=O)NCc3ccccc3)cc2)o1 12443750 OLLRZCBYUALNTB-UHFFFAOYSA-N 323.352 2.740 0 40 DFAB CC(C)CCNS(=O)(=O)CCCOc1ccc(F)cc1 12440781 DJGAGOJJSMYFNH-UHFFFAOYSA-N 303.399 2.560 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2C 17315854 KLKMCAORWWUBHX-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(F)cc1 23142344 PHLOMDFRTPAIHV-LBPRGKRZSA-N 321.323 2.927 0 40 DFAB CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 5996229 IGWLREIMOUKKMC-UHFFFAOYSA-N 303.671 2.904 0 40 DFAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccn1 25406009 SNUGEZLPVPLAIN-HIFRSBDPSA-N 323.396 2.850 0 40 DFAB CN1CCN(Cc2ccc(NC(=O)CC(C)(C)C)cc2)CC1 40089754 DGTZWOOTBPKBMX-UHFFFAOYSA-N 303.450 2.809 0 40 DFAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCSCC1 40541945 IKBGLVZHDRQRAF-UHFFFAOYSA-N 307.806 2.919 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 29535527 DQWJHNYXIHXGIF-RTBURBONSA-N 324.424 2.889 0 40 DFAB CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccccc1 186276 NXHWFUWSUXZCRF-UHFFFAOYSA-N 321.380 2.529 0 40 DFAB COc1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 532699 VNWBDVTYPWIZNC-SJORKVTESA-N 303.358 2.756 0 40 DFAB CN(CCc1ccccn1)C(=O)c1ccc2c(c1)OCCCO2 52818197 WOOSYVLCYWMGAE-UHFFFAOYSA-N 312.369 2.558 0 40 DFAB C[S@](=O)C[C@@](O)(c1ccccc1)c1nccc2ccccc12 4824254 SRALUZXSTMYRKP-XMSQKQJNSA-N 311.406 2.849 0 40 DFAB O=C1CCC(=O)N1c1cnn(Cc2cccc(C(F)(F)F)c2)c1 2732473 RFDQPXWJCKMDHM-UHFFFAOYSA-N 323.274 2.604 0 40 DFAB C[C@@H](C(=O)O)[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1 97018299 UMCKBUBBVDEMFN-SJKOYZFVSA-N 315.344 2.946 0 40 DFAB O=C(CCc1nc2ccccc2s1)NCC[C@H]1CCCO1 23876133 XVEQYLAGSQJBTF-GFCCVEGCSA-N 304.415 2.914 0 40 DFAB CCOC(=O)CCCC(=O)c1cc(OC)c(OC)c(OC)c1 43214405 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Cc1ccc(C)c(N2CCN(c3cc(Cl)nc(N)n3)CC2)c1 59916449 NYGBRWRQTYQBTQ-UHFFFAOYSA-N 317.824 2.656 0 40 DFAB O=C(NCc1ccc(OC2CCCCC2)nc1)[C@H]1CCCO1 58393917 ZFLPNNTWEZTVCT-OAHLLOKOSA-N 304.390 2.588 0 40 DFAB FC(F)(F)c1ccnc(NCc2nncn2-c2ccccc2)n1 42100176 SBCANGJWCGUJSF-UHFFFAOYSA-N 320.278 2.688 0 40 DFAB CS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2sccc2C)C1 110646142 VZUKCOMKRUIQCN-CHWSQXEVSA-N 312.504 2.889 0 40 DFAB Oc1nncc(N2CCc3sccc3C2)c1Br 12752737 DELOROGYTAEZIF-UHFFFAOYSA-N 312.192 2.569 0 40 DFAB CCOc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1OC 48383402 CUBSMEQVCFRFMS-CHWSQXEVSA-N 319.357 2.699 0 40 DFAB CCOCCO[C@H](C)C(=O)NCC(C)(C)c1ccccc1OC 62929022 IAOVCCSZCUYMMC-CQSZACIVSA-N 323.433 2.531 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(C)c2)no1 13984383 NHUBQXWOEXSMEI-GFCCVEGCSA-N 302.330 2.784 0 40 DFAB CCCCc1noc(CNc2cc(C(N)=O)cc(F)c2C)n1 65513338 YFNHTTLNRYZTTN-UHFFFAOYSA-N 306.341 2.571 0 40 DFAB C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(Cl)cn2)NC1=O 65589872 SCEFFHBWLVYJQI-MRVPVSSYSA-N 317.732 2.707 0 40 DFAB O=C(O)CCc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716615 CTRCTSLSKLHTNL-UHFFFAOYSA-N 306.705 2.673 0 40 DFAB COc1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)cn1 65610451 FPXPLHOLDRRQQY-UHFFFAOYSA-N 313.313 2.828 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)o1 14230102 XUQXUJJHGFUOTO-NSHDSACASA-N 321.398 2.791 0 40 DFAB COc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)c1 5420727 IEKPCYGUTVQRBV-UHFFFAOYSA-N 314.385 2.867 0 40 DFAB Cc1ccc(NC(=O)[C@@H](Cc2cccc(C)c2)c2nn[nH]n2)cc1 6556766 BFQVWLWTMGEZLI-INIZCTEOSA-N 321.384 2.782 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2cccs2)cc1O 8851211 JLPYHZBDSUUZRW-LLVKDONJSA-N 319.382 2.796 0 40 DFAB COCc1cccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 72295566 DFCOTUGXSMHDFD-XHSDSOJGSA-N 303.402 2.766 0 40 DFAB Cc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c(C)c1 4852152 YUNHGKRLPYNRPG-UHFFFAOYSA-N 321.384 2.778 0 40 DFAB Cc1cc(C)n(Cn2ccc(C(=O)OCc3ccccc3)n2)n1 62701399 LIEDEJCDRGNVAA-UHFFFAOYSA-N 310.357 2.559 0 40 DFAB COc1ccc2cc(NC(=O)NC3CCC(O)CC3)ccc2n1 171279021 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O=C(CCCNC(=O)C1CC1)N[C@@H](c1ccc(F)cc1)C1CC1 89782780 OKDMXYBNRFJNFW-QGZVFWFLSA-N 318.392 2.699 0 40 DFAB CCCc1nnc(S)n1CC(=O)N1CC=C(C(C)(C)C)CC1 89960551 NDMUWOXWOISPKI-UHFFFAOYSA-N 322.478 2.724 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(C)o1 75563500 QRIWAYRXMOFAAC-GFCCVEGCSA-N 319.386 2.596 0 40 DFAB Cn1nnnc1NCc1cccc(OCc2ccccc2F)c1 22112118 USWDOOLDYMGKEE-UHFFFAOYSA-N 313.336 2.540 0 40 DFAB O=C(c1cnccn1)N1CCC(c2nc3ccccc3o2)CC1 32553721 NTUXTNYMQPEJBI-UHFFFAOYSA-N 308.341 2.638 0 40 DFAB CS(=O)(=O)Oc1ccc2c(-c3ccc(F)cc3)noc2c1 32105631 GDFWNZUEPBHXDV-UHFFFAOYSA-N 307.302 2.972 0 40 DFAB Cc1ccc2c(CC(=O)Nc3c[nH]nc3[C@H]3CCNC3)coc2c1 1553843504 YHFFSVQSEYOAFV-LBPRGKRZSA-N 324.384 2.722 0 40 DFAB Nc1ccc(SCCS(=O)(=O)Cc2ccccc2)cc1 526049278 PHGHMAZBBLMTMA-UHFFFAOYSA-N 307.440 2.976 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCCc1ccccc1 32138854 MGAXDJLPMXHNTE-OAHLLOKOSA-N 304.434 2.678 0 40 DFAB COc1ccc(OCCNC(=O)/C=C/c2cnc(C)s2)cc1 78996100 WZTXYLFNFPKMEJ-BQYQJAHWSA-N 318.398 2.669 0 40 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2.515 0 40 DFAB O=C1CC(=O)[C@H](n2cncn2)[C@@H](c2ccc(Cl)cc2Cl)C1 100507086 POTMWLVOWGCTKN-BXUZGUMPSA-N 324.167 2.842 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)c[nH]1 40488928 WWEHPGVQJZRTDZ-SECBINFHSA-N 316.386 2.532 0 40 DFAB O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H](C(F)(F)F)C1 40459056 YAOMQNJTYUSQLR-WCQYABFASA-N 321.314 2.840 0 40 DFAB CSc1nnnn1-c1cccc(NC(=O)C[C@@H]2C=CCC2)c1 31466141 XSCJFVRPSGTSQO-LLVKDONJSA-N 315.402 2.679 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccc2c(c1)OCCO2 51589219 SRSAODHRQSBQEL-NSHDSACASA-N 315.373 2.911 0 40 DFAB CCCN1C(=O)/C(=C/c2cc(C)c(OC)cc2C)NC1=S 202753 MPMSMZBABPHTAU-LCYFTJDESA-N 304.415 2.780 0 40 DFAB Cn1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1=O 52276007 LVKOBPPZTXXEKI-MRXNPFEDSA-N 318.804 2.612 0 40 DFAB C[C@@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)n1cncn1 29759863 ZWTSBJIPGOKHGF-CABZTGNLSA-N 322.821 2.846 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCO[C@@H]2CCCC[C@@H]21 41109490 ATTTYCPOLRBFFT-QWHCGFSZSA-N 302.330 2.718 0 40 DFAB 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CCCC(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 64421727 YAZIFHDUXLHMHK-GOSISDBHSA-N 317.477 2.670 0 40 DFAB CCc1nc(CN2CCN(Cc3scnc3C)CC2)cs1 92504979 KGRKIMGTWQYAQE-UHFFFAOYSA-N 322.503 2.788 0 40 DFAB Cc1nc(CNC(=O)c2ccc(Br)o2)cs1 15832298 VOTYGKGJXVOKOX-UHFFFAOYSA-N 301.165 2.737 0 40 DFAB CC(=O)Cc1nsc(NC(=O)c2cc3ccccc3o2)n1 4291937 NIPVASCUKMLGFI-UHFFFAOYSA-N 301.327 2.668 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 8848286 VZLBBGPOXQLTFY-INIZCTEOSA-N 313.353 2.729 0 40 DFAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(S)nnc23)cc1 6184029 JGYZIFQWYDTQFL-UHFFFAOYSA-N 322.393 2.690 0 40 DFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1Cl 13985226 AAEDIOHJOPNYPQ-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB C[C@H]1c2ccsc2CCN1c1ncnc2c1CN(C)CC2 65487665 LSNVJLLKEIIVMP-NSHDSACASA-N 300.431 2.650 0 40 DFAB CCO[C@H](CC)C(=O)NCC1CCN(Cc2cccs2)CC1 65539339 ULHQHEXNPSBBFV-MRXNPFEDSA-N 324.490 2.891 0 40 DFAB O=C(O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 6414230 FZAXATWDNNEIQC-UHFFFAOYSA-N 304.158 2.955 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCCC2)c1 5507578 QYJCUGJNQDTMRL-GFCCVEGCSA-N 303.358 2.950 0 40 DFAB Cc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)c(Cl)c1 14861387 YORMYXIDNMWUBH-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 9118625 BIZCBRULOHTCAV-LLVKDONJSA-N 309.369 2.514 0 40 DFAB CC(C)n1cnnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 9212802 VGJJSGWTMKBSTI-NSHDSACASA-N 322.409 2.968 0 40 DFAB C[C@H](OCC1CC1)C(=O)Nc1ccc(N2CCCCC2)cn1 68353346 WMWREODYCUBIPS-ZDUSSCGKSA-N 303.406 2.826 0 40 DFAB COC(=O)c1ccccc1CN1C[C@H](N(C)C)Cc2ccccc21 96003686 IIAFJRMGNJTPQN-QGZVFWFLSA-N 324.424 2.966 0 40 DFAB CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C2(C)OCCO2)C1 96010059 HAMGQDAMZCYPRL-QLFBSQMISA-N 310.438 2.750 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2cc(C)c(Cl)c(C)c2Cl)CN1 19735855 ILLSBEGHCONTKT-UWVGGRQHSA-N 318.200 2.893 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC(C1CC1)C1CC1 81959274 CMVGNWMIISFNQG-UHFFFAOYSA-N 317.433 2.542 0 40 DFAB C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)C1 69570483 HFHBRBNKKAFHJB-GOEBONIOSA-N 315.417 2.941 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1Cn1cccn1 71866265 JEBZJXKPUNXVCL-CYBMUJFWSA-N 301.415 2.738 0 40 DFAB c1ccc(-c2nc(CN3CCCC[C@@H]3Cn3cncn3)co2)cc1 71876233 WRXNUSGSQGHPKT-QGZVFWFLSA-N 323.400 2.988 0 40 DFAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccco1 71909669 AEUSTYPNRJWAOB-NSHDSACASA-N 322.311 2.890 0 40 DFAB O=S(=O)(Cc1ccncc1)c1cccc(Br)c1 97101333 VIUKTUGBKLTCMS-UHFFFAOYSA-N 312.188 2.818 0 40 DFAB CC(C)(C)n1cc(CNCc2ccc(-n3ccnc3)nc2)cn1 97159052 AMBZRIJNBNBSPA-UHFFFAOYSA-N 310.405 2.509 0 40 DFAB CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2coc3ccccc23)C1 72314144 ZLOULPVJDASMRJ-GHMZBOCLSA-N 308.355 2.555 0 40 DFAB Fc1ccc(-n2cc(-c3csc(-c4cnccn4)n3)nn2)cc1 72914457 DDNWZDBPJYWLPD-UHFFFAOYSA-N 324.344 2.987 0 40 DFAB Cc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)n1C 72988051 RTECAHLSDPYSDP-UHFFFAOYSA-N 320.396 2.966 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)Cc1coc2cc(C)ccc12 95445650 UBPMSYYMEBKDFG-NHYWBVRUSA-N 307.415 2.512 0 40 DFAB CC(C)(C)[C@H](NCc1ccccc1)c1nc(-c2nc[nH]n2)no1 95432575 KYVFMNQFVQCTHF-GFCCVEGCSA-N 312.377 2.732 0 40 DFAB C[C@H](SC1=NCCS1)C(=O)N1CCc2sccc2C1 73573386 FHJBOHHULROFGK-VIFPVBQESA-N 312.485 2.857 0 40 DFAB Cc1nnc(CCCn2nnc(-c3ccc(C(C)C)cc3)n2)o1 95981496 VIHNSWQSUDVHNQ-UHFFFAOYSA-N 312.377 2.788 0 40 DFAB COc1ccc(CN2CCO[C@H](c3noc(C)n3)C2)c(Cl)c1 95964075 IHZDFGJJWQIQNL-AWEZNQCLSA-N 323.780 2.614 0 40 DFAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)Cn1cccn1 95949507 HPHNSUQILXTMJP-KGLIPLIRSA-N 301.390 2.747 0 40 DFAB CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2F)cc1 95994051 FMYZKVOGZGUPSA-UHFFFAOYSA-N 310.350 2.809 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)NC1CCN(C2CC2)CC1 9961572 RGASESZSSKXGMW-UHFFFAOYSA-N 322.836 2.770 0 40 DFAB Cc1csc(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)cc2)n1 89708848 MCPZGUULMSKKLN-CYBMUJFWSA-N 315.442 2.895 0 40 DFAB C[C@@H](Cc1nc(-c2cnnn2C)cs1)n1cc(Cl)cn1 515442374 PGSUEXWOCSYVSR-QMMMGPOBSA-N 308.798 2.592 0 40 DFAB CCn1cc(C(=O)Nc2cnn(CCc3ccccc3)c2)c(C)n1 72247049 JFCQLMWNUMIZRC-UHFFFAOYSA-N 323.400 2.903 0 40 DFAB Cc1ccncc1NC(=O)C(=O)N1CCC[C@H]1Cc1ccccc1 78554197 FTBMAEAHNNZAKL-INIZCTEOSA-N 323.396 2.562 0 40 DFAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](c2ccsc2)C1 670884029 ZOSIPUCGVYAQQC-VIFPVBQESA-N 313.366 2.820 0 40 DFAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nncs1 72403594 VPPUFFFDVFXXPW-UHFFFAOYSA-N 319.777 2.844 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2CC(C)C)cc1 72703390 LYSVOJMDMRMUEG-INIZCTEOSA-N 304.390 2.532 0 40 DFAB O=C(NC[C@]1(O)CCCNCC1)c1ccccc1-c1ccccc1 72166064 JBXAIPXLBOBJCR-FQEVSTJZSA-N 324.424 2.588 0 40 DFAB COc1ccc(NC(=O)CN(C)[C@H]2CC[C@H](SC)C2)cc1 72776730 IVYMVUKFUIPAIF-ZFWWWQNUSA-N 308.447 2.850 0 40 DFAB O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cncnc1C1CC1 568597547 CWTXLGQDBVOSSL-UHFFFAOYSA-N 311.389 3.377 0 40 DFAB Fc1ccc(CNc2ncnc3c2cnn3-c2ccccn2)cc1 41529171 BVAHPFNMHLENHR-UHFFFAOYSA-N 320.331 2.962 0 40 DFAB CO[C@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1N 226817764 AYBILSLODJMOOW-JKSUJKDBSA-N 306.793 2.566 0 40 DFAB CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C 225698508 QLGRIYMNQCJZRJ-HNNXBMFYSA-N 304.434 2.771 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NCc1cnn2ccccc12 75162919 PXPZZQMZLYBRBI-UHFFFAOYSA-N 314.776 2.987 0 40 DFAB CCOc1nnc(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)s1 80903001 KZTTZDMHEKTAAC-XHDPSFHLSA-N 313.467 2.604 0 40 DFAB Cc1nc(CNc2ncnc3c2cnn3-c2ccccn2)cs1 46088351 LQPJSPCMBBZUCW-UHFFFAOYSA-N 323.385 2.588 0 40 DFAB CCN(C(=O)CN1CCCOC1=O)[C@@H](C)c1ccc(F)cc1 84583817 CTMVPINBBUXCBZ-LBPRGKRZSA-N 308.353 2.578 0 40 DFAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CC 225421218 CJXNSFFGKCAASI-MRXNPFEDSA-N 320.433 2.739 0 40 DFAB c1ccc(OC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2ccco2)nc1 96250554 CZJZKUGXZYIEOE-BHYGNILZSA-N 314.385 2.733 0 40 DFAB CN1CC[C@@H](Sc2nnc(CCCc3ccccc3)o2)C1=O 96430328 XSNNRDHJCGRBOO-CYBMUJFWSA-N 317.414 2.568 0 40 DFAB OCc1cc(F)cc(CO)c1OCc1csc(C2CC2)n1 97376255 WWKPAEUGUXXANZ-UHFFFAOYSA-N 309.362 2.723 0 40 DFAB COC(=O)NCCC(=O)N[C@H](C)c1cccc(Cl)c1Cl 96409995 VMDUDUAFACTVKK-MRVPVSSYSA-N 319.188 2.917 0 40 DFAB Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCC(=O)N1 97083318 SFXAFCOIJAWZAN-KRWDZBQOSA-N 323.396 2.824 0 40 DFAB CN1CCC(N(C)C(=O)CCc2ccc(O)c(Cl)c2)CC1 97237060 VMUAWMJBSIPIFT-UHFFFAOYSA-N 310.825 2.531 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@H]12 96058424 NOKAQFBQZOHOFQ-VQTJNVASSA-N 307.441 2.929 0 40 DFAB C[C@H](C[S@](C)=O)NC(=O)Nc1cc(-c2ccccc2)ns1 97372466 IZRWWCFZQWWTHD-LADRHHBVSA-N 323.443 2.699 0 40 DFAB CO[C@H]1CSC2(C1)CN(C(=O)c1ccc3ccccc3n1)C2 247915587 ZFALMOJCBKJOLI-CYBMUJFWSA-N 314.410 2.581 0 40 DFAB Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)C(C)C)C3)ccc12 257210752 BWAPCPALLGSXIN-CYBMUJFWSA-N 300.406 2.639 0 40 DFAB COC(=O)[C@@H]1CCc2nnc(-c3c[nH]c4ccccc34)n2CC1 601043570 DLVXNQIFLHEDLF-LLVKDONJSA-N 310.357 2.552 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1ccc3[nH]ccc3c1)CC2 257278811 ODTPONCZSRHAPJ-KRWDZBQOSA-N 300.402 2.674 0 40 DFAB O=C(OCc1cccc(I)c1)N1CCC1 263583603 MUIVZSQLXXWCNA-UHFFFAOYSA-N 317.126 2.634 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 67620166 OWNNRDLCUGWGFO-VSZNYVQBSA-N 308.381 2.500 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@@]2(C)CCCO2)o1 97161823 DVDQJJJUFUDPRX-RHSMWYFYSA-N 322.405 2.842 0 40 DFAB CC[C@H](O)CCNC(=O)c1cc(Cl)c(OC)c(Cl)c1 84727854 RTGCZIOUVWRHHU-VIFPVBQESA-N 306.189 2.893 0 40 DFAB O=C(CN(Cc1cccs1)CC(F)(F)F)N1CCCC1 90006436 VDRQEVOZBKALET-UHFFFAOYSA-N 306.353 2.735 0 40 DFAB CCCn1cc(NC(=O)c2cc(Br)cn2C)cn1 96431429 ZIKSPMYYAFRYGG-UHFFFAOYSA-N 311.183 2.646 0 40 DFAB Cc1sc2ncnc(N3CCC4(CC3)OCCO4)c2c1C 223279 PJTAPVMWCDKCGP-UHFFFAOYSA-N 305.403 2.651 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)no1 1775968147 KKFNTHMUQUIJMX-LBPRGKRZSA-N 318.354 2.768 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1c(C)cccc1O 5375271 OBIDPXIYYYZTHF-INIZCTEOSA-N 315.325 2.999 0 40 DFAB COc1cccc(N2C(=O)/C(=C\c3ccc(C)o3)NC2=S)c1 14189194 RONSJUOHYKJHAJ-NTEUORMPSA-N 314.366 2.859 0 40 DFAB O=S(=O)(NCc1cccnc1)c1ccccc1C(F)(F)F 5120556 RNAQVYXCWXLWDB-UHFFFAOYSA-N 316.304 2.579 0 40 DFAB Cc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)n1 25944176 NTIMAPCLKJFNQV-OAHLLOKOSA-N 309.413 2.567 0 40 DFAB CCOc1ccc(C(=O)NCC(=O)N2CCCCCCC2)cc1 32720236 HUJPHHFQKRBAOP-UHFFFAOYSA-N 318.417 2.608 0 40 DFAB C[C@H](Cn1cncn1)C(=O)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 2037569101 FQZUHIGDGBLBST-REEYDVFISA-N 324.428 2.613 0 40 DFAB CCOc1ccc(CC(=O)NCCc2cn3ccccc3n2)cc1 4248433 WWZGLWKWUHRZKK-UHFFFAOYSA-N 323.396 2.634 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccccc2)o1 9521654 AOCMSCUJOHSKQY-UHFFFAOYSA-N 323.308 2.647 0 40 DFAB CCCCCCN[C@@H](CC(=O)Nc1cc(C)ccc1O)C(=O)O 10186470 FDGSHCPICFASGP-AWEZNQCLSA-N 322.405 2.652 0 40 DFAB CCOCC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 225577438 HSWLYDMBBXCLAC-UHFFFAOYSA-N 319.430 2.642 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 40554138 MLQLYKXWRQSDAA-WBVHZDCISA-N 314.429 2.829 0 40 DFAB CCCN(C)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 102028947 FQWRISGTOIFSDK-ZDUSSCGKSA-N 313.442 2.685 0 40 DFAB Cc1cc(C(=O)OCC(=O)NC2CCCC2)c2ccccc2n1 2627457 SNNHZQMMHKOJFY-UHFFFAOYSA-N 312.369 2.759 0 40 DFAB O=C(NCCn1ccnc1)N1C[C@@H]2CCCC[C@]21c1ccccc1 91531761 CDIYBKBJRDATLJ-HKUYNNGSSA-N 324.428 2.994 0 40 DFAB CCN1CCC[C@H](NC(=O)CCC(=O)c2ccc(C)s2)C1 78648489 FXOBHRUFJDKEPW-ZDUSSCGKSA-N 308.447 2.620 0 40 DFAB Cc1c(C(=O)N2CC[S@@](=O)C(C)(C)C2)oc2ccc(F)cc12 79070855 IBDQTGKDDIKAGV-QFIPXVFZSA-N 323.389 2.863 0 40 DFAB COc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1C 79595140 RQWQQPNEAXETLD-INIZCTEOSA-N 314.385 2.729 0 40 DFAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(C)=O 6262338 SJMXPJVQCGHRGM-NJAFHUGGSA-N 303.402 2.910 0 40 DFAB biogenic Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6742180 IMDFZIJZZVRMEW-VMMWWAARSA-N 301.386 2.919 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c(C)c1 7053136 CAXIHHIOQRHRMD-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCOCC(=O)N(C)C1CCN(c2ccc(Cl)cc2)CC1 69924535 YWYDIDLLWPEALR-UHFFFAOYSA-N 310.825 2.804 0 40 DFAB Cc1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)n(C)n1 103420692 WMIJNWXQAJOZPQ-UHFFFAOYSA-N 319.434 2.955 0 40 DFAB COc1ccccc1CN[C@H](Cn1cncn1)c1ccccc1 72242442 OFAIHZPELSTFSV-QGZVFWFLSA-N 308.385 2.818 0 40 DFAB O=C(Cn1cnc2sccc2c1=O)c1c[nH]c2ccccc12 23064737 SMTYCXDTSRWJLK-UHFFFAOYSA-N 309.350 2.822 0 40 DFAB O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccn2)CC1 33808190 VQEPHCCBBWIOPK-UHFFFAOYSA-N 318.327 2.714 0 40 DFAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cnn(-c2ccccc2)n1 107333327 MFYTZNDHOWIDIH-KKUMJFAQSA-N 310.401 2.823 0 40 DFAB O=C(C1CC1)N1CCC[C@H](c2nc(Cc3cccs3)no2)C1 72274906 ICABVXJPFMMKOG-LBPRGKRZSA-N 317.414 2.838 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(-c2ccccc2)cn1 58019162 UGAOISUBUUVYKW-XJKSGUPXSA-N 323.396 2.849 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N(C)C)cc1 3232847 NTEYCIOMWBKOTQ-ZIAGYGMSSA-N 318.417 2.699 0 40 DFAB Cc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)no1 44889778 GFNYEWLPHULQMX-UHFFFAOYSA-N 314.389 2.769 0 40 DFAB COc1ccc(Br)cc1CNC(=O)c1cccnc1 58215338 QIUDJAAWKSCCMY-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB COc1ccc(CNCc2ccccc2-n2cccn2)cc1O 58213822 APXINJNKNGHWDR-UHFFFAOYSA-N 309.369 2.876 0 40 DFAB O=c1[nH]c(CCN2CCC[C@H]2c2ccc[nH]2)nc2ccccc12 44978986 BMDRDCDNQNKXQP-INIZCTEOSA-N 308.385 2.631 0 40 DFAB O=C(Cc1cccc(F)c1)NCCc1ccn(-c2ccccc2)n1 58343543 VGESZEJQWPZBLW-UHFFFAOYSA-N 323.371 2.913 0 40 DFAB O=C(COC(=O)C1CCC1)Nc1cccc(Br)c1 3295167 RNOOZTBEHBIXPF-UHFFFAOYSA-N 312.163 2.731 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2NC(=O)/C=C\C(=O)O)cc1 65090444 ZPMFBEUAPSTDDX-KHPPLWFESA-N 324.336 2.827 0 40 DFAB COc1ccc(-c2nn3c(C(C)C)nnc3s2)cc1OC 2229539 ZIGVONHOKHVYRL-UHFFFAOYSA-N 304.375 2.993 0 40 DFAB Cc1ccccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11549220 UYJSAPJKXVRSFI-UHFFFAOYSA-N 323.396 2.938 0 40 DFAB Cc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F 2503336 KTEJUHILHOAZSE-UHFFFAOYSA-N 305.374 2.881 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)nc2)on1 48272867 HRLGLXMYJQYWGH-ZDUSSCGKSA-N 315.377 2.813 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(C)oc2C)c1 3315295 DPLCITNNLCKMOT-UHFFFAOYSA-N 318.325 2.953 0 40 DFAB O=C(O)CCc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 48312016 DSBLHWKPIKXAIT-UHFFFAOYSA-N 300.339 2.669 0 40 DFAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2cncnc2C1 69528279 FHBFRLXCFLNXLB-GFCCVEGCSA-N 307.357 2.646 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)s1 48440697 FBDZDHOQUAYIRB-UHFFFAOYSA-N 311.384 2.810 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)NCc2cccs2)n1 69657423 KLCQWXSQWJCZEI-UHFFFAOYSA-N 312.398 2.631 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(Cl)c1Cl 49091287 FKCJRDGPABTNJW-DTWKUNHWSA-N 315.200 2.719 0 40 DFAB Cc1n[nH]c(C(=O)N2CCC[C@@H]2C(C)C)c1Br 49122725 NQJYNMQSUBNZIV-SECBINFHSA-N 300.200 2.741 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)CCCn1cccc1 49470513 MGLLPKKEAWFSDU-UHFFFAOYSA-N 315.373 2.874 0 40 DFAB COc1ccnc(NC[C@@H]2CCCCN2Cc2ccccc2)n1 65201926 TVZXSTABBLYILF-INIZCTEOSA-N 312.417 2.952 0 40 DFAB CC(C)(NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 65404996 HJZBIMGLZJPTLW-AWEZNQCLSA-N 314.429 2.829 0 40 DFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCCOC1 65547972 XWFMOGIERMNFSI-CQSZACIVSA-N 318.348 2.709 0 40 DFAB O=c1n(Cc2ccc(Cl)cc2Cl)nnn1-c1ccccc1 14245891 CXBFWYXAWKEPBN-UHFFFAOYSA-N 321.167 2.784 0 40 DFAB C[C@H](NCC(=O)Nc1ccccc1F)[C@@H]1COc2ccccc21 96014157 QDGBVAJBWHNQSY-JSGCOSHPSA-N 314.360 2.919 0 40 DFAB CO[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccccc1 119367686 IQRCJIMBZBSODN-YESZJQIVSA-N 318.417 2.631 0 40 DFAB CC(=O)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2c(C)cccc21 4987993 ZKCUGMOPDAWNIT-FQEVSTJZSA-N 323.392 2.751 0 40 DFAB Brc1cnc(Nc2ccc3c(c2)OCCO3)nc1 67119663 PJATXPLETATWGC-UHFFFAOYSA-N 308.135 2.754 0 40 DFAB O=C(COc1ccccc1)Nc1ccccc1C(=O)NC1CC1 7596988 ZRRKJAQHNOBCFO-UHFFFAOYSA-N 310.353 2.596 0 40 DFAB Cc1nn(CC(=O)N(C)[C@@H](C)c2ccccn2)c(C)c1Cl 68000669 YGTCCYKBRQZNRW-NSHDSACASA-N 306.797 2.768 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 7725063 UYRWSKPCPWJRLD-UHFFFAOYSA-N 323.801 2.925 0 40 DFAB O=C(CC1CC1)N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 119212371 VRXZDDCIKRAEMK-ZDUSSCGKSA-N 324.306 2.829 0 40 DFAB O=C(/C=C/c1cccs1)NCCc1ccc2c(c1)OCCO2 9478227 TXZIPQBYMDWXME-GQCTYLIASA-N 315.394 2.891 0 40 DFAB CCC(CC)c1cc(CNC(=O)c2cc(C(=O)OC)co2)on1 97115638 VNPHHULSBSURHH-UHFFFAOYSA-N 320.345 2.888 0 40 DFAB CCCc1nnc(NC(=O)N[C@H](C)Cc2c(C)noc2C)s1 96415784 IEQJEIJHIQGYKL-MRVPVSSYSA-N 323.422 2.848 0 40 DFAB Cc1cc(NC(=O)NC2CCOCC2)n(Cc2ccccc2)n1 71808612 HHNGHTOIDDAZLA-UHFFFAOYSA-N 314.389 2.540 0 40 DFAB CCOC(=O)C1CCN(C(=O)N2CCc3sccc3C2)CC1 72306272 YANXRTCQFJYWKS-UHFFFAOYSA-N 322.430 2.501 0 40 DFAB Cc1cc2ncn(C[C@@H](O)CSc3nccn3C)c2cc1C 71948334 GOZIEMBPGINSLP-CYBMUJFWSA-N 316.430 2.540 0 40 DFAB CC[C@H]1NC(=O)N(CCCOc2ccc3ccccc3c2)C1=O 72311035 XLMXGFSXZKMJSW-MRXNPFEDSA-N 312.369 2.939 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)Nc1sccc1C(N)=O 9642127 YVHLYDHKLBCRBL-UHFFFAOYSA-N 324.789 2.826 0 40 DFAB COc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC)c(O)c1 83927854 OXRPEEYMCATCMR-CABCVRRESA-N 313.353 2.695 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@@H](c1ccc(F)cc1)c1ccccn1 95395680 XRMDYZZAQAESON-INIZCTEOSA-N 310.332 2.772 0 40 DFAB CCCOc1ccc(OCC(=O)N[C@@H](CC)C[C@@H](C)CO)cc1 84758564 CMDNBPSIRHTRQJ-CABCVRRESA-N 323.433 2.768 0 40 DFAB C[C@@H](NC(=O)c1ccn2ccnc2c1)[C@H]1COc2ccccc21 95438412 PIVOGWKQDIHQEM-IUODEOHRSA-N 307.353 2.629 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](NCc1nnc3n1CCC3)CCCO2 95419878 XLFMVWQMVGOMQN-HNNXBMFYSA-N 312.417 2.845 0 40 DFAB NC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 95971559 NFRIUXQPXPHMQU-AWEZNQCLSA-N 304.409 2.835 0 40 DFAB COC[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 95979580 YCGKCOPNUUFEBB-CHWSQXEVSA-N 318.200 2.568 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCC(C)(C)OC)o1 95944853 FNGMKUXPAQVVRV-ZDUSSCGKSA-N 310.394 2.698 0 40 DFAB CNC(=O)c1ccc(Cl)cc1NCc1noc(C(C)C)n1 86202260 PLCZIHWBOWMEHB-UHFFFAOYSA-N 308.769 2.818 0 40 DFAB Cc1cccc(C2(C(=O)N[C@H]3CCC(=O)N(C)C3)CCCC2)c1 75143128 BBAVGVVIXWFADP-INIZCTEOSA-N 314.429 2.544 0 40 DFAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)C1(O)CCCCC1 86539972 SQCAOXVQMDICBP-OAHLLOKOSA-N 320.408 2.606 0 40 DFAB CC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1cccs1 89947955 NFDSHDWENWMRBB-NWDGAFQWSA-N 303.449 2.688 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)NCc2ncc[nH]2)cc1 89954775 NIWABUCAMSBFMH-UHFFFAOYSA-N 316.361 2.688 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 89950072 HUIJHJGRNGZLOZ-AWEZNQCLSA-N 302.399 2.843 0 40 DFAB Cc1cc(=O)oc2ccn(CCc3c[nH]c4ccccc34)c(=O)c12 1547139292 MOQCLUYIPSLHSF-UHFFFAOYSA-N 320.348 2.987 0 40 DFAB biogenic O=C(NC1CC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 23143110 VQIVOXUSOQGMDJ-UHFFFAOYSA-N 322.412 2.639 0 40 DFAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCOC(C)C 20495754 DUAVXNBWLZADRN-INIZCTEOSA-N 309.406 2.784 0 40 DFAB COc1ccc(CC(=O)NCCCc2cccc(OC)c2)cc1 30860352 OTUVZLOLYYHJPL-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB Cc1ccc2nsnc2c1NC(=S)NC(=O)CC(C)C 408572216 HJLRRPFBUXAIHT-UHFFFAOYSA-N 308.432 2.859 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C 408622169 MSXCOFBCDZERSH-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 36056308 VFCCNJCFFPULCZ-YVSFHVDLSA-N 322.788 2.558 0 40 DFAB Cc1nc2ccnn2cc1C(=O)Nc1cnc2c(c1)CCCC2 515206255 ZECHDIVMSUIWSF-UHFFFAOYSA-N 307.357 2.564 0 40 DFAB Cc1cnc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl 72411111 WWINDAUYBILPGN-JTQLQIEISA-N 313.785 2.827 0 40 DFAB c1ccc(Cc2noc(C3CN(Cc4ccccn4)C3)n2)cc1 75156423 MXNKWYKGOXNACU-UHFFFAOYSA-N 306.369 2.655 0 40 DFAB FC(F)(F)Cn1cnnc1SCc1ccc2nonc2c1 521394560 YJQONZZMHFENCO-UHFFFAOYSA-N 315.280 2.669 0 40 DFAB Cc1ncc(COC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)s1 78445822 JOHBIIQEUHASII-QMMMGPOBSA-N 318.354 2.528 0 40 DFAB COCCO[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(C)c2C)C1 188798122 XIZTWGAIGMNWEC-HOTGVXAUSA-N 320.433 2.811 0 40 DFAB CC(C)OC(=O)c1cc(-n2cnnc2)ccc1Br 72210098 LLZUCBXWOCSNAL-UHFFFAOYSA-N 310.151 2.595 0 40 DFAB Cn1ncc2ccc(CNc3ncnc4c3ncn4C3CC3)cc21 562393610 IUUBQVGKKUPWEL-UHFFFAOYSA-N 319.372 2.660 0 40 DFAB CN(C)c1[nH]c2cccc(I)c2c1C=O 43828083 KYIADPGGPXXRMW-UHFFFAOYSA-N 314.126 2.651 0 40 DFAB CCCCOCCOC(=O)c1snnc1-c1cccnc1 223850557 MMQUHUMIIUGIDS-UHFFFAOYSA-N 307.375 2.574 0 40 DFAB Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1F 225535755 REGYGUIQZPFHKV-UHFFFAOYSA-N 300.337 2.777 0 40 DFAB CC(=O)Nc1nn2c(-c3ccc(F)c(Cl)c3)nnc2s1 41076562 SYTPUVHSXHHLTP-UHFFFAOYSA-N 311.729 2.604 0 40 DFAB COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958357 QGMJGLWUDAVQAZ-CQSZACIVSA-N 307.349 2.784 0 40 DFAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C)CC2)c1 45583335 CGCHJTRTGZWPDM-OAHLLOKOSA-N 304.434 2.660 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2cc(C)on2)cc1 583615658 YWNKIXHWSMZGPO-QZTJIDSGSA-N 316.401 2.864 0 40 DFAB COc1ccccc1CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 95749126 VEPVSKSGBVOZHS-LBPRGKRZSA-N 309.362 2.606 0 40 DFAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccsc1 96201249 RAKNZWKCJKBUMK-ZDUSSCGKSA-N 313.430 2.766 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)/C=C/c1cscn1 96431670 SIIYTOFXCLMOHM-GUOLPTJISA-N 318.398 2.749 0 40 DFAB Cn1ccc2cc(C(=O)Nc3nc(C(F)(F)F)n[nH]3)ccc21 95476296 GQEGKQYNQPIEQQ-UHFFFAOYSA-N 309.251 2.568 0 40 DFAB O=C1CC[C@@H](C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)N1 97371001 YTFCWCIWSASAPA-IZYAJXRASA-N 318.442 2.811 0 40 DFAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 96450611 IZFVNPLLLTVGEL-LSDHHAIUSA-N 318.442 2.975 0 40 DFAB O=C([C@@H]1CCc2ccccc2C1)N1CCC(c2ncc[nH]2)CC1 95509303 NINNIYYCNIPKNQ-QGZVFWFLSA-N 309.413 2.921 0 40 DFAB O=C(c1ccsc1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 247874670 SPEBZGCEUORQNT-JYJNAYRXSA-N 321.442 2.937 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCOc3ccccc3F)C2)n1 257203757 ARNBSGSIPNLHCV-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB COC(=O)c1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1 257266375 MCSIBCWFAUOPMB-YLFCFFPRSA-N 317.385 2.608 0 40 DFAB Cc1ccc(-c2nc(CC(=O)NC[C@H]3CCCOC3)cs2)o1 55924622 ZMPBFSRNMDQRRU-GFCCVEGCSA-N 320.414 2.797 0 40 DFAB CCCCOc1ccc(NC(=O)N[C@@H](C)C(=O)NCC)c(C)c1 69415522 WJCVLYLZCMELEI-ZDUSSCGKSA-N 321.421 2.820 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 77967833 JABVYFJKVWTMMA-NSHDSACASA-N 316.361 2.856 0 40 DFAB CCc1oc(C(=O)N2CCOC[C@H]2c2cccn2C)cc1C 97144010 BJLJKMLUASFCJO-AWEZNQCLSA-N 302.374 2.703 0 40 DFAB CC(C)(C)OC(=O)COc1ccc(C=O)cc1Br 15042196 DXIMGGKOTCJKAJ-UHFFFAOYSA-N 315.163 2.982 0 40 DFAB CCc1ccc(NC(=O)[C@H](C)Sc2nnnn2C(C)C)cc1 16452828 OJQIXPQOTLINGR-NSHDSACASA-N 319.434 2.936 0 40 DFAB CCc1nnc(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)o1 7342696 FTCULGDPYJCGAN-YFHOEESVSA-N 321.314 2.758 0 40 DFAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)[C@H]1CC=CCC1 225571815 AWQKRCUJEWYJEV-JKSUJKDBSA-N 308.491 2.676 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1ncc(C)s1)c1ccc(C)cc1 11987262 UYZCVXXOJDHRLH-AWEZNQCLSA-N 317.414 2.966 0 40 DFAB C[C@H]1CCc2sc(-c3nnc(SCC(N)=O)o3)cc2C1 7130994 YPBKCVOMNAQCGP-ZETCQYMHSA-N 309.416 2.500 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 1848352189 XCBRPKHESYTHRY-CQSZACIVSA-N 320.396 2.825 0 40 DFAB Cc1cnn(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)c1 1848785246 CXMZJJHWEPEOHO-UHFFFAOYSA-N 323.318 2.983 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CC(Oc2cccnc2)C1 238919136 SUQIMMUCGANXDT-UHFFFAOYSA-N 306.724 2.778 0 40 DFAB CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccco1 269566 UUPAIDPZDPBYCV-UHFFFAOYSA-N 310.309 2.873 0 40 DFAB CCCN1CNc2c(c(=O)[nH]c(=S)n2-c2cccc(F)c2)C1 19874648 FQAXMYITAIAVPE-UHFFFAOYSA-N 320.393 2.629 0 40 DFAB CCCc1ccc(C(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1 575614955 AUYNUKMJPCKDOM-INIZCTEOSA-N 300.406 2.685 0 40 DFAB O=C(Cc1ccsc1)NC[C@@](O)(c1cccs1)C1CC1 206700327 DQNXVOSHHZQMQB-HNNXBMFYSA-N 307.440 2.766 0 40 DFAB CN(CC(=O)Nc1ccccc1)C(=O)[C@]1(C)CC1(Cl)Cl 40512627 ORAJECISRCQQOI-ZDUSSCGKSA-N 315.200 2.667 0 40 DFAB Cc1sc2nc(SCC(=O)NCC3CC3)nc(N)c2c1C 31823315 OLTPJPVGXVICNK-UHFFFAOYSA-N 322.459 2.509 0 40 DFAB COCc1ccc(CNC(=O)CN(C)Cc2ccccc2)cc1 51122581 QXYRLBDALRMNDG-UHFFFAOYSA-N 312.413 2.581 0 40 DFAB CCCn1nnnc1COC(=O)c1cc2ccc(F)cc2s1 32745466 MLXWVIXXZGUDJI-UHFFFAOYSA-N 320.349 2.794 0 40 DFAB O=C(NCCc1ccc2c(c1)OCO2)C1=Cc2ccccc2OC1 32744811 INXQCIDBYURYCC-UHFFFAOYSA-N 323.348 2.550 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccc(F)cc2)c1 32788836 IRVWJIQPVHZFQB-UHFFFAOYSA-N 304.321 2.507 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)NCCCc1ccccc1 2636502 LAIATGCGAKGGFS-UHFFFAOYSA-N 317.410 2.962 0 40 DFAB O=C(NCCNc1cnccn1)c1ccc(Cl)c(Cl)c1 32828251 ATRCHCRUEHJWFE-UHFFFAOYSA-N 311.172 2.625 0 40 DFAB Cc1csc(CNC(=O)c2ccc3c(c2)OCCCO3)n1 32882233 UXPURKBNYARGPM-UHFFFAOYSA-N 304.371 2.543 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)Nc1ccn(C)n1 2781445 ZQBXURXNWPDOKA-ZETCQYMHSA-N 317.727 2.716 0 40 DFAB c1cnc2c(CN3CCn4c(nnc4C4CC4)C3)cccc2c1 78787983 BXDNAHPKTFUDOY-UHFFFAOYSA-N 305.385 2.720 0 40 DFAB CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(F)ccc1F 79018546 LIFDIZJIXKVADE-JOCHJYFZSA-N 323.364 2.974 0 40 DFAB COc1ccc(-c2nnc(NC(=O)C(C)C)s2)c(OC)c1 3227467 YQJWACDYFWSYHA-UHFFFAOYSA-N 307.375 2.817 0 40 DFAB O=C(c1ccccn1)c1ccccc1I 6095242 WEIIEZGIHJXLBT-UHFFFAOYSA-N 309.106 2.917 0 40 DFAB COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678548 DIZUGBBYDMWLGI-ZANVPECISA-N 303.387 2.890 0 40 DFAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 6843733 PKMUYGGMZWXBDA-UHFFFAOYSA-N 314.407 2.579 0 40 DFAB N[C@H](CC(=O)O)c1cnc(-c2ccc(Cl)c(Cl)c2)nc1 8730993 YMQYQYNJEIYSCC-LLVKDONJSA-N 312.156 2.925 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1 3190903 KPTXLBXBGAOYCO-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB CCCc1noc([C@@H](C)N2CCN(c3ccc(O)cc3)CC2)n1 23053578 DHLASAJEAZHKGY-CYBMUJFWSA-N 316.405 2.611 0 40 DFAB COC(=O)CSCC(=O)Nc1ccc(N2CCCCC2)cc1 12543144 RUISDPVWDALKBA-UHFFFAOYSA-N 322.430 2.522 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)c2cnn(C)c2C)n1 72273780 KGKWXPCLTPRFJS-CYBMUJFWSA-N 304.419 2.861 0 40 DFAB CCOC(=O)c1cc2cc(C(=O)N3CCCCC3)ccc2[nH]1 24477497 INTHUBAQKZLDTI-UHFFFAOYSA-N 300.358 2.971 0 40 DFAB O=C(Nc1cc[nH]c(=O)n1)c1sc2ccccc2c1Cl 3235916 XPPDVWGHPJLMRF-UHFFFAOYSA-N 305.746 2.890 0 40 DFAB CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cccc(F)c1F)C2 108532842 UXDJMGLZJKKPNJ-SUMWQHHRSA-N 308.372 2.703 0 40 DFAB O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(=O)[nH]c1 55867946 VGDPSKTWRYITTE-LBPRGKRZSA-N 310.275 2.798 0 40 DFAB C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1ccnc1 56484178 NWWBSWXJBFRJJI-KCXAZCMYSA-N 317.364 2.620 0 40 DFAB Cc1ccc(-c2noc(CC3(CS(C)(=O)=O)CC3)n2)cc1F 178204728 HSAYUIFEBIBFQU-UHFFFAOYSA-N 324.377 2.551 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 69967965 KFNGNXUKUKQBCY-ZBFHGGJFSA-N 315.421 2.548 0 40 DFAB CCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 27584750 MHIZOTDICGQJOI-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CCN(CC)CCn1cc(NC(=O)c2cccc(C)c2)cn1 58162342 ORYYQAPNWRFIPJ-UHFFFAOYSA-N 300.406 2.786 0 40 DFAB O=C(Nc1cccc(Cl)c1)NC1(CO)Cc2ccccc2C1 72288979 RIGITTZZLAJOAH-UHFFFAOYSA-N 316.788 2.991 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)c2ccc(F)c(F)c2)no1 44948351 CVEZENNDQJWJOT-UHFFFAOYSA-N 316.329 2.619 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)NC1CC1 10860053 CKUMSOGLUFVZKG-SNVBAGLBSA-N 316.332 2.506 0 40 DFAB COc1cc(C(C)=O)ccc1Oc1nnnn1-c1ccccc1 3409029 GJIFQAZIXJGNKW-UHFFFAOYSA-N 310.313 2.666 0 40 DFAB NC(=O)[C@@H](OC(=O)c1cccc2ncccc12)c1ccccc1 11199086 DSPTXPCYYHKYRO-INIZCTEOSA-N 306.321 2.618 0 40 DFAB CCOC(=O)[C@@H]1CS[C@H](c2ccc(Br)cc2)N1 59446075 FPKPUKIYBVHYPU-WDEREUQCSA-N 316.220 2.716 0 40 DFAB Cn1c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2ccccc21 69777311 MIIUCNRHUUGLJZ-OAHLLOKOSA-N 308.385 2.680 0 40 DFAB COc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12980677 VIOXELAATBMQPS-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB O=c1c2cc3c(nc2nc(S)n1-c1ccccc1)CCCC3 8739612 LDVQXWLXNZAYLB-UHFFFAOYSA-N 309.394 2.948 0 40 DFAB Cn1cncc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65397718 XFGCCOCLBQYARN-VQTJNVASSA-N 321.424 2.924 0 40 DFAB Cc1sc2ncnc(NCC(=O)NCc3ccco3)c2c1C 14186892 IOEUYXRNPGDMSL-UHFFFAOYSA-N 316.386 2.629 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H](n2cccn2)C1 65608560 ZGEQFWJMTZYFGX-HOCLYGCPSA-N 313.426 2.764 0 40 DFAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OC)nc1 14268882 LDAHOEUDKIKJKR-UHFFFAOYSA-N 323.352 2.546 0 40 DFAB CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 5492227 YRKIQFXNGJGFOK-UHFFFAOYSA-N 302.403 2.812 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O 8938673 CDTAPWXMMFVAIP-NSHDSACASA-N 324.764 2.535 0 40 DFAB O=C(Nc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5603985 SUHPKKRWPTWCDN-MRXNPFEDSA-N 323.352 2.985 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2ccccc21 14903657 CLUOOLAIJUXXNX-OAHLLOKOSA-N 315.394 2.507 0 40 DFAB CCCn1c(SCC(=O)c2cc(C)ccc2C)n[nH]c1=O 5966148 QWRXCRRDIJXLRA-UHFFFAOYSA-N 305.403 2.573 0 40 DFAB COC(=O)CCSc1nnc2cc(C)c3ccccc3n12 7034811 OOVCLMPKBOBRKY-UHFFFAOYSA-N 301.371 2.846 0 40 DFAB O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCC[C@@H](CO)C1 67470031 VFILRYQRWQUVQA-CYBMUJFWSA-N 322.836 2.786 0 40 DFAB CC(C)CCNS(=O)(=O)c1cccc(Br)c1 7374325 WFIQKBUPSJCPCZ-UHFFFAOYSA-N 306.225 2.774 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 9153942 MCFOHKNBZGFMPH-WBVHZDCISA-N 314.429 2.764 0 40 DFAB COc1ccc(S(=O)(=O)NCCc2ccccc2)c(C)c1C 7616219 UJAFLKPMCZXYTD-UHFFFAOYSA-N 319.426 2.833 0 40 DFAB O=C(NOCc1ccccc1)c1ccc(CN2CCCC2=O)cc1 8097027 GLHYJIXBTWWKOG-UHFFFAOYSA-N 324.380 2.671 0 40 DFAB CCOc1ncccc1CNC(=O)N[C@H](C)c1nc(C)cs1 69264990 GALLBGDVIWHXPK-LLVKDONJSA-N 320.418 2.806 0 40 DFAB Cc1cc(NC(=O)NCCc2nc3c(s2)CCCC3)no1 69414142 NHKZZDKQERGHEK-UHFFFAOYSA-N 306.391 2.683 0 40 DFAB C[C@H](CNC(=O)CCc1ccncc1)N1CCc2ccccc2C1 69486611 VTOLXRLNSTVDEW-MRXNPFEDSA-N 323.440 2.577 0 40 DFAB O=c1c2ccccc2ncn1Cc1nc(-c2cccs2)no1 8401920 IOOGRWUROUTWRQ-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H](n2ccnc2)C1 71796524 CQKQGBYLCQPODH-HOCLYGCPSA-N 313.426 2.764 0 40 DFAB Cc1ccc(-c2csc(NC(=O)CN3CCCC3=O)n2)s1 84205781 PKZRRILMDIVZDH-UHFFFAOYSA-N 321.427 2.741 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)N1CCO[C@@H](C)[C@@H]1C 96476986 AAQLPIKUTDZDML-GJZGRUSLSA-N 320.433 2.930 0 40 DFAB Cc1cc(F)ccc1C(=O)Nc1cncnc1N1CCCC1 97137724 XJWXFJLBEJNGNO-UHFFFAOYSA-N 300.337 2.777 0 40 DFAB Cc1noc(C)c1NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 71903851 YHBSNVLKYYWXAN-SECBINFHSA-N 321.764 2.702 0 40 DFAB Cc1c(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cnn1C 97048324 AIMJGDYZQPLNGX-NSHDSACASA-N 320.359 2.895 0 40 DFAB CNS(=O)(=O)c1ccc([C@H](C)Nc2cc(C)cc(C)n2)cc1 97038367 NLTFZFSFGHMSMD-ZDUSSCGKSA-N 319.430 2.780 0 40 DFAB O=C(CCc1ccccn1)Nc1cnn(-c2ccccc2F)c1 84514999 OPZCKUBHEOARBZ-UHFFFAOYSA-N 310.332 2.978 0 40 DFAB COCC[C@H](C)NC(=O)N1CCC[C@H](Nc2ccccc2)C1 95418935 KBVPMXRKVCNXJE-HOCLYGCPSA-N 305.422 2.698 0 40 DFAB CC[C@](C)(NC(=O)[C@@H](C)Sc1ccc(OC)cc1)C(=O)O 95424534 GSXKFLFPGQXQRS-BMIGLBTASA-N 311.403 2.545 0 40 DFAB Cc1ccc(CN2CCCN(Cc3noc(C)n3)CC2)c(C)c1 95430511 DJQGNCJHAMYCDY-UHFFFAOYSA-N 314.433 2.703 0 40 DFAB Cc1ccc(NC(=O)Cn2ncc3ccccc32)cc1C(=O)O 95970802 LJGHVWPYLIBNTA-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB COC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc2oc(C)nc2c1 95994656 MLUGMCWPTPCJGB-RYUDHWBXSA-N 302.330 2.664 0 40 DFAB CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2cnn(C)c2)C1 74474940 CXRIBJJGNDIJFJ-JSGCOSHPSA-N 310.467 2.798 0 40 DFAB O=C(NC[C@H]1CSCCS1)Nc1ccc(F)c(F)c1 75109147 HOHQBWBARWOGGW-VIFPVBQESA-N 304.387 2.935 0 40 DFAB C[C@H]1CN(Cc2ccc(F)c(Br)c2)C[C@@H]1N(C)C 89937219 HWYOPNGNAHWWMD-HZMBPMFUSA-N 315.230 2.970 0 40 DFAB CCCC1(CNC(=O)NC[C@H]2CC(=O)Nc3ccccc32)CC1 89949880 BKCJGRWOHRNMHI-CYBMUJFWSA-N 315.417 2.992 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)O)c1)C2=O 3111315 RJZCEWWZBKTLLG-YVEFUNNKSA-N 301.342 2.701 0 40 DFAB biogenic Cc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C)CC3)c1 71979923 CTPZFUPREXBWAP-HBSPSFQMSA-N 317.385 2.827 0 40 DFAB Cc1ccnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 72203217 SCVIAQBCHQHYOU-UHFFFAOYSA-N 306.410 2.621 0 40 DFAB C[C@@H](c1cnccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203749 KCTYSEIGRUIQPC-ZDUSSCGKSA-N 320.437 2.774 0 40 DFAB COCCCNC(=O)c1cc2c([nH]c3ccccc32)c(=O)s1 1565524774 NJSBJDJSKXWMLR-UHFFFAOYSA-N 316.382 2.509 0 40 DFAB Cc1cc(C(N)=O)ccc1NCC(=O)Nc1c(C)cccc1C 32913404 SILXJMAVUKPBTD-UHFFFAOYSA-N 311.385 2.761 0 40 DFAB O=C(NCc1nc(-c2ccccc2)no1)c1cc(C2CC2)on1 38489031 WCKDDNUUEVAKHT-UHFFFAOYSA-N 310.313 2.532 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 74928360 FGLAGGJBRYSGRG-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB C[C@H](c1ccccc1)[C@H](CO)Nc1ncc(Br)cn1 78882443 GKIVYMRFUPAVBF-MFKMUULPSA-N 322.206 2.816 0 40 DFAB CC(C)(C)OC(=O)N1[C@@H]([C@@](C)(O)C(F)(F)F)COC1(C)C 72208815 LMDJIELGQVMKHL-PRHODGIISA-N 313.316 2.672 0 40 DFAB COc1ccc(CNC(=O)c2nnc(-c3ccccc3)o2)cc1 41124400 VGMRUXUUKDULLN-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB COc1ccc(C[C@](C)(O)CNC(=O)Nc2cccs2)cc1 75155583 IIBASFDKFXRCDZ-INIZCTEOSA-N 320.414 2.872 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)CSc2ccc(F)cc2)o1 49026802 VJNOZRMLKPBXAI-ZDUSSCGKSA-N 309.362 2.669 0 40 DFAB O=C(c1ccc(C(=O)N2CCOCC2)cc1)C1CCCCC1 80340436 DSWJXNOOOPNXSS-UHFFFAOYSA-N 301.386 2.922 0 40 DFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CC=CCC1 225753455 ABAQPULGOXVLAX-CQSZACIVSA-N 314.433 2.728 0 40 DFAB COc1cccc(OC)c1C(=O)NCCOc1ccccc1C 193865462 SLSIAHUGXQSYRJ-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB Cc1ccc(-c2nnsc2C(=O)NCc2cccnc2)cc1 225773359 JZHLGXKWQZLOIX-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB CN(C)c1ccccc1NS(=O)(=O)Cc1cccc(F)c1 96462640 LXOCRMXDDWYCQM-UHFFFAOYSA-N 308.378 2.834 0 40 DFAB CCN(CC)Cc1cn2c(n1)CN(Cc1ccsc1)CC2 96197179 DDFLNNAEXWCOJL-UHFFFAOYSA-N 304.463 2.802 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 97198348 WALOYITXFFYDJY-LBPRGKRZSA-N 318.446 2.825 0 40 DFAB c1csc(CN2CCc3ncc(CN4CCCC4)n3CC2)c1 96196850 AMUSTGVYZHQETJ-UHFFFAOYSA-N 316.474 2.599 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)C1=CCCCO1 96475425 LHGDRBDBMVMVHX-UHFFFAOYSA-N 317.172 2.578 0 40 DFAB COc1ccc(C)nc1NC(=O)c1ccc(-n2ccnc2)cc1 96445626 QBENVMDKKWYYEN-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1cccc(C)c1 96521415 RAXPNDJIINDKBW-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB O=C(Nc1ccsc1)[C@H]1CN(Cc2ccccc2)CCO1 96420845 VQEFULVZZVZQGF-OAHLLOKOSA-N 302.399 2.588 0 40 DFAB COc1c(Br)cc(C(=N)N)cc1Br 96125957 QKQSWKDODJIDPD-UHFFFAOYSA-N 307.973 2.504 0 40 DFAB CC(C)N(C)C[C@H]1CCC2(CCN(c3nncs3)CC2)CO1 96224955 IFZZSKKIBVJCRC-CQSZACIVSA-N 324.494 2.644 0 40 DFAB Cc1oncc1CN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C 97103507 FWEGAWXDOYGYQU-CQSZACIVSA-N 309.410 2.814 0 40 DFAB Cc1ccccc1NC(=O)N1CC2CC1(C(=O)N1CCCC1)C2 96252614 GFOGLNKQALFUJJ-UHFFFAOYSA-N 313.401 2.614 0 40 DFAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)o1 96502106 OAPUZKYNNAVLRX-UONOGXRCSA-N 322.405 2.834 0 40 DFAB C[C@H]1CCOCCN1C(=O)NCCCO[C@H](C)c1ccccc1 91598326 UABNOWXVKWLQRF-JKSUJKDBSA-N 320.433 2.975 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@@H]12 248085530 BCYPBELOXVVJNR-IEBWSBKVSA-N 310.397 2.768 0 40 DFAB CNc1cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)ccn1 257286314 PLCGNBRFYVKTEM-CYBMUJFWSA-N 316.430 2.908 0 40 DFAB Cc1cc([C@H]2CN(Cc3ccc(F)cc3F)CCO2)nc(C)n1 257307598 SZKIDILUOBJJAA-QGZVFWFLSA-N 319.355 2.945 0 40 DFAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3cnccn3)C2)cc1 257276907 NVQLMNVRKDALCK-KRWDZBQOSA-N 324.428 2.558 0 40 DFAB CCc1sc([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@H]2C)cc1C 253370415 QQDPZMADRRAUDO-COPLHBTASA-N 317.476 2.777 0 40 DFAB O=C(c1cncnc1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 257285228 PGESUAOVWRWEBW-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)nc1 260733053 DVFUYCRBLVOVSZ-AWEZNQCLSA-N 306.479 2.798 0 40 DFAB C[C@H](Oc1cccnc1)C(=O)N1Cc2ccccc2OC[C@H]1C 272969227 OUAQQAAIGDYIJQ-KGLIPLIRSA-N 312.369 2.659 0 40 DFAB O=C(O)[C@@H]1CN(c2ncc(C(F)(F)F)s2)C[C@H]1C1CC1 652538242 OQAMBAXEJCDAEH-JGVFFNPUSA-N 306.309 2.709 0 40 DFAB Cc1cccnc1CNC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585287362 YQYFKNHHNXSADJ-ATZDWAIDSA-N 312.413 2.698 0 40 DFAB C[C@]12CCCN(CC3(O)CCCCCC3)[C@H]1CCCC(=O)N2 585282468 DSUWNPZNQWTMOU-RDJZCZTQSA-N 308.466 2.595 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCCN2C 66028409 AGDLHZCQLCVFMO-BBRMVZONSA-N 318.417 2.592 0 40 DFAB CCOc1ccc(NC(=O)COc2ccc(C)cc2)c(N)c1 76859781 CRIUAOKCRDHALQ-UHFFFAOYSA-N 300.358 2.993 0 40 DFAB CS(=O)(=O)Cc1ccc(NC(=O)c2ccsc2)cc1F 83984731 CBVDIDDSOQCYDI-UHFFFAOYSA-N 313.375 2.684 0 40 DFAB CCCn1nccc1NC(=O)NC[C@@H](C)c1ncc(C)s1 97374820 GTVCQKIUIMNNOU-SNVBAGLBSA-N 307.423 2.983 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(N)s1 7534563 GFRDTOKXVQLHFA-UHFFFAOYSA-N 314.823 2.813 0 40 DFAB COC(=O)N1[C@H]2C=C[C@H](C2)N1C(=O)Nc1ccc(Cl)cc1 5511010 UYRRFYWYXVLLMV-NEPJUHHUSA-N 307.737 2.868 0 40 DFAB CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 5481069 IUDYOCYEYLDKDX-UHFFFAOYSA-N 303.387 2.605 0 40 DFAB Nc1nc(CSc2nnc3c(n2)[nH]c2ccccc23)cs1 18093685 BCBZNEZCZHDODB-UHFFFAOYSA-N 314.399 2.837 0 40 DFAB COc1ccc(CN(C)C(=O)C[C@@H](C)n2cccn2)cc1OC 19455075 IHBPOBSCPXSSII-CYBMUJFWSA-N 317.389 2.510 0 40 DFAB C[C@H](Cc1ccccn1)N(C)Cc1ccnc(N2CCCC2)n1 19456964 LHVCMLVCBWJFEY-OAHLLOKOSA-N 311.433 2.535 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1ccc2c(c1)CCCO2 19458861 YULZEEGNBIZDKV-FZMZJTMJSA-N 317.385 2.531 0 40 DFAB O=C(N[C@@H]1CCOC2(CCC2)C1)c1cnc(O)c2ccccc12 530337705 GVSQNIZUWAOKBO-GFCCVEGCSA-N 312.369 2.772 0 40 DFAB CC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888846828 XTBLGBISKVQNTG-GASCZTMLSA-N 312.417 2.532 0 40 DFAB COc1cc(OC)c(C(=O)NCCc2cccs2)cc1OC 25695973 ABDOCTWMLMMJNQ-UHFFFAOYSA-N 321.398 2.746 0 40 DFAB O=C(Cn1ccnc1)N[C@H](c1ccc(F)cc1)c1cccs1 29594399 UPJPKKCIBGIFLU-MRXNPFEDSA-N 315.373 2.990 0 40 DFAB CC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 29807376 VZIBBVXATMQWSG-OAHLLOKOSA-N 324.852 2.876 0 40 DFAB Cc1csc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)n1 245053689 PGFVGESLLVLUFR-LBPRGKRZSA-N 319.386 2.657 0 40 DFAB CC(C)N1CCCC[C@@]2(CN(Cc3cccs3)CCO2)C1=O 2037981079 TUBXWMYOYPCZSY-QGZVFWFLSA-N 322.474 2.740 0 40 DFAB CC(C)(C)c1cnc(CN2CCNC(=O)[C@@H]2c2cccs2)o1 72798950 VORQPBLIZAOQDL-AWEZNQCLSA-N 319.430 2.707 0 40 DFAB CN(C)C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 40009832 CFYOKNYDBODTGI-QZTJIDSGSA-N 324.424 2.657 0 40 DFAB CC[C@@H](NC(=O)CCNC(=O)c1ccoc1)c1cccs1 40556142 KSVRVGVQTPFWKT-GFCCVEGCSA-N 306.387 2.729 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CCOC[C@@H]1CCCO1 40530080 TYGGEJCZDCNPAH-LBPRGKRZSA-N 313.781 2.873 0 40 DFAB Cc1ccccc1NC(=O)[C@@H]1C=NN(c2ccc(F)cc2)C1=O 102293750 HNJXGWHXGNMJRD-AWEZNQCLSA-N 311.316 2.721 0 40 DFAB COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCC2 91629 UJGDDDPTRUGVSD-JTQLQIEISA-N 309.387 2.531 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 116206 OXGZOUYLAIJZPM-UHFFFAOYSA-N 319.158 2.800 0 40 DFAB C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(Cl)s1 32817605 ALZTVJUZRIOGRI-MRVPVSSYSA-N 302.827 2.741 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cccnc1Cl 32816816 HTYIQUWDTDKGCW-UHFFFAOYSA-N 317.732 2.944 0 40 DFAB Nc1nccnc1C(=O)N[C@H](Cc1ccccc1)C1CCCC1 78727368 XLLBHJVTVFUEBY-OAHLLOKOSA-N 310.401 2.590 0 40 DFAB O=S(=O)(N1CCC[C@H]2CCC[C@@H]21)N1CCC[C@@H]1c1ccco1 78881102 JLIZSUQLJXKLCR-QLFBSQMISA-N 324.446 2.926 0 40 DFAB CC(C)[C@@H](CO)NC(=O)N[C@@H](c1ccccn1)C1CCCC1 79012732 KDXVTDQMZXNPBS-HZPDHXFCSA-N 305.422 2.629 0 40 DFAB O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccccn2)cc1 32933171 AZXJLYIWPWSIIY-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB O=C(NCC1CC1)c1ccc(F)cc1I 32924497 KLHOKDLQRMNODF-UHFFFAOYSA-N 319.117 2.570 0 40 DFAB Cc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)no1 52773249 HGAGNOACINSZKU-UHFFFAOYSA-N 310.357 2.500 0 40 DFAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCOCC1 61550311 JACQBGTWLUKODY-UHFFFAOYSA-N 317.320 2.877 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2nnco2)c1 47487505 UQBSBJHCBJQFNW-GFCCVEGCSA-N 316.361 2.627 0 40 DFAB Cc1cc(-c2nnc3sc(CCc4ccccc4)nn23)[nH]n1 22501710 DVLMWVZITXMARX-UHFFFAOYSA-N 310.386 2.670 0 40 DFAB COCCN(CCOC)C(=O)c1cc(Cl)cc(Cl)c1 47654190 HWWJPLWTQZHSHA-UHFFFAOYSA-N 306.189 2.728 0 40 DFAB O=C(Cc1ccc(-c2ccccc2)cc1)Nn1cn[nH]c1=S 9603339 JCPUGDZSKJFSNF-UHFFFAOYSA-N 310.382 2.920 0 40 DFAB O=C1c2ccccc2N[C@H](c2csnn2)N1Cc1ccco1 54681549 KSGUFPSTHNWYMN-AWEZNQCLSA-N 312.354 2.898 0 40 DFAB O=C(COC(=O)c1cccnc1N1CCCC1)c1cccs1 24014435 UJEAODSOPXPOGN-UHFFFAOYSA-N 316.382 2.783 0 40 DFAB COC(=O)c1ccoc1Cn1nc(C)c(Br)c1C 69925455 AWCYZRWTPHPLEV-UHFFFAOYSA-N 313.151 2.690 0 40 DFAB CN(C)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 24834271 DDXJKRZKZQKFTM-UHFFFAOYSA-N 316.361 2.837 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cccc(Cn2ccnc2)c1 25172868 MTXYWANXWPUCKI-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCCO1 1407137 ACFGTXDCSUKPSL-SECBINFHSA-N 322.714 2.592 0 40 DFAB Cc1c(Br)cc(C(=O)O)c(O)c1Br 1685048 TYCTYWBEPRPRDC-UHFFFAOYSA-N 309.941 2.924 0 40 DFAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CNCc3ccco3)[C@@H]1C2 108922406 SUJUFHXCSRMIJJ-VYDXJSESSA-N 305.418 2.739 0 40 DFAB CC(C)[C@@H](Sc1nnc(N)s1)C(=O)NCc1ccccc1 12684813 FWDUKJNLHFCLRV-LLVKDONJSA-N 322.459 2.553 0 40 DFAB Cc1cc(C)n(-c2oc(-c3ccccc3C)nc2C(=N)NO)n1 35672370 ZYBNPPRAANRQJS-UHFFFAOYSA-N 311.345 2.757 0 40 DFAB O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 48286663 XXUBMGQJSZCQHX-RDJZCZTQSA-N 312.413 2.823 0 40 DFAB CCc1nc(NC(=O)c2ccnc(-n3ccnc3)c2)sc1C 58192892 MMEBBTKJYWUJQW-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB Cc1ccccc1CC(=O)NCc1noc(-c2ccccc2)n1 58283079 OLGKXPDFUXRIKQ-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)c2n[nH]c3ccccc23)c1C 58210875 MDAHPQNZDCOJLV-UHFFFAOYSA-N 324.384 2.856 0 40 DFAB COc1ccc(Cl)cc1CS(=O)(=O)Cc1cc(C)on1 44938209 UHBWSOVZOZMTEU-UHFFFAOYSA-N 315.778 2.760 0 40 DFAB Cc1ccc(C)c(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 3318427 GBEGMQAAPDRIFS-KBPBESRZSA-N 303.402 2.965 0 40 DFAB CCN(CC)CCCN1CCC(NC(=O)OC(C)(C)C)CC1 58402056 SAENTPUFXGAGPJ-UHFFFAOYSA-N 313.486 2.707 0 40 DFAB CCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 28247637 KSRSXDOETZUYKB-UHFFFAOYSA-N 322.361 2.975 0 40 DFAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 12727429 WFAAKIYVLTULDT-LBPRGKRZSA-N 315.291 2.873 0 40 DFAB CC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 12793919 HSKSYVNKRVSVST-MRXNPFEDSA-N 307.357 2.795 0 40 DFAB Cc1noc(C)c1CN1CCN(c2nc3ccccc3o2)CC1 48365296 GQNCKUHYODVVPL-UHFFFAOYSA-N 312.373 2.755 0 40 DFAB CCc1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)[nH]1 11717171 ZXIZYMAYGZRTQD-ZETCQYMHSA-N 312.345 2.765 0 40 DFAB COc1ccc(C)cc1NC(=O)CCCNC(=O)c1ccco1 12888548 KHPJAWFQKBFVSV-UHFFFAOYSA-N 316.357 2.745 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 3452702 FQBPVPDVQDBRCO-ZDUSSCGKSA-N 312.369 2.901 0 40 DFAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1F 3415397 DRBHTTMSSXFIIQ-UHFFFAOYSA-N 320.389 2.666 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cnc2ccccc2n1 69948293 MXRYPMLKDSRBGB-SJORKVTESA-N 310.401 2.610 0 40 DFAB C[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NCCC1=CCCCC1 69592295 RPTVHLWVXYDEBS-PMPSAXMXSA-N 318.465 2.817 0 40 DFAB COCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12 17321402 OVPXGURHVKZXQX-UHFFFAOYSA-N 307.353 2.673 0 40 DFAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCCCC1)cn2C 22237293 NIUUUJKGJWJKOZ-UHFFFAOYSA-N 314.385 2.563 0 40 DFAB c1ccc2cc(OCCCN[C@H]3CCc4ncnn4C3)ccc2c1 69665011 MAXOWPZFKXKCRS-KRWDZBQOSA-N 322.412 2.805 0 40 DFAB O=C(Nc1ncccc1OCc1ccncc1)c1cccnc1 69776093 WEPIWAORQVFVIQ-UHFFFAOYSA-N 306.325 2.703 0 40 DFAB CC1(C)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O 39583866 NWOBTMCLDSAYRR-UHFFFAOYSA-N 317.172 2.703 0 40 DFAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](n2ccnc2)C1 69816911 OMAHUHBYMXPVBL-GFCCVEGCSA-N 324.306 2.774 0 40 DFAB CCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)ccc2o1 65553096 QEQJBJKWSUXMDQ-LLVKDONJSA-N 315.373 2.586 0 40 DFAB Cc1cc2oc(=O)cc(COC(=O)c3cnccn3)c2cc1C 6486311 FOEFDGWCMSKFSY-UHFFFAOYSA-N 310.309 2.557 0 40 DFAB CC(C)Sc1ccccc1C(=O)N[C@@H]1CCCCNC1=O 65607420 ZPFNBRTXQDQALJ-CYBMUJFWSA-N 306.431 2.586 0 40 DFAB CN(C)C(=O)COc1ncnc2scc(-c3ccccc3)c12 6566318 IEVWQDDLMVNHCP-UHFFFAOYSA-N 313.382 2.825 0 40 DFAB COc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1OC 6506240 DMRXDGPQUMHNQF-UHFFFAOYSA-N 311.341 2.510 0 40 DFAB C[C@H]1CCCN(C(=O)COC[C@@H]2CCOC2)c2ccccc21 96013981 CQUWVWDYSYBOCF-LSDHHAIUSA-N 303.402 2.970 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1nccn1C(F)F 14852231 KTHKVHCEJAIFPJ-DUXPYHPUSA-N 322.267 2.764 0 40 DFAB COc1ccc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)c(C)c1 5957919 UHCKXBGDAUQWBV-GHXNOFRVSA-N 305.359 2.648 0 40 DFAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 80343979 QHEGPDDMUSOBOI-LBPRGKRZSA-N 308.403 2.935 0 40 DFAB Cc1ccc(F)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7970706 SZQUYEBIYNWUTN-IUODEOHRSA-N 308.378 2.527 0 40 DFAB Cc1ccc(CN(C)CC(=O)NC(=O)Nc2ccccc2F)o1 7975400 QJAPYXQSOMAHFU-UHFFFAOYSA-N 319.336 2.507 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C(C)=O)cn2C)c1 8328642 ZORWBCSLMRSETE-UHFFFAOYSA-N 314.341 2.575 0 40 DFAB Cc1ccc(NCC(=O)Nc2ccc3c(c2)OCO3)cc1F 9450538 HYFCYACYAWADCU-UHFFFAOYSA-N 302.305 2.913 0 40 DFAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=S)N1 23987975 YDTUTZHDFKVFMF-CQSZACIVSA-N 304.415 2.823 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1cccnc1 97145636 IBEMWRPXBFKCSN-MRXNPFEDSA-N 310.397 2.869 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@@]1(C)CCCO1 97147388 XUAVITPDEDDSGT-SJKOYZFVSA-N 322.453 2.876 0 40 DFAB Cn1c(Cn2ncc(Br)c2C2CC2)nnc1C1CC1 97114892 STDZTQXWVJNALO-UHFFFAOYSA-N 322.210 2.577 0 40 DFAB c1cnnc(N2CCC[C@@H]2CNCc2cc3ccccc3o2)c1 71877245 XVEWFVSLXDXBJU-OAHLLOKOSA-N 308.385 2.981 0 40 DFAB c1ccc(-c2cnc(CN3CCCC[C@H]3Cn3cncn3)o2)cc1 71876140 HLBPJBIGYOUVSS-INIZCTEOSA-N 323.400 2.988 0 40 DFAB COc1ccc(Cc2noc(-c3cscn3)n2)cc1OC 83960367 SJNFCUWBGOLWAU-UHFFFAOYSA-N 303.343 2.801 0 40 DFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccncc1 84013771 HBCIQNWEUDKBFO-UHFFFAOYSA-N 309.329 2.563 0 40 DFAB CN(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 97018596 NCDRJWZUQHSYII-GHMZBOCLSA-N 315.291 2.742 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cccnn1 97083048 FBJJXYQMGYYPRZ-ZDUSSCGKSA-N 314.393 2.966 0 40 DFAB CC[C@](C)(CNC(=O)C(F)(F)c1ccc(OC)cc1)[C@H](C)O 95440050 DFDONNKIVZIGAY-XHDPSFHLSA-N 315.360 2.700 0 40 DFAB O=C(c1cccnc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408608053 MKBFLNQPHDGZNS-IBGZPJMESA-N 321.424 2.745 0 40 DFAB Cc1[nH]c2c(C(=O)N3CC[S@@](=O)C(C)(C)C3)cccc2c1C 88292803 LUDCAHKBWIFKDV-QFIPXVFZSA-N 318.442 2.768 0 40 DFAB NC(=O)[C@@H]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 95982244 GSHJYUKCGQRALL-SECBINFHSA-N 306.715 2.666 0 40 DFAB Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1=O 95954764 CLSSTLKEEOOKSX-SJORKVTESA-N 310.397 2.842 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC(=O)Nc2cc(Br)ccc21 89238197 NOLFAWSJGPVJQO-SECBINFHSA-N 323.190 2.780 0 40 DFAB Cc1cccc(CNC(=O)CSc2ccc(Cl)nn2)c1 89669507 NDMVITFSDWVQJR-UHFFFAOYSA-N 307.806 2.847 0 40 DFAB C[C@H](NC(=O)c1csnn1)c1ccc(OCC2CC2)c(F)c1 89904720 XBTYEPGUQULZBF-VIFPVBQESA-N 321.377 2.957 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cn(C)c2ccccc2c1=O 408713417 XVYHAPOMGIRRBC-UHFFFAOYSA-N 306.365 2.811 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccncc1 43167333 VCBWRWXSCRNSBK-CQSZACIVSA-N 300.362 2.633 0 40 DFAB Cc1csc(C(C)(C)NC(=O)c2cnn3c2C[C@H](C)CC3)n1 522060690 MVWBPDCXJRUGQW-SNVBAGLBSA-N 318.446 2.895 0 40 DFAB CN1CC[C@H](Cc2cccc(NCCC3(O)CCCC3)n2)C1 72366204 PEHFUPRJUDORII-OAHLLOKOSA-N 303.450 2.683 0 40 DFAB CCOc1cc(NCC(=O)Nc2c(C)cccc2C)ncn1 121221291 YYXKDAKLCJBLMM-UHFFFAOYSA-N 300.362 2.543 0 40 DFAB CC(=O)NCCCOC(=O)c1ccc(Oc2cccnc2)cc1 78442861 ILSDLGUOSWKVNE-UHFFFAOYSA-N 314.341 2.557 0 40 DFAB CN(C)c1ccccc1NC(=O)NC[C@@](C)(O)c1ccccc1 79350416 KVQOTAYCSYCROF-GOSISDBHSA-N 313.401 2.782 0 40 DFAB CNC(=O)c1ccc(NC(=O)[C@H](C)SC(F)(F)F)cc1 30719945 PKMYZNOQMTVZBZ-ZETCQYMHSA-N 306.309 2.626 0 40 DFAB CCOc1cc(C)c([C@@H]2CC(=O)N=C3NC=NN32)cc1C(C)C 38191146 ATBQLVGDARUFCA-AWEZNQCLSA-N 314.389 2.693 0 40 DFAB O=C(CCn1cnc2ccccc21)N[C@H]1CCc2c(O)cccc21 79315345 PTTYRZXGVROZRJ-HNNXBMFYSA-N 321.380 2.936 0 40 DFAB COc1ccc(C2(NC(=O)Cn3ccnc3)CCCCC2)cc1 72346553 UHRVLCBDQDXCSR-UHFFFAOYSA-N 313.401 2.868 0 40 DFAB CCCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 70980143 QZYAQYKVNSKLBL-ZDUSSCGKSA-N 301.839 2.739 0 40 DFAB CS(=O)(=O)c1ccc(-c2cc([C@@H]3CCCN3)ccn2)cc1 72365385 BIQQDULVUAZWGX-HNNXBMFYSA-N 302.399 2.577 0 40 DFAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1cccs1 72242559 DCZXRODCAUFQCA-HNNXBMFYSA-N 301.415 2.973 0 40 DFAB O=C(Nc1cccc2cccnc12)c1nnc2ccccc2n1 46088195 AMGWCKGGYIJZBT-UHFFFAOYSA-N 301.309 2.825 0 40 DFAB O=C(c1ccsc1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 329014924 JQNKJIVNOKXDNR-ZDUSSCGKSA-N 302.403 2.522 0 40 DFAB COc1cccc(C[C@H](Oc2cccc(OC)c2)C(=O)O)c1 225099934 JFVFFHNOGHEXGI-INIZCTEOSA-N 302.326 2.779 0 40 DFAB COc1ccc(CCNc2nc(N)c3ccccc3n2)cc1OC 41146474 KJTSWPGYBAOGGQ-UHFFFAOYSA-N 324.384 2.884 0 40 DFAB biogenic O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Cn2cccc2)cc1 195555608 XUKZVRYIKVWTFV-MRXNPFEDSA-N 312.369 2.616 0 40 DFAB C/C=C(/C)C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 89968261 YBSPCSZAENUYBX-MBNGJLNHSA-N 305.374 2.950 0 40 DFAB O=C(NCc1cnn2c1CCCC2)c1ccc(-n2cccc2)cc1 225608050 SNHDLACGJODJKN-UHFFFAOYSA-N 320.396 2.940 0 40 DFAB C[C@@H](Sc1ncnc2ccsc12)c1nnnn1C1CC1 225622961 KEDAVPGORVBMDP-SSDOTTSWSA-N 304.404 2.866 0 40 DFAB O[C@@H](CNc1ncccc1F)c1cc(Cl)c2c(c1)OCCO2 84487397 AXDSCXFHDLLAKZ-LBPRGKRZSA-N 324.739 2.791 0 40 DFAB CCn1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccc(F)cc2)n1 226750332 XQTHJFAWZGNDTH-LBPRGKRZSA-N 319.336 2.629 0 40 DFAB COc1cc(SC)ccc1NC(=O)Cc1c(C)nn(C)c1C 192706972 RVRFDNWSZRXGNP-UHFFFAOYSA-N 319.430 2.949 0 40 DFAB COCCNC(=O)c1cc(N)ccc1N[C@@H](C)c1ccccc1 225458975 XRPWZSXCRSECQI-ZDUSSCGKSA-N 313.401 2.818 0 40 DFAB Cc1ccc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1Cl 96412029 CVUSFVYVCJATAI-UHFFFAOYSA-N 317.776 2.998 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)N2CCS[C@H](C(C)C)C2)c1 96432278 QSLUBJZYXQUGEQ-HNNXBMFYSA-N 324.421 2.998 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccsc2)C1 96454707 ZXAZDSNACNTXHF-GFCCVEGCSA-N 310.419 2.830 0 40 DFAB O=C(C1=COCCC1)N1CCO[C@H](CCc2ccccc2)C1 97374342 JRZRXLJWVIZOBQ-QGZVFWFLSA-N 301.386 2.541 0 40 DFAB CCOCc1ccc(CC(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1 96045969 KGRATWNZACYJDH-WBAXXEDZSA-N 317.429 2.792 0 40 DFAB O=C(c1cccc(NCc2ccsc2)c1)N1CCC[C@H](O)C1 96482838 NGDXJEOFRIFFSP-INIZCTEOSA-N 316.426 2.957 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)o1 97231404 RTOMQDNCOAPQOX-KEDPEKRHSA-N 321.279 2.822 0 40 DFAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)NCc1ccccc1F 97377284 IVUDBPFXOQRCCW-GFCCVEGCSA-N 318.396 2.894 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)[C@H]1CCOc2ccccc21 96469178 WVNDZHLONALYPW-OCCSQVGLSA-N 313.353 2.923 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 95436403 MLKLBSWOHSOFPD-MRRJBJDNSA-N 301.386 2.932 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC[C@H](n2cccn2)C1 96503055 BTEFMIKUYIDUJD-AWEZNQCLSA-N 314.389 2.685 0 40 DFAB OC[C@@H]1CCCN1Cc1ccccc1CNC1CCSCC1 96500765 GQHYJMYCKNFDHZ-SFHVURJKSA-N 320.502 2.629 0 40 DFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1[nH]nc(C2CC2)c1Cl 96461820 JUXAIIIRAZATAD-UHFFFAOYSA-N 318.720 2.627 0 40 DFAB CCn1cc(CN(C)Cc2cn(C)nc2-c2ccccc2)cn1 96492860 FVOPYZANWKFRFK-UHFFFAOYSA-N 309.417 2.936 0 40 DFAB CCO[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1 253380534 AXJOMWMKYXNTMG-INIZCTEOSA-N 303.406 2.521 0 40 DFAB C[C@@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)C1CCC1 252539169 NUXLAFCCZFRSDB-RHSMWYFYSA-N 315.461 2.984 0 40 DFAB Cc1cc(-c2nc(C)c(CCO)s2)nc([C@H]2CCCCN2)n1 257261093 LFRQZZZXOSWFSB-GFCCVEGCSA-N 318.446 2.566 0 40 DFAB CC(C)n1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C 257282446 OTUQWVMXRGRGLI-RDJZCZTQSA-N 304.438 2.553 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c1 252477329 MEQYLQFEIRAROV-HBOVIKQASA-N 322.474 2.915 0 40 DFAB COc1cccc(CCNCc2cnn(CC(F)F)c2C)c1 256051869 KUWMSZWHHCQANA-UHFFFAOYSA-N 309.360 2.798 0 40 DFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Cl)c1F 16100708 CFXDIBNYEFYTSS-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB Cc1ccc(-n2nnc(C(=O)O)c2-c2cccnc2)cc1Cl 62267973 UORYUIFVQKAOBR-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB in-vitro O=C(Nc1cc(Cl)ccc1Cl)NC1(CO)CCOCC1 69389467 CDVCUIIMZBRADA-UHFFFAOYSA-N 319.188 2.656 0 40 DFAB C[C@@H]1OCC[C@H]1C(=O)N1CCc2cc(Br)ccc2C1 225387873 MRCVCNJJYOBMPD-IINYFYTJSA-N 324.218 2.759 0 40 DFAB CCOP(=O)(CS(=O)(=O)Oc1ccccc1)OCC 201579363 FRRLMIINXFGKMV-UHFFFAOYSA-N 308.292 2.619 0 40 DFAB COC(=O)N1[C@@H]2C=C[C@@H](C2)N1C(=O)Nc1ccc(Cl)cc1 5511012 UYRRFYWYXVLLMV-NWDGAFQWSA-N 307.737 2.868 0 40 DFAB Cc1nc(S[C@H](C)C(=O)O)nc(O)c1Oc1ccccc1 5687121 JXCOMRPDJHNVQU-SECBINFHSA-N 306.343 2.848 0 40 DFAB O=C(O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 1595103358 XLKMQXDJYQLUMY-UHFFFAOYSA-N 312.321 2.944 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccc(C)cc2)cc2cccnc21 5304007 IZYWMRYWBSJRFY-UHFFFAOYSA-N 307.353 2.977 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1C 30338927 BFFHZAADNCVDGN-GFCCVEGCSA-N 309.387 2.506 0 40 DFAB C[C@@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 40103620 XSYQKUJBGNRQKC-ZDUSSCGKSA-N 322.372 2.588 0 40 DFAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccncc1)C(C)C 40462752 OXFQUKQSXUSJLN-MRXNPFEDSA-N 311.385 2.783 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCN(Cc2ccco2)CC1 40477348 HICXRGWVTWFSPW-UHFFFAOYSA-N 317.389 2.657 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)NC1CCCCCC1 40526990 VNWINKWQOZDVIX-UHFFFAOYSA-N 303.406 2.819 0 40 DFAB c1ccc([C@@H](CCn2ccnc2)Nc2ncnc3[nH]cnc23)cc1 32577755 COCCQKRJEUDSPP-CQSZACIVSA-N 319.372 2.793 0 40 DFAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)c1 382141 YBNZLUGFUKPBNV-MHWRWJLKSA-N 322.389 2.774 0 40 DFAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCCc2ccccc21 21351424 HQXLNGSDTBJMBX-HNNXBMFYSA-N 312.413 2.757 0 40 DFAB O=Cc1cn(-c2ccccc2)nc1C1=C[C@@H]2C=CC=C[C@H]2OC1=O 804858 NDHJKZQRXWLWKI-SUMWQHHRSA-N 318.332 2.736 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCc1nncn1C(C)C 76996198 VBNKOIPHNBNMIE-HOTGVXAUSA-N 312.417 2.630 0 40 DFAB C[C@H](S[C@@H](C)[C@H](C)O)C(=O)NC12CC3CC(CC(C3)C1)C2 79073526 MYKFTOCLRYYDBM-BTWDJIDXSA-N 311.491 2.962 0 40 DFAB Cc1cccc(S(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 79013855 WESSQOYBJIDQTC-ZDUSSCGKSA-N 321.442 2.558 0 40 DFAB CCOc1ccccc1-n1nnnc1S[C@H]1CCCCC1=O 32940015 RPYIYWVCFKCBJC-AWEZNQCLSA-N 318.402 2.665 0 40 DFAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1 32929748 OXRCLEFDJVZWAW-AWEZNQCLSA-N 317.410 2.653 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1 3386312 BYHIYFUDHSFYSV-UHFFFAOYSA-N 319.263 2.573 0 40 DFAB CCOC(=O)c1c[nH]c2c(cnn2-c2ccc(Cl)cc2)c1=O 3852592 YIOCQFPPPBPETN-UHFFFAOYSA-N 317.732 2.544 0 40 DFAB CCC1(CC)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 4308243 CUFIUMZYRAPXHI-UHFFFAOYSA-N 318.373 2.508 0 40 DFAB CCCS(=O)(=O)NCCc1csc(-c2cccc(C)c2)n1 4570716 UKBGOEWWKARCSP-UHFFFAOYSA-N 324.471 2.990 0 40 DFAB CNc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 4968481 GCDSSQJUUAPTEC-SECBINFHSA-N 323.443 2.562 0 40 DFAB O[C@@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCc2ccccc2C1 101244456 LBKQAOZQTPAMGS-WSTLGDPDSA-N 315.457 2.858 0 40 DFAB Cc1ccc(CCNC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1 57355709 HGNKNVJAYSQZTR-MRXNPFEDSA-N 315.413 2.920 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccs2)C1 53974429 ZNZXCOYYOJPILL-NEPJUHHUSA-N 310.419 2.794 0 40 DFAB O=C1NCCN(C(=O)c2ccsc2)[C@H]1c1ccccc1Cl 96010175 QOVNSHRLSXLOGV-ZDUSSCGKSA-N 320.801 2.715 0 40 DFAB COc1ccnc(NCc2cccc(NC(=O)C(C)C)c2)n1 24211664 KIKVCNKWIPYECG-UHFFFAOYSA-N 300.362 2.692 0 40 DFAB COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCCN2)cc1 34370679 DIHSOOPDCJLLHA-SFHVURJKSA-N 313.397 2.692 0 40 DFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3186707 BXTRTBOJIIUKFA-UHFFFAOYSA-N 317.794 2.603 0 40 DFAB Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccncc3)cc12 43482853 LIWTTWLCTUZWFB-HNNXBMFYSA-N 308.341 2.904 0 40 DFAB Cc1cccc2c(=O)[nH]c(CN3CCC[C@H]3c3cccn3C)nc12 57364709 QKRSOECPRQHKIF-INIZCTEOSA-N 322.412 2.907 0 40 DFAB C[C@@H]1CCCCN1c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 57328137 KZEWPTKVJVXDSG-CHWSQXEVSA-N 302.374 2.503 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O 3293727 PSGFNDGUXJMTRU-UHFFFAOYSA-N 313.744 2.839 0 40 DFAB COc1ccccc1C(=O)NCc1ccc(Cn2cccn2)cc1 12625975 GTMAZYAPVXOPET-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1cccc(-c2nc(CN3CCC[C@@H](O)C3)cs2)c1 44867480 TWTVCGLGQYSMMM-CQSZACIVSA-N 304.415 2.775 0 40 DFAB C[C@@H](NC(=O)NCc1ccco1)c1ccc2c(c1)CCC(=O)N2 44948848 PAPAREVDAJWQFD-LLVKDONJSA-N 313.357 2.725 0 40 DFAB COc1ccc(-c2n[nH]c(NC(=O)c3ccccc3)n2)c(OC)c1 58377952 JHZCOBAMPLBBOB-UHFFFAOYSA-N 324.340 2.741 0 40 DFAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc[n+]1[O-] 58434209 CXXWPFUNCLKFJE-UHFFFAOYSA-N 306.325 2.711 0 40 DFAB CC(C)c1ccc(S(=O)(=O)N[C@H]2CCN(C(C)C)C2)cc1 58405618 IWVJNXAFOYAESU-HNNXBMFYSA-N 310.463 2.571 0 40 DFAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCSCC1 58431031 LXINYBMSCOJAPW-UHFFFAOYSA-N 309.456 2.742 0 40 DFAB Cc1nn(CC(=O)NC2CCCCC2)c(C)c1Br 28230547 PODXGWIOZXSEGA-UHFFFAOYSA-N 314.227 2.711 0 40 DFAB COc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2OC)cc1 20137290 IIOMPTPFLZJWQS-UHFFFAOYSA-N 315.325 2.583 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 36839278 CSDJXGVAPZLFQH-DOMZBBRYSA-N 314.385 2.649 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)no1 29488968 FFSIVHZOFQSDCM-UHFFFAOYSA-N 316.235 2.899 0 40 DFAB CC(=O)NCC1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 48352769 SIJGANHZFBTQDG-JKSUJKDBSA-N 306.450 2.600 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 69569560 JJEXBBLHQYTDDF-LBPRGKRZSA-N 321.327 2.578 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccccc3C=O)CC2=O)c1 408668880 RFOHVXTYNMCBFL-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB COC(=O)c1ccc(CN(C)Cn2ncsc2=S)cc1 13019119 KPLRMWHVCYSQMD-UHFFFAOYSA-N 309.416 2.550 0 40 DFAB Oc1ccc2cc1-c1cc(ccc1O)CC[C@@H](O)C[C@H](O)CC2 13311568 YWQBDYGHWGZJOM-HUUCEWRRSA-N 314.381 2.756 0 40 DFAB biogenic CO[C@@H](C(=O)N1CCC[C@@H](n2ccnc2C)C1)c1ccccc1 69738514 NBWQLXKYKXYALN-IAGOWNOFSA-N 313.401 2.743 0 40 DFAB COc1ccc(F)cc1[C@H](C)NC[C@H]1CNc2cc(C)nn2C1 69847931 BFHJMSMSTGYBNI-STQMWFEESA-N 318.396 2.732 0 40 DFAB Cc1cc(OCC(=O)O[C@@H](C)C(N)=O)c(C(C)C)cc1Cl 6163970 LSGZTJKLPHYDKZ-JTQLQIEISA-N 313.781 2.568 0 40 DFAB CCCC[C@@H](CC)CNS(=O)(=O)c1cccc2nonc12 13938895 UBEVAIPBFVMKSC-LLVKDONJSA-N 311.407 2.718 0 40 DFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc[n+]1[O-] 65521611 LWVKNRYADXHTCY-GFCCVEGCSA-N 307.353 2.561 0 40 DFAB CC(C)Oc1cnc(C(=O)N(CC(F)(F)F)C(C)C)cn1 96009500 UFILXBQJEANJJM-UHFFFAOYSA-N 305.300 2.677 0 40 DFAB FC(F)Oc1ccccc1CNc1nnnn1-c1ccccc1 14330488 VAEQAGJQVMDHNU-UHFFFAOYSA-N 317.299 2.876 0 40 DFAB COc1ccccc1CCNC(=O)c1cc(=O)[nH]c2ccccc12 14603637 VDFPUFLRPUFVRU-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCc1ccc(F)cc1 14848382 BXGWPXLFSMAZST-UHFFFAOYSA-N 323.371 2.913 0 40 DFAB COc1ccc(-n2c(N(C)C)nc3cc(C(=O)O)sc32)cc1 67172715 QJWOMNIIYFXKJM-UHFFFAOYSA-N 317.370 2.860 0 40 DFAB COCCNC[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 7006729 QHFIGKJJVUCOHL-CYBMUJFWSA-N 315.841 2.748 0 40 DFAB CCc1nnc(NC(=O)CCc2ccc(OC)c(OC)c2)s1 7347010 ATPPGCJCZRTHEK-UHFFFAOYSA-N 321.402 2.689 0 40 DFAB CN(C(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 7866294 NMZXKPKEFHDUMO-UHFFFAOYSA-N 316.744 2.911 0 40 DFAB O=C(NCc1ccccn1)N(Cc1ccc(O)cc1)CC1CC1 70040557 HZGIWYHVCJNCOW-UHFFFAOYSA-N 311.385 2.909 0 40 DFAB O=C(c1ccccc1-n1cccn1)N1CCC[C@@H](n2cccn2)C1 69489366 KQDPPFJJAXXCAF-OAHLLOKOSA-N 321.384 2.546 0 40 DFAB CCn1ccnc1CN1CCN([C@H](C)c2cccc(F)c2)CC1 69437940 IKXOHOBWJHVBOR-OAHLLOKOSA-N 316.424 2.921 0 40 DFAB NS(=O)(=O)c1ccc(NC2CCCC2)c(C(F)(F)F)c1 71882453 WZHGRXXVBHXQOC-UHFFFAOYSA-N 308.325 2.707 0 40 DFAB CC1(C)CN(Cn2ncnc2-c2ccccc2Cl)CCO1 71817121 PDTNCYUNSRAZAG-UHFFFAOYSA-N 306.797 2.667 0 40 DFAB Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)c2ccccc2n1 71839983 UAVYZGXBBAOCNF-HNNXBMFYSA-N 309.413 2.854 0 40 DFAB CCCNC(=O)[C@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 72287166 CGOIBLCBMZAXAU-QMMMGPOBSA-N 320.277 2.718 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 72298712 QNXZXJOVXQORKJ-LBPRGKRZSA-N 302.403 2.570 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282771 DBBLGSZLSGJCLR-GFCCVEGCSA-N 302.378 2.849 0 40 DFAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(C)s1 72268699 CLEYTLDQPOJOGE-GJZGRUSLSA-N 307.463 2.817 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1ccccc1N1CCCCC1 72281973 IGTDZCXEBRWJGW-HNNXBMFYSA-N 324.428 2.618 0 40 DFAB COCCNC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 97164088 AZEWPRVIRPQQST-OAHLLOKOSA-N 305.422 2.773 0 40 DFAB CC1CCC(N(C)C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 97109346 PVBOUIPALURLNC-BCLQGDPASA-N 318.417 2.900 0 40 DFAB Cn1cnnc1C[S@](=O)Cc1c(Cl)cccc1Cl 97164037 YYVMIWBIOPBQDE-SFHVURJKSA-N 304.202 2.571 0 40 DFAB CN(C(=O)C[C@@](C)(O)c1ccccc1)c1ccc2c(c1)CCO2 97059872 QYLCFTNWULGIJU-LJQANCHMSA-N 311.381 2.882 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)C2 97236520 MWZDFDKBTYQIHE-FZKQIMNGSA-N 302.418 2.603 0 40 DFAB O=C(OC[C@@H]1CCCCO1)[C@@H](c1ccccc1)n1cccn1 95392670 BSSADHGNPZREPL-JKSUJKDBSA-N 300.358 2.585 0 40 DFAB O=C(NCc1ccncc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 95396234 ZVGBWSZSEHSGHG-SJORKVTESA-N 311.385 2.881 0 40 DFAB C[C@H]1CN(C(=O)CSC2=Nc3ccccc3CS2)CCO1 84715084 MEKHWGYVEZIJAT-NSHDSACASA-N 322.455 2.901 0 40 DFAB O=C(CCn1cccn1)Nc1nc(-c2ccc(O)cc2)cs1 95443365 YKMDJXLVIDEOJP-UHFFFAOYSA-N 314.370 2.741 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(C)c2)CC1 22250714 POIYJUCHSCIHLO-UHFFFAOYSA-N 319.401 2.809 0 40 DFAB O=C(O)CCN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CC1 89813404 GUNWUISQKPCHQG-STQMWFEESA-N 307.777 2.909 0 40 DFAB O=C(C[C@@H]1CC2(CCNCC2)Oc2ccccc21)NC1CCC1 306144407 ZEIHNGPQCZRZCK-CQSZACIVSA-N 314.429 2.734 0 40 DFAB C[C@@H](C1CC1)N1CC(Br)=C(Br)C1=O 217580055 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310.353 2.923 0 40 DFAB Fc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 96053801 BYCRVBWDJKWOGE-IAGOWNOFSA-N 311.404 2.785 0 40 DFAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@H](C)C3)cc2C[C@H]1C 247930725 JQSQXGCRXLSEOA-PJIJBLCYSA-N 316.445 2.749 0 40 DFAB CCn1cc(CN2CCC[C@H]2c2cc(NC)nc(C)n2)c(C)n1 257227607 FQBZEHZOLZMUKZ-INIZCTEOSA-N 314.437 2.689 0 40 DFAB c1c[nH]c(CN2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)n1 257222688 DUJBIUUATXZAMS-HNNXBMFYSA-N 311.385 2.847 0 40 DFAB CNc1nc([C@H]2CCCN(c3ccnc(C)n3)C2)cn2cccc12 257276460 NTVCSMLECKCUNY-AWEZNQCLSA-N 322.416 2.858 0 40 DFAB Cc1nc(CN2CCC[C@@H]2c2cncc(N(C)C)n2)cs1 257260947 LFEFCFNQYQBTGC-CQSZACIVSA-N 303.435 2.645 0 40 DFAB CN(C(=O)c1cccn(Cc2ccccc2F)c1=O)C1CCC1 257270264 MTLGTPKUQHHLRU-UHFFFAOYSA-N 314.360 2.660 0 40 DFAB CCn1nc(C)c(CN2CCC[C@H](c3[nH]ncc3C)C2)c1C 257285491 PHJZCYIJKZXJLQ-HNNXBMFYSA-N 301.438 2.931 0 40 DFAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2Cc2ccccc2)n1 257343602 ZTQYSDTXOGEKSU-LJQANCHMSA-N 324.428 2.656 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1C 260795968 NSVASSMEIAILFL-IHRRRGAJSA-N 309.431 2.779 0 40 DFAB Cc1c(Br)c(=O)n(C2CCCC2)c2nc(N)ncc12 613822601 DYMXUYXLSNTDDK-UHFFFAOYSA-N 323.194 2.560 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C(C)C)C(C)(C)O)c1 277322028 UMOMVKXHWSVFRX-AWEZNQCLSA-N 322.405 2.699 0 40 DFAB Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1 90608549 TYSOVCCANNLAHA-HNNXBMFYSA-N 323.356 2.745 0 40 DFAB CN1CCc2cc([C@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 96362192 KBTXTEHISYXGDB-QPGLYAHGSA-N 322.408 2.542 0 40 DFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)n1ccnc1 56482462 KUFJEQQTMQDGKQ-QWHCGFSZSA-N 314.389 2.611 0 40 DFAB C[C@@H](CN[C@@H](C)c1ccc(Cl)cc1)CN1CCN(C)CC1 95421856 MWWWLYQTMASITP-GJZGRUSLSA-N 309.885 2.874 0 40 DFAB C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)C(C)(F)F 560399884 LOWCPRPYBOABQC-SECBINFHSA-N 311.332 2.761 0 40 DFAB COc1ccc(-c2cc3nccc([C@@H]4CCCNC4)n3n2)cc1 12154344 ZLVPJLUZMCATQB-CQSZACIVSA-N 308.385 2.872 0 40 DFAB CCc1ccc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1 13407113 UXRBQNWQFGCMHL-BQYQJAHWSA-N 316.382 2.985 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 16682891 URFPJJVYTJOOIB-UHFFFAOYSA-N 311.407 2.703 0 40 DFAB O=C(C[C@@H]1COCCN1Cc1cccnc1)c1cccs1 154440443 KLEBCVRADSDWCP-CQSZACIVSA-N 302.399 2.617 0 40 DFAB COc1ccccc1CC(=O)NC[C@H](c1ccsc1)N(C)C 25329097 KKKWPNILMLSTCK-OAHLLOKOSA-N 318.442 2.718 0 40 DFAB CCCCNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195543 CQNBOUOPEIKFFR-LBPRGKRZSA-N 309.797 2.545 0 40 DFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1 10256057 ARUSUHJPLVUDCC-MENFKHAKSA-N 320.392 2.794 0 40 DFAB O=C1OC2(CCN(C(=O)/C=C/c3ccco3)CC2)c2ccccc21 206768245 IKGPONSLGOHBIH-BQYQJAHWSA-N 323.348 2.981 0 40 DFAB Cc1cccc(Nc2ncc(F)c(N3CCOCC3)n2)c1C 116974 SBOVYRXOEZNTSF-UHFFFAOYSA-N 302.353 2.813 0 40 DFAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc1 192036 OSZQPHVESDBNIW-LFIBNONCSA-N 306.321 2.990 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)c1ccc(-n2cnnn2)cc1 20427048 GCMNCFDNURKEEP-ZDUSSCGKSA-N 301.394 2.607 0 40 DFAB O=c1c(Cl)c(NC[C@H]2CCCO2)cnn1Cc1ccccc1 126671 VTBWGEWWEIJYNQ-CYBMUJFWSA-N 319.792 2.536 0 40 DFAB CN1C(=S)S[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 244154 ZAVWCZXKLDFJTP-SNVBAGLBSA-N 311.432 2.978 0 40 DFAB CC(C)(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 415459 BRKBUBQCHVCSAJ-UHFFFAOYSA-N 309.366 2.883 0 40 DFAB Cc1c(C(=O)OCC(=O)NCC(F)(F)F)oc2ccccc12 2642361 HVAJEWKODXNFGC-UHFFFAOYSA-N 315.247 2.577 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCCN(Cc2cscn2)CC1 69632073 JHBYDEWCVFPRAW-CQSZACIVSA-N 305.447 2.534 0 40 DFAB COc1ccc([C@@]2(C(=O)O)CC(C)=C(C)C[C@H]2C(=O)O)cc1 1728097 PENVFJHOMUNOFK-YOEHRIQHSA-N 304.342 2.849 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(F)cc2)c1 3519911 OQSWPEOLLVFQEC-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB Cc1ccc(C(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 4317083 HSAFJHWQOMBDIU-UHFFFAOYSA-N 314.410 2.932 0 40 DFAB CCOc1ccc2cc(C(=O)N3CCO[C@H]4CCC[C@@H]43)[nH]c2c1 53385975 GZDOKVWCYGRYHK-IRXDYDNUSA-N 314.385 2.960 0 40 DFAB CC(C)Oc1ccc(CSc2nc3[nH]ncc3c(=O)[nH]2)cc1 69772514 PVKCVHZATSELSW-UHFFFAOYSA-N 316.386 2.726 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC2 53698297 FOYWFRFRJHGCLG-JTQLQIEISA-N 320.414 2.820 0 40 DFAB COc1ccc(-c2nc(CN(C)C[C@H]3CCCCO3)no2)cc1 72272967 QAYCOTRVSFNDQQ-OAHLLOKOSA-N 317.389 2.746 0 40 DFAB O=C(O)C1=C[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 12389039 HQYXBTXGQPNIRW-SNVBAGLBSA-N 311.128 2.568 0 40 DFAB O=C(O)CN[C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 100193714 SNTUTLXNFPOXEH-SJORKVTESA-N 302.418 2.636 0 40 DFAB O=C(Nc1ccccn1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 24444892 QRSCPPGVTXAZLF-LLVKDONJSA-N 315.760 2.727 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2cccnc2)c(OC)c1OC 9973446 RUXCXTVVHFQSQK-VQHVLOKHSA-N 314.341 2.759 0 40 DFAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cnc2ccccc2c1 106762294 KTMWYMXCAFWKMR-KCQAQPDRSA-N 323.396 2.726 0 40 DFAB CCOC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1 1441619 RKVJZTAGYSHSBP-OAHLLOKOSA-N 311.341 2.914 0 40 DFAB O=C(CCOc1ccccc1)NCCc1ccc2c(c1)OCO2 24380783 SNPKPILQVLEOSO-UHFFFAOYSA-N 313.353 2.543 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1CC[S@@](=O)[C@H](C)[C@H]1C 106931100 ICDLKTYSUIOFNY-OQQHHNTDSA-N 318.442 2.991 0 40 DFAB CCn1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cn1 28230665 BIPKZANDCIRDSX-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)CCCc1ccccc1 56061944 QFNQMRBKQLUIID-UHFFFAOYSA-N 308.403 2.545 0 40 DFAB Fc1ccc(N2CCN(Cc3nnsc3Cl)CC2)cc1 35163457 XFTXCSSYEUSNDN-UHFFFAOYSA-N 312.801 2.653 0 40 DFAB CCOCCO[C@@H](C)C(=O)NCCc1ccc(Cl)s1 57493788 ITIUOZJYCMPVNS-JTQLQIEISA-N 305.827 2.502 0 40 DFAB Cc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1 47934489 MSVYSAMFHQIBKZ-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)c1ccccc1 27541776 XXHDLGGNNPUESE-HNAYVOBHSA-N 322.412 2.994 0 40 DFAB O=C(COC(=O)COc1ccccc1F)Nc1ccc(F)cc1 3240252 NIKKHPZPGHEAOM-UHFFFAOYSA-N 321.279 2.526 0 40 DFAB CCCNC(=O)[C@H](C)Sc1ccc(Br)cn1 58159485 WGUYNOVVRTYASN-QMMMGPOBSA-N 303.225 2.851 0 40 DFAB CC(C)COC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 58217014 OAWDAEIOHNCNOL-UHFFFAOYSA-N 301.390 2.840 0 40 DFAB CC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 12622884 TUOASFOVWFXCAB-UHFFFAOYSA-N 317.433 2.639 0 40 DFAB CC(C)Oc1ccc([C@@H](C)NC(=O)CN2CCSC2=O)cc1 44908947 WNMNUMYLSCMACK-GFCCVEGCSA-N 322.430 2.820 0 40 DFAB CC(C)CC[C@]1(C)NC(=O)N(Cc2noc(C(C)(C)C)n2)C1=O 44944234 ZITGQHSCLDJWMP-INIZCTEOSA-N 322.409 2.614 0 40 DFAB CC(C)N1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 20549621 UMTDZDMCBRMVOP-ZDUSSCGKSA-N 308.397 2.582 0 40 DFAB Cc1csc(NC(=O)CCNC(=O)c2ccccc2C)n1 10555300 RFQRGCFGUFYDDZ-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1nc(CNC(=O)NC[C@H](C)N(C)c2ccccc2)cs1 45343682 VNAYCRHAEMFJFY-LBPRGKRZSA-N 318.446 2.776 0 40 DFAB Cn1cc(NC(=O)CCc2ccccc2OC(F)(F)F)cn1 66612209 BZWMBEIOVBRJCK-UHFFFAOYSA-N 313.279 2.890 0 40 DFAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)NC1CC1 12783064 WAOMUCGFTWWRON-CYBMUJFWSA-N 324.380 2.881 0 40 DFAB COCc1ccccc1NC(=O)NCc1cn2ccccc2n1 46033025 WAPDQNRYMCUUHX-UHFFFAOYSA-N 310.357 2.802 0 40 DFAB O=C(COCCOc1ccccc1)N[C@@H]1CCc2ccccc21 48308592 SAMPFGZDKIWOGG-GOSISDBHSA-N 311.381 2.886 0 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2.879 0 40 DFAB COc1ccccc1OCCNC(=O)c1cc(F)cc(F)c1 14869008 ZQGPRXRWXYFEJL-UHFFFAOYSA-N 307.296 2.782 0 40 DFAB O=C(c1cnn(C(=O)c2ccccc2F)c1)c1ccccc1O 6996975 OIRMTNOEHWHQAD-UHFFFAOYSA-N 310.284 2.647 0 40 DFAB O=C(OCc1nc(-c2cccs2)no1)c1ccc(O)cc1 7164934 HZJQUQFHRSTDOW-UHFFFAOYSA-N 302.311 2.861 0 40 DFAB Cc1cc([C@H](C)NC(=O)N[C@H](C)C[S@](C)=O)cc(C)c1F 96009991 WIDYBRYJXFSXPW-SMDDFHAHSA-N 314.426 2.570 0 40 DFAB O=S(=O)(Cc1cccc(F)c1)NC1(c2ccccc2)CC1 68910498 BQOAKJYCSAXWCO-UHFFFAOYSA-N 305.374 2.934 0 40 DFAB C[C@@H]1CCN(C(=O)Cn2ccsc2=N)c2ccccc2S1 8315140 RBTGUDLWJFTEPL-LLVKDONJSA-N 319.455 2.947 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)o1 69419353 NXWDHVYWXCVPBP-XVJNWHFHSA-N 318.417 2.612 0 40 DFAB O=C(c1cc[nH]c1)N1CCc2c(ncn2CCc2ccccc2)C1 96493002 JBICVVSLCKUBKK-UHFFFAOYSA-N 320.396 2.652 0 40 DFAB Cc1cnc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cn1 69559975 MHMLRPXQBORALW-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)no1 72291359 SOKFLTBYDBIYRD-CMPLNLGQSA-N 305.403 2.949 0 40 DFAB Cc1noc(C)c1Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 71817247 JLBRAYRTCBTLDB-UHFFFAOYSA-N 313.279 2.793 0 40 DFAB Cc1noc(C)c1CC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 71827253 FBKGSGGUOQIUCG-PXAZEXFGSA-N 314.385 2.823 0 40 DFAB Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NCc2ccccn2)C1 71915698 MYNHXDBQAPUQQO-IRXDYDNUSA-N 323.440 2.884 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)CO[C@H]1CCCC[C@@H]1C 71903403 IMHXHAPNCZEKHA-BBRMVZONSA-N 318.417 2.509 0 40 DFAB CCc1cnc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299899 RKFUOGGJFLMFAQ-LBPRGKRZSA-N 302.378 2.877 0 40 DFAB COCc1nc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 84111361 SKQBFQRFBUYDQX-LBPRGKRZSA-N 306.435 2.701 0 40 DFAB C[C@@H]1CCC[C@@H]1N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 97038245 YMCSXQTXCPQEKR-VWYCJHECSA-N 304.398 2.720 0 40 DFAB Cc1cc(C)n(-c2cccc(C(=O)NCc3cccnc3)c2)n1 72403678 QHUXXMGDLSWHPG-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB C[C@@H]1CCc2ccccc2N1CCC(=O)NC1CCC(O)CC1 72794278 FSYWWQYSTVEJTJ-ODIFPOPNSA-N 316.445 2.638 0 40 DFAB C[C@@H]1CN(c2ncnc3sccc23)CCN1c1nccs1 95351518 WGPJFCCPTLMREF-SNVBAGLBSA-N 317.443 2.863 0 40 DFAB CCC(=O)[C@H](C)OC(=O)c1cc2sc(N(C)C)nc2s1 84718231 IGXIPXLMXNKCNB-ZETCQYMHSA-N 312.416 2.948 0 40 DFAB COc1cccc(Cl)c1C(=O)NC[C@@H](O)c1ccccc1F 95417020 DEXKCSUMRCSWGB-CYBMUJFWSA-N 323.751 2.951 0 40 DFAB C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1nc2c(s1)CCCC2 95405573 XHICXMLKHQNNGD-NHYWBVRUSA-N 316.426 2.933 0 40 DFAB COc1cccc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1 95430020 NMFWOJNOXHRNSX-BZNIZROVSA-N 303.333 2.686 0 40 DFAB CC(C)n1ccc(C(=O)N(C)c2cccnc2N2CCCC2)n1 95963636 FGAGBOAJWKPZKK-UHFFFAOYSA-N 313.405 2.736 0 40 DFAB CC(C)OCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 75142620 DKFKDHZYHUJITK-WMZOPIPTSA-N 318.461 2.780 0 40 DFAB O=C(/C=C/c1nc2ccccc2s1)Nc1ccnc2ccnn12 75134510 GUCOTIPRAIROEC-AATRIKPKSA-N 321.365 2.991 0 40 DFAB CC(C)c1cc(C(=O)N2CCN(C)C[C@H]2C)nn1C(C)(C)C 89938383 LHVVSPZFEXCUQS-CYBMUJFWSA-N 306.454 2.538 0 40 DFAB CC[C@H]1CCCCCN1C(=O)Cc1ccc(-n2cnnc2)cc1 517025091 IOUSRYRASWSDNB-INIZCTEOSA-N 312.417 2.991 0 40 DFAB Cc1cccnc1NC(=O)COC(=O)c1ccccc1Cl 409196117 SZWSFRZBARRMBN-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB C[C@H](NC(=O)c1ccoc1)c1nc(-c2cccc(F)c2)no1 78774883 LDLXBKPZAQEYSO-VIFPVBQESA-N 301.277 2.960 0 40 DFAB Cc1nn(C)cc1C(=O)NCCCSc1ccc(F)cc1 79091744 UYSYNUYHQNWIPF-UHFFFAOYSA-N 307.394 2.780 0 40 DFAB C[C@H](OCC1CC1)C(=O)Nc1cnccc1N1CCCCC1 79041121 JYAMWCUTMFUQDQ-ZDUSSCGKSA-N 303.406 2.826 0 40 DFAB CC(C)C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1)C(=O)N(C)C 40135578 MMHRUELWIVJNGZ-IUODEOHRSA-N 323.412 2.689 0 40 DFAB CCN(C)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 81612839 SVESSXOBJYIHEG-CJNGLKHVSA-N 305.422 2.815 0 40 DFAB Cc1ccsc1CNC(=O)CN[C@@H]1CC(C)(C)OC1(C)C 132657842 GIZYBYTWOVQJNR-CYBMUJFWSA-N 310.463 2.608 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2)c(C)c1 47461936 BPCOAGNYCCRHSJ-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB Cc1ccc(Nc2nc(C(=O)NC[C@@H](C)O)cs2)cc1C 199408711 MBWMYAMMVJWEMC-LLVKDONJSA-N 305.403 2.614 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 225184844 IOAZWOWZMNSDEZ-MRXNPFEDSA-N 324.424 2.783 0 40 DFAB COc1ccccc1CN1CCC2(CC1)CCN(C(C)=O)C2 96268661 TUXNSXNLAHSDDU-UHFFFAOYSA-N 302.418 2.530 0 40 DFAB O=C(c1cccc(NCc2ccsc2)c1)N1CCC[C@@H](O)C1 96482839 NGDXJEOFRIFFSP-MRXNPFEDSA-N 316.426 2.957 0 40 DFAB CCn1cc(C(=O)NC[C@](C)(O)c2ccsc2)c(C(C)C)n1 96450386 MSWPKVBMFKJTIT-INIZCTEOSA-N 321.446 2.725 0 40 DFAB O=S(=O)(CCCF)N(Cc1ccccc1)c1ccncc1 96475335 ISBUDMCEGOSWBH-UHFFFAOYSA-N 308.378 2.778 0 40 DFAB Cc1cc(NC(=O)CSCc2cccc3c2OCCO3)no1 96404259 IJKROMPUVTWNOP-UHFFFAOYSA-N 320.370 2.626 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 96105823 JTEAALLDUDCWSD-MRXNPFEDSA-N 307.434 2.921 0 40 DFAB CC(=O)NCC(=O)Nc1ccccc1NCC1CCCCC1 97370219 RWEQOYZFPSPLFN-UHFFFAOYSA-N 303.406 2.753 0 40 DFAB COc1ccc2c(c1)N(Cc1cnc3ncccn13)C[C@@H](C)O2 97101634 VZFCYKZXEKDCBE-GFCCVEGCSA-N 310.357 2.525 0 40 DFAB Cc1ccnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 583651348 KJXFTVUCNNXKOJ-UHFFFAOYSA-N 319.430 2.561 0 40 DFAB Cc1nc(CNC(=O)NC2Cc3ccccc3C2)c(C)s1 97377423 GFONMFJXNAJORX-UHFFFAOYSA-N 301.415 2.727 0 40 DFAB CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 96462007 RBYQFARPZGZMPS-KBPBESRZSA-N 322.449 2.962 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccccc1 97086239 PWXZEPHXSBSMDG-ZBFHGGJFSA-N 318.417 2.932 0 40 DFAB CN(C(=O)CC1=CCCCC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 96422457 GRJOZPCZBLQMNS-GJZGRUSLSA-N 313.463 2.691 0 40 DFAB CC1(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CCCC1 96502162 GAKZUHYSSMXEIJ-CQSZACIVSA-N 310.438 2.751 0 40 DFAB CC(C)=CC(=O)NC[C@@H](NC(=O)C=C(C)C)c1ccc(C)o1 95443610 UCRALNOUKAGIIA-CQSZACIVSA-N 304.390 2.794 0 40 DFAB CCO[C@H]1CO[C@@]2(CCCN(Cc3cccc(OC)c3)C2)C1 96107225 KMZYDZYQCWBDCR-MSOLQXFVSA-N 305.418 2.855 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2ccccc2)C1 96435881 NTAGXBDHPAQARO-LSDHHAIUSA-N 318.417 2.996 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC=CCC2)c1 96408229 YKTSVTKMQBECJR-NYHFZMIOSA-N 321.442 2.877 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96432064 GMAGYYYNBSJTRC-AWEZNQCLSA-N 323.400 2.888 0 40 DFAB CCCN(C)C[C@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 245289928 GCDDKYCNDDMDPD-WBVHZDCISA-N 316.445 2.743 0 40 DFAB CO[C@H](C[C@@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1)C(=O)O 248143604 CVPIBKKDDCLYAR-ZYHUDNBSSA-N 314.765 2.988 0 40 DFAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2scnc2C)C1 257253112 JXPLTQYRMCHUHD-CYBMUJFWSA-N 316.430 2.710 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1 257285317 PGPCAZAHOGMYRL-ZDUSSCGKSA-N 311.451 2.560 0 40 DFAB FC(F)Oc1cccc([C@H]2CN(C[C@H]3CCOC3)CCO2)c1 253369572 FCWTURLUCOCMHD-IUODEOHRSA-N 313.344 2.698 0 40 DFAB COc1ccc([C@H]2CNCCN2Cc2csc(C)n2)cc1 257304049 SJWVDZWLCQHAAM-MRXNPFEDSA-N 303.431 2.607 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 252505867 OGDIXAHVHSKMKS-KNCCTNLNSA-N 308.466 2.558 0 40 DFAB CC(C)c1ncsc1C(=O)N[C@@H]1Cc2ccccc2NC1=O 529945480 NNCNCUSCWVYPFI-GFCCVEGCSA-N 315.398 2.560 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1F 252487362 HVFONXVEGRYUGB-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB COC(=O)c1c(C)nc(-c2ccc(Br)cc2)n1O 575410966 QUQAUMNHZGGSRK-UHFFFAOYSA-N 311.135 2.645 0 40 DFAB CC(C)Cc1ccc([C@H](NC(=O)Cn2cncn2)C2CC2)cc1 69462509 JBXBFOGTCAJNTJ-SFHVURJKSA-N 312.417 2.744 0 40 DFAB CCOCCN1CCN(CCc2c(F)cccc2Cl)CC1 69921060 KVTSYDUNAMCJRG-UHFFFAOYSA-N 314.832 2.676 0 40 DFAB COC(=O)/C(=C\c1cnn(-c2ccccc2)c1)c1ccncc1 96297243 NKAFSXZNQFJHIM-BOPFTXTBSA-N 305.337 2.981 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1 825164477 WOZNUGDFAIDXFJ-UHFFFAOYSA-N 322.474 2.552 0 40 DFAB O=C(O)c1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2)cc1 1554502498 FKFIMLZTPNOGAN-CYBMUJFWSA-N 310.309 2.552 0 40 DFAB CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C1C 5708637 ULYWJHFMFJRYAK-CYBMUJFWSA-N 308.765 2.873 0 40 DFAB CCc1cccc(CC)c1NC(=O)CSc1nccc(=O)[nH]1 5045198 SZTPOYYDJIRVLX-UHFFFAOYSA-N 317.414 2.626 0 40 DFAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 5555564 VWZGQTUVPPIHJC-MRXNPFEDSA-N 317.410 2.811 0 40 DFAB CCc1nn2c(O)cc(Cn3cccn3)nc2c1-c1ccccc1 19521401 YJFXXCXQIIYZHB-UHFFFAOYSA-N 319.368 2.909 0 40 DFAB Cc1cc(C)cc(OC[C@H](C)NC(=O)CC2CCN(C)CC2)c1 19748340 ALYWCYXBPYQMAJ-INIZCTEOSA-N 318.461 2.919 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(OC(F)(F)F)c1)[C@H]1C=C[C@H]2C1 103527205 GYUGWOOKZQZFLG-VDUILEQBSA-N 323.270 2.897 0 40 DFAB O=C(c1cnco1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)C1 607853200 KKTOYTRNDRDDLH-LBPRGKRZSA-N 310.357 2.646 0 40 DFAB Cc1ccc(O[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1 225462858 ZBSGKZKEUYFWBJ-GJZGRUSLSA-N 301.390 2.511 0 40 DFAB OC[C@@]12CCC[C@@H]1CN(c1ncnc(-c3ccccc3)c1F)C2 1888868566 IZDCMBPFAIJMTL-KDOFPFPSSA-N 313.376 2.882 0 40 DFAB CCc1nn2c(=O)cc(CN(C)C3CCC(C)CC3)nc2s1 50274132 ZJVKCRSDYYVERZ-UHFFFAOYSA-N 320.462 2.724 0 40 DFAB NC(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCCC2)c1 40481042 RLEKZHAKBFJVCZ-UHFFFAOYSA-N 318.373 2.539 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccc(N2CCNC2=O)cc1 40479961 VVGKZDQWCQXGOD-UHFFFAOYSA-N 315.398 2.550 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2cnc(C)s2)n1 69601166 GISVAKSRBZNFNX-AWEZNQCLSA-N 305.451 2.715 0 40 DFAB C[C@@H]1CCc2noc(NC(=O)COc3ccc(F)cc3)c2C1 11915736 CXOOQWMNAPGERL-SNVBAGLBSA-N 304.321 2.956 0 40 DFAB CC(C)n1ccc(CNC(=O)N[C@@H](C)CCc2cccn2C)n1 76087968 VXVHFJOCDZJXAH-AWEZNQCLSA-N 317.437 2.623 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCOCC2)C12CCCCC2 76022591 AQAKPEKGAZWOLL-HZPDHXFCSA-N 309.450 2.999 0 40 DFAB Cc1ccccc1OC[C@@H](O)Cn1ccnc1-c1ccncc1 76082650 CIMGBQMJCZPVPC-INIZCTEOSA-N 309.369 2.693 0 40 DFAB O=S1(=O)CCCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 1692596 JXIMBLLTDJPETD-QGZVFWFLSA-N 316.422 2.890 0 40 DFAB COCc1c(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)oc2ccccc12 78894660 JIUWXKGCFBICMP-WFASDCNBSA-N 316.401 2.601 0 40 DFAB CNC(=O)c1ccc(/C=C/c2ncc(/C=C/C(=O)O)s2)cc1 78999023 JLVOMZMWLDPETL-QDJBHUIFSA-N 314.366 2.771 0 40 DFAB Cc1cc(C)c(C(=O)N2CCSC3(CCCCC3)C2)c(=O)[nH]1 79976181 BGSMOIMJOPKBLF-UHFFFAOYSA-N 320.458 2.884 0 40 DFAB CCc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)CC)C(C)C)cc1 4698036 YMVGZDFKYHKHSB-CZUORRHYSA-N 304.434 2.918 0 40 DFAB CC(C)[C@H](OC(=O)c1ccco1)C(=O)NCCc1ccccc1 4900111 RZRYMHNOMCGLTN-INIZCTEOSA-N 315.369 2.820 0 40 DFAB COc1ccc(OC)c(NC(=O)COc2ccccc2F)c1 6396060 AQLGQBBVMHPQKV-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB COc1cc(OC)cc(C(=O)NCCCN2CCCCCC2)c1 10111119 XWLBXMNLDSJAGL-UHFFFAOYSA-N 320.433 2.700 0 40 DFAB Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1 531383 YDSNNWLDMHNDOY-UHFFFAOYSA-N 311.414 2.963 0 40 DFAB O=C(CNC(=O)c1ccco1)OCc1cccc2ccccc12 515405 PKTPNFLYEWQEHD-UHFFFAOYSA-N 309.321 2.906 0 40 DFAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@H]2CCC[C@H]21 53384057 GHUALIWBEFLWQK-NEPJUHHUSA-N 304.371 2.797 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 46891317 MZCAGGULXHBFPR-AVGNSLFASA-N 319.405 2.525 0 40 DFAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 47073392 DYPMGQFVCAHCKC-KGLIPLIRSA-N 313.401 2.838 0 40 DFAB O=C(NCc1csc(Br)c1)Nc1cn[nH]c1 47042394 YCSVZNDJSTZBOS-UHFFFAOYSA-N 301.169 2.555 0 40 DFAB COC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 55208916 CCWMRAMWDJYHCZ-UHFFFAOYSA-N 319.792 2.981 0 40 DFAB CC[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1ccccc1 24978933 JQCZGZOPALXOOP-ZDUSSCGKSA-N 308.403 2.764 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)no1 72274117 ACBJYIYTRJFYNA-CQSZACIVSA-N 314.389 2.502 0 40 DFAB Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)s1 107228802 MQCPIEIVMHQYSZ-GDBMZVCRSA-N 318.446 2.644 0 40 DFAB CC(C)C(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1 25247078 YPQJDRGRQREQQG-UHFFFAOYSA-N 308.809 2.717 0 40 DFAB C[C@@H]1CN([C@H](CNCc2cccn2C)c2cccs2)CCO1 106915071 QGDRBEQAGFTCGL-GDBMZVCRSA-N 319.474 2.638 0 40 DFAB COc1ccc(CCCCNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 108106188 KYTOQXIEMGVYDB-BRWVUGGUSA-N 318.417 2.637 0 40 DFAB CCCCC1CCC(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 44456456 ZNRVIGJKDPVDJG-SLTAFYQDSA-N 315.479 2.534 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccccc1 44599442 TZFWYKSNWPZPDC-UHFFFAOYSA-N 307.357 2.542 0 40 DFAB CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccs1)CCC2 58228550 RBHWHOBUHHEYPP-UHFFFAOYSA-N 321.423 2.745 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)C(=O)N(C)C2CCCCC2)n1 69808269 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Cc1ccc(C(=O)NCCn2cnnc2C2CC2)cc1Cl 71914443 LKHNMLKFWJEVEP-UHFFFAOYSA-N 304.781 2.547 0 40 DFAB O=c1oc(-c2cccs2)nn1CCOc1ccccc1F 9690075 AVUPYUDEJJAGLN-UHFFFAOYSA-N 306.318 2.783 0 40 DFAB Cc1cccc(NC[C@H]2CCN(Cc3noc(C4CC4)n3)C2)n1 97200554 XHHXKHBTLZTSOX-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB Cc1nc(CN2CCc3ccccc3[C@@H]2C(=O)O)sc1C 94969326 SLJUNRRIIZZAKX-OAHLLOKOSA-N 302.399 2.944 0 40 DFAB O=C(NCCc1ccc2c(c1)CCO2)Nc1cnc(C2CC2)nc1 95397259 LETZVUXJTSNWNR-UHFFFAOYSA-N 324.384 2.653 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 95423867 FVGVVEBIBAPGTD-UKRRQHHQSA-N 306.381 2.640 0 40 DFAB Cn1cnnc1C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 24694023 HCAOLHWNVPLGJS-UHFFFAOYSA-N 324.428 2.643 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1 95469889 KLCIDGGKVDQAMJ-LLVKDONJSA-N 303.749 2.628 0 40 DFAB CCCn1nnnc1CSCc1noc(-c2ccccc2)n1 95469035 FPNJATLYMAIFAJ-UHFFFAOYSA-N 316.390 2.567 0 40 DFAB CC(C)CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 75134376 IAWRTWKMPGPQNH-GFCCVEGCSA-N 304.312 2.694 0 40 DFAB Cc1cc(C(=O)NCCCCCCC(=O)O)nn1C(C)(C)C 89600839 KZYCUEVVTFCOED-UHFFFAOYSA-N 309.410 2.711 0 40 DFAB Cc1cccc(CN2CCn3c(-c4ccncc4)cnc3C2)n1 306126789 FFJRATGGLJOZLZ-UHFFFAOYSA-N 305.385 2.664 0 40 DFAB CCOC(=O)c1cnn(-c2ccccc2Br)c1F 66348286 CTJKROFUCSGPOM-UHFFFAOYSA-N 313.126 2.951 0 40 DFAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2occc2C)C1 548346447 ULXKHYPSJBNPMZ-MRXNPFEDSA-N 319.430 2.590 0 40 DFAB CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1CO 526059843 VARLZNMGPQHILF-LLVKDONJSA-N 302.374 2.822 0 40 DFAB Cc1nc(CNC(=O)[C@@H]2SCCc3sccc32)oc1C 79696694 SCFOGMGGZLKMRO-CYBMUJFWSA-N 308.428 3.000 0 40 DFAB O=C(O)C[C@H]1SC(=O)N(c2ccc(F)c(Cl)c2)C1=O 36635222 YLAXMUBTVKJURS-MRVPVSSYSA-N 303.698 2.522 0 40 DFAB O=C(CCc1ccccc1F)NC[C@@H]1COc2ccccc2O1 31241902 BYGDKYAQLOFWFN-CQSZACIVSA-N 315.344 2.715 0 40 DFAB C[C@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)OC(C)(C)C 72203469 YFAITYMWAJRUNA-JTQLQIEISA-N 312.801 2.576 0 40 DFAB O=C(O)CN1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 79416270 MHKLBNFOYVWLEF-KRWDZBQOSA-N 302.418 2.590 0 40 DFAB CC(C)c1noc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 40714412 QCCLCPGIHSXDED-LBPRGKRZSA-N 300.362 2.608 0 40 DFAB Nc1cc(Br)cc(I)c1F 575721947 AUMKHQHUAPXTBI-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB Cn1cc(CC(=O)NCc2cnc(C3CC3)o2)c2ccccc21 568480179 YBNRSLLZSIWROO-UHFFFAOYSA-N 309.369 2.903 0 40 DFAB C[C@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1 85747036 USLYZXGLXQNOOZ-NSHDSACASA-N 323.439 2.918 0 40 DFAB CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 225624174 SRDNIVFLAJQOFS-VIFPVBQESA-N 319.810 2.594 0 40 DFAB CC(C)=C(F)C(=O)Nc1ccc(C(=O)OC2CCNCC2)cc1 195542869 DIGREHSSPXVHMT-UHFFFAOYSA-N 320.364 2.797 0 40 DFAB CCC(=O)N(C)c1ccccc1C(=O)N[C@@H]1COc2ccccc21 96444673 DMZOXFHMJCBJMJ-OAHLLOKOSA-N 324.380 2.923 0 40 DFAB C[C@@H](NC(=O)Cc1cccc(O)c1)c1cccc(-n2cccn2)c1 97236742 RLWPAYMVVAHWMB-CQSZACIVSA-N 321.380 2.998 0 40 DFAB Cc1nc(C)c(-c2nn3c(-c4ccncc4)nnc3s2)s1 95479798 ITRMBWLEHYWZMN-UHFFFAOYSA-N 314.399 2.988 0 40 DFAB CC(C)C[C@H](C)OC(=O)N1CCC(N2CCCOCC2)CC1 583651601 PFNFXSHSVMNQNV-HNNXBMFYSA-N 312.454 2.744 0 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DFAB COC1(CNC(=O)CCc2ccccc2F)CCSCC1 225593619 RJPUHTIGBLKXAE-UHFFFAOYSA-N 311.422 2.787 0 40 DFAB Fc1cnc(N2CCN(c3nsc4ccccc34)CC2)nc1 1888900792 FAWWZGHFKCBAQF-UHFFFAOYSA-N 315.377 2.552 0 40 DFAB CN(C)[C@H](CNC(=O)c1cccn1C)c1ccccc1Cl 23192608 NGQCZJZSRDHLOE-OAHLLOKOSA-N 305.809 2.711 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cccc2cn[nH]c12)c1ccsc1 25332250 OXVHXCCJISZRNB-AWEZNQCLSA-N 314.414 2.657 0 40 DFAB Cc1cnc(Nc2ncc(F)c(C[C@H]3CCCNC3)n2)s1 2037838697 WPICMJANPLUWLZ-SNVBAGLBSA-N 307.398 2.666 0 40 DFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](CF)C1 1849471298 LDQPAVOFMWAFIB-NSHDSACASA-N 305.328 2.658 0 40 DFAB Clc1ccccc1-c1nnc2sc(Cn3cccn3)nn12 40288162 MKMVFURCCGLAQK-UHFFFAOYSA-N 316.777 2.751 0 40 DFAB Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCCNC2=O)cc1 50636505 UNHTYTREUJAJBJ-CQSZACIVSA-N 314.410 2.732 0 40 DFAB CCc1nc(NC(=O)CCCNC(=O)c2ccco2)sc1C 40539566 IZQMYMDIJINNPE-UHFFFAOYSA-N 321.402 2.756 0 40 DFAB O=C(CCCNC(=O)c1cc2ccccc2o1)Nc1ccccn1 20727926 JQZIYKXAKHBQOG-UHFFFAOYSA-N 323.352 2.977 0 40 DFAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCC1CCCC1 32769755 AOLFNLPFXATNGK-UHFFFAOYSA-N 316.401 2.647 0 40 DFAB O=C1CSC(=O)N1CCNc1ccc(Br)cc1 9338834 MLJBNRGQEMZOLR-UHFFFAOYSA-N 315.192 2.556 0 40 DFAB C[C@@H](c1ccc(F)cc1)N(C)CCCN1C(=O)NC(C)(C)C1=O 52301854 CAIOFSWIHGDEEY-LBPRGKRZSA-N 321.396 2.539 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29796440 QEKWWEVXIQJLET-PWSUYJOCSA-N 317.414 2.727 0 40 DFAB CCCCc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 1810681 UBOMZNJDBWTZPP-GFCCVEGCSA-N 319.386 2.659 0 40 DFAB COC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 407156 SYKOBGGIWSMPOP-UHFFFAOYSA-N 306.314 2.858 0 40 DFAB CCc1nnc(SCC(=O)Nc2cccc(C(C)=O)c2)o1 6359399 DTCIXEOVCKPEQK-UHFFFAOYSA-N 305.359 2.565 0 40 DFAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1Cl 6687786 DIZJMKCNBNGNDK-CYBMUJFWSA-N 323.776 2.926 0 40 DFAB COc1ccc2c(c1)[nH]c1c(N3C[C@H](C)O[C@@H](C)C3)ncnc12 527151 LRBRQFXAPRNTSQ-QWRGUYRKSA-N 312.373 2.733 0 40 DFAB O=C(CCNc1ncccn1)Nc1nc(-c2ccco2)cs1 53290305 PFHQWZWIWJHICX-UHFFFAOYSA-N 315.358 2.634 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 10694961 IRSXHARCRVIHJP-UHFFFAOYSA-N 316.313 2.623 0 40 DFAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1C[C@H]2CC[C@H]1C2 103811023 FTAMIEVMFHJCFE-JSGCOSHPSA-N 314.385 2.641 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 981350 AXJIFFXPFPROGZ-KWINOFQJSA-N 323.345 2.814 0 40 DFAB O=C(Nc1cccnc1N1CCOCC1)NC1CCCCCC1 54481599 SUZXAECDHKXQIJ-UHFFFAOYSA-N 318.421 2.763 0 40 DFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1Cl 27549289 HPYBVXYNQXTBPE-UHFFFAOYSA-N 322.817 2.550 0 40 DFAB CCC1=NN(C(=O)c2ccccc2F)[C@@](O)(C(F)(F)F)C1 59488956 NPQIXYHUQXEJCX-LBPRGKRZSA-N 304.243 2.689 0 40 DFAB Cc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)ccc1F 25062240 MICVBSLZSOXHTG-UHFFFAOYSA-N 311.353 2.893 0 40 DFAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3)C2=O)cc1 101275953 CSZTZKKRSYEOHX-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1cc([C@H]2CCCN([C@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 107143128 YGOYYHGAGZYQIK-YJBOKZPZSA-N 324.428 2.703 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 12792052 PGRSZOKJYLWIHF-INIZCTEOSA-N 315.394 2.507 0 40 DFAB CCC[C@@H](C)NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235955 BCWDNSUVXFDVKX-GFCCVEGCSA-N 316.401 2.948 0 40 DFAB CCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 27662117 XQSDLYGIOXXGDR-HNNXBMFYSA-N 310.825 2.630 0 40 DFAB CCN1CCC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)C1 58264763 TWEAWWZKHPULGS-LBPRGKRZSA-N 319.430 2.865 0 40 DFAB Cc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)c(C)c1 58231357 FJJQDOYRKCHHDZ-UHFFFAOYSA-N 302.399 2.899 0 40 DFAB COCc1cccc(C(=O)NCc2ccccc2-n2cccn2)c1 58290225 UYUXEMSZEBRGDC-UHFFFAOYSA-N 321.380 2.949 0 40 DFAB COc1ccc(C[C@@H]2CCCN2C(=O)Nc2nncs2)cc1 44972399 PHQLYGQAAGYDKM-LBPRGKRZSA-N 318.402 2.786 0 40 DFAB c1cc(CNCCc2cn3ccccc3n2)c2c(c1)OCCCO2 44973813 GLYBZZOQRVVWPW-UHFFFAOYSA-N 323.396 2.828 0 40 DFAB CCc1nc(C(=O)N2CCCC2)nn1-c1ccccc1Cl 58357938 NCSWLVNIUIMKGB-UHFFFAOYSA-N 304.781 2.719 0 40 DFAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NC1CCN(C)CC1 113970719 ZDCLRQYZPFSFGC-MRXNPFEDSA-N 304.434 2.671 0 40 DFAB CN(CC(=O)NCCc1ccc(F)cc1)Cc1cccs1 3491613 SYJUOBFPYUERCA-UHFFFAOYSA-N 306.406 2.678 0 40 DFAB O=C(COc1ccc2c(c1)CCC2)Nc1nnc(C2CC2)s1 3550965 FQININGZYJBABW-UHFFFAOYSA-N 315.398 2.922 0 40 DFAB Cc1cccc(CNC(=O)NCCCN2CCC[C@@H](C)C2)c1 48758727 KZMOQDAGVHHWNF-MRXNPFEDSA-N 303.450 2.916 0 40 DFAB C/C=C/C=C/C(=O)NCC(=O)Nc1ccc(Br)cc1 48800865 INSLWEGKZWEACF-MQQKCMAXSA-N 323.190 2.636 0 40 DFAB O=S(=O)(Nc1ccnn1Cc1ccccc1)c1ccccc1 69696584 LSAQLBALWIMFLW-UHFFFAOYSA-N 313.382 2.732 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cnc2ccccc21 69657200 YONIOEIPGDLAJH-LSDHHAIUSA-N 323.400 2.658 0 40 DFAB Cc1coc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc12 4084263 CTKUCGHTVIUZDR-UHFFFAOYSA-N 311.337 2.977 0 40 DFAB biogenic CCOc1ccccc1C[S@](=O)[C@@H](C)C(=O)NC1CCCC1 69705702 GHTARARHWXACRR-WHEQGISXSA-N 323.458 2.781 0 40 DFAB CCn1nccc1C(=O)N(c1nc(C)c(C(C)=O)s1)C1CC1 28244672 SRBJXKAWWYHEDR-UHFFFAOYSA-N 318.402 2.680 0 40 DFAB CCOc1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1C 69843740 HUHOVFGFUFMDSP-GFCCVEGCSA-N 321.421 2.818 0 40 DFAB COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1nccs1 14095723 FSXIOSFHJDKTHX-SNAWJCMRSA-N 320.370 2.821 0 40 DFAB CC[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CCO1 65563958 PNRDXYCCPBUNDW-JTQLQIEISA-N 302.827 2.764 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1Cc1ccc(Cl)cc1)[C@@H]1C[C@@H]31 408620849 KHUPHFBEMOUTAM-OJFNHCPVSA-N 313.784 2.893 0 40 DFAB Cc1ccc(COc2ccccc2/C=C/C(=O)NCCO)cc1 62715338 KKCGAYSIFRRNFG-ZHACJKMWSA-N 311.381 2.696 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cccc(F)c2)s1 6509551 XVQRLFKVBDRGRA-UHFFFAOYSA-N 320.389 2.584 0 40 DFAB O=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O 6567095 KAHLXPDRKOXGQB-UHFFFAOYSA-N 307.284 2.958 0 40 DFAB c1cnn(-c2ccc(CNc3ncnc4ccsc34)cn2)c1 14314058 XKKRTBBATKXWCU-UHFFFAOYSA-N 308.370 2.884 0 40 DFAB Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1C 7025519 ZXKUXNRUQXGXEW-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB COc1cccc(CC(=O)N2CCN(C)c3ccccc3C2)c1 68863499 MAGXSXNYCVUBFA-UHFFFAOYSA-N 310.397 2.716 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccn3C)C2)c1 81639972 KHBKOBIZMCYCQF-ZDUSSCGKSA-N 314.385 2.672 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1F 8259613 ZJQNNFNREBBGJQ-UHFFFAOYSA-N 315.344 2.650 0 40 DFAB Fc1ccc(F)c2c1CCN(Cc1cnc3cnccn13)C2 93815714 BEGGFADOFFWVNB-UHFFFAOYSA-N 300.312 2.566 0 40 DFAB CN(C)C1(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1 110516069 ZRCHVVUEFSLPRW-SOUVJXGZSA-N 309.523 2.904 0 40 DFAB Cc1nc(CNC(=O)NCCC[C@H]2CCCCO2)c(C)s1 97138062 HOETZCBKJCFIQW-CYBMUJFWSA-N 311.451 2.908 0 40 DFAB Cc1cccc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccccc2)c1 71858870 VJZDHDTVJCWUIP-NYHFZMIOSA-N 315.438 2.949 0 40 DFAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N1CCCC1 71883789 XWEWMBZUYFGSCV-UHFFFAOYSA-N 306.366 2.896 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1sccc1Br 72059841 RXJMHWGNJKCWNV-QMMMGPOBSA-N 306.181 2.699 0 40 DFAB COc1ccc([C@H](NC(=O)[C@@H]2CCO[C@H]2C)C(F)(F)F)cc1 97055688 ZOSMXPILROVWAG-BIMULSAOSA-N 317.307 2.840 0 40 DFAB Cc1noc(C)c1NC(=O)NCCOc1ccc(Cl)cn1 97015322 DDKDSZNVKPCSEU-UHFFFAOYSA-N 310.741 2.540 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)cs1 97017542 NZGPXJUAFNCPQC-CQSZACIVSA-N 318.398 2.958 0 40 DFAB CCn1c(C)nnc1CN1CCC[C@@H]1c1cccc(OC)c1 95393597 CTHANJDNGMQQOD-MRXNPFEDSA-N 300.406 2.952 0 40 DFAB CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cc(C)sc2C)CC1 95350316 OBEJDYMXLVUVRL-UONOGXRCSA-N 323.506 2.568 0 40 DFAB COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccnc(F)c2)cc1 95458895 RGQTUCONVLLPFZ-MEDUHNTESA-N 318.348 2.735 0 40 DFAB COc1cccc2cc([C@H](C)Nc3cncc(C(N)=O)n3)oc12 95408527 IEHXZVZLNLFQKF-VIFPVBQESA-N 312.329 2.503 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20143293 RDJICQCEMDCKID-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCO[C@@H](c3ccco3)C2)n1 89890899 QCODFZJDXUKTMV-OAHLLOKOSA-N 316.357 2.676 0 40 DFAB CCN(CC)C(=O)C1CCN(Cc2ccccc2N(C)C)CC1 75675291 MGYCIGQMWTUEMC-UHFFFAOYSA-N 317.477 2.833 0 40 DFAB Cc1ccc(N(C)CC(=O)NCc2ccccn2)cc1Cl 79097381 PRQOYGLPZSKFPQ-UHFFFAOYSA-N 303.793 2.796 0 40 DFAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C(N)=O)C(C)C)CC2 188135574 SRQUKTBFTROYCE-HZPDHXFCSA-N 317.433 2.606 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 78794422 TXIZVDZWJMDSHJ-XBVQOTNRSA-N 318.461 2.815 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3ncnc4nc[nH]c34)no2)cc1 71195095 BNKOAVWYLDFZPU-UHFFFAOYSA-N 320.312 2.569 0 40 DFAB CNc1ccc(C[C@@H]2CCCN(Cc3scnc3C)C2)nn1 72366109 KXSMROJQIMVWRZ-ZDUSSCGKSA-N 317.462 2.738 0 40 DFAB COCCNC(=O)C1=C(n2cccc2)S[C@@H]2CCCC[C@H]12 32646431 JVLVCKZLEBAFOO-QWHCGFSZSA-N 306.431 2.725 0 40 DFAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1CCCO1 71886326 BMUXDZZLNMCCDV-IUODEOHRSA-N 309.337 2.501 0 40 DFAB Cc1ccc(-c2ncco2)cc1NC(=O)NCCn1ccnc1 89334654 WOSZUJGCHIBHMI-UHFFFAOYSA-N 311.345 2.668 0 40 DFAB CCOc1ccc(C(=O)N2CCOCC2)cc1COCC(C)C 224740517 QKWPYAFBBQSLIM-UHFFFAOYSA-N 321.417 2.730 0 40 DFAB COc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228941104 XZFKXFHDINJVFW-UHFFFAOYSA-N 324.388 2.503 0 40 DFAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)O)o1 195551214 HGMXIRLHCCXVMI-MNOVXSKESA-N 305.355 2.768 0 40 DFAB Cc1cc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)nn1[C@H](C)C1CC1 529055872 LECOBIRLSVNOOP-CJBNDPTMSA-N 318.421 2.852 0 40 DFAB COc1cc(C)c(CN[C@@H]2CCN3CCCC[C@@H]23)cc1OC 195536472 JBIJADGSYQSMOG-CVEARBPZSA-N 304.434 2.729 0 40 DFAB C[C@]1(C(=O)O)Oc2ccccc2N(Cc2ccccc2F)C1=O 96517667 JGRLFSAKSQUSRW-KRWDZBQOSA-N 315.300 2.595 0 40 DFAB COC(=O)c1cc(NC(=O)NC2CC2)ccc1Br 96491603 FHZGUFZONAGVDP-UHFFFAOYSA-N 313.151 2.520 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)N[C@H](CCO)C1CC1 96422083 TWZMCRVADVAVPM-MRXNPFEDSA-N 318.417 2.578 0 40 DFAB Cc1cc(C)cc(-n2nc(NC(=O)NCC[C@H](C)O)cc2C)c1 96495653 CVICHKGJQDHORH-AWEZNQCLSA-N 316.405 2.690 0 40 DFAB c1ccc(N[C@@H]2CN(Cc3cccnc3)C[C@@H]3CCCO[C@@H]32)nc1 96040685 BOAAVGZMJBMCGJ-SCTDSRPQSA-N 324.428 2.568 0 40 DFAB CCn1cc(C(=O)NC[C@@](C)(O)c2cccs2)c(C(C)C)n1 96450346 CBCWUMLSQPVQAM-MRXNPFEDSA-N 321.446 2.725 0 40 DFAB COC(=O)NCC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 96446759 OPDMWMLNKKXNDN-GHMZBOCLSA-N 312.797 2.646 0 40 DFAB C[C@@H](CN(C(=O)c1csc2c1CCCC2)C1CC1)C(=O)O 97231887 BYEHJMUBUHCAGA-JTQLQIEISA-N 307.415 2.952 0 40 DFAB O=C(CC1CC1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109235 VFBKMUWLYJKCLL-QAPCUYQASA-N 300.402 2.889 0 40 DFAB O=C(c1ccco1)N1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 96108757 DEHWKEXCHTVESE-CRAIPNDOSA-N 319.401 2.575 0 40 DFAB COC(=O)CN1CCC(Nc2ccc(C)c3ncccc23)CC1 97371783 JBUMZUREBZQQDE-UHFFFAOYSA-N 313.401 2.593 0 40 DFAB CCS[C@H]1CCCC[C@H]1NC(=O)NC1CCC(O)CC1 96455573 RQDZNRAIJDYIKH-PQAZSJQKSA-N 300.468 2.653 0 40 DFAB COc1ccc(-c2noc(-c3coc4c3C(=O)CCC4)n2)cn1 583423258 VCYDOSSOQOKNPQ-UHFFFAOYSA-N 311.297 2.919 0 40 DFAB c1ccc(CN2CC3(C[C@H](Oc4cccnc4)CS3)C2)nc1 248057829 CHBXGBOZXBHTOP-INIZCTEOSA-N 313.426 2.616 0 40 DFAB Cc1cccc(CN2C[C@H]3CC[C@H]2[C@@H]3OCc2ccccn2)n1 247869780 KNPWUMYMHBDIEC-AYOQOUSVSA-N 309.413 2.965 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1S(=O)(=O)c1cccs1 257313320 URWVVELXWAAISA-LLVKDONJSA-N 311.432 2.696 0 40 DFAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3ncc(C)s3)C2)n1 257203147 AOWKBZDDHNTJEA-CQSZACIVSA-N 318.446 2.753 0 40 DFAB Cc1cnn(CCNC(=O)N2CC[C@@H](c3ccccc3C)C2)c1 265398972 OOFQNFBDZSNBHO-MRXNPFEDSA-N 312.417 2.699 0 40 DFAB CC(=O)NCCNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 390833448 HOVJGQQVZYIYRT-UHFFFAOYSA-N 311.385 2.920 0 40 DFAB C[C@H](CNC(=S)Nc1ccc2c(c1)CCC2)N1CCCC1 53518945 NSNBWGOYFJJHQW-CYBMUJFWSA-N 303.475 2.946 0 40 DFAB CC(C)N(C)CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 63466794 NKNCLNKYVFJPJT-UHFFFAOYSA-N 309.435 2.577 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)NCC(C)(C)C[C@@H](C)O 76066347 UJAMALNQSUILOT-LLVKDONJSA-N 310.442 2.999 0 40 DFAB C[C@H]1CCC[C@@H](C)N(C(=O)NCCCCn2ccccc2=O)C1 74266640 WXDDVZIHEBWFFL-JKSUJKDBSA-N 319.449 2.849 0 40 DFAB CC[C@@H]1COCCN1C(=O)N[C@H](C)c1c(F)cccc1OC 74739690 ABRGWEJRULZIMB-VXGBXAGGSA-N 310.369 2.716 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2csc(C)n2)C12CCC2 84800756 FDGBSDJWCHDGEL-ZIAGYGMSSA-N 323.462 2.941 0 40 DFAB CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1c1ccc[nH]1 89361390 APISCBGGXRRKCK-PKOBYXMFSA-N 313.445 2.645 0 40 DFAB Cn1nc(C2CCN(Cc3cscn3)CC2)c2cccnc21 1615080588 VGXFJCGDQPKLOX-UHFFFAOYSA-N 313.430 2.804 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2Cc3ccccc3NC(=O)[C@H]2C1 1908512025 WFQWQJHGRKYNIJ-STQMWFEESA-N 302.374 2.664 0 40 DFAB O[C@H]1CCCC[C@H]1N1CCN(c2ccc(Cl)cc2F)CC1 1772715146 JNKGEQFYLDBKFX-CVEARBPZSA-N 312.816 2.905 0 40 DFAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 5184125 BMBXBUPHNIJSEX-UHFFFAOYSA-N 306.724 2.734 0 40 DFAB C[C@]12CC[C@H]([C@]3(C)CCC4CC3(O)C4)[C@H](CO)[C@@H]1CCC2=O 5567141 QSUQXTWOXHXRAN-XGRNSDMBSA-N 306.446 2.932 0 40 DFAB COc1ccc(Cl)cc1C(=O)OCc1ccc(C(N)=O)cc1 16812178 HCFWLVAVDJVLAU-UHFFFAOYSA-N 319.744 2.805 0 40 DFAB CN(CCNC1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 156224655 PUDKEFMLGSHZRE-UHFFFAOYSA-N 322.424 2.533 0 40 DFAB Fc1ccc([C@H]2COCCN2Cc2nnc(C3CC3)o2)cc1 519805453 ONZZVUWTYNSMDP-CQSZACIVSA-N 303.337 2.660 0 40 DFAB Cc1ccsc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 11362465 HFZFXRDVKGFHBQ-UHFFFAOYSA-N 310.400 2.680 0 40 DFAB Clc1cnn(CC2CN(c3ncnc4ccsc34)C2)c1 1889136333 RHXJZFDINIJMPD-UHFFFAOYSA-N 305.794 2.678 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2cc(C3CCC3)ncn2)CC1 2087121024 YLTWVYBBHROBHF-UHFFFAOYSA-N 316.449 2.875 0 40 DFAB COC(=O)c1cc2c(cc1NC(=O)C1CCCCC1)OCO2 128103 NQVQKQOSVVEYQJ-UHFFFAOYSA-N 305.330 2.721 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3ccccc3Cl)o2)nn1C 12442996 QFYQIOISHZJIEW-UHFFFAOYSA-N 317.736 2.684 0 40 DFAB Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CC[C@@H](CF)C1 1848762219 PITJHXANAVUAAK-JTQLQIEISA-N 323.318 2.797 0 40 DFAB COc1ccc(-c2nnc(SCC(=O)OC(C)C)o2)cc1 122912 HZWHUQKGQYSEOR-UHFFFAOYSA-N 308.359 2.789 0 40 DFAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)[C@H]1CCOC1 585147894 GJZMTBXFXQHXBK-QWRGUYRKSA-N 323.439 2.663 0 40 DFAB C[C@H](CNC(=O)Nc1cccnc1)N1CCc2sccc2C1 40505479 IAHCKRBCFZANDJ-GFCCVEGCSA-N 316.430 2.711 0 40 DFAB Cc1ncsc1C(=O)NC[C@@H](C)N1CCc2ccccc21 40529173 ZFYBGHBCHOAFGJ-LLVKDONJSA-N 301.415 2.633 0 40 DFAB CCOC(=O)C1CCN(CCCOCCc2ccccc2)CC1 51159277 VWWXLOPLZASQAS-UHFFFAOYSA-N 319.445 2.911 0 40 DFAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCCO)c12 51341978 SVVKLWUPSQGZRV-UHFFFAOYSA-N 317.389 2.521 0 40 DFAB C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(S(C)(=O)=O)cc1 101652643 HGPGVGQDMHMDOF-SDADXPQNSA-N 305.443 2.953 0 40 DFAB O=C1NC(=O)c2ccccc2/C1=C\Nc1nc2ccccc2o1 102114738 LCWOFCIEZGVTIR-FMIVXFBMSA-N 305.293 2.551 0 40 DFAB COc1ccc(Nc2nnc(-c3ccccc3)c(=O)[nH]2)c(OC)c1 11905822 CFVIWBPOKHGTBH-UHFFFAOYSA-N 324.340 2.593 0 40 DFAB Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1 412587 PFCHFYXWILAEEA-UHFFFAOYSA-N 304.419 2.978 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1 8982943 ATIWYLKYYHZUQQ-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)NCc2ccon2)C12CCCCC2 79032977 ZCTKAOSXXUAXCF-UONOGXRCSA-N 307.394 2.602 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 3561772 HQLLZYYMTYIGSP-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 3648588 QEDBYKSXXKCZLQ-UHFFFAOYSA-N 321.380 2.774 0 40 DFAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)s1 7285013 NHBIXWDBAFYEKS-UHFFFAOYSA-N 318.350 2.867 0 40 DFAB CC(C)(C)NC(=O)CNC(=O)C1(c2ccc(F)cc2)CCCC1 41906467 MNRKITRJGOZTPG-UHFFFAOYSA-N 320.408 2.668 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 10747928 MSTKTONAJACNCR-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB O=C(NCCc1cccc(F)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104092502 IFSBVCOBESTEGQ-QAQJPARQSA-N 317.404 2.816 0 40 DFAB Cc1csc(CCNCc2ccc(-n3cncn3)c(F)c2)n1 42228540 KDXNXKDSWAXSJP-UHFFFAOYSA-N 317.393 2.504 0 40 DFAB CCn1nc(C)cc1-c1nn2c(C(F)(F)Cl)nnc2s1 61719307 KPDUYJHRYFZDIW-UHFFFAOYSA-N 318.740 2.666 0 40 DFAB CCCOc1ccc(C(=O)Nc2nc[nH]n2)cc1OCCC 23142252 SPVIHRHBTGVTEH-UHFFFAOYSA-N 304.350 2.635 0 40 DFAB O=C(NC1CCCC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 12558657 HZYJIYPQOQSPNE-UHFFFAOYSA-N 313.357 2.520 0 40 DFAB c1ccc2oc([C@@H]3CCCN(Cc4nnnn4C4CC4)C3)nc2c1 24667974 VZQBVMJEDHAZNM-GFCCVEGCSA-N 324.388 2.529 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C)OC(C)(C)C1 106644948 FTZSFXNOEKBIRJ-SNPRPXQTSA-N 303.402 2.825 0 40 DFAB Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)on1 55944831 YKKNKTBPNCVEBF-DZGCQCFKSA-N 304.321 2.772 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1 12680284 OYUMNZBCVKNCOZ-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB CN(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccco1 44366046 AQFVGTZVNPXZGA-OAHLLOKOSA-N 316.376 2.869 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 48243950 PBQQXECKUJUNSU-JQWIXIFHSA-N 306.793 2.608 0 40 DFAB CSc1ccc([C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 27160621 FCHAVSGGQVDWTO-IAQYHMDHSA-N 308.447 2.746 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC1CCCC1 3397977 LHDYBQZCYKRCEP-JXMROGBWSA-N 307.777 2.955 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(F)c1F 58192742 AJUACBWUBUKVDD-UHFFFAOYSA-N 318.279 2.902 0 40 DFAB COc1ccc([C@@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1O 44901373 HHUFKSDLZKUUCL-ZDUSSCGKSA-N 305.359 2.857 0 40 DFAB CSCC[C@H](NC(=O)Nc1ccccc1Cl)C(=O)O 2234994 CAVDJXSLEBZTEN-JTQLQIEISA-N 302.783 2.668 0 40 DFAB biogenic COc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1F 12794333 JWGIFJLKWZGWHH-SOFGYWHQSA-N 303.337 2.837 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)n2cccc/c2=N\C(C)C)cc1 10798837 GPXNSUMTOVXGNE-ORNQDVSDSA-N 324.380 2.937 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2C)N2CCCCC2)cc1 36309784 YGVNEGDLPGDQGQ-JLSDUUJJSA-N 316.445 2.994 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccc(F)cc32)c1C 59006719 MRFJMGKCDPKSCU-UHFFFAOYSA-N 316.332 2.760 0 40 DFAB CC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C 2493193 JMZRLSVPYXWONT-UHFFFAOYSA-N 311.385 2.734 0 40 DFAB COc1cc(CN2CCC(CO)CC2)ccc1OC(F)F 46091281 IDNHSEDKPVLKLS-UHFFFAOYSA-N 301.333 2.501 0 40 DFAB O=S1(=O)N=C(N[C@@H]2CCCc3ccccc32)c2ccccc21 3407315 UJBDYUKHYXOTBO-OAHLLOKOSA-N 312.394 2.803 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)CCN1CCCC1=O)C(C)C 70019699 WAORDJGJROLJIT-SFHVURJKSA-N 302.418 2.821 0 40 DFAB CCc1ccc(S(=O)(=O)NCCOc2ccccc2F)cc1 8325257 NCZSHVZVGWAJQJ-UHFFFAOYSA-N 323.389 2.745 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@H](O)c1cc(Cl)ccc1Cl 49075854 PNTAXYRIXZDCPO-HZMBPMFUSA-N 314.216 2.902 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)no1 63353567 XWHOMBRCCWWYDI-LSDHHAIUSA-N 303.337 2.820 0 40 DFAB COc1ccc(CCC2CCN(C(=O)c3cc[nH]n3)CC2)cc1 49621934 PXVPSXWVJSHKCH-UHFFFAOYSA-N 313.401 2.903 0 40 DFAB CCOC(=O)c1ccc(-n2c(C)nc3ccc(O)cc3c2=O)cc1 13687245 PRMZTAFQKXRLFE-UHFFFAOYSA-N 324.336 2.576 0 40 DFAB Oc1nc2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3 13723711 YRWZRNPWLKELTF-UHFFFAOYSA-N 323.381 2.985 0 40 DFAB Cc1ccc(-c2nnc(NC(=O)c3csnn3)s2)c(C)c1 65122687 NLVJPWCOMNZNCX-UHFFFAOYSA-N 317.399 2.926 0 40 DFAB CCc1nnc(NC(=O)Cn2c(CC)nc3ccccc32)s1 14093772 NQGIRKAMBZLXSD-UHFFFAOYSA-N 315.402 2.651 0 40 DFAB CCOc1ccc(NC(=O)NC[C@H](O)c2ccccc2)cc1 65606871 BFGWKFAMBCWLTR-INIZCTEOSA-N 300.358 2.940 0 40 DFAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccsc2)on1 17275490 BOQPTKZUZDFBFM-UHFFFAOYSA-N 308.359 2.829 0 40 DFAB CC(=O)[C@@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1Cl 6508804 SOBLZVQJDVDPGN-LLVKDONJSA-N 306.749 2.968 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 6588062 RYGGSBBSVPWYRZ-OAHLLOKOSA-N 324.380 2.682 0 40 DFAB COc1ccc(SC[C@@H]2CN=C(N3CCOCC3)S2)cc1 69696488 QJPHOABANYKZEQ-AWEZNQCLSA-N 324.471 2.591 0 40 DFAB O=C(COc1ccccc1)Nc1nnc(C(F)(F)F)s1 4815693 GYENYSCXHACQFZ-UHFFFAOYSA-N 303.265 2.574 0 40 DFAB CCCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H](C)CC 69739834 ZHTBQFANQUWMLX-ZDUSSCGKSA-N 317.437 2.711 0 40 DFAB COc1ccc(OC[C@@H](O)CN2CCCc3ccccc32)cc1 8696965 PVGVPAVXBFIPIA-INIZCTEOSA-N 313.397 2.888 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCc1ccccc1 408710306 WQMKORLENLRGQI-NVXWUHKLSA-N 316.445 2.820 0 40 DFAB C[C@H](Nc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1 72275999 ADFUZOJSNXAERI-NWDGAFQWSA-N 304.419 2.672 0 40 DFAB CC(C)CCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 7780500 WFIWZCJCMSMFBB-UHFFFAOYSA-N 324.730 2.683 0 40 DFAB COc1cc(C(=O)NCc2ccn3ccnc3c2)ccc1Cl 97230012 YXRMVCLPBDQTCB-UHFFFAOYSA-N 315.760 2.926 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCN1CCCC1=O 71897385 INGVWRQLQBZBHW-CJNGLKHVSA-N 322.836 2.724 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)c1Cl 71819856 GQGHCVGXZMOTAH-ZDUSSCGKSA-N 306.797 2.845 0 40 DFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](CCO)C1 71856950 ADVANSYHBYGPEO-ZIAGYGMSSA-N 301.390 2.892 0 40 DFAB CC(C)(C)c1ncc(C(=O)N2CCN3CCCC[C@H]3C2)s1 71839683 UQMGVCYDMOLWEG-LBPRGKRZSA-N 307.463 2.751 0 40 DFAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O 19990099 DBRCBENDHKSYPA-ZDUSSCGKSA-N 316.401 2.592 0 40 DFAB C[C@@H](c1ccco1)N(C)CCOc1cccc(S(C)(=O)=O)c1 71915652 TTXDUUBDWWQTIV-ZDUSSCGKSA-N 323.414 2.755 0 40 DFAB CN1CCC(NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 95369332 XRPUTDHOWDWMLU-MQVJKMGUSA-N 323.481 2.601 0 40 DFAB CC(C)c1nccc(Sc2nnc(CN3CCCC3)o2)n1 95394642 PWQRVDNNNIRVKM-UHFFFAOYSA-N 305.407 2.730 0 40 DFAB CC(C)[C@H](O)CNC(=O)Nc1ccc2cnn(C(C)C)c2c1 95400302 VEXYRSJVMQSINW-OAHLLOKOSA-N 304.394 2.756 0 40 DFAB CCOC(=O)c1cc(NC(=O)C[C@H](C)c2ccc(F)cc2)[nH]n1 95465006 FBXSJZYLSMUPGS-JTQLQIEISA-N 319.336 2.858 0 40 DFAB O=C(CCN1CCCC1=O)Nc1ccc(F)cc1-n1cccc1 95997247 PORHSNFETBDADW-UHFFFAOYSA-N 315.348 2.567 0 40 DFAB COCc1nc(CN(C)C2(C(=O)OC)CCCCC2)cs1 95976215 ABAFEMFGJOKHPE-UHFFFAOYSA-N 312.435 2.597 0 40 DFAB c1cc2occc2c(N2CC[C@H](OCCN3CCCCC3)C2)n1 95974187 RDOYUOFNIKTGCK-HNNXBMFYSA-N 315.417 2.909 0 40 DFAB CNc1ncc(C(=O)NCCc2cccc3cccnc23)s1 95978221 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307.365 2.923 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1F 14242018 OIYOOSVQBYAVSF-GFCCVEGCSA-N 315.348 2.652 0 40 DFAB O=C(CCC1CCCC1)NCCN1Cc2ccccc2C1=O 4815484 VCURXNOJGNHFPQ-UHFFFAOYSA-N 300.402 2.729 0 40 DFAB COCC(C)(C)NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C 66742828 BEWFDDRUMUKLPO-UHFFFAOYSA-N 316.442 2.563 0 40 DFAB C[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(N)=O 7035934 WBVDLWLRIKVAPF-JTQLQIEISA-N 303.745 2.824 0 40 DFAB Cc1cc(C)n(CCCNC(=O)CSc2ccc(F)cc2)n1 15418356 WZESYQRMFDNLKP-UHFFFAOYSA-N 321.421 2.938 0 40 DFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)NC2CC2)c1 7283181 KODNTLYVDVZRLW-UHFFFAOYSA-N 301.415 2.860 0 40 DFAB COc1cc(NC(=O)c2cc(OC)ccc2OC)cc(OC)c1 7474556 IXUBERPRTOLQSO-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)C2=COCCO2)cc1C 7655324 YZPQYHQKPKCDOZ-CYBMUJFWSA-N 304.342 2.614 0 40 DFAB O=C(c1cc[nH]c1)N1CCN(Cc2cccc3cccnc23)CC1 68257020 MUMQHVNKDJNFLX-UHFFFAOYSA-N 320.396 2.521 0 40 DFAB COC(=O)[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C(C)C 9314315 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OBOHMYIOJPLVPV-UHFFFAOYSA-N 320.368 2.756 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ncc[nH]1 95467280 UDEIXLMWXMSUAA-LLVKDONJSA-N 300.318 2.507 0 40 DFAB CCc1ccccc1NC(=O)CN(C)Cc1ncc(Cl)n1C 95469713 HVPGTIUYERBNOE-UHFFFAOYSA-N 320.824 2.706 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NCc1nnc(C2CC2)n1C 95984322 HVIUMYVGUQQLCQ-GFCCVEGCSA-N 300.406 2.860 0 40 DFAB COC(=O)Nc1cccc(C(=O)NCCCCCCC(=O)O)c1 95971402 DYPFTQSHIIGBGA-UHFFFAOYSA-N 322.361 2.630 0 40 DFAB CN(C)c1ccncc1CNC[C@@H](c1ccco1)N1CCCC1 95996701 HKSVOYVGOJBABE-KRWDZBQOSA-N 314.433 2.667 0 40 DFAB Cc1nc(CCN[C@@H]2CC[C@H]3SCCS[C@H]23)cs1 95984930 KPCVFEPMVJIVQH-JHJVBQTASA-N 300.518 2.963 0 40 DFAB COCCn1nc(C)c(CNC(=O)c2c(C)cccc2C)c1C 74723891 MMAUCNINPGXDNA-UHFFFAOYSA-N 315.417 2.693 0 40 DFAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccncc1 74825874 FOOJFKAKIWMROI-NSHDSACASA-N 310.806 2.916 0 40 DFAB CC(=O)Nc1ccc(CNc2ccc(-n3ccnn3)cc2)cc1 89980261 KYMYNTHEQKSVOC-UHFFFAOYSA-N 307.357 2.838 0 40 DFAB C[C@@H]1CN([C@@H](CNCc2cccnc2)c2cccs2)CCO1 75603956 MIBRZEUKNOLIFG-ZBFHGGJFSA-N 317.458 2.695 0 40 DFAB O=C(NCCc1ccccc1)c1cccnc1OCC(F)(F)F 24481611 WFNRLUIHXLAHEA-UHFFFAOYSA-N 324.302 2.995 0 40 DFAB Oc1nc(Cl)cc(N2CC3(CCC3)[C@@H]2c2cccnc2)n1 1548522441 VZSJEDQQWVFDCD-ZDUSSCGKSA-N 302.765 2.962 0 40 DFAB CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 69664698 WHKYDHGMLKBXCX-ZBEGNZNMSA-N 312.479 2.771 0 40 DFAB CC[C@@](NC(=O)c1ccc[nH]1)(C(=O)O)c1ccc(Cl)cc1 507309499 CZFCPUJHCCKWSP-HNNXBMFYSA-N 306.749 2.788 0 40 DFAB CC(C)CN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 72216586 VQFVALZGIJGCHU-KRWDZBQOSA-N 302.466 2.626 0 40 DFAB CCC[C@H](C)[C@@H](CO)NC(=O)CSc1ccc(OC)cc1 566372358 NVHAZOPIJQTSLL-SWLSCSKDSA-N 311.447 2.701 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCOC[C@H]1CC1CCC1 558074020 NXKVRGJKNHHNQY-XHDPSFHLSA-N 305.422 2.548 0 40 DFAB O=C(C[C@@H]1CCCO1)NC[C@@H](O)c1c(Cl)cccc1Cl 77648044 DIVBGJLUIYICQU-JOYOIKCWSA-N 318.200 2.712 0 40 DFAB O=C1CC[C@@H](c2nc(-c3ccccn3)no2)N1Cc1ccco1 72242483 MZFAGRADIJJVKV-ZDUSSCGKSA-N 310.313 2.588 0 40 DFAB CC(C)n1cncc1CN1CCC([C@@](C)(O)C(F)(F)F)CC1 567495029 ZYYFRMFSINYHPJ-CQSZACIVSA-N 319.371 2.989 0 40 DFAB C[C@@H]1CCn2ncc(C(=O)N3CCc4c(F)cc(F)cc43)c2C1 567921144 GNSRKWZBIRGUCV-SNVBAGLBSA-N 317.339 2.947 0 40 DFAB Cc1ccc(CNC(=O)CCc2nc(-c3cccnc3)no2)cc1 46429494 IHVSEXXUBWPHET-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB COc1ccccc1CC(=O)NCCO[C@H]1CCCC[C@@H]1C 40108226 GYOSCSSDOJXNPH-HOCLYGCPSA-N 305.418 2.949 0 40 DFAB CSc1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 224493190 BMKLKMGRJPNRAY-UHFFFAOYSA-N 323.399 2.560 0 40 DFAB CC(C)(C)[C@H](O)CCNC(=O)c1ccc(Br)cc1 75157763 XEJAPDTUCRRGSS-GFCCVEGCSA-N 314.223 2.976 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 226390929 ANPKQPKERIPPSY-UGMMYLGUSA-N 322.408 2.726 0 40 DFAB CCOC(=O)c1cnn(-c2cc(Cl)ccc2Cl)c1N 49906187 IGZICQVRAKSNRH-UHFFFAOYSA-N 300.145 2.938 0 40 DFAB CCN1CCN(Cc2cc(=O)oc3cc(C)c(Cl)cc23)CC1 19371433 ITCVRANLAVZAFY-UHFFFAOYSA-N 320.820 2.892 0 40 DFAB biogenic CO[C@H](CNC(=O)Cc1ccccc1O)c1ccc(F)cc1 84407010 CZGQBZANXYSEIK-MRXNPFEDSA-N 303.333 2.578 0 40 DFAB Cc1cc(C)c(NC(=O)N2CCC[C@H](n3ccnn3)C2)c(F)c1 575603834 OSTVRVKCELHBMZ-ZDUSSCGKSA-N 317.368 2.903 0 40 DFAB Cc1cc(NC(=O)CCn2cncn2)ccc1Oc1ccncc1 192590855 NCBKNPBDPDUVDO-UHFFFAOYSA-N 323.356 2.803 0 40 DFAB c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)cs1 96058841 DXYHTTFZKIDFQW-UHFFFAOYSA-N 318.446 2.672 0 40 DFAB O=C(C[C@@H]1C=CCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042096 OYOHENOATOXUMV-GRZALLJUSA-N 305.418 2.528 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cc2cccs2)C1 96454704 JYGYXNIKAWGYSP-LBPRGKRZSA-N 324.446 2.758 0 40 DFAB Clc1cnc(N2CCN(c3nc4ccccc4o3)CC2)nc1 267046740 DOHWXEBKAHWUHP-UHFFFAOYSA-N 315.764 2.598 0 40 DFAB Cc1nc(CNC(=O)Nc2ccc(F)c(-n3cccc3)c2)no1 96434891 XPVOUZBLENPZDE-UHFFFAOYSA-N 315.308 2.630 0 40 DFAB Oc1cc(C(F)(F)F)nc(SCc2nnc(C3CC3)o2)n1 96411938 DEPVTVJJJZJRJA-UHFFFAOYSA-N 318.280 2.754 0 40 DFAB CC[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1F 95433321 MDJNAKSCZGBAON-JKSUJKDBSA-N 323.389 2.616 0 40 DFAB O=c1c(=Cc2ccccc2)sc2nc(-c3ccc(F)cc3)nn12 254823533 NCNHELNGRNCWEO-UHFFFAOYSA-N 323.352 2.505 0 40 DFAB C[C@]1(O)CCN(Cc2nccs2)C[C@@H]1Oc1cccc(F)c1 257214242 CLEZGPPOZBJPAK-HOCLYGCPSA-N 322.405 2.687 0 40 DFAB Cc1ccc(NCc2cn(-c3ccccc3C(=O)O)cn2)nc1 257269977 MSGNVBTWUWDFJG-UHFFFAOYSA-N 308.341 2.886 0 40 DFAB Nc1cccc([C@@H]2CN(C(=O)CC3CCCCC3)CCO2)n1 257251391 JQOAIHBEAHCQOF-HNNXBMFYSA-N 303.406 2.534 0 40 DFAB CCOCC[C@H]1CCOC12CCN(C(=O)C1CC=CC1)CC2 253387026 YWBOUQNKIHCJSO-INIZCTEOSA-N 307.434 2.777 0 40 DFAB Cn1cc(/C=C/C(=O)N2CCC3(CC2)CCC(C)(C)OC3)cn1 585291509 POBBFTJRASNRMF-SNAWJCMRSA-N 317.433 2.631 0 40 DFAB CCN(CC)C(=O)CNc1cc(NC(=O)C2CC2)ccc1C 55849284 MTEUCTMMKGFHJD-UHFFFAOYSA-N 303.406 2.624 0 40 DFAB CC(=O)N1CCCN(C(=O)NCC2CCCCCCC2)CC1 79717019 DITLCRYFXCDRIA-UHFFFAOYSA-N 309.454 2.611 0 40 DFAB Fc1cccc2nc(N3CCC[C@@H](n4ccnn4)CC3)oc12 895105857 CSCAIWDBDPUCJB-LLVKDONJSA-N 301.325 2.790 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 89950064 ZMAAXUQCHQEDKU-AWEZNQCLSA-N 306.431 2.569 0 40 DFAB COc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1 641250931 ZXGPIEXIVXKCCJ-UHFFFAOYSA-N 310.401 2.689 0 40 DFAB CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(C)cc1 358825 RMZLEEAMEOSCEZ-LFIBNONCSA-N 312.344 2.651 0 40 DFAB CC1=C[C@@H]2C(N3CCNCC3)=Nc3ccccc3N[C@H]2S1 1542984514 KDLRPPDSXYTYHV-WBMJQRKESA-N 300.431 2.640 0 40 DFAB COc1ccc(COC(=O)c2ccccc2C(=O)O)cc1OC 5527330 ADONFFGFTZIJOI-UHFFFAOYSA-N 316.309 2.759 0 40 DFAB CC1=C(C)C[C@@H]2C(=O)N(CCOc3ccc(F)cc3)C(=O)[C@H]2C1 5977601 XPOCSKKNYAEKMW-HOTGVXAUSA-N 317.360 2.936 0 40 DFAB O=C1/C(=C/c2ccc(F)cc2)NC(=S)N1Cc1ccco1 14171094 RFIRKMHEYSGVGI-JYRVWZFOSA-N 302.330 2.677 0 40 DFAB O=C(Cn1cccn1)N[C@H](Cc1ccsc1)c1nccs1 19406060 WYFMYMBYSXCPFI-GFCCVEGCSA-N 318.427 2.501 0 40 DFAB Cc1ccc(-n2cc(CN3CCCN4C(=O)CC[C@]34C)cn2)cc1 19659071 WKJWFVKKKFLCFL-LJQANCHMSA-N 324.428 2.725 0 40 DFAB Fc1cc(Cl)cnc1N1CCC(COc2ncccn2)CC1 1888843912 XYPLYSJWIROOKN-UHFFFAOYSA-N 322.771 2.960 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1ccccn1)c1ccsc1 31987960 QGKVUSVOYWYBQY-HNNXBMFYSA-N 303.431 2.956 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)c1ccc(Br)s1 40218099 IAXKSRRGOBBXBM-MRVPVSSYSA-N 314.208 2.526 0 40 DFAB Cc1n[nH]c(C)c1NS(=O)(=O)c1cccc(Cl)c1F 36736311 SXIWEFIMMLYFCA-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB CC1(C)C[C@H]1C(=O)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056223747 DGAGMACJHTYOOK-KGLIPLIRSA-N 308.491 2.605 0 40 DFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 4320900 HDDBFQSIRRFNEM-OAHLLOKOSA-N 318.373 2.634 0 40 DFAB O=C(NC1CC1)C1CCN(c2nccc3sccc23)CC1 2086883018 URAKPPRVNKHNEM-UHFFFAOYSA-N 301.415 2.791 0 40 DFAB CC1CCN([C@H](CNC(=O)c2ccccc2O)C(C)C)CC1 31898813 IVGWWNBWWLUUHR-MRXNPFEDSA-N 304.434 2.879 0 40 DFAB CC(=O)N1CCC(NC(=O)Nc2ccc(C)cc2Cl)CC1 40525664 ZZORZMUQHSREMX-UHFFFAOYSA-N 309.797 2.781 0 40 DFAB COc1cccc(CNC(=O)Cn2cc(C=O)c3ccccc32)c1 51318970 FTLFDDQVCYPRRM-UHFFFAOYSA-N 322.364 2.779 0 40 DFAB COc1ccc(C(=O)[C@@H](C)OC(=O)COc2ccccc2)cc1 384567 LWUIQCZSMHUUJY-CYBMUJFWSA-N 314.337 2.889 0 40 DFAB NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 42568 ZYIMILUMMMUVLQ-UHFFFAOYSA-N 300.383 2.978 0 40 DFAB CC[C@H](C)NC(=O)c1ccccc1I 581851 DKLUEMFLAYVLHU-QMMMGPOBSA-N 303.143 2.820 0 40 DFAB Cc1ccc(Cl)cc1NCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102509878 MMIGDHZRWZNCGF-GVARAGBVSA-N 316.788 2.825 0 40 DFAB COc1cc(CNC(=O)N[C@@H]2CC=CCC2)cc(OC)c1OC 77546654 ZEUYRNIKDYKQIG-CYBMUJFWSA-N 320.389 2.620 0 40 DFAB Cc1ccn(C)c(=O)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 79055763 GYMPKYQWIWLMNM-LLVKDONJSA-N 320.776 2.753 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2O)C1 79014349 BDOIZBXNDBHJIC-NSHDSACASA-N 322.380 2.755 0 40 DFAB Cn1cc(CCCC(=O)NCCc2cnc[nH]2)c2ccccc21 79191031 UHTHUTDWIWDIKU-UHFFFAOYSA-N 310.401 2.583 0 40 DFAB biogenic O=C(NCCCN1CCCCC1)c1cc(-c2ccccc2)no1 32913635 NAYDXFPVZCBSEY-UHFFFAOYSA-N 313.401 2.947 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@H]1c1ccco1 84290464 NOWRKTGEMZRVRU-KGLIPLIRSA-N 309.369 2.858 0 40 DFAB Cc1ccccc1-n1c(CSC(=N)N)nc2ccccc2c1=O 4580221 XNUKVUQOPZZYLO-UHFFFAOYSA-N 324.409 2.821 0 40 DFAB CC[C@@H](CO)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 572317 JOFWMVWLYRLQSC-LSDHHAIUSA-N 312.413 2.516 0 40 DFAB C[C@@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1nncn1C 46962578 UMLYWPCRDNDQKB-IUODEOHRSA-N 313.405 2.595 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)OCc1ccccc1 8306453 ZIVRTQYEYVIUFW-ZBFHGGJFSA-N 318.417 2.998 0 40 DFAB CC(C)(C)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)o1 42569616 JHHDOOIIFSDLMV-UHFFFAOYSA-N 316.386 2.896 0 40 DFAB O=C(Cc1ccc2ccccc2c1)NCCCNc1ncccn1 42757299 JQOKLWVBEKSPCJ-UHFFFAOYSA-N 320.396 2.791 0 40 DFAB O=C(Nc1nncs1)N1CCC([C@H](O)c2ccccc2)CC1 43137891 NSMUTZLITKOWPE-CYBMUJFWSA-N 318.402 2.516 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cn1 55442439 IPZFDRKPXGZHJI-KRWDZBQOSA-N 315.392 2.726 0 40 DFAB COC(=O)C1=C(N)c2c(F)cccc2[C@@](C#N)(c2ccccc2)C1 1400289 MAECOVYTCGXEPH-IBGZPJMESA-N 322.339 2.882 0 40 DFAB COCCN(C)C(=O)Nc1ccc(OCc2ccccc2)nc1 56632202 BZXBLGGAQKMRIS-UHFFFAOYSA-N 315.373 2.771 0 40 DFAB O=C(NCCc1ccccc1)Nc1cccc(N2CCNC2=O)c1 47892821 CSRMYFJQWZQKGS-UHFFFAOYSA-N 324.384 2.580 0 40 DFAB COC(=O)CN(C(=O)CCSc1ccccc1F)C(C)C 47951879 VKNUFBXXZGHFAW-UHFFFAOYSA-N 313.394 2.718 0 40 DFAB C[C@H](OC(=O)c1ccccc1O)c1nc(-c2cccnc2)no1 58633618 CCYKUVKBHPGCEI-JTQLQIEISA-N 311.297 2.755 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nccs2)C1 171645428 XJGVTQDOQWGWKW-LBPRGKRZSA-N 305.403 2.697 0 40 DFAB CCOc1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1 20461159 PKOGYSLMOJAXRK-UHFFFAOYSA-N 323.389 2.844 0 40 DFAB COc1cccc([C@@H](CNC(=O)c2ccco2)N2CCCC2)c1 27340785 DSYMCHYSWFQYLW-MRXNPFEDSA-N 314.385 2.855 0 40 DFAB CCN(CC)CCCNc1nc(C2CC2)nc2c(C)nn(C)c12 57356020 XICWCLFZROSCSN-UHFFFAOYSA-N 316.453 2.693 0 40 DFAB CCCc1nc(C)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)s1 58101040 BAJQMBAIUWSUFW-UHFFFAOYSA-N 321.377 2.894 0 40 DFAB CCOC(=O)C1(NC(=O)c2cccc(COC)c2)CCCCC1 58217768 KDEHJUCRCDWAKK-UHFFFAOYSA-N 319.401 2.829 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1 58283156 KWVZRCYEXRKHKZ-UHFFFAOYSA-N 320.408 2.522 0 40 DFAB O=C(Cc1cccs1)NCc1ccc(N2CCCC2)nc1 44911060 VFIAXPUANWXHMU-UHFFFAOYSA-N 301.415 2.602 0 40 DFAB Cc1ncc2c(n1)CCN(Cc1nc3ccccc3nc1C)C2 44937788 QMMBNORNQLYTRU-UHFFFAOYSA-N 305.385 2.595 0 40 DFAB CC(C)(NC(=O)COc1ccccc1)c1ccc2c(c1)OCO2 58440451 RETQBKNOHFJZJY-UHFFFAOYSA-N 313.353 2.846 0 40 DFAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1F 28193939 SQKFSFZSABPCLW-UHFFFAOYSA-N 301.321 2.976 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3320088 DEZCLJLZCUUNTJ-UHFFFAOYSA-N 305.708 2.690 0 40 DFAB Cc1cc(C)cc(NC(=O)CCNC(=O)Cc2ccccc2)c1 12765673 MITSCSKWUZRQLW-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB CC(=O)N(CCCNC(=O)c1ccc(Cl)cc1F)C(C)C 48313403 IQPPZOJQNHMHDS-UHFFFAOYSA-N 314.788 2.856 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1 20399240 QVTRPOYSECUUSM-LLVKDONJSA-N 316.332 2.591 0 40 DFAB Cc1noc([C@@H](C)N2CCC([C@H](O)c3ccccc3)CC2)n1 45914018 GWJMPYVJTHYZPM-MLGOLLRUSA-N 301.390 2.885 0 40 DFAB Cn1cc(NC(=O)Nc2ccc(OC3CCCC3)nc2)cn1 171156166 LSFFJMIWORMBFL-UHFFFAOYSA-N 301.350 2.781 0 40 DFAB Cc1cccc(OCCOC(=O)c2ccc(NC(N)=O)cc2)c1 3408253 HFMMSTONGXPTEO-UHFFFAOYSA-N 314.341 2.721 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)Nc1cccc(F)c1 3450920 HDUDIYVOHRLUTI-UHFFFAOYSA-N 320.345 2.738 0 40 DFAB Cc1nc2n(c1C)CCN(Cc1cc(Cl)c3c(c1)OCO3)C2 69849106 VDALOSQORXQRMP-UHFFFAOYSA-N 319.792 2.898 0 40 DFAB CC(=O)N1CCCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 65415579 DDCPXDJLZMQBGR-LBPRGKRZSA-N 320.458 2.567 0 40 DFAB CC[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CCO1 65563955 PNRDXYCCPBUNDW-SNVBAGLBSA-N 302.827 2.764 0 40 DFAB CCc1[nH]c(C(=O)Nc2ccc(OC)cc2)c(C)c1C(=O)OC 14111783 LXYRCQIZQIEYQF-UHFFFAOYSA-N 316.357 2.933 0 40 DFAB C[C@H](c1cc(F)ccc1F)N1CCN(Cc2nccn2C)CC1 65611331 DWHXEPQPDPBYNG-CYBMUJFWSA-N 320.387 2.577 0 40 DFAB CCO[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O 4653828 DQGWCIXIXQASJE-LLVKDONJSA-N 322.670 2.691 0 40 DFAB Cc1cc(C)c(Cn2c(=O)n(C)c(=O)c3sccc32)c(C)c1 6679725 QAHOHRLAQOOFME-UHFFFAOYSA-N 314.410 2.735 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1C 7053193 GRKHISPMCDXRLK-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1O 7046414 QVJIBWKAFQFCET-UHFFFAOYSA-N 300.339 2.762 0 40 DFAB COC(=O)[C@@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 16223624 WJCGZLPTYUDVII-SNVBAGLBSA-N 302.326 2.569 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 68646384 LGBVOJXRTKJTFX-GHMZBOCLSA-N 322.327 2.551 0 40 DFAB CCCNC(=O)[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 16774257 QZRYIEDYAZTPML-GFCCVEGCSA-N 318.446 2.642 0 40 DFAB Cc1csc([C@H](C)CNC(=O)NCc2nc(C)c(C)o2)n1 96013828 IXVOMVHCLTWHLC-MRVPVSSYSA-N 308.407 2.659 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)c1 69454628 LFQMSMHHNUNTFT-CYBMUJFWSA-N 309.373 2.545 0 40 DFAB CCC(=O)N(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 69537284 YLVICWQYSKRTDE-UHFFFAOYSA-N 304.438 2.746 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c2ccccc2n1 8538118 AUIAASWTIOOLSK-LBPRGKRZSA-N 300.358 2.613 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccsc1)C(=O)Nc1nccs1 91842483 PENIFUOJKDYTMQ-NSHDSACASA-N 323.443 2.988 0 40 DFAB CC(=O)Nc1cc(NC(=O)CC2(C(=O)O)CCCC2)ccc1F 71795524 MUEPDEYUIYHFAV-UHFFFAOYSA-N 322.336 2.758 0 40 DFAB CCC(CC)N(C)C(=O)c1cccc(CN2CCOCC2)c1 71895990 XIXUCEIPOGQGKU-UHFFFAOYSA-N 304.434 2.779 0 40 DFAB Cc1c(C(=O)Nc2cccnc2Cl)cnn1-c1ccccn1 19910990 ZMPNKIUGBPCVJN-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CN(Cc1cccnc1)C1CCN(CCc2ccccn2)CC1 83865631 YDBCBZIGWLOUFX-UHFFFAOYSA-N 310.445 2.616 0 40 DFAB COC(=O)C1(C(=O)NCCc2csc3ccccc23)CC1 97145942 SPZUGJQONWOVMK-UHFFFAOYSA-N 303.383 2.513 0 40 DFAB Cc1cc(=O)c(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)c[nH]1 84068193 SKLSTNTZOBDRBB-OAHLLOKOSA-N 311.385 2.780 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2ccsc2)c1 97082355 BAZQRDOYQNCNMU-UHFFFAOYSA-N 323.439 2.991 0 40 DFAB C[C@@H]1CCC[C@H]1N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 97038250 YMCSXQTXCPQEKR-MXWKQRLJSA-N 304.398 2.720 0 40 DFAB O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H]1c1noc(C2CC2)n1 84334768 UDIBVLNGLKSTIC-ZDUSSCGKSA-N 313.361 2.525 0 40 DFAB COc1ccc(C(=O)Nc2ccccc2C)cc1OCC(=O)O 95424268 XDQNUDPJDLVLFX-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB COCc1nc2n(n1)CCC[C@@H]2NC1C2CC3CC(C2)CC1C3 95423822 GISCRZLNTFJMCT-RWUOKQAASA-N 316.449 2.674 0 40 DFAB COc1ccccc1CNc1ccc(NC(=O)CN(C)C)cc1 95429096 WSEQCPWXXSHTRQ-UHFFFAOYSA-N 313.401 2.807 0 40 DFAB O=C(Cc1ccon1)Nc1nnc(CC2CCCCC2)s1 73386016 ZFDMYGFXWGNOFY-UHFFFAOYSA-N 306.391 2.830 0 40 DFAB CCNc1n[nH]c(N)c1-c1nc(-c2cccc(Cl)c2)no1 98095651 FMRXIDKNVQGYQL-UHFFFAOYSA-N 304.741 2.794 0 40 DFAB C[C@@H]1c2cc(F)ccc2CCN1C(=O)CCCC(=O)N(C)C 73728119 RGVIAKTWVOJYNJ-GFCCVEGCSA-N 306.381 2.530 0 40 DFAB COC(=O)c1nn(Cc2noc3c2CCCC3)c(C)c1Cl 95997141 ORWGUCCNUMLGML-UHFFFAOYSA-N 309.753 2.547 0 40 DFAB COC[C@H]1CCCN(C(=O)NC[C@H](OC)c2ccc(F)cc2)C1 74928561 AMFXRWILPBXANL-BBRMVZONSA-N 324.396 2.581 0 40 DFAB CCS[C@@H]1CCCC[C@@H]1Nc1nn2c(=O)ccnc2s1 75105357 LDJBRNFBMDXCHE-VHSXEESVSA-N 310.448 2.627 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)Nc1cnn(-c2ncccn2)c1 89884855 VDBIGZCECJJUGM-UHFFFAOYSA-N 316.271 2.585 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)NCc2ccncc2)cc1 22535159 UQHXVEZRERXBGR-LBPRGKRZSA-N 302.399 2.887 0 40 DFAB CN(C)c1cccc(COC(=O)c2ccc(-n3ccnc3)nc2)c1 186687464 IBQIHURMCZKLLO-UHFFFAOYSA-N 322.368 2.690 0 40 DFAB Cc1cscc1NC(=O)NCCc1nnc2n1CCCCC2 124315537 PSQHOECJHOSATK-UHFFFAOYSA-N 319.434 2.739 0 40 DFAB CS(=O)(=O)N1CCC[C@@H](c2ccc(-c3ccccc3)cn2)C1 72365095 AXIYVOYURUPWMD-MRXNPFEDSA-N 316.426 2.888 0 40 DFAB N[C@@H]1C[C@@H]2C[C@@H](c3nc(Cc4c(F)cccc4F)no3)C[C@@H]21 1553318620 XFYLFOFURPANNN-AEISUSGSSA-N 305.328 2.779 0 40 DFAB COc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 32579250 QIUBJVNTKYKXKC-DFBGVHRSSA-N 305.374 2.763 0 40 DFAB CCNC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 36569505 IJYCRXOCPUMKBW-YYIAUSFCSA-N 303.450 2.611 0 40 DFAB CNS(=O)(=O)c1ccc(NC[C@@H](C)c2ccccc2)cc1 37131516 RCVGUQDYCONWGC-CYBMUJFWSA-N 304.415 2.810 0 40 DFAB Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c(F)cc1F 195542671 XFFVNUAVCHBWDC-CQSZACIVSA-N 305.280 2.829 0 40 DFAB CCC[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139877846 YLRDKJZGCUWYPF-VIFPVBQESA-N 318.826 2.630 0 40 DFAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)C 225764854 CGYUBNQPRHGTSK-SFHVURJKSA-N 318.461 2.791 0 40 DFAB CCOC(=O)c1csc(N(C)C(=O)[C@H]2C[C@@H]2c2ccco2)n1 96451946 NLSPONHHQDKJSC-UWVGGRQHSA-N 320.370 2.679 0 40 DFAB Fc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1 96113209 RFGMMCDVGZEHCB-QGZVFWFLSA-N 302.349 2.501 0 40 DFAB biogenic,in-vitro CCS[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96450546 NBSZLGGYNQJFCJ-UKRRQHHQSA-N 316.426 2.932 0 40 DFAB OC[C@H]1CCCCC[C@H]1NC1CCN(CCC(F)(F)F)CC1 97236283 KEDSNRCFWQDXGS-UKRRQHHQSA-N 322.415 2.934 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)CCN(C)C)c1 96408477 MDLLFAJVDCWRFW-OAHLLOKOSA-N 303.450 2.665 0 40 DFAB Cc1cccc(NC2CCN(Cc3cc(=O)c(O)co3)CC2)c1 96421201 HVMJTHJWANCISH-UHFFFAOYSA-N 314.385 2.730 0 40 DFAB Cc1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)n1 96040603 XWYNCXRXTBWZNC-UXLLHSPISA-N 321.490 2.527 0 40 DFAB COc1ccc(-c2cc(C(=O)O)nc3c4cccnc4nn23)cc1 95476698 KDVWVPYZOBIIKX-UHFFFAOYSA-N 320.308 2.651 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 257224042 FABKRNHPOKHNGP-HNNXBMFYSA-N 313.401 2.514 0 40 DFAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2nccs2)n1 257248988 JGDXHQAHGNKEIP-AWEZNQCLSA-N 317.462 2.640 0 40 DFAB Cc1cccc(C[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 257211941 CBEJZFHCDYQMIL-KRWDZBQOSA-N 309.413 2.809 0 40 DFAB Cn1cccc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 257320772 VYMZBERCAUGSPT-MRXNPFEDSA-N 306.369 2.619 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 260769992 UMTFGVAVCWNDMW-MELADBBJSA-N 309.431 2.779 0 40 DFAB O=C(CCCc1cccs1)Nc1nc(-c2ccccn2)n[nH]1 53523907 XAZUFMJETFHGEH-UHFFFAOYSA-N 313.386 2.890 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)NC[C@H](O)c1ccccc1 57158316 ONCQDDSAOGGGBY-HNNXBMFYSA-N 319.788 2.877 0 40 DFAB Cc1cc(C(=O)NCc2ccc(Br)c(F)c2)on1 69557970 KUJAPDWPXJKOBE-UHFFFAOYSA-N 313.126 2.815 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N[C@@H](C)c2cnn(C)c2)c1 88587456 LAWSKYAMDLOPOB-ZDUSSCGKSA-N 315.421 2.801 0 40 DFAB O[C@@]1(CNCc2cc(F)ccc2Br)CCSC1 90188321 SPSCSEKKAFBXBC-GFCCVEGCSA-N 320.227 2.546 0 40 DFAB O=C(CCCc1cccs1)N1CC[C@@](O)(C(F)(F)F)C1 98013068 VEQQWPCWTXTPOS-LBPRGKRZSA-N 307.337 2.597 0 40 DFAB Cc1nc(C)c(Br)c(NCC2(n3cccn3)CC2)n1 1548449104 HQSJWQIHEXSVOR-UHFFFAOYSA-N 322.210 2.654 0 40 DFAB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 5276343 YJDQQCHZOSGEJM-FUTJPDQTSA-N 323.270 2.538 0 40 DFAB O=C(C1CC1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12117171 BBDYKIXXNBWRHZ-HNNXBMFYSA-N 308.385 2.655 0 40 DFAB O=C1N[C@@H]2CCCCN2Cc2sc(Br)cc21 13120713 RYTGMKKRMGHENS-JTQLQIEISA-N 301.209 2.566 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 13170359 KYHYYUZLJSXEDS-MRVPVSSYSA-N 302.157 2.930 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 15424787 KLVBKJRYEYYAEN-UHFFFAOYSA-N 306.243 2.698 0 40 DFAB O=C(CSc1nnc(-c2ccccc2O)o1)N1CCCCC1 15885014 ATSAAFXONHKPNI-UHFFFAOYSA-N 319.386 2.547 0 40 DFAB CN(C)c1cc([C@@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 19584328 LDQHUUGRQGTDFG-INIZCTEOSA-N 319.412 2.847 0 40 DFAB C[C@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2[C@H]3O)C1 31158916 UMGQYHQGKBYIAJ-LZVRBXCZSA-N 308.333 2.783 0 40 DFAB biogenic,in-vitro C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CCCC1 4548511 LIMOCFDNAUIQFE-JTQLQIEISA-N 321.377 2.979 0 40 DFAB Cn1c(N2CC[C@H]3CN(c4ccccn4)C[C@H]32)nc2ccccc21 1889186994 SJOBNYARGZECRS-WMLDXEAASA-N 319.412 2.683 0 40 DFAB COc1ccccc1-c1nc(CSc2nnnn2C)cs1 15181003 DQGNYFJVPYSNJK-UHFFFAOYSA-N 319.415 2.635 0 40 DFAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CNCC[C@@H]3O[C@H]21 2037849863 XFGHFGLQRZEIMZ-DUUDNCRHSA-N 303.402 2.922 0 40 DFAB CCOC(=O)[C@]1(C)CCN(Cc2ccccc2)C2(CC2)C1=O 953018962 QERBWHSYRLVRCN-QGZVFWFLSA-N 301.386 2.563 0 40 DFAB COc1ccc2nc(NC(=O)c3snnc3C)sc2c1 4584561 HAWUUDMXHQWJSS-UHFFFAOYSA-N 306.372 2.717 0 40 DFAB O=C(Cc1cc(-c2ccco2)on1)NCc1ccc(F)cc1 23127226 PFRAQOFZPFEWIM-UHFFFAOYSA-N 300.289 2.933 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1C 33274050 FSFAWQJDKUSEKQ-JKSUJKDBSA-N 320.352 2.801 0 40 DFAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1F 7990554 NOUDTEWRTSBSFU-MEDUHNTESA-N 301.317 2.843 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nn1 31872099 VGVZOCUAOFFHOF-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB Cc1ccc(F)c2c1N(C(=O)CCN1CCSC1=O)CCC2 101026852 JIFBIAGECZXUBU-UHFFFAOYSA-N 322.405 2.972 0 40 DFAB CCCCN1CCn2c(nc3cc(C(=O)NC(C)C)ccc32)C1 20744434 QTYZDEHDLQMLED-UHFFFAOYSA-N 314.433 2.790 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2O)[C@H]1c1ccccc1 20737706 SGCDUVIQGBYDMQ-CXAGYDPISA-N 310.353 2.550 0 40 DFAB Cc1csc(=O)n1CCC(=O)NC[C@@H](C)c1ccccc1 20930408 SSJHZKPHTFRDHC-GFCCVEGCSA-N 304.415 2.528 0 40 DFAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)n1 21262296 OAQFNOSKRUUDTQ-NSHDSACASA-N 304.419 2.725 0 40 DFAB CNC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32741551 INYIHALIMKIKGT-LLVKDONJSA-N 301.317 2.570 0 40 DFAB CC(=O)Nc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccco2)C1 60101669 ADRKNQJHINIHNV-MRXNPFEDSA-N 311.341 2.936 0 40 DFAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1 29601820 YHFUPYGJDSWXRV-ABAIWWIYSA-N 306.431 2.572 0 40 DFAB Nc1ncc(C(=O)Nc2cc(F)ccc2F)c(C(F)(F)F)n1 82772 JXZOKIFKSZSZFA-UHFFFAOYSA-N 318.205 2.608 0 40 DFAB Cc1cc(C2=NN[C@@]3(C2)C(=O)Nc2ccc(F)cc23)ccc1F 132424 ZRBNXQDGCTVDQU-QGZVFWFLSA-N 313.307 2.818 0 40 DFAB COc1ccc(CCCN(C)Cc2cccc(C(N)=O)c2)cc1 69347880 SQUVRNOUHYKMRX-UHFFFAOYSA-N 312.413 2.859 0 40 DFAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ncccc2O)c1 512922 XTJHVAMERCCGIH-UHFFFAOYSA-N 301.371 2.531 0 40 DFAB COc1ccc(C(=O)CCC(=O)Nc2ccc(F)cn2)cc1F 79050004 OSQURNMZEJPFMA-UHFFFAOYSA-N 320.295 2.970 0 40 DFAB CCCCc1noc([C@@H](C)Oc2ccc(-n3cnnn3)cc2)n1 69975162 JMGGWIUBJBLXRJ-LLVKDONJSA-N 314.349 2.528 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1cc(C(=O)O)ccc1Cl 3247123 UGSGQROMTBIHDB-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1cccc(C(F)(F)F)c1 32983525 KBAUKTRJBBDNEV-SNVBAGLBSA-N 310.275 2.830 0 40 DFAB Cc1cccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 4846453 HAEQFQPUXYHJDN-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]2C1 4894493 UPYLROKHLZJDBD-JMJZKYOTSA-N 321.760 2.964 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)NC1CCCCCC1 6540061 XIDLTPLMHHCHIE-UHFFFAOYSA-N 302.374 2.824 0 40 DFAB CN(C)[C@@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 97140060 WHPXDENRICJGPT-SFHVURJKSA-N 321.428 2.864 0 40 DFAB CC[C@@H](Oc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1 8848297 NBKURSSLWAFSHI-CQSZACIVSA-N 317.345 2.738 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)Cc2cccc(Cl)c2)C1 47000946 IJEFTOMBBQQSEZ-SWLSCSKDSA-N 322.836 2.646 0 40 DFAB CC[C@@H](NS(=O)(=O)c1cnn(CC)c1)c1ccc(C)cc1 2804358 GVYPWLLYPXNSLZ-OAHLLOKOSA-N 307.419 2.641 0 40 DFAB O=C(NCC[C@@H]1CCCO1)c1c[nH]c(=S)n1-c1ccccc1 23189742 QPMRCUMPYRJWKN-ZDUSSCGKSA-N 317.414 2.834 0 40 DFAB O=C1O[C@H](C(=O)Nc2nc(C3CC3)cs2)Cc2ccccc21 23135204 GFXMZHHCAAOXHZ-ZDUSSCGKSA-N 314.366 2.741 0 40 DFAB O=C(NCCCNc1ncccn1)c1ccc2ccccc2c1 42757523 VRKUJCGULSEZCX-UHFFFAOYSA-N 306.369 2.862 0 40 DFAB O=C1C[C@@H](C(=O)NCc2cccc(F)c2)C2(CCCCC2)O1 57355703 FXEIBMARBIOQGW-AWEZNQCLSA-N 305.349 2.708 0 40 DFAB O[C@H](CN1CCC[C@@H]1c1cccc(Cl)c1)Cn1cccn1 106108594 PEALOJFBGAMMRF-HZPDHXFCSA-N 305.809 2.735 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cn1 24983361 BJHDFHPASYLFAR-NSHDSACASA-N 303.337 2.977 0 40 DFAB CC(C)N1CCC(NC(=O)c2ccc(Br)o2)CC1 20549651 KOEAIKQSSQYTRB-UHFFFAOYSA-N 315.211 2.645 0 40 DFAB COc1cc(C)c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 43405538 KFMZQXRAWGFSHQ-RYUDHWBXSA-N 308.378 2.653 0 40 DFAB CCc1nc(Nc2cccc(C(N)=O)c2)c2c(n1)c(C)nn2CC 57355567 RRCDVHRYKIINLM-UHFFFAOYSA-N 324.388 2.560 0 40 DFAB COc1cccc(C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)c1 12648637 XFNSPQTTYJTYEQ-ZDUSSCGKSA-N 323.389 2.805 0 40 DFAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccco2)cc1 48288626 HFMILRXLFDIHBK-ZDUSSCGKSA-N 315.369 2.999 0 40 DFAB NC[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 44540809 ZMGWVQDNCOUMED-JTQLQIEISA-N 315.186 2.542 0 40 DFAB CCN(CC)C(=O)[C@H](C)NC(=O)c1cccnc1SC(C)C 48219621 RTIWYLBGYORQLE-LBPRGKRZSA-N 323.462 2.569 0 40 DFAB CCOC(=O)c1ccc(-c2nnc(NC(=O)CC(C)C)o2)cc1 20496108 HMAHESNISSQYCR-UHFFFAOYSA-N 317.345 2.898 0 40 DFAB Cc1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1 48332360 UKDMFEHDHQGKBP-UHFFFAOYSA-N 302.399 2.743 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1 11605079 MHKCTWYJGZFGFL-CQSZACIVSA-N 306.369 2.817 0 40 DFAB CCO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 62639955 ARCMIBTZGMRABW-GFCCVEGCSA-N 316.405 2.928 0 40 DFAB COc1ccccc1NC(=O)CCCNC(=O)c1ccsc1 12977043 SSKTUYMGXJYDBS-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB Clc1cccc([C@H](CNc2ncccn2)N2CCOCC2)c1 69655230 ZXNFUXMPPYLNLK-HNNXBMFYSA-N 318.808 2.615 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2cn3ccccc3n2)n1 69617578 XYJZAMDNVMTSGU-QGZVFWFLSA-N 324.432 2.597 0 40 DFAB Fc1ccc(CN2CCN(C(=S)NC3CCCC3)CC2)cc1 13768743 JMAKPRORLRGLBF-UHFFFAOYSA-N 321.465 2.760 0 40 DFAB CCC[C@@H](NC(=O)CSc1nncn1C)c1ccccc1 5166524 IRRNJVPENUKRCP-CYBMUJFWSA-N 304.419 2.565 0 40 DFAB CC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C 8656539 VGLIWALWRHJKHV-UHFFFAOYSA-N 300.406 2.560 0 40 DFAB Cc1cc(C)c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 5292792 VVLQWYARUJMAPA-UHFFFAOYSA-N 314.385 2.659 0 40 DFAB C[C@H](O)c1ccc(CNC(=O)c2cncn2-c2ccccc2)cc1 65474312 GTMCDRFYGSJLCM-AWEZNQCLSA-N 321.380 2.856 0 40 DFAB Nc1nc(N)nc(SCc2cc3ccccc3nc2Cl)n1 14067251 PTIAYHIEHKZBAT-UHFFFAOYSA-N 318.793 2.530 0 40 DFAB COCc1nc(C(=O)N2CCC[C@@H]2c2cc(C)no2)cs1 65529463 GDAPAHXIQVQLCY-LLVKDONJSA-N 307.375 2.563 0 40 DFAB CC1CCC(C)(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 69813963 UMNZGXFPOSIPRN-UHFFFAOYSA-N 316.401 2.593 0 40 DFAB Cc1nc(CNS(=O)(=O)Cc2ccccc2Cl)cs1 65626073 JMUZHMDYXQQIOM-UHFFFAOYSA-N 316.835 2.725 0 40 DFAB COCCSc1nnc(-c2ccncc2)n1CC(F)(F)F 65695068 YCVYFPQSZVENIU-UHFFFAOYSA-N 318.324 2.641 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1cn2ccccc2n1 9115542 SBIYMCMYLWGUHF-UHFFFAOYSA-N 324.340 2.554 0 40 DFAB CN1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O 4739680 SLKSYJXRTPEONP-QMMMGPOBSA-N 301.165 2.512 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccccc2)nc1C 23152158 ONUFRACXOZTUEQ-UHFFFAOYSA-N 312.369 2.738 0 40 DFAB Cc1ccc(NC(=O)c2nc(-n3cnnc3)ccc2Cl)cc1 21721331 DSRXJMGYDSMUOL-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1nc(C)c(C(=O)Oc2cccc(-n3ccnn3)c2)s1 97115853 PJLBGPFWLHJUEL-UHFFFAOYSA-N 300.343 2.560 0 40 DFAB CCOC[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2n1CC 84496557 PYUQBZFGGFEAGQ-YOEHRIQHSA-N 317.433 2.591 0 40 DFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccccn1 84013765 JDWSJRFQJTXNFB-UHFFFAOYSA-N 309.329 2.563 0 40 DFAB O=C(N[C@H](C(=O)O)c1ccccc1F)c1ccc2ncccc2c1 97036414 JVKQFBMLOYQMOD-INIZCTEOSA-N 324.311 2.930 0 40 DFAB O=C(O)Cc1cccc(NC(=O)c2ccn(C3CCCC3)n2)c1 97036278 UPJRBRIDKLVIEG-UHFFFAOYSA-N 313.357 2.878 0 40 DFAB O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCC[C@@H]1CO 72288018 BNRGWEVSMKEISE-LLVKDONJSA-N 318.295 2.616 0 40 DFAB COc1ccc(NC(=O)c2ccc(N(C)C)cc2F)cc1CO 95447827 GXCDPBYUDMIPNA-UHFFFAOYSA-N 318.348 2.645 0 40 DFAB O=C(N[C@@H]1C=C[C@H](CO)C1)N(Cc1ccccc1F)C1CCC1 95412581 NVLCSFUTSLVHBC-DZGCQCFKSA-N 318.392 2.827 0 40 DFAB CCCCc1csc(C(=O)N2CCOc3ncccc32)n1 95407267 TXCHRKRVVZGBSL-UHFFFAOYSA-N 303.387 2.920 0 40 DFAB C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1cccn1 95953802 UKUTVOGUODTZAH-KCXAZCMYSA-N 317.364 2.620 0 40 DFAB O=C(O)c1cccc(C(=O)Nc2ccc(Cn3cccn3)cc2)c1 95956873 RAEMJMOUENVSCZ-UHFFFAOYSA-N 321.336 2.882 0 40 DFAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@@H]1C1OCCO1 74623393 RDEZJFWXSRKWRB-ARFHVFGLSA-N 322.449 2.892 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCc3c(Cl)cccc32)c(=O)[nH]1 75122765 GVRYCMRVWYBSGR-AWEZNQCLSA-N 302.761 2.754 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)CC2(C)OCCO2)o1 89652425 XQPBSESPOXYGLF-DGCLKSJQSA-N 310.394 2.737 0 40 DFAB Cn1cc(C[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)cn1 89755432 PNIIQRXZRYXOGB-HNNXBMFYSA-N 309.413 2.543 0 40 DFAB O=C(CNc1ccnc2cc(Br)ccc12)NC1CC1 89807749 YJPZDNQESHOWFY-UHFFFAOYSA-N 320.190 2.688 0 40 DFAB CC[C@H](NCCCn1ccnc1)c1ccc2c(c1)OCCO2 89947848 UFLCOPGXMSXBFM-HNNXBMFYSA-N 301.390 2.785 0 40 DFAB CC(C)C[C@H]1NC(=O)N(CCOc2cccc(Cl)c2)C1=O 23657028 ZFNNDHMUIVVURD-CYBMUJFWSA-N 310.781 2.685 0 40 DFAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1C[C@H]1C1CCC1 408502444 SPTAHPOWAJJGHE-DTWKUNHWSA-N 319.835 2.643 0 40 DFAB O=C1c2cccnc2C(=O)N1c1cccc(Br)c1 22073202 XJJNSBXZGKHWDW-UHFFFAOYSA-N 303.115 2.645 0 40 DFAB O=C(Cc1cccs1)N1CCn2c(-c3ccco3)cnc2C1 306134146 NEIYFIFBMBLTIK-UHFFFAOYSA-N 313.382 2.790 0 40 DFAB C[C@@H]1Cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2N1 78403794 NCUWOHNYAYKVDQ-CYBMUJFWSA-N 316.426 2.564 0 40 DFAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1ccc(F)c(F)c1 38671068 CVHSVCRUFVCIJD-SECBINFHSA-N 305.284 2.746 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H]3CCN(CC(F)F)C3)coc2c1 520766716 XXQSHNKDKYAELV-CYBMUJFWSA-N 322.355 2.739 0 40 DFAB COc1ccccc1OCCNC(=O)c1ccc2c(ccn2C)c1 72324930 HGRUZTVIXQTJJC-UHFFFAOYSA-N 324.380 2.996 0 40 DFAB biogenic CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2F)cc1 72228094 FPTQCFNPYJTLFU-JKSUJKDBSA-N 300.333 2.640 0 40 DFAB Cc1[nH]c(C(=O)OC[C@@H]2CCCCO2)c(C)c1C(=O)OC(C)C 73076638 HHKZXXXSVWCRLH-ZDUSSCGKSA-N 323.389 2.923 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(NCCCN(C)C)c21 72238334 BMEKMQWYAZPSQR-UHFFFAOYSA-N 304.442 2.642 0 40 DFAB Cc1cc(NC(C)C)nc(COc2ccc(C(=O)O)cc2)n1 226105824 SUOHSOZQCDRIRM-UHFFFAOYSA-N 301.346 2.883 0 40 DFAB CCOC(=O)c1cnc(C)nc1CSc1nnc(C2CC2)o1 46088894 NCHRUWWSVWMMOF-UHFFFAOYSA-N 320.374 2.514 0 40 DFAB CCOCCCNC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225361775 GQRRAQYHBAFYBB-UHFFFAOYSA-N 307.390 2.640 0 40 DFAB COCC1(CCNC(=O)[C@H]2COc3cc(C)c(C)cc32)CC1 571212012 LNPYSRCVHAMHAB-HNNXBMFYSA-N 303.402 2.712 0 40 DFAB O=C(NCc1cccs1)NC[C@H]1Cc2ccccc2CO1 225786470 DWXSGZCYGQNFKA-CQSZACIVSA-N 302.399 2.689 0 40 DFAB CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1CC1(C(=O)O)CC1 530165831 VOYBLINMDFQPGL-BXUZGUMPSA-N 315.417 2.701 0 40 DFAB Cc1nc2c(Nc3cnn(Cc4ccccc4C)c3)ncnc2[nH]1 41123956 AXMJDIPFZCDHGU-UHFFFAOYSA-N 319.372 2.958 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(CO)cc2)C1 228909084 SVBHFKKINVMOIH-CQSZACIVSA-N 306.406 2.672 0 40 DFAB COCN1C(=O)CCc2cc(NC(=O)c3ccsc3)ccc21 191329930 KAVOAIGHKIJJJE-UHFFFAOYSA-N 316.382 2.884 0 40 DFAB CC(C)COC(=O)N1CCC(C(=O)N2C[C@H]3CC[C@@H]2C3)CC1 96402813 YLNDTHVGZKMTNS-DZGCQCFKSA-N 308.422 2.502 0 40 DFAB CN(CC(C)(C)C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501180 OODAQFSLADBPAP-UHFFFAOYSA-N 310.341 2.767 0 40 DFAB Clc1cnc2nc(SCCOC[C@H]3CCCO3)[nH]c2c1 96429921 CBBDDLFSQHNXHI-SNVBAGLBSA-N 313.810 2.899 0 40 DFAB COc1ccc2sc(C(=O)N[C@H]3CCCNC3)c(C)c2c1 237328252 KGVZOZJRRPJGIB-NSHDSACASA-N 304.415 2.700 0 40 DFAB Cc1ncsc1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042088 YGYUSVCATDATME-OFQRWUPVSA-N 308.447 2.610 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccoc1)[C@@H]2C 96201198 NTRBJNCLMKGEAF-CQSZACIVSA-N 302.422 2.893 0 40 DFAB O=C(O)c1csc(CN2CCO[C@@H](c3cccc(F)c3)C2)n1 579967308 CHDRLWZVLZCBKZ-CYBMUJFWSA-N 322.361 2.554 0 40 DFAB CCCC[C@H](CC)CC(=O)N1CCC[C@H](N2CCNC2=O)C1 96409492 HUOCZLUQBGYVTG-GJZGRUSLSA-N 309.454 2.609 0 40 DFAB c1ccc(Nc2ccnc([C@@H]3COCCN3C3CCC3)n2)nc1 96218436 KAQLTEOKUUFBQI-AWEZNQCLSA-N 311.389 2.541 0 40 DFAB Cc1ncc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)[nH]1 581476106 NEQUCADUHLPJCJ-MRXNPFEDSA-N 319.792 2.503 0 40 DFAB C[C@@H]1CN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@@H](C)O1 96413402 LXNMEBBGDFPQMD-CHWSQXEVSA-N 314.389 2.728 0 40 DFAB CCC1CCC(NC(=O)C(=O)NCc2cccc(C)c2)CC1 340068721 JYBJLIWKRZXNNL-UHFFFAOYSA-N 302.418 2.696 0 40 DFAB COc1ccc(CCCN2CCO[C@H]([C@H]3CCCO3)C2)cc1F 252586545 QTBBXNDOXGLRRA-MSOLQXFVSA-N 323.408 2.647 0 40 DFAB c1cc(CN2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)n[nH]1 257287736 PRHBYASUXQIARX-HNNXBMFYSA-N 311.385 2.847 0 40 DFAB COCCN1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 257343948 ZVBSPWLORPQMPI-INIZCTEOSA-N 312.417 2.899 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc(C(C)C)ccc2O)[C@H]1O 257237038 HEXQAGMCCNSFSY-DJIMGWMZSA-N 321.417 2.564 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccncc3)C2)cc1F 257269102 MOOQDKLQIMXNEH-MRXNPFEDSA-N 300.333 2.743 0 40 DFAB COC1(CNC(=O)c2ccc3nccn3c2)CCC(C)CC1 279786453 JPAQFUJINOWFRN-UHFFFAOYSA-N 301.390 2.659 0 40 DFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cccnc1 96103712 ZCAFKHNIVXKHRM-UHFFFAOYSA-N 324.306 2.604 0 40 DFAB Cc1csc(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)c1 390826818 PZHPXXPOBRPKEW-MRXNPFEDSA-N 317.366 2.908 0 40 DFAB C[C@@H](NC(=O)CSc1ncn[nH]1)C12CC3CC(CC(C3)C1)C2 5736885 UHWYNDDYZQCYSR-GYPVXTSCSA-N 320.462 2.618 0 40 DFAB Cc1ccccc1OCCN(C)CC(=O)NC1CCCCC1 12897829 MQQKEJYJBQTPAQ-UHFFFAOYSA-N 304.434 2.755 0 40 DFAB Cc1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)cn1 156432002 ACMBSZJWLUWKSU-HNNXBMFYSA-N 302.422 2.730 0 40 DFAB CN1Cc2cccc(c2)CNCCCOc2ccccc2C1=O 643588650 JHXUILBQVNTWEM-UHFFFAOYSA-N 310.397 2.831 0 40 DFAB COc1ccc(-n2ncc3c2CCCN(C(=O)C2CC2)C3)cc1 12233172 XMQNAHJNRDNBQQ-UHFFFAOYSA-N 311.385 2.566 0 40 DFAB Cc1ccccc1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21058051 NNCAFVJELDMRLN-HOTGVXAUSA-N 318.461 2.542 0 40 DFAB COc1cccc(CNCc2ccnc(-n3cccn3)c2)c1OC 30900999 XMIAQCSIDLGILS-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB CC(C)c1nnc(C2CCN(C(=O)c3ccccn3)CC2)o1 38518240 QOTBDIFRKAQGKF-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB O=C(c1ccccn1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 244975279 IJNLUWLQZZIVEJ-HNNXBMFYSA-N 319.364 2.923 0 40 DFAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 4496295 VGEMQQAPDWSPOU-UHFFFAOYSA-N 321.373 2.937 0 40 DFAB CCOc1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 10220446 ZNEIMLNYTGXRBJ-INIZCTEOSA-N 319.401 2.891 0 40 DFAB Cc1c(Cl)cccc1-n1ccn(CC2CCC2)c(=O)c1=O 2298048313 LLCDIKAFCIXIFS-UHFFFAOYSA-N 304.777 2.761 0 40 DFAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccs1 11691647 UBUPAOFOMAALJU-UHFFFAOYSA-N 311.384 2.662 0 40 DFAB CCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc(Cl)s1 40473998 GXBKXNPWXKZAPI-NSHDSACASA-N 316.854 2.519 0 40 DFAB C[C@H]1C(=O)N(CCc2ccccn2)C(=O)N1c1ccc(F)cc1 40465660 FDAJTQBJSSFQLB-LBPRGKRZSA-N 313.332 2.621 0 40 DFAB CC(C)Cc1nc(Cn2nnc(-c3ccc(Cl)cc3)n2)no1 31654818 JMUXYKYAZJUFJB-UHFFFAOYSA-N 318.768 2.623 0 40 DFAB O=C(NCCCN1CC=CC1)Nc1cnc(-c2ccccc2)nc1 101632242 LUZMMGXJAGQDJH-UHFFFAOYSA-N 323.400 2.527 0 40 DFAB Cc1ccnc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 102182427 CUMWCGCUQNIJTE-ZOBORPQBSA-N 305.447 2.818 0 40 DFAB COc1ccccc1OCC(=O)Oc1ccc(C(C)=O)cc1 148550 RDIWJOTVEQHDRM-UHFFFAOYSA-N 300.310 2.882 0 40 DFAB COc1cc(NC(=O)c2cn3ccc(C)cc3n2)cc(OC)c1 928605 ZAMMRDAYGJZTPW-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB COCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 76092275 TZWQZXHCZSHLAO-UHFFFAOYSA-N 313.332 2.778 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)NCCc2csc(C)n2)C12CCC2 78951553 RSNWZFCBCPEISC-ZIAGYGMSSA-N 323.462 2.641 0 40 DFAB CN(C)c1ncccc1N(C)C(=O)[C@@H]1CCOc2ccccc21 79722124 FZFXHQWSZCWYQU-CQSZACIVSA-N 311.385 2.677 0 40 DFAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1C(C)(C)C 79775582 IBTUGEIHOHZMGG-OAHLLOKOSA-N 317.433 2.972 0 40 DFAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)N1CCCC1 6129232 YHJSCPGADRTVOH-LLVKDONJSA-N 320.393 2.509 0 40 DFAB CSc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6700362 SADRDJJOMWZIJH-QOBDMFJFSA-N 303.383 2.870 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F 7022575 CHHMPYPBKNFTAR-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CCc1ccccc1NC(=O)Cn1cnc2sccc2c1=O 7495198 CCFGCZVZKUQGAO-UHFFFAOYSA-N 313.382 2.659 0 40 DFAB CCCCn1c(SCCOc2ccccc2F)n[nH]c1=O 22615658 LQHVFTXNOYHQBZ-UHFFFAOYSA-N 311.382 2.682 0 40 DFAB COC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1C 9926414 IJIKLOSNUJQRKE-UHFFFAOYSA-N 302.721 2.540 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cn1 22865221 MIUXOJFAKFSRBK-UHFFFAOYSA-N 309.369 2.878 0 40 DFAB Cc1oc(C)c(C(=O)N2CCN(Cc3cccnc3)CC2)c1C 54485978 ODVHUKXVRCXOOD-UHFFFAOYSA-N 313.401 2.558 0 40 DFAB CCOC(=O)N(C)c1ccc(NC(=O)Nc2cnn(C)c2)cc1 54530021 NKEQIULYICKLHC-UHFFFAOYSA-N 317.349 2.657 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1ccncc1 42797535 RMAMUTPUXVVQER-KRWDZBQOSA-N 312.417 2.728 0 40 DFAB CC(C)[C@H](C)NS(=O)(=O)c1ccccc1Br 23994049 PVNOHXLEUHNZKR-VIFPVBQESA-N 306.225 2.772 0 40 DFAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cccs1 55623581 SNMXHVKPVXHDMH-UHFFFAOYSA-N 324.405 2.888 0 40 DFAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1C[C@@H]1C1CC1 107359587 NJLLBWRGJYAQCZ-UHOSZYNNSA-N 312.457 2.713 0 40 DFAB C[C@H]1CN(C(=O)CCCOc2cccc(F)c2)[C@H](C)CN1C 108153260 USOKRAXSLCQXGJ-UONOGXRCSA-N 308.397 2.536 0 40 DFAB C[C@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 108461153 VYBHYUBJEUMASB-LMRQPLJMSA-N 308.447 2.897 0 40 DFAB CC(C)[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1nc(-c2nnc[nH]2)no1 108478018 UWNYRHKNDVSMPA-LOWDOPEQSA-N 318.425 2.966 0 40 DFAB COCCN(Cc1ccccc1)C(=O)c1cc(C2CC2)on1 58265667 ZJHUSMAOHUZSOT-UHFFFAOYSA-N 300.358 2.841 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cccnc2)c(C)c1 58265600 NGYOLEGOUQFOQG-ZDUSSCGKSA-N 320.414 2.828 0 40 DFAB CC(C)Oc1ccc([C@H](C)NC(=O)CN2CCSC2=O)cc1 44908950 WNMNUMYLSCMACK-LBPRGKRZSA-N 322.430 2.820 0 40 DFAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc2ccccn12 48374442 JMZZUAMPTRNHRQ-JTQLQIEISA-N 300.749 2.874 0 40 DFAB COc1ccc(NC(=O)CN(C)[C@H]2CC[C@@H](SC)C2)cc1 110646090 IVYMVUKFUIPAIF-DZGCQCFKSA-N 308.447 2.850 0 40 DFAB COCCCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569275 BVUDLNPQDKBCHE-UHFFFAOYSA-N 314.389 2.603 0 40 DFAB COc1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 28498148 UVAFNLXGCAQCGQ-VAWYXSNFSA-N 303.383 2.786 0 40 DFAB O=C(NCCOc1ccc2ccccc2c1)c1cccnc1O 10998605 WUICDLLHNMRJFL-UHFFFAOYSA-N 308.337 2.749 0 40 DFAB C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 59181818 IYQAAZHLBBJUNB-QEJZJMRPSA-N 316.401 2.968 0 40 DFAB in-vitro C[C@H](NC(=O)c1nc2ncccn2n1)c1ccc(C(C)(C)C)cc1 36611677 DUNPNAMVWNLZHW-LBPRGKRZSA-N 323.400 2.913 0 40 DFAB c1cc(OCc2nc3ccccc3s2)cc(-n2cnnn2)c1 3447008 ULQNWYJDIGWGLV-UHFFFAOYSA-N 309.354 2.851 0 40 DFAB CC(=O)/N=c1/n(C)c2ccccc2n1CCOc1ccccc1 59920972 JEFRBBRQTQOKSK-HNENSFHCSA-N 309.369 2.506 0 40 DFAB CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 12994627 NAONAFUNAIVTPK-UHFFFAOYSA-N 308.432 2.570 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)cc1 12973194 CGBLLLRFUJGDPO-HNNXBMFYSA-N 306.387 2.817 0 40 DFAB CC(C)[C@H](C)NC(=O)NCc1cccc(NC(=O)NC2CC2)c1 69619200 GRQQFYJZHDQDGL-LBPRGKRZSA-N 318.421 2.814 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1ccccc1Cl 13007263 URTCXCLSETTYCO-MDZDMXLPSA-N 308.809 2.726 0 40 DFAB CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O 4205299 DLCLYUTWBTWFSL-PCPABOIYSA-N 311.447 2.525 0 40 DFAB Cc1ccc(NC(=O)NCCSCCCO)cc1Cl 69741245 OXKGFRINOFKILV-UHFFFAOYSA-N 302.827 2.886 0 40 DFAB Cc1cccc(CN2CCN(Cc3nnsc3Cl)CC2)c1 39990598 QQQGLXDVVYPVFD-UHFFFAOYSA-N 322.865 2.818 0 40 DFAB CC(C)CNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65529707 VLZUKEHMVIUZRH-VIFPVBQESA-N 310.448 2.629 0 40 DFAB COc1ccc(CC[C@H](C)NC(=O)NCc2ccccn2)cc1 65593122 VXDBRMNSOLWYBE-AWEZNQCLSA-N 313.401 2.911 0 40 DFAB CCOc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1 65224833 XSDFJSZBVUZEJI-UHFFFAOYSA-N 312.373 2.728 0 40 DFAB COc1ccccc1CSc1nc(=O)[nH]c(C)c1C(C)=O 14112642 ISWRCPWLCJVILQ-UHFFFAOYSA-N 304.371 2.582 0 40 DFAB COc1ccccc1C1(CNC(=O)NCc2ccccn2)CC1 65606838 ALSHJJPUIYTANI-UHFFFAOYSA-N 311.385 2.621 0 40 DFAB O=C1C(=O)N(CCOc2ccccc2)c2ccc(Cl)cc21 4539463 GSZGKWADZSZEOG-UHFFFAOYSA-N 301.729 2.948 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4505010 WGLYPIWNXBNHHH-AWEZNQCLSA-N 304.733 2.742 0 40 DFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1c(C)noc1C 4564564 CHECLICRSBXXEN-SXGWCWSVSA-N 314.341 2.512 0 40 DFAB CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 8250203 IRTSVYFLSQCXCO-JTQLQIEISA-N 308.451 2.743 0 40 DFAB C[S@@](=O)c1ccc(C(=O)O[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 110643862 HOGVBQWITUTHMU-DQMOJMCFSA-N 322.426 2.784 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccco1 5632662 QPELZOYJYJHHQO-SOFGYWHQSA-N 300.314 2.899 0 40 DFAB CCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 14701096 BGHCBJCEYNWDQM-UHFFFAOYSA-N 304.777 2.690 0 40 DFAB COc1cccc(CNC(=O)CSc2nccn2C2CC2)c1 14805988 HYIRKIBXHKVDFF-UHFFFAOYSA-N 317.414 2.635 0 40 DFAB COc1ccccc1NC(=O)NCCCn1nc(C)cc1C 8336582 NIICBQOROKFLJI-UHFFFAOYSA-N 302.378 2.720 0 40 DFAB CC(C)NC(=O)c1cc(F)ccc1I 69417594 RCULDMDNDKRXTK-UHFFFAOYSA-N 307.106 2.569 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2nnc(-c3ccco3)o2)c1 69491654 ZDXYYVBHVFJMCK-NWDGAFQWSA-N 301.350 2.574 0 40 DFAB O=C1CC[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)N1 69488726 RTFRSXCRYBQNEE-GOSISDBHSA-N 322.408 2.537 0 40 DFAB CN(CCCc1nnnn1-c1ccccc1)Cc1cccs1 69452143 PXDNZQPAUWAXHY-UHFFFAOYSA-N 313.430 2.788 0 40 DFAB COc1ccc(NC(=O)c2cc(OC)ccc2OC)c(OC)c1 7398204 RFUIRUQPNMMANS-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB CCc1nnc(NC(=O)[C@@H](CC)Nc2ccc(OC)cc2)s1 7460369 PJTDXVWWXTYXEO-GFCCVEGCSA-N 320.418 2.938 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CN1 84392697 YBCNZULVXADIIX-RHSMWYFYSA-N 318.392 2.699 0 40 DFAB C[C@@H](CCNS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 72717679 VCGBCBZTZKBFFZ-JTQLQIEISA-N 324.368 2.595 0 40 DFAB CCCN(CCO)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 95349447 TZWWRHSBMSTGJU-UHFFFAOYSA-N 316.401 2.814 0 40 DFAB CCCn1c(NC(=O)Cn2nc(C)cc2C)nc2ccccc21 9156932 ZDTBIZGPSZBNHA-UHFFFAOYSA-N 311.389 2.898 0 40 DFAB CCc1nc2c(s1)[C@H](N[C@@H]1CCCN(CCOC)C1)CCC2 95422074 GZZHSOLEBYGMLJ-ZIAGYGMSSA-N 323.506 2.783 0 40 DFAB CC(C)c1n[nH]c(S[C@H](C)C(=O)NCc2cccs2)n1 9451529 WXSINAHJYWUCES-SECBINFHSA-N 310.448 2.787 0 40 DFAB O=C(CC1(O)CCCCC1)NCC1([C@H](O)c2ccccc2)CC1 95434572 XRTPWZOUFLNBPY-QGZVFWFLSA-N 317.429 2.702 0 40 DFAB Cc1csc(=O)n1CCC(=O)N[C@H]1CCCc2ccccc21 9516543 KTTFWZIDFDZDLJ-HNNXBMFYSA-N 316.426 2.802 0 40 DFAB COCCN(C)C(=O)Nc1cc(F)ccc1N1CCCCC1 71867513 HZNXHIWRXFYNHK-UHFFFAOYSA-N 309.385 2.926 0 40 DFAB Cc1nc(-c2cnn(C)c2)sc1C(=O)OC1(C2CC2)CC1 84064784 MQPNRLKCCKPTIS-UHFFFAOYSA-N 303.387 2.951 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCCC[C@@H]1C 97091300 CMISCNJSXKEVIB-CMPLNLGQSA-N 305.422 2.684 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc3[nH]ncc3c2)c2ccc(F)cc2N1 97054221 PGWBEVUNHGIHNF-CYBMUJFWSA-N 324.315 2.767 0 40 DFAB NC(=O)c1csc(C(=O)Nc2ccc(-c3cncnc3)cc2)c1 72290229 YEGCBASOQLTROR-UHFFFAOYSA-N 324.365 2.556 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@@H](C)c2ccccc2Cl)on1 72275108 HOMHJDXQZIHXBO-JTQLQIEISA-N 314.794 2.817 0 40 DFAB Cc1cc(NC(=O)N2CCC[C@@H]2CO)ccc1N1CCCC1 72288014 LHOIWFZYZRJAHH-OAHLLOKOSA-N 303.406 2.584 0 40 DFAB CCOCCCOC(=O)c1cc(N(C)C)nc2ccccc12 95942879 TZXWHDPJMUZHNT-UHFFFAOYSA-N 302.374 2.884 0 40 DFAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc[nH]1 95977703 QTCADWXLLOMVOV-SSDOTTSWSA-N 305.388 2.534 0 40 DFAB CSc1ccsc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 95977758 UKIYWEVXCVTTEZ-AAEUAGOBSA-N 305.424 2.858 0 40 DFAB Cc1cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ncn1 95972398 OJFDVDTZKZRCAL-CYBMUJFWSA-N 306.410 2.669 0 40 DFAB Cc1noc(C)c1CN[C@@H](C(=O)NC(C)C)c1ccccc1 95955464 YTXFJJLECSFMHC-MRXNPFEDSA-N 301.390 2.647 0 40 DFAB Cc1nc(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cs1 89709036 FSEZMOONHORTQM-VIFPVBQESA-N 301.371 2.687 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(C(=O)N(C)C)ccc1F 89874473 NNQUDNYWPFOPSU-UHFFFAOYSA-N 319.340 2.511 0 40 DFAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccco3)C2)c(OC)c1 89930408 ABXJEEBIKWIAAP-HNNXBMFYSA-N 314.341 2.994 0 40 DFAB COc1ccccc1/C=C/CN[C@H](C)c1nnc2n1CCCC2 89913848 KODIRCAOJKKPER-RCQQVGEISA-N 312.417 2.987 0 40 DFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21 22234330 ZHOKFGANLPDXRR-UHFFFAOYSA-N 310.328 2.608 0 40 DFAB C[C@@]12CC[C@H](O)[C@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@H]1C[C@H]2O 123370713 JVYOPHXXWSMLAS-INUQKMSESA-N 306.446 2.930 0 40 DFAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1c1ccncc1 43482416 LLIXCBHIRVPTRG-WMLDXEAASA-N 310.353 2.585 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)Nc2ncc(C)s2)n1 72240413 SEIOUQQSQXDNKG-UHFFFAOYSA-N 305.407 2.648 0 40 DFAB COC(=O)CCSc1nc(N)c2c3c(sc2n1)CCCC3 3851503 JISZTXVUUWWIGL-UHFFFAOYSA-N 323.443 2.808 0 40 DFAB biogenic COC(=O)CNC(=O)c1ccc2ccn(Cc3ccccc3)c2c1 36367070 WZHXTUJHGAQWEZ-UHFFFAOYSA-N 322.364 2.592 0 40 DFAB Cc1cnc(CN2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)o1 75738061 FXMOOQKMMJMMQM-RYUDHWBXSA-N 309.410 2.813 0 40 DFAB C[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(OCC(N)=O)c1 75837947 KDQOTUCJNAVBIB-QRTARXTBSA-N 302.418 2.704 0 40 DFAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2CCO)n1 72376761 RXIQDHAHFJOVDT-AWEZNQCLSA-N 318.808 2.508 0 40 DFAB Cc1cc(C)nc(N2CCC(CNC(=O)C3CCCC3)CC2)n1 72347503 PKDOEHABNXMBMG-UHFFFAOYSA-N 316.449 2.616 0 40 DFAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224855775 PPSIKBLQIKNZNM-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB CCc1nc(CS[C@H](C)C(=O)Nc2ccnn2C(C)C)no1 193626592 HEXITMWJNVQDPP-SNVBAGLBSA-N 323.422 2.670 0 40 DFAB Cc1nc2c(cnn2C)c(Cl)c1I 225814740 SJXNNCFPBGNGBJ-UHFFFAOYSA-N 307.522 2.535 0 40 DFAB CC(C)OCCCNC(=O)c1cc2cc(Cl)ccc2oc1=O 226042033 AYSMQQXWCUETBJ-UHFFFAOYSA-N 323.776 2.991 0 40 DFAB Brc1nccc2c(I)c[nH]c12 44713187 NXUWBVUOGALNID-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB CCn1cc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cn1 96472891 MZATWTWXFIXRSO-UHFFFAOYSA-N 307.357 2.637 0 40 DFAB Cc1ncsc1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(C)C 96041483 GZDQWZYSBYEPRG-SQWLQELKSA-N 310.463 2.856 0 40 DFAB C[S@@](=O)C[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 96445486 HLNQZNLKDQFFMN-SZNDQCEHSA-N 322.817 2.585 0 40 DFAB c1cncc(NC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cccnc2)c1 96082599 RGCYLAWTYADCOF-JCGIZDLHSA-N 310.401 2.573 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 97231355 CSHSIVPDIHBJRS-URLQWDBASA-N 313.397 2.604 0 40 DFAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)o3)O2)n1 96057354 WZZVGVOGLOLPRV-KFWWJZLASA-N 303.362 2.774 0 40 DFAB CC1(C)CC(=O)N(CC(=O)Nc2nccs2)c2ccccc21 96183219 YDCZZHQCQPHWGQ-UHFFFAOYSA-N 315.398 2.796 0 40 DFAB CO[C@@H]1CCCCC[C@@H]1NC(=O)N(CC(C)(C)O)C(C)C 96483817 UQUUEGJZXMMBOR-UONOGXRCSA-N 300.443 2.525 0 40 DFAB Cc1cc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)no1 96193003 AJSZEVXODQKEKS-OAHLLOKOSA-N 303.293 2.644 0 40 DFAB CC(C)Cc1cc(-c2nnc3sc(C4CC4)nn23)n(C)n1 95478181 LISPZCDBLMYRQU-UHFFFAOYSA-N 302.407 2.662 0 40 DFAB O=C(NC1CCOCC1)c1ccc(Cc2cccc(F)c2)nc1 257267058 MFUGGDYKNFYYTO-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(OCC)cc1 257331909 XUUFJTIRBMWXHR-WBVHZDCISA-N 318.417 2.521 0 40 DFAB COc1cc(NC(=O)c2oc(C3CC3)nc2C)ccc1C(=O)O 262850427 DCHPTEGLFULZJI-UHFFFAOYSA-N 316.313 2.820 0 40 DFAB CN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1434451313 BBCWSRZVWVQICP-UHFFFAOYSA-N 320.345 2.586 0 40 DFAB NC(=O)C[C@@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 93809323 BLHUPBZHHQIGND-AWEZNQCLSA-N 319.424 2.513 0 40 DFAB CC(C)(C)[C@@H](O)CNc1ccccc1S(=O)(=O)C(F)F 79002765 ZJXMTRWUNXEJRZ-NSHDSACASA-N 307.362 2.502 0 40 DFAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)C1CC1 13611044 LZUAACWSGCZPLW-UHFFFAOYSA-N 310.357 2.935 0 40 DFAB CC[C@H](C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O 13698517 WBMVRZHSPIPJHV-LBPRGKRZSA-N 319.430 2.667 0 40 DFAB CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC 13992495 XTSXUMNGYZAGHS-UHFFFAOYSA-N 304.419 2.900 0 40 DFAB O=c1cc([C@H]2CCCCN2CC2CC2)nc(-c2ccncc2)[nH]1 19405827 JBRRQUSJVVJKQH-MRXNPFEDSA-N 310.401 2.769 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1cccc(CCCO)c1 157581552 YSRORPCKMBUCNV-ZNMIVQPWSA-N 304.434 2.811 0 40 DFAB Cc1cc(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c(C)o1 390828767 UEBLDSATMDZPKM-AWEZNQCLSA-N 303.362 2.914 0 40 DFAB CCCCn1nnnc1CSc1nc(-c2ccccc2)n[nH]1 6845872 RCUICOXUIXLZQD-UHFFFAOYSA-N 315.406 2.551 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 12900880 PTWPKXYGRMPQOL-VXGBXAGGSA-N 306.362 2.504 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(Cc1ccc(F)c(F)c1)C2 1204224695 RDYNVFCYBJJYSH-DLBZAZTESA-N 311.372 2.982 0 40 DFAB CC[C@@H](C(=O)N1CCCN([C@H]2CCOC2)CC1)c1ccccc1 1565522458 QNHTZSQEZHWJRU-ZWKOTPCHSA-N 316.445 2.503 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc2sccn2c1=O 6480343 MLIHJVATAKXUOJ-UHFFFAOYSA-N 323.736 2.801 0 40 DFAB CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 8884921 NNOPQDQTCHRKKW-QFIPXVFZSA-N 317.414 2.682 0 40 DFAB O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CCN(CC1CC1)C2 108536626 AQOWBEHWOXOZHV-ZBFHGGJFSA-N 312.404 2.803 0 40 DFAB Cc1cc(O[C@H]2CCN(C(=O)Nc3cccs3)C2)nc(C)n1 585147410 MLXQISYGIOSIEY-LBPRGKRZSA-N 318.402 2.840 0 40 DFAB O=C(COc1ccc2ccccc2c1)NC[C@@]1(O)C=CCCC1 606440481 YLUATRUGUYJXFG-LJQANCHMSA-N 311.381 2.806 0 40 DFAB CC(=O)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 1621158 CKVAALAFCQXIGK-PTNGSMBKSA-N 307.305 2.956 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1Cc2ccccc2S1 10432497 ISARQBUUDOHWKT-MRXNPFEDSA-N 323.421 2.939 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)c1 20022133 YPQJOKNONOTUKG-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB Cc1cc(=O)n2nc(SCc3ccc(Cl)cc3)nc2[nH]1 100133772 SLZAEQKODIKXMS-UHFFFAOYSA-N 306.778 2.672 0 40 DFAB O=c1c2ccsc2ncn1C[C@H](O)c1ccc(Cl)cc1 40489991 OLZNVXUXFGKJON-LBPRGKRZSA-N 306.774 2.845 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32741790 SWNJRNPQPAOQMD-BXKDBHETSA-N 317.366 2.979 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1cccs1 29709970 ZLOQLDUHWBWDSA-GFCCVEGCSA-N 310.419 2.764 0 40 DFAB O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccco1 78023559 GFTDRSNVKADDAU-UHFFFAOYSA-N 319.382 2.849 0 40 DFAB CCc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)n(C)n1 78988518 KSGYXZJVWZTELI-GOEBONIOSA-N 314.389 2.634 0 40 DFAB CCNC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3500407 DGEULGACIICKIK-UHFFFAOYSA-N 324.431 2.519 0 40 DFAB Cc1cccc2nc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cn12 60683629 PNLNMTRRJLMBEG-UHFFFAOYSA-N 323.352 2.644 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCOc1cccc(Cl)c1 102697955 JRAWZBPHJCKEKT-KBPBESRZSA-N 305.761 2.670 0 40 DFAB CN(C)c1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 2709873 MFXBMXKRZBJOGR-IBGZPJMESA-N 324.380 2.863 0 40 DFAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCCCC2)o1 41637551 CLBOLNNGMOMBRV-GFCCVEGCSA-N 318.402 2.973 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1ccc(F)cc1-n1cnnn1 12388984 NOJASYACQXZNCH-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@H](C)Cn3ccnc3)cc2C1 42510740 QQRLSNAUIFSTAY-NWDGAFQWSA-N 303.431 2.888 0 40 DFAB C[C@H]1CCCN(CCNC(=O)N[C@H](C)c2ccc(F)cc2)C1 109039674 LQTRDEWMMVOIQA-UONOGXRCSA-N 307.413 2.918 0 40 DFAB Cc1noc(C2CCN(C(=O)CCc3ccsc3)CC2)n1 54665321 MRYPBAZTYYWMMC-UHFFFAOYSA-N 305.403 2.778 0 40 DFAB CCOC(=O)c1ccc(N(C)Cc2ccc3c(c2)OCO3)nc1 24054468 OIIIPYNWBWSGBS-UHFFFAOYSA-N 314.341 2.623 0 40 DFAB CCc1cnccc1C(=O)NC[C@](C)(O)c1ccccc1Cl 97143451 NVESFVJBOZGFSU-KRWDZBQOSA-N 318.804 2.935 0 40 DFAB COCCn1cc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cn1 107527988 LGPPJDBEISTSGG-NVXWUHKLSA-N 314.433 2.777 0 40 DFAB CC[C@@H]1CCCCN1C(=O)NS(=O)(=O)c1ccc(C)cc1 3257547 HFJSJZYFKPNXDU-CYBMUJFWSA-N 310.419 2.658 0 40 DFAB O=C(c1cccc(F)c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100746279 KGOWKMTYMXZBNS-CPUCHLNUSA-N 302.393 2.772 0 40 DFAB O=C(NC[C@H]1CCOC1)Nc1ccc2oc(C3CC3)nc2c1 44307956 MYRWKEIDBIQOBG-SNVBAGLBSA-N 301.346 2.863 0 40 DFAB Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 97142786 QXBQVIHCAZGKNA-HOCLYGCPSA-N 314.433 2.871 0 40 DFAB COc1cccc(CNc2nc3sccc3c(=O)n2C)c1 58165994 DKDVUGJEVJODRX-UHFFFAOYSA-N 301.371 2.616 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)nn1C(C)(C)C 58166921 FLSNHAFCDAAQQV-CYBMUJFWSA-N 318.465 2.728 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccncc1 58227106 KVOJXBCEHRCDCX-HNNXBMFYSA-N 310.357 2.717 0 40 DFAB C[C@@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)Cn1cccn1 58218088 SCFMWJMICICQSO-INIZCTEOSA-N 322.412 2.669 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)c1ccsc1 58202219 CGPWYZAGIFYRLJ-HNNXBMFYSA-N 314.414 2.657 0 40 DFAB CCN(CC)C(=O)C1CCN(C(=O)c2c(F)cccc2F)CC1 58930794 HFSYAICIPSJEBW-UHFFFAOYSA-N 324.371 2.685 0 40 DFAB C[C@H](c1nc(C2CC2)no1)n1nnc(-c2ccc(Cl)cc2)n1 48333561 YEQBZQJKWBSZNL-MRVPVSSYSA-N 316.752 2.863 0 40 DFAB Cc1nc2cc(NC(=O)CN3CCCCCCC3=O)ccc2o1 48365857 DQILOSPEFWMDLO-UHFFFAOYSA-N 315.373 2.867 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccccc2F)CC1 48366202 IBZBBSSZZACYEX-GFCCVEGCSA-N 316.380 2.969 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(-n3cccn3)c2)C[C@@H](C)O1 48554686 NBESXRFKHFIQQN-BETUJISGSA-N 300.362 2.513 0 40 DFAB O=C(c1ccc(Br)s1)N1CCO[C@H]2CCC[C@H]21 42291115 ZORXNJRKHGDUTI-BDAKNGLRSA-N 316.220 2.904 0 40 DFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccco3)c2)n1 49302995 BTTDGYFKVMWNIF-UHFFFAOYSA-N 309.325 2.845 0 40 DFAB O=C(CCN1CCC[C@@H]1CN1CCCCC1)Nc1ccccc1 69607836 ZDRSTGNXXFZVDW-GOSISDBHSA-N 315.461 2.966 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(O)c1 5076913 XVVPTYICPDMMLD-UHFFFAOYSA-N 315.325 2.586 0 40 DFAB C[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 13986441 VZSCEGKWYBXCLD-GFCCVEGCSA-N 300.383 2.529 0 40 DFAB Cc1oc(C)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1C 14241146 KGNDFXPYVDSVSB-UHFFFAOYSA-N 307.371 2.861 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)c2nn(C)cc2Br)[C@@H]1C 6522756 GHCBYNTZZOJEPD-KKZNHRDASA-N 314.227 2.737 0 40 DFAB COc1cccc2cc(C(=O)N3CCC[C@H](C)C3)c(=O)oc12 6561230 SNIJOKOCXPFSNI-NSHDSACASA-N 301.342 2.674 0 40 DFAB Cc1ccc(C)c(OCCSc2nc3c(N)ncnc3[nH]2)c1 4663507 LJQKNDVMNADBBH-UHFFFAOYSA-N 315.402 2.723 0 40 DFAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccco4)cnc32)cc1 6663085 JBEIBWLPCKYRFL-UHFFFAOYSA-N 306.325 2.532 0 40 DFAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC1CCCC1 5863522 GTJRHJPSSYHIAV-SNVBAGLBSA-N 320.418 2.615 0 40 DFAB NC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc1 5944370 FSNYOVOANMKWER-UHFFFAOYSA-N 324.262 2.843 0 40 DFAB CCCNS(=O)(=O)c1ccc(Br)cc1Cl 7376506 KUWWZXXLHAKRMN-UHFFFAOYSA-N 312.616 2.791 0 40 DFAB COC(=O)c1cc(CNC(=O)c2cccc(C)c2)ccc1OC 7737044 ATAXJPXBOCBNAI-UHFFFAOYSA-N 313.353 2.720 0 40 DFAB Cc1ccc(Nc2ncccc2S(=O)(=O)N2CCCC2)cc1 67245726 WDOXCMNAIVIXJX-UHFFFAOYSA-N 317.414 2.918 0 40 DFAB COc1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1 8075708 DSMMGYYAWUZURE-UHFFFAOYSA-N 302.374 2.840 0 40 DFAB O=c1cc(CNc2cc(CO)ccc2Cl)nc2sccn12 68923567 FTLNIOPSNHAOJV-UHFFFAOYSA-N 321.789 2.514 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 8219316 BRUNBKBMAWYXKS-HOCLYGCPSA-N 316.445 2.771 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 9452676 UNSYLYTXQUVSRG-CYBMUJFWSA-N 321.380 2.733 0 40 DFAB C[C@H]1C[C@H]1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496990 MWQWAUGKDXVILP-GXSJLCMTSA-N 301.312 2.721 0 40 DFAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCN1CCCC1=O 71897386 INGVWRQLQBZBHW-BBRMVZONSA-N 322.836 2.724 0 40 DFAB CN(Cc1ccc(F)cc1Cl)C(=O)COC[C@H]1CCCO1 71886020 DMWLPSCQKKNXHU-CYBMUJFWSA-N 315.772 2.633 0 40 DFAB Cn1ncc(Cl)c1-c1nn2c(-c3cccs3)nnc2s1 72404287 XJXYQTCKYYWUMW-UHFFFAOYSA-N 322.806 2.968 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N)s2)cc1F 9867151 CRDHXFPALVVJLO-ZETCQYMHSA-N 312.395 2.687 0 40 DFAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(Cl)cc1)CC2 95393652 WWYIZZNJTPFQRW-CYBMUJFWSA-N 318.808 2.800 0 40 DFAB CCc1cc(=O)c2cc(NC(=O)NCc3cccnc3)ccc2[nH]1 97049364 CSQQRHDHCSYYRV-UHFFFAOYSA-N 322.368 2.807 0 40 DFAB COCc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1 84637084 BRBFKYQGHYVANI-SWLSCSKDSA-N 303.358 2.668 0 40 DFAB Cc1nc([C@H](C)NC(=O)NCCc2cccc(O)c2)cs1 72271584 BDXDSEHCYRQOAJ-JTQLQIEISA-N 305.403 2.760 0 40 DFAB CS(=O)(=O)c1ccsc1NC(=O)/C=C/c1ccccc1 72288251 DWUSZPSGNIFMRR-BQYQJAHWSA-N 307.396 2.804 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 72234480 XQRYFXYUUXSVKO-IRXDYDNUSA-N 316.445 2.631 0 40 DFAB CO[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 95447519 NZEHFJMZJUVURK-CYBMUJFWSA-N 312.369 2.590 0 40 DFAB C[C@H](NC(=O)c1ccn2ccnc2c1)[C@@H]1COc2ccccc21 95438409 PIVOGWKQDIHQEM-WFASDCNBSA-N 307.353 2.629 0 40 DFAB Cc1cccc(NC(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)c1 95452927 MVOFXONZXXKTJW-LBPRGKRZSA-N 323.393 2.961 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccncc1 95400991 QRZFFBGSBKPXOK-JONQDZQNSA-N 317.433 2.891 0 40 DFAB COCC1(C)CCN(C(=O)[C@@H](C)Cc2c(C)noc2C)CC1 95459621 DSEJJCKCCLYFJX-LBPRGKRZSA-N 308.422 2.745 0 40 DFAB C[C@@H](NC(=O)CSC(C)(C)C)c1ccc(-n2ccnn2)cc1 95440411 JBXUFVLKVZDOTQ-GFCCVEGCSA-N 318.446 2.976 0 40 DFAB CCc1cnc(CN2CCN(CC(F)(F)F)CC2(C)C)o1 95986111 YVCNGAXCDJXGCQ-UHFFFAOYSA-N 305.344 2.696 0 40 DFAB Cc1noc(C)c1CNC(=O)N(C)CCOc1ccccc1 95955199 ATLWBBYHFYXEND-UHFFFAOYSA-N 303.362 2.512 0 40 DFAB Cc1cc(C(=O)NC[C@@H](C)CCO)nn1-c1ccccc1Cl 95989161 HILIIGINARVCLL-NSHDSACASA-N 321.808 2.582 0 40 DFAB Cc1ccnc([C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C2CC2)n1 95986971 VJAHMECSSMVFRK-DLBZAZTESA-N 323.396 2.666 0 40 DFAB CCc1nsc(NCc2cccc(N3CCCC3=O)c2)n1 95964114 IDSHMDISQGVUDR-UHFFFAOYSA-N 302.403 2.839 0 40 DFAB Cc1ccc(C(=O)OCCCc2nc3ncccn3n2)c(C)c1 89612095 RDRLYMUXAPITBL-UHFFFAOYSA-N 310.357 2.531 0 40 DFAB COc1ccc([C@@H]2C[C@@]23C(=O)Nc2ccc(C(=O)O)cc23)cc1 217475977 LDAPUXLKXOPVGQ-KSSFIOAISA-N 309.321 2.771 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cccnc2N(C)C)sc1C 120989455 IDGFYDARAPILOM-UHFFFAOYSA-N 311.432 2.627 0 40 DFAB CCOCCCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79360966 ZRQPJKBOYFBKQU-HXUWFJFHSA-N 317.838 2.974 0 40 DFAB COc1ccc(-c2cc(CC3(NCC(C)C)COC3)no2)cc1 72321956 BXYCBWHBSUOWGE-UHFFFAOYSA-N 316.401 2.907 0 40 DFAB biogenic,in-vitro CC[C@H](CSC)N(C)C(=O)C(=O)Nc1c(F)cccc1F 125655032 WDMDRFDJJFAXAB-SECBINFHSA-N 316.373 2.503 0 40 DFAB O=C(OCCN1C(=O)NCc2ccccc21)c1cccs1 78665171 OVCBCYXYIJDHPA-UHFFFAOYSA-N 302.355 2.635 0 40 DFAB CCOC(=O)c1c[nH]c(SCC(=O)c2ccc(C)cc2)n1 73647977 OBTPWOXMSWBTBD-UHFFFAOYSA-N 304.371 2.870 0 40 DFAB C[C@H](C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)n1cncn1 79040501 KVWGHGJHCFSPOK-OIISXLGYSA-N 312.417 2.757 0 40 DFAB CC1CCN(C(=O)c2cc([C@H]3CCCN(C)C3)ccn2)CC1 72387017 GJZVBACVMIRXGU-INIZCTEOSA-N 301.434 2.763 0 40 DFAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cccnc1 45889943 FFZSXGUVYFNXLR-UHFFFAOYSA-N 313.386 2.846 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)OCc1ccccc1 191159211 VHDFXELMYPIFIJ-GOEBONIOSA-N 318.417 2.950 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)cc1F 530070705 GGNMCEWXIBCPEF-CQSZACIVSA-N 301.321 2.607 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)c2ncc(F)cc2F)o1 192332139 RNJJRPNMMAAKDL-ZDUSSCGKSA-N 322.311 2.729 0 40 DFAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(C)=O 222901154 CNYZPWDXANIXLU-CYBMUJFWSA-N 308.397 2.869 0 40 DFAB COc1ccc(-n2cnc(C(=O)Nc3nccs3)c2)cc1 226753511 JIHBRVVCFQZBMQ-UHFFFAOYSA-N 300.343 2.590 0 40 DFAB CCOc1cccc(NC(=S)NCCCn2ccnc2)c1 225521333 AMSNPKBFJPFJED-UHFFFAOYSA-N 304.419 2.659 0 40 DFAB CCOCCCNC(=S)Nc1cc(C(=O)OCC)ccc1C 225370634 BCQGXZFGXMNVBX-UHFFFAOYSA-N 324.446 2.885 0 40 DFAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C=C2CCC(C)CC2)n1 583621375 YKJRMLIKLNRSFB-KMQIDDJNSA-N 319.405 2.803 0 40 DFAB C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1F 195542653 JUJOBZOKIPCSIG-WBMJQRKESA-N 315.344 2.741 0 40 DFAB C[C@H](NCC(C)(C)N1CCOCC1)c1ccc2ccccc2n1 96476351 OUWKKVXANUQLAE-HNNXBMFYSA-N 313.445 2.996 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)c2ccc(C)[nH]c2=O)cc1 96423363 JBLXORHWKMODOF-GFCCVEGCSA-N 314.385 2.616 0 40 DFAB CN(Cc1ccco1)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 96185968 ZKLGADGHZQLUGF-KURKYZTESA-N 316.401 2.736 0 40 DFAB FC(F)(F)[C@@H]1CCC[C@@H](NC[C@H]2COC3(CCOCC3)O2)C1 249086192 BTAOOGGRDJMXNW-UPJWGTAASA-N 323.355 2.619 0 40 DFAB c1cnc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cn1 257309213 TZZGWTWLZJWKFX-OAHLLOKOSA-N 311.385 2.627 0 40 DFAB c1ccc2c3c([nH]c2c1)C12CCN(CC1)[C@@H]([C@H]1CCOC1)N2CC3 257212416 CDHVULDMLOAIPM-IFXJQAMLSA-N 323.440 2.693 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@H]2CCc2ccncc2)c(C)n1 257290157 QBUWGTBENUJMPF-INIZCTEOSA-N 310.401 2.726 0 40 DFAB Cc1nc(C(=O)N2CCCC[C@@H]2C)cc(C2CCN(C)CC2)n1 257280153 OJRXKGAILUOOIP-ZDUSSCGKSA-N 316.449 2.609 0 40 DFAB O=C(CN1CCCCCC1)N1CCC(Cc2ccncc2)CC1 257343050 ZRGMLPUGADJBCI-UHFFFAOYSA-N 315.461 2.739 0 40 DFAB Cc1cc2cncn2c([C@H]2CCCCN2C(=O)c2cccnc2)n1 257224392 FBQPBNJIMDDVFH-MRXNPFEDSA-N 321.384 2.800 0 40 DFAB CS[C@@H]1CC[C@H](N[C@H](C)Cn2cc(Br)cn2)C1 253369854 IXENSIIMONDZFF-ADEWGFFLSA-N 318.284 2.908 0 40 DFAB O=C(c1cnco1)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257273375 NGHLEBLQIVPMED-SCRDCRAPSA-N 316.332 2.743 0 40 DFAB COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 265619218 NCXFNSYMQVPQLC-GVXVVHGQSA-N 305.374 2.631 0 40 DFAB CCN1C(=O)CC[C@]12CCCN(Cc1cnc(C)s1)CC2 585099946 ASZDDPNIKLONFF-INIZCTEOSA-N 307.463 2.819 0 40 DFAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12 52757014 ZJUDIYVGXSULDW-JTQLQIEISA-N 300.749 2.874 0 40 DFAB CC(=O)Nc1nc(C(=O)N(Cc2ccc(C)o2)C2CC2)cs1 53989833 BQUVCEVZEQPKML-UHFFFAOYSA-N 319.386 2.808 0 40 DFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CC=CCC1 57348391 DECRQBPZUNZDKG-HNNXBMFYSA-N 318.392 2.647 0 40 DFAB Cc1nn2c(NCCCO)c3c(nc2c1-c1ccccc1)CCC3 72341733 BEVFSKVVWQDHLA-UHFFFAOYSA-N 322.412 2.988 0 40 DFAB CS(=O)(=O)CC1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 130131756 JYZQPKJPINMUHE-WDEREUQCSA-N 313.385 2.522 0 40 DFAB Cc1cc(C)nc(NC(=O)NCc2nccn2CC(C)C)c1 97378605 VGWHLMKMDLUNIK-UHFFFAOYSA-N 301.394 2.873 0 40 DFAB Cc1nc2ccc(C(=O)NC[C@H]3CCCN(C(C)C)C3)cc2[nH]1 12147303 FIHJFDPAKAFQGP-CQSZACIVSA-N 314.433 2.722 0 40 DFAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc2nccnc2c1 12420818 RQCXTKJTKXJJCA-MRXNPFEDSA-N 306.325 2.920 0 40 DFAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc1cccc(OC)c1 12650179 BMUPTTCIMBBUQJ-ZDUSSCGKSA-N 323.389 2.552 0 40 DFAB CCn1cc(CNS(=O)(=O)c2ccc(C(C)C)cc2)cn1 14249493 WFUCIIOSIBIOBH-UHFFFAOYSA-N 307.419 2.505 0 40 DFAB Cn1cc(-c2cc(-c3cnn(C)c3)n(-c3ccc(F)cc3)n2)cn1 17055985 NMAAFBKUUBRECL-UHFFFAOYSA-N 322.347 2.812 0 40 DFAB Cc1cc(=O)cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)[nH]1 19570274 NRMCJJRHVMFFMB-AWEZNQCLSA-N 314.360 2.842 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2sccc2C)CC1 153204949 QFCWNFQDJGBKBQ-UHFFFAOYSA-N 324.490 2.811 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O 209128606 XMXNXNWGJOGADU-OWQKPFLESA-N 317.366 2.842 0 40 DFAB CS(=O)(=O)c1cccc2sc(N3C[C@H]4CCC[C@@H]4C3)nc12 1888846825 XQDHHGDXKYACSD-GHMZBOCLSA-N 322.455 2.936 0 40 DFAB CC[C@@H]1CO[C@@]2(CCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1565552049 ZMOKGHJKZGTBLN-UGSOOPFHSA-N 319.401 2.735 0 40 DFAB COC(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 32269234 LMIJOJIBBVUFFP-UHFFFAOYSA-N 302.170 2.785 0 40 DFAB COc1cccc([C@@H](CNc2cncc(Cl)n2)N(C)C)c1 50107445 DXEGVEYILIHHIB-CYBMUJFWSA-N 306.797 2.853 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccccn1 40467546 TVIAXUZNERKACL-GOSISDBHSA-N 321.380 2.662 0 40 DFAB Cc1nc2ccccc2n1[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 144574 LXJOKXIOUFUPJT-INIZCTEOSA-N 323.327 2.988 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 40539227 QASPYTUZWCLVKJ-LLVKDONJSA-N 310.781 2.691 0 40 DFAB Cc1c(C)c2ccc(O)c(I)c2oc1=O 269603 IPDRBPJLAWTXCP-UHFFFAOYSA-N 316.094 2.720 0 40 DFAB O=C(Cc1cnc(-n2cccc2)s1)NC1Cc2ccccc2C1 20714380 KFXZAUVYJHWUPJ-UHFFFAOYSA-N 323.421 2.760 0 40 DFAB Fc1cccc(CN2CCC(CN3CCOCC3)CC2)c1F 51956749 OPKOYAGUGQJOFO-UHFFFAOYSA-N 310.388 2.509 0 40 DFAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 60379280 BKDVOPZDTSUWOU-AWEZNQCLSA-N 321.789 2.764 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ccco2)[C@@H](c2ccccc2)CO1 76066727 QROGHAWMFVUNPB-CZUORRHYSA-N 300.358 2.951 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1ccsc1 76042822 CBTHIQGCKUZDIR-HOCLYGCPSA-N 305.447 2.966 0 40 DFAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)ccc1=O 12062862 LTMFPRQSJYKCCN-UHFFFAOYSA-N 309.300 2.624 0 40 DFAB CCOC(=O)NCC(CC)(CNC(=O)OCC)c1ccccc1 1751924 XRYZGBHWIQYFQH-UHFFFAOYSA-N 322.405 2.827 0 40 DFAB CC[C@@H](CO)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 78571435 QDAAYXIHQJOSSM-VIFPVBQESA-N 312.295 2.740 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2ncccc2c1 78897830 CJPPNWVDHOZSRH-RDTXWAMCSA-N 323.440 2.971 0 40 DFAB COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1 2018339 GDYUVHBMFVMBAF-LIRRHRJNSA-N 313.397 2.980 0 40 DFAB in-man C[C@H](C(=O)NC1CCCCC1)N1CCC(OCC2CC2)CC1 78950618 AJIPRZVLYUJXJR-CQSZACIVSA-N 308.466 2.715 0 40 DFAB Cc1nn(C)c(C)c1OCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 79101829 DAXYRZLVOVHTCZ-DFBGVHRSSA-N 305.422 2.595 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCc1cnn(C)c1 79585842 WPKVCDYUAMFFGD-KPZWWZAWSA-N 315.392 2.932 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccccc2)C(C)C)C1 32914609 WXKLEHIBMNAJTE-MSOLQXFVSA-N 316.445 2.801 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccccc2C)C1 7529350 OWENGLOUDHECBO-CYBMUJFWSA-N 306.431 2.967 0 40 DFAB CCCCn1c(CCNC(=O)CC[C@@H](C)O)nc2ccccc21 7546404 YJKZOQKKGLSZQF-CQSZACIVSA-N 317.433 2.656 0 40 DFAB Cc1nc(C[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)no1 103044238 LFCOZPXCOSQWGY-CYBMUJFWSA-N 324.384 2.954 0 40 DFAB Cc1cccc(C2(C(=O)NCc3ccc(N(C)C)nc3)CC2)c1 53024805 OLVQPOUCXCTODR-UHFFFAOYSA-N 309.413 2.804 0 40 DFAB Nc1nc(Cl)cc(NCCN2CCCc3ccccc32)n1 53575427 KTKBHVOKWXMWKU-UHFFFAOYSA-N 303.797 2.577 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3CC3)CC2)C1(C)C 42003777 LNAPCWVNPBCIBH-HZPDHXFCSA-N 318.461 2.742 0 40 DFAB O=C(Nc1ccc2c(c1)OCCCO2)c1cn2ccccc2n1 42048805 LGNBQLQOHNSWAQ-UHFFFAOYSA-N 309.325 2.748 0 40 DFAB CCN(CCNC(=O)c1c(C)nn(C)c1C)c1ccccc1C 46992516 CPFAJMUMWIPWNS-UHFFFAOYSA-N 314.433 2.602 0 40 DFAB O=C(C[C@@H]1CCCO1)NCCc1ccccc1Br 61263032 UDCPIYUPLJAYKV-LBPRGKRZSA-N 312.207 2.677 0 40 DFAB COc1ccccc1[C@H]1C[C@H](c2cccnc2)Nc2ncnn21 2919233 FPDIORODUOBYBN-HUUCEWRRSA-N 307.357 2.828 0 40 DFAB C[C@H](NCc1cccc2c1OCO2)c1nnc2n1CCCCC2 42800877 JNJSDMPMVBMOGE-LBPRGKRZSA-N 314.389 2.584 0 40 DFAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc2cc[nH]c2c1 61719517 BNQLCLDLASKFQT-UHFFFAOYSA-N 321.336 2.532 0 40 DFAB COc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1 106779006 BZFBDMYYOCFZAQ-ZWKOTPCHSA-N 316.445 2.713 0 40 DFAB CCOc1cc2c(cc1CNC(=O)CCSC)O[C@@H](C)C2 25395343 LTNJNSPGOCIWJS-NSHDSACASA-N 309.431 2.778 0 40 DFAB COCc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 25330750 PLDXAJDUAPIOAZ-MRXNPFEDSA-N 318.442 2.927 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1 56084825 WUDUUDMVACCXTJ-FNORWQNLSA-N 312.304 2.960 0 40 DFAB CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)O)cc1 35098539 RCNODVTWXOKRAV-UHFFFAOYSA-N 308.380 2.940 0 40 DFAB COc1ccc(C)cc1C1(CNc2ncccn2)CCOCC1 57149847 QFACLYLDGVOYPN-UHFFFAOYSA-N 313.401 2.954 0 40 DFAB Cc1cc(OS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 1773973 PIXCEFFNBUAUNP-UHFFFAOYSA-N 314.366 2.948 0 40 DFAB COc1ccccc1C(=O)COC(=O)Cc1ccccc1F 3245437 DIJQVMKYGVSZIB-UHFFFAOYSA-N 302.301 2.803 0 40 DFAB COc1ccccc1-c1cc(NC(=O)[C@H](C)OCC2CC2)[nH]n1 58294531 TZTANDSPQWKWDG-NSHDSACASA-N 315.373 2.839 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1 36108870 MSOSYICMXZGZTG-KRWDZBQOSA-N 314.429 2.874 0 40 DFAB CCONC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 44966951 NLZZJRNWGWXJDQ-LLVKDONJSA-N 305.403 2.580 0 40 DFAB c1cc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)cs1 44975575 QNHDBFZXKVYGRN-STQMWFEESA-N 305.403 2.942 0 40 DFAB CCS(=O)(=O)Nc1ccccc1C(=O)N1CCCCCCC1 58407251 PVWCJAQDPWDGIJ-UHFFFAOYSA-N 324.446 2.855 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)Cc1ccsc1)CC2 3333840 YFCRSGPZBWQOAT-UHFFFAOYSA-N 317.410 2.893 0 40 DFAB O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccccc2)co1 36356888 XGPGWZLFUDAJML-UHFFFAOYSA-N 322.320 2.866 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCOc1ccccc1F 12773311 GXMKXPQWGHDIKV-HOCLYGCPSA-N 322.424 2.831 0 40 DFAB O=C(O)c1ccccc1OS(=O)(=O)c1ccc(Cl)s1 12798503 WJEBOWBOMYYUSI-UHFFFAOYSA-N 318.759 2.867 0 40 DFAB CCc1noc([C@H](C)N(C)CC(=O)Nc2cccc(C)c2C)n1 12987660 OOAXZMSIFNISPM-ZDUSSCGKSA-N 316.405 2.880 0 40 DFAB COc1ccc(CN(C)C(=O)c2cc(C)ccc2O)c(OC)c1 13008043 JZMZKDLBCFFYCV-UHFFFAOYSA-N 315.369 2.990 0 40 DFAB Cc1ccc2[nH]c(CSc3nnc(C)n3C)cc(=O)c2c1 21943528 KWJNZLGWAGKJHO-UHFFFAOYSA-N 300.387 2.566 0 40 DFAB CC(C)C[C@H](CO)NC(=O)Nc1cccc(NC(=O)C(C)C)c1 69629700 LEKCYQMXWYLXPV-OAHLLOKOSA-N 321.421 2.810 0 40 DFAB CC(C)Oc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 69630812 AXAANZJKHDCXRV-QGZVFWFLSA-N 314.433 2.978 0 40 DFAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1 4368803 MZUYLNJPQURQBG-OAHLLOKOSA-N 312.373 2.910 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N/Cc3ccccc3)oc12 5234977 OKVWRLONGBYCRL-ZZEZOPTASA-N 308.337 2.641 0 40 DFAB COC(=O)c1ccc(COC(=O)c2cc3c(s2)CCC3)o1 4462324 OVBDWZQVVBGDJS-UHFFFAOYSA-N 306.339 2.973 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)c(C)c1 4825941 QAQBKXJVRBQIRQ-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(OC)nc2)c1 7275079 NUMUFQSZEGXEBO-XBXARRHUSA-N 314.341 2.759 0 40 DFAB C[C@@H](OC(=O)C1CC1)C(=O)Nc1ccccc1C(F)(F)F 7303709 IRDQZXYNJAQJOW-MRVPVSSYSA-N 301.264 2.986 0 40 DFAB COc1ccc(C)cc1CCNC(=O)c1cc(C(C)=O)c[nH]1 7449797 CCGRZXQITTWPEN-UHFFFAOYSA-N 300.358 2.507 0 40 DFAB C/C=C/C=C/C(=O)N(CC)CC(=O)Nc1ccc(OC)cc1 29241950 RYOVPRWUJXZDEJ-GFGVWQOPSA-N 302.374 2.615 0 40 DFAB Cc1cc(Br)oc1C(=O)N1CCOCC1(C)C 71821869 WDCGNNMIBIULCD-UHFFFAOYSA-N 302.168 2.602 0 40 DFAB C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 71857435 FKSMAAIZAVYMJK-CXAGYDPISA-N 312.413 2.613 0 40 DFAB Cc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)[nH]n2)s1 71858802 VTSULQHZRFMXMW-JTQLQIEISA-N 301.375 2.843 0 40 DFAB Cc1cc(C)n(-c2cncc(N(C)Cc3cnc(C)s3)n2)n1 71924483 LPWCEDAJIPTKTJ-UHFFFAOYSA-N 314.418 2.680 0 40 DFAB Cc1cc(F)ccc1CCNC(=O)NCc1cccc(CO)c1 87155739 MRDGPHRPRDKROO-UHFFFAOYSA-N 316.376 2.668 0 40 DFAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 95395893 BFDNJKNDFGFDOL-NEPJUHHUSA-N 317.393 2.697 0 40 DFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1C=CCCC1 95394180 MFAWTQTZXJNBLT-INIZCTEOSA-N 315.417 2.545 0 40 DFAB CCc1nc([C@H]2CCCN2CCC(=O)NC2CCCCC2)no1 72271013 SSXHWKHIZRWSKM-CQSZACIVSA-N 320.437 2.608 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 119824949 QRIRDRZDUGFNOE-OLZOCXBDSA-N 307.394 2.580 0 40 DFAB COc1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 95421292 FQTMDUDOLUSRFJ-DGCLKSJQSA-N 302.340 2.982 0 40 DFAB O=C1COc2cc(C(=O)NCCC3=CCCCC3)ccc2N1 22651994 XGTIZCSUHQNJBK-UHFFFAOYSA-N 300.358 2.638 0 40 DFAB COCCn1cc(NCc2cn(-c3ccccc3)nc2C)cn1 95427569 STJMXMZTTSJTQW-UHFFFAOYSA-N 311.389 2.636 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)COc2ccccc2)cc1F 95439066 OTMYMTLWIDXGNH-ZDUSSCGKSA-N 304.317 2.847 0 40 DFAB O=c1n(Cc2nc(C3CCCC3)cs2)nc2ccccn12 95962218 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CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C=O 72214485 XAZFLBLRXSRNCM-ZDUSSCGKSA-N 305.378 2.746 0 40 DFAB O=C(CSCc1ccc(Cl)cc1F)N1CCOCC1 187958941 PPXOVWGQFAWAPY-UHFFFAOYSA-N 303.786 2.571 0 40 DFAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44948842 QOQYDVZLMIMIFK-CYBMUJFWSA-N 324.446 2.589 0 40 DFAB CCc1noc([C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 41122333 UPZMQBUXRRAKBJ-GFCCVEGCSA-N 303.362 2.862 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)COc1cnn(CC)c1 193556487 IGRHAMQRLXOOSM-AWEZNQCLSA-N 319.430 2.879 0 40 DFAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CC 225451935 JLSCBNXIBVMBOS-INIZCTEOSA-N 304.434 2.773 0 40 DFAB CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(C)cc1O2 225816441 AMDXYSFHZJGUHO-UHFFFAOYSA-N 303.358 2.951 0 40 DFAB CCC[C@@H](C)C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 195556358 HTYXCRXNMMSIDF-JXFSHQFZSA-N 313.463 2.790 0 40 DFAB CCOC(=O)c1nn(-c2nc(C)c(Cl)cc2Cl)nc1C 89262166 XCSOUACWRNOFGU-UHFFFAOYSA-N 315.160 2.763 0 40 DFAB CCO[C@@H](CNC(=O)NCc1cccc(O)c1)c1ccccc1 193477886 OKFXRLFXXBKKDK-KRWDZBQOSA-N 314.385 2.969 0 40 DFAB O=C1C[C@@]2(CCCCN2C(=O)c2cccs2)CN1CC1CC1 96217363 HWYFLILGSMLZTP-KRWDZBQOSA-N 318.442 2.755 0 40 DFAB CC1=CCC[C@H](C)[C@@H]1CN1CCN(CCN2CCCC2)CC1 97109392 XRZSXCOXCFAURY-RBUKOAKNSA-N 305.510 2.692 0 40 DFAB CCOCc1cncc2c1CCN(C(=O)Cc1ccsc1)C2 96189320 UAGIYEUDKXVTPX-UHFFFAOYSA-N 316.426 2.807 0 40 DFAB Cc1nc(Cn2nc(-c3cccs3)n(C3CC3)c2=O)cs1 90591239 ZCBPAVNPJNAOSI-UHFFFAOYSA-N 318.427 2.921 0 40 DFAB O=C(OCCn1cncn1)[C@H]1C[C@@H]1c1cccc2ccccc12 96404839 RGTKRQSMIBXIOP-SJORKVTESA-N 307.353 2.778 0 40 DFAB O=C(NCC1(CO)CC1)N[C@H](c1ccc(F)cc1)C1CCC1 96447342 BHYBMBSLGYQLDP-HNNXBMFYSA-N 306.381 2.739 0 40 DFAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 245239508 JVEWXTLFKFWQPU-CNGZKZFVSA-N 306.446 2.930 0 40 DFAB Cc1noc(C)c1-c1cccc(C(=O)NCc2cccnc2)n1 257203479 AQGDRBKIPPVTCX-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C 257221202 DNYGKZSVGWECNS-OAHLLOKOSA-N 315.421 2.744 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1F 252508101 XCVOVEIAPMCYGZ-UHFFFAOYSA-N 315.345 2.599 0 40 DFAB CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257297868 RJCQXGLCRQDDSL-SCNOPHJPSA-N 316.449 2.551 0 40 DFAB O=C(NC1CCN(c2ncc(Cl)cc2F)CC1)C1CCC1 79298603 JEARVMILVFQFRN-UHFFFAOYSA-N 311.788 2.759 0 40 DFAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1ccsc1 390826324 IDBRBZWPIOGWMQ-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)o1 585102855 KVIYAGHNDVJQQB-MRXNPFEDSA-N 305.418 2.996 0 40 DFAB C[C@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)C[C@@H](C)O1 50535429 CUPMRZICRPADKZ-TXEJJXNPSA-N 319.792 2.775 0 40 DFAB Cc1ccccc1NC(=S)N1CCC(c2nncn2C)CC1 69464430 UAWDFFZMCYFJNB-UHFFFAOYSA-N 315.446 2.700 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 75157254 YNYYJXUEAOFELL-LBPRGKRZSA-N 307.337 2.549 0 40 DFAB O=C(Nc1ccccc1)N1CCCN([C@H]2CCSC2)CC1 1565521988 AEPQSMHDIWPJLR-HNNXBMFYSA-N 305.447 2.732 0 40 DFAB Fc1ccccc1COC1CCN(CCN2CCCC2)CC1 91867813 KGRGPVBCTQLFMF-UHFFFAOYSA-N 306.425 2.903 0 40 DFAB Cc1cc(N(C)CCO)n2nc(C)c(-c3cccs3)c2n1 12113338 CCEPTVOAIXNABQ-UHFFFAOYSA-N 302.403 2.503 0 40 DFAB CCCn1cc2c(C(F)F)cc(SCC(=O)O)nc2n1 12398883 WLLQOAMUMJCWOY-UHFFFAOYSA-N 301.318 2.956 0 40 DFAB CC[C@H]1Oc2ccccc2N(CC(=O)NC2CCCCC2)C1=O 15935660 ZJLHREWWBOYLIR-OAHLLOKOSA-N 316.401 2.640 0 40 DFAB CSc1nc(C)c(CCOCc2ccc(F)cc2)c(=O)[nH]1 18096277 BHHHTIOGWPVZAD-UHFFFAOYSA-N 308.378 2.699 0 40 DFAB c1ccc2[nH]c(CCCNC3CCC4(CC3)OCCO4)nc2c1 155327689 NQFURXKSIWGLKZ-UHFFFAOYSA-N 315.417 2.771 0 40 DFAB COCCCNC(=O)c1ccc(-c2ccc(Cl)cc2N)o1 226350057 GFWSSVRUYFEEHI-UHFFFAOYSA-N 308.765 2.949 0 40 DFAB Fc1ccc(OC[C@@H]2CCN(c3nc(C4CC4)ns3)C2)nc1 1889095436 CZIROCGHDIQJHI-SNVBAGLBSA-N 320.393 2.855 0 40 DFAB Fc1ccc([C@H]2CN(Cc3nnsc3Cl)CCO2)cc1 29657643 URISQIYRAQEZSU-GFCCVEGCSA-N 313.785 2.904 0 40 DFAB CCCCCNS(=O)(=O)CCCOc1ccc(F)cc1 12440807 ZAOFUWIKXKWPJS-UHFFFAOYSA-N 303.399 2.704 0 40 DFAB Clc1cnc(NC[C@H](c2ccsc2)N2CCOCC2)nc1 1775969637 DJBHEHSDXUGBOK-CYBMUJFWSA-N 324.837 2.677 0 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311.376 2.889 0 40 DFAB COc1cccc(Cn2cnc3nc(SC)sc3c2=O)c1 77244472 DJHKTUGBKPSWEQ-UHFFFAOYSA-N 319.411 2.632 0 40 DFAB CC[C@@H](CNC(=O)N1CCC(OC)CC1)Oc1ccccc1F 79014613 LODUXGIDRLNMEC-ZDUSSCGKSA-N 324.396 2.804 0 40 DFAB Cc1cc2ncc(C(=O)N[C@H]3CCOc4ccccc43)c(C)n2n1 32900413 FKVVXAGREYEUGB-HNNXBMFYSA-N 322.368 2.600 0 40 DFAB CCN(CC)c1ccc(NC(=O)c2cc3ncccn3n2)cc1 2788253 JOJNVIIKPKNSKO-UHFFFAOYSA-N 309.373 2.828 0 40 DFAB C1=C2CN3CC[C@]45c6ccccc6N6CC[C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@@H]35 103845232 AGRTUYYPROFOFX-RNEOQEHVSA-N 320.436 2.566 0 40 DFAB O=C(C[C@H]1CCCN1C(=O)c1ncccc1O)c1cccs1 97141380 MGHAXDFHFVAIJJ-LLVKDONJSA-N 316.382 2.726 0 40 DFAB COC(=O)c1cccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 9482621 GHPKEPVTBWMKNJ-IUODEOHRSA-N 305.374 2.547 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCOC2)n(-c2ccc(Cl)cc2)n1 69337160 CWDDBKSKAJUVQJ-NSHDSACASA-N 305.765 2.809 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)sc2cccc(F)c12 42478447 AKUSGTKZAVLGOF-LLVKDONJSA-N 320.389 2.747 0 40 DFAB COC(=O)c1ccoc1Cn1cnc2c(oc3ccccc32)c1=O 23461838 POIRYSKXPNVWOA-UHFFFAOYSA-N 324.292 2.571 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 1379390 TVEANTLESVHQJK-KRWDZBQOSA-N 323.396 2.999 0 40 DFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 37794967 AMRQBJHVVNWIGO-SWPVVBRQSA-N 301.264 2.603 0 40 DFAB COc1ccc(CNC2CCC(O)CC2)cc1Br 34991239 VIILDNQSWOHIRL-UHFFFAOYSA-N 314.223 2.851 0 40 DFAB O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccco1 107494205 SVLRHUKKPXQCIH-QZTJIDSGSA-N 324.424 2.948 0 40 DFAB CCc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)cc1 44203717 KUDAQEBLNJBVEI-UHFFFAOYSA-N 318.394 2.914 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccsc1)C1CC1 44446661 LFBGXCDFSHFEHO-UHFFFAOYSA-N 312.416 2.706 0 40 DFAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N[C@H](C)c1ccccc1 58018710 ALVWOONLIMKRNJ-NEPJUHHUSA-N 324.384 2.534 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)OCCn3cccn3)cc2)n1 58294147 DNNVCKOQXMFMLQ-UHFFFAOYSA-N 324.384 2.602 0 40 DFAB O=C(NCc1ccncc1)NCc1ncc(-c2ccccc2)o1 44946381 JWXSEDBMCVPHGE-UHFFFAOYSA-N 308.341 2.736 0 40 DFAB O=C(Cn1ccnc1)NCC(c1ccccc1)c1ccccc1 10809901 SJKJVJWAOYPJPN-UHFFFAOYSA-N 305.381 2.831 0 40 DFAB O=C(CN1CCCC[C@H]1C1OCCO1)Nc1ccccc1Cl 69454379 VXWQYDIOHSRYSQ-AWEZNQCLSA-N 324.808 2.506 0 40 DFAB COc1ccc(N2C(=O)C[C@@](C)(c3ccccc3)C2=O)cc1O 48311247 UOEFKLYJHPQHSR-SFHVURJKSA-N 311.337 2.622 0 40 DFAB CN(Cc1ccccc1)C(=O)COC(=O)c1c[nH]c2ccccc12 8429562 XGSREWZDYQWXJT-UHFFFAOYSA-N 322.364 2.983 0 40 DFAB Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1C 3607752 QOCITPJGPDQALU-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB CCOc1ccc2nc(NC(=O)Cn3cccn3)sc2c1 13011695 PGHRFQSEQNFNTQ-UHFFFAOYSA-N 302.359 2.530 0 40 DFAB COc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@H]2O)cc1 13121964 UKXRUPOIAKFFCM-AEFFLSMTSA-N 307.353 2.586 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4ccccc34)C2)n1 69698090 NYVWFOBCMFKKMB-OAHLLOKOSA-N 322.416 2.755 0 40 DFAB CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 4064468 QNULITMJWVFHNO-AWEZNQCLSA-N 320.414 2.611 0 40 DFAB Cn1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)cc1=O 69707725 OVFNHHBBMYYSBH-UHFFFAOYSA-N 311.316 2.567 0 40 DFAB Cc1csc([C@@H]2CN(Cc3nc(C(C)C)no3)CCO2)n1 65465972 VPPHGUIQFGTRBV-NSHDSACASA-N 308.407 2.531 0 40 DFAB Cc1[nH]c(SCC(=O)NC(C)C)nc1Cc1ccccc1 4492439 OLMLUEYBXLCBQI-UHFFFAOYSA-N 303.431 2.926 0 40 DFAB CCOc1ccccc1CNCCNC(=O)c1cccs1 4498115 UMTULFFQWPWBDL-UHFFFAOYSA-N 304.415 2.666 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC1(Cl)Cl 14018638 ZPJINLQHJOGELP-SECBINFHSA-N 317.172 2.786 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)Cn1c(C)nc2ccccc21 65568362 FRWKVOZIVNHJLR-UHFFFAOYSA-N 312.373 2.608 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H]1c1ccccc1 65586565 BDABUOGLHDKJQH-XIRDDKMYSA-N 303.402 2.934 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCC(=O)c1ccccc1 18193656 IHDBMEFMBPHXJA-UHFFFAOYSA-N 303.745 2.718 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 5666808 UNZBCAZNVFWMTG-NSHDSACASA-N 324.336 2.850 0 40 DFAB Fc1ccc2ncnc(Nc3cnn(C[C@H]4CCCO4)c3)c2c1 92612628 SLOBVSIOGKWQTH-CYBMUJFWSA-N 313.336 2.888 0 40 DFAB Cc1ncc([C@H](C)NCc2cccc(Cn3cncn3)c2)s1 90402336 ZWCOJVVUMIPHDU-LBPRGKRZSA-N 313.430 2.942 0 40 DFAB Cc1cccc(NC(=O)CSc2nnc(C)n2C2CC2)c1 7617241 ZKRQHIDOINNHBK-UHFFFAOYSA-N 302.403 2.961 0 40 DFAB Cc1nc([C@](C)(N)Cc2ccccc2)n(-c2ccncc2C)n1 71260725 ZUSWYCKNRKWWAF-GOSISDBHSA-N 307.401 2.696 0 40 DFAB CC(C)c1noc([C@H](C)N[C@H](C)c2nnc3ccccn23)n1 96013965 LROCDQKCJHVKPA-MNOVXSKESA-N 300.366 2.648 0 40 DFAB C[C@@H]1CCCN(C(=O)COC[C@H]2CCOC2)c2ccccc21 96013982 CQUWVWDYSYBOCF-CABCVRRESA-N 303.402 2.970 0 40 DFAB CC/C=C(\C)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 96314495 IBYZIUFAKJJFOO-AWNIVKPZSA-N 318.392 2.903 0 40 DFAB CCc1cccc2c1N(Cc1nc(CCOC)no1)CCC2 71907361 YJKDVBHUVBGZMD-UHFFFAOYSA-N 301.390 2.774 0 40 DFAB Cc1cc([C@H](NC(=O)[C@H](C)S(C)(=O)=O)C(C)C)c(C)s1 71903621 ZCIHQAXXFFCSSD-WCQYABFASA-N 317.476 2.611 0 40 DFAB CCCn1c(SCc2cccc(OC)c2)nc(O)cc1=O 9609280 SHNHGQHUDKDZDN-UHFFFAOYSA-N 306.387 2.660 0 40 DFAB CCSCCOC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 95395842 TXNKVXVLJJOEJY-ZBFHGGJFSA-N 321.442 2.892 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)c1ccccc1 84110151 MTWQJHFKQQSTLB-DOTOQJQBSA-N 313.401 2.812 0 40 DFAB O=C(c1ccc2[nH]ccc2c1)N1CCc2ccccc2[C@H]1CO 97097724 ZKSNWMHIASFOOP-GOSISDBHSA-N 306.365 2.900 0 40 DFAB Cn1ccc(NC(=O)Nc2nnc(CC3CCCC3)s2)n1 97099402 CLJMMTAUQVDXOI-UHFFFAOYSA-N 306.395 2.648 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1cc(Cl)cs1)C2 72290541 GTDXDWBWNUEPSD-GFCCVEGCSA-N 323.849 2.970 0 40 DFAB O=c1[nH]c(-c2cncc(Br)c2)nc2ccsc12 84618348 ZTVAKTXVCWWCDG-UHFFFAOYSA-N 308.160 2.809 0 40 DFAB CC[C@H](C(=O)NCCc1coc(-c2ccc(C)cc2)n1)N(C)C 84718732 NMIUNEJPMNVTQS-MRXNPFEDSA-N 315.417 2.649 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2nnc(-c3cccs3)[nH]2)n1 95425815 ZAYDCLKNTIHXND-QMMMGPOBSA-N 319.415 2.778 0 40 DFAB COc1ccc2nc(C3CC3)cc(C(=O)/N=c3/[nH]cc(C)[nH]3)c2c1 95434814 KDNIHZRAFVUBJS-UHFFFAOYSA-N 322.368 2.827 0 40 DFAB CCO[C@H](C)c1nc(Cn2c(=O)oc3cccnc32)cs1 85264604 MMUHMLJCRSIPJA-SECBINFHSA-N 305.359 2.592 0 40 DFAB O[C@H](C[C@H]1CCCCCN1CC1OCCO1)c1cccs1 95992519 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O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1cnc[nH]1 524733060 PVBLVPLTPMJOHK-HNNXBMFYSA-N 314.414 2.611 0 40 DFAB CC(C)c1cnc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)o1 79097350 FZDWMCYUQSRZJA-GFCCVEGCSA-N 309.410 2.897 0 40 DFAB C[C@@H](Cn1cc(Br)cn1)C(=O)NC1CCCCC1 32611159 ZIDKFLVZQHQTIL-JTQLQIEISA-N 314.227 2.731 0 40 DFAB O=C(NCCSc1ccccc1F)NCc1cccnc1 79098036 VPFWVLTVUMTKBK-UHFFFAOYSA-N 305.378 2.812 0 40 DFAB Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[nH]1 76392084 JURNWMPKUMKJHO-KGLIPLIRSA-N 302.761 2.623 0 40 DFAB O=C(c1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1 36171465 VTGHSQYWJIENDC-UHFFFAOYSA-N 300.402 2.551 0 40 DFAB Cc1cc(Cn2nnc3ccccc3c2=O)c2ccccc2n1 74014922 SESVBCDWLIIRJC-UHFFFAOYSA-N 302.337 2.696 0 40 DFAB COc1cccc2c(N3CCC(n4cncn4)CC3)c(C)cnc12 195576717 JATFLMRBGHKRSO-UHFFFAOYSA-N 323.400 2.985 0 40 DFAB COCCn1c([C@@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183691 MUDGUOKHYUDKJK-CYBMUJFWSA-N 324.384 2.569 0 40 DFAB COCc1nc2c(s1)CN(C(=O)c1cccc(C)c1)CC2 41194429 IOHRGSIEAZLCAZ-UHFFFAOYSA-N 302.399 2.796 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)c1 530076851 SSSGQWKAFNOLMG-MRXNPFEDSA-N 311.385 2.705 0 40 DFAB COC(=O)c1ccc(CO[C@@H]2CCCc3c[nH]nc32)cc1F 190167105 DYNJWPHKQGHGKM-CQSZACIVSA-N 304.321 2.930 0 40 DFAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(C)(CO)CC1 195564001 PRNUKHCBRMUKPY-CZUORRHYSA-N 302.418 2.724 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cc1 330817595 DSHCNEHZABOZQA-CQSZACIVSA-N 307.415 2.866 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)o1 96502105 OAPUZKYNNAVLRX-ZIAGYGMSSA-N 322.405 2.834 0 40 DFAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ccsc3)CC2)N1C 96208697 UWAAPMXRKHSMES-HNNXBMFYSA-N 322.474 2.854 0 40 DFAB c1cncc(OC2C[C@H]3COC[C@@H](C2)N3Cc2ccsc2)c1 96252521 GITBKYSDJSGFEW-FKEKPDDDSA-N 316.426 2.954 0 40 DFAB COC(=O)c1cnc(OCC(F)(F)F)c(C2CCOCC2)c1 146047073 BSSINYIZABOCJK-UHFFFAOYSA-N 319.279 2.703 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)Nc2cnn(C)c2)cc1 96433874 LXVSJLSXJVJUHT-GFCCVEGCSA-N 302.378 2.744 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cccs2)C1 96454710 VNIIOYJYQNHXAV-NSHDSACASA-N 310.419 2.830 0 40 DFAB COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)n[nH]c1C 95473515 HXHSEMHNXDJYDK-ZDUSSCGKSA-N 311.341 2.667 0 40 DFAB O=C(Nc1cccc(CN[C@H]2CCCSC2)c1)[C@@H]1CCCO1 97370829 ZTWWOJFQTOZROF-HOTGVXAUSA-N 320.458 2.789 0 40 DFAB COCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 93346088 WNOATFGHAJIQEB-UHFFFAOYSA-N 301.390 2.964 0 40 DFAB CCO[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn2C1 253387033 YWPNSMBBGZYRTN-GOSISDBHSA-N 322.412 2.852 0 40 DFAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2nccs2)n1 257313063 UQWHPEYSYSWIRW-HNNXBMFYSA-N 316.430 2.511 0 40 DFAB O=C(Cc1ccn(-c2ccccc2)n1)Nc1ccc(C(=O)O)cc1 538475369 DXSFPESCLHNLPZ-UHFFFAOYSA-N 321.336 2.752 0 40 DFAB O=C(N[C@@H]1CCCc2[nH]ccc21)c1cc(F)c(F)c(O)c1F 390834096 RUFZGNYTLLUNSU-LLVKDONJSA-N 310.275 2.945 0 40 DFAB Nc1ccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)c(Cl)c1 575441632 NYTUIABSKJXGMM-UHFFFAOYSA-N 305.643 2.825 0 40 DFAB C[C@H](Nc1cc(N2CCOCC2)ncn1)c1ccc(Cl)cn1 572753753 IQKQRSYLWHLEFH-NSHDSACASA-N 319.796 2.535 0 40 DFAB CCOC(=O)[C@@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 44070015 RXJJMCKWQBBLKA-NWDGAFQWSA-N 309.410 2.703 0 40 DFAB O=C(Nc1cccc(-c2noc(C3CCOCC3)n2)c1)C1CC1 69738196 ZZKOBUXBBSZUAK-UHFFFAOYSA-N 313.357 2.979 0 40 DFAB O[C@]1(CN[C@@H](Cc2ccccn2)C2CC2)CCc2ccccc21 90795627 HHSQGECRIDAIKZ-PMACEKPBSA-N 308.425 2.826 0 40 DFAB COc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 5577481 WUVXRJAWUCTARA-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB CCCCn1c(=O)c2c(c3ccccc31)OC(=O)C(F)(F)C2=O 5671721 JDFBLQOESKBMJE-UHFFFAOYSA-N 321.279 2.539 0 40 DFAB CCCN(C(=O)C1CC1)c1nc2c(s1)CCc1c-2cnn1C 12146055 ZETJHTJLWUPACP-UHFFFAOYSA-N 316.430 2.795 0 40 DFAB Cc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccccc3F)C2)n1 19117989 LEPBMSMLLQNRKE-CQSZACIVSA-N 301.365 2.597 0 40 DFAB O=C(NOCc1cccnc1)N1CCc2c(Cl)cccc21 167201959 FPGNVBJXNUWCHE-UHFFFAOYSA-N 303.749 2.939 0 40 DFAB Cc1cc(OCC(=O)NCCC2CCN(C)CC2)ccc1Cl 156354166 SSPQFUGTYZLWGL-UHFFFAOYSA-N 324.852 2.875 0 40 DFAB C[C@@H](C[C@H](O)c1ccc(F)cc1)NC1CCC2(CC1)OCCO2 156418824 CMQIGMVPOHUZKG-GUYCJALGSA-N 323.408 2.913 0 40 DFAB O=C(COC(=O)Cc1ccc(Cl)cc1)NC1CCCCC1 3402450 XCOFIIQIFOPJON-UHFFFAOYSA-N 309.793 2.875 0 40 DFAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](c2cccs2)C1 825679697 MYQYKFDKEBXTFM-SECBINFHSA-N 313.366 2.820 0 40 DFAB Cc1cc(N2CCC(c3nnc(C4CC4)o3)CC2)n2nccc2n1 1888897033 NASGYDNJKCTELT-UHFFFAOYSA-N 324.388 2.682 0 40 DFAB Cc1nccn1CC1CN(c2nc(C(F)(F)F)cs2)C1 1889078048 XIOUKQRIFHHWJD-UHFFFAOYSA-N 302.325 2.803 0 40 DFAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1cccs1 244909762 AUIFSDHNEIQGRG-ZDUSSCGKSA-N 322.455 2.861 0 40 DFAB COc1ccc(CC[C@H]2NC(=O)c3ccccc3O2)cc1OC 9142693 ZHDGUJFJPYNMIN-KRWDZBQOSA-N 313.353 2.785 0 40 DFAB CCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(F)ccc21 101061380 XDXHNHJBWFPNNR-ICFOKQHNSA-N 322.361 2.567 0 40 DFAB CN(C)CCCNC(=S)Nc1ccc(OC(F)F)cc1 4134945 SKDINHKIXPDRLO-UHFFFAOYSA-N 303.378 2.526 0 40 DFAB O=C(O)[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]1c1ccc(F)cc1 12188753 GYMGMEDCADSGMJ-UKRRQHHQSA-N 314.316 2.509 0 40 DFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccs1 70636338 VRSFSGCGJLRMAZ-CYBMUJFWSA-N 315.316 2.928 0 40 DFAB COc1ccc(NC(=O)NCCCN2CCCC2)cc1Cl 40098707 YDNZDOIKKAJKBU-UHFFFAOYSA-N 311.813 2.956 0 40 DFAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 40287607 MEQGBXDXYSVULJ-UHFFFAOYSA-N 308.312 2.932 0 40 DFAB CCCC[C@H](CC)CNC(=O)c1ccc(-n2cnnn2)cc1 20427041 XWOVZLUWNLOOHD-ZDUSSCGKSA-N 301.394 2.609 0 40 DFAB CC(=O)c1cccc(NC(=O)Cn2nc(C(F)F)cc2C)c1 370994 SCTCPHKRIAGJIY-UHFFFAOYSA-N 307.300 2.970 0 40 DFAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCCC1 32743645 AIOOVXKQBJWYQT-UHFFFAOYSA-N 310.382 2.989 0 40 DFAB Cc1cnn(CCNC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 69976253 ROJQNFFMXBPQLQ-CQSZACIVSA-N 313.323 2.534 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(C)=O)cc1 342836 NEGMVPUJTJKZBY-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2c(C)n[nH]c2C)C1 76070114 MXRXMLZWSTWYKO-CHWSQXEVSA-N 310.467 2.571 0 40 DFAB Nc1cc2c(cc1Br)-c1c(C(=O)O)cccc1[C@H]2O 1710717 JUBNYXMCCFLCMH-CYBMUJFWSA-N 320.142 2.792 0 40 DFAB O=C(Cc1ccccc1F)OC1CCN(CC(F)(F)F)CC1 78984814 QHZSHKQVSUXFAN-UHFFFAOYSA-N 319.298 2.938 0 40 DFAB CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C(=O)OC)c1 79066102 WWGJFNKUHKIBJN-ZIAGYGMSSA-N 306.362 2.549 0 40 DFAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cccs3)nn12 79482024 WSNBAYXSVVBADK-UHFFFAOYSA-N 322.806 2.968 0 40 DFAB O=C(CCNc1ncccn1)Nc1ccc2oc(C3CC3)nc2c1 52641881 XLDUGRNZDSTQIT-UHFFFAOYSA-N 323.356 2.936 0 40 DFAB O=C(CCOc1ccccc1)Nc1ccnn1Cc1ccco1 32988116 DIGFBQPBXCDDQL-UHFFFAOYSA-N 311.341 2.932 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6742181 IMDFZIJZZVRMEW-TXUJKZCJSA-N 301.386 2.919 0 40 DFAB C1=NN2C(=NC3=C(COc4ccccc43)[C@@H]2c2ccccc2)N1 500955 AVCZXANCSGLEHR-KRWDZBQOSA-N 302.337 2.750 0 40 DFAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 22480454 QUOQDBXLMCPJFA-UHFFFAOYSA-N 321.279 2.502 0 40 DFAB C[C@H](OC(=O)c1ccccc1)C(=O)N1CCc2sccc2C1 22562329 DVDSZFIOQRWGCR-LBPRGKRZSA-N 315.394 2.878 0 40 DFAB CCN1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 50123264 JFAYDXSGVIKRCU-UHFFFAOYSA-N 312.866 2.986 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc2c1CCCC2 22879947 GOUKFGNGVAWAMQ-GFCCVEGCSA-N 312.369 2.915 0 40 DFAB O=C(NCCc1ccc(O)cc1)c1c(Cl)nc2ccccn12 54116603 KEHZEZYFGARPDM-UHFFFAOYSA-N 315.760 2.666 0 40 DFAB CCn1c(C)cc(C(=O)NC[C@H]2COc3ccccc3O2)c1C 54456948 GEGSFYUSBYTRDG-AWEZNQCLSA-N 314.385 2.695 0 40 DFAB C(=C/c1ccccc1)\CSc1nnnn1C[C@H]1CCCO1 57562952 HCFAIFUIBDNUBT-LHRNQBEKSA-N 302.403 2.658 0 40 DFAB Cc1c([C@H](C)NC(=O)c2cc(-c3ccccc3)on2)cnn1C 25001929 NFNQNTLINZELOA-NSHDSACASA-N 310.357 2.875 0 40 DFAB CC(=O)NCC1(c2cccc(Br)c2)CCOCC1 55790206 RCTQHMAVECOQAX-UHFFFAOYSA-N 312.207 2.633 0 40 DFAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccccn1 25358857 MVFDBZQNVGUNHC-LBPRGKRZSA-N 302.374 2.958 0 40 DFAB CC(C)[C@@H](C)NC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762727 PLFKVKSDJXBJMK-OAHLLOKOSA-N 319.449 2.727 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1coc2ccccc2c1=O 3279607 GTDJYRVSPHQROT-UHFFFAOYSA-N 323.304 2.817 0 40 DFAB C[C@H](C[S@](C)=O)NC(=O)Nc1cccc(N2CCCCC2)c1 97107368 NCBQZLHLJOBYEM-MCMMXHMISA-N 323.462 2.565 0 40 DFAB O=c1oc(-c2ccc(F)cc2F)nc2cc3c(cc12)OCCO3 12619593 XNCPBNVKWOHQHU-UHFFFAOYSA-N 317.247 2.904 0 40 DFAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc2nccnc2c1 97138775 ZLGDYQFKCWCBAG-HZPDHXFCSA-N 308.341 2.777 0 40 DFAB CN(C(=O)/C=C/c1cn(Cc2ccccc2)nn1)C1CCCC1 44890244 UEVFECVTFLDORX-VAWYXSNFSA-N 310.401 2.741 0 40 DFAB O=C(NCCSc1ccccc1)[C@H]1COc2ccccc2O1 20239191 YRAUKMAGVKNEPC-MRXNPFEDSA-N 315.394 2.735 0 40 DFAB Cn1ccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cc1=O 58267925 FCFBRQJDJNKBIX-UHFFFAOYSA-N 324.384 2.742 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@H](C)Cc1ccco1)c1cccs1 44913039 FSRCYJJZBAIEFS-BXUZGUMPSA-N 320.414 2.656 0 40 DFAB COc1ccc(C(N)=O)c(OCc2cccc3cccnc23)c1 48272547 OLFJFLUMERPLCU-UHFFFAOYSA-N 308.337 2.921 0 40 DFAB O=C(CSCCO)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408526644 BQLOWGFEOWKDGL-GXTWGEPZSA-N 319.451 2.714 0 40 DFAB C[C@H]1CCCCN1[C@@H](C)CNC(=S)NCc1ccccc1 36847566 SNISHSJZIZBGRT-GJZGRUSLSA-N 305.491 2.914 0 40 DFAB Cc1ncsc1C(=O)NCc1ccc(Cn2ccnc2)cc1 48353639 AGCBYMARYIVIRE-UHFFFAOYSA-N 312.398 2.626 0 40 DFAB NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 4156099 QNNOPTKCZDYRHR-UHFFFAOYSA-N 306.309 2.617 0 40 DFAB Cc1n[nH]c(SCc2cccc(C(F)(F)F)c2)nc1=O 4249006 OFATTZGGCBZYKL-UHFFFAOYSA-N 301.293 2.784 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)C1 5210376 QSMRQSLQXVQAGY-LBPRGKRZSA-N 316.430 2.822 0 40 DFAB O=C(NCc1ccoc1)NCc1cccc(OCC(F)F)c1 65576320 GTLWUOKOIIGSHG-UHFFFAOYSA-N 310.300 2.923 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCC[C@H](C(F)(F)F)C1 65538677 KYSXNVXJRMWWRR-SDDRHHMPSA-N 315.339 2.683 0 40 DFAB C[C@H]1CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC(C)(C)O1 65690506 PQMGERDIICVNFD-RYUDHWBXSA-N 316.405 2.833 0 40 DFAB COc1ccc(CC[C@@H](C)NC(=O)/C=C/c2cnccn2)cc1 67069826 WTKZXOYKFMIMRW-DNGMOHDESA-N 311.385 2.636 0 40 DFAB O=C(Nc1n[nH]c(-c2cccs2)n1)[C@H]1C[C@H]1c1ccco1 67573979 YVAFDYITNZOOKT-BDAKNGLRSA-N 300.343 2.868 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)cc1 8276243 GPBBLVVXTNZIGB-WFASDCNBSA-N 309.431 2.540 0 40 DFAB O=C([C@@H]1CCOC1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 71834674 DJECQGQULYQLKK-CYBMUJFWSA-N 314.360 2.959 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H](n2cccn2)C1 69485583 DADFSWWMZHOXLT-LBPRGKRZSA-N 322.796 2.629 0 40 DFAB O=C(c1coc(Br)c1)N1CCC[C@@H](n2cccn2)C1 69418356 VHVUIQUZAILTBF-LLVKDONJSA-N 324.178 2.716 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2ccco2)c1 71865760 KZTABUJUKOENAK-OAHLLOKOSA-N 301.390 2.798 0 40 DFAB C[C@H](NCc1nccn1Cc1ccccc1)[C@H](C)n1cccn1 69655987 IKGJPJCTAKBWJO-HOTGVXAUSA-N 309.417 2.867 0 40 DFAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1nncs1 19816241 YHYAPIMZYWFURZ-UHFFFAOYSA-N 315.358 2.550 0 40 DFAB CN1CCN(c2ccccc2CNC(=O)Nc2ccccc2)CC1 69844501 PAYIOSBCPNDDFO-UHFFFAOYSA-N 324.428 2.760 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@H]2c2cnn(C)c2)s1 71796682 MFNJNDLRUIAZGF-LBPRGKRZSA-N 304.419 2.725 0 40 DFAB Cc1sc2ncc(C(=O)N3CCC[C@H](C)[C@@H]3C)c(=O)n2c1C 97034037 UDYWRDACPBYGHI-UWVGGRQHSA-N 319.430 2.633 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)no1 72232313 SPLBECLNYYXGFR-ZDUSSCGKSA-N 303.362 2.916 0 40 DFAB CC(C)N(CCOc1cccc(S(C)(=O)=O)c1)C1CCC1 72293970 ISOLXNBZJHZZSF-UHFFFAOYSA-N 311.447 2.732 0 40 DFAB Cc1oc(CNC(=O)CCCOc2ccccc2)cc1C(=O)O 95361119 SHHOIYWXMYMBNW-UHFFFAOYSA-N 317.341 2.762 0 40 DFAB Cc1cscc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450460 SKNLNIBVXBJETC-SWLSCSKDSA-N 318.442 2.672 0 40 DFAB Cc1nc(CC(=O)N[C@H](C)[C@H](C)Oc2ccccc2)cs1 95400142 AXMUOALXLZHUAK-NEPJUHHUSA-N 304.415 2.966 0 40 DFAB O=C(O)C1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 95425232 DBSKTKYLFZINIK-WTIRTOOYSA-N 323.339 2.828 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1F 95962508 VSYJNGNCOOSWNK-BARDWOONSA-N 322.424 2.971 0 40 DFAB CC(C)c1cccc(CSc2nnnn2C2CCOCC2)n1 95980013 MUKRPLLECWBGIV-UHFFFAOYSA-N 319.434 2.835 0 40 DFAB COc1cccc(C(=O)Nc2cccnc2OCC(F)F)c1 95980286 QWGQWTQHLLHTRM-UHFFFAOYSA-N 308.284 2.986 0 40 DFAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1c(F)cccc1Cl 74998246 RUUPOLCQVYSVRI-UHFFFAOYSA-N 319.723 2.579 0 40 DFAB COc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C)[C@H]2C)cc1F 89919902 XHSCFXCTHHFJIE-TUAOUCFPSA-N 310.369 2.714 0 40 DFAB O=C(NCCCN1CCOCC1)c1cc2cc(Cl)ccc2o1 20622356 HPSCZGLJDZOEJM-UHFFFAOYSA-N 322.792 2.538 0 40 DFAB CCCCn1ncc(I)c1COCC 408716704 PYWJYVSKXRAYKN-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)C3)cc1 26896983 YGQGEEIEZLTLSR-LLVKDONJSA-N 303.383 2.717 0 40 DFAB CCOC(=O)C(C)(C)N1CCN(c2ccc(Cl)cc2)CC1 68603687 HSWGBZNNQWLPSZ-UHFFFAOYSA-N 310.825 2.804 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 78446026 JCCXXQPYVVCUHA-ILXRZTDVSA-N 318.417 2.609 0 40 DFAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3ccncc3)cc12 43482851 LIWTTWLCTUZWFB-OAHLLOKOSA-N 308.341 2.904 0 40 DFAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Br)cc2)o1 72227291 BTPUKKOAFJDXJH-STQMWFEESA-N 321.174 2.766 0 40 DFAB CC(=O)Nc1nc(C2CN(CCc3ccccc3)C2)cs1 72368702 QXUHAAXPTGNRAB-UHFFFAOYSA-N 301.415 2.743 0 40 DFAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCCCC2)o1 41637548 CLBOLNNGMOMBRV-LBPRGKRZSA-N 318.402 2.973 0 40 DFAB COc1cccnc1NC(=S)N[C@H](C)COc1ccccc1 225784780 CEYDLXXJMXOBKE-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB CSc1nnc(NS(=O)(=O)Cc2cccc(C)c2)s1 225309649 ZTMSHXVISAINFH-UHFFFAOYSA-N 315.445 2.510 0 40 DFAB Cc1cc([C@@H](C)NC[C@@]2(O)CCOC2)ccc1Br 225561714 ZOIDKQZSSVTBBK-RISCZKNCSA-N 314.223 2.560 0 40 DFAB COCc1ccc(CNc2ccccc2N2CCC(O)CC2)o1 195574107 FJLCSTQPAHXFDN-UHFFFAOYSA-N 316.401 2.999 0 40 DFAB COc1ccc(C(=O)CCCCCC(=O)O)c(OC)c1OC 43214198 FDHXATJHWBISTJ-UHFFFAOYSA-N 310.346 2.930 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H]1CO)c1ccc(Br)cc1 133475800 RTUIDMHWHCFTND-MFKMUULPSA-N 312.207 2.536 0 40 DFAB Cc1cc2ccccc2n1CC(=O)N[C@@H](CC(C)C)C(=O)O 40313233 XQGAKLSFAFYLII-AWEZNQCLSA-N 302.374 2.565 0 40 DFAB biogenic CC[C@]1(C)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1 190183871 KYNCOSXUEUOZQL-YVEFUNNKSA-N 316.405 2.834 0 40 DFAB CCC[C@@H](C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224379844 CZUMFJBIMCBPID-CYBMUJFWSA-N 324.446 2.535 0 40 DFAB C[C@H](Nc1ncccc1Cl)c1cccc(S(N)(=O)=O)c1 88698945 NCMRQOHESZQKSD-VIFPVBQESA-N 311.794 2.556 0 40 DFAB c1ccc(-n2ncc3c(N[C@@H]4C[C@H]5CC[C@@H]4O5)ncnc32)cc1 96468217 OUFVUHRKTXUPRH-YUELXQCFSA-N 307.357 2.547 0 40 DFAB CC1([C@@H]2CCCN(C(=O)NCCC3CCCC3)C2)OCCO1 96502064 PAGKWLGJNXJRMT-OAHLLOKOSA-N 310.438 2.751 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200035 SELQXZCWPBMOHS-ZWKOTPCHSA-N 313.372 2.573 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)nn1 97378592 KFCQRFDJMJSMEK-OLZOCXBDSA-N 318.421 2.853 0 40 DFAB C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1nccn1C 95421777 LVWUGHVZOLYGPH-LLVKDONJSA-N 306.797 2.580 0 40 DFAB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4=CCCC4)CC3)O2)n1 96109970 IRBXZMNYRZOSFV-AWEZNQCLSA-N 317.389 2.701 0 40 DFAB CC(C)[C@H](O)Cc1nc(-c2ccc(Br)o2)no1 97379289 QWFZODTZGOOVNY-SSDOTTSWSA-N 301.140 2.652 0 40 DFAB CCS[C@H]1CC[C@@]1(O)CNC(=O)/C=C/c1ccc(F)cc1 96450751 IXJJEHBKIGKFKA-BNVCYRGBSA-N 309.406 2.602 0 40 DFAB c1ccc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 96046953 BPWAAOKHTGOQAN-FQEVSTJZSA-N 322.456 2.965 0 40 DFAB C[C@H](N[C@H](C(N)=O)C(F)(F)c1ccccc1)c1ccccc1 95470352 YSRXWGIQWHNBMT-SWLSCSKDSA-N 304.340 2.983 0 40 DFAB COc1ccc(O[C@H](C)CNC(=O)/C=C/c2cccnc2)cc1 96431579 BUAJGFKYKTZYLO-AZWQULSGSA-N 312.369 2.687 0 40 DFAB COCCC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96501379 QSCNKIWJNCGBSN-CYBMUJFWSA-N 317.307 2.642 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1 96410843 LSJRVJNDOKVUIM-UHFFFAOYSA-N 324.427 2.579 0 40 DFAB Fc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)cc1 96057887 VBIDCZUKVXTXLX-RCCFBDPRSA-N 305.393 2.984 0 40 DFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCCCC2)n1 256048878 WUOUJBJMDXVSFK-UHFFFAOYSA-N 300.362 2.518 0 40 DFAB Cc1cc([C@H]2CN(CCOc3ccccc3)CCO2)nc(C)n1 257311559 UKARTOVKGRGBQJ-GOSISDBHSA-N 313.401 2.546 0 40 DFAB CCn1cc(CN(C)[C@H]2CCCN(c3ccccn3)C2)c(C)n1 257224059 FADVPKGDTRRLJZ-KRWDZBQOSA-N 313.449 2.707 0 40 DFAB CC(C)(C(=O)N1CC[C@@H](CN2CCCCC2)C1)C1CCOCC1 253430907 OTDNDBMIMBZZRB-INIZCTEOSA-N 322.493 2.774 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)n1 253388883 DBGHRTNYZOXYSV-PMPSAXMXSA-N 311.385 2.888 0 40 DFAB O=C(c1cnccn1)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257247490 IZGFXSHFKGNHND-XYJFISCASA-N 322.412 2.575 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)Cc3csc(C)n3)CC[C@@]2(C)C1 257267041 MFSJZDABFOTUAD-FMKPAKJESA-N 308.447 2.800 0 40 DFAB CC(C)(C)C(=O)NC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C 60107950 AEBHNPKOJZYPQC-HNNXBMFYSA-N 318.461 2.922 0 40 DFAB CCc1ccc(C(=O)NCc2nnc(SC)n2CC)cc1 5001708 NJQQEODGLPCKRS-UHFFFAOYSA-N 304.419 2.512 0 40 DFAB COc1ccccc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 5527570 AMOKRMWLMZIUII-GOEBONIOSA-N 302.418 2.690 0 40 DFAB O=C1CCC[C@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 5603214 IETLIBMCSNSIRC-OXQOHEQNSA-N 321.376 2.790 0 40 DFAB O=C(/C=C\c1ccccc1)N[C@H]1C=Nc2ccccc2NC1=O 5664451 LSUDSJYYPAHXFJ-SNGWPZLWSA-N 305.337 2.539 0 40 DFAB CCOC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 12118052 KBOJHZWHOWERKM-UHFFFAOYSA-N 318.398 2.823 0 40 DFAB O=C(CCCOc1ccc(Cl)cc1)NCCCn1ccnc1 14396148 NOFOJYGIFBPYKK-UHFFFAOYSA-N 321.808 2.902 0 40 DFAB CCc1cccc(C)c1N(C(=O)/C=C/C(=O)O)[C@H](C)COC 5471647 WVXUZYDBYUGVKH-WTNCMQEWSA-N 305.374 2.566 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C1 9815740 FPESDVNZHKVGDG-GHMZBOCLSA-N 321.446 2.539 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)C(=O)NCCO3)c1 9171793 HGSMWRRZGFJJPQ-UHFFFAOYSA-N 310.353 2.678 0 40 DFAB C[C@@H](Cc1ccoc1)NS(=O)(=O)Cc1cccc(Cl)c1 206663771 MDZZNWPBVMTBLB-NSHDSACASA-N 313.806 2.984 0 40 DFAB CCN(Cc1ccco1)S(=O)(=O)c1cccc(C(C)=O)c1 30445906 JVKTYDJKJMGUMK-UHFFFAOYSA-N 307.371 2.693 0 40 DFAB Cc1cc(NC(=O)COc2ccc(Br)cc2)n(C)n1 40477567 YDRYXDFVEHYNEQ-UHFFFAOYSA-N 324.178 2.509 0 40 DFAB O=c1c2ccccc2nnn1COc1ccc(F)cc1Cl 2620972 KSGSVAVYHGQEJB-UHFFFAOYSA-N 305.696 2.621 0 40 DFAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc[nH]1 32893070 UIQOMWMLZONUBG-UHFFFAOYSA-N 309.325 2.790 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1 76067369 PJQGQGZNUPGTND-HUUCEWRRSA-N 317.462 2.768 0 40 DFAB CC[C@@H](NC(=O)N[C@H](C)Cn1nc(C)cc1C)c1nccs1 76018558 LTSVAXGDOXFZSP-DGCLKSJQSA-N 321.450 2.795 0 40 DFAB O=c1cc(CSc2nnc(Cc3cccs3)o2)occ1O 78817991 UZFJACCRVKGCNL-UHFFFAOYSA-N 322.367 2.673 0 40 DFAB CN(C)c1ncccc1CNC(=O)C1(c2ccccc2)CCC1 46945983 WNZFPPTYMGDPOD-UHFFFAOYSA-N 309.413 2.886 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCCC1 21897562 JYORJHZPPHATBA-AWEZNQCLSA-N 304.390 2.704 0 40 DFAB CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1 7056217 MEZIIZZLQQPAKA-UHFFFAOYSA-N 317.366 2.893 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccncc1 41448396 GRNMJCYWKJLWKI-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N(C)Cc1ccco1 24376668 ZXPWVOJTIBURGM-NSHDSACASA-N 319.336 2.587 0 40 DFAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)C1CCCC1 55623606 SETWEBONDAJDNP-UHFFFAOYSA-N 310.397 2.703 0 40 DFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](CCO)C1 106839041 ADVANSYHBYGPEO-KGLIPLIRSA-N 301.390 2.892 0 40 DFAB CC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 55941984 GCXLWGJOMDHOJE-UHFFFAOYSA-N 310.419 2.598 0 40 DFAB O=C(N[C@@H](c1ccccn1)C1CCCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108106073 CTEQKIDKPSXOJK-MWQQHZPXSA-N 315.417 2.932 0 40 DFAB Cc1cc(Br)cnc1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 108359584 HRJUTJQPAGAUMH-OUAUKWLOSA-N 311.179 2.659 0 40 DFAB CNC(=O)c1ccc(CN(C)c2nc3ccccc3nc2C)cc1 44782167 DXYYWWYFNHBKQY-UHFFFAOYSA-N 320.396 2.934 0 40 DFAB O=C1COc2ccc(C(=O)COc3ccccc3Cl)cc2N1 3382425 UUIKBDUWIRCMGM-UHFFFAOYSA-N 317.728 2.933 0 40 DFAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)s1 44977316 GARQKQZBRLJONJ-MNOVXSKESA-N 320.414 2.954 0 40 DFAB O=C(NCc1ccco1)Nc1ccnn1Cc1ccsc1 58416794 PZLSKYNLYLIZPF-UHFFFAOYSA-N 302.359 2.908 0 40 DFAB Cc1cc(NC(=O)[C@@H](NCc2ccccn2)c2ccccc2)no1 28621760 RBDQLHLALCIOSH-KRWDZBQOSA-N 322.368 2.848 0 40 DFAB Cc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 3598425 IBXWSRBRGHEOTI-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)c3scnc3Cl)C2)n1 48941706 QMWLNSRGWRWKEQ-QMMMGPOBSA-N 312.782 2.508 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 13225196 WLUQQFKZSRXZQV-HERUPUMHSA-N 309.312 2.823 0 40 DFAB in-vitro O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Br)cc1 13477899 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Cc1cnn(C[C@@H](C)NCc2cccc3c2OCCCO3)c1 69444181 DPZRBGHBLFYHHT-CQSZACIVSA-N 301.390 2.531 0 40 DFAB COc1cc(OC)c(CN[C@H](C)c2ccccn2)c(OC)c1 8428728 NPAMLJMQWGTBRI-GFCCVEGCSA-N 302.374 2.958 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccn3)CC2=O)c1C 69599198 MXIJSLIEOSFURY-CQSZACIVSA-N 309.369 2.690 0 40 DFAB Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)cn1 69559444 ILZRWJCEHILQND-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB CC(=O)N(C)CC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 69535750 VJPRYKZRWVKZGI-SECBINFHSA-N 317.216 2.691 0 40 DFAB Cc1noc(N)c1C(=O)OCc1cccc(Br)c1 9314184 NRBQVGRCAKMCMY-UHFFFAOYSA-N 311.135 2.685 0 40 DFAB CCCCS(=O)(=O)N1CCC(Nc2ccccc2F)CC1 96428457 KTCXMUWHMHHLKT-UHFFFAOYSA-N 314.426 2.832 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 71870880 DJDNTGMZTLZJEL-HNNXBMFYSA-N 318.446 2.671 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccsc2)CC1 71835156 HYUAKDDLKGPSPK-GJZGRUSLSA-N 316.426 2.789 0 40 DFAB Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCC[C@@H]2C)cc1 71856472 OGJXIHRXKGXFFI-ZFWWWQNUSA-N 320.458 2.972 0 40 DFAB O=C(c1ccc(-c2ccccc2)[nH]c1=O)N(CC(F)F)C1CC1 71883505 DDZOOEBEPOWEPE-UHFFFAOYSA-N 318.323 2.912 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3ccsc3)CC2)oc1C 71824770 HWLODQLDMXTYHC-UHFFFAOYSA-N 319.430 2.701 0 40 DFAB CN(C)C[C@H]1CN(Cc2csc(C3CCCC3)n2)CCO1 71878825 QJVQWJLSMXKEFY-HNNXBMFYSA-N 309.479 2.563 0 40 DFAB CCc1n[nH]c(=O)c(CNC(=O)c2cc(C)c(C)s2)c1CC 83817653 LOVPWXZSYQSGJM-UHFFFAOYSA-N 319.430 2.503 0 40 DFAB COCc1nnc(NC(=O)c2nc(C)sc2C(C)C)s1 72402232 PTVGETRBIKKQOX-UHFFFAOYSA-N 312.420 2.825 0 40 DFAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCC1CCCCC1 97362730 TVWPWDLMHWBQBD-UHFFFAOYSA-N 322.371 2.826 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)N2CCC(Nc3ccccc3)CC2)n1 84114321 CCTJEKKGBAFQSS-CQSZACIVSA-N 312.417 2.716 0 40 DFAB CCS(=O)(=O)Nc1cc(-c2cc(Cl)ccc2OC)n[nH]1 97098402 ZTTSGTMMKPIJLF-UHFFFAOYSA-N 315.782 2.500 0 40 DFAB CC(C)=CCSc1ccccc1C(=O)NCCCC(N)=O 72294634 VFYRUQTWNOHRGY-UHFFFAOYSA-N 306.431 2.740 0 40 DFAB Cc1nc(C)n(-c2ccc(C(=O)OC[C@H]3CCCCO3)cc2)n1 95404944 KKWWTSDZAAKLTF-MRXNPFEDSA-N 315.373 2.610 0 40 DFAB CS(=O)(=O)c1ccccc1N1CCO[C@@H](c2ccsc2)C1 95412227 SAFNQIYQJCRWEO-CQSZACIVSA-N 323.439 2.730 0 40 DFAB CC1(C)CC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 95464421 KWICXHBISCGTPC-LBPRGKRZSA-N 315.479 2.532 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)CS[C@@H](C)c2ccccc2)C1 95418026 GEPIBPIRIJTICV-XJKSGUPXSA-N 320.458 2.608 0 40 DFAB CCCc1cc(NC(=O)c2cnn(-c3ccccn3)c2C)n[nH]1 95956475 OEDPOAKNJBHHEC-UHFFFAOYSA-N 310.361 2.504 0 40 DFAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306127488 FZSUAEUOPGJDFS-OAHLLOKOSA-N 318.417 2.514 0 40 DFAB c1ccc(CCN2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc1 306133346 MJCOMKSAJOBRFD-LJQANCHMSA-N 324.472 2.653 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(N3C[C@@H](C)O[C@H](C)C3)c21 72238349 MINUVQTUBQVUST-VXGBXAGGSA-N 317.437 2.892 0 40 DFAB CCn1ccc(NS(=O)(=O)c2cccc(CSC)c2)n1 71195374 FCXIRGPNVARHNT-UHFFFAOYSA-N 311.432 2.567 0 40 DFAB Cc1nn(C)cc1CN1CCC(Oc2cccc(F)c2)CC1 528572599 SMVZGZZTNROHMI-UHFFFAOYSA-N 303.381 2.911 0 40 DFAB CC1(C)CCC[C@@H]1NC(=O)NCCCCn1ccccc1=O 78972934 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CCOc1ccc(C(=O)N(C)C)cc1NC[C@@H]1CCC=CO1 194169866 ZERXADSWPHNKSE-AWEZNQCLSA-N 304.390 2.892 0 40 DFAB Cc1noc([C@@H]2COCCN2Cc2ncc(C(C)C)s2)n1 97103989 XUYVMSKSLGBYGH-NSHDSACASA-N 308.407 2.531 0 40 DFAB C[C@H](CO)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 96441568 NHNJUEVDWGBTHP-OAHLLOKOSA-N 322.408 2.911 0 40 DFAB CC(C)(C)OC(=O)N1CCc2cnc(C(F)(F)F)nc2C1 91352992 HBKOLFLTHFASNK-UHFFFAOYSA-N 303.284 2.789 0 40 DFAB c1cncc(-c2ncnc3c2CCN(Cc2ccco2)CC3)c1 96083987 MFSKCNYKKNHHPJ-UHFFFAOYSA-N 306.369 2.732 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@@H](C)Oc1cccc(F)c1 96425904 NROMEFGTGULLAE-SNVBAGLBSA-N 306.337 2.557 0 40 DFAB O=S(=O)(c1cccnc1)N1CCC(=Cc2ccccc2)CC1 96455464 IBJIXESRVWNHQY-UHFFFAOYSA-N 314.410 2.950 0 40 DFAB O=C(N[C@@H]1CCn2nccc2C1)c1ccccc1C(F)(F)F 245174031 YGYGJBBMPVLUQA-SNVBAGLBSA-N 309.291 2.647 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 257204760 AWESRUWXHFUJAA-ZDUSSCGKSA-N 323.400 2.689 0 40 DFAB CC(=O)N1CCN(Cc2cncs2)C[C@H]1c1ccccc1 257313983 UUXUGIIMLQHTPD-INIZCTEOSA-N 301.415 2.549 0 40 DFAB Cn1ccc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)n1 257220978 DNARVSRAMKUARC-UHFFFAOYSA-N 324.837 2.724 0 40 DFAB CO[C@]1(COc2ccccc2C)CCN(Cc2cc(C)on2)C1 585275191 ZPUOQISECUCXOA-GOSISDBHSA-N 316.401 2.961 0 40 DFAB O=C(Cn1nc(-c2ccco2)oc1=O)c1ccc2c(c1)CCCC2 53361774 SMJUGCUFULAAST-UHFFFAOYSA-N 324.336 2.858 0 40 DFAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 70172636 JJEVOCDBMCCRQN-GHMZBOCLSA-N 311.223 2.649 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 75161506 XVORYRVOICPERG-AWEZNQCLSA-N 315.417 2.869 0 40 DFAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@H]1CCCc2ccccc21 74045543 BVCPOGUVKUVUNB-INIZCTEOSA-N 319.368 2.925 0 40 DFAB COc1cccc(-c2noc([C@@H](C)NC[C@H]3CCCCO3)n2)c1 97374556 KIKXMMKXGSZYST-IUODEOHRSA-N 317.389 2.965 0 40 DFAB Cc1c(Br)cccc1C(=O)N(C)c1ccnn1C 74959151 JXFINFMNJBAEAQ-UHFFFAOYSA-N 308.179 2.768 0 40 DFAB CC(=O)N1CCC(N2CCC3(CC2)CCC(C)(C)OC3)CC1 1615158243 QVXZYACDVOSGHT-UHFFFAOYSA-N 308.466 2.669 0 40 DFAB CCOc1ccc(NC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 18143623 ATRGAWHQGPCKRB-UHFFFAOYSA-N 324.336 2.885 0 40 DFAB CCOC(=O)c1cc(C(=O)OCC)c(C(F)(F)F)nc1C 160171 MDLBOTPMVPJSPL-UHFFFAOYSA-N 305.252 2.762 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cc(N)ccc2N(C)C)c1 226324022 MWTOZMJBMLYRRZ-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB Cc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)c(C)c1 4121176 JMHMTTRIDSTCCV-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB O=C(Cc1ccsc1)N[C@H]1CCN(Cc2ccsc2)C1 618257035 PMSUNAQRUKYCGD-AWEZNQCLSA-N 306.456 2.743 0 40 DFAB O=C(O)[C@H](CO)NC/C=C/c1cccc(Oc2ccccc2)c1 29570962 YCUQOECSKWQFBP-UABRLCRWSA-N 313.353 2.527 0 40 DFAB O=C(CC(=O)C(F)(F)F)Nc1ccc(Br)cc1 100041366 QUJPXBXVPHBWFG-UHFFFAOYSA-N 310.069 2.909 0 40 DFAB COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1OC 44007 NRALVZBNGKLSOA-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1ccccc1 40497380 OGANOSHPUFSDMM-JTQLQIEISA-N 317.776 2.878 0 40 DFAB Cc1cnc(C(=O)NCc2cc(Br)cs2)cn1 40553617 JLOGRTKABUTPDX-UHFFFAOYSA-N 312.192 2.539 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 40525897 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CCn1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cn1 43637195 ISEBKCWDDGKNPD-LLVKDONJSA-N 316.361 2.557 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H](C)c1cccs1 44179743 HLDBXRDIWBSFGB-NSHDSACASA-N 317.414 2.919 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@@]1(C)CO 97165935 JRECJIPJGJAFTA-DYVFJYSZSA-N 306.406 2.621 0 40 DFAB CCn1cc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cn1 28231322 LSHCENVTSDPYJP-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB C[S@](=O)Cc1cccc(C(=O)NCCc2ccc(F)cc2)c1 44890881 XVIRIHVBZZOKOC-JOCHJYFZSA-N 319.401 2.677 0 40 DFAB CC(C)[C@H](C)N(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1 58262688 TUHPBORTSDTKST-NSHDSACASA-N 316.401 2.543 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2noc(CC(C)C)n2)c(C)c1 44948071 ZVUVQDXEMMEVKB-UHFFFAOYSA-N 308.403 2.859 0 40 DFAB CCCC1(CCC)NC(=O)N(C[C@@H](O)c2ccccc2F)C1=O 28912439 BEGUGIKHPWHOAB-CQSZACIVSA-N 322.380 2.750 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(C(C)C)no2)c1C 29134882 OBPPMUFPJOZTBX-UHFFFAOYSA-N 305.334 2.698 0 40 DFAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc[nH]n2)c(C)c1 48356056 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COc1ccccc1CCNC(=O)c1cnc2ccccc2n1 9503423 JSKUVUHHUIPWOF-UHFFFAOYSA-N 307.353 2.611 0 40 DFAB CCn1ccnc1CSc1nc(O)cc(C(F)(F)F)n1 71914311 MHFLKCZMVTZCPE-UHFFFAOYSA-N 304.297 2.710 0 40 DFAB CC(=O)c1ccc(O[C@@H]2CCN(CC(F)(F)F)C2=O)c(C)c1 84093712 SROFEZNRBSFNGG-CYBMUJFWSA-N 315.291 2.740 0 40 DFAB O=C(Cc1cccs1)N[C@@H](CO)c1ccc(Cl)c(F)c1 97046197 MEFZZZQYLRUKJU-ZDUSSCGKSA-N 313.781 2.933 0 40 DFAB CCn1c(S[C@H](C)c2nc(COC)no2)nc2cnccc21 97085523 BVYKLHHWZXVTTR-SECBINFHSA-N 319.390 2.834 0 40 DFAB OC[C@H]1CCCN1c1cc(N[C@H]2CCc3ccccc32)ncn1 72276032 IWTURUZXOPHTSX-ZBFHGGJFSA-N 310.401 2.537 0 40 DFAB CCCOc1ccc(C(=O)NCc2c[nH]cn2)cc1OCCC 72297747 BAEXOBNDNHJPSB-UHFFFAOYSA-N 317.389 2.917 0 40 DFAB C[C@@H]1CN(c2ccc(NC(=S)NC3CC3)cc2)C[C@@H](C)O1 84713553 DRHDCHQIQCTUSX-VXGBXAGGSA-N 305.447 2.749 0 40 DFAB CCCCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)cc2C)C1(C)C 95413029 WXPJZSZKDZTOPV-GJZGRUSLSA-N 320.433 2.739 0 40 DFAB CCOc1ccc(C(=O)N2CCCCC2)cc1NCCCO 95412025 UJGUDHRLNCUHBA-UHFFFAOYSA-N 306.406 2.506 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 95452009 OGUIARVRXDAAMR-INIZCTEOSA-N 324.384 2.722 0 40 DFAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H](C)CCc1cccn1C 74055893 NWEXEXAFIOWOFD-QWHCGFSZSA-N 316.449 2.681 0 40 DFAB c1ccc(N2CC[C@@H](NCc3ccccc3-n3cccn3)C2)nc1 95990165 LCLRBMJREJYSDM-QGZVFWFLSA-N 319.412 2.636 0 40 DFAB CN(C)[C@H](C(=O)NCCSc1ccc(Cl)cc1)C1CC1 89312158 XGQCJOSUAGEXJJ-AWEZNQCLSA-N 312.866 2.889 0 40 DFAB C[C@@H](Cc1ccsc1)Nc1cc(N2CCC[C@@H]2CO)ncn1 75128482 SUJVKKXQVXYXOG-GXTWGEPZSA-N 318.446 2.542 0 40 DFAB CC(C)(C)NC(=O)C[S@@](=O)Cc1cc(-c2ccccc2)no1 89643082 QMSUHPRHMAJJPS-JOCHJYFZSA-N 320.414 2.505 0 40 DFAB CC(C)C[C@](C)(NC(=O)c1cccc(-c2ccoc2)c1)C(N)=O 89808685 DYYNMUXHSVCVFI-SFHVURJKSA-N 314.385 2.967 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)cc1F 89888069 CCQXTKSCCMHAIS-CQSZACIVSA-N 324.396 2.933 0 40 DFAB COc1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 64799466 DNYMPCVHUDRKHE-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB Cc1nn(C)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1C 78612493 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49548779 QQJCGWYPYPFFRY-UHFFFAOYSA-N 310.357 2.980 0 40 DFAB CCc1noc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 46087645 WSPRVHVJDGXAGF-UHFFFAOYSA-N 317.364 2.720 0 40 DFAB Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccccn2)C1 225604125 IRBIDUFRAOKIIE-AWEZNQCLSA-N 302.447 2.805 0 40 DFAB Cc1ccc(CNC(=O)CC2CCC3(CC2)OCCO3)s1 225561156 YRCDTLSNQBWGRO-UHFFFAOYSA-N 309.431 2.996 0 40 DFAB C[C@H](CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1ccc(F)cc1 195573109 PIBFFSIGIXQXPI-UKPHBRMFSA-N 304.409 2.920 0 40 DFAB O=C1C[C@](O)(C(=O)c2ccc(Cl)cc2)c2ccccc2N1 226820150 UJKRIXBJDJKBRV-MRXNPFEDSA-N 301.729 2.753 0 40 DFAB Cc1nc(O)[nH]c1C(=O)Nc1cccc(OC2CCCC2)c1 575812477 LSASKSJCIDREFO-UHFFFAOYSA-N 301.346 2.997 0 40 DFAB Cc1ccc(NC(=O)NCc2ccnc(N(C)C)n2)c(Cl)c1 224238711 DNLOYJGRXIVUGL-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCCCC1 225735684 BCQLYKUVORSZLL-UHFFFAOYSA-N 304.777 2.667 0 40 DFAB COc1cccc(N2CCC[C@H](NC(=O)c3cscn3)C2)c1 96409292 JPKZMXRDPSJONG-LBPRGKRZSA-N 317.414 2.551 0 40 DFAB CC(=O)N1CCN(C(=O)c2cn(C(C)C)c3ccccc23)CC1 95477534 BOGARJJDGROAGI-UHFFFAOYSA-N 313.401 2.527 0 40 DFAB Cc1cc(C(=O)N2CCOc3ncccc32)nn1-c1ccccc1 96451738 HBGSNEUNCZKOJI-UHFFFAOYSA-N 320.352 2.615 0 40 DFAB O=C(Cc1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200018 QUGNKYMCZNIDEM-ZWKOTPCHSA-N 313.372 2.573 0 40 DFAB O=C(CC1CC1)N1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 96217996 NTUUVPLSEGXVAP-SFHVURJKSA-N 304.434 2.570 0 40 DFAB Cc1ccc2[nH]c(C(=O)NCCCn3ccccc3=O)cc2c1C 96408395 NKKCZGYCSBEXBE-UHFFFAOYSA-N 323.396 2.767 0 40 DFAB O=C(CC[C@@H]1CCCO1)NCCc1nc(C(F)(F)F)cs1 96432821 XXSYCYAQDMHWAX-VIFPVBQESA-N 322.352 2.780 0 40 DFAB O=C(C1CCCC1)N1CCC2(CCCN2c2ncccn2)CC1 96227966 UPGGVRSJKMRKOD-UHFFFAOYSA-N 314.433 2.628 0 40 DFAB Cc1ccc(Cc2nnc(NC(=O)C3(O)CCCC3)s2)cc1 95953687 NVALXPGJOGDVFT-UHFFFAOYSA-N 317.414 2.681 0 40 DFAB O=C(O)c1ccccc1-n1cnc(CNc2ccc(F)cn2)c1 257258516 KUIMOGJULSNAIT-UHFFFAOYSA-N 312.304 2.717 0 40 DFAB C[C@]1(c2ncc(CNC(=O)c3cccs3)cn2)CCCCO1 257228781 FVEHCVIFUSRKAU-MRXNPFEDSA-N 317.414 2.884 0 40 DFAB O=C(Nc1ccc2c[nH]nc2c1)c1ccc(O[C@H]2CCOC2)cc1 390835681 UVJDOBCRLKKNMX-INIZCTEOSA-N 323.352 2.983 0 40 DFAB Cc1cc(CC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)ccn1 585275634 FIKPXYIMGKZAFO-OALUTQOASA-N 324.424 2.527 0 40 DFAB COC(=O)N(C)CC(=O)N1CCC(CCc2ccccc2)CC1 47797867 RBJGSYMAWFACIK-UHFFFAOYSA-N 318.417 2.556 0 40 DFAB CCOc1ccc(CC(=O)NCCCn2nc(C)cc2C)cc1 44866925 ROKGHLGDORWDBZ-UHFFFAOYSA-N 315.417 2.648 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1ccnc(-n2ccnc2)c1 58391791 QBYBLJHTEHMIGP-INIZCTEOSA-N 304.353 2.685 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)Nc1ccc(Br)cc1 96454946 ICGSXHJEFCHIKR-MRVPVSSYSA-N 315.167 2.522 0 40 DFAB O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O 12405041 MXCDRFGKHNFKIP-UHFFFAOYSA-N 322.298 2.753 0 40 DFAB C[C@H]1NC(=S)N(CC(c2ccccc2)c2ccccc2)C1=O 15569951 YAIDQPZSPWXUSV-CYBMUJFWSA-N 310.422 2.924 0 40 DFAB CCN(CC)CCN(C)[C@@H](C)C(=O)Nc1ccccc1Cl 19364880 BXQOLQWNEFCLSG-ZDUSSCGKSA-N 311.857 2.941 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(CC3CC(F)(F)C3)C2)nc1 1888850358 FWSIXKWIZYGTAD-AWEZNQCLSA-N 310.392 2.731 0 40 DFAB S=C(NC[C@@H]1CCCO1)Nc1cccc(Br)c1 13786942 RGALINBISRJGBR-NSHDSACASA-N 315.236 2.915 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(C(F)(F)F)nc1O 33209005 XQSBJDDKDNPAMF-QMMMGPOBSA-N 314.263 2.760 0 40 DFAB N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1nccs1 33570083 HDZYIGVODQPWIX-ULJDAWQFSA-N 303.368 2.904 0 40 DFAB Cc1ccc(NC(=O)CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 34858921 RPZFYNDUYZUCDX-LJQANCHMSA-N 323.440 2.798 0 40 DFAB O=C(CCCc1nc(-c2ccccc2)no1)N1CCSCC1 40542072 MSHUHEXCCQRENY-UHFFFAOYSA-N 317.414 2.635 0 40 DFAB O=C(NCc1cccc(F)c1)c1nc(-c2cccs2)no1 1428544 FDHGGCPUVFIZPS-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1nn(C)cc1-c1ccno1 4771026 PQCUDTDXGWVUKK-UHFFFAOYSA-N 300.293 2.775 0 40 DFAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 16916631 DIDHSPZCDJSLDQ-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2ncccc2c1 585149894 YCHLXCVTCLABEP-HIFRSBDPSA-N 311.385 2.582 0 40 DFAB O=C(NCC[C@H](O)c1cccs1)c1ccc2nsnc2c1 77113740 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Cc1nn(CC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl 8714494 VHSQEDTZPIYMHV-UHFFFAOYSA-N 301.177 2.960 0 40 DFAB Cc1nnc2n1CCN([C@H](C)c1ccccc1Br)C2 69741193 VFVJJPOAPFEJTI-SNVBAGLBSA-N 321.222 2.926 0 40 DFAB CCO[C@@H](C)C(=O)NCc1ccnc(N2CCCCCC2)c1 69739322 XJAPGGCDCCWYHZ-AWEZNQCLSA-N 305.422 2.503 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5111540 NZROJLCTWWAWQR-UHFFFAOYSA-N 303.280 2.777 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1 28245277 VASCVFIIIMZAHR-MRXNPFEDSA-N 312.417 2.815 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCCc1ccc(Cl)cc1 65474668 UQBHKOWWJAXMTD-JSGCOSHPSA-N 322.836 2.775 0 40 DFAB NC(=O)c1ccc(C(F)(F)F)n(CC2CCCCC2)c1=O 14152622 SMTWIWXOOMILHE-UHFFFAOYSA-N 302.296 2.546 0 40 DFAB COc1cccc(N2CCN(C(=O)c3cccs3)CC2)c1 5420655 PYQYHGCUXKXVDC-UHFFFAOYSA-N 302.399 2.719 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(Nc3ccccc3)CC2)cn1 66048068 UALRGABAHRAABI-ZWKOTPCHSA-N 324.428 2.627 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(C)c2)c1 67010525 GZVCJZPQGHESKA-AWEZNQCLSA-N 318.442 2.754 0 40 DFAB CCn1nc(NC(=O)CCOC)c2cc3cccc(C)c3nc21 9012852 OKHOBTGQEWLZAJ-UHFFFAOYSA-N 312.373 2.888 0 40 DFAB CCc1ccc(-c2noc(CSc3nncn3C)n2)cc1 7722431 VWIKBYCRLFBXOV-UHFFFAOYSA-N 301.375 2.720 0 40 DFAB COCc1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1 83914990 AFZYQXQQHNQEBX-UHFFFAOYSA-N 320.736 2.705 0 40 DFAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cnn(C(C)C)c2)o1 72300144 QACGXNBEULCJOF-CQSZACIVSA-N 323.418 2.891 0 40 DFAB CCOCC(=O)N[C@H](CC(=O)O)c1ccc(C(C)(C)C)cc1 95424715 WCQFBOOMPQLOTO-CQSZACIVSA-N 307.390 2.653 0 40 DFAB COc1cccc(-c2nc(C(=O)NCc3ccn(C)c3)c(C)[nH]2)c1 95439660 ZNWJNFFWVUOOGA-UHFFFAOYSA-N 324.384 2.662 0 40 DFAB COc1ccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 95421291 FQTMDUDOLUSRFJ-WCQYABFASA-N 302.340 2.982 0 40 DFAB CC(C)Oc1ccccc1NC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 95446503 PZVKSLCVLBPMNY-STQMWFEESA-N 319.405 2.592 0 40 DFAB COCCn1nc(C)c(CN[C@H]2CC(C)(C)OC2(C)C)c1C 95420926 WFBFUTVVCFKWGF-HNNXBMFYSA-N 309.454 2.582 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H](C)c1ccncc1 95978994 DMEUYELZMILVKD-RYUDHWBXSA-N 300.406 2.835 0 40 DFAB Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 9903823 JLABRMIBLMQOAG-UHFFFAOYSA-N 323.396 2.946 0 40 DFAB CC(C)N1CC[C@@H](N[C@H](C)Cc2nc3ccccc3s2)C1=O 89729152 KHQYXXHSYKUOJC-TZMCWYRMSA-N 317.458 2.826 0 40 DFAB O=C(c1ccccc1F)N1CCN(c2ccncc2Cl)CC1 89809719 AOUNLOMGKQWRJP-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB Fc1cc(CNCCOC[C@@H]2CCCO2)c2ncccc2c1 89807817 GPMRWOPTLGPBBK-INIZCTEOSA-N 304.365 2.659 0 40 DFAB CC(C)Oc1ccc(CNC(=O)c2cnoc2C2CC2)cn1 89890871 NJJMEHDXNZQQKS-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)CCc1ccc(-c2ccccc2)[nH]1 89937967 HUPKYEYILWCZJO-HNNXBMFYSA-N 311.429 2.777 0 40 DFAB C[C@@H]1COC2(CCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)O1 89941310 SWLIUWFQNLGMBH-XXXXFFMBSA-N 319.445 2.813 0 40 DFAB CN1CCN(C2CCN([C@@H]3CCCc4ccccc43)CC2)C1=O 75604148 NFQPEKWKHDUSIP-GOSISDBHSA-N 313.445 2.896 0 40 DFAB CCOc1ccc(C(=O)NCCCN2CCCC2)cc1OCC 61547437 SULFVRBLYYUELS-UHFFFAOYSA-N 320.433 2.700 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2Cl)cc1 72227167 XDFWWVXTHIBXMS-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB Cc1cccc(CSc2nc3cc(F)ccc3c(=O)n2N)c1 71768808 WXDSSFWOEFQPQW-UHFFFAOYSA-N 315.373 2.850 0 40 DFAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 72324802 JGUNZNOVQQBWJF-KGYLQXTDSA-N 315.244 2.633 0 40 DFAB Cc1cnccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 189755334 BQEINQYGMOXOSC-IAGOWNOFSA-N 310.401 2.957 0 40 DFAB COc1cc(C)ccc1S(=O)(=O)NCc1ccc(C)cc1 72414404 VDWKWRLTHTWGNI-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 71279852 HEJPDAAGIWXFNE-VHSXEESVSA-N 317.263 2.881 0 40 DFAB COCCCNC(=O)CSCc1ccc(Cl)cc1F 224336745 JHGDYYSZKLESLL-UHFFFAOYSA-N 305.802 2.865 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(Cl)cc1 224197603 RUHYWUOSOPXHDB-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1ccc(F)cc1 40138971 LQTRDEWMMVOIQA-KGLIPLIRSA-N 307.413 2.918 0 40 DFAB Cn1nccc1C1CCN(c2cc(Br)ccn2)CC1 195567309 OTRVACWOTOHBPS-UHFFFAOYSA-N 321.222 2.962 0 40 DFAB CCCn1c(C(=O)O)nc2cc(C(=O)NCC)c(Cl)cc21 225731038 FZQYUJATNLUJMF-UHFFFAOYSA-N 309.753 2.548 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)NCc1cccc(C(=O)O)c1 193709435 WILOSHYUBWZXFM-UHFFFAOYSA-N 309.365 2.732 0 40 DFAB CCOC(=O)Cc1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 40175850 PMJAAYKYWVLGNC-UHFFFAOYSA-N 317.389 2.787 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)Cn2ccnc2)C1 96462616 YWMIZINGJUGEEI-BFHYXJOUSA-N 310.467 2.587 0 40 DFAB C[C@H]1C[C@@H](C)CN1C(=O)c1nn(-c2cccc(F)c2)cc1O 581674222 WDVQJVWZTBDKAD-MNOVXSKESA-N 303.337 2.588 0 40 DFAB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 96423533 PRNLKXOGASSXLL-BRWVUGGUSA-N 318.461 2.720 0 40 DFAB COc1ccccc1[C@H](C)CNC(=O)N[C@H]1CC[C@H](N(C)C)C1 91768681 JZKZZYNTORWXDU-ILXRZTDVSA-N 319.449 2.581 0 40 DFAB Cc1nccc(CNC(=O)N(Cc2ccccc2)CC(F)F)n1 96468858 VWAFFVCMRGZTDC-UHFFFAOYSA-N 320.343 2.762 0 40 DFAB COc1ccnc(C(=O)N(Cc2ccccc2)CC(F)F)c1 96432672 GVZRPOBHSNLVRC-UHFFFAOYSA-N 306.312 2.998 0 40 DFAB Cc1nc(-c2ccc(F)cc2)cc(N2CC[C@@H](C(=O)O)C2)n1 96516904 YSFUECIWSVNJBI-GFCCVEGCSA-N 301.321 2.502 0 40 DFAB O=C(NCCOCC1CC1)c1c(F)cccc1Br 96454322 BCEHGXHSYZXKBD-UHFFFAOYSA-N 316.170 2.745 0 40 DFAB Cc1ccc(N2CC[C@H]3OCCC[C@]3(COC(C)C)C2)nn1 96040506 YJQYVYOEVGYWRJ-NVXWUHKLSA-N 305.422 2.586 0 40 DFAB CC[C@@H]1N(Cc2ccco2)CCC[C@]12CCC(=O)N2CCOC 96038506 HOFREHDGHCDTOP-WMZOPIPTSA-N 320.433 2.662 0 40 DFAB COC[C@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 93151812 IZIWKFLVSVFMLJ-NXEZZACHSA-N 318.826 2.519 0 40 DFAB Cc1noc(C)c1CN1CCN(CC2CC2)c2ncccc2C1 96198907 BIVPGTMNMSIEQU-UHFFFAOYSA-N 312.417 2.919 0 40 DFAB Cn1nccc1CN1CCC[C@@H](Cc2nccn3cccc23)CC1 257208724 BNKCSYRNWCZQIY-MRXNPFEDSA-N 323.444 2.913 0 40 DFAB CCCCc1nc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)c[nH]1 257291481 QHCUEOGGULAMHM-YJBOKZPZSA-N 318.465 2.776 0 40 DFAB Cc1cnc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)cn1 257251762 JSCJSXIDOYYKPN-LJQANCHMSA-N 323.396 2.634 0 40 DFAB O=C(CCOc1ccccc1)N1CCC[C@H](c2cnccn2)C1 257234670 GUOWNXIOWSDGAE-HNNXBMFYSA-N 311.385 2.652 0 40 DFAB O=C(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1ccn[nH]1 257199808 AAXBHWYDHXHCKK-CQSZACIVSA-N 313.357 2.548 0 40 DFAB COc1c(N)ncnc1N1CCC[C@@H](c2ccc(F)c(F)c2)C1 624448076 MMUGVIVVTQPBPX-LLVKDONJSA-N 320.343 2.730 0 40 DFAB Cc1csc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)c1 575616262 KMIXYFNEAMIWRU-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CC(C)CN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104523 OTRXZPLVDIOMFK-SFHVURJKSA-N 320.408 2.537 0 40 DFAB CN(CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)c1ccco1 83857541 LHTYHTYJHHHHBJ-RBSFLKMASA-N 318.417 2.827 0 40 DFAB OCc1ccc(OC(F)(F)F)c(I)c1 616576975 UWSOIKHXPUTTBK-UHFFFAOYSA-N 318.032 2.682 0 40 DFAB O=c1c2ccccc2nc(O)n1CCc1c[nH]c2ccc(F)cc12 15424761 VSXNSLMQLXOIML-UHFFFAOYSA-N 323.327 2.965 0 40 DFAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccccc1 19937191 HVZWLSXJGMCGPD-CYBMUJFWSA-N 319.364 2.928 0 40 DFAB Cc1cc(=O)c(OCC(=O)Nc2cccc3ccccc23)c[nH]1 524735668 QORJKYROGDAXGA-UHFFFAOYSA-N 308.337 2.854 0 40 DFAB C[C@@H]1CCCN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 1889108432 GXWZHLPOATXJFU-SNVBAGLBSA-N 310.444 2.936 0 40 DFAB CC(=O)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 15377002 BHQAYHRQQSYLAS-UHFFFAOYSA-N 319.792 2.659 0 40 DFAB Cc1nc(C(=O)N(C)Cc2ccccc2)nn1-c1ccc(F)cc1 15583225 OTGBGENUQXRZGL-UHFFFAOYSA-N 324.359 2.987 0 40 DFAB O=C(CSc1ccc(F)cc1)N1CC(Oc2cccnc2)C1 238866691 LXWBDZGSYCWQAW-UHFFFAOYSA-N 318.373 2.603 0 40 DFAB O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1F 67125609 NFYPXPZVTMHMGC-UHFFFAOYSA-N 302.305 2.691 0 40 DFAB C[C@H]1CC[C@H]2[C@H]3C[C@@H]4C[C@]2(O)[C@@]2(C[C@H](O)[C@@H]5CCCC[C@H]5[C@H]42)N13 2048392566 AGKXKKZYQAPZDW-BHSOIYCPSA-N 317.473 2.550 0 40 DFAB CN(C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 2087079663 RGJMBWXIHMYYPM-UHFFFAOYSA-N 306.369 2.618 0 40 DFAB COc1ccc(-c2cc(CC(=O)Nc3nccs3)no2)cc1 12867139 MZKXONXFKTZOTD-UHFFFAOYSA-N 315.354 2.988 0 40 DFAB CSc1nccc(N2CCC(Oc3nccs3)CC2)n1 2086883028 WKOSORFSGCVGCP-UHFFFAOYSA-N 308.432 2.703 0 40 DFAB O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1 36109562 GODAGDQXSBFQOC-KRWDZBQOSA-N 308.381 2.780 0 40 DFAB CCn1nc(C(=O)N[C@H](C)c2ccco2)c2ccccc2c1=O 20020558 YOJLMXSXDFOSLI-LLVKDONJSA-N 311.341 2.500 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)cn1 40120747 BNJFXKHNDHRBOE-CYBMUJFWSA-N 314.389 2.737 0 40 DFAB COc1c(C)cnc(CNC(=O)c2ccc(F)cc2F)c1C 50448701 WPEXVZWPNINHOC-UHFFFAOYSA-N 306.312 2.915 0 40 DFAB C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1cccnc1 31217097 FCXQEXWMOBFLJV-LBPRGKRZSA-N 316.405 2.962 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2nnnn2C2CC2)C2CC2)o1 40513733 ONPBWELOVRCZQR-IAQYHMDHSA-N 313.405 2.889 0 40 DFAB CC(C)N1CC[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 40623327 HSRQSVXWFVPGOV-ZDUSSCGKSA-N 304.463 2.958 0 40 DFAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Cl)nc1 347055 SQBOFXXQIARXHW-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@H](C)OCC2CC2)cc1 60323866 IHJZWKVDWMHZRV-KGLIPLIRSA-N 305.418 2.900 0 40 DFAB c1cnn(C[C@H]2CCCN2Cc2nc(-c3ccsc3)no2)c1 69951828 WYDLVMLCNZYSBK-CYBMUJFWSA-N 315.402 2.659 0 40 DFAB COc1cccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c1 76094733 GSIVGUGCNVUXCW-UHFFFAOYSA-N 317.307 2.879 0 40 DFAB CC[C@H](C(=O)c1ccccc1)[C@@H]1[C@@H](C(=O)OC)C(=O)OC1(C)C 1442591 NFEGGKGCZVDQJD-MELADBBJSA-N 318.369 2.636 0 40 DFAB CO[C@H](CNC(=O)CCn1cc(C)cn1)c1cccc(Cl)c1 78934483 CFYGLOUMCTVWKQ-OAHLLOKOSA-N 321.808 2.739 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 79158672 MAHAVIOAZCXICG-XFBWCDHKSA-N 316.426 2.637 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCc2sccc2C1 21629313 MBXSPYCNBPDZSM-UHFFFAOYSA-N 303.431 2.616 0 40 DFAB COC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C 2556683 NKWFWFWEJCKORD-OCCSQVGLSA-N 323.389 2.658 0 40 DFAB O=C(CN1C(=O)CCCc2ccccc21)NCc1ccccc1 21870636 IQJHQQFIOSPRRD-UHFFFAOYSA-N 308.381 2.672 0 40 DFAB CCn1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1=O 47181730 SOBLWOYMKLNPGB-UHFFFAOYSA-N 300.358 2.503 0 40 DFAB CN1CCN(C(=O)Cc2cccs2)c2nc3ccccc3nc21 22502797 RZDHACGWERDAKQ-UHFFFAOYSA-N 324.409 2.717 0 40 DFAB CCCc1n[nH]c(SCCOc2ccc(C(=O)OC)cc2)n1 53708902 FQPNRYFNNAXVKQ-UHFFFAOYSA-N 321.402 2.715 0 40 DFAB COc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 12515990 OGWISQMQPMXLAI-UHFFFAOYSA-N 307.357 2.655 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)nc1 24258775 ONOOEBNRBFFFLV-UHFFFAOYSA-N 320.732 2.783 0 40 DFAB O=C(c1ccc[nH]1)N1CCC(O)(c2ccc(Cl)cc2)CC1 72328607 FHWOWEPUPYQOIC-UHFFFAOYSA-N 304.777 2.792 0 40 DFAB O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 106517804 OAUQTDQPWBXBTJ-HRCADAONSA-N 310.401 2.896 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C)c1ccccc1 47934276 XBFZWHPKSDAOGT-ZDUSSCGKSA-N 322.372 2.853 0 40 DFAB Cc1cc(C(=O)Nc2cccc(OCCn3cccn3)c2)no1 55419970 JVRPKPMHFBAZIT-UHFFFAOYSA-N 312.329 2.511 0 40 DFAB O=C(COC(=O)c1ccco1)Nc1ccccc1Br 3237342 YEJAKZBRWNXCSE-UHFFFAOYSA-N 324.130 2.838 0 40 DFAB CC(=O)N1CCC(NCc2cc(Br)cs2)CC1 35011690 OPHMVGNHEWNBNX-UHFFFAOYSA-N 317.252 2.611 0 40 DFAB c1ccc(-c2noc(CN3CCC[C@@H](N4CCCC4)C3)n2)cc1 48236153 HKZJPOQQSZYMTC-MRXNPFEDSA-N 312.417 2.797 0 40 DFAB Cc1nccc(CNC(=O)c2[nH]c3ccccc3c2Cl)n1 58213449 MOEZWINQFLZBNG-UHFFFAOYSA-N 300.749 2.850 0 40 DFAB Cc1ccsc1CNC(=O)c1cccnc1N1CCCC1 44909683 AMOPUEFZXHHJFC-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB COc1cccc(COC(=O)c2ccc([S@](C)=O)cc2)c1 48326525 IJJNVRZEELARQE-OAQYLSRUSA-N 304.367 2.790 0 40 DFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc(C2CC2)no1 29429252 TWIGWOPPBHFZOW-LBPRGKRZSA-N 324.388 2.721 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 3400265 AOKUIBTYOFZRQW-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccccc1Cl 12939377 BWMYJJPNQBDYRA-UHFFFAOYSA-N 320.751 2.525 0 40 DFAB COc1ccc([C@H]2[C@H](C(C)=O)[C@@](C)(O)CC3=NN=C(C)[C@H]32)cc1 4111581 HDMQMOKRQPHFHG-BDXSIMOUSA-N 314.385 2.585 0 40 DFAB CC(C)NC(=O)CSc1nc(NC2CC2)c2ccccc2n1 8852041 QGXMHFJBPGCZSM-UHFFFAOYSA-N 316.430 2.821 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2sc3sccc3c2Cl)C1 65552801 YOLLOKXSDQXKQS-LURJTMIESA-N 314.819 2.564 0 40 DFAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2=O 19320080 IIUNVTBNIOLQKZ-UHFFFAOYSA-N 314.429 2.788 0 40 DFAB biogenic O=C(c1ccccc1F)N1CCN(C[C@H]2CC=CCC2)CC1 4745874 VRESTRQCPRLWKN-HNNXBMFYSA-N 302.393 2.940 0 40 DFAB CCOC(=O)c1sc(NC(=O)Cc2ccccc2F)nc1C 6851945 BJURXOXKPHTYNG-UHFFFAOYSA-N 322.361 2.949 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 7491942 FWKWWUNIUFZOKK-UHFFFAOYSA-N 311.341 2.596 0 40 DFAB Cc1nc(C(C)C)sc1[C@@H](C)NC[C@H]1CCCS1(=O)=O 90467584 KSQDMKCQAOOPSH-ZYHUDNBSSA-N 316.492 2.803 0 40 DFAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)C2=COCCO2)cc1C 7655326 YZPQYHQKPKCDOZ-ZDUSSCGKSA-N 304.342 2.614 0 40 DFAB COc1ccc([C@H](N[C@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1 81154950 DCULJYMWDWJHBT-RBUKOAKNSA-N 324.424 2.913 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCCCCC1 16484813 XQSUZOHYNUBPMA-GJZGRUSLSA-N 309.454 2.657 0 40 DFAB O=C(CCN1C(=O)CSc2ccccc21)NC1CCCC1 8076290 OCNHOSDZSVTQAB-UHFFFAOYSA-N 304.415 2.574 0 40 DFAB O=C(CN(C(=O)c1cccc2ccccc12)C1CC1)NC1CC1 69537760 GQFDCICVZHPRNA-UHFFFAOYSA-N 308.381 2.723 0 40 DFAB C[C@@H](c1nc(-c2cccs2)no1)N1CCc2c(ncn2C)C1 69510911 BEFPVZGPQMNNET-JTQLQIEISA-N 315.402 2.651 0 40 DFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(C)n3C)cc2)n1 69743175 MCKDGLDBZNZOOX-UHFFFAOYSA-N 322.368 2.645 0 40 DFAB CSCc1nnc(SCc2nc(N)c3ccccc3n2)o1 9338974 CJDDCGUXBIXTOR-UHFFFAOYSA-N 319.415 2.750 0 40 DFAB COc1ccc([C@H](O)CNC(=O)OCc2ccccc2)cc1 116507807 JPNNYNMYEHJOKH-MRXNPFEDSA-N 301.342 2.655 0 40 DFAB O=C(NC1CCSCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 71882749 BUOXQODPADBSGU-ZDUSSCGKSA-N 324.490 2.570 0 40 DFAB CCSc1ccc([C@H](C)NC(=O)NCC(C)(C)C(N)=O)cc1 71803446 HOMSLLHFKGNVDG-NSHDSACASA-N 323.462 2.670 0 40 DFAB Cc1ccnc(NC[C@H]2CCN(Cc3nnc(C4CC4)o3)C2)c1 97200818 UNDHXCCPILACID-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB C[C@H](CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1)C(=O)O 97039227 RBHSQCMDEQAFDD-IUPBHXKESA-N 323.339 2.780 0 40 DFAB Cn1cc([C@H](OC(=O)c2ccn3cncc3c2)C(F)(F)F)cn1 97032500 PLNUEKDWLLOYJU-LBPRGKRZSA-N 324.262 2.528 0 40 DFAB COc1ccc([C@H](C)NCC[C@H](C)O)c(Br)c1 97034539 OUSZWJBLDVHEDJ-UWVGGRQHSA-N 302.212 2.879 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](N[C@H](CO)c2ccco2)CC1 97084547 BCNCQCRHCPSFNB-ZIAGYGMSSA-N 324.421 2.692 0 40 DFAB COc1ccc([C@@H](C)N[C@@H](C)CCO)c(Br)c1 97034553 AXBSOBFXHGENMR-VHSXEESVSA-N 302.212 2.879 0 40 DFAB C[C@H](CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)CC(=O)O 97045151 KSWKYTYNRKUTIH-GUBZILKMSA-N 313.756 2.810 0 40 DFAB CSc1ccc(Cl)c(C(=O)NCc2ccc(=O)[nH]c2)c1 72288695 FPBVWLANEIDMNI-UHFFFAOYSA-N 308.790 2.680 0 40 DFAB CN(Cc1nc(-c2cccnc2)no1)c1ccnc(C(C)(C)C)n1 95410674 FELCGSZRBXMKDP-UHFFFAOYSA-N 324.388 2.856 0 40 DFAB O=C(c1ccc[nH]1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95453514 PCIIYMRWHNCDQP-AWEZNQCLSA-N 307.357 2.777 0 40 DFAB CCOC(=O)c1cnc(C)c(C(=O)OCc2ccoc2C)c1 95461521 RLEIEEZWONXLHP-UHFFFAOYSA-N 303.314 2.825 0 40 DFAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)CCc1cccn1C 74055889 NWEXEXAFIOWOFD-STQMWFEESA-N 316.449 2.681 0 40 DFAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]1CO 95960293 HOMZCWBJMVFDHH-HOCLYGCPSA-N 304.434 2.909 0 40 DFAB CCOc1ccccc1CCNC(=O)N1CCC[C@@H]1C(C)(C)O 95939369 GFCAVOKIVCTACQ-MRXNPFEDSA-N 320.433 2.573 0 40 DFAB CC[C@@]12CCCN1C(=O)N(Cc1ccc(C)cc1OC)C2=O 95992598 SGQIFKYLDILDCR-KRWDZBQOSA-N 302.374 2.710 0 40 DFAB CN(CCOCC1CC1)C(=O)Nc1ccc2oc(=O)ccc2c1 89346305 COOZIZZNUKMYQK-UHFFFAOYSA-N 316.357 2.683 0 40 DFAB O=C(CCc1ccco1)Nc1cccc(-c2nnnn2C2CC2)c1 9958174 UTRYZRQQAPZSSI-UHFFFAOYSA-N 323.356 2.839 0 40 DFAB CC(=O)Nc1cc(Br)cnc1OCC(F)(F)F 75138903 BXVQTDHNWZIQMD-UHFFFAOYSA-N 313.073 2.744 0 40 DFAB O=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccncc1 89873286 ODNKCZMZRYYECL-MRXNPFEDSA-N 306.369 2.795 0 40 DFAB O=C(CC1(CC(=O)NC2CC=CC2)CCCC1)NC1CC=CC1 89817979 VTRDKIRCTPUQFS-UHFFFAOYSA-N 316.445 2.997 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2cccc(COC)c2)C12CCC2 89985896 UIJWXEWVSLHWTR-HZPDHXFCSA-N 303.402 2.911 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ccccn2)C[C@@H](c2ccsc2)O1 89936961 CDDMJUARYCRUGW-DOMZBBRYSA-N 317.414 2.815 0 40 DFAB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=O 27021888 CSUPYDPZEZLDNC-UHFFFAOYSA-N 310.309 2.616 0 40 DFAB Cc1c(CCC(=O)Nc2cnn(Cc3ccccc3)c2)cnn1C 28574110 YMSQCAYBCOGQOH-UHFFFAOYSA-N 323.400 2.545 0 40 DFAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 25503776 RPYCFKOCNAXROH-UHFFFAOYSA-N 319.382 2.593 0 40 DFAB Cn1ccc2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc21 62001656 GGQSWVFVBVTNGD-LPHOPBHVSA-N 312.413 2.946 0 40 DFAB biogenic COc1ccnc(CNC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)n1 521616369 DZJFGBWWOGHCHV-HNNXBMFYSA-N 318.421 2.595 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=S)NCc1ccccc1 216927948 KSZHUJAGVMLHDH-UHFFFAOYSA-N 316.382 2.880 0 40 DFAB COC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O 32173563 GXOUHPWPKBJYGA-UHFFFAOYSA-N 314.366 2.688 0 40 DFAB Cc1nccnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 72203759 RTJFKDIZTVYBOO-UHFFFAOYSA-N 306.410 2.621 0 40 DFAB CC[C@@]1(C)CN(C(=O)NC[C@H](C)c2c(C)noc2C)CCO1 188228506 PRGNVCIAIRPCLJ-ZBEGNZNMSA-N 309.410 2.605 0 40 DFAB CNC(=O)c1ccc(OCC(=O)c2cc(C)sc2C)cc1 32783513 MDPWVRXFKCPYAR-UHFFFAOYSA-N 303.383 2.986 0 40 DFAB N[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218489666 BXWFWHOCVJPUJP-KFWWJZLASA-N 307.802 2.607 0 40 DFAB CCCN1C(=O)S/C(=C\Nc2ccc(C(=O)OC)cc2)C1=O 36636198 AYERAMUNVBFOMH-XFXZXTDPSA-N 320.370 2.832 0 40 DFAB CSC[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 77786359 DRARVKVTUSZNHZ-QMMMGPOBSA-N 320.336 2.512 0 40 DFAB Cc1cc(Br)cc(S(=O)(=O)Nc2ccon2)c1 187020091 WLAVAMXSXMWTAA-UHFFFAOYSA-N 317.164 2.546 0 40 DFAB C[C@@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 78556556 BXIBCFQYVPNHQH-HONMWMINSA-N 314.341 2.557 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 221251307 NUFHKZGSNPPTQP-RYUDHWBXSA-N 312.410 2.863 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 195574560 ZQWGEAOKMLJDGR-YUDUHTQSSA-N 321.442 2.648 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 47524090 NNZIQSXIPULPQV-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB Cc1cc(S(=O)(=O)N(C)c2cccc(O)c2)c(F)cc1F 84650166 OGCPSLXIYPULRT-UHFFFAOYSA-N 313.325 2.804 0 40 DFAB CC(C)(C)OC(=O)n1nc(CN2CCCC2)c2ccc(N)cc21 89195764 XZZZDDBTWDMHRX-UHFFFAOYSA-N 316.405 2.998 0 40 DFAB Cn1cc(NC(=O)CCCn2cc(-c3ccccc3)cn2)cn1 227165114 ZXAIJFWFMQHLDA-UHFFFAOYSA-N 309.373 2.703 0 40 DFAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCC(C)CC3)c2c1 225756587 NBFGMAJRSYTGLF-UHFFFAOYSA-N 312.413 2.877 0 40 DFAB CN(C)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1 96158630 LCJZSPIXEHSZQL-HNNXBMFYSA-N 322.836 2.665 0 40 DFAB Cc1cc(C)cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10335987 HDIOCJJZESXROK-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB O=C(O)[C@H]1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1 96516979 VGRVXEBZKVYDCB-AWEZNQCLSA-N 309.369 2.932 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](C)COCC(C)C 96415403 OOBLCYVWFRYCSH-NEPJUHHUSA-N 311.426 2.583 0 40 DFAB c1ccc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cc1 96108988 JJECLSIIWUAEAD-QUCCMNQESA-N 324.424 2.747 0 40 DFAB c1ccc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1 95696735 IQNPJIIGYJNFJB-QGZVFWFLSA-N 310.397 2.649 0 40 DFAB OC[C@H]1CCCN1Cc1ccccc1CNC1CCSCC1 96500764 GQHYJMYCKNFDHZ-GOSISDBHSA-N 320.502 2.629 0 40 DFAB CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 96434472 KRKKYJSQOOEJEI-MRXNPFEDSA-N 317.433 2.960 0 40 DFAB CC[C@](Br)(C(=O)c1cccc(C)c1)S(C)(=O)=O 96518691 JVRIARLHOKOPAO-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB 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MJCLFOBMZRMDOD-JOYOIKCWSA-N 323.828 2.808 0 40 DFAB O[C@@H](CNC1CCN(Cc2ccccc2)CC1)c1ccccc1 152443 CENCMKFNRCQRPR-FQEVSTJZSA-N 310.441 2.974 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCN(Cc2ncccc2C)C1 643914171 NJDCOYYKWAZYOU-IBGZPJMESA-N 312.413 2.714 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccccc1F)C2=O 4308972 GZOQQGMOMRMTNW-PIGZYNQJSA-N 318.348 2.509 0 40 DFAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1cccs1 13309097 WLNRODHLYTZRIT-SSDOTTSWSA-N 317.413 2.547 0 40 DFAB Clc1ccc2nc(N3CCN(c4cnsn4)CC3)oc2c1 1889175232 KLPVCXSZCIESNG-UHFFFAOYSA-N 321.793 2.659 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)CCc1ccco1)c1ccccc1 29987016 SRYPVQYWBLJHRB-KRWDZBQOSA-N 309.369 2.852 0 40 DFAB CC(C)(C)c1noc(Cn2cc(C(F)(F)F)ccc2=O)n1 31625504 PVTIIGWESQLNIM-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB COc1cc(N)ccc1NS(=O)(=O)c1ccc(Cl)cc1 20548436 QAIYSDDHFNXWKK-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)NCCC(C)C)CC2=O)cc1 62525 GLKGFTOWPTVOOH-HNNXBMFYSA-N 302.418 2.764 0 40 DFAB COc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 425737 MQNIQQRSPLTECZ-FQEVSTJZSA-N 323.416 2.955 0 40 DFAB COC(=O)c1ccc(CSc2nc(-c3ccncc3)n[nH]2)o1 6904168 IHNYJMUUFRBDMU-UHFFFAOYSA-N 316.342 2.539 0 40 DFAB COc1cccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)c1 1848992550 FXEWYXYLSQAYNF-UHFFFAOYSA-N 313.401 2.787 0 40 DFAB CCO[C@H]1CN(C(=O)CCc2ccccc2F)[C@@H]2CCCO[C@H]12 2055756539 SVXHFASEUFAZOU-RYRKJORJSA-N 321.392 2.553 0 40 DFAB Cn1cc(-c2cc(CNC(=O)/C=C/c3ccccc3)ccn2)cn1 575618202 JVXZUOPEVNLWMV-BQYQJAHWSA-N 318.380 2.812 0 40 DFAB O=C(NCC1(O)CCCCCC1)Nc1cnc(C2CC2)nc1 95399550 LEORJGLLQKRKIT-UHFFFAOYSA-N 304.394 2.561 0 40 DFAB COC(=O)Cc1csc(NC(=O)C[C@@H](C)c2ccccc2)n1 31765056 YLTMFYLADQXHLG-LLVKDONJSA-N 318.398 2.991 0 40 DFAB CCCn1ccc2cc(NC(=O)C3=NN(C)C(=O)CC3)ccc21 51421262 VSIFVRRNCIXHDU-UHFFFAOYSA-N 312.373 2.598 0 40 DFAB O=C(OCc1csc(-c2cccs2)n1)C1=COCCO1 32671873 VXROWGCECMMINO-UHFFFAOYSA-N 309.368 2.803 0 40 DFAB O=C(NCc1ccccc1)c1cc(-c2ccc(F)cc2)nc(O)n1 41189780 WUOLKEXDVSSPLT-UHFFFAOYSA-N 323.327 2.918 0 40 DFAB Cc1noc(C)c1CN(C)[C@H](C)C(=O)N1CCc2ccccc21 78953905 NESDFQSKNKGEMR-CYBMUJFWSA-N 313.401 2.701 0 40 DFAB CSC1(CNC(=O)NCc2sccc2C)CCOCC1 78940669 NHZUXLMOYLMSFA-UHFFFAOYSA-N 314.476 2.768 0 40 DFAB COCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4341926 FEVKQDZQEBGVSE-UHFFFAOYSA-N 323.805 2.857 0 40 DFAB NC(=O)c1ccc(F)c2c1C[C@H](N(C1CCC1)C1CCC1)CO2 4631259 MQTUXRKNJYPMCG-ZDUSSCGKSA-N 318.392 2.635 0 40 DFAB in-vitro O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccccc1 6557665 HPEIJTCNFVAYEW-UHFFFAOYSA-N 311.370 2.598 0 40 DFAB C[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)N1CCc2ccccc21 33056533 RMUUVDWRHZOVCX-IFXJQAMLSA-N 322.408 2.558 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cc2c(cc1Cl)NC(=O)CO2 33194319 WWLAQKWHHAUTBA-SECBINFHSA-N 306.749 2.966 0 40 DFAB COc1ccccc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 12128413 GJHXMUWSALZBSA-UHFFFAOYSA-N 313.332 2.683 0 40 DFAB C[C@@H](Cc1ccccc1)OC(=O)c1cnn(C)c1Br 97164828 WYGYGVHJOPSXQR-JTQLQIEISA-N 323.190 2.971 0 40 DFAB CCN(CC)[C@H](C)CNC(=O)Cc1csc(-c2ccco2)n1 41925053 JOTBPBPUXLPFLO-GFCCVEGCSA-N 321.446 2.792 0 40 DFAB CCCCS(=O)(=O)NCc1cccc(NC(=O)C(C)C)c1 53645811 KAXYKLANEAHEJQ-UHFFFAOYSA-N 312.435 2.501 0 40 DFAB COc1cccc(CNCc2cc(OC)c3c(c2)OCCO3)c1 22775545 KXKQWNASAOTRQB-UHFFFAOYSA-N 315.369 2.765 0 40 DFAB Cc1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)on1 24080379 XYWVUPYNAWZAQW-UHFFFAOYSA-N 322.748 2.728 0 40 DFAB S=c1n(CN2CCOCC2)nc(-c2cccs2)n1C1CC1 24002835 FCTKDPJXANUKSH-UHFFFAOYSA-N 322.459 2.767 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cnn(C)c1 24585327 JJNMUBDDVOFFNN-UHFFFAOYSA-N 309.373 2.534 0 40 DFAB Cc1cc(C)c([C@@H](C)NC(=O)CSc2ncn[nH]2)cc1C 12567770 LFSBKZNHRDTACN-GFCCVEGCSA-N 304.419 2.699 0 40 DFAB Cc1ccc2nc(Cl)c([C@@H]3NC(=O)[C@@H]4CCCN43)cc2c1 35343854 RHLYDZNZNSDIMV-DZGCQCFKSA-N 301.777 2.789 0 40 DFAB Cc1ccc(S(=O)(=O)n2cc(C(=O)O)c3ccccc32)cc1 44199061 IMYNPWUFTCRYQY-UHFFFAOYSA-N 315.350 2.885 0 40 DFAB CC(C)C(=O)N1CCC(Nc2ncnc3sccc23)CC1 26716720 DWSSYNCZQSVXPV-UHFFFAOYSA-N 304.419 2.750 0 40 DFAB CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cccc(F)c1F)C2 108532852 UXDJMGLZJKKPNJ-GUYCJALGSA-N 308.372 2.703 0 40 DFAB Cc1nccc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 108459016 SCQKDNDEVYGZRF-JSGCOSHPSA-N 320.437 2.915 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1C 28577578 KMVDTVXWCBNBGE-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB COCc1ccc(CNC(=O)Cc2n[nH]c3ccccc23)cc1 57984683 ZXBFSGWYVMDYRP-UHFFFAOYSA-N 309.369 2.568 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1C 3226937 BWSIREDWHPPKSD-UHFFFAOYSA-N 319.382 2.908 0 40 DFAB Cc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)c(Cl)c1 58225238 OXUOSJJKPYOCEA-UHFFFAOYSA-N 307.785 2.571 0 40 DFAB CCCCn1nnnc1CSc1ccc(NC(C)=O)cc1 58265900 LZXUWZQJHQFDBF-UHFFFAOYSA-N 305.407 2.724 0 40 DFAB CC(C)c1cc(C(=O)N2CCN(Cc3ccsc3)CC2)n[nH]1 44959547 FRXDQUIRXHYINZ-UHFFFAOYSA-N 318.446 2.553 0 40 DFAB O=C(CN1CCc2sccc2C1)NCc1ccc(F)cc1 10341142 XLTZHLZMOVUHOX-UHFFFAOYSA-N 304.390 2.562 0 40 DFAB C[C@H](OC[C@@H](O)CNC(=O)c1ccc(F)cc1)c1ccccc1 58306315 HZOYQYUMJLVSEG-GUYCJALGSA-N 317.360 2.694 0 40 DFAB CC(C)OC(=O)CCNC(=O)N(C)[C@@H]1CCc2ccccc21 45215421 QSHSRBHNDHWDJU-OAHLLOKOSA-N 304.390 2.657 0 40 DFAB Fc1cccc(-c2nnc3sc(-c4csnn4)nn23)c1 36365814 MSAJITMVJSQDKR-UHFFFAOYSA-N 304.335 2.510 0 40 DFAB Cc1ncc(C[S@@](=O)Cc2cn3cccc(C)c3n2)s1 83953132 ZNUGLDNOQHSKTD-HXUWFJFHSA-N 305.428 2.857 0 40 DFAB O=C(COc1ncnc2sccc12)Nc1ccc(F)cc1F 3317700 JVZLUNHUTPYBJB-UHFFFAOYSA-N 321.308 2.987 0 40 DFAB Cc1occc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 29249080 LMXKWEKHMQRJOW-CQSZACIVSA-N 314.389 2.883 0 40 DFAB O=C(COc1cccc(Br)c1)NCc1ccncc1 48303185 YRYSDCPEGUODRV-UHFFFAOYSA-N 321.174 2.539 0 40 DFAB Cc1ccc(C)c(OC2CCN(Cc3nnc(C)n3C)CC2)c1 62639966 CXRBQHSICSJUCD-UHFFFAOYSA-N 314.433 2.784 0 40 DFAB COc1cc(C(=O)Nc2nnc(C3CC3)s2)cc(OC)c1C 3524241 KWFXQUNYEIHGGQ-UHFFFAOYSA-N 319.386 2.993 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)C2CCCC2)cc1OC 13182408 PGZLBKPHMYWQPU-CYBMUJFWSA-N 321.373 2.526 0 40 DFAB O=C(CSc1nnc2n1CCCN2)c1ccc(Cl)cc1 13114072 QUSKWMTYAAPXGX-UHFFFAOYSA-N 308.794 2.722 0 40 DFAB COc1ccc(CN(C)[C@@H](C)C(=O)NC2CCCC2)cc1OC 13119684 MNISJFDTNROAQB-ZDUSSCGKSA-N 320.433 2.583 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)NCCc1ccccc1 8748342 OAMXHPQBDMFFMM-UHFFFAOYSA-N 306.369 2.548 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 97114357 UATIYWQHCDTLSS-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB O=C1NC(c2ccccc2Br)=N/C1=C\c1ccco1 6227902 KJHCZLBQWXPRIN-WQLSENKSSA-N 317.142 2.960 0 40 DFAB Cc1[nH]c2ccccc2c1C1N2CC3(C)CN1CC(C)(C2)C3=O 19312963 HWSMNUZKFJXCCS-UHFFFAOYSA-N 309.413 2.701 0 40 DFAB biogenic CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1 97165618 YFNYDDNKNIHINW-WEQKERJVSA-N 322.474 2.683 0 40 DFAB C[C@@H]1CCNC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595807 MBYPFHDEGGLQLS-PELKAZGASA-N 304.287 2.572 0 40 DFAB COC[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)C1 84157132 SKSKKGRAUAHHAC-CVEARBPZSA-N 320.433 2.830 0 40 DFAB Cn1nnnc1SCc1cc(-c2ccc(Cl)cc2)no1 14141126 LFFAWFUZOMENBQ-UHFFFAOYSA-N 307.766 2.811 0 40 DFAB CC1(CCNC(=O)N[C@@H]2CC(C)(C)c3ccccc32)OCCO1 97115859 TXGFRACHQSZGGP-OAHLLOKOSA-N 318.417 2.861 0 40 DFAB Cc1nc2c(n1C(C)C)CNCC21CCN(CC(C)C)CC1 306123737 AUZAQQVIIHUTSL-UHFFFAOYSA-N 304.482 2.865 0 40 DFAB COc1ccc(C(=O)NCc2ccc(F)cc2)c(OC)c1OC 5466803 QCHMUEOKIIDACV-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncccn2)cc1 6910844 MQTSTTPEIDGBHH-LLVKDONJSA-N 301.371 2.799 0 40 DFAB CC(C)c1nc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)no1 96000808 WXTGWGRFDWLEEU-CYBMUJFWSA-N 319.336 2.546 0 40 DFAB CC(C)C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccccn1 97038981 UCJUAKTYEYRFPV-DOTOQJQBSA-N 320.433 2.681 0 40 DFAB COc1ccc([C@H](C)N[C@@H](C)CCO)c(Br)c1 97034551 AXBSOBFXHGENMR-UWVGGRQHSA-N 302.212 2.879 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1cc(C)cc(C)c1 19736145 BUMGONIVXFUFNB-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O 96294974 KRMMRMZHNPTPER-OBIHZWKSSA-N 310.419 2.592 0 40 DFAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1c(F)cccc1F 8323113 HLZJRLYWWQTRGE-CQSZACIVSA-N 324.327 2.888 0 40 DFAB O=C(NCc1ccccn1)c1c[nH]c(=S)n1-c1ccccc1 17167923 RIRYKYNMNTYCAQ-UHFFFAOYSA-N 310.382 2.860 0 40 DFAB Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91777173 LQNTYMVZNBJOPE-XJKSGUPXSA-N 318.323 2.616 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H](O)C2)cc1OCC(F)F 69849326 MFPJNDWHCYXJTH-LBPRGKRZSA-N 314.332 2.628 0 40 DFAB CC(C)[C@H](Sc1ccc2ccccc2n1)C(=O)NC(N)=O 9592354 RPCMSCZRMNPJLW-ZDUSSCGKSA-N 303.387 2.546 0 40 DFAB O=C(/C=C/c1c(F)cccc1F)NC[C@H]1CCN(C2CC2)C1 71889006 FWFZSFWLVDFMGP-NNNHXZLVSA-N 306.356 2.579 0 40 DFAB O=C(CSCc1ccccc1)Nc1nnc([C@@H]2CCCO2)o1 71803660 FNGOEQTVZOSRSD-LBPRGKRZSA-N 319.386 2.793 0 40 DFAB CCc1nc([C@@H]2CCCN2c2ncnc3sccc23)no1 72279277 PXUUFJBXLPGESI-JTQLQIEISA-N 301.375 2.978 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1C 72282710 LMBRTIRJKGHFKA-AWEZNQCLSA-N 300.406 2.868 0 40 DFAB CCc1cc2c(N3CCCC4(C3)OCCO4)ncnc2s1 83820537 IKRSLUFPRXOMIX-UHFFFAOYSA-N 305.403 2.597 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)N[C@@H]3CCC[C@@H]3O)c2)o1 72292066 GJHDWQFIWGPUAR-KGLIPLIRSA-N 301.346 2.685 0 40 DFAB COc1ccc(N[C@@H](C)c2nnc(C)o2)cc1N1CCCC1=O 71902470 JMYQTSIXHFMQMA-JTQLQIEISA-N 316.361 2.687 0 40 DFAB Cc1nc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(C)s1 72404985 CNMSKRDXMROVMJ-UHFFFAOYSA-N 313.386 2.652 0 40 DFAB O[C@H](CN1CCc2c(ncn2C2CC2)C1)c1cc(F)ccc1F 95373356 NKQFGBHOUJSHMA-QGZVFWFLSA-N 319.355 2.588 0 40 DFAB Cc1ccc(OCc2csc([C@@H]3CCCO3)n2)c(CO)n1 95442476 XKESERZXCNJLOP-AWEZNQCLSA-N 306.387 2.769 0 40 DFAB COC(=O)N1CCC[C@H](N[C@@H]2CCCc3nc(C)sc32)C1 95421611 SRMWOCBBSVETNV-WCQYABFASA-N 309.435 2.649 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)N[C@@](C)(CO)C1CC1)CCO2 95966578 AIMRURPTVKTLPW-YJBOKZPZSA-N 318.417 2.587 0 40 DFAB COc1cccc(CN2CCOC[C@@H]2c2noc(C(C)C)n2)c1 95999989 BPHXJXKAXNLUTK-OAHLLOKOSA-N 317.389 2.775 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)NC(C)(C)c1nccs1 74535672 NAKDDOBFHRIKSW-UHFFFAOYSA-N 321.450 2.730 0 40 DFAB CCc1nc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cs1 89289949 RSEBLVIIYJUKLQ-SWLSCSKDSA-N 321.490 2.832 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2CCC(=O)N2CCCCC2)no1 75573272 XHKXOBJOCHPKOI-AWEZNQCLSA-N 320.437 2.733 0 40 DFAB COC(=O)c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1 409060036 UYWLIWCAHUWKQW-WQLSENKSSA-N 305.355 2.918 0 40 DFAB Cc1ccc(C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1 32379412 QFUIBXRVEDYMOY-UHFFFAOYSA-N 302.418 2.762 0 40 DFAB CC(C)(C)CC(=O)N1C[C@H]2[C@H](CNC(=O)C3CCCCC3)[C@H]2C1 1008714581 IBZJRSSVODMMHZ-PHZGNYQRSA-N 320.477 2.824 0 40 DFAB Nc1ncncc1-c1noc([C@H]2CC[C@@H]2c2ccc(F)cc2)n1 528168668 NVQWBGHBLCLUCM-NEPJUHHUSA-N 311.320 2.909 0 40 DFAB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1nccn1-c1ccccc1 529082294 QNXIIDKVVZTPQW-PXAZEXFGSA-N 312.373 2.561 0 40 DFAB CC(C)N1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216543 PWKWAVOUBYKNBM-KRWDZBQOSA-N 302.466 2.769 0 40 DFAB CSC[C@H](CCO)Nc1nc(-c2cccnc2)nc(C)c1C 78301689 YYQFFCZYGXSKQP-AWEZNQCLSA-N 318.446 2.681 0 40 DFAB O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCCO1 181590545 QKDNRLFNRPCZQN-ONGXEEELSA-N 309.234 2.863 0 40 DFAB O=C1NCCCC[C@H]1SCc1ccc(-n2cccn2)cc1 78555597 AEPFHRNMSDLUBI-OAHLLOKOSA-N 301.415 2.774 0 40 DFAB Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(C)c1 72760909 IZKZGBIHSZEWLC-UHFFFAOYSA-N 319.308 2.548 0 40 DFAB CCOC(=O)CCCSc1nc2oc(C)c(C)c2c(=O)[nH]1 36644075 VOXSEWDVLQWVGF-UHFFFAOYSA-N 310.375 2.568 0 40 DFAB CC(C)(CC(=O)NCCc1nncn1C1CC1)c1ccccc1 78913440 AIYUIRZCKGLMLU-UHFFFAOYSA-N 312.417 2.640 0 40 DFAB CN(CC1CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72251305 RLZAYMJRKVAPAG-WBVHZDCISA-N 318.392 2.604 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1 45952591 SROXIBLJFITNHS-MRVPVSSYSA-N 302.157 2.909 0 40 DFAB CCOC(=O)c1ccc(C)c(NC(=S)NC[C@H]2CCCO2)c1 225318996 AEHMSJFKXVDVQP-CYBMUJFWSA-N 322.430 2.637 0 40 DFAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCCCC1)C2 225495207 BGNZZDKQVXJDQF-KRWDZBQOSA-N 303.450 2.726 0 40 DFAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 225547621 NGYFKOPNESUJHS-UMNHJUIQSA-N 315.822 2.816 0 40 DFAB COCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 198841267 LPMKHHOCLVZMSW-UHFFFAOYSA-N 317.389 2.555 0 40 DFAB CC(C)(C)C(=O)Nc1nn2c(-c3cccc(F)c3)nnc2s1 41076548 XOFVMSOFFJEMOS-UHFFFAOYSA-N 319.365 2.977 0 40 DFAB NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 94992775 PQJYWRCFPZPUOW-UHFFFAOYSA-N 300.339 2.656 0 40 DFAB Cc1noc(-c2ccccc2C(=O)O[C@H](C)[C@@H]2CCOC2)n1 97235857 AYRYWXAUFBFOQI-ZYHUDNBSSA-N 302.330 2.627 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)[C@H]1CCOC1 96494720 LYLRSOQZQUDSBH-SLEUVZQESA-N 322.380 2.764 0 40 DFAB CO[C@@H]1CO[C@@]2(CCN(C(=O)c3oc4ccccc4c3C)C2)C1 96110859 JFNLUWDTWOPWCT-UGSOOPFHSA-N 315.369 2.761 0 40 DFAB Cc1cc(C)c(C(=O)OCc2ncc(C(C)(C)C)o2)c(=O)[nH]1 97374300 CNUKNUGZUZFFSX-UHFFFAOYSA-N 304.346 2.634 0 40 DFAB O[C@@H](CN1CCO[C@H](c2nccs2)C1)c1ccc(Cl)cc1 97199866 GVHMJVWZIPBNBI-KBPBESRZSA-N 324.833 2.903 0 40 DFAB CCO[C@@H]1CO[C@@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 96107586 HIVAONZDQMCTTP-FVXJHOQFSA-N 307.415 2.558 0 40 DFAB C[S@](=O)C[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 96445487 HLNQZNLKDQFFMN-SPLOXXLWSA-N 322.817 2.585 0 40 DFAB CC[C@@H](NCC(=O)NC1CC1)c1ccccc1Br 96492261 OGGCIYXCNHSBQU-CYBMUJFWSA-N 311.223 2.768 0 40 DFAB Cc1csc([C@@H](C)CNC(=O)NCCc2ccncc2C)n1 96502891 WNEUPIIWUIEMSD-LBPRGKRZSA-N 318.446 2.800 0 40 DFAB CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C(N)=O 96404742 AIIIQGBOJLERRW-OLZOCXBDSA-N 308.809 2.604 0 40 DFAB O=S(=O)(c1ccc(F)c(Br)c1)C(F)(F)F 146451767 YLIGTGZWWFYULV-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB in-vitro CCO[C@@H]1C[C@@H](NC(=O)CCc2ccnn2C)C12CCCCC2 97097346 SOCLYNLSIISEMA-HZPDHXFCSA-N 319.449 2.597 0 40 DFAB COC(=O)c1ccc(OCc2cc(Br)no2)cc1 95098314 IUFUACPESDGKRB-UHFFFAOYSA-N 312.119 2.803 0 40 DFAB CCOc1ncccc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 96415126 HOMXWXHWMDMULN-JTQLQIEISA-N 318.377 2.838 0 40 DFAB COc1ccc([C@H](O)[C@H]2N=C(N)S[C@@H]2c2ccccc2)cc1 253560520 AXNGOUSWORRIRG-OWCLPIDISA-N 314.410 2.900 0 40 DFAB O=C(c1ccncc1)N1CCCN(c2ccc(F)c(F)c2)CC1 252511331 ZZCVPBSAWAIDPY-UHFFFAOYSA-N 317.339 2.712 0 40 DFAB C[C@H](CC(=O)O)CC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 578549561 RNUMWCRPQGVCPS-UWVGGRQHSA-N 309.328 2.924 0 40 DFAB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccccc1Cl 585292149 FIMLDMQPAXGHBF-KBAYOESNSA-N 317.816 2.661 0 40 DFAB CN(C)C1(CNC(=O)c2ccc(Br)o2)CCCC1 46707959 AXHOASBDVSLQJO-UHFFFAOYSA-N 315.211 2.646 0 40 DFAB COc1cc(NC(=O)c2cccc3c2OCCO3)ccc1F 189457656 SCHVVLMVWCSEGP-UHFFFAOYSA-N 303.289 2.858 0 40 DFAB CCOC(=S)SCC(=O)NC(=O)Nc1cccc(C)c1 5462399 HHUVPLRTBDUFKO-UHFFFAOYSA-N 312.416 2.698 0 40 DFAB O=C(c1n[nH]c2c1CCCC2)N1CCc2ncc(Cl)cc2C1 12221790 BHGZRHSDOFJUAF-UHFFFAOYSA-N 316.792 2.535 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15645276 VBXLUVVCIZRRIH-IZZDOVSWSA-N 305.341 2.623 0 40 DFAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCC2)cc1 17356400 FQZHWLBQUKLWRP-UHFFFAOYSA-N 316.430 2.929 0 40 DFAB CCn1nc(C)c([C@H](C)NC(=O)c2ccnn2C(F)F)c1C 19523780 IIYICDSNLOMTCU-QMMMGPOBSA-N 311.336 2.602 0 40 DFAB CCCCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 4601178 YMPBEAPUBCZHQY-GHRIWEEISA-N 323.396 2.769 0 40 DFAB O=C(OCc1ccccc1)C(F)C(=O)OCc1ccccc1 100468923 FWNITJYYNOTRCY-UHFFFAOYSA-N 302.301 2.811 0 40 DFAB in-vitro C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101986738 AHBGVVDLUMLZGI-FGJLJETESA-N 305.418 2.674 0 40 DFAB O=C(O)[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC12CCC2 575606860 GFAZVOZAMRLBIJ-JTQLQIEISA-N 300.280 2.792 0 40 DFAB Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)s1 8504416 YEWGBJTVGMBYCF-UHFFFAOYSA-N 309.416 2.560 0 40 DFAB c1cnc(OCC2CCN(c3ncnc4ccccc34)CC2)nc1 1888970063 SHFOKHNDXFLQCM-UHFFFAOYSA-N 321.384 2.715 0 40 DFAB O=C(CCNC(=O)c1ccccc1)Nc1cccc2ncccc12 14791792 YMXLQMDVPGBBNU-UHFFFAOYSA-N 319.364 2.993 0 40 DFAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1 32517526 BBEDYCNHOIPLPP-UHFFFAOYSA-N 304.733 2.955 0 40 DFAB C[C@@H](O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCCO2 13946024 CQUOTDODNNCHDU-SNVBAGLBSA-N 317.316 2.903 0 40 DFAB COC1(CNc2ncnc3cnccc23)Cc2ccccc2C1 1775971681 SQVCODJFVVBVKH-UHFFFAOYSA-N 306.369 2.621 0 40 DFAB CCOC(=O)c1ccc2nc(NC(=O)c3ccno3)sc2c1 9625335 VKQLWJHFHCQOSP-UHFFFAOYSA-N 317.326 2.713 0 40 DFAB Cc1nc(CSCC(=O)N[C@H](C)c2ccccc2C)no1 40117647 JSTGNEQWMXWPHP-LLVKDONJSA-N 305.403 2.797 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40089871 IJGXAWKARWGYBU-ZDUSSCGKSA-N 319.380 2.692 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cn1 31156185 WHJZAWGKNQZNME-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB CC(=O)Nc1sc(N2N=C(C)CC2=O)nc1-c1ccccc1 101412025 NAJVQFXLQLTKSP-UHFFFAOYSA-N 314.370 2.881 0 40 DFAB NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 32277926 HQNQGTXGCBGFQR-HNNXBMFYSA-N 310.357 2.550 0 40 DFAB O=C(Nc1nncs1)c1ccc(NC(=O)c2ccco2)cc1 21214748 VUOMQLGASBUWLW-UHFFFAOYSA-N 314.326 2.636 0 40 DFAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1CCC1 29804684 NLUFONIKPGOLIJ-MRXNPFEDSA-N 322.836 2.630 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)NCC2(N(C)C)CCCC2)c1 46701577 KYVWGXWWQNPGNL-OAHLLOKOSA-N 304.434 2.753 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)c(=O)[nH]1 87412673 YISKONGOFOTCMD-YWZLYKJASA-N 322.408 2.626 0 40 DFAB CCN(CC)C(=O)c1cccc(OC(=O)c2cccn2C)c1 76021922 NEXUEHUDAYIFAU-UHFFFAOYSA-N 300.358 2.726 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1ccsc1 78963919 FULGXMBOMHWKCW-OAHLLOKOSA-N 318.354 2.634 0 40 DFAB Cc1cccc2nc(CNC(=O)N3C[C@H]4CC=CC[C@@H]4C3)cn12 78942319 JRFWPGSNYIUHKA-HUUCEWRRSA-N 310.401 2.750 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 78976289 DLJBLXQDIRRBNK-ZIAGYGMSSA-N 300.333 2.575 0 40 DFAB COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 2136992 CLKYLHQFRPESRB-SJORKVTESA-N 303.358 2.756 0 40 DFAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Cc1cccc2cccnc12 79107524 YWBWHPQYARZESH-XJKSGUPXSA-N 324.380 2.999 0 40 DFAB Cc1cccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)c1 420116 FPGLFLGPMUVBOL-UHFFFAOYSA-N 324.409 2.820 0 40 DFAB CC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 426905 UISFMNZACUZOOH-JTQLQIEISA-N 315.398 2.746 0 40 DFAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 4411358 QHVSPDDUZCPQEA-CYBMUJFWSA-N 304.390 2.671 0 40 DFAB O=C(NCc1cccnc1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4458545 WQJDSAQIXADWTR-OAHLLOKOSA-N 315.760 2.544 0 40 DFAB Cc1nc(N2CCNCC2)c2c3c(sc2n1)C[C@@H](C)CC3 4848708 SVALUENWPLKUMZ-JTQLQIEISA-N 302.447 2.534 0 40 DFAB COc1ccc(-c2noc(CCC(=O)NCCC(C)C)n2)cc1 4933252 PWFHAFWHVAUFCJ-UHFFFAOYSA-N 317.389 2.840 0 40 DFAB O=C(O)CCC(=O)Nc1cccc(-c2cn3ccccc3n2)c1 502295 JNVUHZNWKJDECG-UHFFFAOYSA-N 309.325 2.805 0 40 DFAB COC(=O)c1sccc1NC(=O)c1noc2c1CCCC2 7000275 OMDAKBONCSOONX-UHFFFAOYSA-N 306.343 2.654 0 40 DFAB COc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 534864 KJDGPHXWBQCUBB-GOSISDBHSA-N 311.337 2.806 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1 7976263 GGDNTMISIUSVTF-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB C[C@@H]1Oc2ccccc2N(CC(=O)OC2CCCCC2)C1=O 22189520 CGPVPEFFZZHGDS-LBPRGKRZSA-N 303.358 2.676 0 40 DFAB C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccccc1 58264544 HKDWIACYHVMFOP-WBMJQRKESA-N 302.349 2.920 0 40 DFAB CCOc1ccccc1CNc1ncc(C(N)=O)cc1Cl 53577677 RUHNZMFOJCMOCR-UHFFFAOYSA-N 305.765 2.845 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccc(F)cc1 69983044 QLWASTUMNLWALK-ZWKOTPCHSA-N 320.408 2.680 0 40 DFAB Cc1ccsc1C(=O)NCc1ccc(N2CCCC2)nc1 23101299 FIUCKINOHIKSIK-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)NCCCOc1ccccc1 54670430 XQDSUPMFFZXDGM-UHFFFAOYSA-N 307.781 2.581 0 40 DFAB Cc1noc(C)c1COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 25104112 PZTATYCCTSCKCY-AWEZNQCLSA-N 307.733 2.992 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2sccc2C)c1 3235138 GCTPMTIBWOTHOI-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB c1cc(CN2CCN(Cc3ccncc3)CC2)c2cc[nH]c2c1 97138989 JQBQIDWNTGVWDU-UHFFFAOYSA-N 306.413 2.881 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 3247244 XBOOASRZFDIBMV-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CCC[C@@H](C)C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 3253630 BMXHMGJETGVIKM-LLVKDONJSA-N 306.362 2.563 0 40 DFAB CCN(C)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1 58003477 RROXNOGMSMDZOH-UHFFFAOYSA-N 303.450 2.745 0 40 DFAB COc1ncccc1C(=O)N1CCc2[nH]c3ccccc3c2C1 58016567 ODAPSIQKZNBRQF-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB COc1ccc(C(=O)N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100599273 VIFMFBHTJUIBPY-KYJSFNMBSA-N 314.429 2.642 0 40 DFAB O=C(COC(=O)c1ccccc1F)Nc1c(F)cccc1F 3394489 QVAVASNCQCZGJA-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB COc1ccc(C(=O)NCCOc2c(C)cccc2C)c(O)c1 58381493 NYZWQRSOBSZGHM-UHFFFAOYSA-N 315.369 2.826 0 40 DFAB CCCn1c(NC(=O)c2ccc(C(N)=O)cc2)nc2ccccc21 10652733 UJVCGPLZRHNDLW-UHFFFAOYSA-N 322.368 2.798 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)O 36359873 VPTUZORKVKEXPC-BZNIZROVSA-N 320.364 2.786 0 40 DFAB COc1ccc(OC)c(CNC[C@H](O)c2ccc(F)cc2)c1 58626389 RFRJYKQLQXEKOE-INIZCTEOSA-N 305.349 2.666 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)C(F)(F)c1ccccc1 28405340 PBPXNHGEADUSNH-MRVPVSSYSA-N 318.534 2.583 0 40 DFAB O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1cccs1 45743781 DRZDKZXCDLNJQV-CYBMUJFWSA-N 322.455 2.553 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCc2ccccn2)C1 65253003 WWDWFIXNFOIAGE-HZPDHXFCSA-N 303.450 2.641 0 40 DFAB Cc1csc(=O)n1CCSc1nnc(-c2ccco2)o1 8921740 PSZCBVIUCFEJCH-UHFFFAOYSA-N 309.372 2.654 0 40 DFAB CCO[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)n2cccn2)C1 65604314 VNIVLAYLOLHBLC-IAGOWNOFSA-N 313.401 2.500 0 40 DFAB C[C@@H](NC(=O)Nc1nc(-c2ccccc2)ns1)[C@H]1CCCO1 65788445 QUGNLHBZHJFUCS-ZYHUDNBSSA-N 318.402 2.894 0 40 DFAB Cc1nn(CCO)c(C)c1CN[C@H](C)C(C)(C)c1ccccc1 71794751 GMQJWYLWCZRLLK-MRXNPFEDSA-N 315.461 2.948 0 40 DFAB Cc1c(C)n(CCN(C)C)c2ncn(Cc3ccccc3)c(=N)c12 6756857 TWMBWOGGCQLXEK-UHFFFAOYSA-N 323.444 2.544 0 40 DFAB Cc1cc(C)n(Cc2cccc(NC(=O)Nc3cn[nH]c3)c2)n1 66594979 BGHSMSXKEONJRS-UHFFFAOYSA-N 310.361 2.915 0 40 DFAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1F 7057347 GAIHBHBTWOPWJH-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218518912 TWJKISVPJIDOMZ-BRWVUGGUSA-N 301.411 2.516 0 40 DFAB CCCNc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F 71318611 LYRUNHNPCAIEDW-UHFFFAOYSA-N 310.300 2.820 0 40 DFAB NC(=O)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 7458849 WPMKBTPIXITCFC-UHFFFAOYSA-N 319.792 2.692 0 40 DFAB CN1CCC(C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 81029578 FZMLIRTYEOYPDQ-SFHVURJKSA-N 309.413 2.629 0 40 DFAB CC(C)c1nc([C@H]2CN(C(=O)c3ccccc3F)CCO2)no1 96000834 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C[C@@H]1COCCN1C(=O)c1cnc2c(F)c(Cl)ccc2c1O 71911632 TYNVQJNDKZECRY-MRVPVSSYSA-N 324.739 2.594 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 9690380 PUJGJGHQSFGWAD-SECBINFHSA-N 323.443 2.888 0 40 DFAB CO[C@@H](C)COC(=O)c1ccc(-n2cnc3ccccc32)nc1 97033179 RJBIQGJHRQROII-LBPRGKRZSA-N 311.341 2.612 0 40 DFAB Cc1nc(C[S@@](=O)Cc2nnc(C(C)(C)C)o2)sc1C 97083656 CYDNPUIRRBHYJV-HXUWFJFHSA-N 313.448 2.889 0 40 DFAB CC(C)COC[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 84544411 UJZDVZPMAXFWOF-ZDUSSCGKSA-N 307.390 2.639 0 40 DFAB Cc1ccc(CNCc2nnc3n2CCC[C@@H]3C(F)(F)F)o1 95402047 GIBHOPOVJMDSCQ-NSHDSACASA-N 314.311 2.909 0 40 DFAB CCOc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1cnn(C)c1 95435345 BIOKODXSSFGNGG-NSHDSACASA-N 323.343 2.788 0 40 DFAB CCOc1ncccc1NC(=O)c1nc(C)n2c1CCCC2 84802929 QEYDFZBQEZNDIE-UHFFFAOYSA-N 300.362 2.574 0 40 DFAB Cc1cccc([C@H]2CCCN2C(=O)NCCC(=O)N(C)C)c1C 73742989 LXJYWVXHLAHDPT-MRXNPFEDSA-N 317.433 2.628 0 40 DFAB COC(=O)c1ccc(OC)cc1NCc1nccn1C(F)F 85277202 PQNZTUSABIGNPU-UHFFFAOYSA-N 311.288 2.686 0 40 DFAB CC(C)C[C@H](N[C@@H]1CCCC1(C)C)C(=O)N1CCC(CO)CC1 95967887 BZLGXMCORLPLBF-DLBZAZTESA-N 324.509 2.800 0 40 DFAB COC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 88784722 HIDYIRGTGOBXKF-LBPRGKRZSA-N 322.380 2.790 0 40 DFAB Cc1ncsc1CC[S@@](=O)c1ccc2c(c1)OCCCO2 89565507 BNZKNYFUIWREBY-NRFANRHFSA-N 323.439 2.963 0 40 DFAB CN(C(=O)Nc1cccnc1)[C@@H]1CCCN(c2ccccc2)C1=O 75139914 XTWHXSBXUMWYAT-MRXNPFEDSA-N 324.384 2.741 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)nc1 27974334 GEMWAMZHEBWSDJ-NSHDSACASA-N 300.314 2.525 0 40 DFAB CC(C)CNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612036 AJMSWICSRKRXMA-UHFFFAOYSA-N 322.836 2.964 0 40 DFAB Cc1nccn1Cc1ccc(C(=O)NCc2cccnc2)cc1 38849990 YNPKAMARZFVSGO-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB O=C1[C@@H](Cc2cccc(Cl)c2Cl)SC2=NCCN12 36636003 WCPXVZQTUNZTKJ-SECBINFHSA-N 301.198 2.850 0 40 DFAB C[C@@H]1CN(C(=O)Nc2cnsn2)CC[C@@H](c2ccccc2)O1 1553301360 DSTKTWWOXKIQRK-YPMHNXCESA-N 318.402 2.922 0 40 DFAB CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1N(C)Cc1ccccc1 79415772 MAXBEYWPSYQWFY-SQNIBIBYSA-N 317.477 2.529 0 40 DFAB COc1ccccc1NC(=O)c1nn(C)c(C)c1Br 32648337 XEVDMZVEGUUTRG-UHFFFAOYSA-N 324.178 2.752 0 40 DFAB Cc1cccc2c1CC[C@@H]2NC(=O)N(C)C[C@H]1CCC[C@H]1O 535120407 HLFPYMNLZIIBHO-XOKHGSTOSA-N 302.418 2.785 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)NCC(F)(F)F)CC1 185228570 WECPCKNEXRYAFP-SNVBAGLBSA-N 321.368 2.699 0 40 DFAB CO[C@@H](C(=O)N[C@H](C)c1c(C)nn(C)c1C)c1ccccc1 78996719 FSDHBAUWFCUQKU-BDJLRTHQSA-N 301.390 2.602 0 40 DFAB Cc1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 32833307 DGHYFJRZHZCEFW-UHFFFAOYSA-N 304.306 2.893 0 40 DFAB O=C(O)CSC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79392138 FNLGPSHWIQFKSU-AWEZNQCLSA-N 323.414 2.996 0 40 DFAB CC[C@H]1CCC[C@@H](NC(=O)N2CCC(OCCOC)CC2)C1 77610812 AYOFDSDRUYIFRQ-LSDHHAIUSA-N 312.454 2.792 0 40 DFAB O=C1C[C@@H](c2cccnc2)c2c(ncn2-c2ccc(F)cc2)N1 66091718 MAFWXQVGMVFYBF-AWEZNQCLSA-N 308.316 2.881 0 40 DFAB CN(C)c1cccc([C@@H]2CCCN2Cc2cc(=O)c(O)co2)c1 75838770 DWMLUXKNJPQIJB-INIZCTEOSA-N 314.385 2.749 0 40 DFAB O=C(CN[C@H](c1ccccc1)C1CCCC1)NC1CCOCC1 78923041 ZPNMKOIGTJWUPJ-LJQANCHMSA-N 316.445 2.803 0 40 DFAB C[C@@H](c1ccncc1)N1CCN(C(=O)CC2CCCC2)CC1 71896954 FKNPDLZVVXCMJE-HNNXBMFYSA-N 301.434 2.867 0 40 DFAB CCC[C@@H](C)[C@H](CO)NC(=O)CSc1ccc(OC)cc1 566372354 NVHAZOPIJQTSLL-DOMZBBRYSA-N 311.447 2.701 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241847 CSJXRXXHQHYOOM-HOCLYGCPSA-N 306.381 2.604 0 40 DFAB NC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1 83468462 LBALLDSPMBGGRZ-UHFFFAOYSA-N 322.459 2.504 0 40 DFAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCCc1c[nH]c3ccccc13)C2 225517380 UEETVANOIYUMNE-ZDUSSCGKSA-N 322.412 2.663 0 40 DFAB Cc1cc(F)ccc1C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530075467 KEHZIHZWQDVNKO-CQSZACIVSA-N 301.321 2.607 0 40 DFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 75170361 YDKHEVHLYRXVSV-OAHLLOKOSA-N 321.465 2.679 0 40 DFAB Cc1noc([C@H]2CN(C(=O)c3ccco3)C[C@H]2c2ccccc2)n1 225806952 JEWTXBXFURSSQQ-GJZGRUSLSA-N 323.352 2.994 0 40 DFAB Cc1ncc(C(=O)Nc2ccc(Br)cc2F)cn1 222589109 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CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)CC12CCOCC2 96052091 WZCUQMQYDXPKGR-HNNXBMFYSA-N 322.474 2.501 0 40 DFAB O=C(C1=CCCC1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96106038 PONMOHCSZYIDHE-QGZVFWFLSA-N 319.445 2.921 0 40 DFAB Cc1ccc(CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)s1 96430614 BTQIISJLCVVRLL-SNVBAGLBSA-N 312.435 2.976 0 40 DFAB COc1ccc(C[C@H]2CN(c3ncccn3)CC[C@H]2OC)cc1 96110239 LFZCGBWQHOGJSL-DOTOQJQBSA-N 313.401 2.569 0 40 DFAB Cc1cc(NCc2ccc(CO)o2)ccc1C(=O)NC(C)C 97235441 XPCXWNWMKKIBIC-UHFFFAOYSA-N 302.374 2.831 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(-n2ccnn2)cc1)c1cccnc1 96403453 LJRJZBOBDGQJES-GFCCVEGCSA-N 308.345 2.545 0 40 DFAB CCN(CC)C(=O)C[C@@H]1CC2(CCNCC2)Oc2ccccc21 140478943 WGRUWWXVXPRWKH-OAHLLOKOSA-N 316.445 2.933 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCS[C@H](C(C)C)C2)ccc1F 96432258 RTJWHOVTBVHLOZ-HNNXBMFYSA-N 324.421 2.998 0 40 DFAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCCc1ccccc1 245231857 KOYFQSLTABANRV-MWDXBVQZSA-N 313.397 2.648 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(c3ccccn3)C2)n1 257274282 NKIQSKHZDWHIAS-CQSZACIVSA-N 320.400 2.954 0 40 DFAB CCn1cc(CN2CC[C@H](c3cc(NC)cc(C)n3)C2)c(C)n1 257336650 YPJPCZIKSDEOJZ-HNNXBMFYSA-N 313.449 2.946 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]2O)o1 257220905 DMSRRQRPEJXDIO-HUUCEWRRSA-N 301.342 2.648 0 40 DFAB CNc1cc([C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)ccn1 257339750 ZDANEQYRPZHAHO-MRXNPFEDSA-N 313.449 2.853 0 40 DFAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1Cc1cncs1 585099943 ASVIYRNKZGABFC-QGZVFWFLSA-N 319.474 2.900 0 40 DFAB O=Cc1c(I)cc(Cl)nc1Cl 1535645742 INXWDQLSOMJGLG-UHFFFAOYSA-N 301.898 2.806 0 40 DFAB CC(C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 56479394 SJWKXUSNKRXHGW-UHFFFAOYSA-N 301.434 2.813 0 40 DFAB Clc1ccccc1Cn1cc(CNCCn2cccn2)cn1 69946772 ZYHYSGHOXPWOBC-UHFFFAOYSA-N 315.808 2.571 0 40 DFAB CCc1noc(CC)c1Cc1nc(-c2ccnc(OC)c2)no1 88337446 SDFGXSZZORUUGE-UHFFFAOYSA-N 314.345 2.844 0 40 DFAB COC(=O)c1ccccc1NC(=O)CSc1ccccn1 249996 RQXRZTHBHUMLKF-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB O=C(c1ccccn1)N1Cc2ccccc2OC2(CCOCC2)C1 12121744 IVCMULNRMBEJGG-UHFFFAOYSA-N 324.380 2.666 0 40 DFAB COc1c(C(=O)N[C@@H]2CCCOC2)cnc2cc(Cl)ccc12 12143756 ZNFLMXYCSMYKDM-LLVKDONJSA-N 320.776 2.806 0 40 DFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccco3)c12 14815092 QBCUSVGSIQVGIM-UHFFFAOYSA-N 310.357 2.677 0 40 DFAB Cc1ccc(Cl)c(S(=O)(=O)NCc2cccc(N)c2)c1 158284100 VBDNJBVHGHASJT-UHFFFAOYSA-N 310.806 2.709 0 40 DFAB Cc1cc(C)c2ccc(N3CCC[C@H](NC(=O)C4CC4)C3)nc2n1 1889109990 NNXAFQPGBYWJEC-HNNXBMFYSA-N 324.428 2.742 0 40 DFAB CCc1nnc(C2CCN(Cc3nc(C(C)C)no3)CC2)s1 2086860335 MRIYSAJLJBIQKD-UHFFFAOYSA-N 321.450 2.987 0 40 DFAB O=C(c1ccccc1)N1C[C@H]2CC[C@H]1CN2C(=O)c1ccccc1 104190256 UXMQOMVOTBFRSO-HDICACEKSA-N 320.392 2.816 0 40 DFAB CS(=O)(=O)Nc1ccccc1C1=NN[C@@H](c2cccs2)C1 31810865 QQWDXTCJTDJYCE-CYBMUJFWSA-N 321.427 2.558 0 40 DFAB CC(C)c1ccc([C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 51261154 KHZPRQPZUXZUGJ-YESZJQIVSA-N 313.397 2.795 0 40 DFAB COCc1cccc(C(=O)Nc2cccnc2-n2cccn2)c1 31950998 NBIJYTTYSXVJDK-UHFFFAOYSA-N 308.341 2.666 0 40 DFAB CCOc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1C 101354777 XPHQZCOGYCMVOA-MRXNPFEDSA-N 315.417 2.872 0 40 DFAB COCc1ccccc1CNS(=O)(=O)c1cc(C)ccc1F 32418656 ZALPXXOJYVGJRN-UHFFFAOYSA-N 323.389 2.759 0 40 DFAB COC1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 46182344 SUFPYAAICXXVIN-UHFFFAOYSA-N 317.307 2.879 0 40 DFAB Cc1nc2c(cc1C(=O)N[C@@H]1CCC[C@H](C)C1)c(C)nn2C 32809372 JCIDDFCYQQLFSG-GXFFZTMASA-N 300.406 2.894 0 40 DFAB CS[C@H](C)C(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76060382 GOONBFLHEBTBKB-BDAKNGLRSA-N 321.368 2.886 0 40 DFAB Nc1nccnc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 78646733 FNYJWSLXAWRVLH-UHFFFAOYSA-N 318.336 2.542 0 40 DFAB Cc1cccc([C@@H](C)S(=O)(=O)c2nnc(C(C)C)n2C)c1 78807682 WYGWSXXUKUMAOX-GFCCVEGCSA-N 307.419 2.782 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1 32925841 VXHTVFSBDIHENJ-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CCCCn1c(Cc2ccccc2)nnc1SCC(=O)NC 4161283 SHXGALRGXZPUQE-UHFFFAOYSA-N 318.446 2.507 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 69949810 JGACYBDGYHUZEX-LSDHHAIUSA-N 319.449 2.947 0 40 DFAB COc1cccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678547 DIZUGBBYDMWLGI-NOZJJQNGSA-N 303.387 2.890 0 40 DFAB CCCc1nnc2sc(NC(=O)c3ccccc3F)nn12 6818107 UFLRRXARJLHDMR-UHFFFAOYSA-N 305.338 2.530 0 40 DFAB COC[C@@H](C)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 7349340 PULZUVKQWOACBV-GFCCVEGCSA-N 317.385 2.842 0 40 DFAB Cc1ccc(NC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nn1 69951491 QSQMVQBLIMEHOH-CQSZACIVSA-N 300.406 2.544 0 40 DFAB C[C@@H]1CCCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 69948998 DLEAQESHZNNUQM-SZNDQCEHSA-N 308.447 2.519 0 40 DFAB c1ccc2c(c1)OC[C@H](c1nnc(NCc3cncs3)o1)O2 97114494 TUZWMKOZTZIKJI-GFCCVEGCSA-N 316.342 2.651 0 40 DFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)C1CCOCC1 21901886 BXUTUTSFFGPBAV-UHFFFAOYSA-N 324.808 2.542 0 40 DFAB C[C@@H](CNC(=O)c1cccc2cn[nH]c12)N(C)c1ccccc1 46836978 GHGGVJVHSNTEAL-ZDUSSCGKSA-N 308.385 2.818 0 40 DFAB COc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1OC 47178715 PXMBYTCDVMZDDY-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB C[C@H](NC(=O)NCCC1(C)OCCO1)[C@@H](C)c1ccccc1 97115808 VGKLHTIHMPNZJP-KGLIPLIRSA-N 306.406 2.631 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)CCc1nc(C(C)(C)C)no1 104400162 HDUDYBLPSDPXFC-QGOAFFKASA-N 316.405 2.751 0 40 DFAB NC(=O)[C@@H](c1ccccc1)N1CCC(OCc2ccccc2)CC1 54618805 LNKUGOFHYGOVLE-LJQANCHMSA-N 324.424 2.894 0 40 DFAB COC(=O)[C@@H]1Cc2c([nH]c3cc(OC)ccc23)[C@H](CC(C)C)N1 34264799 GFAFAJSUIGSPDS-HOTGVXAUSA-N 316.401 2.951 0 40 DFAB Cc1nnc(SCn2c(=S)sc3ccccc32)[nH]c1=O 9668853 ZIEWVQSAYWUHFZ-UHFFFAOYSA-N 322.440 2.969 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccccc1Br 37503717 PUDLSXAQXLINRP-UONOGXRCSA-N 323.234 2.806 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)NCc3ccccc3)cc2NC1=O 25094928 DDZNOFVWIVPPQG-NSHDSACASA-N 311.341 2.728 0 40 DFAB Cc1cc(CN(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)no1 25137515 MDQBZNVARXFLHY-AWEZNQCLSA-N 306.749 2.599 0 40 DFAB CN(C)[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 35153464 OPWDKAORORFJRA-JTQLQIEISA-N 313.587 2.813 0 40 DFAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@@H](O)C1 26241905 VEASNGXAFGYDPA-CYBMUJFWSA-N 319.332 2.595 0 40 DFAB CC(C)[C@@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016739 PMAIDJCXMWDCBH-LLVKDONJSA-N 314.393 2.841 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)n(C)n1 58331543 XJSYGFIXPVHJTO-LBPRGKRZSA-N 315.421 2.547 0 40 DFAB Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 58357744 GNXNJKJSFIYESX-XMHCIUCPSA-N 320.414 2.876 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)Cc1n[nH]c(=O)c2ccccc12 25344410 PSNJIRKXQWJFKH-ZDUSSCGKSA-N 315.417 2.797 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1c1ccccc1F 3357690 VCIGLHIYHBRADS-HNNXBMFYSA-N 312.369 2.884 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)Cc2csc(N3CCCC3=O)n2)C1 45205370 SSEXFOHANSRYIK-VXGBXAGGSA-N 321.446 2.507 0 40 DFAB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 2382961 HVDHUXGWPOEUTP-XFXZXTDPSA-N 322.386 2.561 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)OC 59649390 UGIFDBSBKHFPRX-ABAIWWIYSA-N 300.358 2.552 0 40 DFAB O=C(CN1CCc2sccc2C1)NCCc1ccc(F)cc1 12825164 IWTLTULPXWMWSU-UHFFFAOYSA-N 318.417 2.604 0 40 DFAB O=C(CSc1ccccc1F)NC(=O)NCc1ccccc1 3473330 LRPPSKWRCXFPHS-UHFFFAOYSA-N 318.373 2.944 0 40 DFAB COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2C(C)C)cc1 3481754 UHHUIRAJVLZYNR-SNVBAGLBSA-N 320.418 2.501 0 40 DFAB COc1ccc(CC(=O)OCC(=O)Nc2cccc(C)c2)cc1 3436465 YBWTWSSBYPSCKR-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB O=C(NCc1ccccn1)c1ccc(Cn2cc(Cl)cn2)o1 27982160 DNIPSXRXIMIBBI-UHFFFAOYSA-N 316.748 2.503 0 40 DFAB CN1CC[C@](O)(c2cccs2)[C@@H](C(=O)c2cccs2)C1 13152899 IZGIMADVKMVTHI-IAQYHMDHSA-N 307.440 2.832 0 40 DFAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CC(=O)N3C)s1 38706357 ZLDPJGSZTNJMEE-UHFFFAOYSA-N 301.371 2.531 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2Cc2nnc(C3CC3)o2)c1 69845912 VJCGKHSXFIGGCX-CQSZACIVSA-N 301.394 2.507 0 40 DFAB COc1ccc(NC(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)cc1 69814614 IAYPGHUYHKZSQG-DLBZAZTESA-N 318.417 2.667 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1OCC(F)F 69849329 MFPJNDWHCYXJTH-GFCCVEGCSA-N 314.332 2.628 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 4290617 HHLPOCSOIUIVAT-UHFFFAOYSA-N 314.746 2.694 0 40 DFAB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 8747546 DRECVCURAFKMGX-LRDDRELGSA-N 313.401 2.622 0 40 DFAB CCCCc1ccc(Nc2ncccc2S(N)(=O)=O)cc1 65183153 BFJIFBPCKINSMN-UHFFFAOYSA-N 305.403 2.815 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCNC3)cc2)cc1 65371381 BEZCFLYVVNGWSR-OAHLLOKOSA-N 323.396 2.795 0 40 DFAB CN1C(=O)S[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1=O 4450724 VHIMYRAWKPWZEO-MRVPVSSYSA-N 306.265 2.648 0 40 DFAB O=C1c2ccccc2C(=O)N1CCSC[C@@H]1CCCCO1 65541475 DNHMEBJCJQIGHK-LBPRGKRZSA-N 305.399 2.585 0 40 DFAB C[C@H](CNC(=O)COC(=O)c1cccs1)c1ccccc1 5636064 JULDFGGHWKCMPA-GFCCVEGCSA-N 303.383 2.825 0 40 DFAB CCc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 7057510 BLNRDKPUBPFMRG-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB CCCN(C(=O)CCN1CCCC1=O)[C@H]1CCc2ccccc21 71793590 XQRJFPQGXNKEDJ-KRWDZBQOSA-N 314.429 2.925 0 40 DFAB COc1ccc(C(=O)NCC(=O)Nc2cc(F)ccc2C)cc1 7781360 AFFVFWVTQPEUJJ-UHFFFAOYSA-N 316.332 2.511 0 40 DFAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccnc3)cc2c1 9233787 DQZDEYVZSUSDTE-UHFFFAOYSA-N 307.353 2.504 0 40 DFAB CCCCN1C(=O)c2ccc(C(=O)NC3CCCC3)cc2C1=O 8082124 VMUYXJBRWITIBW-UHFFFAOYSA-N 314.385 2.755 0 40 DFAB CO[C@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)c1ccccc1 79310650 HVYUWWRJHKBJAS-HNNXBMFYSA-N 308.341 2.798 0 40 DFAB COc1ccc(CNC(=O)c2cc(C)ccc2OC)cc1OC 8134194 MNBZBTGTQPZQNY-UHFFFAOYSA-N 315.369 2.951 0 40 DFAB Cc1cnn(CCN[C@@H](C)c2nnc(-c3cccs3)o2)c1 70004998 NLVZJVLNRBSSCF-NSHDSACASA-N 303.391 2.654 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1 8429524 ZOPPXTJNGKGMDG-UHFFFAOYSA-N 315.373 2.634 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)COC3)c1 71869956 MSCAVDJUYZIINN-KRWDZBQOSA-N 311.385 2.527 0 40 DFAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1CCCC1 9750221 KTZCJDBAPNESLV-QMMMGPOBSA-N 322.459 2.813 0 40 DFAB CCc1cccc(OC[C@H](O)CNC[C@@H]2CCCCS2)c1 97014509 UAMUBOIIRGSFGC-WBVHZDCISA-N 309.475 2.864 0 40 DFAB CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 97054856 UKURWWJTIGOYHO-NWDGAFQWSA-N 312.435 2.703 0 40 DFAB O=C1C[C@@H](C(=O)OCc2ccnc(Cl)c2)c2ccccc2N1 72271775 ORAIBXSLHIFTCX-GFCCVEGCSA-N 316.744 2.904 0 40 DFAB Cc1ccc(F)c(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)c1 72235622 XYMKDEASYKZXSW-AWEZNQCLSA-N 316.380 2.820 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1(C)C 72234773 ANXVCLJQGLJTOY-RRFJBIMHSA-N 302.422 2.680 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 84697610 CSDCIZVAPJPMLB-AEFFLSMTSA-N 316.445 2.536 0 40 DFAB O=C(Nc1nc(-c2ccoc2)n[nH]1)c1c(F)cc(F)cc1F 84618087 HPLQIVWTJQFDQT-UHFFFAOYSA-N 308.219 2.734 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cc3cc(C)c(C)cc3o2)[nH]c1=O 95408382 VMAQNTUIAYSWRK-SNAWJCMRSA-N 323.352 2.663 0 40 DFAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1C[C@H]1c1ccccc1 95444869 NHCVQMYHATUTQG-ROUUACIJSA-N 318.380 2.895 0 40 DFAB CC(=O)N1CCCc2cc(NCc3ccc(CO)o3)ccc21 95428959 OBAAAUXYBATRTD-UHFFFAOYSA-N 300.358 2.683 0 40 DFAB Cc1csc(CN2CCC(NC(=O)c3ccsc3)CC2)n1 88579783 FEKXOASFQQVXCQ-UHFFFAOYSA-N 321.471 2.907 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccc1=O 95953243 AYSWCYMQKUKOOF-KRWDZBQOSA-N 310.397 2.623 0 40 DFAB CNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 95964772 ZDLYRFIJNFGIHJ-SECBINFHSA-N 320.389 2.727 0 40 DFAB CCc1c(C(=O)NC2(C(=O)O)CCCCC2)[nH]c(C)c1C(C)=O 95953214 VSDNATYJWKPYKL-UHFFFAOYSA-N 320.389 2.605 0 40 DFAB CSC[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 74326967 HMOMSRNFTQEDGU-QWHCGFSZSA-N 318.446 2.984 0 40 DFAB COc1ncccc1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 89420711 KZETZJPTJHEWQJ-OLZOCXBDSA-N 318.323 2.788 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](N[C@H](C)CS(C)(=O)=O)CCCO2 89633350 KBCIKVLXZIFMQS-UKRRQHHQSA-N 311.447 2.540 0 40 DFAB O=C(Nc1ccc(F)cc1)c1ccc(CN[C@H]2CCOC2)cc1 89787898 MXIILXKLWMKHHH-KRWDZBQOSA-N 314.360 2.957 0 40 DFAB O=C(NCCc1cccnc1)c1c[nH]nc1-c1ccccc1F 89821236 PIXNFXJNEMQVST-UHFFFAOYSA-N 310.332 2.583 0 40 DFAB C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)C[C@H](C)S1 89842053 MUZBXVZWSSUGMS-UWVGGRQHSA-N 316.373 2.692 0 40 DFAB CC(=O)Nc1cccc(NC(=O)N2CCOC[C@@H]2C2CC2)c1C 89856864 VJMFHAAPOPTOET-MRXNPFEDSA-N 317.389 2.596 0 40 DFAB COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)CCN1C 36131882 XYAHAZWRYUFFES-AWEZNQCLSA-N 316.426 2.886 0 40 DFAB C[C@](O)(CNC(=O)CCSc1ccccc1)c1ccco1 75156220 NTRWDVSQTWOXHR-INIZCTEOSA-N 305.399 2.786 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1C 120367771 WHUWOVDWJXVKOJ-LLVKDONJSA-N 314.389 2.982 0 40 DFAB Cc1cc(NC(=O)[C@H](C)SCc2noc(C(C)(C)C)n2)on1 78555738 WPOBBSRYZIYSIC-VIFPVBQESA-N 324.406 2.924 0 40 DFAB COc1ccccc1NC(=O)CCCc1nnc2ccccn12 72402687 OUUHYKGCQMLMQZ-UHFFFAOYSA-N 310.357 2.699 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@@H]2c2cccc(F)c2)cc1 218571129 UPITURDJJDGSDJ-IXDOHACOSA-N 320.385 2.682 0 40 DFAB CC(=O)N1CCC[C@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 72365856 AQKIBAKTBVKXFJ-SFHVURJKSA-N 310.397 2.967 0 40 DFAB CC(C)Sc1ccc(N(C)Cc2cccc(C(N)=O)c2)nn1 79052503 VBVZEPUSTFVFNO-UHFFFAOYSA-N 316.430 2.712 0 40 DFAB Cc1[nH]c2ccccc2c1C1CCN([C@H](C)c2nnnn2C)CC1 188848187 MYFWIZOZJYNYPL-CYBMUJFWSA-N 324.432 2.940 0 40 DFAB COc1ccc(N(C)C(=O)c2ccc(OC)c(OC)c2)cc1 222934154 AXOAYGUWGQVXNB-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB CCOCCCNC(=S)Nc1ccc(C(=O)OCC)cc1C 225370683 JQMYCRSNJKIYNT-UHFFFAOYSA-N 324.446 2.885 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Cl)c(F)c1 49376817 LJHQUUSPRZPELC-UHFFFAOYSA-N 302.733 2.942 0 40 DFAB CCOCCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225000379 RGGFMJOOAXECOH-CQSZACIVSA-N 305.418 2.876 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1)NC[C@](C)(O)c1cnn(C)c1 91346309 VRADMVPFYHUMKB-LRDDRELGSA-N 307.825 2.502 0 40 DFAB CSc1cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)ccn1 96491545 XQUWKJSDHXLODS-ZDUSSCGKSA-N 320.462 2.753 0 40 DFAB Cc1cccc([C@@H](C)CNC2CCN(C(=O)N(C)C)CC2)c1 96490768 NRPISSXFDXVUHM-HNNXBMFYSA-N 303.450 2.834 0 40 DFAB C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccco1 96486200 WUFIDRSQIXAJOC-ZANVPECISA-N 323.190 2.919 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC 95533859 CBCQOZDWBBUXQT-INIZCTEOSA-N 324.384 2.845 0 40 DFAB CC[C@H](Oc1ccccc1Cl)C(=O)NN1CCCCC1=O 96451224 OHCSYNYFZFXDGX-LBPRGKRZSA-N 310.781 2.541 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2cc(C)on2)cc1 583615659 YWNKIXHWSMZGPO-ROUUACIJSA-N 316.401 2.864 0 40 DFAB C[C@@H](Oc1ccc(OCc2cccnc2Cl)cc1)C(N)=O 96429013 SOMFDJXRGZTCDW-SNVBAGLBSA-N 306.749 2.567 0 40 DFAB CN1C(=O)C2(CCN(Cc3ccncc3)CC2)c2ccccc21 96063578 XTCGZUCVYSZXBT-UHFFFAOYSA-N 307.397 2.592 0 40 DFAB Cc1occc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 96423178 OLFLCJDOZXCQCL-UHFFFAOYSA-N 301.346 2.612 0 40 DFAB Cc1c(C(=O)OC[C@@H]2CCCN2C(N)=O)oc2c(C)cccc12 96442199 JDRKZDSYSWVVSO-LBPRGKRZSA-N 316.357 2.750 0 40 DFAB c1ccc(O[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96206330 OOHYELSTXISOQV-RDJZCZTQSA-N 316.426 2.956 0 40 DFAB Cn1c(C2CC2)nnc1[S@](=O)CCc1ccccc1Cl 96446925 JQJDMPUWZDHUED-FQEVSTJZSA-N 309.822 2.696 0 40 DFAB COc1cccc(CCNCc2cc(C(F)(F)F)nn2C)c1 256052517 NQNKWYYIPKRPSX-UHFFFAOYSA-N 313.323 2.780 0 40 DFAB CC(=O)N1CC[C@@H](Cc2cccnc2-c2cccc(C(=O)O)c2)C1 257319374 VSDFEFBHGBXVCJ-AWEZNQCLSA-N 324.380 2.858 0 40 DFAB Cc1nc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cs1 257282461 OTVNSNGBWNKNPT-HNNXBMFYSA-N 302.447 2.947 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2CCCOc2ccccc2F)n1 257218703 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CCC(=O)Nc1cccc(NC(=O)c2c(C)nn(C)c2C)c1 29076560 DVEINCGMLBBQCL-UHFFFAOYSA-N 300.362 2.638 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)o1 45783447 AMJUNEQEEFSILY-VMPCVLLUSA-N 313.357 2.969 0 40 DFAB CC1CCC(N(C)C(=O)c2ccc(N3CCOCC3)nc2)CC1 48301736 KEXIPTKBKFJMQE-UHFFFAOYSA-N 317.433 2.569 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)cc1 12820618 IAPUOAOGGAFINA-CQSZACIVSA-N 304.321 2.501 0 40 DFAB COc1ccc(-c2nc(CN3C[C@@H](C)O[C@H](C)C3)co2)cc1 12811713 CMMLECHXIXMWMB-CHWSQXEVSA-N 302.374 2.959 0 40 DFAB O=C(COC(=O)c1cccc(O)c1)NCc1ccc(Cl)cc1 3511145 ZXEGZUTWIVSEBT-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB COc1cccc(CNC(=O)CNc2cc(F)cc(F)c2)c1 12936067 KCGHLVFRGWBCDY-UHFFFAOYSA-N 306.312 2.702 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NCCc1ccc2c(c1)OCO2 12939520 SMYYBXMPYGWTKU-UHFFFAOYSA-N 322.364 2.798 0 40 DFAB O=C(CCNCc1c[nH]nc1-c1ccccc1)N1CCCCC1 48745474 UYEUFHQZKRBDAT-UHFFFAOYSA-N 312.417 2.569 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)c[nH]1 9336791 DBCQCEOLOYWASV-UHFFFAOYSA-N 322.748 2.862 0 40 DFAB CCN(CC)CC(=O)Nc1c(C(=O)OC)[nH]c2cc(C)ccc12 5254011 QQNCQYZCIYFDPV-UHFFFAOYSA-N 317.389 2.543 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2C)C1=O 4548215 XARDTQFBVBQTDO-VSXLWIIGSA-N 319.382 2.983 0 40 DFAB CC(=O)Nc1nc(C(=O)N(C)c2cc(C)cc(C)c2)cs1 65861672 NTFWGDJQBCYAON-UHFFFAOYSA-N 303.387 2.995 0 40 DFAB CS(=O)(=O)CCN(Cc1cc2ccccc2s1)C1CC1 93816399 FDBYCYLJXMSIJO-UHFFFAOYSA-N 309.456 2.910 0 40 DFAB Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)no1 14334335 YOXAAAGUHZEBLL-UHFFFAOYSA-N 301.224 2.571 0 40 DFAB CNc1nnc(SCc2nc(-c3cccs3)no2)s1 7102791 LOCCKGHHHCANNU-UHFFFAOYSA-N 311.417 2.984 0 40 DFAB CC(=O)NCc1ccc(C(=O)OCCc2cccc(Cl)c2)o1 78986253 DZKMMABJEGWGKE-UHFFFAOYSA-N 321.760 2.969 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(OCc2cccnc2)cc1 69515453 WPXCJPLMRINPAN-UHFFFAOYSA-N 313.401 2.939 0 40 DFAB O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1c1ccccc1 9317969 NVJVJJNGOSYIOX-CYBMUJFWSA-N 306.325 2.652 0 40 DFAB Cc1ccc(Cc2cnc(NC(=O)c3cn[nH]n3)s2)cc1C 71819870 SCPDPLCPWLNADO-UHFFFAOYSA-N 313.386 2.721 0 40 DFAB C[C@H]1CCC[C@@H]1NC(=O)NC1CCN(c2ccccn2)CC1 71856739 GNIUOBBQWBDDOG-ZFWWWQNUSA-N 302.422 2.538 0 40 DFAB O=C(COc1ccc(F)cc1F)Nc1cccc2[nH]cnc12 71911522 JWEVVQSTLVIGNX-UHFFFAOYSA-N 303.268 2.859 0 40 DFAB O=C(NCCCO)c1cccnc1SCc1ccc(F)cc1 97367522 WKIQITVXGHYZKJ-UHFFFAOYSA-N 320.389 2.625 0 40 DFAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C(N)=O)c(F)c1 87233943 MHWBNXLUMWZCMI-LLVKDONJSA-N 310.369 2.704 0 40 DFAB C[C@H](CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2)cc1 72287547 FNACKDVNSCFOSN-LLVKDONJSA-N 320.339 2.688 0 40 DFAB O=C(CCCn1ccnc1)Nc1cc(-c2ccsc2)[nH]n1 95401006 JVOKBLJDXSSYPT-UHFFFAOYSA-N 301.375 2.754 0 40 DFAB CC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)N(C)C 89997112 FUWOXBOPUVEAOA-ARFHVFGLSA-N 323.868 2.542 0 40 DFAB COCC(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 72362332 OULFCEDZXUKFLR-OAHLLOKOSA-N 313.357 2.579 0 40 DFAB Cc1ccsc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79439932 WZHFWDNNSKXSLY-LLVKDONJSA-N 310.419 2.796 0 40 DFAB CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N 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2.743 0 40 DFAB COC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc(C)c1C 5752996 ZQXYRZZIZRMSDP-SNVBAGLBSA-N 324.446 2.964 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2Cc2ccccn2)n1 1848355351 TVMNEMYJNJZBTF-KRWDZBQOSA-N 320.400 2.907 0 40 DFAB CN1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1cc[nH]n1 1848356943 MVSADVQMNPPWHK-OKZBNKHCSA-N 324.428 2.850 0 40 DFAB CC[C@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)c1ccccc1 37171376 NNYBXCSZFBSKKC-KRWDZBQOSA-N 316.445 2.943 0 40 DFAB Cn1ncc2c(NCc3cccc(Br)c3)ncnc21 48819106 NDPMVAZHOZWLQZ-UHFFFAOYSA-N 318.178 2.738 0 40 DFAB CCCCCCN[C@@H](CC(=O)Nc1ccccc1C)C(=O)O 2697472 DYFANKQGWXQLOP-HNNXBMFYSA-N 306.406 2.947 0 40 DFAB O=C(CSc1ccc(-c2ccco2)nn1)N1CCCCC1 4357840 TXYIUQYOJRGGRI-UHFFFAOYSA-N 303.387 2.841 0 40 DFAB Cc1cc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nc(C)n1 585147407 MLXQISYGIOSIEY-GFCCVEGCSA-N 318.402 2.840 0 40 DFAB CCc1ncnc(NCc2cccnc2N2CCCC2)c1F 664192310 PXYYZDSQIVJRCP-UHFFFAOYSA-N 301.369 2.785 0 40 DFAB CC(=O)c1s/c(=N\c2cccc(C)c2C)n(CCO)c1C 9317475 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MEFYRDIZRORDPL-YOEHRIQHSA-N 303.406 2.806 0 40 DFAB O=C1CCN(C(=O)Cc2cccc(F)c2)c2ccc(F)cc2N1 76657434 IVXWLWHUOFNEJA-UHFFFAOYSA-N 316.307 2.883 0 40 DFAB CCc1cc(CNC(=O)NCC[C@@H](C)c2ccccc2)[nH]n1 76954236 DACBRFQINBBNCH-CYBMUJFWSA-N 300.406 2.965 0 40 DFAB O=C(Nc1cccc(-n2cccn2)c1)N[C@H]1CCCC[C@@H]1CO 78993316 OARSBKUZRXUKOS-CJNGLKHVSA-N 314.389 2.545 0 40 DFAB COC(=O)C[C@H](C)SCc1noc(Cc2ccccc2)n1 79358940 NAUKOXJTYCZYDU-NSHDSACASA-N 306.387 2.845 0 40 DFAB CCN(CC)CCNc1ncnc2c1cnn2-c1cccc(C)c1 426478 ZGJIBYASAWJPIQ-UHFFFAOYSA-N 324.432 2.878 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2C)cc1 6270316 RMIXSFOYAQUCAY-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CCOC(=O)C1CCN(C(=S)Nc2ccccc2F)CC1 6439087 DUWYQMVVELTLKG-UHFFFAOYSA-N 310.394 2.798 0 40 DFAB CCOC(=O)CSc1nnc2c(n1)[nH]c1ccc(CC)cc12 6519773 UOXOHZHYLSCZLN-UHFFFAOYSA-N 316.386 2.724 0 40 DFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 6879641 ROTTXWUUUNWSRA-LCYFTJDESA-N 318.398 2.558 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 8726652 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10045668 ZIXWQYQLEAJFGU-ZDUSSCGKSA-N 307.708 2.863 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)s1 10142833 NFPRECUYUSISJE-BXKDBHETSA-N 310.419 2.612 0 40 DFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H]1CCCO1 12742286 SHCSJCTWEYQNDD-AWEZNQCLSA-N 318.348 2.709 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)Nc1cc(F)cc(F)c1 58281478 ZUOSRIFHDGRULV-CQSZACIVSA-N 310.275 2.959 0 40 DFAB CC(C)(C)OC(=O)NCCNC(=O)CCCc1ccccc1 58289662 KXXDFDDGBHGUSG-UHFFFAOYSA-N 306.406 2.650 0 40 DFAB in-vitro CC(C)COCCC(=O)NCc1cccnc1N1CCCCC1 58231854 MRVQXUDXQJBJOC-UHFFFAOYSA-N 319.449 2.751 0 40 DFAB CCn1cc(C(=O)NCc2csc(-c3ccccc3)n2)cn1 28242484 XAOIJZQXXQOZRE-UHFFFAOYSA-N 312.398 2.957 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(F)c1 69493052 VBNBGAQWOCCAHC-HOTGVXAUSA-N 306.381 2.533 0 40 DFAB COCCOCCCC(=O)NCC(C)(C)c1ccccc1F 69452923 HPIOGCIMRCGGEG-UHFFFAOYSA-N 311.397 2.663 0 40 DFAB C[C@@H](CCNC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccccc1 58331902 ABNMQPASWZUIMP-UONOGXRCSA-N 314.385 2.708 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 58308527 WODAWPONJBWNHT-MRXNPFEDSA-N 316.445 2.936 0 40 DFAB CCn1c(CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc2ccccc21 58313939 AQVVJPCQQQZSQO-UHFFFAOYSA-N 323.400 2.929 0 40 DFAB COCCCNC(=O)c1cc(Br)ccc1Cl 37975183 ZUZHEWSGAOMWRQ-UHFFFAOYSA-N 306.587 2.869 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)s1 69520960 CMPGMJRYFFCFGC-CHWSQXEVSA-N 307.463 2.713 0 40 DFAB Cn1cc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)cn1 69668919 LKRLZXQHQUCGSU-KRWDZBQOSA-N 324.428 2.536 0 40 DFAB Fc1ccc(OCCSc2nnnn2-c2ccccc2)cc1 8717042 YGTOHNKUOZVRPP-UHFFFAOYSA-N 316.361 2.973 0 40 DFAB Cc1ccccc1CS(=O)(=O)NCc1ccc(Cl)nc1 69708377 VGLXAWHOOCBGGE-UHFFFAOYSA-N 310.806 2.663 0 40 DFAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3Cn3cccn3)cn12 69739673 ZLJQBMQGEWFAIL-OAHLLOKOSA-N 323.400 2.534 0 40 DFAB Cc1ncncc1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1 69969457 LWVTUBAIGYPMQK-AWEZNQCLSA-N 313.405 2.582 0 40 DFAB O=S1(=O)c2cc(Br)ccc2[C@@H](O)CC12CCC2 306146031 ZZGRNPPCQWOHHN-JTQLQIEISA-N 317.204 2.583 0 40 DFAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCCC2)cc1 14108998 VVTFUZSKELNAJX-UHFFFAOYSA-N 302.403 2.539 0 40 DFAB COC(=O)c1cnc(NC(=O)CCc2ccccc2OC)s1 8984870 FPKWZGIEUIOVJN-UHFFFAOYSA-N 320.370 2.510 0 40 DFAB O=C(NCc1nc(-c2cccs2)n[nH]1)Nc1cccc(F)c1 66595070 LKRZEZYNFAIOSK-UHFFFAOYSA-N 317.349 2.994 0 40 DFAB Cc1cccc(OCCN(C)CC(=O)NC2CCCCC2)c1 15100145 PTGKSXBHOFEGCM-UHFFFAOYSA-N 304.434 2.755 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)N1CCCc2ccccc21 15156387 HWEBTKKHQKMTRM-SECBINFHSA-N 320.443 2.580 0 40 DFAB Cc1ccc(CN(C)C(=O)Cc2ccc3c(c2)OCCO3)o1 6938653 MRPIIVCWYHYUOT-UHFFFAOYSA-N 301.342 2.560 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Br)s1 19391807 MJMFRQCXEYHBCE-SSDOTTSWSA-N 318.192 2.590 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 71184963 XPYKDEBCTVGCSG-LBPRGKRZSA-N 324.371 2.589 0 40 DFAB C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 23023120 DKDNKSCDVQBHMM-VIFPVBQESA-N 323.190 2.791 0 40 DFAB C[C@H]1CN(c2cnnc(O)c2Cl)C[C@H](c2ccccc2)O1 67905042 AZYJEZNUVXYFQA-GXFFZTMASA-N 305.765 2.802 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc(F)c1 7514455 BKOFVVCAAWGBOE-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)s1 93133993 FAVOTBZVKZESOZ-ZDUSSCGKSA-N 302.447 2.974 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68646379 LGBVOJXRTKJTFX-MNOVXSKESA-N 322.327 2.551 0 40 DFAB C[C@H](SC(=S)N(C)C)C(=O)N[C@@H](C)c1ccc(F)cc1 7976168 QLABZVIUOLFPNH-UWVGGRQHSA-N 314.451 2.971 0 40 DFAB Cc1cccc2nc(CSCC(=O)Nc3ccccn3)cn12 83124904 GARCPWHHZISVIM-UHFFFAOYSA-N 312.398 2.910 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2ccn(-c3ccccc3)n2)cn1 71797105 OLAMNZTYDKWPHL-SFHVURJKSA-N 307.401 2.943 0 40 DFAB OCC[C@@H]1CCN(Cc2cc(F)cc(Br)c2)C1 84335474 NLPAPZJROBDXNI-JTQLQIEISA-N 302.187 2.793 0 40 DFAB C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](N2CCNC2=O)C1 71841082 OXPAIYYOXDYJRY-AAEUAGOBSA-N 309.360 2.515 0 40 DFAB CCN1CCC[C@@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 71825279 MSZLKMORJGOFCQ-MRXNPFEDSA-N 314.433 2.659 0 40 DFAB CCCn1cc(NC(=O)Nc2nnc(C(F)(F)F)s2)cn1 72502224 XYGXGAAAFFTDQQ-UHFFFAOYSA-N 320.300 2.807 0 40 DFAB CCC[C@@](C)(NC(=O)Cc1cccc2cccnc12)C(=O)OC 72028429 SRCDOPWCYATSSC-GOSISDBHSA-N 314.385 2.625 0 40 DFAB Clc1cc2c(c(CN3CCOC4(CCOCC4)C3)c1)OCC2 97084467 JHNJIXGEZXNTEY-UHFFFAOYSA-N 323.820 2.656 0 40 DFAB CC(C)c1nsc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1 97047860 AERFHILOVXGYHP-GFCCVEGCSA-N 319.434 2.637 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n1 72235638 QCPHTDXGEZAKGA-AEFFLSMTSA-N 324.428 2.788 0 40 DFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCN(C(=O)C2CC2)CC1 72288109 FOCKEKCCCARWTC-XYPHTWIQSA-N 318.461 2.815 0 40 DFAB COC(=O)C1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 84640870 ZSXHTHFHZJMJLN-GFCCVEGCSA-N 324.446 2.521 0 40 DFAB CCc1nc2c(s1)[C@@H](N[C@@H]1CCCN(CCOC)C1)CCC2 95422075 GZZHSOLEBYGMLJ-KGLIPLIRSA-N 323.506 2.783 0 40 DFAB FC(F)(F)COc1ccc(CNc2nccn3cnnc23)cc1 95404330 WDCRCWHLPJOPFT-UHFFFAOYSA-N 323.278 2.678 0 40 DFAB O=C(NC1CCC(O)CC1)N(Cc1ccccc1)CC(F)F 95410023 HNZAELGMDIAPOZ-UHFFFAOYSA-N 312.360 2.767 0 40 DFAB O=C(Nc1nncn1-c1ccccc1)[C@H]1OCCc2ccccc21 95988434 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CC[C@](C)(NCc1cccc(C(=O)NC)c1)c1nccs1 72684313 AAPFURLPCHAPDK-INIZCTEOSA-N 303.431 2.918 0 40 DFAB Cc1nccn1CCCCN1C(=O)N(C)C2(CCCCC2)C1=O 96002056 VKQYJTZSESKXOO-UHFFFAOYSA-N 318.421 2.569 0 40 DFAB N[C@H]1CCCN(C(=O)c2ccc(Br)cc2Cl)C1 41028047 VNDSHTQUIORUII-VIFPVBQESA-N 317.614 2.666 0 40 DFAB CC(=O)N1CCC(C[C@@H](O)Cc2ccnc3ccccc23)CC1 5420999 XRFXZYKOGCSHGI-QGZVFWFLSA-N 312.413 2.787 0 40 DFAB CC1CCN(Cc2cc(=O)n3c4c(sc3n2)CCCC4)CC1 12695809 LOUBXOMMZIDWDJ-UHFFFAOYSA-N 317.458 2.867 0 40 DFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)NCC2CC2)c(C)c1 12986370 JADXKPGSMUXUFV-UHFFFAOYSA-N 303.406 2.602 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccccc2SC)CC1 14154338 RXEIQXAMQFGNIC-UHFFFAOYSA-N 307.415 2.824 0 40 DFAB COc1ccc(Cl)cc1C(=O)N1N=C(C)C[C@]1(O)C(F)F 17054796 OJVXZRCBHNNAMH-ZDUSSCGKSA-N 318.707 2.524 0 40 DFAB O=C(O)c1cc(OC(F)(F)F)cc(Br)c1O 575692234 WBPLFUNVLQBDEJ-UHFFFAOYSA-N 301.014 2.752 0 40 DFAB OC[C@]12CCCC[C@H]1CN(c1ncnc3cc(F)ccc13)C2 1888866598 YPXNMNXBUQTIKX-YVEFUNNKSA-N 301.365 2.758 0 40 DFAB Cc1ccc(Br)cc1NC(=O)CCn1cccn1 37369121 PHQSPPBJJJAQEF-UHFFFAOYSA-N 308.179 2.983 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(F)c(F)c1)C2 1204224698 RDYNVFCYBJJYSH-SJORKVTESA-N 311.372 2.982 0 40 DFAB O=C1C[C@H](C(=O)Nc2cccnc2)Oc2ccc(Cl)cc21 15083904 HEDZADILNZRTDN-CQSZACIVSA-N 302.717 2.708 0 40 DFAB Cn1cc(-c2ccc(CNC(=O)NC3CCCCC3)cn2)cn1 575616957 RMIYASUVADFMNU-UHFFFAOYSA-N 313.405 2.614 0 40 DFAB CCOc1ccc(-c2nc(C(=O)N[C@H](C)COC)cs2)cc1 40074802 NRKOYDQGPYVSDA-LLVKDONJSA-N 320.414 2.974 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C 30321187 VOGIXOYIPWHZJF-UHFFFAOYSA-N 309.387 2.807 0 40 DFAB CC[C@@H](C)NC(=O)COc1ccc(Br)cc1F 40159261 OVPRZFZDRAZNAQ-MRVPVSSYSA-N 304.159 2.882 0 40 DFAB CN(C)c1cccc(C(=O)NCCN2CCc3ccccc3C2)c1 31338056 SYKMRKQSIWIOSK-UHFFFAOYSA-N 323.440 2.541 0 40 DFAB CCOCc1c(C(=O)O[C@@H]2C[C@@H](C)OC2=O)oc2ccccc12 32736522 KXFYWLFFYSRCPI-QMTHXVAHSA-N 318.325 2.830 0 40 DFAB CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 44657 IUTUDKMGBFWYHK-HZPDHXFCSA-N 323.348 2.523 0 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2.957 0 40 DFAB C[C@@H]1CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C[C@@H](C)O1 12797327 ZTINHWCKNBGVMJ-MGPQQGTHSA-N 316.401 2.719 0 40 DFAB Cc1ccsc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10967676 YDNOHMQMAVTSFQ-LLVKDONJSA-N 323.439 2.951 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)CCc3ccsc3)cc12 48324475 CVMRULGITLWMFM-UHFFFAOYSA-N 300.387 2.910 0 40 DFAB CC[C@H](C)[C@H](NCc1ccc2cc(OC)ccc2c1)C(N)=O 97123787 UZEVQPHLLFSUFY-SJCJKPOMSA-N 300.402 2.838 0 40 DFAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)c1 11355915 ZUGBFDSBKLVWIU-HNNXBMFYSA-N 323.396 2.998 0 40 DFAB CNC(=O)NC(=O)CNc1ccccc1Sc1ccccc1 11619632 QYGPSIRFSKHRMR-UHFFFAOYSA-N 315.398 2.705 0 40 DFAB C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1 69778821 MLLQHKXCKVODJJ-SMDDNHRTSA-N 302.340 2.687 0 40 DFAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(F)(F)F)c1 69812362 YESSTZRYKFHWNQ-LADRHHBVSA-N 321.364 2.869 0 40 DFAB CCc1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)c2ccccc2n1 97147362 XTILAJHNROHIPL-GFCCVEGCSA-N 311.385 2.604 0 40 DFAB 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CCC[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7777551 ZXLJWUZEXZWHAH-LLVKDONJSA-N 317.838 2.809 0 40 DFAB NC(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 8076828 ZMARZLQQCNMSMZ-UHFFFAOYSA-N 303.749 2.761 0 40 DFAB c1ccc(Cc2noc(CN3CCC[C@@H]3Cn3cccn3)n2)cc1 70039411 DZPFCDWYOOEWEU-MRXNPFEDSA-N 323.400 2.522 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1nc(-c2ccsc2)no1 8345819 PFYRRWPIDFSVTK-UHFFFAOYSA-N 317.370 2.617 0 40 DFAB c1ccc(OCCCCNc2nnnn2-c2ccccc2)cc1 8338555 IUJRRRATMAOBBJ-UHFFFAOYSA-N 309.373 2.933 0 40 DFAB O=S(=O)(CCn1ccnc1)c1cc(Cl)ccc1Cl 9516214 IPHDUVRZAWQYOX-UHFFFAOYSA-N 305.186 2.664 0 40 DFAB CN(CCCn1ccnc1)C(=O)c1ncoc1-c1cccs1 83860873 SIQMEZQSBWPMCF-UHFFFAOYSA-N 316.386 2.762 0 40 DFAB Fc1ccc(Cc2nnc(NCCn3ccnc3)s2)cc1 97376173 WFFLBLCWXIXEJS-UHFFFAOYSA-N 303.366 2.577 0 40 DFAB Cc1ncc(C(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)s1 72295547 SMGKNBYHPDWCOU-SNVBAGLBSA-N 315.398 2.711 0 40 DFAB CN1CCCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 95349988 QRDWRBDJDDHGRJ-UHFFFAOYSA-N 315.442 2.512 0 40 DFAB COC(=O)CCN(C(=O)C=C(C)C)c1nc2ccccc2o1 84670864 ZLKBFOVTLSHMPI-UHFFFAOYSA-N 302.330 2.690 0 40 DFAB CC1(C2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)OCCO1 95440778 KCZOPSMFVPIRBN-CQSZACIVSA-N 308.422 2.527 0 40 DFAB O=C(NCc1ccon1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984050 YFRWOIWJQROLLO-KGLIPLIRSA-N 321.764 2.657 0 40 DFAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](Cn2cncn2)C1 95995012 DQPIWEIQIHSBOT-GFCCVEGCSA-N 319.796 2.876 0 40 DFAB CCn1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cn1 95988566 AOJFQLGWZIHXED-CVEARBPZSA-N 307.344 2.801 0 40 DFAB Cn1ccnc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 95976212 FQDHDCRATLWAFE-AWEZNQCLSA-N 323.343 2.595 0 40 DFAB CN(C1CCC(C)(C)CC1)S(=O)(=O)CC1CCOCC1 88787616 BEBPTWCXYBTWKN-UHFFFAOYSA-N 303.468 2.643 0 40 DFAB COC(C)(C)C[C@H](C)NC(=O)NCCc1nc(C)c(C)s1 89559332 GWACCUYMDMJSGV-JTQLQIEISA-N 313.467 2.805 0 40 DFAB O=C(Cc1csc(-n2cccc2)n1)NCCCc1ccco1 30819522 GYXYIISDLCRFJE-UHFFFAOYSA-N 315.398 2.818 0 40 DFAB COc1ccccc1CCNS(=O)(=O)c1cc(F)ccc1C 32405686 BASJVGLBIMJVDN-UHFFFAOYSA-N 323.389 2.664 0 40 DFAB COc1ccc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)cc1 225318550 QSLBHBMAKYUSNL-UHFFFAOYSA-N 317.316 2.561 0 40 DFAB Cc1cc(CCC(=O)NCC(C)(C)O)ccc1Br 81791378 UYSIUDBNLSSPKZ-UHFFFAOYSA-N 314.223 2.577 0 40 DFAB Cn1nccc1C1CCN([C@@H](C(=O)O)c2ccccc2F)CC1 569370576 HTHDMPUWFDXYHI-MRXNPFEDSA-N 317.364 2.565 0 40 DFAB CC1(CNC(=O)C2(c3ccccc3)CCCC2)OCCCO1 191540774 SZBAYYDODBIRST-UHFFFAOYSA-N 303.402 2.768 0 40 DFAB C[C@H](NC[C@@H](C)CO)c1nc2cc(C(F)(F)F)ccc2n1C 195553507 QLCWONAOFXJIHH-ZJUUUORDSA-N 315.339 2.871 0 40 DFAB CCCCOc1ccc(C(=O)Nc2cnc(OC)nc2)cc1 224280845 OKJPQCGUXROYEJ-UHFFFAOYSA-N 301.346 2.916 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)nc1 226852910 MTKMCTHBHPJCPJ-CQSZACIVSA-N 322.368 2.982 0 40 DFAB CCOC(=O)N1CCN(C(=O)CCc2ccc(C)c(C)c2)CC1 223921175 QXFOIVMNBNKIBS-UHFFFAOYSA-N 318.417 2.537 0 40 DFAB c1cc(N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)ncn1 221940599 PKFBHUMMHGIIAK-HNNXBMFYSA-N 308.385 2.653 0 40 DFAB O=C(C1CCCCC1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 41058391 ZTJQEEGFFOHADE-MRXNPFEDSA-N 306.450 2.818 0 40 DFAB COC[C@](C)(N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 192739572 LMWADDQBFPFNHB-WMZOPIPTSA-N 304.434 2.537 0 40 DFAB c1cncc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)c1 191443557 GAFGFSVKZRIATR-UHFFFAOYSA-N 323.444 2.780 0 40 DFAB CC(=O)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 225825764 BKZVHKFLWZGDOT-UHFFFAOYSA-N 313.397 2.912 0 40 DFAB O=C(O)c1cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1O 94986186 ZVMNAMBSXWLRBY-UHFFFAOYSA-N 323.308 2.584 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)CCCc2cc(C)sc2C)C1 96460668 ZWVJGVFITPPEIJ-MRXNPFEDSA-N 322.474 2.815 0 40 DFAB Cc1nc(COC[C@H]2OCCc3cn(CC4CC4)nc32)cs1 96044240 VBNJECWNEVQLPP-OAHLLOKOSA-N 319.430 2.889 0 40 DFAB CC(C)CCC(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 97232670 WUQZGBYZPFQABS-INIZCTEOSA-N 318.417 2.658 0 40 DFAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](N1CCCC1)CO2 96158642 LPFCAONRULEGJT-MRXNPFEDSA-N 319.449 2.511 0 40 DFAB C[C@H]1C[C@@H](Nc2ccc(OCc3ccccn3)c(F)c2)C(=O)O1 96447869 JGPKOVYRIPDHIC-XHDPSFHLSA-N 316.332 2.916 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)ccn1 257320013 VUZIRDNZBXIUTR-AWEZNQCLSA-N 317.414 2.677 0 40 DFAB CN(CC(=O)O)Cc1cc2ccccc2nc1N1CCCCC1 263377543 AXTNNCRJWAZPCJ-UHFFFAOYSA-N 313.401 2.742 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NC(C)(C)c1c(C)noc1C 286285037 FEPWZKUUCYUZRX-UHFFFAOYSA-N 318.421 2.626 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1)OC 96385305 PDGLSZQPKUVBHT-QGZVFWFLSA-N 314.385 2.882 0 40 DFAB Cc1nccc(CN2CC[C@H](Cc3ccccc3C)[C@H](O)C2)n1 585278253 AKVRDWUSSYSZAA-IEBWSBKVSA-N 311.429 2.519 0 40 DFAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccccc2F)cc1 585182261 GRUMEIZOEQHYCM-KRWDZBQOSA-N 314.360 2.621 0 40 DFAB Clc1ccc(-c2cnc(CNCCn3cccn3)o2)cc1 69819945 OHNRCSWGJLAEGT-UHFFFAOYSA-N 302.765 2.981 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1cccc(Cl)c1Cl 96414653 LCWDUNJAHIOSAA-GFCCVEGCSA-N 308.230 2.837 0 40 DFAB CC[C@@H](C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O 13698516 WBMVRZHSPIPJHV-GFCCVEGCSA-N 319.430 2.667 0 40 DFAB COC(=O)CN(C)C(=O)Cc1coc2ccc3ccccc3c12 16740159 PVXFSZKICMAZQG-UHFFFAOYSA-N 311.337 2.760 0 40 DFAB Cc1ccn2c(=O)c(NC(=O)c3ccccc3F)c(C)nc2c1 17143930 SPDXPMFIFMSWOJ-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB CN(C[C@H]1OCCc2ccccc21)C(=O)CC[C@H]1CCCO1 19586043 BXVPXZBPIAHMTA-NVXWUHKLSA-N 303.402 2.718 0 40 DFAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)C3CC3)CC2)n1 19748355 BELXVCQQSGGXFA-CQSZACIVSA-N 316.449 2.615 0 40 DFAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccccc1F 226335563 YWGVUKAIDXQRML-VQHVLOKHSA-N 301.317 2.912 0 40 DFAB Cc1cnc(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cn1 25386899 UBWHCOJTOYQTDD-UHFFFAOYSA-N 313.288 2.936 0 40 DFAB O=C(CC1CCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776007801 FVOVCNDNBYKVDX-UHFFFAOYSA-N 307.369 2.566 0 40 DFAB Cc1nnc2c(NCc3cccc(Br)c3)nccn12 79468891 PFRJZTIYEUYHIQ-UHFFFAOYSA-N 318.178 2.807 0 40 DFAB CCS(=O)(=O)N1CCN=C1SCc1ccc(Cl)cc1 2711518 IUZFVVMGUZJXHP-UHFFFAOYSA-N 318.851 2.595 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)cc1C 49407328 LUKXWDOMEDAYHS-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB COC(=O)CCNC(=O)c1ccc(OC)c(-c2ccccc2)c1 50559276 LFZCWLMNHPKNBL-UHFFFAOYSA-N 313.353 2.655 0 40 DFAB Cc1cnc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cn1 40497435 JUTFQLFHCHXBAB-HNNXBMFYSA-N 313.357 2.595 0 40 DFAB O=C(NCc1cccc(N2CCOC2=O)c1)C1CCCCC1 40554180 HEHIRLPWAKKAEB-UHFFFAOYSA-N 302.374 2.840 0 40 DFAB O=C(NCc1ccccc1Cl)c1cn(-c2ccccc2)nn1 31873887 MXAKZVOGYOALQD-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB C[C@H](c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 51182728 UQJBHSNWHXNFNH-CYBMUJFWSA-N 302.349 2.938 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)NCc1cc(F)cc(F)c1 51356361 BKDNMSOEDMXZCR-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB Cc1cc(-c2nn3c(-c4sccc4C)nnc3s2)n[nH]1 20745271 WBXWHCZYTLDPQF-UHFFFAOYSA-N 302.388 2.921 0 40 DFAB COc1cc(C(=O)N(C)C)ccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101511505 KRZVWLYNXYPMHN-OBJOEFQTSA-N 314.385 2.548 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCC2(N(C)C)CCCCC2)c1C 21297848 RQYPSUPAYQXCNX-UHFFFAOYSA-N 319.449 2.828 0 40 DFAB FC(F)(F)c1cccnc1N[C@H]1CCCN(c2ncccn2)C1 52427048 MMKPEQLMXZXGMC-NSHDSACASA-N 323.322 2.971 0 40 DFAB Cc1cccnc1NC(=O)NC[C@H](c1ccsc1)N(C)C 46347336 SQGRBJBWJBNLOF-CYBMUJFWSA-N 304.419 2.876 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)N[C@@H](C)Cc2cccs2)o1 76084034 HMTIGQSUSIZIGW-MEDUHNTESA-N 322.430 2.787 0 40 DFAB CC(C)[C@H](CCO)NC(=O)Nc1ccc(-c2csnn2)cc1 76069718 NXVYIVYVDKDRQQ-ZDUSSCGKSA-N 320.418 2.734 0 40 DFAB S=C(NCc1cccc2ccccc12)NC[C@H]1CCCO1 2764355 LKPNJRHEYXCJKQ-OAHLLOKOSA-N 300.427 2.983 0 40 DFAB Cc1ncsc1C(=O)N1CCN(Cc2ccccc2F)CC1 46786563 PFSWVHPNTJSJLV-UHFFFAOYSA-N 319.405 2.549 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CS2 33207117 ZJZAFYBCAJZKCF-SNVBAGLBSA-N 316.382 2.685 0 40 DFAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 565144 ORTHIZOGJSFWBH-BTDLBPIBSA-N 315.756 2.999 0 40 DFAB CN(C)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cn1 22420235 BOQICPNOMKYJMA-AWEZNQCLSA-N 317.776 2.743 0 40 DFAB O[C@@H](CN1CCC(c2cc[nH]n2)CC1)c1ccc(Cl)cc1 58279130 VDIDIHYAJFRXLP-INIZCTEOSA-N 305.809 2.976 0 40 DFAB COc1ccc2c(c1)C(=O)N(C)C(=O)/C2=C\Nc1ccccc1 105589283 SGLYOQLJXWGNMT-WJDWOHSUSA-N 308.337 2.760 0 40 DFAB CCOc1ccccc1NC(=O)c1cn(CC)nc1OCC 9070374 MCTMLVLUKJVPKP-UHFFFAOYSA-N 303.362 2.953 0 40 DFAB O=C(NC1CCCC1)c1cccc(CN2C(=O)CSC2=O)c1 23882978 LIHBXWPZFAYGAU-UHFFFAOYSA-N 318.398 2.554 0 40 DFAB C[C@H]1CCCCN1[C@H](C)CNC(=S)NCc1ccccc1 105679437 SNISHSJZIZBGRT-LSDHHAIUSA-N 305.491 2.914 0 40 DFAB C[C@H](C(=O)N1CC(C)(C)Sc2ccccc21)n1cncn1 176263400 WYALCJWPNBTFDQ-LLVKDONJSA-N 302.403 2.757 0 40 DFAB CCOCCCNC(=O)/C=C/c1c(C)nc2sc(C)cn12 24713901 NRPVVTWAUISUJG-VOTSOKGWSA-N 307.419 2.569 0 40 DFAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCSCC1 12407474 AVJXNHKGZKZSMU-ZDUSSCGKSA-N 310.806 2.996 0 40 DFAB COC(=O)CCNC(=O)c1cc2c(s1)-c1ccccc1CC2 24855069 NMXLRWVPPCUXIB-UHFFFAOYSA-N 315.394 2.807 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2cc(C)nn2C)c(OC)c1 43433741 AYZMEWAGXPQWKQ-LLVKDONJSA-N 318.377 2.628 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 110654523 INCRBHWCFCHWQE-FXUDXRNXSA-N 322.836 2.626 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)CC[C@@H](C)O 97162054 HYBXUDHRGKQFOW-HIFRSBDPSA-N 320.433 2.527 0 40 DFAB C[S@](=O)Cc1ccccc1NC(=O)NCc1cccs1 97140974 IZDSXZSAKGWRHA-HXUWFJFHSA-N 308.428 2.948 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21 109049903 LNHRNOIRCPGDIF-OGHNNQOOSA-N 321.392 2.903 0 40 DFAB NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1 26757586 CBXCKUJPALZRCG-INIZCTEOSA-N 318.380 2.751 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 57829738 QFVJGAPKZCZVBQ-WFASDCNBSA-N 306.381 2.604 0 40 DFAB O=C(C[C@@H]1[C@@H]2CN(Cc3cccs3)C[C@@H]21)Nc1cccnc1 107745989 CSUDNNOXOIROFW-MUJYYYPQSA-N 313.426 2.850 0 40 DFAB C[C@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 58202340 UVZZIFLTNHWRIK-JTQLQIEISA-N 302.378 2.549 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)Nc2ncc(C)s2)c1 10556092 MMTKEVWKNNNCRA-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB C[C@@H]1CCCc2sc3ncn4nc(/C=C/C(=O)O)nc4c3c21 2241120 QYNWFCKKLCTFJY-HQZHTGGTSA-N 314.370 2.877 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2ccc(C)cc2C)CC1 69815081 HNVKENNSTLXBOB-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1cccs1 45867211 ZOVVCPLSWMGHKO-NSHDSACASA-N 319.434 2.626 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(F)cc1F 3405238 PCHJWZATKBZORE-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CC(=O)N(c1nnc(SC[C@@H]2CCCCO2)s1)C1CC1 48412482 XXXJUYPLHJFYAZ-NSHDSACASA-N 313.448 2.715 0 40 DFAB O=C(O)[C@@H]1CCCN1Cc1cc(Br)ccc1F 3747976 ZOETVCLCQKHFHO-NSHDSACASA-N 302.143 2.637 0 40 DFAB COc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1C(=O)O 13392796 WCGOIAIOLDBFQV-UHFFFAOYSA-N 319.744 2.977 0 40 DFAB O=C(O)c1nn(-c2cccc(Cl)c2)c(=O)c2ccccc12 49452791 RZGOZYGSGIGFNL-UHFFFAOYSA-N 300.701 2.737 0 40 DFAB Cc1cscc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 92575423 GCRDSPGIKNQBJC-CYBMUJFWSA-N 314.410 2.871 0 40 DFAB NC(=O)Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 13715580 UZATVMCWUDYIMP-UHFFFAOYSA-N 312.413 2.869 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 6404016 JFVYQBJIFMYABW-UHFFFAOYSA-N 320.370 2.924 0 40 DFAB CC[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc(C)on1 14164005 CPNSNKJRGPREPB-JTQLQIEISA-N 317.374 2.535 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2cccc(F)c2)c1 67010510 UEZFCGNEKZKFRW-GFCCVEGCSA-N 322.405 2.585 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 4974143 ASGOSUHDCGODBA-DZGCQCFKSA-N 306.406 2.852 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1 7069488 ZTPVFLPXSIDCJS-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB Cc1ccc(NC(=O)NC(=O)CN2CCC(C)CC2)c(C)c1 7446874 VFDLIAGAEYLFEY-UHFFFAOYSA-N 303.406 2.683 0 40 DFAB Cc1ccc(Cl)c(OCC(=O)OCC(=O)c2ccc[nH]2)c1 7654511 HPYFYIRYVFVYRC-UHFFFAOYSA-N 307.733 2.781 0 40 DFAB CC(=O)NCC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 96008801 RTDHHBCZWYTGKK-MYSGNRETSA-N 306.431 2.669 0 40 DFAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Nc2ccncc2F)C1 119798190 REEAXCFLUXEMJV-LLVKDONJSA-N 323.368 2.806 0 40 DFAB COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@@H](OC)C1 71884683 XOSJMSSEEUMQSJ-GOEBONIOSA-N 305.418 2.901 0 40 DFAB C[C@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@@H](C)O1 71819380 CQQWAXUKLHUBJK-BETUJISGSA-N 304.415 2.847 0 40 DFAB C[C@@H](CN(C(=O)c1cnc(C(C)(C)C)s1)C1CC1)C(=O)O 97231884 DJIUGWDDGZECQT-VIFPVBQESA-N 310.419 2.766 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1 97018408 CZWDAVLCGCNFKB-JXMROGBWSA-N 321.336 2.842 0 40 DFAB c1ccc(-c2nnc(OCc3nc(-c4ccccn4)no3)o2)cc1 97046748 LNEZLNRPDMEBBD-UHFFFAOYSA-N 321.296 2.761 0 40 DFAB CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccc(C)o2)s1 97081168 GHMDHWUKRKBLJK-LLVKDONJSA-N 318.398 2.667 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)O)nn1-c1ccccc1 97046346 RWTRSQMTOOWHOL-RHSMWYFYSA-N 313.401 2.556 0 40 DFAB COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1F 84714812 RDIMFZSRFYVCOU-LRDDRELGSA-N 320.408 2.571 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@@H]1N(C)C 84714357 NGTHMWNODQMEPB-ABAIWWIYSA-N 317.820 2.910 0 40 DFAB CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1c[nH]c2ccccc12 95427033 PLNSNPQJCHXZRR-SJORKVTESA-N 320.458 2.656 0 40 DFAB CCc1nn(C)c(Cl)c1C(=O)N1CCS[C@H](C(C)C)C1 95453452 JNLBEILLSXYOBI-NSHDSACASA-N 315.870 2.850 0 40 DFAB CC[C@](C)(CC(=O)O)NC(=O)CCCOCCc1ccccc1 95970228 HVYRKZQOWRYJSG-GOSISDBHSA-N 321.417 2.786 0 40 DFAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccoc1 95991295 CWESLCFYZYFHOM-ZDUSSCGKSA-N 322.723 2.607 0 40 DFAB Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H](C)Oc2ncccc21 89526235 NQMBISLMFGMQAR-GHMZBOCLSA-N 315.373 2.994 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cccc(C)n2)cn1 75141366 SPSLIEWRFICZCW-QGZVFWFLSA-N 324.428 2.739 0 40 DFAB COc1cc(OC)c(CNCc2ccc(C)cn2)c(OC)c1 89652281 UKCWQJKFLZANDD-UHFFFAOYSA-N 302.374 2.706 0 40 DFAB COc1ccc(CCNC(=O)c2cc(F)ccc2F)cc1OC 22596175 TZTWZRZMFPVARN-UHFFFAOYSA-N 321.323 2.955 0 40 DFAB Cc1cccc2oc(C(=O)N3CC(C)(C)O[C@H]4COC[C@@H]43)cc12 1550585185 HBUWNKVJXCMMLC-BBRMVZONSA-N 315.369 2.760 0 40 DFAB CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(Cl)ccc21 181824963 JBDGUYFQRBFMBP-UHFFFAOYSA-N 304.777 2.911 0 40 DFAB Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12 524730942 DAGSYWQWSJXATF-LSDHHAIUSA-N 305.422 2.628 0 40 DFAB biogenic COc1cccc([C@@H]2[C@H](N[C@H]3CCO[C@@H]3C)CCN2C2CC2)c1 181281217 YWSDFNSSADPJSM-VUKOWNLVSA-N 316.445 2.740 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCc2sccc2C1 32889933 GCLIQKRFQAMUIT-GFCCVEGCSA-N 305.403 2.820 0 40 DFAB Cc1nc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)sc1C 183167816 KZKJIKRYIQZDQC-CYBMUJFWSA-N 319.434 2.920 0 40 DFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC=CCC1 9256581 KPTSQSUDDHATDS-LLVKDONJSA-N 319.357 2.785 0 40 DFAB C[C@@H](CSc1nnc(C2CCOCC2)n1N)c1ccccc1 79037814 TXCKKSULAPNTKE-LBPRGKRZSA-N 318.446 2.782 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(Cl)ncn1 72203415 HPDDQOXKAUIYMZ-SNVBAGLBSA-N 312.801 2.941 0 40 DFAB Cc1nc2c(s1)[C@@H](OC(=O)c1cc(C(N)=O)cs1)CCC2 79037532 KMNRXXSHZYFOGL-JTQLQIEISA-N 322.411 2.846 0 40 DFAB S=C(NCCCN1CCc2ccccc21)Nc1ccncc1 225561585 FJAXPBPGAPTMTK-UHFFFAOYSA-N 312.442 2.821 0 40 DFAB C[C@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccoc1 195559779 BYMNIUWDKBXCAY-GXTWGEPZSA-N 308.378 2.525 0 40 DFAB S=C(NCc1cccnc1)Nc1ncc(Cl)nc1Cl 223939319 PFDHUWQMYMCTNS-UHFFFAOYSA-N 314.201 2.665 0 40 DFAB O=C(NCc1ccccc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344687 XXEKOCGISQRQDW-HOTGVXAUSA-N 309.365 2.878 0 40 DFAB Cc1cccc(C)c1NCC(=O)NCc1ccc(O)c(F)c1 96445791 VRRVCBVRIVFJEF-UHFFFAOYSA-N 302.349 2.876 0 40 DFAB Cc1ccoc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 96442637 CZFHPEUGONQMEP-HNNXBMFYSA-N 313.353 2.794 0 40 DFAB Cc1cscc1C(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 578992197 RFFZNJYSPJKPAI-QGZVFWFLSA-N 315.394 2.925 0 40 DFAB Cc1nc(-c2nc(C(=O)NC3CC3)c3ccccn23)cn1C(C)C 96266908 GWFPSHDDMIMTBI-UHFFFAOYSA-N 323.400 2.979 0 40 DFAB CC(C)C[C@H](C)OC(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C 583651958 VYIUXHFAXLOUBE-ZNMIVQPWSA-N 312.454 2.647 0 40 DFAB CC[C@]1(C)Oc2ccc(NC(=O)CCc3cnn(C)c3)cc2O1 97104344 YQWZKNHNJAJCRF-QGZVFWFLSA-N 315.373 2.889 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)ccc1F 96411108 AKAIGKKLTGNNGU-VHSXEESVSA-N 310.394 2.750 0 40 DFAB C[S@](=O)C[C@@H](NC(=O)c1cccc(F)c1F)c1ccccc1 96445530 SJWISJDJOHKOLS-JLCFBVMHSA-N 323.364 2.814 0 40 DFAB c1ccc(CN2CC3(C[C@H](Oc4ccccn4)CS3)C2)nc1 248115930 SJTHMCOSFUEWJT-HNNXBMFYSA-N 313.426 2.616 0 40 DFAB Cc1ccc(CN2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)cc1 248056301 CAJMEUNSOJSNPG-HOTGVXAUSA-N 309.413 2.931 0 40 DFAB CC(=O)N1CCC[C@@H](c2cnc(-c3cnn(C(C)C)c3)cn2)C1 257232533 GLGRGVNSVFNADZ-CQSZACIVSA-N 313.405 2.647 0 40 DFAB CCOC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253578844 YVVRRIRCBMPVQS-UHFFFAOYSA-N 321.446 2.928 0 40 DFAB O=C(c1cccnc1)N1CCC(c2cccc3nccn23)CC1 257340064 ZEHMIJNALZABKJ-UHFFFAOYSA-N 306.369 2.749 0 40 DFAB NC(=O)c1sc2ccccc2c1[C@H]1CCN(c2ncccn2)C1 257312390 UNSMCZBJBNMLNF-NSHDSACASA-N 324.409 2.784 0 40 DFAB Cc1c[nH]c([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257249679 JJHSKNHEMNJXSV-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCC[C@@H]1c1ccnc(O)n1 257276199 NSTKPFBZBLEVOV-OAHLLOKOSA-N 315.348 2.618 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccc(OC)cc1 298121039 UODRTFXATGUAPI-CQSZACIVSA-N 320.433 2.644 0 40 DFAB O=C(/C=C/c1ccccc1)NCCn1ccc(-c2ccncc2)n1 96098790 WLJJUBOTBFQFAC-VOTSOKGWSA-N 318.380 2.775 0 40 DFAB C[C@@]1(CNC(=O)N2CCC[C@H]2CCO)C[C@H]1c1ccccc1 577987379 ZVEHAYNSYIEHBH-BQFCYCMXSA-N 302.418 2.737 0 40 DFAB CC1(C)CC[C@H]2CN(C(=O)Cc3ccncc3)CC[C@@]2(C)O1 585286914 XJAYQOBQELFYKP-MAUKXSAKSA-N 302.418 2.820 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CCCO2)c1 53433311 HLZJJEGMPBLVFQ-HNNXBMFYSA-N 320.389 2.896 0 40 DFAB O=C(Cc1cccs1)N(CC(F)(F)F)C1CCOCC1 75166643 ZNUYNQTYEXRVNG-UHFFFAOYSA-N 307.337 2.861 0 40 DFAB O=C(Cc1cccc(O)c1)NC[C@H]1CCO[C@H]1c1ccccc1 98014501 REKXNLVSWQNKFR-APWZRJJASA-N 311.381 2.829 0 40 DFAB CC(C)(C)S(=O)(=O)CCNc1ccc(C(F)(F)F)cn1 225589472 UINOFWNQPHMTBV-UHFFFAOYSA-N 310.341 2.726 0 40 DFAB CC(=O)Oc1ccccc1-c1nc(N)nc(-c2ccccc2)n1 5383346 LQIVIFYHHLCRLK-UHFFFAOYSA-N 306.325 2.713 0 40 DFAB Cc1ccnc(NC(=O)CSc2ccc3c(c2)OCCO3)c1 12527117 NCZXUDWJMYPMCD-UHFFFAOYSA-N 316.382 2.892 0 40 DFAB CCn1cc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)c(C)n1 19524604 BHJSAFAPRQTZGK-DLBZAZTESA-N 322.522 2.613 0 40 DFAB O=C(CC1CCCC1)NCc1nnnn1-c1ccc(Cl)cc1 9570700 CGWJRVSBEYQXEM-UHFFFAOYSA-N 319.796 2.512 0 40 DFAB COc1ccc2oc(-c3ccc(C(=O)O)cc3)c(O)c(=O)c2c1 31773447 NGJMNMXMABKQPW-UHFFFAOYSA-N 312.277 2.872 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 240122384 VYAJQXZUDJBXTQ-RYUDHWBXSA-N 318.327 2.565 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2nccs2)cs1 2037846595 SLLOXCFIQKNQRY-NSHDSACASA-N 308.432 2.895 0 40 DFAB COc1ccc(C(=O)NCCc2cn3ccc(C)cc3n2)cc1 4248449 PFKYMTPEDQJITR-UHFFFAOYSA-N 309.369 2.624 0 40 DFAB O=C1NC(=O)c2cc(NC(=O)c3cccc4ccccc34)ccc21 4263859 QSQAMOIXGDTMEN-UHFFFAOYSA-N 316.316 2.976 0 40 DFAB c1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1 98957 FELOHFUFIVWZLU-UHFFFAOYSA-N 313.324 2.525 0 40 DFAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)N1CCOCC1 49033 KHHSVIRPRKENLC-UHFFFAOYSA-N 319.213 2.592 0 40 DFAB COCCn1cnnc1SCC(=O)c1cc(C)c(C)cc1C 40456806 PRCNLGGKEMYPSU-UHFFFAOYSA-N 319.430 2.825 0 40 DFAB Cc1nc(-c2cccc(Oc3ncnc4c3cnn4C)c2)no1 40555456 VNWHJGATTKTYNC-UHFFFAOYSA-N 308.301 2.514 0 40 DFAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccccc3)cnc21 32097937 XBRAHVYJVIYGJS-UHFFFAOYSA-N 316.386 2.813 0 40 DFAB Cc1cc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1S(C)(=O)=O 101633351 DFQUYIKWEHHACT-BPUTZDHNSA-N 305.443 2.700 0 40 DFAB O=C(CCc1ccc(O)c(Cl)c1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 102174506 AGSCGBBKWGCYNU-MRHIQRDNSA-N 323.820 2.501 0 40 DFAB Cc1cc(=O)c(C(=O)OC2CCCC2)nn1-c1ccccc1F 32768043 SZMHTCKPYMDCDO-UHFFFAOYSA-N 316.332 2.779 0 40 DFAB COC(=O)/C(=C\c1cccnc1)N(C)C(=O)c1ccc(F)cc1 32703149 LYFRSZZVBADXIP-XNTDXEJSSA-N 314.316 2.507 0 40 DFAB COc1ccc(F)cc1[C@H](C)Nc1ncnc2c1cnn2C 52426651 RFWBFUWZIIWODV-VIFPVBQESA-N 301.325 2.684 0 40 DFAB O=S(=O)(NCCCOC1CCCCC1)c1cccc(F)c1 32811136 ZGRAIEVUMMORRV-UHFFFAOYSA-N 315.410 2.843 0 40 DFAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 191106 GIMBHYZDAUDSFY-HNNXBMFYSA-N 318.373 2.665 0 40 DFAB NCc1nnc(SCc2ccc(Br)cc2)o1 11903977 POLCBXIEDOUIDH-UHFFFAOYSA-N 300.181 2.583 0 40 DFAB COc1cc(OC)c(C(=O)Oc2ccccc2OC)cc1OC 365396 JZDCVJOFUUKMHV-UHFFFAOYSA-N 318.325 2.940 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)s1 69462220 BMDZEXSOKMVVSE-CQSZACIVSA-N 322.474 2.989 0 40 DFAB COc1ccc(Br)cc1CN(C)C(=O)n1ccnc1 32859696 NMHSHMFGQRMXBC-UHFFFAOYSA-N 324.178 2.754 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2cn(C)nc2-c2cccnc2)c1 69489432 WXAZZVZGGQZHEW-HUUCEWRRSA-N 324.432 2.726 0 40 DFAB O=C(NCc1cccnc1)NCc1ccccc1OCC1CC1 76018912 WPDHFUKWXKWNBD-UHFFFAOYSA-N 311.385 2.870 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C)cc3)ccc21 12133439 JIKOUEYKKKMINU-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CC(C)Oc1c(N(C)CCO)c2cc(Cl)ccc2oc1=O 1673929 UXMZPPRIGRMNQB-UHFFFAOYSA-N 311.765 2.662 0 40 DFAB CCCCNC(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O 1737040 WZHAKCFLVSMGRQ-UHFFFAOYSA-N 302.374 2.613 0 40 DFAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc2[nH]ccc2c1 79493923 WCLKYJFKFNYSTO-MRXNPFEDSA-N 305.337 2.981 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@H](c1ccco1)N1CCCCC1 3406872 AFJHGMKRWYGKHW-CQSZACIVSA-N 317.389 2.841 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@H]2c2cccs2)cn1 46994546 NDKMXLNMKNZUCD-ZDUSSCGKSA-N 304.419 2.571 0 40 DFAB COCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 4354664 FWLSYONDHSGIAK-UHFFFAOYSA-N 317.780 2.836 0 40 DFAB CCS(=O)(=O)C[C@](C)(Cl)C(=O)Nc1ccc(Cl)cc1 501303 RUDFOYHIAOKTRT-LBPRGKRZSA-N 324.229 2.711 0 40 DFAB O=c1c2[nH]c3ccccc3c2ncn1CCc1ccc(O)cc1 525868 KHIHJHWZHRSYNT-UHFFFAOYSA-N 305.337 2.826 0 40 DFAB biogenic Cc1csc(NC(=O)CN(C)CCOc2cccc(F)c2)n1 53186920 WONQHFUGKTTZDR-UHFFFAOYSA-N 323.393 2.540 0 40 DFAB C[C@H](NC(=O)C(=O)NCCC1CCCCC1)c1ccccc1 8221530 QRRSTXWXMHSIGW-AWEZNQCLSA-N 302.418 2.950 0 40 DFAB Cc1nc2ncc(C(=O)NC[C@@H]3CCOc4ccccc43)cc2[nH]1 97108209 SSBNJWMBGMLFEG-LBPRGKRZSA-N 322.368 2.562 0 40 DFAB CCc1c(C)nn2c(O)cc(-c3nn(CC)cc3Cl)nc12 100733074 YKNNDUFGVUXNSF-UHFFFAOYSA-N 305.769 2.843 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1cc(=O)c2ccccc2o1 104722446 IGBVZOHKZQNZAR-HTXNQAPBSA-N 308.337 2.592 0 40 DFAB O=C(C1CCCC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 23879731 OVZNATRANUMAIQ-HNNXBMFYSA-N 316.449 2.901 0 40 DFAB Cc1ccc2c(COC(=O)C3CCOCC3)cc(=O)oc2c1C 24935503 JIYDPGNDKQSVOU-UHFFFAOYSA-N 316.353 2.880 0 40 DFAB Cc1ncc(CN2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)s1 106574116 GMTZAQROBZPOMD-YGRLFVJLSA-N 301.415 2.819 0 40 DFAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3C3CCCCC3)nn12 55599639 FWOHKWGRMIATMW-AWEZNQCLSA-N 313.405 2.618 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)NC1(c2ccccc2)CCC1 55557725 FOGQUXBPAORILB-UHFFFAOYSA-N 302.418 2.734 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc(Cl)ccc1Cl 25248005 QQSNXFGHGISHRS-UHFFFAOYSA-N 317.216 2.980 0 40 DFAB Cc1nnc(NC(=O)CCC(=O)NC2CCCCCCC2)s1 1740105 PAXOJMQFCZPTNG-UHFFFAOYSA-N 324.450 2.794 0 40 DFAB COCCn1cc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cn1 72302940 MIEUPINZYXOSOH-BBRMVZONSA-N 314.389 2.754 0 40 DFAB CC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 58230813 XLZJUTXRGXDFCU-SWLSCSKDSA-N 304.390 2.671 0 40 DFAB O=C(NC1CCN(CCc2ccncc2)CC1)c1cccs1 58246890 RXRGZZNHLQJPGP-UHFFFAOYSA-N 315.442 2.580 0 40 DFAB O=C(CCCCC(=O)N1C[C@@H]2CC[C@@H]1C2)N1C[C@@H]2CC[C@@H]1C2 102764560 NBBDXVSUYXXGDM-KLHDSHLOSA-N 304.434 2.569 0 40 DFAB CCCOc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 2148149 KQEABWBWUKNACA-UHFFFAOYSA-N 304.342 2.914 0 40 DFAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 48273377 MLDMCKHHPXGBCS-LBPRGKRZSA-N 308.378 2.543 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)NCCc1ccc(Cl)cc1 27937937 DUGFWHQXKCIHMQ-LBPRGKRZSA-N 316.854 2.591 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)NCCc1ccc(Cl)cc1 27937930 DUGFWHQXKCIHMQ-GFCCVEGCSA-N 316.854 2.591 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1F 3385975 QSUHNGKJVGVNQV-UHFFFAOYSA-N 315.300 2.742 0 40 DFAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 12764562 CHFCHTNOEFLMNL-LBPRGKRZSA-N 324.384 2.526 0 40 DFAB CC(C)n1ccc(=O)nc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 69583266 HMUZWQODINWRCR-BETUJISGSA-N 323.462 2.706 0 40 DFAB C[C@H](c1ccc(F)c(F)c1)N1CCN(Cc2nccn2C)CC1 69535573 CNZSLPPOESBZDP-CYBMUJFWSA-N 320.387 2.577 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 3619299 UALLMBBZFHMFEY-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Fc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1 13010629 YRVHGDYGROIHNU-UHFFFAOYSA-N 310.336 2.903 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CC[C@@H]2CCCO2)c1 69696591 XSIGVADCRDDOCG-HOTGVXAUSA-N 305.422 2.532 0 40 DFAB O=C([C@@H]1CCc2ccccc21)N1CCCC[C@@H]1Cn1cccn1 69742828 ORYVMKNAHZHRHR-SJLPKXTDSA-N 309.413 2.994 0 40 DFAB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1F 64467725 ZFDZPSRCIZJBMV-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 5134065 MTGXMLZFVFYMTI-UHFFFAOYSA-N 323.345 2.644 0 40 DFAB CCc1cc(C(=O)Nn2cnc3sccc3c2=O)sc1C 14228891 NJVKYDCQHRXNPL-UHFFFAOYSA-N 319.411 2.774 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 4689305 NSYHSFGZJCHJPE-ZDUSSCGKSA-N 318.417 2.542 0 40 DFAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 7054395 UHCSTSQWEUVIJT-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB Cc1ccc(Br)c(NCCCS(C)(=O)=O)c1 90083538 NRUKQZCIOKULRV-UHFFFAOYSA-N 306.225 2.604 0 40 DFAB COc1ccccc1N1CCN(C(=O)c2ccsc2)CC1 7149866 HIABMMCDNQRDKP-UHFFFAOYSA-N 302.399 2.719 0 40 DFAB Cc1nc2cc(NC(=O)CCNC(=O)c3ccccc3)ccc2o1 15623623 CDVWNFGDGIASMZ-UHFFFAOYSA-N 323.352 2.895 0 40 DFAB CCOC(=O)c1cnc2cc(F)c(F)cc2c1N1CCOCC1 19874382 VBPUAOGBOPMKLD-UHFFFAOYSA-N 322.311 2.526 0 40 DFAB CC1(C)COCCN1C(=O)c1cc(F)c(Cl)nc1Cl 71799888 FZJXPPFJVJVROO-UHFFFAOYSA-N 307.152 2.779 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)s1 9586789 MGIRCHXIILBMTM-UHFFFAOYSA-N 310.325 2.703 0 40 DFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1C=CCCC1 95394181 MFAWTQTZXJNBLT-MRXNPFEDSA-N 315.417 2.545 0 40 DFAB Cc1cnn(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c1 71900787 CPKAYSAAQHTYTB-UHFFFAOYSA-N 309.373 2.545 0 40 DFAB C[C@H](Oc1cccc2cccnc12)C(=O)NC(=O)NC(C)(C)C 9690010 JAMWYXNKCWRABZ-NSHDSACASA-N 315.373 2.626 0 40 DFAB C[C@@H](C(=O)NCCn1cccc1)n1ccnc1-c1ccccc1 83967519 IESMPBDLVZBUFQ-HNNXBMFYSA-N 308.385 2.729 0 40 DFAB COCc1ccc(S(=O)(=O)CCc2scnc2C)cc1 84066519 WHTTZNUBPWLFGH-UHFFFAOYSA-N 311.428 2.614 0 40 DFAB CCO[C@@H]1C[C@H](NC2CCN(C(=O)c3ccoc3)CC2)C1(C)C 95422890 IRYWYKTUZDLACW-JKSUJKDBSA-N 320.433 2.677 0 40 DFAB CN1C(=O)C[C@@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 95440495 ODSLHFAQRAQJHA-DOMZBBRYSA-N 318.373 2.589 0 40 DFAB CCOCC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081823 WUPOJSOKIYKREO-ZDUSSCGKSA-N 317.307 2.642 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)Cn1ccnc1 97048600 UZJLLIYMUWHXJR-UHFFFAOYSA-N 323.194 2.716 0 40 DFAB CNC(=O)c1ccc(NC(=O)CC[C@@H]2CCCO2)c(Cl)c1 95435090 AOEFAJGXGXLVLM-NSHDSACASA-N 310.781 2.597 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)on1 72295654 WDIFGNZCZKOFIR-CYBMUJFWSA-N 317.393 2.647 0 40 DFAB C[C@H](OC(=O)c1ccccc1-n1cccn1)C1CCOCC1 95450045 WZSKNRKPDIMKTJ-ZDUSSCGKSA-N 300.358 2.844 0 40 DFAB Cc1nn(-c2ccccc2)cc1CNc1ccc(OCCO)nc1 95436155 DTPWJLWRSFKVRJ-UHFFFAOYSA-N 324.384 2.559 0 40 DFAB CC[C@H](CC(=O)OCc1csc(NC(C)=O)n1)SC 95433705 SRIBNHXVFVENDK-SNVBAGLBSA-N 302.421 2.676 0 40 DFAB CCS(=O)(=O)N1CCC[C@@H]1c1ccccc1Br 84811559 DRWFRWZKUBRAKH-GFCCVEGCSA-N 318.236 2.936 0 40 DFAB COc1cccc(F)c1[C@H](C)NCC(=O)N1CCC[C@H](C)C1 95985423 PNWHKVQURDBQCS-STQMWFEESA-N 308.397 2.743 0 40 DFAB CC(C)[C@H](NCc1cc(C#N)ccc1F)c1nnc2n1CCC2 95941302 RBKIAMPEEUMYEF-INIZCTEOSA-N 313.380 2.722 0 40 DFAB CCn1cc([C@@H]2OCC[C@H]2CNCc2scnc2C)cn1 89305980 HWNGIKVKGHVBDM-SWLSCSKDSA-N 306.435 2.535 0 40 DFAB Cc1cnc(C[S@@](=O)c2cc3c(cc2Cl)OCCO3)o1 86304285 OIYIVNNDIHNMGK-FQEVSTJZSA-N 313.762 2.715 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 62712698 CJAJZFIMGRQREW-LOWVWBTDSA-N 318.339 2.694 0 40 DFAB CN1CC[C@@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O 46690852 UXHIGICRGFPYAD-AEFFLSMTSA-N 314.429 2.903 0 40 DFAB CC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 33268524 RQNQZSMSLHKQND-UHFFFAOYSA-N 323.352 2.540 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@H]1c1cccs1 72239379 SDWFMNLAYAVBDJ-WFASDCNBSA-N 318.398 2.567 0 40 DFAB COc1cccc(C[C@H](C)NC(=O)NCc2c(C)noc2C)c1 79036290 AFUDKUIPQCZYLO-NSHDSACASA-N 317.389 2.730 0 40 DFAB CCOC(=O)c1csc(NC(=O)NCc2cccs2)n1 36709112 CTMKVEJZGCENQI-UHFFFAOYSA-N 311.388 2.703 0 40 DFAB Cc1c(CCC(=O)N2CCC[C@H](c3nccs3)C2)cnn1C 128610035 GNZXCQKRUJAKTP-AWEZNQCLSA-N 318.446 2.524 0 40 DFAB Cc1nn(-c2ccc(C(=O)N(C)C)cc2)c(C)c1Br 32826706 MKROZCXEVITWGA-UHFFFAOYSA-N 322.206 2.953 0 40 DFAB CC(=O)N1CCC([C@@H]2CCCCN2Cc2ccccn2)CC1 72363813 YBCAZOJLYKQJDV-SFHVURJKSA-N 301.434 2.695 0 40 DFAB O=C(Nc1nccs1)[C@@H]1CCCN1Cc1ccc(Cl)nc1 72632536 VFNNHSZBMHQRME-NSHDSACASA-N 322.821 2.795 0 40 DFAB CCC(=O)NCc1ccc(I)c(C)c1 225591007 GJGIJOSBGZLKKV-UHFFFAOYSA-N 303.143 2.626 0 40 DFAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccccc3F)cc2C1 49551229 WBVBFKGACKGLAT-LLVKDONJSA-N 314.360 2.569 0 40 DFAB Cc1c[nH]cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC(C)(C)C)C2 569474224 LKGWIYCMSJYTGJ-OBJOEFQTSA-N 304.390 2.658 0 40 DFAB CO[C@@H](CNC(=O)c1cnc(C)cn1)c1cccc(Cl)c1 81324515 IIMJGJZZOJDFKZ-AWEZNQCLSA-N 305.765 2.556 0 40 DFAB CN(C)[C@H]1CC[C@H](NC(=O)c2ncoc2-c2ccc(F)cc2)C1 225389068 AUPQPWRDQWBHAS-KBPBESRZSA-N 317.364 2.693 0 40 DFAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC 222934076 JMRIHRZNXPVTAH-LBPRGKRZSA-N 310.825 2.993 0 40 DFAB Cc1cc(S(=O)(=O)NCc2nc(C)c(C)o2)sc1Cl 195578762 SRHIZRCHSLQNRX-UHFFFAOYSA-N 320.823 2.793 0 40 DFAB CCOc1cc2c(cc1OCC)CN(Cc1ncccn1)CC2 191895948 PDVQRFRAFUECIS-UHFFFAOYSA-N 313.401 2.832 0 40 DFAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)Nc1cccs1 85559565 CQSAZBODTCSYOT-LBPRGKRZSA-N 304.371 2.538 0 40 DFAB CN(Cc1ccncc1Cl)[C@H](C(N)=O)c1cccc(F)c1 96445699 MBIROWHVRNMPNE-AWEZNQCLSA-N 307.756 2.533 0 40 DFAB O=C(NCc1cc[nH]n1)N(Cc1ccccc1F)C1CCC1 95412388 NMDXKDBMSDOWGA-UHFFFAOYSA-N 302.353 2.813 0 40 DFAB CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)[nH]n1 331341877 YEDGHAPWDSJVTQ-SNVBAGLBSA-N 319.327 3.495 0 40 DFAB O=C(OCc1ccc2[nH]nnc2c1)[C@H]1C[C@@H]1c1ccccc1F 95948575 IEYHCONIGPEFPG-OLZOCXBDSA-N 311.316 2.944 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1cccc(-c2nccn2C)c1 96434629 RQHGBDRKGIDWMT-HNNXBMFYSA-N 314.389 2.730 0 40 DFAB O=C(NCCOc1ncccc1Cl)NCc1ccsc1 96473378 ARPAOANIBYZPEB-UHFFFAOYSA-N 311.794 2.675 0 40 DFAB Nc1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 96756115 UKEBSUUHIPYCFY-DHZHZOJOSA-N 307.397 2.631 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 96408231 YKTSVTKMQBECJR-QRQCRPRQSA-N 321.442 2.877 0 40 DFAB O=S(=O)(Nc1ccc(N2CCCCC2)cn1)c1cccs1 96408040 XRVAZONXQRCAQX-UHFFFAOYSA-N 323.443 2.934 0 40 DFAB CN(C)CC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 248149771 WYCLXIYKNLTMPU-KRWDZBQOSA-N 302.397 2.531 0 40 DFAB c1csc(CN2CCO[C@@H]3[C@H](Cn4ccnc4)CC[C@@H]32)c1 247831539 LOOWRQSBBHDMPO-CWRNSKLLSA-N 303.431 2.624 0 40 DFAB COCCN1CCC[C@H](c2nccnc2-c2scnc2C)C1 257245348 IPBYOLQLRKEBCE-ZDUSSCGKSA-N 318.446 2.734 0 40 DFAB Cc1cncc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257255330 KHBHKWNIWSWFPH-HNNXBMFYSA-N 309.435 2.584 0 40 DFAB CCCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575404247 LBZUPXNPISFZML-KRWDZBQOSA-N 313.401 2.611 0 40 DFAB COC(=O)C[C@H](NC(=O)c1scnc1C)c1ccc(C)cc1 48734599 HZVGYRFDWSLBET-ZDUSSCGKSA-N 318.398 2.794 0 40 DFAB COc1ccccc1N(C)Cc1cc(=O)n2c(C)csc2n1 53266591 DIZFJQXJXWJXEH-UHFFFAOYSA-N 315.398 2.709 0 40 DFAB COc1ccccc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 95434459 XQGKZXKNKWYXIS-YPMHNXCESA-N 305.399 2.999 0 40 DFAB CN(C[C@@H](O)c1cccc(Br)c1)[C@@H]1CCSC1 89936538 LDRWGJYXFNRVBE-CHWSQXEVSA-N 316.264 2.920 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccnc2N)C1 1959373116 DKMRXNHKBDKPSB-LBPRGKRZSA-N 306.410 2.723 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13320679 MTBGZAOPOJSLPB-XCCSTKFXSA-N 307.777 2.703 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNc1cn[nH]c(=O)c1Cl 167667199 ZWKVOGTUVQFCOB-LLVKDONJSA-N 319.792 2.964 0 40 DFAB CN(C)CCN(C(=O)c1cc2ccccc2o1)C1CCOCC1 206665566 ZFNNCBPRFXWNSN-UHFFFAOYSA-N 316.401 2.616 0 40 DFAB O=S1(=O)CCCN1Cc1cccc(-c2ccccc2O)c1 521398300 ABLJEMUKEFGGAE-UHFFFAOYSA-N 303.383 2.595 0 40 DFAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCOCC2)s1 19819573 VGIFYPMZLIHSPG-UHFFFAOYSA-N 322.455 2.971 0 40 DFAB Cc1nc(NC(=O)Cc2cc(F)cc3c2OCOC3)sc1C 9952024 IRNYEFRPRBJLHT-UHFFFAOYSA-N 322.361 2.947 0 40 DFAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1cccs1 11604984 DOLXGISDPIGBRX-LBPRGKRZSA-N 312.398 2.879 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 25716660 LRSFOEDTBAKWHQ-CYBMUJFWSA-N 314.341 2.732 0 40 DFAB O=C(O)[C@@H](Cc1cccc(Br)c1)N1CCCCC1 41562993 LXJVCJWWKNYMOQ-CYBMUJFWSA-N 312.207 2.931 0 40 DFAB CCc1ncnc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)c1F 2087130951 NSPYRQSJXBKNEX-LBPRGKRZSA-N 322.428 2.651 0 40 DFAB NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 4275737 FILUXRKYLRQWFX-UHFFFAOYSA-N 303.368 2.709 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 13695969 CBMRENTXFGHXSK-UHFFFAOYSA-N 324.380 2.785 0 40 DFAB CC(C)(C)C(=O)NC1CCN(CCOc2ccccc2)CC1 1004020703 JTAQGAMFQSNFTO-UHFFFAOYSA-N 304.434 2.692 0 40 DFAB Cc1occc1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 20010782 DPUKJBCSTAJLQN-UHFFFAOYSA-N 315.297 2.837 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc2c(c1)CCO2 30295885 CYESXHPAUATEPY-UHFFFAOYSA-N 323.396 2.547 0 40 DFAB O=C(NCCCN1CCc2ccccc21)c1ccc2[nH]cnc2c1 31254046 VYHYGUFTMMRTEQ-UHFFFAOYSA-N 320.396 2.746 0 40 DFAB Cc1nc(C(=O)N2CCCC[C@H]2C)nn1-c1ccc(F)cc1 40474287 JKCHTCNJTQFATR-LLVKDONJSA-N 302.353 2.729 0 40 DFAB COCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 40463035 AXKKPNIBNNNCDE-UHFFFAOYSA-N 315.369 2.537 0 40 DFAB CC[C@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 31684401 MQVCLJWJLQGKFR-ZDUSSCGKSA-N 313.401 2.504 0 40 DFAB C[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1cccs1 40553236 VYUSNGJBVOXWHR-NSHDSACASA-N 315.398 2.769 0 40 DFAB CNC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 40595154 XIPLKPVAWAJCTJ-NSHDSACASA-N 311.223 2.521 0 40 DFAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)c1cc(F)ccc1F 51319354 GTVAJCJGIHESLW-MRXNPFEDSA-N 316.307 2.717 0 40 DFAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCC1 32247616 RCWCACFATZJBGN-UHFFFAOYSA-N 321.380 2.848 0 40 DFAB COCCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1O 32817708 YDSQJELMKMRBNM-UHFFFAOYSA-N 309.749 2.927 0 40 DFAB C[C@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@H]1N(C)C 76056720 LGLWKBJCRBSSEO-ZUZCIYMTSA-N 305.809 2.843 0 40 DFAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccsc2)ccc1F 78899970 HYBXVSYDEJSFNK-UHFFFAOYSA-N 314.363 2.646 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC(O[C@H]2CCOC2)CC1 79000024 PYRJFSUJNOXYJA-KRWDZBQOSA-N 321.392 2.555 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H]3CCOC3=O)cc12 32945398 QRCFVJUYZUIKFV-LLVKDONJSA-N 322.386 2.535 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 4192314 ODPNZLMTXRXZDB-ZQIUZPCESA-N 305.418 2.892 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)NCC1CCCCC1 6120013 ZUSCPICGFLHFHZ-LBPRGKRZSA-N 305.374 2.634 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C 7066336 AJSSNSYUOUZLBB-OLZOCXBDSA-N 304.390 2.719 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2F)no1 7522875 ALVPFPUWQJECGW-UHFFFAOYSA-N 312.684 2.571 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1c1ccco1 84290458 NOWRKTGEMZRVRU-UONOGXRCSA-N 309.369 2.858 0 40 DFAB CN[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 53201929 SLBIQRNAJXZUDC-GFCCVEGCSA-N 311.223 2.582 0 40 DFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2N3Cc2ccco2)Nc2ccccc21 100119482 YTMGEMWUZSXDMB-IWEFOYFVSA-N 309.369 2.568 0 40 DFAB Cc1noc(C)c1COc1ccc(CC(=O)NCC2CC2)cc1 22971807 KNNNDPPBETUTGX-UHFFFAOYSA-N 314.385 2.939 0 40 DFAB CCC(=O)N[C@H](CCSC)C(=O)N[C@H](C)c1ccccc1C 54057658 JTTNOZDFGOHQLE-UKRRQHHQSA-N 322.474 2.820 0 40 DFAB CC1([C@H]2CCCN(C(=O)c3cccc4[nH]ccc34)C2)OCCO1 97108133 WBMOGAVUGHVJDS-ZDUSSCGKSA-N 314.385 2.783 0 40 DFAB NC(=O)c1ccc(CSc2nnc3[nH]c4ccccc4n23)cc1 12516754 PSNGIXINKKUGMB-UHFFFAOYSA-N 323.381 2.602 0 40 DFAB O=C1CC[C@@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)N1 69780621 YAMCDXGDERJSRT-HNNXBMFYSA-N 316.307 2.849 0 40 DFAB NS(=O)(=O)c1cccc(CNc2nc3ccccc3s2)c1 24658798 HLDDVXGLTOXCMQ-UHFFFAOYSA-N 319.411 2.556 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c2n1 101639406 XYRPFHDEFRNJCD-KBUPBQIOSA-N 312.417 2.901 0 40 DFAB COc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 106137983 DCWHGDATGBPTRG-KBPBESRZSA-N 305.422 2.937 0 40 DFAB CCN(C(=O)c1cc[nH]n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106575549 WTMZFMAWSYKQON-ZBFHGGJFSA-N 312.417 2.707 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCN(C)C(=O)C2)c1 56001802 ABVADEOWNTXRJX-HOTGVXAUSA-N 300.402 2.527 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)CCCOC)cc1Cl 56151893 YZKNFGJUYZELKL-UHFFFAOYSA-N 312.797 2.845 0 40 DFAB COC(=O)NCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56362930 CBMRXRLLJBEUFA-MRXNPFEDSA-N 312.369 2.859 0 40 DFAB COc1cc(C(=O)O[C@H](C)c2ccc(-n3cccn3)cc2)on1 97108265 PUKGWMXGNCIRRS-LLVKDONJSA-N 313.313 2.787 0 40 DFAB NC(=O)[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 97139961 JXNVJQQHNJQRJD-QGZVFWFLSA-N 324.359 2.709 0 40 DFAB CNC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c1 12606181 CHXGFNPQPXHPNJ-CYBMUJFWSA-N 311.385 2.794 0 40 DFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cccs1 48237803 APKPLEWPZCFCCM-CYBMUJFWSA-N 321.373 2.850 0 40 DFAB COc1cccc(CCC(=O)N[C@H](C)c2ccncc2)c1OC 48285630 BBCSLCVQPIXJQC-CYBMUJFWSA-N 314.385 2.909 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)CSC1=NCCS1 58171647 UXSHTCSHTFSXKT-GFCCVEGCSA-N 308.472 2.960 0 40 DFAB CCN(CC)C(=O)C1CCN(C(=O)Cc2ccc(C)s2)CC1 58283361 SJWQPZVSBGXBIO-UHFFFAOYSA-N 322.474 2.706 0 40 DFAB O=C(CCc1ccccc1O)Nc1ccn(Cc2ccccn2)n1 58292013 ZQCOUTPWHAZUHK-UHFFFAOYSA-N 322.368 2.603 0 40 DFAB CCCc1noc(CCC(=O)N[C@H]2CCOc3ccccc32)n1 28438504 BJHGUCKPSKIZTR-ZDUSSCGKSA-N 315.373 2.595 0 40 DFAB Cc1cccc(N2CCN(CCC(=O)NC3CCCC3)CC2)c1 46024962 SEQBJLZHRGQHBT-UHFFFAOYSA-N 315.461 2.566 0 40 DFAB Cc1nn(CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1Br 18021098 UGAXJRNBMCVUQF-AOOOYVTPSA-N 314.227 2.744 0 40 DFAB O=C(NCCC1=CCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 27389851 OSJXJFKBBPYROK-HNNXBMFYSA-N 316.401 2.635 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 18196647 HLFBZWAZGXZUSH-ZJUUUORDSA-N 323.732 2.644 0 40 DFAB Fc1ccccc1Cn1ccs/c1=N\C(=S)NC1CC1 18146176 DXVUZFAGXBJJLB-VKAVYKQESA-N 307.419 2.675 0 40 DFAB CN(C)CCCn1c(S)nc2sc3c(c2c1=O)CCCC3 3887439 SHXWJBXOVNUXBT-UHFFFAOYSA-N 323.487 2.577 0 40 DFAB CCCCC1=NN(C(=O)c2ccncc2)[C@](O)(C(F)(F)F)C1 4163571 MYZGVWRRLGHYGP-CYBMUJFWSA-N 315.295 2.725 0 40 DFAB O=S(=O)(c1ccc2c(c1)N=C(O)CS2)N1CCCCC1 6226562 NSEIIQOQNINUJQ-UHFFFAOYSA-N 312.416 2.555 0 40 DFAB CC(C)NC(=O)CCNc1nccc(Oc2ccc(F)cc2)n1 65502337 GBRUXJYQUFOJFJ-UHFFFAOYSA-N 318.352 2.735 0 40 DFAB Cc1cc(C(=O)N2CCN(C3CCSCC3)CC2)c(C)o1 92909317 VJTXHWBLZQZWES-UHFFFAOYSA-N 308.447 2.550 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1 7216264 UOBKZCZPHVRQBV-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB Cc1noc(C)c1CNC(=O)N1CCN(CCC(C)(C)C)CC1 67762524 OUCABVSHJQZHFL-UHFFFAOYSA-N 322.453 2.555 0 40 DFAB Cc1noc(CNc2ccc(CCC(=O)N3CCCC3)cc2)n1 67960119 CFCCVMQUQMXUIH-UHFFFAOYSA-N 314.389 2.545 0 40 DFAB Cn1cc(CN[C@@H]2CC(C)(C)OC2(C)C)c(C(F)(F)F)n1 90666326 SNNGAEBNRZLHGJ-SNVBAGLBSA-N 305.344 2.875 0 40 DFAB CCOC[C@H]1CCN(C(=O)N[C@H](c2ccccn2)C(C)C)C1 81497249 KYWHXEYCWHJCIQ-HOCLYGCPSA-N 305.422 2.847 0 40 DFAB CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 69414177 SASHJMFQDAOLMB-CYBMUJFWSA-N 324.471 2.551 0 40 DFAB CCc1nnc2n1C[C@H](CNc1ncnc3ccsc13)CC2 69560894 PJMAJOLDNZBTRS-JTQLQIEISA-N 314.418 2.520 0 40 DFAB C[C@@H](NCC[C@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 96491284 IDXPHEUFTGJFRC-GDBMZVCRSA-N 317.433 2.778 0 40 DFAB c1ccc2oc(N(C[C@@H]3CCCO3)C[C@H]3CCCO3)nc2c1 71811069 BPPNGOISGMNBGA-OKILXGFUSA-N 302.374 2.992 0 40 DFAB Cc1cccc(C)c1OC1CCN(C(=O)c2csnn2)CC1 71821168 ISRJKUPZROCTPY-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(N)=O)cc2)n1 71873566 GHBDSEVMNMITTP-UHFFFAOYSA-N 309.291 2.932 0 40 DFAB CCc1nc(CN2CCN([C@@H](C)c3cccnc3)CC2)cs1 71915643 FKHGBQCLDGQUGO-AWEZNQCLSA-N 316.474 2.979 0 40 DFAB O=C(CCc1ccsc1)NCC(=O)Nc1ccc(F)c(F)c1 9689938 YTKLDKLYLZVMOT-UHFFFAOYSA-N 324.352 2.714 0 40 DFAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cn1ccnc1 97079938 NMXFSSCSXRFKOS-LLVKDONJSA-N 311.307 2.649 0 40 DFAB CS[C@@H](C)C(=O)NCCc1nc2cc(Cl)ccc2n1C 72275331 QDSAEZZKHNICDI-VIFPVBQESA-N 311.838 2.637 0 40 DFAB CCO[C@@H](C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 72271110 MEYBASUODMZFRI-NSHDSACASA-N 303.314 2.862 0 40 DFAB O=C(CCCOc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 72282797 KIRPVEMNUMMFLN-OAHLLOKOSA-N 313.401 2.975 0 40 DFAB Cc1ccc(-n2[nH]c(C(=O)Nc3cccc(C)c3O)cc2=O)cc1 95443698 KDNPVKHDYGUMSK-UHFFFAOYSA-N 323.352 2.740 0 40 DFAB C[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1 95455737 RHKYORNANDLQKA-NHYWBVRUSA-N 317.389 2.724 0 40 DFAB O=C(NC1CCCCC1)N1CCN(c2cccc(O)c2)CC1 95401323 NHBXWXYRMJVDSH-UHFFFAOYSA-N 303.406 2.557 0 40 DFAB COc1ccc(Cl)cc1[C@@H](C)NC1CCN(C(N)=O)CC1 95422391 ASYATLSXKRKMGY-SNVBAGLBSA-N 311.813 2.542 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCc1ccc(-c2ccccc2)o1 95965114 SUGUIRJHVGMZPH-MRXNPFEDSA-N 314.385 2.859 0 40 DFAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](CCO)C(C)(C)C)C2 95993438 DWDDUDQGZYNCHE-HOTGVXAUSA-N 305.418 2.520 0 40 DFAB O=C1NCCc2ccc(NC(=O)[C@H]3CSc4ccccc43)cc21 95960234 XEKVQQGVTKNGCD-HNNXBMFYSA-N 324.405 2.801 0 40 DFAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(C2CCCCC2)n[nH]1 95976142 HKFPIYGHTJEDJH-STQMWFEESA-N 319.405 2.529 0 40 DFAB CCO[C@@H]1C[C@@H](OC(=O)c2ccc3nnc(C)n3c2)C12CCC2 95966950 ILTQYRGTVHHONN-ZIAGYGMSSA-N 315.373 2.542 0 40 DFAB COC(=O)[C@@H]1CCC[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 95994657 MLUGMCWPTPCJGB-VXGBXAGGSA-N 302.330 2.664 0 40 DFAB c1ccc(-c2nc(CN3CCC(n4ccnc4)CC3)no2)cc1 75139000 IIXLXEJPZCUNBC-UHFFFAOYSA-N 309.373 2.770 0 40 DFAB CC(C)(C)SCCNC(=O)NC[C@H](O)c1ccsc1 89694515 HFBLUNRGYVBZFB-NSHDSACASA-N 302.465 2.612 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)c2ccc(N(C)C)cc2)o1 89652820 AMPLUFMHHIWDDK-MRXNPFEDSA-N 314.385 2.868 0 40 DFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1ccccc1 89828084 LIVYHNCFCDJIKG-QGZVFWFLSA-N 308.381 2.841 0 40 DFAB O=C([C@@H]1SCCc2sccc21)N1CC[C@]2(CCOC2)C1 89885350 MPRDJYVOGBZGNK-HIFRSBDPSA-N 309.456 2.718 0 40 DFAB Cc1occc1C(=O)N1CCn2c(-c3cccnc3)cnc2C1 306124629 BVDMFYGLNCXHAH-UHFFFAOYSA-N 308.341 2.503 0 40 DFAB COc1ccc(CN(C)Cc2ccc(C(N)=O)cc2)cc1F 32851017 WSFBYGDPBNISJU-UHFFFAOYSA-N 302.349 2.565 0 40 DFAB CC[C@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)c1ncc[nH]1 548733848 BTONCTFIJXPFOU-ZDUSSCGKSA-N 319.792 2.808 0 40 DFAB CCn1cc(C(=O)O[C@H](c2ccccc2)c2nc(C)no2)cn1 79705190 DXJUOFDOOFBKBL-CQSZACIVSA-N 312.329 2.541 0 40 DFAB Cc1nnsc1-c1nnc2sc(-c3ccc(F)cc3)nn12 72405848 AKBHUYSJBJEWLA-UHFFFAOYSA-N 318.362 2.819 0 40 DFAB CN(CCn1cccn1)Cc1c(C(=O)O)sc2ccccc12 565106388 YEBPMVVTHSFNRV-UHFFFAOYSA-N 315.398 2.928 0 40 DFAB O=C(O)c1nccnc1C(=O)Nc1c(Cl)cccc1Cl 31813668 UFRNMTGGXATTBT-UHFFFAOYSA-N 312.112 2.734 0 40 DFAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1 71285127 NFMLURSYSURZED-UHFFFAOYSA-N 312.325 2.524 0 40 DFAB Cc1nc(C)c(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)s1 563370290 JHLOGBNTHWNIAR-PBHICJAKSA-N 315.442 2.869 0 40 DFAB CC(C)N1CCC[C@@H](SCCC(=O)OC(C)(C)C)C1=O 225641069 OQTPBNCOZCYMDE-GFCCVEGCSA-N 301.452 2.851 0 40 DFAB CC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CCS1 225457744 YWISUGUYDFBLDO-TZMCWYRMSA-N 313.488 2.979 0 40 DFAB O=C1[C@@H](Sc2nncs2)CCCN1Cc1ccccc1 89635583 VWZNWZJCLSCIQV-LBPRGKRZSA-N 305.428 2.821 0 40 DFAB CCc1cccc(N2CCC(NC(=O)c3ccnc(C)n3)CC2)c1 61558422 CEAYBGBDJYVHGJ-UHFFFAOYSA-N 324.428 2.746 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)O[C@H](C)Cn2cccn2)n1 83797679 JIUUXBZPAIWTAS-SNVBAGLBSA-N 308.769 2.695 0 40 DFAB CCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1 225659553 GMYHEWMMPXNXJW-UHFFFAOYSA-N 315.445 2.592 0 40 DFAB C[C@@H]1CCCN(Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C 192054957 IJNFCCMCPYNJTL-ZIAGYGMSSA-N 320.437 2.602 0 40 DFAB O=C(Nc1cccnc1)c1ccn(-c2ccc3ccccn23)n1 96155307 PIMRASVLQWPUAP-UHFFFAOYSA-N 303.325 2.772 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H](C(=O)O)C1)c1cc2ccccc2o1 97231375 NKLLPYXPLLSGJJ-DGCLKSJQSA-N 301.342 2.860 0 40 DFAB COC[C@@H]1COCCC12CCN(Cc1nc(C)cs1)CC2 96207936 WYUOQVZUEHCEMF-CQSZACIVSA-N 310.463 2.717 0 40 DFAB Cc1nnc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)s1 96491037 POBCWGOQQOACFF-SECBINFHSA-N 302.403 2.582 0 40 DFAB O=C(c1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1 96259282 JJBAACWZTYIWEX-UHFFFAOYSA-N 324.428 2.525 0 40 DFAB FC(F)(F)c1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1 96269261 LKIUDNBJEGMBSN-ZDUSSCGKSA-N 311.307 2.591 0 40 DFAB biogenic,in-vitro CC/C=C(\C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 42721901 HZCYPRWULNZXIM-VGOFMYFVSA-N 316.449 2.913 0 40 DFAB COc1ccc2nn(-c3cc4ccc(OC)cc4oc3=O)nc2c1 255189541 QNFHUJXNIPAZGJ-UHFFFAOYSA-N 323.308 2.544 0 40 DFAB C[C@@]12CC[C@@H]3[C@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 256436489 OLPSAOWBSPXZEA-DXNUVPBBSA-N 304.430 2.850 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(Cl)cc2)n1 257244517 ILSPEFYKIFLLNZ-ZDUSSCGKSA-N 305.765 2.585 0 40 DFAB COc1ccc(CCN(C)C(=O)c2scnc2C)cc1OC 46573635 RJYIGTRDIQJQCK-UHFFFAOYSA-N 320.414 2.783 0 40 DFAB COc1c(C)cnc(CNC(=O)CCc2ccccc2O)c1C 50449067 DGKJAKFJYUSDQE-UHFFFAOYSA-N 314.385 2.662 0 40 DFAB COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccsc1)C2 64385032 BTMKJSUHZQQERI-CQSZACIVSA-N 317.410 2.966 0 40 DFAB Nc1ccc(Br)c(F)c1I 199741024 WFNGHQDVQUWGEX-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB CO[C@@]1(COc2ccccc2C)CCN(C2CCOCC2)C1 1615140648 RWVSTYSILJHMPX-SFHVURJKSA-N 305.418 2.644 0 40 DFAB CN1C[C@@H](C(=O)NC2CCCCC2)[C@@H]2COc3ccccc3[C@@H]21 1772595558 FVZXMBSASWPXIH-RYRKJORJSA-N 314.429 2.747 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cnc3ccccc3n2)c1 5425338 SZUNHRXMPWGAOW-UHFFFAOYSA-N 321.336 2.977 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)c12 169680649 WTPPIYXLOBATQA-FVQBIDKESA-N 310.397 2.978 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)COc1ccc2ccccc2c1 3462714 RKSCHORFCHODEV-ZDUSSCGKSA-N 315.369 2.677 0 40 DFAB Cc1cccc(CC(=O)NC[C@@]2(O)CCCc3sccc32)c1 1889128201 QEAVRDCLEOBSGK-SFHVURJKSA-N 315.438 2.939 0 40 DFAB CC1CC(C(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)C1 1565554435 QXMSASVNIRZDFG-FVKWTLKZSA-N 318.442 2.750 0 40 DFAB Cc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)cc1 4653925 QJFSIKWLBQATBN-ZSOIEALJSA-N 306.321 2.641 0 40 DFAB COc1cccc(CN/C=C2/C(=O)Nc3ccccc32)c1OC 100372455 KNYWUTSCMULPNG-SDNWHVSQSA-N 310.353 2.787 0 40 DFAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1=COCCO1 10427353 SPBFBWMNUSTOCL-UHFFFAOYSA-N 321.336 2.852 0 40 DFAB C[C@@H]1[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)CCC[C@H]1C 101194030 JUOJRKSGBSGLNG-BFJAYTPKSA-N 300.402 2.733 0 40 DFAB NC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 367266 UNOBUPWNLOUXTD-UHFFFAOYSA-N 306.724 2.759 0 40 DFAB CSc1ncccc1C(=O)NC[C@H](c1cccs1)N(C)C 32721211 ONZPEIWHFFRHBN-GFCCVEGCSA-N 321.471 2.898 0 40 DFAB Cc1c(NC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C 152131 GSTDWLBLTIOEHH-UHFFFAOYSA-N 314.389 2.502 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2Cc2c(C)nn(C)c2Cl)c1 69738443 BLXDSFCLEKKLDC-CQSZACIVSA-N 321.856 2.942 0 40 DFAB CC(C)(C)CCOC(=O)c1cccc(C(=O)N2CCCC2)n1 76091162 YKHQNQADHVMNOK-UHFFFAOYSA-N 304.390 2.911 0 40 DFAB O=C(c1ccccc1)N1C[C@H]2CC[C@@H]1CN2C(=O)c1ccccc1 1558839 UXMQOMVOTBFRSO-QZTJIDSGSA-N 320.392 2.816 0 40 DFAB COC[C@@H]1CN(c2ccc3c(Cl)ccnc3c2F)CCO1 78342669 HTFLHILBGKAYQX-JTQLQIEISA-N 310.756 2.879 0 40 DFAB C[C@H](CNC(=O)c1cccnc1Cl)N(C)c1ccccc1 78934943 PNRBGNVJZWEKRO-GFCCVEGCSA-N 303.793 2.990 0 40 DFAB O=C(NCc1nncn1-c1ccccc1)c1ccc(Cl)s1 32911471 HTJPFBUDSPRXOP-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB Fc1cc(Cl)cnc1N1CCC(O[C@H]2CCOC2)CC1 79302258 WKPGWRAHKOCWEN-LBPRGKRZSA-N 300.761 2.648 0 40 DFAB O=C(Nc1ncn(Cc2ccccc2F)n1)c1ccccc1F 2794096 DCIGBGXVTCZIDY-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1 7927706 CAPJYWBCOPWPIJ-UHFFFAOYSA-N 322.773 2.635 0 40 DFAB CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22227440 KMIUNTOKRXMKSF-UHFFFAOYSA-N 321.730 2.716 0 40 DFAB COCC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 53390780 SDJZHQNJONNCPE-UHFFFAOYSA-N 304.434 2.716 0 40 DFAB CCN(CC)S(=O)(=O)N[C@H](c1ccc(F)cc1)C(C)C 23403287 YOKADVLYPROGIA-AWEZNQCLSA-N 302.415 2.699 0 40 DFAB CCN(Cc1cccs1)CN1C(=O)C(=O)c2ccccc21 23701532 USGIBRPGQGXDIV-UHFFFAOYSA-N 300.383 2.757 0 40 DFAB O=C(NCCc1ccsc1)c1ccc(N2CCOC2=O)cc1 43034892 RJSKDJKMIMWZAJ-UHFFFAOYSA-N 316.382 2.677 0 40 DFAB Cc1ccc(Cn2nc(C)c(NC(=O)[C@@H]3CCCO3)c2C)cc1 27922219 RUGVKCXXVPGGRG-INIZCTEOSA-N 313.401 2.974 0 40 DFAB FC(F)(F)c1cccc(-c2nnn(CCc3ccncc3)n2)c1 12515381 SDQUOCNKYIZCMG-UHFFFAOYSA-N 319.290 2.997 0 40 DFAB CC(C)N(CCNCc1nnc(-c2ccccc2)o1)C(C)C 22037985 NPXHNOIAAVJSSV-UHFFFAOYSA-N 302.422 2.945 0 40 DFAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1c1ccccc1 25610359 PFQXZDIIDXOBSX-MRXNPFEDSA-N 319.364 2.672 0 40 DFAB CC(C)c1ccccc1OCCNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108105697 SWIACILVBMXPNG-FRFSOERESA-N 318.417 2.808 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)C[C@H]1C=CCC1)C2 97198131 UREVGIFITDOXCJ-KBPBESRZSA-N 301.434 2.968 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccnc(Cl)c2)C1 48267597 UFLIEXZJIZPLJI-CHWSQXEVSA-N 309.841 2.833 0 40 DFAB O=C(CCNC(=O)Nc1ccc(F)cc1F)Nc1ccncc1 58200798 HACJMGJYOWPELV-UHFFFAOYSA-N 320.299 2.510 0 40 DFAB CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 58278773 TWSPMEVMFREFTG-NEPJUHHUSA-N 310.825 2.550 0 40 DFAB CCc1ccsc1C(=O)NCCCNC(=O)c1cccs1 58280708 JOYPCKRKFGGJTD-UHFFFAOYSA-N 322.455 2.922 0 40 DFAB Cn1cccc1C(=O)OCC(=O)c1ccc(Br)cc1 3362237 VBKBGKOOOQPUGI-UHFFFAOYSA-N 322.158 2.827 0 40 DFAB NC(=O)[C@H]1CCCCN1Cc1csc(Cc2ccccc2)n1 44936878 XBWVTMYNEDSXOA-OAHLLOKOSA-N 315.442 2.574 0 40 DFAB O=C(CCC1CCCC1)NCCCNC(=O)c1cccc(O)c1 58356284 PYJLFTOJEOTBSI-UHFFFAOYSA-N 318.417 2.599 0 40 DFAB CC(C)=CC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 58365067 XGMCVVJVKKQXEY-GFCCVEGCSA-N 307.419 2.595 0 40 DFAB Cc1nnc2n(c1=O)N[C@H](c1c(Cl)cccc1Cl)S2 28114165 ASOBMANECNHGFK-VIFPVBQESA-N 315.185 2.602 0 40 DFAB O=C(/C=C/Sc1ccccc1)Nc1ccc(-n2cnnn2)cc1 12765206 KUEGNGOGWPINBK-ZHACJKMWSA-N 323.381 2.907 0 40 DFAB Cc1ccc([C@H](C)NC(=O)c2cc(C)nc3ncnn23)c(C)c1 36618956 VFACCMLWMPGYMQ-ZDUSSCGKSA-N 309.373 2.541 0 40 DFAB Cc1noc([C@@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)n1 45914020 GWJMPYVJTHYZPM-WBMJQRKESA-N 301.390 2.885 0 40 DFAB CC(C)(C)c1noc([C@H]2CC(=O)N(CCc3cccs3)C2)n1 38671182 YEEUSERBHSULHJ-NSHDSACASA-N 319.430 2.987 0 40 DFAB CC(=O)Nc1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 13250301 QEDMDWKBCUJNDM-UHFFFAOYSA-N 304.346 2.619 0 40 DFAB COC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccc(C)cc1 4062427 NQBGFMQBDPKNCW-BNOWGMLFSA-N 318.369 2.555 0 40 DFAB biogenic Cc1nccn1[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 69969835 ABBWDUHPTDSRGA-AWEZNQCLSA-N 321.384 2.612 0 40 DFAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)cc1O 49544098 HPVFYULVQJEPIX-AWEZNQCLSA-N 319.386 2.867 0 40 DFAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NC1CC1 4108869 XCDVZLFGGJUGKK-UHFFFAOYSA-N 310.275 2.665 0 40 DFAB CCCN(CCC)C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 65593878 ZAXMJNXAVDSENC-GFCCVEGCSA-N 315.410 2.637 0 40 DFAB CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C1CCCCC1 65593723 LKXKBLAZVCYDNV-SWLSCSKDSA-N 306.406 2.873 0 40 DFAB COc1cc(C(=O)N(C)Cc2ccccc2)cc2c1OCCO2 14117681 VTTWFSLQXPEITE-UHFFFAOYSA-N 313.353 2.739 0 40 DFAB CCC[C@@H]1NC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1=O 14182437 OSMQXEBWCKGWID-LSDHHAIUSA-N 301.390 2.502 0 40 DFAB COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 65608946 JGTLQOLDDRHSNA-CVEARBPZSA-N 324.852 2.528 0 40 DFAB Cc1ccc(NC(=S)NNC(=S)N[C@@H]2C=CCCC2)cc1 4562265 LBDBBOALUNSRCL-GFCCVEGCSA-N 320.487 2.769 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2)cc1 14256633 GMYNKPRCDTYBGU-UHFFFAOYSA-N 319.382 2.836 0 40 DFAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 5480391 YWXJBBHDBDBABT-JWINVHKUSA-N 305.418 2.962 0 40 DFAB COCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699954 QUGIPNVQHWPXTE-AWEZNQCLSA-N 320.433 2.927 0 40 DFAB COc1ccc(Cn2nc(-c3cccs3)oc2=O)cc1F 7251964 JKULAWLKFNHNEL-UHFFFAOYSA-N 306.318 2.761 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 9153940 MCFOHKNBZGFMPH-NVXWUHKLSA-N 314.429 2.764 0 40 DFAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 111926438 QKOLTXHGZYRLAZ-SFHVURJKSA-N 313.422 3.000 0 40 DFAB Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCCC3(C)C)cnc12 91071686 LNGKPMXSPSMTMX-AWEZNQCLSA-N 313.401 2.702 0 40 DFAB CCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 306135568 OUVGMHNWNGMWPL-FQEVSTJZSA-N 321.424 2.982 0 40 DFAB COc1cccc(CNC(=O)c2ccc(OC)c(OC)c2)c1 8379277 NNDMRXBOGIPRDC-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB Cn1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)cn1 69486632 YKOJTOHZFXQHIN-UHFFFAOYSA-N 302.337 2.991 0 40 DFAB O=C(Nc1nc(-c2cccc(OC(F)F)c2)n[nH]1)c1ccco1 69569465 HDQWROZKJHNINQ-UHFFFAOYSA-N 320.255 2.918 0 40 DFAB COc1ccccc1C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 69591713 GPIHNYORNJBQSO-INIZCTEOSA-N 324.380 2.573 0 40 DFAB COc1cccc(CN2CCC[C@@H](OC)C2)c1OC(F)F 91772589 GEXYKBSOOFSRLR-GFCCVEGCSA-N 301.333 2.907 0 40 DFAB Cc1ccc(C2=CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1 9691034 KNCBAPDLZLQQMO-UHFFFAOYSA-N 324.380 2.634 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)c3cnn(CC)c3)C2)n1 72284887 OVUGYDAQTXKXKF-GFCCVEGCSA-N 318.446 2.942 0 40 DFAB Cc1c(CNC(=O)c2cc(-c3ccco3)cs2)cnn1C 72243233 PRSJBARMPXYNLV-UHFFFAOYSA-N 301.371 2.980 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccsc3)C2)no1 72231937 PQJIAALTNVCIDT-ZDUSSCGKSA-N 305.403 2.778 0 40 DFAB Cc1cnn(CCCNC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c1 95411226 QOIHBZMSDISMKV-PMPSAXMXSA-N 304.438 2.944 0 40 DFAB O=C(N[C@@H](CCO)c1cccs1)c1ccn(C2CCCC2)n1 95445751 HJARWVXELZQPQR-ZDUSSCGKSA-N 319.430 2.913 0 40 DFAB O=C(/C=C/c1ccncc1)N[C@@H](C(=O)O)c1ccc(Cl)cc1 95463959 ANZYCBSMDORUMG-KDQAPYGTSA-N 316.744 2.690 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12 95427413 LJMFRAHJXJCUMN-WFASDCNBSA-N 320.458 2.638 0 40 DFAB C[C@H](CNCCS(C)(=O)=O)Cc1ccc(C(C)(C)C)cc1 95443054 QIQMPLSPCBKQSK-AWEZNQCLSA-N 311.491 2.797 0 40 DFAB CCOC(=O)CN(Cc1ccc(C)cc1)C(=O)C1=CCCCO1 73211547 NBHSTUUSHZMERR-UHFFFAOYSA-N 317.385 2.581 0 40 DFAB Cc1nc(CN(C)C(=O)[C@H](O)c2ccccc2)nc2ccccc12 73261516 OPRXTRLMGJHGOH-GOSISDBHSA-N 321.380 2.630 0 40 DFAB Cc1cc([C@@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)c(C)o1 73901112 QEMKELOXGHMMDB-BDJLRTHQSA-N 306.362 2.757 0 40 DFAB CC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCCCC3)on2)C1(C)C 67890108 SXVXXLHFHKSLBC-PBHICJAKSA-N 319.449 2.754 0 40 DFAB biogenic,in-vitro CCc1ccc(CCN[C@@H](CN2CCOCC2)C(C)C)cc1 95941482 AJKQZSOXLVXRJL-IBGZPJMESA-N 304.478 2.738 0 40 DFAB COc1ccccc1C[C@@H](C)N[C@H]1CCCn2c(C)nnc21 95969043 DXEZNGYTLGTTMF-DOMZBBRYSA-N 300.406 2.651 0 40 DFAB C[C@H](NCC(=O)NC(C)(C)C)c1cccc(OC(F)F)c1 89905270 CFJSQLDUPASBLJ-JTQLQIEISA-N 300.349 2.853 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1noc(C2CC2)n1 75605240 IINFEEDLANTBIO-NSHDSACASA-N 321.812 2.979 0 40 DFAB CCOCCCNC(=O)c1cnn(-c2ccccc2)c1CC 30598380 XIDCEDUHHDEJRO-UHFFFAOYSA-N 301.390 2.591 0 40 DFAB CC(C)CCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 30984594 DRCGIDMDYHQMGB-UHFFFAOYSA-N 306.391 2.612 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 38556539 IHAUMKBFUWVUPY-UHFFFAOYSA-N 303.811 2.913 0 40 DFAB CC(C)(C)OC(=O)[C@H](c1ccc(Cl)cc1)[C@H](N)CC(=O)O 54965046 ZZVAXVAHAHQJFS-DGCLKSJQSA-N 313.781 2.567 0 40 DFAB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cscn1 189495765 IVBCBUSEIFDMNX-MRXNPFEDSA-N 304.415 2.947 0 40 DFAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)CC(C)C 72324267 WSPVBKSIKJCRKW-NSHDSACASA-N 323.418 2.506 0 40 DFAB CC(C)(C)OC(=O)N1CC(CNC(=O)OCc2ccccc2)C1 39952057 XSAOENDFFVJNFA-UHFFFAOYSA-N 320.389 2.780 0 40 DFAB COC(=O)[C@H]1Oc2ccc(F)cc2-c2nc(SC)ncc21 72207121 OODQXDRJCVBXLJ-LBPRGKRZSA-N 306.318 2.611 0 40 DFAB CC(C)CC[C@H]1CCCCN1C(=O)c1cnc(C(=O)O)cn1 567902476 NCWNNXXFPJLONJ-GFCCVEGCSA-N 305.378 2.606 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Cc1ccc(F)cc1)CC(C)C 40089056 QKJSJWYJWOBHAK-HNNXBMFYSA-N 324.396 2.645 0 40 DFAB NC(=O)[C@H]1CCCCN1Cc1csc(-c2cccs2)n1 44871288 MBOGFVWTTOGOIU-LLVKDONJSA-N 307.444 2.711 0 40 DFAB CCOC(=O)CNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222546448 OMQKWDIKCSERPC-UHFFFAOYSA-N 323.780 2.564 0 40 DFAB O=C1C[C@@H](C(=O)O)[C@@H](c2ccc(OCc3ccccc3)cc2)O1 85394696 WLERNJMRYDEZQM-NVXWUHKLSA-N 312.321 2.954 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1ccc(-n2ccnc2)nc1 43689581 LYRYEJGHNASYQN-INIZCTEOSA-N 304.353 2.685 0 40 DFAB CCn1ncnc1CSCc1noc(-c2ccc(F)cc2)n1 225590906 DMXPMPLDPNRNAR-UHFFFAOYSA-N 319.365 2.921 0 40 DFAB CC(C)(C)OC(=O)NCC(C)(C)c1nc(-c2ccncc2)no1 89101494 AGHUXWKWASBTSH-UHFFFAOYSA-N 318.377 2.934 0 40 DFAB COc1ccc([C@@H](CC(=O)O)CC(=O)NCc2ccco2)cc1 226752388 DXDMJJWUJUPYBL-CYBMUJFWSA-N 317.341 2.553 0 40 DFAB COc1cc2nn(-c3ccc(Br)cc3)nc2cc1N 226264541 HOKGCFKLFYAVAV-UHFFFAOYSA-N 319.162 2.774 0 40 DFAB COc1cccc(CC2(N)CCN(C(=O)OC(C)(C)C)CC2)c1 96029433 VBRFIULBNJUQOJ-UHFFFAOYSA-N 320.433 2.966 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2CCOC(C)C)cc1 583615534 FGQDJDOSLGLPTJ-ZWKOTPCHSA-N 307.434 2.792 0 40 DFAB O=C(Nc1nccs1)c1nnn(Cc2ccccc2)c1Cl 96183314 QDQORZDEOOLKMT-UHFFFAOYSA-N 319.777 2.689 0 40 DFAB CN1Cc2ccccc2CC2(CCN(c3ccccn3)CC2)C1=O 96063609 GRAJOJNGQIUXMT-UHFFFAOYSA-N 321.424 2.883 0 40 DFAB Cn1ncc(C(=O)Nc2ccc(-n3cccn3)cc2)c1Cl 96181060 QONQRKIDOHOMFM-UHFFFAOYSA-N 301.737 2.512 0 40 DFAB CC1(C)CC(NC(=O)Cc2ccc3c(c2)OCC3)CC(C)(C)N1 95480338 BKLFODRUTDXHSA-UHFFFAOYSA-N 316.445 2.589 0 40 DFAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)CC[C@@H]1Cc1ccccc1 242498487 HHYHPYOUGDVSDD-CXAGYDPISA-N 305.374 2.987 0 40 DFAB Cc1cc(N2CCC(NC(=O)c3cc4ccccc4o3)CC2)n[nH]1 244998756 KSICFEGEFGIBOR-UHFFFAOYSA-N 324.384 2.863 0 40 DFAB Cc1ccc(C[C@H]2CC[C@@H]3CN(Cc4cncn4C)C[C@@H]32)nc1 257241848 HZWRPUMXLLXYSC-GPMSIDNRSA-N 310.445 2.824 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)C1 252506865 XEPMPSHBZXRECY-UMVBOHGHSA-N 320.458 2.744 0 40 DFAB Cc1c(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]c2ccc(F)cc12 257321145 WAFVIIVFRBBLLB-ROUUACIJSA-N 318.392 2.731 0 40 DFAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@@H]2CCCNC2)o1 257221642 DPYVBVNTRSIKBT-KGLIPLIRSA-N 320.437 2.636 0 40 DFAB C[C@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)C1CC1 61976770 DMCJUEBRVDOCFO-ZDUSSCGKSA-N 302.296 2.988 0 40 DFAB Cc1n[nH]c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1Br 48890946 RCVSZKRZIPYYJI-QMMMGPOBSA-N 302.216 2.987 0 40 DFAB O=C(O)[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 62133747 WRAPJURWKCFBPI-LLVKDONJSA-N 306.749 2.902 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(O)cc3)CC2=O)cc1 53490845 FSGCYZWRCRUXEG-CQSZACIVSA-N 324.380 2.946 0 40 DFAB NC(=O)c1cnc(N2CCC[C@H]2c2cccnc2)c(Cl)c1 68661317 CNOBHGOGGBJUGK-ZDUSSCGKSA-N 302.765 2.570 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H](O)C(C)(C)C)CC1 195558512 RSKJRDJPMNCGCV-UONOGXRCSA-N 314.470 2.773 0 40 DFAB Cc1cnc(NC(=O)CC[C@H]2C(=O)Nc3ccccc32)s1 1565524249 CGOSFVKJTAKMRS-LLVKDONJSA-N 301.371 2.906 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC3CC3)n2)cc1 5211034 ZZWRWIDMQJZPFX-SNVBAGLBSA-N 302.403 2.539 0 40 DFAB CCCCCCNC(=O)Nc1nc(CC(=O)OCC)cs1 16638022 OPJBOOVFWZMHRN-UHFFFAOYSA-N 313.423 2.951 0 40 DFAB O=C(c1ccco1)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 19340952 PSQIBNLUJGJHDY-ZDUSSCGKSA-N 324.340 2.744 0 40 DFAB CCN(C)[C@@H]1CN(C(=O)c2cccnc2)C2(CCCCC2)C1 19704920 PVUVUPUIFLUTIQ-INIZCTEOSA-N 301.434 2.951 0 40 DFAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2Cc2ncccc2C)C1 643913053 PTSVXVNFBMFPPD-SJLPKXTDSA-N 301.434 2.613 0 40 DFAB O=S(=O)(C1CCCCC1)N1CCC(Oc2ccncc2)CC1 245015257 LTIKBEBOLDALQN-UHFFFAOYSA-N 324.446 2.587 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 29298833 XAESEVHDUDMLKQ-SFHVURJKSA-N 323.396 2.695 0 40 DFAB CCOC(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C 387970 CMFZBEPNUAKPOH-UHFFFAOYSA-N 315.354 2.532 0 40 DFAB CC(=O)NCCc1ccc(NC(C)=O)c(C(=O)CC(C)C)c1 1888918109 UYGUBBZTZJNUNS-UHFFFAOYSA-N 304.390 2.552 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(F)cn2)CC1 1889085063 CIXVIUOYZJXOHB-UHFFFAOYSA-N 321.787 2.769 0 40 DFAB COC(=O)c1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 13136888 ISULTSRFCMYTGN-GJZGRUSLSA-N 313.353 2.709 0 40 DFAB O=C(CNC(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 8084007 CTZQHGOPFNBOAJ-CQSZACIVSA-N 314.410 2.672 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)NCc2ccccc2F)C1 40119920 JVPGEBYJRGVCHQ-OKILXGFUSA-N 307.413 2.603 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 182928 AXWYNHUTHHJOFQ-UHFFFAOYSA-N 308.337 2.538 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCOc2ccccc21 31703523 BQXWUPQVCJXYOR-MWLCHTKSSA-N 303.280 2.594 0 40 DFAB O=C(NC(=O)c1ccccc1)Nc1ccn(-c2ccccc2)n1 103610 CDIXYZBIKABINF-UHFFFAOYSA-N 306.325 2.834 0 40 DFAB NC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCCC2 483957 GJGJWOGVMDNWEP-UHFFFAOYSA-N 315.398 2.763 0 40 DFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 571559 MYPGXQIRDVNVCZ-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 76092498 ALHSQEDYVRLGQY-GXTWGEPZSA-N 318.377 2.880 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc3C2)c(C)c1 32927589 WBAFBKBAZJGJHM-HNNXBMFYSA-N 317.410 2.585 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC1CCSCC1 76042816 VTUYNPZMVLYRCO-XJKSGUPXSA-N 309.479 2.600 0 40 DFAB O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cccnc1S 78593497 WWVYVPPQXMMIAC-INIZCTEOSA-N 324.405 2.987 0 40 DFAB CCN(CC)CCCNC(=O)c1cc(-c2ccc(O)cc2)on1 3907740 HTBMPLIISPZWDH-UHFFFAOYSA-N 317.389 2.509 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O 4081389 KPTQFNUKAKVGSS-ACJJDMNUSA-N 306.446 2.643 0 40 DFAB biogenic,in-vitro CCCc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 6671830 RMQGJRJOPPSXEO-UHFFFAOYSA-N 307.353 2.627 0 40 DFAB O=C(Nc1ccccc1OC(F)F)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6729699 ADSJURQETKKVPA-PSJXJDHFSA-N 323.295 2.749 0 40 DFAB COc1ccc(CN(C)[C@@H](C)C(=O)NC2CCCC2)c(OC)c1 7266274 LIIGYHQTOQUVEK-ZDUSSCGKSA-N 320.433 2.583 0 40 DFAB Cc1cc(NC(=O)NCc2ccccc2CN2CCCC2)no1 53249352 LGVADVUXTDDVET-UHFFFAOYSA-N 314.389 2.901 0 40 DFAB Cc1cc(C(N)=O)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl 41931748 HDBLARKRYNYRHB-LBPRGKRZSA-N 301.173 2.616 0 40 DFAB CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O 69870378 BKJNODLHWQDPDM-LBPRGKRZSA-N 308.378 2.527 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N(C)c2ccccc2)c1 8485571 CVLZEIAOMCFYAR-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB CNC(=O)c1cccc(NC(=O)NCCCOC2CCCC2)c1 61747934 UGLYDHNKUJJJQF-UHFFFAOYSA-N 319.405 2.517 0 40 DFAB CCCn1c(=O)n(CCC(=O)N[C@H](C)C2CC2)c2ccccc21 23040436 SSMNNCBRGHKKNM-CYBMUJFWSA-N 315.417 2.518 0 40 DFAB CCc1ccc(OC(=O)c2ccc(N3CCNC3=O)cc2)cc1 54304381 JWSALMKSBILJDG-UHFFFAOYSA-N 310.353 2.998 0 40 DFAB CCC(=O)N1CCN(c2ccccc2NC(=O)C(C)(C)C)CC1 9064382 CMZOFHNOUXLUCA-UHFFFAOYSA-N 317.433 2.730 0 40 DFAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2nccs2)CC1 23904154 GKNBYUQIZQSDRO-LLVKDONJSA-N 321.450 2.707 0 40 DFAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)o1 9516850 JTGOHXXSAWVMID-UHFFFAOYSA-N 304.371 2.798 0 40 DFAB COC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 100117411 GJCTYLNZVFYEJY-MBUVNVKMSA-N 314.385 2.538 0 40 DFAB O=C(NCCc1ccc(O)cc1)C1=NO[C@H](c2ccccc2)C1 55319529 FACVZWUDCCDXGD-KRWDZBQOSA-N 310.353 2.569 0 40 DFAB CCON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 1383966 KLDGHKPBLWSXTD-FOIPXRHGSA-N 319.360 2.830 0 40 DFAB CCOC(=O)c1cnc(SC)nc1NCc1ccccc1 1407774 JUVBOQHAEZDXDP-UHFFFAOYSA-N 303.387 2.987 0 40 DFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 3278124 BBVPTOVGZUPXIX-OAHLLOKOSA-N 315.756 2.992 0 40 DFAB in-vitro CCOc1cc(OC)c(CC(=O)OC)cc1Br 106679874 ZOFFVYKQHZCOQE-UHFFFAOYSA-N 303.152 2.572 0 40 DFAB C[C@]1(CO)CCC[C@H]1NC(=O)[C@@H]1SCCc2sccc21 107363818 WWEWQXIAOSMNAV-UMVBOHGHSA-N 311.472 2.746 0 40 DFAB Cc1ccc(-c2c3c(nc4nc(N)nc(N)c24)CCCC3=O)cc1 20673505 ZLYHYJIVQQKNSD-UHFFFAOYSA-N 319.368 2.684 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)[C@@H](C)C2 108386126 UPSGODCTHAMHHH-DGTYYSBCSA-N 322.474 2.685 0 40 DFAB CCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2070775 OGXDJIVMPGVBNZ-JTQLQIEISA-N 324.450 2.504 0 40 DFAB CCNC(=O)C1(NC(=O)c2ccc(F)c(F)c2)CCCCC1 58201979 SRBNDDYIAJXDEP-UHFFFAOYSA-N 310.344 2.534 0 40 DFAB CC(=O)N1CC[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 178627975 LDSQBFIIEHSQKS-URZJAHPPSA-N 315.417 2.873 0 40 DFAB Cc1cnc(NC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)s1 12755696 WXRXHDVVODRJSG-BCPZQOPPSA-N 315.398 2.608 0 40 DFAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC[C@@H]1CCCO1 28297081 ZDGVZHQOOXTXFJ-SJORKVTESA-N 316.445 2.696 0 40 DFAB CC(C)Oc1cccc(CN2C(=O)NC3(CCCC3)C2=O)c1 48374788 WDUIRDSIYJCYIM-UHFFFAOYSA-N 302.374 2.838 0 40 DFAB COc1cccc(-c2ccc3nc([C@H]4CCCNC4)nn3c2)c1 306135617 OWAGXDBPKVIIRW-AWEZNQCLSA-N 308.385 2.872 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Cl)nc1 3470725 BSBWLQCGKLPQEC-JQWIXIFHSA-N 310.781 2.587 0 40 DFAB C[C@@H]1CN(c2ccc(NC(=O)NC3CC3)cc2F)C[C@@H](C)O1 48538581 UAHSWNCKSZDVMV-GHMZBOCLSA-N 307.369 2.723 0 40 DFAB Cc1ccc(C2=N/C(=C\c3c(C)nn(C)c3C)C(=O)O2)cc1C 12921268 RUHCDKQOWFMYOH-SXGWCWSVSA-N 309.369 2.998 0 40 DFAB CNC(=O)COc1ccc(CNCc2ccc(C)cc2C)cc1 48781937 XVYAOSGYMHNMPJ-UHFFFAOYSA-N 312.413 2.718 0 40 DFAB CCc1cc(S(=O)(=O)Nc2ncccc2C)ccc1OC 8714960 JWLLKGBQJQRVER-UHFFFAOYSA-N 306.387 2.762 0 40 DFAB Cc1csc(Sc2ccc(NC(=O)NCCO)cc2)n1 49300885 WLFZTMYMELXRMC-UHFFFAOYSA-N 309.416 2.717 0 40 DFAB O=C(O)c1c[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc12 65578972 RFLUJESYMIGMCV-UHFFFAOYSA-N 316.338 2.667 0 40 DFAB O=C(Nc1nonc1-c1ccccc1)[C@H]1COc2ccccc2O1 5389287 RGRAJGCIOVEFEW-CQSZACIVSA-N 323.308 2.515 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2)c(OC)c1 6552385 WBDPBWOPTOOSFT-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB Cc1ccc(Cn2nccc2NC(=O)CN(C)c2ccccc2)o1 66043783 GKQAWEZREYKOCI-UHFFFAOYSA-N 324.384 2.908 0 40 DFAB CCN(CC)C[C@@H](O)COC(=O)CC12CC3CC(CC(C3)C1)C2 4785877 CUUAMWMUNOQDGQ-YMVOSSCXSA-N 323.477 2.839 0 40 DFAB CC(=O)c1csc(NC(=O)[C@H]2COc3ccccc3C2)n1 15201275 HLVCMPWCOSMBHM-LLVKDONJSA-N 302.355 2.536 0 40 DFAB CCCn1c(SCC(=O)c2ccc(CC)cc2)n[nH]c1=O 5966154 XBQBYYGWGVDZON-UHFFFAOYSA-N 305.403 2.519 0 40 DFAB Brc1cnc(N2CCC[C@H]2c2ccccn2)nc1 67369356 ZXZWIZHOKYFWRE-LBPRGKRZSA-N 305.179 2.976 0 40 DFAB c1cncc(OCCCNC2CCC3(CCNCC3)CC2)c1 67473370 UOWCJLBYEWQUEG-UHFFFAOYSA-N 303.450 2.753 0 40 DFAB CCn1cc(Br)c(C(=O)NCc2ccccc2)n1 28238703 VWKBCBGFWSJQRY-UHFFFAOYSA-N 308.179 2.596 0 40 DFAB CC(C)c1noc([C@H](C)N[C@@H](C)c2nnc3ccccn23)n1 96013963 LROCDQKCJHVKPA-QWRGUYRKSA-N 300.366 2.648 0 40 DFAB C[C@@H](NC(=O)CNc1cc(CO)ccc1Cl)c1ccco1 68923534 PKLHGOIHPXHZCE-SNVBAGLBSA-N 308.765 2.715 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1F 8259524 JWTSTLVNWMUDOV-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CC(C)Cc1ncc(CN2CCN(Cc3ccon3)CC2)s1 93561222 AUZBCTYAUPKUEA-UHFFFAOYSA-N 320.462 2.647 0 40 DFAB C[C@@H](Cn1cccn1)N[C@H](C)c1nc(-c2cccs2)no1 69415984 MOOFGKOKZFVHBI-WDEREUQCSA-N 303.391 2.734 0 40 DFAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCCC2)o1 8404653 WALUALADGSJPHB-JTQLQIEISA-N 307.375 2.741 0 40 DFAB C[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)n1cnc2ccccc21 69657198 YONIOEIPGDLAJH-CABCVRRESA-N 323.400 2.658 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)CC(C)(C)C)CC2)nc(C)n1 69700517 RDCJBBWVHFFBNC-UHFFFAOYSA-N 318.465 2.957 0 40 DFAB CSc1c(F)cc(NC(=O)NC[C@H]2CCCO2)cc1F 97107720 SRXIDHJOCNBXSW-SECBINFHSA-N 302.346 2.987 0 40 DFAB Cc1cc(C(=O)O[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)on1 71796007 GVTGCVVVZSNXAE-OCCSQVGLSA-N 308.378 2.565 0 40 DFAB Cc1cc(O)ccc1NC(=O)Nc1ccc(-n2cccn2)nc1 97104720 DAQLYUSIVYZPII-UHFFFAOYSA-N 309.329 2.925 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1(C)C 72319291 AVCDXVMPHAFRCA-LSDHHAIUSA-N 311.389 2.839 0 40 DFAB O=C(/C=C/c1ccco1)Nc1ccc(CN2CCOCC2)cc1 19938175 HOYXHJRCHSHBBP-BQYQJAHWSA-N 312.369 2.764 0 40 DFAB Cc1ccc2cccc(NS(=O)(=O)C[C@H]3CCCCO3)c2n1 71920796 XOMBKUGEIDEAHZ-CQSZACIVSA-N 320.414 2.854 0 40 DFAB Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1C1OCCO1 72600418 BKTJNKWZUGIUHX-MRXNPFEDSA-N 318.417 2.551 0 40 DFAB COC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O 95215910 OVPLRPOFSOZXEJ-UHFFFAOYSA-N 317.522 2.996 0 40 DFAB C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1cccs1 95414564 YQOJLNMRUDKEMV-JTQLQIEISA-N 310.419 2.983 0 40 DFAB COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)SC)cc1 95456463 VOYFIUSETZWEKJ-CZUORRHYSA-N 322.474 2.700 0 40 DFAB COc1ccc(OCc2nc3ccc(F)cc3o2)c(C(N)=O)c1 95411458 ZVDSUDRBWKVTSK-UHFFFAOYSA-N 316.288 2.653 0 40 DFAB CCCC[C@H](NCc1cccc(C(N)=O)c1)C(=O)OC(C)(C)C 95943138 TXDGJFMTHBUKBK-HNNXBMFYSA-N 320.433 2.776 0 40 DFAB O=S(=O)(Nc1ccnc2ccncc12)c1ccc(F)c(F)c1 75109686 JSKOYQCRRCUFHO-UHFFFAOYSA-N 321.308 2.709 0 40 DFAB O=C(NCCCOC[C@@H]1CCOC1)N[C@@H]1C[C@H]1C1CCCCC1 89818283 VSELFXUSIJNXFR-BHYGNILZSA-N 324.465 2.698 0 40 DFAB CC(C)c1nc(CNC[C@H]2CCO[C@H]2c2cnn(C)c2)cs1 89893561 ADDHRXIGKLMTAH-IUODEOHRSA-N 320.462 2.867 0 40 DFAB CCC(CC)c1cc(CNC(=O)[C@@H]2CCn3cncc3C2)on1 89943191 VSPKWXYQBGZXGY-CYBMUJFWSA-N 316.405 2.654 0 40 DFAB CN(C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28236657 KIIIRIAJUAIYBY-UHFFFAOYSA-N 313.279 2.640 0 40 DFAB Cn1ccnc1[C@H](NC[C@H]1COC2(CCCCCC2)O1)C1CC1 128817774 ZLZNOMCUKUZXCM-JKSUJKDBSA-N 319.449 2.927 0 40 DFAB O=C(c1ccccc1)c1cc(Cl)ccc1-n1cnnc1CO 39190057 USIICBYEJKAHSY-UHFFFAOYSA-N 313.744 2.644 0 40 DFAB O=C(Nc1cnc2ccc(Cl)cn2c1=O)c1ccc(F)cc1 408606044 LCYQWSFJECYXBU-UHFFFAOYSA-N 317.707 2.739 0 40 DFAB CC(C)CC[C@]1(C2CC2)NC(=O)N(Cc2cccc(F)n2)C1=O 521395032 STUKGJUHQARQRI-QGZVFWFLSA-N 319.380 2.858 0 40 DFAB CN(Cc1ncccc1Cl)[C@H](CC(N)=O)c1ccccc1 528484066 HYCUBYDYLLCSHL-OAHLLOKOSA-N 303.793 2.784 0 40 DFAB Cn1nccc1[C@@H]1CCC[C@H](N[C@H]2c3ccccc3C[C@H]2O)C1 530518744 VGSWDIZGQAUJPP-OHQAAIJDSA-N 311.429 2.694 0 40 DFAB O=C(N[C@@H]1c2ccccc2CC[C@H]1N1CCCC1)c1ccon1 521396299 KGUHBVAHWJYCGE-IAGOWNOFSA-N 311.385 2.556 0 40 DFAB CCC(CC)c1cc(CNc2ccc3nnc(C)n3n2)on1 78400354 OCNYBDHYHPSRIK-UHFFFAOYSA-N 300.366 2.936 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C2=O 71250889 IMSMESRIRXXPPH-SFHVURJKSA-N 316.401 2.656 0 40 DFAB CC(=O)N1CCCC[C@H]1c1ccc2c(NC(C)C)n[nH]c2n1 72374573 IAHJJLRUQDIFHG-AWEZNQCLSA-N 301.394 2.852 0 40 DFAB Cc1cccc(-n2nnc(C(=O)N3CCC=C(F)C3)c2C)c1 329339580 RCPOWZNSAFZUQY-UHFFFAOYSA-N 300.337 2.583 0 40 DFAB O=C(NCc1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 48489167 IYEMMWXRTWIZPS-UHFFFAOYSA-N 313.140 2.841 0 40 DFAB Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N(C)C)c1F 195539657 DBTNIVPISDMXFZ-UHFFFAOYSA-N 315.348 2.551 0 40 DFAB C[C@H]1COCC[C@@H]1c1noc(-c2ncc3c(F)cccn23)n1 528189463 GXQLMPWWHOQZNW-UWVGGRQHSA-N 302.309 2.663 0 40 DFAB Cc1nsc(NCCCC(=O)N2CCc3ccccc32)n1 195544277 MZDFHDJSGOIRHX-UHFFFAOYSA-N 302.403 2.628 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 192415378 FWBTUJOBHKEGNU-LBPRGKRZSA-N 307.394 2.585 0 40 DFAB COC(=O)C1=C(C)O[C@@H](CSCC(=O)Nc2ccccc2)C1 225692235 MVEXNKQYTTTYCU-CYBMUJFWSA-N 321.398 2.594 0 40 DFAB C[C@H](c1ccsc1)N1CCN(Cc2noc(C3CC3)n2)CC1 97378912 YYONNMCBIOBVME-GFCCVEGCSA-N 318.446 2.887 0 40 DFAB CC(C)OCc1ncn2c1CN(C(=O)c1ccccc1)CCC2 96259923 GDVIYADGXMBNBO-UHFFFAOYSA-N 313.401 2.854 0 40 DFAB O=C(CCc1ccccc1)NCc1nccc(N2CCCCC2)n1 96120842 IKRXOPUNFALWPA-UHFFFAOYSA-N 324.428 2.716 0 40 DFAB CN(C)CCN1CCN(Cc2cccs2)Cc2cccnc21 96198828 SMEPRUOFHVOODX-UHFFFAOYSA-N 316.474 2.527 0 40 DFAB O=C(c1cnccn1)N1CCC2(CCCc3ccccc32)CC1 96161259 TXOWNVBKIVKWBL-UHFFFAOYSA-N 307.397 2.987 0 40 DFAB O=C(C1CC=CC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039927 MRILIUKONVMYQA-HKUYNNGSSA-N 319.445 2.777 0 40 DFAB COc1ccccc1[C@H](NCc1ncnn1C)C1CCCC1 91349788 RNDKHDWCKHOSHN-QGZVFWFLSA-N 300.406 2.845 0 40 DFAB COCCOCC(=O)Nc1cccc(N2CCCCCC2)c1 96419131 ZKSIDEARRXAFQS-UHFFFAOYSA-N 306.406 2.669 0 40 DFAB COC(=O)NCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 96414199 NIGDAFJZPAFQQW-ZDUSSCGKSA-N 308.378 2.778 0 40 DFAB CS[C@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)cc1 96416536 TUVOWXLGWHMTOU-CVEARBPZSA-N 320.458 2.727 0 40 DFAB Cc1cc(N)cc([C@H]2CN(Cc3ccc(C)s3)CCO2)n1 257294043 QSEPZJYBROUEHG-MRXNPFEDSA-N 303.431 2.916 0 40 DFAB O=C(Cc1ccccc1F)Nc1ccccc1-c1ccc(=O)[nH]n1 90613961 LNUKZZKENVIHQM-UHFFFAOYSA-N 323.327 2.757 0 40 DFAB CCOc1ccc(F)c(NC(=O)N2CCCN(C)CC2)c1F 390833855 OAPVRTSOWBDMLC-UHFFFAOYSA-N 313.348 2.533 0 40 DFAB O=C(c1cccs1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575605573 RBTPIOOJEBDFLU-LLVKDONJSA-N 323.805 2.875 0 40 DFAB COc1nc(C(=O)Nc2nnc(C3CC3)n2C)cc2ccccc12 585113375 VXPPLIVRCOJVMY-UHFFFAOYSA-N 323.356 2.502 0 40 DFAB CC(C)N1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 585112041 KKBWJCQGCLMYFD-CHWSQXEVSA-N 305.422 2.559 0 40 DFAB Cc1nc2ccc(C(=O)NC[C@H](O)c3ccccc3)cc2nc1C 53600599 HGVWBCJXYFSJQY-SFHVURJKSA-N 321.380 2.710 0 40 DFAB CO[C@@H]1CCN(C2CCOCC2)C[C@H]1Cc1ccc(F)cc1 1615191343 KCEFUCWLVLZTFY-CRAIPNDOSA-N 307.409 2.884 0 40 DFAB COc1cccc(NC(=O)NCCCN2CCC(C)CC2)c1 11554136 WBYKPQBBYOEBDA-UHFFFAOYSA-N 305.422 2.939 0 40 DFAB COc1ccccc1C(=O)NC[C@H]1CCCN2CCCC[C@@H]12 14983168 AMOKRMWLMZIUII-ZBFHGGJFSA-N 302.418 2.690 0 40 DFAB FC(F)(F)c1nc(=S)[nH]cc1-c1nnnn1-c1ccccc1 16523881 VFPZVZUSBTYGDS-UHFFFAOYSA-N 324.291 2.801 0 40 DFAB C[C@H]1CN2CCC[C@H]2CN1C[C@H](C)Cc1ccc2c(c1)OCO2 19575688 LDARSZITWJJGDR-VYDXJSESSA-N 316.445 2.762 0 40 DFAB CN1CCCC[C@@H]2[C@H]1CCN2C(=O)c1nccc2ccccc12 19712465 IGJJRLAWWVDMNN-IAGOWNOFSA-N 309.413 2.934 0 40 DFAB COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)oc(=O)c1 5395450 HWIYTKPJFKWVRE-WAYWQWQTSA-N 318.325 2.845 0 40 DFAB CN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 23013565 HOEMSVSHWOYVEJ-UHFFFAOYSA-N 300.324 2.777 0 40 DFAB O=C(c1cc[nH]c1)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 1565552637 QVTYWMJCDILCAB-LJQANCHMSA-N 323.396 2.674 0 40 DFAB COc1ccc(C2=NO[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 5029092 LZFBWKVPXLHZPZ-GOSISDBHSA-N 324.380 2.847 0 40 DFAB O[C@H](CCNc1ncc(Br)cn1)c1ccsc1 1775970012 XDFQQWXWGNBBHY-SNVBAGLBSA-N 314.208 2.836 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1ccc2nsnc2c1 36709422 OFFOLPDFIDRGOB-UHFFFAOYSA-N 302.384 2.889 0 40 DFAB CC[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)c1ccccc1 40071735 ZLMGBKAIJMWLLP-LSDHHAIUSA-N 310.463 2.747 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C)cc2)C1 40160946 GAFJTYSFLAYLOC-SIFUEBAJSA-N 301.386 2.810 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c(O)c2ccccc21 100498505 BLJCRMNEHMJZEA-UHFFFAOYSA-N 324.336 2.685 0 40 DFAB O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(F)cc1F 40553292 MYHHMDRAZQWBOB-UHFFFAOYSA-N 314.291 2.988 0 40 DFAB O=C(CSc1nc2ccccc2o1)Nc1nnc(C2CC2)o1 31840441 ZAOCCBGCEQXSMQ-UHFFFAOYSA-N 316.342 2.819 0 40 DFAB Cc1ccc(-c2nc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)cs2)cc1 32741876 GUEKFVJEPIKXHS-ZWNOBZJWSA-N 317.366 2.979 0 40 DFAB CC[C@H](C)Nc1nnc(S[C@H]2CCCCNC2=O)s1 32874015 ZBWFFIVAHVDZPI-IUCAKERBSA-N 300.453 2.509 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccncc1)c1cccs1 32879716 NZDBPNCGRGPGNT-FZMZJTMJSA-N 317.414 2.588 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCCC[C@@H]1Cn1cccn1 70040999 BNNDOJMTMMYPFA-IUODEOHRSA-N 316.405 2.673 0 40 DFAB Cc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)o1 79018366 YGPFLADOTFGXLK-STQMWFEESA-N 324.446 2.572 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(F)c2)c1O 3457649 NZWLZEAKDBGTGZ-UHFFFAOYSA-N 303.289 2.635 0 40 DFAB O=C(CSc1nnc(-c2ccco2)o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4195587 KWADHRWQUMUBSH-HBNTYKKESA-N 319.386 2.727 0 40 DFAB Cc1nc2ccc(C(=O)NCCc3nccs3)cc2nc1C 41529860 SMAMEBSGEYPHOX-UHFFFAOYSA-N 312.398 2.676 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)NCCCN1CCCC1 61547404 YQVVBZISYPSGAK-UHFFFAOYSA-N 314.351 2.850 0 40 DFAB Cc1cc(-c2nnc(SCC(=O)NC3CCCCC3)o2)no1 812154 VDDLJRMPNWGMBF-UHFFFAOYSA-N 322.390 2.574 0 40 DFAB O=C(COC(=O)c1cccc(OC(F)F)c1)NC1CCCC1 3233138 ADYYANPQFAFAAN-UHFFFAOYSA-N 313.300 2.504 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1C 3247251 GJPGMONWZSJABK-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB COc1ccc(NC(C)=O)c(NC(=O)CCOCC(C)C)c1 56180193 PDQWBEBGYOTLBN-UHFFFAOYSA-N 308.378 2.655 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@H](c2cccs2)N(C)C)c1 25638731 SOLDSOVHTSCSBC-OAHLLOKOSA-N 317.458 2.847 0 40 DFAB CC(C)NC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 48104401 OEAMABCZHMDXNW-UHFFFAOYSA-N 312.373 2.542 0 40 DFAB CC(C)c1nnc(NC(=O)c2cccc(C[S@](C)=O)c2)s1 26601119 OHAAMBNWJXLXDO-OAQYLSRUSA-N 323.443 2.792 0 40 DFAB Cc1ccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)cc1 3325258 VSSLKLKJLHTREU-UHFFFAOYSA-N 323.348 2.797 0 40 DFAB Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCOCC2)cc1 27580296 DWGJSNMGKLXHLN-QGZVFWFLSA-N 304.434 2.531 0 40 DFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1ccccc1 3351227 OLGDBEUOZOLWNE-UHFFFAOYSA-N 314.360 2.855 0 40 DFAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999292 NLVUYHIOWJDERC-IRCOFANPSA-N 315.339 2.843 0 40 DFAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)s1 44977319 GARQKQZBRLJONJ-QWRGUYRKSA-N 320.414 2.954 0 40 DFAB C[C@@H](OC[C@@H](O)CNC(=O)c1ccc(F)cc1)c1ccccc1 58306317 HZOYQYUMJLVSEG-DYVFJYSZSA-N 317.360 2.694 0 40 DFAB COc1ccc(F)cc1C(=O)CSc1nncn1C1CC1 10886065 WAFROIQWYPWSSS-UHFFFAOYSA-N 307.350 2.736 0 40 DFAB COc1ccc(-c2nc(C(=O)N3CCO[C@H](C)C3)cs2)cc1 11499503 XAGGPBFNLIAHSS-LLVKDONJSA-N 318.398 2.680 0 40 DFAB C[C@H](NC(=O)CSc1ccccc1C(=O)O)c1ccco1 12930976 PLEOSIXFKKMPIE-JTQLQIEISA-N 305.355 2.947 0 40 DFAB O=C(OCC(=O)c1ccco1)c1cnn(Cc2ccccc2)c1 12994076 NIXZITLNZFSMJD-UHFFFAOYSA-N 310.309 2.564 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)NCCC(C)C)c(C)n2n1 13004621 XKOUHKNFCFVUAI-UHFFFAOYSA-N 302.422 2.749 0 40 DFAB COc1ccccc1CC(=O)N[C@H](CC(=O)O)c1cccs1 13388156 HCLBAQVUEVYUOJ-GFCCVEGCSA-N 319.382 2.631 0 40 DFAB Cc1[nH]ncc1C(=O)N(C)Cc1ccccc1OC(F)(F)F 63722469 AJLRBFHUQMFREB-UHFFFAOYSA-N 313.279 2.889 0 40 DFAB COCCNC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 17321225 OHYRSFDKBXXRTJ-UHFFFAOYSA-N 303.358 2.639 0 40 DFAB O=C(CC1CCCC1)N1CCCN(c2cncc(Cl)n2)CC1 69744580 IUYGZVRADHZAIM-UHFFFAOYSA-N 322.840 2.749 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCc2sccc2C1 65435073 BRKRFUHVTHJFEA-ZBEGNZNMSA-N 315.394 2.861 0 40 DFAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 65474630 VKSZHNVGFARJMR-CYBMUJFWSA-N 320.458 2.615 0 40 DFAB CCOC(=O)[C@@H](Cc1cccc(C)c1)Sc1nnc(N)s1 4483141 FVFBLAWDBZCUCB-LLVKDONJSA-N 323.443 2.695 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1 4498279 YGXWXNIXGWPINU-CQSZACIVSA-N 312.369 2.511 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCC1(N(C)C)CCCCC1 8673930 MLPMHUOIUSNOAL-AWEZNQCLSA-N 322.424 2.974 0 40 DFAB C[C@H](NCc1cn2cc(Cl)ccc2n1)[C@H](C)n1cccn1 69810546 AVROSIGQMZIIIQ-RYUDHWBXSA-N 303.797 2.924 0 40 DFAB COc1ccc([C@H](CNC(=O)Cc2cccs2)N(C)C)cc1 6947510 MDOIHAUZDJOBBD-INIZCTEOSA-N 318.442 2.718 0 40 DFAB COc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 67801151 LPVBYHCXGAADHA-AWEZNQCLSA-N 306.406 2.794 0 40 DFAB CC(C)CO[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O 42472670 OIRNHOUUFYALMM-ZDUSSCGKSA-N 304.390 2.813 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1sccc1C 7886144 HHJGCXGPGXEGDA-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB C[C@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccccc1 96009888 PWXZEPHXSBSMDG-GOEBONIOSA-N 318.417 2.932 0 40 DFAB COC[C@H]1CN(C(=O)N[C@H](c2ccccc2C)C(C)C)CCO1 96440162 XJQCWBVFORZQQV-WBVHZDCISA-N 320.433 2.749 0 40 DFAB Cc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c(=O)[nH]1 96433000 UGPXLCHESUBJCE-MRXNPFEDSA-N 316.376 2.820 0 40 DFAB CC(C)=CCN1CCC(NC(=O)N[C@H](C)C2CCOCC2)CC1 96474841 LVJXRWSGCVIDDS-OAHLLOKOSA-N 323.481 2.531 0 40 DFAB Cc1noc(C)c1CC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 71827255 FBKGSGGUOQIUCG-SJKOYZFVSA-N 314.385 2.823 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)CO[C@H]2CCCC[C@H]2C)c1 71903432 MTRHEMGIAYHJAS-DYVFJYSZSA-N 318.417 2.857 0 40 DFAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cn1 9690025 YTJUJXKMQUFGBN-UHFFFAOYSA-N 300.314 2.504 0 40 DFAB COc1cc([C@@H](C)NCc2nnc(C3CC3)n2C)ccc1F 97033500 YZAYTNCRPXZXCD-SNVBAGLBSA-N 304.369 2.691 0 40 DFAB C[C@@H]1OCCN(C(=O)Nc2ccc(-n3cccn3)cc2)[C@H]1C 97048654 NCBBETZHQVNMJC-STQMWFEESA-N 300.362 2.513 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)on1 97046809 LKUBZDKGWSXMIY-SNVBAGLBSA-N 323.755 2.784 0 40 DFAB Cc1nn(C)c2nc(C(=O)OCCSC(C)(C)C)ccc12 95461520 MJLHNYFGXLIZMR-UHFFFAOYSA-N 307.419 2.965 0 40 DFAB Cc1nonc1COC(=O)c1sccc1Br 95401130 FCFKGNAZKRXHDV-UHFFFAOYSA-N 303.137 2.559 0 40 DFAB O=C(Nc1ccncc1)N(CCCO)[C@H]1CCc2ccccc21 72285554 RIZKLFPVSRZZII-KRWDZBQOSA-N 311.385 2.985 0 40 DFAB O=C(Cc1ccccc1O)NCCSc1ccccc1F 72282472 PKSOZJCUCXSRRQ-UHFFFAOYSA-N 305.374 2.982 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)NCc3ccccc3C)C2)no1 72235849 JWILJMKGDXSRAD-HNNXBMFYSA-N 314.389 2.776 0 40 DFAB Cc1cccc(O)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 95458463 JOZCOMUBEVNEQS-OAHLLOKOSA-N 324.380 2.688 0 40 DFAB CCCOc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1OC 95940828 RDVHEWHDTIGXCQ-LRTDBIEQSA-N 313.463 2.683 0 40 DFAB COc1ccc(CNCC2([C@@H](C)CCO)CCC2)cc1OC 95988546 SIOCCDVVBPLYSI-AWEZNQCLSA-N 307.434 2.982 0 40 DFAB CNC(=O)c1c(C)cccc1NC(=O)c1ccc(F)c(OC)c1 95966888 GRJHMXYRYRGUTP-UHFFFAOYSA-N 316.332 2.755 0 40 DFAB O=c1cc(CNc2ccc(C(F)(F)F)nn2)c2ccccc2[nH]1 95981593 KFXASMFYZNMEDB-UHFFFAOYSA-N 320.274 2.949 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 95955550 KTSXYEQOOIDHKA-NOZJJQNGSA-N 316.382 2.608 0 40 DFAB COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 408628594 ZDRDYNGCLVBBQV-UHFFFAOYSA-N 309.362 2.801 0 40 DFAB O=C1C/C(=C\c2cccc(O)c2)C(=O)N1CCc1ccccc1 70666307 PJKCFCOXVBNNPA-LFIBNONCSA-N 307.349 2.777 0 40 DFAB biogenic O=C(N[C@@H]1CCC[C@H]1O)C1(c2cc(F)cc(F)c2)CCCC1 529475973 AYZRMUXFNAHKFY-HUUCEWRRSA-N 309.356 2.806 0 40 DFAB COc1ccc(-c2cc(CNC(=O)c3cc(C)on3)no2)cc1 38753673 HXPBNJDBYFBRQG-UHFFFAOYSA-N 313.313 2.577 0 40 DFAB Cc1ccc(-c2nc(CNC(=O)C3CCOCC3)co2)cc1 73302281 AFLYIRUDOOAKHE-UHFFFAOYSA-N 300.358 2.693 0 40 DFAB CC[C@H](OC[C@H](O)CN(C)C)c1ccc(Br)cc1 72210033 LNXNUAULYINQFB-KGLIPLIRSA-N 316.239 2.839 0 40 DFAB CC(C)CN1CCNC(=O)[C@H]1Cc1cccc(-c2ccncc2)c1 72351648 GDOQCWMMWVGUQO-LJQANCHMSA-N 323.440 2.748 0 40 DFAB O=C(Nc1cccc(COCC2CC2)c1)N1CCCC[C@@H]1CO 89865938 YLRIANSHJRYJJU-QGZVFWFLSA-N 318.417 2.992 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C[C@@H]2CC[C@H](C)O2)cc1 225597278 LLMLSHYMLNQKDC-JQFCIGGWSA-N 318.417 2.666 0 40 DFAB O=C(Cc1cccs1)NCC1CCN(c2ccccn2)CC1 43975435 BOZIWFMKPOCDBJ-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225884488 FQZYWRLDSCTJRO-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB C[C@H](CCCCNC(=O)[C@H](C)C1CC1)NC(=O)[C@H](C)C1CC1 573711789 JKYLKEMLDIIKQR-MGPQQGTHSA-N 308.466 2.870 0 40 DFAB CCn1cccc1-c1noc(CNC(=O)c2sccc2C)n1 225769776 NYNBXAASKFBLRP-UHFFFAOYSA-N 316.386 2.858 0 40 DFAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc2c(c1)OCO2 227147392 VWYMNBOPGRLHQK-UHFFFAOYSA-N 320.732 2.912 0 40 DFAB O=C(COc1ccc(Cl)cc1)NC[C@@H](O)c1cccs1 49924831 XSNZLWNGLZZQPU-GFCCVEGCSA-N 311.790 2.630 0 40 DFAB O=C([C@H]1CCc2[nH]cnc2C1)N1CC[C@@H](Cc2ccccc2)C1 225514427 OLUVIYGPCKCLHK-HOTGVXAUSA-N 309.413 2.606 0 40 DFAB COc1cc(CCC(=O)N2CCCC[C@@H]2c2cccnc2)on1 225412643 RPIZAKLTAOFHMG-OAHLLOKOSA-N 315.373 2.765 0 40 DFAB biogenic O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1cccnc1 96485883 RSGZLDVRKUISCI-CYBMUJFWSA-N 309.728 2.729 0 40 DFAB CCc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1 96900398 ILQINVSOJSPTPD-OAHLLOKOSA-N 311.385 2.642 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)Nc1n[nH]c(C(C)C)n1 95479718 LHISDZZZMBVUHC-UHFFFAOYSA-N 316.390 2.736 0 40 DFAB Cc1cc(C)c2cc(C(=O)N3CC[C@H]4CCN(C)C[C@H]43)[nH]c2c1 95995452 SDNDDLHSOPLSIE-RDTXWAMCSA-N 311.429 2.951 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccco1)[C@@H]2C 96061986 JOTYDBNTNZCQSY-CYBMUJFWSA-N 316.405 2.533 0 40 DFAB Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 96055129 PZTLUQLXWROFCY-QAPCUYQASA-N 316.376 2.756 0 40 DFAB CC(C)CO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccccc1)C2 248165212 NVWDHXTYRGPBJT-NUEKZKHPSA-N 309.431 2.511 0 40 DFAB c1cnc(Nc2cncc(C3CCN(CC4CC4)CC3)n2)cn1 257337796 YULAGMAIUWUHIJ-UHFFFAOYSA-N 310.405 2.600 0 40 DFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC=CCC2)n1 75170704 PHSSPZPTOYQLJN-LLVKDONJSA-N 313.323 2.819 0 40 DFAB CO[C@]1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCSC1 96097589 GTTCLDQCMQDAMF-CMOKZPMJSA-N 309.475 2.841 0 40 DFAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccsc1 189283790 YWFSXNOCGCLRQI-UHFFFAOYSA-N 306.353 2.752 0 40 DFAB COc1cc(OC)cc(OCC(=O)N2CCc3ccccc32)c1 5497066 BIOBSUAMRVXVQI-UHFFFAOYSA-N 313.353 2.672 0 40 DFAB CC(C)(C)NC(=O)NCCCCCCNC(=O)NC(C)(C)C 5713864 UXQBMYBMUHFZTJ-UHFFFAOYSA-N 314.474 2.742 0 40 DFAB C[C@H]1CN2CCC[C@@H]2CN1Cc1cn(C)c2ccc(F)cc12 19575804 ATKKSDBOLOEDBA-XJKSGUPXSA-N 301.409 2.986 0 40 DFAB COc1cc(F)cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 162838352 LBXAFSUFFSRWRD-SECBINFHSA-N 306.341 2.619 0 40 DFAB COC(=O)[C@H](c1ccccc1C)N1CC[C@H]2OCCC[C@@H]2C1 163091954 UZCDJECSIJDSTP-OIISXLGYSA-N 303.402 2.710 0 40 DFAB CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C 387972 HTUUNQLFTCKBJK-UHFFFAOYSA-N 315.354 2.532 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)no1 4504996 WZVIUAANNJFKEC-LBPRGKRZSA-N 305.721 2.768 0 40 DFAB Cn1cccc1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575616518 LTGABPGVFCJTPN-UHFFFAOYSA-N 324.331 2.631 0 40 DFAB C[C@@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc(Cl)cn1 5786656 KVAQCOKJLPTBJN-SECBINFHSA-N 324.789 2.909 0 40 DFAB COCCn1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)ccc1=O 31564070 KCLVQHPBFBFBPI-ZBFHGGJFSA-N 318.417 2.672 0 40 DFAB Cc1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1 4484134 YTADRHYOUNHSDI-UHFFFAOYSA-N 300.335 2.934 0 40 DFAB O=S(=O)(NCCOc1ccccc1)c1ccccc1Cl 7304390 CDJCROARWZKJBR-UHFFFAOYSA-N 311.790 2.697 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 10327056 PSTRNHWBSPEOJJ-UHFFFAOYSA-N 322.836 2.838 0 40 DFAB C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)[C@H](C)CO1 40501473 QHXIYKHTJRFLAB-MGPQQGTHSA-N 308.447 2.521 0 40 DFAB Nc1nnc(SCCC(=O)Nc2ccc(F)c(F)c2)s1 32870994 NKKUDANLWZTBSW-UHFFFAOYSA-N 316.358 2.519 0 40 DFAB CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 339887 JZDJBRGCSCRDAR-DJJJIMSYSA-N 309.365 2.760 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(OC)c2)c1 341707 XOENYAOYWCPJJL-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB COCC(=O)Nc1ccc(Nc2ncnc3ccccc23)cc1 32770048 BNGSZWFTBADMBP-UHFFFAOYSA-N 308.341 2.958 0 40 DFAB Cc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1 41191428 YLOGPXUIMDGGDX-UHFFFAOYSA-N 315.442 2.733 0 40 DFAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1cc(C)on1 60358422 WPFYSHUTFVFLQD-LBPRGKRZSA-N 317.345 2.945 0 40 DFAB COc1ccc(CN2CC[C@]3(CCOC3)C2)c(OC(F)F)c1 93820091 ORFHYADOEXXACZ-INIZCTEOSA-N 313.344 2.909 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(C)o2)cc1OC 2643168 HADGOQYPZOLRDI-UHFFFAOYSA-N 304.298 2.645 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)COc1ccccc1F 69744417 BXGMBAAFKFNUFS-ZFWWWQNUSA-N 315.344 2.885 0 40 DFAB CCCC1=NN(C(=O)c2ccccc2N)[C@@](O)(C(F)(F)F)C1 871843 ROQRNSBNVCCPKG-ZDUSSCGKSA-N 315.295 2.522 0 40 DFAB Cc1ccnn1CCc1nc2c3c4c(sc3ncn2n1)CCC4 2786553 PBKPBCGYYWYLOM-UHFFFAOYSA-N 324.413 2.575 0 40 DFAB C[C@@H]1Oc2ccc(Nc3nccc(C(F)(F)F)n3)cc2NC1=O 32908945 VXGRZSFAXFBLQJ-ZETCQYMHSA-N 324.262 2.958 0 40 DFAB COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 32931016 WBZXDCMWIZXVDS-AWEZNQCLSA-N 307.390 2.525 0 40 DFAB CCN(C1CCN([C@H](C)c2cccc(C)c2)CC1)S(C)(=O)=O 78949998 ZUTFNIVTANOOES-OAHLLOKOSA-N 324.490 2.802 0 40 DFAB Cc1ccc(NC(=O)c2c(F)cccc2F)cc1-n1cnnn1 33083459 GLZLKNOHKATGQW-UHFFFAOYSA-N 315.283 2.501 0 40 DFAB COc1ccccc1C(=O)NCCCN(C)Cc1ccccc1 21938980 FSSBXOLAEWOHEF-UHFFFAOYSA-N 312.413 2.947 0 40 DFAB COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2OC)c1O 525825 DUCJLJAOODGAPE-UHFFFAOYSA-N 316.309 2.710 0 40 DFAB biogenic COC(=O)[C@@H](NC(=O)Nc1ccc(OC)c(Cl)c1)C(C)C 536665 UZNKGDGQOBZIEU-LBPRGKRZSA-N 314.769 2.668 0 40 DFAB COCCN(CCOC)C(=S)Nc1ccc(Cl)cc1 7570424 IQKLUPGIHHQHCG-UHFFFAOYSA-N 302.827 2.632 0 40 DFAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCOC(C)C 8040926 XOJVCLVRXGROMC-CQSZACIVSA-N 309.406 2.784 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1 8166859 QLBMPHQNCONRKF-UHFFFAOYSA-N 321.373 2.549 0 40 DFAB O=C(O)c1ccc2c(=O)n(C3CCCCC3)c(S)nc2c1 8659898 BUPBPZVMZMNSRZ-UHFFFAOYSA-N 304.371 2.889 0 40 DFAB Cc1cc(C)n(CC2CCN(C(=O)Nc3ccccn3)CC2)n1 96496889 ZYGKGTXGKDYIID-UHFFFAOYSA-N 313.405 2.839 0 40 DFAB CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 100750316 ATWYMNNIKLLJGQ-DAYGRLMNSA-N 317.433 2.591 0 40 DFAB CC[C@@H](OC(=O)c1ccccc1O)C(=O)NCc1ccccc1 12487050 KROAYKGESGIHCU-MRXNPFEDSA-N 313.353 2.644 0 40 DFAB O=C(NCc1ccccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 106142769 ZPHIEVTXTYPSBP-YQQAZPJKSA-N 314.429 2.576 0 40 DFAB COc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C)cn1 106523702 KSPPQUJLYSBCPM-ZDUSSCGKSA-N 311.385 2.919 0 40 DFAB Cc1cc(CN(C)C(=O)Cc2coc(-c3ccccc3)n2)no1 25137686 LLDXFVJIPBEFHH-UHFFFAOYSA-N 311.341 2.839 0 40 DFAB Cc1cc(C)cc([C@@H](O)CN2CCC[C@H]2c2noc(C)n2)c1 107054969 GBTHUYUZTUPXKO-HOTGVXAUSA-N 301.390 2.865 0 40 DFAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cnn(C)c1 56030862 PVHRUMMUSFLBKP-LLVKDONJSA-N 319.386 2.548 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 97198134 UREVGIFITDOXCJ-ZIAGYGMSSA-N 301.434 2.968 0 40 DFAB CC1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1 22241153 UCSPDGSSSXDKNK-UHFFFAOYSA-N 316.430 2.969 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2nccc(-c3cccs3)n2)n1 97164931 SFDAMTBFOXTOLV-UHFFFAOYSA-N 313.386 2.657 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2ccnc(N(C)C)c2)C12CCCC2 72303476 AXEDYBJJDHBSKH-GJZGRUSLSA-N 317.433 2.615 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 3361250 MGMNDTRGFGIAGU-CHWSQXEVSA-N 303.402 2.965 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c1 3351345 PIDYCAMGXQBCGY-AWEZNQCLSA-N 304.415 2.870 0 40 DFAB Cc1nc(C(=O)NCCCn2cnc3ccccc32)cs1 66308206 FTHAMJVAEAZNPB-UHFFFAOYSA-N 300.387 2.621 0 40 DFAB COc1ncccc1NC(=O)NCCCCN1CCCC[C@@H]1C 48342099 DOEUCBWOGCEYSN-AWEZNQCLSA-N 320.437 2.866 0 40 DFAB COc1ncccc1NC(=O)NC[C@@H](c1cccs1)N(C)C 48414352 DLRSJFQNLZUZSI-LBPRGKRZSA-N 320.418 2.576 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2cccs2)c(=O)[nH]1 65515395 PQCXBHVQESXLDZ-LBPRGKRZSA-N 319.430 2.956 0 40 DFAB CCc1nc(Cn2c(S(C)(=O)=O)nc3ccccc32)cs1 65551797 ZSCNKAMXHRAKBI-UHFFFAOYSA-N 321.427 2.507 0 40 DFAB Cc1ccc(F)c(NC(=O)COC(=O)c2ccccc2N)c1 4620862 IOTHJVQZJOQGCO-UHFFFAOYSA-N 302.305 2.512 0 40 DFAB Cn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]c1=S 4694533 FBFMLDQVDWKOOI-UHFFFAOYSA-N 316.308 2.678 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cn3cc(C)ccc3n2)c1 20738172 NNEXEQBGQLBZHZ-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)CNc2cccc(F)c2)cc1 15289209 VEWDZGHFWOBNNS-UHFFFAOYSA-N 315.348 2.578 0 40 DFAB COc1ccc2nc(S[C@H](C)C(=O)NC(C)(C)C)[nH]c2c1 7096379 QRNQCEAHPIESCQ-SECBINFHSA-N 307.419 2.967 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 7405099 XFTRHIWQBFLXNZ-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB COc1cc(CNn2cnnc2)ccc1OCc1cccs1 7602618 IMNIADGPDROPJX-UHFFFAOYSA-N 316.386 2.671 0 40 DFAB Fc1cnc(N2CCc3c(ncn3CCc3ccccc3)C2)nc1 96009775 UYXODRIIJDPCLT-UHFFFAOYSA-N 323.375 2.618 0 40 DFAB C[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccco1 7867122 WQRUELULIDCPOT-VIFPVBQESA-N 320.732 2.718 0 40 DFAB COc1cccc(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)c1 8458251 LFUIYEVVKARBTK-UHFFFAOYSA-N 324.336 2.597 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(OC)cc1F 69661363 AIPQPEMEMAHIPB-SJORKVTESA-N 320.408 2.923 0 40 DFAB CC1(C)CN(C(=O)N[C@@H]2CCc3c(O)cccc32)CCS1 83735241 OONIRMLZFBMUDA-CYBMUJFWSA-N 306.431 2.917 0 40 DFAB Cc1cc2c(=O)[nH]c(-c3ccc(OCC(F)F)nc3)nc2s1 96501811 UOXUMMZBKZLEJJ-UHFFFAOYSA-N 323.324 2.999 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 84335328 LLPUQQACYAXYMI-QWRGUYRKSA-N 319.744 2.520 0 40 DFAB CNc1snc(C)c1C(=O)OCc1ccc2c(c1)OCCO2 84026870 GBFCSWUCQJKWRX-UHFFFAOYSA-N 320.370 2.621 0 40 DFAB Cc1ccc(NC(=O)NCCN2C(=O)Cc3ccccc32)s1 97010525 SVKWCOONGXJYCL-UHFFFAOYSA-N 315.398 2.767 0 40 DFAB COC[C@@H](NCCC(=O)Nc1cccc(Cl)c1C)C1CC1 95421512 VNMMNTRATYAPCN-OAHLLOKOSA-N 310.825 2.992 0 40 DFAB O=C(c1ccc2c(c1)COCO2)N(Cc1cccnc1)C1CC1 73414627 WQJQENXHVGDMDA-UHFFFAOYSA-N 310.353 2.753 0 40 DFAB CN(Cc1ccc(N(C)C)nc1)C(=O)NC[C@@H]1Cc2ccccc21 95974439 GGTQHOKLGNBCKR-INIZCTEOSA-N 324.428 2.629 0 40 DFAB CCc1cc(CNC(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)on1 74428840 MSIRALLYGQIAEL-BBRMVZONSA-N 309.410 2.582 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)CCc2ccoc2)C1 177171715 FLLXPCHJKODEMN-CQSZACIVSA-N 322.405 2.728 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)n1cc(Br)cn1 28224592 DKORCKNYQWEECM-JTQLQIEISA-N 308.179 2.523 0 40 DFAB COCc1cccc(NC(=O)C(=O)N2CCc3c(C)cccc32)c1 129860869 VADNCKYKZBXHHY-UHFFFAOYSA-N 324.380 2.669 0 40 DFAB NC(=O)c1cccc([C@H]2CCCN(CCc3ccccc3)C2)n1 72358304 PRVKUTJDMTZSKH-INIZCTEOSA-N 309.413 2.603 0 40 DFAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCc2[nH]ncc2C1 79044519 NTMHQTUVKQSUGE-SECBINFHSA-N 323.755 2.554 0 40 DFAB Cc1cc(S(=O)(=O)N2CCC(=O)c3ccccc32)c(C)o1 186701756 AFFKUSOZHCKYAY-UHFFFAOYSA-N 305.355 2.678 0 40 DFAB CN(C)c1ccc(CCNC(=O)NCc2ccc(F)cc2)cc1 38489627 YUFZATIFKKIFBD-UHFFFAOYSA-N 315.392 2.934 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC[C@@H](O)c2cccs2)o1 195530622 FPBRXGFUSNYMQC-KGYLQXTDSA-N 320.414 2.997 0 40 DFAB C[C@@H](NC(C)(C)C(=O)NCC1CCCC1)c1ccc(F)cn1 195551681 RWYGKQRNCNQBQU-GFCCVEGCSA-N 307.413 2.956 0 40 DFAB COc1ccc(CN[C@H](C(=O)O)C(C)C)cc1Br 42325301 OTRJFKRLQUJJPS-LBPRGKRZSA-N 316.195 2.657 0 40 DFAB CC(=O)NC(=O)c1ccc(-c2ccc(N)cc2Br)o1 85346793 RJTXTZZWBAVWBY-UHFFFAOYSA-N 323.146 2.568 0 40 DFAB Cc1ncsc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 192046707 WFTROYVQWYWIIR-SUMWQHHRSA-N 318.442 2.811 0 40 DFAB COc1ccc(NC(=S)NCc2ccccc2OC)cn1 225313951 WTWYWCGSZHUKTF-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB CC(C)n1nnnc1-c1ccc(NC(=O)c2ccco2)cc1F 96501733 IPQLWDLEVBGPCF-UHFFFAOYSA-N 315.308 2.905 0 40 DFAB COCCN(CCOC)c1ccc(Br)cc1F 95915677 FOCXXFOHZJLOLT-UHFFFAOYSA-N 306.175 2.687 0 40 DFAB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1nccnc1N 96432949 JOCOJYGKCQUXNR-GJZGRUSLSA-N 310.401 2.776 0 40 DFAB CCOC[C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1 96105889 TWGPHAOLVIYZNU-CQSZACIVSA-N 321.392 2.874 0 40 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CCC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2C)cc1 9550269 GNRJQDBYGXSGCJ-GOEBONIOSA-N 305.418 2.893 0 40 DFAB c1ccc(OC[C@@H]2CCN(c3ncnc4ccsc34)C2)nc1 1888932233 DPMSZQYBOQAINM-GFCCVEGCSA-N 312.398 2.992 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)N[C@@H](c1ccccc1)C1CC1 24026611 LHVZDLSFUFZJAC-FQEVSTJZSA-N 322.408 2.613 0 40 DFAB COc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1OC 31674466 WCLQRRKMLMNSDE-QMMMGPOBSA-N 307.268 2.610 0 40 DFAB Cc1ccsc1[C@H](O)CNc1ncc(Br)cn1 1776001340 NUHANHMTZSQBLN-SECBINFHSA-N 314.208 2.755 0 40 DFAB Cc1c(CN2CC[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccccc12 2037824871 MCTGRQNPVZXMDT-ROUUACIJSA-N 300.402 2.592 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2F)[C@@H]2C=C[C@@H]1C21CC1 100061767 AJOZMNVJNWXRBZ-NUZBWSBOSA-N 301.317 2.677 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)C3(F)CCC3)C[C@H]21 1565544339 INMURMSLVUPSOM-YPMHNXCESA-N 303.381 2.590 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)c2c(F)cccc2F)cc1 13716820 IBZRKYCRRKVPOX-UHFFFAOYSA-N 304.296 2.506 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1nc(C2CC2)ccc1=O 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COC(=O)c1ccoc1COc1ccc(N2CCCC2=O)cc1 32899447 RFQBZWVHBGUDEW-UHFFFAOYSA-N 315.325 2.772 0 40 DFAB CCOC(=O)c1sc2ncn(CCC(C)C)c(=O)c2c1C 98321 RGNCSQYHILMVHL-UHFFFAOYSA-N 308.403 2.989 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96417100 KXMIJQWJQUPRQL-DZGCQCFKSA-N 316.426 2.932 0 40 DFAB O=C(OC1CCN(CC(F)(F)F)CC1)c1ccnc(Cl)c1 78984818 IZMYVCZKVARCGM-UHFFFAOYSA-N 322.714 2.919 0 40 DFAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(Br)o1 3279544 FLFDVBUOTDTCBT-UHFFFAOYSA-N 311.087 2.990 0 40 DFAB Cc1nc2ccccc2c2nc(NC(=O)c3ccc(F)cc3)nn12 3027569 IZOONOILJZUSKA-UHFFFAOYSA-N 321.315 2.977 0 40 DFAB COC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 4091974 WOGCRYGRFWNZAP-UHFFFAOYSA-N 305.355 2.580 0 40 DFAB O=C(C1CCCC1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 4382686 LPRWTGOJTNYUTD-UHFFFAOYSA-N 323.396 2.512 0 40 DFAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(C)s1 6680008 DVSRKLIWTKKRSG-UHFFFAOYSA-N 324.427 2.525 0 40 DFAB Cn1ccnc1SCC(=O)NC1(c2ccccc2)CCC1 53353089 DFCPWQFUJOKNPE-UHFFFAOYSA-N 301.415 2.708 0 40 DFAB 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COC(=O)c1c(NC(=O)CN2CCC[C@H](C)C2)sc(C)c1C 3564780 ASMCNHFXXYEVFX-JTQLQIEISA-N 324.446 2.822 0 40 DFAB CCc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1 12975261 YHYNPEOIHZEBPS-UHFFFAOYSA-N 316.390 2.678 0 40 DFAB CCN(CC)CC1CCN(C(=O)Cc2ccc(OC)cc2)CC1 49078581 BESMYSACJXVRSC-UHFFFAOYSA-N 318.461 2.818 0 40 DFAB CCc1cc2c(N[C@H]3CCc4nnc(C)n4C3)ncnc2s1 65548323 LGVXTCMAYQFCFO-JTQLQIEISA-N 314.418 2.581 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 19309968 VXUHESPIEHDYCZ-YPMHNXCESA-N 321.446 2.507 0 40 DFAB Cc1ccccc1C(C)(C)CNC(=O)CCCN1CCOC1=O 71185679 IKBVDARQKACWLK-UHFFFAOYSA-N 318.417 2.621 0 40 DFAB O=c1c2sccc2ncn1Cc1nc(-c2ccsc2)no1 14164828 LMTWZXCHPTXJHL-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1F 14169930 QRXOFIUDJYCCNS-CYBMUJFWSA-N 301.317 2.704 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2ccco2)cc2c1OCCO2 14139049 UJAMPYZXQBYMHF-JTQLQIEISA-N 303.314 2.550 0 40 DFAB O=C(CN1CCSC1=O)Nc1ccc(C(F)(F)F)cc1 14181357 MLWBNLRVUVQLEL-UHFFFAOYSA-N 304.293 2.813 0 40 DFAB 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Cc1cccc(OCCNC(=O)Cn2cnc3ccccc32)c1 7919309 STPCQUDBKMJBNW-UHFFFAOYSA-N 309.369 2.540 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cccc(NC(N)=O)c2)c1 69384424 CHRUKQGDGBXMFN-DLBZAZTESA-N 323.396 2.906 0 40 DFAB COc1ccc(C(=O)Nc2cc(C)ccn2)c(OC)c1OC 9313528 RILWISWUWBOENJ-UHFFFAOYSA-N 302.330 2.668 0 40 DFAB CC(C)CN1C[C@@H](C(=O)Nc2cccc3cnccc23)CC1=O 29783824 ISZHXXFXUCJWFR-AWEZNQCLSA-N 311.385 2.678 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1C(=O)O 8429435 NLHKFUONFDKECC-UHFFFAOYSA-N 308.721 2.824 0 40 DFAB CC(C)c1nc(CN2CCC[C@H](Cn3cncn3)C2)cs1 69773899 SXPYYFXWYWBIKK-ZDUSSCGKSA-N 305.451 2.770 0 40 DFAB C[C@H](NCC1=Cc2ccccc2OC1)c1ccc2[nH]c(=O)[nH]c2c1 69705050 QJBRHGIRLZVVFK-LBPRGKRZSA-N 321.380 2.983 0 40 DFAB CC(C)c1ccccc1OCCNC(=O)NC[C@@H]1CCOC1 71897677 CFJIXCKHEYMGQV-AWEZNQCLSA-N 306.406 2.525 0 40 DFAB CN(CCCOc1ccccc1)CC(=O)N(C)c1nccs1 71969977 SAWHMPUTXBXUFD-UHFFFAOYSA-N 319.430 2.507 0 40 DFAB O=c1[nH]c([C@@H]2CSCCS2)nc2cc(F)c(F)cc12 84338822 ACBYAVHPEOMJCP-JTQLQIEISA-N 300.355 2.722 0 40 DFAB CC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 97016478 NVJWGNWSAMPGGF-VHSXEESVSA-N 307.868 2.877 0 40 DFAB CNc1ncc(C(=O)N2CC(Oc3ccccc3Cl)C2)s1 97032085 RIPWZYKXLYMUEN-UHFFFAOYSA-N 323.805 2.742 0 40 DFAB C[S@@](=O)CCCNC(=O)Nc1ccccc1C(F)(F)F 72290457 AROBICNBJQDCMM-FQEVSTJZSA-N 308.325 2.596 0 40 DFAB C[C@@H]1Oc2c(C(=O)N[C@@H]3CCc4nccn4C3)cccc2[C@H]1C 72278647 JQDPNCJNOJTHKC-RWMBFGLXSA-N 311.385 2.512 0 40 DFAB COCCN1CCN(Cc2coc(-c3cccs3)n2)C[C@@H]1C 72279849 MTESBNQCBMHUIL-ZDUSSCGKSA-N 321.446 2.556 0 40 DFAB Cc1nn(CC(=O)N[C@@H](C)CCc2cccn2C)c(C)c1Cl 72296920 MTORLVXDGPCMSE-NSHDSACASA-N 322.840 2.629 0 40 DFAB CCCCS(=O)(=O)N1CC=C(c2cccc(OC)c2)CC1 95389972 KAFSQTNBIJCQTM-UHFFFAOYSA-N 309.431 2.914 0 40 DFAB CS[C@H]1CCCC[C@H]1NC(=O)NCCCn1ccnc1C 95399879 TVMWKDDSBPUKEI-KGLIPLIRSA-N 310.467 2.555 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H](C)CC(=O)c1cccs1 95450625 NRFZJZZRVMOEAI-QMMMGPOBSA-N 323.443 2.946 0 40 DFAB Cc1cc(C)cc(C[S@](=O)CCNC(=O)C2CCCC2)c1 95426005 XGUHRDWIKNENLP-NRFANRHFSA-N 307.459 2.859 0 40 DFAB CN1C(=O)c2ccc(C(=O)N(C)C3CCCCCC3)cc2C1=O 95469859 YMMMQJGXTIOEDC-UHFFFAOYSA-N 314.385 2.707 0 40 DFAB CC(C)n1ncc2ccc(NC(=O)N(C)CC[C@H](C)O)cc21 95409749 NZBMANBGZOXEOT-LBPRGKRZSA-N 304.394 2.852 0 40 DFAB COc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ncn1 95973849 GNULUKPDRXMCJA-UHFFFAOYSA-N 323.356 2.540 0 40 DFAB COc1cc([C@H](C)NC(=O)N2CCC[C@H]2C(C)(C)O)ccc1F 95939481 JRINMLVMNUVSEW-NHYWBVRUSA-N 324.396 2.840 0 40 DFAB CC(=O)Nc1ccc2nc(NC(=O)Cc3ccc[nH]3)sc2c1 89265539 BCRWDPPFZLDNDG-UHFFFAOYSA-N 314.370 2.764 0 40 DFAB COCCN1CCC(CNC(=O)c2sccc2C2CC2)CC1 89414321 LDENFEXAFADGRM-UHFFFAOYSA-N 322.474 2.714 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@@H](c2ccn[nH]2)C1 89774358 FMTXLAIIXGEMMH-CYBMUJFWSA-N 306.369 2.978 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)c2ccccc2O1 89808661 HEMUBVUTSFHAIG-ZDUSSCGKSA-N 320.352 2.695 0 40 DFAB Cc1cc(NC(=O)[C@H](C)SCc2nc(C3CC3)no2)on1 75584402 IQBYORCGDWTDAM-QMMMGPOBSA-N 308.363 2.504 0 40 DFAB C[C@@](O)(CNC(=O)Nc1cccnc1Cl)c1ccsc1 77512506 BJCZEZPAOHZYOB-CYBMUJFWSA-N 311.794 2.826 0 40 DFAB CCCN1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216541 ARDCAJDZZRFHDR-KRWDZBQOSA-N 302.466 2.770 0 40 DFAB CC1CCN(CN2N=C(c3ccc(F)cc3)CCC2=O)CC1 32926939 VWQVPGRPPPDTHF-UHFFFAOYSA-N 303.381 2.842 0 40 DFAB COc1ccccc1N1CCN(c2ncnc3c2CCCC3)CC1 129083721 QQVRLUNECATTRB-UHFFFAOYSA-N 324.428 2.691 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC(C(F)(F)F)(C1)C2 219779681 JMKZOZYBIOGWBH-PUVKNVPGSA-N 309.284 2.697 0 40 DFAB Cc1cccc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)c1C 521394333 WLPVIGCATWYUQE-YOEHRIQHSA-N 310.397 2.691 0 40 DFAB Cc1cccc(NC(=O)CN(C)Cc2nnsc2Cl)c1C 32759310 QIUWQMGMSBTSHE-UHFFFAOYSA-N 324.837 2.879 0 40 DFAB COc1ccccc1[C@@H]1C[C@]12C(=O)Nc1ccc(C(=O)O)cc12 217475417 MLCIKMGNIIQANI-SCLBCKFNSA-N 309.321 2.771 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccccc2CO)C1 228909976 IKZUTSYDXORNEY-CQSZACIVSA-N 306.406 2.672 0 40 DFAB O=C(NC[C@@H](CC1CC1)C(=O)O)c1cnc2ccsc2c1 571051892 COOYGYGOEOIVJC-LLVKDONJSA-N 304.371 2.527 0 40 DFAB COc1cc2c(cc1S(=O)(=O)NCc1ccco1)CCCC2 225297213 FBXCHGJMYDAHTK-UHFFFAOYSA-N 321.398 2.646 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-n3ccnn3)c2)no1 195545916 HKUQCBQRGLQAKM-INIZCTEOSA-N 323.356 2.541 0 40 DFAB CN1CCC[Sn](Cl)(Cl)CCC1 195754909 UWFHXEHXLWUVIL-UHFFFAOYSA-L 302.821 2.632 0 40 DFAB CCOC(=O)/C=C/C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 238294175 ANIYWBGEJZKMAE-OANVXVOSSA-N 313.394 2.868 0 40 DFAB CCOc1nnc(CN2CCOC[C@@H]2c2ccc(CC)o2)s1 96413023 JRUWEBGGIZVVIV-GFCCVEGCSA-N 323.418 2.666 0 40 DFAB C[C@H](C[S@@](C)=O)NC(=O)Nc1cc(-c2ccccc2)ns1 97372468 IZRWWCFZQWWTHD-UZJPJQLHSA-N 323.443 2.699 0 40 DFAB CC(C)(C)c1nnc(NCCc2cccc(C(N)=O)c2)s1 96482697 NNKZABDOIDAVKP-UHFFFAOYSA-N 304.419 2.589 0 40 DFAB CN(C)c1nc(CNC(=O)N[C@@H]2CCc3ccccc32)cs1 96446959 ZNXVITBWCNTCHP-CQSZACIVSA-N 316.430 2.696 0 40 DFAB COCc1nsc(N2CCN(c3cccc(C)c3C)CC2)n1 266857991 NTCPOQNWVNYXMT-UHFFFAOYSA-N 318.446 2.628 0 40 DFAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(CC4CC4)[C@@H]3C2)n1 96250759 FMASDQQWZQSGBS-QXAKKESOSA-N 316.445 2.796 0 40 DFAB C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(Cl)cc1 96425767 UZFNDTCOFUGVQO-SDJAHQOYSA-N 309.793 2.569 0 40 DFAB CN(Cc1cnc2ccccn12)C1CCN(c2ccccn2)CC1 95413174 NRJYXJPFQQXZEM-UHFFFAOYSA-N 321.428 2.830 0 40 DFAB Cc1cnc(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)s1 96193040 VNNTUVKLSSMQLM-UHFFFAOYSA-N 311.366 2.855 0 40 DFAB COC(=O)c1ccc(Cl)c(CN2CC[C@@]3(CCOC3)C2)c1 96500525 UGVZJCIXEAHTGK-MRXNPFEDSA-N 309.793 2.739 0 40 DFAB CN(c1ccccc1NC(=O)N1CC[C@H](O)C1)C1CCCC1 96475074 DZPLTPHCWKTVOL-AWEZNQCLSA-N 303.406 2.664 0 40 DFAB CCC[C@H](C(=O)NCCn1cnnc1C1CC1)c1ccccc1 96411892 TXCPGHOEXUJVHV-INIZCTEOSA-N 312.417 2.856 0 40 DFAB C[C@H]1C[C@H](Nc2ccc(OCc3ccccn3)c(F)c2)C(=O)O1 96447867 JGPKOVYRIPDHIC-NHYWBVRUSA-N 316.332 2.916 0 40 DFAB CN1CC[C@@H](Sc2nnc(-c3cc4ccccc4o3)o2)C1=O 96452657 CJEKLSDSRYAYAG-GFCCVEGCSA-N 315.354 2.806 0 40 DFAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cncs2)nc1 257340763 ZHLJEVXQYJJNCP-MRXNPFEDSA-N 316.430 2.511 0 40 DFAB CNc1cc([C@@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)ccn1 257318735 VPDWZOBKGUDGEZ-LAQIPUCWSA-N 322.412 2.938 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)n1 257311110 UHZLJJRHXATRJA-CYBMUJFWSA-N 316.405 2.924 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 252581679 LMZJUDYRMJDWPU-UXXRCYHCSA-N 306.793 2.815 0 40 DFAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1OC 257230195 GBGTYVKAWBGLIY-PBHICJAKSA-N 318.417 2.521 0 40 DFAB CCN1CCC(N(C(=O)c2ccc3c(c2)OCO3)C2CC2)CC1 57370624 PHNXUEYMVGSEFX-UHFFFAOYSA-N 316.401 2.504 0 40 DFAB COc1cccc(CN(C)C(=O)C(=O)Nc2ccc(C)cc2)c1 60882433 HNQLZBWSVYHTTQ-UHFFFAOYSA-N 312.369 2.601 0 40 DFAB CC(C)[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCC2 78562743 SPHFUKBFAOHXAN-CQSZACIVSA-N 320.343 2.630 0 40 DFAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21 169616605 VYXBHRQTPIDEGY-XRGAULLZSA-N 323.348 2.643 0 40 DFAB CCCN(CC(=O)O)C(=O)NC[C@@H]1SCCc2ccccc21 582942613 NJPWZNRSZOFOOK-AWEZNQCLSA-N 322.430 2.523 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 13345435 JUVAAHHXDZAZDW-IZZDOVSWSA-N 317.366 2.894 0 40 DFAB Cc1ccc(C)c(NC(=O)c2cccnc2N2CCOCC2)c1 23995644 ITTPWZNUVPOAJA-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB CO[C@H](CNC(=O)c1cc(C)on1)c1cc2ccccc2o1 244909657 APGIQBSFWYBBMQ-OAHLLOKOSA-N 300.314 2.847 0 40 DFAB Cc1cccc(CSc2nnc3[nH]c(=O)c(C)c(C)n23)c1 4250429 XWZHYGSJADULDY-UHFFFAOYSA-N 300.387 2.635 0 40 DFAB Cc1ccn2c(=O)nc(SCc3ccccc3F)nc2c1 4503926 JWQFWLIMJXJGKV-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB O=C(Nc1ccncc1)c1ccc(=O)n(Cc2cccc(F)c2)c1 7570634 BDHNQVXOYQIIHP-UHFFFAOYSA-N 323.327 2.683 0 40 DFAB c1csc(OC2CCN(c3nnc(C4CC4)s3)CC2)n1 2086875333 ATIXXSHIAFIMCB-UHFFFAOYSA-N 308.432 2.920 0 40 DFAB C[C@@](O)(CNC(=O)CSc1ccc(F)cc1)Cc1ccco1 206614965 OBWSLGQLTHWNQY-INIZCTEOSA-N 323.389 2.621 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 20086466 DSPUFXCTMTUEMR-GFCCVEGCSA-N 301.733 2.740 0 40 DFAB CCC[C@H](C)NC(=O)COc1ccc(-c2noc(C)n2)cc1 40464728 HBRQDIXCZHCZSN-NSHDSACASA-N 303.362 2.729 0 40 DFAB OCc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 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QHADUAZNMNXUFM-ZYHUDNBSSA-N 316.323 2.562 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)OC1 110574377 RBBMFNUYYFVJMI-SOUVJXGZSA-N 307.434 2.814 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)[nH]n1 56132094 HDGAKCHJDLTURI-MRXNPFEDSA-N 323.400 2.972 0 40 DFAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC=CCC2)N(C)C)cc1 25714878 RKAMGOASLQKUKJ-NVXWUHKLSA-N 302.418 2.770 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1F 3243992 JAXAJSDKQZQOMU-UHFFFAOYSA-N 313.328 2.962 0 40 DFAB CCN1CCC(NC(=O)COc2cccc(C(C)C)c2)CC1 44090654 IWHQGBMMXJPYEX-UHFFFAOYSA-N 304.434 2.789 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 44123876 YXHFEDZYPDNGAB-SWLSCSKDSA-N 319.405 2.972 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(F)cc1 3246202 YEGONULWYXBLED-UHFFFAOYSA-N 320.345 2.738 0 40 DFAB CCc1noc([C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)n1 44291911 DYJPINGGTOVGJH-LLVKDONJSA-N 317.389 2.769 0 40 DFAB CCN(CC)c1ccc(NC(=O)CSc2ncn[nH]2)cc1C 10012360 MHBKSDIHRPOUJZ-UHFFFAOYSA-N 319.434 2.690 0 40 DFAB COc1ccccc1[C@H](C)NCC(=O)NCc1ccc(C)cc1 58128541 DEDFOAOBUCKIBL-HNNXBMFYSA-N 312.413 2.971 0 40 DFAB COCc1ccccc1NC(=O)NCCCc1cn[nH]c1C 58177948 GBGOUDXYHFDMBH-UHFFFAOYSA-N 302.378 2.619 0 40 DFAB CNc1snc(C)c1C(=O)N(C)CCOc1ccccc1 27744501 KSUKJGDJFTXAOQ-UHFFFAOYSA-N 305.403 2.644 0 40 DFAB Cc1cccc(CNCc2c(C(C)C)nn(C)c2N(C)C)n1 58393339 NRROPZSKRIYIRV-UHFFFAOYSA-N 301.438 2.603 0 40 DFAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)c(C)s1 36394991 KKWFVSPXVIMCOL-UHFFFAOYSA-N 317.414 2.849 0 40 DFAB O=c1oc(-c2cccs2)nn1Cc1cc(-c2ccco2)on1 29515944 MDDMBSBGNXZNSJ-UHFFFAOYSA-N 315.310 2.861 0 40 DFAB COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 3430619 VLNSMBZNFGQQAR-UHFFFAOYSA-N 314.385 2.815 0 40 DFAB C[C@H](NC(=O)COc1ccccc1)c1ccc(-n2cncn2)cc1 12974661 HAZVJMSJQZYGJQ-AWEZNQCLSA-N 322.368 2.524 0 40 DFAB Cn1c(=O)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 12953902 MHBDAFPBLISZQM-HNNXBMFYSA-N 302.761 2.727 0 40 DFAB COc1ccc(CNCc2ccc(-n3ccnc3C)nc2)cc1O 48782318 OBNRBYBPDWQLEK-UHFFFAOYSA-N 324.384 2.580 0 40 DFAB CC(C)[C@@H](C(=O)N(C)CCc1ccncc1)N1CCCCC1 69879559 ZSOVCTUSLFOYSG-KRWDZBQOSA-N 303.450 2.593 0 40 DFAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1nc2nccc(C)n2n1 13011305 ATSLYPCHPUWICD-ZDUSSCGKSA-N 323.400 2.874 0 40 DFAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccc3)cc2c1 3985001 OAPSVQDBGLINBB-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB biogenic CC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccsc1 64679900 HKNOQYBWDDJJFU-UHFFFAOYSA-N 316.382 2.661 0 40 DFAB CCCCOCCCNCC(=O)Nc1ccc(OCC)cc1 6429212 WFGBCCIJASDKQP-UHFFFAOYSA-N 308.422 2.820 0 40 DFAB O=S(=O)(Nc1ccccn1)c1ccccc1C(F)(F)F 6588887 GVJFPZVQZCKOHT-UHFFFAOYSA-N 302.277 2.901 0 40 DFAB c1ccc(-c2nc(C3CCN(CCn4cccn4)CC3)n[nH]2)cc1 66831199 YNCIZLQAXWSRJE-UHFFFAOYSA-N 322.416 2.548 0 40 DFAB O=C(COC(=O)c1csc2ccccc12)NCc1ccco1 9495827 UHIHEHFGKKCKOY-UHFFFAOYSA-N 315.350 2.968 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 7056383 UGHVGDVHFOZQBQ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H](C)C2)o1 7196238 ZWKKBOKIIONSQH-SNVBAGLBSA-N 321.402 2.989 0 40 DFAB CN(Cc1nc2ccccc2s1)c1nnnn1-c1ccccc1 7469503 GJDHZUGZMWWMOL-UHFFFAOYSA-N 322.397 2.908 0 40 DFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1Cc2ccccc2O1 7492015 IPLCUICIXHAWRN-KRWDZBQOSA-N 322.364 2.756 0 40 DFAB CC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccccc1 7609090 GSPOIWPZMZAUKI-GOSISDBHSA-N 310.397 2.613 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H](CO)C1 96003130 VSISCRULVPIGOU-MRVPVSSYSA-N 320.723 2.788 0 40 DFAB CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCC(n2cncn2)CC1 71799721 XUCHBWHLISBJSI-HZPDHXFCSA-N 319.453 2.839 0 40 DFAB C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 70172869 VGASLXXFLCZSGM-IUCAKERBSA-N 317.252 2.710 0 40 DFAB C[C@H]1CCC[C@H]1NC(=O)NC1CCN(c2ccccn2)CC1 71856741 GNIUOBBQWBDDOG-DZGCQCFKSA-N 302.422 2.538 0 40 DFAB Nc1ccc2nc(Cc3cccc(Br)c3)[nH]c2n1 94264580 YCOLSJKSNXRJHN-UHFFFAOYSA-N 303.163 2.893 0 40 DFAB CC(C)(C)C[C@H](NC(=O)N1CCC[C@@H](CO)C1)C(F)(F)F 97136428 FZEYZPVFQWKAOU-MNOVXSKESA-N 310.360 2.767 0 40 DFAB Nc1nc(N)nc(SCc2cc(Cl)nc3ccccc23)n1 97163216 YMLYFQMXSAPICM-UHFFFAOYSA-N 318.793 2.530 0 40 DFAB O=C(Nc1ccccc1SCC(F)(F)F)[C@@]1(F)CCNC1 97019771 XSNCTDYUKAGAKG-GFCCVEGCSA-N 322.327 2.981 0 40 DFAB O=C(O)c1ccn(-c2cccc(NC(=O)[C@H]3C[C@@H]3C3CC3)c2)n1 97035920 XYHUBWSYRNZDOE-KGLIPLIRSA-N 311.341 2.555 0 40 DFAB COc1nc(C)cc(C)c1CNC(=O)N[C@@H](C)c1nccs1 72268164 AFKGJXBYAKNZSO-NSHDSACASA-N 320.418 2.724 0 40 DFAB CC[C@@H](CCO)NC(=O)Nc1c(C)cccc1OC(F)F 97598177 MCJLJOXWHVTFIL-JTQLQIEISA-N 302.321 2.879 0 40 DFAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)c1cc(C(N)=O)c[nH]1 84656472 ZZICDSFFKSIABQ-GFCCVEGCSA-N 311.385 2.727 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1ccc2cnn(C(C)C)c2c1 95400303 VEXYRSJVMQSINW-HNNXBMFYSA-N 304.394 2.756 0 40 DFAB O=C(Nc1ccc(F)nc1)c1ccc(N2CCCCC2=O)cc1 95423986 IGKVZTNWLLBUHH-UHFFFAOYSA-N 313.332 2.990 0 40 DFAB C[C@H](NC(=O)N1CCC(C2(C)OCCO2)CC1)c1ccco1 95440753 IIABEIVZNRDZIY-LBPRGKRZSA-N 308.378 2.525 0 40 DFAB c1ccc(-c2cc(NOCc3cccnc3)n3ncnc3n2)cc1 95972408 NZXPWRVYNLPNBY-UHFFFAOYSA-N 318.340 2.730 0 40 DFAB C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1F 95962509 VSYJNGNCOOSWNK-XQLPTFJDSA-N 322.424 2.971 0 40 DFAB COc1cc(F)c(C(=O)N(C)c2ncccc2F)cc1OC 89364949 WOQAOHHHHXEKDM-UHFFFAOYSA-N 308.284 2.654 0 40 DFAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1csnn1 35673419 IFEDYEBLVCEPFP-GFCCVEGCSA-N 322.459 2.557 0 40 DFAB CC(C)N(C[C@H]1CCCCN1CC(=O)O)C(=O)OC(C)(C)C 79410681 UMVLUTITKBLKTB-CYBMUJFWSA-N 314.426 2.571 0 40 DFAB O=C(COC(=O)Cc1cccs1)N[C@@H]1CCc2ccccc21 72330859 MFGXWWAMRJGOJV-OAHLLOKOSA-N 315.394 2.638 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCc2ccco2)[C@H]1c1cccs1 72239377 SDWFMNLAYAVBDJ-DOMZBBRYSA-N 318.398 2.567 0 40 DFAB Cc1cc(N(C)C)cc([C@H]2CCN(CC3CCOCC3)C2)n1 72386146 LMGLPKAVJKZJPY-INIZCTEOSA-N 303.450 2.672 0 40 DFAB CC(C)OCCCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38858580 REQXNMLVUNTJSV-SFHVURJKSA-N 318.461 2.830 0 40 DFAB COCCN1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354634 CRNMOUNDNOGNAC-OAHLLOKOSA-N 316.380 2.648 0 40 DFAB O=C(c1cnco1)N1CC[C@H](Cc2ccc3ncccc3c2)C1 72368369 WEIMVBNBTIOYHT-CQSZACIVSA-N 307.353 2.928 0 40 DFAB CN(Cc1nc2c(F)cccc2[nH]1)Cc1nccn1C(F)F 72766238 OINUMPGYXJFIEI-UHFFFAOYSA-N 309.295 2.926 0 40 DFAB C[n+]1c(C(F)F)c(=O)n(Cc2cccs2)c2ccccc21 226820089 RHUKGHBPHVALLG-UHFFFAOYSA-N 307.345 2.873 0 40 DFAB FC(F)(F)c1cnc(S)c(I)c1 47212321 IYCNHJIMMXKZJF-UHFFFAOYSA-N 305.062 2.994 0 40 DFAB CCn1nccc1CN[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]12 195559952 QFTVYFGYGIYQGL-IHPCNDPISA-N 324.472 2.903 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2cccnc2)C1 225731996 AMSNCJHAXSZPGN-KBPBESRZSA-N 306.479 2.736 0 40 DFAB CNC(=S)Nc1nc(Cl)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225880959 ZTUQHWAOISGETP-RKDXNWHRSA-N 313.858 2.529 0 40 DFAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C(C)C 222755990 TUOCMFHLXMHLGS-HNNXBMFYSA-N 304.434 2.976 0 40 DFAB O=C(Nc1cc(I)ccn1)c1ccccc1 89228969 HJBYXNPMWWDVEQ-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB COCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225883480 WBFYKQYLCDXZHV-KRWDZBQOSA-N 324.421 2.805 0 40 DFAB CN(Cc1ccccn1)[C@H]1COC2(CCN(CC3CC3)CC2)C1 96048064 VBBMFXBSAVLGRX-GOSISDBHSA-N 315.461 2.547 0 40 DFAB COC(=O)[C@@H](C)c1c(C)nn(Cc2cccc(OC)c2)c1C 96496146 XTFREQHCNUYBFY-NSHDSACASA-N 302.374 2.833 0 40 DFAB C/C=C1\[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 141196469 BJAFGFIFFFKGKA-QVFNXPESSA-N 322.408 2.831 0 40 DFAB biogenic,in-vitro CCc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)s1 96480164 LPOQQOLGWYWIEJ-CQSZACIVSA-N 316.382 2.530 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)CC(=O)N2C)cc1 96181398 IECQUNKNXLFREE-WBVHZDCISA-N 300.402 2.527 0 40 DFAB CNC(=O)CN(C(=O)CC1=CCCCC1)c1cccc(F)c1 96404622 ZELNAOJGAHVLPV-UHFFFAOYSA-N 304.365 2.795 0 40 DFAB CC[C@H]1N(Cc2cccc(OC)c2)CCC[C@]12CCC(=O)N2 96045691 FRHOJAUVDHABCG-AEFFLSMTSA-N 302.418 2.718 0 40 DFAB CC(C)[C@H](NC(=O)N1CCCCCCC1)c1nnc2n1CCC2 96404823 BPDWNHBLAYRBSV-HNNXBMFYSA-N 319.453 2.897 0 40 DFAB CCn1ncc2c1[C@H](COC)CN(Cc1ccc(OC)cc1)C2 96060149 ZBOASAXTMISWQI-INIZCTEOSA-N 315.417 2.657 0 40 DFAB O=C(c1ccccc1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072487 ZSIDXVMINHIEGO-IEBWSBKVSA-N 324.380 2.534 0 40 DFAB CC(C)n1cc(CNCc2ccnn2CC(F)(F)F)cn1 256049712 BBVJCLFSWJAZNX-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB Cc1cn[nH]c1[C@@H]1COCCN1Cc1ccc2ncccc2c1 257242178 IBKLKAVIHLROPD-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB Cc1cc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)no1 253472076 IOUQKCCDUWZOAS-UHFFFAOYSA-N 321.764 2.715 0 40 DFAB Cc1ccc([C@H](C)NC(=O)N2CCN(c3nccs3)CC2)o1 43719922 MYVBVLCFAKDPCX-LBPRGKRZSA-N 320.418 2.637 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)n1 257215746 CRLZRLFOWSOXDR-INIZCTEOSA-N 320.396 2.906 0 40 DFAB Nc1nc(C2CCNCC2)ccc1C(=O)Nc1ccc(F)cc1 257288250 PTMZAFKZCZWHMV-UHFFFAOYSA-N 314.364 2.522 0 40 DFAB O=C(c1ccccc1)N1CC2(CO[C@@H](Cc3cccnc3)C2)C1 257263547 LQLJIZZRNYJFFH-KRWDZBQOSA-N 308.381 2.555 0 40 DFAB Cc1cc(CO)cc(C)c1OS(=O)(=O)c1ccc(F)cc1 256051476 JHINQFXNTPEKSS-UHFFFAOYSA-N 310.346 2.703 0 40 DFAB O=C(Nc1ccccc1F)N1CCC(Cn2ccnc2)CC1 85436353 PMUMKAOEVRMNBV-UHFFFAOYSA-N 302.353 2.966 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)N(CC)C[C@H]2CCCO2)c1 53433314 HLZJJEGMPBLVFQ-OAHLLOKOSA-N 320.389 2.896 0 40 DFAB O=C(NCCSC(F)(F)F)NCCc1ccccc1F 59852988 BHCNIYWJIBXBAL-UHFFFAOYSA-N 310.316 2.920 0 40 DFAB COc1ccc(CN2CCC(CNc3ncccn3)CC2)cc1 63282554 LJGVJHANCJLURU-UHFFFAOYSA-N 312.417 2.809 0 40 DFAB O=C(c1ccco1)N1CCC(CSC2=NCCS2)CC1 75172388 YVGYCCPPJCXGKG-UHFFFAOYSA-N 310.444 2.968 0 40 DFAB CCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1 92502621 IKZGPXPEEGGKRF-UHFFFAOYSA-N 316.386 2.629 0 40 DFAB O=C(c1ccnn1CC(F)F)N1CCC[C@@H](c2ccncc2)C1 569410192 LLQJRNJNQVAVNQ-CYBMUJFWSA-N 320.343 2.563 0 40 DFAB CCCCOCC(=O)Nc1ncc(Br)cc1C 95971676 SAVKAUKPJWSELY-UHFFFAOYSA-N 301.184 2.908 0 40 DFAB Nc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1 4430760 CQNRHAOUJJONJK-UHFFFAOYSA-N 309.127 2.545 0 40 DFAB COc1ccc(NC(=O)COc2ccccc2F)cc1OC 5680371 HGWNBJTXLYSQNE-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB CCn1nnc2cc(C(=O)OCCOc3ccccc3)ccc21 5804973 JAIRJUGOJKWGSV-UHFFFAOYSA-N 311.341 2.687 0 40 DFAB CCC(=O)N1CCN(c2ccc(-c3ccc(C)c(C)c3)nn2)CC1 11695292 YGUZEHVWUGXSQO-UHFFFAOYSA-N 324.428 2.819 0 40 DFAB CCn1nnc2cc(C(=O)OCc3cccc(OC)c3)ccc21 12214611 JVQKMEWGFIUDSL-UHFFFAOYSA-N 311.341 2.817 0 40 DFAB Cc1csc([C@H](Cc2cccs2)NC(=O)[C@H]2CCOC2)n1 12226314 YQTRUCUWNVEWEC-AAEUAGOBSA-N 322.455 2.950 0 40 DFAB C[C@H](NC(=O)Nc1c[nH]c2ccccc2c1=O)c1ccncc1 13565871 IXNJIEYMWRAEKN-NSHDSACASA-N 308.341 2.806 0 40 DFAB CCCC(=O)N1CCN(c2ccc(NC(C)=O)cc2Cl)CC1 14258595 PCPKMFMACICFAP-UHFFFAOYSA-N 323.824 2.747 0 40 DFAB COC(CN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)OC 161608211 HLGHUWLTMCHVPI-QZTJIDSGSA-N 318.461 2.592 0 40 DFAB C[C@](O)(CNC(=O)CSCc1ccccc1)Cc1ccco1 206614633 MQIPJIGOWWOPIV-QGZVFWFLSA-N 319.426 2.623 0 40 DFAB Cn1cccc1CN(Cc1cccs1)C(=O)c1ccno1 49409781 WOSITVCBUFYADG-UHFFFAOYSA-N 301.371 2.917 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3nnc4ccccn34)n[nH]2)s1 30691480 VXNLEOFQOUZJKG-UHFFFAOYSA-N 324.369 2.742 0 40 DFAB CCCOC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 100522960 FDCRBUWICNYPPL-HUUCEWRRSA-N 313.353 2.709 0 40 DFAB CC(C)CNC(=O)[C@H](C)Sc1nc(Cc2cccs2)n[nH]1 32893259 FAAKWSMCFAYZFF-JTQLQIEISA-N 324.475 2.710 0 40 DFAB COC(=O)[C@@H](C)n1cnc2scc(-c3ccccc3)c2c1=O 144760 IRMDHLRFBJDQOP-SNVBAGLBSA-N 314.366 2.859 0 40 DFAB Cc1nnc2n1CCN(Cc1c(Cl)ccc3cccnc13)C2 69511187 KRQQFWBJWHINKC-UHFFFAOYSA-N 313.792 2.804 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC(Nc2cccnn2)CC1 69655333 RTWNQIPDYSIHMG-UHFFFAOYSA-N 322.412 2.682 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@@H]2c2noc(C)n2)cc1 76043125 IOPKQFWTHNFSSW-CQSZACIVSA-N 301.346 2.502 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)O[C@H](C)c1cccnc1 76090412 FVUGHYZFGVERTH-CYBMUJFWSA-N 308.341 2.889 0 40 DFAB CN(C)[C@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccsc1 76084024 XRQRZAQLKBTFBR-IJEWVQPXSA-N 319.474 2.958 0 40 DFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 2771497 JIYIZZKQWJSONI-HOTGVXAUSA-N 307.357 2.828 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 3316585 YIIKAUGAHGWABQ-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB Cc1cccc(NC(=O)C[C@@H](NCCC(C)C)C(=O)O)c1C 4280105 NFDNLIUJKMIVOU-OAHLLOKOSA-N 306.406 2.721 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)[C@@H]1COc2ccccc2C1 21938470 MJGIWSWMZJABKQ-SFHVURJKSA-N 324.424 2.616 0 40 DFAB COc1cc(OC)c(C(=O)N[C@@H](C)Cc2ccco2)cc1OC 33206760 KOTBKCXCLHOMPR-NSHDSACASA-N 319.357 2.666 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 53124972 MLWQMXLAXLTPDK-UHFFFAOYSA-N 321.396 2.984 0 40 DFAB Cc1ncsc1C(=O)Nc1nnc(-c2ccc(F)cc2)[nH]1 69654806 NLUJUWOHFKLMEC-UHFFFAOYSA-N 303.322 2.628 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 12125019 YWXRGIBODADKEV-GFCCVEGCSA-N 310.353 2.991 0 40 DFAB CCOc1ccc(CNn2c(C)n[nH]c2=S)cc1OCC 8324956 BVOJRVKCCXSFJN-UHFFFAOYSA-N 308.407 2.790 0 40 DFAB COc1ccc(CNCc2ccc(Cn3ccnc3)cc2)cc1O 42228164 LMULKLPBRVWIHJ-UHFFFAOYSA-N 323.396 2.935 0 40 DFAB O=C(NCc1cccnc1)c1nc(-c2ccc3[nH]ccc3c2)no1 12324748 LJFSGZBWQHFWGK-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB Cc1cccc(N(C)C(=O)CN2C(=O)COc3cc(C)ccc32)c1 51316371 BFSHTGPUPORYFP-UHFFFAOYSA-N 324.380 2.692 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 109034852 HHABUIATFTVOAQ-QRTARXTBSA-N 314.429 2.879 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)CO1 44487416 YXXJKJZZSHOUFY-RYUDHWBXSA-N 319.792 2.775 0 40 DFAB CCc1ccc(C(=O)n2c(S)nc3ccccc3c2=O)cc1 103650411 SQQIMDJULMHJMT-UHFFFAOYSA-N 310.378 2.936 0 40 DFAB CCOC(=O)CCN(C(=O)Nc1ccc(OC)cc1)C1CC1 58130227 ILYRETRGVUZSPD-UHFFFAOYSA-N 306.362 2.645 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)NC2CCCC2)cc1 57634498 PKNDRTZMGRNUFI-ZDUSSCGKSA-N 305.374 2.702 0 40 DFAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@H]1CC=CCC1 58341274 ABEABUPNLOSEHV-JKSUJKDBSA-N 303.402 2.516 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)NCC1(N(C)C)CCCCC1 27579737 CAHANKABFPYGOX-AWEZNQCLSA-N 322.424 2.974 0 40 DFAB CN(C)S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 27968574 LICMXJWTQKTZLJ-INIZCTEOSA-N 322.405 2.653 0 40 DFAB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)NCc1cccs1 28343467 DVRFGUHAEXORAI-NSHDSACASA-N 302.399 2.800 0 40 DFAB COc1cc(SC)ccc1C(=O)NC1(C(=O)O)CCCCC1 12684321 BCZKZTXSGDDTGU-UHFFFAOYSA-N 323.414 2.934 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)cc1 3311653 MRWUMIFMAAZEJD-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB Cc1ccc(N2C(=O)N(Cc3c(C)noc3C)C(=O)[C@H]2C)cc1 3308856 VDKAIHXROHCVDB-GFCCVEGCSA-N 313.357 2.957 0 40 DFAB COc1ccc(N2C(=O)C[C@](C)(c3ccccc3)C2=O)cc1O 48311245 UOEFKLYJHPQHSR-GOSISDBHSA-N 311.337 2.622 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12896263 VDYVABAKTVYRMT-HYVNUMGLSA-N 314.429 2.730 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)C(C)(C)C)CC2)nc(C)n1 69842636 WFSSGQRLWUPGCX-UHFFFAOYSA-N 304.438 2.567 0 40 DFAB CCN(CC)CC1CCN(C(=O)Nc2cccnc2OC)CC1 48413853 AGGGGRQVXZGZQL-UHFFFAOYSA-N 320.437 2.676 0 40 DFAB Brc1ccc([C@H]2CN(c3ncccn3)CCO2)cc1 49056274 RXAJPELXXYLWNQ-CYBMUJFWSA-N 320.190 2.817 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 9337722 MDVSZYSDORBMPM-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CS[C@@H](C)C(=O)Nc1ccc2nc(NC(C)=O)sc2c1 49316703 WVRQNASUYITZTQ-ZETCQYMHSA-N 309.416 2.945 0 40 DFAB COc1ccc2c(c1)c([C@@H](O)CN1CCSCC1)c(C)n2C 5140652 MAHCMKZUBOFMEF-INIZCTEOSA-N 320.458 2.578 0 40 DFAB CC(C)(C(=O)NCCCN1CCOC1=O)c1ccc(Cl)cc1 65592496 FQMPRACLOAZPAO-UHFFFAOYSA-N 324.808 2.576 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccco1 14139277 WWEZKSKVKPKAML-UHFFFAOYSA-N 311.341 2.746 0 40 DFAB COc1ccc(COn2nnc3ccc(Cl)cc32)cc1F 5458568 XJXPMFBPCBKZAV-UHFFFAOYSA-N 307.712 2.861 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)nc2O)C1 66776118 JOKRASXLBKKHHV-DTORHVGOSA-N 302.296 2.924 0 40 DFAB Cn1ncc(Cl)c1-c1nn2c(-c3ccsc3)nnc2s1 71284452 PODWOLWYRRMOOC-UHFFFAOYSA-N 322.806 2.968 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 80337164 WBBVBZQZFWWMBU-LLVKDONJSA-N 322.390 2.566 0 40 DFAB Cc1ccccc1C(=O)Nc1cc2c(cc1C(=O)O)OCCO2 7777866 VLJQTYPKOXDFJR-UHFFFAOYSA-N 313.309 2.717 0 40 DFAB CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 96009404 ZFAKJFRXZRVNBZ-CYBMUJFWSA-N 305.426 2.761 0 40 DFAB COc1ccccc1CNC(=O)c1ccccc1N1CCCC1=O 7807764 GAHFWAROFKLVLG-UHFFFAOYSA-N 324.380 2.752 0 40 DFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc2ccccc2c1 8156393 UMDZULROULYDLD-UHFFFAOYSA-N 322.364 2.887 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2c2cnc3ccccc3n2)n1 69453432 XDCREHWFLSPJHO-AWEZNQCLSA-N 308.389 2.507 0 40 DFAB CCOCCS(=O)(=O)N(CC)Cc1ccc(Cl)s1 69597308 SZIJTBPSQMDGRV-UHFFFAOYSA-N 311.856 2.590 0 40 DFAB Cc1oc(C)c(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1C 71829430 KUUOUZQEGSYKFZ-LBPRGKRZSA-N 320.433 2.530 0 40 DFAB O=C(c1cccnc1-n1cccn1)N1CC[C@H]2CCCC[C@H]2C1 71828338 GHEOONQCCUFECT-CABCVRRESA-N 310.401 2.920 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)NC1CCCCC1 9616975 SULQYSLHGRLDCG-UHFFFAOYSA-N 303.406 2.977 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1noc(C2CC2)n1 84335006 XYCLEXWEWRGKKC-LLVKDONJSA-N 306.753 2.906 0 40 DFAB CCc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 408707332 NDOUSGOLWWRVLJ-BBRMVZONSA-N 302.418 2.560 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ncccc2Cl)C1 97046958 IXSJWHQZOLMZKF-VXGBXAGGSA-N 323.824 2.958 0 40 DFAB C[C@H](CCNS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 72717681 VCGBCBZTZKBFFZ-SNVBAGLBSA-N 324.368 2.595 0 40 DFAB CN(C)CCNC(=O)Nc1ccnc(Oc2ccccc2)c1 95460962 XFWRNRZGIVWIOB-UHFFFAOYSA-N 300.362 2.557 0 40 DFAB CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccnc(C)n1 95465840 VLQHUOZZOXBAGM-BONVTDFDSA-N 319.792 2.944 0 40 DFAB C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)C1CCC1 95420869 LZRHGPMELVYQED-KSSFIOAISA-N 316.445 2.874 0 40 DFAB C[C@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)Cc1cccs1 74627847 XQBIMFYNBWAUSZ-GJZGRUSLSA-N 321.490 2.806 0 40 DFAB Cc1cnc(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)nc1 89487644 VBMGEOACFKPPJV-SNVBAGLBSA-N 309.391 2.605 0 40 DFAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 89442166 RIZJLKZSKWWPJW-HNNXBMFYSA-N 313.401 2.757 0 40 DFAB COC(=O)[C@]1(C)CCN(C(=O)N[C@H](C)Cc2ccc(C)s2)C1 89656514 FWDTXHGKFBMPBM-BDJLRTHQSA-N 324.446 2.582 0 40 DFAB Cc1ccc(NC(=O)NCc2nc(-c3ccccn3)no2)cc1 75493142 MWEGVCVUJCDKCF-UHFFFAOYSA-N 309.329 2.762 0 40 DFAB O=C(CN1C(=O)S/C(=C\c2ccc[nH]2)C1=O)c1ccccc1 409128445 FAHIHFKEHAYWAN-ZROIWOOFSA-N 312.350 2.934 0 40 DFAB Cc1cc(C(=O)N[C@H](C(C)C)C2(CO)CCC2)nn1C(F)F 517172345 JQYAWQSVQLQYCJ-GFCCVEGCSA-N 315.364 2.504 0 40 DFAB CNc1ccc(C[C@H]2CCCN(Cc3scnc3C)C2)nn1 72366108 KXSMROJQIMVWRZ-CYBMUJFWSA-N 317.462 2.738 0 40 DFAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1cnccn1 32611096 OMNNWLWPSTVVKH-UHFFFAOYSA-N 316.311 2.517 0 40 DFAB O=C(NCc1cccs1)[C@H]1CCCN1C(=O)c1cccs1 39478190 CNJGCYFRLROGKR-GFCCVEGCSA-N 320.439 2.731 0 40 DFAB CCOC(=O)c1cnc(N2CCC=C(c3ccccn3)C2)nc1C 521398399 DHUVJTYYZZPKTA-UHFFFAOYSA-N 324.384 2.650 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cccc(F)c1F 31557975 SGZPLNQRHSCOOU-HNNXBMFYSA-N 320.339 2.839 0 40 DFAB CCn1ccc2ccc(NC(=O)N(C)C[C@H](O)C3CC3)cc21 79805901 GMXWJYXVVZHDOT-INIZCTEOSA-N 301.390 2.896 0 40 DFAB CNc1cccc([C@H]2CCCN(C(=O)c3cncs3)C2)n1 72368421 OPOZITYPVVKPDR-NSHDSACASA-N 302.403 2.600 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 75157487 IORVOTCRJVGFLD-CYBMUJFWSA-N 321.364 2.939 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC 225522173 VAHIYYYMVWWJCI-SFHVURJKSA-N 324.424 2.783 0 40 DFAB Cc1cccc(CS(=O)(=O)NCCOc2ccccc2C)c1 224168526 AVUNBCOJEOLCJB-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB O=C1C[C@H](c2noc(-c3ccccn3)n2)CN1Cc1ccccc1 42381052 WDYSRKOTIRHVJT-AWEZNQCLSA-N 320.352 2.648 0 40 DFAB CCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225895415 BUGUUGJXNTZQEX-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB COc1ccc(OC)c(C[C@@H](OCc2ccccc2)C(=O)O)c1 225116880 YRFVNLRSSNLHGT-QGZVFWFLSA-N 316.353 2.916 0 40 DFAB O=c1cc(Cn2cccn2)c2ccc(Br)cc2o1 85399441 IFLAONKJGSJARN-UHFFFAOYSA-N 305.131 2.800 0 40 DFAB Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NC(C)C)O[C@@H]3C2)s1 96217576 YYWPIKBOWQHRQU-SQWLQELKSA-N 322.474 2.561 0 40 DFAB CCN(c1ccc(Br)cc1Cl)S(C)(=O)=O 96460618 WWAAMHFPJPQVPJ-UHFFFAOYSA-N 312.616 2.888 0 40 DFAB c1ccc(O[C@H]2COC3(CCN(C[C@@H]4CCOC4)CC3)C2)cc1 96221858 RFIIPZBLGDBXJE-FUHWJXTLSA-N 317.429 2.725 0 40 DFAB Cc1nnnn1-c1ccccc1C(=O)Nc1cccc2[nH]ccc12 95474378 FABXIIQLKXKZDE-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB CSC[C@H]1CCN(S(=O)(=O)C[C@@H](C)c2ccccc2)C1 96482435 MUUXOMIJNMIUNG-KGLIPLIRSA-N 313.488 2.805 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)c(C)s1)CC2 96420923 VCSZLKVSGNUDBO-CABCVRRESA-N 323.458 2.757 0 40 DFAB C[C@H](O)[C@H]1CCN(C(=O)NCCc2csc3ccccc23)C1 97372700 QDQGGOWLIUVLEV-STQMWFEESA-N 318.442 2.856 0 40 DFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccsc3)C2)c1F 244970117 HKOVLUNJJAJUQC-NSHDSACASA-N 321.377 2.533 0 40 DFAB COCC[C@H]1CCOC12CCN(C(=O)c1ccc(C)o1)CC2 247892776 GGBVYJXPOZEROQ-AWEZNQCLSA-N 307.390 2.636 0 40 DFAB Cc1nc(C)c(C(=O)N2CCNC[C@H]2c2ccccc2)s1 257342067 ZMYCBAARNYJNRA-AWEZNQCLSA-N 301.415 2.547 0 40 DFAB Cc1nnc([C@@H]2CCCN(c3ncnc4ccsc34)C2)o1 624302395 RLYRFMQTCQDVAL-SNVBAGLBSA-N 301.375 2.767 0 40 DFAB CCCn1ccnc1CN1CCC[C@@H]1c1cc(NC)nc(C)n1 257240555 HUBJBFBCJBUYSS-OAHLLOKOSA-N 314.437 2.770 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@]1(O)CCc2ccccc2C1 85559778 GACYCXHSUSJYHA-CFGKVWFZSA-N 307.393 2.736 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)s1 257344490 ZXMQCTSTLORWOQ-CQSZACIVSA-N 318.446 2.834 0 40 DFAB C1CC(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)C1 585105477 XJSPUNLZOZAUEL-INIZCTEOSA-N 311.491 2.790 0 40 DFAB O=C(NCC1CCCCC1)c1ccc(-c2ccco2)[nH]c1=O 67808994 XRHXNXQEOZBLGA-UHFFFAOYSA-N 300.358 2.945 0 40 DFAB C[C@H]1CN(Cc2noc(C3CC3)n2)c2ccccc2N(C)C1=O 72485219 SPGIPYCEVLGMBK-NSHDSACASA-N 312.373 2.566 0 40 DFAB O=C1NC(=S)N/C1=C/c1ccc(OCc2ccccc2)cc1 439376 FSXAKMDBNIKYRG-XNTDXEJSSA-N 310.378 2.611 0 40 DFAB O=c1ccc(-c2ccc(F)cc2)nn1CCN1CCCCC1 5399584 UHUNOQGWNAENDQ-UHFFFAOYSA-N 301.365 2.535 0 40 DFAB C[C@@H]1C[C@H]2OC(=O)C[C@H]2[C@H](O)[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706442 SPLOODGEQMWFMA-CPWCINHPSA-N 310.434 2.919 0 40 DFAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCC[C@H]1CCOC1 13996134 QWGUJTJCZNFWEH-AWEZNQCLSA-N 313.401 2.932 0 40 DFAB Nc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Cl 19984151 ISMHLVSIRFWFMA-UHFFFAOYSA-N 308.790 2.674 0 40 DFAB CCSC[C@@H](C)N(C)C(=O)c1cnc(C(F)(F)F)nc1 157778836 YXUHWNOXAOCXTA-MRVPVSSYSA-N 307.341 2.709 0 40 DFAB C[C@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 6383145 LMAKRFWEGFOISG-VSUWBIFXSA-N 311.746 2.849 0 40 DFAB CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NCCO)CC1 252517825 SKKRCJCWMVESNM-QAQDUYKDSA-N 320.433 2.538 0 40 DFAB COc1cccc2sc(NC(=O)c3cc(C)nn3C)nc12 9122352 MESFELFGRRUMFH-UHFFFAOYSA-N 302.359 2.599 0 40 DFAB Cc1cc(N2CCNCC2)c2cccc(Br)c2n1 40175104 RYFZLLDEOALIOG-UHFFFAOYSA-N 306.207 2.715 0 40 DFAB in-vitro O=C(NC[C@@H]1COc2ccccc2O1)c1ccnc2ccccc12 72752744 SUIAUXJNZUKGBA-CYBMUJFWSA-N 320.348 2.805 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 30005414 LEGOQYNFUBRDBR-QVHKTLOISA-N 305.422 2.832 0 40 DFAB C[C@H](NC(=O)c1cccnc1)c1ccc(NC(=O)C2CC2)cc1 31395489 HPNURYLAKPOVBX-LBPRGKRZSA-N 309.369 2.921 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3csnn3)C2)cc1 50768092 MAWGBBCYURSCQG-CQSZACIVSA-N 301.415 2.941 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 50736066 DUPPWJFQKMUOBS-UKRRQHHQSA-N 320.408 2.983 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)Nc1cc(F)ccc1F 40525757 WMJQVCZELNEHMV-CQSZACIVSA-N 310.275 2.959 0 40 DFAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Nc1cccc(F)c1 101445612 CXXRXKGJYGVQCJ-ZNIXKSQXSA-N 306.337 2.535 0 40 DFAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 89296 SNQMYVHDYDPQJS-LJQANCHMSA-N 309.365 2.904 0 40 DFAB CSCC[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C 76018050 KMPSVHQPXVXXHF-YPMHNXCESA-N 315.508 2.792 0 40 DFAB Cc1cc(NC(=O)N(C2CC2)[C@@H](C)C2CC2)ccc1C(N)=O 76070367 AONABACPSCXHIF-NSHDSACASA-N 301.390 2.889 0 40 DFAB COc1ccc([C@H](OC(C)=O)C(=O)NC2CCCCC2)cc1 1345167 IPIIWLYHIJEXMW-INIZCTEOSA-N 305.374 2.748 0 40 DFAB C[C@@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCCC1 78890431 CUQAPMLDWDSANG-UKRRQHHQSA-N 318.465 2.616 0 40 DFAB CCc1oc(C(=O)OC)cc1Cn1ccnc1-c1ccccn1 79021254 RRQUWEXQVRIMRN-UHFFFAOYSA-N 311.341 2.935 0 40 DFAB COc1cc(CNC(=O)C(C)(C)C)ccc1OC[C@@H]1CCCO1 32931012 IXPLLXFQUYKLIT-AWEZNQCLSA-N 321.417 2.915 0 40 DFAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc2c(c1)NC(=O)CO2 33119030 IIOQWXRZVNRAMR-NWDGAFQWSA-N 300.358 2.551 0 40 DFAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc2c(c1)NC(=O)CO2 33119028 IIOQWXRZVNRAMR-RYUDHWBXSA-N 300.358 2.551 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccccc2F)C1 6463733 PRFMIOYYJLGYGE-NSHDSACASA-N 310.394 2.798 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCCC1=CCCCC1 6742578 DBEYVSDJDCLIOV-QXSJWSMHSA-N 303.402 2.906 0 40 DFAB O=C(NC(=S)NC1CCCC1)c1ccc(Br)o1 12137297 KNOAMLGTSZXJJK-UHFFFAOYSA-N 317.208 2.589 0 40 DFAB c1ccc(CN2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 107787684 JOQCVIZHLOVKKU-MJGOQNOKSA-N 324.428 2.712 0 40 DFAB O=c1[nH]c(=O)n(C2CCCCC2)c2nccc(-c3ccco3)c12 10157291 MEYMTEAAKJKANJ-UHFFFAOYSA-N 311.341 2.850 0 40 DFAB C[C@H](C(=O)N1CCCC[C@H]1C)N1CCC(N2CCCCC2)CC1 26439440 QYFIXKUOZNBGRG-IAGOWNOFSA-N 321.509 2.726 0 40 DFAB Cc1noc([C@H]2CCCN([C@@H](C)c3nc(C(C)C)no3)C2)n1 54676354 YHBIWPGYZIMJGU-JQWIXIFHSA-N 305.382 2.825 0 40 DFAB c1ccc([C@@H](CNc2ncnc3[nH]ncc23)N2CCCC2)cc1 12556516 MEQRXCBSRFZNRK-OAHLLOKOSA-N 308.389 2.602 0 40 DFAB Cc1ccc(NC(=O)Nc2snnc2C(=O)NC(C)C)cc1 1416988 WHWHJAPWGLCDAZ-UHFFFAOYSA-N 319.390 2.629 0 40 DFAB C[C@H]1CN(C(=O)N[C@H](C)Cc2c(F)cccc2F)C[C@@H](C)O1 109045891 SGISAVORUPXZAR-UTUOFQBUSA-N 312.360 2.715 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1 58008638 FXYCQEQRMIRBQD-NXEZZACHSA-N 316.323 2.738 0 40 DFAB CCCCN(CC(N)=O)Cc1coc(-c2ccc(C)cc2)n1 48048541 UTSXYTYGGKRBDN-UHFFFAOYSA-N 301.390 2.737 0 40 DFAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1 10131889 LETDBBUIKYIQJE-UHFFFAOYSA-N 319.364 2.857 0 40 DFAB CN(CCc1ccccn1)C(=O)c1cccc(OC(F)F)c1 12634245 JKULOWVGIBNVQF-UHFFFAOYSA-N 306.312 2.998 0 40 DFAB Cn1ccnc1SCCNC(=O)Nc1cccc(Cl)c1 58297571 WRVBQSNBWUKHDN-UHFFFAOYSA-N 310.810 2.987 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)nc1 48235073 MDESZFOQVIBKPK-UHFFFAOYSA-N 313.279 2.977 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)[C@@H]1CCCO1 58341676 AJRXBKMZSBYOQQ-AWEZNQCLSA-N 316.382 2.958 0 40 DFAB Cc1cccn2cc(CSc3ncnc4c3cnn4C)nc12 11494738 DWWHICNQCMGYJX-UHFFFAOYSA-N 310.386 2.612 0 40 DFAB Cc1cccc(OC(=O)CCn2c(=O)n(C)c3ccccc32)c1 29082652 BUXRNYMHDQLDFO-UHFFFAOYSA-N 310.353 2.644 0 40 DFAB COc1ncccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 45933229 CGAXNZXFJVJITG-UHFFFAOYSA-N 300.314 2.763 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1 12973556 GRUFLIGRKXFLNM-UHFFFAOYSA-N 321.380 2.514 0 40 DFAB Cc1oc2nc(CN[C@@H]3CC(C)(C)OC3(C)C)nc(N)c2c1C 119686292 ITKWZWFUOMHGJZ-LLVKDONJSA-N 318.421 2.858 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 9576611 SPYWNVALFZYMJA-NSHDSACASA-N 323.801 2.916 0 40 DFAB COc1ccccc1CN(CCO)C(=O)c1ccc(C)c(F)c1 63780108 IKTORWQHUQFXPJ-UHFFFAOYSA-N 317.360 2.777 0 40 DFAB Cc1ccsc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 5170820 FZSKIFPUAUNUFY-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 9534761 URRDSLMFRDQRBK-SNVBAGLBSA-N 311.407 2.729 0 40 DFAB C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 14181336 AREMQDNGBDCQAO-CYBMUJFWSA-N 317.410 2.722 0 40 DFAB OCc1ccccc1CNCc1cnc(-c2ccccc2)nc1 67247555 ACJFHTJOXRSXQG-UHFFFAOYSA-N 305.381 2.926 0 40 DFAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCC[C@@H]1CCCCO1 96004238 GSJDHKBEDRPGKA-HFTRVMKXSA-N 305.418 2.617 0 40 DFAB COC(=O)C1CCN([C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1 15412985 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69535934 HCRBCCQYWGKLBV-UHFFFAOYSA-N 320.352 2.902 0 40 DFAB Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccc(F)cc21 69666349 OGXKRCFYGKDUAQ-UHFFFAOYSA-N 315.323 2.824 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1cccc(Cl)c1Cl 116937254 VIOFDMXVSTUILO-UHFFFAOYSA-N 318.185 2.966 0 40 DFAB O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccc2c(c1)OCCCO2 71921090 UZXLHASHCHTMOO-GXTWGEPZSA-N 320.389 2.521 0 40 DFAB Cc1cc(C)n(C2CN(Cc3nc(-c4cccs4)no3)C2)n1 69737460 DAKZSDUYXARMHM-UHFFFAOYSA-N 315.402 2.668 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1 69816929 HWOXCXKBDLBZDL-UHFFFAOYSA-N 302.721 2.648 0 40 DFAB O[C@H]1Cc2ccccc2[C@H]1NCc1ccc(-n2ccnc2)cc1 72035672 DTVIGIGNFDKWOK-RBUKOAKNSA-N 305.381 2.620 0 40 DFAB CO[C@@H](C(=O)N(C)C[C@H](O)c1ccc(F)cc1)c1ccccc1 87508099 BCZQCARAIZDFSO-DLBZAZTESA-N 317.360 2.705 0 40 DFAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(C)c(C)o1 72268593 MQGMMQFMMHNLIB-GJZGRUSLSA-N 305.422 2.657 0 40 DFAB O=C(c1cnns1)N1CCCc2cccc(OC(F)F)c21 84445741 MURHDYLNUFSLKJ-UHFFFAOYSA-N 311.313 2.733 0 40 DFAB O=C(OC1CCCCC1)c1ccnc(N2CCC(O)CC2)c1 95405673 DUSJBZCMVSEXGQ-UHFFFAOYSA-N 304.390 2.532 0 40 DFAB COC(=O)[C@@H](C)CN(Cc1nc(C)c2ccccc2n1)C1CC1 95430665 AOPZBHOYAKRKPQ-LBPRGKRZSA-N 313.401 2.712 0 40 DFAB CCc1noc(CC)c1CC(=O)N1CCOc2ccc(F)cc21 88266551 ZANXDQBVYKGSSE-UHFFFAOYSA-N 318.348 2.907 0 40 DFAB CN(c1cccnn1)C1CCN(C(=O)Nc2ccccc2)CC1 95986313 UUDXQXKUDIESEX-UHFFFAOYSA-N 311.389 2.609 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1coc(Br)c1 95947190 RYAOMTSNIFUAMM-LLVKDONJSA-N 324.130 2.598 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cnn(C)c2)C1 89894289 IAQMOAQPFYHTKR-HIFRSBDPSA-N 322.453 2.545 0 40 DFAB CC1(C)CN(C(=O)Nc2nc3ccccc3s2)CC[S@]1=O 89919647 AHXOOGWTLVQUKG-NRFANRHFSA-N 323.443 2.671 0 40 DFAB COC(=O)c1cc(C(F)(F)F)nn1Cc1ccccc1F 408717183 WQCWSSAQCFBXGQ-UHFFFAOYSA-N 302.227 2.876 0 40 DFAB Cc1ccc(-c2csc(NC(=O)CSCCO)n2)cc1 409179855 OLUXBGQUJFAHIB-UHFFFAOYSA-N 308.428 2.783 0 40 DFAB CCN(CC)c1ccc(C(=O)O)cc1I 39951768 KBWCLDIWAKNPIY-UHFFFAOYSA-N 319.142 2.836 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)c1ccc2nccn2c1 181882852 YHBZBUDQXAXSBH-OAHLLOKOSA-N 323.352 2.589 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1cn(C)nc1-c1ccccc1 180414190 ZTOLSCYQHXNOCL-IIDMSEBBSA-N 312.461 2.905 0 40 DFAB CCOC(=O)c1cnc2c(cnn2CC)c1N1CCCCC1 31949385 UGWGTPWFTXZLRP-UHFFFAOYSA-N 302.378 2.618 0 40 DFAB CC(C)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1cccnc1 134415539 PAERHVDIJBSIJS-HNNXBMFYSA-N 303.406 2.837 0 40 DFAB CC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(-c3ccccn3)nc2)C1=O 575603457 AIPUDVUEHBWMAM-OAHLLOKOSA-N 324.384 2.610 0 40 DFAB Cc1ccc(F)c(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)c1 195551253 GHKDIWOLNYWCQZ-OAHLLOKOSA-N 319.307 2.699 0 40 DFAB CCc1cc(N2CCC(NCc3ccc(C)o3)CC2)ncn1 96449360 SEAISAAYHRQQKT-UHFFFAOYSA-N 300.406 2.699 0 40 DFAB CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C(N)=O 96404744 AIIIQGBOJLERRW-STQMWFEESA-N 308.809 2.604 0 40 DFAB O=C(O)[C@@H](c1ccccc1F)N1CC[C@@H](O)[C@H](C2CCCC2)C1 578551664 CKANNWCNPPNCFD-USXIJHARSA-N 321.392 2.824 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2cc(C)on2)s1 96424512 POLGLRPABRMYKH-LLVKDONJSA-N 322.434 2.942 0 40 DFAB COC(=O)C1(NCc2ncc(Cl)cc2Cl)CCCC1 97232336 WLCQCRRUMGZDKS-UHFFFAOYSA-N 303.189 2.964 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(-c3ccccc3)no1)C2 97198732 ABCRLAFPCWIYIN-CQSZACIVSA-N 322.368 2.591 0 40 DFAB CN(C)C(=O)[C@H](Cc1ccccc1)Nc1nc2ccccc2o1 96485214 NEAZTOQFQGLKSH-HNNXBMFYSA-N 309.369 2.939 0 40 DFAB CCOc1cc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)ccc1OC 95534449 AIOMJHLKXGVGDD-CYBMUJFWSA-N 304.394 2.558 0 40 DFAB CCN(C)[C@H]1COC2(CCN(Cc3csc(C)n3)CC2)C1 96220796 NWMSHBOZLMHJEX-OAHLLOKOSA-N 309.479 2.527 0 40 DFAB Cc1ncccc1C(=O)NCCNc1ccc2ccccc2n1 96436738 VRVNLQLMNRZAHC-UHFFFAOYSA-N 306.369 2.780 0 40 DFAB COc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 96472953 IWCYTJCZGAPVOO-WFASDCNBSA-N 311.809 2.558 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1 96105807 NSXWUAINWVYNTK-MRXNPFEDSA-N 305.418 2.713 0 40 DFAB CO[C@](C)(CNC(=O)c1cc(C2CC2)on1)c1ccccc1F 96123525 XWODBWYSZGVKDQ-QGZVFWFLSA-N 318.348 2.983 0 40 DFAB Cn1cc(CC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cn1 252492727 MULFZXONFJAMRO-QZTJIDSGSA-N 307.397 2.810 0 40 DFAB O=C1c2ccccc2CCN1C1CCN(Cc2cccnc2)CC1 257314098 UVHIVLRFGQIHPT-UHFFFAOYSA-N 321.424 2.745 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3ccccc3F)C2)n1 257326153 WWAZFCMTUNMEQP-AWEZNQCLSA-N 301.365 2.806 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 257273707 NHUWZLCBKARNAL-CQSZACIVSA-N 301.365 2.806 0 40 DFAB COCc1c(C(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)noc1C 257335582 YKWYBTXOWDIRKL-MRRJBJDNSA-N 322.405 2.549 0 40 DFAB COc1ccc([C@H](NC(=O)[C@@H](C)c2cccs2)C(=O)O)cc1 262052009 AELJSANSPWAUCK-HZMBPMFUSA-N 319.382 2.802 0 40 DFAB O=C(c1cnc2ccc(F)cc2c1)N1CCC2(CCO2)CC1 374470835 GZSLOGXIBKIJHR-UHFFFAOYSA-N 300.333 2.769 0 40 DFAB COCC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1 585095111 GGBMFPBGOYDJOQ-HNNXBMFYSA-N 318.442 2.787 0 40 DFAB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)C(C)C 55849232 QOTZCQYKAVOMRQ-ZDUSSCGKSA-N 317.433 2.916 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1scnc1Cl 53798548 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Cc1cnc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH]1 1848352212 DXPALTSSWOAITR-LLVKDONJSA-N 312.348 2.968 0 40 DFAB O[C@]1(COc2ccc(F)cc2)CCCN(Cc2nccs2)C1 2037905607 OWOKYGCYGXNTQH-MRXNPFEDSA-N 322.405 2.688 0 40 DFAB O=C1Nc2ccc(Br)cc2[C@@]1(O)c1ccc(F)cc1 4722647 XMUUKICISYQMLI-AWEZNQCLSA-N 322.133 2.776 0 40 DFAB CC(=O)N[C@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl 27025815 UXYIKMWQEBMLDU-SNVBAGLBSA-N 310.564 2.710 0 40 DFAB COc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 95793 CWWKHVSRXONASX-UHFFFAOYSA-N 301.342 2.864 0 40 DFAB O=C(CCc1ccc(F)c(F)c1)Nc1nnc(C(F)(F)F)[nH]1 40511990 AMWCEARAEBNAHR-UHFFFAOYSA-N 320.221 2.673 0 40 DFAB O=c1c2oc3ccccc3c2[nH]c(=S)n1C[C@H]1CCCO1 101271834 KEQVZIVGCYGDIA-SECBINFHSA-N 302.355 2.984 0 40 DFAB Fc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1 20661935 GWYDHUAJCBZGIN-UHFFFAOYSA-N 320.331 2.962 0 40 DFAB CC(C)c1noc(-c2ccc(OCC(=O)NC3CC3)cc2)n1 32579096 GXIGHFRLSSXMMI-UHFFFAOYSA-N 301.346 2.517 0 40 DFAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2c(cc1O)OCO2 52446331 MBGCXZHGRNFAFH-UHFFFAOYSA-N 323.308 2.763 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1c(F)cccc1F 102477 RFTPZUHEHFVVHP-UHFFFAOYSA-N 320.324 2.738 0 40 DFAB C[C@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 46256515 JXOHMJUIEMLWGV-JTQLQIEISA-N 308.428 2.661 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccsc3)cn2)n1 46310619 CUOKMSBBJXPZNH-UHFFFAOYSA-N 312.398 2.876 0 40 DFAB CNC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 415011 HMOQFTQFLVTOAH-UHFFFAOYSA-N 307.444 2.717 0 40 DFAB COc1ccc(-c2n[nH]c(SCc3cnc(C)cn3)n2)cc1 84258520 DGXNWXWTXQBKBO-UHFFFAOYSA-N 313.386 2.871 0 40 DFAB Cc1cc(C)cc(C[C@H](C)NC(=O)CCn2ccccc2=O)c1 76041287 CJVTYEIWCVEHGO-INIZCTEOSA-N 312.413 2.603 0 40 DFAB c1ccc2c(c1)CC[C@@H](CNc1cc(-n3ccnc3)ncn1)N2 77217165 RLURMWYICVUCHJ-AWEZNQCLSA-N 306.373 2.501 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)NC(=O)NC1CCCCC1 32942927 IMVQXCOOIGNEHG-LLVKDONJSA-N 308.353 2.752 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)no1 78710872 XWHOMBRCCWWYDI-CABCVRRESA-N 303.337 2.820 0 40 DFAB CO[C@@H](C)C(=O)Nc1cc(Cl)cc(Br)c1O 79014421 GXBVJNHQCXFWSK-YFKPBYRVSA-N 308.559 2.782 0 40 DFAB CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21 79492822 NQHIXUOVBXDAOY-UHFFFAOYSA-N 312.217 2.523 0 40 DFAB COc1cccc(C(=O)NC(=S)Nc2cccnc2Cl)c1 2430195 FWKHMTYNFGLLDV-UHFFFAOYSA-N 321.789 2.870 0 40 DFAB Cc1cc(C)n(C(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)n1 2777979 MYASCBJKHOCYPF-SNVBAGLBSA-N 300.284 2.925 0 40 DFAB O=C(Nn1c(C2CC2)nc2ccccc2c1=O)c1ccc(F)cc1 4891280 XACXGBAILPHXBU-UHFFFAOYSA-N 323.327 2.797 0 40 DFAB CC(C)(C)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087601 IYWQTZXVWLJOJD-UHFFFAOYSA-N 304.415 2.952 0 40 DFAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c1 6680270 FGMHIGXBDLPWIW-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCc1ccc(-n2cccn2)nc1 97159284 PKCDQWAKJBNUPR-UHFFFAOYSA-N 310.405 2.578 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 798787 WANHXZXHXGGADO-LLVKDONJSA-N 318.354 2.884 0 40 DFAB Cc1cccc(CN2C[C@H]3CC[C@H]2[C@H]3OCc2ccccn2)n1 107265929 KNPWUMYMHBDIEC-MNEFBYGVSA-N 309.413 2.965 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1 42301779 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C[C@@]1(CNC(=O)NCCC[C@@H]2CCCCO2)CCCS1 97138029 QNTHFKWSDJTUOB-ZFWWWQNUSA-N 300.468 2.921 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2F)CC1 108981024 JTHMKSRQTCSDMW-SOUVJXGZSA-N 302.393 2.911 0 40 DFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)C)cc1 58139379 XNFMZIGDXOBCFL-OAHLLOKOSA-N 304.390 2.671 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 100395155 ANPKQPKERIPPSY-CNGUFQHNSA-N 322.408 2.726 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)o1 58268061 SUYCSGJMEZMMBE-LFAOLKIESA-N 301.346 2.615 0 40 DFAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc[n+]([O-])c1 3307720 XGDALIUFWWFDGU-UHFFFAOYSA-N 300.358 2.878 0 40 DFAB COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cc(C)nn1C 44971123 HUNGNTKHVDESQE-SNVBAGLBSA-N 306.341 2.759 0 40 DFAB CCN1CCC(CNC(=O)Cc2cn(C)c3ccccc23)CC1 58313558 OTMRRKYMSOUABR-UHFFFAOYSA-N 313.445 2.569 0 40 DFAB COCC(=O)/N=c1/sccn1Cc1cccc2ccccc12 58405706 MMNGYSNZRALNFK-ISLYRVAYSA-N 312.394 2.825 0 40 DFAB O=C(Nc1cccc(I)c1)c1ccccn1 3328217 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COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c(OC)c1 13938113 CYFILADIZCCOQO-GFCCVEGCSA-N 321.398 2.743 0 40 DFAB Cc1csc(=O)n1CC(=O)Nc1ccc(Cl)cc1F 5269237 FKGDIKZNKYUZTB-UHFFFAOYSA-N 300.742 2.649 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC=CCC1 14183939 BUDMZKMMTFJWJF-CYBMUJFWSA-N 322.430 2.540 0 40 DFAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N(C)Cc1ccncc1 65605154 SDJHJGXJQPFXAA-AWEZNQCLSA-N 317.433 2.515 0 40 DFAB Cc1noc(C)c1CN1CCC(NC(=O)CC2CCCC2)CC1 66877723 XZGNLZFKQRVMBY-UHFFFAOYSA-N 319.449 2.952 0 40 DFAB CCOc1ccc(C(=O)NCCOc2ccccc2OC)cc1 15381252 HBWWDQVMSHOKNT-UHFFFAOYSA-N 315.369 2.903 0 40 DFAB Cc1cc(C)nc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)n1 27975497 PFWXQSWEUYJJJO-ZDUSSCGKSA-N 311.385 2.988 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 7221201 HEQMIGGBZMCDJP-NSHDSACASA-N 314.341 2.863 0 40 DFAB COCc1cccc(C(=O)NCCN2Cc3ccccc3C2)c1 68255712 IVXDJWKBWPTCOK-UHFFFAOYSA-N 310.397 2.579 0 40 DFAB COc1ccccc1/C=C1/SC(=O)N(CN2CCCC2)C1=O 27472775 SUXYCRDBGKHDCP-GXDHUFHOSA-N 318.398 2.785 0 40 DFAB CCc1nc(C(=O)NCCN(CC)c2ccccc2C)co1 96011807 BFXFDNJWRDZTCU-UHFFFAOYSA-N 301.390 2.802 0 40 DFAB OCCN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 19691045 CBJCEJFWMIJGMC-UHFFFAOYSA-N 323.849 2.578 0 40 DFAB COc1cccc(CN2CC[C@H](CN3CCCC3)C2)c1OC 93597646 DMUHFOBMZWGKMP-OAHLLOKOSA-N 304.434 2.622 0 40 DFAB Cc1cnn(CCNC[C@H](O)c2ccccc2C(F)(F)F)c1 70006386 QZCCPAQVZCOPLM-AWEZNQCLSA-N 313.323 2.534 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCN1CCC(C)CC1 69371076 XHJJIUAWOGWANP-IRXDYDNUSA-N 316.445 2.647 0 40 DFAB CC(=O)c1cccc(OCC(=O)N(C)Cc2ccsc2)c1 69460447 MAEUVHKMOXQZOB-UHFFFAOYSA-N 303.383 2.988 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1csnn1 97233716 JWPPCHXCFYCIGP-GFCCVEGCSA-N 305.407 2.636 0 40 DFAB COCc1ccccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 96444434 JAQOBNTWXKALTE-UHFFFAOYSA-N 313.332 2.778 0 40 DFAB C[C@@H](c1cccc(O)c1)N(C)CC(=O)NCc1ccccc1F 71892961 NXNWGCHDTNYZSY-ZDUSSCGKSA-N 316.376 2.841 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H]1Cn1cccn1 71866224 FWEBMFXLQVJMCT-SFHVURJKSA-N 309.413 2.606 0 40 DFAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 20123826 LQXOWYGAMVNUNQ-CYBMUJFWSA-N 324.852 2.703 0 40 DFAB Cc1noc(C)c1[C@@H](C)N[C@H](C)C(=O)NCc1ccccc1F 95397389 IKIQBMSQIDGKNP-ZYHUDNBSSA-N 319.380 2.786 0 40 DFAB CC(C)Oc1ncccc1CN[C@H]1CCN(CC(F)(F)F)C1 84621958 OACYQTFXQYHOOY-ZDUSSCGKSA-N 317.355 2.595 0 40 DFAB C[C@@H](NC(=O)CCCn1cccc1)c1nc(C(C)(C)C)no1 84667593 IGUAHNJPNCTZGG-GFCCVEGCSA-N 304.394 2.826 0 40 DFAB CSc1cc(NC(=O)Cc2cn3ccsc3n2)ccn1 95452262 SSPXSVYXUXSRLM-UHFFFAOYSA-N 304.400 2.694 0 40 DFAB CCOC[C@@H]1CCN(C(=O)NCc2cc(C)cc(OC)c2)C1 95434950 JSMPCWBVGWGDGJ-CQSZACIVSA-N 306.406 2.572 0 40 DFAB CC(=O)c1cccc(COC(=O)c2cccc(-n3cccn3)n2)c1 95438207 RJMWJRSGQWLINS-UHFFFAOYSA-N 321.336 2.827 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)Nc2ccncc2O)cc1 95406915 GQQJKHYTJURJAE-SNVBAGLBSA-N 304.371 2.915 0 40 DFAB Cc1cscc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 95439888 HCSDFYVIWPJLKX-LBPRGKRZSA-N 319.382 2.764 0 40 DFAB C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc2S1 88224046 NWKPEVDXQSZONR-NSHDSACASA-N 300.383 2.526 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CC[S@](=O)C(C)(C)C3)cc2c1C 88293734 IXQVAZVFKMCZHR-JOCHJYFZSA-N 318.442 2.768 0 40 DFAB CC(C)(C)c1nc(NCc2ccc(CS(C)(=O)=O)cc2)no1 95939865 SVUVYIJOARNKNE-UHFFFAOYSA-N 323.418 2.524 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccncc2F)cc1Cl 95994058 XSHRNRIEXLSCBY-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)[nH]1 75118441 TUFBOXHIYTVCPP-QMTHXVAHSA-N 300.358 2.672 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CCCC2)C1 89783202 IZJSOJSVEJALPG-YESZJQIVSA-N 302.393 2.626 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H]2CCSc3ccc(F)cc32)C1 89941614 WZVOFJFLRUSYHQ-TZMCWYRMSA-N 308.422 2.963 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1c(F)cccc1F 25670335 IVRLHCAYNKLHSY-AWEZNQCLSA-N 324.327 2.840 0 40 DFAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccsc1 56906286 KUUDNCYIHVAULD-CYBMUJFWSA-N 311.403 2.829 0 40 DFAB COc1ccc(-c2noc(=O)n2Cc2ccccc2)cc1OC 60364610 NMJCOHHVUNZZCC-UHFFFAOYSA-N 312.325 2.569 0 40 DFAB O=C1CCSC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N1 75171237 VKDJMMKKYJWREI-JTQLQIEISA-N 319.213 2.554 0 40 DFAB COC(=O)/C=C1/Sc2ccc(C(F)(F)F)cc2NC1=O 31949700 ZUZCOSNGHOZIBO-WEVVVXLNSA-N 303.261 2.807 0 40 DFAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 36773864 RAHLQXROOBYZNS-SFHVURJKSA-N 322.408 2.660 0 40 DFAB Cc1cc(Cl)cc(Br)c1OCc1nnc(N)o1 216907162 MQJATXARGPFLDN-UHFFFAOYSA-N 318.558 2.955 0 40 DFAB C[C@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)OC(C)(C)C 39952217 YJDNTASJMIPVSA-LBPRGKRZSA-N 320.389 2.830 0 40 DFAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 78556555 BXIBCFQYVPNHQH-GDLCADMTSA-N 314.341 2.557 0 40 DFAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)O)ccc1C 37022387 BGTRASPTXAHTTP-ZDUSSCGKSA-N 311.403 2.646 0 40 DFAB O=C(NCC1CCN(c2cnccn2)CC1)Nc1cccs1 70930694 QKUNLYAYQMJGPZ-UHFFFAOYSA-N 317.418 2.576 0 40 DFAB Cc1cc(S(=O)(=O)NCCc2cscn2)sc1Cl 188050012 RVIHKJZLFWSSOO-UHFFFAOYSA-N 322.864 2.687 0 40 DFAB C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1csnn1 562729186 HSNYZMWFFGZQDT-MNOVXSKESA-N 302.403 2.756 0 40 DFAB Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCC[C@H](C)C1 226852464 GUGBVCDOJOFNJS-AWEZNQCLSA-N 313.401 2.818 0 40 DFAB CSC[C@@](C)(O)CNC(=O)Nc1cccc(C(F)(F)F)c1 75157372 QAPHJOFHBXHKDC-LBPRGKRZSA-N 322.352 2.941 0 40 DFAB Cc1ccc(NC(=O)NCc2nccc(N(C)C)n2)c(Cl)c1 224194420 RVPGUYXOOUZNIK-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB O=C(CO[C@H]1CCOC1)N(CC(F)F)c1cccc(Cl)c1 84807016 PQIDJEWXTPBGCW-LBPRGKRZSA-N 319.735 2.744 0 40 DFAB CS(=O)(=O)NCc1cccc(-c2ccc(OC3CC3)cc2)c1 527588652 MOVUPDQCBGLULL-UHFFFAOYSA-N 317.410 2.944 0 40 DFAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NC2CC2)n1 226004289 IYVIWNCZOVFPBO-GHMZBOCLSA-N 319.478 2.716 0 40 DFAB C[C@H](CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1ccccc1 195578302 NOGZSYHVJGUPQZ-PVAVHDDUSA-N 313.397 2.933 0 40 DFAB C[C@@H](Nc1ccc2c(c1)C(=O)NC2)c1nc2ccccc2n1C 195552380 ZVLHSHYHHMNVLV-LLVKDONJSA-N 306.369 2.990 0 40 DFAB Cc1cccn2cc(CCNC(=O)CCc3ccc(O)cc3)nc12 195563054 SIPLSMBXPJNQMP-UHFFFAOYSA-N 323.396 2.640 0 40 DFAB Cc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)cc1C 224196811 WDUVJPFFDCHLDB-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB CC[C@H](N[C@H](CC)c1ccc(F)cc1)C(=O)N1CCOCC1 96479166 QHBQOKDTIMLPLF-CVEARBPZSA-N 308.397 2.504 0 40 DFAB Cc1ccc([C@@H](O)CNC2CCN(c3nccs3)CC2)cc1 90469198 HHWVFRRCLVPTDV-INIZCTEOSA-N 317.458 2.744 0 40 DFAB Cc1ccc(F)cc1CNC1CCC(N2C(=O)CCC2=O)CC1 97232499 LLBIBCQQIUFDEI-UHFFFAOYSA-N 318.392 2.684 0 40 DFAB OCc1cc(Br)cc(I)c1 94568719 LSHKEWNEFDSMTN-UHFFFAOYSA-N 312.932 2.546 0 40 DFAB C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1nnc2ccccn12 96453388 VAJINHNQAQTBRX-JTQLQIEISA-N 323.356 2.703 0 40 DFAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc2c1OCO2 95618981 XCIAVZXGJWVECJ-NSHDSACASA-N 321.336 2.812 0 40 DFAB CC[C@H](N[C@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cnn(C)c1 97228435 JDJIUEAZCARCBV-BPUTZDHNSA-N 306.454 2.544 0 40 DFAB O=C(CC1CCOCC1)NCCc1nc2ccccc2s1 96444861 HXBHLURFNTTXNN-UHFFFAOYSA-N 304.415 2.772 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccnc(Cl)n2)C1 95087078 CIUXZUTZWHMGLL-JTQLQIEISA-N 312.801 2.624 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 245312415 JCCXXQPYVVCUHA-KFWWJZLASA-N 318.417 2.609 0 40 DFAB C[C@@H]1C[C@H](OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC(C)(C)C1 247875507 NXZJLWYLJHLXEE-HHARLNAUSA-N 313.482 2.688 0 40 DFAB CN1CCCN(CCCN[C@H]2CC[C@H](c3ccccc3)C2)CC1 253370586 STQRGHGRXRYHLJ-PMACEKPBSA-N 315.505 2.940 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257225292 FFQLFERZKAPUHX-LBPRGKRZSA-N 301.415 2.898 0 40 DFAB O=C(Cc1ccccn1)N1CCC(c2cccc3nccn23)CC1 257286841 PNHMRWZKLKUHLX-UHFFFAOYSA-N 320.396 2.678 0 40 DFAB COc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCC2)cn1 43693714 MGCVDMLUBOVXSD-UHFFFAOYSA-N 314.360 2.967 0 40 DFAB c1cnc(Nc2cc([C@@H]3CCCN3Cc3c[nH]cn3)ccn2)nc1 257248868 JFOPXKJUIFCTBV-HNNXBMFYSA-N 321.388 2.675 0 40 DFAB C[C@@H]1CC(C)(C)[C@H](CNC(=O)C2(C)CC2)[C@H]1NC(=O)C1(C)CC1 252486300 HZUWVFRSYHUMEA-MCIONIFRSA-N 320.477 2.870 0 40 DFAB Cc1nc(C)c(CNC(=O)Nc2ccc3c(c2)OCO3)s1 86071744 VFCQDRRKJALSJX-UHFFFAOYSA-N 305.359 2.810 0 40 DFAB O=S(=O)(NCCc1ccoc1)c1ccc2c(c1)CCCC2 90607420 LZZBUKNRFSELGA-UHFFFAOYSA-N 305.399 2.679 0 40 DFAB Fc1cc(Br)cc2c1CN(c1cnccn1)CC2 390833597 JXPPTEQMALCOSJ-UHFFFAOYSA-N 308.154 2.941 0 40 DFAB CN1CC[C@@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 585101747 DLZWSMJZCLERTE-QGZVFWFLSA-N 322.836 2.806 0 40 DFAB O=C(NC[C@H]1CCCO1)N[C@H]1CCCOc2ccc(F)cc21 54540277 OGKPFBLDDSGTII-OCCSQVGLSA-N 308.353 2.518 0 40 DFAB COc1cc2c(cc1OC)CN(c1nc(C3CC3)ns1)CC2 80768514 MSCIOGCYGBNREJ-UHFFFAOYSA-N 317.414 2.995 0 40 DFAB CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352774 CTLDAWLDXJVBKH-UHFFFAOYSA-N 315.734 2.670 0 40 DFAB Cc1ccnn1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12221595 KGRGQXHOICDUJR-MRXNPFEDSA-N 323.400 2.822 0 40 DFAB COc1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1OC 15652406 FAMYMMVKOXQHTC-UHFFFAOYSA-N 317.360 2.744 0 40 DFAB O=C1CN(C(=S)Nc2ccc(F)cc2)c2ccccc2N1 16273065 QLUYHOYMJOGOAR-UHFFFAOYSA-N 301.346 2.981 0 40 DFAB CC[C@H](N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F 161513606 IULXTXJDWHIYCP-CABZTGNLSA-N 305.802 2.707 0 40 DFAB COc1cc(OC)cc(OC(=O)c2cc(OC)cc(OC)c2)c1 3547746 AXXUUKLZFFXRRK-UHFFFAOYSA-N 318.325 2.940 0 40 DFAB COc1ccc(Cl)c2sc(=NCc3ncccn3)[nH]c12 1889186374 WZZRRRPRLGPARJ-UHFFFAOYSA-N 306.778 2.782 0 40 DFAB CCOc1ncccc1CNC(=O)[C@H](C)OCc1ccccc1 30836584 LXFLYUYAETZGQL-AWEZNQCLSA-N 314.385 2.702 0 40 DFAB Clc1snnc1CN1CCN(Cc2ccccc2)CC1 35163435 OWVDKXMWZGLTHL-UHFFFAOYSA-N 308.838 2.509 0 40 DFAB Cc1nc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cs1 38518105 WDYGTVVFTSCGAP-UHFFFAOYSA-N 320.418 2.978 0 40 DFAB CCc1ccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1 16890171 CWLAWIWPZAMIIX-OAHLLOKOSA-N 307.415 2.549 0 40 DFAB COc1ccc(CCC(=O)Nc2cnc3cc(C)nn3c2)cc1 206737367 VUKJXDVZHIVJFD-UHFFFAOYSA-N 310.357 2.618 0 40 DFAB Cc1cc(NC(=O)CSc2ccc(-c3ccco3)nn2)on1 36652419 NOVQARJGOIPGMQ-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB O=C(NC[C@@H](c1ccco1)n1cccn1)Nc1cccs1 575613670 JUSBZVMOXUFVMH-NSHDSACASA-N 302.359 2.949 0 40 DFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccoc1 575616914 ODTQSFJWRXOLTC-UHFFFAOYSA-N 311.288 2.886 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@H](Oc2cnsn2)C1 618256983 NPFJUECLTMVRTK-NSHDSACASA-N 315.354 2.578 0 40 DFAB O=C(NCC[C@H](O)c1ccccc1)NCc1ccc(F)cc1 85436539 AEHZKXFKXQSTRO-INIZCTEOSA-N 302.349 2.749 0 40 DFAB C[C@@H](CNC(=O)Nc1nccs1)N1CCc2ccccc2C1 40096104 PFICHTBFDUIZLS-LBPRGKRZSA-N 316.430 2.711 0 40 DFAB CCOc1ccc(OCC(=O)NC[C@H]2Cc3ccccc32)cc1 40150309 IHCJKNAHFNBYAW-OAHLLOKOSA-N 311.381 2.920 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccccn1 40494428 QFFUGDZKWOIMNZ-VIFPVBQESA-N 314.769 2.914 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 31490069 CXGDRQWRJUSSAR-JOSSNMMVSA-N 308.462 2.722 0 40 DFAB O=C(O)CCCNc1ccc(I)cc1 20477984 MJEAAKGSIAGCIZ-UHFFFAOYSA-N 305.115 2.568 0 40 DFAB in-vitro CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)NC1=S 202732 FPVUEQZMLQGCRR-XFXZXTDPSA-N 320.414 2.562 0 40 DFAB CC(C)CNC(=O)CCCCCn1cnc2ccccc2c1=O 32104864 TWLWIZATAUCIMI-UHFFFAOYSA-N 315.417 2.729 0 40 DFAB Cn1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)cc1=O 52035467 FNSORAAPOFVASO-KRWDZBQOSA-N 300.377 2.732 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102176274 XHSWNAWNVXTEEN-NOLJZWGESA-N 313.353 2.583 0 40 DFAB CCc1nc(SCC(N)=O)c2c3c(sc2n1)C[C@H](C)CC3 412920 DXJTVSSBQMFRAJ-MRVPVSSYSA-N 321.471 2.956 0 40 DFAB O=C(CSc1ncn[nH]1)N(Cc1ccco1)c1ccccc1 69375287 DFMWDRGPYQCMRH-UHFFFAOYSA-N 314.370 2.723 0 40 DFAB Cc1ccc(CSCC(=O)NCCc2ccccn2)cc1 41295663 AGXYDKWHGSTLGE-UHFFFAOYSA-N 300.427 2.982 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2ccc(COC)o2)C12CCCC2 76068111 TUXHHHRGJNGCIT-GJZGRUSLSA-N 307.390 2.894 0 40 DFAB CCn1c(CNC(=O)[C@H]2CCCc3ccccc32)n[nH]c1=S 78496509 VBNNOCQWKBILIV-ZDUSSCGKSA-N 316.430 2.697 0 40 DFAB CCC(CC)[C@@H](O)CNC(=O)NCc1cc(F)ccc1F 78645562 SXYFRAKTVKFBSB-AWEZNQCLSA-N 300.349 2.561 0 40 DFAB Cc1nnc(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)[nH]1 6588216 ONEOTZSOFLQASE-SDQBBNPISA-N 300.343 2.812 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6725384 WSYPDCZGUZHFBG-SOCCEZPTSA-N 317.385 2.619 0 40 DFAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)OCN1C(=O)c2ccccc2C1=O 102387175 JWYKJTODDJOYSZ-UPJWGTAASA-N 313.353 2.610 0 40 DFAB CC(C)c1ccc(OCCNC(=O)[C@@H](C)n2ccnc2)cc1 53577248 MKRKAMHPPHRMMF-CQSZACIVSA-N 301.390 2.763 0 40 DFAB Cc1nc(NS(=O)(=O)c2cccs2)nc2c1CCCC2 97114370 GFKSRGVVGRZNDC-UHFFFAOYSA-N 309.416 2.526 0 40 DFAB O=c1nc2scnn2c2nc(=S)sc(-c3ccco3)c12 23424293 FZMYRVASZWEOFA-UHFFFAOYSA-N 320.380 2.750 0 40 DFAB O=C(NCc1ccccc1)NCc1ccccc1Cn1cccn1 25103491 CYOOJGKEOUEJMX-UHFFFAOYSA-N 320.396 2.931 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N 3210862 PLGDNIVXAJGHPZ-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB CN(C)/C=C1/C(=O)N(c2ccccc2F)C(=O)c2ccccc21 3200245 QAIHFTCNUQCRRE-SDNWHVSQSA-N 310.328 2.915 0 40 DFAB NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O 3267974 MOYDKBWTSRYHNF-POHAHGRESA-N 317.197 2.988 0 40 DFAB CC(C)N(C)CCNC(=O)c1cccnc1SC(F)(F)F 69416387 GURBREPPXAEKRU-UHFFFAOYSA-N 321.368 2.764 0 40 DFAB CCS(=O)(=O)NCc1cccc(CN2CCCCCC2)c1 57925316 JUGLPBXIMQVUNB-UHFFFAOYSA-N 310.463 2.502 0 40 DFAB Cn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1=O 44611860 HMWNIWYUVPPRIG-UHFFFAOYSA-N 319.364 2.623 0 40 DFAB O=C(NCc1cc[nH]n1)Nc1nnc(C2CCCCC2)s1 48276223 UKHPFFPMEKKJTA-UHFFFAOYSA-N 306.395 2.631 0 40 DFAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 44979483 WWUPMZJGWCQSNR-NVXWUHKLSA-N 316.445 2.915 0 40 DFAB O=c1[nH]c(CSC[C@@H](O)c2ccccc2)nc2ccccc12 44966178 CUDNVJNUHSMDJG-OAHLLOKOSA-N 312.394 2.890 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N3C[C@H](C)O[C@H](C)C3)cnc21 44951344 JYZCRXUEGDRQPS-TXEJJXNPSA-N 317.393 2.653 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2cccnc2)c1 45112399 MHYQUNCCBNBBFK-GFCCVEGCSA-N 312.373 2.600 0 40 DFAB CCN(C[C@@H](O)c1cccc(O)c1)C(=S)NC1CCCCC1 3347565 ZUJARTVVEJNPSM-MRXNPFEDSA-N 322.474 2.955 0 40 DFAB O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1 28210722 JELBDGVMYBNAME-UHFFFAOYSA-N 316.351 2.923 0 40 DFAB COc1cc(C)c(NC(=O)Cc2c(C)nn(C)c2C)cc1OC 11211824 AGZISBXHEOKAFU-UHFFFAOYSA-N 317.389 2.544 0 40 DFAB CN(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)cn1 28844838 OSWGARLRLJDHSB-UHFFFAOYSA-N 303.793 2.774 0 40 DFAB CC[C@H](C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 45773338 RHFGAOUUCYXHMS-LBPRGKRZSA-N 301.390 2.539 0 40 DFAB CCc1nnsc1C(=O)NC[C@@H]1CCCc2ccccc21 29109192 MUMUJPLEZUJBJG-LBPRGKRZSA-N 301.415 2.950 0 40 DFAB Nc1cc(N)nc(SCc2ncc(-c3ccc(F)cc3)o2)n1 11672910 SDQBUEKKKWHTOL-UHFFFAOYSA-N 317.349 2.727 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)cc1 46056055 RDWZJPBZAJIUBJ-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(O)[C@@H]1CCCN(Cc2cc(Br)ccc2F)C1 3749710 AWOTYPRXLWRWMC-SECBINFHSA-N 316.170 2.885 0 40 DFAB CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 8734889 XWSVIMGXZZUJOP-NSHDSACASA-N 317.311 2.727 0 40 DFAB COc1ccc(NC(=O)COc2cccc(C)c2C)cc1N 20344421 IIUVPAJMFWOFEZ-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cc1cc(Cn2c(-c3ccccn3)noc2=O)c2ccccc2n1 69703624 VNUQQDOGNDSWJM-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB COc1cccc(CN(C)C[C@H](O)COCc2cccs2)c1 14200859 TUUGOFRCOVOLBN-HNNXBMFYSA-N 321.442 2.766 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NC1CC1 4779043 LGTYWUUBRRKKFZ-FPYGCLRLSA-N 313.275 2.540 0 40 DFAB O=C(C[S@@](=O)Cc1cccc(F)c1)Nc1cccc(F)c1 66301960 UWNPXBBWSPHDAI-OAQYLSRUSA-N 309.337 2.852 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN[C@H](C(N)=O)c2ccc(F)cc2)o1 66939853 HIJLVULDDBZXKJ-OOVXXXAESA-N 302.349 2.858 0 40 DFAB CCCCn1nnc(NCc2ccc(Br)cc2)n1 15356960 PRUGTPBITSXHLV-UHFFFAOYSA-N 310.199 2.848 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1C 7234947 DKMJUUWIWRWZKD-NXEZZACHSA-N 322.409 2.621 0 40 DFAB Cc1cccc2nc(CSc3nnc(C4CC4)o3)cc(=O)n12 7288020 ZRBQAWFJVDGNJQ-UHFFFAOYSA-N 314.370 2.556 0 40 DFAB CC(=O)Nc1nc(COC(=O)CCc2ccsc2)cs1 24867377 QSTGKDVJAPGMCL-UHFFFAOYSA-N 310.400 2.839 0 40 DFAB CN(CCN1CCCC1=O)Cc1cn(C)nc1C1CCCCC1 97108447 ZELZXYMPRQGMEE-UHFFFAOYSA-N 318.465 2.522 0 40 DFAB CCCOc1ncccc1CNc1ncc(C(N)=O)cc1Cl 71830250 QTUNOUKDPPOGDG-UHFFFAOYSA-N 320.780 2.630 0 40 DFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3 29158040 FJQSUPDRIVJSSO-UHFFFAOYSA-N 312.369 2.639 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)c2ccccc21 71818159 WPYLSHWBHAHPDJ-LLVKDONJSA-N 317.366 2.697 0 40 DFAB C[C@H]1SCCN(Cc2nnnn2C2CC2)[C@H]1c1ccccc1 71911184 ROWPSYLABAHKFJ-MLGOLLRUSA-N 315.446 2.687 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9613653 BZBMRIFKMBBGOO-WCQYABFASA-N 307.825 2.686 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)n1 72282465 PHVVOWXSUQOZFS-NSHDSACASA-N 304.419 2.757 0 40 DFAB COCCOc1c(Cl)cccc1NC(=O)Nc1cn[nH]c1 72274637 AOKVFAAHTUXKQP-UHFFFAOYSA-N 310.741 2.732 0 40 DFAB COc1ccc(CNCc2cccnc2-n2cccn2)cc1OC 95350110 YKNSURBKDKURNI-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB CCCCc1cc(NC(=O)c2ncoc2[C@@H]2CCCO2)[nH]n1 95431430 NQBAMJBHOQAWQV-NSHDSACASA-N 304.350 2.844 0 40 DFAB CC1(C)OC[C@H](COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)O1 95450754 YFCQJKDHIZDUJE-DMDPSCGWSA-N 312.312 2.763 0 40 DFAB COCC[C@@H](C)NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 95418938 KBVPMXRKVCNXJE-GDBMZVCRSA-N 305.422 2.698 0 40 DFAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccco1 95449011 GLOZXWUYQCQVGX-GFCCVEGCSA-N 322.723 2.607 0 40 DFAB CN(OCc1ccccc1)S(=O)(=O)c1cc(F)ccc1F 95465313 GXHRCRGTMOLJCQ-UHFFFAOYSA-N 313.325 2.717 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)c1cnn(C)c1C 95440548 BHOALCVWTDNZJG-UHFFFAOYSA-N 321.808 2.753 0 40 DFAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(C)no2)cc1 95940156 VICLORZUIWGTAY-SNVBAGLBSA-N 302.330 2.587 0 40 DFAB Cc1csc([C@H](NC(=O)N[C@@H]2CCCC[C@@H]2O)C2CC2)n1 74668233 GPTYOPBQHKZFBI-FRRDWIJNSA-N 309.435 2.505 0 40 DFAB CC(=O)NC[C@@H](C)OC(=O)c1cccc(-c2ccccn2)c1C 89537125 RNGNHWGVAQOLFM-GFCCVEGCSA-N 312.369 2.738 0 40 DFAB CCN1CCO[C@@](O)(c2ccc(OC)cc2)[C@@H]1c1ccccc1 31924188 XTLHGYHVKNWIIV-OALUTQOASA-N 313.397 2.934 0 40 DFAB C[C@]1(C(=O)O)CCCN1CC(=O)Nc1cccc2ccccc12 530209797 DJUYCROITSANHV-GOSISDBHSA-N 312.369 2.717 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCc1nc(-c2ccc(F)cc2)n[nH]1 78555158 RJHODYRRNRCXSO-LLVKDONJSA-N 300.337 2.583 0 40 DFAB COCc1nc([C@H]2NC(=O)CN2CCC2CCCCC2)cs1 78760801 CIYOJVNTIVVADY-INIZCTEOSA-N 323.462 2.690 0 40 DFAB COc1cc(-n2cnnc2)ccc1NC(=O)c1cccs1 72229780 YZFJOISEWYEGTR-UHFFFAOYSA-N 300.343 2.590 0 40 DFAB Cn1c(SCCCc2cnoc2)nnc1-c1cccnc1 521394985 LKZULYRVLGETIN-UHFFFAOYSA-N 301.375 2.590 0 40 DFAB Cc1cccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)c1Cl 79817580 FBRILGPJDQMSEI-ZDUSSCGKSA-N 309.797 2.637 0 40 DFAB CC[C@@H](C)NC(=O)c1cc(-n2cnnc2)ccc1Br 35684163 FVULUGHGZKLNTA-SECBINFHSA-N 323.194 2.558 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 71195548 CTVBSPYTXYQDAB-AWEZNQCLSA-N 312.348 2.848 0 40 DFAB CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2cncc(C)c2)C1 225501794 HDSQKRKKNASJDZ-GDBMZVCRSA-N 305.422 2.737 0 40 DFAB COCC1(C(=O)N[C@H](C)c2ccc(OC)cc2OC)CCC1 225809848 JXNNYDWNEBWMSB-GFCCVEGCSA-N 307.390 2.698 0 40 DFAB COCCCNC(=S)Nc1nccc(-c2cccs2)n1 225184787 QOERGJLASUPKQI-UHFFFAOYSA-N 308.432 2.528 0 40 DFAB Cc1nc(CNc2cccc(Oc3ccccc3C(N)=O)c2)no1 86212976 AYMHBTXFVGYDCH-UHFFFAOYSA-N 324.340 2.881 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 190711784 ZJGBKOYYZBKORO-HZPDHXFCSA-N 320.433 2.709 0 40 DFAB Cc1c2nc(-c3ccco3)nc(NC[C@H]3CCCO3)c2nn1C 41070292 RBDXRYRJRBECJE-LLVKDONJSA-N 313.361 2.523 0 40 DFAB CC(C)(C)[C@H]1NC(=O)N(Cc2ccc(-c3ccccn3)nc2)C1=O 575603452 AIPUDVUEHBWMAM-HNNXBMFYSA-N 324.384 2.610 0 40 DFAB CCCCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 42646503 UQNHSEOQUGPKPW-UHFFFAOYSA-N 311.385 2.679 0 40 DFAB CC(C)Oc1c(Cl)cccc1NC(=O)NCC[S@@](C)=O 96435000 PHHDHHHTXNXPGC-FQEVSTJZSA-N 318.826 2.627 0 40 DFAB CCc1nc(CNc2ncnc3c(C)nn(CC)c23)cs1 96193125 RCHCETNDDDUFRM-UHFFFAOYSA-N 302.407 2.786 0 40 DFAB CCCCc1nc(CN2CCC3(CC2)OCCC[C@H]3OC)c[nH]1 95386726 GDYWVOVQZPFHRF-MRXNPFEDSA-N 321.465 2.912 0 40 DFAB O=C(NCc1ccsc1)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 96484411 VTDVROQSVXTGRT-RDBSUJKOSA-N 306.431 2.895 0 40 DFAB CC[C@@]1(C)Oc2ccc(NC(=O)CCn3cccn3)cc2O1 97104331 PUXSGOTZOQGWEH-INIZCTEOSA-N 301.346 2.809 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCCCCC3)CC(=O)N2C)cc1 96181376 ZPGAPTGZZGIRDU-WMZOPIPTSA-N 314.429 2.917 0 40 DFAB Cc1ccccc1O[C@@H](C)CNC(=O)NCCc1nccs1 96439631 HJHXIKGPCPQFHZ-ZDUSSCGKSA-N 319.430 2.761 0 40 DFAB N[C@@H](Cc1ccccc1)c1n[nH]c(COc2ccc(F)cc2)n1 95534866 GGULNWXWAQSJDB-HNNXBMFYSA-N 312.348 2.765 0 40 DFAB C[C@H](CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1cccc1 96408432 SLEUEKPSQRXHIF-CYBMUJFWSA-N 323.437 2.859 0 40 DFAB COc1cc(S(=O)(=O)Nc2cc(C)ccn2)c(C)cc1C 95946084 JUQGOROUUXXJKK-UHFFFAOYSA-N 306.387 2.816 0 40 DFAB COCC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 247878640 PFGFFEDQUVVQLZ-MRXNPFEDSA-N 303.406 2.693 0 40 DFAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2O1 247713806 MAQVNPIYBUKFBC-BRSBDYLESA-N 317.344 2.796 0 40 DFAB O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccno1 85467818 NDVZYEWOMSZXQG-OAHLLOKOSA-N 313.332 2.829 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)C1 252505853 OBZCLDWFJDGYTI-DVOMOZLQSA-N 320.458 2.916 0 40 DFAB Cn1nccc1NC(=O)c1cncc(Cc2cccc(F)c2)c1 257323529 WKQZTKSYSMOGHZ-UHFFFAOYSA-N 310.332 2.797 0 40 DFAB Cc1cc([C@H](O)CCNC(=O)NCc2ccc(F)cc2)c(C)o1 85562063 ICIWUIPVEJTREZ-MRXNPFEDSA-N 320.364 2.958 0 40 DFAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC2(CC1)CC2(F)F 652845104 IUIPBSCAXSKCDY-UHFFFAOYSA-N 307.300 2.931 0 40 DFAB CC(=O)N1CCC[C@H](Cc2ccnc(-c3cnc(C)n3C)c2)C1 585260989 HOIXFMXECSUJSX-MRXNPFEDSA-N 312.417 2.592 0 40 DFAB Cc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1 55373163 MIDUSMMKNSULGE-UHFFFAOYSA-N 304.415 2.656 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](O)[C@H](C)C3)[nH]c12 12146558 LMUPROAQYGBVAM-OCCSQVGLSA-N 300.402 2.936 0 40 DFAB COc1ccc(-c2cc(CC(=O)NC3CCCC3)no2)cc1 12866433 GHWUBZCNBFNNDO-UHFFFAOYSA-N 300.358 2.952 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cccnc1 19130498 GLSYREVHMQYNNW-ZBFHGGJFSA-N 305.385 2.695 0 40 DFAB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(=O)n1C 19131767 XQBRWFYXOWXPAT-UHFFFAOYSA-N 318.804 2.710 0 40 DFAB CNc1cc(CNC(=O)c2ccccc2)nc(-c2cccnc2)n1 19592253 JXZONZKVXKDMPL-UHFFFAOYSA-N 319.368 2.510 0 40 DFAB Cc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)C2CC2)on1 12337697 DMQUIFUBNKIKBD-UHFFFAOYSA-N 314.389 2.932 0 40 DFAB CSc1nccc(N2CCC[C@H](COc3ccncc3)C2)n1 1889101207 PPEOQPLPJRRLHS-ZDUSSCGKSA-N 316.430 2.889 0 40 DFAB COc1cccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889151710 FBWAKFADZVOFRZ-UHFFFAOYSA-N 300.387 2.638 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1F)Cc1ccccc1 27582855 TVJMQTMILURFSB-OAHLLOKOSA-N 318.367 2.868 0 40 DFAB c1ccc(Cc2noc(CSc3nc(C4CC4)n[nH]3)n2)cc1 31655196 ROQQINZKSGTPAZ-UHFFFAOYSA-N 313.386 2.948 0 40 DFAB O[C@]1(COc2ccccc2)CCCN(Cc2nccs2)CC1 2037905570 HUALHOZOINVDGG-QGZVFWFLSA-N 318.442 2.939 0 40 DFAB O=C(O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1Cl 100074637 JRQLOYFQWOEYRB-AOOOYVTPSA-N 307.733 2.718 0 40 DFAB Cn1cc(-c2ncccc2CNC(=O)Nc2cccs2)cn1 575617475 COMUTLHYPVQYEH-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB Cc1n[nH]c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1C 68994201 CYNKPZJGANFLIZ-UHFFFAOYSA-N 321.384 2.953 0 40 DFAB CCn1cc(NC(=O)NCC2(c3ccccc3)CC2)ccc1=O 50038091 JVRPGQMGMRSGSX-UHFFFAOYSA-N 311.385 2.722 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 40510159 QCTUJIAYLALWJE-IUCAKERBSA-N 312.822 2.590 0 40 DFAB Cc1occc1C(=O)NCCC(=O)N1CCCc2ccccc21 40542462 DBWKTOKALJVHNW-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1cccc(CN2CCOC2=O)c1 40539522 FIBYRVJSDSJOAS-ZDUSSCGKSA-N 300.358 2.934 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCCOC3)c12 40556126 DSWSCLGFPNTAPW-NSHDSACASA-N 315.373 2.565 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)CN2CCCCC2)cc1OC 375668 MRDPVMGERQSZDB-ZDUSSCGKSA-N 307.390 2.735 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H]1C[C@@H](C)OC1=O 32741792 SWNJRNPQPAOQMD-SKDRFNHKSA-N 317.366 2.979 0 40 DFAB Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1-n1cnnn1 46304667 GOYDOQIBUIGULD-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB O=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 532416 LEORBTNGBIKLJK-OAHLLOKOSA-N 318.392 2.690 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccc(OC)cc1OC 2647205 ZWXQAXFHSJXRAG-UHFFFAOYSA-N 302.330 2.750 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@H]1CCOC1 41333969 HSAGABUOUOIZMJ-OCCSQVGLSA-N 306.406 2.937 0 40 DFAB Cc1ccc(CNC(=O)C2CC=CC2)c(OC[C@@H]2CCOC2)c1 87454329 FEOBULICSMFVDA-OAHLLOKOSA-N 315.413 2.993 0 40 DFAB C[S@@](=O)C[C@@](O)(c1ccccc1)c1nccc2ccccc12 4824253 SRALUZXSTMYRKP-GCJKJVERSA-N 311.406 2.849 0 40 DFAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 4857326 JFWHVRSGGOLTEX-MQVJKMGUSA-N 317.458 2.905 0 40 DFAB CC(C)OCCCNC(=O)C(=O)Nc1cccc2ccccc12 6328097 UYKKZGIBZBBFDN-UHFFFAOYSA-N 314.385 2.710 0 40 DFAB CCCC(=O)Nc1nn2c(-c3cccc(C)c3)nnc2s1 6818172 MLYYUXFTXRYHON-UHFFFAOYSA-N 301.375 2.900 0 40 DFAB O=C(NCc1ccccn1)c1ccc(OC[C@H]2CCCO2)cc1 8720641 DVNDITMCSJATJT-QGZVFWFLSA-N 312.369 2.569 0 40 DFAB Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cccc(O)c2)sc1C 22481170 SWLZGSCDWWDKIS-SECBINFHSA-N 320.370 2.650 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)CCc1ccccc1 42927853 VYSUAWJPRNKELD-AWEZNQCLSA-N 314.433 2.971 0 40 DFAB CN(C)CCCNCc1ccc(-c2cccc(C(=O)O)c2)o1 12406747 AVQFFOFCIAIRNK-UHFFFAOYSA-N 302.374 2.686 0 40 DFAB COc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1OC 43209895 WSFQGUCKUZKNKK-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CCCc1ccc([C@H](O)CSc2n[nH]c(=O)n2C2CC2)cc1 24831379 UUFGFTZXYPMTRY-CQSZACIVSA-N 319.430 2.685 0 40 DFAB CN(CCNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 24990893 UTCNDTIEXIRNKS-CSKARUKUSA-N 324.380 2.681 0 40 DFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccn(C)c(=O)c1 55736061 UDLFENNJURSALS-GFCCVEGCSA-N 321.380 2.626 0 40 DFAB CC(C)=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 56082053 URDPSHALXAGARC-CQSZACIVSA-N 301.390 2.533 0 40 DFAB C[C@H](NC(=O)NCc1nc2ccccc2s1)[C@H]1CCCO1 26400089 MMCWTSQOVQTHRJ-CMPLNLGQSA-N 305.403 2.663 0 40 DFAB COC(=O)c1sccc1NC(=O)CN(C)[C@H](C)CC(C)C 27140152 ROXAZSNGVJCVQD-LLVKDONJSA-N 312.435 2.840 0 40 DFAB Cc1csc(CNC(=O)NC[C@@H]2COc3ccccc3C2)n1 48197166 BHIJLHCLGDFYFE-GFCCVEGCSA-N 317.414 2.502 0 40 DFAB CCN(CC)CCn1cc(NC(=O)Cc2ccccc2F)cn1 58278141 YWRDBRZPFHJSPS-UHFFFAOYSA-N 318.396 2.545 0 40 DFAB Cn1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n1 58317109 LMHAEBBYKRQFMW-RYUDHWBXSA-N 320.190 2.925 0 40 DFAB O=C(/C=C/c1cccnc1)Nc1ccc(Cn2cccn2)cc1 58368299 DMEUBTOBDAMUGS-RMKNXTFCSA-N 304.353 2.978 0 40 DFAB CCCn1nc(C(=O)NCCC(C)C)c2ccccc2c1=O 3338946 MSAOAQILRPQHHT-UHFFFAOYSA-N 301.390 2.582 0 40 DFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc(C2CC2)no1 29429251 TWIGWOPPBHFZOW-GFCCVEGCSA-N 324.388 2.721 0 40 DFAB CCCNC(=O)CN(C)Cc1nc(-c2ccccc2)oc1C 48324952 LPAIGDVDTMWYKB-UHFFFAOYSA-N 301.390 2.608 0 40 DFAB COC(=O)c1cc(C(F)(F)F)n(Cc2ccccc2F)n1 408717434 ZZRRNPBJCYFSEQ-UHFFFAOYSA-N 302.227 2.876 0 40 DFAB CCCN1C(=O)N/C(=C/c2cccc(OC)c2OC(C)C)C1=O 409244137 YKNLCPZTWDJWJN-JLHYYAGUSA-N 318.373 2.785 0 40 DFAB O=C(C[C@H]1CCCO1)NCCc1ccccc1Br 69517848 UDCPIYUPLJAYKV-GFCCVEGCSA-N 312.207 2.677 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(F)c(Cl)c1 69570544 ABFKHHWUPRBMED-JTQLQIEISA-N 310.760 2.564 0 40 DFAB Cc1cccc(-c2noc(CN[C@H](C)Cn3cc(C)cn3)n2)c1 69511277 HGZUKZOZMBFNBG-CQSZACIVSA-N 311.389 2.728 0 40 DFAB CC(C)N(C)S(=O)(=O)N[C@@H]1CCC(C)(C)c2ccccc21 63773305 YYMDXKAFEREXRZ-OAHLLOKOSA-N 310.463 2.974 0 40 DFAB Cc1noc([C@H](C)NC(=O)Cc2ccccc2Br)n1 69776118 JMPVMSKEJOOMTA-QMMMGPOBSA-N 324.178 2.560 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCc2nccn2C1 65474447 YYNJWMXDRCGLKL-CQSZACIVSA-N 322.368 2.591 0 40 DFAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 14086114 FLKASMHBJFNCJN-AXFHLTTASA-N 314.788 2.915 0 40 DFAB CC[C@@H](C)N(C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C 65515497 DXLDVFMBIMVKKV-CYBMUJFWSA-N 320.437 2.805 0 40 DFAB CN(C)c1cc(CNC(=O)c2cccc3ncccc23)ccn1 65543015 RITISRLSHPPPOF-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB C1=C(c2ccccc2)CCN(Cc2nnnn2-c2ccccc2)C1 14118499 PFTLCVVFMWYQIH-UHFFFAOYSA-N 317.396 2.952 0 40 DFAB COC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 6588728 DLRPJYDZCKNGOT-UHFFFAOYSA-N 306.387 2.792 0 40 DFAB CC(C)c1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 6552741 WZWRYBXYQOBUIK-UHFFFAOYSA-N 307.353 2.798 0 40 DFAB COc1cc(OC)cc(OCC(=O)NCc2cccc(C)c2)c1 111176094 VKRXXONROBRCLY-UHFFFAOYSA-N 315.369 2.707 0 40 DFAB COc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1 5693009 MQWYKKWFWLXYMU-UHFFFAOYSA-N 311.293 2.554 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCCCC2)c1C 7378307 KRDGFDUQEFPVAI-ZDUSSCGKSA-N 306.406 2.865 0 40 DFAB Cc1nnnn1-c1cccc(C(=O)NC2CCCCCCC2)c1 71279268 VKMVUDHMKIRYOJ-UHFFFAOYSA-N 313.405 2.813 0 40 DFAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc[n+]1[O-] 68895597 GQBJSXWWCGHZNY-UHFFFAOYSA-N 307.309 2.760 0 40 DFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cscn1 69161901 UKZSSZKVRNHRFY-LLVKDONJSA-N 310.444 2.740 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(Cl)c1 69492862 YVESZSOLBBTYEU-GIGQVBGESA-N 301.839 2.892 0 40 DFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CC(n2cccn2)C1 69489267 OTEWKAWPWBHBJV-JTQLQIEISA-N 301.375 2.613 0 40 DFAB Nc1nc(COc2ccccc2C=O)nc(Nc2ccccc2)n1 9318156 MDYSHFNSGFAZIF-UHFFFAOYSA-N 321.340 2.589 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 9418590 JIENQIXBNJEYPA-UHFFFAOYSA-N 323.327 2.629 0 40 DFAB O=C1N[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)CS1 96444617 FQXQALFXMXQNJR-NWDGAFQWSA-N 310.806 2.829 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)NCC2(c3ccccc3)CC2)C1 71837439 BIXQIPCXAYXKER-MRXNPFEDSA-N 315.461 2.748 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccnn1C 97055424 OIQGXGDYIRPCBO-JTQLQIEISA-N 311.307 2.800 0 40 DFAB C[C@H](O)[C@@H]1CCCN(c2nnc(Cc3ccccc3)s2)C1 97086021 QCXPLGAYXZYHBD-GXTWGEPZSA-N 303.431 2.726 0 40 DFAB CCOc1cc2c(cc1OCC)CN([C@@H]1C[C@H](C)OC1=O)CC2 72298444 KCWUCCXCGPIXTA-SWLSCSKDSA-N 319.401 2.546 0 40 DFAB COc1ccnc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1 72298665 YAWMRWSXCNDQJO-GFCCVEGCSA-N 317.414 2.875 0 40 DFAB CC(C)Oc1ccccc1NC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 95446502 PZVKSLCVLBPMNY-OLZOCXBDSA-N 319.405 2.592 0 40 DFAB C[C@H]1CN(C)[C@H](C)CN1C(=O)CCCOc1cccc(F)c1 95454248 USOKRAXSLCQXGJ-KGLIPLIRSA-N 308.397 2.536 0 40 DFAB O=C(Cc1ccon1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95434226 GXDHGDDYDTWXLD-GJZGRUSLSA-N 318.373 2.705 0 40 DFAB CNC(=O)CCN1CCC[C@H]1c1ccccc1Br 95410334 WITLBDUGGZQIEW-ZDUSSCGKSA-N 311.223 2.722 0 40 DFAB COC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)nc1 74475990 YJJLXSRZGBOHEI-NSHDSACASA-N 316.332 2.841 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccccc2O)[C@@H](c2ccccc2)CO1 86337360 UZUHQSZGRVWDCE-WMLDXEAASA-N 311.381 2.923 0 40 DFAB CSCC[C@H](C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 89895643 KTLWLZXDDBWWCX-QWHCGFSZSA-N 300.468 2.919 0 40 DFAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC3(CCCCC3)C2)C1 89818537 NFNZIVNXPIBHCS-INIZCTEOSA-N 318.461 2.818 0 40 DFAB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O 585962 SGYCSWPEAHDOHE-MUTRFQPFSA-N 304.430 2.852 0 40 DFAB biogenic CCOC(=O)[C@H](N)C1(Nc2ccc(OC)cc2)CCCCC1 72210565 QCKGUGVPMWCCHW-HNNXBMFYSA-N 306.406 2.700 0 40 DFAB O=C(O)c1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1 530208433 TZAQUSVUGRWIMO-UHFFFAOYSA-N 309.369 2.611 0 40 DFAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)c1 72322106 LZSPHROJMVCRFO-KRWDZBQOSA-N 313.401 2.869 0 40 DFAB biogenic,in-vitro CCC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 78870258 XIVCEMANHFOOHI-CJNGLKHVSA-N 317.433 2.590 0 40 DFAB CC(C)n1nccc1NC(=O)[C@@H](C)Nc1cnn(C(C)(C)C)c1 186266876 VEQTULABOLMLNQ-GFCCVEGCSA-N 318.425 2.855 0 40 DFAB COc1ccc(-c2ccc3nnc([C@H]4CCCCN4)n3n2)cc1 217562638 NNLNMZJVCQLFRF-OAHLLOKOSA-N 309.373 2.615 0 40 DFAB Cc1cc2cc(CNC(=O)[C@@H]3CCc4[nH]cnc4C3)ccc2[nH]1 225514482 MHCKXZYVPMVLKA-CYBMUJFWSA-N 308.385 2.621 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)O 44298102 HZDMRJOAWPIQPO-CYBMUJFWSA-N 304.346 2.688 0 40 DFAB O[C@H]1CCCC[C@H]1n1nnc(-c2ccccc2Br)n1 225463829 AZCCKVYEZLWCKN-NEPJUHHUSA-N 323.194 2.579 0 40 DFAB Cn1nnc2ccc(-c3cnc(OCC4CC4)c(C(=O)O)c3)cc21 572015635 OJYSVPMGBYGHLQ-UHFFFAOYSA-N 324.340 2.517 0 40 DFAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cn1 225784703 XZJHZUFFGBPIQE-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB CN(C)S(=O)(=O)c1ccc2cc(Br)ccc2c1 147169764 WPSGOBFUOJOCPL-UHFFFAOYSA-N 314.204 2.853 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F 96407458 NPHVZKKGYSVTFZ-ZIAGYGMSSA-N 320.383 2.811 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1c[nH]c3ccccc13)C2 97198604 USWMCGBPZHVTDX-OAHLLOKOSA-N 322.412 2.737 0 40 DFAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1c(F)cccc1Cl 96450757 DZDZFUOPBDRALX-SMDDNHRTSA-N 317.813 2.856 0 40 DFAB CC(=O)N[C@H](CC(=O)O)c1ccc(-c2c(C)noc2C)cc1 578884768 RWOCVASJKZJIFL-CQSZACIVSA-N 302.330 2.610 0 40 DFAB COc1cccc(CN2CCOC3(CCN(C(C)C)CC3)C2)c1 96158871 IEUDHKBPXANFAT-UHFFFAOYSA-N 318.461 2.770 0 40 DFAB CO[C@]1(CNC(=O)c2nc3ccccc3s2)CCSC1 96097579 XFKAFNLQHPEHGL-AWEZNQCLSA-N 308.428 2.548 0 40 DFAB CCc1nc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)no1 331542773 HVYLIKDEUGBNRS-YGRLFVJLSA-N 303.337 2.994 0 40 DFAB COCCC1(CNC(=O)NCc2sc(C)nc2C)CCC1 96473469 FDWYDMDXOBFZJT-UHFFFAOYSA-N 311.451 2.766 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 96412554 JJPBNVWYZWEOGU-IRXDYDNUSA-N 320.433 2.648 0 40 DFAB Cc1ccc(CN2CCC3(CC2)c2ncc(C)n2CCN3C)o1 96036998 HJKBBGLEMQCGRS-UHFFFAOYSA-N 314.433 2.530 0 40 DFAB COc1ncccc1C(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257278386 OCBBRCJKHKHIQQ-MRRJBJDNSA-N 304.390 2.510 0 40 DFAB Cc1cccc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)n1 257270297 MTPPVDJNTHXPBK-OAHLLOKOSA-N 310.401 2.526 0 40 DFAB Cc1cc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)ccn1 257234639 GUMKLTQRUHVQLJ-QGZVFWFLSA-N 314.360 2.672 0 40 DFAB Cc1cc(NC(=O)CCn2cnc3cc(F)c(F)cc32)no1 43650456 IGPDMKVMAQZSSE-UHFFFAOYSA-N 306.272 2.640 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc(O)n3)C2)cn1 257287383 PPRQEVZTAJXHAU-OAHLLOKOSA-N 311.385 2.586 0 40 DFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@@H]1CCCO1 57420788 FVVOUAMMSYYRCI-OLZOCXBDSA-N 313.401 2.976 0 40 DFAB CCOC(=O)c1cnn(-c2cnc3ccccc3n2)c1C(F)F 71905801 DSDOLNAOQQQYMS-UHFFFAOYSA-N 318.283 2.930 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)C1CCC1 89894231 NMBSWTOUVFKSJR-GFCCVEGCSA-N 324.446 2.584 0 40 DFAB COC(=O)C1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 13001363 RRUKSRUVXVCODB-NSHDSACASA-N 321.442 2.898 0 40 DFAB Cc1cccc2sc(N3CCN(C(=O)C(C)C)CC3)nc12 5181482 KLQPOKIXOULKHM-UHFFFAOYSA-N 303.431 2.909 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccs2)cc1 7308955 FHBLAVNHTKREMM-JTQLQIEISA-N 309.412 2.990 0 40 DFAB Cc1nc(C)c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1 1888853408 UWHFIKQLHLWGMY-KGLIPLIRSA-N 315.442 2.541 0 40 DFAB Cc1csc(C(=O)N2CCC[C@H](COc3ncccn3)C2)c1 1775995103 BSYOGAAOOAAPNZ-ZDUSSCGKSA-N 317.414 2.778 0 40 DFAB CC[C@H](C)NC(=O)COc1ccc(Br)cc1F 40159262 OVPRZFZDRAZNAQ-QMMMGPOBSA-N 304.159 2.882 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)n(C)n1 13614560 GUKVTDNEIUAXKU-UHFFFAOYSA-N 323.765 2.746 0 40 DFAB NC(=O)c1cccc2nc(-c3ccc([C@H]4CCCN4)cc3F)[nH]c12 49069484 AHIVQGOUBLVTCB-CQSZACIVSA-N 324.359 2.892 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 96441045 VJMFJSQTQHVRCB-UHFFFAOYSA-N 314.389 2.622 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCCc2ccc3c(c2)OCO3)o1 40120823 GQWOJGVCUPSPGV-GFCCVEGCSA-N 316.357 2.920 0 40 DFAB CCOc1ccc(-c2cc(C(=O)N3CCSCC3)n[nH]2)cc1 51315713 GCMCNHSERCCGHY-UHFFFAOYSA-N 317.414 2.664 0 40 DFAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1C[C@H]2C=C[C@H]1C2 101842015 ROKAYVIDCVEIDW-XSLAGTTESA-N 324.424 2.506 0 40 DFAB COc1cc(CNCC(C)C)ccc1OCc1nc(C)no1 32617156 RURMBODWZMHXLL-UHFFFAOYSA-N 305.378 2.711 0 40 DFAB COc1ccc(C(=O)Nc2nncs2)cc1Br 21214725 DUGIGBOTNAEODK-UHFFFAOYSA-N 314.164 2.562 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(CO)c2ccccc21 11852011 GSICQWIHQDLBLI-UXLLHSPISA-N 316.445 2.757 0 40 DFAB Cc1nnc2n1C[C@@H](CNCc1cnc(C(C)(C)C)s1)CC2 71877316 VVXZILOHXPUTMJ-GFCCVEGCSA-N 319.478 2.693 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NC[C@@](C)(O)c1ccco1 76087723 JGEAUKWUEDYRHR-YVEFUNNKSA-N 320.364 2.557 0 40 DFAB CCOc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NC(C)C 1343371 DHTXEEDYVAVFII-CQSZACIVSA-N 319.405 2.606 0 40 DFAB C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc23)C[C@H]1N(C)C 78895649 LVZHGJSFKXMLOM-XHDPSFHLSA-N 317.820 2.910 0 40 DFAB COC[C@@H]1CN([C@@H](C)Cc2nc3ccccc3s2)CCO1 79325599 QFFCXTUPGLFERU-STQMWFEESA-N 306.431 2.575 0 40 DFAB CN(C)Cc1ccccc1CNC(=O)[C@H]1COc2ccccc2C1 21938474 MJGIWSWMZJABKQ-GOSISDBHSA-N 324.424 2.616 0 40 DFAB O=C(COc1ccccc1)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850500 XPBJXWLOVSUGKF-UHFFFAOYSA-N 322.364 2.539 0 40 DFAB CN(CCOc1ccccc1)CC(=O)Nc1cccnc1Cl 7457515 HPAVOBWCUHJHTK-UHFFFAOYSA-N 319.792 2.684 0 40 DFAB Cc1cc(C(N)=O)ccc1NC(=O)[C@@]1(C)CC1(Cl)Cl 41931749 HDBLARKRYNYRHB-GFCCVEGCSA-N 301.173 2.616 0 40 DFAB CCOC(=O)N1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 8685385 KPZPIZYQFQIDRX-UHFFFAOYSA-N 321.446 2.774 0 40 DFAB Cc1cccc(OCC(=O)NCc2ccc3c(c2)OCO3)c1C 798378 WUIGYQLTPASYPU-UHFFFAOYSA-N 313.353 2.727 0 40 DFAB O=C(Nc1ccccn1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 806803 GALFNSOHDFYOFT-LLVKDONJSA-N 315.760 2.727 0 40 DFAB CCCc1noc([C@H](C)N2CCN(c3ccc(O)cc3)CC2)n1 23053579 DHLASAJEAZHKGY-ZDUSSCGKSA-N 316.405 2.611 0 40 DFAB COc1ccccc1C(=O)NC[C@H](c1cccs1)N(C)C 23105557 SZWJPODDMROBMA-CYBMUJFWSA-N 304.415 2.789 0 40 DFAB COc1nc(C(F)(F)F)ccc1I 47218628 WKKZDGDHIDNRDE-UHFFFAOYSA-N 303.021 2.714 0 40 DFAB CCc1nc(CN(Cc2cccs2)C[C@H]2CCCO2)no1 54315999 QOIDXUPMELDUDM-GFCCVEGCSA-N 307.419 2.875 0 40 DFAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(F)cc1F 106180597 BBPXYAVJJFMBEZ-HERUPUMHSA-N 323.343 2.615 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)n(C)n1 43434213 NIDHAOYCPFKBEJ-NSHDSACASA-N 302.378 2.577 0 40 DFAB CCc1nc(CNC(=O)c2cc(F)cc3[nH]cnc23)cs1 107614388 QWZOJYSLTJJATG-UHFFFAOYSA-N 304.350 2.651 0 40 DFAB CN(C)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 35281663 HAPHQLHEAPHUIH-UHFFFAOYSA-N 300.362 2.598 0 40 DFAB CCCc1nc(C)c(C(=O)N[C@H]2CCc3nc(C)cn3C2)s1 97198826 DNAGSHUYCWFQID-LBPRGKRZSA-N 318.446 2.654 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1 44107413 FWNRVVMIHPRZLM-UHFFFAOYSA-N 317.345 2.528 0 40 DFAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 35650858 YKUSTRWPRKRVGX-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CN(C)C(=O)c1cccc(CSc2nncn2C2CC2)c1 58215714 HMOVJFSVZMQEBB-UHFFFAOYSA-N 302.403 2.607 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)COc2ccccc2)c1C 58217573 VRFMWKBUDHCKRT-UHFFFAOYSA-N 314.385 2.744 0 40 DFAB CCCc1noc([C@H](C)S(=O)(=O)Cc2cccc(OC)c2)n1 44938800 SMFNANZFXGLIMI-NSHDSACASA-N 324.402 2.707 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(NCCc2ccccc2)s1 10771306 RODYMGCXJMFAGO-LLVKDONJSA-N 321.427 2.600 0 40 DFAB NC(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCc2ccccc21 45723873 ZGYUREHOPQGFEJ-QGZVFWFLSA-N 323.396 2.914 0 40 DFAB CCc1nnsc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 29169192 FDDKJPDCBACMKR-UHFFFAOYSA-N 316.386 2.701 0 40 DFAB COc1ccc2nc(C)c(C(=O)/N=c3/sccn3C)cc2c1 29650080 XHLZNKJEGLMBIV-FBMGVBCBSA-N 313.382 2.693 0 40 DFAB CC(C)CN1C(=O)C(=O)N(Cc2cccc3ccccc23)C1=O 3544019 IRNPBYKEZNJHOG-UHFFFAOYSA-N 310.353 2.787 0 40 DFAB O=C1C[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)c2ccccc2N1 12919523 CENLDNJXBUDLMB-GDBMZVCRSA-N 322.364 2.752 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)CCCNc1ncccn1 49623882 LUYLWGXQRJSEMC-GFCCVEGCSA-N 316.430 2.876 0 40 DFAB CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 4284148 SBDOHRSOXNIYAM-UHFFFAOYSA-N 302.447 2.712 0 40 DFAB CCCn1c(C)nnc1SCC(=O)NC1CCCCCC1 13990464 KKBWLRAUUHHTLX-UHFFFAOYSA-N 310.467 2.928 0 40 DFAB O=C(NCCc1ccccn1)N1CC[C@@H](Nc2ccccc2)C1 65513166 IDLQDIIZYUVMCQ-QGZVFWFLSA-N 310.401 2.520 0 40 DFAB O=C1C=CC[C@H](/C=C/C[C@H](O)C[C@@H](O)/C=C/c2ccccc2)O1 14947575 JSKFCRSAYKODTM-RURAAYBUSA-N 314.381 2.630 0 40 DFAB biogenic,in-vitro COc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1Cl 67126711 MZEVMHUELIGAQA-UHFFFAOYSA-N 314.769 2.812 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)NCCCc1ccccc1 15999183 AICFQJIWEBYISN-OAHLLOKOSA-N 306.406 2.506 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 68518068 BGOXPXCJTVWOEM-HZPDHXFCSA-N 312.413 2.661 0 40 DFAB CCc1nn(C)cc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 91157766 TWRJOXGDBDWVIT-NSHDSACASA-N 319.792 2.826 0 40 DFAB Cc1nc(C(=O)N2CCC[C@@H](C)C2)nn1-c1ccc(F)cc1 16642477 IGDXDPTWVQDVHS-LLVKDONJSA-N 302.353 2.587 0 40 DFAB C[C@H](CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccsc1 91350211 KJWDIUJHBQNCPK-VXGBXAGGSA-N 324.471 2.850 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CCCO1 8312127 NTODGSBWUWTKHJ-KRWDZBQOSA-N 313.401 2.627 0 40 DFAB CCCCN1CCC(C(=O)NCCc2ccccc2F)CC1 69444401 UNIJQYNGWRNOPH-UHFFFAOYSA-N 306.425 2.997 0 40 DFAB CCN(CC)CCOc1cc(NC(=O)NC(C)C)ccc1OC 69599489 DSIXUCLHJOFJLS-UHFFFAOYSA-N 323.437 2.946 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc3cccnc23)cn1 71796977 DCEUJRNOGNXAEV-INIZCTEOSA-N 306.369 2.946 0 40 DFAB CC(C)NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 97056225 DGDOOVFAZJNGMT-LBPRGKRZSA-N 310.266 2.682 0 40 DFAB NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 72286443 MJCFPLUCGRDXHQ-NWDGAFQWSA-N 315.760 2.576 0 40 DFAB O=C(Nc1cncnc1-n1cccn1)c1ccc(F)c(Cl)c1 97231496 JFVPUVCGDPLYJX-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB COc1ccc(CCN[C@H](c2ccncc2)c2nccn2C)cc1 95466810 WGHHZPCAUWVKIJ-GOSISDBHSA-N 322.412 2.745 0 40 DFAB CC(C)[C@@H](Nc1ncc(Cl)cn1)c1nnc2ccccn12 95415032 CKFZTEFZSXWLTN-GFCCVEGCSA-N 302.769 2.982 0 40 DFAB CC(C)CCOc1cccc(NC(=O)NC[C@@H]2CCOCO2)c1 95452795 QZALODSKDHSYLD-INIZCTEOSA-N 322.405 2.996 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCC2(CCCC2)CC1 95960703 SZCIUCOWXNXOOT-HNNXBMFYSA-N 305.466 2.837 0 40 DFAB C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C[C@@H]1O 89401740 PQKFGOHKUUQKOX-YGRLFVJLSA-N 319.792 2.573 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)c(=O)[nH]1 75118915 WYCITTJQRAJKKU-CYBMUJFWSA-N 300.383 2.650 0 40 DFAB O=C(Cc1c[nH]c2ncccc12)Nc1cccc(-c2ncon2)c1 89780532 SJNQZNGFYAFYFT-UHFFFAOYSA-N 319.324 2.794 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccco1 75582633 OHFBBVJJUKUWRM-MCIONIFRSA-N 305.761 2.886 0 40 DFAB Cc1c(-c2nn3c(-c4ccsc4)nnc3s2)cnn1C 71283654 ZWWBIHYJQFJFCK-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cn1 36614046 JSTBELIISYXMIZ-UHFFFAOYSA-N 311.311 2.979 0 40 DFAB Cc1cnc2c(S(=O)(=O)N3CC[C@@H]3C(C)C)cccc2c1 521547445 UOCHMGPQBKHMGE-CQSZACIVSA-N 304.415 2.962 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)s1)C(=O)O 34516187 WFISWLYIBVMABO-QMMMGPOBSA-N 305.783 2.922 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccccc2Br)[C@H]1CN 70176632 PPDGWHQKEQHGFJ-MFKMUULPSA-N 311.223 2.649 0 40 DFAB CN(C)C(=O)COc1cccc(CN[C@@H]2CCC23CCCC3)c1 189071923 CDRTYXKUGNCCBN-QGZVFWFLSA-N 316.445 2.966 0 40 DFAB O=C(NCC1(O)Cc2ccccc2C1)Nc1cccc(Cl)c1 225717883 ZBIBMUPHAJELSN-UHFFFAOYSA-N 316.788 2.991 0 40 DFAB Cc1nc(-c2cccc(F)c2)sc1C(=O)NCCCC(=O)O 49550091 BWPAVYLMFQQFFQ-UHFFFAOYSA-N 322.361 2.852 0 40 DFAB Fc1ccc([C@@H]2OCC[C@H]2NCc2noc(C3CC3)n2)cc1F 192133408 ZOIOJVDSZDBOEX-HIFRSBDPSA-N 321.327 2.845 0 40 DFAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 225343595 OGKJPOWEPDOWDK-SECBINFHSA-N 309.416 2.974 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)Oc2nn(C)c3ccccc23)n1 226755134 WRBVTBKPJXKNQP-LBPRGKRZSA-N 310.357 2.683 0 40 DFAB CCCNC(=O)Cn1cc(-c2cccc(Br)c2)cn1 227154317 KZZKJEWYSVJXOA-UHFFFAOYSA-N 322.206 2.839 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@H]1CC[C@@H](O)C1 195578365 GYYVDEKEWAHVAN-YESZJQIVSA-N 304.434 2.776 0 40 DFAB COc1cccc(C2(CN)CCN(C(=O)OC(C)(C)C)CC2)c1 98213828 ZXEOTNVALQBNDI-UHFFFAOYSA-N 320.433 2.923 0 40 DFAB CCN1CC[C@H](N(C)C(=O)Cc2ccc(O)cc2Cl)[C@H](C)C1 97059432 LILUTSOTPKWOJL-WBMJQRKESA-N 324.852 2.777 0 40 DFAB Cc1ccc(CN2CCC3(CC2)CCN(c2ncccn2)C3)o1 96046595 CTMURNHSAUMQKM-UHFFFAOYSA-N 312.417 2.871 0 40 DFAB Cc1cnc(CCN(C)C(=O)c2cn(C(C)C)nc2C)s1 578335812 RORASIUTJSOKQU-UHFFFAOYSA-N 306.435 2.852 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)Cc2cc(=O)c(O)co2)s1 96424495 OOBRBZFUZZUWFC-JTQLQIEISA-N 308.403 2.866 0 40 DFAB Cc1ccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)cc1 96238497 VEVDNKDBHMPSOC-IBGZPJMESA-N 314.429 2.603 0 40 DFAB Brc1cncc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)N2)c1 96510302 TZBAZCPFBXKZNL-VHSXEESVSA-N 305.179 2.583 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccnc(C)n2)C1 96462867 RCGPRQHHAZYIRN-UONOGXRCSA-N 308.451 2.601 0 40 DFAB Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 96041891 UJOWCVZRPZQNFK-ARFHVFGLSA-N 318.348 2.625 0 40 DFAB CCS[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cc(C)no1 249515108 QENHRZCDOJUIIV-JHJVBQTASA-N 311.451 2.964 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCC(C)CC2)n1 257291376 QGRGSFQRALPXKD-OAHLLOKOSA-N 302.422 2.705 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257218021 DBOKOSRPROEQJQ-HNNXBMFYSA-N 307.397 2.833 0 40 DFAB FCCn1ncnc1CN1CC=C(c2c(F)cccc2F)CC1 252506341 VZTABRWTZRCSKE-UHFFFAOYSA-N 322.334 2.815 0 40 DFAB COc1cccc(C(=O)N2CC[C@H](Cc3nccs3)C2)c1 257212410 CDHIRUXFPSPLBA-GFCCVEGCSA-N 302.399 2.857 0 40 DFAB O=C(c1cc[nH]n1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 257298137 RKJKKPZGLBJUAB-CYBMUJFWSA-N 306.369 2.663 0 40 DFAB Cn1cc(-c2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)n1 623168832 RVZHAJRKVXPHTD-UHFFFAOYSA-N 304.293 2.509 0 40 DFAB Cc1nsc(C)c1C(=O)N1CCC(c2cnn(C)c2)CC1 292602174 ARSYMATYUKMLEI-UHFFFAOYSA-N 304.419 2.513 0 40 DFAB CO[C@H]1CCCN(C(=O)Cc2ccccn2)[C@H]1Cc1ccccc1 585277155 MDUSCGDGJGLBRQ-OALUTQOASA-N 324.424 2.873 0 40 DFAB Cc1c(C(=O)Nc2ccc[nH]c2=O)oc2c1C(=O)CC(C)(C)C2 58417723 DGYNMSRQSRFSAT-UHFFFAOYSA-N 314.341 2.684 0 40 DFAB CCC1(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCC1 89948174 YNHDQSWBSHGJSA-CZUORRHYSA-N 312.479 2.921 0 40 DFAB N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 3029819 JLRKRQCTYQGDKJ-GHXNOFRVSA-N 314.322 2.783 0 40 DFAB in-vivo COCC(=O)N[C@@H](CC(C)C)c1nc2cccnc2n1C(C)C 12114110 GMPKLYRRADRODW-AWEZNQCLSA-N 318.421 2.862 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)s1 12441614 LPHOUOAXRKZBQA-AWEZNQCLSA-N 323.439 2.819 0 40 DFAB COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@@H]2C1=O 15188435 OHDHLNWMAPCUNW-LZDSYCOUSA-N 309.365 2.953 0 40 DFAB O=C1CCCN1c1cccc(OS(=O)(=O)c2ccccc2)c1 15362466 CAKLBEDEKQWMIC-UHFFFAOYSA-N 317.366 2.581 0 40 DFAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)n1 15672482 ZHNHZWVECJJYQZ-MJBXVCDLSA-N 315.442 2.684 0 40 DFAB biogenic,in-vitro CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1 18220061 UPAQASQPHBSOTG-JTQLQIEISA-N 318.402 2.689 0 40 DFAB CCSc1ncc(CN(C)Cc2n[nH]c3c2CCCC3)cn1 19520511 KNRYYDMBEMGLNI-UHFFFAOYSA-N 317.462 2.823 0 40 DFAB COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 6152160 GYXVTQQMIKHFOC-UHFFFAOYSA-N 314.366 2.992 0 40 DFAB c1ccc(N2C[C@@H]3CCN(Cc4ccc5c(c4)CCO5)[C@H]3C2)nc1 1889128417 FYUFTGLZSIVNDI-ROUUACIJSA-N 321.424 2.727 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1Cc2ccccc2O1 31929148 RHXMBJMRRGZZCP-MRXNPFEDSA-N 324.336 2.585 0 40 DFAB COc1cccc(C(=O)Nc2ncnc3sccc23)c1OC 5299489 ZGORJDRPECTHBW-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB C[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccn1 40480098 PQTBEQQWZFHJQV-QMMMGPOBSA-N 308.267 2.711 0 40 DFAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2[nH]1 32738292 UVNGQIKRUPGOQG-BZNIZROVSA-N 323.352 2.580 0 40 DFAB C[C@H](OC(=O)/C=C/c1cnn(C)c1)C(=O)c1ccc2c(c1)CCC2 21435721 SPVPGKBOABHGRN-PPGNKHEKSA-N 324.380 2.737 0 40 DFAB O=C(C[C@@H]1CCCO1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 76018840 YMLIJNYUACGZEK-KBPBESRZSA-N 322.380 2.924 0 40 DFAB COc1cccc(CN(C)C(=O)c2cc(C)ccc2O)c1OC 32964129 FEIAKBJRRYPDGG-UHFFFAOYSA-N 315.369 2.990 0 40 DFAB COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cn2)cc1 1358643 ARGZNJMBXCGFAW-UHFFFAOYSA-N 313.357 2.937 0 40 DFAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1 32912573 WVUSMMNNSAXOAP-CQSZACIVSA-N 310.275 2.959 0 40 DFAB O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1C1CCCCC1 1682179 VWQJROFHLBAQNQ-UHFFFAOYSA-N 322.386 2.816 0 40 DFAB CCc1cc(CNS(=O)(=O)c2cccc3ccccc23)[nH]n1 79053202 WEZVIEKCQICAJW-UHFFFAOYSA-N 315.398 2.604 0 40 DFAB CO[C@@](C)(C(=O)NC[C@@](C)(O)c1ccccc1)c1ccccc1 79021008 CTKZPKDRIOVONI-RTBURBONSA-N 313.397 2.572 0 40 DFAB O=C(CNC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 2647208 VXKHXFLPCDOJNE-KRWDZBQOSA-N 308.381 2.610 0 40 DFAB COC(=O)c1cc([C@@H]2Nc3ccccc3C(=O)N2C)oc1C 22018313 ZMMSPGUUIAUFQM-CQSZACIVSA-N 300.314 2.571 0 40 DFAB CCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1 558353 PLUKOLIQAXZTAV-UHFFFAOYSA-N 317.433 2.874 0 40 DFAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(O)(c2ccccn2)CC1 100165062 WBMHYHBRHHDYRR-OAGGEKHMSA-N 314.429 2.718 0 40 DFAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 61721526 ULCDBOPOPCWMDQ-UHFFFAOYSA-N 318.336 2.517 0 40 DFAB CN(CC(=O)Nc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 8748377 XYZURVPHZPDZGT-UHFFFAOYSA-N 316.332 2.625 0 40 DFAB Cc1nc(CNc2ccc3nnc(C(F)(F)F)n3n2)cs1 42109114 NEUNXTZDPZWHHB-UHFFFAOYSA-N 314.296 2.520 0 40 DFAB COc1ccc(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 104749490 MXHDYRYUAYACKY-UBHSHLNASA-N 320.458 2.857 0 40 DFAB COC(=O)CCCN(C)C(=O)c1cccc(-n2cccc2)c1 55439398 BZYMGHDRKAVNEN-UHFFFAOYSA-N 300.358 2.503 0 40 DFAB c1cncc(-c2n[nH]cc2CNCc2ccc3c(c2)OCCO3)c1 48040685 OFRUTEPEIWORNS-UHFFFAOYSA-N 322.368 2.533 0 40 DFAB Cn1c(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc2ccccc21 55859601 BTONPHXSRUTWRY-OAHLLOKOSA-N 321.380 2.674 0 40 DFAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2C)C1=O 101275827 UALPPKKOUOQNOS-CQSZACIVSA-N 310.353 2.748 0 40 DFAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC2(CC1)OCCO2 56138996 YNVSQNJUPBLKJD-CYBMUJFWSA-N 314.385 2.578 0 40 DFAB CC(C)c1cc(NC(=O)CN2CCOc3ccccc32)on1 26200977 RSZKMFDZKFPTLQ-UHFFFAOYSA-N 301.346 2.636 0 40 DFAB CC(C)(C)[C@H]1CCN(CC(=O)NC2CCCCCCC2)C[C@H]1O 108172030 CSIUTHHNPWTILT-DLBZAZTESA-N 324.509 2.944 0 40 DFAB COCCOc1ccc(NC(=O)NCCc2cccs2)cn1 57505961 GNLJRZVQWQEXMV-UHFFFAOYSA-N 321.402 2.533 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COc1nncc2ccccc12 3357836 NBTIRRDXMNOYBY-CYBMUJFWSA-N 319.364 2.986 0 40 DFAB CCCCN(C)C(=O)c1sccc1NC(=O)c1cnccn1 67335711 ZDNSJFHVRCQCFG-UHFFFAOYSA-N 318.402 2.663 0 40 DFAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccncc2)C1 58132604 JQWUBUUUSFJLCY-ZIAGYGMSSA-N 318.421 2.630 0 40 DFAB O=C(c1ccc(-n2ccnc2)nc1)N1CCc2sccc2C1 44896777 GAXKRLHNVQBCEI-UHFFFAOYSA-N 310.382 2.527 0 40 DFAB Cc1ccccc1OCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 12796743 QEHICSHQSBVKJU-GOSISDBHSA-N 324.424 2.889 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 44907773 QMNFINHACFTOPM-FMKPAKJESA-N 318.417 2.827 0 40 DFAB Cc1cc(C(=O)NCCc2ccccc2Br)no1 58330513 SHAYCEYJOVNZBD-UHFFFAOYSA-N 309.163 2.718 0 40 DFAB CC(=O)Nc1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1C 48369938 VFMAFTMKHBFZPG-TXEJJXNPSA-N 305.378 2.595 0 40 DFAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(O)nn1 48332957 APYMEORLWMQWIP-UHFFFAOYSA-N 315.348 2.563 0 40 DFAB COc1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1 12871221 GXTKRSMHZYNREK-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB COc1cc(C(=O)Nc2ncccc2O)ccc1OC(C)C 45617005 FWSVSDCIOBOGBD-UHFFFAOYSA-N 302.330 2.835 0 40 DFAB Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 3452176 OCCVTDVADCGAAD-UHFFFAOYSA-N 315.316 2.891 0 40 DFAB CCOc1cc2c(cc1NC(=O)c1cc(C)on1)O[C@@H](C)C2 12921935 HMBQEBKKOBCCJO-VIFPVBQESA-N 302.330 2.957 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 62912684 MROSRPXCDUMOTM-CYBMUJFWSA-N 302.157 2.930 0 40 DFAB Cc1nnsc1C(=O)NCC1(N2CCCCC2)CCCCC1 8853369 SWNLIMSCOVMMHU-UHFFFAOYSA-N 322.478 2.765 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCc2nccn2C1 65474448 YYNJWMXDRCGLKL-AWEZNQCLSA-N 322.368 2.591 0 40 DFAB CCc1ncncc1C(=O)NC[C@H](Nc1ccccc1)C(C)C 96435974 ONGDPMYJXRJYKS-KRWDZBQOSA-N 312.417 2.906 0 40 DFAB CCc1ccccc1NC(=O)Cn1ncc2ccccc2c1=O 14224346 FUYGPEKGSZPQNA-UHFFFAOYSA-N 307.353 2.598 0 40 DFAB CC[C@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2)CC1 4680229 MCWBGNKMVUPRBT-AWEZNQCLSA-N 304.434 2.822 0 40 DFAB CCn1c(CSc2nnnn2C2CC2)nc2cc(F)ccc21 66256444 PMPVXLVCMXUQEI-UHFFFAOYSA-N 318.381 2.809 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1csc(C2CC2)n1 67027538 XHMZTEBCPLRVJZ-GFCCVEGCSA-N 321.402 2.506 0 40 DFAB O=C(c1ccccc1)N1CCN(c2ncnc3sccc23)CC1 5937649 JTVDKURBRYFLMX-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB N=c1oc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 67350742 SBCUKAYNCYBWJJ-UHFFFAOYSA-N 308.293 2.893 0 40 DFAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NC(C)(C)C 7191014 GTUDBMAMDWONRQ-NSHDSACASA-N 302.374 2.638 0 40 DFAB COc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1OC 15658381 AZQXROHQFDCNPI-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB Fc1ccc2c(c1)[C@H](N[C@@H]1CCc3[nH]ncc3C1)CCCO2 90455127 FVQJTDJIXALFKE-CZUORRHYSA-N 301.365 2.910 0 40 DFAB COc1ccc(-c2ccc(CNn3cnnc3)o2)cc1Cl 7602296 YUXNZTWSTUPJFQ-UHFFFAOYSA-N 304.737 2.944 0 40 DFAB O=C1C[C@H](c2nc(-c3ccncc3)no2)CN1c1ccccc1 9317982 OUCMYUDBRHAVGO-ZDUSSCGKSA-N 306.325 2.652 0 40 DFAB CCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1 8021872 PPUQGIWTBFITEV-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB CCN(Cc1ccoc1)C(=O)NCCc1nc(C(C)C)no1 69122930 XGZJXEOZBQIKLC-UHFFFAOYSA-N 306.366 2.560 0 40 DFAB CCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)OC)cn1 69493721 ROPQKLKIWYQPCW-UHFFFAOYSA-N 312.369 2.921 0 40 DFAB CCNC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 69418931 ZCYVHEYKUKVZMU-INIZCTEOSA-N 308.385 2.982 0 40 DFAB O=S(=O)(c1cccc(F)c1F)N1CCC[C@H]1c1ccccn1 69461355 WIDPYXJGRFQKQJ-ZDUSSCGKSA-N 324.352 2.886 0 40 DFAB Cc1cnn(C[C@H](C)NCc2cccc3c2OCCCO3)c1 69444183 DPZRBGHBLFYHHT-AWEZNQCLSA-N 301.390 2.531 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)c1 69416163 RRWFTJXWCAPTEP-LBPRGKRZSA-N 322.796 2.548 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(F)c(Cl)c1 69570547 ABFKHHWUPRBMED-SNVBAGLBSA-N 310.760 2.564 0 40 DFAB O=C(NCCCOc1ccccc1)c1cc(=O)c2ccccc2o1 9455604 GYXWXHNABTZZEA-UHFFFAOYSA-N 323.348 2.992 0 40 DFAB C[C@@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccn1 69740698 CXQYVUFIMUJGTA-GFCCVEGCSA-N 324.336 2.653 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccncc1 69740300 DQFGCWUWBBMXEB-JKSUJKDBSA-N 311.385 2.788 0 40 DFAB COc1cccc([C@H](CO)NC(=O)[C@@H](C)c2ccsc2)c1 92193732 YXYDNXCJWVWKSH-NHYWBVRUSA-N 305.399 2.710 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c(F)c1 69951627 VFAMJZWXIKIKCY-CYBMUJFWSA-N 317.364 2.726 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCCN(c2cccnn2)CC1 69947681 CWRHEIMXNABVEX-UHFFFAOYSA-N 322.368 2.575 0 40 DFAB Cc1nc(CC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)cs1 71827267 TYRQJPVGDVYNFH-MLGOLLRUSA-N 316.426 2.983 0 40 DFAB COc1ccc(NC(=O)C2CCCC2)c(C(=O)NC2CC2)c1 71883092 QWDDRLRRTQZSGD-UHFFFAOYSA-N 302.374 2.716 0 40 DFAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cnc(N(C)C)n1C 83736770 VBXFIWWNCHTUJH-GXTWGEPZSA-N 321.469 2.500 0 40 DFAB O=C(N[C@H](c1nnn([C@@H]2C=CCCC2)n1)C1CC1)c1ccccc1 71911003 IKUXWTOVLJAWRG-CVEARBPZSA-N 323.400 2.835 0 40 DFAB Cc1nc(S(=O)(=O)Cc2ccccn2)n(CC(C)C)c1C 97160077 APYMRUVFZPDGPS-UHFFFAOYSA-N 307.419 2.525 0 40 DFAB Cc1noc(COCC(=O)Nc2ccc(Cl)cc2Cl)n1 71907483 RESBZIBMNCZRFP-UHFFFAOYSA-N 316.144 2.840 0 40 DFAB Cc1ccc(-c2nc(CNC(=O)c3c(C)n[nH]c3C)co2)cc1 97059576 XIQDZKMQVKWCCO-UHFFFAOYSA-N 310.357 2.920 0 40 DFAB CS(=O)(=O)c1ccc(N[C@H]2CCN(CC3CCCC3)C2)cc1 97085978 SQOAOMOXZCRAAI-INIZCTEOSA-N 322.474 2.767 0 40 DFAB O=C(Cn1ccnc1)Nc1ccc(Cl)c(OC(F)F)c1 97080002 RMKQHHMMIWHFIH-UHFFFAOYSA-N 301.680 2.777 0 40 DFAB CC(C)C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccccn1 97038975 UCJUAKTYEYRFPV-WBVHZDCISA-N 320.433 2.681 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)no1 72274118 ACBJYIYTRJFYNA-AWEZNQCLSA-N 314.389 2.502 0 40 DFAB C[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)c1cccs1 95399331 UTOOYPLWJJDUMY-SNVBAGLBSA-N 324.427 2.862 0 40 DFAB O=C(NCC1(CO)CC1)N[C@@H]1CC2(CCC2)Oc2ccccc21 95411623 AXAJBFSRWGSIQL-CQSZACIVSA-N 316.401 2.505 0 40 DFAB C[C@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(F)cc1F 95466942 WOGLXJBLCFQEDZ-VIFPVBQESA-N 321.331 2.704 0 40 DFAB O=C(OCC1CCN(Cc2ccco2)CC1)c1cccnc1 95459237 GPMUWFAMFKAJCU-UHFFFAOYSA-N 300.358 2.744 0 40 DFAB COCCOc1cccc(/C=C2\C(=O)NC(=O)c3ccccc32)c1 98054987 IIYUPTWKAOEUJD-ATVHPVEESA-N 323.348 2.522 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)nn1-c1cccc(Cl)c1 95991468 VCRBLJWKGPEDBV-SMDDNHRTSA-N 319.792 2.741 0 40 DFAB COCCN(Cc1ccccn1)C(=O)N1[C@@H](C)CCC[C@H]1C 95984075 HPMCJVQHFAULCN-GASCZTMLSA-N 305.422 2.913 0 40 DFAB CN(CCOc1cccc(Cl)c1)C1CCS(=O)CC1 89346376 AFMDFCNZMSWZCL-UHFFFAOYSA-N 301.839 2.562 0 40 DFAB CCCCOCc1nn(CC)cc1I 408716132 JGEPYPGWGQBGPY-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB C[C@H]1Cc2ccc3c(c2[C@@H](O)C1)C(=O)c1cccc(O)c1[C@@H]3O 31158811 FDVOVSCQDWKKHH-WMLWOHAOSA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro COc1ccc(C2CCN(c3ccnc(N(C)C)n3)CC2)cc1 75060400 KHVHHPOBCSYAJH-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)NCCn2ccnc2)c1 78611645 AWMRUDZPXPUKOQ-UHFFFAOYSA-N 318.377 2.501 0 40 DFAB O=C1CCCc2cc(NC(=O)NCCc3ccccn3)ccc2N1 78402915 PYYLDVNMBABHQJ-UHFFFAOYSA-N 324.384 2.721 0 40 DFAB O=C(NCc1ncoc1-c1ccccc1)N1CCC[C@H]1CF 520354947 VQOMBBAOADLNIE-ZDUSSCGKSA-N 303.337 2.985 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C 75081348 OPLXMVOXFAIPEA-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB CC(=O)N[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 78190688 JZLXGKWRZJBWEO-RDDDGLTNSA-N 322.714 2.584 0 40 DFAB Cc1cnc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 180444085 VQRYRSDSDUKTPG-GFCCVEGCSA-N 311.451 2.941 0 40 DFAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 78234567 FFPNMPKBMCRVNZ-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(OC)c2)cc1 72228076 KTCIVZZMIYZWLD-IAGOWNOFSA-N 312.369 2.509 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(N)cc1Br 226238046 KHPAHMBNIVUNJO-UHFFFAOYSA-N 316.224 2.500 0 40 DFAB Cc1ncc(CN(CC(=O)O)Cc2ccc(F)c(F)c2)s1 574458696 RESCCJMQAARUIP-UHFFFAOYSA-N 312.341 2.817 0 40 DFAB COc1cc(OC)c(C(=O)CCCCCC(=O)O)cc1OC 43214196 HXVTVJCUDMBSKI-UHFFFAOYSA-N 310.346 2.930 0 40 DFAB Cc1cc(C(=O)Nc2cccnc2-c2cnn(C)c2)nn1C(C)C 573687599 UIFBLBMPEWCBNI-UHFFFAOYSA-N 324.388 2.820 0 40 DFAB CCS(=O)(=O)CCSc1ccccc1Br 96410863 JYZVUAXWAGNPIW-UHFFFAOYSA-N 309.250 2.976 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCOC[C@@H]2CC2CCC2)o1 577556512 YHIHJXWVGWJWDL-AWEZNQCLSA-N 321.421 2.543 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)N1 96069669 LLSLWESIPLCQEA-OAHLLOKOSA-N 324.380 2.558 0 40 DFAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@]2(C)CCOC2)c1 96485101 IONUTXSESXXCJV-KRWDZBQOSA-N 314.389 2.790 0 40 DFAB Cn1cc(CNCc2ccc(-n3ccnc3)nc2)c(C(C)(C)C)n1 93947392 UTOXMBBBSYRSIE-UHFFFAOYSA-N 324.432 2.588 0 40 DFAB Fc1cccnc1O[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1 96107676 IJBPYENBNYZNST-YOEHRIQHSA-N 318.348 2.626 0 40 DFAB CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1snc(O)c1Cl 252495918 PDLSEHCCZSLBJQ-XCBNKYQSSA-N 318.826 2.683 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257218022 DBOKOSRPROEQJQ-OAHLLOKOSA-N 307.397 2.833 0 40 DFAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cncs2)ccn1 257294218 QTCBPITWXHICIJ-INIZCTEOSA-N 316.430 2.511 0 40 DFAB CCc1nc(CC(=O)N(C)Cc2cc(C(=O)O)c(C)o2)cs1 262533594 SYOODKOPFNVYCZ-UHFFFAOYSA-N 322.386 2.506 0 40 DFAB Cc1ccc2oc(C(=O)NC[C@@H](O)CCc3ccccc3)cc2n1 273108716 AREASTDWJCFCLI-HNNXBMFYSA-N 324.380 2.860 0 40 DFAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(N(C)C)cc1 90611981 CNUCEVWVBOASMQ-QGZVFWFLSA-N 313.401 2.916 0 40 DFAB O=C1C[C@@]2(CCN(C(=O)/C=C/c3ccco3)C2)Oc2ccccc21 96025569 PGMGOYUKQVINOD-IHHMQQGQSA-N 323.348 2.929 0 40 DFAB COc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1 301693661 ZOUPCHGLWRFZQQ-UHFFFAOYSA-N 316.430 2.751 0 40 DFAB O=C(O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 11852035 YBZQSDNJHKDPFA-QGZVFWFLSA-N 314.360 2.774 0 40 DFAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc1cccc(C)c1 12650173 NZEJTRBFELLKIU-AWEZNQCLSA-N 307.390 2.851 0 40 DFAB Cn1c(C[C@H](O)c2nc3ccccc3n2C)nc2ccccc21 13099149 DXHJCBVZZVOUSN-INIZCTEOSA-N 306.369 2.736 0 40 DFAB in-vitro O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 19405793 NKVCIZKCMAHIHJ-HUUCEWRRSA-N 323.400 2.887 0 40 DFAB C[C@H](NC(=O)c1n[nH]c2c1COc1ccccc1-2)c1ccccn1 19656649 LFYIDCZCBJCAAZ-NSHDSACASA-N 320.352 2.855 0 40 DFAB COCCSc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2)cc1 158416245 SBRFMGQBAXHFOU-XJKSGUPXSA-N 322.474 2.744 0 40 DFAB Cc1csc(NC(=O)c2cccc(N3CCCC3=O)c2)n1 10555206 SVPMOZCRYAIAGE-UHFFFAOYSA-N 301.371 2.831 0 40 DFAB COc1ccc(-c2noc(CN3CCC[C@H](C)C3)n2)cc1OC 15256921 MNRGLLSFDANPDH-LBPRGKRZSA-N 317.389 2.986 0 40 DFAB C[C@@H](Sc1nnnn1C(C)(C)C)c1nc(-c2ccco2)no1 29740208 YEQZKGDWHFMITG-MRVPVSSYSA-N 320.378 2.924 0 40 DFAB Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1Cl 101375959 RBHLOUPRHCNEKG-UHFFFAOYSA-N 324.171 2.645 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1ccc(F)c(F)c1 30318956 FTPLBPXJRUZPIF-UHFFFAOYSA-N 316.351 2.753 0 40 DFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1scnc1C 40534014 FDIFKHAEJVZQEA-GFCCVEGCSA-N 318.398 2.754 0 40 DFAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CN1CCSC1=O 40541227 DXVXETDWILHVQY-LBPRGKRZSA-N 322.430 2.820 0 40 DFAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccco1 32739473 AOJYNJFTJCOUHN-GFCCVEGCSA-N 301.346 2.669 0 40 DFAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)NC(C)(C)C 32883979 RBVMXXLJLYIWQF-JTQLQIEISA-N 310.467 2.933 0 40 DFAB CC(C)(C)c1ccc([C@@H](O)CNC(=O)C[C@H]2CCCO2)cc1 76016777 WSRXCNBYVDAGIE-CVEARBPZSA-N 305.418 2.703 0 40 DFAB OC(C[n+]1cccc2ccccc21)C[n+]1cccc2ccccc21 1669614 LQHANIJETBWMBM-UHFFFAOYSA-N 316.404 2.629 0 40 DFAB N[C@@H](C(=O)O)[C@@H](SCc1ccccc1)c1cccc(O)c1 1708269 LDBOLKFNTXQYTN-CABCVRRESA-N 303.383 2.779 0 40 DFAB COc1ccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 4094194 VIFMFBHTJUIBPY-LESCRADOSA-N 314.429 2.642 0 40 DFAB C[C@@H](SCC(=O)c1ccc(Br)cc1)C(=O)O 6176115 UYJXDQBVTBJTBF-SSDOTTSWSA-N 303.177 2.838 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Cl)n1 6968605 LLTDALDYOAFQFQ-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3C=O)CC2=O)cc1 7928668 AOKLSHCVYDBGPN-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB Cc1ccc(CN(C)Cc2cc(=O)n3cccc(C)c3n2)cc1 8394881 BZTBMWLYAKIVEI-UHFFFAOYSA-N 307.397 2.943 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2CC=CCC2)CC1 47533356 DXZZRJZISALRBP-ZDUSSCGKSA-N 308.422 2.858 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCCC2)cc1N 9606297 YAQCRXUDECAQSD-ZDUSSCGKSA-N 318.417 2.962 0 40 DFAB C[C@H]1CCc2sc(C(=O)NCCc3cnn(C)c3)cc2C1 42729428 XAJQBVUWNJWBDT-NSHDSACASA-N 303.431 2.579 0 40 DFAB CCCc1nnc(S)n1CC(=O)N(C)[C@@H](C)c1cccs1 24236910 VILMXUWQSBIZEY-JTQLQIEISA-N 324.475 2.800 0 40 DFAB CCOC(=O)C(CCc1ccc(OCC)cc1)C(=O)OCC 105431243 QFGTWMIKZFLUGF-UHFFFAOYSA-N 308.374 2.760 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccs1 1399233 LUTFOWHXHOWGNJ-UHFFFAOYSA-N 306.362 2.976 0 40 DFAB Cc1cccc(Cl)c1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 97161891 UHXPYZOBZFSOQO-LLVKDONJSA-N 321.808 2.781 0 40 DFAB CCCCc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102173884 PDBSLNJXIQZOJR-VGWMRTNUSA-N 315.369 2.622 0 40 DFAB Cc1cc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)c(C)s1 25236640 HOVVXGGQHHUUEX-UHFFFAOYSA-N 318.398 2.556 0 40 DFAB CCOc1cc2c(cc1CNC(=O)CCSC)O[C@H](C)C2 25395339 LTNJNSPGOCIWJS-LLVKDONJSA-N 309.431 2.778 0 40 DFAB Cc1ccccc1OCC(=O)NCCCN1CCC(C)CC1 10540197 IUNINKMXBUSLKJ-UHFFFAOYSA-N 304.434 2.612 0 40 DFAB CC(C)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 57448593 ZOXNXTOMFGMLGJ-UHFFFAOYSA-N 307.413 2.745 0 40 DFAB O=C(N[C@@H](C(=O)c1ccccc1)N1CCCC1)c1ccccc1 26967065 MLZBEGMCBWODPL-GOSISDBHSA-N 308.381 2.721 0 40 DFAB Cc1c(C(=O)NCc2ccc(C)n2C)oc2c1C(=O)CCC2 48230833 ARWKVKWJPPDSEI-UHFFFAOYSA-N 300.358 2.684 0 40 DFAB CC(C)N(C)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1F 84597184 WMBDDXDFTMODSA-UHFFFAOYSA-N 303.337 2.611 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1cccnc1N1CCCC1 58102225 URHKBCPTAJQGEW-UHFFFAOYSA-N 300.366 2.666 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(C2CC2)C1 12796669 AVCADKMWMAEXPC-VIFPVBQESA-N 312.291 2.655 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)NCc3cc[nH]n3)s2)o1 44977935 UMMRCKRAXRZHOV-UHFFFAOYSA-N 302.359 2.673 0 40 DFAB CC1=NN(c2ccc(C(=O)NC[C@H](O)c3ccccc3)cc2)CC1 45012060 PVAVDQRTKNYGJR-SFHVURJKSA-N 323.396 2.736 0 40 DFAB O[C@H](CN1CCN(c2ccccc2F)CC1)c1ccccc1F 26897599 YLOZTJQWGNIWHZ-GOSISDBHSA-N 318.367 2.820 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(NCCc2ccccc2)s1 10771313 RODYMGCXJMFAGO-NSHDSACASA-N 321.427 2.600 0 40 DFAB CCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 12813206 PYFPEPAMLYSCDE-UHFFFAOYSA-N 309.369 2.934 0 40 DFAB Cc1ccccc1CNC(=O)NCc1ccc2c(c1)OCCO2 12880389 HJNHAYOEXNSUBW-UHFFFAOYSA-N 312.369 2.766 0 40 DFAB COc1ccc([C@H](NC(=O)CN2CCCCC2)C(C)C)cc1 12877028 UPQSXRGLWVQPNP-GOSISDBHSA-N 304.434 2.994 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12896247 VDYVABAKTVYRMT-PVAVHDDUSA-N 314.429 2.730 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1 12920875 GHULCLNVZADLQV-UHFFFAOYSA-N 323.755 2.751 0 40 DFAB Cn1ccnc1SCC(=O)Nc1nc(C(C)(C)C)cs1 9526062 FQWVVSVOUDDAPR-UHFFFAOYSA-N 310.448 2.905 0 40 DFAB Cc1noc(C)c1C(=O)OCC(=O)N(c1ccccc1)C(C)C 5197993 SBPMNRGVVMMPOO-UHFFFAOYSA-N 316.357 2.890 0 40 DFAB CCOCC(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 13941699 ILVLCEFJXNYQJX-LLVKDONJSA-N 305.403 2.859 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc2c(c1)OCO2 6330473 WRGYCRIUWGMECS-YPMHNXCESA-N 306.431 2.958 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)NC[C@@H]1CC=CCC1 65585126 LJSHJPMOUDRYQL-GFCCVEGCSA-N 319.430 2.742 0 40 DFAB O=C(CCCc1nc2ccccc2s1)Nn1cn[nH]c1=S 14167521 CYOZKLBUMHTBFT-UHFFFAOYSA-N 319.415 2.643 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)c1 71185420 TZQBUATZXTVBEO-ZDUSSCGKSA-N 300.362 2.534 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c(C)c1C 96409744 IMNQVGVEOSIRGC-UHFFFAOYSA-N 323.418 2.890 0 40 DFAB CCN(C(=O)COC(=O)c1cccc(OC)c1)c1ccccc1 6950687 WZOWGOWMSLGBIS-UHFFFAOYSA-N 313.353 2.905 0 40 DFAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC(=O)NC(C)(C)C 7059776 KHMJGOSHCYNHBB-VIFPVBQESA-N 320.418 2.668 0 40 DFAB COc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 15470343 GYIXSIVGEZDUMS-GOSISDBHSA-N 310.397 2.805 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2C(C)C)c1 16453112 IRKAJQFQGZQIRU-LLVKDONJSA-N 305.407 2.682 0 40 DFAB CC1CCN(C[C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)CC1 70015295 ICCYJXBBCFSXOK-HNNXBMFYSA-N 318.465 2.891 0 40 DFAB Cc1cccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cccc(C(N)=O)c2)c1 69517613 CNZMTGMJCUTYKR-MSOLQXFVSA-N 322.408 2.856 0 40 DFAB Cc1nc(C)c([C@@H](C)NC(=O)CN2CCc3ccccc32)s1 69567224 NAVBRWWTJAYBJR-GFCCVEGCSA-N 315.442 3.000 0 40 DFAB COc1ccccc1/C=C/CN1CCS[C@@H]2COCC[C@@H]21 91856145 WDNMSOWQUOFRBF-BWTRYIQHSA-N 305.443 2.915 0 40 DFAB CCC(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C 69770276 SHRALBASTGBMTP-UHFFFAOYSA-N 315.373 2.952 0 40 DFAB Cc1cccc(NC[C@H]2CCN(Cc3nnc(C4CC4)o3)C2)n1 97200556 HEJSGSQUZBFMSE-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB CC(C)(NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1 69811978 SVEJEWSYTQPMAZ-LLVKDONJSA-N 315.200 2.623 0 40 DFAB COc1ccc(-c2nc(CN3CCOCC3(C)C)co2)cc1 71824782 OBIGEWIDKUILPP-UHFFFAOYSA-N 302.374 2.961 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2cccnc2)CC1 71824420 YXZPZQVXOPRJSD-MOPGFXCFSA-N 321.424 2.530 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)NCCC(=O)N2CCCC2)c1 71885910 CTDBJOHVINGFNC-HNNXBMFYSA-N 317.433 2.676 0 40 DFAB C[C@@H](CCNC(=O)c1cscn1)N(C)C(=O)OC(C)(C)C 95395410 NYGNBTKHFMWZIF-JTQLQIEISA-N 313.423 2.518 0 40 DFAB CCCC[C@H](NCc1c(C)noc1C)C(=O)Nc1cc(C)on1 71902593 OYZOBZXBRMRDOE-AWEZNQCLSA-N 320.393 2.875 0 40 DFAB C[C@@H](C(=O)N(C)[C@H](C)c1cccs1)n1nnnc1C(C)(C)C 95465179 XWCKRQAEJZGIGX-MNOVXSKESA-N 321.450 2.813 0 40 DFAB COC(=O)[C@@H](c1ccc(F)cc1)n1c(=O)sc2ccccc21 95425973 PTZCDXAAZPWOAW-CQSZACIVSA-N 317.341 2.965 0 40 DFAB CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCSC(C)(C)C)C1 95996332 UFRRAEJQTYEDEV-KBPBESRZSA-N 313.511 2.644 0 40 DFAB COC(=O)N1CC[C@@H](N[C@@H](C)c2cc3cccc(OC)c3o2)C1 95988072 PCNPBLYRKJDZAU-WCQYABFASA-N 318.373 2.933 0 40 DFAB COc1ccc([C@@H](C)NC(=O)CCC2CCNCC2)cc1OC 95957710 NUTXPBOZCZDBOX-CYBMUJFWSA-N 320.433 2.661 0 40 DFAB Cc1cc(CNC(=O)NC[C@H]2CCC[C@@H](O)C2)ccc1Cl 95939521 YPSBOGKSJCYXJN-GXTWGEPZSA-N 310.825 2.999 0 40 DFAB C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)[C@@H](O)c1ccccc1 95979553 JYFWMKVLBXMHNH-XWIAVFTESA-N 311.381 2.571 0 40 DFAB CC(C)c1n[nH]c(=S)n1CCNC(=O)C1C(C)(C)C1(C)C 74260966 HZXFQRDWBGHZMM-UHFFFAOYSA-N 310.467 2.862 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1c1ncnc2[nH]cnc12 75094113 SAGXHBCIVFWFKF-ZDUSSCGKSA-N 309.373 2.573 0 40 DFAB CCc1cccc(N(C#N)CC(=O)NCc2ccc(F)cc2)c1 75107677 UVQDXUPAYQPTBM-UHFFFAOYSA-N 311.360 2.992 0 40 DFAB C[C@H](CC(=O)N1CCC(c2cc(C(=O)O)on2)CC1)C1CC1 1548597151 IYWWEFKABHWZSO-SNVBAGLBSA-N 306.362 2.515 0 40 DFAB COc1cc2c(c(OC)c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 1686846 MWHNXEIHKZWYAX-LBPRGKRZSA-N 316.309 2.822 0 40 DFAB biogenic,in-vitro O=C(O)C1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1 36359872 CDEIXVUWMWBMHI-UHFFFAOYSA-N 320.776 2.618 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241844 CSJXRXXHQHYOOM-GDBMZVCRSA-N 306.381 2.604 0 40 DFAB CC(C)n1nccc1NC(=O)[C@H](C)Nc1cnn(C(C)(C)C)c1 186266892 VEQTULABOLMLNQ-LBPRGKRZSA-N 318.425 2.855 0 40 DFAB CCOc1ccc(NC(=O)NC(=S)c2cccnc2)cc1 33771101 ZUMAJOAEMXUVQV-UHFFFAOYSA-N 301.371 2.978 0 40 DFAB Cc1nc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)sc1C 183167831 KZKJIKRYIQZDQC-ZDUSSCGKSA-N 319.434 2.920 0 40 DFAB CCOCc1cccc(S(=O)(=O)Nc2ncc(C)s2)c1 72241245 CIPQKZSSNGCFBH-UHFFFAOYSA-N 312.416 2.789 0 40 DFAB Cc1cc(Cl)nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 72203362 DGYZPSITRKMKSE-JTQLQIEISA-N 312.801 2.860 0 40 DFAB Cn1nc2c(c1CNC(=O)c1ccccc1C(F)(F)F)CCC2 225817225 KQWUQUPBSZHIAV-UHFFFAOYSA-N 323.318 2.858 0 40 DFAB C[C@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)n1cccn1 567582735 YFGWXGLBIIHUQI-CRAIPNDOSA-N 313.401 2.608 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(F)cc1 42646110 ZRFXAGFTTPYADN-UHFFFAOYSA-N 304.296 2.528 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 44110443 YOMFPQXGKOPCJH-IUODEOHRSA-N 319.405 2.972 0 40 DFAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC[C@H]1CCCO1 224340395 VUYKMLZRRKUAKZ-UKRRQHHQSA-N 303.402 2.628 0 40 DFAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccccc1 222744947 IUHSIDDBTKBWDR-INIZCTEOSA-N 324.424 2.783 0 40 DFAB CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C 225698534 QLGRIYMNQCJZRJ-OAHLLOKOSA-N 304.434 2.771 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)CC1=CCCCC1)C2 96039188 FFBUXBPAIVVTKC-WMZOPIPTSA-N 307.434 2.921 0 40 DFAB C[C@@H](O)[C@H]1CCN(C(=O)NCCc2csc3ccccc23)C1 97372701 QDQGGOWLIUVLEV-OLZOCXBDSA-N 318.442 2.856 0 40 DFAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1cccnc1)COC3 96112830 MFLXFMKGOHKZJO-HNNXBMFYSA-N 308.385 2.601 0 40 DFAB biogenic,in-vitro CO[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437561 JVPLDKVTICOKQD-DLBZAZTESA-N 319.449 2.505 0 40 DFAB COc1ccc(CN2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cc1 96042065 CCRUYDYTQSVQSN-GBESFXJTSA-N 317.429 2.854 0 40 DFAB CCCCSCCC(=O)N1CCc2ccccc2[C@H]1C(N)=O 96417020 PXGLHWXUAOQAJL-INIZCTEOSA-N 320.458 2.521 0 40 DFAB Cc1cc(CNC(=O)c2ccc(F)c(COCC3CC3)c2)no1 96430698 PESUBTLLZBUWCZ-UHFFFAOYSA-N 318.348 2.979 0 40 DFAB Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1C(C)C 96441017 MGHAUFWYCRNNGX-UHFFFAOYSA-N 310.463 2.674 0 40 DFAB O=C(Cc1ccc(F)c(F)c1)N1CCc2ccccc2[C@H]1CO 97097715 AEWYXLAVDFKAHZ-QGZVFWFLSA-N 317.335 2.626 0 40 DFAB Cc1ccc(NC(=O)NCc2ccccc2OCCO)s1 96441323 JDJOEJGMRGCNKJ-UHFFFAOYSA-N 306.387 2.749 0 40 DFAB O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1COCCO1 96408113 YSDGKLMAYZUTKX-CABCVRRESA-N 317.410 2.564 0 40 DFAB Cc1nc(CN2CC[C@@H]3OCCN(CC4CC4)[C@@H]3CC2)cs1 247942077 HAPMRTRXUGUEQB-SJORKVTESA-N 321.490 2.527 0 40 DFAB Cc1cnc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)cn1 257251761 JSCJSXIDOYYKPN-IBGZPJMESA-N 323.396 2.634 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1c1cnccn1 257305623 SQUYELVCPTYKGQ-OAHLLOKOSA-N 313.405 2.550 0 40 DFAB Cc1ccc2oc(=O)cc(N3C[C@H]4C[C@H]3c3cccc(=O)n34)c2c1 252444320 CKSHUQPBYBBCNM-WBMJQRKESA-N 320.348 2.769 0 40 DFAB O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 252483897 FKUPNXDBIXVDIH-NPTZWOEGSA-N 321.804 2.806 0 40 DFAB CC(C)[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 390835755 XKQRGPHUHQQJKW-OAHLLOKOSA-N 322.372 2.640 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)ccc1C(N)=O 58192260 AKVYXOXWKAFRLJ-GWCFXTLKSA-N 324.808 2.513 0 40 DFAB COc1ccc([C@H]2C[C@H]2C(=O)NCC(C)(C)CN(C)C)cc1 69509192 UBWMORZYRNHNCS-HZPDHXFCSA-N 304.434 2.503 0 40 DFAB O=C(CSCc1ccco1)NCc1ccc2c(c1)OCO2 151779 KPNWEKUIQHZILV-UHFFFAOYSA-N 305.355 2.558 0 40 DFAB CCc1ccccc1N1C[C@H](C(=O)Nc2cnccc2C)CC1=O 104452167 JUNYSDKALIOEJI-OAHLLOKOSA-N 323.396 2.944 0 40 DFAB C[C@H](CNC(=O)c1c(F)cccc1Cl)CC1(C)OCCO1 96418594 YFJLEBNYCHVZME-JTQLQIEISA-N 315.772 2.998 0 40 DFAB COC(=O)c1cc2[nH]cc(I)c2cc1F 1083805762 ZRMNFMBMEOQSOS-UHFFFAOYSA-N 319.073 2.698 0 40 DFAB Cn1ncc2c1CCc1sc(NC(=O)c3cccs3)nc1-2 19289623 YJQLZQAGKLZBOR-UHFFFAOYSA-N 316.411 2.956 0 40 DFAB Cn1ccc(NC(=O)Nc2cccc(Cl)c2-n2cccn2)n1 156664862 NWCCPJWAEVLCLK-UHFFFAOYSA-N 316.752 2.903 0 40 DFAB O=C(Nc1c(F)cccc1F)N1CC(COc2cccnc2)C1 1776001869 OSQDKXSIFAXVKN-UHFFFAOYSA-N 319.311 2.903 0 40 DFAB O=C1CSc2sc3c(=O)n(C4CCCC4)cnc3c2N1 27562760 NIAHRARHOYYQCD-UHFFFAOYSA-N 307.400 2.617 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 2086875441 HJJLKLULENLTQN-LBPRGKRZSA-N 304.438 2.515 0 40 DFAB COc1cccc(-c2nn3c(C4CC4)nnc3s2)c1OC 36358427 QVFAQIUOGIOTCX-UHFFFAOYSA-N 302.359 2.747 0 40 DFAB CN(C)c1ncccc1NC(=O)COc1ccccc1Cl 40088410 GBBWRKOSQZLHFQ-UHFFFAOYSA-N 305.765 2.819 0 40 DFAB CC[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1OC(F)F 31757137 GHEQIBBEBZUOFV-SNVBAGLBSA-N 323.299 2.665 0 40 DFAB COc1ccccc1-c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)no1 40512444 OMXADFISZWKXSQ-VXGBXAGGSA-N 316.357 2.600 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccn2)c1 40523767 YAIIIXHETGSFSO-UHFFFAOYSA-N 303.749 2.623 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(F)cc2)CC1 51182475 FSAOBAYSHBCUKW-LBPRGKRZSA-N 316.380 2.969 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)NC1CCN(C2CC2)CC1 32752794 LCFJXQWBRMIMRC-UHFFFAOYSA-N 311.429 2.844 0 40 DFAB O=C(C[C@H](NCc1cccnc1)C(=O)O)c1ccc(Cl)cc1 42657 AKJSULODCDBQFB-AWEZNQCLSA-N 318.760 2.551 0 40 DFAB CC(C)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C 412992 AIIIGKXOTNCEHY-UHFFFAOYSA-N 308.382 2.808 0 40 DFAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CC1 2649745 LLQJLCVAPXXDMP-UHFFFAOYSA-N 311.337 2.914 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(F)cc1 8761898 ZAWZADDTYWZCBA-BDJLRTHQSA-N 301.317 2.670 0 40 DFAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C(F)(F)F 7387631 DUUVPHJBSKMINI-UHFFFAOYSA-N 308.687 2.677 0 40 DFAB O=C(CC[C@@H]1CCCO1)Nc1ccc(OCC(F)(F)F)nc1 46931580 LEGSVSMYPDMQQQ-NSHDSACASA-N 318.295 2.920 0 40 DFAB Brc1ccccc1Cn1nnc(-c2cccnc2)n1 12375619 AIYWAWAGGRORDU-UHFFFAOYSA-N 316.162 2.546 0 40 DFAB CCC[C@@H](C)NC(=O)Cn1c(S)nnc1-c1cccc(C)c1 24463641 HPBDSJHSQMBURZ-GFCCVEGCSA-N 318.446 2.847 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C)cn3)CC2=O)cc1 24746077 DTTXUJUZWGLHRC-INIZCTEOSA-N 323.396 2.686 0 40 DFAB CN(C)c1ccc(CCC(=O)Nc2ccc(N(C)C)nc2)cc1 22327166 ZUERRPHJLDRPND-UHFFFAOYSA-N 312.417 2.785 0 40 DFAB c1coc([C@@H](CNc2ncnc3[nH]ncc23)N2CCCCC2)c1 12556509 GEPVESMCLVZOMU-CYBMUJFWSA-N 312.377 2.585 0 40 DFAB CCS(=O)(=O)c1ccc(NCc2nc(C(C)C)no2)cc1 55830535 OVGHQQJPZXXBQL-UHFFFAOYSA-N 309.391 2.599 0 40 DFAB C[C@@H]1CCCC[C@H]1OCC(=O)NCc1nc2ccccc2n1C 71903340 QHHPPYFCJXPDKQ-CZUORRHYSA-N 315.417 2.785 0 40 DFAB CCn1c(CN(C)C(=O)CC[C@@H]2CCCO2)nc2ccccc21 58295349 BZZCUWVDOMIVGN-AWEZNQCLSA-N 315.417 2.974 0 40 DFAB COc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1O 58232420 MFVXBRBIXUTKLS-HNNXBMFYSA-N 307.777 2.877 0 40 DFAB Cc1cc([C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(C)C)c(C)s1 71911227 SELFJNIMFSVHTC-OCCSQVGLSA-N 317.476 2.770 0 40 DFAB C[C@H]1CN(C(=O)NCc2nc(-c3ccccc3)cs2)CCO1 58291714 YOWXUXMWBWWRBP-LBPRGKRZSA-N 317.414 2.740 0 40 DFAB CN(c1ccccc1)C1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 58218118 XINHVAZBHASQIR-CMDGGOBGSA-N 324.428 2.561 0 40 DFAB O=C(NCCOc1cccc(F)c1)c1ccc2c(c1)CCO2 27721757 WWYMVECCEVKROX-UHFFFAOYSA-N 301.317 2.569 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2c(C)noc2C(C)C)n1 44953347 BITQYJXNZBMTIB-NSHDSACASA-N 318.421 2.986 0 40 DFAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCSCC1 44954997 MGOCRZOAGAPQOG-UHFFFAOYSA-N 313.806 2.690 0 40 DFAB NC(=O)c1cnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 24991400 IYYYWQIQJVVFLH-UHFFFAOYSA-N 315.276 2.513 0 40 DFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccco2)c1 48333095 MPVAZUQEOUZJRR-GFCCVEGCSA-N 300.358 2.738 0 40 DFAB C[S@](=O)c1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1 29270325 WKBQBKWJGYGIOU-OAQYLSRUSA-N 303.383 2.822 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2cccs2)CN1CC1CC1 46149412 KZMQCTRGUUCXOK-UONOGXRCSA-N 318.442 2.670 0 40 DFAB Cc1ccc(NC(=S)N2CCC[C@H](C(N)=O)C2)cc1Cl 3436965 JCQKFPIGZRUHQA-JTQLQIEISA-N 311.838 2.543 0 40 DFAB CSc1ccccc1C(=O)NCc1cc(C(=O)O)c(C)o1 38059789 BUGZOBALYZMWEY-UHFFFAOYSA-N 305.355 2.938 0 40 DFAB C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1 12985211 AIOLYVNUZWVGEO-CYBMUJFWSA-N 313.405 2.565 0 40 DFAB CC(C)c1ccccc1OCC(=O)Nc1cccc(C(N)=O)c1 9602565 HENFTONSRWFMAJ-UHFFFAOYSA-N 312.369 2.926 0 40 DFAB CN(Cc1ccccn1)C(=O)c1cc(Br)ccc1O 49041506 LAHALHKZXYGOFP-UHFFFAOYSA-N 321.174 2.822 0 40 DFAB CCCOCc1nn(CCC)cc1I 408717399 ZNFFYTYIYXUZOL-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cscn1)C(=O)O 4241223 DNMGYWKAZJXMSV-AWEZNQCLSA-N 312.391 2.540 0 40 DFAB COc1cc(Br)c(CNC(=O)C(C)C)cc1OC 71185868 IDCOOINAJRHBPH-UHFFFAOYSA-N 316.195 2.739 0 40 DFAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2 9046226 MAGZUPKRSWAPJT-CQSZACIVSA-N 305.337 2.706 0 40 DFAB C[C@@H]1CCCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C1 6384259 GWUQQWRWHHSOOM-CYBMUJFWSA-N 314.385 2.512 0 40 DFAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 14086116 FLKASMHBJFNCJN-GMTAPVOTSA-N 314.788 2.915 0 40 DFAB C[C@H](NC(=O)COc1ccc2c(c1)OCCO2)c1ccccc1 14017963 QHMUETDVMSCWIY-ZDUSSCGKSA-N 313.353 2.714 0 40 DFAB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1CC2)C(N)=O 5303414 PXIXQYWUAQPBQS-VIFPVBQESA-N 301.367 2.544 0 40 DFAB CCC[C@H]1NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O 14112429 NIIGODULTZEVAD-OAHLLOKOSA-N 304.390 2.793 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccco1 6558605 BRJDQSADSSAWIO-UHFFFAOYSA-N 322.748 2.619 0 40 DFAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 4807245 YSKMRHDKJFUJFW-RKOMOGNESA-N 316.357 2.648 0 40 DFAB CCOCC[C@@H]1CCOC12CCN(C(=O)C1=CCCC1)CC2 306132770 LRTYFPQIJBAFIQ-MRXNPFEDSA-N 307.434 2.921 0 40 DFAB O=C(Cn1nnc(-c2cccc(F)c2)n1)c1ccccc1F 7149170 YRCPCYXLVYAUAL-UHFFFAOYSA-N 300.268 2.501 0 40 DFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccccn1 7988895 FYQKWVDQDGTUAD-UHFFFAOYSA-N 312.329 2.777 0 40 DFAB CN(C)CCn1ccc2ccc(NC(=O)[C@H]3CCCOC3)cc21 96443718 HIRBPXSSAHIRJP-HNNXBMFYSA-N 315.417 2.568 0 40 DFAB O=C([C@H]1CCCO1)N1CCN(CC(F)(F)F)c2ccccc21 96445098 UCDXDQBVRHMLEO-CYBMUJFWSA-N 314.307 2.581 0 40 DFAB CC(C)N1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 69726703 CVQUZENBYATLCD-MRXNPFEDSA-N 317.433 2.636 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 9576242 AGSYBSWAQVPZCC-DOMZBBRYSA-N 304.390 2.737 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOc1ccc(F)cc1 69983054 QLWASTUMNLWALK-QZTJIDSGSA-N 320.408 2.680 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCN(C)CC3)c2cc1C(C)C 84128985 HMJMDFRGADPHNE-UHFFFAOYSA-N 314.429 2.972 0 40 DFAB CN(CC(=O)NC1CC1)Cc1c(Cl)cccc1N1CCCC1 97033820 LUGRDKHVWSGCJD-UHFFFAOYSA-N 321.852 2.651 0 40 DFAB CS(=O)(=O)Cc1nc(CSCc2ccccn2)cs1 97037581 NSKQZKLVGNTQRA-UHFFFAOYSA-N 314.457 2.516 0 40 DFAB CC[C@H](O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97082936 NDKXTPMLNVDYBO-KBPBESRZSA-N 303.324 2.850 0 40 DFAB Cc1cc(C(=O)NCC2CCCC2)nc(N2CCCCC2)n1 72239803 JIRBTIPGKAPHHB-UHFFFAOYSA-N 302.422 2.695 0 40 DFAB CCN1CCCC[C@@H]1CNc1cc(-c2nc(C)no2)ccn1 84789200 YKLNHCOGVIKHCT-CQSZACIVSA-N 301.394 2.726 0 40 DFAB OC[C@@H]1CCC[C@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 95403286 BJKNXGMCXNDLQL-DZGCQCFKSA-N 310.401 2.600 0 40 DFAB Cc1nc(N2CCCC2)ccc1NS(=O)(=O)CCC1CC1 95941024 WJTANOQLZJDNRY-UHFFFAOYSA-N 309.435 2.532 0 40 DFAB C[C@]1(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)CCOC1 95975317 XDUZPUXMTSJKBN-AWEZNQCLSA-N 310.304 2.732 0 40 DFAB CC[C@H]1CN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCS1 187695222 YWISUGUYDFBLDO-JSGCOSHPSA-N 313.488 2.979 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)c2noc3c2CCCC3)o1 89652797 RHOYLZWLZFNDKD-CYBMUJFWSA-N 316.357 2.669 0 40 DFAB Cc1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cn1 89652183 UZNPZXWNFGWTLL-SFHVURJKSA-N 310.397 2.864 0 40 DFAB Cn1cnc2cc(NC(=O)c3cnc4ccccc4n3)ccc21 75326560 RVGNHAOTIMBKEZ-UHFFFAOYSA-N 303.325 2.769 0 40 DFAB O=c1ccc(C(F)(F)F)nn1Cc1ncc(-c2ccccc2)o1 89851251 CMAWJOQDTBQTPI-UHFFFAOYSA-N 321.258 2.965 0 40 DFAB CCn1cc(C(=O)NC2CC2)c(=O)c2cc(C(F)(F)F)ccc21 22236643 CGCJSDFPRRHJMA-UHFFFAOYSA-N 324.302 2.932 0 40 DFAB CCCOc1ccc(N2C[C@@H](C(=O)N[C@@H](C)CC)CC2=O)cc1 408708472 QMNQYTYGEHQMBV-KBPBESRZSA-N 318.417 2.743 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)NC[C@@H]2CCOC2)c1 78611633 METXWCBHUZQEDG-LBPRGKRZSA-N 308.378 2.640 0 40 DFAB Cc1c(Br)c(C(=O)Nc2ccccc2F)nn1C 32611556 FHYYJLCLYHFUGX-UHFFFAOYSA-N 312.142 2.882 0 40 DFAB COc1ccccc1[C@@H](NC(=O)C=C(C)C)c1noc(C)n1 70983320 ZVUUONRUNOOZQM-OAHLLOKOSA-N 301.346 2.558 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)s1 78032316 ZUZHDNUOESIWTK-BXKDBHETSA-N 321.427 2.671 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2F)cc1 72228095 FPTQCFNPYJTLFU-HOTGVXAUSA-N 300.333 2.640 0 40 DFAB CCc1nnc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)s1 226748833 QLTLFVBDIYBPLZ-LLVKDONJSA-N 319.386 2.688 0 40 DFAB CCc1nc(CNC(=O)c2cn(-c3ccccc3)cn2)cs1 226754139 RDXVMYRXGZRZGS-UHFFFAOYSA-N 312.398 2.821 0 40 DFAB c1csc(-c2nccn2Cc2noc(C3CCOCC3)n2)c1 191745243 ULWRCVHVCBXLAV-UHFFFAOYSA-N 316.386 2.937 0 40 DFAB CC(C)N(C)c1ccccc1CNC(=O)NCc1ccccn1 195572199 CMFIWGOOXYKHOE-UHFFFAOYSA-N 312.417 2.926 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2F)o1 49911750 LHYGABLOLGXWTR-LBPRGKRZSA-N 303.289 2.775 0 40 DFAB Brc1ccccc1-c1noc(C2CCNCC2)n1 43560551 DLLRJBZFTUABMQ-UHFFFAOYSA-N 308.179 2.966 0 40 DFAB Cc1cc(C)c(NC(=O)c2cc(N3CCOCC3)on2)c(C)c1 224080509 WNMFHYONVGOZKC-UHFFFAOYSA-N 315.373 2.689 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Cl)nn2)C1 40434772 DFHWCEHEMZTIJI-SNVBAGLBSA-N 312.801 2.941 0 40 DFAB COc1ccc([C@@H](CC(=O)O)CC(=O)N2CCC(C)CC2)cc1 226750606 IYXFLSGLJWYUEH-OAHLLOKOSA-N 319.401 2.902 0 40 DFAB C[C@@]1(C(=O)Nc2nccs2)CC(c2ccc(F)cc2)=NO1 226747375 HZNUBYXEAYMHBR-AWEZNQCLSA-N 305.334 2.804 0 40 DFAB Cc1ncsc1CN1C[C@@H]2CCCO[C@@H]2[C@H](N(C)C(C)C)C1 96040592 UZVUVTWASZJZSS-UXLLHSPISA-N 323.506 2.771 0 40 DFAB CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 96420304 VCYMMXGVEASLOR-DZGCQCFKSA-N 318.417 2.857 0 40 DFAB CC(C)(C)c1ccc(C(=O)OC[C@@H]2CCCN2C(N)=O)cc1 96442211 HFJRVPKKWBPJQV-AWEZNQCLSA-N 304.390 2.684 0 40 DFAB Cn1ccnc1CN1CCC2(CC1)CCN(Cc1ccoc1)C2 96157439 JZCFBTSOTCWHAW-UHFFFAOYSA-N 314.433 2.501 0 40 DFAB O=C1CCC2(CCN(c3ccccn3)CC2)N1Cc1cccnc1 96228147 VNHCKFDEBUIWNM-UHFFFAOYSA-N 322.412 2.638 0 40 DFAB Cc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1F 92091027 XOAHGWQMGJLVPT-HNNXBMFYSA-N 306.425 2.819 0 40 DFAB O=C(NCC[C@H]1CCCCO1)NC[C@@H]1CCOc2ccccc21 96500148 MNGAEEOHCPYUEL-LSDHHAIUSA-N 318.417 2.811 0 40 DFAB Cc1nc([C@H]2COCCN2Cc2ccc3c(c2)OCO3)cs1 96220497 CEBTVMJYAVKIDY-CQSZACIVSA-N 318.398 2.754 0 40 DFAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccs1 96184564 CMAHBCSSKGZJMQ-KGLIPLIRSA-N 319.455 2.694 0 40 DFAB OCCN(Cc1ccc(Br)c2cccnc12)C1CC1 96497159 DTLUCVQPHQZTLA-UHFFFAOYSA-N 321.218 2.954 0 40 DFAB Cc1ccsc1CNC(=O)COc1cccc([C@H](C)O)c1 96475844 DPEAOZILMMUALE-LBPRGKRZSA-N 305.399 2.805 0 40 DFAB Cc1c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cnn1C 96490897 APPDXQADFSLYAR-GJZGRUSLSA-N 319.792 2.642 0 40 DFAB CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ccn2)C1 96455794 MOJOAXBDJRYJNE-MNOVXSKESA-N 322.352 2.868 0 40 DFAB c1cncc(N2CCCC3(CCN(C[C@@H]4CCCO4)CC3)C2)c1 96071837 NUNRRTJDYIWMLV-SFHVURJKSA-N 315.461 2.943 0 40 DFAB Cc1nn(C)c(C)c1C(=O)Nc1nc2cc(Cl)ccc2n1C 96403417 LDWZLMHAAYJRCL-UHFFFAOYSA-N 317.780 2.829 0 40 DFAB Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCOC2)cc1 95409895 GWLXOEOAEZAQMO-XJKSGUPXSA-N 313.401 2.785 0 40 DFAB Cc1nn(C)c2sc(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc12 245344154 XWCHMDVLSKEDAX-ZWKOPEQDSA-N 320.414 2.914 0 40 DFAB Cc1csc(C(=O)N2CCO[C@H](c3ccnc(C)c3)C2)c1 257297454 RHHUYRBVPKAKRM-AWEZNQCLSA-N 302.399 2.974 0 40 DFAB O=C(NCCCn1ccnc1)N1CCCc2ccc(F)cc21 42895386 WOGPMKMWYNVXQF-UHFFFAOYSA-N 302.353 2.575 0 40 DFAB CCC(=O)N1CCC[C@](C)(c2ccc3c(C)nn(C)c3n2)C1 257243358 IGPAGQLSRIFODO-KRWDZBQOSA-N 300.406 2.567 0 40 DFAB CC(C)CC(=O)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257220707 DLUCLGAZGMTAMB-QGZVFWFLSA-N 316.445 2.977 0 40 DFAB Cc1c(C(=O)N2CC[C@]3(CCCO3)C(=O)C2)oc2ccccc12 585288619 FRLNMAVQONWOGS-GOSISDBHSA-N 313.353 2.705 0 40 DFAB C[C@H]1CCCCN1C(=O)Nc1cccc(N2CCNC2=O)c1 47894268 XKELZZCSDHKWRK-LBPRGKRZSA-N 302.378 2.623 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1nc(C)c(SC)s1 58342762 ZBFMRVPRAVZHOC-SECBINFHSA-N 304.437 2.554 0 40 DFAB CN(C)C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304405 WQBDOAZKFBIMPK-UHFFFAOYSA-N 317.366 2.553 0 40 DFAB Cc1ccc(-c2cnn3c(O)cc(-c4cnccn4)nc23)cc1 19212978 RBHAGGONCZEZLH-UHFFFAOYSA-N 303.325 2.867 0 40 DFAB Cc1cc(C)n([C@@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1 19573059 MMZFLIRCMSJTHH-IRXDYDNUSA-N 320.481 2.688 0 40 DFAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1O 9709583 GETPXTOXLDMGQV-UHFFFAOYSA-N 321.340 2.633 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 27337569 UEADEPVBIDPPMM-KBPBESRZSA-N 312.413 2.802 0 40 DFAB C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccn1 31257049 SUCXPWFZEHRYLV-LBPRGKRZSA-N 316.405 2.962 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1cc(-c2cccs2)on1 38753993 VUYDNRMBCGLKSB-UHFFFAOYSA-N 317.370 2.867 0 40 DFAB O=S(=O)(NCc1cncc(-c2ccco2)c1)c1cccs1 575618304 LDPVZDPACJLOLT-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1 30568869 JRWLRCIEHTVMAH-SNVBAGLBSA-N 303.387 2.959 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1scnc1C 40530137 TZPYWQMCCWTVFQ-UHFFFAOYSA-N 304.371 2.843 0 40 DFAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3CC3)ccc21 60319283 RZKAKFBXKWNIBA-UHFFFAOYSA-N 313.401 2.858 0 40 DFAB CCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 211515 OZLZAODAGICLJD-UHFFFAOYSA-N 309.325 2.574 0 40 DFAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NC1CCCCC1 303758 BAZQSVUCSRDRHC-UHFFFAOYSA-N 315.339 2.840 0 40 DFAB C[S@](=O)c1ccc(NC(=O)[C@H]2COc3ccccc32)cc1 76066147 LVAAHRPQOHARNT-LHSJRXKWSA-N 301.367 2.539 0 40 DFAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1 32912589 WTMBGFRYMXVUIB-CQSZACIVSA-N 310.275 2.959 0 40 DFAB COc1ccc(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1 1328454 SHXCDTLPCRCRDV-GFCCVEGCSA-N 311.337 2.692 0 40 DFAB O=c1c2sccc2[nH]c(=S)n1CCCN1CCCCC1 425430 UIAOXINQQDMNRF-UHFFFAOYSA-N 309.460 2.997 0 40 DFAB O=c1[nH]c(-c2nnc[nH]2)nc2scc(-c3ccc(F)cc3)c12 102747834 YJGUQDIZIZVHKG-UHFFFAOYSA-N 313.317 2.576 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)N1 69819408 UEZJDPODXHNROC-HOCLYGCPSA-N 320.820 2.966 0 40 DFAB CCn1cnnc1C1CCN(C(=O)/C=C/c2ccsc2)CC1 69896269 KMRPETJWBGNBOA-ONEGZZNKSA-N 316.430 2.779 0 40 DFAB O=C(O)/C=C/C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 502299 MPLOBVIJZHFITH-BQYQJAHWSA-N 307.309 2.581 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2n1 101639398 XYRPFHDEFRNJCD-YJNKXOJESA-N 312.417 2.901 0 40 DFAB CCOc1ccc(NC(=O)C2(C(=O)NC3CC3)CCC2)cc1C 69894636 WFYOZUWBQGSAEQ-UHFFFAOYSA-N 316.401 2.781 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cccnc2)ccc1Cl 10042322 HKEPJMGZNZAYQW-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1C 8264991 JMZIXURETMVDFN-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1 25157718 JESYOVHVFOMDTA-LBPRGKRZSA-N 308.341 2.878 0 40 DFAB COc1ccc(CCNC(=O)CSc2ccccn2)cc1 12591865 VTJITRJQJPVPBE-UHFFFAOYSA-N 302.399 2.541 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@@H]([C@@H](C)O)C1 97107976 GKLDWNWKXCMQCL-DJIMGWMZSA-N 304.434 2.728 0 40 DFAB Cc1cccc(C2(C(=O)N(C)Cc3cccc(C(N)=O)c3)CC2)c1 56134306 DTWFUQWVUZCZQI-UHFFFAOYSA-N 322.408 2.784 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N(C)Cc1ccsc1 44178268 DZAWBXSYGNCJME-UHFFFAOYSA-N 317.414 2.701 0 40 DFAB CCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100868345 VDZWYPVSRJYARL-OKILXGFUSA-N 301.342 2.682 0 40 DFAB COc1cccc(CNCC(=O)Nc2ccc(C)cc2F)c1 58166983 SCGBAVPALSIOAD-UHFFFAOYSA-N 302.349 2.871 0 40 DFAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 58245206 IOMDFJQXZPVOFK-QGZVFWFLSA-N 309.413 2.724 0 40 DFAB CC(C)NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 58245459 ZTEAJNNTYBLSSQ-UHFFFAOYSA-N 310.810 2.758 0 40 DFAB O=C(CC1CCCCC1)NCC(=O)Nc1ccc2[nH]ncc2c1 58226151 NHJPTFGQZMXRQX-UHFFFAOYSA-N 314.389 2.588 0 40 DFAB C[C@H](NC(=O)Cc1csc(-c2ccco2)n1)[C@H]1CCCO1 27896937 SXXFWBSKUNICBR-CMPLNLGQSA-N 306.387 2.629 0 40 DFAB C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)NC1CC1 12757120 MNBKCUGMUACKMB-CYBMUJFWSA-N 301.386 2.709 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(C(N)=O)cc2)C1(C)C 58403982 PVWLLTDJPZAZMA-GJZGRUSLSA-N 300.402 2.640 0 40 DFAB C[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)N1CCCC1 42227162 SWLZXDJIIUZJNI-ZDUSSCGKSA-N 302.397 2.790 0 40 DFAB Cc1nc(C(=O)NCc2ccccc2)nn1-c1ccc(F)cc1 12772114 PFWXTKUDPDWOFA-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCOc1ccccc1F 12773319 GXMKXPQWGHDIKV-GOEBONIOSA-N 322.424 2.831 0 40 DFAB CC[C@@H]1CO[C@@H](C)CN1Cc1nc(-c2ccc(OC)cc2)no1 12985660 QFDZKZJEMHWWLB-GXTWGEPZSA-N 317.389 2.745 0 40 DFAB Cc1cccc(N2C[C@@H](c3noc(-c4ccccn4)n3)CC2=O)c1 49060340 CENHASYQQSVJIQ-ZDUSSCGKSA-N 320.352 2.961 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1 4008885 ZMEMGCNZTHHVPD-FQPOAREZSA-N 320.186 2.985 0 40 DFAB CCc1nc(NN2CCN(C)CC2)c2oc3ccccc3c2n1 5195040 CAJCGMFZHKRAOV-UHFFFAOYSA-N 311.389 2.513 0 40 DFAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc[nH]2)N3)C1 6205614 CXNQFDTXKXCKDG-CYBMUJFWSA-N 302.403 2.883 0 40 DFAB Cc1cc(C)c2nc3s/c(=C/c4ccc(O)cc4)c(=O)n3c2c1 4499028 IRTJKUOARLJBBF-OQLLNIDSSA-N 322.389 2.779 0 40 DFAB CCOCCO[C@@H](C)C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1 65550537 MTSXOQZNFLOUEZ-CABCVRRESA-N 323.433 2.526 0 40 DFAB O=c1c2cccc(O)c2nc2n1CCc1c-2[nH]c2ccccc12 14689108 IBBYAIMGJMOBLQ-UHFFFAOYSA-N 303.321 2.807 0 40 DFAB biogenic COC(=O)CSc1nnc(Nc2ccccc2OC)s1 6787169 GELMQMLXNCOKNZ-UHFFFAOYSA-N 311.388 2.555 0 40 DFAB O=C1CCCN1CC[C@H]1CN(C(=O)c2ccc[nH]2)c2ccccc21 83005095 JSNKMLLQTQLEOX-AWEZNQCLSA-N 323.396 2.771 0 40 DFAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(Cl)ccn2)c1 9154953 AWOLFBHPGPSGCX-UHFFFAOYSA-N 315.760 2.880 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H](N2CCCC2)C1 67617710 HCJXBJHDBBUPCK-OKZBNKHCSA-N 313.445 2.812 0 40 DFAB COc1ccccc1CC(=O)Nc1ccccc1C(=O)NC1CC1 7596939 HLTFLWUIIDRZEC-UHFFFAOYSA-N 324.380 2.769 0 40 DFAB COc1nc(CN2CCCCC2)nc2sc(C(=O)O)c(C)c12 7978636 SMNUTPVLSOTQEQ-UHFFFAOYSA-N 321.402 2.692 0 40 DFAB O=C(c1cc(-c2csc(N3CCCC3)n2)c[nH]1)N1CCCC1 8232341 CAXJSOVEDYTTLV-UHFFFAOYSA-N 316.430 2.974 0 40 DFAB O=C(CNCCc1ccco1)N(Cc1ccccc1F)C1CC1 69442008 VGWOQXHGYYSLQQ-UHFFFAOYSA-N 316.376 2.742 0 40 DFAB CC(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 69419649 QRSRPUAQZGAUJX-QGZVFWFLSA-N 314.429 2.569 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 69537411 AWKNCDONPGPEEI-GFCCVEGCSA-N 324.371 2.589 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)/C=C/C(C)(C)C)CC1 69627997 JSMYPSFHYCFXAJ-VOTSOKGWSA-N 305.422 2.538 0 40 DFAB c1ccc(-c2noc(CNc3ncnc4ccccc34)n2)nc1 69704835 LOFZMTMQJOOKGZ-UHFFFAOYSA-N 304.313 2.687 0 40 DFAB c1ccc(N2CCC(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)nc1 97237682 DWTFPNBKRIIDIQ-NXHRZFHOSA-N 313.445 2.598 0 40 DFAB COc1cccc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 71864969 UJTGNHZKUFZAAS-MRXNPFEDSA-N 313.401 2.516 0 40 DFAB O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CCC[C@@H]1CO 84335457 ZAIDASSXKAVQOQ-RNCFNFMXSA-N 318.200 2.649 0 40 DFAB CC[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(N)=O 71902615 FISSUVXMVKVDSR-AWEZNQCLSA-N 319.792 2.990 0 40 DFAB C[C@@H]1SCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]1C 71911148 DURHAQDFGAYOAC-MNOVXSKESA-N 323.849 2.674 0 40 DFAB COc1ccc(-n2ccnc2-c2cccc(OC)c2OC)cn1 72148092 SRQCLOFILRJJQV-UHFFFAOYSA-N 311.341 2.960 0 40 DFAB C[C@H](NCc1csc(C2CC2)n1)c1nnc2n1CCCC2 84668015 OQFVRBGRIHAADN-JTQLQIEISA-N 303.435 2.799 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc[n+]([O-])c1 84718144 JSLWHKNTCUREKT-LBPRGKRZSA-N 307.353 2.561 0 40 DFAB Cc1cccc(O[C@@H](C)C(=O)N(C)[C@@H](C)c2cnn(C)c2)c1 95464425 ILIMUUAOHOVZKC-KBPBESRZSA-N 301.390 2.715 0 40 DFAB Cc1cc(C(=O)N2CC(=O)Nc3cnccc32)c(Cl)cc1F 95414130 MCXAFSAMDXSWIA-UHFFFAOYSA-N 319.723 2.781 0 40 DFAB C[C@H](NCCC(=O)NC1CCCC1)c1ccc([S@](C)=O)cc1 95420742 XTAGPGSBSSNZCG-WHEQGISXSA-N 322.474 2.524 0 40 DFAB O=C1N[C@H](C(=O)N[C@H](c2cc3ccccc3o2)C2CC2)CS1 73566623 JLJJIBZAYGQOKI-FZMZJTMJSA-N 316.382 2.825 0 40 DFAB CC(C)(C)C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 74348761 NSTFORMGBSOAMW-UHFFFAOYSA-N 311.429 2.925 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 89340044 KZFZGNAEZGECEM-IKGGRYGDSA-N 320.408 2.874 0 40 DFAB CO[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccc(F)cc1 74928676 QBINBCWGNYXWLN-MRXNPFEDSA-N 317.364 2.750 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)Sc2ncnc3ccsc23)n1 89599323 XCDPJGPXIHSGOR-MRVPVSSYSA-N 304.400 2.936 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1 75139292 XNBXPDMJNRFOOQ-HNNXBMFYSA-N 319.405 2.560 0 40 DFAB O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCCS1(=O)=O 89878721 SEXGWONGQQLMFT-HOTGVXAUSA-N 315.394 2.505 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 89950069 HUIJHJGRNGZLOZ-CQSZACIVSA-N 302.399 2.843 0 40 DFAB C[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccccc1F 20251802 QMDVWYGASGFMIZ-JTQLQIEISA-N 304.296 2.722 0 40 DFAB Cc1c(NC(=O)COC[C@@H]2CCCO2)cccc1-c1ncco1 552711222 OCVMEMMKWPFZPC-ZDUSSCGKSA-N 316.357 2.784 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 39918128 VCRGBANBLJHLSS-CQSZACIVSA-N 324.380 2.995 0 40 DFAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cccnc1 72368773 NABPMRIIDQNGRV-CYBMUJFWSA-N 308.428 2.841 0 40 DFAB CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H]2CCCOCC2)cc1 564651937 QNLMVNRMNVBSKK-IAGOWNOFSA-N 321.461 2.883 0 40 DFAB COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1OC 225914296 UDXFKIYLQXORAJ-UHFFFAOYSA-N 323.389 2.678 0 40 DFAB C[C@H](C(=O)O)[C@@H](NC(=O)Cc1ccsc1)c1ccccc1 195551152 ARDNSLSQCHDZGH-XHDPSFHLSA-N 303.383 2.869 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2C)cc1 225597315 JNXLORAZXSSOEP-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB O=C(CCc1ccc(Cl)s1)NCC[C@@H]1CCCNC1 195542877 HMUPARDXGVNRKL-NSHDSACASA-N 300.855 2.840 0 40 DFAB CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnc(CC)nc1 97100068 ZKFWHSYTSAEYAT-AWEZNQCLSA-N 306.410 2.852 0 40 DFAB COC[C@H]1CN(Cc2ccoc2)Cc2nn(CC3CC3)cc21 96060443 GNSJPSOTGDVQOA-OAHLLOKOSA-N 301.390 2.632 0 40 DFAB CC(C)[C@@H](CCO)NC(=O)Nc1ccc(OC(F)F)cc1 96433748 PAYGYGZMXQPYOI-GFCCVEGCSA-N 302.321 2.817 0 40 DFAB O=C(CCN1CCC(n2cccn2)CC1)c1ccc(F)cc1 96495513 ANSJYNZUQNPWJF-UHFFFAOYSA-N 301.365 2.932 0 40 DFAB O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)[C@H](O)c1ccccc1 95450358 SWNQGRVWPKHZRF-FGTMMUONSA-N 311.381 2.757 0 40 DFAB Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)N(C)C)C3)c1 96217498 TXFAXRJCXVSTNQ-AEFFLSMTSA-N 317.433 2.690 0 40 DFAB COc1cccc(NC2CCN(C(=O)c3cccn3C)CC2)c1 96418492 BNKTYHSCCIAOFS-UHFFFAOYSA-N 313.401 2.750 0 40 DFAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(Cl)cccc21 95474577 UNSPSQSDHHFCPJ-ZDUSSCGKSA-N 319.836 2.895 0 40 DFAB CC(C)(C)NC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 248212011 DRFOVJDRAKUGIN-BVNXPQQUSA-N 313.397 2.961 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2c2ccncn2)cc1F 257333766 YCYGUKOPNVEFPI-AWEZNQCLSA-N 301.321 2.602 0 40 DFAB Cc1cnc2n1C[C@H](c1ccccc1)N(C(=O)c1cccn1C)C2 257243222 IFYBMDBEYXOVGD-QGZVFWFLSA-N 320.396 2.927 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257308023 TVCVCHKGMZTNGO-AWEZNQCLSA-N 323.400 2.580 0 40 DFAB Cc1cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)ccn1 257278020 OAKXKXPGDQDLQB-OAHLLOKOSA-N 302.399 2.594 0 40 DFAB C[C@@H](CNc1cccc(C(=O)O)n1)N1CCc2ccccc2C1 263526725 UISMMFOZMOOSHS-ZDUSSCGKSA-N 311.385 2.639 0 40 DFAB O=C(NC1CCN(Cc2cc(F)ccc2F)CC1)C1CCC1 368768632 VCRYQIAUNKXDNO-UHFFFAOYSA-N 308.372 2.846 0 40 DFAB COCCn1c(S[C@H](C)C(=O)NC(C)(C)C)nc(C)c1C 55250943 LPTHOSADKRTXFX-GFCCVEGCSA-N 313.467 2.542 0 40 DFAB O=C(Nc1ccccc1Cl)N1CCOC2(CCOCC2)C1 90608867 PWSQAVPKULVFEV-UHFFFAOYSA-N 310.781 2.753 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCC12CCOCC2 585409506 UEXMDSFDMAWERX-WFASDCNBSA-N 307.365 2.668 0 40 DFAB c1coc(-c2cc(-c3nnc4c5ccccc5cnn34)[nH]n2)c1 13693195 YGVGMPQWDGQFCF-UHFFFAOYSA-N 302.297 2.928 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1OC 14014937 BVGYJGZOKCHLMH-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB O=C(Nc1cnn(CC2CCOCC2)c1)c1c(F)cccc1F 206836456 MCUZWYLZQPMQHU-UHFFFAOYSA-N 321.327 2.840 0 40 DFAB CO[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccco1 206864301 YPBGUVKAKBEYLY-VIFPVBQESA-N 321.807 2.661 0 40 DFAB COc1cc(C(N)=O)ccc1OC(=O)c1ccc(Cl)cc1 226365600 JQLABHYBQYTGKJ-UHFFFAOYSA-N 305.717 2.667 0 40 DFAB COc1cccc(CNC[C@H](C)O)c1OCc1ccc(F)cc1 8498051 YODFNJSBBNLLEE-ZDUSSCGKSA-N 319.376 2.884 0 40 DFAB CC(C)(C)C(=O)NCc1nnc(-c2nccc3ccccc23)o1 19082218 MUKJEUSRJYOKBQ-UHFFFAOYSA-N 310.357 2.947 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)NCCSC(C)(C)C 66936250 NNIYULXDSYPTRM-UHFFFAOYSA-N 305.440 2.944 0 40 DFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 2087130515 KKONCZQMEWDDPE-AWEZNQCLSA-N 316.449 2.827 0 40 DFAB CCc1nn2c(=O)cc(CNc3cc(C)ccc3C)nc2s1 30283817 SHHNYCSRDWLQEX-UHFFFAOYSA-N 314.414 2.942 0 40 DFAB CC(C)N1C[C@H](C(=O)N[C@H](C)Cc2cccc(Cl)c2)CC1=O 40108223 WOMDVRJCGCIDIQ-TZMCWYRMSA-N 322.836 2.644 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CC2)c1 40496293 ZQDVGJKTCQKHEG-UHFFFAOYSA-N 319.382 2.836 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc2c(c1)CCC2 101967557 XEWYGWDVCSWDJS-KKFZBWNWSA-N 323.392 2.883 0 40 DFAB CCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@H](C)CC)n1 32752704 LMIJBBMIIUZXCZ-SECBINFHSA-N 309.435 2.557 0 40 DFAB CCCc1nnc(NC(=O)COc2ccccc2OCC)s1 148468 NFWOFGNEYCXVAD-UHFFFAOYSA-N 321.402 2.907 0 40 DFAB Cc1[nH]c2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc2c1C 12048053 GUPCLOYBXSOCBO-KRWDZBQOSA-N 321.380 2.741 0 40 DFAB Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 46675451 UZWGXYDGOOZFQH-KRWDZBQOSA-N 324.380 2.781 0 40 DFAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2F)C1=O 1361763 GCVVRNJNYNHRDP-NSHDSACASA-N 314.316 2.578 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)NC[C@H]2CCCN(C)C2)cc1 76996640 FGYRWSIVXZXOSE-ZIAGYGMSSA-N 322.474 2.634 0 40 DFAB CC(=O)OCC[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C1=O 1758305 NTBJGUXGJVRBNO-LRDDRELGSA-N 312.369 2.567 0 40 DFAB NC(=O)CC[C@@H]1CCCN(c2ccnc3cc(F)ccc23)C1 78808695 MZOVKOOSWJEPMI-LBPRGKRZSA-N 301.365 2.856 0 40 DFAB O=C(N[C@H]1CC=CCC1)N1CCC(OC[C@H]2CCCCO2)CC1 78980292 HBXZEOSQUPGNNU-DOTOQJQBSA-N 322.449 2.855 0 40 DFAB O=C(CC1CCCCC1)NC1CCN(c2ncccn2)CC1 32930112 UMGHRFUYKKKHDD-UHFFFAOYSA-N 302.422 2.532 0 40 DFAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NC1CC1 21873244 LRNMYAKXKMAVGJ-UHFFFAOYSA-N 300.406 2.840 0 40 DFAB C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@H]1CCCO1 41374985 PEHAYGDQASBNKV-GXTWGEPZSA-N 315.373 2.708 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1 2789632 LZJNDCAEARQSRU-UHFFFAOYSA-N 318.301 2.694 0 40 DFAB CCCOc1c(I)cc(C=O)cc1OC 2765946 WJFHRYWKLRKARI-UHFFFAOYSA-N 320.126 2.901 0 40 DFAB CCN(C(=O)c1c(C)cc(=O)oc1C)c1ccc2c(c1)OCO2 522274 KVFNJXRDXQNHRC-UHFFFAOYSA-N 315.325 2.652 0 40 DFAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccnc(C)n2)cc1 103609558 GJDYBIMJQZBTID-RELWKKBWSA-N 318.380 2.684 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2snnc2CC)cc1 22699587 APMXUTXFFZKJKQ-JTQLQIEISA-N 305.403 2.990 0 40 DFAB CCn1c(=O)n(CC(=O)Nc2ccccc2C)c2ccccc21 10745542 XYLFCQXKEVPQOE-UHFFFAOYSA-N 309.369 2.770 0 40 DFAB COCCN(Cc1cccnc1)C(=O)NC[C@H]1CC=CCC1 69818281 YFYVOLFVVDRPLR-HNNXBMFYSA-N 303.406 2.596 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccncc1 24434963 IZHVMIQLNLPMEF-INIZCTEOSA-N 320.389 2.888 0 40 DFAB O=C(NCCCn1ccnc1)c1sccc1Br 47699123 FAFOKRPYXRRXNY-UHFFFAOYSA-N 314.208 2.527 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 24958791 JMIBXZKKCYDVNI-UONOGXRCSA-N 314.385 2.892 0 40 DFAB CC[C@H](NC(=O)C=C(C)C)c1ccccc1OCC(=O)N(C)C 55598454 LPPDLASUGGMCTO-HNNXBMFYSA-N 318.417 2.687 0 40 DFAB O=C(CCCNc1ncccn1)N[C@@H]1CCc2cc(F)ccc21 55657639 ZSGZROKFILETAS-OAHLLOKOSA-N 314.364 2.612 0 40 DFAB CCOC(=O)c1ccc(N(C)Cc2nc3ccccc3[nH]2)nc1 25493969 ZIHSCJPDBLHLTD-UHFFFAOYSA-N 310.357 2.771 0 40 DFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C)c1ccccc1 107152286 JBJJIQMICZHVNR-ACJLOTCBSA-N 308.381 2.842 0 40 DFAB Cc1cc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)no1 56342783 OXGVIBACMCENCX-AWEZNQCLSA-N 316.361 2.591 0 40 DFAB O=C(NC[C@@H](O)COc1ccccc1)c1sccc1C1CC1 71856773 BIUBEWBWUMQMDO-CYBMUJFWSA-N 317.410 2.795 0 40 DFAB Cc1cnc([C@@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)s1 108105977 OKZFVMOCHBDHOZ-LPWJVIDDSA-N 307.419 2.522 0 40 DFAB O=C(Cn1nc2ccccn2c1=O)c1ccc(Cl)c(Cl)c1 47839257 JQYVHQQNFUIMKD-UHFFFAOYSA-N 322.151 2.686 0 40 DFAB O=C(Nc1nncs1)N1CCC(Nc2ccc(F)cc2)CC1 58064743 WEUATNUJYDJMSQ-UHFFFAOYSA-N 321.381 2.786 0 40 DFAB Cc1cnn(CCNCc2c(C)nn(Cc3ccccc3)c2C)c1 69900851 CIWCZJABCIIZEL-UHFFFAOYSA-N 323.444 2.843 0 40 DFAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccc1 12642286 CHJHBYZVHARMFA-UHFFFAOYSA-N 311.385 2.570 0 40 DFAB O=C(Nc1cccnc1)N(Cc1cccnc1)C[C@H]1CCCO1 44973458 JXWHYXJFXBKEJN-MRXNPFEDSA-N 312.373 2.690 0 40 DFAB O=C(NCCc1cccs1)Nc1ccc(-n2cccn2)nc1 48134894 BGNAVKMPVCCNPV-UHFFFAOYSA-N 313.386 2.693 0 40 DFAB Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@H](C)C2)c(C)c1 27977024 PMGJHGBEFNPBAU-AWEZNQCLSA-N 310.463 2.712 0 40 DFAB CN(C)[C@@H](CNCc1nc(-c2ccsc2)no1)c1ccco1 48250963 VLFOIDPXCACAAX-LBPRGKRZSA-N 318.402 2.784 0 40 DFAB C[C@H](N(C)C(=O)CCn1ncc(=O)c2ccccc21)C(C)(C)C 45779891 FKBGSWDJCSIODO-ZDUSSCGKSA-N 315.417 2.680 0 40 DFAB CC(C)CC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1 27458777 NYMPPJRNNIKJPQ-UHFFFAOYSA-N 317.216 2.886 0 40 DFAB O=C(O)c1ccc(N2N=C(c3cccs3)CCC2=O)cc1 13060460 BYJGOUKNCVGICM-UHFFFAOYSA-N 300.339 2.977 0 40 DFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ncccc1C 18231225 YBSPQICVSRTNIP-UHFFFAOYSA-N 314.341 2.619 0 40 DFAB Cc1cc(C)c(CNS(=O)(=O)CCc2ccccn2)c(C)c1 63764595 FMCZZXPBYSSFBD-UHFFFAOYSA-N 318.442 2.669 0 40 DFAB Cc1nnsc1-c1c(C(=O)O)c(C)nn1-c1ccccc1 4394678 RJAAGFSXJGYPFP-UHFFFAOYSA-N 300.343 2.706 0 40 DFAB CCCc1nc(C(C)(C)NC(=O)c2cnc(CC)s2)no1 65403043 VCMGUHSMJCAIRL-UHFFFAOYSA-N 308.407 2.706 0 40 DFAB O=C(NC1=NCCS1)c1ccccc1C(=O)c1cccs1 14086440 VWCMIVDBOIEFPY-UHFFFAOYSA-N 316.407 2.812 0 40 DFAB CC[C@@H](C)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 65576882 PFXVWHWVRGRCKU-OAHLLOKOSA-N 324.428 2.838 0 40 DFAB O=c1ccc2ccc(OCc3cnn(-c4ccccc4)n3)cc2o1 65611682 IQRBUBDPXSQBFK-UHFFFAOYSA-N 319.320 2.953 0 40 DFAB Cc1ccc(/C=C/C(=O)N2CCC(=O)CC2)c(Br)c1 14252625 FGCARXIISJLSBE-SNAWJCMRSA-N 322.202 2.962 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 6640085 QEWMHKYHEPSISS-SVRRBLITSA-N 303.145 2.526 0 40 DFAB C[C@H](CNC(=O)C(=O)NC[C@@H](C)c1ccccc1)c1ccccc1 408707050 ITOSRLZBHUMYKA-HZPDHXFCSA-N 324.424 2.826 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(N)=O)cc1 14735678 YIXYRGIEJQWAEH-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB Cc1cc(C)cc(-c2nnc(SCC(=O)NC3CC3)o2)c1 5794315 WTWGMLXCRVZALR-UHFFFAOYSA-N 303.387 2.724 0 40 DFAB Cn1ccnc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66845067 CIGHOTBOAOAOHP-AWEZNQCLSA-N 309.772 2.786 0 40 DFAB Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 20221024 XVIMCJWWLUFCBL-UHFFFAOYSA-N 304.733 2.946 0 40 DFAB C[C@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc(N2CCCC2=O)cc1 90454021 RFDQCSOCODVMRC-BBRMVZONSA-N 324.428 2.745 0 40 DFAB Cc1c(Cl)cccc1NC(=O)NCCCN1CCCC1=O 15934281 PYRUOVRLAYHXMF-UHFFFAOYSA-N 309.797 2.782 0 40 DFAB Cc1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1F 71803090 XZXBDGIFCSEPBJ-UHFFFAOYSA-N 307.413 2.617 0 40 DFAB O=C(CO[C@@H]1CCOC1)N1CC2(CCCC2)c2ccccc21 81578311 YSZZDPULTCMBGB-CQSZACIVSA-N 301.386 2.651 0 40 DFAB O=C(O)c1ccnn1-c1ccc2ccc(Br)cn12 91303052 JRIHKKDCXSQBNF-UHFFFAOYSA-N 306.119 2.586 0 40 DFAB CCOCCO[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 69322891 JZJPTWVAZDTPCR-UXIGCNINSA-N 311.809 2.754 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N(C)C1Cc2ccccc2C1 69566139 VJDGPBWIDXZTEQ-KBXCAEBGSA-N 317.429 2.586 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1CCOC1=O)[C@H](C)C2 97079953 YDCGTYPWLJZAJC-DYVFJYSZSA-N 316.401 2.577 0 40 DFAB O=C(OCc1cccc2cn[nH]c12)c1ccnc(-n2ccnc2)c1 97098223 BLLJDANQJVSRAA-UHFFFAOYSA-N 319.324 2.501 0 40 DFAB Cc1cccc(NC(=O)CN(C)c2ncc(Cl)cc2F)n1 97020174 IKDCORYURGPALL-UHFFFAOYSA-N 308.744 2.652 0 40 DFAB Cc1ccc(NC[C@H]2CCN(Cc3nnc(C4CC4)o3)C2)nc1 97200532 SQKYKRBRQCHUPW-CYBMUJFWSA-N 313.405 2.584 0 40 DFAB O=C(/C=C/c1ccccn1)NCc1ccnc(N2CCCCC2)c1 84609770 MQBHPGRPUFUCGK-BQYQJAHWSA-N 322.412 2.797 0 40 DFAB c1ccc(Cn2cccn2)c(CNC2CCN(CC3CC3)CC2)c1 95419581 DJWKQPBVIHWUGQ-UHFFFAOYSA-N 324.472 2.895 0 40 DFAB Cc1cc(C)nc(NC(=O)c2ccccc2Cn2cncn2)c1 95431306 YFBIYHWHICDCCH-UHFFFAOYSA-N 307.357 2.591 0 40 DFAB CCN(CC)[C@@H](CNC(=O)C[C@@H](O)C(C)C)c1ccccc1 95432629 NFDUABVSDRPEEQ-DLBZAZTESA-N 306.450 2.593 0 40 DFAB CC(C)n1cc([C@H](C)NC[C@@H]2COc3ccccc3O2)cn1 95419272 WWQUFYPBOPYWRU-DZGCQCFKSA-N 301.390 2.955 0 40 DFAB COc1cc(C(=O)Nc2nncn2-c2ccccc2)ccc1F 95988433 SGGHWOWIFJLJGA-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB Cc1cccnc1NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 75136759 KXVMDSRNEGPVEU-GFCCVEGCSA-N 321.446 2.666 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117609 XZXFHZWUBLRZMW-CYBMUJFWSA-N 322.364 2.996 0 40 DFAB Cc1cc(N2CCC[C@H]3CN(C)CC[C@@H]32)nc(-c2ccccn2)n1 89600692 RGTKXDKOQGDWKW-RDJZCZTQSA-N 323.444 2.768 0 40 DFAB Cn1cc(CNC[C@H]2CCCn3cc(C(C)(C)C)nc32)cn1 89725159 SGPCZAZGYREKCR-CQSZACIVSA-N 301.438 2.581 0 40 DFAB O=C(CCC(=O)N1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 89800334 OWOWJNHAKTZTLE-QGZVFWFLSA-N 315.413 2.512 0 40 DFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCOC(C)C 20495752 DUAVXNBWLZADRN-MRXNPFEDSA-N 309.406 2.784 0 40 DFAB Cc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36070929 ZUXOIWYJJMLRDT-GOSISDBHSA-N 320.392 2.577 0 40 DFAB Cc1cc(C)cc([C@@H]2CCN(C(=O)C3(C(=O)O)CCC3)C2)c1 566289676 VNDGXXXSSHGYFA-CQSZACIVSA-N 301.386 2.874 0 40 DFAB C[C@H](CNC[C@](C)(O)c1cnn(C)c1)c1cccc(Cl)c1 195573347 JSJATTAYINAHAY-WBMJQRKESA-N 307.825 2.674 0 40 DFAB COC(=O)CCc1csc(C[C@H](C)n2cc(Cl)cn2)n1 195230522 PVGCTZHRDDNDOF-VIFPVBQESA-N 313.810 2.902 0 40 DFAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223044787 RKNVKOADBBCJJY-IBGZPJMESA-N 324.424 2.783 0 40 DFAB CCCN(C)C(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O 225431432 CADNIKAJKBYSQV-NSHDSACASA-N 318.373 2.886 0 40 DFAB biogenic,in-vitro O=C(c1cccnc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40817575 WJGATPMKVYNPHA-CQSZACIVSA-N 306.369 2.978 0 40 DFAB Cc1cccc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 224048050 CLMBWLDGHYFGMV-UHFFFAOYSA-N 315.398 2.648 0 40 DFAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1 225894941 KMHYDJGTMVQFJT-INIZCTEOSA-N 310.394 2.641 0 40 DFAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN(C)C)c1 45584905 CHDBXPJIXMCZTB-OAHLLOKOSA-N 306.450 2.954 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)n1 226852929 UOUUVRVAGNKJSN-CQSZACIVSA-N 322.368 2.982 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCc1cccnc1-c1ccco1 225662279 SPBYVFXAKWWHPM-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB O=C(C1CCC1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225484112 AWRMLCHEIIUYKP-AWEZNQCLSA-N 318.348 2.683 0 40 DFAB biogenic,in-vitro Oc1ccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 96090682 JZAOKHZKTHHCJX-KDURUIRLSA-N 308.425 2.956 0 40 DFAB Cc1ccc(SCCn2cnc3ccsc3c2=O)nc1 96423970 FJADTTINLCBUHV-UHFFFAOYSA-N 303.412 2.954 0 40 DFAB C[C@@H](NC(=O)c1coc(NC(=O)C2CCC2)n1)c1ccccc1 90608019 CWVZXBBMQYURAN-LLVKDONJSA-N 313.357 2.904 0 40 DFAB CCC1CCC(CNC(=O)c2ccc(S(C)(=O)=O)o2)CC1 96405856 IWRVQLGIPLSLGR-UHFFFAOYSA-N 313.419 2.629 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)noc1Cl 96417105 PYEJRSCLIYTEPW-QWRGUYRKSA-N 302.827 2.969 0 40 DFAB C[C@H](OC(=O)c1ccccc1Cn1cncn1)c1nccs1 96446438 HWBLTCBAHVULMX-NSHDSACASA-N 314.370 2.701 0 40 DFAB COc1cccc(NCc2nc([C@H](N)c3ccc(C)cc3)n[nH]2)c1 95534121 ZSRRXGSZHYYXBE-QGZVFWFLSA-N 323.400 2.782 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](C)Sc1ccccc1 96431329 MNUUHCUQEAXFBM-ZIAGYGMSSA-N 318.446 2.752 0 40 DFAB O[C@H](CSc1nncn1-c1cccc(Cl)c1)C(F)(F)F 97378031 SPEHPJYJLBYJMA-SECBINFHSA-N 323.727 2.936 0 40 DFAB Cc1ccc(Cl)c(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 97230897 QYPRHPAPQIQFTM-WDEREUQCSA-N 309.797 2.766 0 40 DFAB COC[C@@H]1CCC2(CCN(Cc3ccccc3OC)CC2)N1C 96215452 VDDAEBLGDRJBSJ-KRWDZBQOSA-N 318.461 2.770 0 40 DFAB c1coc(CN2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)c1 96046282 GYIKSXBKEBXASB-AEGPPILISA-N 315.373 2.892 0 40 DFAB Cc1cccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)n1 96158249 BCXFYKGZJUONSW-LJQANCHMSA-N 323.444 2.673 0 40 DFAB CN(C)C(=O)CN1CCC[C@H](Cc2cnc3ccccc3c2)C1 257329075 XIHMPRADAZYDSP-OAHLLOKOSA-N 311.429 2.578 0 40 DFAB c1cncc(CN2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)c1 257287659 PQZFKMJDIGPHEP-MRXNPFEDSA-N 306.373 2.599 0 40 DFAB CC1(C)OC(=O)c2c1ccnc2N1CCC[C@@H](c2ncc[nH]2)C1 364903251 DSNRVFNJPKHLFH-LLVKDONJSA-N 312.373 2.594 0 40 DFAB CC(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 43880439 RNFXFIMZEZVEGL-OAHLLOKOSA-N 321.446 2.606 0 40 DFAB CN(C)C[C@H]1CCn2nccc2CN1Cc1cccc2[nH]ccc12 585096996 GLNWAKSXWRKWSM-MRXNPFEDSA-N 323.444 2.701 0 40 DFAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)sc1Cl 54814408 ZGDFXJSOXOHCGC-QMMMGPOBSA-N 321.229 2.748 0 40 DFAB O=C(Nc1ccsc1C(=O)NCC1CC1)c1ccncc1 56404226 WYVJTULJSRHOKT-UHFFFAOYSA-N 301.371 2.535 0 40 DFAB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@H](C)C(C)C)c1 55847823 LQAJXTOTLKDTSK-CYBMUJFWSA-N 305.422 2.916 0 40 DFAB CNc1ncc(C(=O)N2CCSc3ccccc3C2)s1 95979178 UKVWBJKQKMIZII-UHFFFAOYSA-N 305.428 2.933 0 40 DFAB N[C@@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccccc1 95971154 NVPJBZSVTUKGLT-PKOBYXMFSA-N 324.424 2.752 0 40 DFAB Cc1ccc(NC(=O)C[C@H](C(=O)O)N2CCCCC2)c(C)c1 5258098 HQJIFRSWGKKLLP-OAHLLOKOSA-N 304.390 2.571 0 40 DFAB CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(CC)nc21 12397249 CLBNYIJANSYGDW-UHFFFAOYSA-N 315.295 2.884 0 40 DFAB c1cn(C2CCCC2)nc1CNC1CCC2(CC1)OCCO2 156793620 MUPVYWOSLAAJLR-UHFFFAOYSA-N 305.422 2.774 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@@]2(CCNCC2(F)F)C1 257907202 ACYWYUOYUBPIGO-HNNXBMFYSA-N 310.344 2.644 0 40 DFAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCCN1 2037834593 TXYRAEMBUMAPQD-LJQANCHMSA-N 312.388 2.903 0 40 DFAB CC(C)[C@@H](Cn1ccnn1)NC(=O)CCSc1ccccc1 575615115 BXIYTIQTVPVFPG-OAHLLOKOSA-N 318.446 2.601 0 40 DFAB Cc1ccccc1CN1CCN(C(=O)N2CCCCC2)CC1 40039713 HRZIUQCGXBOAJG-UHFFFAOYSA-N 301.434 2.719 0 40 DFAB C[C@@H]1CN(c2ccc(NC(=O)NCC3CC3)cc2)C[C@@H](C)O1 50080652 ZENVEDCQTPJQEB-CHWSQXEVSA-N 303.406 2.832 0 40 DFAB C[C@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1 33525 XLXYDGKKCODSDR-NSHDSACASA-N 310.361 2.786 0 40 DFAB CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1 68543 VHYIEBVKLNADOA-UHFFFAOYSA-N 320.374 2.604 0 40 DFAB Cc1cccnc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 46347335 SQGRBJBWJBNLOF-ZDUSSCGKSA-N 304.419 2.876 0 40 DFAB Cc1ccoc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 46362231 IRTUGWBZILTBMX-UHFFFAOYSA-N 313.279 2.844 0 40 DFAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)N(C)C)n2)c1C 32911918 CVCXJLJOMCYGPL-UHFFFAOYSA-N 305.403 2.588 0 40 DFAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccn3)n2)c(C)c1 8780147 AHFYXHWDXGAAKZ-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB Cc1c(-c2ccccc2)sc2nc(-c3nnc[nH]3)[nH]c(=O)c12 102747990 IGULHQLXXACAFN-UHFFFAOYSA-N 309.354 2.745 0 40 DFAB Cc1nc(CCCC(=O)Nc2ccc3[nH]nnc3c2)cs1 79107864 FYVRUVSYMUIRIK-UHFFFAOYSA-N 301.375 2.684 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCc2[nH]ncc2C1 79455625 UEOOQWVJLLEVDC-BJJXKVORSA-N 305.422 2.668 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1c[nH]c2ccccc12 2527481 XMJAVOYAYRHTGQ-MRXNPFEDSA-N 308.337 2.594 0 40 DFAB COCc1ccccc1NC(=O)c1cccc(C(=O)N(C)C)c1 102990244 VELCBXTWELVRCJ-UHFFFAOYSA-N 312.369 2.787 0 40 DFAB COc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 534863 KJDGPHXWBQCUBB-SFHVURJKSA-N 311.337 2.806 0 40 DFAB COc1cccc2cc(S(=O)(=O)c3ccccc3)c(=N)oc12 2727324 UMSVOYRFAGDCGB-UHFFFAOYSA-N 315.350 2.754 0 40 DFAB Cc1nn([C@H](C)C(=O)N2CCCCCC2)cc1Br 6527467 UHVPLKYGCHHOFZ-LLVKDONJSA-N 314.227 2.918 0 40 DFAB CCN(CC)[C@@H](CNC(=O)C1CCC1)c1cccc(OC)c1 22700520 KODPRJMXRVNXSZ-KRWDZBQOSA-N 304.434 2.994 0 40 DFAB CCn1nc(C)c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c1C 57355695 KDLPPIUDFYBQOH-ZDUSSCGKSA-N 319.405 2.724 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 107360877 XAEAYBRVWZDALE-BVIKNXMNSA-N 314.429 2.811 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccnc(Cl)c2)cc1 25859966 JIKDOHQVAKYHHH-UHFFFAOYSA-N 318.760 2.517 0 40 DFAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3ccncc3)ccc21 44843840 NCDNKISYELMEQB-ZDUSSCGKSA-N 323.396 2.872 0 40 DFAB O=C(CCc1ccc(F)cc1)Nc1cccc(-c2nnn[nH]2)c1 44869194 OBGCNQBVATWLSS-UHFFFAOYSA-N 311.320 2.577 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 3256580 LNLJHLOGOWRKOZ-SNVBAGLBSA-N 321.402 2.752 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCCc1ccsc1 44970252 OLCCNBBYLYRSRE-UHFFFAOYSA-N 318.398 2.861 0 40 DFAB CN(CC1CCCC1)C(=O)Nc1ccccc1S(C)(=O)=O 58419098 XEEXWRWKJBMLTJ-UHFFFAOYSA-N 310.419 2.744 0 40 DFAB Cn1cc(Cl)c(C(=O)Nc2cc(-c3ccccc3)n[nH]2)n1 28242125 GIAQYEVVDRZKGE-UHFFFAOYSA-N 301.737 2.716 0 40 DFAB CCN(CCO)C(=O)CCc1ncc(-c2ccccc2Cl)o1 97177334 DTEUSBXXBAUWLB-UHFFFAOYSA-N 322.792 2.768 0 40 DFAB COCC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)CCC1 65463291 XUIRTFGYRZUCMM-ZDUSSCGKSA-N 319.401 2.842 0 40 DFAB CCc1ccccc1NC(=O)c1c(C)oc2ncn(C)c(=O)c12 12762790 SMEMOHWTXXHDFS-UHFFFAOYSA-N 311.341 2.650 0 40 DFAB CCOC(=O)c1cccnc1N1CCO[C@@H](c2ccccc2)C1 48314362 FKCNRSAOJGOUGI-MRXNPFEDSA-N 312.369 2.836 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 3551589 XOLXJCOQBOSGBQ-QGZVFWFLSA-N 314.360 2.709 0 40 DFAB Cc1ccc(O)c(C(=O)N(C)CCOc2ccc(F)cc2)c1 13004301 QDIOPNCWBCBVHP-UHFFFAOYSA-N 303.333 2.991 0 40 DFAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)CC1 18365813 MUSFFLBNFQKVBU-NSHDSACASA-N 320.418 2.804 0 40 DFAB CCCN1CCC(NC(=O)N(C)[C@H](C)c2cccnc2)CC1 71885919 YJVWLZBLVDBNGO-CQSZACIVSA-N 304.438 2.658 0 40 DFAB COc1ccc(CC(=O)N2CCCC[C@H]2Cn2cccn2)cc1 71864962 PJJKLVZRKJOLDU-INIZCTEOSA-N 313.401 2.516 0 40 DFAB Cc1ccc(CNC(=O)N2CCN(c3ccccn3)CC2)c(C)c1 71819714 KVUQELKLFGGGFU-UHFFFAOYSA-N 324.428 2.730 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 71827919 VJMNKLMVQKKMRB-CQSZACIVSA-N 317.364 2.857 0 40 DFAB CC[C@@H](NCc1ccc(C)c(F)c1)C(=O)Nc1cc(C)on1 14186015 KWJNMPHVNRILPK-CQSZACIVSA-N 305.353 2.937 0 40 DFAB Cc1cc(C)c(CNC(=O)c2ccc3ncsc3c2)c(=O)[nH]1 14244207 CRCSZHPRHPTKCA-UHFFFAOYSA-N 313.382 2.531 0 40 DFAB Brc1cnc(Oc2cccc(-n3cncn3)c2)nc1 71914881 VTIPVPMJURCIFK-UHFFFAOYSA-N 318.134 2.612 0 40 DFAB CSc1nnc(NC(=O)CSc2nc(C)cs2)s1 8362549 WGTPPKAWMXTGNP-UHFFFAOYSA-N 318.474 2.756 0 40 DFAB Cc1ccc(-c2ccc(C(=O)OC[C@@H]3CNC(=O)C3)s2)o1 97081488 BYHBABHTQMDMQQ-JTQLQIEISA-N 305.355 2.609 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 97000743 GZRYMJJMMBGZDP-CYBMUJFWSA-N 312.369 2.952 0 40 DFAB CCc1cnccc1C(=O)N1CCc2cc(C(=O)OC)ccc21 97050459 ZYMQMZQUNHBZCK-UHFFFAOYSA-N 310.353 2.634 0 40 DFAB Cc1ccccc1C[C@@H](CNC(=O)c1ccsc1)C(=O)O 97018805 SOMHJVOJJDYEBN-AWEZNQCLSA-N 303.383 2.730 0 40 DFAB C[C@H](NC(=O)CNCCn1cccn1)c1cccc2ccccc12 72267832 ZPFHTBVJJZKTQP-HNNXBMFYSA-N 322.412 2.503 0 40 DFAB CSC[C@@H](C)NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 84640618 QTBOYLORECNKFO-CZUORRHYSA-N 308.447 2.695 0 40 DFAB O=C(c1ccnn1C1CCCC1)N1CCO[C@H]2CCCC[C@@H]21 95967296 CDSJLKNOWZOOLP-HOCLYGCPSA-N 303.406 2.782 0 40 DFAB Cc1nc(CN2CCN(C(=O)Nc3ccsc3)CC2)oc1C 95981896 VDGAQANQLTULAF-UHFFFAOYSA-N 320.418 2.703 0 40 DFAB Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CCO)Cc1cccnc1 95977785 ZTZCPDVOOAAMKF-LSDHHAIUSA-N 316.426 2.576 0 40 DFAB CN(Cc1nsc(N(C)C)n1)Cc1nc2c(s1)CCCC2 95972463 ALAMMVCMQNBOND-UHFFFAOYSA-N 323.491 2.571 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)c1ccncc1 95996664 KMPHQJRAQVNMNO-SFHVURJKSA-N 323.396 2.626 0 40 DFAB CC(C)(C)C(=O)N1CCC(CS(=O)(=O)c2ccccc2)CC1 74556130 PRPYHGRNUVZZHP-UHFFFAOYSA-N 323.458 2.745 0 40 DFAB COc1cccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c1O 9949416 LCXBWQLLNMBOSN-NSHDSACASA-N 300.310 2.829 0 40 DFAB Cc1[nH]ccc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 89536828 JCEUIKHYCZMTBN-UHFFFAOYSA-N 313.401 2.532 0 40 DFAB CC(=O)N1CC[C@H](NCc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 89937585 OGCUXJAMSSMLKO-GUYCJALGSA-N 316.445 2.747 0 40 DFAB O=C(O[C@H]1CCSC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 66730397 IXLSDORHCOSYOR-GJZGRUSLSA-N 319.426 2.588 0 40 DFAB C[C@@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)OC(C)(C)C 39952216 YJDNTASJMIPVSA-GFCCVEGCSA-N 320.389 2.830 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1cc(F)ccc1F 72334021 RPAAYFHXXFZUKW-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB CS[C@@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 77648275 QQPQDQIGKFOMIC-OIBJUYFYSA-N 308.230 2.895 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCc1cccc(OCC(F)F)c1 78979533 TZCFWNBXZDKUNU-UHFFFAOYSA-N 323.343 2.611 0 40 DFAB Brc1cnn(Cc2nccn2Cc2ccccc2)c1 72920246 XXUKTARMZNHGQX-UHFFFAOYSA-N 317.190 2.939 0 40 DFAB CNC(=O)C(C)(C)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 183838597 ALRSKYDTISICJR-CYBMUJFWSA-N 314.433 2.604 0 40 DFAB CC(C)(C)c1ccc(OCc2nnc(CCC(=O)O)o2)cc1 32198489 DPMVQEZJSMSNPI-UHFFFAOYSA-N 304.346 2.963 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cn1 72330203 AWGPACQFQRXREV-UHFFFAOYSA-N 302.374 2.554 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 32741197 SFKYZMFZLXVCIP-CYBMUJFWSA-N 313.353 2.542 0 40 DFAB CCCCOC(=O)c1cc(N)ccc1Sc1nc(C)n[nH]1 70462446 JBVSWBNINWREGB-UHFFFAOYSA-N 306.391 2.803 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H]1CCCOC1 182622493 QOLWQIXAZJEAQH-LSDHHAIUSA-N 320.437 2.832 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)c2conc2C(C)(C)N)c1 563417923 SJSSMXMCVSLAPX-GFCCVEGCSA-N 301.390 2.976 0 40 DFAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C(C)C 72324136 QNTLFBFXVAURIH-GFCCVEGCSA-N 319.430 2.523 0 40 DFAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324657 URTJAOJQCOZJRW-DGCLKSJQSA-N 308.809 2.737 0 40 DFAB O=C(NCCSC1CCCC1)[C@H]1COc2ccccc2O1 46450449 MHXYOQNRQKRQKZ-OAHLLOKOSA-N 307.415 2.618 0 40 DFAB CCn1c(Cl)nc2cc(C(=O)NC[C@H]3CCCO3)ccc21 225988222 ACKTTWHJVOTVOB-LLVKDONJSA-N 307.781 2.618 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1c(F)cccc1F 224293270 OYOLEWQWTOCNLL-UHFFFAOYSA-N 306.316 2.690 0 40 DFAB O=C1C[C@H](C(=O)O)[C@@H](c2cccc(OCc3ccccc3)c2)O1 85394684 MZLOVRJLAVWQGL-DOTOQJQBSA-N 312.321 2.954 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 41056987 SPZKUYCDBYWTJU-UHFFFAOYSA-N 320.348 2.993 0 40 DFAB O=c1oc2cc(Br)ccc2n1CC[C@H]1CCCO1 195576594 ODCDVGWMTAZJSG-SNVBAGLBSA-N 312.163 2.926 0 40 DFAB O=C(c1ccsc1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96071157 VZVDXTDRRLBTSG-UHFFFAOYSA-N 318.442 2.613 0 40 DFAB Nc1cnn(CCO)c1-c1ccc(Br)cc1Cl 96527583 RNPZUJMRVNJLRT-UHFFFAOYSA-N 316.586 2.541 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccs1)C2 96056851 NXGIKNUQMLDIGX-ZBFHGGJFSA-N 309.431 2.796 0 40 DFAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1cnccn1 96451313 LDKXTXOGWSEGDI-AWEZNQCLSA-N 319.792 2.946 0 40 DFAB Cc1cccc(N2C[C@]3(CCN(C(=O)NC(C)C)C3)CC2=O)c1 96238562 PUERXEXMADNCOW-GOSISDBHSA-N 315.417 2.542 0 40 DFAB O=C(NCc1ccsc1)N1CCC([C@@H](O)C(F)(F)F)CC1 96477018 JTSLKVVULBKXSX-LLVKDONJSA-N 322.352 2.593 0 40 DFAB Cc1csc(-c2cccc(C(=O)NCc3cnn(C)c3)c2)n1 96416925 JUGAGOUNLUJWTE-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB O=C(c1ccc[nH]1)N1CCc2c(COCC3CC3)cncc2C1 96189408 UMWMPLBKKGXFSR-UHFFFAOYSA-N 311.385 2.535 0 40 DFAB 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CC(C)(C)c1nc2ccc(NC(=O)c3n[nH]c(O)n3)cc2s1 75179483 IVQRSQICJDRVOJ-UHFFFAOYSA-N 317.374 2.670 0 40 DFAB C[C@H]1CC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)=NO1 89920083 CQCCAHXDNAITCR-VIFPVBQESA-N 319.361 2.730 0 40 DFAB Cc1ccsc1C(=O)N1CCc2nc(N(C)C)sc2C1 1548797154 QBFKJGYKCGNFDQ-UHFFFAOYSA-N 307.444 2.778 0 40 DFAB Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)n(C)n1 32828110 AYMRLDMBXJYADN-OAHLLOKOSA-N 315.373 2.539 0 40 DFAB O=C1c2ccccc2C(=O)N1c1nnc(Cc2ccccc2)s1 408718037 DFGGGDGSCPGQAQ-UHFFFAOYSA-N 321.361 2.930 0 40 DFAB CCOc1cccc2[nH]cc(CC(=O)N(C)c3nncs3)c12 186836965 KNFAYJSKJRIDSF-UHFFFAOYSA-N 316.386 2.624 0 40 DFAB CCN1CCN(C(=O)c2cc(C(C)C)c(OC)cc2C)CC1 74948326 UQRGUAUFIBWXEW-UHFFFAOYSA-N 304.434 2.905 0 40 DFAB COc1cccc2cc(C(=O)NC[C@]3(O)C=CCCC3)oc12 606440397 LCHJJOYVIIAHNE-KRWDZBQOSA-N 301.342 2.642 0 40 DFAB CCCCCCNC(=O)Nc1cccc(-n2nnnc2C)c1 45689903 VURJWTGZAXVDEG-UHFFFAOYSA-N 302.382 2.673 0 40 DFAB C[C@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)CCO2 42723185 YYPKKOZTQMDMFS-AWEZNQCLSA-N 302.418 2.616 0 40 DFAB COc1ccc(S(=O)(=O)NCCCc2ccco2)c(C)c1C 224433306 UUZGJJMZGCNOGJ-UHFFFAOYSA-N 323.414 2.816 0 40 DFAB O=C(O)c1ccc(NC(=S)NC[C@H]2CCCO2)c(Cl)c1 225156076 WVLTXYNTRANICJ-SECBINFHSA-N 314.794 2.504 0 40 DFAB CC(C)c1nnc(NCCCc2nnc3ccccn23)s1 195575154 ZPEOEXUBEWSQOP-UHFFFAOYSA-N 302.407 2.749 0 40 DFAB CO[C@@]1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC[C@H](C)C1 225634048 XHGXSDMGGHGYBY-SJCJKPOMSA-N 321.373 2.684 0 40 DFAB CCO[C@H]1C[C@@H](Nc2cccc(CC(=O)OC)n2)C12CCC2 195002653 JTXAAZASSQCNFI-KGLIPLIRSA-N 304.390 2.557 0 40 DFAB COc1c(C(=O)NC[C@@H](C)Sc2ccccc2)c(C)nn1C 81110583 OGTSJBXXMGWBKW-LLVKDONJSA-N 319.430 2.648 0 40 DFAB Cn1ccnc1CN1CCOc2ccc(Br)cc2C1 225787554 UIWAFJPAJFJNEC-UHFFFAOYSA-N 322.206 2.577 0 40 DFAB C[C@@H](CNC(=O)CCc1cccnc1)Oc1ccccc1F 80751569 ZSFVTTMIJSWVLE-ZDUSSCGKSA-N 302.349 2.737 0 40 DFAB Cn1cnc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc21 95475326 YSTWVFCAVVODKS-UHFFFAOYSA-N 307.313 2.809 0 40 DFAB CCn1c(CN2CCC[C@@H](C(=O)OC)C2)nc2c(F)cccc21 96403954 UGRKWENAZRYGJZ-GFCCVEGCSA-N 319.380 2.580 0 40 DFAB CCN(CC)CC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 96440448 FSLBGCZJCASKES-UHFFFAOYSA-N 314.389 2.858 0 40 DFAB O=C(O)CCc1nc2cc(Cl)ccc2n1C[C@@H]1CCCO1 95095635 QSJCIPQVTMGNSE-NSHDSACASA-N 308.765 2.886 0 40 DFAB O=C(Cc1cccs1)NC[C@@]1(O)CCCc2ccccc21 96427026 OZLHLVFKFMLUTB-KRWDZBQOSA-N 301.411 2.631 0 40 DFAB C[C@H]1CC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1 92074209 ICAUXLUXNGIDRX-GUYCJALGSA-N 321.392 2.901 0 40 DFAB OC[C@@H](Nc1ncc(Br)cn1)c1ccc(F)cc1 96407651 BTWQVSAUKPHXOS-LLVKDONJSA-N 312.142 2.524 0 40 DFAB O=C(c1ccoc1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109228 RQYDJEPMIWRSPV-QAPCUYQASA-N 312.369 2.996 0 40 DFAB Cc1c[nH]c([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257302670 SDUMYMCIQFLHJS-MRXNPFEDSA-N 323.400 2.682 0 40 DFAB CO[C@H]1CCCOC12CCN(C(=O)c1ccccc1C)CC2 257337861 YUSVXHHJFRNVTO-INIZCTEOSA-N 303.402 2.795 0 40 DFAB Cc1cc(CNC(=O)NCCOc2ccc(C(C)C)cc2)on1 61865775 DQCDUYXRUKGLGU-UHFFFAOYSA-N 317.389 2.985 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nccnc2Cl)C1 575415047 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CCc1cccc2c(CN3CCc4nc(C)[nH]c(=O)c4C3)c[nH]c12 12185048 BTFDGKOTKAFPOM-UHFFFAOYSA-N 322.412 2.680 0 40 DFAB CC[C@H](CN1CCCC1)NC(=O)Cc1cc(C)ccc1OC 12362915 WZLOZPMERDWXAC-MRXNPFEDSA-N 304.434 2.537 0 40 DFAB Cn1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 13994002 NIVDTKRSJDPWNZ-QGZVFWFLSA-N 303.381 2.740 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cnc(C)cn2)cc1 15652046 KUGGXBDUCDSJME-JZJYNLBNSA-N 324.409 2.746 0 40 DFAB CC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)C(C)C 15987563 BZKIUEYDBSXSTM-UHFFFAOYSA-N 319.430 2.661 0 40 DFAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 413219 CJAAKUIFYCEHED-UHFFFAOYSA-N 308.407 2.565 0 40 DFAB O=c1c2sccc2ncn1Cc1noc(-c2cccs2)n1 31788844 RMPIPJPGKXOFLI-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 32398841 NZFNVSCSKMRGQK-UHFFFAOYSA-N 324.424 2.873 0 40 DFAB CCCN[C@H](CC(=O)Nc1c(CC)cccc1CC)C(=O)O 5258182 YUJPOJYSQNZTML-CQSZACIVSA-N 306.406 2.593 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 9827713 WWPIJQZHQIKPKH-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB c1nc(C2CC2)cc(N2CCC(Oc3nccs3)CC2)n1 2086882991 NQKCAQDZKOJQRO-UHFFFAOYSA-N 302.403 2.858 0 40 DFAB Cc1nc(CN2c3ccccc3N(C3CC3)S2(=O)=O)cs1 585147777 BHFZQMJHNIXUQJ-UHFFFAOYSA-N 321.427 2.685 0 40 DFAB O=C(O)c1ccc(Cn2c(=S)[nH]c3ccsc3c2=O)cc1 100026389 HFBBETQVOXCNFI-UHFFFAOYSA-N 318.379 2.867 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 74496 BUNSEWSNLIECHN-UWVGGRQHSA-N 323.336 2.503 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCOc2ccccc21 31703532 BQXWUPQVCJXYOR-ONGXEEELSA-N 303.280 2.594 0 40 DFAB COc1cc([C@@H]2SC=C3Sc4nnc(C)n4N32)ccc1O 20746147 RVWSBKDNPBUMEI-LBPRGKRZSA-N 320.399 2.589 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)OC(C)(C)C 32743629 DWZTXIJRWBSMTI-GFCCVEGCSA-N 304.390 2.879 0 40 DFAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 32818074 NGIBLFGJOQVAFI-INIZCTEOSA-N 323.396 2.501 0 40 DFAB COc1ccc([C@]2(C(=O)O)CC(C)=C(C)C[C@H]2C(=O)O)cc1 1728095 PENVFJHOMUNOFK-WMLDXEAASA-N 304.342 2.849 0 40 DFAB CCN(C)c1ccc(C(=O)Nc2nc(C(C)C)nn2C)cc1 78596780 SDSSJCJOEPNTCT-UHFFFAOYSA-N 301.394 2.647 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CC[S@@](=O)C2)c(C)n1C1CCCCC1 78963654 MJFJDGGNYFMXBH-PEBXRYMYSA-N 322.474 2.861 0 40 DFAB O=C1CN(C(=O)Nc2ccccc2Cl)[C@H]2CCCC[C@@H]2N1 79104114 JDNFPRGDMBKJPP-STQMWFEESA-N 307.781 2.615 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(Cl)cc2F)C1 79299376 SEGWWFUOKWTJJH-JTQLQIEISA-N 315.776 2.978 0 40 DFAB O=C(NCCSCc1ccccc1)[C@@H]1CCc2cn[nH]c2C1 79316556 DQOFNAKLWYJZAV-CQSZACIVSA-N 315.442 2.564 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1coc(-c2cccs2)n1 102793422 SOJDJNPYBAFIMN-TXEJJXNPSA-N 314.366 2.854 0 40 DFAB Cc1ccc(-c2csc3nc(-c4nnc[nH]4)[nH]c(=O)c23)cc1 102747932 MLNIXGMGTDHERA-UHFFFAOYSA-N 309.354 2.745 0 40 DFAB Cn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O 6679719 IXNHMGQLNKJIRV-UHFFFAOYSA-N 324.764 2.603 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCCC2)cc1 22130771 PPCKGYFZWWAOJV-UHFFFAOYSA-N 324.446 2.988 0 40 DFAB O=C1COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2N1 12237784 IGGJJIFGFLZUGS-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB CCONC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 22875329 RNGQGLQQTGWXJJ-UHFFFAOYSA-N 303.337 2.572 0 40 DFAB CCN(CC)c1ccc(NC(=O)COc2cc(C)on2)cc1 23111202 KNXIZQJWZORTDQ-UHFFFAOYSA-N 303.362 2.847 0 40 DFAB O=C(CCc1ccccc1)N1CCC(c2nnc3n2CCC3)CC1 47231807 UTFWUHGJGISIED-UHFFFAOYSA-N 324.428 2.563 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H](c2cccnc2)Nc2ncnn21 2919230 FPDIORODUOBYBN-GJZGRUSLSA-N 307.357 2.828 0 40 DFAB Cc1ccc(CN(C)CN2C(=O)C(=O)c3ccccc32)c(C)c1 24044858 SLLSMMWABFHOLK-UHFFFAOYSA-N 308.381 2.922 0 40 DFAB O=C(Nc1ccccc1)C1CCN(C[C@@H]2CCCCO2)CC1 24855620 GVRIVNWMXASYOO-KRWDZBQOSA-N 302.418 2.906 0 40 DFAB O=C(NCc1nncn1C1CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 106450962 WGXYQRCUBFUNLT-KGLIPLIRSA-N 316.792 2.686 0 40 DFAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3C3CCCCC3)nn12 55599638 FWOHKWGRMIATMW-CQSZACIVSA-N 313.405 2.618 0 40 DFAB CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccc(F)cc21 101373052 XNKISPXJYZTFMX-QGZVFWFLSA-N 312.344 2.592 0 40 DFAB COc1ccc(OCCNC(=O)c2cc3ccccc3[nH]2)cc1 12568797 JLOIFMSVMVMAPU-UHFFFAOYSA-N 310.353 2.985 0 40 DFAB O=C(COc1ncnc2ccccc12)Nc1ccc(F)c(F)c1 3258717 JADFYYBYEMWZJI-UHFFFAOYSA-N 315.279 2.926 0 40 DFAB CC(=O)N1CCC(NC(=O)/C=C/c2ccc(C)c(Cl)c2)CC1 44870877 IMXWFEQTMKPPFQ-AATRIKPKSA-N 320.820 2.789 0 40 DFAB O=C(c1ccsc1)N1CCC[C@H](c2nnc3ccccn23)C1 44894105 WMIMEUQFHNGVLV-LBPRGKRZSA-N 312.398 2.811 0 40 DFAB C[C@@]1(CNC(=O)NCCC[C@H]2CCCCO2)CCCS1 97138040 QNTHFKWSDJTUOB-HIFRSBDPSA-N 300.468 2.921 0 40 DFAB Cc1cc(C)nc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)n1 27975494 PFWXQSWEUYJJJO-CYBMUJFWSA-N 311.385 2.988 0 40 DFAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cnn1C 58392964 MFAYMDCGWFTDEJ-HZPDHXFCSA-N 317.364 2.518 0 40 DFAB CC(C)C(=O)Nc1ccc(OCc2nnc(C3CC3)n2C)cc1 97114887 ZUFNRFCISHOXGC-UHFFFAOYSA-N 314.389 2.866 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2cnn(C)c2)[C@@H](C)CO1 97109213 QFHVJUVEEKCXHH-BBRMVZONSA-N 314.389 2.722 0 40 DFAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC[C@H]1CCCO1 28297083 ZDGVZHQOOXTXFJ-IAGOWNOFSA-N 316.445 2.696 0 40 DFAB NC(=O)[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1 11508269 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40 DFAB C[C@H]1CC(C)(C)N(C(=O)[C@H](C)S(C)(=O)=O)c2ccccc21 97232408 MHKGFIAMPOAJJW-RYUDHWBXSA-N 309.431 2.739 0 40 DFAB O=C(O)c1ccc(C(=O)N[C@@H](c2nccs2)C2CC2)cc1 96479874 SFQGZNYPTJHOCI-GFCCVEGCSA-N 302.355 2.722 0 40 DFAB CCc1c(NC(=O)N2CCO[C@@H](C)[C@H]2C)cnn1CC(C)C 96499594 BMIYOYAHAGMRSU-OLZOCXBDSA-N 308.426 2.743 0 40 DFAB O=C1N[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)CS1 96444619 FQXQALFXMXQNJR-VXGBXAGGSA-N 310.806 2.829 0 40 DFAB Cn1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)ccc1=O 84314473 YUSPQEWVDDOIRW-UHFFFAOYSA-N 321.380 2.952 0 40 DFAB C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)c2ccccc2NC1=O 72488761 PHHOUBPZTYTUEW-LLVKDONJSA-N 314.389 2.962 0 40 DFAB COc1cccc(NC2CCN(Cc3nccn3C)CC2)c1 71897359 WTAGRHGPYXJYMS-UHFFFAOYSA-N 300.406 2.505 0 40 DFAB O=C(/C=C/c1cnccn1)Nc1ccccc1CN1CCCC1 84504681 WUENFTHNUGEROB-BQYQJAHWSA-N 308.385 2.724 0 40 DFAB Cc1cc(Sc2nc3ncccn3n2)nc(C(C)(C)C)n1 71915100 CXHGAWPLQXJANA-UHFFFAOYSA-N 300.391 2.671 0 40 DFAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CNC(=O)c1ccsc1 71908588 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Cc1ccc(C[C@H]2CCCN2CC(=O)NCc2cccnc2)cc1 75138240 LMTUYPLEAFLJKX-LJQANCHMSA-N 323.440 2.713 0 40 DFAB Cc1nnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1 89740817 ZUUMVQWVYMDPFS-KCJUWKMLSA-N 324.431 2.902 0 40 DFAB CO[C@H](C)c1nc(CN2CCN(c3ccncc3)CC2)cs1 89913573 UXKZKGUMFKGQHP-CYBMUJFWSA-N 318.446 2.568 0 40 DFAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1 408731038 KCKQEBDMPPMFSI-RAXLEYEMSA-N 311.293 2.801 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccccn2)on1 43181409 DCPRODHQXSRRFC-OCCSQVGLSA-N 300.362 2.986 0 40 DFAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)N2CCCC2)CC1 36396869 SVBXGSXOXDPJKZ-UHFFFAOYSA-N 319.380 2.692 0 40 DFAB Cc1nc2ccccc2nc1NC[C@@H](C(C)C)N1CCOCC1 30003851 SDQYQJPSYFNREO-KRWDZBQOSA-N 314.433 2.707 0 40 DFAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 36635753 CTBZWMOZOSNRJL-AWEZNQCLSA-N 314.316 2.578 0 40 DFAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1 409096443 KJOQOJOEDCPMBA-MDWZMJQESA-N 319.382 2.983 0 40 DFAB CN1CCCC[C@@]1(C)C(=O)N1CCC(c2ccccn2)CC1 72367321 QXFNMDQBIBQOIO-SFHVURJKSA-N 301.434 2.662 0 40 DFAB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCCCC3)cc1 35572302 BJDJTDDWFIQFLD-AWEZNQCLSA-N 303.358 2.581 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@](O)(c1ccccc1)C1CC1 70966123 FAVDRAXSGWFZLQ-IBGZPJMESA-N 313.372 2.782 0 40 DFAB CCOC(=O)C1=NN(c2cc(Cl)ccc2C)[C@@](C)(C(=O)O)C1 71979519 JNCJXUFTIPFWKO-OAHLLOKOSA-N 324.764 2.621 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCOCC1(C)C 78395027 MCWVXEOFAVSIPK-UHFFFAOYSA-N 300.358 2.901 0 40 DFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc2[nH]ccc12 71288400 HZMXQVFEQWTGOK-UHFFFAOYSA-N 318.336 2.586 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 225547568 NGYFKOPNESUJHS-FOGDFJRCSA-N 315.822 2.816 0 40 DFAB CSCC[C@](C)(O)CNC(=O)Nc1ccccc1Cl 75157684 CHPWICZFTAIPBF-ZDUSSCGKSA-N 302.827 2.966 0 40 DFAB CCOC(=O)c1c(C)nc2c(Br)cc(Cl)nn12 228961837 QCIVIILPUWWWDN-UHFFFAOYSA-N 318.558 2.630 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CCC[C@H](Oc2cccnn2)C1 225453920 PBUPXJLHTROGOD-ZDUSSCGKSA-N 322.368 2.642 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2ccccc2)c(OC)c1 134198326 HOMVNPNGBVQKDS-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB NC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 133153206 XJPRMSXGVBPLAM-UHFFFAOYSA-N 324.380 2.682 0 40 DFAB O=C(O)c1cccc(CNC(=O)C2(c3cccc(F)c3)CC2)c1 195541943 QHHNSGQBWYRZQA-UHFFFAOYSA-N 313.328 2.872 0 40 DFAB CC(=O)N1CCc2cc(C(=O)O[C@H](C)C(F)(F)F)ccc21 96443059 ISURBQIBZMHBCK-MRVPVSSYSA-N 301.264 2.703 0 40 DFAB CC[C@@H](C)n1cnc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)c1 96472541 QFJQJVXSRGMPRI-MCIONIFRSA-N 311.451 2.807 0 40 DFAB CCOC[C@H]1CCC2(CCN(Cc3csc(C)n3)CC2)N1C 96207126 IBADYQAXGUBGJS-MRXNPFEDSA-N 323.506 2.917 0 40 DFAB Cc1nc([C@H](NC(=O)c2ccc[nH]2)c2ccc(Cl)cc2)no1 92701168 BKYCIGNIZYNKOB-CYBMUJFWSA-N 316.748 2.879 0 40 DFAB C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C1CCOCC1 95416938 ARINJLCZVLWKNQ-NSHDSACASA-N 306.410 2.711 0 40 DFAB C[C@H](CC(=O)N[C@@H]1C[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C 96430705 CTTDYOACYUWLGC-BPLDGKMQSA-N 318.417 2.962 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccncc1C)CO2 95438159 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Cc1ncc(CNC(=O)N2CCOC[C@@H]2c2ccccc2)s1 73868540 NWRQBZKZHPOBIG-OAHLLOKOSA-N 317.414 2.735 0 40 DFAB COc1ccc(/C=C2\SC(=N)NC2=O)cc1Br 5027422 WZIAOIMRPWAIKR-UITAMQMPSA-N 313.176 2.596 0 40 DFAB CCC(=O)NCCc1csc2nc(-c3cccs3)nn12 5166296 NHFNMBZGYRCESR-UHFFFAOYSA-N 306.416 2.588 0 40 DFAB C[C@@]1([C@H]2CC[C@@]3(C)C(=O)CC[C@H]3[C@H]2CO)CCC2CC1(O)C2 5567140 QSUQXTWOXHXRAN-NMCIMDFJSA-N 306.446 2.932 0 40 DFAB Cc1ccc(NC(=O)c2nc3ccccc3n3cnnc23)cc1 13365180 JZFBUTQANPFIIS-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB CC1CCN(CCCNC(=O)COc2ccc(Cl)cc2)CC1 13670267 BKMBYBQJHAZOQS-UHFFFAOYSA-N 324.852 2.957 0 40 DFAB COC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 14673893 ZXWWIKUWIAWWLB-UHFFFAOYSA-N 313.353 2.834 0 40 DFAB CC(=O)Nc1ccc(O[C@H](C)C(=O)N2CCCCCC2)cc1 15369033 OSRWHCHWXQPGHZ-CYBMUJFWSA-N 304.390 2.815 0 40 DFAB CCNC(=S)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 18009639 CSXPMDLZKZSDFZ-LBPRGKRZSA-N 302.447 2.945 0 40 DFAB COc1ccc2oc(C(=O)N[C@H](C)c3cn(C)nc3C)cc2c1 19583668 UGBTZTKUZOFHBV-SNVBAGLBSA-N 313.357 2.974 0 40 DFAB COC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCOCC1 19592459 WTIBTQGBPKSJPX-LBPRGKRZSA-N 321.348 2.679 0 40 DFAB Cc1cnc([C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)cn1 1848352128 NYVPLOUZZAMRHI-GOSISDBHSA-N 308.385 2.840 0 40 DFAB O=c1c(=O)n(CC2CCC2)ccn1Cc1cccc(Cl)c1 2086939636 UVRHDSHUXBZUMG-UHFFFAOYSA-N 304.777 2.512 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccc(C(C)=O)cc2)n1 193493 JVQPLILDHUISBI-UHFFFAOYSA-N 318.354 2.775 0 40 DFAB Cc1cccc(-c2nnc(SCC(=O)N3CCCC3)o2)c1 417824 IPQVTUGNOPYPTI-UHFFFAOYSA-N 303.387 2.760 0 40 DFAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CC1 11694415 PHIZVGQLXFZEPS-UHFFFAOYSA-N 303.337 2.692 0 40 DFAB CC(C)c1cc(=O)n(CC(=O)Nc2cnc3ccccc3c2)cn1 38510099 ISKGTRRRUVZBED-UHFFFAOYSA-N 322.368 2.554 0 40 DFAB CC1(C)CC(=O)c2c(oc3ccc(NS(C)(=O)=O)cc23)C1 5516200 NNSCMOUQAPRRGR-UHFFFAOYSA-N 307.371 2.959 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)CC2CCCC2)cc1 32800740 MCVORTBVUVGEAC-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB CN(Cc1cccs1)C(=O)c1ccc2c(c1)CCC(=O)N2 32836638 NKTKSQLLQACAHE-UHFFFAOYSA-N 300.383 2.905 0 40 DFAB Cc1cc2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc2[nH]1 29879583 HGLQVYDARZFGNS-UHFFFAOYSA-N 318.336 2.965 0 40 DFAB OCCn1ncc2c1CCC[C@@H]2NCc1cccc(Cl)c1 37169281 CJAMUMQMAWCZAL-HNNXBMFYSA-N 305.809 2.696 0 40 DFAB O=C(NCCc1ccco1)c1cc(Br)ccc1O 32988873 XJOZUGVZTDJHND-UHFFFAOYSA-N 310.147 2.720 0 40 DFAB CS(=O)(=O)c1cccc(OCCSc2ccc(O)cc2)c1 77934588 CXTIOIPAAUVVIC-UHFFFAOYSA-N 324.423 2.967 0 40 DFAB C[C@H]1COC2(CCN(C(=O)c3ccc(Cl)s3)CC2)O1 78845688 HAGVXWJIONTPMN-VIFPVBQESA-N 301.795 2.769 0 40 DFAB Cn1cc(C(=O)Nc2cccc(Oc3ccncc3)c2)ccc1=O 78806396 RZGIAJRFMYIATG-UHFFFAOYSA-N 321.336 2.825 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 52841701 MIRMGZAFULRPOB-CQSZACIVSA-N 323.396 2.998 0 40 DFAB CN(CC(=O)Nc1nncs1)Cc1ccc(C(C)(C)C)cc1 52929150 IEMCDTJSEOAZDY-UHFFFAOYSA-N 318.446 2.906 0 40 DFAB COc1ccc([C@@H](C)Nc2ncnc3c2cnn3C)cc1F 22018830 GRMAIBDQHUBKJN-SECBINFHSA-N 301.325 2.684 0 40 DFAB COC(=O)c1ccc(OC(=O)c2cccnc2SC)cc1 515989 ZWDCHZMJDLBPPA-UHFFFAOYSA-N 303.339 2.809 0 40 DFAB NC(=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 6575582 SNJMYSRFCWZBMT-CQSZACIVSA-N 302.761 2.861 0 40 DFAB CC(C)(C)Oc1c(F)cc(NC(=O)NCCCO)cc1F 97083165 CDOGJZJUEGESSE-UHFFFAOYSA-N 302.321 2.646 0 40 DFAB c1cc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)cs1 107199322 DHUZUPDLTNVSTQ-DLBZAZTESA-N 306.475 2.823 0 40 DFAB O=C(NCC[C@H]1CCCO1)c1ccc(OC[C@H]2CCCO2)cc1 23189260 GQDMJSIXIBUWRA-NVXWUHKLSA-N 319.401 2.543 0 40 DFAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC1 23818107 HJWROOHLBGERQZ-UHFFFAOYSA-N 318.380 2.839 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CCCO1 3199378 BRXSNBVIABPELA-ZDUSSCGKSA-N 319.792 2.743 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 106526361 XXFXEUKKLKMYAT-QEJZJMRPSA-N 321.442 2.646 0 40 DFAB COc1cc(C)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 43405536 KFMZQXRAWGFSHQ-VXGBXAGGSA-N 308.378 2.653 0 40 DFAB Cc1cccc(-n2nnnc2C(C)(C)NCc2ccccc2)c1 35622482 FQXHFUMKNMGIBJ-UHFFFAOYSA-N 307.401 2.996 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCn2cccc2[C@H]1C 72297108 TZQQSZDMVHSFBC-SWLSCSKDSA-N 314.433 2.620 0 40 DFAB NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 3234967 NZKHAGGNRKTFGF-UHFFFAOYSA-N 309.774 2.614 0 40 DFAB O=C(Nc1cnn(-c2ccccc2)c1)N[C@H](CO)c1ccccc1 72294528 WOEHABMUXFAJKA-QGZVFWFLSA-N 322.368 2.727 0 40 DFAB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc(F)c(Cl)c1 10028289 XDRXHSMVHMAXIP-ZCFIWIBFSA-N 300.746 2.717 0 40 DFAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 3201176 WVBRKQMHYJPLHK-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB Cc1noc([C@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 58159625 DGRDLFYDAXRQSK-JTQLQIEISA-N 323.418 2.715 0 40 DFAB CC[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccccc1 58208615 LAIVFWHDVQPCJR-ZIAGYGMSSA-N 311.447 2.508 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)c2c(F)cccc2F)CC1 58281777 ZGRZEZNDOORMCU-UHFFFAOYSA-N 324.371 2.732 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1cccnc1N1CCCC1 48171602 NIYWMBAKCRLKBP-UHFFFAOYSA-N 300.362 2.939 0 40 DFAB Cc1ccc(CNC(=O)NCc2cccnc2N(C)C)s1 44968266 QSIQJPAYZDGJLT-UHFFFAOYSA-N 304.419 2.517 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cs1 44918288 QHIKTPKBCOIZNW-QMMMGPOBSA-N 321.324 2.516 0 40 DFAB CCN(CC)CCC[C@H](C)NC(=O)c1cccc2cn[nH]c12 58326002 UZDGJPPWKMPDCA-ZDUSSCGKSA-N 302.422 2.803 0 40 DFAB Cc1cnc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cn1 58357677 JONUTIQFYSFXIR-UHFFFAOYSA-N 321.340 2.928 0 40 DFAB CSc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 108243016 KGXUSEIJQKSBIH-LBPRGKRZSA-N 311.403 2.929 0 40 DFAB CC[C@H](NC(=O)c1cc(C)nc2ncnn12)c1ccc(C)cc1 36619077 NOUXEUXIFCRNRK-AWEZNQCLSA-N 309.373 2.622 0 40 DFAB Cc1n[nH]cc1CNC(=O)c1cc(F)ccc1Br 37983023 VLYRGCOZONDPHO-UHFFFAOYSA-N 312.142 2.550 0 40 DFAB NC(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 36727977 JTMGGUFIVCNARU-UHFFFAOYSA-N 322.286 2.734 0 40 DFAB O=C(CNC(=O)Nc1ccccc1)Nc1ccc(F)c(F)c1 11772893 FWRQLKWVBDHCHC-UHFFFAOYSA-N 305.284 2.725 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)NCCC1=CCCCC1 29690157 HDKXFIBLMMWEMH-UHFFFAOYSA-N 307.415 2.710 0 40 DFAB COC(=O)c1ccoc1CSc1nnc(-c2ccncc2)o1 12973035 PIAHLFLMRXQMAX-UHFFFAOYSA-N 317.326 2.804 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Cl)cc1 3608644 ZYKDLKQDTZOTAC-UHFFFAOYSA-N 313.744 2.689 0 40 DFAB CN(c1ccccc1)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 13345376 KARHINABIVFAGH-FMIVXFBMSA-N 317.366 2.610 0 40 DFAB COc1ncccc1NC(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 83915404 VSWLJWYQPNOZFW-TZMCWYRMSA-N 301.321 2.907 0 40 DFAB COC(=O)c1cccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c1 14187104 FUFJCEDUEWOBMM-ZIAGYGMSSA-N 304.415 2.977 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nccc(-c2cccs2)n1 97164933 IRTHPJNRTMFRKF-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB COC[C@H](C)C(=O)NC1CCN(c2cc(C)ccc2F)CC1 97163957 XFPDGBXHPNYDQN-ZDUSSCGKSA-N 308.397 2.502 0 40 DFAB COc1ccc([C@H]2CCCN2Cn2ncn(C)c2=S)cc1 14210696 CSQQYZOUKJVXMR-CQSZACIVSA-N 304.419 2.754 0 40 DFAB O=S(=O)(N[C@H]1CCc2ccccc21)c1c[nH]c2ncccc12 79354703 HJNZXABJOMCRIZ-AWEZNQCLSA-N 313.382 2.529 0 40 DFAB CO[C@H]1CCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 96003173 LTRAHJNRDMFPSZ-KBPBESRZSA-N 308.388 2.950 0 40 DFAB COc1cccc(CN2CC[C@@H](CN3CCCC3)C2)c1OC 93597647 DMUHFOBMZWGKMP-HNNXBMFYSA-N 304.434 2.622 0 40 DFAB C[C@H](CC(N)=O)NCC(C)(C)c1ccccc1Br 90590783 ZEHUUFSESVLPDP-SNVBAGLBSA-N 313.239 2.580 0 40 DFAB COCCNc1nc(-c2[nH]c(C)c(C(=O)OC)c2C)cs1 7843516 FINYOHIAKISURB-UHFFFAOYSA-N 309.391 2.600 0 40 DFAB O=C(Nc1ccc(F)cc1F)N(CCCO)Cc1ccncc1 72311303 PNLQFDBTEMFRHB-UHFFFAOYSA-N 321.327 2.776 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)c1 70011194 JPVACVXJXOKMTP-SFHVURJKSA-N 309.413 2.985 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 69464541 RFCQTUWHHDAAPJ-ZDUSSCGKSA-N 306.797 2.959 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@H](O)c2ccc(F)c(F)c2)cn1 69659039 MFTIISYDWZSPAN-CVEARBPZSA-N 307.344 2.569 0 40 DFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 69870819 GBIXFQZNGGAWEI-HNNXBMFYSA-N 321.384 2.751 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2nccs2)CC1 71824414 UQTIDQAILYUUKX-GJZGRUSLSA-N 313.426 2.595 0 40 DFAB Cn1c([C@@H]2CCCN2C(=O)C[C@H]2CCCO2)nc2ccccc21 71839204 TVRNRTMQWJKFRC-CJNGLKHVSA-N 313.401 2.806 0 40 DFAB COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](OC)C1 71884685 XOSJMSSEEUMQSJ-GDBMZVCRSA-N 305.418 2.901 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cl)nc2)cn1 72404778 VONNEJYSHKWMTM-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB O=C(CCc1ccccc1)N1CCN(c2ncccc2F)CC1 84484975 DZWAIKBHUNVRIG-UHFFFAOYSA-N 313.376 2.502 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2c2ncnc3[nH]ccc23)n1 95351533 VCGHDFDYBKSKTE-CQSZACIVSA-N 310.405 2.830 0 40 DFAB CCN1CCN([C@H](C)CNc2ncccc2C(F)(F)F)CC1 84789269 YIQCZXHLMFCIFA-GFCCVEGCSA-N 316.371 2.538 0 40 DFAB CNC(=O)c1ccc(NC(=O)CCC(F)(F)F)c(Cl)c1 95447389 AYWIWQWFICWGNT-UHFFFAOYSA-N 308.687 2.981 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)c1occc1-c1ccc(F)cc1 95434819 UMWPSSDTCHNOPY-YGRLFVJLSA-N 323.389 2.928 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 88211639 PWXIKQSOXGDUTH-LLVKDONJSA-N 301.264 2.799 0 40 DFAB COCc1ccc(SCC(=O)Nc2c(C)n[nH]c2C)cc1 89522901 FYGSJSUBJOSLJG-UHFFFAOYSA-N 305.403 2.904 0 40 DFAB Cc1ocnc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 89763148 DCPDNTNZWPHFAW-ZDUSSCGKSA-N 306.749 2.930 0 40 DFAB CCCCc1noc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1 89954873 KZFUDGSPNMIGMO-RYUDHWBXSA-N 318.425 2.752 0 40 DFAB COc1ccc(-c2cccc3nc([C@@H]4CNCCN4C)cn23)cc1 306138258 RTPQGUTZNBJFBF-SFHVURJKSA-N 322.412 2.586 0 40 DFAB CCOc1ccccc1C(=O)NC[C@H](O)c1cccc(OC)c1 78929819 WJJPEXOVWDMCBC-INIZCTEOSA-N 315.369 2.557 0 40 DFAB C[C@H](C1CC1)N1CC(Br)=C(Br)C1=O 217580137 MRWMQSHWVLOJHQ-RXMQYKEDSA-N 309.001 2.629 0 40 DFAB C[C@H](NC1(CNC(=O)[C@H]2C[C@@H]2C)CCOCC1)c1ccccc1 79096249 SYOBOMBPOZRWFH-ZOBUZTSGSA-N 316.445 2.659 0 40 DFAB O=C(COC(=O)c1ccccc1F)NCc1ccc(F)cc1F 72333840 DQNOXUVPWQVENF-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB CC[C@H](C(=O)N1CC2(COC(C)(C)OC2)C1)c1ccccc1 70971735 JYHGTERSYUQTMO-HNNXBMFYSA-N 303.402 2.792 0 40 DFAB CCOC(=O)c1cc(I)ccc1N(C)C 39951602 BMXBRDGYDKAUMA-UHFFFAOYSA-N 319.142 2.534 0 40 DFAB COCCNC(=O)c1ccc(NCc2cc3ccccc3[nH]2)nc1 79031007 RTQMTTDNABOJDY-UHFFFAOYSA-N 324.384 2.551 0 40 DFAB Cc1[nH]c2ccccc2c1C1=CCN([C@@H](C)c2nnnn2C)CC1 189681042 UJGGDZMCGZRCHO-ZDUSSCGKSA-N 322.416 2.850 0 40 DFAB Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)ccn1 79001831 PFDXCRWNYQBNBK-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB COC(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1C 44625898 YVLYGBAUTCEDLC-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1ccc(C2(C(=O)Nc3nccc(C)n3)CCOCC2)cc1 194678589 VMCXOSNANCWQPX-UHFFFAOYSA-N 311.385 2.780 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 40160915 FKTDVUANOPRNPY-HBWSCVEGSA-N 305.349 2.641 0 40 DFAB CC(C)c1noc(CN2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 613210812 QWEGJARJFJUTMY-GASCZTMLSA-N 312.417 2.761 0 40 DFAB Cc1scc(C(=O)NCCOc2ccc(C(=O)O)cc2)c1C 572107834 CQTNXWKXOCZESA-UHFFFAOYSA-N 319.382 2.872 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2N)CC1 226265270 BEFHHLCTHXWHMV-UHFFFAOYSA-N 324.428 2.663 0 40 DFAB CCOC[C@@H](OCC)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 199783781 BUGHHOWKGXSPMY-QGZVFWFLSA-N 316.401 2.783 0 40 DFAB CC(C)c1n[nH]c(NC(=O)c2cccc(Nc3ncccn3)c2)n1 95473955 MVHKRNGUSYUOQT-UHFFFAOYSA-N 323.360 2.714 0 40 DFAB Cc1csc([C@H](C)CNC(=O)NCCc2ccncc2C)n1 96502890 WNEUPIIWUIEMSD-GFCCVEGCSA-N 318.446 2.800 0 40 DFAB O=C(NCc1cc(F)ccc1F)Nc1ccn(CC(F)F)n1 96452296 RIFFDHVBGDIZFG-UHFFFAOYSA-N 316.258 2.748 0 40 DFAB CCCCn1c(S(=O)(=O)C[C@@H]2CCCCO2)nc(C)c1C 96451865 RALGFNNIXXSSFY-AWEZNQCLSA-N 314.451 2.643 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1C 96229687 SWTAAJSHQDMTNM-IBGZPJMESA-N 314.429 2.921 0 40 DFAB CCc1cc(C)c(C(=O)N2CCOC[C@@H]2c2cccn2C)o1 97379462 PIIGWKWKYGCPKL-OAHLLOKOSA-N 302.374 2.703 0 40 DFAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2occc2C)c1 96426587 YSCXZZCYTGZEDA-UHFFFAOYSA-N 308.359 2.520 0 40 DFAB COc1ccccc1[C@H]1Cn2ccnc2CN1Cc1cc(C)on1 257298168 RKLQBQTUUWKOLU-MRXNPFEDSA-N 324.384 2.945 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 257204759 AWESRUWXHFUJAA-CYBMUJFWSA-N 323.400 2.689 0 40 DFAB Cn1nc(-c2ccsc2)cc1NC(=O)NCC(F)(F)F 252489228 JLNXONOSRYIING-UHFFFAOYSA-N 304.297 2.832 0 40 DFAB Cc1cccc(CC(=O)N[C@H](Cn2nccn2)c2ccccc2)c1 253401221 MQAYSGYVFQUXCB-GOSISDBHSA-N 320.396 2.687 0 40 DFAB CC1(C)COc2c(C(=O)N[C@@H]3CCC[C@H](CO)C3)cccc21 298543310 YDMRQTWDPISSEP-QWHCGFSZSA-N 303.402 2.638 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2cccnc21 585139981 SQBZCKKEORMCBR-LLVKDONJSA-N 318.760 2.928 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCCN(Cc2cccnc2)C1 585274809 OFFCAJQKFCHMMU-LJQANCHMSA-N 312.413 2.796 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)C[C@@H]2C1 585260800 ZIAJXNXGIHBSKG-ZSHCYNCHSA-N 312.413 2.984 0 40 DFAB CCc1noc([C@H](C)N2CCN(Cc3cccs3)CC2)n1 44341822 LCHQIXPAGSHBQB-LBPRGKRZSA-N 306.435 2.572 0 40 DFAB CCO[C@H]1C[C@](O)(CNc2ncnc3ccsc23)C1(C)C 682723030 KKYNKIJGOPGKHD-NHYWBVRUSA-N 307.419 2.669 0 40 DFAB COc1ccnc(N2CCC[C@@H]2c2c(C)nn(C)c2Cl)n1 72276548 IUNAHGALDBXCKM-SNVBAGLBSA-N 307.785 2.522 0 40 DFAB COC(=O)[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1 83891544 IPSCLUNITKTSRG-CQSZACIVSA-N 317.414 2.733 0 40 DFAB CC[C@@H](CNC(=O)Nc1nnc(C(C)C)s1)N1CCCC1 89943421 NAMUHSMGBMAMKJ-NSHDSACASA-N 311.455 2.657 0 40 DFAB CCC1(CC)[C@@H](NC(=O)c2ccc3[nH]cnc3c2)C[C@H]1OC 95970893 QLRDRUGJSMUIBZ-LSDHHAIUSA-N 301.390 2.886 0 40 DFAB CC[C@](C)(CO)NC(=O)Cc1cccc2ccc(OC)cc12 97081750 MPVNNSAZDVVRJX-GOSISDBHSA-N 301.386 2.668 0 40 DFAB CN(c1ccccc1)c1nc(=O)c(Cc2ccc(F)cc2)n[nH]1 5154474 JYDCJAAORPDJDP-UHFFFAOYSA-N 310.332 2.663 0 40 DFAB O=C(NCCCc1ccccn1)c1cccc(N2CCCC2=O)c1 12148602 RYEMBNDEFCBKJO-UHFFFAOYSA-N 323.396 2.571 0 40 DFAB COc1ccccc1NC(=O)COc1cc(C)ccc1C(=O)O 13084479 KGWJLCHMHBWJQE-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB O=C(O)[C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1 13434573 KQJBEHXUEBESFS-AWEZNQCLSA-N 317.728 2.832 0 40 DFAB CC(C)C(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 19086239 HYCDNVMZCASXNO-OAHLLOKOSA-N 324.384 2.555 0 40 DFAB Cc1cc(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)on1 19119733 QZCKLERVKUGZMD-UHFFFAOYSA-N 322.368 2.946 0 40 DFAB O[C@@H]1CCCN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C1 19717974 UEBXABJLWKFYCX-CQSZACIVSA-N 308.385 2.582 0 40 DFAB O=C(NC1CCCCC1)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888866327 ZMOUDCHWMJOKKH-CHWSQXEVSA-N 320.462 2.553 0 40 DFAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc(F)cc2)no1 25443281 NWUXENOFJPRJGD-CQSZACIVSA-N 303.337 2.898 0 40 DFAB CN(C)Cc1cncc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1614936003 SSOSJERKKJEHHC-IBGZPJMESA-N 313.445 2.774 0 40 DFAB Cc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)s1 11693678 RPADOQRXQUANLR-UHFFFAOYSA-N 324.471 2.644 0 40 DFAB COC(=O)c1ccc(Cn2cnc(-c3ccc(C)cc3)cc2=O)o1 22604834 MFDJJMPJSXBGQV-UHFFFAOYSA-N 324.336 2.647 0 40 DFAB C[C@@H](NC(=O)c1nccnc1N)c1ccc(C(F)(F)F)cc1 30115116 DLHVJCJWYHXROS-MRVPVSSYSA-N 310.279 2.569 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N3CCSCC3)cnc21 40540775 NVDQUIHJAAEEGY-UHFFFAOYSA-N 305.407 2.593 0 40 DFAB C[C@@H](CCc1ccccc1)N/C=C1/C(=O)NC(=O)c2ccccc21 102114448 AZYUFNCFMUGHEB-RAOBZKRQSA-N 320.392 2.908 0 40 DFAB COc1cc(CNC(=O)CC(C)C)ccc1OC[C@@H]1CCCO1 32930353 UMKCWHICERCYFD-HNNXBMFYSA-N 321.417 2.915 0 40 DFAB Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 1753864 WHBJXXWZKHRQMH-UHFFFAOYSA-N 319.386 2.595 0 40 DFAB O=S(=O)(N1CCC[C@@H]1c1ccco1)N1CCC[C@@H]1C1CC1 78880814 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314.414 2.603 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23224298 VXVDOVXCFVQFPP-VNHYZAJKSA-N 318.392 2.874 0 40 DFAB CCCN(CCC)CC(=O)N1c2ccccc2NC(=O)C1(C)C 36744614 BDEKTWTZOUGNNR-UHFFFAOYSA-N 317.433 2.872 0 40 DFAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C(C)C)CC2)c1 29444278 GPFXAUYCLGYEKD-KRWDZBQOSA-N 317.477 2.668 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc3ccccc3c2)C1 13170511 TVFSSBPDKOUBID-HNNXBMFYSA-N 313.353 2.542 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N(C[C@@H]1CCOC1)C1CC1 84501911 ATUAXPJGOCAVPW-APHBMKBZSA-N 303.377 2.957 0 40 DFAB COc1ccc(SCC(=O)NCc2cccnc2)cc1OC 22513893 LURYWQINDZSCQE-UHFFFAOYSA-N 318.398 2.507 0 40 DFAB C[C@H]1CCN(c2ccc(NC(=O)c3ccc4nncn4c3)cc2)C1 65565058 ZTXCEKXKYQCPEA-ZDUSSCGKSA-N 321.384 2.828 0 40 DFAB COc1ccccc1C(=O)Nc1ccccc1SCC(N)=O 14125949 XLZQUANBFMXXMR-UHFFFAOYSA-N 316.382 2.525 0 40 DFAB C[C@@H]1C[C@H](NC(=O)CCOC2CCOCC2)c2ccccc21 84541110 KSGDBEURQTVNMI-DYVFJYSZSA-N 303.402 2.937 0 40 DFAB COCCCNC(=O)c1cc2cc(Br)ccc2[nH]1 5482716 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301.323 2.915 0 40 DFAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC1CCN(C)CC1 222736697 SLEDFLCNGZCMMK-CQSZACIVSA-N 316.445 2.543 0 40 DFAB CCn1ccc2nc3nc(C)nn3c(-c3ccc(F)cc3)c2c1=O 40398532 VNUWSGYHRKVUCY-UHFFFAOYSA-N 323.331 2.574 0 40 DFAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nnnn1C 225531785 VYXDRDMVXFMLRY-MRVPVSSYSA-N 304.354 2.593 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)on1 40714786 WQZBRXHWPFBJAS-LLVKDONJSA-N 304.350 2.509 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)Cc2ccsc2)C(=O)O)c1 225484192 UHAFEBAXDTXOFY-HNNXBMFYSA-N 317.410 2.659 0 40 DFAB O=C(CCC(F)(F)F)N1C(=O)OC[C@@H]1Cc1ccccc1 83310151 XPGZSCXWDAPVIM-NSHDSACASA-N 301.264 2.919 0 40 DFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCCc1ccccc1 225743534 BATXREHGENBBDG-UHFFFAOYSA-N 320.392 2.669 0 40 DFAB C[C@@H](CNc1cnn(C)c(=O)c1Cl)c1nc2ccccc2o1 96446580 IMFZXZJEBSMTMC-VIFPVBQESA-N 318.764 2.791 0 40 DFAB CCOc1c(F)cccc1C(=O)NCc1cccnc1N(C)C 96430594 HZAOYAPDXFXYIG-UHFFFAOYSA-N 317.364 2.615 0 40 DFAB CCN1CCC[C@H]1CNC(=O)CCn1ccc2ccc(F)cc21 95473538 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CCSC1(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)CCOCC1 96444043 DHUNCTORYCZDMQ-HUUCEWRRSA-N 324.490 2.896 0 40 DFAB Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cncc(F)c1 95433545 BHAMIIHTISEQRE-UHFFFAOYSA-N 323.393 2.704 0 40 DFAB COc1csc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)c1 96446299 GBEKRJQWTRHKIC-UHFFFAOYSA-N 318.398 2.904 0 40 DFAB O=C(NC1CCOCC1)c1cncc(Cc2ccc(F)cc2)c1 257254727 KEKLCVHPPUDEMJ-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@H]2c2cccc(Cl)c2)cc1 252516043 PNUSQSAOUXUMJN-PMPSAXMXSA-N 321.829 2.915 0 40 DFAB CC(=O)N1CCC[C@H]1CCc1cncc(-c2c(C)noc2C)n1 257322935 WICFDYPATKZMQG-HNNXBMFYSA-N 314.389 2.692 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1 260692627 DPAPCDTZYOBAFG-CYBMUJFWSA-N 322.478 2.783 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1ccc(-c2ccoc2)nc1 390830591 MBZRYIORBNFTSH-UHFFFAOYSA-N 311.341 2.805 0 40 DFAB CCCC(C)(C)NC(=O)c1nnn(-c2cccc(OC)c2)c1C 50497967 YEUYLTSYNFXWFX-UHFFFAOYSA-N 316.405 2.893 0 40 DFAB CC[C@@H](NC(=O)CCNc1ncccn1)c1ccccc1OC 52748696 BKRQCIZXAKAKEH-CQSZACIVSA-N 314.389 2.555 0 40 DFAB Cc1occc1CN(C)C(=O)CCc1ccc2c(c1)OCO2 55463153 CUHRODFKTDHKNE-UHFFFAOYSA-N 301.342 2.908 0 40 DFAB CCCN1CCCN(C(=O)Nc2cc(OC)cc(OC)c2)CC1 65622215 KGWDKCFQVCNRPX-UHFFFAOYSA-N 321.421 2.653 0 40 DFAB Cc1nc(C(=O)N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)co1 72367659 IVPNMYNOULPCKQ-LBPRGKRZSA-N 310.357 2.564 0 40 DFAB CC(C)C(=O)NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O 85467535 AGULBBVQCXSNNC-INIZCTEOSA-N 320.408 2.522 0 40 DFAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 5422518 DXNGZQMKFTYECC-UHFFFAOYSA-N 322.286 2.781 0 40 DFAB CCOC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 12410667 GYTFPUWKKYTKKG-UHFFFAOYSA-N 314.366 2.991 0 40 DFAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc2nccnc2c1 12420819 RQCXTKJTKXJJCA-INIZCTEOSA-N 306.325 2.920 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 15746626 RZNRCIQHDLGKBF-GAQJKIJGSA-N 320.414 2.707 0 40 DFAB O=C(COc1ccccc1)Oc1ccc(N2CCCC2=O)cc1 19210181 BCELPVLZBWNFLO-UHFFFAOYSA-N 311.337 2.798 0 40 DFAB C[C@H]1CN([C@H](CN)c2ccccc2Br)C[C@@H](C)O1 19422086 DGRKQZVTLWFUKF-UHIISALHSA-N 313.239 2.558 0 40 DFAB CCc1nnsc1C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 19521889 PPRPCPSHJSCZOJ-SNVBAGLBSA-N 317.414 2.917 0 40 DFAB CCN1CCOc2ccc(NC(=O)C3CCCC3)cc2C1=O 9828112 FMMPKUGSWSEQST-UHFFFAOYSA-N 302.374 2.670 0 40 DFAB CCc1cccc2c(CC(=O)N[C@H]3CCCOC3)c(C)[nH]c12 12194404 TXHDKFUVVMOPTH-AWEZNQCLSA-N 300.402 2.876 0 40 DFAB Cc1sc2ncnc(Sc3nc4ncccn4n3)c2c1C 14093451 GYVWKFKSIMXCOX-UHFFFAOYSA-N 314.399 2.897 0 40 DFAB CC[C@H](CNS(=O)(=O)c1c(C)noc1C)c1ccccc1 24978938 JQCZGZOPALXOOP-CYBMUJFWSA-N 308.403 2.764 0 40 DFAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nnn[nH]3)cc2C1 40119674 BQEIFHLWCFBBIY-VIFPVBQESA-N 305.407 2.665 0 40 DFAB O[C@H](CN1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1 40497176 BJDQQUHGDHZYTC-MSOLQXFVSA-N 301.361 2.933 0 40 DFAB C[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O 148412 KTYKXXHHZUCCAG-JTQLQIEISA-N 303.289 2.930 0 40 DFAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 191110 GIMBHYZDAUDSFY-OAHLLOKOSA-N 318.373 2.665 0 40 DFAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 100710296 PXCXQJUZLKXSCU-UHFFFAOYSA-N 308.337 2.805 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccn1 32879233 GTGSKYVJVAHNPA-UHFFFAOYSA-N 307.353 2.986 0 40 DFAB Cc1ccc2cc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)c(C)nc2c1 76056046 OPFSFMCONFYOGR-SCLBCKFNSA-N 311.429 2.874 0 40 DFAB CCOC(=O)c1cc2sccc2n1CC(=O)NC(C)(C)C 1338117 UIWBGZGQSDWZGQ-UHFFFAOYSA-N 308.403 2.794 0 40 DFAB CCc1cccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 1357725 KGFAIJULIMOILL-OAHLLOKOSA-N 310.401 2.894 0 40 DFAB COc1c(C)c2c(c3c1CC[C@](C)(CCC(=O)O)O3)C(=O)OC2 1732570 LBPWEATYVDLHIT-QGZVFWFLSA-N 320.341 2.623 0 40 DFAB in-vitro O=C1C[C@H](C(=O)N2CCOc3ccccc32)c2ccccc2N1 33168081 MVKGLKFVQAPRDD-ZDUSSCGKSA-N 308.337 2.538 0 40 DFAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1C 33274036 ABXWECWQIVEBPR-HZPDHXFCSA-N 320.352 2.801 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cccc2ncccc12 22006372 DZXCGCLAFIIHIN-UHFFFAOYSA-N 306.321 2.894 0 40 DFAB CC(C)COC(=O)c1ccc(NC(=O)C[C@@H]2CCCN2)cc1 4783180 OKRYFJXDHALNET-HNNXBMFYSA-N 304.390 2.580 0 40 DFAB CC(C)CCN[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 6023193 NAYKBUMFQNUZHF-CYBMUJFWSA-N 312.797 2.758 0 40 DFAB O[C@H](CNc1ncnc2sccc12)COc1ccccc1 42105630 QUNLDJULNAXLBS-LLVKDONJSA-N 301.371 2.543 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3OCC2CC2)cc1 107265693 YEOUUQPIIUULEC-PVAVHDDUSA-N 321.442 2.573 0 40 DFAB C[C@H](Nc1ccc2nnnn2n1)c1ccc(Cl)c(Cl)c1 23055382 YVTXHQYAVLAFTI-ZETCQYMHSA-N 309.160 2.999 0 40 DFAB CC(C)c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 3189312 VIKOJJQRCVHNGW-UHFFFAOYSA-N 308.428 2.857 0 40 DFAB COc1ccccc1[C@H](CNC(=O)Nc1nccs1)N(C)C 42739004 PNLZAGLUMDAWGA-LBPRGKRZSA-N 320.418 2.576 0 40 DFAB COc1ccc(-n2cnn(CN3CCCCC3)c2=S)cc1 12534145 WROHTQRLDGDPKV-UHFFFAOYSA-N 304.419 2.855 0 40 DFAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCO1 47832594 FFJBFWCVWIRTBZ-UWVGGRQHSA-N 301.358 2.741 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 61979317 FIGULVLBIFURCE-UONOGXRCSA-N 306.381 2.698 0 40 DFAB COc1ccc(/C=C/S(=O)(=O)NCc2ccc(F)cc2)cc1 1402017 UMMLIYUQYNGFPV-ZHACJKMWSA-N 321.373 2.925 0 40 DFAB CCOc1cccc(CCNC(=O)N2CCC[C@H]2C(C)(C)O)c1 97114721 OIWQIVHTZFKLOE-INIZCTEOSA-N 320.433 2.573 0 40 DFAB CCN1CCC[C@H]1CNCc1cc2c(C)nn(C)c2nc1Cl 48275472 ACIIVDBEESVHTN-ZDUSSCGKSA-N 321.856 2.504 0 40 DFAB Cc1ccc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)c(C)n1 48236208 SBGYNGXUVLZHPB-NSHDSACASA-N 300.406 2.578 0 40 DFAB COc1ccc(NC(=O)c2ccnc(-n3ccnc3)c2)cc1OC 48210858 NITNRIPOYREJQE-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2)c1ccccc1 20431728 JYVWVIOJIKKWGI-GFCCVEGCSA-N 302.399 2.694 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)NC[C@@H]3CCCO3)sc2n1 44896847 CYIGTIFILJXITO-NSHDSACASA-N 319.430 2.779 0 40 DFAB CC(C)CCNC(=O)C1CCN(C(=O)Cc2cccs2)CC1 58265384 MDYRCWDXJRBTAK-UHFFFAOYSA-N 322.474 2.692 0 40 DFAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@H]1CCCO1 58316416 HQKPAQSEXONMDK-OAHLLOKOSA-N 322.368 2.597 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2ncccc2c1 58416923 NPISZLRQRKUSSU-NSHDSACASA-N 309.325 2.585 0 40 DFAB C[C@H](CNC(=O)CC(F)(F)F)N1CCc2ccccc2C1 45528000 KSVATTKPAQBYHH-LLVKDONJSA-N 300.324 2.502 0 40 DFAB O[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 48333167 QETLPVQIZNTKKP-GFCCVEGCSA-N 318.377 2.558 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(F)cc1)C2=O 3563711 BIEJZKYZUAOSAC-APPDUMDISA-N 318.348 2.509 0 40 DFAB CCc1noc(CNc2cc(F)ccc2OC[C@H]2CCCO2)n1 69816097 TZKAUBYDOBUTDL-GFCCVEGCSA-N 321.352 2.941 0 40 DFAB COc1cccc(C(=O)COC(=O)c2ccc(C)c(O)c2)c1 8726240 JHKGRAFCMHNAPW-UHFFFAOYSA-N 300.310 2.749 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)NCc1cccc(Cl)c1 5060729 JFECBWQAVXFEKX-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1cc[n+]([O-])cc1 64851183 ABMUGEFFSPXLQF-UHFFFAOYSA-N 300.333 2.658 0 40 DFAB C[C@@H]1CCc2sc3ncn4c(-c5cnccn5)nnc4c3c2C1 13724487 ANJPNODMPDXENR-SECBINFHSA-N 322.397 2.921 0 40 DFAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(CC)CC1 113950673 MMFCFMAMZBHTQD-INIZCTEOSA-N 304.434 2.625 0 40 DFAB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(Cl)s1 65520754 KVSFOEAPGSNARW-ZJUUUORDSA-N 303.811 2.602 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(F)c1 8924874 XJFLLBRHLNUFLT-UHFFFAOYSA-N 303.289 2.873 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cn1 66410564 QETOQCDIBOJSTN-UHFFFAOYSA-N 309.413 2.916 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 9118623 BIZCBRULOHTCAV-NSHDSACASA-N 309.369 2.514 0 40 DFAB Cc1nc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)oc1C 68855839 ZXCIPBKDISJLQO-MRXNPFEDSA-N 314.385 2.999 0 40 DFAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc[nH]n2)cc1 81329081 SNCODODAHIIZBA-INIZCTEOSA-N 313.401 2.582 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 70040734 QBXVZJNEEFLYHH-INIZCTEOSA-N 323.400 2.906 0 40 DFAB CCOc1ccc(-c2nnc(S[C@@H]3C[C@H](C)OC3=O)o2)cc1 9365674 QMMPXZBHHQXKDL-JOYOIKCWSA-N 320.370 2.931 0 40 DFAB CC(C)(C)c1nc(Cn2nc(-c3ccco3)oc2=O)cs1 69536022 GZWDSROGUJJTJO-UHFFFAOYSA-N 305.359 2.899 0 40 DFAB CC(=O)OCCC(=O)N(C)Cc1ccccc1C(F)(F)F 72313820 GHJFUCSFTGMPCO-UHFFFAOYSA-N 303.280 2.617 0 40 DFAB CC(C)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 71830015 YRDWBBGHVZRCHX-HNNXBMFYSA-N 313.401 2.503 0 40 DFAB C[C@@H](CC1CCCC1)C(=O)N(C)Cc1nnc2ccccn12 72572215 PAUZIJPEQQFXAO-ZDUSSCGKSA-N 300.406 2.904 0 40 DFAB c1ccc(CCOC2CCN(c3ncnc4[nH]cnc34)CC2)cc1 84529126 NGKVBHAQZNMWKL-UHFFFAOYSA-N 323.400 2.581 0 40 DFAB Cc1cc(CNC(=O)N(C)[C@H](C)c2sc(C)nc2C)on1 72270205 VSKSPTFETYWAKJ-SNVBAGLBSA-N 308.407 2.959 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)COc2ccccc2)cc1F 95439065 OTMYMTLWIDXGNH-CYBMUJFWSA-N 304.317 2.847 0 40 DFAB CN1Cc2ccc(NC(=O)C[C@H]3CSCCS3)cc2C1 95433575 BZKQNCOOQHCISG-AWEZNQCLSA-N 308.472 2.809 0 40 DFAB CC(C)[C@@H](Nc1ccc2nccnc2n1)c1nnc2ccccn12 95415042 FUJZLHZJBIWMCI-OAHLLOKOSA-N 319.372 2.877 0 40 DFAB CC(C)C[C@@H](C)NC(=O)N1CCCN(CC(F)(F)F)CC1 95434952 YESUGOSBCPNYTF-GFCCVEGCSA-N 309.376 2.701 0 40 DFAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cnsn1 95417662 AUMKUNKDYOQFML-CQSZACIVSA-N 323.393 2.509 0 40 DFAB CSc1nc(C)nc(C)c1C(=O)N(C)Cc1nc(C)cs1 73813534 FAXUCORROMSOFZ-UHFFFAOYSA-N 322.459 2.852 0 40 DFAB CCCN1CCC(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)CC1 73953073 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Cc1noc(C)c1Cc1nn2c(C(F)(F)Cl)nnc2s1 71284953 URRJKOKJNDPRMZ-UHFFFAOYSA-N 319.724 2.670 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1C 75081331 JZAMKIHQMJNCAW-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1cc(-c2cccc(Cl)c2)on1 47672378 DGOXSXZITVMPLQ-UHFFFAOYSA-N 315.716 2.936 0 40 DFAB Cc1cccc(C[C@H](C(=O)O)N2CCN(c3ccccc3)CC2)c1 225141022 OUVXASMDXGSORD-LJQANCHMSA-N 324.424 2.813 0 40 DFAB O=C(NC[C@H]1CCCS1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 195545613 TWPLVHVMIHZSEW-RFGFWPKPSA-N 310.463 2.529 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)c1 88777583 ZWJHMXWWFPGTPI-CQSZACIVSA-N 319.430 2.595 0 40 DFAB Cc1occc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)O2 46089225 HQYAKAVCXJJIMB-UHFFFAOYSA-N 300.314 2.950 0 40 DFAB Cc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(-c2ccncc2)n1 195565417 IOHHXBFSZMDKPL-AWEZNQCLSA-N 310.401 2.852 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C(N)=O)c1ccccc1 195530445 MVZPAGJWJORQOE-BZUAXINKSA-N 304.434 2.644 0 40 DFAB COc1cccc(CNC2CCN(Cc3ccsc3)CC2)n1 225636590 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2.815 0 40 DFAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F 13076240 MVYQTYAJKMQCRD-UHFFFAOYSA-N 315.366 2.525 0 40 DFAB COc1ccccc1N1C[C@H](C(=O)Nc2cccc(C)c2)CC1=O 16028534 REFAJFYJDIAOFL-CQSZACIVSA-N 324.380 2.995 0 40 DFAB O=c1nc(NCCc2ccccc2)[nH]nc1Cc1ccc(F)cc1 16806918 CGESLKCZDSDCLV-UHFFFAOYSA-N 324.359 2.549 0 40 DFAB c1ccc(-c2nnc([C@H]3CCCN(Cc4ccncc4)C3)o2)nc1 19403287 OZTWNVODVAEYHC-HNNXBMFYSA-N 321.384 2.906 0 40 DFAB COc1cccc(C2CCN(C(=O)C[C@H]3CCCNC3)CC2)c1 578142154 CGGMBIMOYYBCRF-OAHLLOKOSA-N 316.445 2.791 0 40 DFAB CC(C)COCCC(=O)Nc1ccccc1N1CCCC1=O 31746707 YSGWJMUCNHESGD-UHFFFAOYSA-N 304.390 2.815 0 40 DFAB O=S(=O)(NCc1ccc(C2CC2)nc1)c1ccccc1F 1565523005 DHXUUMSGMCRZQA-UHFFFAOYSA-N 306.362 2.577 0 40 DFAB CC(C)N1CCC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)C1 1565555456 IGHGNQVJDWATMY-UHFFFAOYSA-N 311.429 2.735 0 40 DFAB O=C(NCc1cccnc1)C1(c2cccs2)CCOCC1 4273110 YPCQTYBTKYWPGE-UHFFFAOYSA-N 302.399 2.508 0 40 DFAB CNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C 5144924 QYUGDYPTGFXBEM-UHFFFAOYSA-N 318.398 2.985 0 40 DFAB COc1ccccc1-c1cccc(C[C@]2(C(=O)O)CCNC2)c1 72391732 XJKOFDYIHSRBNL-LJQANCHMSA-N 311.381 2.969 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1cccs1 75156126 UKEUVVVNJLADHX-LBPRGKRZSA-N 310.806 2.934 0 40 DFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1ccccc1Cl 20488737 JEMMBADPQAOZTJ-UHFFFAOYSA-N 312.756 2.701 0 40 DFAB Cc1ccc(CC(=O)Nc2cccc(NC(=O)C3CC3)c2)cn1 40554701 FWUFWRDNXQJGNQ-UHFFFAOYSA-N 309.369 2.920 0 40 DFAB CC(C)[C@H](CNc1nc2ccccc2o1)N1CCN(C)CC1 51654854 WSXCRTQRRXYUEW-HNNXBMFYSA-N 302.422 2.512 0 40 DFAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)o1 32428279 XOVXAOJJTXHVTL-NSHDSACASA-N 304.415 2.826 0 40 DFAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1C[C@H]2C=C[C@H]1C2 101842022 ROKAYVIDCVEIDW-XLAORIBOSA-N 324.424 2.506 0 40 DFAB COc1ccc([C@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 239774 MIPQXPRHBFPMPO-HXUWFJFHSA-N 319.384 2.980 0 40 DFAB CCCc1noc([C@H](C)N[C@@H]2CCCc3c2cnn3CC)n1 76046991 CAXAIKDBLREWSP-WCQYABFASA-N 303.410 2.967 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)n[nH]1 76060065 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Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC1CC1 22972088 BFONFMFOQGQTHR-UHFFFAOYSA-N 322.412 2.958 0 40 DFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1 806721 DITQPGUQKJRJPS-CQSZACIVSA-N 324.380 2.995 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCO3)cc2F)n1 47409329 VZURAGCZXJLNLA-OAHLLOKOSA-N 303.337 2.746 0 40 DFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCCC1 23160164 UQRBNJGHKVNVBX-KRWDZBQOSA-N 320.408 2.505 0 40 DFAB Cc1cc([C@@H](C)Nc2cc(N3CCC[C@@H]3CO)ncn2)c(C)o1 72276200 GFCGXPVYUOCMOS-TZMCWYRMSA-N 316.405 2.821 0 40 DFAB Cc1nn2c(nc(N3CCN(C)CC3)c3ccccc32)c1Cl 9499599 QJVDYJNVGBUXOI-UHFFFAOYSA-N 315.808 2.596 0 40 DFAB Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)nc1 12527028 OOBGSQPVQICXAD-UHFFFAOYSA-N 316.382 2.892 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106526358 XXFXEUKKLKMYAT-AEGPPILISA-N 321.442 2.646 0 40 DFAB O=C(C[C@@H]1C=CCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107775560 DYXAHYPDQBTNSB-VKZRIFJHSA-N 305.418 2.528 0 40 DFAB C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCS(=O)(=O)CC1 72294850 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COc1ccc2[nH]cc(CCNC(=O)COc3ccccc3)c2c1 10146639 OJHCPGAEAHDKFN-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB CC(C)Cc1nc(CS(=O)(=O)c2ccc(F)c(F)c2)no1 44948347 SPWMWIFBJVRQTE-UHFFFAOYSA-N 316.329 2.520 0 40 DFAB C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccn1 44909871 DEMPWUYPKXUFGE-DOMZBBRYSA-N 318.446 2.806 0 40 DFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(n2cccc2)CC1 58427173 LEZVUCKYPSPURH-UHFFFAOYSA-N 321.380 2.807 0 40 DFAB C[C@H]1CCCCN1CCCCNC(=O)/C=C/c1ccncc1 58419869 RJXKKQRHJGTCAE-WAVCKPEOSA-N 301.434 2.866 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)N[C@H]3CCC[C@@H]3O)c2)o1 72292067 GJHDWQFIWGPUAR-KBPBESRZSA-N 301.346 2.685 0 40 DFAB O=C(Cn1cnc2ccsc2c1=O)Nc1cccc(Cl)c1 12766438 PGKYHEJCHQTIKE-UHFFFAOYSA-N 319.773 2.750 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2O)on1 11000097 OGJZMRLCMLPJCN-QMMMGPOBSA-N 324.720 2.526 0 40 DFAB Cc1cccc(NC(=O)c2occc2CN2CCOCC2)c1 48303139 LLXRRRGCIXAGOV-UHFFFAOYSA-N 300.358 2.673 0 40 DFAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F 45945754 IIESVZPMNHQRKL-UHFFFAOYSA-N 323.345 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2.640 0 40 DFAB C[C@H](NCc1cccn1CCN1CCOCC1)c1ccccc1 4681398 YVEKMLDJMIOZMW-KRWDZBQOSA-N 313.445 2.671 0 40 DFAB COc1ccccc1-n1cnnc1SCc1cc(C)on1 5702418 POFQLGSWLNKJTH-UHFFFAOYSA-N 302.359 2.865 0 40 DFAB CNc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 7103226 KXNYRJQBVDDMNY-NSHDSACASA-N 320.443 2.692 0 40 DFAB COc1ccc2nc(CN3C[C@@H]4CCCN4C[C@@H]3C)ccc2c1 72324521 DRNXFUKSMYPUDH-YOEHRIQHSA-N 311.429 2.912 0 40 DFAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@@H]1CCc2ccccc21 97049169 KDZUCMDJUGHDJH-USXIJHARSA-N 302.418 2.866 0 40 DFAB CCCn1nccc1NC(=O)NC[C@H]1CCc2ccccc2N1 69698473 QBSHMUPHPKIHNY-CQSZACIVSA-N 313.405 2.842 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cccc(F)c2F)n1 69624533 YOUMBQQXRLPFKR-AWEZNQCLSA-N 306.360 2.838 0 40 DFAB CCCCCCN(C)CC(=O)NCc1cccc(NC(C)=O)c1 69616929 DMKROTPAFBUKCQ-UHFFFAOYSA-N 319.449 2.773 0 40 DFAB O=C(CCCc1cccs1)Nn1cnc2ccccc2c1=O 17848143 MKSLFTAIQJRYOA-UHFFFAOYSA-N 313.382 2.551 0 40 DFAB Cc1noc(CNC(=O)c2ccc(Cl)c3cccnc23)n1 69893340 LTHOAKLGQJNFAH-UHFFFAOYSA-N 302.721 2.510 0 40 DFAB CN(C)CC(C)(C)CNc1ncnc2c1cnn2-c1ccccc1 9512140 AMISPWGFIHOAAT-UHFFFAOYSA-N 324.432 2.815 0 40 DFAB CC(C)c1nc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cs1 84630934 PSRTUJRAQSWOSR-UHFFFAOYSA-N 317.370 2.964 0 40 DFAB COc1cc(CNCc2nncn2-c2ccccc2)cc(OC)c1 97731761 LHXSROUDEXXJAS-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB CCS(=O)(=O)c1cccc(C(=O)OCc2cccs2)c1 95447482 GXVNZHMFNLMWMI-UHFFFAOYSA-N 310.396 2.899 0 40 DFAB COCC1(C)CCN(CCCn2c(=O)oc3ccccc32)CC1 95459569 ROIQQVFDMUSOBM-UHFFFAOYSA-N 318.417 2.733 0 40 DFAB Cc1ccc(C)c([C@H](O)Cn2nc(C(F)(F)F)ccc2=O)c1 95437111 BJYPHDRMAZBTPK-GFCCVEGCSA-N 312.291 2.613 0 40 DFAB CN(Cc1cscn1)[C@@H]1CCN(c2c(F)cccc2F)C1=O 88499429 BKZXIUJRGWEGRR-CYBMUJFWSA-N 323.368 2.659 0 40 DFAB C[C@H](O)CN(C)C(=O)N[C@@H](C)Cc1ccc2ccccc2c1 95983874 ADAFYRQVUOGTSQ-KBPBESRZSA-N 300.402 2.793 0 40 DFAB C[C@H](O)CCN(C)C(=O)NCC1(c2ccccc2Cl)CC1 95978974 OWZSHZZTDHUKTQ-LBPRGKRZSA-N 310.825 2.784 0 40 DFAB CCn1cnnc1C1CCN(c2ncnc3sccc23)CC1 95948897 YHILIYZUFIQGMB-UHFFFAOYSA-N 314.418 2.687 0 40 DFAB O=C(O)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 95969443 DDJGWZVMNUXAHJ-QWRGUYRKSA-N 307.312 2.678 0 40 DFAB CN(C)c1cccc(CNCc2cn(C)nc2-c2ccncc2)c1 75128299 QNXRCZSZGQHOTF-UHFFFAOYSA-N 321.428 2.838 0 40 DFAB COc1ccccc1[C@H](Nc1nc(C)ns1)c1nccn1C 89721424 VQGWEBGFKSGXNS-ZDUSSCGKSA-N 315.402 2.790 0 40 DFAB NC(=O)C1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 89787447 MQMXFAXBNDCTFG-UHFFFAOYSA-N 314.351 2.835 0 40 DFAB CCn1nc(C)c2c(C(=O)NCc3ccc(C)o3)cc(C)nc21 28304163 RKOOEZHKHWWAFR-UHFFFAOYSA-N 312.373 2.899 0 40 DFAB CCOC(=O)C[C@H](NC(=O)Nc1cc(C)on1)c1ccccc1 63975197 FUOUMZFPTKCKSZ-ZDUSSCGKSA-N 317.345 2.799 0 40 DFAB CCCc1nnc(NC(=O)Nc2cccc(CC(=O)O)c2)s1 519118852 KWFWPDJENFRZJM-UHFFFAOYSA-N 320.374 2.762 0 40 DFAB CO[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2-n2ccc(C)n2)C1 189726159 IEAVYSBDTDBPST-ZIAGYGMSSA-N 314.389 2.870 0 40 DFAB COc1c(C(=O)N2CCSC3(CCCCC3)C2)c(C)nn1C 79632689 TUENAZIFIGVLPW-UHFFFAOYSA-N 323.462 2.629 0 40 DFAB COc1ccc2c(c1)CCN2C(=O)c1cnn2c1C[C@H](C)CC2 566256693 FQKKAIRSZVMTSV-GFCCVEGCSA-N 311.385 2.677 0 40 DFAB CCCCCN1CC(=O)N[C@@H]1c1csc(-c2ccccn2)n1 182330636 TZWCZRNGJRWULG-HNNXBMFYSA-N 316.430 2.826 0 40 DFAB COc1ccc(Cc2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)cc1OC 73335323 JHYNVADYZJPQKO-UPJWGTAASA-N 316.357 2.713 0 40 DFAB Cc1noc(-c2ccccc2OCC(=O)NC2CCCCC2)n1 49734291 UFRLRJOQOIUGCM-UHFFFAOYSA-N 315.373 2.873 0 40 DFAB O=C(NCc1cccs1)c1ccnc(O[C@H]2CCSC2)c1 225719579 QCWXSPRJIQPMFL-LBPRGKRZSA-N 320.439 2.957 0 40 DFAB CC(C)c1nnc(N2CCC[C@@H]2C(=O)NCc2ccco2)s1 134900595 MUVJKSMLPAVFBM-GFCCVEGCSA-N 320.418 2.540 0 40 DFAB CCOC(=O)[C@@H](Sc1nc(C)cc(N)n1)c1ccccc1 192974145 HZDUMAJXEDZOOK-ZDUSSCGKSA-N 303.387 2.764 0 40 DFAB O[C@@H](CN[C@@H](c1ccccc1)c1ccncc1)c1ccncc1 195553857 HOPGALFQMUCJKN-OALUTQOASA-N 305.381 2.889 0 40 DFAB C[C@@H]1CCN(CC(=O)NCc2cccnc2)[C@H](c2ccco2)C1 96441792 ZANWWCLHPHNQFP-ZBFHGGJFSA-N 313.401 2.764 0 40 DFAB CCOC(=O)[C@]1(C(C)C)CCN(C(=O)[C@H](C)c2cccnc2)C1 194325939 XUZMKCHBNOUUQB-RDTXWAMCSA-N 318.417 2.623 0 40 DFAB c1csc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)n1 96186690 BKRUFYZIFFYFMA-ILXRZTDVSA-N 308.447 2.692 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(F)ccc1F 96425510 UDRZUXDBWISTLX-SECBINFHSA-N 307.344 2.676 0 40 DFAB O=C(c1scnc1C1CC1)N1CCc2ccccc2[C@@H]1CO 97097615 RSAHSOOSJLGPRS-AWEZNQCLSA-N 314.410 2.752 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccn1 96421611 KEEWIKIKQXTMJF-HNKHHVNMSA-N 317.433 2.891 0 40 DFAB Cc1ccc(-n2ccnc2)c(C(=O)NCCCCn2ccnc2)c1 96436185 VLXURFJWBFRXAL-UHFFFAOYSA-N 323.400 2.587 0 40 DFAB CCc1nnc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)s1 96192694 SFIGINKOPCYJSY-OAHLLOKOSA-N 316.386 2.622 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N1CCc2ccc(Cl)cc2C1 96485591 MDYKKZAXRDXTQZ-UHFFFAOYSA-N 318.808 2.948 0 40 DFAB CC[C@@H](C)OCC(=O)Nc1ccc(Br)cc1O 95433555 SLNZKQDGSVWQHL-MRVPVSSYSA-N 302.168 2.908 0 40 DFAB O=C(OCc1ccc2[nH]nnc2c1)[C@H]1C[C@H]1c1ccccc1F 95948574 IEYHCONIGPEFPG-STQMWFEESA-N 311.316 2.944 0 40 DFAB CNC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 96460560 BNNKFPJWNNEBPY-SNVBAGLBSA-N 318.314 2.916 0 40 DFAB C[C@@H](CNC(=O)CCn1ccccc1=O)Sc1ccccc1 96431707 OCRXXRUOQCYYFR-AWEZNQCLSA-N 316.426 2.535 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCn2nc3c(c2C1)CCC3 245060692 PWLSCISYOQYKEG-UHFFFAOYSA-N 319.767 2.820 0 40 DFAB O=C(c1ccno1)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257224555 FCGZJTDFIFADDS-PMPSAXMXSA-N 311.385 2.773 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1F 42994175 DPRIXBJCVBMDDS-UHFFFAOYSA-N 312.366 2.560 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cc2cccs2)C1 257263392 LPRWOUWBQXFBNU-CYBMUJFWSA-N 303.431 2.803 0 40 DFAB C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@@H]1C[C@H]2O 257345826 JVYOPHXXWSMLAS-MVDCNONBSA-N 306.446 2.930 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(C)n2)cc1F 257333516 YBWSSJNWCYKGOA-OAHLLOKOSA-N 315.348 2.910 0 40 DFAB COc1cccc([C@@H](CNC(=O)NCc2cccs2)OC)c1 96390638 ITKUDXAKQJPHIV-OAHLLOKOSA-N 320.414 2.944 0 40 DFAB CCC[C@H](C)N1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 585099655 UZWPGXDTRIBOCS-XJKSGUPXSA-N 307.463 2.756 0 40 DFAB O=C(c1ccsc1)N1CCCN(C2CCSCC2)CC1 92908981 CVRACPVDVXMTFI-UHFFFAOYSA-N 310.488 2.792 0 40 DFAB CCc1nn(C)c(OC)c1CNc1ncnc2ccc(C)cc12 92962439 IWOUPKNMUPMBQH-UHFFFAOYSA-N 311.389 2.855 0 40 DFAB COc1ccc(Br)c(C(=O)N2CC(C(F)F)C2)c1 585392127 WLCYEULBYLFZHE-UHFFFAOYSA-N 320.133 2.795 0 40 DFAB CN1C/C(=C\c2ccco2)c2nc(N)nc(-c3ccco3)c2C1 5811841 CWKSCGLFYTXHIF-DHZHZOJOSA-N 308.341 2.898 0 40 DFAB CC(C)C[C@H](C)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1 12553109 DDYIMYDRIRUGFW-LBPRGKRZSA-N 312.435 2.565 0 40 DFAB CC(C)[C@H](Cn1ccnn1)NC(=O)C12CC3CC(CC(C3)C1)C2 575607552 IQWUPYSCCAWGFW-KUNBBXKYSA-N 316.449 2.635 0 40 DFAB c1nc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c2ccsc2n1 1889102693 RYLXQYUVUUXJQY-VXGBXAGGSA-N 300.431 2.612 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(NC(N)=O)c2)c1C 29149763 HETMTORLKZTQPR-UHFFFAOYSA-N 314.345 2.577 0 40 DFAB Cc1noc2ncc(C(=O)Nc3ccc(N4CCCC4)nc3)cc12 30984300 GSTNWNMIZPEKMP-UHFFFAOYSA-N 323.356 2.779 0 40 DFAB CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)sc2C)c1 32532555 CNJYXRZQBAFGPC-UHFFFAOYSA-N 324.427 2.525 0 40 DFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1O 24226165 KRZIWHYVRSSMEG-UHFFFAOYSA-N 321.380 2.909 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)nc2)cc1 30513539 KSLKFLGTWCCMGE-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB O=C(NCCc1ccco1)NCc1nc2ccccc2s1 40477816 VZAJDIMAFQMQJK-UHFFFAOYSA-N 301.371 2.931 0 40 DFAB C[C@@H](c1nc(C(C)(C)C)no1)n1nnc(-c2cccc(F)c2)n1 31737124 ZKCRVVLPNPIWSZ-VIFPVBQESA-N 316.340 2.769 0 40 DFAB CCOc1cc2c(cc1NC(=O)c1cc(C)no1)O[C@H](C)C2 32842476 COZSDNOBJSNJBK-SNVBAGLBSA-N 302.330 2.957 0 40 DFAB Cc1cc(NC(=O)COc2ncnc3sc(C)c(C)c23)no1 2644052 KBSUVDFIVRRPLU-UHFFFAOYSA-N 318.358 2.622 0 40 DFAB CCCCN(CC(N)=O)C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 32926364 KRFPVFBFKGBAGQ-JDQXGDOCSA-N 304.390 2.530 0 40 DFAB CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3057240 GGAYBJQWKQQKSA-UHFFFAOYSA-N 308.687 2.824 0 40 DFAB O=C(C[C@H]1C=CCC1)NCc1nnc2ccc(C(F)(F)F)cn12 21975896 KZTLEXDDKBYQON-JTQLQIEISA-N 324.306 2.721 0 40 DFAB Cc1cc(C)n(CCCNC(=O)COc2ccc(C)c(C)c2)n1 22412669 DHUMLSOPTMDKJL-UHFFFAOYSA-N 315.417 2.702 0 40 DFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccco1 809512 MLDSPEGKUMSPLO-UHFFFAOYSA-N 309.705 2.737 0 40 DFAB O=C(NCCC[C@H]1CCCCO1)Nc1cnc(C2CC2)nc1 97138273 MKYADINRIVJWDT-CQSZACIVSA-N 304.394 2.825 0 40 DFAB O=C(Cc1cccs1)NCc1cccc(Cn2ccnc2)c1 24754213 QIDBBOIFZQTPPI-UHFFFAOYSA-N 311.410 2.852 0 40 DFAB COC(=O)COc1cccc(NC(=O)c2sccc2C)c1 24948768 HNMGSOATTFKZKV-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB O=c1[nH]c(CN2CCCc3ccccc3C2)nc2ccsc12 106887276 ALCLIMAUSPQCMB-UHFFFAOYSA-N 311.410 2.933 0 40 DFAB NC(=O)NCc1ccc(C(=O)OCc2ccccc2Cl)cc1 25678070 QZZYTGZSOOHYDO-UHFFFAOYSA-N 318.760 2.865 0 40 DFAB CCN(CC(=O)N1CCC(OC)CC1)Cc1ccc(Cl)cc1 69601972 SNWZEUNHPSMYOK-UHFFFAOYSA-N 324.852 2.799 0 40 DFAB COc1cc(CN[C@@H](C)Cn2cccn2)cc(Cl)c1OC 35272058 PDXXWCGLOSHUTC-NSHDSACASA-N 309.797 2.732 0 40 DFAB Cc1ccccc1[C@@H]1[C@H](C(=O)O)CC(=O)N1CCc1ccccn1 69654108 JQSPNIRIIBLPRH-SJLPKXTDSA-N 324.380 2.607 0 40 DFAB O=C(CC1CCCC1)N1CCCN(Cc2cscn2)CC1 69697833 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CCN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCCCNC1=O 45668686 VUKBSHNQBFXRER-CQSZACIVSA-N 323.824 2.540 0 40 DFAB CC(C)(CNC(=O)c1cnn[nH]1)c1cccc(C(F)(F)F)c1 69738289 GTDCUBCDODFOSK-UHFFFAOYSA-N 312.295 2.531 0 40 DFAB Cc1nc(NC(=O)COC(=O)[C@H]2C[C@H]2C)c(Cl)cc1Cl 3425763 SYADVSLPWYLXJK-SVRRBLITSA-N 317.172 2.835 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 13170233 FRULZCMYOCODQH-SECBINFHSA-N 301.264 2.642 0 40 DFAB COc1ccc(CC(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13389029 VUCQHRKTVAEPST-CYBMUJFWSA-N 319.382 2.631 0 40 DFAB Cc1noc([C@@H](C)NC(=O)CSc2ccc3c(c2)CCC3)n1 64316061 BLAJCDRAVRSKFK-SNVBAGLBSA-N 317.414 2.836 0 40 DFAB Cc1ccc(-c2noc(COc3ccc(C(N)=O)cc3)n2)cc1 8851552 XMUJONZIBYWMGL-UHFFFAOYSA-N 309.325 2.723 0 40 DFAB Cc1cc(OCC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)no1 72303710 DEBRUJUAJNXYRA-OAHLLOKOSA-N 320.364 2.884 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1cccc(F)c1 14128662 LZJUUWXUQMVFGD-BETUJISGSA-N 323.364 2.537 0 40 DFAB Cc1nc2c(s1)[C@@H](NC(=O)NCCc1ccccn1)CCC2 97235768 DFCBKZUQBDVKTG-AWEZNQCLSA-N 316.430 2.766 0 40 DFAB Cn1ccnc1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66845068 CIGHOTBOAOAOHP-CQSZACIVSA-N 309.772 2.786 0 40 DFAB O=C(CN1CCc2ccccc21)NCCc1c[nH]c2ccccc12 7348614 BEFSOEMHMLBBCT-UHFFFAOYSA-N 319.408 2.889 0 40 DFAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(=O)[nH]c1 16044569 MHKIHYWCGABNNW-UHFFFAOYSA-N 300.358 2.933 0 40 DFAB CCOCCCNS(=O)(=O)c1ccc(OC)c(C(C)C)c1 408678945 LAGJRTAGXHMRKR-UHFFFAOYSA-N 315.435 2.524 0 40 DFAB O=C1NCCCC[C@H]1NCc1csc(-c2ccsc2)n1 71825203 XPWFOHSMJAIEMJ-GFCCVEGCSA-N 307.444 2.630 0 40 DFAB O=C(NCCCc1c[nH]c2ccccc12)c1cn2cccnc2n1 71886455 WPFHQRSURKCVLS-UHFFFAOYSA-N 319.368 2.573 0 40 DFAB COc1ccc(NC(=O)c2ccnc(N(C)C)c2)c2cccnc12 83854194 STRBWCYSMMPXES-UHFFFAOYSA-N 322.368 2.957 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cn1 84191214 UNGQISXKEDTKDY-AWEZNQCLSA-N 312.373 2.557 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)c3cnn(CC)c3)C2)n1 72284888 OVUGYDAQTXKXKF-LBPRGKRZSA-N 318.446 2.942 0 40 DFAB COC(=O)CC(C)(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 72294678 ULZKJZFHZFLUMJ-UHFFFAOYSA-N 321.421 2.587 0 40 DFAB CCOc1ccccc1CNC(=O)NCc1scnc1C 72271792 HQZOYTKTTGRBCE-UHFFFAOYSA-N 305.403 2.850 0 40 DFAB COc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2F)cc1O 95963713 YNHBHHZUFIFFNQ-JSGCOSHPSA-N 301.317 2.826 0 40 DFAB Cc1[nH]nc(NS(=O)(=O)CCc2ccccc2)c1CC(C)C 95944037 WXBRWDLAWVPZFG-UHFFFAOYSA-N 321.446 2.901 0 40 DFAB C[C@@H](CS(C)(=O)=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 95985000 ADDSWGBCJXKVRE-ZJUUUORDSA-N 324.273 2.947 0 40 DFAB COCCCCS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1 95945089 KOHLQTXJSZBRCP-NSHDSACASA-N 305.827 2.747 0 40 DFAB CN(C)CCN1CCC(N[C@@H]2CCCc3sccc32)CC1 89314321 ONIDLISIKWGMSR-MRXNPFEDSA-N 307.507 2.741 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O 89529344 YNYLOLAZTMKTDV-ZDUSSCGKSA-N 316.332 2.548 0 40 DFAB O=C(c1ccc(F)cc1F)N(CCO)CCc1ccccc1 75137755 PTSZPELZTVJRHS-UHFFFAOYSA-N 305.324 2.642 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 32755082 SIRAJHKOWLICCG-JLHYYAGUSA-N 300.402 2.898 0 40 DFAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCOCC2)cc1 38832918 XJJZNIMWUKCNBC-UHFFFAOYSA-N 324.424 2.791 0 40 DFAB Cc1c(CCC(=O)N2CC[C@@H](C)c3cccc(O)c32)cnn1C 186321950 GELWVRMLWJSMLB-GFCCVEGCSA-N 313.401 2.907 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]2CN(C)C)n1 78505395 COALIHYECXFMEG-LBPRGKRZSA-N 324.856 2.810 0 40 DFAB Nc1cc(N)nc(SCc2nc3ccccc3n2C(F)F)n1 31820547 SXVKTLNNBRXFAM-UHFFFAOYSA-N 322.344 2.678 0 40 DFAB CNc1snc(C)c1C(=O)N(C)CCOc1ccccc1F 30570703 SJOXYLNUSVROEB-UHFFFAOYSA-N 323.393 2.783 0 40 DFAB C[C@@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1 75156225 UOXSCFDSJLSHCF-CQSZACIVSA-N 313.275 2.936 0 40 DFAB O=c1n(Cc2ccccc2F)nc2ccc(-c3ccccc3)nn12 49399354 LTAFWEVFWRHZDW-UHFFFAOYSA-N 320.327 2.745 0 40 DFAB CC(C)N(C[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)c1nccn2ccnc12 81378241 VNULNQAIGJFCEF-QLFBSQMISA-N 310.401 2.792 0 40 DFAB Cc1nccc(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)n1 86369612 IZBOHJHLCXYZDW-LLVKDONJSA-N 300.362 2.813 0 40 DFAB COc1ccccc1[C@H](C)N(C)C(=O)c1cccc2nn[nH]c12 225476742 AEBROBLLLUWRBN-NSHDSACASA-N 310.357 2.800 0 40 DFAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COCC(C)C)c1 224455740 YDUZZTVFHUSDHW-CYBMUJFWSA-N 309.406 2.633 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)c2c(F)ccc(F)c2F)c1 130232820 VWNOVTAVFUCRIQ-UHFFFAOYSA-N 322.286 2.992 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H](C)c1nccs1 195559750 VJMAKZCPQCUUTF-FRRDWIJNSA-N 311.451 2.846 0 40 DFAB COc1cc(C)c(C(=O)NC2CCN(C)CC2)cc1C(C)C 225669530 LSLVNTXGEKIFTD-UHFFFAOYSA-N 304.434 2.951 0 40 DFAB CSCC[C@H]1NC(=S)N([C@H](C)c2ccc(C)s2)C1=O 49021523 NKCSTIUCZIKRPL-NXEZZACHSA-N 314.501 2.956 0 40 DFAB O=C(CO[C@@H]1CCOC1)N(CC(F)F)c1cccc(Cl)c1 84807013 PQIDJEWXTPBGCW-GFCCVEGCSA-N 319.735 2.744 0 40 DFAB O=C(CCc1ccc(F)cc1F)N[C@@H](CO)c1ccccc1 97233006 KFJAGKRLMWWGOC-INIZCTEOSA-N 305.324 2.747 0 40 DFAB COc1cccc(CN(C)C(=O)c2cccc(-n3ccnc3)n2)c1 96501421 BQGYFEPDERENPY-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB Cn1nc(-c2cccnc2)c2c1CN(C(=O)c1ccco1)CCC2 96083757 BNUSMTWIHAIMOC-UHFFFAOYSA-N 322.368 2.664 0 40 DFAB COCC[C@H](C)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455053 ZYUHKYQJEFSKBX-HNNXBMFYSA-N 319.449 2.722 0 40 DFAB Fc1cnc(N2C[C@H](OCC3CCCC3)[C@H]3OCCC[C@H]32)nc1 96187073 DQFSJCZRFCVQPV-PMPSAXMXSA-N 321.396 2.559 0 40 DFAB CCCn1c(C)nnc1CSc1nnc(-c2cccnc2)o1 95448518 ZOUHDGWCIBLDJQ-UHFFFAOYSA-N 316.390 2.734 0 40 DFAB CO[C@@](C)(CNC(=O)c1cc(C)on1)c1cccc(Cl)c1 96392320 MNSIDHKNMCVQNC-HNNXBMFYSA-N 308.765 2.928 0 40 DFAB COc1cc2c(cc1/C=C/c1cc(C(=O)O)ncn1)O[C@@H](C)C2 534879328 DTJPOQYSXWSEFJ-FSIBCCDJSA-N 312.325 2.677 0 40 DFAB CCO[C@@H]1COC2(CCN(Cc3cccc(OC)c3)CC2)C1 96106573 FQWJMWFYKDOTOK-KRWDZBQOSA-N 305.418 2.855 0 40 DFAB CC(C)N1Cc2ccnn2[C@H](CCNC(=O)c2ccsc2)C1 248021712 UYBIHISHRLZIGW-CQSZACIVSA-N 318.446 2.530 0 40 DFAB COc1c(C(=O)NCc2c(C)nn(C)c2C)oc2ccccc12 252489038 JDWUYJDPSLHQGP-UHFFFAOYSA-N 313.357 2.722 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)cc1C 256046438 FWTCGEMJFMUJFP-UHFFFAOYSA-N 300.362 2.573 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 252581598 CBKCEJDSHOYQQO-QLFBSQMISA-N 319.453 2.630 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)c(O)n1 257336106 YNFFNUPZYHSIRI-GFCCVEGCSA-N 317.414 2.880 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2scnc2C)C1 257236568 HCTJGIBSKRBYJO-LBPRGKRZSA-N 304.419 2.578 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2cncc(-c3cn[nH]c3)n2)C1 257312530 UOJNNYBAJLIHIM-LBPRGKRZSA-N 313.405 2.619 0 40 DFAB C[C@H](CNS(=O)(=O)CCC(F)(F)F)c1ccc(F)cc1 283817466 JPHMZRHRAKFAKL-SECBINFHSA-N 313.316 2.801 0 40 DFAB O=C(Nc1ccccc1NCC(F)(F)F)c1ccc[n+]([O-])c1 66050573 JBJIBGAFLDPDPO-UHFFFAOYSA-N 311.263 2.547 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccccc2-n2ccnn2)c1 97085327 YJHHXYWVJDBBNC-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB O=C(O)CC1(CC(=O)Nc2cccc(C(=O)O)c2)CCCC1 151538 CJORVHVNDFGCPS-UHFFFAOYSA-N 305.330 2.749 0 40 DFAB CCOC(=O)C1CCN(C(=O)Nc2cccc(OC)c2)CC1 154874 MDTXZVCUTWMMHF-UHFFFAOYSA-N 306.362 2.502 0 40 DFAB Cc1cc(NC(=O)[C@]2(C)Cc3ccc(Cl)cc3C(=O)O2)no1 11690050 DIGYEHNHBZJVST-HNNXBMFYSA-N 320.732 2.747 0 40 DFAB Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C)CC2)cs1 19747019 RURMISUXBNJCKJ-INIZCTEOSA-N 321.490 2.717 0 40 DFAB COc1ccc(-c2nc3[nH]nc(N)c3cc2Br)cc1 169223863 UAUQEPWZKMRYST-UHFFFAOYSA-N 319.162 2.978 0 40 DFAB CCCCN(C(=O)c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 4504393 AZZSLWPBQSNECX-MRXNPFEDSA-N 323.458 2.733 0 40 DFAB O=C(CSc1nc2ccccc2o1)NC(=O)c1ccccc1 138105 YCMLWLXYSFBGFG-UHFFFAOYSA-N 312.350 2.877 0 40 DFAB O=c1c(=O)n(-c2ccc(Cl)cc2)ccn1CC1CCCC1 1888879152 XQEQIEDKBUMVEO-UHFFFAOYSA-N 304.777 2.843 0 40 DFAB CCc1ccc(NC(=O)C[C@H](NCCC(C)C)C(=O)O)cc1 4279962 WLAVDKHRAXHDSO-HNNXBMFYSA-N 306.406 2.667 0 40 DFAB Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CC[C@H](CF)C1 1848762220 PITJHXANAVUAAK-SNVBAGLBSA-N 323.318 2.797 0 40 DFAB Cc1cc(N2CCC[C@H](c3nnc4ccccn34)C2)nc(C)n1 40490473 QRYXWWRTJKJPIJ-AWEZNQCLSA-N 308.389 2.520 0 40 DFAB Cc1nc2ccccc2nc1Cn1cnc2ccccc2c1=O 40464719 GZLWEKWKCFDGRR-UHFFFAOYSA-N 302.337 2.696 0 40 DFAB O=C(c1ccccc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 196566 KAARXCCVXPKKKQ-RISCZKNCSA-N 312.291 2.940 0 40 DFAB CC(=O)NC1CCN(C(=O)Nc2cccc3ccccc23)CC1 51192281 OUXISGWIKXNUID-UHFFFAOYSA-N 311.385 2.972 0 40 DFAB CC[C@H]1CCCCN1C(=O)CN1C(=O)CCOc2ccccc21 20892271 MYYWSQNODIEPEG-AWEZNQCLSA-N 316.401 2.593 0 40 DFAB CC(C)n1ncc2cc(NC(=O)c3ccc(C(=O)O)cc3)cnc21 32882455 NCHYPADRCJHULJ-UHFFFAOYSA-N 324.340 2.963 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCOCC2)nc1 32876625 GZFNXKJTQHZLLZ-CQSZACIVSA-N 323.396 2.510 0 40 DFAB CCOCCCNC[C@@H](O)COc1c(Cl)cccc1Cl 2624408 SJNRQTQTASREJG-LLVKDONJSA-N 322.232 2.749 0 40 DFAB COC(=O)c1ccccc1N1C(=O)[C@H]2CC(C)=C(C)C[C@H]2C1=O 576049 NMWLARHYKFPCLE-OKILXGFUSA-N 313.353 2.709 0 40 DFAB O=C(NCCCOC[C@H]1CCOC1)N1CCC2(CCCCC2)C1 76088207 JJPHTKMKNJEAHC-MRXNPFEDSA-N 324.465 2.795 0 40 DFAB CCOC(=O)c1cc2occc2n1CC(=O)N1CCC[C@H](C)C1 1337824 IUAPGFGACSGTNE-LBPRGKRZSA-N 318.373 2.670 0 40 DFAB O=C(NCc1ccoc1)Nc1cccc(N2CCOC2=O)c1 61139291 AWICMZRNRKQTPR-UHFFFAOYSA-N 301.302 2.558 0 40 DFAB CCNc1nc(Cl)nc(NCC(Cl)(Cl)Cl)n1 4903031 OAJCBOYTDBROSM-UHFFFAOYSA-N 304.996 2.739 0 40 DFAB COc1ccc(CSCC(=O)NCCCOC(C)C)cc1 6344994 RWIIYVSIOKGJLD-UHFFFAOYSA-N 311.447 2.860 0 40 DFAB O=C(c1ccccc1)[C@@H](O)NC(=S)c1ccc(Cl)cc1 6514724 DRLBXXXRCDQJSC-CQSZACIVSA-N 305.786 2.806 0 40 DFAB CSc1cccc2sc(N3CCN(C(C)=O)CC3)nc12 7599348 MBORXAPGJAMFMP-UHFFFAOYSA-N 307.444 2.687 0 40 DFAB COc1cccc(/C=C2\NC(=S)N(Cc3ccco3)C2=O)c1 7915012 VELQWFRTVVHLQP-ZROIWOOFSA-N 314.366 2.546 0 40 DFAB COC[C@@H]1CCC[C@]12CN(C(=O)c1cc(C)oc1C)CCO2 107195209 TUNCFSPMSLJTDX-YOEHRIQHSA-N 307.390 2.554 0 40 DFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C1CC1 522944 PAQZLQAMHRBJPM-UHFFFAOYSA-N 302.330 2.702 0 40 DFAB CCCCOC(=O)CCN1CCN(c2ccccc2C)CC1 53944102 GYSHKKWMPIJCMZ-UHFFFAOYSA-N 304.434 2.850 0 40 DFAB O=c1[nH]c(N2CCc3ccccc32)nc2ncc3c(c12)CCCC3 22606828 ZLBMYKJZEIIBGB-UHFFFAOYSA-N 318.380 2.891 0 40 DFAB O=C(O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O 3258145 GJKZXPRRHXVZBO-UHFFFAOYSA-N 322.364 2.656 0 40 DFAB Cc1cccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)c1 55508627 UBBLAJNEECQKTG-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB COCc1ccccc1CNC(=O)NCc1ccc(OC)cc1 24740962 YZKGVVVYSGOOAS-UHFFFAOYSA-N 314.385 2.841 0 40 DFAB COc1ncc(C)cc1NCc1cn(C)nc1-c1ccncc1 97115627 IJFBQCVQTWAKIY-UHFFFAOYSA-N 309.373 2.806 0 40 DFAB CCn1nc(C)c(CN(C)C(=O)COc2ccccc2)c1C 28573424 YIGGRJYUCIWOFO-UHFFFAOYSA-N 301.390 2.557 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1csc(C)c1 100216174 XORPINNMBOVNPX-ZIAGYGMSSA-N 315.442 2.992 0 40 DFAB CCc1ccc(CCC(=O)NCc2cccc(C(N)=O)c2)cc1 25333365 XRMWRRRYPPNNGI-UHFFFAOYSA-N 310.397 2.597 0 40 DFAB CCOc1ccc(C(=O)N[C@H](C)c2cnn(C)c2)cc1OCC 27919376 BDJQOFMJLHNFFR-GFCCVEGCSA-N 317.389 2.709 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)Cc2cnc3ccccc3c2)cc1 97165169 HWRLRMDRTIPFMU-IBGZPJMESA-N 320.392 2.936 0 40 DFAB O=C(c1cc(Br)c[nH]1)N1CCc2ccccc2C1 35180161 FJRPKLCWQJJZLJ-UHFFFAOYSA-N 305.175 2.976 0 40 DFAB CN(Cc1ccc2ccccc2c1)C(=O)CN(C)c1cnccn1 48099928 PKUGVHBKHDVFKO-UHFFFAOYSA-N 320.396 2.725 0 40 DFAB C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCO1 97111684 TXJBTVNBEUQMPO-ZANVPECISA-N 300.761 2.575 0 40 DFAB COc1cc(CNC[C@H]2CCO[C@@H]2C(C)C)cc2c1OCCO2 97165764 FKVUGPTWOZBBDZ-RHSMWYFYSA-N 321.417 2.617 0 40 DFAB COc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1 97159699 FUGGXZCIACMNAM-UHFFFAOYSA-N 308.385 2.781 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2(c3ccccc3)CC2)n1 57709021 IWYIRKLGAVDENB-CQSZACIVSA-N 311.429 2.984 0 40 DFAB Cc1cc(NCCn2cnnc2C(C)C)nc(-c2ccncc2)n1 72307661 ZYSPUFYJGXQBAK-UHFFFAOYSA-N 323.404 2.674 0 40 DFAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1C[C@@H]2CC[C@@H]1C2 103811016 FTAMIEVMFHJCFE-TZMCWYRMSA-N 314.385 2.641 0 40 DFAB COCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 28202704 WQBATRCZGLLBEA-UHFFFAOYSA-N 308.378 2.800 0 40 DFAB COc1ccc(CCNC(=S)Nc2cc(C)ccn2)cc1 22270301 FDKGEIBDAKGFQH-UHFFFAOYSA-N 301.415 2.928 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)s2)N1 11035662 YUAIHXHSWZKRGY-LLVKDONJSA-N 303.778 2.848 0 40 DFAB CC(C)c1nc(CC(=O)NCCN2CCCCCC2)cs1 48313548 RMWIDPAMENWGFF-UHFFFAOYSA-N 309.479 2.801 0 40 DFAB C[C@H](CNS(=O)(=O)c1cccc(F)c1)N(C)c1ccccc1 45745476 VMXWEXJCUOAIKE-CYBMUJFWSA-N 322.405 2.629 0 40 DFAB CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)cc1 69849348 USURHXNDSIEERL-RISCZKNCSA-N 306.431 2.643 0 40 DFAB O=C(Cc1cccc(OC(F)F)c1)N1CCCN2CCC[C@H]2C1 69843441 YAUSXZIWZHJGKO-AWEZNQCLSA-N 324.371 2.527 0 40 DFAB N=C1SCC(=O)N1c1ncc(Cc2ccc(F)cc2)s1 4112583 PNTJYZVURJSNRA-UHFFFAOYSA-N 307.375 2.888 0 40 DFAB c1ccc(-n2ncc3c(NCCN4CCCCC4)ncnc32)cc1 4301413 WLGKZPFPRRUIIP-UHFFFAOYSA-N 322.416 2.713 0 40 DFAB CC(C)NC(=O)CC1(C(=O)NCc2ccccc2)CCCC1 14017817 UQKRFUNMTIBPLM-UHFFFAOYSA-N 302.418 2.778 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2cccnc2)[C@@H]1C 4546955 NDLRVHXPONQDRJ-UMVBOHGHSA-N 303.406 2.741 0 40 DFAB Cc1ccc(S(=O)(=O)n2c(=O)sc3ccccc32)cc1 4539478 VXEPQANTIWUZDC-UHFFFAOYSA-N 305.380 2.608 0 40 DFAB CCCCNCC(=O)Nc1sc2c(c1C(=O)O)CCCC2 5712747 FSNQRQDYGNNDFH-UHFFFAOYSA-N 310.419 2.653 0 40 DFAB CC(C)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1 4825573 WBWUVLBHFGXBNF-UHFFFAOYSA-N 324.336 2.957 0 40 DFAB COC(=O)[C@@](C)(NC(=O)c1cc(C)n(C(C)C)c1C)C1CC1 96412770 DRBRUASZIUGWBY-KRWDZBQOSA-N 306.406 2.757 0 40 DFAB Cc1nc2ccccc2nc1Cn1nc(C(C)(C)C)ccc1=O 171167142 XAZBBPHAYABMRJ-UHFFFAOYSA-N 308.385 2.841 0 40 DFAB CC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)nc2C)c1 7616316 YXAYOXLHNGNBID-JTQLQIEISA-N 300.362 2.687 0 40 DFAB CN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2csnn2)cc1 69037621 UVPJMNIDGLSZGG-CYBMUJFWSA-N 318.402 2.848 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CC[C@H]2CCCO2)n1 70039911 ZPHJIFFXEUYNPU-IAGOWNOFSA-N 319.449 2.840 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 69510081 NTBUIKYQVCAWPU-SJORKVTESA-N 322.399 2.983 0 40 DFAB CC[C@H](CO)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17269076 SQGCNWJYWREDCE-LLVKDONJSA-N 317.780 2.652 0 40 DFAB O=c1[nH]c(N[C@H]2CCN(c3ccccc3)C2)nc2ccccc12 71882467 GTFRONNKUJYAEL-ZDUSSCGKSA-N 306.369 2.614 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2nc3ccccc3[nH]c2=O)no1 97201377 GPTGCZDNZWXPPD-MRXNPFEDSA-N 310.357 2.557 0 40 DFAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2csc(C3CC3)n2)cn1 84317606 KOWFLXVNEKTSJS-IUODEOHRSA-N 318.446 2.621 0 40 DFAB Cc1n[nH]cc1CNc1cccc(CN2CCC(CO)CC2)c1 84028306 IKEWSBUIDGXNQC-UHFFFAOYSA-N 314.433 2.535 0 40 DFAB c1ccc2sc(NC[C@H]3COC4(CCOCC4)O3)nc2c1 97037261 NFQNBPZHNBTUKK-NSHDSACASA-N 306.387 2.630 0 40 DFAB c1ccc(-n2cc(Cn3nccc3N[C@H]3CCCOC3)cn2)cc1 97046025 RXHRVDWYSPQEIX-INIZCTEOSA-N 323.400 2.708 0 40 DFAB O=C(Cc1ccccc1F)N[C@@H](C(=O)O)c1ccc(F)c(F)c1 97036664 IWXIYQMIYPTGFW-OAHLLOKOSA-N 323.270 2.589 0 40 DFAB CCN(CC(=O)N(C)C)Cc1coc(-c2ccc(C)cc2C)n1 95356516 GOAXJBWMVKTFOT-UHFFFAOYSA-N 315.417 2.869 0 40 DFAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(n2ccnn2)CC1 95979306 BGCIGBRMSFJGIZ-KGLIPLIRSA-N 316.430 2.615 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1cc(-c2ccccc2)on1 85609160 ZUDAFANEFHLGIO-CYBMUJFWSA-N 301.346 2.984 0 40 DFAB COCCN(C)c1ccc(NCc2cccc3cn[nH]c23)nc1 89346295 WSIHJGJLTMYQHF-UHFFFAOYSA-N 311.389 2.653 0 40 DFAB CN(C)C(=O)Cc1ccccc1NC(=O)NC[C@@H]1CC=CCC1 69184260 VYKJOLDUFKSFQO-CQSZACIVSA-N 315.417 2.795 0 40 DFAB COc1ccc(CCNC(=O)N2CCC3(CCC3)C2)c(OC)c1 519613183 HFEPLSUUCBFYLE-UHFFFAOYSA-N 318.417 2.832 0 40 DFAB COc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1 5002523 FNQGFZSAVIVQAS-UHFFFAOYSA-N 315.417 2.586 0 40 DFAB biogenic Cc1ccc(F)c(C(=O)NCC[S@](=O)c2ccccc2)c1 78914705 YQNPAUQDWLGOQC-OAQYLSRUSA-N 305.374 2.672 0 40 DFAB CN1C(=O)C[C@H](C(=O)N2CCCCCC2)[C@@H]1c1ccc(F)cc1 72242256 QDXBQWAPWGVKMJ-RDJZCZTQSA-N 318.392 2.748 0 40 DFAB C[C@@](O)(CNC(=O)c1ccccc1Br)c1ccco1 75156239 VFDZQYKTBUEACC-CQSZACIVSA-N 324.174 2.680 0 40 DFAB Cc1cc(C(=O)NC2CCCCC2)nc([C@@H]2CCCN(C)C2)n1 72365886 OYXCBIIJYHBSQW-CQSZACIVSA-N 316.449 2.657 0 40 DFAB Cn1nccc1[C@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 560026863 VGSWDIZGQAUJPP-STEAMIEHSA-N 311.429 2.694 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c1 36635615 PXDSQAJQHVNTPN-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB O=C(O)CCNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36360747 AVHCCVLTEIQCHX-UHFFFAOYSA-N 324.789 2.597 0 40 DFAB COc1cc(NC(=O)Cc2sc(C)nc2C)cc(OC)c1 36358783 PGPXORAUXCOYMM-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCN1 75609016 VZJAERWGPLJYQI-JTQLQIEISA-N 309.341 2.779 0 40 DFAB CCOC(=O)[C@@H]1CC[C@H](Cc2cccc(Br)c2)N1 1537961487 CMLXGRXMPQKXSY-OLZOCXBDSA-N 312.207 2.675 0 40 DFAB CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](C)CC2)s1 570217269 XWSPGOKKIOTTFE-XYPYZODXSA-N 315.460 2.594 0 40 DFAB Cc1[nH]c(C[C@@H]2C(=O)N=C3C=CC(F)=C[C@H]32)c(C)c1C(=O)O 85210618 JMMAUENBPNLMQB-QWRGUYRKSA-N 302.305 2.509 0 40 DFAB CCOc1ccc([C@@H](COC)NC(=O)N[C@@H]2CCSC2)cc1 225459266 NOQVBXFWAVGNGZ-UKRRQHHQSA-N 324.446 2.578 0 40 DFAB C[C@H](NC[C@@H](C)N1CCOC[C@@H]1C)c1nc2c(s1)CCCC2 195548807 RNMBBPDRBKNKPS-RDBSUJKOSA-N 323.506 2.782 0 40 DFAB CC(=O)NCCCN(C)C(=O)/C=C(\C)c1cccc(Cl)c1 98018802 CNXJXMZUBQKPMG-ZRDIBKRKSA-N 308.809 2.728 0 40 DFAB COc1ccc(-c2nnc3sc(-c4cc(C)no4)nn23)cc1 95478784 WAPYYAROTSJQCC-UHFFFAOYSA-N 313.342 2.825 0 40 DFAB CCC(CC)c1cc(CNC(=O)[C@@H]2CCc3cncn3C2)on1 576776424 LDDKHDNLNKQBRM-CYBMUJFWSA-N 316.405 2.654 0 40 DFAB O=C(Cc1n[nH]c2ccccc12)Nc1cc(C(=O)O)ccc1F 97036184 LDDBTSKNYQHNCQ-UHFFFAOYSA-N 313.288 2.581 0 40 DFAB Cc1cc(Cl)c(I)c(=O)n1C1CC1 96510318 PJZHVWGDDROPCH-UHFFFAOYSA-N 309.534 2.750 0 40 DFAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc2c1OCO2 95618980 XCIAVZXGJWVECJ-LLVKDONJSA-N 321.336 2.812 0 40 DFAB CC1(C(=O)NCCNc2ccc3ccccc3n2)CCOCC1 96436763 OATWITOHZDNZIY-UHFFFAOYSA-N 313.401 2.580 0 40 DFAB CC(C)COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2nccs2)O1 96064593 JWWHJKHFUCMAHV-KKUMJFAQSA-N 310.463 2.938 0 40 DFAB O=C(N[C@H]1C=CCCC1)C1(C(=O)N[C@H]2C=CCCC2)CCC1 96475141 NPJJKMVACAZDFS-GJZGRUSLSA-N 302.418 2.607 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC(Oc2cnccn2)CC1 90678074 LRQDOZPIYWLVMT-UHFFFAOYSA-N 323.805 2.875 0 40 DFAB O=C(Nc1ncccc1Cl)c1cnn(-c2ccc(F)cc2)n1 97232436 YHVYDLKCZLGLFV-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB C[S@](=O)c1ccc(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 245305020 HOGVBQWITUTHMU-OUWJGKLISA-N 322.426 2.784 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnccn2)c2c(C)noc2n1 257255196 KGNCTQBJJPMDTM-CQSZACIVSA-N 323.356 2.607 0 40 DFAB CC(=O)N1CCC[C@@H](c2ccc(-c3cnc4ncccn34)cn2)C1 257272712 NDMPWANQDIGBNR-OAHLLOKOSA-N 321.384 2.517 0 40 DFAB CC[C@@H]1Oc2cc([C@@H](C)NC[C@H]3CCCOC3)ccc2NC1=O 253369810 IJJIKMJPTXRLRZ-IOASZLSFSA-N 318.417 2.873 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)s1 257232802 GMMCQPKOAJPSHG-CYBMUJFWSA-N 318.446 2.524 0 40 DFAB Cc1cc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)on1 257233330 GOUUCNVXHFKWLR-FOLVSLTJSA-N 312.369 2.913 0 40 DFAB C[C@@]1(O)CCN(Cc2cncs2)C[C@H]1Oc1ccccc1 257280072 OJIBSIYNOVDAEP-HZPDHXFCSA-N 304.415 2.547 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c1 585102222 QUFVPSRTSMUJSE-UHFFFAOYSA-N 314.429 2.778 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 47911673 IQLUDVKGEGPVER-AWEZNQCLSA-N 320.408 2.522 0 40 DFAB O=C(N[C@@H](c1ccccc1)C1CCC1)N(CCO)CC1CC1 89826019 LQMVDNYRYDJKOB-KRWDZBQOSA-N 302.418 2.942 0 40 DFAB Cc1ccc(NC(=O)c2noc3c2CCCC3)cc1C(=O)O 95970810 SHUHIMSERZQIQG-UHFFFAOYSA-N 300.314 2.812 0 40 DFAB CCCOc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12 5547105 YCPJHXQIZIAQOK-UHFFFAOYSA-N 304.342 2.914 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1 5278151 ZDFSNEBGPXPPKY-UHFFFAOYSA-N 307.346 2.872 0 40 DFAB COc1cccc(-c2cc(CC(=O)Nc3cccnc3)no2)c1 12634079 FYLZYHRGGMGCPG-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB CCCCS(=O)(=O)Nc1ccn(Cc2ccccc2F)n1 14230087 TXKLOYNVMWGRDI-UHFFFAOYSA-N 311.382 2.612 0 40 DFAB CCOc1cccc(C(=O)NC(=S)NNc2ccccc2)c1 14257582 WQRJXNBGUJTOEI-UHFFFAOYSA-N 315.398 2.717 0 40 DFAB COc1cccc(C(=O)NCCc2ccc(F)cc2)c1OC 15789619 LEPZWYOWDGTKFR-UHFFFAOYSA-N 303.333 2.815 0 40 DFAB O=C(c1ccccc1F)c1nccn1-c1ccc(Cl)nn1 16778534 SRJGGZIRMYGJBF-UHFFFAOYSA-N 302.696 2.686 0 40 DFAB CCCC(=O)N1CCC(c2nnc(-c3ccc(C)nc3)o2)CC1 19501176 PRTKGMKXJLUNJG-UHFFFAOYSA-N 314.389 2.946 0 40 DFAB Cc1cccc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)c1 19234437 RFQAKFQXZOHHFW-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB Cc1cnccc1O[C@H]1CCN(Cc2nc(C(C)C)no2)C1 1889092464 LWURIQHUNJHSBG-ZDUSSCGKSA-N 302.378 2.550 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 23994922 ZGIFAWDLIFBMCN-NXEZZACHSA-N 300.761 2.527 0 40 DFAB Cc1cnc([C@@H]2CCN(C(=O)c3cn(C)c4ccccc34)C2)[nH]1 2037677825 ZUROVXCRGZLSMI-CYBMUJFWSA-N 308.385 2.840 0 40 DFAB COc1ccc(CN2CCC(NC(=O)C(C)(C)C)CC2)cc1 1004021020 OZTJMCQOBGRMES-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN2CCSC2=O)o1 40476628 WXWCNKDGJQJTGA-JQWIXIFHSA-N 308.403 2.530 0 40 DFAB C[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 101390557 WSZWXNSJLSZQFG-QDWQASTRSA-N 313.220 2.713 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCCOCCc1ccccc1 101631975 NRZVJHXUUGQOJC-IRXDYDNUSA-N 313.397 2.587 0 40 DFAB NC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 106526 APOWQNASKKMCHY-UHFFFAOYSA-N 303.368 2.709 0 40 DFAB CCCNC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 2655431 BDVRDGYIXGEWBS-UHFFFAOYSA-N 318.446 2.892 0 40 DFAB CC(C)(C)c1ncsc1C(=O)NCCNc1ccccn1 76094264 MVZUGCRLKANLTC-UHFFFAOYSA-N 304.419 2.678 0 40 DFAB CCCC(=O)NCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 32928463 QWUCCGFNYKXDQD-AWEZNQCLSA-N 304.434 2.979 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)Nc1ccc(NC(N)=O)cc1 78808614 DYWPRFWWMYDFDW-AWEZNQCLSA-N 305.378 2.854 0 40 DFAB Fc1cc(Cl)cnc1NCCc1nc(-c2ccco2)n[nH]1 79300422 JWZLSQCCENEVBP-UHFFFAOYSA-N 307.716 2.907 0 40 DFAB COCCn1cc(CC(=O)NCc2ccccn2)c2ccccc21 79478077 PSHHZXVLOCJSFX-UHFFFAOYSA-N 323.396 2.542 0 40 DFAB COc1ccccc1NS(=O)(=O)c1cc(N)ccc1Cl 3885382 OGGZSFADAOUQSI-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB COc1ccccc1[C@@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678512 UXHBMMLFRYMHCE-ZANVPECISA-N 303.387 2.890 0 40 DFAB CCC[C@H](C)NC(=O)COC(=O)CCc1c[nH]c2ccccc12 6891177 KHDOQKCCGLHSCG-ZDUSSCGKSA-N 316.401 2.949 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2C)C1 8778749 QMCJNXSIHREZCG-LBPRGKRZSA-N 303.431 2.924 0 40 DFAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)C(C)C)cc1 8036207 IUMWDLOTRMBPCF-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB O=C(Nc1nnc2n1CCS2)c1ccccc1C(F)(F)F 8600554 QZMISXTVYJRUNV-UHFFFAOYSA-N 314.292 2.655 0 40 DFAB CC(=O)Nc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1Cl 12364427 GVHBENPOFSTJLI-VXGBXAGGSA-N 320.776 2.978 0 40 DFAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1 57536080 ONHCETNAZHKCPD-HNNXBMFYSA-N 324.380 2.721 0 40 DFAB C[C@@H](NCc1nc(-c2ccco2)no1)[C@H]1COc2ccccc21 97112652 QDODUDGYTATAPB-DGCLKSJQSA-N 311.341 2.984 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc2cccnc12 101100569 KDDJXDDCBGIAAL-NEBZKDRISA-N 308.337 2.696 0 40 DFAB Cc1csc(CNC(=O)N[C@@H]2CCOc3ccccc32)n1 47866319 XASGNJZICJEBKB-GFCCVEGCSA-N 303.387 2.775 0 40 DFAB C[C@@]1(C(=O)NC(=S)Nc2nccs2)CC1(Cl)Cl 3281201 GGHMEHBEXGXIDF-QMMMGPOBSA-N 310.231 2.540 0 40 DFAB CCOC(=O)NCCC(=O)Nc1ccc(C)c2ncccc12 56402687 XBHNKORTFOZSBS-UHFFFAOYSA-N 301.346 2.618 0 40 DFAB CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)c2ccncc2)cn1 108086987 MTMPPIYMYZWFLH-UKPHBRMFSA-N 300.406 2.726 0 40 DFAB COC(=O)[C@@H]1CCC[C@H]1C(=O)N1CCc2cc(F)ccc2[C@@H]1C 108493257 WMPWHDPVTHEGRD-IUIKQTSFSA-N 319.376 2.861 0 40 DFAB Cc1ccc([C@H](C)NC(=O)CNC(=O)OCc2ccccc2)o1 58289930 LGUOOTBWQWCUFO-ZDUSSCGKSA-N 316.357 2.692 0 40 DFAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cn1 27935991 LHSCWUZWNQSHIT-UHFFFAOYSA-N 318.686 2.897 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(c2nnc3ccccn23)CC1 28737206 VMBXCQZBWNJJOV-NUEKZKHPSA-N 324.428 2.872 0 40 DFAB CCCc1noc([C@@H](C)S(=O)(=O)Cc2cccc(OC)c2)n1 44938797 SMFNANZFXGLIMI-LLVKDONJSA-N 324.402 2.707 0 40 DFAB CCCCc1noc([C@H](C)N2CCC(NC(=O)C(C)C)CC2)n1 44948937 XDAKCOHWJXVPKD-ZDUSSCGKSA-N 322.453 2.710 0 40 DFAB O=S(=O)(Nc1c(F)cc(Cl)cc1F)c1cccnc1 97164258 LRVPBJVATNKCGK-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)NO[C@H]2CCCCO2)cc1 58356276 HULYGDXMFVKNSX-KRWDZBQOSA-N 321.373 2.623 0 40 DFAB CN1CCC(CCNC(=O)CCC(=O)c2cccs2)CC1 58304892 MFVWXGGBDSFQSL-UHFFFAOYSA-N 308.447 2.559 0 40 DFAB CSc1c(F)cc(NC(=O)NC[C@@H]2CCCO2)cc1F 97107719 SRXIDHJOCNBXSW-VIFPVBQESA-N 302.346 2.987 0 40 DFAB O=C1OCC[C@H]1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 48314883 TYRPSKRGXFNRAH-MRXNPFEDSA-N 300.333 2.712 0 40 DFAB COc1ccccc1CC1CCN([C@H]2C[C@H](C)OC2=O)CC1 69515458 DNWAYUMTBFRWHM-BBRMVZONSA-N 303.402 2.654 0 40 DFAB CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)OC)c1C 12974765 NVIBWWKCKRQUBJ-LLVKDONJSA-N 301.342 2.824 0 40 DFAB O=C(NCc1cccs1)NC[C@H]1COC2(CCCCC2)O1 38568868 FPHKJYDCMLGPTN-LBPRGKRZSA-N 310.419 2.623 0 40 DFAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1CCCO1 66445157 ADYRXCCBHKDQPG-KBPBESRZSA-N 301.346 2.532 0 40 DFAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(C(N)=O)cc1 8754530 ZNSHIVXIGWQQDU-UHFFFAOYSA-N 318.760 2.629 0 40 DFAB Cn1cc(CCNCc2cccc(OCc3ccccn3)c2)cn1 69786707 JJVVXRJJMXYBNT-UHFFFAOYSA-N 322.412 2.726 0 40 DFAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCC2 5036770 UOARIXHLEPGCMF-UHFFFAOYSA-N 322.343 2.851 0 40 DFAB O=C(NCc1ccc2c(c1)OCCCO2)c1ccccc1F 64986961 KZTSSJNRZPCJIX-UHFFFAOYSA-N 301.317 2.917 0 40 DFAB CN(Cc1nc2ccccc2o1)[C@@H]1CCCN(c2cccnn2)C1 69877752 LLKNVZXWFKXYSY-CQSZACIVSA-N 323.400 2.719 0 40 DFAB Cc1nc2nc(NCc3cccc(Cl)c3)nn2c(O)c1C 18221906 GSKAQYZUXDTNLA-UHFFFAOYSA-N 303.753 2.712 0 40 DFAB COCc1nc(C(=O)Nc2cccc(NC(=O)OC)c2)cs1 65066652 HHSZLALOKDSAKQ-UHFFFAOYSA-N 321.358 2.720 0 40 DFAB COc1ccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)[nH]c2c1 69982124 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DFAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2 29253716 VDNYQBBUDDUCAB-SNVBAGLBSA-N 320.343 2.774 0 40 DFAB COc1ccc(C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1cc(C)no1 48326814 YAMCYPXJCUUIKI-CHWSQXEVSA-N 317.389 2.978 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)no1 3485951 QITWSVOTAGBVOY-UHFFFAOYSA-N 318.329 2.566 0 40 DFAB NC(=O)[C@H]1CCCN1c1nc(-c2cccs2)nc2ccccc12 3453560 FBGPVHCGTGHAAI-CYBMUJFWSA-N 324.409 2.812 0 40 DFAB CCc1c(C)nc2nc(SCc3ccccc3)nn2c1O 18029769 ZMAOOOJJMVOOHI-UHFFFAOYSA-N 300.387 2.993 0 40 DFAB COc1cc(/C=C/C(=O)N2CCC[C@@H](C)C2)cc(OC)c1OC 12983222 CUCRAAPIJQFELU-SBDDDAINSA-N 319.401 2.984 0 40 DFAB COc1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1 69975229 HKCIEBABBHGGFH-KRWDZBQOSA-N 324.380 2.573 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1ccc[nH]1 5210989 RIZSSZPVPGRYGQ-UHFFFAOYSA-N 323.352 2.857 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1 24433352 RCAUGGMDORUFSZ-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB CCSc1nnc(N2CCN(c3ccccc3)CC2)s1 23140081 OSQFTWWVSIOWQB-UHFFFAOYSA-N 306.460 2.977 0 40 DFAB Cc1cc(C)c2oc(C(=O)NCc3ccncc3)cc(=O)c2c1 5346605 JDVBNQBUGIHHQZ-UHFFFAOYSA-N 308.337 2.735 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)CNC(C)(C)C)cc1 14142009 IEBYNRJBYISAFK-DHZHZOJOSA-N 304.390 2.590 0 40 DFAB CCCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 4681131 VVXCWZNWMZBTQX-UHFFFAOYSA-N 321.402 2.885 0 40 DFAB O=c1c2ccccc2nnn1CCSc1ccccc1F 6652975 XUHKJNKZRBZYJW-UHFFFAOYSA-N 301.346 2.723 0 40 DFAB CC(C)c1ccc(NS(=O)(=O)c2cccn3cnnc23)cc1 67172402 KVCDPCCHTPJLER-UHFFFAOYSA-N 316.386 2.654 0 40 DFAB in-vitro O=S(=O)(NC1CCCC1)c1ccc(OC(F)(F)F)cc1 7375655 RESZNLBCPDKFBP-UHFFFAOYSA-N 309.309 2.806 0 40 DFAB O=C(/C=C/c1ccccc1)NCCC(=O)Nc1cccc(F)c1 8287718 ZOCQYMQZONRCSN-MDZDMXLPSA-N 312.344 2.984 0 40 DFAB COCCN(CCOC)C(=O)c1ccc2cc(OC)ccc2c1 8232990 PNBZMJREPKGRHI-UHFFFAOYSA-N 317.385 2.583 0 40 DFAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@@H]1C[C@H]1c1ccccc1 69388646 XDHXWYMCTUBUML-LSDHHAIUSA-N 321.336 2.772 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCOC2)n(-c2ccc(Cl)cc2)n1 69337156 CWDDBKSKAJUVQJ-LLVKDONJSA-N 305.765 2.809 0 40 DFAB CNC(=O)[C@@H]1CCCN1Cc1c(Cl)ccc2cccnc12 69490558 XPFWCMPDELOEPZ-AWEZNQCLSA-N 303.793 2.599 0 40 DFAB O=C(CSCc1noc(-c2ccccc2Cl)n1)NC1CC1 69566702 OUVHWVTXFKLWRA-UHFFFAOYSA-N 323.805 2.902 0 40 DFAB Cc1ccc(F)cc1C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69531291 PHJVNJLYXJPTLB-UHFFFAOYSA-N 313.288 2.730 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c2[nH]ncc2c1 71796653 ULTBFEMJJWELLA-OAHLLOKOSA-N 309.373 2.582 0 40 DFAB CC(=O)N1CCC(C(=O)NCCc2ccc(C(C)C)cc2)CC1 9512559 DBLWSUZNAFDBQH-UHFFFAOYSA-N 316.445 2.727 0 40 DFAB Cc1c(C(=O)N2CCC2)cnn1-c1ccc(Br)cc1 71885408 WTHNAIQVWLJKHL-UHFFFAOYSA-N 320.190 2.789 0 40 DFAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3c(C)cccc3C)[C@@H]2C1 95438282 TWSXWVDDIXMJCK-OAGGEKHMSA-N 303.402 2.712 0 40 DFAB COc1ccccc1C(=O)Nc1cnccc1-n1cc(C)cn1 95434651 JNEVKOATFMDCPU-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB COc1cccc([C@H](O)C(=O)N[C@H](C)c2ccc(C)s2)c1 95450256 ODJNFMSGICMLRK-ABAIWWIYSA-N 305.399 2.976 0 40 DFAB Cc1ccc(OC2CCN(Cc3noc(C4CC4)n3)CC2)nc1 97083973 AGQJCDXTZZLYEJ-UHFFFAOYSA-N 314.389 2.694 0 40 DFAB CC(C)C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccccn1 97038979 UCJUAKTYEYRFPV-RDJZCZTQSA-N 320.433 2.681 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 72235172 IZMAQQWSMMUYLC-CYBMUJFWSA-N 320.343 2.650 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)c3ccsc3)C2)n1 72291685 GORGOPIIRBILKM-ABAIWWIYSA-N 318.446 2.924 0 40 DFAB COc1ccc([C@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)cc1F 72274185 MZCNTFKSCWVDHI-GXTWGEPZSA-N 323.412 2.631 0 40 DFAB CCOc1c(Cl)cc(CNCC[S@@](=O)CC)cc1OC 72284614 XSBLBXTUJZSRPV-HXUWFJFHSA-N 319.854 2.606 0 40 DFAB O=C(O)C[C@@H](NC(=O)/C=C/c1ccccn1)c1ccc(F)cc1 95960563 WYTDYJAZWSKHKS-XVJNWHFHSA-N 314.316 2.566 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C(=O)O)n1 95969693 PZOYSTKBDAYHFX-ZDUSSCGKSA-N 316.382 2.991 0 40 DFAB CC(C)(C)OC(=O)N1CCCCN1C(=O)c1ccc(N)cc1 29753784 MVYMRAPMCNWZIR-UHFFFAOYSA-N 305.378 2.657 0 40 DFAB O=C1CN(C(=O)C2CCCC2)c2ccc(Br)cc2N1 89238022 XGKLGZJWGNQCHH-UHFFFAOYSA-N 323.190 2.924 0 40 DFAB Cc1ccc(C(=O)NCCc2ccc3ccccc3c2)c(=O)[nH]1 75119761 VNZXYAHOTPLSNZ-UHFFFAOYSA-N 306.365 2.809 0 40 DFAB O=C(NCc1cccc(OC(F)F)c1)N[C@@H]1CCCSC1 89780671 HLDZEMBLAJDWFN-LLVKDONJSA-N 316.373 2.983 0 40 DFAB COc1cccc2cc(CN[C@H]3CCN(C(C)=O)C[C@H]3C)oc12 89937442 VGNUMPKWBCDZIF-WBMJQRKESA-N 316.401 2.788 0 40 DFAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1 20047544 AUTGNKMYEJXJSM-QGZVFWFLSA-N 322.424 2.975 0 40 DFAB CSc1nccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 72411109 XIIOZLKDSAREGL-JTQLQIEISA-N 311.407 2.587 0 40 DFAB CC(C)Cn1cc(NC(=O)Nc2cccc([S@@](C)=O)c2)cn1 78585160 JJMCZNWWUFNDHY-QFIPXVFZSA-N 320.418 2.921 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)c(Cl)cn1 72529819 VQZWVFHPGLHRLX-UHFFFAOYSA-N 318.204 2.879 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)O)cc2)cc1 72328158 RBODQTMGHBDEGC-UHFFFAOYSA-N 319.382 2.514 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1cccc(F)c1)CC(C)C 31705358 FMMZHECOVMZBFP-CQSZACIVSA-N 310.369 2.716 0 40 DFAB Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N(C)C 72218604 OXTOLSVWLKUBTH-UHFFFAOYSA-N 321.421 2.944 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)C1(n2cnnn2)CCCCC1 44921774 ZXJCRQNIAHUJLI-AWEZNQCLSA-N 307.442 2.664 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cn1 225883030 PGCDPPBDNGTCML-KRWDZBQOSA-N 324.421 2.887 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OC)ccc1OC 225790591 DQQAEANKIXTTAF-INIZCTEOSA-N 309.362 2.626 0 40 DFAB C[C@@H]1CCCN(CCCNC(=O)CCc2ccc(F)cc2)C1 46960297 OYDLFBBBPKNKNW-OAHLLOKOSA-N 306.425 2.997 0 40 DFAB CO[C@H](CNC(=O)Cc1cccc(O)c1)c1ccc(F)cc1 84406975 YNEVXCMOTYOJDT-MRXNPFEDSA-N 303.333 2.578 0 40 DFAB COc1cccc(O[C@H](Cc2ccccc2OC)C(=O)O)c1 225097288 XUEILWLLOWYTRM-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB CSc1ncc(-c2nnsc2C(=O)OCC(C)C)cn1 223853930 VQAAVJILFSZROZ-UHFFFAOYSA-N 310.404 2.530 0 40 DFAB Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cn1 49549843 ZDWDXIBJKHBDOY-LBPRGKRZSA-N 305.407 2.796 0 40 DFAB CC1(C)CCC(O)(CN[C@H](c2ccccc2)c2nc[nH]n2)CC1 573862850 CVYPIONWNYGXNW-OAHLLOKOSA-N 314.433 2.815 0 40 DFAB O=C(NCCn1ccnc1C1CC1)c1ccc(C(F)(F)F)nc1 225567362 XZODQFAMVXVSDX-UHFFFAOYSA-N 324.306 2.604 0 40 DFAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)NCc1ccco1 94993198 UGFOJNPTGOQZKP-UHFFFAOYSA-N 313.332 2.976 0 40 DFAB Cc1ccc2[nH]c(C(=O)N[C@H]3CC[C@H](C(=O)O)C3)cc2c1C 97231772 JRXLRDMDTXIMCB-RYUDHWBXSA-N 300.358 2.768 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@H](N)c1ccccc1 230457757 IEVCESVDQNZIAB-ZTFGCOKTSA-N 310.397 2.675 0 40 DFAB CCc1ncc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)s1 96480168 LPOQQOLGWYWIEJ-AWEZNQCLSA-N 316.382 2.530 0 40 DFAB O=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 96100612 QUGNKYMCZNIDEM-ROUUACIJSA-N 313.372 2.573 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cn3c(n2)CCC3)s1 580895281 VPYCOKSHSBQFDS-LLVKDONJSA-N 318.446 2.990 0 40 DFAB CCn1cc(CN(C)Cc2cc(C(=O)O)ccc2Cl)cn1 581612947 LIEBVUIGBJUBDE-UHFFFAOYSA-N 307.781 2.887 0 40 DFAB COc1c(N)ncnc1N1CCC[C@H](c2ccc(F)c(F)c2)C1 624448077 MMUGVIVVTQPBPX-NSHDSACASA-N 320.343 2.730 0 40 DFAB CCc1cc(CN2CC[C@H](Cc3ccccc3F)[C@H](O)C2)on1 585278975 JPQWUNIVILGUCK-RDTXWAMCSA-N 318.392 2.802 0 40 DFAB CO[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Cc1ccccc1 585278324 CBLQOEBBBWODEB-MSOLQXFVSA-N 310.397 2.801 0 40 DFAB O=C1CC[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)O1 585286926 XULAFMRSQMXPNM-SFHVURJKSA-N 310.353 2.547 0 40 DFAB C[C@H]1CN(C)CC[C@@H]1NC(=O)CCCCC(=O)c1ccccc1 52194245 KALWZJYXFVSXOL-RDJZCZTQSA-N 316.445 2.886 0 40 DFAB COC1CCN(C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 53885886 HZEPEMUQDAXVSQ-UHFFFAOYSA-N 316.401 2.997 0 40 DFAB Nc1nc(Cl)cc(NC2CCN(CC3CCCC3)CC2)n1 63282635 HNRMXZOQDJMXRK-UHFFFAOYSA-N 309.845 2.779 0 40 DFAB CC(=O)c1csc(NC(=O)c2cnc(C(C)(C)C)nc2)n1 12198218 LLHHSFKHRACPDT-UHFFFAOYSA-N 304.375 2.686 0 40 DFAB Cc1cccc(-c2noc(C)c2C(=O)N[C@H]2CCCOC2)c1 13995945 VOYWUMAMGDMION-AWEZNQCLSA-N 300.358 2.867 0 40 DFAB CCOC(=O)C1CCC2(CC1)CN(C)C(=O)c1ccccc1O2 19530321 SCTJBSBYDCPSPB-UHFFFAOYSA-N 317.385 2.643 0 40 DFAB Cc1cc(O[C@H]2CCN(C(=O)c3ccc(C)s3)C2)cc(=O)o1 206966841 FOXGXYPLKFYQIV-LBPRGKRZSA-N 319.382 2.612 0 40 DFAB CCN1CCC[C@@H](CNC(=O)Cc2c(Cl)cccc2OC)C1 153048246 TVJHLDKTTJJAJG-ZDUSSCGKSA-N 324.852 2.739 0 40 DFAB [O-][n+]1onc2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc21 2142599 ARYSJIVXNUAATC-UHFFFAOYSA-N 314.688 2.832 0 40 DFAB COC[C@@H](C)NCc1cc(-c2ccc(Cl)cc2)c[nH]c1=O 12187445 VQXWXRSEQLPPGX-LLVKDONJSA-N 306.793 2.820 0 40 DFAB O=C(C1CC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140205 MWCCWWOFKQNWRU-NSHDSACASA-N 303.387 2.914 0 40 DFAB CN(c1ccccn1)C1CCN(c2ncc(Cl)cn2)CC1 1889082674 DFQJNNNEPLQGDM-UHFFFAOYSA-N 303.797 2.630 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889179462 ABMLKKCDLVXVDG-GJZGRUSLSA-N 323.440 2.653 0 40 DFAB COc1ccc(CCN(C)c2nc3ccccc3c(=O)n2C)cc1 2087082425 GOUYWWUEWRWGIV-UHFFFAOYSA-N 323.396 2.621 0 40 DFAB COC(OC)[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 1106057 FIAWDZJPJHQTFN-HNNXBMFYSA-N 316.332 2.843 0 40 DFAB CCN(CC)CCNC(=O)COc1ccc(Cl)cc1Cl 1781567 JQVGEJCOJHMTGY-UHFFFAOYSA-N 319.232 2.830 0 40 DFAB Cc1cccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)c1 12180755 VPCMAFGHDQUYTR-UHFFFAOYSA-N 307.353 2.872 0 40 DFAB CC(C)N1CCC(F)(F)[C@@]2(CCN(c3ncc(F)cn3)C2)C1 2055806590 QUZSYYHXTJRNPH-AWEZNQCLSA-N 314.355 2.562 0 40 DFAB C[C@H]1CCc2sc(C(=O)NCCCn3cccn3)cc2C1 40072034 RMFDBXRODMHPOX-LBPRGKRZSA-N 303.431 2.890 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)[C@H](C)CO1 40082876 YHSVQYJGQQENNJ-MNOVXSKESA-N 319.792 2.980 0 40 DFAB CCc1cc(C(=O)Cc2ccc3c(c2)OCO3)c(O)cc1O 138884 XUGRNSSQYYXXBH-UHFFFAOYSA-N 300.310 2.814 0 40 DFAB biogenic C[C@@H]1CN(Cc2ccc(CNC(=O)C3CCC3)cc2)C[C@@H](C)O1 40512535 LRHHTLGHTQLBQA-HUUCEWRRSA-N 316.445 2.712 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 40540596 BYTIIHSZHSSHMN-RYUDHWBXSA-N 321.377 2.896 0 40 DFAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20725850 LWJADARKRKJDRJ-GFCCVEGCSA-N 303.343 2.621 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1F 32585350 DZNBYGDYYIRYTR-UHFFFAOYSA-N 323.345 2.838 0 40 DFAB COc1cc(Cl)c(S(=O)(=O)n2ccc(C)n2)cc1Cl 384580 MYTXMYXJGILPBX-UHFFFAOYSA-N 321.185 2.744 0 40 DFAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)o1 60346197 SZWJIBIIDRNMAW-MRXNPFEDSA-N 320.295 2.833 0 40 DFAB Nc1nc(NCCc2ccc(Cl)cc2Cl)c2nc[nH]c2n1 9576038 SUPOTQRSMFTEOT-UHFFFAOYSA-N 323.187 2.897 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1 12021266 RIQCBGXFUZZCKR-LLVKDONJSA-N 312.163 2.528 0 40 DFAB CN1CC[C@@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1=O 46690856 UXHIGICRGFPYAD-SJLPKXTDSA-N 314.429 2.903 0 40 DFAB Cc1csc(NC(=O)CCC(=O)Nc2nc(C)cs2)n1 2747276 IRZXSLPWUPYIAX-UHFFFAOYSA-N 310.404 2.574 0 40 DFAB COc1ccc(OC)c(NC(=O)NCC2(O)CCCCCC2)c1 78800668 UWKACRDDEBBJQD-UHFFFAOYSA-N 322.405 2.911 0 40 DFAB COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1C 2696997 OJMVSKHZCCWWLT-VXGBXAGGSA-N 311.447 2.979 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)OCO2 3366067 LOUKYWUUWARXFD-LBPRGKRZSA-N 311.337 2.772 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)on2)c1 52955294 QBHSMUMOYVSZIA-OAHLLOKOSA-N 316.357 2.978 0 40 DFAB CC(C)C(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 41566917 UAVRUEMGDUXXGR-NSHDSACASA-N 314.179 2.737 0 40 DFAB COc1ccc(F)cc1CN1C(=O)N(C)C2(CCCCC2)C1=O 22181852 UUVQFYHBEQLMKL-UHFFFAOYSA-N 320.364 2.931 0 40 DFAB COc1cccc(-c2noc(CCCC(=O)NCC(C)C)n2)c1 6811714 JKEVWVFBXYCPPY-UHFFFAOYSA-N 317.389 2.840 0 40 DFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccn2)CC1=O 53280905 AMWHDRUSLSKDRI-UKRRQHHQSA-N 309.369 2.630 0 40 DFAB O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccccc1 8434728 SGPCULINSIEYDX-UHFFFAOYSA-N 308.337 2.982 0 40 DFAB C[C@H](OC(=O)c1ccco1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104096211 LKQAPZPUMIOBHZ-QMVSFRDZSA-N 305.374 2.766 0 40 DFAB CCOC(=O)c1sc2nc(C)nc(NCCOC)c2c1C 9588113 SZESELGSOSYCRI-UHFFFAOYSA-N 309.391 2.543 0 40 DFAB Cc1ccc2nc(CNC(=O)N3CCc4ccccc4C3)cn2c1 57229095 ZIUAIFPTFFUJIA-UHFFFAOYSA-N 320.396 2.911 0 40 DFAB COCCC1(C(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)CCC1 108356453 JHUCUFOFVUTFBY-ULQDDVLXSA-N 320.477 2.526 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1O 3248267 YXKFNKWJSNHNDF-ZDUSSCGKSA-N 313.353 2.735 0 40 DFAB O=C(c1ccc(-c2cnco2)cc1)N1CCCN(C2CC2)CC1 58156306 GKPHDZHHGNWEOM-UHFFFAOYSA-N 311.385 2.652 0 40 DFAB NC(=O)[C@H]1CCCCN1Cc1csc(-c2ccccc2)n1 44867544 YZILFNXZYAZQRX-CQSZACIVSA-N 301.415 2.650 0 40 DFAB C[C@H](C(=O)N1CC2(CCCC2)c2c(F)cccc21)n1cncn1 58244921 XUHLASYWWUKRQE-GFCCVEGCSA-N 314.364 2.837 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1cn2ccsc2n1 48236251 TWUFBTITDPQEPS-TZMCWYRMSA-N 321.446 2.650 0 40 DFAB Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)no1 58280264 BQDMDGBPMFNIHN-UHFFFAOYSA-N 321.808 2.840 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)Nc1cccnc1N1CCCC1 44972716 HYQAKFBYRFDQDG-CQSZACIVSA-N 318.421 2.572 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Sc1nc(O)c2cc(F)ccc2n1 58306592 IBHHTPXVZKUXGS-SECBINFHSA-N 323.393 2.727 0 40 DFAB CN1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccsc1 58356807 IREAJKHJDHYIOM-HNNXBMFYSA-N 320.439 2.933 0 40 DFAB CN1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1=O 45196800 BNSRHSOOHVDSMO-ZDUSSCGKSA-N 320.820 2.699 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCOCC1 28246939 JDKJFLBEHCHZMV-UHFFFAOYSA-N 302.399 2.515 0 40 DFAB CCOC(=O)N[C@H](C(=O)NCc1ccc(F)c(C)c1)C(C)C 36397855 PGVMZFKTQONMFP-AWEZNQCLSA-N 310.369 2.521 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2O)on1 11007885 OHZMWERUEFUKRJ-MRVPVSSYSA-N 324.720 2.526 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cccc(F)c2C)c1 409196690 YCZMLGQGMRESHX-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB CCC1=NN(C(=O)Cc2ccc(C)cc2)[C@@](O)(c2ccncc2)C1 408751395 LWCMGKXAXOJKJN-IBGZPJMESA-N 323.396 2.776 0 40 DFAB COc1ccc(/C=C/C(=O)N(C)Cc2ccncc2)cc1OC 64028568 CNAGPDMJKQMRRF-FNORWQNLSA-N 312.369 2.771 0 40 DFAB Cn1ncc2c1N=C(O)C[C@@H]2c1cc(Cl)c2c(c1)OCO2 49546252 RHHZGEJVBJKAFN-MRVPVSSYSA-N 305.721 2.926 0 40 DFAB Cc1cccc(N2CCN(C(=O)CCc3nccs3)CC2)c1 49677750 XUKSDOJTWJYNBA-UHFFFAOYSA-N 315.442 2.733 0 40 DFAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 13722357 IDEHADCVERFHEM-CQSZACIVSA-N 324.359 2.888 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)c1 49986483 VHLKQKVANYDKSK-UHFFFAOYSA-N 311.384 2.580 0 40 DFAB COc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)[nH]c2c1 4484712 RMFJDTSFDGLEBJ-LLVKDONJSA-N 319.430 2.922 0 40 DFAB O=C(NC1CCCC1)c1nnn(-c2ccccc2)c1C(F)(F)F 65540904 HOLXCBMRVPDDRK-UHFFFAOYSA-N 324.306 2.959 0 40 DFAB Cc1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1 14240551 HSMUCSCVWMRFTP-UHFFFAOYSA-N 316.390 2.733 0 40 DFAB Cc1cccc(C)c1NC(=O)Cn1c(=O)cnc2ccccc21 6610350 GHJXUKGRRNBZDH-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB COCCCNC(=O)Cc1csc(-c2ccc(C)cc2)n1 6754593 KVBKSMWXNHSHNF-UHFFFAOYSA-N 304.415 2.814 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccsc2)c1 67010451 LOIIZNOYSHOYBF-NSHDSACASA-N 310.444 2.507 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)no1 7059410 HEBMGXCKSCXNDD-SECBINFHSA-N 302.359 2.979 0 40 DFAB CCO[C@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 67563712 CHZOABAYYBXXBP-ZDUSSCGKSA-N 323.368 2.817 0 40 DFAB COC(=O)c1ccc(CN2CCC(Cn3cccn3)CC2)cc1 90473544 ZNRYHULKRZWVOD-UHFFFAOYSA-N 313.401 2.582 0 40 DFAB CCCc1noc(CSc2nccn2Cc2ccccn2)n1 71903279 QIMPMJXAEVOTLY-UHFFFAOYSA-N 315.402 2.954 0 40 DFAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 8234560 KNVKOYUFYFNQRT-CQSZACIVSA-N 300.402 2.979 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2Cn2cccn2)c1 69743912 OZWHRRBPMKOIFO-FGTMMUONSA-N 309.413 2.986 0 40 DFAB Cc1cccc(Oc2ccccc2CNC(=O)[C@@H]2CCC(=O)N2)c1 69918389 IEXFCSCCSZIQCX-INIZCTEOSA-N 324.380 2.682 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N(C)CCCN1CCN(C)CC1 72308462 HUWWNLRELSNFMS-AWEZNQCLSA-N 311.420 2.595 0 40 DFAB COCCOCC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 72282018 FVAUXGMAMXKROY-GFCCVEGCSA-N 318.200 2.760 0 40 DFAB CCCOc1ccc(S(=O)(=O)N(C)C)cc1OCCC 72414177 RKXULAWRPGSCCD-UHFFFAOYSA-N 301.408 2.515 0 40 DFAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2ccc(F)cc21 72404140 QDMVKPGUPLFKIU-MRXNPFEDSA-N 314.320 2.833 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2sc(C)nc2C)n1 72405684 ZEEBFPODHLICPB-UHFFFAOYSA-N 311.388 2.645 0 40 DFAB CCN(Cc1cccc2c1OCO2)C(=O)[C@H](C)c1cccnc1 95405549 MLMXZNGAVROTRB-CYBMUJFWSA-N 312.369 2.963 0 40 DFAB C[C@@H]1C[C@H](c2ccsc2)CN1c1nnc(Cl)cc1C(N)=O 95406106 MAQZFTABZLUCBH-SCZZXKLOSA-N 322.821 2.673 0 40 DFAB O=C(C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1)c1ccccc1 85482283 JJXMLWFEGNNAIX-HOTGVXAUSA-N 301.386 2.677 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 95958392 LZHXNBFWDHTRKC-UHFFFAOYSA-N 324.384 2.746 0 40 DFAB CN(Cc1cccs1)C(=O)c1ccc(-c2ccco2)[nH]c1=O 75124794 TWXSCCMIOAUBSB-UHFFFAOYSA-N 314.366 2.969 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H](C)Cn2ccnc2)s1 89656399 URFRBIUUBDEIDJ-MRVWCRGKSA-N 303.431 2.809 0 40 DFAB COC(C)(C)c1noc(-c2cccc(-c3nnc(C)o3)c2)n1 89736423 NFGXOOKOGMVQCN-UHFFFAOYSA-N 300.318 2.977 0 40 DFAB Cc1cnc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)s1 89702429 FTAPUTQXEILDRG-LBPRGKRZSA-N 304.375 2.532 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 89874388 BHKHVNWJXKVLEQ-UHFFFAOYSA-N 319.340 2.511 0 40 DFAB COc1ccc(CN2CCn3c(-c4cccnc4)cnc3C2)cc1 306127293 FUNYNPMHYPEJAA-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CC1(O)CCCCC1 72386151 NRQPATFSQWQTOM-CQSZACIVSA-N 305.422 2.857 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl 408712791 RKSSWOSANOGGNK-UHFFFAOYSA-N 321.167 2.978 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N(C)CC3CCCC3)CC2=O)cc1 60211722 DQYXWRCSPRACPL-INIZCTEOSA-N 314.429 2.997 0 40 DFAB COc1cccc(S(=O)(=O)N2CC[C@H](c3ccsc3)C2)c1 670436796 SWDSDNYQVURZDA-LBPRGKRZSA-N 323.439 2.935 0 40 DFAB CN(C)CC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72358169 DPOHOQSKOFRPOE-IBGZPJMESA-N 323.440 2.898 0 40 DFAB CO[C@](C)(C(=O)Nc1cccc(C(N)=O)c1C)c1ccccc1 78606195 IBPKLJZUCFKKID-SFHVURJKSA-N 312.369 2.594 0 40 DFAB O=C(NCc1csc(Br)c1)C1CCOCC1 32581289 UMXBVMZWQUEZHC-UHFFFAOYSA-N 304.209 2.553 0 40 DFAB CCn1c(SC)nnc1C1CCN(c2cc(C)ncn2)CC1 72369026 HZSDGSIALOIPAL-UHFFFAOYSA-N 318.450 2.502 0 40 DFAB C[C@]1(O)CCN(C(=O)N[C@H](c2ccccc2)c2ccco2)C1 188249095 CLAPPIHSQIYMJS-WBVHZDCISA-N 300.358 2.535 0 40 DFAB C[C@@H](CN(C)C(=O)c1conc1C(C)(C)N)c1ccccc1 563414657 XVEUNCPOYVXCRJ-LBPRGKRZSA-N 301.390 2.744 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C 223092319 VPHCCUMLBCQGSI-ZDUSSCGKSA-N 320.433 2.737 0 40 DFAB CCCn1c(SCc2nc3ccc(F)cc3o2)n[nH]c1=O 96465897 LFMNQIFYYJTKFU-UHFFFAOYSA-N 308.338 2.554 0 40 DFAB COC[C@@H](C)C(=O)N[C@@H](C)Cc1ccccc1Br 96470665 PAXDBFTUBDICIU-MNOVXSKESA-N 314.223 2.779 0 40 DFAB CC[C@](Cl)([C@@H](O)c1ccc(OC)cc1)S(=O)(=O)CC 96520791 MXEKWAKJIGCDCR-QWHCGFSZSA-N 306.811 2.508 0 40 DFAB CO[C@@H](CNc1ccccc1S(C)(=O)=O)c1ccccc1 96429148 KOICAUAAZHCDHP-HNNXBMFYSA-N 305.399 2.890 0 40 DFAB FC(F)(F)c1nn(Cc2noc(C3CC3)n2)c2ccncc12 92917829 NCWMUFSLJQIKPH-UHFFFAOYSA-N 309.251 2.759 0 40 DFAB CCOCc1cnc2n1CCN(Cc1c(C)noc1C)[C@H]2C 96109659 PPEUOTABIGJLKR-LBPRGKRZSA-N 304.394 2.601 0 40 DFAB CCCCc1nc(CN2CCCC[C@H]2c2ccnc(N)n2)c[nH]1 257262781 LMWSAKSGWFRRHZ-HNNXBMFYSA-N 314.437 2.852 0 40 DFAB O=C(NCc1nccn1-c1ccccc1)[C@@H]1C[C@H]1c1cccnc1 252490867 LDJWFJPQNWKQIA-DLBZAZTESA-N 318.380 2.687 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@H]1c1ccnc(NC)c1 257214778 CNKGRIARUVKDAH-LBPRGKRZSA-N 317.418 2.515 0 40 DFAB Cc1nccn1-c1ncc(NC(=O)c2cccc(Cl)c2)cn1 85470424 VLLHTBIDHDADGW-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](NCC3CCOCC3)[C@H]2O)c1 585289624 SNVDTPVGARXQNU-IPMKNSEASA-N 319.445 2.672 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 981348 AXJIFFXPFPROGZ-YXYQAXARSA-N 323.345 2.814 0 40 DFAB Cc1n[nH]c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 11705564 AJJJSAABZJXDRU-CYBMUJFWSA-N 302.403 2.569 0 40 DFAB c1cc(C2=N[C@@H](c3ccncc3)[C@@H](c3ccncc3)N2)ccn1 12360673 ATGSPSOGIXJNPS-CALCHBBNSA-N 301.353 2.704 0 40 DFAB O=C(COc1cc(Cl)ccc1C(=O)O)NC1CCCCC1 13085341 JOGKGCZOGNNJMW-UHFFFAOYSA-N 311.765 2.866 0 40 DFAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccccc1Cl 15838895 GOXVQZMNDZNGJX-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB C[C@@H]([C@H](C(=O)N1CCCCC1)N1CCCCC1)N1CCCCC1 19366252 ADKFLHVQVMGMJD-ZWKOTPCHSA-N 321.509 2.728 0 40 DFAB CC(C)n1cccc1C(=O)O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 156319624 KQKQSSIJMSURGT-CHWSQXEVSA-N 313.419 2.582 0 40 DFAB Cc1noc([C@@H]2CCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1 560390675 ZYVIMWXAMOLXNG-CYBMUJFWSA-N 324.340 2.663 0 40 DFAB COc1cccc2sc(N3CC(Cn4cc(C)cn4)C3)nc12 1889180430 DIRXKYJEWBWHAP-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2nsnc12 215234 VXCMBSDQOBENTP-ZJUUUORDSA-N 311.432 2.548 0 40 DFAB CCn1c(=O)c(C(=O)Nc2cccc(OC)c2)cc2cccnc21 5304034 MOMMGJWJQSGHSL-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1 9572794 GBXSBOVARZWXHJ-UHFFFAOYSA-N 316.382 2.599 0 40 DFAB Cc1cc(C)cc(NC(=O)c2cnc3ccc(C)cn3c2=O)c1 9830075 XBLOKEOTCCKXSQ-UHFFFAOYSA-N 307.353 2.872 0 40 DFAB O=C(CC1CCCCC1)NCc1nnnn1C1CCCCC1 10594108 OOWNYKQIGLBLNX-UHFFFAOYSA-N 305.426 2.765 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 17135471 RPVIHPIZVYZBOY-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccno1 9625203 KYNUBCSIYABNBT-UHFFFAOYSA-N 300.270 2.850 0 40 DFAB C[C@@](O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2 75155476 OYGGCUGEPGZNSB-OAHLLOKOSA-N 320.370 2.506 0 40 DFAB Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1Cl 10464429 DPLAMLUEWJDWNL-UHFFFAOYSA-N 305.769 2.508 0 40 DFAB CCc1[nH]c(C(=O)NC(C2CC2)C2CC2)c(C)c1C(=O)OC 40049145 MHJFETISNCIZAE-UHFFFAOYSA-N 304.390 2.591 0 40 DFAB COCCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185161 KQQHHQZYTAVFRK-CYBMUJFWSA-N 324.384 2.569 0 40 DFAB CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 30582751 ACBZVTSKZKPWHA-UHFFFAOYSA-N 306.837 2.972 0 40 DFAB CNC(=O)[C@@H]1C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)NC(=O)OC(C)(C)C 32098953 YYIOUIMMZRRKRK-XSLLRJJBSA-N 310.438 2.698 0 40 DFAB COc1cc(OC)c(C(=O)Nc2cccc(O)c2)cc1OC 365265 SEVMXRRCVABPCN-UHFFFAOYSA-N 303.314 2.670 0 40 DFAB O=C1CCCN1Cc1nnc(SCCc2ccccc2)o1 32691582 REBHXHYEANURPN-UHFFFAOYSA-N 303.387 2.527 0 40 DFAB NC(=O)[C@@H]1CCN(c2nc(-c3ccsc3)nc3ccccc23)C1 52393088 SIFNQFKWTRYGND-LLVKDONJSA-N 324.409 2.670 0 40 DFAB C[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccccc1 60278246 BKQIPRIHIFCFET-OAHLLOKOSA-N 317.433 2.840 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(OC)CC1 76088682 XJJXRRDYFZKSTQ-NSHDSACASA-N 310.369 2.716 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N[C@H]1c2ccccc2C[C@H]1O 77533708 WTFHAAVFKVMHPP-HWMSQKFYSA-N 322.408 2.890 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@H]2CCCC[C@@H]2O)on1 78953250 FHLOUEJZHPXVRL-ZFWWWQNUSA-N 309.410 2.681 0 40 DFAB O=C(c1ccncc1)N1CC[C@H](OCCCc2ccccc2)C1 79024709 CESLYRQXYJVVRV-SFHVURJKSA-N 310.397 2.946 0 40 DFAB CCCCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)NC)cc1 33210320 VUTCFBCPHFRSBT-MRXNPFEDSA-N 318.417 2.606 0 40 DFAB COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)O)cc1Cl 542967 CUMORFPZCKHDLC-NSHDSACASA-N 314.769 2.969 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 12133401 UCFGEOPQGIFROX-UHFFFAOYSA-N 324.336 2.577 0 40 DFAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccncc1 6787467 CXWZINKJINQVCE-VIFPVBQESA-N 312.295 2.880 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1c1ccsc1 47028413 LCIQPQCKNMXVJJ-GXTWGEPZSA-N 304.419 2.880 0 40 DFAB CCC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(-c4ccco4)nn3c1C2 100143129 IXXPMFFYAKPKEY-FZMZJTMJSA-N 322.368 2.988 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1 10544258 GVEMAMKTITWUPF-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB C[C@@H](C(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O 3070611 NYSKJSLQIMJLIO-LBPRGKRZSA-N 314.385 2.510 0 40 DFAB CCOc1ncccc1CNC(=O)NCCCc1ccccc1 12545934 WFDUYHJXVBYMIH-UHFFFAOYSA-N 313.401 2.912 0 40 DFAB CCc1ccc([C@@H](CNC(=O)Nc2nncs2)N(C)C)cc1 43130889 MDMDUERYKSGAQS-CYBMUJFWSA-N 319.434 2.525 0 40 DFAB CCOC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1C 9926432 CGQWYKUKUOVWMG-UHFFFAOYSA-N 316.748 2.930 0 40 DFAB CN(C)C1(CNC(=O)c2cccnc2S)CCCCCC1 24928505 ADXDNOVZSVYJQT-UHFFFAOYSA-N 307.463 2.755 0 40 DFAB CC[C@@H]1CCC[C@@H](NC(=O)NCc2c(C)nn(C)c2OC)C1 96503095 DZWHCAKTAHVNAI-CHWSQXEVSA-N 308.426 2.505 0 40 DFAB COc1cccc(CS(=O)(=O)NC2(c3ccccc3)CC2)c1 71910760 XXHAZCIKBJCLSD-UHFFFAOYSA-N 317.410 2.804 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)nc1 25090874 WBFOPMYBOYRMNS-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB Cc1cc(Br)c(S(=O)(=O)N(C)C)cc1Cl 54363093 INFUPKAYPZLLAH-UHFFFAOYSA-N 312.616 2.661 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 25369053 UWXVWYGGOIKQKT-OAHLLOKOSA-N 321.373 2.769 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1 107366303 HYHNNONZLKIUJI-BBRMVZONSA-N 303.406 2.643 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1C(=O)c1ccco1 69831934 GDMGTQLYGABNPW-CYBMUJFWSA-N 320.295 2.801 0 40 DFAB Cc1ccc2nc(Cl)c([C@@H]3NC(=O)[C@H]4CCCN43)cc2c1 35343848 RHLYDZNZNSDIMV-UKRRQHHQSA-N 301.777 2.789 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@@H]12 107845238 CHYJWVKVZYFTJL-QUCCMNQESA-N 321.424 2.570 0 40 DFAB CN1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1=O 44350149 AXNNAQHRWXTLNR-CJNGLKHVSA-N 320.820 2.776 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cc(C)ccc3O)CC2)c1 57531657 SRDGVIIWCVOXBF-UHFFFAOYSA-N 310.397 2.971 0 40 DFAB COc1ccc(CNC[C@@H](O)c2ccc(F)c(F)c2)cc1O 58014432 TUUHEQYPHLXSAZ-OAHLLOKOSA-N 309.312 2.502 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1c(F)cccc1F 3397160 JUXSMSCTDIYPCM-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1cccnc1NC(=O)NCCNC(=O)CC1CCCCC1 58264268 CYHXGHMZHHSGMT-UHFFFAOYSA-N 318.421 2.598 0 40 DFAB CCC[C@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC 97164445 YPAOXLHGHKUXDF-IRXDYDNUSA-N 318.461 2.971 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)NO[C@@H]1CCCCO1 58330468 ARJYBRXLLWILPQ-QGZVFWFLSA-N 316.357 2.849 0 40 DFAB CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)C2CCC2)c1 72319271 KBLGJFGVBQYLIU-UHFFFAOYSA-N 313.357 2.788 0 40 DFAB Cc1cc(C)c(CNC(=O)NCCC2=CCCCC2)c(=O)[nH]1 72305710 WNDIQZXDGRMOQB-UHFFFAOYSA-N 303.406 2.681 0 40 DFAB O=C(COC1CCCCC1)N1CCC(N2CCCCC2)CC1 58935603 JUTFIAFYIVVRKB-UHFFFAOYSA-N 308.466 2.813 0 40 DFAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1F 12789630 RHSOGCFIHLUBGZ-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB CC(=O)NCC1CCN(C(=O)c2cc3ccccc3s2)CC1 48352698 HWSDRPGJIBDXCS-UHFFFAOYSA-N 316.426 2.890 0 40 DFAB CC(C)N1CCC(NC(=O)c2ccccc2OC(F)F)CC1 48312637 BBLAPLMEEBJFKC-UHFFFAOYSA-N 312.360 2.891 0 40 DFAB CONC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 12944466 OWCBJTFYRPRDLZ-ZCFIWIBFSA-N 308.559 2.547 0 40 DFAB COc1ccc(C)cc1CC(=O)NCc1ccc(C(=O)O)cc1 13261567 ICOGJJBZPRWXJY-UHFFFAOYSA-N 313.353 2.561 0 40 DFAB O=C(O)COc1ccc(NC(=S)NCc2ccccc2)cc1 408587955 VEFNODWYAXJUHH-UHFFFAOYSA-N 316.382 2.637 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](CC)N2CCCC2=O)C1 110652465 KNOOFIPJNIKSBV-MCIONIFRSA-N 312.479 2.520 0 40 DFAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC1CC1 5105978 NEMULSGYDBENJP-UHFFFAOYSA-N 312.369 2.541 0 40 DFAB Cc1csc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)n1 14106118 XOOBVCYCDNFASM-VIFPVBQESA-N 303.343 2.559 0 40 DFAB CC(C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 14134942 MQDUPZWFCZCSJZ-UHFFFAOYSA-N 313.401 2.651 0 40 DFAB COc1ccccc1OCCNC(=O)Cc1c[nH]c2ccccc12 5937928 ZFGGRPFWDPWAOQ-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB CN(C[C@@H]1CCCCO1)C(=O)c1ccnc(OC2CCC2)c1 90028397 IKSWDVFRDWRTCO-HNNXBMFYSA-N 304.390 2.654 0 40 DFAB COC(=O)c1ccc(Cl)c(CSCc2nncn2C)c1 96004451 VNWXVAOCOQLDHN-UHFFFAOYSA-N 311.794 2.689 0 40 DFAB Fc1ccccc1CN1CCC(CNC[C@H]2CCCO2)CC1 19735505 ZWXLBRRULUXMDJ-QGZVFWFLSA-N 306.425 2.806 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cn1 71796927 AHFJJDNAUOROML-ZDUSSCGKSA-N 301.415 2.948 0 40 DFAB COc1ccc([C@@H](O)CNC(=O)C2(c3ccccc3)CC2)cc1 69587523 CGLUJTVRNOGLJE-KRWDZBQOSA-N 311.381 2.577 0 40 DFAB c1ccc2sc(NC[C@@H]3COC4(CCOCC4)O3)nc2c1 97037259 NFQNBPZHNBTUKK-LLVKDONJSA-N 306.387 2.630 0 40 DFAB O=C(c1cc2ccccc2s1)N1CCC(OCCCO)CC1 84595000 IEZIIVXZSDKSRT-UHFFFAOYSA-N 319.426 2.905 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(-n2ccnc2)c1 72287429 DSBOKCXVSLGDNE-AWEZNQCLSA-N 306.369 2.891 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1cnc(-c2ccsc2)s1 72281056 NBWUEADHXVPOET-UHFFFAOYSA-N 303.368 2.812 0 40 DFAB NC(=O)c1cccc(CCNCc2cnc(C3CCC3)s2)c1 95415460 PCXCEZPMFLAPGP-UHFFFAOYSA-N 315.442 2.842 0 40 DFAB Cc1nccn1CCCCNC(=O)c1ccnc(Cl)c1F 95449810 FWMPTMYOIOFESI-UHFFFAOYSA-N 310.760 2.589 0 40 DFAB Cc1ccsc1C(=O)N1CC(C(=O)OCc2ccccc2)C1 95467387 NHODSFSXARESNM-UHFFFAOYSA-N 315.394 2.872 0 40 DFAB Cc1cc(F)ccc1-n1ccc(NC(=O)N(CCO)C(C)C)n1 95939243 MJJAYGINKGMARC-UHFFFAOYSA-N 320.368 2.554 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(F)c(F)c1 95980325 YZWGQBTYGOQLFJ-CQSZACIVSA-N 321.327 2.518 0 40 DFAB COc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C)[C@H]1CO 89865456 JJZYNGZQZJHSNC-ZWNOBZJWSA-N 312.797 2.973 0 40 DFAB CC[C@H](NC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccs1 89947942 VPVREYJTRAEWSK-MELADBBJSA-N 324.446 2.789 0 40 DFAB CCn1cc(NC(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)ccc1=O 89948150 UCUHWPHBRVXIHN-ZIAGYGMSSA-N 321.421 2.583 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)on1 75602240 NZUORFNOBLMIOD-SNVBAGLBSA-N 308.769 2.656 0 40 DFAB CCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408707712 COUOGLVLFMDZCJ-UHFFFAOYSA-N 306.406 2.966 0 40 DFAB COC(=O)c1[nH]nc(-c2ccc(OC)cc2)c1Br 38478432 VQXOKDBYDUGYBT-UHFFFAOYSA-N 311.135 2.634 0 40 DFAB O=C([C@H]1CCC(=O)N1Cc1cccs1)N1CCCCCC1 72239763 JAEQISPONNYMIG-CQSZACIVSA-N 306.431 2.642 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 78987633 RTXGVJBRIBHWBD-TZMCWYRMSA-N 324.446 2.532 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 72382429 NXXVRJVLCPEBGT-GFCCVEGCSA-N 317.418 2.977 0 40 DFAB O=C(O)CCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 37409977 QJORASAHCYBGIF-GQCTYLIASA-N 302.157 2.988 0 40 DFAB CCCNc1nc(N)c(C(=O)c2ccc(OC)c(OC)c2)s1 72408185 SQDGRBMVYKLYJK-UHFFFAOYSA-N 321.402 2.795 0 40 DFAB CNc1ncccc1CCc1cccc(OC)c1C(=O)OC 35973584 UYWQSURDJMXHBI-UHFFFAOYSA-N 300.358 2.704 0 40 DFAB CCOc1cc(N2CCC(n3cc(Cl)cn3)CC2)ncn1 129370594 FMNWOOFRPFKYHE-UHFFFAOYSA-N 307.785 2.567 0 40 DFAB CCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C 224141543 AQGJIQYMUJNNBZ-OAHLLOKOSA-N 304.434 2.894 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1 222572940 UJFGLVKAAQHGSR-UHFFFAOYSA-N 313.357 2.947 0 40 DFAB O=C(O)CCc1nc2ccccc2c2nc(-c3ccccc3)nn12 40555396 JTLYFIPFVRCYHL-UHFFFAOYSA-N 318.336 2.962 0 40 DFAB CCS(=O)(=O)C[C@@H](C)NCc1cc2cc(C)c(C)cc2o1 96453976 RPVQQDTXRWPRQY-CYBMUJFWSA-N 309.431 2.962 0 40 DFAB CC[C@@H]1Oc2cc([C@H](C)NC[C@@H]3CCCOC3)ccc2NC1=O 97230684 IJJIKMJPTXRLRZ-XEZPLFJOSA-N 318.417 2.873 0 40 DFAB Cc1csc([C@@H](C)NC(=O)CCc2ccc(C(=O)O)cc2)n1 96479799 UXCFKPACKCRAIW-LLVKDONJSA-N 318.398 2.960 0 40 DFAB O=C1N(c2ccsc2)CC[C@]12CCCN(c1ncccn1)C2 96048752 XZUULSKAMKLJNC-INIZCTEOSA-N 314.414 2.562 0 40 DFAB Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)O)o1 579708333 KIFCSJBNODYEGE-LLVKDONJSA-N 323.370 2.668 0 40 DFAB CSC[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C 96413896 MPEJVRAUHJPQNU-CQSZACIVSA-N 322.474 2.765 0 40 DFAB COC(=O)N1CCC(NC(=O)c2cc(C)c(C)cc2Cl)CC1 97236937 SGOMOVASOALQRU-UHFFFAOYSA-N 324.808 2.917 0 40 DFAB CS(=O)(=O)Cc1nc(-c2ccccc2OC(F)F)cs1 96417541 QURXSTHSEKTQTK-UHFFFAOYSA-N 319.354 2.956 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 97234396 FCIZJKLZESYZOX-MGPQQGTHSA-N 308.451 2.930 0 40 DFAB FC(F)CN1CCC(N[C@@H]2CCN(CC3CCCC3)C2)CC1 96478773 YGHXUQKLUXIVQT-MRXNPFEDSA-N 315.452 2.570 0 40 DFAB CCc1ccc([C@@H]2[C@@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1 242677122 SYYUYBDVOFAIQA-KZNAEPCWSA-N 316.422 2.797 0 40 DFAB CO[C@H](C[C@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1)C(=O)O 248143598 CVPIBKKDDCLYAR-CMPLNLGQSA-N 314.765 2.988 0 40 DFAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(C)cc1 257310900 UHBUZNHWOVYNCU-WBVHZDCISA-N 302.418 2.821 0 40 DFAB Cc1nccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccccn4)C[C@@H]32)n1 257290912 QEUMULRTIASECH-BFYDXBDKSA-N 322.412 2.521 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1cnccn1 257298322 RLFGNRZIGHLWPP-INIZCTEOSA-N 307.353 2.616 0 40 DFAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccsc2)n1 257212433 CDKMWVFEENQTMP-HNNXBMFYSA-N 316.430 2.577 0 40 DFAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCc1ccn(C)n1 257173203 GMKXGSPCLYLMRU-UHFFFAOYSA-N 324.359 2.860 0 40 DFAB Cc1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2C)cs1 252498870 ROOFXDZHRWHEIR-GFCCVEGCSA-N 304.371 2.706 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)C(C)C)C2)n1 257242288 IBUHNMCEFUPHPN-CYBMUJFWSA-N 313.405 2.537 0 40 DFAB CNC(=O)c1cnc([C@H]2CCCCN2Cc2cncs2)s1 257231855 GIKRNHOPAZGLAU-LLVKDONJSA-N 322.459 2.686 0 40 DFAB Cn1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 268607151 JXLKGGQJXVTCFI-UHFFFAOYSA-N 303.387 2.889 0 40 DFAB CC1(C)CN(C(=O)c2ocnc2C2CC2)C[C@@H](C(F)(F)F)O1 293701894 LCPJOOCNEWGEFK-VIFPVBQESA-N 318.295 2.734 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1cccc(OC)c1 298086793 FWIXTFOTOIKKQA-CQSZACIVSA-N 320.433 2.644 0 40 DFAB CC[S@@](=O)CCNCc1cccc(OCc2ccccn2)c1 75612350 JUNWRYRKUMONTB-QFIPXVFZSA-N 318.442 2.519 0 40 DFAB COc1cccc(NC(=O)CN2CCC(C(F)(F)F)CC2)c1 75969481 GGUXAXULSFDYER-UHFFFAOYSA-N 316.323 2.908 0 40 DFAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)C(C)(C)C)CC1 72394640 HECJSODOGQBDLZ-CYBMUJFWSA-N 323.462 2.605 0 40 DFAB O=S(=O)(c1ccc(F)cc1Br)C(F)(F)F 604221704 XJZQQOKTHVQKDP-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB CCCOC(=O)C(C(=O)OCCC)=C1SC[C@@H](C)S1 5793444 NWOWNLDFVPRUNL-SECBINFHSA-N 304.433 2.973 0 40 DFAB CC(C)Oc1cccc(C(=O)NC(=S)NCc2ccco2)c1 14257810 QYODUGMFHRIFKP-UHFFFAOYSA-N 318.398 2.871 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2c(F)cccc2F)CC1 19292650 GOAAOVOOKSYKSU-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB O=C(NCCCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@@H]2C=C[C@H]1C2 19346132 JCGPCZMICPADSZ-MBNYWOFBSA-N 313.376 2.963 0 40 DFAB Cc1cc(-c2cn[nH]c2)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691071 KGINJGPQFHPISR-GOSISDBHSA-N 322.416 2.851 0 40 DFAB COc1cc(C)ccc1OCCn1cncc1-c1cnn(C)c1 19719517 HIQXWLKEFJVHAU-UHFFFAOYSA-N 312.373 2.680 0 40 DFAB Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@H]1CNCCO1 157612529 YUIHUEQYQIUGRQ-WBVHZDCISA-N 304.434 2.577 0 40 DFAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1cccnc1 226321358 USZMHEQMVUJAJW-UHFFFAOYSA-N 306.749 2.812 0 40 DFAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cscn3)C2)c1 643913628 CUWOWYIRKZGECT-QGZVFWFLSA-N 318.442 2.857 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3315655 HGJYPWYNCFAWKR-XJKSGUPXSA-N 318.417 2.604 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)NCc1ccc2c(c1)OCO2 4835327 FKQINYKCDOVBIX-LLVKDONJSA-N 316.382 2.607 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1cc2c(nn1)CCC2 1888873063 HHDHVYUGLMOVIQ-UHFFFAOYSA-N 303.749 2.880 0 40 DFAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 20795109 DUGILOZNMZPKJP-UHFFFAOYSA-N 320.364 2.899 0 40 DFAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCCC1 415878 SXUBWFDEWVKMSO-UHFFFAOYSA-N 307.350 2.590 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCCN2CCC[C@@H]2C1 19112163 RMTMSQYHRYSJNV-MRXNPFEDSA-N 311.429 2.797 0 40 DFAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 40081423 MFVXGGYVRJMMND-JTQLQIEISA-N 316.382 2.878 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(Nc3ncccn3)c2)n1C 30551049 BWCDNMLJRQLIKK-UHFFFAOYSA-N 321.384 2.797 0 40 DFAB Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)no1 40465956 VLJPSHDQPNTJBT-MRVPVSSYSA-N 303.343 2.668 0 40 DFAB O=C(NCC1CC1)Nc1ccccc1I 40525530 BXUVGJADGSASGN-UHFFFAOYSA-N 316.142 2.823 0 40 DFAB COC(=O)N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1 265663 KEEVIPZIVFDYLB-OAHLLOKOSA-N 302.305 2.803 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)C2CCOCC2)C12CCCCC2 76022589 AQAKPEKGAZWOLL-HOTGVXAUSA-N 309.450 2.999 0 40 DFAB CC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 204034 VZFPBAVODODGBG-UHFFFAOYSA-N 321.380 2.545 0 40 DFAB COc1c(Cl)cc(NC(=O)[C@H](C)n2cncn2)cc1Cl 69453278 YCZDBGCWRBEYNM-ZETCQYMHSA-N 315.160 2.793 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)c2cn(Cc3cccs3)nn2)C1 76878051 JRUBGIWHMANSBC-VXGBXAGGSA-N 321.402 2.502 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)Cc2cccc(C)c2)cc1 78417828 JXAOVNZYUVRNTM-UHFFFAOYSA-N 310.397 2.855 0 40 DFAB Cc1cc(C)n(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 506134 ZTALAGWWFLHLPR-GFCCVEGCSA-N 317.776 2.847 0 40 DFAB Cc1cc(C)c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c(=O)[nH]1 87412678 YISKONGOFOTCMD-FOIQADDNSA-N 322.408 2.626 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 798788 WANHXZXHXGGADO-NSHDSACASA-N 318.354 2.884 0 40 DFAB C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@@H](C)O1 104301651 WBYDZFXCYAGPFY-RBSFLKMASA-N 310.438 2.687 0 40 DFAB COc1ccccc1/C=C1\NC(=S)N(c2ccccc2)C1=O 3065727 JSEQNNYGDRRNFM-KAMYIIQDSA-N 310.378 2.957 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)c(F)c1 104737338 GYHAIPMCXROQGY-ZDUSSCGKSA-N 305.374 2.752 0 40 DFAB O=C(CCc1cccnc1)Nc1cccc(C(=O)NC2CC2)c1 12542774 OCAVHDFZKNPSPX-UHFFFAOYSA-N 309.369 2.545 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1sccc1C 3259998 FDIRYFIEGVMNQV-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)nc1 56723318 XUQDZDPERRZEKM-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB C[C@@H](NC(=O)CN1C(=O)C(C)(C)c2ccccc21)c1ccncc1 57355604 PDZKYAWJGDDZMT-CYBMUJFWSA-N 323.396 2.583 0 40 DFAB S=C(NCCc1ccccc1)NNc1nc2ccccc2[nH]1 12659221 XIZHHZWXCKBQAV-UHFFFAOYSA-N 311.414 2.597 0 40 DFAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C(C)C)cc1 48299580 RFRFXRKJIBHING-UHFFFAOYSA-N 321.446 2.754 0 40 DFAB CC[C@@H](C)NC[C@H](O)COc1ccc(Br)cc1 26781646 ODEHXRGTXBEZPN-PWSUYJOCSA-N 302.212 2.577 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccsc1 44600610 FODZNWOAHMTRGM-UHFFFAOYSA-N 313.386 2.604 0 40 DFAB O=C1CCN(C(=O)CCCSc2nc3ccccc3[nH]2)CC1 3344746 YAFDTRNQIKPJGW-UHFFFAOYSA-N 317.414 2.627 0 40 DFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccc1)[C@H]2C(=O)O 100686547 GGGLJXMPHPRWIQ-DIECFANBSA-N 313.397 2.996 0 40 DFAB c1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)nc1 100756025 SNVFFAXHZCRTFL-CRAIPNDOSA-N 321.428 2.734 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(F)c(F)c1 12770844 VYUHKVJQSZTCHZ-UHFFFAOYSA-N 318.323 2.652 0 40 DFAB CCc1nc(COC(=O)CNC(=O)CCC2CCCC2)cs1 72313348 AYUOARNGIVRSJG-UHFFFAOYSA-N 324.446 2.835 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)OCCO3)o1 44949654 VLTGBRNWXPMZGT-GFCCVEGCSA-N 316.357 2.920 0 40 DFAB CC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)cc1 12761404 BBECWQMSBAZCGE-UHFFFAOYSA-N 315.394 2.914 0 40 DFAB COC(=O)c1ccc(F)cc1NC(=O)c1ccnc(Cl)c1 37991902 QCVVNKRLZWLILU-UHFFFAOYSA-N 308.696 2.913 0 40 DFAB CN1N=C(C(=O)N(Cc2ccccc2)c2ccccc2)CCC1=O 48333918 RAJWUCMLLRZGIL-UHFFFAOYSA-N 321.380 2.828 0 40 DFAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccncc2)cc1 48344175 OYUSKKHTLACHNT-CYBMUJFWSA-N 311.385 2.540 0 40 DFAB CCNC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 12822857 VBSZQSYJLDACGF-UHFFFAOYSA-N 309.369 2.971 0 40 DFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N(C)c1ccccc1)C2=O 29293400 XEVFRTDJXUBUIU-UHFFFAOYSA-N 322.364 2.644 0 40 DFAB Cc1c(NC(=O)[C@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C 12926380 HHCBSQVNLCHEDW-AWEZNQCLSA-N 311.385 2.779 0 40 DFAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)NCc1ccco1 12930920 RSVKFDRFDWGAIG-SNVBAGLBSA-N 305.355 2.775 0 40 DFAB O=C(CCc1ccccc1F)NCc1ccc(C(=O)O)cc1 13166461 OERYTRXRPXFOSV-UHFFFAOYSA-N 301.317 2.773 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)cn1C 69620978 DRUNDSRWHCZDRO-KGLIPLIRSA-N 309.841 2.767 0 40 DFAB COCCCNC(=O)Nc1ccc(C)c(OCC(F)F)c1 69779407 HXABJXASFDNUKP-UHFFFAOYSA-N 302.321 2.797 0 40 DFAB O=c1c(C(F)(F)F)cccn1Cc1noc(-c2ccoc2)n1 69742294 VJJWHMBQCJFPKP-UHFFFAOYSA-N 311.219 2.558 0 40 DFAB CN(Cc1ccco1)S(=O)(=O)c1ccc(F)c(Cl)c1 5120438 KDOXLSQZUHNPIC-UHFFFAOYSA-N 303.742 2.893 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)o1 65466191 QCSCUUHVYYYKAJ-UHFFFAOYSA-N 319.792 2.853 0 40 DFAB COc1ccc([C@@H](CC(=O)Nc2ccccc2)NC(C)=O)cc1 14077043 KGUMITVNYGBBSU-QGZVFWFLSA-N 312.369 2.901 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)c2sc3sccc3c2Cl)C1 65552802 YOLLOKXSDQXKQS-ZCFIWIBFSA-N 314.819 2.564 0 40 DFAB CC(C)c1nc2c3cnn(-c4ccccc4)c3nc(S)n2n1 20799502 IIFFCWMDPIJUSP-UHFFFAOYSA-N 310.386 2.875 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1 14260285 CTBQJBRSQJJMPH-CYBMUJFWSA-N 311.385 2.928 0 40 DFAB CC[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC 249090486 SQCNBGMDYNUIPO-MJBXVCDLSA-N 315.772 2.850 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344911 KPDFRFABODOISC-BPTDKIDVSA-N 316.184 2.775 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1C 7609955 KWUGZGARMCIIJV-CJNGLKHVSA-N 304.415 2.696 0 40 DFAB COc1ccc2nc(NC(=O)c3cnc(C)cn3)sc2c1 16021315 MQSKUMFEQBIGTC-UHFFFAOYSA-N 300.343 2.656 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2)CC1 20369096 MLMAWDGGYHPGQZ-UHFFFAOYSA-N 320.820 2.815 0 40 DFAB Cn1nccc1CN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 96013564 PVXJLWBIPHLWCI-HUUCEWRRSA-N 322.453 2.736 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccsc1 25332533 PWJUXFNRAKWGQX-OAHLLOKOSA-N 316.426 2.716 0 40 DFAB CCc1cc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)n(C)n1 96484494 XBNKUOBSGCYBLS-RISCZKNCSA-N 314.389 2.669 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c1 71884455 BTUVVQLMZAWKRI-AWEZNQCLSA-N 313.401 2.505 0 40 DFAB O=C(Cn1cc(-c2ccccc2)sc1=O)NC1CCCC1 71921887 OQICGCFTWZLMOU-UHFFFAOYSA-N 302.399 2.636 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)OC[C@H]2CC2(Cl)Cl)c1C 9868592 UDJXTZOIIYFQKL-MRVPVSSYSA-N 320.172 2.769 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NC(C)(C)C(=O)N(C)C)s2)o1 97081308 GYFHJJKDDHLATH-UHFFFAOYSA-N 320.414 2.913 0 40 DFAB C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2)CN1Cc1ccccc1 97033797 ZRJANHUGODAURH-KBXCAEBGSA-N 309.413 2.860 0 40 DFAB CCO[C@@H]1C[C@H](NCC(=O)NCc2ccccc2)C1(CC)CC 97034462 UWXKODBGGQHZJE-DLBZAZTESA-N 318.461 2.876 0 40 DFAB Cc1nccc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 97014425 SCQKDNDEVYGZRF-TZMCWYRMSA-N 320.437 2.915 0 40 DFAB CC(C)(C)CC(=O)N1CCC(Nc2ccc(C(N)=O)cc2)CC1 97080828 XNGFIRTYIQLZIU-UHFFFAOYSA-N 317.433 2.625 0 40 DFAB CSC[C@H](NC(=O)N[C@@](C)(CO)C1CC1)c1ccccc1 95966598 KCJXOEFLXQOKCI-HOCLYGCPSA-N 308.447 2.551 0 40 DFAB c1cc(CN(Cc2ccc(-n3ccnc3)nc2)C2CC2)ccn1 95977238 NUDVAOYRKRXROB-UHFFFAOYSA-N 305.385 2.827 0 40 DFAB CCO[C@@H]1C[C@@H](NC2CCN(C(=O)CC)CC2)C12CCCC2 89157845 UYDFENUBHRAVCZ-HZPDHXFCSA-N 308.466 2.715 0 40 DFAB COC(=O)c1cccc(CNC2(c3noc(C)n3)CCCC2)c1 75126497 STWDDEDUGYCHCK-UHFFFAOYSA-N 315.373 2.724 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21COCCN1 306145465 FYJZGVYKGWTNTN-KRWDZBQOSA-N 304.390 2.795 0 40 DFAB C[C@@H](O)C1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 127883233 BABOEJPTIYYPAT-MFKMUULPSA-N 322.371 2.910 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(C)c(Cl)c1 189962666 RLCKDTNTBCKXSL-ZDUSSCGKSA-N 324.808 2.614 0 40 DFAB CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccccc1 30589020 JJQAEHNSVFXLFQ-IBGZPJMESA-N 311.429 2.665 0 40 DFAB CCc1noc(C)c1C(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 72369795 YBVAQFDSBCPGOO-ZDUSSCGKSA-N 314.389 2.582 0 40 DFAB CO[C@@H](C)c1nc(CN(C)C(=O)Cc2cccc(O)c2)cs1 78245486 XVZJSGTYVLTGRP-NSHDSACASA-N 320.414 2.757 0 40 DFAB N[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218064119 WOMREOFYIYODBP-ILXRZTDVSA-N 307.802 2.607 0 40 DFAB COc1ccccc1C(=O)Nc1nnc([C@H]2CCCO2)s1 36357968 GBUKPZOSTHOKBF-LLVKDONJSA-N 305.359 2.651 0 40 DFAB CCc1ccc(CNC(=O)COC(=O)c2cccs2)cc1 72333789 KFERHGCQEPGJBB-UHFFFAOYSA-N 303.383 2.784 0 40 DFAB COC(=O)[C@H](N)Cc1c[nH]c2c(OCc3ccccc3)cccc12 44670726 PMPQMTDWLDFJLB-MRXNPFEDSA-N 324.380 2.790 0 40 DFAB O=C(CCCc1ccc(Cl)cc1)NCc1cccc(CO)n1 568218423 QVTSDZRJZHJGJY-UHFFFAOYSA-N 318.804 2.866 0 40 DFAB CC[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@@H]1CCCO1 190338004 OIQAJELUXZJOJV-KBXIAJHMSA-N 312.454 2.694 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1 225606238 XMMRDVWAEOSRGS-UEEZHKSASA-N 300.383 2.814 0 40 DFAB CCCNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 40563425 NCMGEQFTEUIBQZ-UHFFFAOYSA-N 303.753 2.584 0 40 DFAB NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222705027 VQLSUHWVGRMGIS-UHFFFAOYSA-N 318.373 2.797 0 40 DFAB COc1cccc2cc(C(=O)NC[C@](C)(O)c3ccco3)oc12 75156234 IAXIMDVKOKXIIY-KRWDZBQOSA-N 315.325 2.672 0 40 DFAB COc1ccc(C(=O)Nc2ccc(N)cc2OC)c(OC)c1 227147382 HGZFDACVYYBBNU-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccccc2)no1 49006308 BVHSFLUNOBXBTE-UHFFFAOYSA-N 316.320 2.950 0 40 DFAB Cc1nc(C)c(CC(=O)NCCOc2ccc(F)cc2)s1 44451262 PZYWXJJLHRANIB-UHFFFAOYSA-N 308.378 2.637 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CCc1ncccc1Cl)C(=O)O 199555877 KCQOHYLNTJBEAB-LLVKDONJSA-N 314.769 2.646 0 40 DFAB CC(C)(C)CCOC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 96442987 NROOSWXWFXSRIA-HNNXBMFYSA-N 318.417 2.913 0 40 DFAB O=C(NC[C@@H]1CC12CCN(Cc1nccs1)CC2)C1CCC1 96077332 HLNZJWMNAVHXOK-AWEZNQCLSA-N 319.474 2.662 0 40 DFAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cnccn1 96431112 BJVIYXRRZSLWKX-BPUTZDHNSA-N 305.422 2.809 0 40 DFAB Cc1sc(CS(C)(=O)=O)nc1-c1cc(F)ccc1F 96417552 VGIOJSSOUIFNMX-UHFFFAOYSA-N 303.355 2.941 0 40 DFAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccccc1 96405456 LSACDJJPIKPZDM-UONOGXRCSA-N 322.368 2.527 0 40 DFAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)C3CC=CC3)CC2)N1 96199631 MYXSECSLBTYBKS-KRWDZBQOSA-N 324.424 2.618 0 40 DFAB C[C@@](O)(CNC(=O)Cc1ccc(O)cc1)c1ccccc1Cl 97379003 KFHVZRLQAFSPMM-QGZVFWFLSA-N 319.788 2.612 0 40 DFAB C[C@H]1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)CC[C@H]1C 583726910 JIFRHZLQWGIRBW-RDBSUJKOSA-N 305.422 2.825 0 40 DFAB COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)cc(Cl)c1OC 91899224 QGXGUKNRGAGCGS-JSGCOSHPSA-N 313.825 2.950 0 40 DFAB Cc1cccc(CN2CCc3ccc(=O)n(CC4CC4)c3CC2)n1 96067764 PVSOLQJQSAXFKE-UHFFFAOYSA-N 323.440 2.563 0 40 DFAB COc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1 247880095 IXHQRAKIVMRCTJ-APWZRJJASA-N 322.408 2.790 0 40 DFAB Cc1cc(CNC(=O)Nc2ccc(Cn3cccn3)cc2)no1 69185984 HNKIDLPHLWCKDY-UHFFFAOYSA-N 311.345 2.550 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 257312529 UOJNNYBAJLIHIM-GFCCVEGCSA-N 313.405 2.619 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccc(-c3nc(C)cs3)nc2)C1 257232591 GLNVDADRQOFRKI-AWEZNQCLSA-N 301.415 2.924 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 257333173 YAMZAQTYBTWVAE-MRXNPFEDSA-N 314.389 2.686 0 40 DFAB Cc1cccc(-c2nc3sc(=Cc4ccccc4)c(=O)n3n2)c1 254443355 YWWAJMQXRFSQAA-UHFFFAOYSA-N 319.389 2.674 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2ccncn2)C1 257226549 FLCLJOPPGSHOLD-OAHLLOKOSA-N 313.376 2.955 0 40 DFAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 257339017 YZWHYBAKVWTSMY-IAGOWNOFSA-N 300.402 2.692 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C[C@H]2CC[C@@H](C)O2)cc1 252537509 LLMLSHYMLNQKDC-XYPHTWIQSA-N 318.417 2.666 0 40 DFAB Cc1n[nH]c(C(=O)N2CCC[C@H]2C(C)C)c1Br 49122729 NQJYNMQSUBNZIV-VIFPVBQESA-N 300.200 2.741 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccccc2OC(F)F)C[C@@H](C)O1 57265370 LDABIDJKKGSQAF-NXEZZACHSA-N 300.305 2.929 0 40 DFAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@]2(CC=CCC2)C1 71907717 ODQAGWQKGXZXBP-GOSISDBHSA-N 311.385 2.819 0 40 DFAB O=C(C1CC1)N1CCC(c2nnsc2-c2ccncc2)CC1 72395554 IUWXTEGAWBXYHD-UHFFFAOYSA-N 314.414 2.716 0 40 DFAB CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)NC(N)=O 5325522 UIBITDQUUKURBB-NSHDSACASA-N 323.443 2.874 0 40 DFAB CCOc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1 154504754 HIKQBOSUQHMLQG-UHFFFAOYSA-N 301.350 2.585 0 40 DFAB O=C(NC1CCC(O)CC1)c1cc(Cl)c(O)c(Cl)c1 6650109 UQNZECGMPGMPCJ-UHFFFAOYSA-N 304.173 2.732 0 40 DFAB O=C(N[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1)C1CC1 1888852995 KVSRMQJXJAYYMK-NSHDSACASA-N 314.216 2.883 0 40 DFAB Fc1ccccc1N1CCN(c2ncnc(C3CC3)c2F)CC1 1888853302 YALLYQNYDKZRHJ-UHFFFAOYSA-N 316.355 2.959 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](CF)C3)CC2=O)cc1 1888853716 XVUPPFFFFOSFSU-GJZGRUSLSA-N 318.392 2.556 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)nn1C 11027409 KVMGZWKLOBNIDE-UHFFFAOYSA-N 323.765 2.746 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)c3cc(F)ccc3O2)cc1 15085337 OAHBPUWPYQFQLU-INIZCTEOSA-N 315.300 2.807 0 40 DFAB COC(=O)Nc1nc(CC(=O)Nc2ccccc2C)cs1 12440364 LMRLKZPHLYOXIM-UHFFFAOYSA-N 305.359 2.811 0 40 DFAB C[C@@H](CNC(=O)Nc1nccs1)N1CCc2ccccc21 40096100 RAIDPKAGCIRFOQ-NSHDSACASA-N 302.403 2.716 0 40 DFAB COc1ccccc1CNC(=O)c1cnn(-c2ccccn2)c1C 40073485 CHUDBFKPEZZSOL-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB COc1ccc([C@@H](Nc2ncnc3c2cnn3C)C2CC2)cc1 30767838 IZENCOFIPNRUHS-HNNXBMFYSA-N 309.373 2.935 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478340 GFZRCSVINOIKPP-UHFFFAOYSA-N 324.315 2.567 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 116282 QDPSXBFQJIYEEQ-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB CC(=O)Nc1cc(C(=O)CSc2ccccn2)ccc1O 31682730 IQULKQLGSZHIDH-UHFFFAOYSA-N 302.355 2.721 0 40 DFAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40510451 GAZQXYGKQMXZSK-MRXNPFEDSA-N 324.428 2.911 0 40 DFAB COc1ccc([C@H]2C=C(c3cccnc3)Nc3ncnn32)cc1 101353376 VIDXSCDLIMJNED-MRXNPFEDSA-N 305.341 2.738 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1 20737991 GCWQPUFPPNRKCR-ZDUSSCGKSA-N 321.380 2.674 0 40 DFAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCCc1cccc(F)c1 32745061 GQIJRLSAXDCRAQ-INIZCTEOSA-N 313.328 2.786 0 40 DFAB CC(=O)N1CCCN(Cc2cc(Cl)cc3cccnc23)CC1 46503756 QGXRPBGDPATGGR-UHFFFAOYSA-N 317.820 2.942 0 40 DFAB CN(C)CCn1ccc2ccc(NC(=O)c3ccc(O)nc3)cc21 76091495 RYGCKDMGFMLJFY-UHFFFAOYSA-N 324.384 2.556 0 40 DFAB CN(C(=O)c1cc2cc(F)ccc2o1)C1CCS(=O)CC1 78986804 XDRIOLLULLYTHK-UHFFFAOYSA-N 309.362 2.555 0 40 DFAB Cc1cc(C)n(C(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)n1 2777980 MYASCBJKHOCYPF-JTQLQIEISA-N 300.284 2.925 0 40 DFAB C[C@H]1CCc2nc(NC(=S)NC[C@H]3CCCO3)sc2C1 2766740 SPDZCJPJFDWEDE-VHSXEESVSA-N 311.476 2.733 0 40 DFAB NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 560529 KERFBBGHOHCBEG-UHFFFAOYSA-N 306.391 2.621 0 40 DFAB CN(C(=O)COC(=O)c1c[nH]c2ccccc12)c1ccccc1 7507866 RPHSEKACUVHVKM-UHFFFAOYSA-N 308.337 2.988 0 40 DFAB COc1ccc(NCc2nc3n(n2)CCCCC3)c(OC)c1 28527858 LTYNRSZWSNFELC-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB COc1ccc(Nc2ncnc3[nH]ncc23)cc1OC(F)F 12582257 KFLSHKMSFJXYFA-UHFFFAOYSA-N 307.260 2.707 0 40 DFAB FC(F)(F)c1cc([C@H]2CCCN(C[C@H]3CCOC3)C2)n[nH]1 107143080 LUEVLPFBXRFDMK-MNOVXSKESA-N 303.328 2.644 0 40 DFAB C[C@@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)NC(N)=O 56207726 NYPGVXTVASKOOW-SNVBAGLBSA-N 317.320 2.613 0 40 DFAB COC(=O)c1ccccc1NCC(=O)N1c2ccccc2C[C@@H]1C 12537038 FJFJTLHSWZNXQI-ZDUSSCGKSA-N 324.380 2.863 0 40 DFAB C[C@@H]1CCCN(c2ncccn2)[C@H]1CNC(=O)OC(C)(C)C 108360066 MTCFMNAHJXTOAL-OLZOCXBDSA-N 306.410 2.606 0 40 DFAB CC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 1980227 MBTUGMQORLSAOD-UHFFFAOYSA-N 302.330 2.853 0 40 DFAB CO[C@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccccc1 58223875 ULMOLPXBOVSGJB-KRWDZBQOSA-N 322.368 2.653 0 40 DFAB O=C(c1cc(F)ccc1F)C1CCN(c2ncccn2)CC1 58227673 CZWMMDFQSRBSOB-UHFFFAOYSA-N 303.312 2.854 0 40 DFAB COCCOc1ccc(CNc2ncnc3sccc23)cn1 44976365 FKZOEDHKEVLVHF-UHFFFAOYSA-N 316.386 2.724 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)c2ccc(F)cc2F)no1 44948290 ULOSVMSMGUIYFO-UHFFFAOYSA-N 316.329 2.619 0 40 DFAB Cn1ccnc1CN(C(=O)Cc1cn(C)c2ccccc12)C1CC1 58328881 CNNSNQAMFJAYDC-UHFFFAOYSA-N 322.412 2.646 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCCC3)C2)c(C)c1 58365095 FKGPSESATNMOSH-IRXDYDNUSA-N 315.461 2.801 0 40 DFAB O=C(c1ccccc1F)n1c(S)nc2ccccc2c1=O 103650444 NVVMYGGGOUIUIQ-UHFFFAOYSA-N 300.314 2.513 0 40 DFAB O=S(=O)(Cc1ccccc1)N[C@@H]1CCOc2ccccc21 25766876 XXLWTOPOUYOJPK-OAHLLOKOSA-N 303.383 2.630 0 40 DFAB O=C(CC(c1ccccc1)c1ccccc1)Nn1cnnc1S 28814519 VPQPSJXMDYOALX-UHFFFAOYSA-N 324.409 2.859 0 40 DFAB NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 3316866 PDJUVXBUMWUATI-YHYXMXQVSA-N 317.197 2.988 0 40 DFAB Cc1cc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)no1 46295905 SHNBGDJMOVAZKW-UHFFFAOYSA-N 316.357 2.505 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 48310244 VABABHSKSYHVSG-LLVKDONJSA-N 318.339 2.952 0 40 DFAB COC(=O)CCCCCOc1ccc(O[C@@H](C)C(=O)OC)cc1 114635784 OTMTWGFFXAPNHI-ZDUSSCGKSA-N 324.373 2.739 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CCCc2ccccc21 12864582 OXBXEGBPOZLDOT-AWEZNQCLSA-N 320.414 2.690 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1Cl 3459191 MCLZJRFQOHGTIR-UHFFFAOYSA-N 319.748 2.711 0 40 DFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccs1 3431904 FPJVLEGPEPNPIR-SNVBAGLBSA-N 322.817 2.836 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1 12939530 LNJLXBKHRJOSQB-UHFFFAOYSA-N 303.383 2.661 0 40 DFAB CC(C)CN(CC(C)C)CN1C(=O)NC2(CCCCC2)C1=O 13061594 XJGFNVMPYSOMCL-UHFFFAOYSA-N 309.454 2.813 0 40 DFAB CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 92757669 SSGIXQYCMTUSTI-JGGQBBKZSA-N 323.820 2.797 0 40 DFAB Cc1ccc([C@H](C)NS(=O)(=O)c2cc(F)ccc2F)o1 39972306 TWYBYYGKFLENDX-VIFPVBQESA-N 301.314 2.906 0 40 DFAB CN(C)[C@@H](CNC(=O)Nc1ccccn1)c1c(F)cccc1F 71909157 LVACRASJKSVXIV-ZDUSSCGKSA-N 320.343 2.784 0 40 DFAB CC1=NN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@@](O)(C(F)(F)F)C1 6394928 VRQAYXGVHSXXGN-BZPMIXESSA-N 312.291 2.649 0 40 DFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 5360683 JECXJYAEPUZKRG-LLVKDONJSA-N 324.336 3.000 0 40 DFAB COc1ccc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2c1 5365874 TWAOZLLXULESSI-KRWDZBQOSA-N 315.369 2.522 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H](n2cccn2)C1 65608561 ZGEQFWJMTZYFGX-GDBMZVCRSA-N 313.426 2.764 0 40 DFAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)c(F)c1 14420213 QJPUKAMMADIYDG-SECBINFHSA-N 319.311 2.946 0 40 DFAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)NC1CCCC1 6647607 LMHZCVXJKMVFOX-SNVBAGLBSA-N 318.398 2.900 0 40 DFAB CCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6751919 ZOIFNNFNVGRQMV-UHFFFAOYSA-N 313.401 2.653 0 40 DFAB CN(C(=O)COC(=O)c1n[nH]c2ccccc12)C1CCCCC1 4825301 UUKKNRUIJZHJSS-UHFFFAOYSA-N 315.373 2.511 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccn2C)cc1 4906506 QQKXCMDCBRBZTB-LLVKDONJSA-N 303.387 2.742 0 40 DFAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CCCO3)c2cc1C 7034016 FMFUHCOYNSXTML-CQSZACIVSA-N 302.326 2.632 0 40 DFAB Cc1cc(C)c(/C=C/C(=O)N(C)CC(=O)N2CCCC2)cc1C 80040984 KDUJQKWUGUQAFN-BQYQJAHWSA-N 314.429 2.706 0 40 DFAB CCC(CC)[C@@H](O)CNC(=O)CCc1ccc(O)c(Cl)c1 96014194 XTFSODXMPOCDSK-HNNXBMFYSA-N 313.825 2.892 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)Cc1ccon1 80276375 WHUWXSLOPMXXKY-BONVTDFDSA-N 324.377 2.557 0 40 DFAB Cc1ocnc1CNS(=O)(=O)c1ccc(CC(C)C)cc1 90446749 LUYUTQZPYROBNH-UHFFFAOYSA-N 308.403 2.660 0 40 DFAB CCOc1c(Cl)cc(/C=C2\SC(=N)NC2=O)cc1OC 408883147 RRJXZCCSNXYIPR-POHAHGRESA-N 312.778 2.886 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 93808826 ZAFGAGQHLCTQJM-CYBMUJFWSA-N 315.442 2.898 0 40 DFAB CC(C)(C)c1cc(-c2nnc(S)n2-c2cccnc2)[nH]n1 9421217 VXOIVHMXMVSVOA-UHFFFAOYSA-N 300.391 2.639 0 40 DFAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cccnc2)C1 69486014 YUGHMPDNYKCNDR-MRXNPFEDSA-N 314.364 2.617 0 40 DFAB C[C@@H]1C[C@@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)O1 69706441 DMNXRTQQYSFQNK-RFAUZJTJSA-N 304.777 2.883 0 40 DFAB Cn1cc([C@@]2(C)CN(C/C=C/c3ccc(F)cc3)CCO2)cn1 92016915 ALYOQPSQEQSGTN-OAJJDEHYSA-N 315.392 2.820 0 40 DFAB Cc1cc(CN2CCN(C(=O)C[C@@H]3CCC[C@@H](C)C3)CC2)on1 69922501 ZXIANRSKUWEAAX-GDBMZVCRSA-N 319.449 2.844 0 40 DFAB O[C@H](CNCc1cccc2c1OCO2)c1ccc(F)c(F)c1 71819545 CPQRBUPFJUIQGN-CQSZACIVSA-N 307.296 2.517 0 40 DFAB Cc1nc(CN2CCC[C@@H]2Cn2cccn2)nc2ccccc12 71875631 GECMHNDOVZMRMO-OAHLLOKOSA-N 307.401 2.799 0 40 DFAB O=C(CCc1ccco1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 71883043 AKZKKSIVRXLJDP-CYBMUJFWSA-N 320.339 2.886 0 40 DFAB C[C@H](NC(C)(C)CCS(C)(=O)=O)c1cc(F)c(F)c(F)c1 97037833 CABWGIIDPFDYEK-VIFPVBQESA-N 323.380 2.968 0 40 DFAB CCN(CC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)C1CC1 97233754 RCGTXIFPXWULKX-INIZCTEOSA-N 318.465 2.955 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)c1cocn1 97372670 HFEOKSLSCABCCL-UHFFFAOYSA-N 309.119 2.892 0 40 DFAB Nc1ccnc(CNC(=O)c2sccc2-c2ccccc2)n1 84562922 VLNCRRCOGMPJPF-UHFFFAOYSA-N 310.382 2.717 0 40 DFAB O=C(NCC1(Cc2ccccc2)CCC1)N[C@@H]1C=C[C@H](CO)C1 84525701 NFFIQZKENOORMM-DLBZAZTESA-N 314.429 2.636 0 40 DFAB C[C@@H](OC(=O)c1ccccc1-n1cccn1)C1CCOCC1 95450046 WZSKNRKPDIMKTJ-CYBMUJFWSA-N 300.358 2.844 0 40 DFAB CN(CCc1ccccn1)C(=O)c1[nH]nc(C2CC2)c1Cl 88587507 VDBMTVJQYUYVTP-UHFFFAOYSA-N 304.781 2.650 0 40 DFAB O=C(Nc1cccnn1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 95989109 ZSQPXUJHQBWGAG-LBPRGKRZSA-N 317.780 2.530 0 40 DFAB CCS(=O)(=O)c1ccc(CNC(=O)CC2CCCC2)cc1 95991253 UQBQXSBEJBEPEA-UHFFFAOYSA-N 309.431 2.677 0 40 DFAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H](Cn2cncn2)C1 95995005 DQWVDWGMBJDHOJ-NSHDSACASA-N 321.331 2.500 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](NC(=O)N[C@@](C)(CO)C1CC1)CCO2 95966577 AIMRURPTVKTLPW-QAPCUYQASA-N 318.417 2.587 0 40 DFAB O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ncccn2)C1 95973775 WIJRBRXWNSMJLW-CHWSQXEVSA-N 309.291 2.808 0 40 DFAB C[C@H]1CCCCCN1C(=O)COCC(=O)N1CCCCC[C@H]1C 74657716 JAVSTELFGLNGSW-IYBDPMFKSA-N 324.465 2.585 0 40 DFAB CCCCCOC1CN(S(=O)(=O)c2ccc(F)cc2C)C1 75093727 QZRVCKPRFDINIZ-UHFFFAOYSA-N 315.410 2.714 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 75130056 NQAAFKQDBLFQCP-CQSZACIVSA-N 316.405 2.873 0 40 DFAB COc1cccc(NC(=O)NCCNc2cccc(C)n2)c1 75139382 XTCYLFKYQWEEMJ-UHFFFAOYSA-N 300.362 2.632 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1 75119316 FQAWIFKAFJMSFY-VHSXEESVSA-N 302.296 2.534 0 40 DFAB O=C(NCC1(c2ccccc2F)CC1)N1CC[C@]2(CCOC2)C1 89813362 ZEYOIXNPGJBPOO-KRWDZBQOSA-N 318.392 2.679 0 40 DFAB C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2ccccc2)CO1 89930153 XYRTWGZTCYRCJJ-BLLLJJGKSA-N 311.385 2.501 0 40 DFAB COc1ccc(C)cc1NCC(=O)Nc1ccnn1C(C)C 75572107 WNQWUFFZXRDNFU-UHFFFAOYSA-N 302.378 2.832 0 40 DFAB COCCN1CCCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 75582420 KRIGCHWGZAYQEC-OAHLLOKOSA-N 322.424 2.500 0 40 DFAB Cc1ccc(F)c(N2CCC(NC(=O)C3(O)CCCC3)CC2)c1 119976600 ZFKQVQIBOSAURZ-UHFFFAOYSA-N 320.408 2.524 0 40 DFAB COc1ccc(NC(=O)COc2cccc(C)c2C)c(N)c1 20344428 NKRFBZCOMKCQLV-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cc1ccc(-c2[nH]nc(NC(=O)CN3CC(C)(C)C3)c2C)o1 553531914 FQLVZBVBVJGVJA-UHFFFAOYSA-N 302.378 2.567 0 40 DFAB Cc1cnccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 79001673 VTZPNLLKESNWSF-LSDHHAIUSA-N 315.417 2.757 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1C 72239095 YZFAMJNTAXHFQM-UHFFFAOYSA-N 307.419 2.937 0 40 DFAB CCOC(=O)c1cnn(Cc2cccc(Br)c2)c1 39320132 JEQDHFBTYMYEBQ-UHFFFAOYSA-N 309.163 2.871 0 40 DFAB COc1ccc(CCC(=O)NN(C)c2ccccc2)c(OC)c1 1509217 RUCXOXZSHLZCNX-UHFFFAOYSA-N 314.385 2.804 0 40 DFAB biogenic CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1COC 409146351 SELCGXYBRGZMCU-UHFFFAOYSA-N 311.341 2.719 0 40 DFAB c1ccc(OCc2nnc3n2N[C@H](c2ccco2)S3)cc1 3843188 YDQZQTMBBQXXNE-ZDUSSCGKSA-N 300.343 2.798 0 40 DFAB biogenic Cc1cc(NC(=O)[C@H](C)SCc2nc(C(C)(C)C)no2)on1 78555749 AAYXSKMCNUFTFN-VIFPVBQESA-N 324.406 2.924 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1 551238672 AMSABUYTPOGXHW-HNNXBMFYSA-N 317.366 2.521 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 72360173 CMYTYQCNQRGBGS-LBPRGKRZSA-N 303.391 2.669 0 40 DFAB COc1ccc(NC(=O)c2ccc(Nc3ncccn3)cc2)cn1 79481753 FHJMQEUEIPKUNV-UHFFFAOYSA-N 321.340 2.876 0 40 DFAB O=C(c1ccc(Oc2nccs2)cc1)N1Cc2cncnc2C1 225636626 NVYYRSJQMHPUPJ-UHFFFAOYSA-N 324.365 2.881 0 40 DFAB O=S(=O)(CCc1ccccc1)N[C@H]1CCc2ccccc21 48009927 SRAJEDWWDBJYFZ-KRWDZBQOSA-N 301.411 2.836 0 40 DFAB COc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2ccccc21 225719652 QGALKDDIMZBDOJ-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB CC[C@H](N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1)c1cnn(C)c1 195540853 JDJIUEAZCARCBV-KBMXLJTQSA-N 306.454 2.544 0 40 DFAB COC(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1 225311028 IJZHQEALAQWXNX-UHFFFAOYSA-N 304.371 2.726 0 40 DFAB c1ccc([C@@H](CN[C@H]2CCCSC2)N2CCOCC2)cc1 195558456 HTJJAJAZHVOTIQ-DLBZAZTESA-N 306.475 2.545 0 40 DFAB CCc1ncc(CN(CC(=O)O)C(=O)c2cscc2C)s1 195555612 XQLSIWJXCBOJOS-UHFFFAOYSA-N 324.427 2.802 0 40 DFAB O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1COc2ccccc21 96437361 UIIQAHLRRUYEHR-ZFWWWQNUSA-N 317.772 2.666 0 40 DFAB CCN1CC[C@H]2OCCC[C@]2(COCc2cccc(C)n2)C1 96040160 UPWTYKSDFTWTMY-QZTJIDSGSA-N 304.434 2.798 0 40 DFAB Cc1nnc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)s1 96491035 POBCWGOQQOACFF-VIFPVBQESA-N 302.403 2.582 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@H]12 96058422 HFHZFOCWFVKYHD-VQTJNVASSA-N 307.441 2.929 0 40 DFAB CCO[C@@H](C)c1noc(CNC(=O)Nc2ccc(F)cc2)n1 96433623 FTEATSSKODVKGQ-VIFPVBQESA-N 308.313 2.628 0 40 DFAB Cc1nn(C)c2sc(C(=O)OC3([C@H]4CCOC4)CC3)cc12 96442327 ZXPKTRCNVNJGKN-JTQLQIEISA-N 306.387 2.669 0 40 DFAB CCCS(=O)(=O)N[C@@H](CC1CCOCC1)c1ccccc1 96500604 ASWUCALQWCECDP-INIZCTEOSA-N 311.447 2.874 0 40 DFAB COc1cc(C)sc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 96431626 YYCKEAVIIJBBOE-UHFFFAOYSA-N 321.402 2.935 0 40 DFAB Cc1nc(C)n(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 97082316 VIRDKYXKNXHHJP-UHFFFAOYSA-N 323.187 2.831 0 40 DFAB O[C@@H](COc1cc(Cl)cc(Cl)c1)COC1CCOCC1 97229806 TYZFLRSZZNJNKC-GFCCVEGCSA-N 321.200 2.929 0 40 DFAB O=C(c1ccco1)N1CCc2c(COCC3CC3)cncc2C1 96189402 GECWDMKWQHLFFE-UHFFFAOYSA-N 312.369 2.800 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H]1CCOc2ccccc21 97372431 LXGBGNBQANCOQE-SMDDNHRTSA-N 313.401 2.813 0 40 DFAB C[C@H](CC(=O)N[C@H]1C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C 245289577 CTTDYOACYUWLGC-SNPRPXQTSA-N 318.417 2.962 0 40 DFAB Cc1nc(Cl)cc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1 257328428 XFPGANOYDDMHPY-NSHDSACASA-N 313.785 2.747 0 40 DFAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257218870 DERAMZMTNYTBDH-SCOAYWHSSA-N 308.385 2.744 0 40 DFAB O=C(O)CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 357432013 DCHXZVSZUZHKGO-DRZSPHRISA-N 321.323 2.590 0 40 DFAB Cn1nc(CNC(=O)c2cc(-c3ccccc3)on2)cc1C1CC1 96099322 UXXRRFWOTLFHNW-UHFFFAOYSA-N 322.368 2.883 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2nc(C)cs2)c(Cl)c1 43273131 MGUSAGRBPRMSQN-UHFFFAOYSA-N 316.835 2.892 0 40 DFAB Cc1ccccc1N(CC(=O)N1CCCCC1)C(=O)[C@H](C)Cl 60021355 IHHRLVLPTRPSDI-AWEZNQCLSA-N 322.836 2.968 0 40 DFAB Cc1c(C(=O)NCCCCC(=O)O)oc2c1C(=O)CC(C)(C)C2 89568168 DCFXCHOBRFUGSM-UHFFFAOYSA-N 321.373 2.728 0 40 DFAB Cc1nc(C)n(CCOc2cc(F)cc(Br)c2)n1 188185544 HSOFDTUZPRDDTA-UHFFFAOYSA-N 314.158 2.876 0 40 DFAB CCCCS(=O)(=O)Nc1cnn(Cc2ccc(C)cc2)c1 14230318 BPDVGAWFJNZVOP-UHFFFAOYSA-N 307.419 2.782 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19399686 VXRDWIOBZRCJIK-OAHLLOKOSA-N 306.369 2.978 0 40 DFAB CC[C@](NC(=O)c1cscn1)(C(=O)O)c1ccc(Cl)cc1 507314445 AGTXMNGHNSKSDY-CQSZACIVSA-N 324.789 2.916 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CC(=O)O)CO2)CC1 585164739 NETRLWKXKHITAM-LBPRGKRZSA-N 313.394 2.657 0 40 DFAB CCc1cc(C(=O)OCC(=O)Nc2cc(C)on2)sc1C 5788893 UYUTUTOLXDSHQZ-UHFFFAOYSA-N 308.359 2.711 0 40 DFAB OC[C@@H]1CCCN(C(=S)Nc2ccc(OC(F)F)cc2)C1 8692212 GCRVIOLBXQNQMD-SNVBAGLBSA-N 316.373 2.689 0 40 DFAB Fc1c(C2CC2)nc[nH]c1=NCc1ccnc(N2CCCC2)c1 1888843651 NEKVSJRZPSTQAY-UHFFFAOYSA-N 313.380 2.522 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(Cl)s1)C(C)C 32038117 XIUKMYPVTDVPSM-PRHODGIISA-N 302.827 2.739 0 40 DFAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](C)c2ccccc2)C1 40506344 WUKPEPKMNVGWSC-RDJZCZTQSA-N 316.445 2.801 0 40 DFAB O=C(c1ccccc1SC(F)F)N1CCC[C@H](CO)C1 35217468 RJGVARSHYRFPHU-JTQLQIEISA-N 301.358 2.846 0 40 DFAB COc1cc(OC)c(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1OC 15079926 WSIQRYUXFHSGRV-AGIUHOORSA-N 317.385 2.654 0 40 DFAB CCN(CC)[C@@H](CNC(=O)Nc1nncs1)c1ccccc1 40525256 GIYCHXLHLOCVHO-ZDUSSCGKSA-N 319.434 2.743 0 40 DFAB O=Cc1ccc(S(=O)(=O)c2ccc(Br)cc2)o1 32593850 KEQFDMZBERRYLR-UHFFFAOYSA-N 315.144 2.687 0 40 DFAB Nc1ccccc1S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 97326 JKLZATZVWZRYQB-AWEZNQCLSA-N 316.357 2.832 0 40 DFAB Cc1cnc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)s1 11987268 ARIRYWILRHYMBU-SNVBAGLBSA-N 303.387 2.599 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2ccccc2OC)cc1 2620267 NKOGQIUTSZQVGS-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CC(C)n1cnc2cc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)ccc21 78896519 DSECYYRIIGTQTE-DYVFJYSZSA-N 314.433 2.639 0 40 DFAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCNC(=O)C3)cc2)cs1 79107634 JENRMTUKHAHBMT-LBPRGKRZSA-N 315.398 2.583 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCCSCC1 79423393 RVKFVVIYQCHSJV-ZIAGYGMSSA-N 300.468 2.730 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc[nH]1 79447209 UUHGKZIDXGECAM-QGZVFWFLSA-N 321.380 2.805 0 40 DFAB COc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1OC 4479354 RAZSEYBKQRNGPH-UHFFFAOYSA-N 304.371 2.901 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1C 4965853 BSSGUAMDCYLYKJ-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB Cc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1 4968027 HIOUKWJAFCGWKX-UHFFFAOYSA-N 317.418 2.827 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 84235337 WDEZXOLPVRVVLC-MNEFBYGVSA-N 323.440 2.923 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 6315083 WPEJAOGJSBXCAX-UHFFFAOYSA-N 309.362 2.703 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(O)cc3)CC2=O)cc1 53490847 FSGCYZWRCRUXEG-AWEZNQCLSA-N 324.380 2.946 0 40 DFAB Clc1ccc2nc(CSC3=NN4C=CC=C[C@H]4N3)cn2c1 28465731 RUOAROAYXFBWRH-ZDUSSCGKSA-N 317.805 2.807 0 40 DFAB COC(=O)c1coc(C(=O)N(C)c2nc3ccccc3s2)c1 97115330 BQYMFWDWNOYYAO-UHFFFAOYSA-N 316.338 2.953 0 40 DFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 106524476 ZIWUSUAHLGHDBB-AIEDFZFUSA-N 302.484 2.623 0 40 DFAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cnccn1 56348476 MNUJDHHEECRWSD-CYBMUJFWSA-N 313.357 2.677 0 40 DFAB CC[C@@H](CO)NC(=O)Nc1cccc(C)c1Br 97162608 MYFRECCQZUJJLQ-VIFPVBQESA-N 301.184 2.650 0 40 DFAB CC[C@]1(C)C[C@@](O)(CCNCc2ccc(OC)cc2)CCO1 1831741 XIYRZHDDGQJIMA-QZTJIDSGSA-N 307.434 2.885 0 40 DFAB biogenic CN(C)C(=O)c1ccc(NC(=O)c2cc(Cl)cn2C)cc1 27225838 RRMKQNBBNFMWPK-UHFFFAOYSA-N 305.765 2.633 0 40 DFAB COc1ccc(CC(=O)NCc2ccccc2-n2ccnc2)cc1 20453538 CIWPCWANZUJUTH-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 58224486 RNCQVCSUSBSJKP-INIZCTEOSA-N 316.401 2.815 0 40 DFAB COc1ccc(C(=O)NC[C@H](C)N(C)c2ccccc2)c(O)c1 58378168 PCUAJUPUWZJNAJ-ZDUSSCGKSA-N 314.385 2.656 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H]1CCOc2ccccc21 27996268 WVUGCMRCYZZCJL-NSHDSACASA-N 303.387 2.747 0 40 DFAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@H]1C2 108924786 NLVUYHIOWJDERC-NOOOWODRSA-N 315.339 2.843 0 40 DFAB O=C(OC/C=C/c1ccccc1)[C@@H]1CCCN(c2ncccn2)C1 28125132 GPPXDAMMQDDUHB-HFTQHKIXSA-N 323.396 2.950 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ncccn3)CC2)c1 48290673 VLPBBSTXERAZDF-UHFFFAOYSA-N 324.428 2.973 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(C=O)cc1 3371892 UTBHHCKQZMUUGC-CYBMUJFWSA-N 323.348 2.634 0 40 DFAB CCCn1c(=O)n(Cc2ccc(C(=O)OC)o2)c2ccccc21 29467224 NJCRPJOLCDOOAL-UHFFFAOYSA-N 314.341 2.641 0 40 DFAB CCn1c(SCc2nnc(C)o2)nnc1-c1ccoc1C 12745495 WSGOVHDYFBBOAV-UHFFFAOYSA-N 305.363 2.850 0 40 DFAB C[C@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1 12786472 QIUKJQRFIKDPAQ-ZDUSSCGKSA-N 300.427 2.984 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 3425629 ITPZFRDYTRGLRM-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 69855659 KWZOCAHCKMFLCI-QMMMGPOBSA-N 321.450 2.928 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccccc1C(=O)O 13411116 SJZRPQFKJDTUDA-CYBMUJFWSA-N 313.353 2.949 0 40 DFAB Cc1nn(C)c(Cl)c1COC(=O)c1n[nH]c2ccccc12 65553558 CXRBCDYOGQOZBB-UHFFFAOYSA-N 304.737 2.615 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c1 6486640 UXTNQESXXDGBND-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cn1cnnc1-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 4526184 PAVVVDZHZZLRIB-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB NC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 6759611 UDTKCDYJIRZZAO-MNOVXSKESA-N 310.279 2.642 0 40 DFAB Cc1cc2oc(=O)sc2cc1NS(=O)(=O)c1ccccc1 4914132 BDICITVHQSUNSO-UHFFFAOYSA-N 321.379 2.964 0 40 DFAB Cc1cc(C)c(CNC(=O)c2oc3ccccc3c2C)c(=O)[nH]1 7118231 LXDQBUVSPXPCHX-UHFFFAOYSA-N 310.353 2.976 0 40 DFAB Cn1cc(C(C)(C)NC(=O)[C@@H]2SCCc3ccccc32)cn1 80476285 ODLIRYBYXLRAIP-OAHLLOKOSA-N 315.442 2.802 0 40 DFAB CN(C)Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 67981435 DRFRNUBGIJOVGE-UHFFFAOYSA-N 302.403 2.729 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)cc1C 8168101 KLQXTGZAVMRWDE-MRXNPFEDSA-N 324.424 2.953 0 40 DFAB CCCc1nc(C)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)s1 81701254 HIVKYNJIZOCQDU-HIFRSBDPSA-N 316.426 2.792 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nnsc2Cl)n1 70006987 JJIJHRJODVZJKD-LLVKDONJSA-N 311.842 2.669 0 40 DFAB O=C(NCC(=O)N1CC2(CCCC2)c2ccccc21)c1ccoc1 81811591 JTFNTMSNJOXQKF-UHFFFAOYSA-N 324.380 2.868 0 40 DFAB Cn1cc(-c2nc(CN3CCOc4ccccc43)cs2)cn1 69350471 UTUXXNWVXBPJHX-UHFFFAOYSA-N 312.398 2.943 0 40 DFAB CCOc1ccccc1[C@@H](CC(=O)N1CCCCC1)NC(C)=O 69420228 DANZOLAUWKXWOQ-MRXNPFEDSA-N 318.417 2.665 0 40 DFAB CCCN(C[C@H]1CCCCO1)C(=O)c1noc2c1CCCC2 71883001 VXRAESKXEHSSED-CYBMUJFWSA-N 306.406 2.975 0 40 DFAB CCO[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)c1ccccc1 71866675 HOWSQDDIAYHVKT-DLBZAZTESA-N 313.401 2.652 0 40 DFAB O=C(c1ccco1)N1CCN(c2ccnc3ccccc23)CC1 71893853 XZFNVADPEHLVMH-UHFFFAOYSA-N 307.353 2.790 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccncc1 71913573 QNCIBEWIZSWZCA-UHFFFAOYSA-N 318.465 2.735 0 40 DFAB O[C@H](CN[C@@H]1CCCSC1)c1cccc(OC(F)F)c1 97084659 RIBWTQSDUCMVEU-DGCLKSJQSA-N 303.374 2.807 0 40 DFAB CN(C)S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 97084104 JURIFCFGTVUWQE-WTNCMQEWSA-N 314.476 2.812 0 40 DFAB Cc1cccc(S(=O)(=O)NCc2cccc(N)c2)c1Cl 97094619 SMVNSOVELMTRPZ-UHFFFAOYSA-N 310.806 2.709 0 40 DFAB CCCS(=O)(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97054646 OIWPSUFTHRTGCL-JTQLQIEISA-N 317.279 2.898 0 40 DFAB Cc1ccc(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)o1 97018163 LXANKLYBGGEQGW-QGZVFWFLSA-N 313.353 2.731 0 40 DFAB C[C@@H]1CC(C)(C)CC[C@@H]1NCCn1c(=O)oc2cccnc21 97099793 ZSUCNBOEPOQSES-OLZOCXBDSA-N 303.406 2.794 0 40 DFAB O=C(O)c1cccc(CCNC(=O)c2cccc3cc[nH]c23)c1 97002851 UALWBFPQKRWJGD-UHFFFAOYSA-N 308.337 2.839 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 72298720 NDBGRLAOZSVUNI-LBPRGKRZSA-N 317.414 2.875 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1csc(C(C)C)n1)C2 72282650 FELRIBOZWBSBSE-LLVKDONJSA-N 304.419 2.516 0 40 DFAB COCc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1F 72291628 OAKCQIINAITMPU-CYBMUJFWSA-N 317.364 2.715 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@H]1CNc2cc(C)nn2C1 72273339 GQNNCHGAGRUBMO-CABCVRRESA-N 314.433 2.901 0 40 DFAB CC(C)N1CC[C@@H](Nc2ccc(OC[C@H]3CCOC3)cc2)C1=O 95406485 VQTQWMRXTSWPSV-WMLDXEAASA-N 318.417 2.523 0 40 DFAB CC[C@@H](C(=O)Nc1ccc(Oc2cccnc2)nc1)N(C)C 95446563 AEMUTVPPKIOTNZ-AWEZNQCLSA-N 300.362 2.548 0 40 DFAB CCOC(=O)C[C@H](OC(=O)c1cccc(COC)c1)C1CC1 95450069 WHWFUSMMUBXGLH-HNNXBMFYSA-N 306.358 2.722 0 40 DFAB CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1c[nH]c2ccccc12 95427031 PLNSNPQJCHXZRR-IRXDYDNUSA-N 320.458 2.656 0 40 DFAB c1sc([C@H]2CCCO2)nc1CSCCN1CCOCC1 95977043 DJMGVZFTQALMOQ-CYBMUJFWSA-N 314.476 2.560 0 40 DFAB O=C(C[C@H]1COCCN1C(=O)c1ccsc1)c1ccccc1 95965344 BIDPKOWSYSQFTB-HNNXBMFYSA-N 315.394 2.862 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ccc(Cl)nc1 75267371 BBHDNUQEJWYISB-MRVPVSSYSA-N 317.197 2.913 0 40 DFAB Cc1ccc(NC(=O)NCCC(=O)Nc2ccncc2)s1 75413420 YYECJCVIDFEBLO-UHFFFAOYSA-N 304.375 2.602 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)NCCC(=O)N1CCCCCC1 89941879 FCBKEQPEYSSEOX-MRXNPFEDSA-N 324.465 2.633 0 40 DFAB C[C@H](NC[C@H](O)c1ccco1)c1ccc(N2CCCC2=O)cc1 89904796 QFOLWMRURLBCKM-BBRMVZONSA-N 314.385 2.791 0 40 DFAB O=c1[nH]c(O)nc(/C=C/C=C/c2ccccc2Cl)c1[N+](=O)[O-] 33599663 FNMIBVHXPKLCAS-JHMJBTLWSA-N 319.704 2.764 0 40 DFAB CN(C)CC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306140586 UXXIVSQCVSSPDK-INIZCTEOSA-N 323.444 2.873 0 40 DFAB CC(C)(C)c1ccc(OC[C@H](O)CN[C@H]2CC[C@H](O)CC2)cc1 517557023 ZQSOTXVAXKKDGU-BRWVUGGUSA-N 321.461 2.617 0 40 DFAB Cc1nccnc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1527492153 YOBBBSNWXWMBNY-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB O=C(Cc1noc(-c2ccncc2)n1)Nc1ccccc1Cl 35316266 DYSUWPWVTPEUAK-UHFFFAOYSA-N 314.732 2.966 0 40 DFAB CCCC[C@H](CC)CNC(=O)c1ccccc1-n1nnnc1C 72406502 PSXJEJOAENXVCN-AWEZNQCLSA-N 315.421 2.917 0 40 DFAB CCN1CCN(c2ccc([C@H](N)c3ccccc3)c(C)n2)CC1 72224682 BWFUMHYEIBPBJQ-LJQANCHMSA-N 310.445 2.580 0 40 DFAB CC1(C)C[C@H](NC(=O)CCCCCNc2ncccn2)CCO1 79191692 OOTQSCKXHOHVJI-CQSZACIVSA-N 320.437 2.523 0 40 DFAB biogenic CCN(CCN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391811 YSOSCHBSMBUYLH-IRXDYDNUSA-N 319.449 2.505 0 40 DFAB COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357852 ZVTCLNFCXXSTCZ-GOSISDBHSA-N 310.397 2.982 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 218491228 ZSHPTAWLFYRDRW-HRCADAONSA-N 321.829 2.915 0 40 DFAB COc1ccccc1NC(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 40119963 MBKBBFFSKKJSOG-OKILXGFUSA-N 305.422 2.795 0 40 DFAB Cc1noc(C)c1-c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 568883399 HTZZGNQWRXERIA-AWEZNQCLSA-N 314.341 2.648 0 40 DFAB O=S(=O)(NCCSCc1cccs1)c1ccccc1 45411219 DKIVOJSNXPBUBG-UHFFFAOYSA-N 313.469 2.960 0 40 DFAB CC(=O)NC(=O)c1ccc(-c2cccc(Br)c2)o1 85346742 AQYQFSHYNURVGT-UHFFFAOYSA-N 308.131 2.985 0 40 DFAB O=C(COC1CCCCC1)Nc1cccc(N2CCNC2=O)c1 44574703 LICDSZOLYNLFJV-UHFFFAOYSA-N 317.389 2.504 0 40 DFAB CN(c1nc(O)c2cnn(C)c2n1)[C@H]1CCC[C@@H]1C(C)(C)C 574623688 DACXWDDZBHODIY-RYUDHWBXSA-N 303.410 2.720 0 40 DFAB Cc1nc2c(Nc3cccc(Cn4cccn4)c3)ncnc2[nH]1 46087791 NZWRURCFWKWGMU-UHFFFAOYSA-N 305.345 2.650 0 40 DFAB CCCc1noc([C@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123640 PMVSKSZKBYTQRZ-LBPRGKRZSA-N 303.362 2.943 0 40 DFAB O=C(NCCCc1ccc(F)cc1)c1ccc2c(c1)OCO2 223285846 YNIBFDVZVYEXNU-UHFFFAOYSA-N 301.317 2.917 0 40 DFAB O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1Cc1cccnc1 96183978 LBXZWVWVLKHLRZ-CVEARBPZSA-N 313.426 2.519 0 40 DFAB Cn1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cn1 96403523 AXNYJJWMYOJODA-UHFFFAOYSA-N 316.361 2.859 0 40 DFAB C[C@@H](N1CCN(C(=O)Nc2cccc(F)c2)CC1)C(F)(F)F 96454082 NHCBRACTGOSSOK-SNVBAGLBSA-N 319.302 2.926 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)c1 96053903 NKGIUXMIBOBKQX-HDICACEKSA-N 318.436 2.616 0 40 DFAB COc1ccc(CNc2ncc(C)c(C)n2)cc1NC(C)=O 95449334 DNHUOIHNHLBTDY-UHFFFAOYSA-N 300.362 2.673 0 40 DFAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCC2(CCCC2)CC1 96437207 GBYDFPBLUDCUOU-QGZVFWFLSA-N 322.493 2.962 0 40 DFAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cccc2cccnc12 95474989 XHJGZGHMAOMLMF-ZDUSSCGKSA-N 311.341 2.667 0 40 DFAB COC(=O)CCCNC(=O)Cc1c(Cl)cccc1Cl 49985149 OGQDILXBHXUDGP-UHFFFAOYSA-N 304.173 2.605 0 40 DFAB CSc1ccc(NC(=O)NCc2ccnc(C)n2)cc1F 96435417 ROPFTDKBTUBYHI-UHFFFAOYSA-N 306.366 2.968 0 40 DFAB Cc1cnc(N2CCC3(CC2)CC(=O)N(C)c2ccccc23)nc1 96243947 QFQNLJBFKRLUEH-UHFFFAOYSA-N 322.412 2.690 0 40 DFAB CSC[C@@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C 96414018 MVGHUSYEOAKHOB-CYBMUJFWSA-N 310.463 2.873 0 40 DFAB CCN(C)c1cccc(NC(=O)[C@H](O)c2cccc(OC)c2)c1 95450324 YXHVOOJOZVNHGI-QGZVFWFLSA-N 314.385 2.823 0 40 DFAB COc1ccccc1C[C@@H](NC(=O)[C@H]1CCCOC1)C(C)C 96448304 BTCPISIWGOTVQW-JKSUJKDBSA-N 305.418 2.805 0 40 DFAB Cn1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)cn1 257326272 WWONXKOVIYZHQG-UHFFFAOYSA-N 324.837 2.724 0 40 DFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccsc2)CC1 43978093 KINNBAUIBJLKRW-UHFFFAOYSA-N 323.462 2.698 0 40 DFAB Nc1cc(CC[C@H]2CN(Cc3ccccc3F)CCO2)ccn1 257276829 NVIKVGSTYYXDMZ-INIZCTEOSA-N 315.392 2.637 0 40 DFAB CC[C@@H](C)n1ncc(NC(=O)NCCc2ccccn2)c1C 390834394 XVOVPSYUIPQDML-GFCCVEGCSA-N 301.394 2.922 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCN(Cc2ccc(F)cn2)C1 585279118 UWUHKKXEFHYLAG-SFHVURJKSA-N 316.376 2.545 0 40 DFAB CC(C)c1nnc(NC(=O)NCc2ccc(CO)c(F)c2)s1 53756021 JZHYTLUCNPMYCD-UHFFFAOYSA-N 324.381 2.615 0 40 DFAB CN1CN(C)CN(C(=S)c2c(Cl)cccc2Cl)C1 19319815 OCJHNOIMRJGTFI-UHFFFAOYSA-N 304.246 2.721 0 40 DFAB O=S1(=O)CCCC[C@H]1C(O)(c1ccccc1)c1ccccc1 5064042 JXIMBLLTDJPETD-KRWDZBQOSA-N 316.422 2.890 0 40 DFAB CCOC(=O)n1c(S[C@H](CC)C(=O)O)nc2ccccc21 5399745 FSPDLGLUUARWQJ-LLVKDONJSA-N 308.359 2.996 0 40 DFAB COc1ccc(-c2cc(CC(=O)N3CCCCC3)no2)cc1 12866108 ZBKJZLSORWALPT-UHFFFAOYSA-N 300.358 2.905 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)NCCCN1CCCC1 13668473 IEMRJCHCNAJMJB-HNNXBMFYSA-N 306.475 2.910 0 40 DFAB O=C(CCc1ccccc1F)N[C@H]1CCN(c2nccs2)C1 206811593 IGENDPYDEUOLOS-ZDUSSCGKSA-N 319.405 2.610 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)c2ncccc2O)o1 153808796 JVECNDFQNGSYGI-LBPRGKRZSA-N 302.330 2.504 0 40 DFAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(O)c2)cc1 9512999 VUCIMPXMRDEWHH-NSHDSACASA-N 315.325 2.585 0 40 DFAB Cc1csc(C(=O)N2CC[C@H](COc3ccc(C)nn3)C2)c1 1888849904 JGOLTNKPRVPWEB-ZDUSSCGKSA-N 317.414 2.696 0 40 DFAB COc1cccc(C[C@H]2COCCN(Cc3ccccn3)C2)c1 1848355595 LUNSDMBZFPJJCA-QGZVFWFLSA-N 312.413 2.781 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4ncc(C)[nH]4)C3)c2c1 1848352238 NJCCEXXCKLAHGJ-GFCCVEGCSA-N 324.384 2.838 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cn1 32476842 PDVRAUKEOJBVAZ-GFCCVEGCSA-N 312.369 2.985 0 40 DFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN1 953025691 FXGQLWMIZCDNJA-LJQANCHMSA-N 309.413 2.502 0 40 DFAB Fc1ccc2c(c1)CN(C[C@@H]1CCOC1)CCOCCCCO2 2037988915 NJJPBHCVSZZHRV-HNNXBMFYSA-N 323.408 2.853 0 40 DFAB C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccccc1 2494639 WMVALJFKRIKUAL-GFCCVEGCSA-N 316.788 2.834 0 40 DFAB Cc1ccc(Cn2c(S(=O)(=O)O)nc3ccccc32)cc1 100635606 QICGMZXBPKUVSY-UHFFFAOYSA-N 302.355 2.640 0 40 DFAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 9134248 QKDZVHDPMNTBHP-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2cccnc2)no1 32824560 RWCFTEFOCPAGCR-OCCSQVGLSA-N 314.389 2.759 0 40 DFAB CC[C@H](C)NC(=O)CNc1ccc(Br)cc1F 20045212 QKZOMRQPXYGTHK-QMMMGPOBSA-N 303.175 2.915 0 40 DFAB CC(=O)C(Sc1nnc(NCc2ccccc2)s1)C(C)=O 101403416 DCGRQYFEKLNKHR-UHFFFAOYSA-N 321.427 2.789 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12 101966062 PZLROGVCOKZEST-PHZGNYQRSA-N 302.418 2.889 0 40 DFAB O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(C(=O)O)c1 377276 YQCRZRMKISVFAZ-VOTSOKGWSA-N 316.338 2.504 0 40 DFAB COC(=O)C1(NC(=O)Cc2ccc(C)c(C)c2)CCCCC1 32900514 XJOLIOQKLZFRSB-UHFFFAOYSA-N 303.402 2.838 0 40 DFAB O=c1c2cc(Br)ccc2ncn1CC(F)(F)F 32911383 QFZOSUVYVRLTRW-UHFFFAOYSA-N 307.069 2.721 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 29807380 VZIBBVXATMQWSG-HNNXBMFYSA-N 324.852 2.876 0 40 DFAB O=C(CN1CCCc2ccccc21)Nc1ccc2c(c1)OCCO2 2658771 ZAZYDAKGTYYZRC-UHFFFAOYSA-N 324.380 2.849 0 40 DFAB Oc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1 494181 BMXDXSFUYYHGAN-UHFFFAOYSA-N 307.353 2.839 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCCO2 76069443 INDNIKICDOPBAZ-GFCCVEGCSA-N 306.406 2.930 0 40 DFAB O=C(NC1CCCC1)[C@H]1CCCN1C(=O)Nc1ccccc1 1379707 VUXNAMPPHVINFC-OAHLLOKOSA-N 301.390 2.742 0 40 DFAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCC[C@@H]1CCCO1 79043318 FMLOTTNMUNGKDX-ZDUSSCGKSA-N 318.417 2.970 0 40 DFAB COc1ccc(CNC(=S)NN2[C@@H](C)CCC[C@@H]2C)cc1 7556594 BOQDIUWHDCFJDP-STQMWFEESA-N 307.463 2.837 0 40 DFAB C[C@@H]1N=C(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c2ccccc21 109007871 XXMUSHOPSWWBOY-AVOUXACISA-N 311.429 2.682 0 40 DFAB CC[C@H]1CCCCN1C(=O)NCCOc1ccc2c(c1)OCO2 47131005 QFLSGTYZXLIYKQ-ZDUSSCGKSA-N 320.389 2.768 0 40 DFAB COC(=O)N1CCC[C@@H](C(=O)Nc2cccc3ncccc23)C1 103939262 ZMXAPQLLYXIFCT-GFCCVEGCSA-N 313.357 2.652 0 40 DFAB COc1ccccc1C(=O)NCCCn1ncc2ccccc21 72239471 RBIYWWVOCGWSAA-UHFFFAOYSA-N 309.369 2.865 0 40 DFAB CN1[C@H]2CC[C@H]1CC(N1CCN(CCc3cccs3)CC1)C2 104378211 WCWMOTPLAUNSAV-HOTGVXAUSA-N 319.518 2.533 0 40 DFAB CCOC(=O)N1C[C@H](C)N(C(=S)Nc2ccccc2)C[C@@H]1C 8622512 WLJXOFCLTSLVDP-STQMWFEESA-N 321.446 2.935 0 40 DFAB COc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1OC 1025919 JQNQYXGOABBFCT-UHFFFAOYSA-N 315.325 2.583 0 40 DFAB COc1ccc(OC)c(C(=O)NCCN(C)c2ccccc2)c1 24241905 QUYJFAVLOPORLH-UHFFFAOYSA-N 314.385 2.570 0 40 DFAB COc1ccc(OC)c2c1[C@H]1[C@H]3[C@@H]4[C@@H]5[C@@]6(C=C[C@@H](O)C[C@]156)[C@H]2[C@@H]34 104290015 ZDMUPGIYZAKMAW-CQOSUGCQSA-N 308.377 2.697 0 40 DFAB O=C(NCCCCOc1ccc(F)cc1)Nc1nncs1 43128408 JLEQLVHJQGVPCF-UHFFFAOYSA-N 310.354 2.658 0 40 DFAB CC(C)(C)C(=O)N1CCc2nc3ccccc3c(C(=O)O)c2C1 1502961 VEXKRODUEWHSIM-UHFFFAOYSA-N 312.369 2.864 0 40 DFAB CO[C@@H]1CCCC[C@@H]1OC(=O)[C@H](C)Cc1c(C)nn(C)c1C 107353586 NNCXOWHBGFXDFN-LYRGGWFBSA-N 308.422 2.716 0 40 DFAB CCCCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3251650 ASWSZEHDBJDFGK-UHFFFAOYSA-N 301.289 2.960 0 40 DFAB Cc1nc2cc(C(=O)OCc3nc(C4CC4)cs3)cnc2[nH]1 97109002 YFFIZKCVAHBYHP-UHFFFAOYSA-N 314.370 2.957 0 40 DFAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cccn2)o1 27981302 LXRPUFYPPDCGJP-UHFFFAOYSA-N 302.721 2.825 0 40 DFAB CC(C)[C@H](C)NC(=O)Nc1ccccc1CN1CCOCC1 48146950 UQZZPZNNXFDWEZ-AWEZNQCLSA-N 305.422 2.685 0 40 DFAB CCCn1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1=O 58282696 FHZAOAWZIPRFGM-UHFFFAOYSA-N 317.364 2.716 0 40 DFAB CCc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)s1 44943259 NZBLTPRIUIDBMY-UHFFFAOYSA-N 316.382 2.571 0 40 DFAB CC(=O)N1CCC(C(=O)NCC[C@@H](C)c2ccccc2)CC1 58378379 MIVHIBSOMCSBMF-CQSZACIVSA-N 302.418 2.555 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCC(F)(F)F)c1 45126250 MVCHXTBHUMQAHU-QMMMGPOBSA-N 303.284 2.568 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1cc(=O)[nH]c2ccccc12 10960318 ZPUROJJZWNEADS-KRWDZBQOSA-N 304.349 2.945 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)O[C@@H]1c1ccccc1 2449482 RISIRWDRBBDOPW-SUMWQHHRSA-N 311.337 2.938 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1cc2c(F)cccc2s1 45908894 IPSWHFNIUQSEGX-UHFFFAOYSA-N 308.378 2.768 0 40 DFAB COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 72331234 OSYBKRCFEHIAMG-UHFFFAOYSA-N 310.397 2.966 0 40 DFAB CCOc1cc(Br)c(CC(=O)O)cc1OCC 3750801 QPJDHWGJKWKCNZ-UHFFFAOYSA-N 303.152 2.874 0 40 DFAB in-vitro Cc1c(C(=O)N2CCC(C(=O)O)CC2)oc2ccc(F)cc12 13261849 KIIILHXHLXZYDR-UHFFFAOYSA-N 305.305 2.817 0 40 DFAB CCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)c1cc(C)cc(C)c1 71903383 HFEGHYVVOBJJFN-AWEZNQCLSA-N 311.447 2.868 0 40 DFAB CC[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1 4107613 ICSBKKIWEOGIFU-OAHLLOKOSA-N 310.353 2.829 0 40 DFAB C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(Cl)s1 65449238 BRKLJLQNPWKVFY-SNVBAGLBSA-N 301.843 2.810 0 40 DFAB CCc1sc2nc(NC[C@@H]3CCCO3)n3ncnc3c2c1C 9053740 VKJYUFLIXIWYCL-JTQLQIEISA-N 317.418 2.801 0 40 DFAB CCCNC(=O)[C@@H](C)N(C)Cc1ccc(OC(F)F)cc1 65533036 YBEYIVHIKMBDLL-LLVKDONJSA-N 300.349 2.635 0 40 DFAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(Cl)cc1 5347447 XPWVCZFHIGRDCV-LLVKDONJSA-N 316.810 2.756 0 40 DFAB COCCSc1nnc(NC(=O)c2cccc(F)c2)s1 4510442 VQEQVAYGFKDWNO-UHFFFAOYSA-N 313.379 2.668 0 40 DFAB Cc1occc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1 71195676 WEQMBACAMZUCJU-HNNXBMFYSA-N 322.368 2.976 0 40 DFAB O=C(NCCOC(=O)c1ccc(F)cc1)c1ccc(F)cc1 5862437 WTZSEHZUOXJTBV-UHFFFAOYSA-N 305.280 2.552 0 40 DFAB Nc1ccc2c(NC[C@@H]3CCO[C@H]3c3ccccc3)ncnc2n1 90095270 LTVBXUZDLHZCQE-BBRMVZONSA-N 321.384 2.797 0 40 DFAB COc1c(F)ccc(F)c1C(=O)Nc1cccc(CC(=O)O)c1 83915263 JFVKIXUDGDAARE-UHFFFAOYSA-N 321.279 2.853 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(Nc3ccccc3)CC2)cn1 68432944 UALRGABAHRAABI-ROUUACIJSA-N 324.428 2.627 0 40 DFAB CC(=O)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 9313886 NHJWKSNKMNZJNG-UHFFFAOYSA-N 306.321 2.983 0 40 DFAB Cc1nc(S)sc1CC(=O)NCC[C@H](O)c1ccccc1 81252780 VNZWKXHNFXCEIY-LBPRGKRZSA-N 322.455 2.523 0 40 DFAB Cc1nnc([C@@H](C)N2CCCN(Cc3ccccc3F)CC2)o1 68973250 BTHZPNNZWCMCMH-CYBMUJFWSA-N 318.396 2.786 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1cccnc1 97014661 QOMQLZIIURBUQG-MBNYWOFBSA-N 303.362 2.547 0 40 DFAB COc1ccc2cc(C(=O)Nc3ccc(N(C)C)cn3)[nH]c2c1 69491017 PECLRMATLIDYMQ-UHFFFAOYSA-N 310.357 2.890 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccsc2)C1 69433673 PIHPEBKDWUWPJK-NFAHFFEMSA-N 320.458 2.772 0 40 DFAB Cc1nccc(CNC(=O)c2ccc(-c3ccco3)nc2C)n1 69557835 QALVFWZGJGOUED-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB C[C@H](c1cc(F)ccc1F)N(C)CC1CCN(CCO)CC1 69628446 ZFKUTTWFQQJXMI-CYBMUJFWSA-N 312.404 2.662 0 40 DFAB Cc1nc2nc(-c3ccco3)nn2c(O)c1Cc1ccccc1 8670101 ODEWIVCYRRLYGA-UHFFFAOYSA-N 306.325 2.989 0 40 DFAB CNC(=O)[C@@H]1CCCN1Cc1ccc(OC(F)F)c(Cl)c1 92100226 KZWQCIYRJDQIHB-NSHDSACASA-N 318.751 2.652 0 40 DFAB CCC(=O)N1CCCN(Cc2cc(F)c(F)cc2F)CC1 92187217 SLUGFVYWQBOVHR-UHFFFAOYSA-N 300.324 2.548 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@@H](Nc2ncccn2)C1=O 95398158 KMTNCTADLAQEFX-CYBMUJFWSA-N 300.337 2.532 0 40 DFAB CCc1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 408707571 ONIVZQLNCFHKNL-OAHLLOKOSA-N 324.424 2.785 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCC1(c2ccccc2)CCC1 95411077 FEMUIDIXZBUKMU-MRXNPFEDSA-N 302.418 2.521 0 40 DFAB NC(=O)c1cccc(CNc2nc(C3CC3)nc3c2CCC3)c1 95980547 JCUPIZJKJZPPLR-UHFFFAOYSA-N 308.385 2.554 0 40 DFAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)nn1 74952186 UQHKSPARJFZDSX-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB Cc1cnc(S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)nc1 89487643 VBMGEOACFKPPJV-JTQLQIEISA-N 309.391 2.605 0 40 DFAB COc1cc(CNC(=O)CCc2ccccc2)ccc1C(=O)O 89426712 TUIVETGEUZVCDF-UHFFFAOYSA-N 313.353 2.642 0 40 DFAB Cc1cc(Br)ccc1CN[C@@H](C)CC(=O)N(C)C 89583795 GFUJRTMMNYNEQT-NSHDSACASA-N 313.239 2.714 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)CN(C)C)c(C)c1 75109995 BQXBXRCULCEGFB-AWEZNQCLSA-N 312.479 2.558 0 40 DFAB O=C(Nc1cccc2[nH]cnc12)c1cccc(OCC(F)F)n1 89830087 HDPOCBPFUBQPTD-UHFFFAOYSA-N 318.283 2.854 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12 123396671 NJFDVXNNCYQDEC-ZOFSQYNYSA-N 308.462 2.722 0 40 DFAB CCN(CC(F)(F)F)C(=O)Nc1ccc(S(C)(=O)=O)cc1 75416699 NGYAINGKLXLPMY-UHFFFAOYSA-N 324.324 2.506 0 40 DFAB Cc1ccc(-c2snnc2C(=O)NCc2ccncc2)cc1 71195327 KXSLGVDAMDVSPW-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1C)CCC2 35596715 SLMPYRCQLMVZMG-UHFFFAOYSA-N 305.765 2.823 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1nc2ccc(F)cc2s1 71280752 IUAGVVBNQDQZPC-NXEZZACHSA-N 308.334 2.731 0 40 DFAB O=C1CN(C(=O)c2cc(-c3ccco3)on2)c2ccccc2N1 36709560 SRSGCWFKTWOPRD-UHFFFAOYSA-N 309.281 2.534 0 40 DFAB COc1ccc([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1 72233696 MSVMBRNUHOHROT-QGZVFWFLSA-N 307.390 2.914 0 40 DFAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC1CCCCC1 49545986 NDLQVSKWLZSDPS-UHFFFAOYSA-N 320.437 2.543 0 40 DFAB Cc1ccc2[nH]c([C@H]3CCN(C(=O)c4ccncc4)C3)nc2c1 49168702 PWVHCKHUQPBRTI-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB biogenic,in-vitro CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222832876 XZKWEUQYFORDTQ-LBPRGKRZSA-N 310.825 2.849 0 40 DFAB CCc1ccc(NC(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224188608 WWBXIMSRFOIJTL-UHFFFAOYSA-N 313.405 2.735 0 40 DFAB Cc1ccc(C(=O)NCC2=CCCCC2)cc1NS(C)(=O)=O 224082130 NJJXBENRNXCQQI-UHFFFAOYSA-N 322.430 2.597 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)N[C@](C)(CO)C2CC2)c1 84878487 GRLGFDKTHOXPHW-QGZVFWFLSA-N 305.422 2.814 0 40 DFAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CC[C@@H](Cc2ccccc2)C1 225514387 OLUVIYGPCKCLHK-JKSUJKDBSA-N 309.413 2.606 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CCOc2ccccc2C1 81276374 STFFTFPYNHPUJE-UHFFFAOYSA-N 313.401 2.818 0 40 DFAB O=C(O)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O 41127928 YQXLIMIAWQALHJ-UHFFFAOYSA-N 309.321 2.614 0 40 DFAB C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(=N)O 330625260 SSEOZIAFXLCRFR-CUZKYEQNSA-N 304.390 2.624 0 40 DFAB O=S1(=O)CCN(Cc2ccc(-c3ccccc3)s2)CC1 93047802 XZNLGTPFGOIHJZ-UHFFFAOYSA-N 307.440 2.646 0 40 DFAB CC(C)N1CCC2(CC1)C[C@@H](NC(=O)c1cccs1)CO2 96221260 LZFVWZUGMCLGEL-CYBMUJFWSA-N 308.447 2.510 0 40 DFAB Cc1cc(C(=O)N2CCOC[C@@H]2c2csc(C)n2)c(C)o1 96219603 BDYZAUDGRMVILN-CQSZACIVSA-N 306.387 2.875 0 40 DFAB Fc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 96053735 AWGYHIQLTUZPPL-HDICACEKSA-N 311.404 2.785 0 40 DFAB CC(=O)N[C@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296940 IUUHAQCOXGCMGY-SSDOTTSWSA-N 308.721 2.890 0 40 DFAB biogenic,in-vitro O=C(Cn1cccn1)N1CC[C@H](CSc2ccccc2)C1 96431846 UOAFGKFCPLBVLP-AWEZNQCLSA-N 301.415 2.524 0 40 DFAB COc1cccc(NC(=O)NCc2nccn2CC(C)C)c1 96433614 FGKUXFHXXWTDBG-UHFFFAOYSA-N 302.378 2.869 0 40 DFAB COC(=O)NCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 96423460 GHCVAYLPCJIDNY-IJEWVQPXSA-N 318.417 2.916 0 40 DFAB CC(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1 257304191 SKLISTKVYNPGEX-OAHLLOKOSA-N 314.389 2.692 0 40 DFAB c1cc(CN2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n[nH]1 257287737 PRHBYASUXQIARX-OAHLLOKOSA-N 311.385 2.847 0 40 DFAB NCc1cccc(-c2cccnc2C(=O)NCc2ccccn2)c1 257223502 DXQCODYYNDRIJA-UHFFFAOYSA-N 318.380 2.532 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257307976 TUYGAGYBBOJEFQ-HNNXBMFYSA-N 307.357 2.639 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@H]2NCCCC[C@@H]21 257264842 LWFLQWZDOFHMCE-SJORKVTESA-N 304.409 2.891 0 40 DFAB CCn1nc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1C 257303867 SJCLASKOZCAGJS-LBPRGKRZSA-N 304.419 2.688 0 40 DFAB Cc1cc(F)ccc1CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257260400 LCRYFRKDQYZNPY-NUJGCVRESA-N 305.393 2.829 0 40 DFAB CO[C@H]1CCOC2(C1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 575402912 DQDAJQCAJDQFNO-KUNBBXKYSA-N 319.445 2.609 0 40 DFAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)s1 58016668 GKLPLYGSYIROPH-MRVPVSSYSA-N 301.375 2.522 0 40 DFAB C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)CC1(C)OCCO1 96418601 FWAIEOPUDSPEPQ-CYBMUJFWSA-N 316.401 2.616 0 40 DFAB CCCc1nnsc1C(=O)N1CCCC[C@H]1c1ccnn1C 1775965930 LKSDREXZXSIYCC-ZDUSSCGKSA-N 319.434 2.592 0 40 DFAB O=C(COc1ccc(Br)cc1)Nc1ncccc1O 5687540 URTVBKYBHKUZKE-UHFFFAOYSA-N 323.146 2.567 0 40 DFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 13345440 CZZUOTDUXBRXJT-RMKNXTFCSA-N 321.329 2.724 0 40 DFAB COc1ccnc(NC[C@H](c2ccccc2Cl)N(C)C)n1 15115501 QMUVXRIJWKWNDN-CYBMUJFWSA-N 306.797 2.853 0 40 DFAB Cc1nc2cccc3nc(C(Cl)(Cl)Cl)nc(n1)-n-2-3 16941238 RIPUPINEUIGYCG-UHFFFAOYSA-N 302.552 2.735 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)CCn1c(=O)oc2ccccc21 18116456 ATSWENIJBBMIPX-CYBMUJFWSA-N 304.390 2.926 0 40 DFAB COc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1 34199392 HQNIGXLUXYHCFL-UHFFFAOYSA-N 305.399 2.525 0 40 DFAB Cc1cnc(OC[C@H]2CCCN(c3ncc(Cl)cn3)C2)nc1 1776000774 JFZCWAUJBIBFPA-LBPRGKRZSA-N 319.796 2.524 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2cncs2)cs1 2037845598 DUFGAIDMZIUYRC-LBPRGKRZSA-N 308.432 2.895 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(Cc1ccc(F)c(F)c1)C2 1204224697 RDYNVFCYBJJYSH-IRXDYDNUSA-N 311.372 2.982 0 40 DFAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1ccccc1 10324636 KAIVJJXGPYJDFQ-UHFFFAOYSA-N 309.325 2.545 0 40 DFAB CC(C)N(C)C[C@@H]1CCC2(CCN(C(=O)C3CC3)CC2)CO1 2055835353 JXUXTHCZIQQPIN-INIZCTEOSA-N 308.466 2.524 0 40 DFAB O=C1CCc2cc(NC(=O)NCCc3ccccc3)ccc2N1 22507059 OYPYWPKCCKUUDC-UHFFFAOYSA-N 309.369 2.936 0 40 DFAB CSc1ccc([C@@H](O)CNc2ncnc3ncccc23)cc1 1775970219 HQRDJHATGYHIPF-AWEZNQCLSA-N 312.398 2.892 0 40 DFAB O=C(Cn1cccn1)N(Cc1ccc(O)cc1)C1CCCCC1 96495916 BAWJQEIWMWHVIN-UHFFFAOYSA-N 313.401 2.950 0 40 DFAB Cc1cc(-c2nn3c(-c4ccccc4F)nnc3s2)n(C)n1 40286747 GNQLIMOXNQAVQO-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB Cc1nc2ccccc2n1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100238492 LXJOKXIOUFUPJT-MRXNPFEDSA-N 323.327 2.988 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc(OC)c(OC)c2)nc1 40497081 WLWOPEVAAOHGPR-UHFFFAOYSA-N 316.357 2.888 0 40 DFAB COc1ccccc1NC(=O)NCc1ccnc(-n2cccn2)c1 31663531 PHLJVLWXVIKVOT-UHFFFAOYSA-N 323.356 2.598 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 40508990 VVQBAPLAUKMGJO-JQWIXIFHSA-N 313.829 2.798 0 40 DFAB CN(c1ccc(C(=O)NC2CCCCCC2)cc1)S(C)(=O)=O 382630 DQQCMZHYVJGKSU-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB COc1ccc(OC)c(NC(=O)COc2ccc(F)cc2F)c1 32672229 WKNAIVRPIMYRQR-UHFFFAOYSA-N 323.295 3.000 0 40 DFAB CCCn1nnnc1NC(=O)c1cccc(Cl)c1Cl 569526 SIUPXLUKLMLHFA-UHFFFAOYSA-N 300.149 2.642 0 40 DFAB CN(C(=O)Cn1nnc2ccccc21)c1nc2ccccc2s1 46567120 KGLUHHXBTMJWBB-UHFFFAOYSA-N 323.381 2.704 0 40 DFAB CC[C@@H](NC(=O)NCc1nccn1C)C(C)(C)c1ccccc1 78952651 CTBLPFXSXIIESJ-OAHLLOKOSA-N 314.433 2.976 0 40 DFAB O=C(NCCC(F)(F)F)NC1CCN(C2CCCC2)CC1 79014598 WBBQVDCUKLNOLW-UHFFFAOYSA-N 307.360 2.645 0 40 DFAB COCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 525747 YYRFXSTYLNOSHD-UHFFFAOYSA-N 312.373 2.825 0 40 DFAB Nc1c(C(=O)N2CCCCCC2)nnn1-c1ccc(Cl)cc1 4984445 QTMXQRPDBCWNFW-UHFFFAOYSA-N 319.796 2.519 0 40 DFAB CCn1c(=O)[nH]c(=O)c2c(-c3cccc4ccccc34)ccnc21 10157258 SDSZSFBNYPBOEJ-UHFFFAOYSA-N 317.348 2.925 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc(Cl)nc(N)n2)C1 53580453 TUZQRVHTIXASSK-AAEUAGOBSA-N 317.824 2.960 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 54223010 AYQLLXXTVXLONO-PVAVHDDUSA-N 302.418 2.507 0 40 DFAB CCn1c(SCCN2CCOCC2)nnc1C1CCCCC1 26099176 ZTIXGZUFJDYPDM-UHFFFAOYSA-N 324.494 2.770 0 40 DFAB COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1OC 3052315 LRJUHOOCAOYJCS-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](Nc2ccccc2)C1 69705656 SIPCAKLDQLWBKL-CYBMUJFWSA-N 318.808 2.709 0 40 DFAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cccs1 9070849 YHIDEWLASLYZJB-LBPRGKRZSA-N 320.345 2.642 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)Cn1nnc2ccccc21 54748645 IIZZXFYIZNJNIS-LLVKDONJSA-N 312.398 2.639 0 40 DFAB Cc1cc(CN[C@H]2CCCN(c3cccnn3)C2)ccc1F 105904946 YYQKEYODAOEKDZ-HNNXBMFYSA-N 300.381 2.683 0 40 DFAB CN(Cc1ccc(F)cc1F)CN1C(=O)c2ccccc2C1=O 24617127 MASLOKRORKSVLI-UHFFFAOYSA-N 316.307 2.650 0 40 DFAB O=S(=O)(C[C@@H](O)CSc1ccccc1)c1ccccc1 1385792 DGCBBLQTZSEPEX-ZDUSSCGKSA-N 308.424 2.614 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1F 3201573 HVDSUSMMOPLWNJ-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nn(C)c1C 25876793 MXUHISGPTKJRMK-UHFFFAOYSA-N 313.401 2.567 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)o1 102747018 WAAZSQYSDMVWRB-WMHQRMGPSA-N 301.386 2.954 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)c1ccoc1 48234158 MHBCVEHMDZWUQF-AWEZNQCLSA-N 318.398 2.825 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2nnc(-c3ccco3)s2)c1 48253091 FQGGBZPPLFCTKT-UHFFFAOYSA-N 302.315 2.581 0 40 DFAB CCOC(=O)C1CCN(Cc2ccn(-c3ccccc3)n2)CC1 58174104 OFZXPFWMAWMROR-UHFFFAOYSA-N 313.401 2.647 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C4CC4)n[nH]3)CC2=O)cc1 58152650 VIMCKOWJYLAXPK-CYBMUJFWSA-N 324.384 2.587 0 40 DFAB COc1ccccc1NC(=O)NC[C@H]1CCCN(C(C)C)C1 58210663 PXEXCHFTQZCUFF-CQSZACIVSA-N 305.422 2.937 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)NC[C@@H](O)c1cccc(F)c1 58228120 XWJHFYHOWFEAHK-BLLLJJGKSA-N 320.364 2.773 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@H](C)CC[C@H]2CCCO2)c1 58245122 PPJUTQABIZABQK-CHWSQXEVSA-N 307.390 2.781 0 40 DFAB Cc1n[nH]c(SCc2ccc(NC(=O)C(F)(F)F)cc2)n1 20293579 FGQOSZLJYJOQBX-UHFFFAOYSA-N 316.308 2.906 0 40 DFAB Cc1cc(CN(C)C(=O)Nc2cccnc2N2CCCC2)no1 44952057 JZBGPULGZIAWDY-UHFFFAOYSA-N 315.377 2.642 0 40 DFAB O=C(NCc1ccoc1)c1nc(N2CCCCC2)ncc1Cl 44977871 WKUDODBPLWQFSQ-UHFFFAOYSA-N 320.780 2.643 0 40 DFAB Cc1ccc(C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 27838477 LCTAQHQHDPPYEG-INIZCTEOSA-N 322.408 2.820 0 40 DFAB Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c2cnn(C(C)C)c2n1 27885849 XGODWBUGURALGE-DOMZBBRYSA-N 316.405 2.618 0 40 DFAB CS(=O)(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 10512044 NCNSIFTWHTXZKV-VAWYXSNFSA-N 301.367 2.742 0 40 DFAB C[C@@H]1CCCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1 58898787 AQRFFRWOKPNDKF-OAHLLOKOSA-N 320.481 2.880 0 40 DFAB O=C(Cc1noc2ccccc12)NCCCOCc1ccco1 48341618 GGAQQYKVNHBZTF-UHFFFAOYSA-N 314.341 2.686 0 40 DFAB COCCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12946883 RYAWNVAZUXDSSZ-UHFFFAOYSA-N 317.772 2.947 0 40 DFAB CCc1sc(C(=O)OCC(=O)NCc2ccco2)cc1C 13105388 LBBYHJXXQZPPTN-UHFFFAOYSA-N 307.371 2.685 0 40 DFAB CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(Br)cc1 13473526 KKIIBZSWCOFSNB-SNVBAGLBSA-N 320.252 2.880 0 40 DFAB Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)C)c12 64723799 WSVSVFGXHNTXTM-UHFFFAOYSA-N 321.384 2.703 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c1C 6337352 BPXOCOIYITWVIX-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB COc1ccc(CNC(=O)CN(C)Cc2cccs2)cc1 6541324 IXSVWDIJJVMFBG-UHFFFAOYSA-N 304.415 2.505 0 40 DFAB COc1cc2c(cc1OC)[C@]1(C)CC(C)(C)NC(=S)N1CC2 6782481 BHMVZMUIRGDLHV-KRWDZBQOSA-N 320.458 2.834 0 40 DFAB biogenic COc1cccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 6874654 GNFVAXGFISQRFH-SJKOYZFVSA-N 302.374 2.696 0 40 DFAB CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1)c1cccs1 7078019 ZGNFBHKWOWSXQY-INIZCTEOSA-N 316.426 2.991 0 40 DFAB CC(C)c1nnc2sc(-c3ccc(-n4cccn4)nc3)nn12 71280184 BMTDCDNADFDGQH-UHFFFAOYSA-N 311.374 2.557 0 40 DFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 15769101 LOIOWZWCZMZJPA-SNVBAGLBSA-N 315.373 2.945 0 40 DFAB COc1cccc(CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)c1 7458429 DIAJBGWGNQLBKT-YOEHRIQHSA-N 304.434 2.822 0 40 DFAB COc1cccc(NC(=O)CSc2nnc(C)n2C2CC2)c1 7617240 OQAWEGVHLGMPFE-UHFFFAOYSA-N 318.402 2.661 0 40 DFAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(N)=O 409028355 LUEYIXYFRYSHRH-UHFFFAOYSA-N 314.410 2.966 0 40 DFAB Cc1ccc(CC(=O)N2Cc3ccccc3N(C)C[C@H]2C)cn1 81613894 NRGDFLZUKABXGV-OAHLLOKOSA-N 309.413 2.800 0 40 DFAB COC(=O)c1cccc(NC(=O)CCc2c(C)noc2C)c1 8390800 DQYPZLPHALODJH-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB O=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 8339819 QLUDAOOONJZCJK-UHFFFAOYSA-N 318.380 2.886 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)cc2n1 69490036 CIXNJRMQMSJXKM-CABCVRRESA-N 313.401 2.835 0 40 DFAB CC(C)OCCN1CCOC[C@H]1c1noc(-c2ccccc2)n1 96000327 ZXVOBSVIZBZYKJ-HNNXBMFYSA-N 317.389 2.535 0 40 DFAB CSC1(CNC(=O)NCC2(C)CCCC2)CCOCC1 96440050 RUCBNUYACJXJEG-UHFFFAOYSA-N 300.468 2.778 0 40 DFAB CS(=O)(=O)c1ccsc1NC(=O)c1ccc(F)cc1F 96411632 IPAXQYQUIXEYPU-UHFFFAOYSA-N 317.338 2.682 0 40 DFAB CCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)O 113735880 BWSWZBCSFZAYOB-CABCVRRESA-N 313.438 2.954 0 40 DFAB Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)on1 71850978 DOUZSBOWQGCOCQ-UHFFFAOYSA-N 311.341 2.919 0 40 DFAB Cn1cccc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 71886304 BWUFAJRIDBKROF-CYBMUJFWSA-N 318.348 2.974 0 40 DFAB COC(=O)CCCN(C)C(=O)CCc1nc2ccccc2s1 71827554 URAULAHKOLPWKR-UHFFFAOYSA-N 320.414 2.641 0 40 DFAB O=C(COC[C@H]1CCCO1)Nc1cc(-c2ccccc2F)no1 71900748 URBBKQKXLVPAND-LLVKDONJSA-N 320.320 2.615 0 40 DFAB O=C(NCCCCn1ccccc1=O)Nc1cccc(F)c1F 71908468 VYCIADNZGCAMEZ-UHFFFAOYSA-N 321.327 2.728 0 40 DFAB CN(Cc1cccnc1)c1ccc(S(=O)(=O)C(F)F)cc1 97472486 IARMFUKKDGZBSE-UHFFFAOYSA-N 312.341 2.714 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)[C@@H]1CCCN1Cc1ccccc1 84535967 URSNQHPRVPGLDS-MSOLQXFVSA-N 322.408 2.901 0 40 DFAB Cc1cccc(NCc2ccccc2CN2CCC(O)CC2)n1 97096486 FWCKIJPVDHAHQT-UHFFFAOYSA-N 311.429 2.959 0 40 DFAB CC[C@@H]1C[C@@H](C(=O)N[C@@H](c2ccn(C)c2)C(F)(F)F)CCO1 97054991 VYMATKZBYLXLOK-UHTWSYAYSA-N 318.339 2.950 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)n1 72234510 IHEUFVGZXIYTPL-IXDOHACOSA-N 318.465 2.536 0 40 DFAB CC[C@@H](OC(=O)[C@H](C)S(C)(=O)=O)C(C)(C)c1ccccc1 84718788 LXPFAIDFTCCPNJ-GXTWGEPZSA-N 312.431 2.719 0 40 DFAB CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1nc(C)cs1 84734858 XRFNMCCRKBDIML-JTQLQIEISA-N 301.375 2.604 0 40 DFAB C[C@H](CNC(=O)N[C@H]1CCc2ccccc21)CC1(C)OCCO1 95412353 RMFKBDOIAUZEBB-BBRMVZONSA-N 318.417 2.762 0 40 DFAB CCOc1cc(CNCC2([C@@H](O)C(C)C)CC2)ccc1OC 95463781 MDXJZWZLCKPBIR-KRWDZBQOSA-N 307.434 2.981 0 40 DFAB O=C(NC[C@@H]1CCOCO1)Nc1ccc(Cl)c(Cl)c1 95428459 JWDZGSWXYDSNHO-VIFPVBQESA-N 305.161 2.878 0 40 DFAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3sc(C)nc3C)C2)o1 95402350 MHUDKUMRAZAMKR-CQSZACIVSA-N 320.462 2.763 0 40 DFAB Cc1cc(C)n2c(CNC[C@H]3CCO[C@H]3C(C)(C)C)cnc2n1 95430376 PELBYAUZNSNVQS-GDBMZVCRSA-N 316.449 2.887 0 40 DFAB C[C@H](Nc1nc(N)c2ccccc2n1)[C@@H](O)Cc1ccccc1 95978592 AJNGWHGRVUEFDY-LRDDRELGSA-N 308.385 2.616 0 40 DFAB Cc1csc(NC(=O)N[C@@H](C[S@](C)=O)c2ccccc2)n1 95963832 KSPRLDCQFWBIFM-LAJNKCICSA-N 323.443 2.693 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCC(F)F)C1 74307411 XMCCGOYCBZFFAL-LBPRGKRZSA-N 315.339 2.667 0 40 DFAB Cc1[nH]nc2ncc(NS(=O)(=O)c3cccc(Cl)c3)cc12 89568216 RUTMQQIVHBJZGD-UHFFFAOYSA-N 322.777 2.721 0 40 DFAB Cc1ccccc1[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 89689199 HIOVZDGHEZMWHM-HOCLYGCPSA-N 320.433 2.627 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)oc(C)c1C)CC2 89986376 XMZLEHSXILXRLF-HUUCEWRRSA-N 321.417 2.597 0 40 DFAB C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)c2cccnc2O1 89941260 PAVBFOANZVDDNI-YGNAEDSMSA-N 316.382 2.670 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1ccnc(Oc2ccccc2)c1 89938737 KRIYBTSCXXAPLD-CQSZACIVSA-N 311.385 2.650 0 40 DFAB CCOc1cc(=O)n2c(c1C(=O)NC1CCCC1)CCCCC2 67350372 LENDMXWULZPKQI-UHFFFAOYSA-N 318.417 2.646 0 40 DFAB CCn1cc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)n1 32609960 XFBRGHFWAGEPEH-UHFFFAOYSA-N 318.808 2.519 0 40 DFAB Cc1cc(C)c2nc3s/c(=C\c4ccccc4O)c(=O)n3c2c1 408721319 ORJMZZLLRCUYII-DHDCSXOGSA-N 322.389 2.779 0 40 DFAB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 409008123 UFMPRXXAJOQKEI-ONEGZZNKSA-N 303.226 2.590 0 40 DFAB O=C(CCc1cccnc1)N1CCC(OC2CCCC2)CC1 522210596 IFOXBPFFYLNIAE-UHFFFAOYSA-N 302.418 2.964 0 40 DFAB CC(C)(C)NC(=O)c1cccc(CNC(=O)C2=CCCCO2)c1 73329846 LQGOXOHZIDYPIT-UHFFFAOYSA-N 316.401 2.525 0 40 DFAB Cc1nnsc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 38753123 AEARNOYNZLBEPE-UHFFFAOYSA-N 318.333 2.571 0 40 DFAB Cc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1Cl 39402707 DBFQCWGTYZYJKX-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2N1CCCCC1 32603991 MUPGTHZRBVSLSE-HNNXBMFYSA-N 317.433 2.515 0 40 DFAB O=c1cc(Oc2ccc3c(c2)OCO3)nc2ccc(Cl)cn12 32908918 PFWUUXDZLQEXQK-UHFFFAOYSA-N 316.700 2.869 0 40 DFAB COc1ccc2[nH]cc(CC(=O)O[C@@H]3CCC[C@@H]3OC)c2c1 78985718 BZYMUBHAENWHCX-JKSUJKDBSA-N 303.358 2.830 0 40 DFAB COCC(=O)NCCSCc1ccc(Cl)cc1Cl 182420307 APSNDTBSNLZUSC-UHFFFAOYSA-N 308.230 2.989 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](CN)[C@@H]2c2ccccc2)cc1 218049517 XDKJNKPOHFAFHI-ULQDDVLXSA-N 301.411 2.510 0 40 DFAB C[C@@H](CCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F 79537325 YIICIDKPQBMJDZ-VIFPVBQESA-N 306.303 2.915 0 40 DFAB CC(=O)Cc1nsc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 36625089 XPKBFPLBJVSCCP-UHFFFAOYSA-N 319.430 2.825 0 40 DFAB CN(C)C(=O)CCCOc1nc(-c2ccccc2Cl)no1 187954176 PKBDOWYIWIWBDS-UHFFFAOYSA-N 309.753 2.637 0 40 DFAB Cc1cc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nc(C)n1 42110307 OSIWCLOLDSUPQZ-ZDUSSCGKSA-N 316.449 2.568 0 40 DFAB CCCn1nc(C(=O)Oc2c(C)ccc(C)c2C)ccc1=O 40159520 BHZFBGCJZSQHNR-UHFFFAOYSA-N 300.358 2.798 0 40 DFAB O=C(c1nc2ccccc2s1)N1[C@H]2CC[C@H]1c1cncnc1C2 225670642 MYGQYICBWPTJAU-HZMBPMFUSA-N 322.393 2.988 0 40 DFAB COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H](CO)C1 191282221 NICRAHKPRMTSQF-QMMMGPOBSA-N 319.188 2.848 0 40 DFAB Cc1sc(=O)n(CC(=O)N2CCCC2)c1-c1ccc(F)cc1 40529606 VSIBDUQXDSIPLP-UHFFFAOYSA-N 320.389 2.647 0 40 DFAB COc1cc(=O)n(C)cc1C(=O)Nc1cccc(Cl)c1C 225651131 JWFFSVKXTLGMNN-UHFFFAOYSA-N 306.749 2.608 0 40 DFAB C[C@@H](NC(=O)NCCSc1ccccc1F)c1cnn(C)c1 96440239 AJQVDHWCTGUNNS-LLVKDONJSA-N 322.409 2.712 0 40 DFAB O=C(CC1(n2cccc2)CCCCC1)NCCc1c[nH]cn1 96115978 JGQQLSGCJJECFK-UHFFFAOYSA-N 300.406 2.620 0 40 DFAB biogenic CCc1nc(C)c([C@H](C)N(C)CC(=O)NCc2ccco2)s1 96424505 LCDLTPCUIXGBSQ-LBPRGKRZSA-N 321.446 2.916 0 40 DFAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cn(C)nc1C 96415418 ZEPXTOWUYPDRKN-BLLLJJGKSA-N 315.421 2.977 0 40 DFAB CN(C(=O)[C@@H]1CCCCN1Cc1cccnc1)c1nccs1 96410147 ZMTRFZSPOWJKCS-AWEZNQCLSA-N 316.430 2.556 0 40 DFAB c1coc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)c1 96049467 NEKVAWGOXXDFCX-GOSISDBHSA-N 304.434 2.604 0 40 DFAB CS(=O)(=O)c1ccc(NCC[C@@H](O)c2ccccc2)cc1 96501991 FTTGHFJNELHFAV-MRXNPFEDSA-N 305.399 2.626 0 40 DFAB CC(C)c1cc(C(=O)NCCc2ccccc2)nc(N(C)C)n1 96101178 ORTHALKRFGJWLI-UHFFFAOYSA-N 312.417 2.639 0 40 DFAB CCOC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn2C1 96207693 JTDXKZQZBIUFTH-MRXNPFEDSA-N 317.433 2.769 0 40 DFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2CN)cc1 252515625 MGLAGQSVAHHARW-RCCFBDPRSA-N 315.438 2.818 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1cccc3cccnc13)CC2 257343519 ZTIDRRLMZNOALX-QGZVFWFLSA-N 312.413 2.741 0 40 DFAB CCC1(CC)CN(Cc2ccc(C(=O)O)cc2)CC[S@]1=O 455654252 KAJRAFWMJBLOBI-OAQYLSRUSA-N 309.431 2.508 0 40 DFAB O=C(Cc1ccccc1F)N1CCC[C@H](Oc2ccncc2)C1 575605539 QYWOMTSGKLKHOZ-INIZCTEOSA-N 314.360 2.833 0 40 DFAB O=C(Cc1ccc(C(F)(F)F)cc1)NCCCn1ccnc1 55176574 CIWOHSBZUXCAPO-UHFFFAOYSA-N 311.307 2.651 0 40 DFAB COc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1OC 55626757 OCOGZOAQSOUEJV-UHFFFAOYSA-N 311.381 2.943 0 40 DFAB O=C(/C=C/c1cccc(-c2ccccc2)c1)NC[C@H]1COCCO1 55847656 BDFNSGQMUKVBMR-YXBWYFRISA-N 323.392 2.898 0 40 DFAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)CSCc1cscn1 89895331 FJLLWHWZAJCSEB-AAEUAGOBSA-N 314.476 2.840 0 40 DFAB CCCS(=O)(=O)c1csc(C(=O)OC)c1-n1cccc1 96189 BALAJZMYNUOHTD-UHFFFAOYSA-N 313.400 2.509 0 40 DFAB Cc1ccc(NC(=O)C[S@](=O)c2ccccc2N)c(C)c1 15935423 DFZOHAIJKWJCRH-OAQYLSRUSA-N 302.399 2.632 0 40 DFAB C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)CCCCCC2 19457928 WGDULZZZQXUEIC-NSHDSACASA-N 319.434 2.668 0 40 DFAB Cc1cc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c(C)o1 225567276 JBZHGOBYSGITPS-OAHLLOKOSA-N 322.474 2.844 0 40 DFAB Cn1cc(CN2CCC(c3cc(C(F)(F)F)n[nH]3)CC2)cn1 643912101 NJHILJWGNNUFHB-UHFFFAOYSA-N 313.327 2.542 0 40 DFAB Cc1c(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cnn1C 19553272 OSYXVQNXMVITIF-CYBMUJFWSA-N 323.400 2.625 0 40 DFAB Cc1noc(C)c1CN1CCC[C@H](c2nc(C3CC3)no2)C1 1889089474 HGUHFCJDLUXYGU-ZDUSSCGKSA-N 302.378 2.931 0 40 DFAB CC(C)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1849322452 TZEQOWJVIYTFSR-UHFFFAOYSA-N 303.381 2.656 0 40 DFAB C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1cccs1 30983504 RCACMUTZKGOAPP-VXGBXAGGSA-N 318.398 2.948 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)COc3ccccc3C)cc21 13696077 XIRIYOQNXOZSNN-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCOc1ccc(C(=O)Nc2c(C)nc3ccccn3c2=O)cc1 17307434 HSHSGNNXXHZNPZ-UHFFFAOYSA-N 323.352 2.654 0 40 DFAB Cc1cccnc1OCC1CCN(C(=O)NCC(C)C)CC1 1775969230 DHZGJNGJRQUTPP-UHFFFAOYSA-N 305.422 2.846 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC(=O)[C@@]3(C)C2)c(C)c1 100113465 XEHASGGCKVTPLQ-QGWWYQLQSA-N 311.381 2.798 0 40 DFAB O=C(Cn1cccn1)Nc1ccccc1-c1cn2ccsc2n1 206894810 FAJXYELIXANXFO-UHFFFAOYSA-N 323.381 2.898 0 40 DFAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccccn1 38754172 NXVYQPHISHZIPK-UHFFFAOYSA-N 315.279 2.945 0 40 DFAB Cc1cccc(CN2CCC(C(=O)N3CCSCC3)CC2)c1 2298206424 BHWIBACKMOGTKX-UHFFFAOYSA-N 318.486 2.782 0 40 DFAB Cc1cccc(C)c1-n1nnnc1COC(=O)/C=C/c1ccco1 50055644 UXCZGKQJHKCANR-CMDGGOBGSA-N 324.340 2.629 0 40 DFAB Cc1ccc(CNC(=O)NCCc2ccc3c(c2)OCO3)s1 40139493 PZWLDLPUEVUDFV-UHFFFAOYSA-N 318.398 2.827 0 40 DFAB C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)C(=O)N(C)C 40540946 OZMWOQJHDMNDDH-VIFPVBQESA-N 317.216 2.519 0 40 DFAB O=C(C[S@@](=O)Cc1cccc(F)c1F)NCc1ccccc1 32801274 FGPQTWYUFYKNLS-JOCHJYFZSA-N 323.364 2.530 0 40 DFAB COc1ccc(C)cc1NC(=O)C(=S)NCc1ccco1 31486 XFGPXBPMQDNSMS-UHFFFAOYSA-N 304.371 2.652 0 40 DFAB COC(=O)N1CCCN(C(=O)CCc2ccc(C)cc2C)CC1 60345207 RVPMOLNSTIKDKT-UHFFFAOYSA-N 318.417 2.537 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccccc2)on1 60568069 DKRWMEPTCGZZEN-HOCLYGCPSA-N 311.385 2.698 0 40 DFAB COCCOc1ccc(CNC(=O)NC2CCCCC2)cc1 32933435 QBJFSASRFASANB-UHFFFAOYSA-N 306.406 2.844 0 40 DFAB O=C(c1ccc[nH]1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901838 MVDZGCYQBIXHAD-SECBINFHSA-N 312.295 2.776 0 40 DFAB COc1cccc(C(=O)NCCSCc2ccco2)c1OC 33019736 YIWNLGPRLFTOAF-UHFFFAOYSA-N 321.398 2.960 0 40 DFAB O=C1C[C@@H](C(=O)N2CCOc3ccccc32)c2ccccc2N1 33168080 MVKGLKFVQAPRDD-CYBMUJFWSA-N 308.337 2.538 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 52944315 ZLQYFSOEUCEGAJ-LBPRGKRZSA-N 309.793 2.986 0 40 DFAB O=C(Nc1nc2ccccc2s1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4832179 DYFKMYSUQISRAG-PSJXJDHFSA-N 314.366 2.758 0 40 DFAB C[C@H](NC(=O)COc1cccc(F)c1)c1nc2ccccc2[nH]1 9364776 UEJWZWBLXXFADD-NSHDSACASA-N 313.332 2.958 0 40 DFAB CCN(CC)C(=O)CSc1nnc(C)n1-c1ccc(C)cc1 6629798 SCPCBMWPNVVHSM-UHFFFAOYSA-N 318.446 2.845 0 40 DFAB CC(C)Cc1nnc2sc(NC(=O)C3CCCCC3)nn12 6818201 SXBLMRUBKDJZTI-UHFFFAOYSA-N 307.423 2.903 0 40 DFAB COc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 6824255 FYTLQJRXPQXUDE-GFCCVEGCSA-N 313.353 2.957 0 40 DFAB Cc1nnsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 7948670 HNNAHNSTCMEREC-UHFFFAOYSA-N 303.265 2.997 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 22836172 SGENPKHSSITXFE-GHMZBOCLSA-N 317.414 2.763 0 40 DFAB COCC(=O)Nc1ccc(Nc2cnc3ccccc3n2)cc1 54057256 YUBPKTPSHIIAOL-UHFFFAOYSA-N 308.341 2.958 0 40 DFAB O=C(O)/C=C/c1ccccc1OCC(=O)NC1CCCCC1 12394646 IEUGRVUMJDJYAI-ZHACJKMWSA-N 303.358 2.612 0 40 DFAB CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCC 8253864 UJXHPFQRIMZEAL-UHFFFAOYSA-N 301.814 2.998 0 40 DFAB C[C@@H](NCc1nccn1Cc1ccccc1)[C@@H](C)n1cccn1 69655986 IKGJPJCTAKBWJO-HZPDHXFCSA-N 309.417 2.867 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 9064001 LJJSGJAZHCSTLX-UHFFFAOYSA-N 316.430 2.840 0 40 DFAB COCC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C 55593873 HHMIEUZDOBMGLT-STQMWFEESA-N 318.417 2.698 0 40 DFAB CC[C@H]1CN(CCCOc2cccc(C)c2)CCN1C[C@H](C)O 106929733 JJJBZZHCQCYHHG-ROUUACIJSA-N 320.477 2.541 0 40 DFAB Cn1cc(C(=O)NCc2cccc(COc3ccccc3)c2)cn1 55991156 QQPCVKMHXVGLBC-UHFFFAOYSA-N 321.380 2.929 0 40 DFAB O=C(O)[C@H]1CCCN(Cc2ccc(Br)cc2F)C1 35296619 MPCLIOMLOSCJQZ-JTQLQIEISA-N 316.170 2.885 0 40 DFAB Cc1c(C(=O)/N=c2\sccn2C)[nH]c2c1C(=O)CC(C)(C)C2 102953456 NELQRZRUUJUWHX-SDXDJHTJSA-N 317.414 2.619 0 40 DFAB O=C1NP23(OCCO2)Oc2ccccc2[C@@]3(C(F)(F)F)O1 102958139 KJYDZWMXRATYNO-SNVBAGLBSA-N 323.163 2.794 0 40 DFAB O=c1[nH]c2ccc(NC(=S)Nc3ccccc3F)cc2[nH]1 3260808 LMPSJGDNINPERK-UHFFFAOYSA-N 302.334 2.804 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1cccc(F)c1 3244551 LZJUUWXUQMVFGD-STQMWFEESA-N 323.364 2.537 0 40 DFAB c1ccn2cc(CSc3ccc(-n4ccnc4)nn3)nc2c1 70688648 QHUDHILNDCLMEI-UHFFFAOYSA-N 308.370 2.602 0 40 DFAB CCN(C(=O)NC1CCC(O)CC1)[C@H](C)c1cccc(O)c1 58244883 FIHRDUVRRLHIFG-LRVUVFPRSA-N 306.406 2.788 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCO1 48151284 PJGYFHNJXNUSQG-IUODEOHRSA-N 300.362 2.561 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)CCOc1ccc(Cl)cc1 44939808 UPHYKTJEFVXTIY-LBPRGKRZSA-N 307.781 2.510 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)sc2n1 27893293 XVVHEYXOWJTNRJ-CABZTGNLSA-N 319.430 2.914 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)NO[C@@H]2CCCCO2)cc1 58356275 HULYGDXMFVKNSX-QGZVFWFLSA-N 321.373 2.623 0 40 DFAB Cc1ccn2cc(CNC(=O)[C@H](c3ccccc3)N(C)C)nc2c1 58393978 LUGONILRDVGWHC-SFHVURJKSA-N 322.412 2.562 0 40 DFAB COC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 48288571 KBCXFQMDGHWDCN-MRXNPFEDSA-N 315.344 2.789 0 40 DFAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNC[C@H]1CCCO1 28297082 ZDGVZHQOOXTXFJ-DLBZAZTESA-N 316.445 2.696 0 40 DFAB O=C(CCC(=O)Nc1nccs1)NCc1ccccc1Cl 36394093 VDWSSHCQCJWVFF-UHFFFAOYSA-N 323.805 2.832 0 40 DFAB O=C(O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3394202 XOKAFVKUROCSIP-UHFFFAOYSA-N 324.427 2.571 0 40 DFAB COc1ccc(OCCC(=O)OCc2c(C)noc2C)cc1 3320446 QHESPVIXXWRGLZ-UHFFFAOYSA-N 305.330 2.812 0 40 DFAB COc1ccc(Br)cc1CNC1CCC(O)CC1 36804141 MQXVXSOBZOTAJG-UHFFFAOYSA-N 314.223 2.851 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCOc1ccccc1 12945155 XKOITMWCEJWWMU-UHFFFAOYSA-N 321.380 2.610 0 40 DFAB CC[C@H](C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4085056 TWNZZZOKICMJNQ-ZBEGNZNMSA-N 302.374 2.716 0 40 DFAB biogenic CCNC(=O)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 64897131 OXUIILWNZXBJMG-UHFFFAOYSA-N 317.216 2.523 0 40 DFAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)c1cccc(Cl)c1 14094206 XTTFVGSCAGIKIZ-SSDOTTSWSA-N 308.794 2.658 0 40 DFAB COc1cc2cc(C(=O)NCc3cccnc3)[nH]c2cc1OC 5305902 KORLIQGXNHKWNF-UHFFFAOYSA-N 311.341 2.510 0 40 DFAB Cc1cc(C)c2c(c1)N(CN(C)Cc1ccccc1)C(=O)C2=O 14201221 RAIFHAIFPUKZHZ-UHFFFAOYSA-N 308.381 2.922 0 40 DFAB CCc1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21 14673692 WTCSTIKDCDCSAG-UHFFFAOYSA-N 321.380 2.988 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2nccs2)c(OC)c1 4736077 UOSZWIZWEWUJDD-SECBINFHSA-N 307.375 2.599 0 40 DFAB O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 4731585 QYPAZOXVJRPMRZ-LBPRGKRZSA-N 304.365 2.945 0 40 DFAB CN1CC[C@@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 90002217 SVSLINGADLMBPZ-CVEARBPZSA-N 315.804 2.910 0 40 DFAB Cc1nc(C)n(CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)n1 409412884 YTDLAJBIDDOSTC-ZAWLATJESA-N 324.428 2.593 0 40 DFAB CC1=C(c2ccc(Cl)cc2)N2CCS(=O)(=O)N=C2S1 7718600 UZFYQXOXICAOEX-UHFFFAOYSA-N 314.819 2.777 0 40 DFAB CCCn1nc(NS(C)(=O)=O)c2cc3cccc(C)c3nc21 9331337 XXMTYBGVHYERIA-UHFFFAOYSA-N 318.402 2.674 0 40 DFAB O=S(=O)(c1cccc(F)c1F)N1CCC[C@@H]1c1ccccn1 69461359 WIDPYXJGRFQKQJ-CYBMUJFWSA-N 324.352 2.886 0 40 DFAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1C 19933636 GGXTXLXWTGFBDA-UHFFFAOYSA-N 324.446 2.940 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC(C)(CO)CC2)c(C)c1 97377471 QJHLTLUQJIXSBC-UHFFFAOYSA-N 304.434 2.916 0 40 DFAB Cc1ccn2c(CN3CCC[C@H](Cc4nccn4C)C3)cnc2c1 97377018 QMZIZHWOJQMPQF-MRXNPFEDSA-N 323.444 2.831 0 40 DFAB COC(=O)[C@H](Sc1ncn[nH]1)c1c(F)cccc1Cl 97085439 XCPFSGFIOADMAC-SECBINFHSA-N 301.730 2.604 0 40 DFAB COC(=O)c1cc(CNc2ccccc2N2CCCC2=O)c[nH]1 97035165 YZFOWNRQBHINIL-UHFFFAOYSA-N 313.357 2.540 0 40 DFAB CCn1cc(NC(=O)c2nnsc2-c2ccc(C)cc2)cn1 72240018 BGPMZAKXFKKYMS-UHFFFAOYSA-N 313.386 2.982 0 40 DFAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccc(F)cc1C 72275671 DICACHPSCZHSTN-GOEBONIOSA-N 323.364 2.535 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 72235609 HSNDEDOQOFJMAZ-LBPRGKRZSA-N 320.343 2.650 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2cccc3[nH]ccc23)cc1 95446088 OGTQAQFOMLWBBN-UHFFFAOYSA-N 308.337 2.789 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CC23CCOCC3)cc1 95407325 PSMDBMOMTVNQEF-YOEHRIQHSA-N 317.429 2.901 0 40 DFAB O=C(O)c1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 88211714 FECJSIPKPJYWRO-NSHDSACASA-N 301.264 2.799 0 40 DFAB CCn1ccc(=O)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 95992178 BCDQZGNPMOEJES-NWDGAFQWSA-N 318.323 2.889 0 40 DFAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110710214 JKQYIVRPSFETNZ-JIMOISOXSA-N 314.307 2.565 0 40 DFAB COC(=O)NCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 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CCC(CC)C(=O)N1CCN(Cc2ccccc2)CCC1=O 72343224 WCFURKQZWKRXQT-UHFFFAOYSA-N 302.418 2.684 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2cnn3C)c1 36616275 VSXYHDFXKOTBGN-UHFFFAOYSA-N 308.341 2.732 0 40 DFAB CC(C)OCCCNC(=O)c1snnc1-c1cccs1 225790144 RINSXXCAYLTGOA-UHFFFAOYSA-N 311.432 2.812 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cc(N)ccc2N(C)C)c1 226261822 YSPYQIIFLUDZRP-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB CCOc1nc(C)c(NC(=O)Cc2ccc(OC)cc2)c(C)n1 224335125 DRLLDWACGXRDAM-UHFFFAOYSA-N 315.373 2.682 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 85880013 NTHFGBIKVDDYNT-CYBMUJFWSA-N 309.321 2.552 0 40 DFAB biogenic CO[C@@H]1CC[C@H](NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 225605964 KNARYCWXOYQZEY-JJRVBVJISA-N 312.454 2.791 0 40 DFAB O=C(CN1CCCCCCC1=O)Nc1nc(C2CC2)cs1 49658024 UVFATURRKUMOMH-UHFFFAOYSA-N 307.419 2.752 0 40 DFAB Cc1occc1CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 96446970 VTCXURFMMWYWFO-CVEARBPZSA-N 300.358 2.917 0 40 DFAB C[C@H](CNC(=O)Nc1cnn(C)c1)Oc1cccc(Cl)c1 96433850 AKPLPLLICBDYBN-SNVBAGLBSA-N 308.769 2.663 0 40 DFAB COc1ccccc1[C@H](CNC(=O)Cc1cccs1)OC 96384432 PPTFOIVRLPZPFI-HNNXBMFYSA-N 305.399 2.803 0 40 DFAB c1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccncc4)C[C@H]23)cc1 96220444 AXZJFLXEQQSUJA-BHIYHBOVSA-N 310.397 2.607 0 40 DFAB CC(C)n1cnnc1C1CCN(c2ncc(Cl)cn2)CC1 96496736 VHZBDCJIHLLWSG-UHFFFAOYSA-N 306.801 2.686 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1cnccn1 96431110 BJVIYXRRZSLWKX-IMJJTQAJSA-N 305.422 2.809 0 40 DFAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 244021933 SPNIFMLWRILKSE-UONOGXRCSA-N 318.417 2.741 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)cc1 256048447 TTYWDKSEXBKJHW-UHFFFAOYSA-N 300.362 2.654 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc(C)n1 257210575 BVFSBWCBJZODLM-KRWDZBQOSA-N 317.433 2.964 0 40 DFAB c1cnc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 257204994 AXEAXBAMKAWVRK-UHFFFAOYSA-N 311.385 2.627 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@H](OCCO)c1ccsc1 575621488 ORCWDWDHVXNDCZ-MOEXGYKKSA-N 317.410 2.628 0 40 DFAB O=C(CC1CCCC1)N1CC[C@](O)(COc2cccc(F)c2)C1 585277157 MKWSTNLDZLCYSV-GOSISDBHSA-N 321.392 2.748 0 40 DFAB CCO[C@H]1CO[C@]2(CCCN(C(=O)c3ccccc3C)C2)C1 585102981 NTEDKCKGELAGAN-CRAIPNDOSA-N 303.402 2.795 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1N1CCNC1=O 53060501 BOSYYRREUKPBTK-BETUJISGSA-N 315.417 2.643 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)Cc2cc(=O)c(O)co2)C12CCCCC2 98013278 AKYNVEFIWXWNNV-IAGOWNOFSA-N 321.417 2.905 0 40 DFAB Nc1c(Br)ccc(I)c1F 98210855 WAXNKQAEXSZCMM-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB C[C@H]1CCCCN1CCNC(=O)[C@H](C)Cc1cccc(F)c1 107344179 JDKSXFSNWGQQEO-CABCVRRESA-N 306.425 2.995 0 40 DFAB Cn1cnc2c(N3CCc4sc(Cl)cc4C3)ncnc21 645290256 XIQMESVZBPFSBU-UHFFFAOYSA-N 305.794 2.641 0 40 DFAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)CC 13479930 KIRWOJOOXVCGER-UHFFFAOYSA-N 302.374 2.685 0 40 DFAB O=c1[nH]c(-c2ccccc2)nc(Cc2ccccc2)c1CCO 16972487 WXGPZVZZQKXGKO-UHFFFAOYSA-N 306.365 2.563 0 40 DFAB c1ccc(CN2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19372344 YTFJFSPTDHVYOU-INIZCTEOSA-N 308.429 2.502 0 40 DFAB CC[C@H](NCCc1cccc(F)c1)C(=O)Nc1cc(C)on1 28624184 XMVCDOHJCKSKRU-AWEZNQCLSA-N 305.353 2.672 0 40 DFAB COc1ccc([C@@H](NC(=O)Cn2ccnc2C)C(C)C)cc1 29937942 WLQXHAIINHXOIC-KRWDZBQOSA-N 301.390 2.714 0 40 DFAB Cn1c(O)nc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 2087044537 WZMXLBSFRIGDLU-UHFFFAOYSA-N 323.400 2.528 0 40 DFAB CCONC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 23021291 MVLPCSMIPYBGMS-UHFFFAOYSA-N 317.242 2.712 0 40 DFAB O=C(O)Cc1csc(NC(=O)CSc2ccccc2)n1 162554 BVHZUXOZVRGVON-UHFFFAOYSA-N 308.384 2.501 0 40 DFAB COC(=O)c1ccoc1COc1ccc(-c2nnco2)cc1 32896002 VRKDFSJBQREXBC-UHFFFAOYSA-N 300.270 2.695 0 40 DFAB CCOC(CC[C@H]1[C@@H](CO)c2ccccc2N1C(C)=O)OCC 481542 KCJQXHNSGBDBRB-RDJZCZTQSA-N 321.417 2.677 0 40 DFAB Cc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1 76068450 STWWRNLZDBIOSR-AWEZNQCLSA-N 315.398 2.762 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCC2 77840261 KXXBPPOZEPCKFM-KRWDZBQOSA-N 324.428 2.786 0 40 DFAB Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12 79021283 RATIAUDAWXJQCY-UHFFFAOYSA-N 324.384 2.645 0 40 DFAB CC(=O)Oc1ccc(CNC2(c3noc(C)n3)CCCC2)cc1 79059192 KBWOSMBOVHPAPB-UHFFFAOYSA-N 315.373 2.862 0 40 DFAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCOC1 41379354 FLKXXZPQAKBOLX-LBPRGKRZSA-N 302.399 2.505 0 40 DFAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(Cl)c1F 33155742 XBQBKXIHINKZLM-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(Cl)cc(Cl)c1 4392681 BBNNEXQVPKAXRL-QMMMGPOBSA-N 322.213 2.757 0 40 DFAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccco1 558330 YPLHXELZKLZRHW-UHFFFAOYSA-N 311.326 2.698 0 40 DFAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 6630150 OVXRGHYJWPVWGS-XNTDXEJSSA-N 324.384 2.710 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)no1 2776829 GRJFMUXPZFYIKA-MRVPVSSYSA-N 302.256 2.706 0 40 DFAB CCOC(=O)c1ccc(-c2ccc(CN[C@@H](CC)CO)o2)cc1 7519845 HBDSSMJRQYQTCB-HNNXBMFYSA-N 317.385 2.984 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)o1 42092656 IZMFNBHICYFFPZ-VJFPMYOSSA-N 316.401 2.673 0 40 DFAB CCOc1cc(CNC2CC2)ccc1OCC(=O)NC(C)(C)C 8254397 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Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)no1 58230656 ZFCJUWKGTXTPCH-LBPRGKRZSA-N 302.378 2.742 0 40 DFAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(F)c(F)c1 12614316 MCJYGURTRGEDMZ-LLVKDONJSA-N 324.371 2.839 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)on1 44975704 PRYWSEDHGFCRLT-LLVKDONJSA-N 300.318 2.963 0 40 DFAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1c1ccsc1 58355042 ONEPYOWGDNUTIU-DGCLKSJQSA-N 302.403 2.702 0 40 DFAB CN(C)[C@@H](CNC(=O)Nc1cccnc1)c1cccc(F)c1 48261078 AQQYKHTUWGEBRH-HNNXBMFYSA-N 302.353 2.645 0 40 DFAB Cc1ccc(-n2nnnc2SC[C@@H]2CCCCO2)c(C)c1 3382556 MEHFFTGRTCENCI-ZDUSSCGKSA-N 304.419 2.940 0 40 DFAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc21 3339544 CUTLNXXZSSHEPZ-CYBMUJFWSA-N 324.380 2.848 0 40 DFAB O=C(O)[C@H]1CS[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 36612333 OFNXIAXOKQRXIE-PWSUYJOCSA-N 309.778 2.518 0 40 DFAB c1ccc(-c2cnc(CN3CCC[C@H](Cn4cncn4)C3)o2)cc1 69927948 ATKTYUWGBVVHKY-HNNXBMFYSA-N 323.400 2.845 0 40 DFAB O=C(NC1CCCC1)[C@H]1CCCCN1C(=O)c1ccccc1 65592518 PVGFPYDVNRKFRF-MRXNPFEDSA-N 300.402 2.740 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1 14180661 JRJVWFQUHOXWGO-UHFFFAOYSA-N 306.347 2.667 0 40 DFAB CCCN1CCCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 65610492 ZGGLNMUQCOPILG-AWEZNQCLSA-N 304.438 2.977 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCCCn2ccc3ccccc32)cn1 66042563 STEYWMXNTDLVNQ-IRXDYDNUSA-N 322.412 2.685 0 40 DFAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccccc2F)c1 6645983 VVGTWUOKQMYOBG-UHFFFAOYSA-N 314.360 2.740 0 40 DFAB COc1ccc2c3c(c(=O)oc2c1O[C@@H](C)C(=O)O)CCCC3 4749310 XTMFEMRCDOQBOR-VIFPVBQESA-N 318.325 2.532 0 40 DFAB COc1ccc(-c2cnc3n2CCN(Cc2cccnc2)C3)cc1 306139558 TUCJYSBBJBPQJJ-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB COCCOCCNC(=O)N1CCC[C@H](c2ccccc2)CC1 67065667 IYQQRNPDMNQSRX-KRWDZBQOSA-N 320.433 2.629 0 40 DFAB CCOC(=O)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 4912612 WHUJBADLIOLMTM-UHFFFAOYSA-N 313.766 2.581 0 40 DFAB O=C1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1F 15729886 JRRFBXMXKJFNMC-UHFFFAOYSA-N 306.318 2.562 0 40 DFAB C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2O1)c1nccs1 96013770 ZUXDVNRFAUFASI-AAEUAGOBSA-N 317.414 2.550 0 40 DFAB COc1c(C)cc(CN(C)C(=O)CCn2ccnc2)cc1C 70019754 IRQGJPMPFQWEDS-UHFFFAOYSA-N 301.390 2.557 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c1 70036422 MGLYHYOLASCVGS-OAHLLOKOSA-N 308.385 2.978 0 40 DFAB COC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)nc1C 20634151 OIRBKKMORNCWSU-UHFFFAOYSA-N 309.329 2.567 0 40 DFAB CC(C)(O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O 69491837 OOLNJLPTEDYBLY-UHFFFAOYSA-N 321.380 2.743 0 40 DFAB Cc1cccc(NC2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1 96420974 HIQAGUXKMLZZKC-HNNXBMFYSA-N 312.417 2.856 0 40 DFAB Cc1c([C@@H](NC(=O)[C@@H]2COCCO2)C(C)C)oc2ccccc12 71899798 BTGQEMAWZTVILI-HOTGVXAUSA-N 317.385 2.970 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1C1CCCC1 71820101 XMONHBHHRWDAKE-HNNXBMFYSA-N 311.385 2.718 0 40 DFAB CCCNC(=O)[C@H](C)Sc1nc(NC)c2ccccc2n1 26593539 QDTUJIJVNANPKQ-JTQLQIEISA-N 304.419 2.678 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@]2(CC=CCC2)C1 71907954 RPEGRVVGSQATPU-QGZVFWFLSA-N 302.422 2.787 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc(-n2ccnc2)c1 71910401 ZFXSNHKDWPSASP-LBPRGKRZSA-N 323.400 2.714 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccncc2O)cc1 95406914 GQQJKHYTJURJAE-JTQLQIEISA-N 304.371 2.915 0 40 DFAB COC(=O)[C@H](NCc1nnc(C)o1)c1ccc2ccccc2c1 97084114 NDEVLICEVJVRJV-MRXNPFEDSA-N 311.341 2.535 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCCC[C@H]1C 97091305 CMISCNJSXKEVIB-PWSUYJOCSA-N 305.422 2.684 0 40 DFAB O=C(NCc1cn[nH]n1)C1(Cc2cccc(Cl)c2)CCCC1 97013689 RDIFQKUPUNLBLB-UHFFFAOYSA-N 318.808 2.877 0 40 DFAB C[C@H](CN[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 97033373 YNJMRZGZIXXQKP-KMUNFCNLSA-N 317.401 2.624 0 40 DFAB CCc1noc([C@@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 72299983 UEDQNCKZFUEBMN-PWSUYJOCSA-N 317.393 2.833 0 40 DFAB C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cnn(C)c1 95413533 URYKKRMZWJHUNY-GFCCVEGCSA-N 322.359 2.958 0 40 DFAB O=C(NCc1ccon1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984052 YFRWOIWJQROLLO-KBPBESRZSA-N 321.764 2.657 0 40 DFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(C2CCC2)o1 89396520 MTNVUXRDAXMXHR-IHRRRGAJSA-N 319.405 2.643 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)[nH]1 75119322 FQAWIFKAFJMSFY-NXEZZACHSA-N 302.296 2.534 0 40 DFAB O=C(Nc1cnn(-c2nccs2)c1)c1cnc2ccccc2n1 89878658 HGECTGLGPLLCCO-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(COC)cc1 89948911 XFQMVHWMBWYCOD-QZTJIDSGSA-N 304.434 2.570 0 40 DFAB CSc1cccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)c1 20156399 YNRSILCQRMHQFY-UHFFFAOYSA-N 322.411 2.553 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)C(C)(C)CO1 36076010 ZOCOAUODRCKAMC-SNVBAGLBSA-N 303.811 2.528 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218361613 BVBAJLBCSCBTQJ-OWCLPIDISA-N 316.378 2.636 0 40 DFAB CCn1c(CN2CCCC[C@@H]2CCO)nc2c(F)cccc21 78922869 MOHXNLCZKNOJMZ-CYBMUJFWSA-N 305.397 2.932 0 40 DFAB CCCCN1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 72216307 NEDLFJVZSIFYRZ-KRWDZBQOSA-N 302.466 2.818 0 40 DFAB C[C@H](Cc1ccccc1F)NC1CCN(C[C@H]2CCOC2)CC1 188037767 ULQKLXBNQFWOSW-HZPDHXFCSA-N 320.452 2.847 0 40 DFAB Nc1nn(-c2cccc(F)c2)c2cccc(N3CCOCC3)c12 72233705 SZXPCFYSKSIABG-UHFFFAOYSA-N 312.348 2.583 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ncon1 182537965 XXGJUCMUYOZTAI-LURJTMIESA-N 303.215 2.719 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)cc1 72227169 XDFWWVXTHIBXMS-CABCVRRESA-N 302.761 2.764 0 40 DFAB CCOC(=O)NCCC(=O)Nc1ccc(Br)cc1 31273475 TWKNEXBTIMBPMC-UHFFFAOYSA-N 315.167 2.524 0 40 DFAB CC(C)Cn1cc(NC(=O)Nc2cccc([S@](C)=O)c2)cn1 78585158 JJMCZNWWUFNDHY-JOCHJYFZSA-N 320.418 2.921 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72239417 SHKXHULCPQWGKF-DOTOQJQBSA-N 302.418 2.821 0 40 DFAB CC[C@@H](NC(=O)c1cccc(=O)[nH]1)c1ccc(OC(F)F)cc1 225776050 ZSPXLSGSNAPKIR-GFCCVEGCSA-N 322.311 2.857 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CNC(=O)OC(C)(C)C 81425643 UDADMWPLCFNTHB-GXTWGEPZSA-N 321.421 2.780 0 40 DFAB Cc1cn(-c2ccccc2)nc1OCC(=O)Nc1nccs1 226852417 AMAIFEAASZMGDV-UHFFFAOYSA-N 314.370 2.655 0 40 DFAB FC(F)(F)Cn1cc(Cl)c(I)n1 86788383 UTFGWPKPKFAEKB-UHFFFAOYSA-N 310.444 2.703 0 40 DFAB COC(=O)CN(CC(C)C)C(=O)c1cnc2ccc(F)cc2c1 95443310 ZXZULQRZJRAAQT-UHFFFAOYSA-N 318.348 2.645 0 40 DFAB O=C(Cc1ccc2c(c1)OCC2)NCCn1ccc2ccccc21 95474475 BGDINFCGZCQXOW-UHFFFAOYSA-N 320.392 2.935 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)[C@H]2CC=CCC2)c1 96408230 YKTSVTKMQBECJR-OYHNWAKOSA-N 321.442 2.877 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C2CC=CC2)C1 97104006 NUWFVSSSGYKRPM-ZIAGYGMSSA-N 308.422 2.905 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2ccon2)c1Br 96500773 LCYONMJUCPIUMO-UHFFFAOYSA-N 317.164 2.546 0 40 DFAB Cc1occc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 96431482 QFJYGOVEOPKXBL-UHFFFAOYSA-N 313.332 2.885 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)C[C@H](CC)O1 333857984 PBOLIVALAYWMPX-STQMWFEESA-N 306.410 2.719 0 40 DFAB O=C(c1ccccn1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257313698 UTRNAJLRLIVSSE-QZTJIDSGSA-N 313.445 2.951 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C1 43993051 MAJWKPAEKFHCNF-BETUJISGSA-N 303.406 2.898 0 40 DFAB Cc1ccccc1-n1nc(C(=O)O)c(N2CCCCCC2)n1 256048021 QDJHUXZICYWOAK-UHFFFAOYSA-N 300.362 2.654 0 40 DFAB Cc1cccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)s2)n1 257332571 XXXJKEIIGKBCLM-CYBMUJFWSA-N 316.430 2.673 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCn2nccc2C1 253470839 ABTKVWCWLRMXEE-CYBMUJFWSA-N 323.318 2.576 0 40 DFAB O=C(c1cccnc1)N1CCC(c2nnc(-c3ccoc3)o2)CC1 85555869 CMBJRJZTVBFITE-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)NCCc2ccccn2)c1 44106534 BDCIRJYISFRMFW-UHFFFAOYSA-N 312.373 2.794 0 40 DFAB COCCOc1cc(C(=O)Nc2cc(C(C)(C)C)no2)ccn1 390828841 UVNYKCMKBPKIDF-UHFFFAOYSA-N 319.361 2.645 0 40 DFAB CC[C@H](C)N1C[C@]2(CCCN(Cc3csc(C)n3)C2)C1=O 585099480 MEYMKYQIMXMDDU-BLLLJJGKSA-N 307.463 2.674 0 40 DFAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3C3CCCC3)nc2n1 56033778 AQKPMBMNJXGCIZ-AWEZNQCLSA-N 313.405 2.536 0 40 DFAB CN(C)c1nc2sc(C(=O)OCc3ccno3)cc2s1 62279148 UXXVLZTVHBWXSO-UHFFFAOYSA-N 309.372 2.769 0 40 DFAB COc1ccc2c(c1)CCN2C(=O)Cc1noc2ccccc12 58716849 FHXWMNCIPLEFDT-UHFFFAOYSA-N 308.337 2.968 0 40 DFAB Cc1c(CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cnn1C 195555546 RKHIQCNLZCQKGF-WFASDCNBSA-N 322.453 2.606 0 40 DFAB Cc1cnc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 96499589 WUNNGHBGAADKID-GFCCVEGCSA-N 311.451 2.941 0 40 DFAB CC(C)CN[C@@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5643597 MWQBREWYWWRSPB-INIZCTEOSA-N 314.385 2.867 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)COc3ccccc32)c(C)c1 15354233 RIYJFGWZUBAQRD-UHFFFAOYSA-N 310.353 2.668 0 40 DFAB O=C1NC(=S)N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 16044924 PAOFUZXUAWTZSW-XFFZJAGNSA-N 304.758 2.945 0 40 DFAB Cc1nc(SCC(=O)NCc2ccco2)nc2ccccc12 16266628 RVMNYTGWKYMQCR-UHFFFAOYSA-N 313.382 2.940 0 40 DFAB Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@@H]3C)c(=O)c2c1 19219796 PVKHVPQESLXAED-GOEBONIOSA-N 312.413 2.770 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 19290552 OEFZERWRIUPKBK-INIZCTEOSA-N 320.396 2.988 0 40 DFAB CCN(CC)C(=O)N1CCN(Cc2cccc(OC)c2)C[C@@H]1C 19526252 UWWLQQAJGIZHAM-HNNXBMFYSA-N 319.449 2.663 0 40 DFAB COc1ccccc1CNC(=O)CCn1ccc2ccncc21 19570767 MSZFUFYPLAHBJC-UHFFFAOYSA-N 309.369 2.751 0 40 DFAB O=C(c1ccccc1Cl)N1CCCN([C@H]2CCSC2)CC1 1888844331 HRHQDZXJNOKNNW-ZDUSSCGKSA-N 324.877 2.993 0 40 DFAB O=C(NC1CN(c2ccccn2)C1)[C@@H]1CCCc2ccccc21 1888856567 WDLJJWAQVJMOPW-QGZVFWFLSA-N 307.397 2.507 0 40 DFAB COc1ccc(-c2nnc(CSc3cccc[n+]3[O-])o2)cc1 18267678 LRAZUNRDXMETAY-UHFFFAOYSA-N 315.354 2.671 0 40 DFAB COCCn1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)ccc1=O 31564073 KCLVQHPBFBFBPI-GOEBONIOSA-N 318.417 2.672 0 40 DFAB Cc1ccc(NC(=O)N2CCCN([C@H]3CCOC3)CC2)cc1C 1565522414 PJFDIIOXZIZHOS-KRWDZBQOSA-N 317.433 2.632 0 40 DFAB Cn1nc(-c2ccncc2)cc1CNC(=O)Nc1cccs1 1775966656 RZVFHJWRUKGVDV-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB CC(C)c1noc(CN2CCC(Oc3nccs3)CC2)n1 2086884397 LWCVEMFXNNWSPR-UHFFFAOYSA-N 308.407 2.693 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34857586 VDYVABAKTVYRMT-OIISXLGYSA-N 314.429 2.730 0 40 DFAB CC[C@H](NC(=O)CCN1CCSC1=O)c1ccccc1OC 40514168 DXNZFIUUKBKLMB-ZDUSSCGKSA-N 322.430 2.821 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)c(C(N)=O)c1 40501256 XSPAOOOQUAZTHW-QMTHXVAHSA-N 323.824 2.546 0 40 DFAB Cc1ccccc1CS(=O)(=O)Cc1noc(C(C)(C)C)n1 40528955 YFQYTOUITJKROQ-UHFFFAOYSA-N 308.403 2.791 0 40 DFAB Cc1ccc(NC(=O)/C=C/C(=O)O)c(NC(=O)c2ccccc2)c1 359506 GAQSQDBPVKDKDM-MDZDMXLPSA-N 324.336 2.827 0 40 DFAB NC(=O)[C@H]1CCN(c2nc(-c3ccccc3)c3ccccc3n2)C1 52393196 BOTNMRQEXNCYJS-AWEZNQCLSA-N 318.380 2.608 0 40 DFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(C)no1 32823680 FPKYJTTYEFFVEZ-UHFFFAOYSA-N 308.359 2.977 0 40 DFAB Cc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)n[nH]1 93656 YWDJPJMABMEHDV-UHFFFAOYSA-N 313.144 2.987 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12 52757016 ZJUDIYVGXSULDW-SNVBAGLBSA-N 300.749 2.874 0 40 DFAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccccc1 2618283 XTYFXHBSHMCTTE-UHFFFAOYSA-N 317.772 2.742 0 40 DFAB CC[C@H](C)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 76021811 UZCAAILBCKYHDJ-AAEUAGOBSA-N 308.809 2.998 0 40 DFAB COc1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1 4901498 OIBVEKVLTMJMRA-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB O=C1COc2cc(C(=O)Nc3ccc(F)cc3F)ccc2N1 22595141 NZVXEODBLBHUIU-UHFFFAOYSA-N 304.252 2.548 0 40 DFAB CC(C)Sc1nnc(CN2CCOCC2)n1-c1ccccc1 6346100 WNFDRVWQFUTEOF-UHFFFAOYSA-N 318.446 2.600 0 40 DFAB CCOC(=O)c1c(NC(=O)/C(C)=C\C(=O)O)sc(C)c1C 10272008 GIUZUAMLMAWGRO-SREVYHEPSA-N 311.359 2.511 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)C[C@@]3(CCSC3)C2=O)n1 84284727 ZUQBARIXWFUDJB-OAHLLOKOSA-N 324.471 2.823 0 40 DFAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NCc2cccnc2)C1 54540045 HTOZFAQKIDCJBQ-GJZGRUSLSA-N 318.465 2.637 0 40 DFAB C[C@H](NCC(=O)NCc1cccnc1)c1cc2ccccc2o1 97111354 DMPXWKBSTKWWID-ZDUSSCGKSA-N 309.369 2.795 0 40 DFAB CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc[nH]n1 50173273 MUYWPZGIHIKZRY-UHFFFAOYSA-N 323.400 2.515 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)Nc2nnc(C3CC3)s2)cc1 43359250 XKKPHBCOJIQLAU-LBPRGKRZSA-N 318.402 2.579 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 43417443 YGKCGFZAJVANEB-WCQYABFASA-N 310.419 2.790 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)oc1)[C@@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101159181 JKUIUOHKHIBIIS-FHVJEIPNSA-N 301.386 2.830 0 40 DFAB Cn1ccc(NC(=O)N2CCCN(CC3CCCCC3)CC2)n1 107056693 MIKSYJLDTQVUEY-UHFFFAOYSA-N 319.453 2.540 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)NCC(=O)Nc1ccccc1 56372166 USWDEPVXYLWYIM-ZDUSSCGKSA-N 315.373 2.539 0 40 DFAB O=C(O)[C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 35296555 MARJLWSAMPKWKH-JTQLQIEISA-N 316.170 2.885 0 40 DFAB O=C(NCCCC(=O)N1CCCc2cc(F)c(F)cc21)C1CC1 58224175 NAJDGMONNHBXQI-UHFFFAOYSA-N 322.355 2.550 0 40 DFAB C[C@@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 58202341 UVZZIFLTNHWRIK-SNVBAGLBSA-N 302.378 2.549 0 40 DFAB COc1ccc(NC(=S)NC[C@@H](c2ccco2)N(C)C)cc1 3330953 SXCXGYHJOMQXJD-AWEZNQCLSA-N 319.430 2.878 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](NC[C@@H]1CNc3ccnn3C1)CCO2 58300243 OJDVQOHIBGLKIS-GDBMZVCRSA-N 312.417 2.655 0 40 DFAB Cc1cc([C@@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)c(C)o1 58379606 JOHDJQZRWBSFRW-GFCCVEGCSA-N 310.357 2.968 0 40 DFAB CC(=O)Nc1ccc(CC(=O)N2CCc3sccc3C2)cc1 10923654 NFSLBOOZFWBOLI-UHFFFAOYSA-N 314.410 2.834 0 40 DFAB Cn1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1=O 28503973 BFKWEQPGIUVLPQ-UHFFFAOYSA-N 310.397 2.627 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N3C[C@H](C)OC[C@H]3C)c2)cs1 45448501 UCPKIDTWBRMSOF-ZJUUUORDSA-N 305.403 2.696 0 40 DFAB CC(C)(C)c1ncc(NC(=O)Cc2ccc3c(c2)OCO3)cn1 69737763 JZOWLXOZAOCEBZ-UHFFFAOYSA-N 313.357 2.684 0 40 DFAB CCCOC(=O)CSc1nnc2ccc3ccccc3n12 8614936 GIZTVXCUXNVTRA-UHFFFAOYSA-N 301.371 2.928 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 12937471 UMXJMAMCXRCGKB-WBVHZDCISA-N 318.417 2.521 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc2ncccc12 12928050 NQRZYLAZTLUVKE-UHFFFAOYSA-N 319.364 2.532 0 40 DFAB Fc1ccc(F)c(CNCc2ccc(-n3cccn3)nc2)c1 48710730 ZAYUQNVAOQSSHF-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1 3885511 CBBGPWPJNGICPR-UHFFFAOYSA-N 306.387 2.777 0 40 DFAB Cc1cccc(OCC(=O)N[C@H](CC(=O)O)c2ccccc2)c1 13224341 IVWMXEAGVKFKQO-MRXNPFEDSA-N 313.353 2.706 0 40 DFAB CCOc1ccc(C(=O)NCCCn2cccn2)cc1OCC 27928478 OUXHWGRUUKCROF-UHFFFAOYSA-N 317.389 2.501 0 40 DFAB Cc1sc2ncn(Cc3cccc(C(=O)O)c3)c(=O)c2c1C 5010103 IOKMBGWHEOYYPJ-UHFFFAOYSA-N 314.366 2.821 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCCCC2)cc1 13948940 JPKMACVXKOZBIG-UHFFFAOYSA-N 310.419 2.504 0 40 DFAB CCN1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 65491877 UXOFNKPUCMPSBT-LLVKDONJSA-N 300.855 2.935 0 40 DFAB CN(Cc1ccco1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 14057731 FBRXGWQQYNBRGD-ZDUSSCGKSA-N 302.305 2.503 0 40 DFAB O=C(NCCc1ccccn1)N1CC[C@H](Nc2ccccc2)C1 65513168 IDLQDIIZYUVMCQ-KRWDZBQOSA-N 310.401 2.520 0 40 DFAB CSc1nnc(SCc2nnnn2-c2ccccc2)s1 14122504 ZHDBQABTJFDYRX-UHFFFAOYSA-N 322.444 2.528 0 40 DFAB CCCCCNS(=O)(=O)c1ccc(Br)s1 6597380 DROUCDCBLVZWED-UHFFFAOYSA-N 312.254 2.979 0 40 DFAB CCO[C@H]1CCCN(C(=O)CCOc2ccc(C)cc2OC)C1 67059200 QYBCMBACALEMFU-HNNXBMFYSA-N 321.417 2.800 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncccn2)cc1 6910836 MQTSTTPEIDGBHH-NSHDSACASA-N 301.371 2.799 0 40 DFAB O=C(CN1CC2(CCCC2)c2ccccc21)NC1CCOCC1 83243892 KXYPYYWLAWKQQA-UHFFFAOYSA-N 314.429 2.614 0 40 DFAB C[C@H](NC(C)(C)CNC(=O)[C@H](C)n1ccnc1)c1ccccc1 68385353 ZJGTZWDAOWDFGC-GJZGRUSLSA-N 314.433 2.690 0 40 DFAB CCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2C(C)=O)C1 80976712 FMINACLAHHJVPV-CYBMUJFWSA-N 306.381 2.913 0 40 DFAB COC(=O)CN(C)c1nc(-c2ccsc2)nc2ccccc12 9484106 PYFJLJIIKOBIOT-UHFFFAOYSA-N 313.382 2.968 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc(OC)nc2)cc1OC 8017507 VTBUZAKDQOOJSP-UHFFFAOYSA-N 302.330 2.750 0 40 DFAB O=C(NC1CC1)c1ccc(OCc2cn3ccccc3n2)cc1 8281434 WUZNDAGJQMOGFL-UHFFFAOYSA-N 307.353 2.806 0 40 DFAB Cc1cc(C)n(C[C@@H]2CN(CCc3cccs3)CCO2)n1 69349882 VTLBCUQGAVFDJA-HNNXBMFYSA-N 305.447 2.505 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1 69492833 SYUNKKGSAGWDRE-NSHDSACASA-N 301.390 2.718 0 40 DFAB COc1ccc(Cc2noc([C@H](C)N3CCSCC3)n2)cc1 91583300 HTYUTWYJUNMRLY-LBPRGKRZSA-N 319.430 2.779 0 40 DFAB CC(C)(C)c1ccc(=O)n(CN2CCC[C@H](C(F)(F)F)C2)n1 96403649 RGFMYWLYCHOCFN-NSHDSACASA-N 317.355 2.773 0 40 DFAB Cc1n[nH]c(SCC(=O)N[C@H](c2ccccc2)[C@@H]2C[C@@H]2C)n1 96444735 GIWUTVPTZOGVFY-PSOPSSQASA-N 316.430 2.719 0 40 DFAB O=C(CCCc1ccc2c(c1)CC(=O)N2)NC[C@@H]1CC=CCC1 71847465 HOXVWHPNSXEKIF-OAHLLOKOSA-N 312.413 2.976 0 40 DFAB CCC(=O)N1CCCN(Cc2ccc(SC)c(OC)c2)CC1 71890244 HJHYOYVRJCNSGL-UHFFFAOYSA-N 322.474 2.861 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)c1 71865830 XPSMETNGVYMXFU-CQSZACIVSA-N 314.389 2.752 0 40 DFAB Cn1nnc2cc(C(=O)N3CCC[C@H]3Cc3ccccc3)ccc21 71847322 CGQIYACRMDDXEG-INIZCTEOSA-N 320.396 2.816 0 40 DFAB COc1cc(CNCc2ccc([C@H](C)O)cc2)cc2c1OCO2 71825322 KMZTVVANLIFLPX-LBPRGKRZSA-N 315.369 2.767 0 40 DFAB COCCCN(C)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 71833206 JNUJZBSGQRECAK-JTQLQIEISA-N 309.435 2.631 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3nc(C)ccc3o2)c1 71869998 UDNCWKQBIYVJME-CQSZACIVSA-N 324.384 2.946 0 40 DFAB Cc1n[nH]cc1CNC[C@H]1CCN(c2ccc(Cl)cc2)C1 71834591 BULIGDLVWVNDEQ-CYBMUJFWSA-N 304.825 2.988 0 40 DFAB CCn1cccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409252393 RPEMQHZMLIRMBH-LFIBNONCSA-N 309.369 2.909 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccn1 97019074 FPKXCOPDJSZQOK-KBPBESRZSA-N 303.406 2.934 0 40 DFAB Cc1sc2ncc(C(=O)N3CCC[C@H](C)[C@H]3C)c(=O)n2c1C 97034039 UDYWRDACPBYGHI-VHSXEESVSA-N 319.430 2.633 0 40 DFAB CN(C[C@H]1CCCN1C(=O)c1cncc(F)c1)c1ccccc1 97014575 BFFFOYJARMKACV-QGZVFWFLSA-N 313.376 2.962 0 40 DFAB Cc1cc(C(=O)NCc2nncn2C2CC2)c(C)n1C(C)C 72269955 AQSMEJOIDFFGAS-UHFFFAOYSA-N 301.394 2.542 0 40 DFAB c1ccc(-c2nccc(N3CCn4c(nnc4C4CC4)C3)n2)cc1 84564902 KCUMQIWMHBCISX-UHFFFAOYSA-N 318.384 2.633 0 40 DFAB CS[C@H]1c2c(cc(=O)[nH]c2-c2ccccc2C)C(=O)N1C 62716522 GDXDYJULOXZUDY-INIZCTEOSA-N 300.383 2.798 0 40 DFAB Cc1nc2ccc(NC(=O)c3ccc4nnc(C)n4c3)cc2o1 95393543 QGPFFUIRWXBEMV-UHFFFAOYSA-N 307.313 2.740 0 40 DFAB CCc1ccc(CNC(=O)Nc2cn(CC)ccc2=O)s1 95466948 RULOALLHTPKMKB-UHFFFAOYSA-N 305.403 2.814 0 40 DFAB CCc1nn(C)c(CC)c1CNCc1cccc2c1OCCO2 95974289 AICYRVLNDAWDMX-UHFFFAOYSA-N 315.417 2.606 0 40 DFAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(c2ccn[nH]2)CC1 95984106 LPNDWLGDJSMJFJ-CGTJXYLNSA-N 322.412 2.637 0 40 DFAB CN(C)c1ccccc1NC(=O)N1CCOC2(CCCC2)C1 89326828 RBCLODYRCYOMOR-UHFFFAOYSA-N 303.406 2.930 0 40 DFAB C[S@@](=O)c1ccc(CNc2cccc(-n3cnnc3)c2)cc1 89493227 GBQSTXYVXPYVOR-QFIPXVFZSA-N 312.398 2.617 0 40 DFAB C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(Cn3cccc3)cc2)C1 89894257 COXHOXSKZAYODS-QAPCUYQASA-N 312.413 2.769 0 40 DFAB CC(C)OC[C@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 89887779 GKZNWPOODQMIQJ-OAHLLOKOSA-N 317.433 2.528 0 40 DFAB C[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CCOC1 89904172 IZXCQGWIGNHZRQ-JQWIXIFHSA-N 312.207 2.533 0 40 DFAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC1 30756368 ZMBBYQYOKRRXKW-ZDUSSCGKSA-N 310.825 2.709 0 40 DFAB O=C(O)[C@H]1CCCN(c2cc(Nc3ccccc3F)ncn2)C1 217364459 ZIHKQXQHDMLMDD-NSHDSACASA-N 316.336 2.660 0 40 DFAB CCn1ccnc1[C@@H]1CCCCN1Cc1cnc(OC)nc1C 549614010 UFKJRYYQSWFNSQ-HNNXBMFYSA-N 315.421 2.737 0 40 DFAB O=C(c1cscn1)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72367662 UFBQGYXUGCNCOM-NSHDSACASA-N 312.398 2.724 0 40 DFAB CC(=O)N1CCC[C@@H](c2cc(Nc3ccccn3)nc(C)n2)C1 72360163 KNPRSCULBRSUMA-CQSZACIVSA-N 311.389 2.650 0 40 DFAB O=C(NC1CCCCC1)c1cccc(CN2CCOCC2)c1 30757605 UOTHCKVDOWOSCA-UHFFFAOYSA-N 302.418 2.581 0 40 DFAB CCN(Cc1ccccc1Br)C(=O)[C@@H](N)C(C)C 79420998 BZBDFNYAOTXPFD-ZDUSSCGKSA-N 313.239 2.781 0 40 DFAB CCN(CC)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1F 32611408 PUDVSYUBAQJIEE-LBPRGKRZSA-N 314.376 2.580 0 40 DFAB O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)c1ccco1 71195696 DKYGUNVNEVZALW-AWEZNQCLSA-N 308.341 2.668 0 40 DFAB Cn1ccc2cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc21 75611307 QRBDTFXGRGGVEE-VQIMIIECSA-N 312.413 2.946 0 40 DFAB biogenic CC(C)n1ncc2c1N=C(O)C[C@@]21C(=O)N(C)c2ccccc21 72404510 OTNROPZQOLUSQL-KRWDZBQOSA-N 310.357 2.718 0 40 DFAB C[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](c2ccco2)C1 75389369 HIWATKBKDYNSRA-ILXRZTDVSA-N 307.390 2.775 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NCC(C)C 224452553 YDMFSBZUODLKMP-CQSZACIVSA-N 320.433 2.595 0 40 DFAB O=C(NCCc1ccc(O)nc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 529368330 TUAUNHRTORSTTP-JKSUJKDBSA-N 314.360 2.779 0 40 DFAB COC[C@H](O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 195559818 STDCQZKLDOAFBD-TZMCWYRMSA-N 303.324 2.502 0 40 DFAB CC(C)(C)NC(=O)CCN1CCC[C@@H]1C[C@@H](O)c1ccccc1 195531560 NUQRSVQKGQBRCM-IAGOWNOFSA-N 318.461 2.879 0 40 DFAB CC(C)N(CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1)C1CC1 97234420 RMCCILCSCLXRMZ-INIZCTEOSA-N 319.453 2.519 0 40 DFAB C[C@@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)n1ccnc1 579362852 VBWAIWAHNKQBJF-MAUKXSAKSA-N 313.401 2.608 0 40 DFAB Cn1c(COc2ccc(Cl)cc2)nnc1SCCCO 97601713 YRDIADNNDYYQDO-UHFFFAOYSA-N 313.810 2.522 0 40 DFAB CCO[C@H]1C[C@H](OC(=O)c2ccc(C)[nH]c2=O)C12CCCC2 96420404 IQGRRMSBLHSMIO-KBPBESRZSA-N 305.374 2.578 0 40 DFAB CCCCSCCC(=O)Nc1ccccc1CC(=O)NC 96416411 YKZRACWALQCFDS-UHFFFAOYSA-N 308.447 2.837 0 40 DFAB Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96047176 CWWBLIRHEJZCPW-KRWDZBQOSA-N 316.380 2.701 0 40 DFAB COCCC1(CN2CCO[C@H]([C@H]3CCCO3)C2)CCCCC1 249782696 LNORNDXWJQEAPR-SJORKVTESA-N 311.466 2.853 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 245632652 QOXKXSVNMHEYSA-VMGRFDJRSA-N 318.392 2.604 0 40 DFAB Cc1c(NC(=O)NCc2ccccc2CC(C)C)nnn1C 529120593 SGQYUHNDUXLZFK-UHFFFAOYSA-N 301.394 2.644 0 40 DFAB C[C@@H]1Cc2cc(Cl)cc(C(=O)NCc3cccnc3)c2O1 252495676 OVOIAXCIJLFSTD-SNVBAGLBSA-N 302.761 2.988 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccsc1)c1ccc2c(c1)CCO2 90607232 NSQXUOQLRFVBAS-HNNXBMFYSA-N 316.426 2.716 0 40 DFAB O[C@]1(COc2cccc(F)c2)CCCN(Cc2ccncc2)C1 585269312 OUSZXELVFXPYTH-GOSISDBHSA-N 316.376 2.627 0 40 DFAB CO[C@H]1CCN(C(=O)c2cnco2)C[C@H]1Cc1cccc(F)c1 585274900 RACFUGAUBIDMPE-HIFRSBDPSA-N 318.348 2.534 0 40 DFAB CO[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1Cc1ccccc1 585269157 KXPPQQOQXIRBGO-ROUUACIJSA-N 310.397 2.944 0 40 DFAB C[C@H]1c2ccsc2CCN1CC(=O)N(C)Cc1ccco1 53150907 SDQJKPYNGPNYDD-LBPRGKRZSA-N 304.415 2.919 0 40 DFAB C1CCC(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1 69877736 CNABDBPVELAHHR-OAHLLOKOSA-N 304.438 2.691 0 40 DFAB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)NC2=S)cc1 5900228 DPRJUBZEKYQLRD-GXDHUFHOSA-N 314.366 2.941 0 40 DFAB Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccccc4)C3)o2)cn1 19239187 BUBSWGQIIWBXLR-OAHLLOKOSA-N 321.384 2.825 0 40 DFAB O=C(C1CCC1)N1CC[C@@H](c2nc(Cc3cccs3)no2)C1 19343787 OIVGEPBERSQQJK-GFCCVEGCSA-N 317.414 2.838 0 40 DFAB CCn1cnc2cc(NC(=O)c3cnn4cc(C)cnc34)ccc21 19578308 UBUVXBXBSGBYRU-UHFFFAOYSA-N 320.356 2.660 0 40 DFAB CCc1cccc2c(O)c(CN3CCN(CC)CC3)c(C)nc12 19793177 SBCNQLSHGJVRCM-UHFFFAOYSA-N 313.445 2.949 0 40 DFAB CO[C@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1ccccc1F 643914116 LGTPAOIVWWRVRX-AEFFLSMTSA-N 317.408 2.639 0 40 DFAB CC(C)[C@H](Cn1nccn1)NC(=O)C12CC3CC(CC(C3)C1)C2 238940541 VXZBOTUEAPEVIQ-KUNBBXKYSA-N 316.449 2.635 0 40 DFAB C[C@H]1CCCN(C(=O)CSc2nncn2-c2ccccc2)C1 19849018 JJFNUOLTCSCWJE-ZDUSSCGKSA-N 316.430 2.618 0 40 DFAB COc1ccc(NC2=CC(=O)N(c3ccc(C)cc3)C2=O)cc1 6266943 MKYHXISLRDVNOC-UHFFFAOYSA-N 308.337 2.873 0 40 DFAB COC(=O)c1ccc(C(=O)NCCSCc2ccco2)cc1 25049287 JKVWNBNQEBHYOD-UHFFFAOYSA-N 319.382 2.729 0 40 DFAB O=C(N1C[C@H]2CC[C@H]1c1cnc(NCC3CC3)nc12)C1(F)CC1 1565549512 SNYWMUZKWKVWRR-YPMHNXCESA-N 316.380 2.561 0 40 DFAB O=C(Cn1ccnc1)Nc1ccc(OC(F)(F)Cl)cc1 108742 VWJXZDQFWNIRPV-UHFFFAOYSA-N 301.680 2.690 0 40 DFAB O=C(/C=C\c1ccccc1)NC[C@@H]1CN(c2ccccc2)C(=O)O1 9067923 HPAQNBZIGJAPTJ-WFTPILKQSA-N 322.364 2.841 0 40 DFAB O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncn2)C1 575609975 DIYOPCQMOOXPHJ-OAHLLOKOSA-N 319.364 2.923 0 40 DFAB CCc1noc(CN2CCC[C@H]2c2ccc(OC)cc2OC)n1 40489633 GIHRMMIWCRPHCN-AWEZNQCLSA-N 317.389 2.986 0 40 DFAB CCSc1nnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1 31675564 HCHXSLYGYSIUMZ-RXMQYKEDSA-N 315.342 2.556 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 20902544 UUPGEMUVSFFEGM-CYBMUJFWSA-N 300.358 2.583 0 40 DFAB Cc1ccc([C@@](O)(CCNC(=O)c2ccco2)C(F)(F)F)o1 32827973 KWTYLRXVPXFIBS-ZDUSSCGKSA-N 317.263 2.751 0 40 DFAB CCn1ncc2c1CCC[C@H]2NCc1csc(COC)n1 76042844 XFSPIFRSUXXFNY-CYBMUJFWSA-N 306.435 2.673 0 40 DFAB COP(=O)(NC(=O)Nc1nc2ccccc2s1)OC 1659724 SSCBVRKQMZPNEP-UHFFFAOYSA-N 301.264 2.819 0 40 DFAB CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC 1672765 LJQWYEFHNLTPBZ-UHFFFAOYSA-N 308.422 2.946 0 40 DFAB in-man OCCN(CCO)c1cc(Cl)ccc1Oc1ccccc1 1690502 VXINYGDCCUCYKQ-UHFFFAOYSA-N 307.777 2.923 0 40 DFAB COc1ccccc1N1CC[C@H](CNc2nnc(C)s2)C1 77489752 OWNOHDGPNQFKDL-GFCCVEGCSA-N 304.419 2.794 0 40 DFAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCC1 78613274 JSLUDPVAECXOOV-UHFFFAOYSA-N 319.401 2.971 0 40 DFAB O=C1NC(=O)[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 2043261 LUDKHCBYFRDZCK-INIZCTEOSA-N 300.745 2.617 0 40 DFAB O=C(c1cccc(F)c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 4306797 KGOWKMTYMXZBNS-JJRVBVJISA-N 302.393 2.772 0 40 DFAB CC(C)Oc1ncc(C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1Cl 53386228 GVVQDWOVJOGCIK-ZIAGYGMSSA-N 324.808 2.916 0 40 DFAB O=C(NC1CCN(C(=O)Nc2cccnc2)CC1)c1ccccc1 53919899 TUBBVHKNIASLFK-UHFFFAOYSA-N 324.384 2.508 0 40 DFAB O=C(CNc1ccc(F)c(F)c1F)NCc1ccc(F)cc1 22907069 XWELMWNQYSSDJU-UHFFFAOYSA-N 312.266 2.971 0 40 DFAB CC(C)(C)OC(=O)NCCc1nc(Cc2cccs2)no1 69770202 VAROGOROXBTLPE-UHFFFAOYSA-N 309.391 2.789 0 40 DFAB CC(C)(C)n1nc(C(=O)Nc2ncccc2O)cc1C1CC1 42766099 NLZLFQGNQCILEV-UHFFFAOYSA-N 300.362 2.868 0 40 DFAB C[C@H](NC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2 42898851 PLSDQAIHHDBJCF-LBPRGKRZSA-N 324.384 2.527 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1COc2ccccc2O1 105699080 ZCLNEJFFXGCHFK-ZQDZILKHSA-N 301.386 2.769 0 40 DFAB Cn1nccc1C(=O)Nc1cnn(-c2ccccc2Cl)c1 106670809 ZIKJTKJVMYXNAP-UHFFFAOYSA-N 301.737 2.512 0 40 DFAB CCOC(=O)c1c(NC(=O)CC(C)=O)sc2c1CC[C@H](C)C2 1465320 VAAKKFQSSCHUFO-VIFPVBQESA-N 323.414 2.967 0 40 DFAB CN(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccco1 44366041 AQFVGTZVNPXZGA-HNNXBMFYSA-N 316.376 2.869 0 40 DFAB NC[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 44541024 JONSPUMJDLHSSA-LBPRGKRZSA-N 315.186 2.542 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccccc1C(=O)OC 12687209 QRLRAWBFDXNEPJ-UHFFFAOYSA-N 300.314 2.519 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cc(N)ccc2OC)c1 57340329 UPWPEZICYGAITD-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB O=C(Cc1csc(Cc2ccccn2)n1)Nc1ccncc1 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CC(C)(CNC(=O)[C@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1 71896526 JXFGJEUMIRRDGU-HOTGVXAUSA-N 318.461 2.958 0 40 DFAB CN(CC(=O)Nc1ccccc1C(N)=O)C1CCCCCCC1 83858906 SBGUZCXFNNNMES-UHFFFAOYSA-N 317.433 2.769 0 40 DFAB CC[C@@H](C)CS(=O)(=O)NCc1nc2ccccc2n1CC 71904718 RXEDKBDDCUXRQM-GFCCVEGCSA-N 309.435 2.522 0 40 DFAB COc1c(C)cnc(CN2CCC[C@@H]2c2noc(C)n2)c1C 72301239 ZAAIBMIDUVZRQL-CQSZACIVSA-N 302.378 2.736 0 40 DFAB COc1ccc(Cc2noc(-c3cc(C)no3)n2)cc1OC 84124550 JFDHTYBTWCPTSU-UHFFFAOYSA-N 301.302 2.641 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](CC(=O)O)c1cccs1 97017553 FMACTWHABQWVLM-KWQFWETISA-N 322.386 2.789 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(c1ccnc(C(C)(C)C)n1)CC2 97011948 YTMXJWUZSLLXEU-KBPBESRZSA-N 319.449 2.530 0 40 DFAB O=C(C[C@H]1CCCc2ccccc21)N[C@@H]1CCc2nccn2C1 72271689 LSLZVESVYSTVTP-HZPDHXFCSA-N 309.413 2.824 0 40 DFAB C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2nccs2)C1 72287459 XRFCZSXYTTYTPM-OLZOCXBDSA-N 317.414 2.712 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1COc1ncc(Cl)cn1 72203079 MFIHNSGPZRXYCN-NSHDSACASA-N 313.785 2.908 0 40 DFAB CC(=O)c1cccc(NC(=O)NCc2noc(C(C)(C)C)n2)c1 72289172 UYQAKLUYELKUOP-UHFFFAOYSA-N 316.361 2.891 0 40 DFAB Cc1ccccc1CCCN1CCN([C@H]2CCCN(C)C2)CC1 84695233 PINOKWHZEUKOJE-FQEVSTJZSA-N 315.505 2.639 0 40 DFAB CCCC1(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 95426238 LBSPIOVOWMVEHK-CJNGLKHVSA-N 312.479 2.921 0 40 DFAB FC(F)COc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccn1 95988188 GHCYFNAAOHLWSE-WQVCFCJDSA-N 324.371 2.773 0 40 DFAB CCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)[C@@H](C)C(C)C 95988327 PYLXLUKBMGCQOM-JTQLQIEISA-N 321.446 2.879 0 40 DFAB CC(C)OCCCNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C 75107610 AXJUHJQZDWJYFU-AEFFLSMTSA-N 318.461 2.796 0 40 DFAB CC(C)(C)OC(=O)N1CCC(CNc2ccc(N)cn2)CC1 67800734 WLHTUAVMBLSSFH-UHFFFAOYSA-N 306.410 2.723 0 40 DFAB CCCc1nn2c(=O)cc(COc3cccc(C)c3)nc2s1 20859067 CMCYLJSYQVJMHB-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N(C)CC3CCCC3)CC2=O)cc1 60211721 DQYXWRCSPRACPL-MRXNPFEDSA-N 314.429 2.997 0 40 DFAB O=C(NCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408721484 IQACAGFAZPIFDC-UHFFFAOYSA-N 319.364 2.533 0 40 DFAB COc1ccccc1NC(=O)NCCCOCC(F)(F)F 36396692 RLAKZQBWBVUHDE-UHFFFAOYSA-N 306.284 2.786 0 40 DFAB Cn1nc([C@@H]2CCCN(Cc3ccsc3)C2)c2nccnc21 72393846 DCDVTJNMPHGBLP-CYBMUJFWSA-N 313.430 2.804 0 40 DFAB Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)c[nH]c1=O 72218120 GKPVZHHNAUGTEJ-UHFFFAOYSA-N 308.378 2.561 0 40 DFAB Cn1nc([C@H]2CCCN(Cc3cccs3)C2)c2nccnc21 72393839 RAIQRCGVPMGWME-LBPRGKRZSA-N 313.430 2.804 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)cc1C 42646215 LTIWFKWOCLPCJB-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB O[C@@]1(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CCSC1 225578297 RGCXHMIPVWANKL-DLBZAZTESA-N 318.417 2.768 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCC[C@@H](C)C2)cc1C 225163846 NBULIUTZUDIGPP-OAHLLOKOSA-N 318.461 2.784 0 40 DFAB Cc1noc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 44454132 MJODGTQKZJQSJQ-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCCC2 96232180 FFMRTDZMSQRNON-UHFFFAOYSA-N 323.400 2.527 0 40 DFAB FC(F)(F)c1ccc(N2CC[C@@H](N[C@@H]3CCOC3)C2)cc1 96477765 MAPJBASFFCPZHH-CHWSQXEVSA-N 300.324 2.663 0 40 DFAB CC(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(CC1CC1)C2 96217310 FLPGSAOGWDODIZ-GOSISDBHSA-N 320.477 2.526 0 40 DFAB COc1ccc(C(=O)c2ccccc2C(=O)NCC(F)F)cc1 97237505 PUOJCCZEUNMHJG-UHFFFAOYSA-N 319.307 2.921 0 40 DFAB c1ccc2c(c1)CCCN2CCn1ccnc1-c1cnccn1 95453566 YHWIXBOUMQMHMP-UHFFFAOYSA-N 305.385 2.793 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(CCSCc2ccccc2Cl)C1 95725642 PYVFHFUNXIKNHY-LLVKDONJSA-N 313.806 2.506 0 40 DFAB O=C1CC[C@@H](C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)N1 97371002 YTFCWCIWSASAPA-RZEIDYGVSA-N 318.442 2.811 0 40 DFAB Cc1cc(CNC(=O)N2CCc3ccccc3[C@H]2CO)c(C)o1 95417176 ORNOYQOAHFMRHI-QGZVFWFLSA-N 314.385 2.698 0 40 DFAB CCc1ccc(-c2ccc(C(=O)N[C@H](C)Cn3cncn3)o2)cc1 96430623 IVDAXWOPKLZDDW-CYBMUJFWSA-N 324.384 2.919 0 40 DFAB CCO[C@@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 96420041 YGKFYGCOEVUCLO-GZMMTYOYSA-N 306.189 2.568 0 40 DFAB Cn1cc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)cn1 96046971 QXNPJKWVFSUOSX-SFHVURJKSA-N 314.433 2.501 0 40 DFAB CSc1ccc(NC(=O)N[C@H](C)C(=O)OC(C)(C)C)nc1 345222018 QXJXETYISWATDD-SECBINFHSA-N 311.407 2.655 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2ccc(F)cn2)nc(C)n1 257299505 RQIZUDUFUWXQSR-OAHLLOKOSA-N 301.369 2.698 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCC2CCCCC2)n1 257299285 RPKOGWZVKMMOHT-HNNXBMFYSA-N 305.422 2.979 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)no1 257292397 QLHCPAGMXHSOFQ-CYBMUJFWSA-N 316.405 2.754 0 40 DFAB CO[C@@H]1CCCOC12CCN(Cc1nccn1C(C)C)CC2 257297015 RFKAEJSYIYIHPX-OAHLLOKOSA-N 307.438 2.624 0 40 DFAB Cc1cc(C)nc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257317431 VJSQTKRBAVDIPC-KBOKABMXSA-N 323.396 2.707 0 40 DFAB Cc1cccc(CN2CCC[C@@H]2c2cncc(CN(C)C)n2)n1 257334693 YHAAORURRCUBFP-GOSISDBHSA-N 311.433 2.579 0 40 DFAB COc1ccccc1N1CCN(c2ccc(N)cc2OC)CC1 256051241 IJFIEHYUEKUNHI-UHFFFAOYSA-N 313.401 2.613 0 40 DFAB CN1CCCC[C@H](CNC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)C1 624245674 MLFMRNYWYTZYKV-KYJSFNMBSA-N 319.424 2.655 0 40 DFAB CC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c12 575444506 NLMATDJYFCBUNC-HZMBPMFUSA-N 319.405 2.791 0 40 DFAB Cc1nc(C(=O)N2CCC[C@@]3(CCN3CC(C)C)C2)cs1 585101843 ITPWSAQKDAKZRU-MRXNPFEDSA-N 307.463 2.788 0 40 DFAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCc1cnn(C)c1 55387820 UGVPMPDEIGUFNK-LBPRGKRZSA-N 305.809 2.754 0 40 DFAB C[C@@H](NC(=O)NCc1cn2ccsc2n1)c1ccccc1 60894354 KKVAWVRIVNITMZ-LLVKDONJSA-N 300.387 2.956 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1cc(C)ccc1C 13989754 OAJOYUDCIBEBDY-UHFFFAOYSA-N 304.419 2.954 0 40 DFAB COc1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc1 5506002 ZZEDZFDTPQXHRO-UHFFFAOYSA-N 313.353 2.511 0 40 DFAB O=C(c1nc2ccccc2s1)N1CC(Oc2cccnc2)C1 238973057 ZPAZFEIBFBDKOJ-UHFFFAOYSA-N 311.366 2.595 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056225037 WROKRYKWVIRRCD-OMPKRAJASA-N 316.376 2.801 0 40 DFAB CCCCC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)F)C1 4143606 DMSKQGMJOZXTGQ-CYBMUJFWSA-N 315.295 2.725 0 40 DFAB O=C(O)c1cc2cc(Br)cc(Cl)c2oc1=O 106679425 AXTUJDFNPOYIAM-UHFFFAOYSA-N 303.495 2.907 0 40 DFAB CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729679 UDYFTWYKMMUJGC-CWRNSKLLSA-N 323.820 2.996 0 40 DFAB Cc1cc(C)n(CCNC(=O)c2cc(-c3ccccc3)on2)n1 44158888 VRZMMWPYTBXNGI-UHFFFAOYSA-N 310.357 2.585 0 40 DFAB COCCNc1cc(C)nc2c(-c3ccccc3OC)cnn12 5345606 BQMNFZWVLZYZBA-UHFFFAOYSA-N 312.373 2.772 0 40 DFAB COc1cc(NCC(=O)NCc2ccc(F)cc2)cc(OC)c1 40461002 IFPDLLIBPWUZLT-UHFFFAOYSA-N 318.348 2.571 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccccc2)CC1 51129003 KXBYHGQXPIQERV-AWEZNQCLSA-N 312.417 2.826 0 40 DFAB Cc1cc(NC(=O)NCCCN2CCc3ccccc32)no1 32779560 PSOSCOPMOLQDPQ-UHFFFAOYSA-N 300.362 2.557 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)c(F)c1 32804230 HGKCFNHPBVVLLV-KCJUWKMLSA-N 318.270 2.530 0 40 DFAB COc1cc(OC)cc(N2CC[C@H](Nc3nc(C)ns3)C2)c1 84286894 YFTYDEPPEILSFL-NSHDSACASA-N 320.418 2.555 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2cnc(C)cn2)C12CCCCC2 76022548 AUTBWPIEYINDSY-HOTGVXAUSA-N 317.433 2.985 0 40 DFAB COCCn1c(C(=O)OC[C@H]2CCCO2)cc2ccccc21 76846898 PSGQJTVXRRWEIK-CQSZACIVSA-N 303.358 2.624 0 40 DFAB CC[C@H](CO)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 78571440 QDAAYXIHQJOSSM-SECBINFHSA-N 312.295 2.740 0 40 DFAB CS[C@@H](CNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1 78953684 PHHWZEJAFVPGQI-LBPRGKRZSA-N 322.821 2.745 0 40 DFAB O=C(Nc1n[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 79501941 ZQQYRTGPAFFVAL-UHFFFAOYSA-N 309.325 2.977 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1cccc(Cl)c1 6729348 MTBGZAOPOJSLPB-XWUBHJNHSA-N 307.777 2.703 0 40 DFAB Cc1cc(C)c(C(=O)O[C@H](C)COc2ccccc2)c(=O)[nH]1 97112944 VMHDUVJUXULSJD-CYBMUJFWSA-N 301.342 2.616 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@](=O)C2 8553323 QOMIHWZZTLWLPQ-QFIPXVFZSA-N 317.414 2.600 0 40 DFAB CN(Cc1ccsc1)C(=O)c1cccc(CS(C)(=O)=O)c1 23957806 RFHZKQQAGYHDNR-UHFFFAOYSA-N 323.439 2.565 0 40 DFAB COc1cc(O)cc2oc(=O)c(-c3ccc(O)cc3O)cc12 105741014 FTOHMMMSWYNATM-UHFFFAOYSA-N 300.266 2.585 0 40 DFAB biogenic CCc1noc(C)c1C(=O)N1CCc2cc(C(=O)OC)ccc21 55469235 CCKQGMDEMADXIX-UHFFFAOYSA-N 314.341 2.535 0 40 DFAB COc1ccccc1CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 12540433 GIDDYCDGWXVGNP-LBPRGKRZSA-N 309.369 2.991 0 40 DFAB CCCc1nc(CN2CCN(Cc3ccccn3)CC2)cs1 96305412 PIEUPOUXHDGXML-UHFFFAOYSA-N 316.474 2.808 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccnc1 108485735 QOMQLZIIURBUQG-BZPMIXESSA-N 303.362 2.547 0 40 DFAB Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccon2)c1C 119184525 VJLUGRFYLXYVMN-CQSZACIVSA-N 313.357 2.594 0 40 DFAB COCCCN(CCOC)C(=O)c1cc2ccc(Cl)cc2[nH]1 58230081 VXWCDPAVLKEDOE-UHFFFAOYSA-N 324.808 2.946 0 40 DFAB C[C@H](NC(=O)NCCc1ccc(Cl)s1)[C@@H]1CCCO1 44970894 BBACYFLKANRZBI-ONGXEEELSA-N 302.827 2.811 0 40 DFAB CC(C)(C)c1nnc(CN2CCN(Cc3ccsc3)CC2)o1 44914542 VAKKAGVSQYAHRB-UHFFFAOYSA-N 320.462 2.746 0 40 DFAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cnn1C 58392963 MFAYMDCGWFTDEJ-CVEARBPZSA-N 317.364 2.518 0 40 DFAB Cc1nccn1-c1ccc(CNC(=O)COc2ccccc2)cc1 20038298 FYEJQKVBWHRHIH-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB O=C(CCn1cncn1)Nc1ccccc1Cc1ccccc1 10817010 AEKJBDOPESTSJN-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB Cn1ccnc1SCC(=O)N(Cc1ccccc1)C1CC1 59408937 LFFGUMVFNIQROJ-UHFFFAOYSA-N 301.415 2.703 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCc2cccc3cccnc23)c1 11563343 XBWWVSNIBZKDRI-UHFFFAOYSA-N 307.353 2.738 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2N)cc1 3446138 ZSYAHADFRDKPHM-UHFFFAOYSA-N 319.744 2.971 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 12937458 UMXJMAMCXRCGKB-RDJZCZTQSA-N 318.417 2.521 0 40 DFAB COC(=O)c1ccc2c(c1)c(CCN)cn2C(=O)OC(C)(C)C 3884550 MWFFCULLCJMQFR-UHFFFAOYSA-N 318.373 2.712 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96432046 BVMQTWXIHLDRPG-LBPRGKRZSA-N 323.400 2.714 0 40 DFAB CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 92757666 SSGIXQYCMTUSTI-BJJXKVORSA-N 323.820 2.797 0 40 DFAB CC(C)Sc1ccccc1C(=O)N[C@H]1CCCCNC1=O 64865265 ZPFNBRTXQDQALJ-ZDUSSCGKSA-N 306.431 2.586 0 40 DFAB Cc1nnc(NC(=O)c2cc(-c3cccc(C)c3O)[nH]n2)s1 8973342 DQEOWFNNCYJWMA-UHFFFAOYSA-N 315.358 2.503 0 40 DFAB CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 13744983 ZSOMNCNRYZNOAE-HNNXBMFYSA-N 304.434 2.671 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 97198840 VICUCLVJLMNWBJ-LBPRGKRZSA-N 316.405 2.530 0 40 DFAB Cc1cc(SCC(=O)N2CCCC2=O)nc2ccccc12 6330593 QXULYAIIAPDUBG-UHFFFAOYSA-N 300.383 2.784 0 40 DFAB Cc1nc2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2n1C 65475521 QCZXMMWDFGFTFI-GFCCVEGCSA-N 308.385 2.900 0 40 DFAB CCOc1ccccc1OCCCC(=O)Nc1ccn(C)n1 5336053 IPUBZZLLXUYXGZ-UHFFFAOYSA-N 303.362 2.617 0 40 DFAB COC(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 6466038 KZXCXGZIZSFLGU-LBPRGKRZSA-N 305.374 2.689 0 40 DFAB Cc1ccc(S(=O)(=O)n2c(=O)oc3ccc(Cl)cc32)cc1 5451744 YGXURBYAQURZEM-UHFFFAOYSA-N 323.757 2.793 0 40 DFAB CC1=NN(C(=O)c2ccccc2)[C@@](O)(C(F)(F)C(F)(F)F)C1 409002476 NRHNSQQAANNIGB-NSHDSACASA-N 322.233 2.795 0 40 DFAB CC(=O)c1ccc(OCC(=O)c2ccc3c(c2)OCCO3)cc1 5654244 JZQVIRUCDDWSNZ-UHFFFAOYSA-N 312.321 2.922 0 40 DFAB Cn1ncc(N2CCC(Cc3ccccc3)CC2)c(Cl)c1=O 6719972 IZBIDRMPABGHDZ-UHFFFAOYSA-N 317.820 2.893 0 40 DFAB Cc1ccc(OCC(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 66640128 AWSDMRONJSRFHR-UHFFFAOYSA-N 320.418 2.525 0 40 DFAB CC(C)c1cc(NC[C@@H](O)c2cnn(C)c2)nc(C(C)C)n1 90095449 SBIWPNGFIYMFAO-CQSZACIVSA-N 303.410 2.602 0 40 DFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1 15436423 ROEBFBSRNKXYCX-UHFFFAOYSA-N 324.789 2.538 0 40 DFAB Cc1ccn2c(CN3CCO[C@@H](c4cccc(O)c4)C3)cnc2c1 93457746 UXVGTXGNNUMARO-GOSISDBHSA-N 323.396 2.922 0 40 DFAB CCCc1cc(=O)n2nc(NCc3ccccc3Cl)[nH]c2n1 9331732 YIJBDXRDLNBKLW-UHFFFAOYSA-N 317.780 2.636 0 40 DFAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)c1ccccc1 9365221 UUFDLOMJKINULE-HNNXBMFYSA-N 300.745 2.784 0 40 DFAB COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 7814314 FWBRWSZOIJRYBE-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB COc1ccccc1NC(=S)NCc1cn2ccccc2n1 16266030 KFPAGRIIQKTWTC-UHFFFAOYSA-N 312.398 2.830 0 40 DFAB Cc1csc2nc(CN(C)Cc3cccs3)cc(=O)n12 7987468 MRZMRLCSAHEAMV-UHFFFAOYSA-N 305.428 2.758 0 40 DFAB C[C@@H](O)CNC(=O)c1cccc(Oc2ncnc3ccccc23)c1 70036893 LZPVTOFKVNGVGJ-GFCCVEGCSA-N 323.352 2.533 0 40 DFAB CCC[C@H](C)C(=O)NC1CCN(CCc2ccncc2)CC1 69414511 MJVXZHJFUJLVCE-HNNXBMFYSA-N 303.450 2.641 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@H](C1CC1)N(C)C 69593295 BLLXYJKKTAPXFV-INIZCTEOSA-N 313.401 2.720 0 40 DFAB Cc1cc(C)cc(OCCNS(=O)(=O)Cc2ccccc2)c1 22496332 QPUOWZGVOZWLMU-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCCOc1ccccc1 69927291 FIMVAKBMPBNHFG-RBUKOAKNSA-N 316.445 2.931 0 40 DFAB Cc1cccnc1[C@@H](NC(=O)N[C@H](C)Cn1ccnc1)C(C)C 71909193 KNIIPCDGLZPQPZ-CABCVRRESA-N 315.421 2.672 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)no1 72231930 WLGZIGQKJIUQEL-LBPRGKRZSA-N 318.377 2.818 0 40 DFAB CCc1ccc(CNc2cc(N3CCC[C@H]3CO)ncn2)s1 72276122 RGFOZUYQDGSXCR-LBPRGKRZSA-N 318.446 2.674 0 40 DFAB C[C@H]1CN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)C[C@H]1N(C)C 84688903 XRVVKDIJLLZAFF-BFJAYTPKSA-N 304.434 2.744 0 40 DFAB COC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccc(C)o2)c1 95411061 CAGUXYZRGNXOJH-GFCCVEGCSA-N 316.357 2.935 0 40 DFAB CN1CCN(CCCN[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 95419538 JUUGNWICZUOLRR-VQTJNVASSA-N 315.505 2.625 0 40 DFAB COCCNC(=O)CN[C@H]1CCCc2ccc(C(C)C)cc21 95445298 WWPKDRHJHYGQIQ-KRWDZBQOSA-N 304.434 2.540 0 40 DFAB COC(=O)c1cc2ccccc2cc1NC[C@H](O)COC(C)C 95454343 HUDBMUSXENOKOM-HNNXBMFYSA-N 317.385 2.824 0 40 DFAB O=C(C[C@H]1C=CCC1)N[C@H]1CCN(c2c(F)cccc2F)C1=O 88237408 ROCRKZNJZSRKFH-FZMZJTMJSA-N 320.339 2.543 0 40 DFAB O=C(Nc1ncccn1)C1CCN(CCCc2ccccc2)CC1 95952961 BEAUXXZQFDTQIP-UHFFFAOYSA-N 324.428 2.760 0 40 DFAB Cc1c(C(=O)OCCN2CCCC2=O)cccc1-c1ccccn1 95974381 RZMAYJTTYTXXRV-UHFFFAOYSA-N 324.380 2.836 0 40 DFAB Cc1ccc(NC(=O)c2ncc(C(N)=O)cc2Cl)cc1F 89644047 WDHMKMOJVGFROQ-UHFFFAOYSA-N 307.712 2.534 0 40 DFAB COCCN(C)C[C@H]1CCCN1C(=O)Nc1ccc(C)s1 75413883 MQLRGMOZBBCBMJ-CYBMUJFWSA-N 311.451 2.631 0 40 DFAB COc1ccccc1-c1nc(CN2CCN(C)C[C@H]2C)cs1 89939304 PFRAULPCPCMIHQ-CYBMUJFWSA-N 317.458 2.955 0 40 DFAB CC1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 89919332 OVVOLOBNKMXHJB-OAHLLOKOSA-N 306.450 2.674 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cnc(Cl)s1 89930512 UMRYCMNZEPJYOI-OLZOCXBDSA-N 313.854 2.772 0 40 DFAB COc1ccc(OCC(=O)Nc2nncs2)c(C(C)(C)C)c1 27912619 ULGKIDMGZBADKG-UHFFFAOYSA-N 321.402 2.862 0 40 DFAB CCOc1cc(C(=O)NC)cc(Br)c1OCC 33851082 IASNXGJFUYUYPT-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB CC(C)[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(N)=O 79040683 NOBSSHQOHPYHLL-PRHODGIISA-N 317.216 2.723 0 40 DFAB CC(C)N1CCCC[C@@H](C2CCN(c3ncccn3)CC2)C1=O 72352902 VBIFATUGFXNTPR-INIZCTEOSA-N 316.449 2.730 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 123366301 OGTAAAIBHKSLGA-RKSYBCDHSA-N 306.446 2.930 0 40 DFAB CC(C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)O 130723949 RYDIBUVDGHTOPH-GMTAPVOTSA-N 309.328 2.971 0 40 DFAB C[C@H]1CCC[C@H](C)N(C(=O)CCOc2cccc(C(N)=O)c2)C1 81787879 PSFBMPRBFKOPHF-KBPBESRZSA-N 318.417 2.592 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H](C(=O)O)c1ccccc1 194132609 REQSIGLZBCJLGA-GOSISDBHSA-N 309.365 2.660 0 40 DFAB COC1([C@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)CCC1 332503764 XMFDMNSNFJAPFH-QMMMGPOBSA-N 301.745 2.872 0 40 DFAB C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(C(C)(C)C)s1 93384807 PVWBYOAEDIUMEO-LLVKDONJSA-N 303.493 2.911 0 40 DFAB COCCn1ccc2cc(C(=O)NCc3cccn3C)ccc21 95472859 RXSBLJCCDJGLRK-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB O=C(CCC(F)(F)F)NCc1cccc2c1OCCCO2 96482644 CWEIHIJPBPQMTB-UHFFFAOYSA-N 303.280 2.807 0 40 DFAB C[C@@H]1CC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)O1 92074208 ICAUXLUXNGIDRX-DYVFJYSZSA-N 321.392 2.901 0 40 DFAB O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(CC1CC1)C2 96159689 ZTHKIUZFUMZJQL-SFHVURJKSA-N 302.393 2.660 0 40 DFAB CC(C)(CCNC(=O)N1CCC(N2CCCC2=O)CC1)C1CC1 334073216 ILIGZVGLVFZQMW-UHFFFAOYSA-N 321.465 2.609 0 40 DFAB FC(F)(F)c1ccnc(N2CC[C@@]3(CCN3CC3CC3)C2)n1 96075982 IAVZOCKTIHTILV-CQSZACIVSA-N 312.339 2.560 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H](NC2CCSCC2)C1 95351249 GKDQUUAQUMOTOC-MRXNPFEDSA-N 304.459 2.776 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181877 QFPMOCQNLXYILG-GOEBONIOSA-N 306.381 2.652 0 40 DFAB Cn1c(CN2CCO[C@H]3CCC[C@H]32)nc2cc(Cl)ccc21 230082121 VWLMBJAYSHKBIG-CABCVRRESA-N 305.809 2.980 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Cc1ccccc1O 96411478 JHSJYIAKLYRPGA-WMLDXEAASA-N 305.418 2.892 0 40 DFAB CCOC[C@@H]1CCC2(CCN(C(=O)C3=CCCCC3)CC2)N1C 96207725 KIXIBONQUDPTIE-KRWDZBQOSA-N 320.477 2.979 0 40 DFAB NC(=O)[C@H](NCc1ccccc1OCC1CC1)c1ccccc1 96417569 FONIAQCYQVZXCW-GOSISDBHSA-N 310.397 2.792 0 40 DFAB O=C(c1ccccn1)N1CCO[C@H](Cc2cccc(Cl)c2)C1 257276000 NRXYMSKHDOINPZ-OAHLLOKOSA-N 316.788 2.819 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(C)cn1C 257272727 NDODWKNMJNJQEP-ZDUSSCGKSA-N 302.378 2.565 0 40 DFAB C[C@@H](CC(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1 57448276 ADEMNSOIBUSECA-YVEFUNNKSA-N 314.360 2.662 0 40 DFAB NC(=O)NC(=O)CCCSc1nc2cc(Cl)ccc2o1 60381764 BFEIZKIOVWUTKU-UHFFFAOYSA-N 313.766 2.548 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CCC(=O)O 89522436 XHORLCOKDXNPMZ-UHFFFAOYSA-N 307.781 2.741 0 40 DFAB CCCNC(=O)CSc1nnc(Cc2ccccc2)n1CC 5430216 RLBMJBZZIIXQOS-UHFFFAOYSA-N 318.446 2.507 0 40 DFAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)CCC2 5106863 YMQURLMGRORFFS-UHFFFAOYSA-N 310.349 2.707 0 40 DFAB CCCc1ncc(CN2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cn1 12242188 ZXLVXWKCINQVTC-SJORKVTESA-N 322.412 2.664 0 40 DFAB CCN(CC)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 12748917 MBODZKPYYHTVSA-UHFFFAOYSA-N 324.446 2.694 0 40 DFAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccccc2)NN1C 16292875 OFARMGQZWLUNAO-SFHVURJKSA-N 308.385 2.853 0 40 DFAB Cc1ccc(C2(CN3CCN(Cc4ncc[nH]4)CC3)CC2)cc1 19208409 MFAVPNQLZKLRPK-UHFFFAOYSA-N 310.445 2.568 0 40 DFAB CC[C@@H](NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1 19500519 ZBWPJJWTCWSYEM-MRXNPFEDSA-N 324.384 2.927 0 40 DFAB COc1ccc2sc(NC(=O)CCCn3ccnc3)nc2c1 19563719 XBZIGNBACOPKET-UHFFFAOYSA-N 316.386 2.920 0 40 DFAB O=C(c1cc[nH]c(=O)c1)N1CCS[C@H](c2ccccc2)CC1 206988718 KFKDKANUOBLNAX-HNNXBMFYSA-N 314.410 2.695 0 40 DFAB COCCN(CC(F)F)C(=O)c1cnc2c(C)cccc2c1O 163195785 CPQIFXKONOFPJO-UHFFFAOYSA-N 324.327 2.603 0 40 DFAB Cc1nnc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c2ccccc12 1889125156 SIGQTLDQMGOPCR-HUUCEWRRSA-N 308.429 2.859 0 40 DFAB O=C(NC[C@]1(O)CCCc2sccc21)c1ccc(F)c(F)c1 1889125162 VYKUHTQTCRXECX-MRXNPFEDSA-N 323.364 2.980 0 40 DFAB C[C@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cncn1 29759862 ZWTSBJIPGOKHGF-BXKDBHETSA-N 322.821 2.846 0 40 DFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCCN1 953030376 GUZVNJABJVYLEF-LJQANCHMSA-N 309.413 2.549 0 40 DFAB O=C(C1CCCC1)N1CCN(Cc2nc(C3CC3)cs2)CC1 38890580 YIWKPZKYTAKVIQ-UHFFFAOYSA-N 319.474 2.855 0 40 DFAB Cc1ccc(-c2nc(C#N)c(NCCCN3CCCC3=O)o2)cc1 3293045 ABWZQAISJRVYRA-UHFFFAOYSA-N 324.384 2.946 0 40 DFAB COC(=O)c1c(NC(=O)c2ccno2)sc2c1CCCC2 9625210 JEZHHDJADVUBNO-UHFFFAOYSA-N 306.343 2.654 0 40 DFAB Cc1ccc2nc(C)c(NC(=O)c3ccccc3F)c(=O)n2c1 11027522 VUBBMFQVHTUDLN-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB O=C(CSc1nnnn1-c1ccccc1)c1cccc(F)c1 32765230 HTUPSJQPCOLEPH-UHFFFAOYSA-N 314.345 2.776 0 40 DFAB O=C(NC[C@H]1CCCO1)c1csc(Cc2ccccc2)n1 40088756 DJYOTBNFRASDHG-CYBMUJFWSA-N 302.399 2.643 0 40 DFAB Cc1ccc(O)c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 40070892 OLASQMPGQWBEGL-CQSZACIVSA-N 304.415 2.795 0 40 DFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccccc1 40466289 FZOXGOJPNFKJHM-AWEZNQCLSA-N 318.442 2.570 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccncc2)C1 40488852 FNHNTXPLLRNPEF-GFCCVEGCSA-N 305.378 2.667 0 40 DFAB COc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 20543729 FWXBVHDAOZPBBU-UHFFFAOYSA-N 303.406 2.787 0 40 DFAB Cc1c([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cnn1C 41133143 DLFQWTBUHFHBPU-XEZPLFJOSA-N 322.453 2.684 0 40 DFAB CCOC(=O)c1cc(OC(C)=O)c2ccc(OC)c(OC)c2c1 111804 QYGUJJPMFIFXJL-UHFFFAOYSA-N 318.325 2.959 0 40 DFAB CCOC(=O)CSc1nnc(COc2ccccc2)n1CC 419262 BVXGGBNUBQWKHZ-UHFFFAOYSA-N 321.402 2.532 0 40 DFAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNCC(F)(F)F)C1 76041868 XSLSKUKLUQEUSH-GWCFXTLKSA-N 318.314 2.887 0 40 DFAB Cc1noc(CCCC(=O)Nc2ccc3c(c2)C(=O)CCC3)n1 79022225 YAZYUGZSOURPHV-UHFFFAOYSA-N 313.357 2.858 0 40 DFAB O=C(CN[C@H](c1cccc(Cl)c1)c1ccccn1)NC1CC1 79111152 GBXSSNSOFLQUTO-QGZVFWFLSA-N 315.804 2.693 0 40 DFAB O=S(=O)(Cc1nncc(-c2ccccc2)n1)c1ccccc1 3851397 VDYUCRIOSBJDNW-UHFFFAOYSA-N 311.366 2.513 0 40 DFAB biogenic CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4977020 RPCCBRUFBWOYIQ-AWEZNQCLSA-N 302.418 2.961 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)[C@H](C)CCc1ccccc1F 96430646 KDGHVJGXHZQORZ-KGLIPLIRSA-N 320.408 2.522 0 40 DFAB O=S(=O)(NCCSCc1ccco1)c1ccc(F)cc1 6528158 QLRXUTFHVGZFRA-UHFFFAOYSA-N 315.391 2.630 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H]1C 22597015 WRHXZMCZFCSTGI-WZRBSPASSA-N 302.374 2.572 0 40 DFAB Cc1nc(CS[C@H]2CCCN(c3cccc(F)c3)C2=O)no1 96406742 ZUPZVIFFLXPMLA-ZDUSSCGKSA-N 321.377 2.946 0 40 DFAB CC(C)(C)c1cc(NC(=O)c2cccnc2)n(-c2ncccn2)n1 103967837 QPAQZXFJDBKISB-UHFFFAOYSA-N 322.372 2.607 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1cccs1 47197271 NNQBNKYBVDMQKW-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCCC1 23160162 UQRBNJGHKVNVBX-QGZVFWFLSA-N 320.408 2.505 0 40 DFAB CCn1cc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c(C)n1 12394276 JUYPSWYUJCLWSK-UHFFFAOYSA-N 314.320 2.901 0 40 DFAB COc1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)cc1 12391005 IIYXFWJHKGQDLI-UHFFFAOYSA-N 303.321 2.946 0 40 DFAB CC(=O)NC(=S)Nc1cccc(NC(=O)c2cccs2)c1 9064207 WTYHCTMODGLBEW-UHFFFAOYSA-N 319.411 2.833 0 40 DFAB C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(F)cc1 24992764 OQKNSMTZTRNPAK-GFCCVEGCSA-N 315.348 2.825 0 40 DFAB CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 1466704 WGNCJNLHDKFZQK-ZDUSSCGKSA-N 322.364 2.724 0 40 DFAB CC(C)Oc1ccc(NC(=O)NCCc2cnn(C)c2)c(F)c1 52265572 BWQHDHHRMDXBHT-UHFFFAOYSA-N 320.368 2.711 0 40 DFAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1 25765822 IDMHUAZVOMOTPS-ZDUSSCGKSA-N 305.399 2.876 0 40 DFAB Cn1cc(Nc2cccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)c2)cn1 107509349 CHWHHIKRNBAYAW-OWCLPIDISA-N 312.373 2.670 0 40 DFAB CO[C@H](C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)c1ccccc1 108169162 PXYIWNIBTYHUIK-XHSDSOJGSA-N 305.418 2.630 0 40 DFAB Cc1cc(NC(=O)CN2CCCc3cc(F)cc(F)c32)on1 26726695 DHTOINNTVXYALZ-UHFFFAOYSA-N 307.300 2.653 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3273054 JTHKXJDMXGFXMU-YOEHRIQHSA-N 315.413 2.667 0 40 DFAB CN1C(=O)c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2C1=O 108893205 JIHHFFNEROBKCH-SRVKXCTJSA-N 312.369 2.677 0 40 DFAB Cc1cc(CN2CCN(C(=O)C[C@@H]3CCC[C@H](C)C3)CC2)on1 69922494 ZXIANRSKUWEAAX-GOEBONIOSA-N 319.449 2.844 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N[C@H](C)CCc1ccccc1)C(=O)O 12662221 LLAGBWVHCRZXMQ-GUTXKFCHSA-N 306.406 2.806 0 40 DFAB biogenic COc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)c(OC)c1 58178472 CISRIOYFHINRQZ-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 58159322 CJEGRFVGHSKPCU-DZGCQCFKSA-N 304.459 2.661 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)CCC2CCCC2)nc1 58231653 BJBORVBZXGWGTO-UHFFFAOYSA-N 303.406 2.805 0 40 DFAB CCOc1ccc(Cl)cc1NC(=O)CCCNC(=O)C1CC1 58226606 URQFNSVNTGYMRE-UHFFFAOYSA-N 324.808 2.984 0 40 DFAB CC(=O)c1ccc(N2CCN(c3ccccc3C(=O)O)CC2)cc1 12632890 WRMBZOZKJYBONS-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB CCc1nn2c(=O)cc(CN(C3CC3)[C@@H](C)C(C)C)nc2s1 44950134 MVIMMZRPYMYHHA-NSHDSACASA-N 320.462 2.722 0 40 DFAB CCOc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 58326062 KWYLHJSQWDNFQC-MRXNPFEDSA-N 302.418 2.786 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1 28037586 POBQODDYFBEXAL-UHFFFAOYSA-N 319.361 2.523 0 40 DFAB CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)C1 58403790 ADMHPWAYYSDDJG-ZDUSSCGKSA-N 324.446 2.710 0 40 DFAB O=C(CCSc1nnnn1C1CCCC1)Nc1ccccc1 58492057 DIPFJNQEVPCZHO-UHFFFAOYSA-N 317.418 2.909 0 40 DFAB Cc1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 11591684 PITZYMBLRJPKMN-IBGZPJMESA-N 322.364 2.725 0 40 DFAB COc1cccc(C[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1 2583012 OIRZRJJQGUJLHQ-MRXNPFEDSA-N 309.362 2.606 0 40 DFAB O=C1CN(C(=O)Cc2ccccc2Cl)c2ccccc2N1 12932246 YKYXEFJACGWWMM-UHFFFAOYSA-N 300.745 2.868 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccccc1)C2=O 13061726 RUXBWDRZDPQUSY-RDTXWAMCSA-N 315.417 2.577 0 40 DFAB Cc1occc1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 48956705 JZRHHWBCXLSYEP-MRXNPFEDSA-N 312.369 2.682 0 40 DFAB Cc1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1 13188429 JVGMBOCFXXAAAK-UHFFFAOYSA-N 302.355 2.819 0 40 DFAB Cc1ccnc(SCc2cc(O)n3c(n2)nc2ccccc23)n1 18223161 BSUHCFPRGFXKJI-UHFFFAOYSA-N 323.381 2.979 0 40 DFAB COCCCNC(=O)c1c[nH]c2ccc(Br)cc12 70705236 GHODNPVQYMSIGD-UHFFFAOYSA-N 311.179 2.697 0 40 DFAB CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 13744981 ZSOMNCNRYZNOAE-OAHLLOKOSA-N 304.434 2.671 0 40 DFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccs1 8936071 ZBCSCWBUHFNPHI-UHFFFAOYSA-N 318.398 2.858 0 40 DFAB Cc1nccn1-c1cncc(N[C@H](C)c2ccc3c(c2)OCO3)n1 92886802 MPLUUUSXKPFVMB-LLVKDONJSA-N 323.356 2.873 0 40 DFAB C[C@@H](NC(=O)CC1CCCC1)C(=O)N[C@H](C)c1ccccc1 65563168 AQCWQHMUDAFJDJ-ZIAGYGMSSA-N 302.418 2.949 0 40 DFAB COc1ccnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 14309448 HNFKPUSEUVUZLH-GFCCVEGCSA-N 309.373 2.746 0 40 DFAB COC(=O)Nc1nnc(SCCOc2ccccc2)s1 4694987 MYRZFJOGTDQQFT-UHFFFAOYSA-N 311.388 2.888 0 40 DFAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 4732054 IGBZLABTWDTRRH-JTQLQIEISA-N 319.361 2.582 0 40 DFAB CCOc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3C)C2=O)cc1 19533464 MLPVBTRSXSOQKB-BBRMVZONSA-N 316.401 2.592 0 40 DFAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N1CCCCCC1 7062154 CPUGIWVDKZQZFD-LBPRGKRZSA-N 315.373 2.511 0 40 DFAB O=C(Nc1ncnc(N2CCCCC2)n1)c1ccc(Cl)cc1 22607134 INUYGIZGYVKLPA-UHFFFAOYSA-N 317.780 2.768 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCOc1ccccc1 7457548 RRHDOTGZGKQSIY-NVXWUHKLSA-N 304.434 2.692 0 40 DFAB O=C(OCCn1c(=O)oc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1 68153162 NZFNAKAKAVNLHA-HUUCEWRRSA-N 323.348 2.941 0 40 DFAB O=C(Cc1ccccc1F)NCCc1nc2ccc(F)cc2[nH]1 80939285 XPGVJGXCNJKACU-UHFFFAOYSA-N 315.323 2.743 0 40 DFAB COC(=O)c1ccc(CNC(=O)CSc2ccccc2)cc1 9390203 HPOJIUZLULGAJW-UHFFFAOYSA-N 315.394 2.882 0 40 DFAB O=C(NCCCO)Nc1cccc(-c2ccc3c(c2)CCO3)c1 91033030 CKCXFPDYOOPMER-UHFFFAOYSA-N 312.369 2.792 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 8037577 WMTGOQBPPBVHDL-MRXNPFEDSA-N 309.365 2.745 0 40 DFAB O=C(Nc1ccccc1Cl)N1CCC(C2OCCO2)CC1 69200848 DAIMXBCIMURENN-UHFFFAOYSA-N 310.781 2.957 0 40 DFAB CCCCn1nc(C)c(CNCCn2cc(C)cn2)c1Cl 70008300 SBGKRQQZZYIQLB-UHFFFAOYSA-N 309.845 2.940 0 40 DFAB O=C(NCc1ccco1)C1(c2ccc(F)cc2)CCOCC1 16985897 KKRRPJDJVYQMIK-UHFFFAOYSA-N 303.333 2.783 0 40 DFAB CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 69323750 BROCVFMPIFOQBX-DLBZAZTESA-N 324.428 2.808 0 40 DFAB CN(C)C[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 69773416 XFCNBKUESVHECO-JTQLQIEISA-N 323.746 2.521 0 40 DFAB C[C@@H](OCC1CC1)C(=O)NCc1nc2cc(Cl)ccc2[nH]1 69807922 GCMABNJYJVINON-SECBINFHSA-N 307.781 2.648 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2ccc(C)s2)c1 72333991 QTOOKLQDDOXFLL-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)sc2ccccc12 71829745 AJYLGLORGOFQNN-PWSUYJOCSA-N 316.426 2.936 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCc2ccc(F)cc21 71882973 ZHQJDGUWVBBIGZ-AWEZNQCLSA-N 322.380 2.844 0 40 DFAB O=S1CCN(Cc2ccc(Cl)cc2Br)CC1 71905285 RSAQMBFTISIUBC-UHFFFAOYSA-N 322.655 2.667 0 40 DFAB Cc1occc1CNC(=O)NCc1cccc(-n2cccn2)c1 71910273 XCFKWQSPAZSNND-UHFFFAOYSA-N 310.357 2.773 0 40 DFAB CN1Cc2cc(C(=O)c3cc(Cl)ccc3O)cnc2NC1=O 9644644 CAKWUZSJAICXES-UHFFFAOYSA-N 317.732 2.649 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cn(C)c2ccccc12 97379429 BMHIISIWRORIKO-SFHVURJKSA-N 323.396 2.731 0 40 DFAB O=C(NC[C@H]1CCCO1)N[C@@H](c1ccccc1)c1ccncc1 72255195 RVHOEAQAYUFJNI-SJORKVTESA-N 311.385 2.649 0 40 DFAB CC(C)N(CCNC(=O)[C@@H](c1ccccc1)N(C)C)C(C)C 84597263 MXOAHEQCJGQNKK-QGZVFWFLSA-N 305.466 2.524 0 40 DFAB CC(C)COC[C@@H](C)NC(=O)c1ccc2c(c1)OCCCO2 84544410 UJZDVZPMAXFWOF-CYBMUJFWSA-N 307.390 2.639 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 95395153 PVFVMUOIAXZUEH-INMHGKMJSA-N 324.428 2.900 0 40 DFAB Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)oc1C 95445869 LRULBSRCXAQOCR-UHFFFAOYSA-N 316.401 2.806 0 40 DFAB COC(=O)Cc1cccc(NC(=O)N2CCc3ccccc3C2)c1 95418865 OWDDWYOOJKMKFF-UHFFFAOYSA-N 324.380 2.992 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCCC1 95458955 UGEXDIDVWQTPGU-INIZCTEOSA-N 319.449 2.907 0 40 DFAB COc1ccc2nc(C)nc(NCc3nnc(C4CC4)n3C)c2c1 95467595 UPUDPKPSGVMKIH-UHFFFAOYSA-N 324.388 2.565 0 40 DFAB Cc1ccccc1OCCNC(=O)N1CCC2(CCOCC2)C1 98014425 MNQCGHPWRTZJFC-UHFFFAOYSA-N 318.417 2.586 0 40 DFAB C[C@H](O)[C@H](C)S[C@@H]1CCN(c2c(F)cccc2F)C1=O 88500984 FJPIDJLBJUSSIA-HOTUBEGUSA-N 301.358 2.573 0 40 DFAB c1ccc2oc(N3CCC(c4nnc5n4CCC5)CC3)nc2c1 95953910 SCXQDDPRYHVOLZ-UHFFFAOYSA-N 309.373 2.750 0 40 DFAB C[C@H](NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1)C1CCC1 95943351 FGUCJNPNMFMQHY-GJZGRUSLSA-N 316.449 2.658 0 40 DFAB CN(C)CC(=O)Nc1cccc(CNc2ccc(Cl)cn2)c1 89314178 ARZBYMSVANSMJN-UHFFFAOYSA-N 318.808 2.847 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1n[nH]c2ccccc12 75129942 BHNKLJZQYWJCAN-OAHLLOKOSA-N 323.400 2.891 0 40 DFAB Clc1ccccc1-c1nc(CNCCn2cccn2)co1 75133230 VDHALGUZLJNMJU-UHFFFAOYSA-N 302.765 2.981 0 40 DFAB O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccc1 306136290 POYRUPBRYPGQPQ-RBUKOAKNSA-N 321.424 2.779 0 40 DFAB O=C(NCC1CCc2ccccc2CC1)[C@@H]1CCc2nccn2C1 529609590 JBFOCCRQAZIOSD-GOSISDBHSA-N 323.440 2.757 0 40 DFAB O=C(O)C1=Cc2ccccc2O[C@@]1(OCCF)C(F)(F)F 217810024 YNPJHSQXEYHEPB-GFCCVEGCSA-N 306.211 2.792 0 40 DFAB Cc1csc(CCNC(=O)c2ccc(Br)o2)n1 31849130 LMGKXPKBXFOWBP-UHFFFAOYSA-N 315.192 2.780 0 40 DFAB CCN1CCN(c2ccc([C@@H](O)c3ccccc3)c(C)n2)CC1 72224677 PEHYJGCEWRHECM-IBGZPJMESA-N 311.429 2.614 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1 70639457 RKXLFXIFCZDILR-INIZCTEOSA-N 318.804 2.743 0 40 DFAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(Cl)ccc1Cl 43503579 NLSYQXCALDHHRW-LBPRGKRZSA-N 320.197 2.684 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1 44883298 YWKPJKLGXJZKRH-YVEFUNNKSA-N 313.353 2.712 0 40 DFAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1C 225903813 CUFKBUBDTHEWBV-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB CC[C@@]1(CO)CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 190256139 ZSODLDIKFKQYMR-SFHVURJKSA-N 316.401 2.974 0 40 DFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 222992163 AITFAYLYCGAUIJ-KBPBESRZSA-N 319.455 2.762 0 40 DFAB O=C(CSCc1ccccc1)NCCn1ccnc1C1CC1 225566446 RHBYRMZQEIYGLQ-UHFFFAOYSA-N 315.442 2.810 0 40 DFAB Cn1nc(OCCCC(=O)NCCC2CC2)c2ccccc21 227154093 LRBVHVPRBBJEAY-UHFFFAOYSA-N 301.390 2.649 0 40 DFAB NC(=O)c1cccc2cn(-c3ccc(Br)cc3)nc12 88240352 IGFSZCSGLMYWNE-UHFFFAOYSA-N 316.158 2.887 0 40 DFAB CCCCCNC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736560 NVRZOVAZNDPCJX-UHFFFAOYSA-N 306.793 2.961 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCCc2c1cnn2C 47491066 VQSKMPNVWVITFW-KRWDZBQOSA-N 322.412 2.946 0 40 DFAB COc1ccc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c(F)c1 330620088 ZVBQOEDQUHTQAJ-UHFFFAOYSA-N 317.364 2.652 0 40 DFAB C[C@@H](Nc1cncc(Cl)n1)c1ccc(-n2cncn2)cc1 96453227 WGSMWLSCDVIJFD-SNVBAGLBSA-N 300.753 2.884 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 230065413 HGMMGGZTHWZAAQ-UTUOFQBUSA-N 319.323 2.543 0 40 DFAB O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COCC2CCC2)C1 96206870 BPCXWHSLCMVLHA-NVXWUHKLSA-N 321.442 2.653 0 40 DFAB c1ccc2nc(NC[C@H]3COC4(CCOCC4)O3)ccc2c1 96494587 QDWIPPJZYYEBAF-AWEZNQCLSA-N 300.358 2.569 0 40 DFAB C[C@@H](CNc1ncnc2cc(F)c(F)cc12)Cn1ccnc1 96429199 VQYSTHGNNHTNNY-JTQLQIEISA-N 303.316 2.853 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)c2cccs2)c1 96408254 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CN(C)Cc1ccc(C(=O)N2CCC(c3cnccn3)CC2)cc1 257318269 VNENMPSITNWQTO-UHFFFAOYSA-N 324.428 2.558 0 40 DFAB CC(=O)Nc1ncc(-c2cccc([C@@H]3CCCNC3)n2)s1 257198222 WOXPXRRCAJCDBV-LLVKDONJSA-N 302.403 2.631 0 40 DFAB O=C(Cc1ccc(F)c(F)c1)N1CCC[C@H]2NCCCC[C@@H]21 257267724 MINVWLXOQYHSNZ-CVEARBPZSA-N 308.372 2.640 0 40 DFAB COc1cccc(F)c1CN1CC[C@H](c2nc(C)cn2C)C1 257246929 IWPSIYVDTAHPIR-ZDUSSCGKSA-N 303.381 2.866 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2cccc3c2OCCO3)cc1 60134963 MLTIMLCHUPPMAB-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB Cn1cc(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)cn1 12228586 GDQJCAZURNAICP-OAHLLOKOSA-N 312.398 2.590 0 40 DFAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC2CCCC2)n1 19457442 UJCUFLYSKWHCPL-SNVBAGLBSA-N 321.812 2.778 0 40 DFAB NC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 19796384 SIEABBLNLRRUTN-LJQANCHMSA-N 312.413 2.598 0 40 DFAB NC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 156211383 VZHMNZHBQHAZFA-SECBINFHSA-N 313.760 2.598 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2N)c1 20343423 LFAWBHPCJSQMBQ-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB Cc1noc(C)c1CN(C)Cc1ccc(C(=O)NC2CC2)cc1 27288170 VDKWVTWOPZTMQI-UHFFFAOYSA-N 313.401 2.816 0 40 DFAB C[C@]1(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)CC=CCC1 1614927475 TXPYXIIPPVTRNQ-OBONGRFPSA-N 316.445 2.640 0 40 DFAB CCS(=O)(=O)N1CCN=C1SCc1cccc(Cl)c1 2711806 ANJMGXZQHWKBRM-UHFFFAOYSA-N 318.851 2.595 0 40 DFAB COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)(C)C)n2C 12514533 AGDCWSWZMAYUTP-PEZBUJJGSA-N 308.403 2.730 0 40 DFAB CN(C)[C@H]1COC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055837529 ZQFCNDDSJFRDEU-BZUAXINKSA-N 308.466 2.524 0 40 DFAB O=C(c1ccc(Cl)cc1Cl)N1CC(Nc2ncccn2)C1 238830420 FTXQRCNPEBBUBU-UHFFFAOYSA-N 323.183 2.720 0 40 DFAB C[C@H]1CC(C)(C)CC[C@@H]1NCCn1c(=O)oc2cccnc21 97099795 ZSUCNBOEPOQSES-STQMWFEESA-N 303.406 2.794 0 40 DFAB O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccccc1 113564332 ZQWIRLWROICUIX-MRXNPFEDSA-N 305.337 2.912 0 40 DFAB CCC(C)(C)NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 40047216 VWQZTRSNYMKDMT-VOTSOKGWSA-N 305.374 2.784 0 40 DFAB O=C(c1ccc(N2CCOCC2)nc1)N1CCCc2ccccc21 40481390 PWVBXNDUMAGJOR-UHFFFAOYSA-N 323.396 2.511 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H](C)O[C@H](C)C1 40529600 AEFHGLVWXUWGGI-AOOOYVTPSA-N 306.387 2.961 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc(O)c2)[C@@H]1c1ccccc1 20717594 BOMVTGBWSSQEOX-AEFFLSMTSA-N 324.380 2.940 0 40 DFAB O=C(/C=C/c1ccncc1)NCCCN1CCc2ccccc2C1 32401382 OFIFPIQNZBZMEE-VOTSOKGWSA-N 321.424 2.659 0 40 DFAB CCCCNC(=O)N[C@H](c1ccccc1OC)c1nccn1C 32854044 KBTWCAPXLZPKDG-OAHLLOKOSA-N 316.405 2.617 0 40 DFAB CC1(C)[C@@H]2C[C@@H]1CC=C2CCOC(=O)[C@@H]1CCCN(C(N)=O)C1 102707066 CGDUYPOXNSGCRK-QLFBSQMISA-N 320.433 2.703 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)N1CCCSCC1 60609267 JEKYWPAHIQFCGK-UHFFFAOYSA-N 318.446 2.644 0 40 DFAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 21893705 LYXDJLJQJQQCQF-UHFFFAOYSA-N 323.396 2.881 0 40 DFAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1coc2ccccc12 97107569 RAIUEKJHJOULDY-UHFFFAOYSA-N 307.309 2.532 0 40 DFAB Cc1ccc([C@]2(C)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1 2664528 KBLSZQCIVVPEKQ-KRWDZBQOSA-N 313.357 2.567 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(O)CCCCC1 22226266 GTOUJZVQXPROKQ-UHFFFAOYSA-N 315.369 2.897 0 40 DFAB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccccc2)c1 72333782 AUNHAYDSENTNRB-ZDUSSCGKSA-N 313.353 2.729 0 40 DFAB Cn1nc(C(=O)NC2CCCCCCC2)c2ccccc2c1=O 3566922 MJTQFMDHGHBDRM-UHFFFAOYSA-N 313.401 2.776 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)c2nn(C)cc2Br)[C@@H]1C 6525545 GHCBYNTZZOJEPD-NGZCFLSTSA-N 314.227 2.737 0 40 DFAB CNC(=O)c1ccc(NC(=O)/C=C/c2nc3ccccc3o2)cc1 8726137 FGZPEHDDDGFZPX-ZHACJKMWSA-N 321.336 2.839 0 40 DFAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 24753573 GKAHVTYDYURXHF-NNNHXZLVSA-N 305.355 2.775 0 40 DFAB CCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccccn3)ccc21 57280434 HQGNIVHIHUBUQG-UHFFFAOYSA-N 309.369 2.978 0 40 DFAB Cc1c([C@@H](C)NC(=O)c2cccc(OC(F)F)c2)cnn1C 25006406 NQHJVCYIGPYJDT-SECBINFHSA-N 309.316 2.821 0 40 DFAB CCCCN(C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 56762850 QWNRTRUEJUUJKS-UHFFFAOYSA-N 319.449 2.825 0 40 DFAB CC1CCC(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 25352888 NZHSOAWWNJAFQA-UHFFFAOYSA-N 316.323 2.562 0 40 DFAB N=c1sccn1CC(=O)c1ccc(OC(F)(F)F)cc1 109467255 HBGBHTHIZJTGMY-UHFFFAOYSA-N 302.277 2.811 0 40 DFAB COc1cc(CNC(=O)NCCc2cccc(Cl)c2)ccn1 12545749 SRPOXJKTVHDOGV-UHFFFAOYSA-N 319.792 2.786 0 40 DFAB COC(=O)c1ccc(CCNC(=O)c2c(F)cccc2F)cc1 44896421 GFVTVGCFJFUOHQ-UHFFFAOYSA-N 319.307 2.724 0 40 DFAB COc1ccc(-c2nc(C)c(C(=O)N(C)C)s2)cc1OC 44867615 CUCWLZNNLLQZDX-UHFFFAOYSA-N 306.387 2.838 0 40 DFAB CCC[C@@H]1CNCCN1C1CCN(CCc2ccccc2)CC1 97165826 QFXFMHLOLOXUJC-HXUWFJFHSA-N 315.505 2.767 0 40 DFAB CC(C)CNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3256163 WRTXYMRDPJOXJN-UHFFFAOYSA-N 321.392 2.953 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccco1 3229133 PZGJFBBGQLHLKC-MMQHEFTJSA-N 311.337 2.814 0 40 DFAB Cn1cnnc1[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 58356636 CPKJRUCLZNQJNS-HNNXBMFYSA-N 320.400 2.656 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c(s1)CCCCC2 58377477 RYPPZOOUTKDVDJ-AAEUAGOBSA-N 320.458 2.743 0 40 DFAB CCN(CC)CCn1cc(NC(=O)Cc2ccc(C)cc2)cn1 58438537 VHRJABFNUVLZLM-UHFFFAOYSA-N 314.433 2.715 0 40 DFAB C[C@@H](NC(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CCCO1 36744499 NTJVQOIELXEYDE-WBMJQRKESA-N 301.390 2.577 0 40 DFAB COC1CCN(C(=O)Cc2csc(-c3ccc(C)o3)n2)CC1 46182722 RYCUIMHDGAHFAD-UHFFFAOYSA-N 320.414 2.891 0 40 DFAB Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c(C)o1 3349600 WWYGFYKWKMAXFZ-UHFFFAOYSA-N 309.268 2.970 0 40 DFAB Cc1ccoc1C(=O)NC[C@@H](C)N1CCc2sccc2C1 46243788 ZDXOJIABXIEWLO-GFCCVEGCSA-N 304.415 2.826 0 40 DFAB O=C(NCCSC(F)(F)F)c1cc2ccccc2c(=O)[nH]1 48483777 OVULQGBDJAOCFU-UHFFFAOYSA-N 316.304 2.511 0 40 DFAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)cc1 3517808 XDELBYNGRZZIOW-ZDUSSCGKSA-N 317.414 2.845 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(F)cc1F 12974801 GWPTWVPARRQTHA-UHFFFAOYSA-N 300.264 2.558 0 40 DFAB CCCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H](CC)c1ccccc1 71903381 VBQDUSHUNPIISS-DZGCQCFKSA-N 311.447 2.809 0 40 DFAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 3910999 TWBARENAQAIMLL-KRWDZBQOSA-N 310.378 2.880 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 8990938 GDMNNJXXOMAFRZ-GOEBONIOSA-N 310.401 2.570 0 40 DFAB COc1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc(OC)c1 6154145 YWKKPWUVBKWAJW-UHFFFAOYSA-N 324.336 2.798 0 40 DFAB COCc1nc(C(=O)N2CCC[C@@H]2c2ccncc2)cs1 65106108 UCKDJXQNKPFLBF-CYBMUJFWSA-N 303.387 2.662 0 40 DFAB Cc1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)on1 65530050 XNYUHJJAZWCHGI-UHFFFAOYSA-N 303.337 2.839 0 40 DFAB O=C(CSc1nccc(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 9143493 ZKXBGYGHCJIFCL-UHFFFAOYSA-N 304.415 2.648 0 40 DFAB O=C(CCC(=O)N1CCCCCC1)NCc1ccc(F)cc1 4676748 YHHRYKREOOEPQR-UHFFFAOYSA-N 306.381 2.625 0 40 DFAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1C 6608257 KXLONWVOVDOVAM-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB CSC[C@H](C)C(=O)NCc1cccnc1N1CCCCC1 66829793 CRSPSSTTYASHSB-ZDUSSCGKSA-N 307.463 2.687 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 7069372 RKOMFBOYHDQTFQ-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1ccco1 9385395 ZRUQSFJBVTYRBS-UHFFFAOYSA-N 302.330 2.818 0 40 DFAB Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1 9748742 IYDSEKVHJWJDGP-UHFFFAOYSA-N 321.384 2.778 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1cccs1)N(C)C 23980468 LIFDCOGKLRLXTK-CYBMUJFWSA-N 304.415 2.789 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2nc(-c3ccco3)no2)c1 69597512 RRCVJFDAJMMTFJ-RYUDHWBXSA-N 301.350 2.574 0 40 DFAB CN1CCCN(C(=O)c2ccncc2)c2nc3ccccc3nc21 17364249 NMIDSHGBSAHMKL-UHFFFAOYSA-N 319.368 2.512 0 40 DFAB C[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cnc2ccccc21 69657202 YONIOEIPGDLAJH-HUUCEWRRSA-N 323.400 2.658 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4ccccc34)C2)n1 69698092 NYVWFOBCMFKKMB-HNNXBMFYSA-N 322.416 2.755 0 40 DFAB CCN(C)c1ccccc1NC(=O)CCOC[C@H]1CCCO1 69738891 QFKHOVDHEJBTGS-CQSZACIVSA-N 306.406 2.667 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)[C@H]3CCC(=O)N3)c2)c1 69775805 MYGWXAKNEUUFIJ-QGZVFWFLSA-N 308.381 2.557 0 40 DFAB O=C(O)C1CCC(NC(=O)[C@@H]2CSc3ccccc32)CC1 92237496 GSGBKMIZVJFVEG-GCZXYKMCSA-N 305.399 2.636 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(c2ccccc2F)CC1 71835113 QKSRWQBAOORRBQ-ZIAGYGMSSA-N 314.360 2.871 0 40 DFAB CC(C)c1nc(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cs1 72283030 VXXCSULHPIXITK-LBPRGKRZSA-N 318.446 2.938 0 40 DFAB Cc1noc([C@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 72299868 GUZUZZPIEDZLJD-CABZTGNLSA-N 303.366 2.579 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 95411274 JKRKDEJRYRCUGP-JKSUJKDBSA-N 306.381 2.689 0 40 DFAB Cc1cc(NC(=O)CNc2cccc(OC(F)F)c2C)n(C)n1 85275706 UCQFGPPLNQNGFK-UHFFFAOYSA-N 324.331 2.689 0 40 DFAB CN(Cc1cc2ccccc2o1)C(=O)Nc1cccc(C(N)=O)n1 95976814 JFRIZEVPXSVHFW-UHFFFAOYSA-N 324.340 2.591 0 40 DFAB COCCOC1CCN(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 95960069 YWWWNDDNLVMANB-SQWLQELKSA-N 312.454 2.648 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nccs1 95946802 OAVUNANDJZKRBY-AWEZNQCLSA-N 315.398 2.618 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)on1 95954244 WSLOUZRFQZPXHA-AWEZNQCLSA-N 323.356 2.541 0 40 DFAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccnc2Cl)C[C@H]1O 95996728 XDDKFVMPSJYEOG-ZYHUDNBSSA-N 311.813 2.996 0 40 DFAB CCS[C@H](C(=O)NC[C@@H](C(=O)O)c1ccccc1)C(C)C 89274777 NUHFYQMAZNVLHE-KGLIPLIRSA-N 309.431 2.749 0 40 DFAB COc1cc([C@@H](C)NC(=O)N2CC[C@@H](C)C2)cc(OC)c1OC 75582247 ACTVDVBYTOXJEX-VXGBXAGGSA-N 322.405 2.825 0 40 DFAB CCOC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409094773 FYELJFPPJIMDQP-UHFFFAOYSA-N 311.794 2.884 0 40 DFAB Cc1ncsc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 181240110 WQWGGQKDUOVJDM-AWEZNQCLSA-N 302.399 2.535 0 40 DFAB CCNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408621759 PKTFODNLNVKWGP-UHFFFAOYSA-N 322.459 2.763 0 40 DFAB O=C(Nc1ccc2nccn2c1)N[C@H]1CCOC12CCCCC2 1553099634 GQRTWSMJCDSIFL-AWEZNQCLSA-N 314.389 2.948 0 40 DFAB CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CCCOCC2)cc1 564651938 QNLMVNRMNVBSKK-IRXDYDNUSA-N 321.461 2.883 0 40 DFAB Cc1ccn2c(NC(=O)CO[C@H]3CCCC[C@H]3C)nnc2c1 121914175 RVXXPPUMOOMPKX-OLZOCXBDSA-N 302.378 2.572 0 40 DFAB Cc1occc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccncc1 71195715 NXTVPOWLNQSEMN-MRXNPFEDSA-N 322.368 2.976 0 40 DFAB O=C(Cc1cccc(Br)c1)NCc1ccccn1 123727984 PIAFCKLHBVIFBP-UHFFFAOYSA-N 305.175 2.703 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[S@](C)=O)c1cc2ccccc2o1 182689604 RCRUSDKWSZLCAH-NNOLRYQLSA-N 308.403 2.560 0 40 DFAB NC[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574919 BVNUZPVOFBTCNC-ARFHVFGLSA-N 321.829 2.855 0 40 DFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225212686 SDHOONDZYMNTRW-INIZCTEOSA-N 324.424 2.701 0 40 DFAB CCOCCOc1ccc(NC(=O)C2(OC)CCCCC2)cn1 225888017 TYPUOFUREMNZLY-UHFFFAOYSA-N 322.405 2.785 0 40 DFAB Cc1cccnc1NC(=S)NCCCN1CCC(C)CC1 225437813 HVOGHGXUPNLYAR-UHFFFAOYSA-N 306.479 2.798 0 40 DFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1CC=CCC1 225753437 ABAQPULGOXVLAX-AWEZNQCLSA-N 314.433 2.728 0 40 DFAB CC(C)Cn1nc(-c2ccccc2Cl)cc(C(=O)O)c1=O 225962775 PUNJYJWPUNLGMM-UHFFFAOYSA-N 306.749 2.918 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC23CCCC3)c1 429190359 FJBLTBXQMXWHFG-CQSZACIVSA-N 322.430 2.934 0 40 DFAB C[C@H](CC(=O)N[C@H]1C[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C 96430707 CTTDYOACYUWLGC-YUELXQCFSA-N 318.417 2.962 0 40 DFAB c1csc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 96058630 IGUJMMMZMFMUAQ-ZDUSSCGKSA-N 315.442 2.643 0 40 DFAB CO[C@H](CNC(=O)CC1CCOCC1)c1cccc(Cl)c1 96431903 PJPDMNBBPICJDI-OAHLLOKOSA-N 311.809 2.960 0 40 DFAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1ccco1)C2 96060235 PDYBYYWLRJHOHV-CQSZACIVSA-N 301.390 2.539 0 40 DFAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CCN1CCCC1=O 96432990 IBEZDCTYPUHPDV-INIZCTEOSA-N 320.408 2.522 0 40 DFAB CC[C@H](COC)NC(=O)Nc1ccc(-c2nccc(C)n2)cc1 96416009 AKPVBZCAGSEHMZ-CQSZACIVSA-N 314.389 2.999 0 40 DFAB COc1ccsc1C(=O)N[C@H](C[S@@](C)=O)c1ccccc1 96445518 JHRPROQMCLMTIU-GTJPDFRWSA-N 323.439 2.606 0 40 DFAB CSC[C@H](NC(=O)CCCn1ccnc1)c1ccccc1 96412259 ZWDNHHXFEKOIFK-HNNXBMFYSA-N 303.431 2.884 0 40 DFAB CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](C)n1cncn1 248713068 BNQGKDQOAKMXPR-QRTARXTBSA-N 312.417 2.915 0 40 DFAB CNc1cccc(CC[C@@H]2CCCCN2Cc2cnccn2)n1 257256417 KLKFCNYAAXUOSM-KRWDZBQOSA-N 311.433 2.901 0 40 DFAB C[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 253567504 KCXFBPJKYGOGIF-HFAKWTLXSA-N 322.355 2.575 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 253369569 FCIZJKLZESYZOX-MJBXVCDLSA-N 308.451 2.930 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257205754 BALUUEFRUBUUJD-CYBMUJFWSA-N 313.426 2.965 0 40 DFAB O=C(Cn1cnc2c(c1=O)CCC2)c1cccc(Cl)c1Cl 252483465 FCAZTCOVVJTDQL-UHFFFAOYSA-N 323.179 2.922 0 40 DFAB Cc1ncccc1O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1O 257310354 UESRVXORLOYFNS-RDJZCZTQSA-N 318.442 2.856 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ncc(C)s3)C2)n1 257321256 WAWGLQVIMUQONX-AWEZNQCLSA-N 318.446 2.671 0 40 DFAB COc1cc(NC(=O)NCCc2ccoc2)cc(OC)c1OC 90607467 RTPWEKDLSFSDDW-UHFFFAOYSA-N 320.345 2.670 0 40 DFAB C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](C)CC2)cc1 62927716 MQVOIIWKYIFQCS-AWEZNQCLSA-N 300.402 2.751 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)C1CCOCC1 78647214 VMYJOMPOXNBQOE-CYBMUJFWSA-N 318.200 2.570 0 40 DFAB CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1CCCCCCC1 97000397 RQEXKZLETPSABI-UHFFFAOYSA-N 315.479 2.915 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)OCN1C(=O)c2ccccc2C1=O 5832659 JWYKJTODDJOYSZ-YNEHKIRRSA-N 313.353 2.610 0 40 DFAB CCOc1ccc(OCC)c2nc3c(cc12)CNC[C@@H](C)O3 19532580 KWULHMHNFOLQAI-LLVKDONJSA-N 302.374 2.903 0 40 DFAB COc1cccc(COC(=O)c2ccc(NC(N)=O)cc2)c1 10208594 FVUUEJRMTAATCH-UHFFFAOYSA-N 300.314 2.543 0 40 DFAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc(Cl)cc1 3511774 ANDAZEIHTDQDBF-UHFFFAOYSA-N 305.717 2.841 0 40 DFAB O=c1c2cc(-c3cccs3)nn2ccn1C[C@@H]1CCCOC1 1888941680 HZKHFTJDQXKEHC-LBPRGKRZSA-N 315.398 2.651 0 40 DFAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nncn2n1 1889192001 BJROTADOEKCDQK-UHFFFAOYSA-N 308.128 2.683 0 40 DFAB COC(=O)C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1 675030086 JYJYHPYUEUEHPV-HNNXBMFYSA-N 311.337 2.687 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1 75155651 IECWWECREIDKEH-KRWDZBQOSA-N 303.308 2.529 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(F)cc1 67083 ABXFRGREKJDWNN-CYBMUJFWSA-N 308.378 2.524 0 40 DFAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1NC[C@@H](C)O 148366 LMOARFCEOHTCRQ-LLVKDONJSA-N 302.374 2.821 0 40 DFAB O=C(O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 31773280 HVSQFRACYCBJMI-NSHDSACASA-N 304.371 2.825 0 40 DFAB CN1C(=O)c2c(sc3c2CC(C)(C)SC3)N2CCN=C12 20462308 YKGMKLKSMRYTSP-UHFFFAOYSA-N 307.444 2.578 0 40 DFAB Cc1cc(C)nc(N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 32124441 QPCKCGHQVGCMJE-OAHLLOKOSA-N 310.357 2.683 0 40 DFAB biogenic CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 324726 MGTZKROEAGCALJ-GFCCVEGCSA-N 303.337 2.992 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 21278016 BTFSLUDDPFONIT-MRXNPFEDSA-N 312.369 2.623 0 40 DFAB COc1ccc([C@@H]2CCCN2c2cn[nH]c(=O)c2Cl)cc1 32806280 GVKOQFRMDFLVGX-LBPRGKRZSA-N 305.765 2.773 0 40 DFAB O[C@@H]1CN=C2CCCc3c2n(c2c(Br)cccc32)C1 87006 XVUZHXVUDZTHDC-SECBINFHSA-N 319.202 2.904 0 40 DFAB CC(C)C(=O)NC(=S)Nc1cc(C(=O)O)ccc1Cl 570108 WPWTWCPKPOSLKF-UHFFFAOYSA-N 300.767 2.507 0 40 DFAB Cc1noc(CCCC(=O)N(C)CCOc2ccccc2C)n1 46742465 DSKDVQWSBGGVGR-UHFFFAOYSA-N 317.389 2.547 0 40 DFAB C[C@@H]1CCOCCN1C(=O)c1cc(N(C)C)nc2ccccc12 97110887 PXLCVMDYAMOUJW-CYBMUJFWSA-N 313.401 2.552 0 40 DFAB COc1ccc(C)cc1C[S@@](=O)[C@@H](C)C(=O)NC1CCCC1 78556083 HHXMJVBBYHQSBG-XMHCIUCPSA-N 323.458 2.700 0 40 DFAB CNC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 97102642 LQVUWZZTFIBFAP-UHFFFAOYSA-N 314.267 2.581 0 40 DFAB CC(C)[C@@H](C)NC(=O)CCCNC(=O)c1ccc(F)cc1F 22242103 QSYHMFAXXNWYFX-LLVKDONJSA-N 312.360 2.636 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1O 4911680 JIDXRTCHLUOALC-MRVPVSSYSA-N 324.793 2.658 0 40 DFAB COc1ccc([C@@H](N)Cc2cc(OC)c(OC)c(OC)c2)cc1 6484488 MZKCROQAONEDNL-HNNXBMFYSA-N 317.385 2.964 0 40 DFAB Cc1noc(C)c1CNC1CCN(C(=O)OC(C)(C)C)CC1 84023585 YZYAMIGMFHRCPU-UHFFFAOYSA-N 309.410 2.781 0 40 DFAB COc1cc(CCC(=O)Nc2cc(C)on2)cc(OC)c1OC 24152728 VZAMHKHZVYSLPL-UHFFFAOYSA-N 320.345 2.580 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)N(C)C 55859960 ZUPZJXFCOWJDFM-UHFFFAOYSA-N 311.385 2.747 0 40 DFAB CC[C@](C)(NC(=O)c1ccccc1Br)C(=O)OC 58181393 GTDRUAWMVQQZNG-ZDUSSCGKSA-N 314.179 2.521 0 40 DFAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccccc3O)ccc21 44874879 LZRGPQRWYAOISO-UHFFFAOYSA-N 323.352 2.683 0 40 DFAB Cc1cc(C)n2ncc(-c3nn4c(C(C)C)nnc4s3)c2n1 44919208 DFKCXGMWGCUDMQ-UHFFFAOYSA-N 313.390 2.636 0 40 DFAB COCCn1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 44973124 ONRSOBUYJDQFOW-CQSZACIVSA-N 320.418 2.960 0 40 DFAB C[C@H](NC(=O)N1CCSCC1)c1ccc2c(c1)OCCCO2 44969024 GMFRGPFPTLIVAG-LBPRGKRZSA-N 322.430 2.667 0 40 DFAB CN(c1ccccn1)S(=O)(=O)c1ccccc1OC(F)F 58341643 SYLRCZBDOHGNLB-UHFFFAOYSA-N 314.313 2.508 0 40 DFAB CNc1snc(C)c1C(=O)N1CCC[C@H](C(F)(F)F)C1 28087178 OMBMSMOBFMNODB-QMMMGPOBSA-N 307.341 2.908 0 40 DFAB CC(=O)Nc1ccc(OCc2cc(=O)n3cc(C)ccc3n2)cc1 3491149 GZLXIDWMZRZIPP-UHFFFAOYSA-N 323.352 2.540 0 40 DFAB C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(-n2cncn2)cc1 12998216 CSJUQBODTWNFDE-ZDUSSCGKSA-N 324.359 2.826 0 40 DFAB CC(=O)c1[nH]c2c(c1C)C(=O)NC(=O)/C2=C/c1ccc(C)s1 12902715 WNFYWORYUXFZPQ-IZZDOVSWSA-N 314.366 2.706 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2n1 12973475 BEBSHVYJVNDXHE-HNNXBMFYSA-N 300.358 2.552 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccccn3)C2)s1 65538965 ZKXVPLOAONWDHL-AWEZNQCLSA-N 315.442 2.984 0 40 DFAB CC(=O)c1c[nH]c(C(=O)OCC(=O)c2ccc(F)cc2F)c1 14113092 VWZDSYKZJACGOR-UHFFFAOYSA-N 307.252 2.535 0 40 DFAB O[C@H](CN1CCC(Cn2cccn2)CC1)c1ccc(F)c(F)c1 65608405 VEQMIFQBWYFGRF-QGZVFWFLSA-N 321.371 2.607 0 40 DFAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O 19323482 ZOOJXOYUCLIFLM-UHFFFAOYSA-N 313.445 2.867 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@@H](N2CCCC2)C1 66173579 LBNIDVBDUUNNPS-HZPDHXFCSA-N 301.434 2.936 0 40 DFAB Cc1noc(C)c1C[S@@](=O)Cc1cn2cccc(C)c2n1 83944095 OQVWCYBDTTYKAQ-OAQYLSRUSA-N 303.387 2.696 0 40 DFAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc(Cl)cc1 4894077 BYWBSKPTAVAMCU-SSDOTTSWSA-N 308.794 2.658 0 40 DFAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@H]2CC=CCC2)C1 78122209 IWWMLTDTPAYQMR-HOTGVXAUSA-N 321.465 2.679 0 40 DFAB CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)c1 90224913 KNDXMHVCQRMSDX-MEDUHNTESA-N 313.405 2.731 0 40 DFAB O=C(CCN1C(=O)COc2ccccc21)OCc1ccccc1 7222906 LOBYHMMNYYFXGH-UHFFFAOYSA-N 311.337 2.546 0 40 DFAB Cc1c(CCC(=O)Nc2ccn(Cc3ccccc3)n2)cnn1C 28573566 VBYYCQGIHMPCHR-UHFFFAOYSA-N 323.400 2.545 0 40 DFAB COc1nc(C)cc(N2CCC[C@H]2c2noc(C(C)C)n2)n1 96003759 SISGBEOUTRGQBE-NSHDSACASA-N 303.366 2.642 0 40 DFAB COCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 19736425 HSCIUDLPJNYNQP-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(F)cc1 8060356 HXKLEUNJAKSLJK-UHFFFAOYSA-N 314.316 2.580 0 40 DFAB COc1ccccc1OCCN(C)Cc1nc(C(C)(C)C)no1 69374757 JUGOLJQSICKTQN-UHFFFAOYSA-N 319.405 2.887 0 40 DFAB CCOc1ccc2c(c1)CN(C(=O)c1snnc1CC)CC2 69392128 KBBPOWQFGRHZDF-UHFFFAOYSA-N 317.414 2.698 0 40 DFAB FC(F)(F)c1nc(N2CC(n3cccn3)C2)c2ccccc2n1 69598203 LCUBFMXPTVICHG-UHFFFAOYSA-N 319.290 2.906 0 40 DFAB C[C@H]1CCCCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 96406895 SSOJAVDHVDCJQA-ZDUSSCGKSA-N 307.413 2.971 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 18196642 HLFBZWAZGXZUSH-VHSXEESVSA-N 323.732 2.644 0 40 DFAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)o1 71821112 IZMFNBHICYFFPZ-SYFYSMEQSA-N 316.401 2.673 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 71870131 NNRYVDQFPYYQOB-CQSZACIVSA-N 314.389 2.670 0 40 DFAB CN(C[C@H]1CCCC[C@H]1O)C(=O)NCCSC(C)(C)C 97049305 HKYKULWOITWHCS-CHWSQXEVSA-N 302.484 2.711 0 40 DFAB O=C(Nc1ccccc1OCC1CC1)C(=O)N[C@H]1CC=CCC1 72294290 MRMGFBIZALBNIH-AWEZNQCLSA-N 314.385 2.639 0 40 DFAB Cc1nn(CC(=O)N[C@H](C)CCc2cccn2C)c(C)c1Cl 72296921 MTORLVXDGPCMSE-LLVKDONJSA-N 322.840 2.629 0 40 DFAB O=C(CCc1ccsc1)NCC1CCC2(CC1)OCCO2 72306534 WNAKKVPVJJCFCT-UHFFFAOYSA-N 309.431 2.730 0 40 DFAB COc1cccc(Cl)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O 95447876 RWSXDHHXXKYYII-CJNGLKHVSA-N 317.772 2.737 0 40 DFAB O=CNc1ccc(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)cc1 95430138 JVUIIPYCWSVJQR-SFHVURJKSA-N 324.380 2.593 0 40 DFAB C[C@H](CC(=O)N(C)C)NCc1cc(F)cc(Br)c1 95420662 BMDJRENRFUMSBK-SECBINFHSA-N 317.202 2.545 0 40 DFAB CCOc1ccc(NC(=O)/C=C/c2cncc(C)c2)cc1CO 95447809 YCEMSVBMACVHAE-QPJJXVBHSA-N 312.369 2.933 0 40 DFAB CC(C)C[C@H](C)NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 95440837 COVCMKRNPYEBFZ-ZNMIVQPWSA-N 324.421 2.548 0 40 DFAB CN(C)CCN(Cc1cccs1)c1ccc2nccnc2n1 95413860 DQFIRPIALUHOKR-UHFFFAOYSA-N 313.430 2.655 0 40 DFAB CCOc1cccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1OC 95457747 QAHJYHNDLWUVLD-CRAIPNDOSA-N 321.417 2.522 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 123365290 RPSMMZVJXWXNQX-OIWLGONRSA-N 306.446 2.930 0 40 DFAB Cc1cccc([C@H](C)CNC(=O)NCCC2(C)OCCO2)c1 95940111 FEURYAPHIIEMPA-CQSZACIVSA-N 306.406 2.551 0 40 DFAB O=C(Nc1cc(-c2ccccc2)on1)N[C@@H]1CCc2[nH]ncc2C1 95975257 SSMNVAQBWBFIHW-CYBMUJFWSA-N 323.356 2.744 0 40 DFAB C[C@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1 95985205 DHFUTLWORWYZLU-LBPRGKRZSA-N 309.373 2.984 0 40 DFAB COC[C@@H]1CCCN(c2cncc(OCc3ccccc3)n2)C1 86183814 SNNBUFDTHDTKHS-MRXNPFEDSA-N 313.401 2.918 0 40 DFAB COC[C@@H]1CCCN(C(=O)NC[C@H](OC)c2ccc(F)cc2)C1 74928560 AMFXRWILPBXANL-CJNGLKHVSA-N 324.396 2.581 0 40 DFAB C[C@@H](CCc1ccccc1)N1CCC(N(C)CCCO)CC1 89895701 XVKAEHGVTPFZJP-KRWDZBQOSA-N 304.478 2.786 0 40 DFAB 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Cc1c(C(=O)N2CCOCC2)oc2ccc(Br)cc12 13022796 PGOWCPTXUICYMF-UHFFFAOYSA-N 324.174 2.976 0 40 DFAB Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3C)n2)cc1 5036406 AIYPXHSHVDQMHY-UHFFFAOYSA-N 307.357 2.596 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nnc(C)c(O)n2)c(C)c1 5045248 ZVFGQIUUPKOZHF-UHFFFAOYSA-N 318.402 2.542 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccccc1F)c1cccs1 14062487 HEVITXPUHCVHOB-CQSZACIVSA-N 320.389 2.771 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 5323976 RZLCKBVOEOKWMA-LLVKDONJSA-N 318.348 2.722 0 40 DFAB O=C(NCc1ccncc1)c1cc(=O)c2cc(Cl)ccc2o1 5345362 SGIVUMGOPUJVRU-UHFFFAOYSA-N 314.728 2.771 0 40 DFAB CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 6499222 RCBHPYNDWQSULX-QWRGUYRKSA-N 321.423 2.853 0 40 DFAB C[C@H](C(=O)NC1CCCCCC1)n1c(=O)oc2ccccc21 14138024 ZPUYRLFSVYVDPF-GFCCVEGCSA-N 302.374 2.995 0 40 DFAB O=C(O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 4662642 YFZHIVDHWAIQEP-UHFFFAOYSA-N 302.157 2.930 0 40 DFAB Fc1ccc([C@@H]2CN(CCn3cccn3)CCO2)cc1Cl 66844805 MILZRNDVLXBKGL-HNNXBMFYSA-N 309.772 2.749 0 40 DFAB O=C(c1ccc[nH]1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245672 ZZAKPEYIRCDFTP-TZMCWYRMSA-N 324.302 2.982 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(F)cc1 7267417 WJDOCVJWJAYSAN-CQSZACIVSA-N 300.377 2.962 0 40 DFAB COC(=O)CSc1ncnc2c1oc1nc(C)cc(C)c12 9341809 PELZCJLERIFAGP-UHFFFAOYSA-N 303.343 2.653 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(N2CCCCC2)CC1 26439302 LILQVIVCPYUAOT-IRXDYDNUSA-N 321.509 2.726 0 40 DFAB CC(C)n1nnnc1SCc1cn2cc(Cl)ccc2n1 8307993 FFFDKKQBDYFJHG-UHFFFAOYSA-N 308.798 2.847 0 40 DFAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccccc1 8341993 QROWDILQUHEHJU-SNVBAGLBSA-N 318.760 2.845 0 40 DFAB CCOc1c2n(c(=S)n1C)Cc1cc(OC)c(OC)cc1C2 9482415 HMLSZGGVTNSZDW-UHFFFAOYSA-N 320.414 2.924 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 69570481 HFHBRBNKKAFHJB-HOCLYGCPSA-N 315.417 2.941 0 40 DFAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Cl 97106996 OIZGTKRDDGEVAJ-UHFFFAOYSA-N 319.723 2.579 0 40 DFAB O=C1NC2(CCOCC2)C(=O)N1Cc1cc2ccccc2s1 97114250 RLENDUWNQAMFGE-UHFFFAOYSA-N 316.382 2.502 0 40 DFAB C[C@@H](Nc1cccc(CO)c1)C(=O)N1c2ccccc2C[C@H]1C 72120236 MZTVYYSSHCEWIN-ZIAGYGMSSA-N 310.397 2.957 0 40 DFAB O=C(Nc1ccc(COCc2ccccc2)cc1)c1cn[nH]n1 72295790 OBPZLIZBYHMHPC-UHFFFAOYSA-N 308.341 2.774 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282770 DBBLGSZLSGJCLR-LBPRGKRZSA-N 302.378 2.849 0 40 DFAB CCNC(=O)c1ccc(NC[C@@H](c2ccsc2)N(C)C)nc1 95395880 SVJOXXGXRFEVAL-AWEZNQCLSA-N 318.446 2.608 0 40 DFAB C[C@@H](c1cccc(F)c1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 95402727 QIUOHBBDYBGSFV-AAEUAGOBSA-N 316.380 2.588 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 95435892 ATSNGKCSOUTMCE-CQSZACIVSA-N 303.402 2.766 0 40 DFAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(-n2ccnn2)cc1 95440417 JSEJIKAYNKOEDN-GFCCVEGCSA-N 312.398 2.749 0 40 DFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@H](C)Sc1ccccn1 84971654 CPXXCGHLIXBYOQ-NSHDSACASA-N 315.398 2.608 0 40 DFAB CCOc1cn(C)c(C(=O)Nc2ccccc2CC)cc1=O 23135570 AXTCUZBXQFSVNR-UHFFFAOYSA-N 300.358 2.599 0 40 DFAB C[S@](=O)c1cccc(NC(=O)N2Cc3ccccc3C2)c1 75140861 FOCLNLHVQWHITD-OAQYLSRUSA-N 300.383 2.972 0 40 DFAB CCCNC(=O)c1cc(Br)c(OC)c(OCC)c1 22014419 AFROIZIWINQQQV-UHFFFAOYSA-N 316.195 2.996 0 40 DFAB C[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 485444 BKZZOCHFQOSGEN-CQSZACIVSA-N 311.429 2.785 0 40 DFAB biogenic COc1cc(C(=O)NCc2c(C)nn(C)c2C)cc2occc12 72240054 DOGWJZHHKJUZIQ-UHFFFAOYSA-N 313.357 2.722 0 40 DFAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCCN2CCO)n1 72382373 MWEARLFGJBOCPJ-LBPRGKRZSA-N 319.434 2.504 0 40 DFAB C[C@@]1(C(=O)O)CC(c2cc(Br)ccc2F)=NO1 71981103 PIZQRGVKEDRYAR-NSHDSACASA-N 302.099 2.556 0 40 DFAB C[C@H](c1ccccc1)N(CC(N)=O)C(=O)C1CCC(F)(F)CC1 127333459 VUTXYWDMSSTXQZ-GFCCVEGCSA-N 324.371 2.887 0 40 DFAB O=C(O)c1ccc(N2CCCC2)c(I)c1 39951761 HEJDNUMEEPEOLR-UHFFFAOYSA-N 317.126 2.590 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)Oc1ccc(Cl)cc1 36646529 PMIVHDCCMZAANE-UHFFFAOYSA-N 317.772 2.994 0 40 DFAB CS(=O)(=O)N1CCC[C@@H](c2cccc(NC3CCCC3)n2)C1 72364694 AIWLIOMPBYMNGB-CYBMUJFWSA-N 323.462 2.575 0 40 DFAB Cc1ccc(NC(=O)N2CC3(COC(C)(C)OC3)C2)cc1C 70971989 YOBADCKWCVVAAN-UHFFFAOYSA-N 304.390 2.920 0 40 DFAB CNc1nnc(SCc2nc(Cc3ccccc3)no2)s1 31653357 UCVUJCTUAHTNBA-UHFFFAOYSA-N 319.415 2.846 0 40 DFAB Cn1ccnc1CNC1(c2ccc(Br)cc2)CC1 77376657 UVSMBNLAERWRQO-UHFFFAOYSA-N 306.207 2.962 0 40 DFAB CC(C)n1cc(C(=O)Nc2cnn(C)c2)c2ccccc2c1=O 71285475 RPCGAMZYLTZUGB-UHFFFAOYSA-N 310.357 2.568 0 40 DFAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2)c1 224427206 LYBATVZLXDZQSX-CQSZACIVSA-N 315.369 2.658 0 40 DFAB O=C(O)c1ccccc1NC(=S)NC(=O)C1CCCCC1 226353682 OHPXGLLWGWLOMY-UHFFFAOYSA-N 306.387 2.778 0 40 DFAB Cc1ccc(C)c(OCCNS(=O)(=O)c2cccs2)c1 224043680 HYGYYKZJYVFYQC-UHFFFAOYSA-N 311.428 2.722 0 40 DFAB C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 42645849 LLNSUYQZWLEFSY-LLVKDONJSA-N 318.323 2.823 0 40 DFAB CCOC(=O)CCN(C)C(=O)c1ccc2oc(Cl)nc2c1 225978480 DRUCIBMBLMMSTM-UHFFFAOYSA-N 310.737 2.506 0 40 DFAB CCc1ccc(NC(=O)N2CCCC3(C2)OCCO3)cc1F 96489182 JFZQPUWTSMDCNU-UHFFFAOYSA-N 308.353 2.759 0 40 DFAB COCC(=O)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110607 FCOFBXXMOJGVPH-ROUUACIJSA-N 317.429 2.519 0 40 DFAB Nc1nc2c(s1)CN(c1nc(C(F)(F)F)cs1)CC2 95428419 GFSISIBZJVFFIX-UHFFFAOYSA-N 306.338 2.763 0 40 DFAB COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1nccc3ccccc13)C2 96501398 XIFNWASLXWYBHC-AUUYWEPGSA-N 324.380 2.650 0 40 DFAB COc1cccc([C@H](O)C(=O)N(C)[C@H](C)Cc2cccs2)c1 96487104 DNFYFXFFIDOKMV-WBMJQRKESA-N 319.426 2.880 0 40 DFAB CC(=O)c1ccc(C(=O)OCc2ccnc(-n3ccnc3)c2)cc1 96501685 GBGPAILOEBILEP-UHFFFAOYSA-N 321.336 2.827 0 40 DFAB COc1cccc([C@@H](O)CN(C[C@H](C)O)c2ccccc2)c1 96406584 ZHQHDXCANIWZHV-KSSFIOAISA-N 301.386 2.616 0 40 DFAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2ccccc2)n1 257245023 INUOESHXRGXMSW-SFHVURJKSA-N 323.396 2.695 0 40 DFAB CS(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257232290 GKFDWIKROFYFDA-CQSZACIVSA-N 324.377 2.501 0 40 DFAB CN1C(=O)CC[C@H](N[C@H]2CCCSC2)[C@H]1c1cccs1 253369270 AMOMQOGHVNEHTH-HUBLWGQQSA-N 310.488 2.895 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 257318597 VOQQJUNFKMWNDT-INIZCTEOSA-N 315.348 2.667 0 40 DFAB C[C@H](NC1(CNC(=O)OC(C)(C)C)COC1)c1ccccc1 575624124 IWVGZXGEORBHPN-ZDUSSCGKSA-N 306.406 2.631 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCCN(CC2CCOCC2)C1 585273858 FHCQOAZSERSFHK-IBGZPJMESA-N 319.445 2.627 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 72311275 KBLWLXOTQBXQLC-MRVPVSSYSA-N 304.268 2.779 0 40 DFAB Cc1cc(C)cc(C[C@@H](C)NC(=O)CCn2ccccc2=O)c1 76041285 CJVTYEIWCVEHGO-MRXNPFEDSA-N 312.413 2.603 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ncc(Cl)cn1 95087650 DQYOPPKKYUYSAI-NSHDSACASA-N 312.801 2.624 0 40 DFAB COc1ccccc1[C@@H](CNc1ncnc2cnccc12)OC 1775970907 JJYDGYDXBNXZPV-MRXNPFEDSA-N 310.357 2.833 0 40 DFAB CCCCCCN/C(CC)=C1\C(=O)NC(=O)N(CCCC)C1=O 5978069 SLJNBNAPCRMZGX-BUHFOSPRSA-N 323.437 2.699 0 40 DFAB O=S(=O)(Nc1ccccn1)c1cccc(Br)c1 5985662 IQVYRQCBWILUQI-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB Cn1nccc1C(=O)N[C@@H](Cc1ccsc1)c1cccnc1 12228525 MXJGEPHOLUEXPO-AWEZNQCLSA-N 312.398 2.590 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 13005074 IDECCHQBBLDUDH-KGLIPLIRSA-N 316.357 2.641 0 40 DFAB COc1ccc(/C=C(/C(=O)NCCN(C)C)c2ccccc2)cc1 13613710 WVNOTMUCZUHOBF-XDJHFCHBSA-N 324.424 2.914 0 40 DFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccnc1 14397889 QFYCZOMALJAIQN-MRXNPFEDSA-N 300.358 2.564 0 40 DFAB COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1 15615303 NVGHNMNXVHERQL-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB Cc1ncc(-c2ccccn2)c(CN(C)C(=O)c2ccccn2)n1 19286972 XZFXSISNKRLTNO-UHFFFAOYSA-N 319.368 2.514 0 40 DFAB CNc1nc(C)c(C(=O)NCCc2ccc(N(C)C)cc2)s1 19656563 KLGSXDHJQLXJGD-UHFFFAOYSA-N 318.446 2.532 0 40 DFAB Cc1csc(CN2CCN(C(=O)CC3CCCC3)CC2)n1 21687106 KDAKGCKKZBWRIT-UHFFFAOYSA-N 307.463 2.676 0 40 DFAB Cc1ccc(C(=O)N[C@H](N(C)C)C(Cl)(Cl)Cl)cc1 25326035 PSGLWDHRBVEVSW-LLVKDONJSA-N 309.624 2.983 0 40 DFAB Cc1ccc(F)cc1NCC(=O)Nc1ccc2c(c1)OCCO2 15122844 GROODPLWINGCBV-UHFFFAOYSA-N 316.332 2.956 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)C3CC(F)(F)C3)C[C@@H]21 1565544597 MQVWRIHCIZNAHA-ZWNOBZJWSA-N 321.371 2.743 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)OC 5278227 RTJRJJAYQDFMTN-WQVCFCJDSA-N 318.417 2.951 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1 12853603 UXAAHKLVZDLNER-UHFFFAOYSA-N 303.383 2.676 0 40 DFAB O=C(NCc1ccc(F)cc1)NC[C@@H]1Cc2ccccc2O1 40086444 SXEJRVJBZCINJH-HNNXBMFYSA-N 300.333 2.629 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2csc(NC3CC3)n2)c1 40268741 IVFRDDZJOYFPEM-UHFFFAOYSA-N 316.386 2.928 0 40 DFAB Cc1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O 100327207 MCEYHTDXSIZRJI-UHFFFAOYSA-N 308.337 2.805 0 40 DFAB O[C@H](COc1ccccc1)CN1CCC[C@H](C(F)(F)F)C1 40459036 NMRBFYXVCQTHCZ-STQMWFEESA-N 303.324 2.701 0 40 DFAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cnccn2)c1 40477602 PJDFQJHDGGEXIS-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB C[C@@H](NC(=O)CCc1cccc(Cl)c1Cl)C(=O)N(C)C 40540947 OZMWOQJHDMNDDH-SECBINFHSA-N 317.216 2.519 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 40527001 YYJGHVXYDUDAQC-ZDUSSCGKSA-N 311.385 2.858 0 40 DFAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccco1 32739474 AOJYNJFTJCOUHN-LBPRGKRZSA-N 301.346 2.669 0 40 DFAB COc1cc(C(=O)NCc2nc(C)cs2)cc(OC)c1C 21481836 SHHASOKUYMSPLX-UHFFFAOYSA-N 306.387 2.707 0 40 DFAB Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)no1 32870396 VMGFSFRBAYHNGO-AWEZNQCLSA-N 311.345 2.628 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N(C)CC(=O)Nc1ccccc1 52640150 NBQAUVDBMQZTAD-LLVKDONJSA-N 300.362 2.579 0 40 DFAB OCCc1cnn(CCOc2cc(Cl)ccc2Cl)c1 97115080 KBSFYKOBKSMXQA-UHFFFAOYSA-N 301.173 2.804 0 40 DFAB CCc1ccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)o1 60345120 SAMWPNURJNTCQZ-UHFFFAOYSA-N 322.405 2.783 0 40 DFAB Cc1cc(C)n2ncc(C(=O)Nc3cc(Cl)ccc3O)c2n1 820977 LQJQFTSRQLHMEC-UHFFFAOYSA-N 316.748 2.957 0 40 DFAB COC(=O)NCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 77559818 KJARYFRGOORFLC-UHFFFAOYSA-N 303.314 2.573 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@@H]2CCCC[C@H]2O)on1 78953259 FHLOUEJZHPXVRL-UKRRQHHQSA-N 309.410 2.681 0 40 DFAB Cc1ncccc1CN1CCNC(=O)[C@H]1c1ccccc1Cl 97108650 YWOCQFULCIKQIE-MRXNPFEDSA-N 315.804 2.717 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O 4026293 YLTCTXBDDHSLCS-UIFYRBHJSA-N 304.430 2.852 0 40 DFAB endogenous,in-man COc1cc(Br)c(C(=O)CCN(C)C)cc1OC 4372377 JZXNXVOHYFKMQW-UHFFFAOYSA-N 316.195 2.601 0 40 DFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 6650505 FHBPFMIOZRBONO-DHZHZOJOSA-N 309.343 2.659 0 40 DFAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1Cl 6687785 DIZJMKCNBNGNDK-ZDUSSCGKSA-N 323.776 2.926 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccccc2C)C1 7529353 OWENGLOUDHECBO-ZDUSSCGKSA-N 306.431 2.967 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cn2)c2ccc(F)cc2N1 42065281 ZEWMWWGTEFWWBJ-LLVKDONJSA-N 319.723 2.939 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 8015487 FLHFEVZZLMTBEX-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1 23143475 QVLUIMAGTJVGQT-UHFFFAOYSA-N 315.391 2.553 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CCCC[C@@H]1Cn1cccn1 71865086 QCNSLIBUWJMSAY-CQSZACIVSA-N 321.384 2.521 0 40 DFAB c1ccc2oc([C@H]3CCCN(Cc4nnnn4C4CC4)C3)nc2c1 24667980 VZQBVMJEDHAZNM-LBPRGKRZSA-N 324.388 2.529 0 40 DFAB O=C1Nc2c(F)cccc2C12CCN(Cc1cccnc1)CC2 109839117 NORLLOQZYFDYPO-UHFFFAOYSA-N 311.360 2.707 0 40 DFAB CCN(CC)C(=O)CSc1nc(N)c2c(C)c(C)sc2n1 1356318 HKXBENBCBDNPOV-UHFFFAOYSA-N 324.475 2.851 0 40 DFAB COC(OC)(OC)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 1400100 SFUFJUBSASCEGU-UHFFFAOYSA-N 323.776 2.600 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 43583609 SMWSBIKYIOIYDF-LBPRGKRZSA-N 309.793 2.986 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2COc3ccccc3C2)C1 107063274 OKFWQZJMWHDHGF-BPLDGKMQSA-N 320.458 2.821 0 40 DFAB CC1CCN(c2ccc(CNC(=O)c3ccccn3)cn2)CC1 61900096 QXHKZXSIBUOLET-UHFFFAOYSA-N 310.401 2.643 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCc1nc(-c2ccco2)no1 44119110 GBXYYYSSINULMV-UHFFFAOYSA-N 319.704 2.661 0 40 DFAB COC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C1CC1 108116081 TVBMQTYSHKMBFU-WTXIUTQJSA-N 324.465 2.932 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1CCc2ccccc2C1 35629948 JMGPFPCMFPOHHV-UONOGXRCSA-N 305.374 2.769 0 40 DFAB CC1CCC(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)CC1 26982263 UAICVQJRGUHJOV-MOKVOYLWSA-N 318.417 2.953 0 40 DFAB COCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 44549931 ZFTLQFJZJRNRQA-AWEZNQCLSA-N 310.353 2.898 0 40 DFAB Cc1csc(CCNC(=O)c2cnc(-c3ccccc3)nc2)n1 58282662 NYYDPMFUFFGKDO-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H]1CCCO1 44951664 ZGKGSOOJTMTJMF-HIFRSBDPSA-N 318.421 2.761 0 40 DFAB O=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 59204999 IEWNWIRAWZCTPP-UHFFFAOYSA-N 324.380 2.940 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c(C)o1 29075123 UYCBOVSPDRQJGW-CQSZACIVSA-N 310.357 2.916 0 40 DFAB CCc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)cc1 8937640 WPCZLMPAXUDRPV-UHFFFAOYSA-N 319.382 2.975 0 40 DFAB COc1cccc(S(=O)(=O)CCSc2ccccn2)c1 71184872 SCCNECQWDUUDOP-UHFFFAOYSA-N 309.412 2.656 0 40 DFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1 6337373 ANSMQCDIAFKPPM-UHFFFAOYSA-N 323.801 2.674 0 40 DFAB Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c(F)c1 14093599 JYJPGLGHCCYSMV-UHFFFAOYSA-N 311.316 2.552 0 40 DFAB CCc1nnc(SCC(=O)Nc2nc3ccccc3s2)o1 4668923 TVSWMCOXTMVNOD-UHFFFAOYSA-N 320.399 2.973 0 40 DFAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCCn1ccnc1 6829967 AHSDURXAAVNGSP-UHFFFAOYSA-N 301.434 2.996 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccccc2)n1 6881083 FOAUDZCQWIFJMI-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccsc2)C1 96007980 VPWCOUPWRPMXBX-NSHDSACASA-N 305.407 2.771 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCc1cnn(C)c1C)[C@@H](C)C2 96002208 XBLKIJSTJSYAQM-YVEFUNNKSA-N 312.417 2.770 0 40 DFAB CNC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 24437009 SYBRVUNDBZBWJL-UHFFFAOYSA-N 311.341 2.625 0 40 DFAB C[C@H](c1cccc(Cl)c1)N1CCC(N2CCNC2=O)CC1 69378071 AXBIFGFEPGHQOE-GFCCVEGCSA-N 307.825 2.891 0 40 DFAB COc1ncc(C)cc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 96461752 UIWSFHGALZGDAA-CYBMUJFWSA-N 315.377 2.881 0 40 DFAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCn2cncn2)o1 96433244 KHCATVCFJQRCAJ-ZFWWWQNUSA-N 316.405 2.823 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 69416686 NHIVBKRVMKEWJL-GJZGRUSLSA-N 324.380 2.797 0 40 DFAB C[C@]1(c2ccccn2)NC(=O)N(Cc2ccccc2Cl)C1=O 69656936 WNUUFBYEPGBKSB-MRXNPFEDSA-N 315.760 2.702 0 40 DFAB C[C@H](CCC(=O)O)NC(=O)CSCc1cccc(Cl)c1 70310582 DJLQNFIRJIWREB-SNVBAGLBSA-N 315.822 2.943 0 40 DFAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1 8619781 OZJPYRGHJOYIMD-UHFFFAOYSA-N 321.380 2.894 0 40 DFAB C[C@H](NC(=O)N1Cc2ccccc2C1)C(=O)N1CCCC[C@H]1C 71879867 WYZGMWCICZEIGM-KGLIPLIRSA-N 315.417 2.501 0 40 DFAB CC(=O)N1CCC(NC(=O)N2CC[C@H](C)c3ccccc32)CC1 96998311 OXXLSBUAESRXDO-ZDUSSCGKSA-N 315.417 2.721 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72282102 WBUHYLZFGMTYJV-CHWSQXEVSA-N 318.446 2.869 0 40 DFAB Cc1cc(C(=O)CCC(=O)NC[C@@H]2CCCC[C@@H]2O)c(C)s1 72293720 ZSRAPHKLCJXEFZ-ZFWWWQNUSA-N 323.458 2.995 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)no1 72274113 GKURDVLEMDGLOV-TZMCWYRMSA-N 302.378 2.537 0 40 DFAB c1ccc(Cc2nccc(NCc3nnc4ccccn34)n2)cc1 97234741 YKIUZOZLTBPDDR-UHFFFAOYSA-N 316.368 2.722 0 40 DFAB CC(C)CCS(=O)(=O)[C@@H](C)c1cn(-c2ccccc2)nn1 84510768 IJTRBIPQNDOQLE-ZDUSSCGKSA-N 307.419 2.789 0 40 DFAB C[C@H](OC(=O)c1ccc(Cc2nc[nH]n2)cc1)c1ccccn1 95452222 BXIHEHPUHGLLGR-LBPRGKRZSA-N 308.341 2.709 0 40 DFAB COC(=O)[C@@H](NCc1cccc(OC)c1)c1cc(F)ccc1F 95431919 SROKJGGQNFMGHV-INIZCTEOSA-N 321.323 2.977 0 40 DFAB CCc1noc(C2CCC(N[C@@H]3CCC[C@]3(C)CO)CC2)n1 95996891 OHDMVFHUZJGYCW-YJJGSOMYSA-N 307.438 2.799 0 40 DFAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccnc2)no1 95999383 FYJKHSJROHWCHJ-CYBMUJFWSA-N 301.350 2.922 0 40 DFAB COc1ccc2nc(NC(=O)NC[C@H]3CCCO3)sc2c1 74753637 BLXKFUKLTHWDKY-SNVBAGLBSA-N 307.375 2.605 0 40 DFAB Cc1cccc(N2CCC(N[C@H]3CN(C(C)C)C[C@H]3C)CC2)n1 110687751 IIWXNRHDSOHGAU-QAPCUYQASA-N 316.493 2.677 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(C)s2)c(=O)[nH]1 75122564 DGMJGOWBVZUFSN-LBPRGKRZSA-N 319.430 2.922 0 40 DFAB CCCOc1ccc(C(=O)NC[C@@H](C)CO)cc1OCCC 89960329 LGXGUBMEUACDJO-CYBMUJFWSA-N 309.406 2.622 0 40 DFAB c1coc(CN2C[C@H]3Cc4nc(NCC5CC5)ncc4[C@@H]3C2)c1 306135950 PFAQMQIIIRWRQL-CZUORRHYSA-N 310.401 2.663 0 40 DFAB Cc1ccncc1CN1CC[C@H](NC(=O)c2ccc(F)cc2)C1 1009914070 VZGQOKXZEYBITC-KRWDZBQOSA-N 313.376 2.533 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)CCc1nc2ccccc2[nH]1 30262844 GJURXALDDVEPLE-CYBMUJFWSA-N 308.385 2.900 0 40 DFAB CC(C)c1ncc2c(n1)CCN([C@@H]1Cc3ccccc3[C@H]1O)C2 527618265 CCKOYAQIOKAREK-QZTJIDSGSA-N 309.413 2.616 0 40 DFAB Cc1c(F)cccc1C(=O)N1CCC[C@H]1c1ccc(O)nn1 530080649 UPKLVTKTYKDGCC-AWEZNQCLSA-N 301.321 2.607 0 40 DFAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC(CCO)CC1 558830825 GTBLEIKMPNSPLM-UHFFFAOYSA-N 316.445 2.517 0 40 DFAB C[C@](O)(CNC(=O)c1cc(F)c(F)c(F)c1)c1cccs1 80879832 QZQBCYVTJHFTJI-AWEZNQCLSA-N 315.316 2.803 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)COc2ccccc2F)n1 41122672 RVOPNFSVMUHSJP-CYBMUJFWSA-N 319.336 2.650 0 40 DFAB O=S1(=O)CC[C@@H](Oc2ccc(OCc3ccccc3)cc2)C1 40177532 BQFJJFIBVWZLKK-QGZVFWFLSA-N 318.394 2.832 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[S@@](=O)C(C)(C)C3)cc2o1 96475939 MYWNDTWNVPCHMW-QFIPXVFZSA-N 321.402 2.511 0 40 DFAB CC(C)NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 230029450 ASOMGODJEYJOFE-XSLAGTTESA-N 317.477 2.999 0 40 DFAB CC(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)nc1C 96486140 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c1ccc(CN2CC3(C[C@@H](Oc4ccccn4)CS3)C2)nc1 248115933 SJTHMCOSFUEWJT-OAHLLOKOSA-N 313.426 2.616 0 40 DFAB CC(=O)N1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 257248609 JEKWTMBFJDSYPK-GFCCVEGCSA-N 317.418 2.629 0 40 DFAB C[C@H](CC(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1 57448277 ADEMNSOIBUSECA-SJKOYZFVSA-N 314.360 2.662 0 40 DFAB CN(Cc1nccn1C(F)F)C(=O)Cc1noc2ccccc12 74140942 NRBYIYMTJMLSRX-UHFFFAOYSA-N 320.299 2.621 0 40 DFAB Cc1cc(C(=O)OC2([C@@H]3CCOC3)CC2)nn1-c1ccccc1 76090840 DAVXRJWPKJFBQD-CQSZACIVSA-N 312.369 2.907 0 40 DFAB COc1ccc(Cl)cc1[C@@H](C)NC[C@]1(O)CCSC1 95423575 OCXQJDIZONDMKN-QMTHXVAHSA-N 301.839 2.867 0 40 DFAB C[C@@H](CNC(=O)CCc1cccc(F)c1)CC1(C)OCCO1 96418647 FQAIKJHUPLBUCP-CYBMUJFWSA-N 309.381 2.664 0 40 DFAB COc1cccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1 3390851 DBUUPOLNUXIQMU-ZHACJKMWSA-N 311.337 2.890 0 40 DFAB CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(C)ccc21 5018910 ILOMSLAKZQGQCT-LJQANCHMSA-N 309.365 2.822 0 40 DFAB COc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1 5191522 LBSQUBSVJSUWQL-UHFFFAOYSA-N 309.321 2.894 0 40 DFAB C[C@H]1CC(=O)c2cnc(NC(=O)NC3CCCCC3)nc2C1 13636111 IZCKWLAKPZMEGS-SNVBAGLBSA-N 302.378 2.696 0 40 DFAB Cc1nc(-c2ccc(CN3C(=O)[C@H](C)NC3=S)cc2)cs1 14121142 SEYQFXPRCYWMBZ-VIFPVBQESA-N 317.439 2.724 0 40 DFAB Cc1cc(SCC(=O)NCCc2ccccc2)nc(S)n1 16283654 ZKIDWIIGGUUZLN-UHFFFAOYSA-N 319.455 2.525 0 40 DFAB Cc1ncsc1-c1nnc(CNC(=O)C2CCCCC2)o1 19563220 HBPXHPOIWPNTJZ-UHFFFAOYSA-N 306.391 2.698 0 40 DFAB CCOC(=O)c1cnc2c(-c3ccccc3)c(CC)nn2c1O 12115651 FJNVUAMCLCVKDM-UHFFFAOYSA-N 311.341 2.841 0 40 DFAB CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1 28842962 WUSGALWDRJKQHF-UHFFFAOYSA-N 305.422 2.521 0 40 DFAB COc1ccc(CCNC(=O)c2cccnc2SC)cc1 2630800 UQNIYLYFXZOXIK-UHFFFAOYSA-N 302.399 2.785 0 40 DFAB O=C1C=C(NCc2cccs2)C(=O)N1c1ccc(Cl)cc1 4625035 XFUHENJKPJGEEZ-UHFFFAOYSA-N 318.785 2.948 0 40 DFAB O=C(NCc1cn2ccccc2n1)c1ccnc2ccccc12 78438584 AYCZGENGWUECKX-UHFFFAOYSA-N 302.337 2.813 0 40 DFAB Cc1nnc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)s1 25255110 IVGKNCHLRXWSBY-ZDUSSCGKSA-N 319.386 2.657 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 35186 RZFMVWVJZIQCCV-UHFFFAOYSA-N 319.744 2.764 0 40 DFAB O=C1C[C@@H](Sc2ccccn2)C(=O)N1c1ccc(F)cc1F 31470 IXOMBTUFCURFHX-GFCCVEGCSA-N 320.320 2.784 0 40 DFAB Cc1nc2ccc(C(=O)NCCCOC(C)C)cc2nc1C 40473376 PSJXPULEZKDOIZ-UHFFFAOYSA-N 301.390 2.792 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)Nc1c(CC)cccc1CC 40477717 RCFJNUUJPJYDHX-LBPRGKRZSA-N 305.422 2.848 0 40 DFAB Cc1csc(CCNC(=O)CCCOc2ccccc2)n1 31849082 AKDHHDXNHKUMAB-UHFFFAOYSA-N 304.415 2.969 0 40 DFAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 101239795 DDUHZNWQDYNCKE-ZIAGYGMSSA-N 301.342 2.543 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 20730770 FQRKBLJXWUWWHH-SNVBAGLBSA-N 319.361 2.582 0 40 DFAB COc1ccc2cc(C(=O)OC(C)C)sc(=O)c2c1OC 79322 NIZDVLBOZYTKHU-UHFFFAOYSA-N 308.355 2.844 0 40 DFAB biogenic CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCCOC1CCCC1)C2 102713453 RTGRJDRBWIVOQG-HOTGVXAUSA-N 323.481 2.650 0 40 DFAB C[C@@H]1CN(Cc2cccc(C(N)=O)c2)[C@H](c2ccccc2)CO1 76148127 ZKDIKSGAHHAOQT-KDOFPFPSSA-N 310.397 2.748 0 40 DFAB O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccccc1 1601863 HHCMOYAXJFBXPH-AWEZNQCLSA-N 312.321 2.829 0 40 DFAB Cc1ccnc(NC(=O)c2ccccc2OCc2noc(C)n2)c1 78241531 HLSLWIPMMHXHEE-UHFFFAOYSA-N 324.340 2.913 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2cccnc12 78898020 KVZPDRMHNVACNE-KBXCAEBGSA-N 323.440 2.971 0 40 DFAB COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 2628831 PAOSRBLOFVMAAG-UHFFFAOYSA-N 312.369 2.714 0 40 DFAB O=C(NCc1ccncc1)C(=O)Nc1ccc(Cl)cc1Cl 3185850 GBZZZOCAFGQIQU-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 4965695 WRAHDGLSHODOFY-NSHDSACASA-N 321.808 2.863 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)C[C@@H](C)C2)c1C 7811110 NSOBXSCFJPZUAT-PHIMTYICSA-N 306.406 2.579 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)c1 782907 WMXJGAPIVYEWKU-ZDUSSCGKSA-N 307.353 2.905 0 40 DFAB CCOc1ncccc1CNC(=O)C1(c2ccc(F)cc2)CC1 23101952 GTXCQQAYZZOCHQ-UHFFFAOYSA-N 314.360 2.967 0 40 DFAB COc1ccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cc1 95421293 FQTMDUDOLUSRFJ-AAEUAGOBSA-N 302.340 2.982 0 40 DFAB Cn1nc2c(c1NC(=O)Cn1ccc3ccccc31)CSC2 61718164 OQHSYRHVYJZWLP-UHFFFAOYSA-N 312.398 2.760 0 40 DFAB O=C(CCc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1 1383341 ZUDNDJPXHAKVFW-UHFFFAOYSA-N 322.714 2.545 0 40 DFAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2N)cc1 9280325 KWBGBCYETIDCFQ-UHFFFAOYSA-N 308.341 2.715 0 40 DFAB COc1ccccc1N1CCC[C@H](NC2CCSCC2)C1=O 95398593 YVQUBFSWKVYTBE-AWEZNQCLSA-N 320.458 2.676 0 40 DFAB Cn1cnc2cc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccc21 108156279 YBOWLORMBPEARQ-VBNZEHGJSA-N 314.385 2.934 0 40 DFAB COC(=O)c1ccc2[nH]cc(I)c2c1 58041733 IZPCAXPMBYCTFR-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB in-vitro Cc1cnc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)s1 10028801 KMUPKABZZWCKLX-HWKANZROSA-N 302.355 2.875 0 40 DFAB COCCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 58245373 RJANTQXNHDQFHH-UHFFFAOYSA-N 310.397 2.626 0 40 DFAB O=C(NCCc1cccs1)c1cccc(N2CCOC2=O)c1 44966097 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CC[C@@H]1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc2O1 45795950 XNLWUNWBCVQRJB-CHWSQXEVSA-N 318.373 2.581 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c2ccccc12 11691687 WTUJEVRTQYXJPO-HNNXBMFYSA-N 321.398 2.536 0 40 DFAB CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1 12755251 NJGDSKBLWHXCFO-SCLBCKFNSA-N 323.396 2.967 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1 12740817 AZUPQXZIIJERDY-SUMWQHHRSA-N 314.385 2.622 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 8724853 CTDZRSFPOAPIQX-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB Cc1csc(NC(=O)c2ccc(N3CCCC3=O)cc2)n1 3453836 QZMBEWPNZAYGHO-UHFFFAOYSA-N 301.371 2.831 0 40 DFAB C[C@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@H]1CCCO1 49674602 PXEJUDVNXQKILK-XHDPSFHLSA-N 305.422 2.813 0 40 DFAB O=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)N1 14010031 VHADAQHCJGSTFB-ZROIWOOFSA-N 312.300 2.585 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 5391247 NIRLIFAPPHRNBS-NSHDSACASA-N 316.357 2.580 0 40 DFAB O=C1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)=NN1 14135714 SKZNGNXGMMIKJV-UHFFFAOYSA-N 309.325 2.683 0 40 DFAB COc1ccc2c(c1)CN(C(=O)NCc1ccc(C)nc1)CC2 66334236 BUYYYIHBUUDUKP-UHFFFAOYSA-N 311.385 2.667 0 40 DFAB COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O 67003056 IMLWJIMQBCXACH-UHFFFAOYSA-N 308.378 2.541 0 40 DFAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c1 4952369 SVBOEDFZCMKFEG-NSHDSACASA-N 315.325 2.585 0 40 DFAB COC(=O)[C@@H](O)[C@@H](Sc1ccccc1N)c1ccccc1 4960962 UYTWXFRKOWROEX-GJZGRUSLSA-N 303.383 2.636 0 40 DFAB Cc1noc(C)c1CNC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 67762877 WPOXIQWGAOIRTN-PXAZEXFGSA-N 322.453 2.601 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)NCc1cccc(Cl)c1 7513555 HNAMHIBVYQPAJH-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB COCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 9359669 KHTHSMFJTYXBEF-UHFFFAOYSA-N 321.446 2.882 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 8128234 PBCCMXWCTAFHME-UHFFFAOYSA-N 302.418 2.726 0 40 DFAB Cc1csc(CN2CCCN(C(=O)c3ccsc3)CC2)n1 81666977 QFUPTRRCYVYBGJ-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB C[C@H](N[C@H](C)[C@@H](C)n1cccn1)C(=O)NCCC1=CCCCC1 69592288 RPTVHLWVXYDEBS-OWCLPIDISA-N 318.465 2.817 0 40 DFAB CN(Cc1ccco1)C(=O)NCCc1ccn(-c2ccccc2)n1 69561058 XRMWWWFNHXSFMH-UHFFFAOYSA-N 324.384 2.849 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)c3c(O)cccc3Cl)cc12 69570888 VNYYNYYMOWEIRD-UHFFFAOYSA-N 316.748 2.888 0 40 DFAB c1csc(-c2nc(CN3CCC[C@H]3Cn3cncn3)co2)c1 69601136 LASOOKSFVAGEIB-ZDUSSCGKSA-N 315.402 2.659 0 40 DFAB O=C1CC[C@@]2(C(=O)Nc3nccs3)Sc3ccccc3N12 17578549 UJTXCTZEVBEAGW-AWEZNQCLSA-N 317.395 2.711 0 40 DFAB C[C@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccn1 69740697 CXQYVUFIMUJGTA-LBPRGKRZSA-N 324.336 2.653 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H](n2ccnc2)C1 69819763 UQOBHPFKESZQHK-LBPRGKRZSA-N 322.796 2.629 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)C12CCC2 96423900 WETRSUIAROHKTE-CVEARBPZSA-N 313.401 2.569 0 40 DFAB C[C@@H]1CN(Cn2ncnc2-c2ccccc2Cl)C[C@@H](C)O1 71817105 QIGFCLXBCOWYJH-VXGBXAGGSA-N 306.797 2.665 0 40 DFAB NC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 71890979 IUKFZOGBBMBGKB-QGZVFWFLSA-N 319.364 2.638 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2sccc2S(C)(=O)=O)o1 72288253 VEAXSJJNNOKTPX-AATRIKPKSA-N 311.384 2.705 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)COc1ccc(F)cc1 97372611 BIDNACJCAIQJJS-WDEREUQCSA-N 319.380 2.853 0 40 DFAB CO[C@]1(C)C[C@@H](N(C)C(=O)NCc2cnc(C)s2)C1(C)C 73868687 MSCWENXQIRGOJT-IUODEOHRSA-N 311.451 2.797 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1F 95969650 SMDQSZSACMSELK-NWDGAFQWSA-N 309.312 2.582 0 40 DFAB COc1c(Cl)cccc1NC(=O)C(F)(F)C1(O)CCC1 95981650 XFNVDKVLWQWTPB-UHFFFAOYSA-N 305.708 2.837 0 40 DFAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCCO[C@@H]2CCC[C@@H]21 75140230 INDUEYXUNTXQRK-BBWFWOEESA-N 314.385 2.674 0 40 DFAB CCCN1CCN(C(=O)Nc2c(C)nn(C(C)C)c2C)CC1 89959091 CAJYHBMAPUQXDZ-UHFFFAOYSA-N 307.442 2.640 0 40 DFAB Cc1cc(CN(C)C[C@H](c2cccs2)N2CCOCC2)no1 75603676 RVNVYIJTUIVSHX-OAHLLOKOSA-N 321.446 2.550 0 40 DFAB O=C(NCc1nccn1Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 110639435 HCLFFLJQSMJZHI-YESZJQIVSA-N 324.428 2.919 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 27791933 YIMMZEVCXCXAHH-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB Fc1ccc(F)c(-c2nnc3sc(-c4cc[nH]n4)nn23)c1 36357322 VGWFFVLFPVCXTR-UHFFFAOYSA-N 304.285 2.521 0 40 DFAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 78234576 FUYCEZGRGAVQEN-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB O[C@H](c1ccccc1)c1ccc(I)nc1 72225933 GVPHXVGZZMWHRD-GFCCVEGCSA-N 311.122 2.768 0 40 DFAB CC(C)(C)c1cc(NC(=O)[C@H]2COc3ccccc3O2)no1 69540290 ROQUBDYNRHKZAL-GFCCVEGCSA-N 302.330 2.751 0 40 DFAB Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1C 39585572 YCRWBKXVZCBAAI-UHFFFAOYSA-N 310.353 2.668 0 40 DFAB Cc1cnccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 189755352 BQEINQYGMOXOSC-DLBZAZTESA-N 310.401 2.957 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 32180928 MAQVNPIYBUKFBC-MHORFTMASA-N 317.344 2.796 0 40 DFAB COc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 225719278 DNAZUQIMEBKVLK-UHFFFAOYSA-N 308.337 2.649 0 40 DFAB CCS(=O)(=O)c1ccccc1NCc1ccccc1CO 195576105 RAYCBYYTPDUAAF-UHFFFAOYSA-N 305.399 2.585 0 40 DFAB COc1cc(C)nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)n1 569453753 KKLQFXYMDMRBIA-QWHCGFSZSA-N 313.357 2.544 0 40 DFAB CCOCCCNC(=O)c1snnc1-c1ccc(C)cc1 225775945 ORBCDSUEHDIHQF-UHFFFAOYSA-N 305.403 2.670 0 40 DFAB CCCNC(=O)c1cc2nc(C(=O)O)n(CC)c2cc1Cl 225730562 ARCREVYQAHQGPZ-UHFFFAOYSA-N 309.753 2.548 0 40 DFAB Cc1ccccc1-c1nnc2sc(C3=CCN(C)CC3)nn12 226250272 WEAFEZNSPPSBGK-UHFFFAOYSA-N 311.414 2.880 0 40 DFAB CC(C)N1CCC(Nc2ccc(CN3CCOC3=O)cc2)CC1 195557878 CHAKAUZPLWCCBM-UHFFFAOYSA-N 317.433 2.924 0 40 DFAB COc1nccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)n1 573538610 ZYJFHAFUCSUMIO-CQSZACIVSA-N 312.373 2.897 0 40 DFAB CCn1cc(NC(=O)NC[C@@H](C)Oc2ccccc2F)cn1 80616440 UXCOKIMNZGJDCX-LLVKDONJSA-N 306.341 2.631 0 40 DFAB O=S(=O)(NC1CCCC1)c1ccc(Br)c(F)c1 95067874 CBFNOBSWYUNZAS-UHFFFAOYSA-N 322.199 2.809 0 40 DFAB O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1ccco1)C2 96224515 BMGTTZCSKHICGR-GOSISDBHSA-N 311.385 2.694 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN(C)S(=O)(=O)C(C)C 96447984 AWJIDAPVPVDORJ-UHFFFAOYSA-N 308.403 2.820 0 40 DFAB C[C@H]1C[C@H](N(C)Cc2nccn2C)CCN1Cc1ccccc1 96414933 NULWCOLXZRRKEF-FUHWJXTLSA-N 312.461 2.905 0 40 DFAB Cc1sc(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1C 96428934 OJHGMAVGWCNRKB-UHFFFAOYSA-N 305.334 2.764 0 40 DFAB CCN(CCNC(=O)c1cccc(-c2noc(C)n2)c1)C(C)C 96423727 IMYPWQSHGDVSJI-UHFFFAOYSA-N 316.405 2.505 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@H](c2cccs2)N1 252516875 XMMRDVWAEOSRGS-WCUVEOEZSA-N 300.383 2.814 0 40 DFAB O=C(c1ccccc1F)N1CCC(c2ccnc3ccnn23)CC1 257305385 SPTZGBZKAQKQQD-UHFFFAOYSA-N 324.359 2.888 0 40 DFAB CC(=O)N1CCC(c2ccnc(Nc3ccc(C)cn3)n2)CC1 257283594 OYYAKXPILNCZMB-UHFFFAOYSA-N 311.389 2.650 0 40 DFAB Cc1cc2ccccc2n1CC(=O)N1CC[C@H]2NCCCC[C@H]21 257304366 SLHSFJJDOBGXTQ-SJLPKXTDSA-N 311.429 2.693 0 40 DFAB CC(C)N1C[C@]2(COCCN([C@H](C)c3ccccc3)C2)CC1=O 585103410 BVDYTKJZJQQVHZ-APWZRJJASA-N 316.445 2.707 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCCCOC1CCCCC1 24481278 SREFAMBQALPRDA-UHFFFAOYSA-N 321.446 2.794 0 40 DFAB c1ccc(CO[C@@H]2CSC3(C2)CN(Cc2ccoc2)C3)nc1 585104420 IGFZNBRLRFKXNZ-INIZCTEOSA-N 316.426 2.951 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)n1 72234512 IHEUFVGZXIYTPL-IKGGRYGDSA-N 318.465 2.536 0 40 DFAB S=C(NCc1ccc2c(c1)OCO2)N[C@H]1C[C@H]2CC[C@H]1C2 104746702 CVGGVKUKJCITBC-DRZSPHRISA-N 304.415 2.568 0 40 DFAB COCCn1nc(C)c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 90154939 IRFCFRUKQUUVSN-VXGBXAGGSA-N 308.426 2.656 0 40 DFAB CCc1ccccc1CNC(=O)Nc1cnn(-c2ncccn2)c1 78964781 CNHBABMJVDKQRP-UHFFFAOYSA-N 322.372 2.546 0 40 DFAB O=S(=O)(CCc1ccccn1)NCC1CCCCCCC1 96998926 OQHCGWAWFNTDDA-UHFFFAOYSA-N 310.463 2.904 0 40 DFAB CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc(F)cc2)cc1 97037034 LVLKSOILPSEMQQ-LLVKDONJSA-N 308.378 2.907 0 40 DFAB CCCn1nnnc1CN1CCC[C@H]1c1ccc(OCC)cc1 39987632 RWTUFYLNUFWKIH-INIZCTEOSA-N 315.421 2.819 0 40 DFAB O=C(N[C@@H]1CCC12CCOCC2)c1cc(-c2ccccc2)[nH]n1 585409815 SPBWFZJRKAKFHG-MRXNPFEDSA-N 311.385 2.766 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)CCCC2 14184390 USCDLOIYHBIUDR-UHFFFAOYSA-N 307.353 2.987 0 40 DFAB CC(C)C(=O)N1C[C@H]2CCc3nnc(-c4ccccc4)n3[C@H]2C1 19086116 OQSBCWVDNGJIIS-CABCVRRESA-N 310.401 2.547 0 40 DFAB O[C@@]1(c2ccccc2)CCN(Cc2ccccc2-n2cccn2)C1 19369786 YUYDKZFSFWGSFN-FQEVSTJZSA-N 319.408 2.966 0 40 DFAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)ncn1 536232630 MCANCYRUVRDVPN-GFCCVEGCSA-N 317.776 2.732 0 40 DFAB COc1cccc(CCNc2cc(-n3cc(C)cn3)ncn2)c1 1888913755 CHUZODPEVWJPGD-UHFFFAOYSA-N 309.373 2.634 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087127723 QJOGZVSRPGKDSL-CQSZACIVSA-N 304.438 2.567 0 40 DFAB Cc1nccc(O[C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 575607341 BLHZVXURJKUMEK-FVNWOWOISA-N 323.396 2.868 0 40 DFAB CCN(C(=O)NC[C@@H]1COc2ccccc2O1)C1CCCC1 40151581 ZKFLBNACJHGGEW-CQSZACIVSA-N 304.390 2.801 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)OCO2 40121373 QBQLHLNQUUSIHX-UHFFFAOYSA-N 314.341 2.528 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Cl)c[nH]1)CC2 31035029 AZEFVMPTSALPEA-UHFFFAOYSA-N 320.776 2.884 0 40 DFAB Cc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)s1 31686895 DSMDIVWANAEAOG-SECBINFHSA-N 303.387 2.741 0 40 DFAB O=C(NCCNc1ccc(C(F)(F)F)cn1)C1CCCC1 40510509 ZRPGDPAGYJDJOY-UHFFFAOYSA-N 301.312 2.819 0 40 DFAB Cc1ccc(-c2nc(CC(=O)NCC(C)(C)N(C)C)cs2)o1 40510391 PDZOTNDEAURURT-UHFFFAOYSA-N 321.446 2.710 0 40 DFAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21 101359502 CVYWVAYSMDKNGF-XOUADPBQSA-N 323.348 2.643 0 40 DFAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 44105 XWHYMURLILXOQE-HNNXBMFYSA-N 318.373 2.522 0 40 DFAB C[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 342767 ZFUMVOZRYHJUKG-SECBINFHSA-N 315.398 2.619 0 40 DFAB CN(C)C(=O)c1ccc(N2CC[C@@H](Cc3ccccc3)C2)nc1 78334996 AVTIDLCGVKKYIF-INIZCTEOSA-N 309.413 2.852 0 40 DFAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1F 33274037 PWOOGKIYSGUCPQ-HUUCEWRRSA-N 324.315 2.632 0 40 DFAB Cc1cc(C)n(CCC(=O)Nc2nc(-c3ccc[nH]3)cs2)n1 22142590 MQHJLTUBKUQPDG-UHFFFAOYSA-N 315.402 2.980 0 40 DFAB CN(C)[C@H](CNC(=O)C1CCCCC1)c1ccc2c(c1)OCO2 12196039 SYWOWLVWKVPKBG-OAHLLOKOSA-N 318.417 2.715 0 40 DFAB Cc1cc(S(=O)(=O)NCC2(CCO)CCCCC2)c(C)o1 97114631 GNUPIEQLOWROEE-UHFFFAOYSA-N 315.435 2.508 0 40 DFAB C[C@@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1nccs1 97114647 WGKDMWSNBICQSJ-GXFFZTMASA-N 317.414 2.939 0 40 DFAB COC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl 22624388 FBFXSNNRJWQXRE-SSDOTTSWSA-N 306.587 2.867 0 40 DFAB O=C1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCN1 23419201 ROFNHLOEBXEGSI-UHFFFAOYSA-N 320.801 2.641 0 40 DFAB O=S(=O)(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCC1 12562940 HRQJBBXNTCYMNJ-UHFFFAOYSA-N 322.361 2.798 0 40 DFAB CCOC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24760093 KRWHWPVBHVIOSP-UHFFFAOYSA-N 309.321 2.660 0 40 DFAB COc1ccc(C(=O)NCC2CC2)cc1OCc1ccccn1 24775190 RHQGSXPZFKKJTP-UHFFFAOYSA-N 312.369 2.809 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@@H]2c2ccccn2)c(C)c1Cl 55523819 ROWKIEUWMUUEKW-CQSZACIVSA-N 318.808 2.912 0 40 DFAB O=C(COC(=O)c1cccnc1Cl)Nc1ccccc1F 3254647 HNATUHYZIVZXNZ-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H]1C[C@H]1C 3228522 AIZOKUJYZRTQTE-PSASIEDQSA-N 311.765 2.795 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 25590070 NDXCVDQKGNGJAR-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB CCN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1 57121049 SBFSSQYYCOHAQT-UHFFFAOYSA-N 309.413 2.501 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nccc(=O)[nH]1 12603689 LIGHJLLRNYIDSK-AGIUHOORSA-N 324.446 2.866 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)no1 44889817 RTOLLIIYDMJXFY-SNVBAGLBSA-N 303.318 2.637 0 40 DFAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCc2sccc2C1 44895196 AGOOQIJGBHWIRP-UHFFFAOYSA-N 315.320 2.548 0 40 DFAB CC1CCC(C)(NC(=O)C2CCN(c3ncccn3)CC2)CC1 58215383 QKXHXOVCYWNTOO-UHFFFAOYSA-N 316.449 2.778 0 40 DFAB NC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 58260788 NDISOHBBWAMQAW-KRWDZBQOSA-N 323.396 2.938 0 40 DFAB CCC(CC)c1nnc(NC(=O)COc2cccnc2)s1 58244435 VVJRXHOQHFZQSB-UHFFFAOYSA-N 306.391 2.854 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)OCc1ccccc1Cl 21959124 RELHFMHGFCUEDS-UHFFFAOYSA-N 317.772 2.742 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H](C)O[C@@H](C)C1 20572903 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COC[C@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 71910726 ZWQADYIEWRCXQQ-IINYFYTJSA-N 317.838 2.745 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2F)s1 6367344 WHCKLONXIUIZCC-UHFFFAOYSA-N 308.334 2.695 0 40 DFAB C[C@H]1CN(CC(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 14083060 ZGIFAWDLIFBMCN-AOOOYVTPSA-N 300.761 2.527 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc(CNC(N)=O)cc1 21556224 TVZRYAJDIJCUHO-UHFFFAOYSA-N 301.321 2.555 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1 6757141 DQFYWHZOXWKVPY-CYBMUJFWSA-N 323.348 2.628 0 40 DFAB CCOC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1 6783812 IAJKAUGFQBVGFO-UHFFFAOYSA-N 305.758 2.714 0 40 DFAB COc1cc(C(=O)Nc2ncc(C)s2)cc(OC)c1OC 6948468 RKJLBPAMMQBSKU-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1Cc2ccccc2O1 7492013 IPLCUICIXHAWRN-QGZVFWFLSA-N 322.364 2.756 0 40 DFAB Cn1c([C@@H]2CCCN2C(=O)c2cccnc2)nc2ccccc21 68003531 QNYULOKEGHMBHR-INIZCTEOSA-N 306.369 2.946 0 40 DFAB O=C(O)c1cc(NC(=O)c2cc3c(s2)CCCCC3)n[nH]1 80669862 GQRTYUJYECQVJM-UHFFFAOYSA-N 305.359 2.691 0 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0 40 DFAB Cc1nc([C@@H](C)NC(=O)N(CCO)Cc2ccccc2)cs1 72271599 IAQJUBBKFLPPGY-GFCCVEGCSA-N 319.430 2.717 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)c1nc(Cc2ccc(F)cc2)no1 72588448 QVMFCEUDNZGKKN-SNVBAGLBSA-N 315.304 2.884 0 40 DFAB COc1nccc(N(C)C)c1NC(=O)CCCc1ccccn1 95396309 BQXUPVXEBPUVFG-UHFFFAOYSA-N 314.389 2.513 0 40 DFAB Cc1noc(C)c1[C@@H](C)N[C@@H](C)C(=O)NCc1ccccc1F 95397387 IKIQBMSQIDGKNP-PWSUYJOCSA-N 319.380 2.786 0 40 DFAB CSC[C@@H](C)NC(=O)N1CCO[C@](C)(c2ccccc2)C1 84640621 QTBOYLORECNKFO-CJNGLKHVSA-N 308.447 2.695 0 40 DFAB COc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1Cl 84714798 QMYFJSLMRNROMA-XHDPSFHLSA-N 310.825 2.695 0 40 DFAB CC[C@H](C(=O)Nc1ccc(Oc2cccnc2)nc1)N(C)C 95446564 AEMUTVPPKIOTNZ-CQSZACIVSA-N 300.362 2.548 0 40 DFAB COCCn1nc(C)c(NCc2nc3ccccc3n2C)c1C 95468757 WJKYYBWFZMTTAV-UHFFFAOYSA-N 313.405 2.645 0 40 DFAB CCc1nc([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)cs1 95408376 QQVBGGYSALDZQY-CQSZACIVSA-N 305.447 2.859 0 40 DFAB O=C(Nc1ccccc1-n1ccc(C(=O)O)n1)c1ccccc1 95970052 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O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1CCCO1 71886323 BMUXDZZLNMCCDV-WFASDCNBSA-N 309.337 2.501 0 40 DFAB Cc1cc(Cl)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1 217396600 NHSXSBHXFLMXFS-UHFFFAOYSA-N 318.185 2.893 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 41091279 BREGATZYUMZTLQ-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB O[C@@]1(CN[C@H](c2ccc(F)cc2)c2ccccn2)CCSC1 225578328 RGCXHMIPVWANKL-IAGOWNOFSA-N 318.417 2.768 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C(C)C)on1 88391530 WPHCIIZLIDHPOV-SNVBAGLBSA-N 318.381 2.609 0 40 DFAB CCOc1ccc(CNC(=S)Nc2ccc(OC)nc2)cc1 225432693 WTRSYDGERNRCEJ-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 195551095 DOIIVEYIRBJKNR-YWPYICTPSA-N 312.435 2.785 0 40 DFAB CC(C)N1CCO[C@H](COc2ccc(Br)cc2)C1 80746667 NWRUVGCREHPQNN-AWEZNQCLSA-N 314.223 2.937 0 40 DFAB CCCCn1nc(-c2cccs2)cc(C(=O)OCC)c1=O 225964083 RTMJPJNKPFZCPM-UHFFFAOYSA-N 306.387 2.949 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)Nc2cccnc2)cc1 226750899 HWZQPXMAQLINRB-ZDUSSCGKSA-N 314.341 2.677 0 40 DFAB CCOC(=O)Cn1c(C)cc(=O)c2cc(C(F)(F)F)ccc21 40175530 RPSIMMAGIBPRAS-UHFFFAOYSA-N 313.275 2.892 0 40 DFAB CCOC(=O)c1cc(-c2ccccc2Cl)nn(CC)c1=O 225964373 KWHSIJXSEADJRL-UHFFFAOYSA-N 306.749 2.760 0 40 DFAB O=C(N[C@H]1CCCC[C@@H]1O)N[C@@H]1CCCOc2cc(F)ccc21 96495761 XLLAZNIUEDXCRJ-ILXRZTDVSA-N 322.380 2.642 0 40 DFAB COC(=O)[C@@H]1c2ccc(OC)cc2CCN1C(=O)OC(C)(C)C 147148529 FNHOVKMGLPSSIE-AWEZNQCLSA-N 321.373 2.703 0 40 DFAB Cc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)o1 96227812 NYFVIIDZKPSCNG-MRXNPFEDSA-N 302.418 2.859 0 40 DFAB CCCO[C@H]1CCCN(C(=O)Cc2sc(S)nc2C)C1 49411868 CHEJRMZZHZPUDU-NSHDSACASA-N 314.476 2.700 0 40 DFAB NC(=O)C1CCC(C(=O)N2CCCC3(CCCCC3)C2)CC1 95394998 ADQGNXNSFCSEKE-UHFFFAOYSA-N 306.450 2.851 0 40 DFAB O=C1NCCN(Cc2ccccc2OC2CC2)c2ccccc21 578604257 QKOGLECGUKCBKS-UHFFFAOYSA-N 308.381 2.978 0 40 DFAB CC[C@](Br)([C@H](O)c1ccccc1C)S(C)(=O)=O 96521551 ZFFXKKLJRRLSLI-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)Nc1cc(F)c(F)c(F)c1 96435201 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CC(=O)N1CCCC[C@@H]2N(CC3(O)CCCCC3)CCC[C@@]21C 585284467 SLHBPDGCIVFFJR-ROUUACIJSA-N 322.493 2.937 0 40 DFAB O=C(CN1CCO[C@@H]2CCCC[C@H]21)Nc1ccccc1Cl 63567030 UOQXWOAZTINDHE-HUUCEWRRSA-N 308.809 2.922 0 40 DFAB N[C@@H]1C[C@@H](NC(=O)c2ccc(C3CCOCC3)cc2)C12CCC2 1580163041 IWXUJDYSIOUKGO-IAGOWNOFSA-N 314.429 2.580 0 40 DFAB C[C@@H]1C[C@@H](NCc2ccc(CO)o2)CCN1Cc1ccccc1 96456807 QHLLEJNLRGXVNV-WBVHZDCISA-N 314.429 2.915 0 40 DFAB Cc1cccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c12 5626130 ZGIDBASOOXRERH-UHFFFAOYSA-N 310.328 2.906 0 40 DFAB COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1cccc(OC)c1 12650176 BMUPTTCIMBBUQJ-CYBMUJFWSA-N 323.389 2.552 0 40 DFAB CCc1cnccc1CNC(=O)[C@H]1CCN(Cc2ccccc2)C1 571296478 QPOSNHSIDYDYFG-IBGZPJMESA-N 323.440 2.782 0 40 DFAB Nc1nc(SCCOc2ccc(Cl)cc2Cl)n[nH]1 6605866 ABSIQSJTWUTSTR-UHFFFAOYSA-N 305.190 2.865 0 40 DFAB c1ccc(N2C[C@@H]3CCN(c4nnc(C5CC5)s4)[C@@H]3C2)nc1 1889096359 SBZBACOLZGNNPC-QWHCGFSZSA-N 313.430 2.526 0 40 DFAB CSc1ncc(Cl)c(C(=O)OCc2c(C)noc2C)n1 21582300 GXTUDRMUYDUBGP-UHFFFAOYSA-N 313.766 2.814 0 40 DFAB O=C(NCCn1ccc2ccoc2c1=O)c1c[nH]c2ccccc12 244986130 JHMOXQFQTQXINW-UHFFFAOYSA-N 321.336 2.506 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 60237373 FRXPNNABKWJRPN-ZDUSSCGKSA-N 304.390 2.750 0 40 DFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1cccs1 22765823 UFAVFOLTDNUYDK-CYBMUJFWSA-N 322.455 2.613 0 40 DFAB O=C(Cc1ccc(F)cc1)NC1CCC(n2cccn2)CC1 618256197 FDTWJAHUBJEQAR-UHFFFAOYSA-N 301.365 2.865 0 40 DFAB O=C(Nc1ccn2nccc2c1)c1ccc(Br)o1 217955583 CXSFVRZPNPKRRL-UHFFFAOYSA-N 306.119 2.942 0 40 DFAB COc1cccc(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 40108332 ISCTZBMOIZNFQB-WMLDXEAASA-N 305.418 2.949 0 40 DFAB COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1 20149862 IDOCAFDEDCINIC-UHFFFAOYSA-N 316.426 2.715 0 40 DFAB COc1cccc([C@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)c1 100184163 ZJMZUOCBTFCXPK-MRXNPFEDSA-N 323.331 2.877 0 40 DFAB Cc1csc(CCNC(=O)COc2cccc(C)c2C)n1 31849140 DNZITIVZPIPILC-UHFFFAOYSA-N 304.415 2.806 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1cc(C)no1)c1ccsc1 31986498 JCMGUFLURSADOJ-ZDUSSCGKSA-N 307.419 2.857 0 40 DFAB O=C(COc1cccc2[nH]ccc12)Nc1ccc2c(c1)OCCO2 20717323 DJNCUJIKPZSGOA-UHFFFAOYSA-N 324.336 2.957 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C)C(=O)NC2CCCCCC2)c1 32958635 PURPTOQWUPOIED-AWEZNQCLSA-N 302.418 2.952 0 40 DFAB COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 191373 DJFMCUGZQPGNRA-UHFFFAOYSA-N 315.712 2.927 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2c1ccn2C 69592490 UYTPEPSFRGLMMD-MSOLQXFVSA-N 311.429 2.877 0 40 DFAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)C(C)C)CC1=O 21871802 GFFZAXQZBOPAOE-KGLIPLIRSA-N 318.417 2.517 0 40 DFAB CC(C)(C)SC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1873064 VZQPQMYTSLCEFW-GFCCVEGCSA-N 311.403 2.898 0 40 DFAB CC(=O)c1cn([C@H](C)C(=O)NC[C@@H]2CCCO2)c2ccccc12 6957489 CYTWFSKYADGCEP-OCCSQVGLSA-N 314.385 2.700 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)c1ccccc1Br 37329871 SOWUFEKKLPHTBH-UHFFFAOYSA-N 312.163 2.576 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23077957 SWQRXIRXRCMEGM-LRDDRELGSA-N 304.415 2.696 0 40 DFAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2ncnn12 10338720 IPKPYFMVZGWPKP-UHFFFAOYSA-N 321.262 2.704 0 40 DFAB CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c(C)noc2C)C1 69619987 CVPWOAPKOAXASA-AWEZNQCLSA-N 307.438 2.922 0 40 DFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccco1 8327136 CEIPFOCXBDUOHE-UHFFFAOYSA-N 307.733 2.563 0 40 DFAB COc1ccc(OCC(=O)Nc2ccc(F)cc2OC)cc1 25309921 OCQCUKPENVXYOY-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCSCC(N)=O 23081970 XJJLKUDCZBRJEM-UHFFFAOYSA-N 322.474 2.551 0 40 DFAB COc1ccc(-n2nnnc2C(C)(C)NCc2ccccc2)cc1 35622205 DNZAANIVHXLERW-UHFFFAOYSA-N 323.400 2.696 0 40 DFAB Fc1ccc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)cc1 20661912 MTOJMNMRKVIATD-ZDUSSCGKSA-N 313.336 2.546 0 40 DFAB Cc1noc(C)c1NC(=O)c1ccc(OCC(F)(F)F)nc1 58195183 BVNPOUPSBSPBCT-UHFFFAOYSA-N 315.251 2.880 0 40 DFAB NC(=O)NC(=O)CCN1CCC[C@@H]1c1cccc2ccccc12 58137475 SSGWSJZTQLUPEC-MRXNPFEDSA-N 311.385 2.562 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 44912987 DWCZXQZYUCKRSS-IINYFYTJSA-N 316.332 2.592 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1 58342379 VCPHZVMQVZAORJ-CQSZACIVSA-N 321.377 2.898 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccncc2)c1 58311215 NFEOWCBGBQCODX-JSGCOSHPSA-N 312.369 2.929 0 40 DFAB C[C@@H]1CCCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 48274524 FNOFOBIFABKVAR-CYBMUJFWSA-N 323.400 2.753 0 40 DFAB COc1ccc(-c2nnsc2C(=O)NCc2ccco2)cc1 36357774 GCCICXLYACMWCA-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB CCN1CCC[C@@H]1CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 3364495 YXQXOGNTWGGNGU-MRXNPFEDSA-N 324.490 2.683 0 40 DFAB CN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O 28511719 AWXGQSVVAVQDDB-INIZCTEOSA-N 305.337 2.724 0 40 DFAB CCc1sc([C@@H]2N[C@H](C(=O)O)CS2)cc1Br 36612366 TYQDAKWUXOJSMN-IMTBSYHQSA-N 322.249 2.861 0 40 DFAB CC(C)(CNc1ncnc2cc(Cl)ccc12)N1CCOCC1 12898034 ADILUOAVYNZMQQ-UHFFFAOYSA-N 320.824 2.806 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1F 3435736 TZXNZYQPLVFWKY-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1F 3504263 FFDLDENDXXIEJA-HNNXBMFYSA-N 302.349 2.986 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)n1 23053411 WWOCWVXXSUNDIO-UHFFFAOYSA-N 313.401 2.522 0 40 DFAB Cc1noc([C@@H](C)NC(=O)c2ccccc2N2CCCCC2)n1 69844753 IYBZPEQNRUDZEW-GFCCVEGCSA-N 314.389 2.859 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 69951644 RCFYSSLAXWBLOB-AWEZNQCLSA-N 323.400 2.799 0 40 DFAB Cc1n[nH]c(C(=O)N(C)[C@H](C)C(C)(C)C)c1Br 48890948 RCVSZKRZIPYYJI-MRVPVSSYSA-N 302.216 2.987 0 40 DFAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1ccccc1F 63107004 HEJIIJZUFISCNU-CQSZACIVSA-N 317.360 2.612 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CCC3=C([C@H](C)OC3=O)N1CC2 4028296 BTYBADZGKGWDHC-IINYFYTJSA-N 315.369 2.596 0 40 DFAB biogenic O=C(O)c1ccc(Cl)c(NCn2nnc3ccccc32)c1 4015186 PZHAJHXODQNVGX-UHFFFAOYSA-N 302.721 2.853 0 40 DFAB O=C(O)C[C@@H](c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 4178987 QRILPICDYUIUCJ-AWEZNQCLSA-N 313.284 2.638 0 40 DFAB CC(C)Cn1ccc2cc(NC(=O)C(=O)c3cnn(C)c3)ccc21 65475701 DRWBYIBBFDAZPV-UHFFFAOYSA-N 324.384 2.852 0 40 DFAB Cc1noc([C@@H](NC2CCN(c3nccs3)CC2)C(C)C)n1 96004926 RDTRGDHSQXNXKL-ZDUSSCGKSA-N 321.450 2.790 0 40 DFAB c1cnn(Cc2ccc(CN3CCC4(CCNCC4)C3)cc2)c1 67654235 LEEVETSQBLWUKI-UHFFFAOYSA-N 310.445 2.507 0 40 DFAB Cc1noc(C)c1CNC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 67762873 WPOXIQWGAOIRTN-SJCJKPOMSA-N 322.453 2.601 0 40 DFAB COc1ccc([C@H]2C[C@H](c3cccs3)n3nnnc3N2)cc1 15866512 AOLHYDHOXLBAOA-CHWSQXEVSA-N 313.386 2.890 0 40 DFAB O=C1O[C@@H](C(=O)NCc2ccccc2)Cc2ccc(Cl)cc21 8020871 RRSCRYUILOQXBP-OAHLLOKOSA-N 315.756 2.738 0 40 DFAB Cc1cccc(C2(C(=O)NCc3nnc4n3CCC4)CCCC2)c1 69350018 QQPDJLCVUTXKFC-UHFFFAOYSA-N 324.428 2.661 0 40 DFAB CCN1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 69442778 HDPAMYUPTYNELS-UHFFFAOYSA-N 311.385 2.652 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2c[nH]nc2-c2ccc(F)cc2)c1 69490090 FNHDNUVHXFLFFT-CYBMUJFWSA-N 313.380 2.899 0 40 DFAB CNC(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 8424174 XYEWKXXHVRKWDY-UHFFFAOYSA-N 312.369 2.844 0 40 DFAB CCc1n[nH]c(SCC2CCN(C(=O)C(C)(C)C)CC2)n1 97139631 ZWZKTYOCNVYSAV-UHFFFAOYSA-N 310.467 2.744 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)CC(C1CC1)C1CC1)C2 71864930 LVECCRPEAZZYEF-UHFFFAOYSA-N 302.422 2.570 0 40 DFAB COc1ccc(CC[C@@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1 71836964 VAGVOEXCYSLHQK-RDTXWAMCSA-N 312.413 2.833 0 40 DFAB Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2C2CCC2)sc1C 408497504 JJOKJVADAQQZNC-NWDGAFQWSA-N 313.444 2.606 0 40 DFAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1NC(C)=O 71916679 SAUBLZFUBKLYEH-OAHLLOKOSA-N 310.353 2.932 0 40 DFAB COC[C@@H](NC(=O)NCc1cnc(C)s1)c1ccc(C)o1 84195209 IMUUOZLDDWSTFU-GFCCVEGCSA-N 309.391 2.540 0 40 DFAB COc1ccccc1Oc1ccc(N[C@H](C)C(N)=O)cc1F 97085761 ZLQABJUKOZHCLC-SNVBAGLBSA-N 304.321 2.912 0 40 DFAB CC[C@H]1CN(C(=O)NCc2ccc(COC)c(F)c2)C[C@H](C)O1 95395171 LSYGSKCAGBVSTH-WFASDCNBSA-N 324.396 2.681 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@@H]1N(C)C 84714358 NGTHMWNODQMEPB-NHYWBVRUSA-N 317.820 2.910 0 40 DFAB OC[C@H]1CCC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 95403285 BJKNXGMCXNDLQL-HIFRSBDPSA-N 310.401 2.600 0 40 DFAB OC[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccco1 95437398 JQTMJNFXFSLTNK-NSHDSACASA-N 301.264 2.843 0 40 DFAB Clc1cnc(NCCNc2ncnc3ccccc23)nc1 95406794 YYCZNSXJJVWQAS-UHFFFAOYSA-N 300.753 2.597 0 40 DFAB CCn1cc(C(=O)Nc2cccc(C(=O)O)c2)c(C(C)C)n1 95970343 AHDTUKDYKHXPLI-UHFFFAOYSA-N 301.346 2.977 0 40 DFAB O=C(COc1ccccc1F)NCCCc1ccc(O)cc1 74582791 WDOWVWQXIMOFLY-UHFFFAOYSA-N 303.333 2.659 0 40 DFAB Cc1cc([C@H](C)NC(=O)N(C)C[C@H](O)C2CC2)cc(C)c1F 89587184 CRGSANNAEOLKJM-WFASDCNBSA-N 308.397 2.916 0 40 DFAB Cc1nc2cc(NC(=O)N(CCO)c3ccccc3)ccc2n1C 409145592 IVYNKJWZPVMFCO-UHFFFAOYSA-N 324.384 2.913 0 40 DFAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(N)=O 22534235 CZTOZZDLIVOKFH-HNNXBMFYSA-N 316.332 2.721 0 40 DFAB CCOC(=O)c1nn(CCC(F)(F)F)cc1Br 408715570 BSYUHYKXSYEKNN-UHFFFAOYSA-N 315.089 2.775 0 40 DFAB CC(C)(C)OC(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 32628385 NKPORTGDSYEEKA-UHFFFAOYSA-N 315.373 2.811 0 40 DFAB CS(=O)(=O)Nc1ccccc1C1=NN[C@H](c2cccs2)C1 31810870 QQWDXTCJTDJYCE-ZDUSSCGKSA-N 321.427 2.558 0 40 DFAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 72227346 HEIHGSLMAMKPIP-UONOGXRCSA-N 317.186 2.864 0 40 DFAB COC(=O)c1ccccc1Oc1ccc(N)cc1C(=O)OC 72232900 RLWRZAZMFRUEIM-UHFFFAOYSA-N 301.298 2.634 0 40 DFAB COc1ccc(NC(=O)c2ccc3c(c2)ncn3C)c(OC)c1 74705626 SUXMZPRVWIDMKC-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB C[C@H]1CCN(CC(=O)N(Cc2cccnc2)Cc2ccco2)C1 563388713 ZGSVBMVZORZEAN-HNNXBMFYSA-N 313.401 2.545 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1 42646567 PTTDDAURASHPID-UHFFFAOYSA-N 300.358 2.832 0 40 DFAB Cc1cc(NC(C)C)nc(COc2cccc(C(=O)O)c2)n1 226105838 VMPRHUZGQLBWSY-UHFFFAOYSA-N 301.346 2.883 0 40 DFAB CC[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1cnn(CC)c1 195544757 SCSVYCHVEIOLFQ-IRXDYDNUSA-N 313.401 2.784 0 40 DFAB COc1ccccc1[C@H](C)CNC(=O)N[C@H]1CC[C@@H](N(C)C)C1 195547984 JZKZZYNTORWXDU-QLFBSQMISA-N 319.449 2.581 0 40 DFAB Cc1cc(C(F)(F)F)ccc1CNC[C@@]1(O)CCSC1 191009766 MTAGLSHGRHDYEH-ZDUSSCGKSA-N 305.365 2.971 0 40 DFAB COC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn2C1 96219698 QGKRBSDGAGIKAW-CYBMUJFWSA-N 323.799 2.954 0 40 DFAB O=C(N1CCCC1)N1CC[C@]2(CCCN(c3ccccn3)C2)C1 96216813 NCURYMUZCDXWTO-SFHVURJKSA-N 314.433 2.590 0 40 DFAB O=C(c1ccncc1)N1CCC2(CCCN2CC2CCC2)CC1 96063190 MAHHFKLJAOFNOK-UHFFFAOYSA-N 313.445 2.952 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCCC2)nc1)C1CC1 96502480 HNYDLKGDMSMICK-GFCCVEGCSA-N 316.405 2.628 0 40 DFAB O=C(NC[C@@H](CO)Cc1ccccn1)Nc1ccccc1Cl 96455476 AZTNXDJUXROFAG-LBPRGKRZSA-N 319.792 2.708 0 40 DFAB CC[C@](Br)([C@H](O)c1ccccc1)S(=O)(=O)CC 96521602 NXTXLHDRRCMCRW-VXGBXAGGSA-N 321.236 2.656 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)noc1Cl 96417107 PYEJRSCLIYTEPW-WDEREUQCSA-N 302.827 2.969 0 40 DFAB COCC[C@H]1CCOC2(C1)CN(C(=O)c1ccccc1C)C2 248159415 NSQKHVSGTYLKGA-HNNXBMFYSA-N 303.402 2.653 0 40 DFAB CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 257204297 ATWYMNNIKLLJGQ-IIDMSEBBSA-N 317.433 2.591 0 40 DFAB Cc1cc([C@@H]2CN(Cc3ccc(F)cc3F)CCO2)nc(C)n1 257307597 SZKIDILUOBJJAA-KRWDZBQOSA-N 319.355 2.945 0 40 DFAB FCCn1ncnc1CN1CC[C@H](Cc2ccc(F)c(F)c2)C1 252496835 PSSNCUFPQPMBPX-CYBMUJFWSA-N 324.350 2.590 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@H]1C[C@H]1C(=O)O 262358578 CPLMRTQTTKBYFF-MJBXVCDLSA-N 315.394 2.869 0 40 DFAB O=C(O)[C@@H]1CCN(Cc2cc(CO)ccc2F)c2ccccc21 530163955 AXTGFWGNHWUWBT-OAHLLOKOSA-N 315.344 2.897 0 40 DFAB COc1cccc(-c2nc(CNCCn3cccn3)cs2)c1 69819986 ICEXQKWUPVLZSV-UHFFFAOYSA-N 314.414 2.805 0 40 DFAB O=C(Nc1cccc(-c2noc(O)n2)c1)c1ccc2[nH]cnc2c1 70039563 DGRQFSZEVFFXIQ-UHFFFAOYSA-N 321.296 2.571 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2COc3ccccc3C2)c1C 45786358 ZDMPGCGLUOKQLA-AWEZNQCLSA-N 312.369 2.568 0 40 DFAB CCOc1ccc(-c2noc(CN3C[C@H](C)OC[C@@H]3C)n2)cc1 45785748 ORHABBUFSMVTBN-STQMWFEESA-N 317.389 2.745 0 40 DFAB CN(C)C1(CNCc2ccc(C(N)=O)cc2)CCCCCC1 48683219 ZDLMYGIPHFNVMG-UHFFFAOYSA-N 303.450 2.530 0 40 DFAB COc1cc([C@@H](C)Nc2cc(C)nc(C)n2)ccc1OCCO 52488737 VKNIGBFIQCIJBF-GFCCVEGCSA-N 317.389 2.646 0 40 DFAB Clc1ccccc1N1CCN(Cc2noc(C3CC3)n2)CC1 53602417 KVCRTJZAXKAKEI-UHFFFAOYSA-N 318.808 2.923 0 40 DFAB O=c1ccc(Br)cn1Cc1ccc(F)c(F)c1 72751117 QRPZINOUJSRNMD-UHFFFAOYSA-N 300.102 2.937 0 40 DFAB CCN1CCN(C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 74915851 SCWZMHHUFHTQQG-UHFFFAOYSA-N 324.428 2.596 0 40 DFAB Cc1csc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 38679384 MGVIBZFUWNPPQQ-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB C[C@H]1CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C[C@@H](C)O1 40292418 HTNXQQMSWWRTNJ-OCAPTIKFSA-N 303.189 2.825 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC(Oc2ccncc2)C1 589987386 DCXWDFUIOBDNDY-UHFFFAOYSA-N 302.761 2.567 0 40 DFAB Cc1cccc(C)c1NC(=O)C(=O)NCc1ccc(F)cc1 5184246 DEQGXHMINVPEAW-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB COc1ccc2cc(CNc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 12566084 NDUYZYHZMUJTML-UHFFFAOYSA-N 324.336 2.878 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccs1 12769890 PUTLIVZLQLNQOF-ZDUSSCGKSA-N 316.426 2.615 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 13117173 BAAIHOASGSSDQN-AOOOYVTPSA-N 323.336 2.503 0 40 DFAB Cc1ccc(C2(CN3CCN(C[C@@H]4CCOC4)CC3)CC2)cc1 19208405 BGAVAXFUUXJVIM-SFHVURJKSA-N 314.473 2.681 0 40 DFAB Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@H]1CNCCO1 157612810 YUIHUEQYQIUGRQ-RDJZCZTQSA-N 304.434 2.577 0 40 DFAB COC[C@H](C)NCc1cc(-c2ccc(Cl)cc2)c[nH]c1=O 12187447 VQXWXRSEQLPPGX-NSHDSACASA-N 306.793 2.820 0 40 DFAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCN(c3ccccn3)C2)n1 2037666360 YVLMLUGKJRKYOU-CQSZACIVSA-N 320.400 2.872 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNc1nnnn1-c1ccccc1 52280750 ONZYBTOBUZTXSS-UKRRQHHQSA-N 301.394 2.670 0 40 DFAB COc1ccc(N2C[C@@H](NC(=O)c3ccc(C)cc3)CC2=O)cc1 5195227 LABKFVBKDVNICJ-HNNXBMFYSA-N 324.380 2.539 0 40 DFAB O=C(O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 26423702 YJKMNHHPEIBUHY-UHFFFAOYSA-N 311.359 2.884 0 40 DFAB CCOc1ccc(-c2nc(C(=O)N[C@@H](C)COC)cs2)cc1 40074801 NRKOYDQGPYVSDA-NSHDSACASA-N 320.414 2.974 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@H](C)CO1 40082884 KGPIMOXXMQRSRH-MNOVXSKESA-N 319.792 2.980 0 40 DFAB COc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 40050796 GTWYJEZKHPKHAA-QWRGUYRKSA-N 302.296 2.941 0 40 DFAB CC[C@H]1CCc2nc(NC(=O)[C@H](NC(C)=O)C(C)C)sc2C1 40145866 DEYPGXPXUTVSGQ-SMDDNHRTSA-N 323.462 2.757 0 40 DFAB CC(C)COCCCNC(=O)c1cc(Br)cn1C 40422267 UVXQZDBJBQCAFY-UHFFFAOYSA-N 317.227 2.580 0 40 DFAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 40539217 LNLHUCMDOSEPKD-ZDUSSCGKSA-N 310.781 2.691 0 40 DFAB Cc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)nc1 32826536 CVMYPCLILFYBCY-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB N=C(N)c1cc2c(I)cccc2s1 17086 YERQOXAYAFWFEJ-UHFFFAOYSA-N 302.140 2.790 0 40 DFAB in-vivo CCCC1=NN(C(=O)c2cccc(O)c2)[C@@](O)(C(F)(F)F)C1 108419 QQUZGIUSOJXYRJ-ZDUSSCGKSA-N 316.279 2.645 0 40 DFAB O=C(CSc1ccc(F)cc1)NC(=O)NCc1ccccc1 2620472 YMEGKHHEEYUYAQ-UHFFFAOYSA-N 318.373 2.944 0 40 DFAB O=C(CNC(=O)c1cccs1)OCc1ccccc1Cl 564406 ODLFAOLWLAEVOU-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCc2ccccc21 33056531 RMUUVDWRHZOVCX-LIRRHRJNSA-N 322.408 2.558 0 40 DFAB CC(=O)NCCCS[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 78758469 FRZHKLKRGFILBI-STQMWFEESA-N 320.458 2.612 0 40 DFAB C[C@H](c1nc(Cc2ccccc2)no1)[S@](=O)c1nccs1 78987566 VQMHUPSIZRFKOZ-LADRHHBVSA-N 319.411 2.986 0 40 DFAB CCOC(=O)C1CCN(C(=O)CSCc2ccccc2)CC1 3633888 BOUDVOYIIDEVAP-UHFFFAOYSA-N 321.442 2.722 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1ccc(-n2cnc3ccccc32)cc1 22461572 UWNIJNUKKVWEPT-INIZCTEOSA-N 321.380 2.934 0 40 DFAB COc1ccc(C(C)=O)c(OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 6900962 PIEWKZKPAFNHPR-LRDDRELGSA-N 319.401 2.972 0 40 DFAB Cc1cc(C(=O)NCC(=O)OCc2ccccc2)sc1C 22738373 LODMBIIQNDOAAI-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB CCC(=O)Nc1cccc(C(=O)Nn2cnc3ccccc32)c1 59363323 ZEGIWGIWYKMFRV-UHFFFAOYSA-N 308.341 2.769 0 40 DFAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cn[nH]c1 97117126 AOLLFLUTNZVJQX-UHFFFAOYSA-N 306.174 2.658 0 40 DFAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 108533889 VHQFZXJPOFUZNX-MAUKXSAKSA-N 304.409 2.906 0 40 DFAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cccc2cnccc12 106762321 CJWIZROFHSTQFH-KCQAQPDRSA-N 323.396 2.726 0 40 DFAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)/C=C/c1cccs1)CCO2 107720595 NRJHBWNQRWLXAR-UDYHLXGFSA-N 307.415 2.556 0 40 DFAB Cc1cccn2c3c(c(=O)nc12)[C@@H](c1ccc(F)cc1)CC(=O)N3 100193430 HWDXAEMAFHZAKS-CYBMUJFWSA-N 323.327 2.616 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(F)cc1C 12526280 OWXXLOGMASYLQC-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1cc(N[C@@H](C)c2nc(C)no2)ccc1N1CCCC1=O 26985700 WEFVKOREZKICLD-JTQLQIEISA-N 316.361 2.687 0 40 DFAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1F 58140804 REGPDEATFRKDFX-QGZVFWFLSA-N 314.404 2.657 0 40 DFAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2cccs2)no1 101584574 NROCSRDQJJYICO-DCAQKATOSA-N 301.371 2.740 0 40 DFAB Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc[nH]n1 58289873 GIFQZZVOHVECCA-UHFFFAOYSA-N 316.430 2.519 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)CC1(C(=O)O)CCCC1 12685936 AEVLENOFODRAFL-UHFFFAOYSA-N 319.357 2.837 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1csc(-c2ccco2)n1 48263435 KSSPBNZWLFXXPQ-NSHDSACASA-N 306.387 2.902 0 40 DFAB Cc1sc2ncnc(Nc3nc(CC(N)=O)cs3)c2c1C 48264093 ZLFLLLOHCVBVNV-UHFFFAOYSA-N 319.415 2.536 0 40 DFAB O=c1ccccn1Cc1nnc(-c2cc3c(s2)CCCC3)o1 48230004 AMNZFOUFCJDTKL-UHFFFAOYSA-N 313.382 2.887 0 40 DFAB CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 22530674 UQLQOKCZMPJYOJ-SECBINFHSA-N 318.826 2.630 0 40 DFAB CCOc1ccc(CN(C)CC(=O)NCc2ccccc2)cc1 3345698 ORODIZYHCJJQPX-UHFFFAOYSA-N 312.413 2.834 0 40 DFAB O=C(COC(=O)COc1ccccc1)Nc1ccc(Cl)cc1 3388872 XENVPKWHBCUHTD-UHFFFAOYSA-N 319.744 2.901 0 40 DFAB COc1ccc(CN(C)C(=O)C(=O)c2ccc(C)cc2)cc1F 12854703 DBDCFCVNRJMCAW-UHFFFAOYSA-N 315.344 2.984 0 40 DFAB CC(=O)c1ccc(OCCCC(=O)NCc2ccco2)cc1 3453043 QWIGWAIAEXIUJF-UHFFFAOYSA-N 301.342 2.958 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(F)cc(F)c1 5060983 BZFNWXBUGTYUNU-UHFFFAOYSA-N 307.252 2.711 0 40 DFAB C[C@@H](CCc1ccccc1)NCc1ccc2c(c1)n(C)c(=O)n2C 13726111 QNFIDZUQISANRE-HNNXBMFYSA-N 323.440 2.988 0 40 DFAB COc1ccc(Cl)cc1NCCC(=O)Nc1c[nH]nc1C 65610974 AIUWNGIKEYQQDE-UHFFFAOYSA-N 308.769 2.821 0 40 DFAB CCN(CC)c1ccc(NC(=O)CSc2nnc(C)[nH]2)cc1 5408375 WOBYXZAPKLIQOY-UHFFFAOYSA-N 319.434 2.690 0 40 DFAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 408996780 ANZGXEQAWXICII-VNHYZAJKSA-N 304.390 2.858 0 40 DFAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@@H]2C)cc1 71856471 OGJXIHRXKGXFFI-DZGCQCFKSA-N 320.458 2.972 0 40 DFAB Cc1c(CCC(=O)N2CCCC2)c(=O)oc2c(C)c(O)ccc12 4743337 TUMKGTFVVZQHAR-UHFFFAOYSA-N 315.369 2.670 0 40 DFAB Cc1cc(NC(=O)Cc2ccc(Br)cc2)n(C)n1 27934274 WIWHYNVEDRLTTI-UHFFFAOYSA-N 308.179 2.672 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC1CCN(CCC(F)(F)F)CC1 96003174 LTRAHJNRDMFPSZ-ZIAGYGMSSA-N 308.388 2.950 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H](CO)C1 96003129 VSISCRULVPIGOU-QMMMGPOBSA-N 320.723 2.788 0 40 DFAB CNC(=O)[C@H](C)CN(C)Cc1cc(F)cc(C(F)(F)F)c1 93899330 JCCTVCAPEKGCJZ-SECBINFHSA-N 306.303 2.658 0 40 DFAB C[C@@H](Cn1cncn1)N[C@H]1CCc2c(Br)cccc21 91311799 GYBSWFGTANYTDE-HZMBPMFUSA-N 321.222 2.706 0 40 DFAB O=C(CCNc1ncccn1)N[C@@H]1C[C@@H]1c1ccccc1Cl 69435858 XXSOLMFZQKTKHF-TZMCWYRMSA-N 316.792 2.604 0 40 DFAB Cc1nnc([C@@H](C)N2CCCN(Cc3ccc(F)cc3)CC2)o1 69435110 URBDNYACKSDDTD-CYBMUJFWSA-N 318.396 2.786 0 40 DFAB CC(C)(C)c1cc(NC(=O)[C@H]2CCCO2)n(-c2ccccn2)n1 69414505 ORELIJGYGIOJRA-GFCCVEGCSA-N 314.389 2.682 0 40 DFAB O=C(NCC12CCC(C(=O)O)(CC1)C2)OCc1ccccc1 306145338 BVFWSASBUKFZBL-UHFFFAOYSA-N 303.358 2.948 0 40 DFAB O=C(NCc1ccsc1)N[C@@H]1CCN(c2ccccc2)C1 72270073 YPTNPGCSCRKHBX-CQSZACIVSA-N 301.415 2.826 0 40 DFAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](CO)C1 84410478 LYMDKCPYHMCMGA-RDJZCZTQSA-N 322.424 2.807 0 40 DFAB Cc1oc(C(=O)NC(C)(C)C(=O)O)cc1COc1ccccc1 95424414 WAGDBVIWCFJBIO-UHFFFAOYSA-N 317.341 2.760 0 40 DFAB O=S(=O)(Cc1ccccc1C(F)(F)F)C[C@H]1CCCO1 95948635 JRNQWGFBBOCUAB-LLVKDONJSA-N 308.321 2.799 0 40 DFAB O=C(N[C@@H]1COc2ccccc2C1=O)C1CCC(F)(F)CC1 95986932 MIKMQHKGENQEJN-GFCCVEGCSA-N 309.312 2.572 0 40 DFAB CO[C@H]1CCCN(C(=O)[C@H](C)n2ccnc2-c2ccccc2)C1 95981259 SNAGDJXVBAZBKU-HOCLYGCPSA-N 313.401 2.749 0 40 DFAB CCc1cnc(CN(C)C(=O)NCCc2cccc(O)c2)s1 89289658 APRWYSQWUSKFDF-UHFFFAOYSA-N 319.430 2.795 0 40 DFAB Cc1nc(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)n[nH]1 75139671 ZUVGXDNCZUHKTR-UHFFFAOYSA-N 309.329 2.861 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)c1 72368482 YJHUOPXINLKEJY-HNNXBMFYSA-N 313.401 2.660 0 40 DFAB CCN(CC)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1F 32611407 PUDVSYUBAQJIEE-GFCCVEGCSA-N 314.376 2.580 0 40 DFAB COC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)OC(C)(C)C 38927949 SJIKVTQQVPLJEA-AWEZNQCLSA-N 323.389 2.618 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cn1 72330269 FADDABQLCRVKNM-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB CCc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218520857 JFKFYIUGODNXAZ-FGTMMUONSA-N 315.438 2.824 0 40 DFAB Cc1ccnc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)c1 72239804 DXPARCBMIIGNTN-UHFFFAOYSA-N 311.389 2.731 0 40 DFAB c1ccc(CN2CCC[C@H]2c2ccc(N3CCNCC3)nc2)cc1 72216272 POFLDLVBJKEMKI-IBGZPJMESA-N 322.456 2.828 0 40 DFAB c1cncc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 72389981 XJHXIPJHJJFOMY-INIZCTEOSA-N 321.384 2.906 0 40 DFAB O=C(OC1CCOCC1)c1ccc(-n2cnc3ccccc32)nc1 181392514 WLUFFBYFGLSDAK-UHFFFAOYSA-N 323.352 2.756 0 40 DFAB CS(=O)(=O)c1ccccc1N1CCC[C@H]1c1ccccn1 530669378 QTKVVBWNMPFUAK-AWEZNQCLSA-N 302.399 2.827 0 40 DFAB O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCC[C@H]1c1cc[nH]n1 329088654 IABWLKZPXDQWLR-URLQWDBASA-N 323.396 2.814 0 40 DFAB CC(C)NC(=O)[C@]1(C)CC(c2cnc(-c3ccccc3)nc2)=NO1 226083000 DHXSZYGFBDHLHD-SFHVURJKSA-N 324.384 2.551 0 40 DFAB COC(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)OC 136764065 BRFFSSUSXULUFZ-INIZCTEOSA-N 313.825 2.704 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2cc(Cl)ncn2)CC1 40434298 NAQFSDLJNKKZAA-UHFFFAOYSA-N 312.801 2.624 0 40 DFAB CC(C)n1cc(Nc2nc(-c3cccnc3)nc3c2CCC3)cn1 575810536 CAKDGTVGZCQQTQ-UHFFFAOYSA-N 320.400 3.548 0 40 DFAB C[C@H](C(=O)N[C@H](Cn1cncn1)c1ccccc1)c1ccccc1 195567373 YOMNFPCRHVCXCG-MAUKXSAKSA-N 320.396 2.939 0 40 DFAB c1cc(CN2CC[C@H]3[C@@H]2CCN3CC2CCOCC2)cs1 96184427 DHUZUPDLTNVSTQ-IRXDYDNUSA-N 306.475 2.823 0 40 DFAB O=C(OC[C@H]1CC=CCC1)[C@@H]1CCCN1C(=O)c1ccccn1 96441918 ISEPZYDJQGDVPB-HOCLYGCPSA-N 314.385 2.586 0 40 DFAB c1cncc(OC[C@@H]2CC3(CCN(CC4CC4)CC3)CO2)c1 96106112 PJUXQYSOHSGYCD-KRWDZBQOSA-N 302.418 2.742 0 40 DFAB COC(=O)c1cc(C(=O)OC)c2cccc(Br)c2n1 140849559 HBXYHFJGEYFZJI-UHFFFAOYSA-N 324.130 2.571 0 40 DFAB CC[C@@](C)(NC(=O)c1ccnc(N(C)C)c1)c1nccs1 96416678 HWDDBDXAJYKRIK-OAHLLOKOSA-N 304.419 2.659 0 40 DFAB CC(C)COC[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 96060230 GAXZSKJWJQRKRU-HNNXBMFYSA-N 303.406 2.785 0 40 DFAB O=C(NCc1cccs1)Nc1cnn(C2CCOCC2)c1 96104618 JHWBWYSNOKDZLG-UHFFFAOYSA-N 306.391 2.618 0 40 DFAB CCn1cc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)cn1 96403572 UZIPIEQNADQXJJ-UHFFFAOYSA-N 322.409 2.679 0 40 DFAB O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccccc1 96112439 QGPGAQNOYOXEAS-AWEZNQCLSA-N 307.353 2.538 0 40 DFAB biogenic,in-vitro Cc1cccc(CN2CCc3ncnc(NC4CCC4)c3CC2)n1 96255759 AXEHMFGEUDHADJ-UHFFFAOYSA-N 323.444 2.745 0 40 DFAB CCN(CC(=O)N(C)C)Cc1csc(-c2cccs2)n1 51790807 IOGPGBYCSMMHNB-UHFFFAOYSA-N 309.460 2.782 0 40 DFAB Cc1ccnc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)n1 257338620 YYEKYBFTMHUHJI-CQSZACIVSA-N 307.401 2.661 0 40 DFAB COc1cc(CN2CC[C@H](c3nc(C)cn3C)C2)ccc1F 257260426 LCTZCKZUGKWMQU-AWEZNQCLSA-N 303.381 2.866 0 40 DFAB CN(C)CC(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257212437 CDKNGICBDXMBHC-GUTXKFCHSA-N 322.836 2.517 0 40 DFAB Fc1ccc(OCCN2CCC[C@@H](c3cnccn3)C2)cc1 257299667 RRABZKMRGWKEAX-CQSZACIVSA-N 301.365 2.874 0 40 DFAB Cc1cn[nH]c1[C@H]1COCCN1Cc1ccc2ncccc2c1 257242179 IBKLKAVIHLROPD-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB O=S(=O)(N[C@@H]1CCO[C@@H](c2cccnc2)C1)C1CCCCC1 296278464 YRHMLPXJFPWFEV-GDBMZVCRSA-N 324.446 2.554 0 40 DFAB CCCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 575406656 ZPCWZIVTHOBGAZ-KRWDZBQOSA-N 313.401 2.611 0 40 DFAB CN1C(=O)CC[C@@]12CCCN(c1ncnc3ccsc13)CC2 585099967 BLNWADOSXSPCPW-MRXNPFEDSA-N 316.430 2.673 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)c2oc(C)nc2C)c2ccccc21 89226966 RLGUKHOXNQBAND-CYBMUJFWSA-N 314.341 2.599 0 40 DFAB CN1CCN(Cc2cccc(C(=O)Nc3ccsc3)c2)CC1 73771166 KGVNHBVTUZGKTI-UHFFFAOYSA-N 315.442 2.748 0 40 DFAB C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccncc1)n1cccn1 74123419 OEUZUKMGCJEABW-WMLDXEAASA-N 306.369 2.745 0 40 DFAB C[C@@H](O)c1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 58407672 XHIHNRAFXLYIOH-NOZJJQNGSA-N 302.201 2.940 0 40 DFAB CC(C)(C)n1cnnc1SCCCNC(=O)C1CCCC1 88500162 YDSYRWLCSCOLCE-UHFFFAOYSA-N 310.467 2.822 0 40 DFAB C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1ccccc1 40497381 OGANOSHPUFSDMM-SNVBAGLBSA-N 317.776 2.878 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccn3)CC2=O)cc1C 806805 OOKQNNKHNFTTQF-CQSZACIVSA-N 309.369 2.690 0 40 DFAB COc1cccc(C2(NC(=O)CCn3cccn3)CCCC2)c1 12143113 DYWNBJQFEXCEAJ-UHFFFAOYSA-N 313.401 2.868 0 40 DFAB NC(=O)[C@H]1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1 12255045 MGOBOEIMDOXYRQ-LBPRGKRZSA-N 324.384 2.520 0 40 DFAB COC(=O)c1c(NC(=S)N2CCCC2)sc2c1CCC2 13825792 WQECJVUQKNLINL-UHFFFAOYSA-N 310.444 2.816 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15826697 YNPHRPJRWQLACS-LLVKDONJSA-N 315.760 2.727 0 40 DFAB O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)[nH]c1=O 19937219 OJNGWLJBVDUQSL-UHFFFAOYSA-N 309.300 2.828 0 40 DFAB CCn1cc(OCC(=O)Nc2ccccc2OC(F)F)cn1 193559227 RHHMFZYQMTWZJA-UHFFFAOYSA-N 311.288 2.522 0 40 DFAB C[C@@](O)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)C1CC1 206711410 RPKPHXRWQKYERN-OAHLLOKOSA-N 315.335 2.915 0 40 DFAB CCOc1ccccc1OCCCC(=O)Nc1nncs1 11182864 DGXPLGYYPBGKSH-UHFFFAOYSA-N 307.375 2.735 0 40 DFAB CCCn1nnnc1NC(=O)C(c1ccccc1)c1ccccc1 569443 DORZHKQAWQWUFT-UHFFFAOYSA-N 321.384 2.854 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(Cc3coc(C)n3)C2)n1 1848726511 KMSYFKRFZJMYAJ-HNNXBMFYSA-N 301.390 2.977 0 40 DFAB CC(C)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985266 DEHFVIORHVHHHS-GOSISDBHSA-N 302.418 2.683 0 40 DFAB CCCc1cc(=O)[nH]c2nnc(SCc3ccc(F)cc3)n12 4250338 SKLDSVVHKVJFBT-UHFFFAOYSA-N 318.377 2.802 0 40 DFAB CC(C)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4697005 RQALHBHAZNIXQL-GHRIWEEISA-N 308.381 2.982 0 40 DFAB c1nnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)s1 1775966352 ZRUFRRMZWLFZRS-UHFFFAOYSA-N 317.418 2.501 0 40 DFAB Cc1nnsc1C(=O)NCc1cncc(-c2ccsc2)c1 206942430 FBHXQDUQYZFPLP-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB O=C(/C=C/c1ccco1)N[C@@H](c1cccnc1)C1CCOCC1 225616883 FDKUQZCJEBVAIF-DUMMIQTOSA-N 312.369 2.972 0 40 DFAB COC(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43989676 BRWVACWRPIHMPP-UHFFFAOYSA-N 316.357 2.641 0 40 DFAB C[C@H](C(=O)O)[C@H](NC(=O)c1cccc2cn[nH]c12)c1ccccc1 97228710 ONGZEUGFRJHMQU-NHYWBVRUSA-N 323.352 2.755 0 40 DFAB CC(C)(C)c1csc(NC(=O)CNC(=O)c2cccs2)n1 40461929 NZUKFRVPZQRGCI-UHFFFAOYSA-N 323.443 2.871 0 40 DFAB O=C1OCCN1c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 40556047 PIZDAXYCXABQQI-UHFFFAOYSA-N 307.309 2.547 0 40 DFAB in-vitro Cc1c(F)cc(C(=O)NC2CC2)cc1I 52507836 DQRNFBLLBJOSQU-UHFFFAOYSA-N 319.117 2.631 0 40 DFAB Cc1ccc(C(=O)O)cc1NC(=O)Cc1cn2ccccc2n1 41284579 KZXBEDWNHVNJAO-UHFFFAOYSA-N 309.325 2.522 0 40 DFAB COc1ccccc1CC(=O)NC[C@@H]1OCCc2ccccc21 82485 BAZJMKNPKPMITL-SFHVURJKSA-N 311.381 2.668 0 40 DFAB CCc1cnccc1C(=O)OCc1ccnc(-n2ccnc2)c1 97113075 PJFGIWXUZYKBOG-UHFFFAOYSA-N 308.341 2.582 0 40 DFAB Cc1nc2c(c(SCC(=O)N3CCCCCC3)n1)CCC2 12016711 FCEUATKFGFWOLV-UHFFFAOYSA-N 305.447 2.768 0 40 DFAB Cc1nnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)s1 2780601 VFGPDZDVOPMHAD-ZCFIWIBFSA-N 319.312 2.570 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc43)C2)n[nH]1 76059829 PPGFKCLCXXKNGR-DZGCQCFKSA-N 311.385 2.600 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)/C=C/c2cccc(F)c2)o1 78964085 XHWKLQWCUJHGBR-UGAXZCSASA-N 303.333 2.764 0 40 DFAB COC(=O)[C@H](C)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 79066199 KJVUFZXLAZXUKS-SSDOTTSWSA-N 322.258 2.775 0 40 DFAB CCN(CC)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 41503466 CQWVWKQLUHKTHP-UHFFFAOYSA-N 321.380 2.868 0 40 DFAB CC(C)CC[C@](O)(C(=O)OCCN1CCCC1)c1ccccc1 4416221 YWXOVVJESJSUMQ-LJQANCHMSA-N 319.445 2.949 0 40 DFAB Fc1ccccc1CCNc1c2c(nc3ncnn13)CCCC2 4516980 OVMYZFQHYXIFAN-UHFFFAOYSA-N 311.364 2.797 0 40 DFAB CC[C@H](C(=O)c1ccccc1)[C@@H]1[C@H](C(=O)OC)C(=O)OC1(C)C 4694056 NFEGGKGCZVDQJD-BFHYXJOUSA-N 318.369 2.636 0 40 DFAB Clc1ccc([C@@H]2C=C(c3cccnc3)Nc3nnnn32)cc1 103419223 RGTZKVJTUMOTRQ-AWEZNQCLSA-N 310.748 2.778 0 40 DFAB COC(=O)C1CCN(C(=O)CSCc2ccccc2C)CC1 10541841 JPFDNADUIRIYHK-UHFFFAOYSA-N 321.442 2.640 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 807527 HBJFOXRDJFKIJZ-UHFFFAOYSA-N 313.309 2.519 0 40 DFAB Cc1cccc(CCC(=O)N2CCC(Nc3cccnn3)CC2)c1 69656603 XNIKIVROTVCKHF-UHFFFAOYSA-N 324.428 2.821 0 40 DFAB Cc1cnn(C[C@H](C)N[C@@H](C)c2nc(-c3ccccc3)no2)c1 69629768 LAVKAEQIRVMYFQ-KBPBESRZSA-N 311.389 2.981 0 40 DFAB Cc1noc(C)c1CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C 24377891 FFKUMBVYQLLEHV-NXEZZACHSA-N 305.378 2.538 0 40 DFAB COc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1OC 1283332 IHJIKPXBSRPWCL-UHFFFAOYSA-N 307.375 2.931 0 40 DFAB CN1CCOc2ccc(NC(=O)c3ccccc3F)cc2C1=O 9828054 OGOAKOOYGPGYGY-UHFFFAOYSA-N 314.316 2.542 0 40 DFAB COc1cccc(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1 107352422 BNADPNFGQBAARF-XOYOTBSWSA-N 315.413 2.796 0 40 DFAB COC(=O)CCCCCNC(=O)c1c(F)cccc1Cl 35250700 GFNDOMYWECBIQC-UHFFFAOYSA-N 301.745 2.942 0 40 DFAB COc1cc(CNC(=O)C2(c3ccc(F)cc3)CC2)ccn1 44372153 ZCKPNKAXPMJFQT-UHFFFAOYSA-N 300.333 2.577 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)c3ncccn3)C2)n1 72300307 OQYBRZDTPXSMJC-LLVKDONJSA-N 302.403 2.515 0 40 DFAB Oc1ccccc1N1CCN(Cc2noc3c2CCCC3)CC1 108850311 ROPZIVGSWYKNGF-UHFFFAOYSA-N 313.401 2.581 0 40 DFAB Cc1cccc2sc(NC(=O)Cn3nnc4ccccc43)nc12 28304498 BETOTMNEYRZHHO-UHFFFAOYSA-N 323.381 2.988 0 40 DFAB CCOc1ccc(OCCNC(=O)c2cc(Cl)c[nH]2)cc1 27381760 JFOGKLQVRBBRLH-UHFFFAOYSA-N 308.765 2.876 0 40 DFAB Cc1nn2c(O)cc(-c3cnn(C)c3)nc2c1-c1ccccc1 100776429 BYUMAGDBAZGVJM-UHFFFAOYSA-N 305.341 2.811 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 3388036 URJACQBACIWBEF-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CCN1CCC(NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 24747017 WRSGHGMOIYANRC-UHFFFAOYSA-N 315.339 2.623 0 40 DFAB CCOc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 58326064 KWYLHJSQWDNFQC-INIZCTEOSA-N 302.418 2.786 0 40 DFAB CC(C)C(=O)Nc1ccc(CNc2ncnc3c2cnn3C)cc1 12792376 VEEYMNDFCYRJGL-UHFFFAOYSA-N 324.388 2.570 0 40 DFAB COC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccco2)nc1C 58356950 DIHCJFHKUIUHSD-IUCAKERBSA-N 306.343 2.573 0 40 DFAB CCCC[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)O 2332636 AQDOJCJKQPMHOY-NSHDSACASA-N 307.346 2.995 0 40 DFAB CC1CCC(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 11240097 MYFXETGILIJTRD-OVGLSYRBSA-N 304.365 2.946 0 40 DFAB CCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 62639954 ARCMIBTZGMRABW-LBPRGKRZSA-N 316.405 2.928 0 40 DFAB CC(C)(C)c1ccc(OCCSc2nc(N)nc(N)n2)cc1 8756877 JNMRWPSYHBQBKN-UHFFFAOYSA-N 319.434 2.505 0 40 DFAB CC(C)C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)O 5164219 XABKOSMTBSGAHZ-CABCVRRESA-N 304.390 2.863 0 40 DFAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)ccc1OC 13947231 JRGPYZYWEFHFLZ-GFCCVEGCSA-N 313.419 2.657 0 40 DFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCCCC(C)C 65536292 KQMCJMAIOYOSBQ-UHFFFAOYSA-N 318.421 2.537 0 40 DFAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H](n2cccn2)C1 65625361 ABUJDCIALPGOFS-MRXNPFEDSA-N 321.384 2.546 0 40 DFAB CN(C)C(=O)[C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 5505376 NWIOREASQGEJJD-MRXNPFEDSA-N 323.352 2.945 0 40 DFAB CCc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 7344531 XEACPFYCXAPQHQ-CQSZACIVSA-N 312.369 2.829 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)cc1 7428100 MLJQVVMVGANURN-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB C[C@@H]1CN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 16332833 KVFJQGUOLLWFDD-MAKWCBCHSA-N 320.477 2.569 0 40 DFAB CCCOc1ccc(CN2CCCC3(C2)OCCO3)cc1OC 96003621 FNJNCKCYSUMLLA-UHFFFAOYSA-N 321.417 2.823 0 40 DFAB CCn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1ccccc1 8392615 REYBGBYLZLRUSZ-CMPLNLGQSA-N 303.387 2.761 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1 69435131 ZXLJTCWCZHXHBR-UHFFFAOYSA-N 321.336 2.703 0 40 DFAB COc1ccccc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 82087140 LJQXZRMULZUAFB-LBPRGKRZSA-N 310.353 2.930 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cscn1)c1ccc(Cl)s1 97231251 JTPOOIURWMPQKQ-ZCFIWIBFSA-N 316.791 2.804 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H](C)c2ccccn2)C1(C)C 96415597 CVXMJKIOUTYHCH-AEGPPILISA-N 305.422 2.988 0 40 DFAB NC(=O)c1cnc(NCc2cccc3cccnc23)c(Cl)c1 71842018 YZUFWGLAPMPBGV-UHFFFAOYSA-N 312.760 2.994 0 40 DFAB CCCCN(CC(N)=O)Cc1csc(-c2ccsc2)n1 71810957 ZYHMWEQKUWVNDT-UHFFFAOYSA-N 309.460 2.959 0 40 DFAB C[C@H](NC(=O)N1Cc2ccccc2C1)C(=O)N1CCCC[C@@H]1C 71879868 WYZGMWCICZEIGM-KBPBESRZSA-N 315.417 2.501 0 40 DFAB CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cnccc2C)cc1 71857617 GJXXSBCESAKTHT-ZDUSSCGKSA-N 311.385 2.768 0 40 DFAB O=C(CCCc1ccccn1)N1CCOc2ccc(F)cc21 84609919 WEWICOPRZSURBK-UHFFFAOYSA-N 300.333 2.969 0 40 DFAB CCCNc1ccc(Cl)cc1NC(=O)[C@H](C)n1cncn1 97048419 ZPZGPVQOWRGMGV-JTQLQIEISA-N 307.785 2.953 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@@H](CO)c2ccco2)CC1 97084544 BCNCQCRHCPSFNB-KBPBESRZSA-N 324.421 2.692 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 97086348 QDAIWEIMPRTYFG-SMDDNHRTSA-N 308.809 2.767 0 40 DFAB COc1cccc(CN(C)C(=O)Cc2c(C)noc2Cl)c1 72280584 ONZUYFXRWBHZLF-UHFFFAOYSA-N 308.765 2.846 0 40 DFAB COCc1c(C(=O)N(C)[C@H](C)C(=O)O)sc2ccccc12 95424687 BPHTXCIOBOZOQY-SECBINFHSA-N 307.371 2.593 0 40 DFAB CCOC(=O)N[C@@H](CN[C@@H]1CCCc2nc(C)sc21)C1CC1 95422521 YBCLGARFXCDNTO-OCCSQVGLSA-N 323.462 2.943 0 40 DFAB CCOc1ccccc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 84810983 BSQWRCLTAZOFGU-TZMCWYRMSA-N 303.358 2.920 0 40 DFAB COCC[C@H](C)NC(=O)N1CCC(Nc2ccccc2F)CC1 73978737 ROBMJKSYKDNVHY-ZDUSSCGKSA-N 323.412 2.837 0 40 DFAB CCc1cccc2c(CC(=O)N(CC)C[C@H](C)C(=O)O)c[nH]c12 95970630 IPXUPVXDHQHUGJ-LBPRGKRZSA-N 316.401 2.842 0 40 DFAB COC(=O)c1oc([C@H](C)N2CCC(n3ccnc3)CC2)cc1C 89606820 MZYMGNYCVDXWES-ZDUSSCGKSA-N 317.389 2.969 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)NCc2scnc2C)o1 89652792 IZWWLTLKCIDWAP-LBPRGKRZSA-N 321.402 2.636 0 40 DFAB Cc1cc(CNC(=O)c2c[nH]nc2-c2c(F)cccc2F)no1 89604922 CVRJGTPOSHIAOW-UHFFFAOYSA-N 318.283 2.581 0 40 DFAB CCn1cc(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)cn1 89743014 CFDUQVDRNMCGTO-UHFFFAOYSA-N 317.418 2.501 0 40 DFAB O=C(NCCCn1ccnc1)N1CC[C@@H](c2ccc(F)cc2)C1 89783360 JAMAFRLETBDWCO-OAHLLOKOSA-N 316.380 2.611 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)Cc2ccccc2)c(C)c1 25767110 VQGIOCTUQQAHEO-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 128633433 UNTOURATTFKKJG-AWEZNQCLSA-N 311.328 2.753 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)nn2)c1 75172638 KKPYOPORVDBUTK-UHFFFAOYSA-N 324.384 2.922 0 40 DFAB CO[C@H]1CN(C(=O)c2cccc(-c3ccccc3C)c2)CC[C@H]1N 71749846 WWTNHWMKWWBHDF-MOPGFXCFSA-N 324.424 2.850 0 40 DFAB CC(C)C(NC(=O)c1cccc(CN2CCOCC2)c1)C(C)C 38753122 FLZZROXASFBDQQ-UHFFFAOYSA-N 318.461 2.929 0 40 DFAB CC(C)(C)OC(=O)[C@@H](c1ccc(Cl)cc1)[C@H](N)CC(=O)O 54965044 ZZVAXVAHAHQJFS-YPMHNXCESA-N 313.781 2.567 0 40 DFAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)s1 72227350 QFRJJWMKCNYILH-NWDGAFQWSA-N 323.215 2.926 0 40 DFAB COc1ccccc1-n1ccnc(NCCc2ccccc2)c1=O 10273166 ZLAQOKNTIDBFGA-UHFFFAOYSA-N 321.380 2.896 0 40 DFAB Cc1ccsc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 78997925 TXOKWDCVYZOLSA-LBPRGKRZSA-N 318.373 2.731 0 40 DFAB CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccco1 72324345 RNDVVTBMEUSCPP-LBPRGKRZSA-N 314.341 2.642 0 40 DFAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCSCC1 40122307 VULSPNPFGHKILW-UHFFFAOYSA-N 307.806 2.919 0 40 DFAB CC1CCN(c2ncc3c(n2)CN(C2CCCC2)C3=O)CC1 46088815 IGVBKDOICOZZLR-UHFFFAOYSA-N 300.406 2.611 0 40 DFAB CN(C)C(=O)c1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225324877 MTRVLIPQGIWVEE-KYOSRNDESA-N 317.458 2.863 0 40 DFAB O=C(NCc1cccnc1)c1ccc2c(c1)OCC1(CC1)CO2 225363898 BJIRBWSBWMDUMV-UHFFFAOYSA-N 310.353 2.563 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)Cc2ccsc2)C(=O)O)c1 225484229 UHAFEBAXDTXOFY-OAHLLOKOSA-N 317.410 2.659 0 40 DFAB Cn1cc(-c2ncc(C(=O)NC3(C4CCC4)CCC3)s2)cn1 570494603 IUGYDNZXKQLYJS-UHFFFAOYSA-N 316.430 2.996 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@H]1C[C@@H]2C=C[C@@H]1C2 195530068 YGAUOQWWEWHPFY-BNOWGMLFSA-N 321.384 2.690 0 40 DFAB Cc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@@H]2C)cc1 225328152 RFINGJBQAIUXSE-LBPRGKRZSA-N 302.399 2.717 0 40 DFAB Cn1cncc1-c1nnc([C@H]2CCN(CC3CCCCC3)C2)o1 49170450 NQYBLSMJHLCTDP-AWEZNQCLSA-N 315.421 2.840 0 40 DFAB biogenic,in-vitro Cc1nn(C)c(C)c1CNC[C@H](O)c1ccc(Cl)c(F)c1 96485927 UJAWYZXALQJNTF-HNNXBMFYSA-N 311.788 2.653 0 40 DFAB COC[C@H]1CCCN(C(=O)c2cnc(O)c3ccccc23)CC1 582047157 STTUKTAJZJRFFG-ZDUSSCGKSA-N 314.385 2.829 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437560 JVPLDKVTICOKQD-IAGOWNOFSA-N 319.449 2.505 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C)n3)CC(=O)N2C)cc1 96181314 VILOWTRXJINXJG-QAPCUYQASA-N 323.396 2.857 0 40 DFAB CC[C@@H](Sc1cc(Br)ccc1OC)C(N)=O 96422260 UDHDCADKTCCJQF-SECBINFHSA-N 304.209 2.814 0 40 DFAB CC(C)NC(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96074064 SOZKAWAZJPDRIR-INIZCTEOSA-N 321.446 2.685 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1)C2 96039362 VPIFUGJANIEFKU-MJGOQNOKSA-N 317.429 2.663 0 40 DFAB Brc1cnc2cc(I)[nH]c2c1 95920134 FRPUTQZHZTZXLF-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB O=C(CO)Nc1cccc(N[C@@H]2CCc3ccc(F)cc32)c1 96449375 GYZVVBNQVZTVHU-MRXNPFEDSA-N 300.333 2.856 0 40 DFAB CO[C@@H]1CSC2(C1)CN(Cc1ccc3ccccc3n1)C2 247977369 WOWXJCOQVPHKLZ-HNNXBMFYSA-N 300.427 2.941 0 40 DFAB CCO[C@H]1CCOC2(C1)CN(C(=O)c1cc3ccccc3o1)C2 248379312 MLUVVNRSCMFTDH-AWEZNQCLSA-N 315.369 2.843 0 40 DFAB CN1C(=O)CCC[C@H]2CN(C(=O)CCc3cccs3)CC[C@H]21 257332315 XWSNFSQLCBQBPF-DZGCQCFKSA-N 320.458 2.540 0 40 DFAB CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCNCC2 276716338 XGTLHVUHOGOPQQ-IRXDYDNUSA-N 318.486 2.779 0 40 DFAB Fc1ccc(CN2CCN(c3cnccn3)CC2)c(Cl)c1 42632779 GYQDCWDCWNBRKL-UHFFFAOYSA-N 306.772 2.591 0 40 DFAB CC(C)CN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 575421395 QBLVUNNJVHCWJX-CQSZACIVSA-N 315.866 2.985 0 40 DFAB CC[C@@H](C)N1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103549 DIMFENARPZFDBJ-RDTXWAMCSA-N 320.408 2.680 0 40 DFAB Nc1c(Br)c(Br)cc2nsnc12 64871470 DIYHNWMLMRINFO-UHFFFAOYSA-N 308.986 2.799 0 40 DFAB c1ccc(OCCSCc2nnnn2-c2ccccc2)cc1 65603609 XACNPLJELZIKQW-UHFFFAOYSA-N 312.398 2.975 0 40 DFAB CC1CCC(N(Cc2nc(O)c3cnn(C)c3n2)C2CC2)CC1 52829509 HHDGSWMPQQLULP-UHFFFAOYSA-N 315.421 2.612 0 40 DFAB CC(C)COc1cccc(CNC(=O)NC2CCC(O)CC2)c1 56528725 HHIAWAXWQVVPJS-UHFFFAOYSA-N 320.433 2.824 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(C)on2)cc1 74517479 ZCNOOUYYHYFXNE-GDBMZVCRSA-N 300.358 2.942 0 40 DFAB Cc1noc(CN(CCCO)[C@@H]2CCCc3ccccc32)n1 81535191 BNRPJOIBKKXPOY-MRXNPFEDSA-N 301.390 2.640 0 40 DFAB CCOc1ccc(CCNC(=O)c2cc(C)on2)cc1OCC 12814765 RMYAOQBHEHXKHK-UHFFFAOYSA-N 318.373 2.753 0 40 DFAB O=C(O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293676 WWGMHVFLVIKFKQ-CYBMUJFWSA-N 307.321 2.590 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@H]2O 123370957 CEMLAYQDMWFPDU-JAGAVXHVSA-N 306.446 2.930 0 40 DFAB in-vitro Cc1cnccc1OCC1CCN(c2ncncc2F)CC1 1889090983 QLQFUBIQXHUGHS-UHFFFAOYSA-N 302.353 2.615 0 40 DFAB COC(=O)c1ccc(C(F)(F)Br)nc1Cl 1848350474 JCVSHBJCYOCMFN-UHFFFAOYSA-N 300.486 2.966 0 40 DFAB COc1ccc(C)cc1NC(=O)c1n[nH]cc1Br 28237425 MUZIKNAYNJGNSQ-UHFFFAOYSA-N 310.151 2.742 0 40 DFAB Cc1cc(CN2CCC(COc3ncnc(C)c3C)CC2)no1 1565520724 JMNNPYCBJRXDNI-UHFFFAOYSA-N 316.405 2.681 0 40 DFAB Cc1noc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1775973976 UTRCBTQVRFMCBJ-UHFFFAOYSA-N 309.373 2.662 0 40 DFAB CC(C)c1nccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 106463568 GWKKILWRVHBCPW-UHFFFAOYSA-N 306.410 2.657 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](O)c2ccccc2F)c1 40086415 CZVZEKOTLKMOBE-OAHLLOKOSA-N 304.321 2.689 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 40539215 LNLHUCMDOSEPKD-CYBMUJFWSA-N 310.781 2.691 0 40 DFAB C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(F)c(F)c1 101383648 SKIFWDAVKPDXLI-GXTWGEPZSA-N 321.371 2.682 0 40 DFAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1[C@H]2CCC[C@H]12 101975932 VDPSVWQLEWONJY-RYUDHWBXSA-N 323.339 2.814 0 40 DFAB Cc1c(/C=C/C(=O)Nc2cnn(Cc3ccccc3)c2)cnn1C 375864 VWEPFZHNEOFQPM-CMDGGOBGSA-N 321.384 2.625 0 40 DFAB CO[C@@H](CNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1 76067319 QSFQQTKXKJKOOI-AWEZNQCLSA-N 319.792 2.669 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 76043159 KFRDVEJGKSVFTI-NSHDSACASA-N 303.387 2.906 0 40 DFAB Cc1cccc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n1 97198066 CFGBXCFWLKKSOF-ZDUSSCGKSA-N 312.417 2.629 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)CCc1c(C)nc(SC)nc1C 78985580 LLYBQAPQQVYLBO-UONOGXRCSA-N 324.446 2.859 0 40 DFAB Cc1nc(N)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 533496 UAQVMVTZGVXAGN-UHFFFAOYSA-N 300.387 2.981 0 40 DFAB Cn1ncc2c1ncn1nc(-c3ccc(Cl)cc3Cl)nc21 527623 LGYLHDXBJZYLKH-UHFFFAOYSA-N 319.155 2.985 0 40 DFAB O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCCC3)cc2o1 2928413 PNUAUJOFFAJQAM-UHFFFAOYSA-N 324.402 2.512 0 40 DFAB Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(O)c1)C2=O 3882865 AMXKRNUGTBUCAP-UHFFFAOYSA-N 304.305 2.928 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 12125011 YWXRGIBODADKEV-LBPRGKRZSA-N 310.353 2.991 0 40 DFAB CCCNC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 6629616 LDFOVBRMDGHPRS-UHFFFAOYSA-N 318.446 2.811 0 40 DFAB O=C(CCCn1sc2ccccc2c1=O)NCc1ccco1 6800151 AMYPPCGGESRRAZ-UHFFFAOYSA-N 316.382 2.753 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)nc1 53674571 WFRLNWAHIXSIAY-VIFPVBQESA-N 302.355 2.601 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1csc(C)n1)N2 42186037 RCHGUHRKIFUNOJ-AWEZNQCLSA-N 319.386 2.665 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)OCC(C)C)c1 42472363 KNYURKPEQPDUBG-CHWSQXEVSA-N 309.406 2.942 0 40 DFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H]1CCCO1 54455853 CZTSGRGCVIIVKW-NSHDSACASA-N 324.446 2.950 0 40 DFAB Cc1cc2[nH]ncc2cc1NC(=S)NC(=O)c1ccccc1 1395989 NQUPWVVQWWUDDA-UHFFFAOYSA-N 310.382 2.998 0 40 DFAB Cc1nnsc1S(=O)(=O)Cc1ccccc1C(F)(F)F 1400047 HUVRRYBCQSPQNV-UHFFFAOYSA-N 322.333 2.839 0 40 DFAB O=C(NCc1cn2ccccc2n1)c1cc(F)c(F)c(F)c1F 12562241 KBZSWXDESQRFCH-UHFFFAOYSA-N 323.249 2.821 0 40 DFAB CC(C)(CNC(=O)c1ccc2ccccc2c1)N1CCOCC1 25666233 BDTUHAUCFMEICJ-UHFFFAOYSA-N 312.413 2.680 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(F)cc1 12548393 PAMDWDIMUAXOGS-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CN(CC(=O)N(C)C)Cc1ncc(-c2cccc(Cl)c2)o1 58023362 WITYZRXJUZNZDJ-UHFFFAOYSA-N 307.781 2.515 0 40 DFAB CN(C)C1CCN(c2cc(Br)ccc2C=O)CC1 36192472 VJXSWLWYFUCRDW-UHFFFAOYSA-N 311.223 2.792 0 40 DFAB Cc1ccc(Cl)cc1-n1ncc2c(NC[C@@H](C)O)ncnc21 21661438 YAZPPYOMZLXOGZ-SNVBAGLBSA-N 317.780 2.570 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1Cl 170337987 IOCRSFVMBYKDDW-SMDDNHRTSA-N 308.809 2.651 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2[nH]c1=O 11379324 KANJYZJPLVCUMR-UHFFFAOYSA-N 318.376 2.990 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccoc1 45784179 MVKJLVMULGXQFJ-KRWDZBQOSA-N 310.353 2.860 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1F)c1nnc2n1CCCCC2 29252961 UBESYIWAYXHBDJ-JTQLQIEISA-N 320.343 2.774 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCCCN1CCC(C)CC1 48324812 OBOQPVRZCIQLSX-UHFFFAOYSA-N 307.438 2.958 0 40 DFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1O 3521335 RGAZNLCOLGBTMM-ZDUSSCGKSA-N 313.353 2.909 0 40 DFAB O=C(Cc1coc2ccc3ccccc3c12)N[C@H]1CCCNC1=O 64092195 OMZAOFGTTUTUAC-HNNXBMFYSA-N 322.364 2.523 0 40 DFAB Cn1cccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5204902 DFJGRYSPEFCZSZ-UHFFFAOYSA-N 301.386 2.967 0 40 DFAB Cc1nc(-c2ccccc2)sc1CSc1n[nH]c(=O)n1C 65567985 RTSLBJLTMIVDOD-UHFFFAOYSA-N 318.427 2.833 0 40 DFAB Cc1ccc2oc(C(=O)NCCc3nnc4n3CCCC4)cc2c1 96012140 SFPKTLBDSHQBJS-UHFFFAOYSA-N 324.384 2.642 0 40 DFAB CC(C)(C)c1nccc(CCCNC(=O)c2ccccc2O)n1 96009791 DVUWHUSEOHWZSU-UHFFFAOYSA-N 313.401 2.842 0 40 DFAB CNC(=O)[C@@H](NC(=O)c1ccc(C)s1)c1ccc(F)c(F)c1 71417433 CZLJNZGJBKOHQW-ZDUSSCGKSA-N 324.352 2.552 0 40 DFAB O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2)n1 6881082 KAFAJRVZLQHOIU-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CC(C)(C)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346666 BEQQYCOTFKCXON-UHFFFAOYSA-N 319.430 2.521 0 40 DFAB Cc1nc(CNC(=O)NC[C@@H]2CCO[C@H]2C(C)C)sc1C 96455159 CRMJYUVBORXWIX-JSGCOSHPSA-N 311.451 2.620 0 40 DFAB COC[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 16641124 FSEBXKRTVCWSKR-NSHDSACASA-N 308.378 2.798 0 40 DFAB CCn1cnnc1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69368883 FCEJXYUFXRBPOA-KRWDZBQOSA-N 324.428 2.734 0 40 DFAB COc1ccc(C2(C(=O)NCc3cc[nH]n3)CCCCC2)cc1 71839323 KMFHEHPARLMXBR-UHFFFAOYSA-N 313.401 2.937 0 40 DFAB COc1ccc(Cl)cc1-c1cc(NC(=O)[C@H]2CCCO2)[nH]n1 69416474 CFEJXDZEFVBFHU-CYBMUJFWSA-N 321.764 2.856 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-n2cccn2)c1 71853955 JZKGTNUYZFYJQI-MRXNPFEDSA-N 314.389 2.905 0 40 DFAB C[C@@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)C[C@@H](C)O1 21012830 NWNZLOQCRSEDSQ-GYSYKLTISA-N 302.340 2.814 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)c1 71865829 XPSMETNGVYMXFU-AWEZNQCLSA-N 314.389 2.752 0 40 DFAB O=C(C1CCC1)N1CCN(c2snc3ccccc23)CC1 69771015 JCMCGDAPHDOETO-UHFFFAOYSA-N 301.415 2.745 0 40 DFAB CC[C@H](C)CS(=O)(=O)N(Cc1ccccn1)c1ccncc1 92253256 DBEUUMMOEKWQOS-AWEZNQCLSA-N 319.430 2.859 0 40 DFAB COC1(CNC(=O)Nc2ccccc2-n2ccc(C)n2)CCC1 97056822 SXKBESLYMPMSLI-UHFFFAOYSA-N 314.389 2.871 0 40 DFAB COc1cccc(CN(C)C(=O)C[C@@](C)(O)c2ccccc2)c1 97058502 NTFZVWFWICLOCI-LJQANCHMSA-N 313.397 2.951 0 40 DFAB CCc1ncc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)s1 95960561 NMMGDRKHJAVZJM-LLVKDONJSA-N 322.361 2.790 0 40 DFAB CCc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)o1 95956996 WDETYIUOKHNWSV-CYBMUJFWSA-N 305.305 2.927 0 40 DFAB CC[C@](C)(NC(=O)/C=C/c1cnc(C(C)(C)C)s1)C(=O)O 95969994 HIAQYIPJTXEIJJ-KIUWMYQTSA-N 310.419 2.823 0 40 DFAB Cc1cc(C)c(Br)c(C(=O)OCc2n[nH]c(C)n2)c1 95943925 SCWJPCOCXKNPKM-UHFFFAOYSA-N 324.178 2.849 0 40 DFAB c1cnnc(N2CCC[C@H]2CNc2ncnc3ccccc23)c1 75128535 ACQMIVYYJXHXSB-ZDUSSCGKSA-N 306.373 2.501 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)N1CCOC[C@H]1C1CC1 89686266 COWXQDGDKUDUAP-LBPRGKRZSA-N 307.419 2.665 0 40 DFAB O=C1CCc2cc(C(=O)Nc3nnc(C4CC4)s3)ccc2N1 21293089 ULDJQDIQEKADFD-UHFFFAOYSA-N 314.370 2.553 0 40 DFAB CCc1cc2c(N3CCN(C4CCC4)CC3)ncnc2s1 354635890 RCHASEXZTLKBIX-UHFFFAOYSA-N 302.447 2.928 0 40 DFAB O=C(c1cccs1)c1nn2c(nc(=O)c3ccccc32)s1 3848835 ZXIASLFPTHAYEO-UHFFFAOYSA-N 313.363 2.597 0 40 DFAB biogenic Cc1cc(CCNC(=O)c2ccc(OC(F)(F)F)cc2)on1 77122932 MGOSAJOJTXTJFM-UHFFFAOYSA-N 314.263 2.854 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216350003 COPNRBGCMYZHMV-USJZOSNVSA-N 310.482 2.804 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2cc(NC3CCCC3)ncn2)C1 72364689 FFPCYWQHJPZXQF-AWEZNQCLSA-N 302.422 2.632 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@](C)(CC)OCC)c(C)n1 225893137 GAWHJHHLBOYSTD-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB CC(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)s1 225670740 LBMBQGFKDYATMN-UHFFFAOYSA-N 317.366 2.652 0 40 DFAB CCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCCC1 225828402 VKQDOJQWJUEOIY-UHFFFAOYSA-N 321.373 2.770 0 40 DFAB CCC[C@H](C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224379894 CZUMFJBIMCBPID-ZDUSSCGKSA-N 324.446 2.535 0 40 DFAB O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)C1=COCC1 96441874 ZTPGWLBECWGXOD-AWEZNQCLSA-N 319.748 2.520 0 40 DFAB COc1ccc(CCC(=O)N[C@@H]2CCOC(C)(C)C2)cc1OC 96114265 WZAPMUURAPGDBG-CQSZACIVSA-N 321.417 2.710 0 40 DFAB biogenic O[C@H](CN[C@H]1CC2(CCC2)Oc2ccccc21)COCC1CC1 95421435 CXHSTUPKPAAPRQ-WBVHZDCISA-N 317.429 2.810 0 40 DFAB C[C@@H](NCCCO[C@@H]1CCOC1)c1cc(F)c(F)c(F)c1 96479309 IKENFGXWHJDCTO-ZYHUDNBSSA-N 303.324 2.950 0 40 DFAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2ccnn2)C3)cc1F 618255396 OSHWLSMRHDXHJV-KBPBESRZSA-N 314.364 2.734 0 40 DFAB CC(C)n1ncc2cc(CSCc3nncn3C)cnc21 582775652 QYQKHNJHASMVTF-UHFFFAOYSA-N 302.407 2.574 0 40 DFAB CC(C)[C@H]1N(C(=O)Nc2nccc(N(C)C)n2)CC12CCCC2 583483367 KNNGJAXRFVCFKE-CQSZACIVSA-N 317.437 2.975 0 40 DFAB Cc1cccc([C@H](C)CNC2CCN(C(=O)N(C)C)CC2)c1 96490770 NRPISSXFDXVUHM-OAHLLOKOSA-N 303.450 2.834 0 40 DFAB CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)c2ccsc2)C1 248021709 UYBIHISHRLZIGW-AWEZNQCLSA-N 318.446 2.530 0 40 DFAB Cc1cccc(N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)n1 257333046 XZVYOBIXWZFQLP-OWCLPIDISA-N 309.417 2.531 0 40 DFAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257206064 BBQKRQZIUIDBLP-CYBMUJFWSA-N 301.415 2.795 0 40 DFAB CCn1cncc1CN1[C@H]2CC[C@H]1c1cnc3cc(C)nn3c1C2 257207483 BHYWDGBZSGDDRN-BBRMVZONSA-N 322.416 2.516 0 40 DFAB Cc1csc([C@H](C)NC(=O)Cc2cccc(C(=O)O)c2)n1 262132784 HQYUTGOSMOLMSU-JTQLQIEISA-N 304.371 2.570 0 40 DFAB Cc1cnc(CNC(=O)[C@H]2C[C@@]23CCOc2ccccc23)s1 390833510 IOSCQFYIBZARFI-CXAGYDPISA-N 314.410 2.808 0 40 DFAB COC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC 65434162 CTOOOXZAUGUDLX-IUODEOHRSA-N 322.405 2.585 0 40 DFAB CN(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O 888088109 DMFRUGSTAWVFKF-UHFFFAOYSA-N 317.183 2.519 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(C2CCC2)CC1 820621459 JEDJQLUCOCYUEM-OAHLLOKOSA-N 302.418 2.541 0 40 DFAB COc1ccc(CCC(=O)N2CCCN(C3CCC3)CC2)cc1 179566124 MZYJAJLXYSUSRF-UHFFFAOYSA-N 316.445 2.715 0 40 DFAB COc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 5704773 QDSIXDXEVZRJSC-HNNXBMFYSA-N 314.385 2.855 0 40 DFAB CC(C)c1cc(C(=O)NC(C)(C)CN2CCCC[C@@H]2C)n(C)n1 12203207 AZKJIERVECKSEA-AWEZNQCLSA-N 320.481 2.926 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 13134535 DASWPRHZFIZMDP-HWWQOWPSSA-N 308.447 2.549 0 40 DFAB NCC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1 15442503 HZKOTNOIUIEDHM-UHFFFAOYSA-N 310.323 2.824 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3[C@@H]1CCOC(C)(C)C1)C2=O 19331466 JFOUVNIBWUJRPX-IHRRGDQRSA-N 320.477 2.524 0 40 DFAB biogenic COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 19736181 MMKMDKBPEJAMDB-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB Cc1cccc(C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12 5360777 ZCAQHPQSUWHQAU-UHFFFAOYSA-N 323.352 2.975 0 40 DFAB CN(c1nc2cc(Cl)ccc2o1)C1CN(c2cnccn2)C1 1889175187 REYOIGRDJFHYIZ-UHFFFAOYSA-N 315.764 2.596 0 40 DFAB Cc1ccc(C)c(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 3478913 JXZOTJNUKCLGKK-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB CCCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 3911862 PDKKTHPZIRTVIX-UHFFFAOYSA-N 300.402 2.994 0 40 DFAB CCc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)cn1 2055745648 QBKNCYHBDIPXCV-HYVNUMGLSA-N 300.402 2.674 0 40 DFAB Cc1ccccc1OCC(=O)N1CC(n2cnc3ccccc32)C1 1775974654 YTKSEYHYVBXMCW-UHFFFAOYSA-N 321.380 2.807 0 40 DFAB O=C(NCCCN1CCc2ccccc21)c1ccc2c(c1)OCO2 31254007 GLWJMTSNNSBVLQ-UHFFFAOYSA-N 324.380 2.598 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 40510161 QCTUJIAYLALWJE-BDAKNGLRSA-N 312.822 2.590 0 40 DFAB CC(C)c1csc(NC(=O)CCNC(=O)c2ccoc2)n1 40514032 WJNJNQBRTDPPMG-UHFFFAOYSA-N 307.375 2.618 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)NCC1(c2ccccc2)CC1 32882728 VHEAJXGGKZOTFG-UHFFFAOYSA-N 303.793 2.844 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N(C)Cc3ccsc3)cc12 32899751 VBQCGVRCYCKQGB-UHFFFAOYSA-N 300.387 2.610 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccn1 32841596 KABYKLZQNNCAIX-INIZCTEOSA-N 307.353 2.984 0 40 DFAB CN(C)c1cc(CNC(=O)c2cc3ccccc3cc2O)ccn1 32830822 JAWINASMGKPAQK-UHFFFAOYSA-N 321.380 2.936 0 40 DFAB O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 32915241 UVRCKWLBLOCLRV-ZDUSSCGKSA-N 319.744 2.532 0 40 DFAB O=C(Nc1cccnc1Cl)N[C@H]1CCC[C@@H]1n1ccnc1 76091857 STXYLRAOCLRHMW-JQWIXIFHSA-N 305.769 2.847 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2ccc(COC)o2)C12CCCC2 76068108 TUXHHHRGJNGCIT-LSDHHAIUSA-N 307.390 2.894 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CS2 33207116 ZJZAFYBCAJZKCF-JTQLQIEISA-N 316.382 2.685 0 40 DFAB CCCc1cc(NC(=O)c2ccnc(Br)c2)n[nH]1 79098969 IDWRXVVZSARYNC-UHFFFAOYSA-N 309.167 2.772 0 40 DFAB COCc1c(C(=O)NCCCN2CCCC2)oc2ccccc12 53287861 MMGVBTYQFGBRSI-UHFFFAOYSA-N 316.401 2.795 0 40 DFAB CC(C)NC(=O)CSc1nnc(NC2CCCCC2)s1 6078675 WEJFMMAYSNAVEV-UHFFFAOYSA-N 314.480 2.899 0 40 DFAB COc1ccc(C)cc1NC(=O)CCNC(=O)OC(C)(C)C 6501663 MSTXRBHEDOTLTH-UHFFFAOYSA-N 308.378 2.857 0 40 DFAB CCn1cc(NC(=O)CCSc2ccccc2)ccc1=O 47181643 YTRMLBNMNCKIJJ-UHFFFAOYSA-N 302.399 2.989 0 40 DFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cnccc2C)CC1=O 104452170 JUNYSDKALIOEJI-HNNXBMFYSA-N 323.396 2.944 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2ccccc2)c1 9064259 JWAQRPSTSRWAER-UHFFFAOYSA-N 302.355 2.528 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc(-n3ccnc3)nc2)cc1 24899272 IZMRPQDEIQXEAE-UHFFFAOYSA-N 322.368 2.847 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)oc1)[C@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102755405 JKUIUOHKHIBIIS-GRQVYGQYSA-N 301.386 2.830 0 40 DFAB COc1ccc2nc([C@@H]3C(=O)c4cccnc4C3=O)sc2c1 100480340 QZBNLMNINQKGPF-GFCCVEGCSA-N 310.334 2.863 0 40 DFAB CC(C)Oc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1 106987100 IGTIFZWSTOWXGX-UHFFFAOYSA-N 320.414 2.733 0 40 DFAB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@H](C)C(C)C 55849233 QOTZCQYKAVOMRQ-CYBMUJFWSA-N 317.433 2.916 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cc(Cl)ccn1)c1ccsc1 25332161 TWXAKIVGFVHNRQ-ZDUSSCGKSA-N 309.822 2.829 0 40 DFAB OC1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 43585636 BOMAJRHPVMEAET-MRXNPFEDSA-N 324.424 2.612 0 40 DFAB CC(C)CS(=O)(=O)CC(=O)N(C)c1cccc2ccccc12 56225941 RMRAZUZBGXWENF-UHFFFAOYSA-N 319.426 2.873 0 40 DFAB COCc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 25824051 VMMTWCDPJXPBLG-OAHLLOKOSA-N 310.353 2.898 0 40 DFAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCCC1 3271298 SAGMPILVCJKDMO-UHFFFAOYSA-N 319.376 2.803 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](N)[C@@H]2O 118918620 ZUUSQEHYADUJAR-RFZSVYIBSA-N 307.478 2.688 0 40 DFAB O=C(NCCCc1ccccc1)c1ccnc(-n2ccnc2)c1 58025373 GCWJGLCRRKZYEX-UHFFFAOYSA-N 306.369 2.630 0 40 DFAB Cc1noc(C)c1CNC(=O)C(=O)c1c(C)[nH]c2ccccc12 58160334 PQFTZLAJIOGZDY-UHFFFAOYSA-N 311.341 2.580 0 40 DFAB CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C1=O 12782046 DIIHVJVBTJGWHR-UHFFFAOYSA-N 314.728 2.818 0 40 DFAB c1cc(CN(Cc2nc(C3CC3)no2)C2CC2)c2c(c1)OCO2 48353624 DIMPPVLDQYOHDY-UHFFFAOYSA-N 313.357 2.840 0 40 DFAB CCOC[C@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 71905410 DAOSKGOFMABGLY-GJZGRUSLSA-N 324.490 2.544 0 40 DFAB Cc1nc(-c2cccnc2)nc(N2CCN(C(C)C)CC2)c1C 71913870 XFCFDKMAQQDXGV-UHFFFAOYSA-N 311.433 2.686 0 40 DFAB CCCn1nc(C(=O)N2CC[C@@H](C)CC[C@@H]2C(C)C)ccc1=O 71910115 HCTDNLAKDSPNCS-GOEBONIOSA-N 319.449 2.940 0 40 DFAB C[C@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)C[C@H](C)O1 8924736 OVXRTNREWNMZDO-QWRGUYRKSA-N 321.402 2.722 0 40 DFAB CCCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O 13381865 CQQVNEWOSMUDET-UHFFFAOYSA-N 313.467 2.642 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 13737175 MKLRNASUCHPLJG-GLQYFDAESA-N 305.374 2.763 0 40 DFAB CC1(C)NC(=O)N(CCSCc2ccccc2Cl)C1=O 65566481 XGQONISUWVIXHK-UHFFFAOYSA-N 312.822 2.904 0 40 DFAB CN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)c2ccccc12 65564667 XRQSRJKFRZRHRX-UHFFFAOYSA-N 302.374 2.592 0 40 DFAB O=C(NCCc1ccccc1F)c1cc(=O)c2ccccc2o1 14137329 QIOJNBFLKDATQY-UHFFFAOYSA-N 311.312 2.905 0 40 DFAB O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1 4628730 RSKBVVYDUMTJOH-UHFFFAOYSA-N 311.790 2.697 0 40 DFAB CC1([C@H]2CCCN(C(=O)NC[C@H]3CC=CCC3)C2)OCCO1 96010876 NDUONNXZSVTHNF-GJZGRUSLSA-N 308.422 2.527 0 40 DFAB Cc1cn2c(CN(C)C(=O)NCC(F)(F)F)c(C)nc2s1 96009547 JVOWZXGPLBWOGC-UHFFFAOYSA-N 320.340 2.716 0 40 DFAB COCCCN(CCOC)C(=O)Nc1ccnc(C)c1Cl 96012999 RTIASHHAAOFFOM-UHFFFAOYSA-N 315.801 2.560 0 40 DFAB Cc1ccccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 15414439 DABXGYJUXLQKKB-UHFFFAOYSA-N 312.413 2.874 0 40 DFAB Cc1cc(COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)no1 7549415 XVUOJKSXAPGBSA-NSHDSACASA-N 307.733 2.931 0 40 DFAB COCc1nc(C)cc(N2CC=C(c3ccc(O)cc3)CC2)n1 80675230 KNZLZRDVZRDMOE-UHFFFAOYSA-N 311.385 2.931 0 40 DFAB CCc1noc(CN2CC[C@@H](c3cc(OC)cc(OC)c3)C2)n1 83402972 QXYCRGCNJZVIPS-GFCCVEGCSA-N 317.389 2.639 0 40 DFAB CCc1nnc(NC(=O)c2ccc3c(c2)OCCCO3)s1 9477584 ADXJRVLLIAIJCH-UHFFFAOYSA-N 305.359 2.514 0 40 DFAB Cc1ccc(OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 16259733 RXRUWPZYRVDSBE-UHFFFAOYSA-N 308.337 2.619 0 40 DFAB CN(C)C[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)CCO1 70003995 HYRRFQBNDDKVCF-MRXNPFEDSA-N 319.836 2.651 0 40 DFAB CCOC(=O)[C@H]1CCCN(Cc2ccc(O)c3ncccc23)C1 19878910 RMAPNTUODKDTAT-AWEZNQCLSA-N 314.385 2.716 0 40 DFAB CCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 69659190 BSPRUDTXJXNKLA-UHFFFAOYSA-N 324.306 2.515 0 40 DFAB CCn1nc(C)c(CN2CCN(c3ccccc3O)CC2)c1C 96489439 DKIZVMVTMHZZLO-UHFFFAOYSA-N 314.433 2.548 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)CCCc1cccs1)C2 69741957 WQJLMOBDBJALIN-UHFFFAOYSA-N 318.446 2.828 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)NCCn3cccn3)n2)cc1F 69981999 WOXZJDYSQJAUTO-GFCCVEGCSA-N 315.352 2.731 0 40 DFAB Cc1nnc(O)c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1C 84052107 KESZZFGZOSWVJV-ZETCQYMHSA-N 318.402 2.633 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)NCc2ncccc2F)ccn1 97045184 IHPJYIHSWCMZQI-NSHDSACASA-N 303.337 2.723 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)n1 72279968 FIGCEWGSZOOAJR-NVXWUHKLSA-N 319.449 2.696 0 40 DFAB C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H](c2ccccc2)O1 72273698 HYMDFQXMVHMAHQ-WBVHZDCISA-N 313.401 2.652 0 40 DFAB CC[C@H]1CCCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 95399684 QBVYONVHTTYAME-CVEARBPZSA-N 306.450 2.816 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCS[C@H]2COCC[C@@H]21 95425918 PKAWFWXEEUARGN-WPRPVWTQSA-N 303.836 2.748 0 40 DFAB Cc1cccnc1[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)C(C)C 95404009 DOALPLXLIUKWIW-QLFBSQMISA-N 316.401 2.870 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@H](C)O)n1 110648851 LLFQEZLSHYEJPN-BFHYXJOUSA-N 311.426 2.539 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)N3CC[C@@](C)(F)C3)o2)cc1 95452189 VCHVITVMMDRQSY-QGZVFWFLSA-N 317.364 2.938 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(OCC(F)F)n1 95943380 MYQDNMYFVMPKHE-UHFFFAOYSA-N 311.292 2.709 0 40 DFAB CCOc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 95939188 XYKCDCBTNQQWGR-AWEZNQCLSA-N 315.377 2.963 0 40 DFAB Clc1ccc([C@H](CNCc2cc[nH]c2)N2CCOCC2)cc1 86252209 ASQJOASVVHLXEN-KRWDZBQOSA-N 319.836 2.831 0 40 DFAB COCc1nc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)cs1 89580483 HPYMXLHWOIIBDA-LFYBBSHMSA-N 318.354 2.844 0 40 DFAB Cc1cc(C)c(CNC(=O)Cc2ccc3c(c2)CCCC3)c(=O)[nH]1 89568545 BEJRRUVYPXCTIF-UHFFFAOYSA-N 324.424 2.729 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N1CCc2c(F)cc(F)cc2C1 89522805 MOCLBUFDVKQIFT-UHFFFAOYSA-N 320.343 2.573 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cnc2n1CCCC2 89941206 GFEAVJBUYNGHQO-CQSZACIVSA-N 324.428 2.700 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2cccc(COC)c2)C12CCC2 89985894 UIJWXEWVSLHWTR-HOTGVXAUSA-N 303.402 2.911 0 40 DFAB O=C(c1noc2c1CCCC2)N1CCC[C@H](c2ccncc2)C1 552224367 VNMVHVOGAHBTOB-AWEZNQCLSA-N 311.385 2.968 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc32)c(C)c1 32610275 KYLPYSFQKGYKOS-CQSZACIVSA-N 308.385 2.926 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N2CCOc3ccccc32)c1 30581783 YNWDIXNCJIKAJX-UHFFFAOYSA-N 303.383 2.891 0 40 DFAB COc1ccc2cc(C(=O)N3CCCCCC3)c(=O)oc2c1 33809413 LGULNBIJCFSTBT-UHFFFAOYSA-N 301.342 2.818 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 35971966 YFHIHHSKKBPKCI-LJQANCHMSA-N 324.380 2.895 0 40 DFAB CCCOCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77647854 GZFOCBBHNZRBEK-NSHDSACASA-N 306.189 2.570 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)c2ccccc2Br)o1 49410674 WBHJDWBDNOPNDM-GFCCVEGCSA-N 324.174 2.814 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)no1 73252041 OIGNRJFJMASLTJ-GFCCVEGCSA-N 308.341 2.931 0 40 DFAB Cc1ccc(NC(=O)NCc2ccnc(N3CCCC3)n2)cc1 224200988 ZEDGDFBJDXCVPR-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCOC2(CCCC2)C1 225457896 AANHQBWXTDUERF-AWEZNQCLSA-N 323.458 2.796 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)n1)C1CCCCC1 224205030 KHQIUGMTGZJSAW-UHFFFAOYSA-N 302.422 2.663 0 40 DFAB COc1cc(OC)cc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)c1 40309948 RHYBEWUZABJLQT-PKOBYXMFSA-N 324.380 2.628 0 40 DFAB biogenic CCOC(=O)c1cnc2c(c1O)CCN(Cc1ccccc1)C2 45028257 PPRZIPDYUCSLLE-UHFFFAOYSA-N 312.369 2.522 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)N1CCc2cc(F)ccc2C1 192350669 QKBSJMLCRCNYGR-UHFFFAOYSA-N 307.365 2.832 0 40 DFAB CCn1cc(NC(=O)[C@H]2CCCc3c(O)cccc32)ccc1=O 190150546 XEOAZEVQQXDQGU-HNNXBMFYSA-N 312.369 2.632 0 40 DFAB CN1CCC2(CC1)CN(C(=O)c1ccncc1)Cc1ccccc12 96242388 BJZLXQFLZOSESB-UHFFFAOYSA-N 321.424 2.701 0 40 DFAB Cc1nc(CCNC(=O)N2CCS[C@H](C(C)C)C2)cs1 96439168 KBEOVYZTWFFFIW-ZDUSSCGKSA-N 313.492 2.777 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC 95533885 SLJRNQKVOIIBED-INIZCTEOSA-N 324.384 2.845 0 40 DFAB CCc1nn(C)cc1N[C@H](C)C(=O)N1CCCc2ccccc21 331781865 MXCNECGFXQAZKA-CYBMUJFWSA-N 312.417 2.762 0 40 DFAB COc1cc(OC)cc([C@@H](O)CNc2ccc(Cl)cn2)c1 96429840 SBVSVYBADVOQRR-AWEZNQCLSA-N 308.765 2.898 0 40 DFAB COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)n[nH]c1C 95480940 XTTGCLHXJLTNKE-GFCCVEGCSA-N 306.387 2.841 0 40 DFAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 245344038 WZGLQQBDICZPMA-ZCPGHIKRSA-N 302.418 2.796 0 40 DFAB c1ccc(OC[C@H]2CN(Cc3ccoc3)Cc3cncn32)nc1 247960860 OGNHKIUBPRPPHF-MRXNPFEDSA-N 310.357 2.507 0 40 DFAB CCOc1ccc([C@@H]2C[C@H](NC(C)=O)[C@H]3CCC[C@@H]3O2)cc1O 257331850 XUNLCJISJQKEAN-OAOQPFQOSA-N 319.401 2.926 0 40 DFAB Cc1csc(C(=O)NCCc2csc(-n3cccn3)n2)c1 90609513 JIAYSDZRHHSFCW-UHFFFAOYSA-N 318.427 2.671 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCC(Oc2cccnn2)CC1 96102907 PYSPTFHIUTUQQN-CMDGGOBGSA-N 309.369 2.560 0 40 DFAB C[C@@H](SCc1nn(-c2ccc(F)cc2)c2c1CCC2)C(N)=O 72274441 BGYUYXNRZDXEBI-SNVBAGLBSA-N 319.405 2.607 0 40 DFAB C[C@@]1(c2cccs2)NC(=O)N(Cc2cccc(F)c2)C1=O 53863952 YVFRAYVSWMMMJY-HNNXBMFYSA-N 304.346 2.854 0 40 DFAB COC1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 53886383 BXRYBMSAUDIUCN-GFCCVEGCSA-N 309.793 2.529 0 40 DFAB O=C(NCc1ccon1)Nc1ccc(OCc2cccnc2)cc1 84425101 PTQZAFMFYZKERR-UHFFFAOYSA-N 324.340 2.970 0 40 DFAB COC(=O)C[C@@H]1CSCCN1Cc1csc(C(C)C)n1 84631005 NGNLGCMVYFSMSE-GFCCVEGCSA-N 314.476 2.747 0 40 DFAB Cn1c([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)n[nH]c1=S 78621873 NMOJYDSHLWZWAX-NSHDSACASA-N 308.451 2.764 0 40 DFAB C[C@@H](CNC(=O)NCc1cccc(N(C)C)n1)c1cccs1 89901103 LVJANRMHEOXNMM-LBPRGKRZSA-N 318.446 2.812 0 40 DFAB Cc1cccn(CC(=O)N2CCC[C@H]2c2cccs2)c1=O 96447925 SMLCHYFKRMCTAP-ZDUSSCGKSA-N 302.399 2.582 0 40 DFAB CC(C)c1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1 40511412 YKEDARDBMSKCGI-JTQLQIEISA-N 324.406 2.738 0 40 DFAB O=C(N1Cc2cccnc2C1)C1(c2ccccc2)CCOCC1 585392720 NLQRPIQGPUBHEK-UHFFFAOYSA-N 308.381 2.672 0 40 DFAB Cc1c(CN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)cnn1C 195555550 RKHIQCNLZCQKGF-SWLSCSKDSA-N 322.453 2.606 0 40 DFAB COc1ccc([C@H](O)[C@H]2N=C(N)S[C@H]2c2ccccc2)cc1 5003660 AXNGOUSWORRIRG-PMPSAXMXSA-N 314.410 2.900 0 40 DFAB CCCn1ccnc1SCCN1C(=O)c2ccccc2C1=O 12529450 IOXYNWSJIAHKFG-UHFFFAOYSA-N 315.398 2.681 0 40 DFAB O=C(O)c1ccc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2)c1 13391915 IISMBIGNUSJZNW-UHFFFAOYSA-N 319.700 2.989 0 40 DFAB C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C)NC(=O)c1ccccc1 35769725 ZMYHCLFAROKGLG-IIAWOOMASA-N 302.418 2.890 0 40 DFAB COc1ccc2sc(N3CCC4(CC3)OCCO4)nc2c1 1888930608 XQWAAXSCVLAIQY-UHFFFAOYSA-N 306.387 2.648 0 40 DFAB CC(C)CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 15499662 LOFCNRGDZVFCIX-UHFFFAOYSA-N 303.811 2.519 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 19309972 VXUHESPIEHDYCZ-DGCLKSJQSA-N 321.446 2.507 0 40 DFAB O=C(COc1ccccc1)NCCn1cc(-c2ccccc2)cn1 245171689 XQEZFAOWJMTYPL-UHFFFAOYSA-N 321.380 2.745 0 40 DFAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)C1CCCCC1 9570698 YJWXCGCOUGBCLB-UHFFFAOYSA-N 319.796 2.512 0 40 DFAB O=C(/C=C/c1ccco1)N1CCCN(C2CCSCC2)CC1 575617116 YXHZKUJZGVBIQF-SNAWJCMRSA-N 320.458 2.723 0 40 DFAB CN1C[C@H](NCc2ccc(Oc3ccccc3)o2)CCC1=O 96500126 HJBFSRWKJSPWHW-CYBMUJFWSA-N 300.358 2.782 0 40 DFAB CCN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 38303 JGJMAGYJXPIPPW-UHFFFAOYSA-N 319.412 2.834 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccccn1 40494430 QFFUGDZKWOIMNZ-SECBINFHSA-N 314.769 2.914 0 40 DFAB CCOc1cc(C(=O)N(C)C)ccc1OCc1ccncc1 40498447 JAKSZNVBTMDFHE-UHFFFAOYSA-N 300.358 2.761 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)C/C=C/c2ccccc2)no1 40541427 TXZGKMOAPLBWQE-JXMROGBWSA-N 320.414 2.995 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)C1[C@H]2CCC[C@H]12 101477909 PHRKUSSRBGMNDQ-IHRRRGAJSA-N 322.449 2.938 0 40 DFAB COCc1ccccc1CNS(=O)(=O)c1ccc(C)c(F)c1 32418666 NNFRASMNWUTZKE-UHFFFAOYSA-N 323.389 2.759 0 40 DFAB O=C(Nc1cccc(OCc2ccncc2)c1)c1ccc[n+]([O-])c1 32921883 JIMQAEADKOGEBQ-UHFFFAOYSA-N 321.336 2.546 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1 46346601 QFGPPHUDWPRJJN-UHFFFAOYSA-N 301.371 2.771 0 40 DFAB CC1CCN(c2nc(Cl)nc(NCc3ccco3)n2)CC1 290775 VQYKGFQIADUINJ-UHFFFAOYSA-N 307.785 2.966 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 317795 CAGSVWHASYJWOK-ZDUSSCGKSA-N 307.353 2.905 0 40 DFAB COC(=O)c1cc(NCC(=O)NC2CCCCC2)ccc1Cl 29942494 VMUDMMSOSFSPID-UHFFFAOYSA-N 324.808 2.987 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)N[C@H](CCO)C2CC2)c1 76021539 IGDCINLIVOADME-MRXNPFEDSA-N 305.422 2.814 0 40 DFAB O=C([C@H]1CCOc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 78743520 SZRPTCUJWUJNRB-HIFRSBDPSA-N 311.385 2.682 0 40 DFAB COc1ccc([C@@H]2CCN(CC(=O)Nc3ccncc3)C2)cc1 78737247 OSXJFPDYRYWBAI-OAHLLOKOSA-N 311.385 2.518 0 40 DFAB CCOc1ccc(CCNC(=S)NC2CC2)cc1OCC 2733095 XEYLAQDDSLYGRJ-UHFFFAOYSA-N 308.447 2.653 0 40 DFAB CCOC(=O)C1=C(c2ccccc2)c2ccccc2O[C@@H]1C(=O)O 4962725 NZIWUJWKRUAOQJ-KRWDZBQOSA-N 324.332 2.897 0 40 DFAB CCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3ccccc32)cc1 4993097 UZRSYAVVPWXHLM-GOSISDBHSA-N 324.380 2.809 0 40 DFAB CCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 6951308 QDCQZBSRCXANOO-RUDMXATFSA-N 301.129 2.612 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1C 7382672 NQGGGAOVVFKDOG-UHFFFAOYSA-N 315.392 2.743 0 40 DFAB COc1ccccc1OCCSc1ncnc2c1cnn2C 53713815 XJDKCCZTQRVPSR-UHFFFAOYSA-N 316.386 2.543 0 40 DFAB COc1ccc(CCNC(=O)Cc2cccc(F)c2)cc1OC 8115629 FOTWBLNQLMVLPY-UHFFFAOYSA-N 317.360 2.744 0 40 DFAB COc1ccc(-n2nc(C(=O)O)nc2-c2ccc(C)cc2)cc1 8730806 UMIKEOPLEQOJJF-UHFFFAOYSA-N 309.325 2.950 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1 105123100 QIGDCEFPCMAXOY-ZENOOKHLSA-N 302.418 2.746 0 40 DFAB COCC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 55825187 AEIDSXMXTXNRSP-UHFFFAOYSA-N 304.390 2.676 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H](C)CCCO 108101801 HSVWRMWVLKQPNF-HWWQOWPSSA-N 308.397 2.909 0 40 DFAB C[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 108461157 VYBHYUBJEUMASB-DSPQJCBJSA-N 308.447 2.897 0 40 DFAB O=C(c1ccc(Cl)nc1)N1CCN(c2ccc(F)cc2)CC1 3272568 LIFOAZZDELILAX-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB CN(C)[C@H](CNC(=O)N1CCc2sccc2C1)c1ccco1 44895076 UODZRBMUBIIPGL-CYBMUJFWSA-N 319.430 2.712 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCc1cccc(F)c1 44896258 WXHHZESTYSNZTH-UHFFFAOYSA-N 323.371 2.913 0 40 DFAB O=C(Nc1nncs1)N[C@H](c1ccccc1)C(F)(F)F 58289642 NHLNCPVZODSLCZ-MRVPVSSYSA-N 302.281 2.963 0 40 DFAB COC(=O)CCNC(=O)c1sc(-c2ccccc2)cc1OC 48185923 AMLGHQVULFEPCO-UHFFFAOYSA-N 319.382 2.717 0 40 DFAB CC(C)[C@@H](C)NC(=O)Nc1ccccc1CN1CCOCC1 48146947 UQZZPZNNXFDWEZ-CQSZACIVSA-N 305.422 2.685 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 44907366 CYKQBDXYFHZPFJ-IUCAKERBSA-N 319.430 2.866 0 40 DFAB CC[C@H](NC(=O)NCc1nncn1CC)c1cccc(Cl)c1 48277948 CIMFJDFVOHAIAT-ZDUSSCGKSA-N 321.812 2.902 0 40 DFAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc21 3339543 CUTLNXXZSSHEPZ-ZDUSSCGKSA-N 324.380 2.848 0 40 DFAB Cc1ccccc1-c1noc(CN[C@@H](C)[C@@H](C)n2cccn2)n1 69973146 HOJAJJJBYRNJLI-UONOGXRCSA-N 311.389 2.981 0 40 DFAB CCC(C)(C)NC(=O)CSc1nnc(NC2CC2)s1 12979310 RBQHCAXTTJDCKT-UHFFFAOYSA-N 300.453 2.509 0 40 DFAB CN/[S@](=N\S(=O)(=O)c1ccccc1)c1ccc(C)cc1 13116280 RMOHATNNBAPWPF-IBGZPJMESA-N 308.428 2.679 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCCSc2ccccc21 8745775 MZBQMFOVKMFFGM-UHFFFAOYSA-N 324.409 2.960 0 40 DFAB O=C(O)c1cccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c1 13419237 WAZPCTXUNCRYCN-MRXNPFEDSA-N 311.337 2.784 0 40 DFAB CCOc1ccccc1OCC(=O)Nc1nc2ccccc2[nH]1 6083028 KBTHOFBHQVPVPV-UHFFFAOYSA-N 311.341 2.979 0 40 DFAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1 8985137 RVLFIKOIUSIFDF-CYBMUJFWSA-N 319.430 2.663 0 40 DFAB c1ccc(-n2cnc(CN3CCC[C@H]3c3ccncc3)n2)cc1 92807974 BPFKKBMECZAAQF-KRWDZBQOSA-N 305.385 2.999 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1 14201172 ATTATPNXUUJVLD-SWLSCSKDSA-N 304.390 2.606 0 40 DFAB Cc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)s1 7048682 DWASNMPVXIGSEA-UHFFFAOYSA-N 300.339 2.650 0 40 DFAB O=C(NCC1CCN(Cc2ccco2)CC1)c1cccs1 23128021 AVDQXMMGLUGMBZ-UHFFFAOYSA-N 304.415 2.983 0 40 DFAB O=C(CCC1CCCC1)N[C@H]1CCN(c2ccccc2)C1=O 68207097 PBGQXQWWBAJPCX-INIZCTEOSA-N 300.402 2.879 0 40 DFAB CC1=Nn2c(nc3sc4c(c3c2=O)CC[C@H](C)C4)SC1 19797069 JXAOSCNCNPEJOU-ZETCQYMHSA-N 305.428 2.913 0 40 DFAB COc1ccc(Br)cc1CSc1ncn[nH]1 8154770 LLAYZZWDWAVSSZ-UHFFFAOYSA-N 300.181 2.868 0 40 DFAB COC(=O)CCCNC(=O)c1cc2ccccc2cc1OC 9313884 AIWGXBURLOEAGC-UHFFFAOYSA-N 301.342 2.531 0 40 DFAB COc1cccc(N2CCN(C(=O)c3ccc(C)o3)CC2)c1 8244286 CNMCHAHYOMZZQE-UHFFFAOYSA-N 300.358 2.559 0 40 DFAB CN(C(=O)[C@@H]1COCCO1)c1ccccc1Oc1ccccc1 69440375 AKGZLSIGOWRASM-KRWDZBQOSA-N 313.353 2.857 0 40 DFAB COc1ccc([C@H](CO)NC(=O)Nc2ccc(F)cc2F)cc1 69530258 VBUMIBBQUMUWEV-HNNXBMFYSA-N 322.311 2.829 0 40 DFAB CCC[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1 69670046 HWLPXRNXCFOALZ-IUODEOHRSA-N 307.390 2.852 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)COC4)C2)c1 69617027 ICZMGQMYCDZDPF-QGZVFWFLSA-N 311.385 2.699 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](n2ccnc2)C1 69662326 IALPMGUDNQCXQU-RDJZCZTQSA-N 313.401 2.652 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCC[S@@](=O)c2ccccc2)c1 69655260 CIBXMNUJFZRQAS-ZSDSOXJFSA-N 305.447 2.538 0 40 DFAB COc1ccc(Cc2c(Cl)nc3n(c2=O)CCS3)cc1 9447096 FVMIPFRGCLKATG-UHFFFAOYSA-N 308.790 2.602 0 40 DFAB CN(CC1CC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 83859089 SAUATPDFVASHBD-SJORKVTESA-N 308.466 2.526 0 40 DFAB Cc1c(C(=O)NC[C@H](O)C2CCOCC2)oc2c(C)cccc12 71915010 XWNCVLCCIOLIKZ-HNNXBMFYSA-N 317.385 2.567 0 40 DFAB O=C(NCCc1csc(-c2ccccc2)n1)c1cnccn1 96634208 MOLHZWWSSXXNPH-UHFFFAOYSA-N 310.382 2.573 0 40 DFAB OC1(C(F)(F)F)CCN(Cc2ccc3c(c2)CCO3)CC1 97162242 ZMQXQYWFPFMXGX-UHFFFAOYSA-N 301.308 2.511 0 40 DFAB COCCC1(NC(=O)c2cc(F)c(F)c(O)c2F)CCCC1 97113035 FTAICTAUGQZKQA-UHFFFAOYSA-N 317.307 2.889 0 40 DFAB C[C@@H](NCCCN1CCCC1=O)c1ccc(F)cc1N(C)C 95419455 YTUSTGCDCFTNMY-CYBMUJFWSA-N 307.413 2.555 0 40 DFAB COc1nccc(N(C)C)c1NC(=O)NCCc1cccs1 95466923 GUGUDLIJCPZVCL-UHFFFAOYSA-N 320.418 2.582 0 40 DFAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]1CO 95960294 HOMZCWBJMVFDHH-ZBFHGGJFSA-N 304.434 2.909 0 40 DFAB COc1ccc(NC(=O)N2CCC(CCCN(C)C)CC2)cn1 89314244 PKRZNZNVMHWDME-UHFFFAOYSA-N 320.437 2.676 0 40 DFAB C[C@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@H]1O 89424202 PYOVPMKDIHMXPY-WFASDCNBSA-N 316.426 2.577 0 40 DFAB O=C(NCC1(CO)CC1)N[C@H]1CCC[C@H]1c1ccc(F)cc1 89783314 XNWGOIMPDYMZNM-GJZGRUSLSA-N 306.381 2.534 0 40 DFAB O=C(CC[C@@H]1CCCO1)NCc1nnc(-c2ccccc2)s1 89853123 FCNOPGRSSWBGDD-ZDUSSCGKSA-N 317.414 2.781 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)N2CCC3(CCCCC3)C2)C1 89941647 SACRJDUYNQQQEM-HNNXBMFYSA-N 306.450 2.818 0 40 DFAB CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)C[C@H]1N(C)C 89948359 XFUOCBVHTYHRCP-BNEJOLLZSA-N 316.445 2.597 0 40 DFAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccon1 89930199 TUDFMNPFIRLMEF-KBPBESRZSA-N 313.401 2.561 0 40 DFAB COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408722697 WEORXKBWQZXQNI-ACJLOTCBSA-N 315.369 2.789 0 40 DFAB Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N1CC[C@H](CF)C1 1849835394 YCOWEJWPZWNRLM-SNVBAGLBSA-N 323.318 2.797 0 40 DFAB N[C@H]1CC12CC(NC(=O)NCCc1csc3ccccc13)C2 1551602094 ZNZQDSAUFKIHOX-VXKCQOAXSA-N 315.442 2.623 0 40 DFAB COCCc1nnc(S[C@H](c2ccccc2)C(C)C)n1N 521394564 ZULOHDOLQLXELK-AWEZNQCLSA-N 306.435 2.670 0 40 DFAB CCC[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2CO)CCO1 185691194 IMZOXIXCHRLEGM-NUJGCVRESA-N 317.429 2.700 0 40 DFAB COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1 409195516 QHVPOTNWLMRQNS-LFIBNONCSA-N 308.337 2.788 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(Cn2cnc(C(=O)O)c2)cc1 72221257 OLWWSBQTAIUCQH-UHFFFAOYSA-N 317.345 2.977 0 40 DFAB COc1ncc(COc2ccc([C@@H]3CCOC3)cc2)c(C)n1 531699816 KBLRNVYHWKWKQG-CQSZACIVSA-N 300.358 2.877 0 40 DFAB COc1ccc(Oc2cncc([C@@H]3CCCN3C(C)=O)n2)cc1 72361772 QVWJZPCKXKWKJJ-INIZCTEOSA-N 313.357 2.961 0 40 DFAB CC(C)NC(=O)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32090327 LDTPYVUNFKYXST-UHFFFAOYSA-N 307.353 2.524 0 40 DFAB COc1ccc2cc(C(=O)N3CCC(CC(=O)O)CC3)[nH]c2c1 558196811 GAVQMDUEJLZRGO-UHFFFAOYSA-N 316.357 2.503 0 40 DFAB Cc1cccc(C2(NCC(=O)NC3CCOCC3)CCCC2)c1 72962816 ACXJAVOUZQNOLG-UHFFFAOYSA-N 316.445 2.649 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)c1coc(-c2ccccc2)n1 79582777 CKVMYAVXBDUNGI-UHFFFAOYSA-N 309.325 2.601 0 40 DFAB O=C(CN1CCC(O)CC1)Nc1ccccc1Cc1ccccc1 32664927 JFWIXPGKMDOMHE-UHFFFAOYSA-N 324.424 2.673 0 40 DFAB Cc1cc(C)c(CNC(=O)CCSc2nc(C)n[nH]2)c(C)c1 81247742 OHOPZJGBJQZRCG-UHFFFAOYSA-N 318.446 2.837 0 40 DFAB Cn1cc(-c2nc(-c3cccc(S(C)(=O)=O)c3)cs2)cn1 225455612 KVKTXRVLBKXBHO-UHFFFAOYSA-N 319.411 2.614 0 40 DFAB C[C@]1(C(=O)NCCC2=CCCCC2)Oc2ccccc2NC1=O 41545429 XNNFTKWJRKTQSV-GOSISDBHSA-N 314.385 2.783 0 40 DFAB Cc1cc(Cl)c(C(=O)O[C@@H]2CCCS(=O)(=O)C2)cc1C 195557381 AZLVLEYDNAVSIM-LLVKDONJSA-N 316.806 2.691 0 40 DFAB COc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Cl 48044519 ACIGNSFQKFGQFN-SNVBAGLBSA-N 303.811 2.769 0 40 DFAB COc1ccccc1NC(=O)Nc1cnc(N2CCCC2)nc1 224262978 BONBEUMKVCFTNK-UHFFFAOYSA-N 313.361 2.729 0 40 DFAB CCC(=O)NCc1nc(-c2cccc(Br)c2)no1 224865610 JUHSXYYVOLKYKI-UHFFFAOYSA-N 310.151 2.525 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC)c1ccccc1 223337204 VGSNMELDBOZZCN-GOSISDBHSA-N 310.397 2.913 0 40 DFAB COc1cc(Cl)nc(NC(=S)NC2CCCCC2)n1 226009423 SDCOWSOHWUKVNK-UHFFFAOYSA-N 300.815 2.758 0 40 DFAB C[C@H](CNC(=O)[C@@H]1CCCc2cccnc21)c1nccs1 194863526 AAZBEKNMFVDLBJ-DGCLKSJQSA-N 301.415 2.878 0 40 DFAB COc1ccccc1CCN(C)[C@H](C)c1nc(C)cc(O)n1 192573802 XFKZTNGONSYVPS-CYBMUJFWSA-N 301.390 2.735 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(Br)c(F)c1 96435444 UBYGXDMFTMZEQW-ZETCQYMHSA-N 305.147 2.745 0 40 DFAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 96452270 MVOYAKYNZMNOSX-WDEREUQCSA-N 310.369 2.895 0 40 DFAB c1csc(CN2CCCn3cnc(COCC4CC4)c3C2)n1 96059018 SHCYUTLXUFOSBX-UHFFFAOYSA-N 318.446 2.672 0 40 DFAB O=C(CSCc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96123080 YYPHMMQPQUWWFL-OAHLLOKOSA-N 317.414 2.716 0 40 DFAB CC[C@@](Br)(C(=O)c1ccccc1C)S(C)(=O)=O 96518686 WEGXQLYUORXUAH-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1 230104223 XAYHCPFRDWMFMP-KBPBESRZSA-N 301.415 2.735 0 40 DFAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@H](OC)CO3)cc1 96110803 WQTUAWIEXAUNFN-INIZCTEOSA-N 303.402 2.659 0 40 DFAB CC[C@@H](C)[C@@H](C(=O)NCCCN1CCOC1=O)c1ccccc1 96408428 GKVRJPKKMQAVMV-GDBMZVCRSA-N 318.417 2.775 0 40 DFAB COc1ccc(OC(=O)CCn2c(C)csc2=O)cc1C 96422447 KWUGGSLXKSZAIA-UHFFFAOYSA-N 307.371 2.531 0 40 DFAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccs2)nc1 96058038 ANKBDUZTBPTTLE-ZMSDIMECSA-N 316.426 2.954 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039469 BADKSTCELMBBIQ-FUHWJXTLSA-N 320.433 2.679 0 40 DFAB CC(=O)c1ccc(CNC(=O)c2cc(F)ccc2C)nc1C 95448357 IQZOWQNKHZEIBW-UHFFFAOYSA-N 300.333 2.970 0 40 DFAB CSCc1cccnc1C(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 581414121 LIXRYXGOPODQAD-IACUBPJLSA-N 306.431 2.632 0 40 DFAB C[C@@H]1[C@@H](NC(=O)CN(C)CCOc2ccccc2)CCC[C@H]1C 245237767 VTZICEVSZGJKPF-RYRKJORJSA-N 318.461 2.938 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2cncc(C)n2)C1 257278989 OENIDNZAUQAMFB-ZDUSSCGKSA-N 314.389 2.664 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)C1 253369441 CRPFMNKIEDUEBO-DPAVQSFQSA-N 314.429 2.964 0 40 DFAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCCCCC2)n1 256046281 DXURBUZXVMHWIO-UHFFFAOYSA-N 314.389 2.908 0 40 DFAB CNc1cnc(C[C@H]2CCCN(Cc3cncs3)CC2)cn1 257280480 OLBBLCBSCFPONI-ZDUSSCGKSA-N 317.462 2.820 0 40 DFAB c1cc(CC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)ncn1 257278270 OBNSUCXVVFRPDM-SFHVURJKSA-N 322.412 2.792 0 40 DFAB CCN1CC[C@@]2(CCCN(C(=O)c3cccs3)CC2)C1=O 585102557 RVOASSINSSYNQM-MRXNPFEDSA-N 306.431 2.613 0 40 DFAB COc1cc2c(cc1O)CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 71261576 NNGHNWCGIHBKHE-FVQBIDKESA-N 305.418 2.727 0 40 DFAB in-vitro COc1cccc(-c2noc(CN3C[C@@H](C)OCC3(C)C)n2)c1 91089709 BUQOSPRBMRYKKG-GFCCVEGCSA-N 317.389 2.745 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sn1 89608903 KRJCIOMSXPWBHC-SNVBAGLBSA-N 305.334 2.655 0 40 DFAB Cc1cccc(CC(=O)N2CCC(C3(C)OCCO3)CC2)c1 96461817 FOGJKQXNGKUCFN-UHFFFAOYSA-N 303.402 2.539 0 40 DFAB CO[C@H]1CCCN(Cc2cn(C)cn2)[C@H]1Cc1ccc(F)cc1 1615192892 ZRTREMTXPZBUGW-ROUUACIJSA-N 317.408 2.781 0 40 DFAB Cc1cccc(-c2noc(C)c2C(=O)NCCn2ccc(C)n2)c1 12199103 LZERIRJUPZBQCT-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB COC(=O)/C(=C1/Oc2cc3c(cc2S1)OCO3)C(F)(F)F 4111120 GKOGIBVIGYQYIH-PKNBQFBNSA-N 320.244 2.847 0 40 DFAB CCCCN1C(=S)S[C@H](C(=O)Cc2cccc(C)c2)[C@@H]1N 19842805 GZBRZLVWFXVCQM-HUUCEWRRSA-N 322.499 2.894 0 40 DFAB O[C@H](CNc1ccnc(Cc2ccccc2)n1)c1ccncc1 167252242 HBWJCQHKGMMUKD-MRXNPFEDSA-N 306.369 2.608 0 40 DFAB Cc1cc(OCC(=O)NC2CCN(C)CC2)cc(C)c1Cl 157363193 PXMGYHQLZFVXSY-UHFFFAOYSA-N 310.825 2.546 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CCc1cc(F)cc(F)c1)C(=O)O 2546987 HMEBRPWJVMJDBK-GFCCVEGCSA-N 315.316 2.875 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCC3(CC2)CC3(F)F)cc1 593301004 WXIHYLJESPIUKK-UHFFFAOYSA-N 309.312 2.735 0 40 DFAB FC(F)(F)c1cc(OC2CN(c3nccs3)C2)ccn1 1888859910 QAJLGODZEOIXJE-UHFFFAOYSA-N 301.293 2.825 0 40 DFAB CSc1cccc2sc(N3CC(n4nccn4)C3)nc12 1889151931 KZDLLEHPDGBPFS-UHFFFAOYSA-N 303.416 2.671 0 40 DFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccncc1 20613019 MVDZQKFZMPLLFX-UHFFFAOYSA-N 304.371 2.518 0 40 DFAB O=C(C[C@H]1Nc2ccccc2N=C1O)NCCc1ccccc1 82264 ALYVOKZTHSTUAG-MRXNPFEDSA-N 309.369 2.818 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 13715455 MNSKBAVUFVCKIM-UHFFFAOYSA-N 318.323 2.848 0 40 DFAB CCOc1ccccc1NC(=O)/C(Cl)=C(/Cl)C(=O)O 17176652 FWYKXJCNEPARGF-KTKRTIGZSA-N 304.129 2.798 0 40 DFAB Cc1cc(C(=O)N[C@H](c2cccs2)C2CCOCC2)n(C)n1 585149442 SLYAZOAUUAUQMD-HNNXBMFYSA-N 319.430 2.688 0 40 DFAB FC(F)(F)c1ccc(N2CCCN(c3ncccn3)CC2)nc1 40468591 VYZNYBMPXOKPEZ-UHFFFAOYSA-N 323.322 2.607 0 40 DFAB C[C@H]1CC(=O)Nc2ccccc2N1Cc1nnsc1Cl 40473989 HXGZUMJHMCJHIO-QMMMGPOBSA-N 308.794 2.929 0 40 DFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)c1ccccc1 40468402 XXHDLGGNNPUESE-KXBFYZLASA-N 322.412 2.994 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)[C@@H](C(=O)O)C1 20357929 XEXAQXOMAAQNNI-KBPBESRZSA-N 305.374 2.797 0 40 DFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 21876646 HXNQOKSWXVDCDA-QGZVFWFLSA-N 312.413 2.894 0 40 DFAB Cc1cc(Nc2ccc(N3CCCCC3)cc2)n2nnnc2n1 199126 LHSJFWPFZJCPRM-UHFFFAOYSA-N 309.377 2.562 0 40 DFAB CC(C)CC1=NN(C(=O)c2ccco2)[C@@](O)(C(F)(F)F)C1 280394 SKZHRUFSZCGJCQ-LBPRGKRZSA-N 304.268 2.779 0 40 DFAB Cc1noc([C@@H]2CCCN([C@@H](C)c3nc(C4CC4)no3)C2)n1 52863665 XTWNVAXMQQYUBC-JOYOIKCWSA-N 303.366 2.579 0 40 DFAB CC[C@H](CNC(=O)N1CCC(OC)CC1)Oc1ccccc1F 79014615 LODUXGIDRLNMEC-CYBMUJFWSA-N 324.396 2.804 0 40 DFAB O=C(NCCc1cnc[nH]1)c1cc(-n2cccc2)ccc1Cl 79501988 NDGRKYRNHNWPBU-UHFFFAOYSA-N 314.776 2.826 0 40 DFAB COc1cccc2[nH]c3c(N4C[C@H](C)O[C@@H](C)C4)ncnc3c12 545365 JSQKNGMRIXVNMF-QWRGUYRKSA-N 312.373 2.733 0 40 DFAB COc1ccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)cc1 553458 BXOYHSDEKOVJHH-INIZCTEOSA-N 321.336 2.550 0 40 DFAB CN(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)C1CCCC1 53332214 XFSCTDXBBQIWOS-UHFFFAOYSA-N 317.385 2.822 0 40 DFAB CCCc1cc(C)nc(SCC(=O)Nc2ccccn2)n1 6391241 FHUWWBWSNGDXLC-UHFFFAOYSA-N 302.403 2.863 0 40 DFAB CCSc1nnc(NC(=O)Cc2csc(C)n2)s1 6767568 RQNCHXSEUDLZLC-UHFFFAOYSA-N 300.434 2.596 0 40 DFAB COc1ccccc1C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100923959 VDJUEWBTAXKCSD-MRXNPFEDSA-N 308.337 2.917 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)c1cn2cc(Cl)ccc2n1 12323697 WASJZDSGQYSLPY-JTQLQIEISA-N 303.749 2.942 0 40 DFAB COC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 53897758 QIDWCIXUPHRGPB-GOSISDBHSA-N 316.445 2.851 0 40 DFAB O=C(Nc1ncn(Cc2ccccc2)n1)c1cc(F)cc(F)c1 54236552 JUOFYQIIRBNZSC-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)COC2CCCC2)C1 54223016 GGHLOEOQJFUABA-WBVHZDCISA-N 316.445 2.897 0 40 DFAB O=C(Nc1ccc(F)cc1Cl)c1cccnc1-n1cncn1 24377303 VGZWEJXELHSRPE-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]1O2 107264852 SPILNSFRGPPHMB-GBESFXJTSA-N 322.408 2.915 0 40 DFAB Cc1nc2nc(NCc3c(F)cccc3Cl)nn2c(O)c1C 9356699 QFGMBQVGFGLGGB-UHFFFAOYSA-N 321.743 2.851 0 40 DFAB CC1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 57355515 YTNXYLXLWYJVGV-WMZOPIPTSA-N 314.429 2.855 0 40 DFAB COc1ccc([C@@H](NC(=O)[C@@H]2CCCN2C)C(F)(F)F)cc1 108465037 MNGOIBFUPTWNME-QWHCGFSZSA-N 316.323 2.509 0 40 DFAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1 108480731 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CCCn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O 3549310 HTVCZIYWYYLSIW-UHFFFAOYSA-N 313.401 2.869 0 40 DFAB Fc1cccc(N2CCC[C@H]2c2nnc3n2CCCCC3)n1 69654246 FMWLLCNOWSABNH-LBPRGKRZSA-N 301.369 2.880 0 40 DFAB COC(=O)[C@H](CCSC)NC(=O)NC1CCCCCCC1 4089994 XXRZDNWYAYUOID-ZDUSSCGKSA-N 316.467 2.693 0 40 DFAB biogenic Cc1ccccc1-n1nnc(C(=O)N[C@@H](C)c2ccccc2)c1N 13655919 VQBFEQJSDUBBOV-ZDUSSCGKSA-N 321.384 2.649 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccnc2ccccc12)C(=O)O 6186815 PYIMRQWQFOYRSI-CQSZACIVSA-N 316.357 2.755 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C(C)=O)c1)C(=O)OC 6168265 GIMLTODBTVGURH-QMTHXVAHSA-N 306.362 2.598 0 40 DFAB O=c1cc(CN2CC=C(c3ccccc3)CC2)nc2ccccn12 18050320 OFYVMGIOPVMWLE-UHFFFAOYSA-N 317.392 2.984 0 40 DFAB CCN(C)CCNC(=O)c1sc(Cc2ccccc2)nc1C 65404039 VDTJMGCXPOQTLJ-UHFFFAOYSA-N 317.458 2.724 0 40 DFAB O=C(CSc1nccc(=O)[nH]1)Nc1cccc2ccccc12 18172816 CXXXZEPZKFYELJ-UHFFFAOYSA-N 311.366 2.654 0 40 DFAB CC1(C)Cc2cccc(CN3CCC(n4cncn4)CC3)c2O1 92647804 AIIFGQAZLWCVIC-UHFFFAOYSA-N 312.417 2.829 0 40 DFAB CCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O 5672410 WBBFRWIZBGBZCS-UHFFFAOYSA-N 319.364 2.619 0 40 DFAB CCC(C)(C)NCC(=O)N1c2ccccc2NC(=O)C1(C)C 8938085 UPYLOEQCOUZJLP-UHFFFAOYSA-N 303.406 2.529 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 8923178 SBYFHZIBJXVNJS-CYBMUJFWSA-N 324.380 2.985 0 40 DFAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccncc3)ns2)s1 96009980 WXEDFIRTMTXRQJ-UHFFFAOYSA-N 317.399 2.926 0 40 DFAB O=C(Nc1nc2ccccc2s1)c1ccccc1-n1cnnn1 7767357 TXTTXDZFSBAOHG-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB CCOc1cc(S(=O)(=O)NC(C)C)ccc1Br 8132484 VXYQDGLTVWRBGB-UHFFFAOYSA-N 322.224 2.535 0 40 DFAB CC(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3C)C2)CC1 69419650 QRSRPUAQZGAUJX-KRWDZBQOSA-N 314.429 2.569 0 40 DFAB Cc1cc(N[C@@H](CO)Cc2ccccc2)nc(-c2cccnc2)n1 69445142 FGVKRTFNSITBPO-QGZVFWFLSA-N 320.396 2.863 0 40 DFAB O=C(Cc1cn2ccsc2n1)Nc1ccnn1-c1ccccc1 72303405 VOLFGFYERBFGRT-UHFFFAOYSA-N 323.381 2.763 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC(O)CC1 84393400 QDIVDMQNERFKIF-UONOGXRCSA-N 324.218 2.536 0 40 DFAB COCCCCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 71909342 DNSASKNPHDIFDH-HNNXBMFYSA-N 308.397 2.727 0 40 DFAB NC(=O)[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 95348560 PPZXNTGERUTALA-KRWDZBQOSA-N 310.397 2.573 0 40 DFAB C[C@H](Nc1ccncc1NC(=O)c1ccccn1)[C@@H]1CCCO1 95398868 IDSVPJVHPRGYMM-LRDDRELGSA-N 312.373 2.708 0 40 DFAB CCc1cnc(CNC2CCN(c3nccs3)CC2)s1 97081065 DDPFXBRAWAPLTE-UHFFFAOYSA-N 308.476 2.921 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)on3)C2)no1 72296642 BVQBAPBMZATZEZ-NSHDSACASA-N 318.377 2.683 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)on1 72295344 NCUHJMOFEBWKPU-CMPLNLGQSA-N 318.377 2.899 0 40 DFAB CN1CC[C@H](Nc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 95409175 PQKKRSHWYYRUGJ-INIZCTEOSA-N 309.369 2.582 0 40 DFAB O=C(NCCc1cccc2ccccc12)[C@@H]1CC(=O)N(C2CC2)C1 73955901 FWLOVXYSSCNTJE-MRXNPFEDSA-N 322.408 2.509 0 40 DFAB CC(=O)c1ccccc1C(=O)NCc1ccc(C(C)=O)c(C)n1 95992203 PRXFZTARVYNVJC-UHFFFAOYSA-N 310.353 2.725 0 40 DFAB COc1cccc([C@H](O)C(=O)NC[C@H](C)c2ccsc2)c1 95979448 BOSDMTJXJDYDGD-NHYWBVRUSA-N 305.399 2.710 0 40 DFAB Cn1cc([C@@](C)(O)CN[C@@H]2CCc3cc(Cl)ccc32)cn1 95968406 CQJBYOLSOWDGMF-CVEARBPZSA-N 305.809 2.558 0 40 DFAB Cc1cc(CC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)n[nH]1 89763414 QUHWRHOBGJPFQE-OAHLLOKOSA-N 319.792 2.594 0 40 DFAB O=C(NC[C@H]1SCCc2ccccc21)c1ccncc1F 89865440 WCTYJYUYRFVZGR-OAHLLOKOSA-N 302.374 2.981 0 40 DFAB O=C(N1CC[C@H](N2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 89819074 UPEXDPLVWYHAKM-WCWCZOKXSA-N 302.462 2.900 0 40 DFAB COc1ccccc1C(=O)N[C@](C)(Cc1ccccc1)C(=O)O 89904166 ZWHMASIXTPAJNN-GOSISDBHSA-N 313.353 2.511 0 40 DFAB CCCCCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1OC 21596159 XXLJWDRWOHYKTQ-UHFFFAOYSA-N 324.402 2.787 0 40 DFAB COc1cccc([C@@H](C)N2CCC(N3CCCC3=O)CC2)c1 79415066 VPVYMECUSIYQLZ-CQSZACIVSA-N 302.418 2.843 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2CCCO2)cc1 30989845 NRCZUJIROAAGTN-HYEKCJMVSA-N 302.399 2.513 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N[C@H]1C=CCCC1 188370431 LIUWEMDGSHHZBG-RWMBFGLXSA-N 312.385 2.559 0 40 DFAB C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1F 182343292 AHTFYGUHBHBPQR-AAEUAGOBSA-N 313.344 2.538 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccccc1F 224297687 HPBISBGKHNZFRJ-UHFFFAOYSA-N 303.341 2.943 0 40 DFAB O=C(NC1CC1)c1cccc(C(=O)N[C@H](C2CCC2)C2CC2)c1 573300639 NXPYNGUSFZZBNK-QGZVFWFLSA-N 312.413 2.887 0 40 DFAB Cc1cn2c(n1)[C@@H](CNCc1cnn(C(C)(C)C)c1)CCC2 89702145 MOIBBKKLZXIKCN-OAHLLOKOSA-N 301.438 2.810 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cccc(C=O)c2)C1 228910524 LGMKQYWDSJBJOT-CQSZACIVSA-N 304.390 2.993 0 40 DFAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1scnc1C)C2 80040745 YIHMPYUEPGHQSB-CQSZACIVSA-N 302.399 2.688 0 40 DFAB C[C@H]1CCCN(c2ccc3c(c2)S(=O)(=O)N=C(Cl)N3)C1 95096744 RQLVIAXVABEXHQ-VIFPVBQESA-N 313.810 2.632 0 40 DFAB CC(C)OCCCNC(=O)c1ccc(Nc2ncccn2)cc1 95476883 IDWTZSDHRFXFBZ-UHFFFAOYSA-N 314.389 2.765 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1)NC[C@@](C)(O)c1cnn(C)c1 91346312 VRADMVPFYHUMKB-MLGOLLRUSA-N 307.825 2.502 0 40 DFAB c1cncc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 96057007 FNQHSACBUWAPRU-RTBURBONSA-N 316.445 2.879 0 40 DFAB O=C(c1ccncc1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109364 GDSSJKRWWQTHIM-APWZRJJASA-N 323.396 2.798 0 40 DFAB CN1[C@H]2CCN(Cc3ccsc3)C[C@H]2C[C@@H]1Cn1cccn1 96185668 CMQGTUCOSSQKHL-ZACQAIPSSA-N 316.474 2.539 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccco1 96502058 IAVUJOZUOWVEFQ-CHWSQXEVSA-N 308.378 2.525 0 40 DFAB C[C@@H](CN1CCS(=O)(=O)[C@H](C)C1)c1cccc(Cl)c1 249462728 FYGLIVNQFQHICT-NWDGAFQWSA-N 301.839 2.562 0 40 DFAB CC[C@@H](C)N1CCC[C@@]2(CN(Cc3c(C)noc3C)C2=O)C1 585099591 RUFFXFFHIFZJJX-PXAZEXFGSA-N 305.422 2.514 0 40 DFAB O=C(N[C@@H]1C[C@@H](O)c2ccccc21)c1cnc2n1CCCCC2 585114259 WXWJILQKIPUSFF-GDBMZVCRSA-N 311.385 2.518 0 40 DFAB CC(C)c1ocnc1CN1CCc2nc[nH]c2C12CCOCC2 1550538068 QMJMRZFRLALXKY-UHFFFAOYSA-N 316.405 2.585 0 40 DFAB O=C(NCCOc1ccc(F)cc1)c1ncoc1-c1ccco1 70013293 GYBRYQIGEWUJHW-UHFFFAOYSA-N 316.288 2.883 0 40 DFAB CCCCOCCCNc1cc(C(N)=O)c2ccccc2n1 32828892 YBZBDFJFUZKFLE-UHFFFAOYSA-N 301.390 2.952 0 40 DFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@H](C)c2ccccc2)C1 36413030 MOPLSRGQVGPENY-RBSFLKMASA-N 310.463 2.902 0 40 DFAB Cc1cc(Br)cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c1 134512626 IDMWORILUOLJML-WDEREUQCSA-N 314.223 2.894 0 40 DFAB COc1cc(C(C)=O)ccc1OCc1csc(NC(C)=O)n1 40490112 MNQKOTMBBDLDOL-UHFFFAOYSA-N 320.370 2.892 0 40 DFAB O=C(NC[C@H]1CCCO1)Nc1cccc(N2CCCCC2=O)c1 193013384 ZQUISOXXZVIOAK-OAHLLOKOSA-N 317.389 2.504 0 40 DFAB CCOC(=O)CCC(=O)Nc1ccc(Br)cc1 5869133 KULHKDYDMIBVNL-UHFFFAOYSA-N 300.152 2.731 0 40 DFAB COC(=O)c1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 14467229 WRGGAHSPHUZUFT-PBWFPOADSA-N 315.369 2.807 0 40 DFAB CC(C)/C=C\[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 17250255 PZSSHNWVJGSMGY-OSKOBQJQSA-N 321.461 2.757 0 40 DFAB O=C(C1CCC1)N1CC[C@H](c2nc(Cc3cccs3)no2)C1 19343790 OIVGEPBERSQQJK-LBPRGKRZSA-N 317.414 2.838 0 40 DFAB C[C@@H](c1cnccn1)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 169618340 DDVGNJVIPXZJAC-UONOGXRCSA-N 320.437 2.869 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccncc1 7184121 SGYBTCVELMVGOP-GFCCVEGCSA-N 312.369 2.713 0 40 DFAB O=C(CSc1nccn1C1CC1)N1CCc2ccccc2C1 11891517 XPHAKFWTQAWCTC-UHFFFAOYSA-N 313.426 2.895 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](CF)C3)CC2=O)cc1 1888853717 XVUPPFFFFOSFSU-HUUCEWRRSA-N 318.392 2.556 0 40 DFAB O=c1c(=O)n(CC2CCCC2)ccn1Cc1ccc(Cl)cc1 1888876524 YNWPGYWYBDAPMM-UHFFFAOYSA-N 318.804 2.902 0 40 DFAB COc1ccccc1CCNc1cc(-n2ccnc2C)ncn1 1888913138 XVZPIPRKJNKTKD-UHFFFAOYSA-N 309.373 2.634 0 40 DFAB C[C@H](OC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)C(=O)O 2061000880 VTOIVQBWGYJQOU-XUJVJEKNSA-N 318.369 2.718 0 40 DFAB O=C(COCc1ccccc1)N1CC(n2cnc3ccccc32)C1 1775978407 RGPJWZGSVSWGFP-UHFFFAOYSA-N 321.380 2.636 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526571 QUCSEGTZDXGGBN-BXUZGUMPSA-N 310.419 2.790 0 40 DFAB Cc1cc(C(=O)NCc2cccnc2OC2CCCC2)on1 40515464 RQRQOEPCBMBZSW-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB CNC[C@@H]1CCCN(C(=O)c2ccc(Br)s2)C1 40593898 KAFRLCSBLWKPFW-VIFPVBQESA-N 317.252 2.582 0 40 DFAB COCCNc1ncnc2c1cnn2-c1ccccc1Cl 32620483 DJCRFOZXVQGLAD-UHFFFAOYSA-N 303.753 2.527 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3o2)CC1 32907710 ZPGDOCBJOLCROG-UHFFFAOYSA-N 303.362 2.885 0 40 DFAB O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)[C@@H]1CCOC1 60350979 BQQXXZQYHQSZSX-ZBFHGGJFSA-N 311.385 2.784 0 40 DFAB O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)[C@H]1CCOC1 60350981 BQQXXZQYHQSZSX-HOCLYGCPSA-N 311.385 2.784 0 40 DFAB COC(=O)COc1cc2oc(=O)c(Cl)c(C)c2cc1Cl 278244 HZPVTVDBZZIAGX-UHFFFAOYSA-N 317.124 2.960 0 40 DFAB O=C(c1ccc(I)o1)N1CCCCC1 1462938 SWMBUGICEHLRQP-UHFFFAOYSA-N 305.115 2.510 0 40 DFAB COC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 544677 BTFGRCQEMPUWNL-SNVBAGLBSA-N 317.780 2.916 0 40 DFAB COCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1 4374587 JLVIQNRNQLQFAS-UHFFFAOYSA-N 317.414 2.903 0 40 DFAB CC(C)(C(=O)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1 71821025 LMIPYAZQZSLMFM-UHFFFAOYSA-N 322.836 2.732 0 40 DFAB CC(C)(C)C1=NNC(=O)[C@H]1C(=O)CCCOc1ccccc1F 103780670 ABSZCNHKDROTTD-AWEZNQCLSA-N 320.364 2.702 0 40 DFAB O=C(OCc1nc2ccccc2o1)[C@H]1COc2ccccc2O1 8540432 SWOSZNRCCAQPQZ-OAHLLOKOSA-N 311.293 2.711 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1ccc(N2CCCC2=O)cc1 23197135 FWADNABGERMNCE-LVZFUZTISA-N 323.396 2.613 0 40 DFAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCC2)C1 23411500 SOAZRJONUCVTOS-UHFFFAOYSA-N 312.417 2.544 0 40 DFAB O=C(Nc1nccs1)N[C@H]1CCN(Cc2ccccc2)C1 42753408 GFVMEMUINVIIFK-ZDUSSCGKSA-N 302.403 2.539 0 40 DFAB NC(=O)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 42926668 YHIWJILSCXJWHL-UHFFFAOYSA-N 306.749 2.595 0 40 DFAB O=C(Nc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CCC2 1251900 KCTMBPKKKIRAEA-UHFFFAOYSA-N 320.348 2.906 0 40 DFAB Cn1cc(-c2ccccc2C(N)=O)c(=O)c2cc(Cl)ccc21 1399807 QHVPEKUGQGGDKN-UHFFFAOYSA-N 312.756 2.958 0 40 DFAB O=C(NCCCN1CCc2ccccc21)NCc1ccccc1 12545931 QEBDNYDZMGPYNQ-UHFFFAOYSA-N 309.413 2.939 0 40 DFAB COc1cccc(CNC(=O)N[C@@H](C)c2ccncc2)c1OC 56445328 OEWLOSXQGGVZAB-LBPRGKRZSA-N 315.373 2.659 0 40 DFAB CC(C)COc1cccc(CNC(=O)Nc2nncs2)c1 56518236 RDCJQZFDDXCPBL-UHFFFAOYSA-N 306.391 2.895 0 40 DFAB COCCOCC(=O)Nc1nc2cc(Cl)ccc2s1 26275547 XQWZPQRLNWFAQI-UHFFFAOYSA-N 300.767 2.551 0 40 DFAB C[C@@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(NS(C)(=O)=O)c1 108461154 VYBHYUBJEUMASB-TWJWRFFLSA-N 308.447 2.897 0 40 DFAB O=C(CN1CCc2sccc2C1)Nc1ccc(Cl)cn1 57878913 NDLIDKZRHLNDFF-UHFFFAOYSA-N 307.806 2.793 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 110620120 PRNLKXOGASSXLL-YESZJQIVSA-N 318.461 2.720 0 40 DFAB O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cccnc1 58201782 ZFVUUJBDUYFESZ-UHFFFAOYSA-N 310.357 2.962 0 40 DFAB CC1(C)CC(NC(=O)COC(=O)CC2CCCC2)CC(C)(C)N1 3318278 XEGFPLSGLUQLJC-UHFFFAOYSA-N 324.465 2.535 0 40 DFAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2[nH]nnc2c1 28835487 ZSDFYGRQOLACPJ-UHFFFAOYSA-N 313.317 2.959 0 40 DFAB COc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12822199 ORXLOJPVJIPQPS-INIZCTEOSA-N 317.772 2.969 0 40 DFAB COc1cc(OC)c(NC(=O)c2cccnc2O)cc1Cl 12997021 RWBXOZGTYHHQLV-UHFFFAOYSA-N 308.721 2.710 0 40 DFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCCCCC1 12935740 ZNZNFFKAKATLKO-AWEZNQCLSA-N 315.417 2.626 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccccc1F)C2=O 4308970 GZOQQGMOMRMTNW-DIFFPNOSSA-N 318.348 2.509 0 40 DFAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OC 6230824 RUTFZFPLGRXDHQ-UHFFFAOYSA-N 304.371 2.901 0 40 DFAB Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)nc1 5225375 PQLHNPYTUQTOMQ-UHFFFAOYSA-N 301.371 2.605 0 40 DFAB NC(=O)[C@@H](NC(=O)C1CC(c2ccccc2)C1)c1ccccc1 65512822 JGHDVTSHJHFOEL-JCYILVPMSA-N 308.381 2.523 0 40 DFAB COc1c(Cl)ccc(S(=O)(=O)N2CCCC2)c1Cl 4667122 FPBXFABSQXPKFU-UHFFFAOYSA-N 310.202 2.787 0 40 DFAB CC(=O)c1c(C)[nH]c(-c2csc(N3CCN(C)CC3)n2)c1C 6671495 SWMQZDKRDZWTOM-UHFFFAOYSA-N 318.446 2.709 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)Cc1cccc(F)c1 7492370 AOPYSXDFPULEKQ-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1cccc(F)c1)C2=O 7578690 DHEPMENINCIZFY-DIFFPNOSSA-N 318.348 2.509 0 40 DFAB COCc1nc2ccccc2n1Cc1noc(C(F)(F)F)n1 16838162 DCYSRDGQXDYXEP-UHFFFAOYSA-N 312.251 2.633 0 40 DFAB C[C@H]1CN(CC2CCN(C(=O)CC(C)(C)C)CC2)C[C@@H](C)O1 69452701 QVFMSTJCILGXCS-GASCZTMLSA-N 310.482 2.770 0 40 DFAB C[C@@H](C(=O)N1CCCC1)N1CCO[C@H](c2ccccc2Cl)C1 69741410 LJMHGYHIDLXHAP-BBRMVZONSA-N 322.836 2.724 0 40 DFAB C[C@H](c1cc(F)ccc1F)N(C)CCCN1CCN(C)CC1 72308463 HUWWNLRELSNFMS-CQSZACIVSA-N 311.420 2.595 0 40 DFAB COc1ccc(-c2ccc(=O)n(CN3CCCCCC3)n2)cc1 72402187 CCZGLXSNXCOULE-UHFFFAOYSA-N 313.401 2.752 0 40 DFAB Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccccc2)no1 23126078 AFUGHJHNYOLITG-UHFFFAOYSA-N 321.336 2.971 0 40 DFAB CCN1CCC(NC[C@@H](c2cccs2)N2CCCC2)CC1 22935295 MBTYWVBAWTXARV-INIZCTEOSA-N 307.507 2.959 0 40 DFAB CCOC(=O)Nc1ccc(Nc2cc(C)nc3ncnn23)cc1 72270854 ARUWCELYLZDRCI-UHFFFAOYSA-N 312.333 2.745 0 40 DFAB CN(C)CCN(Cc1ccncc1)Cc1ccc(F)cc1F 22913804 SBVFYDIEVXZGGO-UHFFFAOYSA-N 305.372 2.924 0 40 DFAB CCCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84746648 WFTFAKVTQNKKGM-WCQYABFASA-N 307.394 2.816 0 40 DFAB CCC1(CC)CN(C(=O)CCS(C)(=O)=O)c2ccccc21 95434892 IDSXNZFPSWWZTM-UHFFFAOYSA-N 309.431 2.526 0 40 DFAB CSCc1cc(NC(=O)N2CC[C@@H](O)C2)ccc1Cl 88389561 YMODLGBQHCSPFB-LLVKDONJSA-N 300.811 2.802 0 40 DFAB O=C(NC1CC1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 95993085 BPIXUHXPNRJUKP-CYBMUJFWSA-N 311.389 2.523 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)C1(O)CCSCC1 95979430 KIZRCUSTPIGENI-HNNXBMFYSA-N 307.459 2.690 0 40 DFAB NC[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 95971558 NFRIUXQPXPHMQU-CQSZACIVSA-N 304.409 2.835 0 40 DFAB Cc1nc(N2CCN(c3ncc(Cl)cn3)CC2)sc1C 95973752 ZXGMEZZHORKOJN-UHFFFAOYSA-N 309.826 2.530 0 40 DFAB C[C@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)C1CCC1 95943352 FGUCJNPNMFMQHY-LSDHHAIUSA-N 316.449 2.658 0 40 DFAB CCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)[nH]n1 89282740 BTLYPBKDFOUDNV-CYBMUJFWSA-N 319.430 2.855 0 40 DFAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1cccc(Cl)c1 75107244 UXGMFVVZJWXGNT-AWEZNQCLSA-N 318.808 2.824 0 40 DFAB O=C(CN1CCCOC1=O)Nc1ccc(Cl)c(Cl)c1 75108619 XWEQPHPCFULGER-UHFFFAOYSA-N 303.145 2.774 0 40 DFAB FC(F)c1ncnc(NC2CC2)c1I 217586195 RHDKVKKUCWCNDX-UHFFFAOYSA-N 311.073 2.593 0 40 DFAB O=C(Nc1cccc2ncccc12)C1(n2cnnn2)CCCCC1 79483479 PJNFLDJUDSDXAR-UHFFFAOYSA-N 322.372 2.519 0 40 DFAB CCCCc1ccc(N2C[C@H](C(=O)NCCC)CC2=O)cc1 35655447 SNRMHULAJYPCQZ-OAHLLOKOSA-N 302.418 2.908 0 40 DFAB CCn1nc(C)c(CNC(=O)NCc2cc(C(C)C)no2)c1C 79349532 GKIHSDDQHQHTHO-UHFFFAOYSA-N 319.409 2.631 0 40 DFAB CCN1CCN[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 72352878 AAHAZLVSWZWCBY-HNNXBMFYSA-N 300.427 2.778 0 40 DFAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCCCn1ccnc1 79036699 XOOAMIQYRMJCOB-UHFFFAOYSA-N 321.808 2.900 0 40 DFAB CCOC(=O)c1ccccc1Nc1cc(N)nc(SC)n1 49467420 XPWFTHJTCWWURR-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB CC(C)(C)[C@@H](CO)NC(=O)Nc1cccc(OC(F)F)c1 195557310 YQFOEEJXAZPYDO-LLVKDONJSA-N 302.321 2.817 0 40 DFAB CCNC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1 195575647 XAXPGMQYXFEYKH-UHFFFAOYSA-N 321.384 2.629 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCc2sc(-n3cccc3)nc21 223810860 BECHDMCIYKOTPF-GFCCVEGCSA-N 313.382 2.873 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C 222902214 VTOVHPJAQXRGMG-GFCCVEGCSA-N 308.397 2.868 0 40 DFAB CC(C)(C)NC(=O)CCN1CCC[C@H]1C[C@@H](O)c1ccccc1 195531562 NUQRSVQKGQBRCM-DLBZAZTESA-N 318.461 2.879 0 40 DFAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222832819 XZKWEUQYFORDTQ-GFCCVEGCSA-N 310.825 2.849 0 40 DFAB COc1cnc(O[C@H]2CCN(Cc3cccc(Cl)c3)C2)nc1 1203803049 OFVXJSYSGOYKOG-AWEZNQCLSA-N 319.792 2.792 0 40 DFAB COC(=O)c1ccc(NC(=O)N(C)CC(F)(F)F)cc1C 191939349 KYLKELWKAILVOK-UHFFFAOYSA-N 304.268 2.808 0 40 DFAB COc1ccccc1[C@@]1(C)NC(=O)N(Cc2cccs2)C1=O 195576556 SGQJOLBRKUUCEO-MRXNPFEDSA-N 316.382 2.724 0 40 DFAB COc1cccc([C@H](O)CSc2nnc(C)n2C2CC2)c1 96406744 PPRFSOTVLYTKTE-CQSZACIVSA-N 305.403 2.756 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1C)C2 96056823 LKEMQJNJEFRXHR-WBVHZDCISA-N 307.390 2.636 0 40 DFAB c1ccc(O[C@@H]2COC3(CCN(Cc4ccoc4)CC3)C2)nc1 96106955 BBTGITVNXGQZMJ-INIZCTEOSA-N 314.385 2.877 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)/C=C/c2cccnc2)o1 96423244 LNDLRCKELDMTHM-RZIFZGNASA-N 300.358 2.754 0 40 DFAB O=C(OCCn1cncn1)[C@H]1C[C@H]1c1cccc2ccccc12 96404838 RGTKRQSMIBXIOP-IRXDYDNUSA-N 307.353 2.778 0 40 DFAB CO[C@]1(CNC(=O)c2cc(-c3ccccc3)on2)CCSC1 96097601 XYELMRXRKWLCQA-INIZCTEOSA-N 318.398 2.594 0 40 DFAB Cc1ncc(/C=C/C(=O)N(CC(=O)O)Cc2ccccc2)s1 97228620 APVZEUWIHDNPCZ-BQYQJAHWSA-N 316.382 2.578 0 40 DFAB COc1ccc2c(CC(=O)Oc3c(C)nn(C)c3C)coc2c1 96424014 UKXQOWSJAPSPAM-UHFFFAOYSA-N 314.341 2.940 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(C3CC3)n2)cc1OCC 95534589 HCHJUJAROSWZKJ-CQSZACIVSA-N 302.378 2.528 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)CC(F)F 96432637 MHBXYPVSHFBYRA-UHFFFAOYSA-N 305.328 2.806 0 40 DFAB CC(C)NC(=O)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215853 LUFQOBXXBBIJSZ-MRXNPFEDSA-N 322.478 2.549 0 40 DFAB CN1C(=O)C2(CCN(Cc3cccnc3)CC2)[C@@H]1c1ccccc1 96100253 YXAMADNAAIGTLX-SFHVURJKSA-N 321.424 2.877 0 40 DFAB COc1cccc(-c2n[nH]cc2I)c1 96527395 LGFVLJNOCIKBFV-UHFFFAOYSA-N 300.099 2.690 0 40 DFAB CCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257324794 WQFRMAJJCYASDB-MRXNPFEDSA-N 320.408 2.822 0 40 DFAB Fc1ccc(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)nc1 257277783 NZIYWSHDMNUXQP-CYBMUJFWSA-N 311.364 2.872 0 40 DFAB Cc1c[nH]c(-c2cnc([C@H]3CCCN3Cc3ccccn3)cn2)n1 257294975 QWMNJKHRLFCMER-QGZVFWFLSA-N 320.400 2.907 0 40 DFAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC(CO)CC1 257247629 IZVMTPBPYOUMAK-UHFFFAOYSA-N 310.397 2.517 0 40 DFAB Cc1nc(C(C)(C)NC(=O)c2cccc(C(=O)O)n2)sc1C 262463873 YMURSWAWJULGCA-UHFFFAOYSA-N 319.386 2.518 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)c(C)o1 96096404 AXNKIUQXEHTNCE-KRWDZBQOSA-N 312.369 2.852 0 40 DFAB Cc1nc(NC(=O)CNC(=O)OCc2ccccc2)sc1C 67202321 GIRGHMHRGKOELH-UHFFFAOYSA-N 319.386 2.625 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2csc(COC)n2)no1 72299838 ANDVLKQREYUDRM-LLVKDONJSA-N 308.407 2.572 0 40 DFAB COc1ccc(NC(=O)COc2nncc3ccccc23)cc1 49873665 OYESKZXYBBKRDR-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 55260678 VHOFUTGCFVZIBK-LLVKDONJSA-N 307.419 2.608 0 40 DFAB C[C@@H](NCCOc1ccc(Br)cc1)c1cnccn1 89516693 VVLYIYKSQXXSEQ-LLVKDONJSA-N 322.206 2.969 0 40 DFAB Cc1cccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1 97033654 DKXNCXPVAFTQFE-QGZVFWFLSA-N 303.427 2.871 0 40 DFAB COc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1 301691270 NQTNYOWUURJMKX-UHFFFAOYSA-N 316.430 2.751 0 40 DFAB CCc1ncnc(NCc2ccnc(N3CCCC3)c2)c1F 270935275 LOLKXJFPKCGLMP-UHFFFAOYSA-N 301.369 2.785 0 40 DFAB O[C@H]1CCCN(Cc2ncccc2F)[C@H]1Cc1ccccc1 1615190927 JFJUYHYPNHQZML-ROUUACIJSA-N 300.377 2.789 0 40 DFAB CCCCS(=O)(=O)Nc1ccn(Cc2ccc(C)cc2)n1 14222544 RMWICKBUZDWPPE-UHFFFAOYSA-N 307.419 2.782 0 40 DFAB CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C 14291663 KGNHNDBLQIYJFU-UHFFFAOYSA-N 315.325 2.686 0 40 DFAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]12 17988124 RBSLAGQYLSMPCD-IYYTYJHQSA-N 319.744 2.740 0 40 DFAB CCCOC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 5728027 MCAXYQSQYRLGSX-UHFFFAOYSA-N 310.147 2.857 0 40 DFAB Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCC1CCNCC1 155638823 XPXICPJNLOYQRP-AWEZNQCLSA-N 302.418 2.889 0 40 DFAB COc1cc(C(=O)Sc2nccc(C)n2)cc(OC)c1OC 5943231 QRVBRQZWVBUZSB-UHFFFAOYSA-N 320.370 2.743 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1 7213297 ZUFYRIQRXPRBNY-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1 5611394 LOOOCYKQZHQPKP-OAHLLOKOSA-N 314.410 2.757 0 40 DFAB O=C(CSC1CCCC1)N1CCC[C@H](Oc2ncccn2)C1 575604634 BACMMFUDUQINTO-ZDUSSCGKSA-N 321.446 2.522 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCCCO2)CC1 1889065336 HOGURPNDLIHGDU-HNNXBMFYSA-N 324.856 2.600 0 40 DFAB COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O 104825 UKWAGVPNFORRSZ-UHFFFAOYSA-N 312.119 2.940 0 40 DFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 4320899 HDDBFQSIRRFNEM-HNNXBMFYSA-N 318.373 2.634 0 40 DFAB COCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4694476 AIISEUQTEFWFMZ-UHFFFAOYSA-N 307.419 2.839 0 40 DFAB COc1c(C)cc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1C 44444043 VCWOEAMPBRDLCX-ZDUSSCGKSA-N 323.414 2.815 0 40 DFAB Cn1cc(-c2cc(CN=c3[nH]c4ccccc4o3)ccn2)cn1 2298233205 PNZQRDQPDBHVSY-UHFFFAOYSA-N 305.341 2.657 0 40 DFAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 20735487 VTXWZCNDRLKNDI-SFHVURJKSA-N 324.384 2.892 0 40 DFAB CC(C)(NC(=O)C1[C@@H]2CCC[C@@H]12)c1ccc2c(c1)OCCO2 101477932 OKAQGHHRBZWYTJ-CHWSQXEVSA-N 301.386 2.855 0 40 DFAB CN(C)C(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45418 OIBNJKYCNNROGB-NSHDSACASA-N 310.659 2.599 0 40 DFAB COc1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 30142 HNKCSAZUQLDGLC-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB biogenic Cc1ccc2c(c1)[C@@]1(CC(c3ccc(F)c(C)c3)=NN1)C(=O)N2 132543 WETVBFHWEBQEJX-SFHVURJKSA-N 309.344 2.988 0 40 DFAB COc1cccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 385910 DNNAWPNIEHVNAU-CQSZACIVSA-N 312.369 2.793 0 40 DFAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cn3)CC[C@@]1(C)C(=O)O2 468000 YQRQKJAIAVDBCC-LSDHHAIUSA-N 308.765 2.795 0 40 DFAB O=C1O[C@H](C(Cl)(Cl)Cl)O[C@@H]1C(Cl)(Cl)Cl 1670663 MURYNVIRLILSCR-BIZFKFMOSA-N 322.786 2.995 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2CCCC[C@@H]21 78953233 IAYNWXKRTDKFGI-NUTKFTJISA-N 318.465 2.942 0 40 DFAB COC[C@](C)(NC(=O)c1cc(C(C)C)n(C)n1)c1ccccc1 79737805 XAPMELJSGCUBEZ-SFHVURJKSA-N 315.417 2.835 0 40 DFAB Cc1ccc2c(CCNC(=O)[C@H]3CCc4cn[nH]c4C3)c[nH]c2c1 79866120 VNDGEFVKIWLOAM-ZDUSSCGKSA-N 322.412 2.663 0 40 DFAB O=C(Nc1cccc2c1OCCO2)C1=NO[C@@H](c2ccccc2)C1 53136737 MHSIJHDNMQHNMX-MRXNPFEDSA-N 324.336 2.914 0 40 DFAB CCN1CC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C[C@@H]1C 104135361 REFZWWCXCXTUFF-HSYXRWIHSA-N 322.474 2.792 0 40 DFAB COc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 10149097 RKBSVZGDSSZOJR-UHFFFAOYSA-N 324.336 2.601 0 40 DFAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8556178 IGFIFSYEKPUPIM-GFCCVEGCSA-N 304.390 2.580 0 40 DFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 982009 NRZDKTXLKURYRQ-ZDIKFAODSA-N 305.355 2.593 0 40 DFAB O=C(NCc1cn2ccccc2n1)N1CC[C@H]1c1ccccc1 43477055 XTTFYINULMCOOF-INIZCTEOSA-N 306.369 2.991 0 40 DFAB COc1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cn1 44366113 NKOPGEVNZVWUIO-UHFFFAOYSA-N 300.333 2.577 0 40 DFAB Cc1ccccc1Nc1nnc(SCC(=O)N(C)C)s1 3266706 NROSZHGGTAZHDR-UHFFFAOYSA-N 308.432 2.770 0 40 DFAB CCOC(=O)CCN(CC1CC1)C(=O)c1cccc(COC)c1 58296134 SRFXUZJIPGKZJJ-UHFFFAOYSA-N 319.401 2.638 0 40 DFAB CCCCCN[C@@H](CC(=O)Nc1ccc(C)cc1C)C(=O)O 2107488 WMYLTIPRNUBBPI-HNNXBMFYSA-N 306.406 2.865 0 40 DFAB Cc1ncc2c(n1)CCN([C@H](C)C(=O)c1c[nH]c3ccccc13)C2 48261852 BADFJFNPTCGPAT-GFCCVEGCSA-N 320.396 2.896 0 40 DFAB O=C(CCc1cccnc1)N1CCC[C@@H](c2nccs2)C1 109052654 UVHXXUPRXCROPP-CQSZACIVSA-N 301.415 2.877 0 40 DFAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 12763802 JHPSCGHKWMLCLK-UHFFFAOYSA-N 316.332 2.721 0 40 DFAB O=C(Nc1nncs1)c1ccc(OCc2ccncc2)cc1 29783799 SVPYPVPWNNDCTB-UHFFFAOYSA-N 312.354 2.764 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1 48440694 NWIWMCWYPCDHQT-UHFFFAOYSA-N 311.384 2.810 0 40 DFAB Cc1nc(C(=O)N2CCN(c3ccccc3F)CC2)cs1 62633679 WDXFZOPQYFUJQN-UHFFFAOYSA-N 305.378 2.553 0 40 DFAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccccc1 13111396 PBHQJIGZLPAKKZ-UHFFFAOYSA-N 311.370 2.598 0 40 DFAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)NC1CC1 71186126 GRMKGEUFIFQJJB-UHFFFAOYSA-N 306.316 2.802 0 40 DFAB c1cncc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c1 13691975 DXJOVKKGRYUNOM-UHFFFAOYSA-N 323.337 2.644 0 40 DFAB COc1ccc(-c2nc(CNC(=O)CC3CCCC3)no2)cc1 64814826 KWTMYPXDEXFSAH-UHFFFAOYSA-N 315.373 2.942 0 40 DFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCN(C)C 13731386 NCZSCBIYTIXRDK-UHFFFAOYSA-N 321.421 2.939 0 40 DFAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCCC1 6178646 NZLAHMUZWSPNDG-LLVKDONJSA-N 302.403 2.575 0 40 DFAB O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccc1 306136289 POYRUPBRYPGQPQ-OALUTQOASA-N 321.424 2.779 0 40 DFAB Cn1c(SC[C@@H]2COc3ccccc3O2)nnc1C1CC1 14123220 NUGHASMGAKMWKV-NSHDSACASA-N 303.387 2.625 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 14210725 IDSAIQXOTUINRS-SNVBAGLBSA-N 323.345 2.594 0 40 DFAB COc1ccc(Cl)cc1CN1C(=O)N[C@H](CC(C)C)C1=O 14275743 JXWDWQOCCIJNMC-GFCCVEGCSA-N 310.781 2.815 0 40 DFAB C[C@H]1CCCN(C[C@H](O)COc2ccc(F)cc2Cl)C1 4979931 ZAUYBPRUCGNWIN-AAEUAGOBSA-N 301.789 2.951 0 40 DFAB CCc1ccc2[nH]c3c(c(=O)c2c1)CN(C(=O)C(F)(F)F)CC3 67172603 ALOUWTPCZGTDQI-UHFFFAOYSA-N 324.302 2.538 0 40 DFAB Cc1nc(C)c(C(=O)OC2CCN(CC(F)F)CC2)s1 97079900 WGKXMOSUAMMYAB-UHFFFAOYSA-N 304.362 2.646 0 40 DFAB COc1cccc(CN(C)CC(=O)N[C@@H]2CCCC[C@H]2C)c1 7458435 DIAJBGWGNQLBKT-RHSMWYFYSA-N 304.434 2.822 0 40 DFAB O=C(OCCn1c(=O)oc2ccccc21)[C@H]1C[C@H]1c1ccccc1 68153156 NZFNAKAKAVNLHA-GJZGRUSLSA-N 323.348 2.941 0 40 DFAB CCn1nnnc1S[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 16460407 SZENIYXIUXVUDJ-SNVBAGLBSA-N 315.402 2.846 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2noc(C(C)(C)C)n2)c1 71875912 UQLIFKOECHYKTF-ZDUSSCGKSA-N 303.410 2.537 0 40 DFAB Fc1cccc(Cl)c1CCN1CCC[C@@H]1Cn1cncn1 71875167 OJIWSROSXSSPKS-GFCCVEGCSA-N 308.788 2.778 0 40 DFAB CC(=O)c1ccc(OCc2nc3sccc3c(=O)[nH]2)cc1 69144607 IBZXZZKTEGPMLQ-UHFFFAOYSA-N 300.339 2.766 0 40 DFAB CCN(CC(C)(C)O)C(=O)c1ccc(F)cc1Br 81746001 YQJKWBHTFHCSBB-UHFFFAOYSA-N 318.186 2.821 0 40 DFAB C/C(=C\c1ccccc1)CNCC1CCN(C[C@H](C)O)CC1 69351388 LVSNHZBXVIYUIM-MOKGIYGOSA-N 302.462 2.772 0 40 DFAB Cc1cccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)c1 21538536 FSKKIWGOYYGOKU-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB Cc1cnc([C@H](C)CNC(=O)NCCc2ccncc2C)s1 96502892 VTIJGKVEXZBMIB-GFCCVEGCSA-N 318.446 2.800 0 40 DFAB Cc1csc(-c2cccc(NC(=O)[C@H]3CC(=O)N(C)C3)c2)n1 69697545 PYYDAPOTDZGQPZ-LBPRGKRZSA-N 315.398 2.535 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCc2nc(C(C)(C)C)cs2)c1 69698706 YEYNUGHWHYJOIQ-UHFFFAOYSA-N 319.430 2.944 0 40 DFAB O=C([C@H]1CCc2ccccc21)N1CCCC[C@@H]1Cn1cccn1 69742827 ORYVMKNAHZHRHR-AEFFLSMTSA-N 309.413 2.994 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)N1 69819400 UEZJDPODXHNROC-GOEBONIOSA-N 320.820 2.966 0 40 DFAB CC(C)Cc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc1 69811028 ZSWXGAIWYCLPSY-FUHWJXTLSA-N 314.429 2.731 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)cc1 95377445 BTSODUZUIPBYPQ-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB c1ccc(N2CC[C@H](NCc3ccccc3-n3cccn3)C2)nc1 95990166 LCLRBMJREJYSDM-KRWDZBQOSA-N 319.412 2.636 0 40 DFAB O=C(COCCc1ccccc1)Nc1cc(C(=O)O)ccc1F 95989561 HWOZQYHRPFXAKN-UHFFFAOYSA-N 317.316 2.722 0 40 DFAB CC(C)c1ccc(C2(C(=O)NS(C)(=O)=O)CCCC2)cc1 95953705 DALVZCDMJQVPEL-UHFFFAOYSA-N 309.431 2.698 0 40 DFAB CCn1cc(NC(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)ccc1=O 89948148 UCUHWPHBRVXIHN-KGLIPLIRSA-N 321.421 2.583 0 40 DFAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C 408996782 ANZGXEQAWXICII-YDHLFZDLSA-N 304.390 2.858 0 40 DFAB COc1cc(OC)cc(OCC(=O)NCC2CCCCC2)c1 123161229 QJCCXICTRYMDIR-UHFFFAOYSA-N 307.390 2.779 0 40 DFAB CN(CCc1ccncc1)C(=O)c1cc([C@H]2CCCN2C)ccn1 72365738 QJFJOGGJNSCQTP-GOSISDBHSA-N 324.428 2.558 0 40 DFAB CCc1c(Cl)nc(C)nc1NCC1(N(C)C)CCOCC1 78259942 YNBNTQPFQHSJQA-UHFFFAOYSA-N 312.845 2.524 0 40 DFAB O=C(c1ccncc1Cl)N1CCCCC[C@@H]1c1ncon1 189579877 KMXGDMLLZDSHTC-GFCCVEGCSA-N 306.753 2.876 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1cccc(F)c1 72241876 OEKAGKTYIFWZSF-NVXWUHKLSA-N 318.392 2.794 0 40 DFAB C[C@@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@@H]1CCCO1 78611657 FGLDDGXNGRZWDV-ABAIWWIYSA-N 318.352 2.700 0 40 DFAB Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 72411118 NIOBSVOVDBNEDM-JTQLQIEISA-N 312.801 2.860 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 72238288 JJKDTBRDBVKKJQ-SJLPKXTDSA-N 314.429 2.917 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1CCC(Nc2ccccc2)CC1 78915337 OHSIMLLOXMWRKS-UHFFFAOYSA-N 312.417 2.754 0 40 DFAB O=C(O)[C@@H]1CS[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 36612330 OFNXIAXOKQRXIE-CMPLNLGQSA-N 309.778 2.518 0 40 DFAB COc1ccc(C2(CNC(=O)OC(C)(C)C)CCNCC2)cc1 79034480 OZWIBIAUXLZPTC-UHFFFAOYSA-N 320.433 2.841 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccccc2Br)[C@@H]1CN 70176630 PPDGWHQKEQHGFJ-ZWNOBZJWSA-N 311.223 2.649 0 40 DFAB CC[C@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 195554805 XBGJIPXVRJQWHW-OCCSQVGLSA-N 310.825 2.695 0 40 DFAB COCC[C@H](NS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 225453477 IHBALQXQZBSUGJ-NSHDSACASA-N 312.218 2.620 0 40 DFAB COC(=O)c1ccc(OCC(=O)N(C(C)C)C(C)C)c(OC)c1 44865925 IEVXCGUGXYZFER-UHFFFAOYSA-N 323.389 2.506 0 40 DFAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CC 225280258 HHTOBONUFLMCKT-OAHLLOKOSA-N 308.397 2.869 0 40 DFAB C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 194159315 GKTIFIBDNJWUFZ-CQSZACIVSA-N 318.442 2.951 0 40 DFAB CCCCNC(=O)COc1nn(-c2ccccc2)cc1Cl 227152066 CTWKGQRUJVZTDU-UHFFFAOYSA-N 307.781 2.821 0 40 DFAB C[C@@](C(=O)N1CCc2cnccc21)(c1ccccc1)N1CCCC1 195567853 AUXCIDDIEXZEQF-FQEVSTJZSA-N 321.424 2.982 0 40 DFAB CC(C)N1CC[C@H](N[C@@H](C)c2ccc(F)cc2N(C)C)C1=O 89728987 KOZSCQNSIRGYEW-WFASDCNBSA-N 307.413 2.552 0 40 DFAB CC1(C)CC(NC(=O)CCC(=O)OC(C)(C)C)CC(C)(C)N1 192884204 NFBUWGHAMDOHPW-UHFFFAOYSA-N 312.454 2.534 0 40 DFAB NC(=O)c1csc(NC(=O)CCc2ccc(Cl)s2)n1 96411635 CEXYUUVXBIQBJQ-UHFFFAOYSA-N 315.807 2.528 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccsc2)C1 96454708 ZXAZDSNACNTXHF-LBPRGKRZSA-N 310.419 2.830 0 40 DFAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)NC1CC1 96407773 VMTXXJDVSRNAKY-INIZCTEOSA-N 317.433 2.551 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)NCc3ccccc3)CC(=O)N2C)cc1 96181382 AZGQSTHAMWMAOX-MJGOQNOKSA-N 322.408 2.831 0 40 DFAB C[C@H](CN[C@H](C)Cn1cncn1)c1cccc(Br)c1 96493275 YPSJAAZQLMNSOC-VXGBXAGGSA-N 323.238 2.822 0 40 DFAB CC[C@@](Br)(C(=O)c1cccc(F)c1)S(C)(=O)=O 96518684 OSAOYLOCKLKDKE-NSHDSACASA-N 323.183 2.554 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(C[C@H](C(C)C)CO2)C1 96073367 FULVSQCDNOPWIN-WMLDXEAASA-N 306.406 2.959 0 40 DFAB CN1CC[C@H](C(=O)Nc2sccc2C(=O)C(C)(C)C)CC1=O 96425197 RJMYNLMZVOAKTP-JTQLQIEISA-N 322.430 2.784 0 40 DFAB Cn1cc(CNC[C@@H](c2ccc(Cl)cc2)n2cccn2)cn1 96459577 HFSYRGZFKKISHW-INIZCTEOSA-N 315.808 2.649 0 40 DFAB CN(C)C(=O)CCOC(=O)c1cc(C2CC2)nc2ccccc12 96459775 WZWCPPQYSHDYHT-UHFFFAOYSA-N 312.369 2.747 0 40 DFAB CO[C@@H]1CCCCC[C@H]1NC(=O)N(CC(C)(C)O)C(C)C 96483816 UQUUEGJZXMMBOR-ZIAGYGMSSA-N 300.443 2.525 0 40 DFAB O=c1ccc2c(n1CC1CC1)CC[C@@H](NCc1cccs1)C2 96189726 WASSQSYBSAHBQU-OAHLLOKOSA-N 314.454 2.967 0 40 DFAB Cn1nc(CNC(=O)Cc2ccccc2Cl)c2c1CCCC2 96099123 XIGONIAAXYPYMV-UHFFFAOYSA-N 317.820 2.811 0 40 DFAB CO[C@H]1CSC2(C1)CN(Cc1ccc3ccccc3n1)C2 247977372 WOWXJCOQVPHKLZ-OAHLLOKOSA-N 300.427 2.941 0 40 DFAB C[S@](=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccccc1 245289895 FYEFZITVAXOHCL-TVYYEHBDSA-N 317.410 2.619 0 40 DFAB CNc1nc([C@@H]2CCCN2C(=O)c2ccccn2)cn2cccc12 257242850 IELSLVMSAYBTNO-HNNXBMFYSA-N 321.384 2.748 0 40 DFAB CS[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 252500252 SQCYHTPLJDJJRO-ZWNOBZJWSA-N 300.855 2.810 0 40 DFAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccsc1 253396169 DFRJSRXKKJADQL-AWEZNQCLSA-N 322.455 2.861 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cn1 257294256 QTGNXPSKRUHOBG-GOSISDBHSA-N 309.413 2.809 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@H](c2ccncn2)C1 257252264 JUDZHHPRNBAABJ-HNNXBMFYSA-N 313.376 2.955 0 40 DFAB Cc1csc(CNC(=O)N[C@H](C)CCc2ccc(O)cc2)n1 44967408 WOXXMYSVTOCFLP-LLVKDONJSA-N 319.430 2.978 0 40 DFAB Cc1cc(Br)ccc1NC(=O)c1cc(O)ncn1 244986107 JGLLBQRGNBKNFG-UHFFFAOYSA-N 308.135 2.505 0 40 DFAB COC(=O)NCCC(=O)N1CC[C@@H](C)Sc2ccccc21 72271414 AJZYZHUPRSXBNB-LLVKDONJSA-N 308.403 2.650 0 40 DFAB C[C@@H](NC(=O)CCc1cccc(Cl)c1)C(=O)NC1CCCC1 58246053 SRKRBHXGRCYDLX-GFCCVEGCSA-N 322.836 2.836 0 40 DFAB c1cnc2ncnc(N3CCC[C@@H](COc4ccncc4)C3)c2c1 1776008329 BCKXFKCSACXQNR-CQSZACIVSA-N 321.384 2.715 0 40 DFAB CC(C)CN(CC(C)C)C(=O)CCS(=O)(=O)C1CCCC1 97392152 GUNXZKPNWPICES-UHFFFAOYSA-N 317.495 2.875 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccn[nH]2)C1 193944330 PNUNZNVLFUMPIW-CYBMUJFWSA-N 308.385 2.840 0 40 DFAB C[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cccnc2)n[nH]1 12114720 BQTSPOFQQMCYEK-CYBMUJFWSA-N 321.384 2.677 0 40 DFAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1cccs1 12180714 LUFKPFUJMNTVKK-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB Nc1ncccc1C(=O)OCc1coc(-c2cccs2)n1 12922432 YQMUDJLLDRIYPP-UHFFFAOYSA-N 301.327 2.737 0 40 DFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1 10082697 TZUASAFJJGOISH-LBPRGKRZSA-N 307.825 2.970 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1cccs1 17842029 WJXGIUPYXBEXGB-NSHDSACASA-N 323.439 2.951 0 40 DFAB COCCCNC(=S)Nc1cc(Cl)c(OC)cc1OC 2776705 XATMJAYCCIWHLJ-UHFFFAOYSA-N 318.826 2.680 0 40 DFAB CCn1nccc1CNC(=O)c1cccc(Br)c1 28230451 RDKOEQCEHRZZLM-UHFFFAOYSA-N 308.179 2.596 0 40 DFAB O=C(c1ccns1)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224237 MUAQYENSVGXJFF-KRWDZBQOSA-N 319.474 2.871 0 40 DFAB O=C(NCCCc1cnoc1)c1cccc(Br)c1 253400789 LWYWZRHUTNYLAB-UHFFFAOYSA-N 309.163 2.800 0 40 DFAB CSc1ccc([C@H](O)CNc2ncnc3ncccc23)cc1 1775970220 HQRDJHATGYHIPF-CQSZACIVSA-N 312.398 2.892 0 40 DFAB CNC(=O)C1(NC(=O)/C=C/c2ccccc2Cl)CCCCC1 40146296 OAQALGWDNROBDW-MDZDMXLPSA-N 320.820 2.918 0 40 DFAB O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1 29662 ORXJMMUTXRTWHW-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB O=c1c2sccc2ncn1Cc1noc(-c2ccsc2)n1 31789161 PUANSHNIDRVPLP-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)NCc1cc(F)cc(F)c1 51356490 SBXDIXILICLCCR-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc2cnccc12 51452501 WMIJALAGBRTOAY-NSHDSACASA-N 309.325 2.585 0 40 DFAB O=C(O)C[C@H]1CN(C(=O)Cc2cccs2)c2ccccc21 32185999 CRUOTXNCUMLZOM-NSHDSACASA-N 301.367 2.896 0 40 DFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCCC1 21319814 PQSDKQMMCRTKRW-UHFFFAOYSA-N 301.434 2.876 0 40 DFAB CCc1[nH]ncc1C(=O)NCc1ccc(OC(F)(F)F)cc1 32913310 WXIWZAWMNKTJAE-UHFFFAOYSA-N 313.279 2.801 0 40 DFAB CCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2CC)n1 83830476 MMTFCZYKGUZXBA-IHRRRGAJSA-N 322.453 2.566 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccccc1OCC1CC1 76070600 KSQVPTDREAGSNZ-ZFWWWQNUSA-N 304.390 2.758 0 40 DFAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NC(C)(C)C)cc2C1 3382320 QYUQVLDYNFECCT-SNVBAGLBSA-N 309.431 2.944 0 40 DFAB COc1ccc(-c2csc(NC(=O)CCC(=O)O)n2)cc1 2746052 DQAGZSIZEMPAEZ-UHFFFAOYSA-N 306.343 2.622 0 40 DFAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(F)cc2)cc1 6296382 CMSBBLSUKCXZQW-UHFFFAOYSA-N 316.284 2.791 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccccc2F)sc1C(=O)O 37225799 XHYPKVBTWFVPRV-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 7051760 LCLBGSWJHHHYAA-UHFFFAOYSA-N 321.402 2.692 0 40 DFAB C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Oc2ccccc2)cc1 69704525 YNDMFMXTDANCSV-SUMWQHHRSA-N 324.380 2.935 0 40 DFAB CC(C)Sc1ccc([C@H](C)NC(=O)CNC(=O)C2CC2)cc1 69770761 XBCXTDRNMKOCFF-LBPRGKRZSA-N 320.458 2.891 0 40 DFAB c1cnn(-c2ccc(CNc3ncnc4sccc34)cn2)c1 23075081 ZMBJHJUTWREOGG-UHFFFAOYSA-N 308.370 2.884 0 40 DFAB COc1ccccc1C(=O)NC[C@@H](c1cccs1)N(C)C 23105560 SZWJPODDMROBMA-ZDUSSCGKSA-N 304.415 2.789 0 40 DFAB CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 914883 DCUGHGZEFCXKRQ-JTQLQIEISA-N 320.414 2.534 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)n1 1271944 CTBWVPPFKVSGHQ-NSHDSACASA-N 311.407 2.647 0 40 DFAB COc1ccccc1[C@H]1CCCN1C(=O)NC1CCOCC1 69777491 FDAPUBMXZSUYQW-OAHLLOKOSA-N 304.390 2.721 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)CCc1ncc(-c2ccccc2)o1 24804403 VJMXUDMVXZLNIH-AWEZNQCLSA-N 324.384 2.676 0 40 DFAB CN(Cc1ccc(F)cc1F)c1cc(-n2ccnc2)ncn1 71920618 FXCOLDBPYGCWES-UHFFFAOYSA-N 301.300 2.577 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc3cn[nH]c23)cc1C 1427080 UIQDAOGXWODSJO-UHFFFAOYSA-N 317.370 2.681 0 40 DFAB CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1F)C2 108532216 VSUGWBPZIDSPLK-PBHICJAKSA-N 308.372 2.703 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 57445159 JUKYWIMBYSNUGK-IAGOWNOFSA-N 314.429 2.971 0 40 DFAB Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1-c1ncn[nH]1 57986158 OITHAMSMBCQHLM-UHFFFAOYSA-N 323.385 2.793 0 40 DFAB c1cc(CO[C@@H]2[C@H]3CC[C@H]2N(Cc2ccoc2)CCO3)ccn1 107721623 IXIUVRMJXVPXRT-KURKYZTESA-N 314.385 2.623 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)Cc1ccc(Br)cc1 27927323 FVDLFCXCQOOGID-UHFFFAOYSA-N 322.206 2.981 0 40 DFAB C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 44874775 RNBKCVQUXPPQDY-ZDUSSCGKSA-N 310.762 2.962 0 40 DFAB CCCn1ccnc1SCC(=O)c1ccc2c(c1)OCO2 58283386 FOHGQQJHYAEVKX-UHFFFAOYSA-N 304.371 2.997 0 40 DFAB CCOc1cccc([C@@H](C)NC(=O)c2snnc2CC)c1 58265747 ZTPMGRMQOOATJJ-SNVBAGLBSA-N 305.403 2.990 0 40 DFAB Cn1ncc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1C1CC1 58304875 BVRFXPXKBQMDCO-MRXNPFEDSA-N 311.385 2.511 0 40 DFAB NC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 58558326 BMKNOEARHBOUCM-UHFFFAOYSA-N 303.749 2.761 0 40 DFAB COCc1cccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1 36391920 RKCXRNLDWDFQAX-GJZGRUSLSA-N 304.434 2.541 0 40 DFAB COc1cc(CC(=O)NCC2CCCCC2)cc(OC)c1OC 3362470 KXPNAVHJEZVCKE-UHFFFAOYSA-N 321.417 2.951 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H](n2ccnc2)C1 71796525 CQKQGBYLCQPODH-GDBMZVCRSA-N 313.426 2.764 0 40 DFAB O=C(NCc1ccc(OC(F)F)cc1)NCc1cccnc1 29657439 PUYVWDACJFOHCC-UHFFFAOYSA-N 307.300 2.682 0 40 DFAB O=S1(=O)c2cc(Br)ccc2[C@H](O)CC12CCC2 306146032 ZZGRNPPCQWOHHN-SNVBAGLBSA-N 317.204 2.583 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(O)c1 12938065 OWOAVWHXGVSOGN-LBPRGKRZSA-N 314.316 2.904 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCc2cccc(F)c21 69893030 SLNGGIWPIYJUBM-GXTWGEPZSA-N 307.365 2.689 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2sccc2C)nc1 69843014 AZUIRBFGGPKXLY-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1ccc(Cn2ccs/c2=N\C(=S)NC2CC2)cc1 18142661 HWKUVFKICSSWCW-ICFOKQHNSA-N 303.456 2.844 0 40 DFAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2CC=CCC2)cc1 13189492 GPKQYBYZTAEILL-HIFRSBDPSA-N 303.358 2.684 0 40 DFAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 13467772 SZFROFXHIKHOIQ-AWEZNQCLSA-N 314.297 2.792 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3)ccc12 4046156 SFGGBDKNFGREPE-UHFFFAOYSA-N 323.348 2.797 0 40 DFAB biogenic CN(Cc1nnc2n1CCC2)C(=O)Nc1ccc(Cl)cc1 8704701 NEGXAORQISKFCD-UHFFFAOYSA-N 305.769 2.542 0 40 DFAB CCOCCc1nnc(NC(=O)Cc2ccc(C)cc2)s1 13844478 VUFFNJGYKGVNBO-UHFFFAOYSA-N 305.403 2.607 0 40 DFAB CC(C)(C)OC(=O)NCCNC(=O)Nc1cc(F)ccc1F 65303175 QHPGIWXRVABUOZ-UHFFFAOYSA-N 315.320 2.611 0 40 DFAB O=C(Cn1cncn1)N(Cc1ccccc1F)C1CCCCC1 65551691 IDIAZZUPHWWBLC-UHFFFAOYSA-N 316.380 2.779 0 40 DFAB Cc1c(C)n(-c2ccccn2)c2ncnc(NCCCN(C)C)c12 5348474 ZAUWWQPDEDBKMS-UHFFFAOYSA-N 324.432 2.796 0 40 DFAB CCn1cnnc1C1CCN(C(=O)CCc2ccsc2)CC1 65613362 YRKOZYUEQRGHOG-UHFFFAOYSA-N 318.446 2.698 0 40 DFAB CCc1nn2c(=O)cc(CSc3nc(C)cs3)nc2s1 6588342 VTOONRHIWNLWKN-UHFFFAOYSA-N 324.456 2.771 0 40 DFAB C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(N)=O 5583687 LWYPNNGXUCPFET-MRVPVSSYSA-N 316.338 2.587 0 40 DFAB O=S(=O)(NCCc1cccc2cccnc12)c1ccccc1 14899515 CQANGBPTYABDQP-UHFFFAOYSA-N 312.394 2.756 0 40 DFAB Nc1cc(N)nc(SCc2cccc(Br)c2)n1 6831856 GUFKZZQKVRUIHP-UHFFFAOYSA-N 311.208 2.696 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(=O)[nH]c2ccccc12 6971375 WHWKDAPZPWHETG-MRXNPFEDSA-N 320.348 2.782 0 40 DFAB Cc1noc(N)c1C(=O)OCc1ccc(Br)cc1 7248218 XOUXQVZNNXESJB-UHFFFAOYSA-N 311.135 2.685 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(O)cc2)CC1 67801062 SAAQYWKIIJWRQP-UHFFFAOYSA-N 306.406 2.881 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1 15860093 DZDHMYMYVXIWLQ-OAHLLOKOSA-N 302.374 2.629 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2OC)cc1 7653224 VXWLFFNVWBKNRD-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB CN(CCc1ccncc1)C(=O)CCc1cc(F)ccc1F 69388982 XRNYEAHKLVHTBV-UHFFFAOYSA-N 304.340 2.994 0 40 DFAB C[C@H](CC(=O)NCCC(=O)N1CCCCC1)c1ccccc1F 69352087 DIYVRAUDPHZZNF-CQSZACIVSA-N 320.408 2.838 0 40 DFAB COCCn1cc(NC(=O)Nc2cccc(SC)c2)cn1 69325191 JDAOEZOETHNGED-UHFFFAOYSA-N 306.391 2.895 0 40 DFAB CC(C)(C)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)no1 69540289 ROQUBDYNRHKZAL-LBPRGKRZSA-N 302.330 2.751 0 40 DFAB c1coc(-c2nc(CN3CCC[C@H]3Cn3cncn3)cs2)c1 69656154 KIOIBHVJOPBSDQ-ZDUSSCGKSA-N 315.402 2.659 0 40 DFAB COc1ccc(OCCN2CCC(c3cn[nH]c3)CC2)cc1 97203270 OKMXFPQGFCCWDY-UHFFFAOYSA-N 301.390 2.677 0 40 DFAB Cn1cc(CCC(=O)N[C@H](CO)c2ccccc2)c2ccccc21 97047553 JBLMKVMUOOWSQP-GOSISDBHSA-N 322.408 2.961 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2CCOC[C@@H]2CC)on1 84736530 OLWOCNHXISPAFP-ZDUSSCGKSA-N 309.410 2.899 0 40 DFAB CCN1CCN(c2ccc(CN[C@H](C)c3ccco3)cn2)CC1 95420404 BOCXOEINXZCDTP-OAHLLOKOSA-N 314.433 2.667 0 40 DFAB CCO[C@H]1C[C@@H](NC2CCN(C(=O)c3ccoc3)CC2)C1(C)C 95422893 IRYWYKTUZDLACW-CVEARBPZSA-N 320.433 2.677 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(=O)OC(C)(C)C 95436592 HVVSVHVESCPQLC-HZMBPMFUSA-N 322.405 2.704 0 40 DFAB COC(=O)CCN(Cc1ccc(F)cc1F)C1CCOCC1 84864244 ZABVZYSUKLSGLO-UHFFFAOYSA-N 313.344 2.509 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)C1CC1 73720527 NBAHHMNYYCKQEQ-SJORKVTESA-N 312.413 2.581 0 40 DFAB CC(C)Nc1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cn1 95972031 ATFHCTQXGFTYAP-CYBMUJFWSA-N 303.406 2.543 0 40 DFAB O=C(NCCCc1cccs1)N[C@@H]1CCO[C@H](C2CC2)C1 95943355 YDQBQDMZIITINZ-HIFRSBDPSA-N 308.447 2.938 0 40 DFAB CCn1c(SCC(C)(C)O)nc2sc(C)c(C)c2c1=O 95947680 SWOMVNZEVMJDLI-UHFFFAOYSA-N 312.460 2.958 0 40 DFAB C[C@H](NC(=O)N(C)CC[C@@H](C)O)c1cc(F)c(F)c(F)c1 95971262 UNLIYKOBFLNJPT-BDAKNGLRSA-N 304.312 2.577 0 40 DFAB Cc1sc2ncnc(N3CCCC[C@@H]3CC(N)=O)c2c1C 89565317 YAJCHGJCINMUBF-LLVKDONJSA-N 304.419 2.542 0 40 DFAB CCOc1ccc([C@@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 21367515 HSPPQRIBEHOIFA-AWEZNQCLSA-N 309.325 2.901 0 40 DFAB COc1ccccc1-c1ccc(N(C)C[C@H]2CCCN2C)nn1 1506427570 NJGJALWYXHORIB-CQSZACIVSA-N 312.417 2.683 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)Nc1nncs1 76732697 FWMGOMKNDJBTLS-JTQLQIEISA-N 324.837 2.693 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)NCCCc2ccc(Cl)cc2)C1 129807397 WPXXTZQBSLPHLP-HNNXBMFYSA-N 323.868 2.866 0 40 DFAB CCc1ccc(CC)c(NC(=O)NCCN2CCCOCC2)c1 225469689 SMUQHSGVYCVULN-UHFFFAOYSA-N 319.449 2.655 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226387902 OAPZOXGLZGZDEE-NWHWRWDZSA-N 322.408 2.726 0 40 DFAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](CO)[C@@H]1c1cccc(Cl)c1 225659391 RRKCNSQBLRZYAH-JYJNAYRXSA-N 322.813 2.888 0 40 DFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)o1 222991914 VCMVXKWXTUOGOD-GJZGRUSLSA-N 317.414 2.602 0 40 DFAB C[C@H]1CCCN(Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C 192054961 IJNFCCMCPYNJTL-UONOGXRCSA-N 320.437 2.602 0 40 DFAB CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 195530584 XHCIKJMJOQMBAX-LZLYRXPVSA-N 318.461 2.923 0 40 DFAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)cc1 44899802 BXZLCLPPEBRVQT-UHFFFAOYSA-N 321.398 2.572 0 40 DFAB Cc1ccc(Nc2nc(C(=O)NC[C@H](C)O)cs2)cc1C 199408727 MBWMYAMMVJWEMC-NSHDSACASA-N 305.403 2.614 0 40 DFAB CCc1cc(C(F)(F)F)nc(I)n1 238317422 SQFUUYKOZVLKIN-UHFFFAOYSA-N 302.037 2.662 0 40 DFAB Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1OCC(F)F 96403318 DFAXPUQMEXHIRU-NSHDSACASA-N 314.332 2.892 0 40 DFAB C[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)O 98037986 CBVHTQUPRAPJMP-ZDUSSCGKSA-N 322.364 2.898 0 40 DFAB O=C(C1CC1)N1CCOC[C@@H]1c1nccc(Nc2ccccc2)n1 96220045 LHUWHHAKOHRXGG-OAHLLOKOSA-N 324.384 2.530 0 40 DFAB CCO[C@@H]1C[C@@H](NCc2ccnc(-n3ccnc3)c2)C1(C)C 96493373 RQEQJYFYRTYPTO-HUUCEWRRSA-N 300.406 2.561 0 40 DFAB C[C@H](OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F 96443056 FUUMCLCMEHRREV-UWVGGRQHSA-N 309.328 2.765 0 40 DFAB CC(C)(C)c1ncc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)s1 91927988 QSZTWOLBBDJQKX-UONOGXRCSA-N 310.463 2.820 0 40 DFAB CCOC(=O)c1cc(Br)c(O)nc1C(F)(F)F 95096567 JRQKITANLXXKBN-UHFFFAOYSA-N 314.057 2.745 0 40 DFAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2cccnc2)C1 96416081 QQXGUKUYPMOTHD-GJZGRUSLSA-N 323.396 2.733 0 40 DFAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccs1)C2 96229784 LDOIWEMXSJWCCP-INIZCTEOSA-N 306.431 2.755 0 40 DFAB Cc1ncccc1C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 96443073 ABOVCUWXCGXPNL-KRWDZBQOSA-N 320.396 2.837 0 40 DFAB O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@H]1CCCO1 333201498 RJSWIFHTZNDJHV-GRYCIOLGSA-N 308.344 2.833 0 40 DFAB CCn1ncc(C)c1CNCCc1ccc(OC)c(OC)c1 256049640 ASUIONAAAIHGCR-UHFFFAOYSA-N 303.406 2.561 0 40 DFAB c1cnc2ncc(-c3cncc(C[C@H]4CCCNCC4)c3)n2c1 257303174 SGBMKQHVMDITED-AWEZNQCLSA-N 307.401 2.724 0 40 DFAB COCCN1CCC[C@@H](c2cccc(-c3cnc(C)n3C)n2)C1 257301629 RZEKXGQRFGRHPQ-OAHLLOKOSA-N 314.433 2.616 0 40 DFAB Cn1ccnc1-c1cnc([C@@H]2CCCN2Cc2cccnc2)cn1 585178870 WINWMMMRPOFRJF-KRWDZBQOSA-N 320.400 2.609 0 40 DFAB Cc1c(C(=O)N2CC[C@@]3(CCCO3)C(=O)C2)oc2ccccc12 585288620 FRLNMAVQONWOGS-SFHVURJKSA-N 313.353 2.705 0 40 DFAB Cn1ccnc1Sc1nc(-c2ccccn2)nc2c1CCC2 69895318 QLLGILQTBOLBJB-UHFFFAOYSA-N 309.398 2.912 0 40 DFAB O=S(=O)(c1ccccc1NCc1ccccn1)C(F)(F)F 35233189 UBGCEJKNCPURBT-UHFFFAOYSA-N 316.304 2.987 0 40 DFAB O=C(NCCCOC1CCOCC1)c1nccc2ccccc12 76022867 GGMHDNYGBGTMNX-UHFFFAOYSA-N 314.385 2.550 0 40 DFAB C[C@@H](NC(=O)NCc1cc[nH]n1)c1cccc(N2CCCC2)c1 87134273 ZQMRMIRLOFCRHU-CYBMUJFWSA-N 313.405 2.570 0 40 DFAB CCS(=O)(=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613844 POLUNRNBXDBGRE-GFCCVEGCSA-N 324.229 2.716 0 40 DFAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cccs2)cc1 5329221 NLYRLIWDUDGJNH-UHFFFAOYSA-N 322.411 2.676 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CC1)CC1(CCOCC1)O2 12337431 QXXTZPIKSRVQBS-HNNXBMFYSA-N 301.386 2.894 0 40 DFAB CCc1cc(C(F)(F)F)c2c(C3CC3)nn(CC(=O)O)c2n1 12396991 LQYSIDBOBXQTPN-UHFFFAOYSA-N 313.279 2.975 0 40 DFAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(N)=O 14013291 DBQMSNUDQFMBLR-INIZCTEOSA-N 312.369 2.890 0 40 DFAB COc1cc(F)cc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 156219755 YBENBRMJAUSQLX-HNNXBMFYSA-N 318.348 2.559 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O 6882683 IQFZJNCETIGXIO-QWHCGFSZSA-N 307.346 2.528 0 40 DFAB CCCCCCOc1ccc(/C=C2\NC(=S)NC2=O)cc1 3570773 RCFXFGSQIVOHPO-KAMYIIQDSA-N 304.415 2.991 0 40 DFAB COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(F)cc1 8535101 YODFNJSBBNLLEE-CYBMUJFWSA-N 319.376 2.884 0 40 DFAB COc1ccc(C(=O)O[C@@H](c2ccc(OC)cc2)[C@H](C)O)cc1 14504530 PCUOEOPTDCUNQQ-YVEFUNNKSA-N 316.353 2.983 0 40 DFAB endogenous,in-man O=C(CC1CCCCC1)NCc1nnc(-c2ccccn2)o1 19403458 IJKQKEANMUTVKD-UHFFFAOYSA-N 300.362 2.718 0 40 DFAB COc1c2ccc(C(=O)N3CCCc4cnccc43)cc2nn1C 1888879407 MZDKGSOKDTXGHB-UHFFFAOYSA-N 322.368 2.570 0 40 DFAB O=C(Nc1cc2c(cc1Br)OCCO2)C1CCC1 3554080 QCBKZAJHKUYJNC-UHFFFAOYSA-N 312.163 2.959 0 40 DFAB Cc1ccc(C(=O)N2CC[C@@H](c3noc(-c4ccco4)n3)C2)cn1 245015161 LONXMDGHZKWBMB-CYBMUJFWSA-N 324.340 2.663 0 40 DFAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CC2CC2)C1 2037915954 DSYQANPWFSSBIC-GOSISDBHSA-N 303.402 2.873 0 40 DFAB Clc1ccc(-c2nnc3sc(-c4cnccn4)nn23)cc1 4784663 QRZUCPCZIZSIBQ-UHFFFAOYSA-N 314.761 2.963 0 40 DFAB CCc1nccn1CC1CN(C(=O)c2ccc3ccccc3n2)C1 1848788188 WSUGRNGPDNPHRV-UHFFFAOYSA-N 320.396 2.766 0 40 DFAB O=C(/C=C/c1ccoc1)NC[C@@](O)(c1cccs1)C1CC1 206700714 FHRUSLQPKUZBFE-GIZXNFQBSA-N 303.383 2.768 0 40 DFAB O=C(NC1CC1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 209326370 XBKZVXKBGYOQML-GOSISDBHSA-N 320.392 2.532 0 40 DFAB O=C(Nn1cnnc1)[C@@H](Sc1ccccc1)c1ccccc1 253555 IRHHFEIPNYMCJH-HNNXBMFYSA-N 310.382 2.882 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 87689 ZFDCCSJSPIQLSH-CHWSQXEVSA-N 305.399 2.638 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 78976309 DLJBLXQDIRRBNK-KBPBESRZSA-N 300.333 2.575 0 40 DFAB O=C(CSc1nncs1)Nc1ccccc1N1CCCC1 53048309 DLSRBDQNZNTIPN-UHFFFAOYSA-N 320.443 2.869 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1nncn1C 46963160 VESUKVOTYLYDJQ-ZYHUDNBSSA-N 319.434 2.657 0 40 DFAB CC(C)(C)C1CCC(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 42369897 MTFPYISHNXNHAP-ZUEPYMLJSA-N 315.479 2.532 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1cccs1 23435651 WXJDDMXHANJIPC-FZMZJTMJSA-N 320.414 2.973 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)NCc1nc2ccccc2s1 42815618 GZIMZQOIPJGLCP-GFCCVEGCSA-N 319.430 2.864 0 40 DFAB O=C(NOCc1ccccc1)c1ccc(N2CCOC2=O)cc1 43008040 LUIVUZYAJDBYIJ-UHFFFAOYSA-N 312.325 2.505 0 40 DFAB Cc1cccc(C(NC(=O)[C@H]2CCC(=O)N2)c2cccc(C)c2)c1 84367651 CYWJCPAQRWUXJS-QGZVFWFLSA-N 322.408 2.788 0 40 DFAB Cn1cc(NC(=O)c2occc2COc2ccccc2)ccc1=O 84314490 PUQJKVPQIBBKSC-UHFFFAOYSA-N 324.336 2.810 0 40 DFAB CN(CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 12542356 HLUHABBZPUEHCW-UHFFFAOYSA-N 307.397 2.963 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635495 OGDIXAHVHSKMKS-ZZCKCESHSA-N 308.466 2.558 0 40 DFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1O 26125021 FQNJOXBEMKPRLV-UHFFFAOYSA-N 324.380 2.557 0 40 DFAB Cc1cccc(OCCN(C)c2nn3cc(C)nc3s2)c1 26697456 CMTJLWWRIUAZKV-UHFFFAOYSA-N 302.403 2.923 0 40 DFAB O=C(NCCOc1ncccc1Cl)c1cc(Cl)c[nH]1 95415728 VHVQQJJJIWZKGM-UHFFFAOYSA-N 300.145 2.525 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)s1 95424015 WQSDUGHSZQLJDW-AWEZNQCLSA-N 303.383 2.976 0 40 DFAB Cc1nc(C)c(C(=O)NCCn2c(C)nc3ccccc32)s1 48279081 YRTBZKSPSGIGIG-UHFFFAOYSA-N 314.414 2.848 0 40 DFAB COC(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 10214672 PJHNMEZFAPNOOP-UHFFFAOYSA-N 322.364 2.927 0 40 DFAB CCOc1cccc([C@@H](C)NC(=O)CCNc2ncccn2)c1 58281431 UQOGWYAXJGIIEA-CYBMUJFWSA-N 314.389 2.555 0 40 DFAB COC(=O)[C@@H](Nc1ccc(C(N)=O)c(C)c1)c1ccccc1C 97148527 KEDAZLSSIQSSOM-INIZCTEOSA-N 312.369 2.729 0 40 DFAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccccc1 2117820 ZMGFXFAEQGQFME-UHFFFAOYSA-N 306.339 2.631 0 40 DFAB CC(C)(C)OC(=O)NCC1CCN(Cc2cccnc2)CC1 58344077 BETOTKLYLHVKNZ-UHFFFAOYSA-N 305.422 2.818 0 40 DFAB CNC(=O)Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1 29529684 AQHUVTGJDZQCRL-UHFFFAOYSA-N 310.279 2.528 0 40 DFAB O=C(CCNC(=O)c1cccs1)NCCCc1ccccc1 12981419 GSPRIIRJABVMSU-UHFFFAOYSA-N 316.426 2.617 0 40 DFAB Cc1nn2cccnc2c1C(=O)N[C@@H](C)Cc1ccc(F)cc1 84028283 ALLQSAARBZYMOB-NSHDSACASA-N 312.348 2.538 0 40 DFAB CC(C)C1CCC(N2CCN(C(=O)c3csnn3)CC2)CC1 84621078 QXGKYKMERPQERI-UHFFFAOYSA-N 322.478 2.511 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc(C)n1-c1ccccc1 6109236 MJTJUCRZTLTKEB-LLVKDONJSA-N 304.419 2.583 0 40 DFAB CC(=O)c1csc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)c1 95450813 XSVQDIVNNMJMLI-CQSZACIVSA-N 315.398 2.930 0 40 DFAB Nc1nccnc1C(=O)OCc1csc(-c2ccccc2)n1 14059579 WWSGLBQEEXBFTJ-UHFFFAOYSA-N 312.354 2.539 0 40 DFAB COC(=O)c1cccc(C(=O)Nc2ccc(SC)nc2)c1 65564975 WDSMNNQKQCAZLD-UHFFFAOYSA-N 302.355 2.842 0 40 DFAB C[C@H]1C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc21 14162735 FBXGDLYMTANDIV-SNVBAGLBSA-N 315.398 2.702 0 40 DFAB COc1ccc([C@H](NCc2nnc(C)o2)C(F)(F)F)cc1 96002529 GMRZZOHSXGXMGB-LBPRGKRZSA-N 301.268 2.780 0 40 DFAB CCn1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cn1 96003629 JSUGSSYEUVVKMS-KBPBESRZSA-N 322.453 2.733 0 40 DFAB CC(=O)N1CC[C@@H](NCc2cc3cc(F)ccc3o2)[C@@H](C)C1 84714788 BHMGMPFKCNBWCI-MEDUHNTESA-N 304.365 2.918 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)c1ccc2c(c1)CCC2 5636448 LICQKRGPXIHLKO-QMMMGPOBSA-N 305.428 2.973 0 40 DFAB Oc1ccc(-n2nnnc2SCc2ccc(Cl)cn2)cc1 97046725 FBHIYVAONQGFQI-UHFFFAOYSA-N 319.777 2.709 0 40 DFAB COc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCO2 9388716 SPCYDILZCGVCEP-UHFFFAOYSA-N 314.341 2.788 0 40 DFAB O=C(c1cc2ccccc2cc1OC(F)F)N1CCOCC1 90066333 MJXNMKKUVKQPCU-UHFFFAOYSA-N 307.296 2.914 0 40 DFAB CCn1nc(C)c(CNC(=O)N(C)Cc2ccccc2)c1C 67467538 OVSJWZAITCMQIX-UHFFFAOYSA-N 300.406 2.861 0 40 DFAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccncc2)c1 15565891 ILPCFYJNNSIHEM-UHFFFAOYSA-N 315.398 2.700 0 40 DFAB CSc1ccccc1C(=O)O[C@@H](C)C(=O)NCc1ccco1 7431622 NKRMVNMFWZZSMQ-NSHDSACASA-N 319.382 2.863 0 40 DFAB NC(=O)C1CCN(Cc2csc(-c3ccccc3)n2)CC1 7435804 PYCOIZSGOZCIJI-UHFFFAOYSA-N 301.415 2.507 0 40 DFAB O=C(COc1ccc(F)cc1)Nc1noc(-c2cccs2)n1 15840333 QTXAKDNNPOMFHS-UHFFFAOYSA-N 319.317 2.955 0 40 DFAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 96305773 BLGXDPWTXWFMKU-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB C[C@@H](NC(=O)NCCn1ccnc1)C(C)(C)c1ccccc1 71795675 NFELHEYZUIHTPT-CQSZACIVSA-N 300.406 2.549 0 40 DFAB CCCC(=O)N[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 80976876 UUKJXHZBZLOHAR-CYBMUJFWSA-N 316.380 2.654 0 40 DFAB CCOC(=O)c1ccccc1N(CC)C(=O)c1cnc(C)cn1 72288096 PWPLZMFXTOJBEE-UHFFFAOYSA-N 313.357 2.628 0 40 DFAB CC(C)(C)CC(=O)N1CCC2(CC1)N=C(O)[C@@H]1CCCCN12 96429891 OLAPJKRPPBLWQE-ZDUSSCGKSA-N 307.438 2.566 0 40 DFAB CC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 90916355 FZHVVTPHRXFPCV-MSOLQXFVSA-N 308.466 2.857 0 40 DFAB COC(=O)c1cccc2c1CCCN2C(=O)c1csc(C)n1 71832986 DTRPGWGWKGVOET-UHFFFAOYSA-N 316.382 2.831 0 40 DFAB COCc1nc(C(=O)N2CCC[C@H]2c2cc(C)on2)cs1 71830947 CPQLLUIDHMPIAJ-LBPRGKRZSA-N 307.375 2.563 0 40 DFAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1cccc(O)c1 69428247 JBDXOTYMMPMSQE-CYBMUJFWSA-N 322.368 2.523 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2ncc(C(C)(C)C)o2)n1 69493268 PYGVAKJFVQGXJO-AWEZNQCLSA-N 317.437 2.845 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2cccn2)nc1 19910425 RHJOJGBZEUTFCR-UHFFFAOYSA-N 318.258 2.937 0 40 DFAB CN(C)CCc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1 69625909 KDJKNXMYIBYBQG-UHFFFAOYSA-N 308.385 2.919 0 40 DFAB CC1(C)Cc2cc(CN3CCOC4(CCOCC4)C3)ccc2O1 91895143 MQGZKERCLAPNKF-UHFFFAOYSA-N 317.429 2.782 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ncccc1C 21596267 LUFVKBGAUNXZAV-UHFFFAOYSA-N 315.398 2.834 0 40 DFAB Cc1csc(CN2CCOC[C@H]2CC(=O)c2ccco2)n1 189270669 CZEHBQHBKBTDTP-GFCCVEGCSA-N 306.387 2.518 0 40 DFAB COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1F 30289378 WXHVEDVDOFYSHQ-UHFFFAOYSA-N 301.383 2.835 0 40 DFAB C[C@@H](c1ccccc1)[C@H](CO)Nc1ncc(Br)cn1 78882442 GKIVYMRFUPAVBF-GWCFXTLKSA-N 322.206 2.816 0 40 DFAB CN(C(=O)c1ccn(C)c(=O)c1)c1cc(Cl)cc(Cl)c1 79094218 ONSOSIRBZFEJOE-UHFFFAOYSA-N 311.168 2.969 0 40 DFAB O=S(=O)(Nc1cccnc1)c1ccccc1Br 37385860 FLJVVJBTAZKDDS-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 40160907 HWLPWSOKMYOQGJ-CABCVRRESA-N 319.401 2.564 0 40 DFAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC1CCCC1 225721860 DHSCXQQQPCXJTK-UHFFFAOYSA-N 304.777 2.714 0 40 DFAB CS(=O)(=O)c1ccc(N2CCCc3ccccc32)cc1N 42783754 GQXFWSYHGCQIQH-UHFFFAOYSA-N 302.399 2.757 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 139644861 HBXCGBUOSKUGDG-QGZVFWFLSA-N 302.374 2.907 0 40 DFAB COc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 41288611 JNONEJLZVJWCNQ-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB CCC(C)(C)C1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1 46566340 ORLFFSIATNVUOD-UHFFFAOYSA-N 307.438 2.706 0 40 DFAB C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](c1ccco1)N(C)C 40086495 QFTNIYNICAIPHE-DOMZBBRYSA-N 320.364 2.605 0 40 DFAB C[C@@H]1SCCN(CCN2CCOC2=O)[C@@H]1c1ccccc1 96411486 BSNBCADSKOJWGL-ZFWWWQNUSA-N 306.431 2.617 0 40 DFAB Cc1cccc(I)c1C(=O)N[C@H]1C[C@@H]1C 96475990 AMLJFKMKSGNOEA-WPRPVWTQSA-N 315.154 2.738 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)N[C@H](C)c1ccccn1 96437624 OSWXWJAYOVDMEK-ZIAGYGMSSA-N 300.406 2.802 0 40 DFAB C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)[C@H]1CN(C)CCO1 96484929 XIBCWWVMSVWNPJ-IINYFYTJSA-N 320.330 2.653 0 40 DFAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1 96442625 JOVDVMRJPNLSRO-AWEZNQCLSA-N 315.394 2.954 0 40 DFAB CC(C)N(C)C[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1 96224944 CPFBJWMJTZNUCV-INIZCTEOSA-N 318.465 2.582 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C)n3)CC(=O)N2C)cc1 96181316 VILOWTRXJINXJG-YJBOKZPZSA-N 323.396 2.857 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)Cc1cccnc1 96410054 ZWAPVNIURFFRDK-UHFFFAOYSA-N 303.450 2.595 0 40 DFAB CCOC(=O)CCc1ccc(NC(=O)[C@@H](C)n2ccnc2)cc1 96417090 RCOHQZMRTOYBJK-CYBMUJFWSA-N 315.373 2.579 0 40 DFAB c1cc(CC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)ncn1 257278269 OBNSUCXVVFRPDM-GOSISDBHSA-N 322.412 2.792 0 40 DFAB Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257220792 DMECZHLOGHWWLA-GFCCVEGCSA-N 313.405 2.537 0 40 DFAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccncc2)n1 257256784 KMWUCGVTOCMNHA-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB Cn1nc(-c2ccccc2NC(=O)/C=C/c2ccco2)ccc1=O 96097798 CJLSDYZOKPJFSG-CSKARUKUSA-N 321.336 2.692 0 40 DFAB COc1cccc([C@@H](CNC(=O)c2cccc(F)c2)OC)c1 96389746 ORXPRWBSKMXGLA-MRXNPFEDSA-N 303.333 2.952 0 40 DFAB Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(C3CCC3)C2)c1 585281819 BLVWWXDAJWTNLB-LJQANCHMSA-N 319.445 2.606 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)Nc1ccc(F)cc1F 69668361 XLWLRBXTZFOGNR-QFIPXVFZSA-N 324.352 2.894 0 40 DFAB CC(C)c1n[nH]c(C(=O)N2CCCCC2)c1Br 69663441 PTGSXWZWUSKVIS-UHFFFAOYSA-N 300.200 2.922 0 40 DFAB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)CC(=O)C(F)F 953061121 PWFCZKGMZWEYFK-NXEZZACHSA-N 319.348 2.673 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 57355226 LXIWBSUDFMVUAQ-CYBMUJFWSA-N 323.868 2.765 0 40 DFAB Cc1cnc(CNc2ccc3nnc(-c4ccccc4F)n3n2)o1 92662838 XQIPEJMOUXRVKY-UHFFFAOYSA-N 324.319 2.839 0 40 DFAB c1ccc(CCc2noc(CSCCn3ccnc3)n2)cc1 90201854 UZDZABUKTKSQRM-UHFFFAOYSA-N 314.414 2.985 0 40 DFAB Cn1ccnc1CNC[C@@H]1CCCn2cc(C(C)(C)C)nc21 84284639 HVQXSXQCURRRTQ-ZDUSSCGKSA-N 301.438 2.581 0 40 DFAB CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 71806460 BYDXTDQNVQLHPE-UHFFFAOYSA-N 319.401 2.845 0 40 DFAB CN(Cc1noc(C2CC2)n1)Cc1nccn1Cc1ccccc1 75915198 YYYUTBABUFAUPX-UHFFFAOYSA-N 323.400 2.824 0 40 DFAB Cc1cc(C)c2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c2c1 12360886 PYOOQWKQFCEEIY-UHFFFAOYSA-N 301.434 2.656 0 40 DFAB CCOC(=O)Nc1cc(Cl)c2ncn(C(=O)OCC)c2n1 13207618 GSJYBMUQNCGCOK-UHFFFAOYSA-N 312.713 2.658 0 40 DFAB C[C@@H](Cc1ccccn1)NC(=O)C[C@@H](C)n1nnc2ccccc21 19457030 NTCGEPRWUIKTKJ-UONOGXRCSA-N 323.400 2.525 0 40 DFAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1OC 6309512 ZBINRRXAHHJIQS-ZDUSSCGKSA-N 315.369 2.960 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](C(=O)O)N1CCCCC1 5258230 XLXUQZWOPANGNO-AWEZNQCLSA-N 324.808 2.916 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](CF)C3)CC2=O)cc1 1888853715 XVUPPFFFFOSFSU-CABCVRRESA-N 318.392 2.556 0 40 DFAB O=C(NCc1ccnc([C@@H]2CCCO2)n1)c1ccc2c(c1)CCC2 1848356852 IQVSIZVVKWLGTQ-KRWDZBQOSA-N 323.396 2.747 0 40 DFAB Cc1nc(N(C)CCCn2ccnc2)ccc1Br 272977909 AHMOJUQNQWUFBX-UHFFFAOYSA-N 309.211 2.876 0 40 DFAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CO)c(F)c1 96434366 RVZLXMLLHUUHHN-BXUZGUMPSA-N 310.369 2.895 0 40 DFAB C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@@H](N2CCCC2)C1 73073369 URPNUGBGXJZFQF-DLBZAZTESA-N 316.445 2.788 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 31038357 SFRMDPWCWKGYKN-SECBINFHSA-N 309.774 2.971 0 40 DFAB CCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 148968 UYOPCTLFGVCLKC-UHFFFAOYSA-N 307.375 2.760 0 40 DFAB COc1ccccc1NC(=O)N(CCO)Cc1ccsc1 52121844 DJQVQRJJVKJGBF-UHFFFAOYSA-N 306.387 2.783 0 40 DFAB CCC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 81385 MLCBXHPYUPQKGU-LBPRGKRZSA-N 304.243 2.689 0 40 DFAB CCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 144630 AMUFGJKIVIZXBN-UWVGGRQHSA-N 320.414 2.707 0 40 DFAB Cc1cc(C)c(NC(=O)c2cnc3n(c2=O)CCS3)c(C)c1 211369 YPKJDDFWBMDBCY-UHFFFAOYSA-N 315.398 2.527 0 40 DFAB O=C(O)c1cccc(NC(=S)NC(=O)c2cccs2)c1 377280 OHYUKONPNAXSIQ-UHFFFAOYSA-N 306.368 2.573 0 40 DFAB Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 412581 LVJFQDIZXIANLD-UHFFFAOYSA-N 304.419 2.978 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)c2cccc(Cl)c2)o1 2650229 BRDMMEYCYXFJFS-UHFFFAOYSA-N 314.746 2.694 0 40 DFAB CCOc1cnn(-c2ccc(C)cc2)c(=O)c1Br 1401957 QETAJFRLSIAOFF-UHFFFAOYSA-N 309.163 2.702 0 40 DFAB CNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 1377612 AJVWNWKMKOEJSP-IRXDYDNUSA-N 317.502 2.974 0 40 DFAB O=C1CN(C(=O)Nc2ccccc2Cl)[C@@H]2CCCC[C@H]2N1 79104126 JDNFPRGDMBKJPP-CHWSQXEVSA-N 307.781 2.615 0 40 DFAB CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 565210 CFPXTESHUPIAAM-OAHLLOKOSA-N 321.785 2.839 0 40 DFAB C[C@@H]1c2ccsc2CCN1CC(=O)N(C)Cc1ccco1 53150903 SDQJKPYNGPNYDD-GFCCVEGCSA-N 304.415 2.919 0 40 DFAB Cc1ncc(CNC[C@@H]2CCc3nnc(C(C)C)n3C2)s1 71871901 BHSTVYHMWFOHDV-LBPRGKRZSA-N 305.451 2.519 0 40 DFAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@H]1c1cccc(Br)c1 71846800 GSWMOBWCKXEFFG-QWHCGFSZSA-N 320.190 2.592 0 40 DFAB CNc1snc(C)c1C(=O)OCC(=O)c1cccc(OC)c1 8706083 KDPOBKFOXGEAQA-UHFFFAOYSA-N 320.370 2.542 0 40 DFAB O=C(CCc1ccc(Cl)cc1)NCCCNc1ncccn1 42756834 LFYPKVUYIGXBHM-UHFFFAOYSA-N 318.808 2.681 0 40 DFAB CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24114642 YBDXHVRSXVZFOK-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB O=C(NCc1ccc(CN2CCCCC2)cc1)NCC1CC1 25088216 VGCJJGSLDYCPCX-UHFFFAOYSA-N 301.434 2.882 0 40 DFAB O=C(Cc1noc2ccccc12)Nc1ccccc1-n1cncn1 25003135 GQWFMDVRWIIAER-UHFFFAOYSA-N 319.324 2.590 0 40 DFAB CC(C)c1ccc(-n2nnnc2S[C@H]2C[C@@H](C)OC2=O)cc1 25548562 MVXDPQMHFPQDQG-MFKMUULPSA-N 318.402 2.582 0 40 DFAB COCc1ccccc1CNC(=O)c1cc2ccccc2c(=O)[nH]1 25794636 MSWNCAJSDWOOFG-UHFFFAOYSA-N 322.364 2.605 0 40 DFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1cccnc1)C1CC1 56457191 XWLXTLYKMULEIK-SFHVURJKSA-N 321.380 2.766 0 40 DFAB CC1CCC(NC(=O)Nc2ccccc2S(C)(=O)=O)CC1 43929402 DKLFPXOWRKZNHA-UHFFFAOYSA-N 310.419 2.790 0 40 DFAB Cc1nc(C)c(COC(=O)[C@@H]2CCCN2c2nccs2)s1 97001481 WBRGSXOLBYFSRC-NSHDSACASA-N 323.443 2.929 0 40 DFAB O=C(NCCc1cnn(-c2ccccc2)c1)Nc1cccnc1 44895480 WIPDNUIILQMQBJ-UHFFFAOYSA-N 307.357 2.632 0 40 DFAB COc1ccc(C(=O)[C@@H](C)Sc2nccn2C)cc1OC 58215847 FOSSPPCINVCEDL-SNVBAGLBSA-N 306.387 2.801 0 40 DFAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CCCO1 44935270 URWWWARYXMSVLT-HNNXBMFYSA-N 316.332 2.808 0 40 DFAB CSCC[C@H](NC(N)=O)C(=O)N(C)c1cccc(C(C)C)c1 58323533 KMCKBYZFMDDHRH-AWEZNQCLSA-N 323.462 2.563 0 40 DFAB CC(C)c1nc(CN2CCN(C[C@H]3CCCO3)CC2)cs1 58563058 MBCITJZSLZYJEL-OAHLLOKOSA-N 309.479 2.563 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H](CO)C[C@]34C)[C@@H]1CC[C@H]2O 118933692 GMNUCAFZYMWGOG-ZZQXXOMDSA-N 322.489 2.969 0 40 DFAB CC(C)Nc1nc(Cl)nc(NCCOc2ccccc2)n1 2311908 LMZPFTWUQOXDIV-UHFFFAOYSA-N 307.785 2.836 0 40 DFAB OCCN1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 20374886 LUXBUMYDFQNJON-UHFFFAOYSA-N 313.426 2.507 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)OC 59649387 UGIFDBSBKHFPRX-NHYWBVRUSA-N 300.358 2.552 0 40 DFAB O=C(O)/C=C/c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 12775495 FZFWKYMUYYWJPL-JOZWUWCOSA-N 323.348 2.974 0 40 DFAB Cc1nc(-c2ccc(CNC(=O)c3cnn(C)c3)cc2)cs1 12764837 TWVJIFICPDCOSQ-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)c1c[nH]c2ccccc2c1=O 65074408 JTTPLBQXFDCXQX-UHFFFAOYSA-N 308.337 2.506 0 40 DFAB CN(C1CCCCC1)S(=O)(=O)N(C)C(C1CC1)C1CC1 65266602 APDUMSIRZCIWTK-UHFFFAOYSA-N 300.468 2.616 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC2(Cl)Cl)c1 6235757 YCHQKCZPBYDWGY-SECBINFHSA-N 302.157 2.914 0 40 DFAB Cc1[nH]c2ccccc2c1C1=CCN(CCS(C)(=O)=O)CC1 83202283 DEUZKWSKOLQTIV-UHFFFAOYSA-N 318.442 2.610 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)o1 65474567 CKUWUZPAUDVGCX-CHWSQXEVSA-N 306.406 2.802 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCCN1CCCC1 65593602 VNQOXPVIJHQLON-UHFFFAOYSA-N 317.408 2.760 0 40 DFAB C[C@H](C(=O)NCc1cccs1)N1CCc2ccccc2C1 14120598 QBAFPPQOHNKZAA-CYBMUJFWSA-N 300.427 2.811 0 40 DFAB CONC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 14198034 XYXYBVGUSOIVHV-UHFFFAOYSA-N 319.361 2.885 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1C 19736381 NPHDMJDCVRYVHS-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)s2)no1 9691854 PPEXBWZFPPACEO-ZETCQYMHSA-N 314.750 2.882 0 40 DFAB Cc1ccc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 93682881 MWGIUPZGUDKACE-NSHDSACASA-N 320.380 2.947 0 40 DFAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1C 7617552 YSHFLJXBEXFEFR-UHFFFAOYSA-N 304.419 2.852 0 40 DFAB Cn1cc([C@H]2C[C@H]2C(=O)NCc2cccc3ccccc23)cn1 68424212 YYDROYBAYWYFSR-QZTJIDSGSA-N 305.381 2.993 0 40 DFAB NC(=O)CNC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 91008579 BQKWQJOTIYIFJO-UHFFFAOYSA-N 320.801 2.706 0 40 DFAB Fc1cccc(Br)c1CN1CCc2[nH]ncc2C1 91079120 DRNNJBFIDQAVJO-UHFFFAOYSA-N 310.170 2.870 0 40 DFAB CCOCCCNC(=O)c1cc(-c2csc(C)n2)cn1C 9446085 FJKSMFHSQKIOSU-UHFFFAOYSA-N 307.419 2.613 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CCC[C@H]1Cn1cccn1 70016240 WLQWPLQITYQXED-INIZCTEOSA-N 308.385 2.529 0 40 DFAB CC(C)NC(=O)CN(C)C(=O)c1ccc(Cl)c(Cl)c1 8354313 PFUKNIZXQWZTDM-UHFFFAOYSA-N 303.189 2.590 0 40 DFAB C[C@H]1CN(C(=O)c2cc(Br)cs2)C[C@@H](C)O1 17031017 APMMIUYWBDETNE-OCAPTIKFSA-N 304.209 2.760 0 40 DFAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2CC2)CC1=O 17121080 FASOHULWIZKRPZ-QWHCGFSZSA-N 300.402 2.832 0 40 DFAB O=C(c1ccc(N2CCCC2)nc1)N1CCc2sccc2C1 69533712 QLMMYEKZXRQKQX-UHFFFAOYSA-N 313.426 2.942 0 40 DFAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc[nH]1 69620400 MXHLRKLHOSZSBF-UHFFFAOYSA-N 303.337 2.643 0 40 DFAB COc1ccc(-c2nc(CN[C@@H](C)c3ccncc3)no2)cc1 97084018 SXCWOQCHOYHIND-LBPRGKRZSA-N 310.357 2.991 0 40 DFAB CC(=O)c1ccc(NC(=O)NCc2cnn(C)c2C)cc1Cl 97084162 PFUQJIVVFXQOGJ-UHFFFAOYSA-N 320.780 2.906 0 40 DFAB Cc1csc(COC(=O)c2ccc(-c3ncn(C)n3)cc2)n1 97054695 SQMSZOADABVGJO-UHFFFAOYSA-N 314.370 2.604 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 69737191 FCYGFTARTQQLDM-LBPRGKRZSA-N 324.371 2.733 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCCCn1ccnc1C 95399882 TVMWKDDSBPUKEI-UONOGXRCSA-N 310.467 2.555 0 40 DFAB Fc1ccc2oc(Cn3nnc(-c4ccsc4)n3)nc2c1 95411452 AXRMXFILJDQQGI-UHFFFAOYSA-N 301.306 2.730 0 40 DFAB COC(=O)N1CCC[C@@H](NCc2cc(F)cc3cccnc23)C1 95415446 PVIOOZIUIPGCGZ-OAHLLOKOSA-N 317.364 2.694 0 40 DFAB O=C(NCCc1cccc2ccccc12)NC[C@H]1CCC[C@H]1O 73677860 IFBPUHBNQNIDQQ-SJLPKXTDSA-N 312.413 2.843 0 40 DFAB COCCn1cnnc1SCc1ncc(Cl)cc1Cl 95990707 SJESHMJUQRZJEX-UHFFFAOYSA-N 319.217 2.919 0 40 DFAB CC(C)C1CCN(C(=O)NCCCCn2ccccc2=O)CC1 74266643 MPMOEZWNOHYEIY-UHFFFAOYSA-N 319.449 2.706 0 40 DFAB CC1CCN(CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 9950981 UBPFFTIVDRRGCW-KDOFPFPSSA-N 321.465 2.813 0 40 DFAB CC(C)(C)C(=O)NCCCC(=O)N(CC1CC1)CC(F)(F)F 75093897 FFDRZIMOYJWCQA-UHFFFAOYSA-N 322.371 2.730 0 40 DFAB COc1ccc2oc(C)c(C(=O)N3CCN(C)C[C@H]3C)c2c1 89534367 WWMCBVCALRGZRQ-LLVKDONJSA-N 302.374 2.526 0 40 DFAB C1CCc2nnc([C@@H]3CCCN3c3nc(C4CC4)no3)n2CC1 89819283 OYJWIWBTZDCEBT-LBPRGKRZSA-N 314.393 2.606 0 40 DFAB CC[C@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)C[C@@H]1N(C)C 89948442 PWLRGADQIABMPX-SJCJKPOMSA-N 317.408 2.648 0 40 DFAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@](C)(c2ccccc2)C1 75611618 XZDDNJUWHIAYOT-DNVCBOLYSA-N 324.428 2.857 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](NCc1ncc(C(C)(C)C)o1)CC2 75603658 UESLUWJYRVQVOA-GFCCVEGCSA-N 317.437 2.792 0 40 DFAB COc1cccc(CNC(=S)c2ccc3c(c2)OCO3)c1 408573857 PACHIOJWENFCSD-UHFFFAOYSA-N 301.367 2.889 0 40 DFAB CCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 67298281 SOOIUOFRUZXQQG-ZZEZOPTASA-N 324.336 2.868 0 40 DFAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 408501958 QFMTUKAWQPEGJM-IWSPIJDZSA-N 319.835 2.643 0 40 DFAB CSc1nccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 33359152 FWVXMOMRJUMBQL-SNVBAGLBSA-N 310.423 2.620 0 40 DFAB COc1cc2c(cc1OC)[C@H](NC(=O)c1c(C)noc1C)CC2 524732580 CUZVLOKDVJKJOR-CYBMUJFWSA-N 316.357 2.726 0 40 DFAB O=C(CN1CCCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 72346724 SWASHTHFACPHML-INIZCTEOSA-N 312.417 2.712 0 40 DFAB 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CNC(=O)COc1ccccc1CNc1cc(C)ccc1F 96486290 YLJOACOUJXIEBQ-UHFFFAOYSA-N 302.349 2.871 0 40 DFAB COc1cccc(CC(=O)Nc2ccccc2-c2nncn2C)c1 68727090 LJJCSYJWNLQFOZ-UHFFFAOYSA-N 322.368 2.672 0 40 DFAB CCn1nnnc1S[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 16460405 SZENIYXIUXVUDJ-JTQLQIEISA-N 315.402 2.846 0 40 DFAB COC[C@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8038451 UKGDVGMTGSHLBB-DTWKUNHWSA-N 305.205 2.945 0 40 DFAB COc1ccc(CN(C)C(=O)c2c(C)noc2C)cc1OC 8315711 UMOXYXCSTSBPLM-UHFFFAOYSA-N 304.346 2.581 0 40 DFAB C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@@H]1CCCO1 71886634 KILADXBYLKUTAN-DYVFJYSZSA-N 315.417 2.967 0 40 DFAB CN(CC1CCCC1)C(=O)c1ccccc1N1CCOCC1 69583845 ODQPQWSZXCXXJD-UHFFFAOYSA-N 302.418 2.785 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 69528077 XVSJZXDJKGISNA-UONOGXRCSA-N 322.474 2.925 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NOCc1ccccc1 69631247 IJPQDULDUIXGJG-LLVKDONJSA-N 302.378 2.529 0 40 DFAB O=C(c1ccsc1)N1CCCN(Cc2cscn2)CC1 69656067 ZVEAJMQIWRQAIZ-UHFFFAOYSA-N 307.444 2.553 0 40 DFAB CCc1nc(CS(=O)(=O)Cc2csc(C)n2)cs1 69656601 XKZDBZZKDRTRGB-UHFFFAOYSA-N 302.446 2.585 0 40 DFAB COc1ccc(NC(=O)c2cccc(C)c2)cc1-n1nnnc1C 69626065 WSPZEUOUOPPHTO-UHFFFAOYSA-N 323.356 2.540 0 40 DFAB Cc1cc(=O)[nH]c(SCC(=O)N(c2ccccc2)C(C)C)n1 17748520 HJWXUSHYBBDYHQ-UHFFFAOYSA-N 317.414 2.612 0 40 DFAB COc1cccc([C@@H](C)N2CCN(C(=O)c3ccoc3)CC2)c1 69705592 PMPPLQPPSIQGQN-CQSZACIVSA-N 314.385 2.807 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 72543598 CQESQVHOYSGMKL-MRXNPFEDSA-N 314.389 2.574 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](C)CNc2ccccc2)nn1C 84622473 BQHCCVLKXXVGDY-CYBMUJFWSA-N 300.406 2.774 0 40 DFAB CCc1oc(C(=O)OCc2nc(-c3ccncc3)no2)cc1C 95415220 OQZXKLDNUKGPCP-UHFFFAOYSA-N 313.313 2.952 0 40 DFAB COc1cc(F)c(C(=O)Nc2cccc3cn[nH]c23)cc1OC 95413833 NZYZLMCOQGIZTE-UHFFFAOYSA-N 315.304 2.972 0 40 DFAB COC(C)(C)CNC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 95418664 DUUICCSSCOXPPX-UHFFFAOYSA-N 316.405 2.643 0 40 DFAB COCCN1CC[C@@H](CNCc2ccc(F)cc2Cl)C1 95425763 YOHTVFJNNKLZDS-LBPRGKRZSA-N 300.805 2.537 0 40 DFAB O=C(N[C@H](CCO)c1cccs1)[C@@H]1OCCc2ccccc21 95445765 UFOSMIQOJOUOPF-GDBMZVCRSA-N 317.410 2.602 0 40 DFAB CS[C@@H](C)CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95977552 PZZWOVADVMXEMR-UFBFGSQYSA-N 320.817 2.563 0 40 DFAB Cc1cn2nc(N3CCC[C@H]3c3c(C)nn(C)c3C)sc2n1 75128697 OLPFOYDKKRNPSY-LBPRGKRZSA-N 316.434 2.791 0 40 DFAB C[C@H](NC(=O)c1ccnn1C)c1ccc(OCC2CC2)c(F)c1 89904716 DSNPDDMMMPUUAR-NSHDSACASA-N 317.364 2.839 0 40 DFAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@H]1CCCC[C@H]1C(=O)O 32610337 OPGBXYJFPJDKRS-QWHCGFSZSA-N 313.357 2.906 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1(C)C 72319292 AVCDXVMPHAFRCA-CABCVRRESA-N 311.389 2.839 0 40 DFAB Cc1cnc(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)o1 75738064 FXMOOQKMMJMMQM-VXGBXAGGSA-N 309.410 2.813 0 40 DFAB CSc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cn1 78556794 DHPAXQGWXUQUGN-UHFFFAOYSA-N 322.411 2.807 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 32915720 MNUGBNUUVVEEBV-HNNXBMFYSA-N 315.417 2.861 0 40 DFAB CCc1nccn1S(=O)(=O)c1ccc(Cl)c(Cl)c1 32610426 ANJRGUYPRWZIMA-UHFFFAOYSA-N 305.186 2.989 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CO)[C@@H]2c2cccc(F)c2)cc1 218570962 UPITURDJJDGSDJ-YESZJQIVSA-N 320.385 2.682 0 40 DFAB CCCc1csc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1 121271255 FJUSGEGCDNRDDC-JTQLQIEISA-N 311.407 2.513 0 40 DFAB Cc1nnc2ccc(C(=O)NCc3ccc(Cl)cc3)cn12 35219921 VJKOLFOFVHLFQQ-UHFFFAOYSA-N 300.749 2.621 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)cs1 72134270 ATOXTGVCQCGLPC-MRXNPFEDSA-N 322.430 2.805 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc2nccnc12 71280647 UCLDBSSIPZGRRW-LLVKDONJSA-N 323.356 2.824 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(C)n2C 74957509 VUHQWSXWVZJYRO-UHFFFAOYSA-N 323.352 2.921 0 40 DFAB Cc1cc(C(=O)CN2CCOC[C@H]2C)c(C)n1CC(F)(F)F 85786153 WOPPHMRISQPWAT-LLVKDONJSA-N 318.339 2.571 0 40 DFAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)C(C)C)CCCC2 225233876 MNPVWSNTKLKVAS-LBPRGKRZSA-N 311.447 2.897 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1 137162417 UMVOMUHVCVLPQR-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB CN(C)CCCN1C(=O)[C@H]2CC3=C(C[C@@H]2C1=O)C(C)(C)CCC3 18158495 DTTYFBUJAORCHB-GJZGRUSLSA-N 318.461 2.840 0 40 DFAB biogenic O=C(Cc1c[nH]c2ccc(F)cc12)NC1CCC(C(=O)O)CC1 195542001 DTKFTCHKRLVKHN-UHFFFAOYSA-N 318.348 2.609 0 40 DFAB NC(=O)C[C@@H](N)c1ccc(-c2ccc(Br)cc2)o1 44252987 HGHNADQEUHLCGS-SNVBAGLBSA-N 309.163 2.584 0 40 DFAB C[C@@H]1CN(C(=O)c2cncn2-c2ccccc2)CC2(CCC2)O1 573326503 JMQWXCOHQJWCPN-CQSZACIVSA-N 311.385 2.656 0 40 DFAB COC(=O)[C@@H](NCc1c[nH]nc1C)c1ccc(Cl)c(F)c1 97102493 LWJOSLPUDZOSIX-ZDUSSCGKSA-N 311.744 2.515 0 40 DFAB CCOC[C@@H]1CC2(CCN(C(=O)Cc3cccs3)CC2)CO1 96105890 MEXJRPJPTHXNDU-AWEZNQCLSA-N 323.458 2.725 0 40 DFAB COc1ccc(OCc2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1 95534116 MTNPDLKTYBQJOC-KRWDZBQOSA-N 324.384 2.749 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccon2)cc1Br 96500767 FDYGDVHFEWINHY-UHFFFAOYSA-N 317.164 2.546 0 40 DFAB O=C1NCCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl 49980353 QPMZKYGRJRZZKZ-SECBINFHSA-N 307.703 2.834 0 40 DFAB Cc1cc(Sc2nnc(CN3CCCC3)o2)nc(C2CC2)n1 95397823 VVQDCCKZDXHPLH-UHFFFAOYSA-N 317.418 2.792 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 95476434 IEMXRASVWCPFMU-QMMMGPOBSA-N 309.243 2.542 0 40 DFAB Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)C4=CCCC4)C[C@H]3O2)n1 96046175 DSUOCUGEBSRGNS-USXIJHARSA-N 313.401 2.574 0 40 DFAB C[S@](=O)CCNC(=O)Nc1cccc(N2CCCCCC2)c1 96435192 BZGRKQHWTAENJC-JOCHJYFZSA-N 323.462 2.567 0 40 DFAB O=C(c1cocn1)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1 247862613 NHENUGQYMWQTFE-CYBMUJFWSA-N 322.430 2.582 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nccnc1-c1cccc(C(=O)O)c1 257260965 LFFQKEXXPMOUBI-CQSZACIVSA-N 311.341 2.525 0 40 DFAB FC(F)Oc1cccc([C@@H]2CN(C[C@H]3CCOC3)CCO2)c1 253369571 FCWTURLUCOCMHD-DOMZBBRYSA-N 313.344 2.698 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCCn2nc(C)cc2C)n1 257339924 ZDTTZUVRHPWVAP-HNNXBMFYSA-N 315.421 2.675 0 40 DFAB Nc1cccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)c1 256053458 RNVWJYQDDYGVQI-MDZDMXLPSA-N 321.424 2.626 0 40 DFAB Cc1cc2nc(C3CCN(Cc4c[nH]nc4C)CC3)cc(C)n2n1 257291606 QHVHGTYFTDBOOM-UHFFFAOYSA-N 324.432 2.757 0 40 DFAB C[C@]1(O)CCN(Cc2ccccn2)C[C@@H]1Oc1cccc(F)c1 257328389 XFJSSLQQCIHAQR-ROUUACIJSA-N 316.376 2.625 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cc1F 257270361 MTWQRMPAJCBAPK-ZDUSSCGKSA-N 315.348 2.650 0 40 DFAB COc1ccc([C@@H](NCc2cnn(C)c2)C(F)(F)F)cc1F 390834007 QGXMVBIWENSDET-CYBMUJFWSA-N 317.286 2.961 0 40 DFAB CCNC(=O)Nc1cccc(F)c1C(=O)N1CCCCCC1 65595679 DNVVSMHEWYFESQ-UHFFFAOYSA-N 307.369 2.983 0 40 DFAB CC(C)(C)OC(=O)N1CC2(C1)CC(F)(C(C)(C)C(=O)O)C2 953089933 FUUJKPYOICGUMC-UHFFFAOYSA-N 301.358 2.836 0 40 DFAB O=C(C=Cc1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12 1875251665 WLZPAFGVOWCVMG-UHFFFAOYSA-N 322.364 2.951 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2COc3ccccc3C2)c1C 45786355 ZDMPGCGLUOKQLA-CQSZACIVSA-N 312.369 2.568 0 40 DFAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 48956796 LFJAVZYWHVHKEW-CQSZACIVSA-N 314.410 2.842 0 40 DFAB CCOc1ccc2c(c1)CCCN2S(=O)(=O)CCCF 95964168 DDWDZFPNJPLTGW-UHFFFAOYSA-N 301.383 2.527 0 40 DFAB C[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(N)=O)c1ccccn1 97324248 TUOFNVTVMPMLJT-LVQVYYBASA-N 310.357 2.265 0 40 DFAB Cc1cc(C)n2c(CNc3nnc(C(C)(C)C)o3)cnc2n1 97375377 NGILEVAEUVFJPI-UHFFFAOYSA-N 300.366 2.639 0 40 DFAB Cc1ccc(CCNC(=O)c2c[nH]nc2-c2ccccc2F)cn1 87350860 QWBXXRNBRBBWDN-UHFFFAOYSA-N 324.359 2.892 0 40 DFAB Cc1cccc(C)c1NC(=O)C[C@@H]1CSc2nccc(=O)n21 14031256 DLUGWCHSZQHUGB-GFCCVEGCSA-N 315.398 2.536 0 40 DFAB O=C(C1CCC1)N1CCC(c2nnc3n2CCCCC3)CC1 19015075 MANYRXUXAZCLPX-UHFFFAOYSA-N 302.422 2.511 0 40 DFAB CCCC[C@@H](c1nnnn1C1CCCC1)N1CCN(CC)CC1 19502112 DJHKUOOTKPCUCH-INIZCTEOSA-N 320.485 2.657 0 40 DFAB CC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 19755329 DJVYHZOYVXMOCJ-INIZCTEOSA-N 324.384 2.721 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)c12 169680648 WTPPIYXLOBATQA-BMFZPTHFSA-N 310.397 2.978 0 40 DFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 4564790 YGGZNCISJNAALW-ATVHPVEESA-N 323.348 2.590 0 40 DFAB O=c1nc2n(c3ccccc13)Cc1ccccc1C21CCOCC1 27986553 NEWAUORBBPXOGF-UHFFFAOYSA-N 318.376 2.855 0 40 DFAB Cc1ccc(C)c(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 3318428 GBEGMQAAPDRIFS-ZIAGYGMSSA-N 303.402 2.965 0 40 DFAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2cccc(F)c2)c1 9479079 HQRWZBNIRBINNX-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB COc1ccc(CC(=O)NCCc2cccc(F)c2)cc1F 7125634 PYUVPJVWCXEFGN-UHFFFAOYSA-N 305.324 2.875 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2ccc(C(C)(C)C)nn2)CC1 2087121022 RAMUDZLJBPBHAI-UHFFFAOYSA-N 318.465 2.905 0 40 DFAB C[C@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccco1 75156224 MEZBVSGLDODSTP-KRWDZBQOSA-N 312.325 2.572 0 40 DFAB CC(C)CO[C@H](C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 40091975 QIINBYRKBZOKTG-CJNGLKHVSA-N 310.413 2.606 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)/C=C/c2cccs2)c1 40090900 YGMAIODKWZZAAI-BQYQJAHWSA-N 311.370 2.684 0 40 DFAB NC(=O)[C@@H](NCC1(c2ccccc2)CCOCC1)c1ccccc1 30508386 AZCYYGRWLFSSAA-SFHVURJKSA-N 324.424 2.551 0 40 DFAB COCCOCC(=O)Nc1nc(C)c(-c2ccccc2)s1 31968041 MUZVAPHWLIIQJQ-UHFFFAOYSA-N 306.387 2.720 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(F)(F)F)c12 32900968 OCNYQWZPUMANIY-UHFFFAOYSA-N 314.311 2.692 0 40 DFAB O=C(NC(NC(=O)c1ccco1)c1ccccc1)c1ccco1 376338 NMUNOHLFNQNZPD-UHFFFAOYSA-N 310.309 2.731 0 40 DFAB COC(=O)c1ccc(NC(=O)CNc2ccc(C)c(F)c2)cc1 21887720 MSQDEJAISUYGAG-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB CC1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 42842 GXBTYBXVXAEZQO-CQSZACIVSA-N 306.793 2.704 0 40 DFAB COC(=O)c1ccc(NC(=S)Nc2cc(C)ccn2)cc1 134289 RKXJXWJNOMVONV-UHFFFAOYSA-N 301.371 2.986 0 40 DFAB CCS[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nn(C)c1C 79000956 NHHQUXSHQSUDNU-GJZGRUSLSA-N 309.479 2.760 0 40 DFAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCCC1)CC2 96466512 LSAIVNGRNZPYCW-JTQLQIEISA-N 313.323 2.531 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)NC[C@@H]1CCCO1 2778996 WXSRDSDBIHHFSA-IUCAKERBSA-N 321.755 2.639 0 40 DFAB COCc1nc(-c2ccc(F)c(CCNC(C)=O)c2)cs1 96455538 SNEDISHFNOALHC-UHFFFAOYSA-N 308.378 2.774 0 40 DFAB CO[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 6403266 ASGRTYKWASRDOG-YIOZNXECSA-N 324.332 2.708 0 40 DFAB Cc1ccc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)s1 96474776 NOXOUJRYTHJQGE-AWEZNQCLSA-N 317.414 2.814 0 40 DFAB COc1ccccc1CNC(=O)NCc1ccc([C@H](C)O)cc1 53755791 TYAOZUTUQOSFAC-ZDUSSCGKSA-N 314.385 2.748 0 40 DFAB O[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1cc(F)ccc1F 71875272 NINJVFNNGHCLPC-YOEHRIQHSA-N 321.371 2.749 0 40 DFAB Cc1c(C)n(C[C@@H](O)CN2CCOCC2)c2c(Cl)cccc12 12421924 OOKJRMITCIJHJP-AWEZNQCLSA-N 322.836 2.605 0 40 DFAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc2[nH]nnc2c1 47678335 DTROQNHDJYRRFC-UHFFFAOYSA-N 322.303 2.535 0 40 DFAB O=C(C1CCC1)N1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100160265 MXDPEQMQDIZGSU-HOTGVXAUSA-N 303.377 2.967 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1Cc1ccco1 25374985 GXOWFMKBBGZLCS-OKILXGFUSA-N 316.401 2.996 0 40 DFAB Cc1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1 26288059 KOBZXIYSTCEYIL-UHFFFAOYSA-N 308.385 2.685 0 40 DFAB CCc1n[nH]c(S[C@H](C)C(=O)N2CCCc3ccccc32)n1 26420971 FFBGNTWZVGFQOF-LLVKDONJSA-N 316.430 2.827 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)C1 108131525 XBDMTLHOZGGCSG-JHJVBQTASA-N 302.484 2.613 0 40 DFAB CSc1ccc(-c2noc(CN3CCC(=O)CC3)n2)cc1 57427685 SQRHQEPZEBRGTE-UHFFFAOYSA-N 303.387 2.623 0 40 DFAB Cc1noc(C)c1CNc1ccc(-c2nnnn2C2CC2)cc1 26782962 BOPJRWOYMGSHFW-UHFFFAOYSA-N 310.361 2.892 0 40 DFAB CCCn1c(N)c(Sc2ccccc2)c(=O)n(CCC)c1=O 3249223 BPSNIISFBUZYCL-UHFFFAOYSA-N 319.430 2.563 0 40 DFAB CCCN(CC(F)(F)F)C(=O)NCc1ccc2c(c1)OCO2 58004187 ZMHWAGPHABQLFU-UHFFFAOYSA-N 318.295 2.899 0 40 DFAB COCCOc1cccc(-c2nc3ccsc3c(=O)[nH]2)c1 58178628 PISUOFSDDDGYRG-UHFFFAOYSA-N 302.355 2.677 0 40 DFAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cccn2)cc1 58178625 WAALPVLNDXAODI-HNNXBMFYSA-N 315.417 2.808 0 40 DFAB Cc1ccccc1C(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 58299970 DGJHWVOKGZBPOX-IYBDPMFKSA-N 303.402 2.795 0 40 DFAB C[C@]1(C(=O)NCCc2nccn2C(F)F)CC1(Cl)Cl 58265020 XIRMKTCXCIVLPX-SNVBAGLBSA-N 312.147 2.521 0 40 DFAB COc1ccccc1[C@@H](NC(=O)c1ccccc1)c1nccn1C 12601850 VLFIQSSRAAOSBW-QGZVFWFLSA-N 321.380 2.948 0 40 DFAB O=C(CCNc1ncccn1)N1CCC[C@H]1c1ccsc1 48251742 WTQUYKSLCZCTQQ-ZDUSSCGKSA-N 302.403 2.704 0 40 DFAB O=c1oc2cc(Cl)ccc2n1CN(C[C@H]1CCOC1)C1CC1 44979241 GWEJJFPPXVEDDF-LLVKDONJSA-N 322.792 2.706 0 40 DFAB COc1ncccc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 48250354 VGYFEFUNCCECFY-CYBMUJFWSA-N 314.389 2.737 0 40 DFAB COC(=O)Cn1c(-c2ccccc2)nc2c1CC(C)(C)CC2=O 20674272 SHCNVDOBSAKHCO-UHFFFAOYSA-N 312.369 2.878 0 40 DFAB O=C(Nc1cccnc1N1CCCCC1)c1cc(C2CC2)[nH]n1 58305372 WEBMFKKOCMGIRT-UHFFFAOYSA-N 311.389 2.925 0 40 DFAB c1ccc2nc(N3CCCN(c4nccs4)CC3)cnc2c1 58413253 DHMXOYNDZVTDCD-UHFFFAOYSA-N 311.414 2.803 0 40 DFAB CC(=O)c1cccc(OCCCC(=O)N2CCOCC2(C)C)c1 58696896 ZBMYVHNVFFEVCP-UHFFFAOYSA-N 319.401 2.686 0 40 DFAB O=C(CSc1nncs1)N(Cc1ccccc1)C1CC1 59370154 VPUGREFWXWPEPG-UHFFFAOYSA-N 305.428 2.821 0 40 DFAB Cc1cccc2c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c12 2583104 JCBJFQWNCYKIEX-CYBMUJFWSA-N 318.373 2.997 0 40 DFAB C[C@@H](NC(=O)COC1CCCCC1)c1ccc2c(c1)CC(=O)N2 46225097 UIPHNSLYLAKPCD-GFCCVEGCSA-N 316.401 2.708 0 40 DFAB O=C(CCNC(=O)c1ccsc1)Nc1cc(F)cc(F)c1 12919899 PTEYJHTZCGXHDV-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB C[C@@H](NC(=O)COc1cc2ccccc2cc1C(=O)O)C1CC1 13317853 YWIDJYDYYOEAGM-LLVKDONJSA-N 313.353 2.832 0 40 DFAB CS[C@H]1CC[C@H](NCc2cn(C)nc2-c2ccncc2)C1 96494373 OTBBGKBXDCXDGK-GJZGRUSLSA-N 302.447 2.856 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)o1 65474566 CKUWUZPAUDVGCX-STQMWFEESA-N 306.406 2.802 0 40 DFAB COc1ccc(F)cc1[C@@H](C)Nc1cncc(-n2cccn2)n1 65498243 CAFJGMMQQGOAKW-LLVKDONJSA-N 313.336 2.983 0 40 DFAB Cc1cccc(-c2nnc(S[C@H]3CCCCNC3=O)n2C)c1 14184662 BUYCGFNOVPWDDX-ZDUSSCGKSA-N 316.430 2.551 0 40 DFAB CN(C)C(=S)SCC(=O)N[C@@H]1CCCc2ccccc21 6544191 AVUJBKVGNGTCEM-CYBMUJFWSA-N 308.472 2.760 0 40 DFAB COc1cc(C(=O)OCc2nc(N)c3ccccc3n2)ccc1C 9117579 ZCROAMONKFQTSC-UHFFFAOYSA-N 323.352 2.886 0 40 DFAB Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1N1CCOCC1 5533161 UMMNVDVTZLPRRW-UHFFFAOYSA-N 324.306 2.702 0 40 DFAB COC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 6767148 PAEZQNZTTZSTGG-UHFFFAOYSA-N 320.348 2.745 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(F)cc1 14848388 QWTJHXZTPSNBNI-UHFFFAOYSA-N 309.344 2.870 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)c1nc2ccccc2c(=O)[nH]1 5902739 NAHFWSCWWNFOMF-SNVBAGLBSA-N 323.381 2.819 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)C3CC3)C2)c1 68103724 OIUGJOMSUDSZCR-AWEZNQCLSA-N 315.417 2.860 0 40 DFAB COC(=O)c1ccccc1NC(=O)CN(C)Cc1ccsc1 7926914 IZYRBMYIYJFJKC-UHFFFAOYSA-N 318.398 2.605 0 40 DFAB C[C@@H](CC[C@H]1CCCO1)NS(=O)(=O)Cc1cccc(F)c1 68908094 KTMXBWRHZDAARZ-SWLSCSKDSA-N 315.410 2.593 0 40 DFAB O=C(CCc1cccs1)N1CCCC[C@H]1Cn1cccn1 71865023 PVOMUKLIILMXGT-AWEZNQCLSA-N 303.431 2.959 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c(F)cccc2s1 71829848 FWNSLFUFNYZBRR-VHSXEESVSA-N 320.389 2.766 0 40 DFAB COCCN(Cc1ccc(C)o1)Cc1cccc2c1OCO2 93707173 OLBRXDHYRJTTLT-UHFFFAOYSA-N 303.358 2.965 0 40 DFAB O=C(NCCn1ccnc1)c1cc(-c2cccc(Cl)c2)no1 69566069 FVEMMRMVSXZDGS-UHFFFAOYSA-N 316.748 2.622 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 69530369 JVRUGWGHDYATCY-INIZCTEOSA-N 308.466 2.968 0 40 DFAB CCn1ccnc1CN1CCN(CCc2cccs2)C[C@@H]1C 69615193 NPJNDYLFVYMXSB-HNNXBMFYSA-N 318.490 2.713 0 40 DFAB O=C(CCN1CCC(CO)CC1)Nc1cccc2ccccc12 69631209 AYIRPLJITKAAOF-UHFFFAOYSA-N 312.413 2.873 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)cn1 69738797 UUBRHNJMNQEBRB-ZDUSSCGKSA-N 317.414 2.532 0 40 DFAB Cc1cc(Cl)cc(C(=O)N2CCC(n3ccnn3)CC2)c1 97032056 PYBBCAZTPIGWIK-UHFFFAOYSA-N 304.781 2.717 0 40 DFAB COC(=O)c1ccc(-c2noc(-c3cnc(C)s3)n2)cc1 72274977 FULGSPILHVVZPB-UHFFFAOYSA-N 301.327 2.955 0 40 DFAB CCC(=O)N1CCCN(Cc2cc(Cl)ccc2OC)CC1 72272627 RFAVINKWFSZCCG-UHFFFAOYSA-N 310.825 2.793 0 40 DFAB O=C(N1CC[C@@H](Oc2ccncc2)C1)C1(c2ccccc2)CC1 84525079 FMXQDNKLWCFTDV-QGZVFWFLSA-N 308.381 2.793 0 40 DFAB CC[C@@H](C(=O)NCCc1coc(-c2ccc(C)cc2)n1)N(C)C 84718731 NMIUNEJPMNVTQS-INIZCTEOSA-N 315.417 2.649 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCC[C@H](C)C1)CC2 95401328 MIFZLCUHVKEXME-XUWVNRHRSA-N 309.450 2.591 0 40 DFAB CC[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)c1noc(C)n1 95427592 GHCTVLVAFLADDR-BXUZGUMPSA-N 323.418 2.552 0 40 DFAB CN(C)C(=O)COc1ccccc1CNc1ccc2[nH]ncc2c1 95440154 ZIJHVCBIBXSEBT-UHFFFAOYSA-N 324.384 2.642 0 40 DFAB CC(C)Oc1ccc(C(=O)OC2CCC3(CC2)OCCO3)cn1 95450763 OMGLXQDYBJNNNG-UHFFFAOYSA-N 321.373 2.711 0 40 DFAB O=C(CCn1cccn1)N[C@@H]1CCCOc2cc(Cl)ccc21 95987139 DBRNPKJGVBMZMR-CQSZACIVSA-N 319.792 2.957 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1c1nccs1 95949144 QSYDNZKVMARTII-JTQLQIEISA-N 320.443 2.696 0 40 DFAB CSc1ccc(/C=C2/SC(=O)N(CN(C)C)C2=O)cc1 408724318 AYSKORZTCHGLGP-XYOKQWHBSA-N 308.428 2.964 0 40 DFAB Cc1nc(C2CCN(c3cncc(Br)c3)CC2)no1 89718248 SMIGTRDGRSMNKZ-UHFFFAOYSA-N 323.194 2.920 0 40 DFAB CCOC(=O)c1cccc(NC(=O)Nc2c(C)n[nH]c2C)c1 89861615 MPUAUGKJBFOGAV-UHFFFAOYSA-N 302.334 2.847 0 40 DFAB O=C(NC1CCC(C(F)(F)F)CC1)N1CCOC[C@@H]1C1CC1 89888990 NDFRYUOCDUQEGY-WXRRBKDZSA-N 320.355 2.928 0 40 DFAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C2CC2)c2ccccc21 69055655 JAFVWRIABDTFFU-IBGZPJMESA-N 319.364 2.546 0 40 DFAB Cc1cccc(-c2nc(C(N)=O)nn2-c2ccc(C)c(C)c2)c1 408695015 OATFYROCRJUMQP-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C)c1 74923487 XBRXQUOXLWACOI-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB CCCN1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216540 ARDCAJDZZRFHDR-QGZVFWFLSA-N 302.466 2.770 0 40 DFAB Cc1c(N[C@H](C(N)=O)c2ccccc2)cnn1-c1ccccc1F 126748939 AHXRRLIAAVVUNW-KRWDZBQOSA-N 324.359 2.958 0 40 DFAB Cn1cc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1 78655927 XYYBIWNYHCVSIF-LSDHHAIUSA-N 303.793 2.536 0 40 DFAB Cc1nn(C)cc1C(=O)N1CCN(CC2CC2)c2ccccc21 73304232 WBMQQMTXABIJEJ-UHFFFAOYSA-N 310.401 2.605 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)n2nnc3cc(C)ccc32)c1 41095950 SUONNPSATYELLN-UHFFFAOYSA-N 301.371 2.594 0 40 DFAB COc1cccc2ccc(CN3C[C@@H]4CCCN4C[C@H]3C)nc12 72324686 NWKYCNGZJOCDCF-PBHICJAKSA-N 311.429 2.912 0 40 DFAB O=C(Nc1ccc(-n2cccn2)cc1)N1CCOC[C@H]1C1CC1 89856663 CWBAXVGPDJWTJK-INIZCTEOSA-N 312.373 2.515 0 40 DFAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3cccnc3)CC2)n1 41122054 UORAMNYYQKIVKU-GFCCVEGCSA-N 314.389 2.998 0 40 DFAB O=C(CCn1ccnn1)N1CC2(CCCC2)[C@@H]1c1ccccc1 568480083 IAYQHSVRIMPVBL-KRWDZBQOSA-N 310.401 2.812 0 40 DFAB CCN(CC(C)(C)O)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C 135922718 NSCRHRZCBKZAIH-GFCCVEGCSA-N 324.469 2.810 0 40 DFAB C[C@H]1CCCN(C(=O)[C@H](C)Oc2nn(C)c3ccccc23)C1 226755086 ZACLJXKWRADWBE-STQMWFEESA-N 301.390 2.599 0 40 DFAB COc1ncc(NC(=O)Nc2cc(Cl)ccc2OC)cn1 224288693 BWZJVKQVFUNLSB-UHFFFAOYSA-N 308.725 2.791 0 40 DFAB CCC[n+]1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 226774130 FIDPLOBZPPKXCS-UHFFFAOYSA-N 314.316 2.569 0 40 DFAB O[C@@H](CSCc1nc(-c2ccccc2)no1)C(F)(F)F 195578417 DQHHODUWCKKHDZ-VIFPVBQESA-N 304.293 2.893 0 40 DFAB C[C@@H]1CCSCCN1C(=O)NCc1ccc(CN(C)C)cc1 190562766 LCBJKKMVNXPJGQ-CQSZACIVSA-N 321.490 2.785 0 40 DFAB O=C(NCCc1cncnc1)C(c1ccccc1)c1ccccc1 225589300 ZPTTVEMSDWEQEY-UHFFFAOYSA-N 317.392 2.967 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232694 ZKYSTVVEKQEUSZ-HNNXBMFYSA-N 321.384 2.752 0 40 DFAB COc1ccc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c(OC)c1 96439135 FCNOVOWIVXSHFC-HUUCEWRRSA-N 316.401 2.811 0 40 DFAB Cc1cc(CN2CCC(N3CCCNC3=O)CC2)ccc1F 93669118 RELXLBNGCNCPRY-UHFFFAOYSA-N 305.397 2.514 0 40 DFAB CC(C)C[C@H](N[C@@H]1CC[C@H](C)C1)c1nc(-c2nc[nH]n2)no1 97035063 ZIZDLUOGQKDDBO-TUAOUCFPSA-N 304.398 2.720 0 40 DFAB C[C@@H](Nc1ccn(Cc2ccccn2)n1)c1nc(C2CC2)no1 95409837 KSRSTJLWZYDDOM-LLVKDONJSA-N 310.361 2.760 0 40 DFAB COc1cccc(CC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 97372197 YXFHXXXTGVVMRK-KRWDZBQOSA-N 303.402 2.655 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)ccn3)CC(=O)N2C)cc1 96181279 JMAQCFHRFJFFLA-MAUKXSAKSA-N 323.396 2.857 0 40 DFAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCSc2ccccc21 97159704 FNUUUIUWRZTTRI-MRXNPFEDSA-N 317.458 2.819 0 40 DFAB O=S1(=O)N=C(Nc2cc(Cl)ccc2O)c2ccccc21 95470281 LMSVZJHDFNOVCE-UHFFFAOYSA-N 308.746 2.607 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cccs1 252572018 YTRZUXHJJZQZQP-HAQNSBGRSA-N 303.387 2.658 0 40 DFAB CNc1cncc([C@H]2CCCN2Cc2nc3ccccc3n2C)n1 257318452 VNZJEMKZFNFHPY-MRXNPFEDSA-N 322.416 2.742 0 40 DFAB Cc1cc([C@H]2CN(C(=O)CCC3CCCC3)CCO2)nc(C)n1 257210576 BVFSBWCBJZODLM-QGZVFWFLSA-N 317.433 2.964 0 40 DFAB NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCC23CCC3)c1 282669496 JAGFGSLYYTUKCQ-IRXDYDNUSA-N 313.445 2.881 0 40 DFAB COc1cccc(-c2nnn(Cc3cccc4cccnc34)n2)c1 25820440 OBWYTTAPYSGPSZ-UHFFFAOYSA-N 317.352 2.945 0 40 DFAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H](C)S(C)(=O)=O 71920741 GLOOTYGTMQRGAB-UONOGXRCSA-N 323.458 2.809 0 40 DFAB CNC(=O)CCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 51469259 VFFOQIMOIGAOEP-UHFFFAOYSA-N 317.216 2.523 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NC[C@]1(O)CCSC1 95423574 OCXQJDIZONDMKN-IINYFYTJSA-N 301.839 2.867 0 40 DFAB Cc1cccc(Nc2ncc(F)c(N3CCN(C)CC3)n2)c1C 566644 DDSAOSMUGQAPFI-UHFFFAOYSA-N 315.396 2.728 0 40 DFAB CC(C)(Br)[C@]1(O)CCCN1C(=O)c1ccccc1 5715114 SFTAJGVFLUGLSN-CQSZACIVSA-N 312.207 2.785 0 40 DFAB CSc1nnc(CNC(=O)c2ccc(C(C)C)cc2)n1C 5001728 DHMBOKGVAKPLRE-UHFFFAOYSA-N 304.419 2.590 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccoc2C)c1 5398735 JFXQJOOWOBJNHZ-UHFFFAOYSA-N 304.298 2.645 0 40 DFAB O=C(CCN1CCCCCC1)Nc1ccc2c(c1)OCCO2 5636280 RUHRDJBUKDTMDD-UHFFFAOYSA-N 304.390 2.662 0 40 DFAB O=C(NC1(c2ccccc2)CC1)c1cccc(-n2cnnc2)c1 12362009 KSONKVYQEMEJGO-UHFFFAOYSA-N 304.353 2.686 0 40 DFAB Cc1ccc2[nH]cc(NC(=O)NCc3ccncc3)c(=O)c2c1 13565937 IVVMHEBCVYDGEG-UHFFFAOYSA-N 308.341 2.553 0 40 DFAB CCC(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 19499279 PZURDOYLGIESME-UHFFFAOYSA-N 316.445 2.717 0 40 DFAB O=C(O)/C=C\C(=O)N(c1ccccc1)c1ccccc1C(=O)O 4713056 FJJMRVGOAQQWDQ-KHPPLWFESA-N 311.293 2.690 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)N(C)c1ccccc1 3521856 AYCARZXRMSFUDO-GFCCVEGCSA-N 312.398 2.873 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1CCC1 5507497 VYKUVMOMJMLCNG-UHFFFAOYSA-N 311.765 2.939 0 40 DFAB O=C(Nc1ccccc1F)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888859887 HSZCBINTUIVRTH-CHWSQXEVSA-N 303.381 2.774 0 40 DFAB CCc1ncnc(N2CCC(N(C)c3ccccn3)CC2)c1F 1889091557 CNQBYQLOFKRSCS-UHFFFAOYSA-N 315.396 2.678 0 40 DFAB Cc1nc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)co1 1848740850 HGDSLCVVYNAUSO-UHFFFAOYSA-N 321.812 2.527 0 40 DFAB COc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1OC 4479343 YGFWSLUFHXXQIZ-UHFFFAOYSA-N 320.370 2.924 0 40 DFAB C[C@@H]1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 5115889 QOAXSEARPHDXFC-SNVBAGLBSA-N 320.352 2.796 0 40 DFAB CCCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccoc2)cc1 206664030 JSMKKKBFNAFIBS-CYBMUJFWSA-N 323.414 2.978 0 40 DFAB COc1cc(C(=O)O)cc(OC)c1OC(=O)c1cc(C)c(C)o1 22130722 WEQNZXMHTIBUAR-UHFFFAOYSA-N 320.297 2.831 0 40 DFAB Nc1cc(N)nc(SCc2cc(F)cc3cccnc23)n1 40432852 WPNMFUWETJQLDN-UHFFFAOYSA-N 301.350 2.621 0 40 DFAB Fc1cc(COc2ccc(-n3cnnn3)cc2)c2ncccc2c1 31608357 FOAVFROQDPKOIS-UHFFFAOYSA-N 321.315 2.929 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)no1 31657050 BYQFLNGXWAEBFB-UHFFFAOYSA-N 320.414 2.683 0 40 DFAB Cc1ncsc1C(=O)NCc1ccc(N2CCCCC2)nc1 40541101 VBWACNGNZGYTJX-UHFFFAOYSA-N 316.430 2.767 0 40 DFAB CSCCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 21194498 IYNFNRVWBPLXAZ-UHFFFAOYSA-N 318.398 2.901 0 40 DFAB CCNC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 325014 FQFDZJIIBIEJAS-GFCCVEGCSA-N 318.352 2.785 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc[nH]c2=O)C2CC2)o1 52775362 JYHTWVGHXOGMBX-XHDPSFHLSA-N 312.369 2.896 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)no1 70842313 UJKHKZKTOVPGRM-LLVKDONJSA-N 318.377 2.763 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 355255 ZWQFPOZFWKRNRG-XHSDSOJGSA-N 314.404 2.796 0 40 DFAB COc1ccc(CN(C)C(=O)Cn2ccnc2C(C)C)cc1F 97053436 DODMYPAFRVGPGR-UHFFFAOYSA-N 319.380 2.813 0 40 DFAB O=C1/C(=C/c2ccc(OC(F)F)cc2)N=C(S)N1C1CC1 2788937 WOLOAAPBMACKJC-XFFZJAGNSA-N 310.325 2.919 0 40 DFAB COc1ccccc1C(=O)N1CCN(Cc2ccc(C)cc2)CC1 19210266 YHUQRKHVPGAXGR-UHFFFAOYSA-N 324.424 2.962 0 40 DFAB c1cnn(-c2cncc(NCCOc3ccc4c(c3)CCC4)n2)c1 77524974 ANSFRZQSABTZQX-UHFFFAOYSA-N 321.384 2.642 0 40 DFAB COc1ccc(NC2=NCC(=O)N2c2ccccc2)c(OC)c1 1360489 RVZGPPMUNFGEON-UHFFFAOYSA-N 311.341 2.519 0 40 DFAB Cc1nc(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)cs1 78383659 JEBKSXZXOXDDTJ-NXEZZACHSA-N 307.419 2.698 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)NCc2ncc(C(C)(C)C)o2)C1(C)C 78973957 HASXFJXDOQHUGS-VXGBXAGGSA-N 323.437 2.975 0 40 DFAB COC(=O)[C@H](C)CC(=O)Nc1nc2c(s1)CCCCCC2 79110295 MONGQKJRFIZZLD-SNVBAGLBSA-N 310.419 2.940 0 40 DFAB NC(=O)c1cccc(CSc2nnc(NC3CC3)s2)c1 47438861 QQLNTNYXSBLYEQ-UHFFFAOYSA-N 306.416 2.504 0 40 DFAB Cc1ccsc1CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1 47531992 GSEBOCVKKGJOQH-ZDUSSCGKSA-N 316.426 2.833 0 40 DFAB CN(C)/C=C1\CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O 3118904 VRHWZRGPLMYWIZ-BQYQJAHWSA-N 319.714 2.936 0 40 DFAB O=C(Nc1ccc(-n2cncn2)nc1)c1c(F)cccc1Cl 12538055 KGQCQLZQOLJZDU-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20725845 LWJADARKRKJDRJ-LBPRGKRZSA-N 303.343 2.621 0 40 DFAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CCCc1ccc(O)cc1 107075859 QKBJJQKYIJPFRU-CVEARBPZSA-N 318.461 2.952 0 40 DFAB COc1ccc(CNC(=O)NCCc2ccccc2)c(OC)c1 56341869 PBJWEMUTXXXOKG-UHFFFAOYSA-N 314.385 2.746 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccc(F)cc1F)c1ccccc1 3270444 WZZZQGDQKQVTLE-NSHDSACASA-N 319.307 2.999 0 40 DFAB CCc1noc([C@H](C)N2CCN(Cc3cccc(C)c3)CC2)n1 44335236 RSHVWOZKHKIAFX-HNNXBMFYSA-N 314.433 2.819 0 40 DFAB Cc1cccc(N2CCN(C(=O)N[C@H](C)C3CC3)CC2)c1C 10082627 RKRNLHHYKFWLDT-OAHLLOKOSA-N 301.434 2.934 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCO[C@@H](C)C3)cc12 24831021 ZXKSFJUOWMRYBG-NSHDSACASA-N 321.446 2.923 0 40 DFAB O=C(COc1ccc(CO)cc1)NCc1ccccc1Cl 3398998 MFMBPIPDWIQSJL-UHFFFAOYSA-N 305.761 2.528 0 40 DFAB CO[C@@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccccc1 58223876 ULMOLPXBOVSGJB-QGZVFWFLSA-N 322.368 2.653 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1 58245472 KJZIYGRLKUQYNX-NWDGAFQWSA-N 323.393 2.549 0 40 DFAB Cc1occc1C(=O)n1cc(C(=O)c2cc(F)ccc2O)cn1 3348538 PIEGXMVADYKAFA-UHFFFAOYSA-N 314.272 2.549 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)no1 58230653 ZFCJUWKGTXTPCH-GFCCVEGCSA-N 302.378 2.742 0 40 DFAB Cc1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)oc1C 58342883 IXGPXSXYDAABJQ-GFCCVEGCSA-N 322.430 2.888 0 40 DFAB CC(C)c1ccc(OCCC(=O)NCCc2cnn(C)c2)cc1 58341850 OYGUPIFQGWODJH-UHFFFAOYSA-N 315.417 2.671 0 40 DFAB COc1cc(C(=O)NO[C@@H]2CCCCO2)cc(Cl)c1OC 58418402 YODOWWHMKOBUQV-GFCCVEGCSA-N 315.753 2.545 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(C(N)=O)c1 36391532 RQAFYQWAEKPNKD-LLVKDONJSA-N 316.788 2.800 0 40 DFAB CNC(=O)c1cccc(NC(=O)CCOc2cccc(C)c2)c1 36741877 AAAJXNQQSFYFOC-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB O=C(O)c1nnn(-c2ccc(F)c(Cl)c2)c1-c1ccncc1 62267581 JCUYJMFMTOFFSM-UHFFFAOYSA-N 318.695 2.820 0 40 DFAB Cc1c(Br)c(C(=O)Nc2ccc(F)cc2)nn1C 28225244 ZDEMZDARLNMUOB-UHFFFAOYSA-N 312.142 2.882 0 40 DFAB CCONC(=O)c1cc(C)nc2cc(Br)ccc12 48345863 JRLBLKVSZUVIFV-UHFFFAOYSA-N 309.163 2.987 0 40 DFAB COC(=O)[C@H](NC(=O)Cc1ccc(C)s1)c1ccccc1 60317810 UGNLXMGIMKSXSN-OAHLLOKOSA-N 303.383 2.630 0 40 DFAB COC(=O)c1ccc(N[C@H](C)c2cc(F)ccc2OC)nn1 48332307 ZDWHTOBGSJAGHW-SECBINFHSA-N 305.309 2.584 0 40 DFAB CCCCc1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 12975456 KSTPNRSXWGKYEI-AWEZNQCLSA-N 300.402 2.661 0 40 DFAB COc1cccc(-c2noc([C@H](C)NC[C@@H]3CCCCO3)n2)c1 97374552 KIKXMMKXGSZYST-WFASDCNBSA-N 317.389 2.965 0 40 DFAB O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccccn1 13689830 ULUAVDSNEVMHQS-UHFFFAOYSA-N 312.247 2.998 0 40 DFAB Cc1nnc2n1N=C(Nc1ccc(Br)cc1)CS2 6257241 QKXIUXHVRKJFKK-UHFFFAOYSA-N 324.207 2.728 0 40 DFAB CN(Cc1cccc(F)c1)Cc1nc(=O)c2sccc2[nH]1 14018347 UMXZODAATJKBMD-UHFFFAOYSA-N 303.362 2.756 0 40 DFAB C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 14181338 AREMQDNGBDCQAO-ZDUSSCGKSA-N 317.410 2.722 0 40 DFAB Cc1nn(C)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 14140643 NJZZNMPTZJADLO-UHFFFAOYSA-N 315.354 2.924 0 40 DFAB CCOC(=O)N1CCC(Nc2ncnc3ccsc23)CC1 9389045 FWJGLYBDOUWPSK-UHFFFAOYSA-N 306.391 2.724 0 40 DFAB COc1ccc(/C=C/C(=O)NOCc2ccccc2)cc1OC 8096655 KDSHOHRCKIZYFG-PKNBQFBNSA-N 313.353 2.965 0 40 DFAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@@H]1CCCN1 81659169 GEEDMRAUNSANFQ-VIFPVBQESA-N 321.577 2.932 0 40 DFAB C[C@H]1CN(CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 69452016 PZXATEVZOCNINH-IYBDPMFKSA-N 316.445 2.648 0 40 DFAB Cc1sc2ncnc(N3CCC[C@H]3Cn3cncn3)c2c1C 69621009 FNRKWZIYOGVWLT-LBPRGKRZSA-N 314.418 2.569 0 40 DFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccc(F)cc1 69667111 SKJBAIORVIUKJL-QGZVFWFLSA-N 312.388 2.931 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc[nH]1 71818722 LKWZFCALNATUKO-OAHLLOKOSA-N 312.369 2.692 0 40 DFAB Cc1ncsc1CCN1CCN(CCc2cccs2)CC1 71915642 VBKHNBADCANFLN-UHFFFAOYSA-N 321.515 2.916 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H](CCO)C1CC1 97599111 XNGCJNJMNIISQZ-LBPRGKRZSA-N 302.296 2.988 0 40 DFAB Clc1cccc2[nH]c(-c3cnc(N4CCOCC4)nc3)nc12 95442593 SYZKUGWNOPHHCW-UHFFFAOYSA-N 315.764 2.510 0 40 DFAB C[C@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1 95442669 MRAXMHMTVDXJHS-ZBEGNZNMSA-N 306.337 2.687 0 40 DFAB Cc1ncc(CNC(=O)N2CCC[C@@H]2c2ccncc2)s1 98118996 ZZBNZAISDJHGCA-CQSZACIVSA-N 302.403 2.893 0 40 DFAB CO[C@H](CNc1cccc(C2OCCO2)n1)c1ccccc1 95997104 RUDDBBYNTFWZHX-OAHLLOKOSA-N 300.358 2.927 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nnn[nH]3)C2)s1 95976965 GNOGPJSQVREGFK-SNVBAGLBSA-N 319.434 2.579 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ncc(C(C)C)o1 95983630 FPXOENIEJGFXHN-AWEZNQCLSA-N 318.421 2.722 0 40 DFAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCc2ccccc2)C1 95999958 GGSAAWLIXXFJHY-INIZCTEOSA-N 312.417 2.790 0 40 DFAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@H]3C=CCCC3)C2)o1 89289606 JEOFKKUKNYNYNR-JKSUJKDBSA-N 317.433 2.769 0 40 DFAB CN1CCN(C2CCN(c3nc4ccccc4s3)CC2)C1=O 75128558 HALRVLZYIHNSMW-UHFFFAOYSA-N 316.430 2.633 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)c2cc(C)nc3ncnn23)C1(CC)CC 75106994 VGFHKJBKXBRTSF-ZIAGYGMSSA-N 317.437 2.853 0 40 DFAB C[C@@H]1CCN(c2nn3c(=O)ccnc3s2)[C@H]2CCCC[C@@H]21 75103485 GFFWRYRWMGFMEP-UTUOFQBUSA-N 304.419 2.556 0 40 DFAB Cc1cscc1C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 89708899 ZNZGPNOCPFQWLO-AWEZNQCLSA-N 323.439 2.572 0 40 DFAB Cc1nc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)no1 89718097 QAXDGPJMNHRBSC-SNVBAGLBSA-N 303.337 2.816 0 40 DFAB O=C(O)[C@@H]1CCC(=O)N(CCc2cccs2)[C@@H]1c1ccco1 75584236 CQEBFVJGZLZDPY-DOMZBBRYSA-N 319.382 2.948 0 40 DFAB CC(=O)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306131822 KQHZRHDKUYCCRL-INIZCTEOSA-N 321.384 2.517 0 40 DFAB CN(C)c1cccc(CNCc2ccc(-n3cncn3)cc2)c1 78552657 JESDZDMBKPHRAR-UHFFFAOYSA-N 307.401 2.623 0 40 DFAB Cc1c(C(=O)N[C@@H](C)Cn2ccnc2)oc2c(F)cccc12 42532592 OIMPXWSDHFKLHO-JTQLQIEISA-N 301.321 2.895 0 40 DFAB C[C@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cnn(C)c1 127395335 BTMAYWSKUUKXSS-GFCCVEGCSA-N 320.824 2.923 0 40 DFAB O=C(Nc1nc2c(OC(F)F)cccc2s1)[C@H]1CCCN1 72667438 HBDSYCFNCLOFEC-SSDOTTSWSA-N 313.329 2.588 0 40 DFAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 126408694 GJQKZMAEZZBFNL-YHUYYLMFSA-N 324.465 2.549 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)C1CC1)c1ccc(Cl)cc1 39985020 UNPBZWYZFLIMSU-ZUZCIYMTSA-N 308.809 2.822 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ncc(Cl)cn2)C1 72203549 KFWCEWHUBHBBDU-LLVKDONJSA-N 312.801 2.624 0 40 DFAB CC[C@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC 78772462 YJLQRQWEMRDRRP-DOTOQJQBSA-N 303.450 2.941 0 40 DFAB O=C(c1ccc2c(c1)COCO2)N1CCc2ccccc2CC1 73762176 YVVLTTYCLVIATO-UHFFFAOYSA-N 309.365 2.794 0 40 DFAB COc1ccc(CCCNC(=O)COc2ccccc2F)cc1 222775934 HVCLQDFSVZDHCR-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB Cc1ccc(CCNC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)o1 223247174 CWNOZBPKQIKMQQ-GOSISDBHSA-N 312.369 2.830 0 40 DFAB Cc1cc(C(=O)NCCc2nc(-c3ccco3)cn2C)c(C)o1 85471239 WDNSDLMXVCISNM-UHFFFAOYSA-N 313.357 2.862 0 40 DFAB C[C@H](C(=O)NC[C@@H]1CCCCN(C(=O)[C@H](C)C2CC2)C1)C1CC1 572833251 FIBYOCLUTYFTHF-ZNMIVQPWSA-N 320.477 2.824 0 40 DFAB CC(C)Oc1cc(CNc2ccccc2S(C)(=O)=O)ccn1 195575590 XEVPVGKXVWTBTR-UHFFFAOYSA-N 320.414 2.884 0 40 DFAB O=c1c(Br)c(Br)cnn1C1CCCC1 40927798 IIYQVUBNCLDFKM-UHFFFAOYSA-N 322.000 2.883 0 40 DFAB COc1cccc(N(C)C(=O)Cc2ccc(OC)c(OC)c2)c1 222940402 CYQAESGTRJVPLN-UHFFFAOYSA-N 315.369 2.918 0 40 DFAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)C 44902593 VMXWCFYSUASKRL-CYBMUJFWSA-N 300.855 2.889 0 40 DFAB O=C(NCc1cccs1)c1csc(Nc2ncccn2)n1 49032184 MMSJKLZNZICYNG-UHFFFAOYSA-N 317.399 2.668 0 40 DFAB C[C@H](NCc1nc(C2CC2)no1)c1cccc(-n2cccn2)c1 96491838 UMHAOORMTKJQMR-LBPRGKRZSA-N 309.373 2.984 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccnc(O[C@H]2CCOC2)c1 96486867 WOIAPKGUSVAROY-HNNXBMFYSA-N 316.332 2.570 0 40 DFAB Cc1csc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 96046140 WCTTVKVXNWAAKA-NWANDNLSSA-N 316.430 2.594 0 40 DFAB CCN(CC)CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 96439513 QYQJTWSPPULTRS-YOEHRIQHSA-N 323.506 2.589 0 40 DFAB Cc1cnc(N2CCC3(CC[C@@H](C(=O)NC(C)C)C3)CC2)nc1 96227848 IVOKRCAMOJINGZ-OAHLLOKOSA-N 316.449 2.696 0 40 DFAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1cc2ccccc2[nH]1 96499727 LNDMJKSCMUKFIC-YOEHRIQHSA-N 315.417 2.860 0 40 DFAB c1ccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 96158043 GRPIMYQFUTXKRC-HXUWFJFHSA-N 322.456 2.965 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccs1)C2 96039386 PSDKPHFRSXBWDR-WBVHZDCISA-N 323.458 2.725 0 40 DFAB Cn1cc(CCCCNCc2cccc3c2OCCCO3)cn1 95349191 IMMAYWZEXPCIJX-UHFFFAOYSA-N 315.417 2.694 0 40 DFAB CC(C)c1ccc(/C=C/CC(=O)N[C@H]2CCC[C@@H]2C(N)=O)cc1 95450498 AJEAYCXTTYARFZ-HNKISGKTSA-N 314.429 2.984 0 40 DFAB Cc1cc(C(=O)NC[C@@H](C)CCO)nn1-c1cccc(Cl)c1 96495160 XXXAOZWBPRXFID-NSHDSACASA-N 321.808 2.582 0 40 DFAB CCN(C(=O)CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1 245289962 GHKSRCZTGOCCHD-NXHRZFHOSA-N 316.445 2.785 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)[C@H]3CCCOC3)CC2)s1 257324538 WPEKWWKVXDCEBA-ZDUSSCGKSA-N 308.447 2.758 0 40 DFAB CC(=O)N1CCO[C@@H](c2c(C(=O)O)sc3ccccc23)C1 257338587 YYBSIGTWIDKTQV-LLVKDONJSA-N 305.355 2.519 0 40 DFAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cccc(C)n2)nc1 257210815 BWHZRRONUGXQSD-IBGZPJMESA-N 324.428 2.758 0 40 DFAB COCC[C@H]1CCOC12CCN(C(=O)c1occc1C)CC2 253476962 CFQLHEOUKPNEQL-AWEZNQCLSA-N 307.390 2.636 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)c3cccc(O)n3)C2)s1 257316553 VGBPCTNVAPPTNT-LLVKDONJSA-N 303.387 2.572 0 40 DFAB O=C(c1cc2occc2[nH]1)N1CCN(CCc2ccccc2)CC1 85472897 IHLQEKMJUPLXMV-UHFFFAOYSA-N 323.396 2.761 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc(Cl)c1 298141482 OMHXNKAASDZWKM-FZMZJTMJSA-N 308.809 2.651 0 40 DFAB CC(C)[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1 63832823 KTGHPWJIMIDQNK-HNNXBMFYSA-N 314.385 2.601 0 40 DFAB Brc1cc(CN2CCc3cncnc3C2)cs1 69528660 WJOXECJDENRASE-UHFFFAOYSA-N 310.220 2.859 0 40 DFAB Cn1cc([C@@H]2CCCN2CCC(=O)N2CCc3ccccc32)cn1 69840872 DXKIVYHRQLIBTR-KRWDZBQOSA-N 324.428 2.536 0 40 DFAB CC1CCN(C[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)CC1 70015299 ICCYJXBBCFSXOK-OAHLLOKOSA-N 318.465 2.891 0 40 DFAB Cc1ccc(CSc2nnc(CN3CCCC3=O)o2)cc1 44173076 ZCTZDDYMCLFPMW-UHFFFAOYSA-N 303.387 2.793 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 48234133 BQDMNMISTWZUIH-VIFPVBQESA-N 303.284 2.896 0 40 DFAB O[C@H]1CCCn2nc(-c3nc(-c4ccc(F)cc4)no3)cc21 73640591 ZDBKOCUWBLUGOQ-ZDUSSCGKSA-N 300.293 2.566 0 40 DFAB NC(=O)c1cnc(Sc2nnc(C3CC3)s2)c(Cl)c1 74778073 ZHFOCOMSWGGRTK-UHFFFAOYSA-N 312.807 2.714 0 40 DFAB O=C(Nc1ccc(Br)c(F)c1)N(CCO)C1CC1 76081772 OFUNVURSSUKMRD-UHFFFAOYSA-N 317.158 2.577 0 40 DFAB COc1ccc2oc(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)c(C)c2c1 78894501 GDIFJJBUFWERSK-IAQYHMDHSA-N 316.401 2.772 0 40 DFAB CN(CCc1ccncc1)Cc1noc(-c2ccsc2)n1 95999372 SETRKQRWXAVPCJ-UHFFFAOYSA-N 300.387 2.868 0 40 DFAB CN(Cc1nccn1Cc1ccccc1)C(=O)N1CCCCC1 96441348 HOSPQVDDMKZNOQ-UHFFFAOYSA-N 312.417 2.969 0 40 DFAB CC(C)CNC(=O)COC(=O)CCc1nc2ccccc2s1 3269120 FPVZTOLSQWKQEY-UHFFFAOYSA-N 320.414 2.544 0 40 DFAB COc1ccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3)oc2c1 16672246 RCZGTMFPGZQOFC-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB Cc1nc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)sc1C 96482401 GYHPOAYATCCINF-LBPRGKRZSA-N 311.451 2.859 0 40 DFAB CN(C)CCOC(=O)c1ccc(N2Cc3ccccc3C2=N)cc1 3111509 WUGJVWZMPZCAKQ-UHFFFAOYSA-N 323.396 2.751 0 40 DFAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccco1 238879363 OWFGUXOSGMXGAC-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB CC(C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)s1 2298174057 IAKMXEZVZMZFLF-LLVKDONJSA-N 310.467 2.793 0 40 DFAB Cc1cc([C@@H](O)CCNC(=O)COc2ccccc2C)c(C)o1 85561382 VKBRTFLVHSYMRH-INIZCTEOSA-N 317.385 2.824 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1-n1cnnn1 40074807 UJIIJUUSNUGNCK-UHFFFAOYSA-N 319.368 2.712 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1coc(-c2cccs2)n1 21277151 SOJDJNPYBAFIMN-RYUDHWBXSA-N 314.366 2.854 0 40 DFAB O=C(C[S@](=O)Cc1cccc(F)c1F)NCc1ccccc1 32801271 FGPQTWYUFYKNLS-QFIPXVFZSA-N 323.364 2.530 0 40 DFAB O=C(Cc1ccsc1)Nc1ccc(C(=O)NC2CC2)cc1 32869233 ISZFKSQZHYCSJS-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB CNc1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl 32828741 POCDMEIMMLBEIT-UHFFFAOYSA-N 314.172 2.671 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)c2ccc(F)cc2n1 76050959 CEZCBQUYJGMQHW-GTNSWQLSSA-N 315.392 2.704 0 40 DFAB Cc1cccc(NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 76774262 QYYJSDXZRBUBEA-OAHLLOKOSA-N 317.433 2.617 0 40 DFAB O=[S@](Cc1nccn1Cc1ccccc1)c1ccc(O)cc1 78953773 OZSWKMMOAICNTI-QFIPXVFZSA-N 312.394 2.945 0 40 DFAB CSc1nc(NN)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 547811 WTTSYJVMQGYYMO-MRVPVSSYSA-N 310.448 2.796 0 40 DFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cccs1 3568095 FHIGYOFQEFWISM-UHFFFAOYSA-N 302.355 2.638 0 40 DFAB C[C@H](OCc1ccccc1)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 4240320 FYZBABHQLFFCHH-GXTWGEPZSA-N 323.389 2.960 0 40 DFAB Cc1c(Br)c(C(=O)N[C@@H](C)C(C)(C)C)nn1C 2778531 MSZVVZSNOQRICI-QMMMGPOBSA-N 302.216 2.655 0 40 DFAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1F 7990555 NOUDTEWRTSBSFU-BDJLRTHQSA-N 301.317 2.843 0 40 DFAB C[C@H](NC(=O)c1cccc2cn[nH]c12)c1nc2ccccc2[nH]1 43075995 AZILJXFWPKIGBO-JTQLQIEISA-N 305.341 2.930 0 40 DFAB Cc1noc(C)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 3105238 RVEOLHMXHLDDQJ-UHFFFAOYSA-N 319.792 2.907 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnccn1 24968908 NFWSIMSAKVGKFV-UHFFFAOYSA-N 324.365 2.787 0 40 DFAB O=C(OC1CCCCCC1)[C@@H]1CSCN1C(=O)C1CCC1 106592254 DRWQLISIBLPCQD-AWEZNQCLSA-N 311.447 2.954 0 40 DFAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cn1 25067109 KRYTWOQTPUHJEX-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB CC[C@H](Oc1cccc(C(C)=O)c1)C(=O)Nc1cc(C)on1 9316382 UYQCQFSBFCDESQ-AWEZNQCLSA-N 302.330 2.982 0 40 DFAB CC(=O)N(c1nnc(SCc2c(C)noc2C)s1)C1CC1 25771549 LJKHURDMFFFJIY-UHFFFAOYSA-N 324.431 2.951 0 40 DFAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCCOC)C3 57135282 GHVGSBWENVQASU-UHFFFAOYSA-N 303.358 2.544 0 40 DFAB CC(C)(C)c1cc(C(=O)N(CCO)CCO)cc(C(C)(C)C)c1 3218694 GDGAFQQYAWYWCM-UHFFFAOYSA-N 321.461 2.708 0 40 DFAB CCCCc1noc(CNc2ccc(C(N)=O)c(Cl)c2)n1 58138116 SZWVTPASXSWIAC-UHFFFAOYSA-N 308.769 2.777 0 40 DFAB COC(=O)CCCNC(=S)Nc1ccc(OC(F)F)cc1 3357635 FMNJGTIISAPKSE-UHFFFAOYSA-N 318.345 2.528 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCc3ccccc32)C1 58277911 GVKBJNZPXYNHLR-CZUORRHYSA-N 308.447 2.582 0 40 DFAB CCCS(=O)(=O)NC1CCN(c2ccc(CC)cc2)CC1 58289823 WVYBEQPROCMHQK-UHFFFAOYSA-N 310.463 2.547 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F 58266015 IRFVJHFOEKOFHX-NXEZZACHSA-N 324.343 2.891 0 40 DFAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccoc2)c(C)s1 44977313 GARQKQZBRLJONJ-WDEREUQCSA-N 320.414 2.954 0 40 DFAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12772758 BMNAHQPTPIEFJF-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)N2CCc3ccccc32)n1 12782075 UOXODTROEBGIBJ-NSHDSACASA-N 316.430 2.998 0 40 DFAB Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccnc1)C2 100149162 PUQJDPVHRYPPBP-ROUUACIJSA-N 323.440 2.905 0 40 DFAB CC(=O)Nc1ccc(Br)c2ccc(C(=O)O)nc12 57349103 PKLKSTSISGBAGB-UHFFFAOYSA-N 309.119 2.654 0 40 DFAB C[C@H]1CCc2c(C(=O)NCCCn3ccnc3)csc2C1 58873344 OFJXDQYEZJVKEP-LBPRGKRZSA-N 303.431 2.890 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142605 DHSYSALQFVCCAA-OAHLLOKOSA-N 322.412 2.639 0 40 DFAB Cn1nc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1=O 11780806 IZJCALNDJWQFOT-UHFFFAOYSA-N 319.364 2.627 0 40 DFAB Cc1cc(C)cc(OCCNC(=O)c2n[nH]c3ccccc23)c1 60011983 SHQSLMQAMGIZMP-UHFFFAOYSA-N 309.369 2.989 0 40 DFAB O=C(Cn1cncn1)NCCC(c1ccccc1)c1ccccc1 12959584 FSIZSAIRFQEDIM-UHFFFAOYSA-N 320.396 2.617 0 40 DFAB O=c1nc(CN2CCCCC2)[nH]c2sc3c(c12)CCCC3 3621264 IWVIFYLUTNWQIY-UHFFFAOYSA-N 303.431 2.849 0 40 DFAB CCCN(CC(F)(F)F)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 63851296 DLCQPVWBIZTDMH-UHFFFAOYSA-N 320.311 2.833 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(N)n1 6000366 CAGFVIAHXISVKN-MRVPVSSYSA-N 301.375 2.540 0 40 DFAB CCCN(C)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)cc1 95456341 NNGAWAQTNODSQV-SFHVURJKSA-N 312.413 2.996 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 4472186 BWTRDCBONWWXNM-VSXLWIIGSA-N 319.382 2.983 0 40 DFAB Cc1nc(SCc2ncc(Cl)n2C)c(C(N)=O)c(C)c1C 14253481 QVBMSJGCLODYPX-UHFFFAOYSA-N 324.837 2.785 0 40 DFAB O=C(COC(=O)c1cc(F)cc(F)c1)Nc1ccccc1F 7032455 KMLNCABVUBHQMG-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cnccc2C)cc1 80039307 DFPZMAGWYMBGOO-QGZVFWFLSA-N 323.396 2.828 0 40 DFAB CCn1nc(C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2c1=O 9364145 ISGKIJDMCLJGKV-DOMZBBRYSA-N 313.401 2.725 0 40 DFAB NC(=O)c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)o1 90179623 AHTHKXVYTXCIQQ-ZDUSSCGKSA-N 304.321 2.521 0 40 DFAB Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc2n1 7118115 NWBJSMXTVAQYBZ-UHFFFAOYSA-N 321.380 2.778 0 40 DFAB O=C(NC1(c2nccs2)CCCC1)[C@@H]1CCc2cn[nH]c2C1 80337786 YOLDBMQRGBPXBB-LLVKDONJSA-N 316.430 2.557 0 40 DFAB CC(C)c1nc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)no1 72232141 UREYJJIBCFIJRJ-UONOGXRCSA-N 321.421 2.858 0 40 DFAB Cc1cc(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c(C)s1 72293172 ORMVQGIXWVEURJ-GFCCVEGCSA-N 324.320 2.794 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1 8078071 CQVLRYKIPKHACH-UHFFFAOYSA-N 315.329 2.911 0 40 DFAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cn1 8078014 JJQNDBIPCDNCKJ-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB C/C(=C\C(=O)NCCC(=O)Nc1ccccn1)c1ccccc1 96315741 UANYPLPGJPQQEY-BUHFOSPRSA-N 309.369 2.630 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1 71799933 POWWOHVHXLRTHH-UHFFFAOYSA-N 318.323 2.896 0 40 DFAB COC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2O1 16806532 RAIIVHDSNCGPAR-INIZCTEOSA-N 311.337 2.576 0 40 DFAB C[C@@H](Cn1cncn1)N[C@@H]1CCc2c(Br)cccc21 91311795 GYBSWFGTANYTDE-IINYFYTJSA-N 321.222 2.706 0 40 DFAB CSCc1nc2ccccc2n1CC(=O)Nc1nccs1 8284097 GKWYOIJGFQNQDY-UHFFFAOYSA-N 318.427 2.995 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccccc2-n2cncn2)c1 69489280 JKMRWZNAJOHULU-CABCVRRESA-N 310.405 2.512 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(F)cc1 71859202 VBODFTWUPRIJFN-XMHCIUCPSA-N 319.401 2.779 0 40 DFAB C[C@@H](CNc1cncc(-n2cccn2)n1)N(C)c1ccccc1 69508691 MGGDQZBIXJGYSC-AWEZNQCLSA-N 308.389 2.599 0 40 DFAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(C)CC1 69513116 UPUSFCYXZQRLRB-UHFFFAOYSA-N 301.415 2.506 0 40 DFAB Cc1cnn(C[C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)c1 69519409 OVCQOFOPOOAESM-HNNXBMFYSA-N 320.462 2.672 0 40 DFAB Cc1cccc(C2(C(=O)N3CCC[C@H](C(N)=O)C3)CCCC2)c1 71847305 RSYSYMMLAGBUPF-HNNXBMFYSA-N 314.429 2.531 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)cn1 69668634 RLFUPOOMMQVDQF-ZBFHGGJFSA-N 313.426 2.801 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(F)cc1 71859203 VBODFTWUPRIJFN-DMZKTXOQSA-N 319.401 2.779 0 40 DFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 69967955 KFNGNXUKUKQBCY-GOEBONIOSA-N 315.421 2.548 0 40 DFAB COc1ccc2nc(NC(=O)COc3cc(C)on3)sc2c1 8776521 BHSIZEFMFCKXCK-UHFFFAOYSA-N 319.342 2.619 0 40 DFAB O=C(NC1CCCC1)N[C@H]1CCN(c2c(F)cccc2F)C1 87021011 OCEUGYXESYKMDG-LBPRGKRZSA-N 309.360 2.785 0 40 DFAB COc1ccc(OCc2nc3cc(F)ccc3o2)c(C(N)=O)c1 83925507 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Cn1cc(C(=O)N2CC[C@H](Cc3cncc4ccccc34)C2)cn1 72368573 ANOPDDRONHNTJI-CQSZACIVSA-N 320.396 2.673 0 40 DFAB Cn1c(C(=O)Nc2ccc(C(N)=O)cc2)cc2cc(F)ccc21 72404959 NOFWFOZDJJMOQT-UHFFFAOYSA-N 311.316 2.669 0 40 DFAB COc1ccc(NC(=S)Nc2cccc(C(N)=O)c2)cc1F 71760497 MWTKZBHZYPYXNI-UHFFFAOYSA-N 319.361 2.742 0 40 DFAB COCc1nn(CC2CCC(c3ccccc3)CC2)c(=O)o1 187904309 QWGREEUVUFKHQC-UHFFFAOYSA-N 302.374 2.957 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 41122716 HXRGSIHTUSQDCP-CQSZACIVSA-N 303.337 2.813 0 40 DFAB Cn1cccc1CCNC(=O)c1ccc2nc(Cl)oc2c1 225986152 UBMUQQVJMZOQGT-UHFFFAOYSA-N 303.749 2.792 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1csc(-n2cccc2)n1 44225673 ALCQNEMYVPHICE-UHFFFAOYSA-N 323.381 2.740 0 40 DFAB COC[C@H](O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 195559820 STDCQZKLDOAFBD-GXTWGEPZSA-N 303.324 2.502 0 40 DFAB CCOC(=O)[C@]1(C)CC(c2cnc(-c3ccccc3)nc2)=NO1 226082840 YJXCHTLXXJXTKB-KRWDZBQOSA-N 311.341 2.590 0 40 DFAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC[C@H]1C(=O)O 1594818842 WGOOYBFDDPULBR-WDEREUQCSA-N 302.355 2.859 0 40 DFAB COC(=O)[C@H](NC(=O)c1cccc2cccnc12)C(C)(C)C 96412459 GUUJDHBMKRUHEB-AWEZNQCLSA-N 300.358 2.552 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1C)C2 96039194 WLOABYJOTXPIDP-IEBWSBKVSA-N 317.429 2.582 0 40 DFAB Cc1csc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)n1 96207946 IMLXTMKBOYGEJM-NVXWUHKLSA-N 321.490 2.671 0 40 DFAB NC(=O)c1cc(NCCOc2cccc(F)c2)c(F)cc1F 96427528 RXQUEJZGYVGBOU-UHFFFAOYSA-N 310.275 2.694 0 40 DFAB c1cncc(OC[C@H]2COCCC23CCN(CC2CC2)CC3)c1 96218808 VJNSNGJESRDXJY-QGZVFWFLSA-N 316.445 2.989 0 40 DFAB Cn1cncc1CNc1cccc(-c2ccc3c(c2)OCCO3)n1 97094829 HVPXBTYMTJMVNE-UHFFFAOYSA-N 322.368 2.865 0 40 DFAB O=C(c1ccoc1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109362 CLJFKWMKNXHXRO-QAPCUYQASA-N 312.369 2.996 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCCCCC2)C1 96193106 JECFSYWNOUKKPJ-GOSISDBHSA-N 316.401 2.981 0 40 DFAB COCc1nc(C(=O)NC[C@@H](C)Oc2ccccc2F)cs1 96431453 AGCSITPZEANRGT-SNVBAGLBSA-N 324.377 2.626 0 40 DFAB Cn1cccc1C(=O)OC1CCN(Cc2ccsc2)CC1 96442742 HEWBRBQQYBHSLN-UHFFFAOYSA-N 304.415 2.908 0 40 DFAB Cc1ccc(OCC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)cc1 257207937 BJYMKXNFKXOLMF-HKUYNNGSSA-N 316.445 2.897 0 40 DFAB CCCN(CCC)c1nn(-c2cccc(OC)c2)nc1C(=O)O 256048777 WDCYMHUKBMCYDH-UHFFFAOYSA-N 318.377 2.601 0 40 DFAB CCN(CCN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 252518063 YSOSCHBSMBUYLH-SJORKVTESA-N 319.449 2.505 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)CC1 263535897 OOAZIOYUGVHBBN-GXTWGEPZSA-N 305.374 2.849 0 40 DFAB CCc1nnc(CNC(=O)c2cscc2C(F)(F)F)o1 621932052 RRNPPEHZPHTCRH-UHFFFAOYSA-N 305.281 2.642 0 40 DFAB CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 287716329 XVJYXHHIWDTQMQ-BHVCSQLQSA-N 310.463 2.948 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c(F)cccc12)C(=O)O 379450789 ZBRNRKPATPNTCH-GFCCVEGCSA-N 322.336 2.827 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575406468 XLRKWYOUCIPRTB-HNNXBMFYSA-N 320.458 2.731 0 40 DFAB CC(C)c1nn(CN2CCCC[C@H]2C2OCCO2)c(=S)o1 71920467 FLXQMJBUFKTOBJ-NSHDSACASA-N 313.423 2.514 0 40 DFAB COc1cc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)ccn1 48260321 SQPOGJAQDBGHQG-NSHDSACASA-N 317.311 2.574 0 40 DFAB CC[C@H](C)n1c(S[C@@H](C)C(N)=O)nnc1-c1ccccc1 58201196 DYROXZHYJXJDOC-QWRGUYRKSA-N 304.419 2.882 0 40 DFAB CC[C@@H](CNc1nccn(C)c1=O)Oc1ccccc1Cl 79014928 RKJANNNFLVHIGN-NSHDSACASA-N 307.781 2.703 0 40 DFAB C[C@@H]1CCC[C@@H](C)N(C(=O)CCOc2ccc(C(N)=O)cc2)C1 96451356 XWEJNYZBRLTIPX-ZIAGYGMSSA-N 318.417 2.592 0 40 DFAB CN1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17030926 YOLPGHKOSNOXHG-UHFFFAOYSA-N 303.353 2.650 0 40 DFAB Cc1ncncc1C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19552932 KPAAQUNNSRDBCB-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB CC(=O)N1CCC(CC(=O)N(C)C[C@H](C)c2ccccc2)CC1 19745394 SUULMYSMMPOBBL-HNNXBMFYSA-N 316.445 2.897 0 40 DFAB COc1ccc(C(=O)O[C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 14504547 MHJLKHNHGMUAPQ-SJKOYZFVSA-N 316.353 2.983 0 40 DFAB endogenous,in-man CC1CCC(NC(=O)CNC(=O)c2cccc(Cl)c2)CC1 9635144 AYSGJXSBNLKMMO-UHFFFAOYSA-N 308.809 2.765 0 40 DFAB Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1F 238877115 OIFYDZNZNBVAII-CQSZACIVSA-N 300.333 2.823 0 40 DFAB CS(=O)(=O)CC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 130131970 JYZQPKJPINMUHE-QWRGUYRKSA-N 313.385 2.522 0 40 DFAB COc1ccc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 5153341 TXMYBIRSHHTPCI-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB Cc1ccccc1C(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924500 CMHILJYZKSNBNB-OAHLLOKOSA-N 308.381 2.778 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccc2c(c1)CCC(=O)N2 32836861 DDLMQIRRXCKGSH-UHFFFAOYSA-N 300.383 2.905 0 40 DFAB O=c1c2c3c(sc2nnn1CCc1ccccc1)CCCC3 148778 BOCVSGHZJHWNKA-UHFFFAOYSA-N 311.410 2.975 0 40 DFAB CC(C)(C)c1nnc(Cn2cc(C(F)(F)F)ccc2=O)o1 31836464 OHGAGVXFVLGLHM-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1 51319531 IWSRLTUVSBRTCU-UHFFFAOYSA-N 324.428 2.559 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)[C@@H]1CCCO1 250927 WDSXTGDPLLZJLV-GWCFXTLKSA-N 311.765 2.857 0 40 DFAB O=C(O)c1ccn(-c2ccccc2NC(=O)C2[C@@H]3CCC[C@@H]23)n1 101975889 OVYFBBBEGJNMNI-GHMZBOCLSA-N 311.341 2.555 0 40 DFAB COC(=O)[C@@H](C)OC(=O)c1cccnc1Oc1ccccc1 32865204 NWUDXQPBRDKMOG-LLVKDONJSA-N 301.298 2.592 0 40 DFAB Cc1ccccc1OCC(=O)NC(=S)NCc1ccccc1 508485 OMTLBSMFJUPNQX-UHFFFAOYSA-N 314.410 2.565 0 40 DFAB O=C(COc1cccc(Br)c1)NCc1ccco1 1473208 IJCRQFZYPSRLBR-UHFFFAOYSA-N 310.147 2.737 0 40 DFAB O=C(CN1CCCC1)Nc1ccccc1C(=O)c1ccccc1 3345719 BEALLQYOPLSCJQ-UHFFFAOYSA-N 308.381 2.952 0 40 DFAB CCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1 4375656 MXAIITREGBUHBN-UHFFFAOYSA-N 305.407 2.512 0 40 DFAB FC(F)(F)c1cnc(NCCCN2CCOCC2)c(Cl)c1 37387310 DYXPTZUBODAQML-UHFFFAOYSA-N 323.746 2.888 0 40 DFAB Cc1nnc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)s1 23245025 QKIHQGBGTQGICJ-UHFFFAOYSA-N 311.750 2.523 0 40 DFAB Cc1ccc(F)c(S(=O)(=O)N(Cc2cccnc2)C2CC2)c1 42986337 AZTDBTQKEHAEQE-UHFFFAOYSA-N 320.389 2.882 0 40 DFAB CCOc1ccc2oc(-c3cn(C)nc3C)c(O)c(=O)c2c1 55007507 QVLYHVODZDERHW-UHFFFAOYSA-N 300.314 2.606 0 40 DFAB COc1ccc(C(=O)NCc2cc(F)cc(F)c2)c(OC)c1 43756074 WACCBDGWHQPPHE-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB COc1cc(NCCNC(=O)[C@@H]2CC=CCC2)cc(OC)c1 95434362 HGKYDSHXFKDGIH-CYBMUJFWSA-N 304.390 2.588 0 40 DFAB O=C1CCCc2cc(S(=O)(=O)Nc3ccccc3)ccc2N1 21881033 ASIWOOALCHDZOF-UHFFFAOYSA-N 316.382 2.762 0 40 DFAB Cc1nc(CCNC(=O)NCCc2ccc(F)cc2)cs1 58166119 BWWLLZAMXSCNEC-UHFFFAOYSA-N 307.394 2.675 0 40 DFAB CCOCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44873972 TWPFJDRZRVAYOV-UHFFFAOYSA-N 307.781 2.682 0 40 DFAB COc1ccccc1CCC(=O)Nc1cnc2c(c1)c(C)nn2C 48263130 FYCHOOODBVJXFD-UHFFFAOYSA-N 324.384 2.857 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)NCC(C)(C)N(C)C 48291023 RVSCXDOJMFPIMQ-UHFFFAOYSA-N 318.446 2.584 0 40 DFAB CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1 107186212 OCQSRRWOAFXFRD-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB O=C(O)CN[C@@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 100193721 SNTUTLXNFPOXEH-IAGOWNOFSA-N 302.418 2.636 0 40 DFAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccoc2)c(C)s1 44977310 GARQKQZBRLJONJ-GHMZBOCLSA-N 320.414 2.954 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1C 12738271 KANGHFOFBCJORO-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 45163819 PPYQRBUCLQQSLY-UHFFFAOYSA-N 307.353 2.908 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCc1ccccc1Cl 45750885 CMLLNVGKMFXOJL-HNNXBMFYSA-N 320.820 2.542 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13299957 LJKLPXBFLFMYMJ-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)c1 71185994 PUIIWYJHKQQIPJ-HNNXBMFYSA-N 316.405 2.593 0 40 DFAB O=C(CN1C(=O)CCC1=O)Nc1cccc(Oc2ccccc2)c1 49535658 UXFSNOMMKVHYIL-UHFFFAOYSA-N 324.336 2.566 0 40 DFAB COC(=O)CN(C(=O)c1ccc(C)nc1C)c1cccc(F)c1 84147850 HCBXTLAQQDRANM-UHFFFAOYSA-N 316.332 2.657 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)s1 97018620 UOMOHCKWLFQYCE-CYBMUJFWSA-N 303.383 2.730 0 40 DFAB Cn1nccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 13767336 VXDRFVRRGVFPQZ-UHFFFAOYSA-N 314.336 2.926 0 40 DFAB CC(C)c1nsc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)n1 97047861 AERFHILOVXGYHP-LBPRGKRZSA-N 319.434 2.637 0 40 DFAB Cc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 6465602 KIYQLJKJWUIVEC-SSDOTTSWSA-N 304.400 2.936 0 40 DFAB CCOc1ccc2nc(NC(=O)c3cnn(C)c3)sc2c1 14115968 SZMBHFHBPGFETJ-UHFFFAOYSA-N 302.359 2.681 0 40 DFAB Cc1noc([C@H](C)OC(=O)c2cc3c(cc2O)CCCC3)n1 65687505 XAHAZTRUFSFGAL-VIFPVBQESA-N 302.330 2.880 0 40 DFAB COC(=O)[C@H](NC(=O)c1ncoc1C)c1ccc2ccccc2c1 96009020 PUVVBSUIPUHJTR-MRXNPFEDSA-N 324.336 2.780 0 40 DFAB CCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 4554928 FNAZCKQSDDIIDA-UHFFFAOYSA-N 324.336 2.844 0 40 DFAB Cc1noc([C@@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 72299867 GUZUZZPIEDZLJD-SKDRFNHKSA-N 303.366 2.579 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 6820367 ZYYKQCLRDAJLGR-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB O=C(OCCOc1ccccc1)c1ccc(-n2cncn2)cc1 7280376 YNSVJXUMJFPTPO-UHFFFAOYSA-N 309.325 2.503 0 40 DFAB Cn1cc(CN(Cc2ccc(-n3ccnc3)cc2)C2CC2)cn1 67851482 ORQCXQDQLHTRNW-UHFFFAOYSA-N 307.401 2.770 0 40 DFAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cc(C)on1 7624601 CYENJSSPBWATLQ-NSHDSACASA-N 318.329 2.600 0 40 DFAB CCCC(=O)N1CCC[C@H](C(=O)Nc2ncc(CC)s2)C1 81228831 SNFQGORIMGRIHA-NSHDSACASA-N 309.435 2.683 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2nccs2)CC1 71824416 UQTIDQAILYUUKX-LSDHHAIUSA-N 313.426 2.595 0 40 DFAB Cc1cc(COC(=O)c2cncn2-c2ccc(F)cc2)on1 8484117 WDKGVZIBBRQFJL-UHFFFAOYSA-N 301.277 2.665 0 40 DFAB COC(=O)c1cccn1C1CCN(C(=O)c2ccc(C)o2)CC1 69570120 RMJJTTKPPCDXCC-UHFFFAOYSA-N 316.357 2.653 0 40 DFAB CCOCCCCNC(=O)NCc1cn2cc(Cl)ccc2n1 69561917 DZBRYOIBPITVGR-UHFFFAOYSA-N 324.812 2.604 0 40 DFAB O=C(c1ccccc1-n1cccn1)N1CCC[C@@H](n2ccnc2)C1 69660384 SEVNDUQXFRKIFB-OAHLLOKOSA-N 321.384 2.546 0 40 DFAB CCCN1CCC(NC(=O)N(C)[C@@H](C)c2cccnc2)CC1 71885918 YJVWLZBLVDBNGO-AWEZNQCLSA-N 304.438 2.658 0 40 DFAB C[C@H](NC(=O)CCn1cncn1)c1csc2ccccc12 69893626 PEDODQXFJLBXOK-NSHDSACASA-N 300.387 2.760 0 40 DFAB CCCCc1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1 95456751 OADLFGTZVURAFI-UHFFFAOYSA-N 310.357 2.618 0 40 DFAB CCOCc1c(C(C)C)c2cc3c(cc2[nH]c1=O)OCCO3 98086833 FQSNQKKAUVAOQZ-UHFFFAOYSA-N 303.358 2.959 0 40 DFAB Cc1ccc(NCc2nccn2C(F)F)c(C(=O)N(C)C)c1 85277520 RVMOJSBGOPWOFU-UHFFFAOYSA-N 308.332 2.901 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Cc1cccc(Cl)c1 408617997 BOYPTLQINDHEIE-YZXKGSGOSA-N 313.784 2.893 0 40 DFAB CS[C@H](C)CC(=O)O[C@H](C)C(=O)N(C)Cc1ccccc1 89894563 UYHWKSRHODSKFY-CHWSQXEVSA-N 309.431 2.718 0 40 DFAB CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)c1ccccn1 110585578 ZSXCQAZRHDPLBY-HUUCEWRRSA-N 304.438 2.658 0 40 DFAB CCN(C(=O)CC1=CCCCC1)[C@@H](C)CS(=O)(=O)CC 79041820 OEKZQHFRTVDDEK-ZDUSSCGKSA-N 301.452 2.549 0 40 DFAB COCCNC(=O)C1=C(n2cccc2)S[C@H]2CCCC[C@@H]12 32646435 JVLVCKZLEBAFOO-OLZOCXBDSA-N 306.431 2.725 0 40 DFAB COc1ccc(OCC(=O)N2CCOC23CCCCC3)cc1 35671205 OBBNMTKRMDCVIY-UHFFFAOYSA-N 305.374 2.593 0 40 DFAB CC(C)OCc1cccc(S(=O)(=O)Nc2nccs2)c1 72265398 ZHOPJLZMRJPJTA-UHFFFAOYSA-N 312.416 2.869 0 40 DFAB C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@H]1C[C@@H]2O 36370731 JVYOPHXXWSMLAS-VQOILEFDSA-N 306.446 2.930 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Nc2ncc(Cl)cn2)CC1 72203012 NRPOJLDGGLICFK-UHFFFAOYSA-N 312.801 2.941 0 40 DFAB CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2[nH]ccc2c1 189715274 RVJKZOXLKBLWKB-UHFFFAOYSA-N 322.368 2.550 0 40 DFAB O=C(O)CCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 35687139 SHULUHNDTYVZNP-UHFFFAOYSA-N 317.216 2.586 0 40 DFAB O[C@H](CNC1CCCCC1)COCCOc1ccc(F)cc1 41690336 RBPUGRKFMWJPRT-MRXNPFEDSA-N 311.397 2.504 0 40 DFAB Cc1nonc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 74727289 APWYFFVEEVXTAI-UHFFFAOYSA-N 311.301 2.558 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccccc2F)C1 48267994 HFRDFCYVRWYYKO-HUUCEWRRSA-N 306.425 2.852 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1cccnc1 42646539 CQMDNLBVKAOHBZ-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB C[C@H](C(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1 195567368 YOMNFPCRHVCXCG-YJBOKZPZSA-N 320.396 2.939 0 40 DFAB CCN(CC)c1ccc(-n2nc3cc(N)c(OC)cc3n2)cc1 226264909 XAZBBTRKBKQVJD-UHFFFAOYSA-N 311.389 2.858 0 40 DFAB C[C@@H](CNC1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 194473825 MZDGCHDZQJLKNX-DLBZAZTESA-N 302.462 2.881 0 40 DFAB CCO[C@H]1C[C@@H](NCc2c[nH]nc2-c2cccnc2)C12CCC2 89985998 BYGNURBFYQXLMW-CVEARBPZSA-N 312.417 2.909 0 40 DFAB Cc1cnc2c(c1)N(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 333137227 KJGHGMUBNBXOOX-INIZCTEOSA-N 310.353 2.509 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C)C12CCCC2 96419705 AOWNTQQEJIHVSO-HUUCEWRRSA-N 318.465 2.862 0 40 DFAB O=C(CCc1ccc2[nH]ccc2c1)N[C@H](CO)c1ccccc1 97232894 PJHOSGSOPUFNNI-GOSISDBHSA-N 308.381 2.950 0 40 DFAB Cc1cccc(C)c1C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 578126867 UOQYAOZXUSEPHY-HOCLYGCPSA-N 313.401 2.687 0 40 DFAB c1ccc(N[C@H]2COC3(CCN(Cc4ccncc4)CC3)C2)nc1 96221298 RYZHXCBYJDFURB-QGZVFWFLSA-N 324.428 2.712 0 40 DFAB CC(C)Cc1nc(CSCC(=O)N2CCC(C)CC2)no1 95406548 PKNSJSWIZWGQKO-UHFFFAOYSA-N 311.451 2.760 0 40 DFAB Cc1ccncc1NC(=O)C(=O)NCc1oc2ccccc2c1C 96407039 ZZHKOBDCTOSTKO-UHFFFAOYSA-N 323.352 2.700 0 40 DFAB CCSCC[C@@H](C)NC(=O)Nc1cnn(-c2ccccn2)c1 96435184 AXGSBJYSLQBMPE-GFCCVEGCSA-N 319.434 2.921 0 40 DFAB C[C@H](O)CCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500297 OPZAZRGALKOTFI-ZETCQYMHSA-N 308.712 2.834 0 40 DFAB O=C(c1ccoc1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039818 SZWOHEMPYIMQPC-AEFFLSMTSA-N 319.401 2.718 0 40 DFAB Cc1nc(Cl)cc([C@H]2COCCN2C(=O)OC(C)(C)C)n1 257328427 XFPGANOYDDMHPY-LLVKDONJSA-N 313.785 2.747 0 40 DFAB CN(Cc1cccc2[nH]ccc12)C(=O)c1ccc2nn[nH]c2c1 390835727 WFOMSKNDZOYJFB-UHFFFAOYSA-N 305.341 2.711 0 40 DFAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](O)C1 65439000 IBZMHZCQLMKJBC-VIFPVBQESA-N 306.259 2.833 0 40 DFAB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)CC(=O)C(F)F 953061124 PWFCZKGMZWEYFK-ZJUUUORDSA-N 319.348 2.673 0 40 DFAB CCCCc1nc(C)c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)s1 71829579 HJJUISYYEAPEDE-ZYHUDNBSSA-N 323.462 2.520 0 40 DFAB Cc1cc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)[nH]n1 71818897 DINNLHNIDKYWAJ-UHFFFAOYSA-N 301.365 2.952 0 40 DFAB COc1c(F)cc(NC(=O)CCCCCNC(C)=O)cc1F 55946976 VSVRDNJCRIONNQ-UHFFFAOYSA-N 314.332 2.608 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NC1(c3ccccc3)CC1)C2 101387137 OBUZIRDOHDLRJR-IRXDYDNUSA-N 313.445 2.990 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC[C@@](C)(O)c1ccco1 76088635 VAQAYUSEJGISAO-OAHLLOKOSA-N 309.749 2.579 0 40 DFAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)o1 60346198 SZWJIBIIDRNMAW-INIZCTEOSA-N 320.295 2.833 0 40 DFAB C[C@]12C[C@@H](c3ccccc3)N(C3COC3)[C@H]1CCCCC(=O)N2 1615156951 YSLJHHRMGTZAMI-LNLFQRSKSA-N 314.429 2.650 0 40 DFAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)cc1)C1CC1 1775977540 IVDMAWXOEGNLCG-CQSZACIVSA-N 323.439 2.530 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)CSc2nncn2C)cc1 5216554 KJHKJYOQJSTVEU-UHFFFAOYSA-N 318.402 2.529 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1F 5251196 UCGBLEHXGATWTD-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB CS(=O)(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1ccccc1 11692703 DFCORIREIDIFRU-INIZCTEOSA-N 316.382 2.503 0 40 DFAB CCC[C@H](C)NC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 12793067 QNZGVDSGUIQWMZ-ZDUSSCGKSA-N 316.401 2.676 0 40 DFAB O=C(N[C@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12 13637303 GIORAQZWVXDTPS-INIZCTEOSA-N 319.364 2.731 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(N(C)C)o2)C(=O)O)o1 7342644 OJJBUCNNZKVVOU-CLFYSBASSA-N 309.347 2.509 0 40 DFAB Cc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 156292835 WJMYXUJOIPBANN-OAHLLOKOSA-N 305.422 2.879 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C)CC1 209714955 ODCQRZUYFQXKIT-JZUXZRAKSA-N 324.490 2.893 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)OCC(=O)c1ccccc1 10740523 AIECEZOILILGBZ-UHFFFAOYSA-N 312.321 2.774 0 40 DFAB O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(C2CCCC2)C1 7737628 VWEXYHRSBWXLEO-CQSZACIVSA-N 323.396 2.964 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1C 9572776 IHDCSSFYKHVYPE-UHFFFAOYSA-N 316.382 2.599 0 40 DFAB COc1ccc(CCCNC(=O)Cc2ccc(OC)cc2)cc1 20456382 YWJCRIWETOHIPK-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB Cc1cc(N2CCSCC2)ccc1NC(=O)Nc1cn[nH]c1 51236480 NUGBCJZCRZRHJN-UHFFFAOYSA-N 317.418 2.915 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1 101646289 LXZIUEDGEJHQIT-UHFFFAOYSA-N 313.401 2.757 0 40 DFAB CCN1CCN(Cc2cc(Br)ccc2F)CC1 52584919 SLYNJCTUXZXEOW-UHFFFAOYSA-N 301.203 2.726 0 40 DFAB COc1ccc(-c2nc(CN3CCOC(C)(C)C3)co2)cc1 71841988 YFAQZBKTGHYVTP-UHFFFAOYSA-N 302.374 2.961 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)N[C@@H](C)c2ccccn2)C1 71857165 CPDZTOSIDBCMND-LSDHHAIUSA-N 304.438 2.562 0 40 DFAB C[C@H]1Cc2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1 71857440 YGRNILNRFGEXCP-ZDUSSCGKSA-N 319.368 2.501 0 40 DFAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 530036 WGFVSQABQGSYIT-ZHRRBRCNSA-N 320.329 2.779 0 40 DFAB O=C(NCCc1ccncc1)c1ccc(Nc2ncccn2)cc1 79494403 MSCHZALPAWNIDR-UHFFFAOYSA-N 319.368 2.588 0 40 DFAB CCOC(=O)c1ccc(NC[C@@H](O)c2ccc(F)c(F)c2)nc1 42098897 CJLTXHNCIUYFSI-CQSZACIVSA-N 322.311 2.682 0 40 DFAB C[C@H]1CCCCN1CCCCNC(=O)c1cc(C2CC2)[nH]n1 46990205 HPXSWEFUEXIPII-ZDUSSCGKSA-N 304.438 2.672 0 40 DFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCc1ccccc1 22836439 UGXODKGWRWCWIS-KRWDZBQOSA-N 322.408 2.937 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@H]1COc2ccccc2O1 105699083 ZCLNEJFFXGCHFK-BYNSBNAKSA-N 301.386 2.769 0 40 DFAB COc1ccc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cn1 12532072 XYWGKHLMJHNLBN-HNNXBMFYSA-N 322.368 2.527 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCCc1ccccc1 100545950 KOYFQSLTABANRV-NXOAAHMSSA-N 313.397 2.648 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2C1)c1noc2c1CCCC2 56204427 AIZLFLSQAADKQI-GFCCVEGCSA-N 312.369 2.535 0 40 DFAB Cc1csc(N2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 57209058 CTPNVURBCNEZAX-UHFFFAOYSA-N 321.471 2.713 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)NCc2ccsc2)cc1 71803123 ZGFAGNQZRHEAAP-UHFFFAOYSA-N 317.414 2.748 0 40 DFAB Cc1ccc(CN2C[C@H]3CC[C@H]2[C@H]3OCCN(C)C)cc1C 107265462 YUWNDMVLDPXLJX-QYZOEREBSA-N 302.462 2.844 0 40 DFAB COc1cccc(/C=C/C(=O)OCC(=O)NC2CCCCC2)c1 3247053 TYCVESNTRGILSU-ZHACJKMWSA-N 317.385 2.701 0 40 DFAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCn2nccc21 58183675 XZJNWQJQUIJPGF-NSHDSACASA-N 305.765 2.741 0 40 DFAB O=C(NCc1nnc2ccccn12)C1(c2ccc(F)cc2)CCC1 44906817 OKGHRKIDPNVGRN-UHFFFAOYSA-N 324.359 2.607 0 40 DFAB Cn1nccc1C1CCN(c2nccc(C(F)(F)F)n2)CC1 58307276 IVQOEWKNYQUUPZ-UHFFFAOYSA-N 311.311 2.613 0 40 DFAB Cc1ccn2cc(CNC(=O)[C@@H](c3ccccc3)N(C)C)nc2c1 58393977 LUGONILRDVGWHC-GOSISDBHSA-N 322.412 2.562 0 40 DFAB O=C(c1ccccn1)N1CCC(c2nc3ccccc3[nH]2)CC1 27997567 NQCZSQHOBCLAIX-UHFFFAOYSA-N 306.369 2.978 0 40 DFAB COC[C@@H](C)NC(=O)Nc1cccc(COCCOC(C)C)c1 62416713 ZCNIBFBQPLKCDX-CQSZACIVSA-N 324.421 2.785 0 40 DFAB CCC1CCC2(CC1)NC(=O)N(CN1CCC(C)CC1)C2=O 13097684 XTIBWDXWLWXPDR-UHFFFAOYSA-N 307.438 2.567 0 40 DFAB c1cncc(-c2nc(-n3cnnc3)c3c4c(sc3n2)CCC4)c1 13128363 OHCMOLCEPIDJDI-UHFFFAOYSA-N 320.381 2.823 0 40 DFAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nnc3ccccn23)C1 13689355 PNRBAPWMWQAPOQ-AWEZNQCLSA-N 324.359 2.888 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCCO3)c1 6396037 ZREUZOTUZARKEL-UHFFFAOYSA-N 315.325 2.727 0 40 DFAB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1c1ccccc1 5389455 XPUXWIDSDIAKCW-ZROIWOOFSA-N 306.321 2.675 0 40 DFAB COc1ccc(CCNC(=O)c2cc(C)oc2C)cc1OC 6558732 YEYVTWGRHTZVKG-UHFFFAOYSA-N 303.358 2.886 0 40 DFAB CC(C)[C@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(N)=O 79040670 NOBSSHQOHPYHLL-UFBFGSQYSA-N 317.216 2.723 0 40 DFAB O=C(NCc1cccnc1)NC[C@@H](O)c1ccc2ccccc2c1 67454724 MVBGHRSDRAGEKI-GOSISDBHSA-N 321.380 2.768 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 7389901 INRXQSFCCPIEOI-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB COc1ccc(COC[C@@H](O)CN(C)Cc2cccs2)cc1 68047391 HXPKIHIDSYFMSY-HNNXBMFYSA-N 321.442 2.766 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 68646388 LGBVOJXRTKJTFX-WDEREUQCSA-N 322.327 2.551 0 40 DFAB C[C@@H](OC(=O)C1CCC1)C(=O)N1CCSc2ccccc21 70040702 NSSUKWRSMIASPU-LLVKDONJSA-N 305.399 2.857 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CCCO1 8312129 NTODGSBWUWTKHJ-QGZVFWFLSA-N 313.401 2.627 0 40 DFAB O=C(Nc1cccc(CN2CCCC2=O)c1)OCC(F)(F)F 69742955 QLVZSSSVVSMQCD-UHFFFAOYSA-N 316.279 2.920 0 40 DFAB Cc1ccc(Cc2nc(-c3cnn4c(C)cc(C)nc34)no2)cn1 96405274 ALUYCMRQCMCIBT-UHFFFAOYSA-N 320.356 2.690 0 40 DFAB CC(=O)Nc1ccccc1OCc1ncn(-c2ccccc2)n1 92250426 YZGPPMPEHQNBHU-UHFFFAOYSA-N 308.341 2.805 0 40 DFAB Cc1noc([C@@H](C)NC(=O)/C=C/c2cn(C)c3ccccc23)n1 72302824 PQYIZPFCGRKWFL-ANYFNZRUSA-N 310.357 2.760 0 40 DFAB C[C@@H](NC(C)(C)CCS(C)(=O)=O)c1cc(F)c(F)c(F)c1 97037835 CABWGIIDPFDYEK-SECBINFHSA-N 323.380 2.968 0 40 DFAB CCc1cnccc1C(=O)Nc1cccc(N2C(=O)NC[C@@H]2C)c1 97034964 VPMLNKLYPVFKIJ-LBPRGKRZSA-N 324.384 2.814 0 40 DFAB C[C@H]1OCCN(C(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1C 97048655 NCBBETZHQVNMJC-CHWSQXEVSA-N 300.362 2.513 0 40 DFAB Cc1cccc(N2CCCN(C(=O)c3cccs3)CC2)n1 97163302 KTFSFYJRVAHELQ-UHFFFAOYSA-N 301.415 2.804 0 40 DFAB O=C1C[C@@H](c2nc([C@H]3CCOC3)no2)CN1C1CCCCCC1 84544043 IQABJSMEUPCHLQ-QWHCGFSZSA-N 319.405 2.612 0 40 DFAB CC[C@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)c1noc(C)n1 84734861 UGJHLYRPFBAYOI-UONOGXRCSA-N 318.352 2.955 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 408709316 ZLGWTWDMPQSZBK-YCPHGPKFSA-N 300.402 2.734 0 40 DFAB COc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)c(OC)c1 98079916 KFUOYRRJRKJRHW-UHFFFAOYSA-N 315.369 2.611 0 40 DFAB CCc1noc(CC)c1CNC(=O)Nc1nc(COC)cs1 88391707 HAKNDLODTSRJAT-UHFFFAOYSA-N 324.406 2.724 0 40 DFAB CN(C)CCCC1CCN(C(=O)NC[C@H]2CCCS2)CC1 95980824 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CCc1ncc(CN2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cn1 72343232 LVILTHVWZVEEJY-IAGOWNOFSA-N 322.412 2.582 0 40 DFAB O=C(NCC1CCCC1)[C@@H]1CCC(=O)N1Cc1cccs1 72239696 POCGVDJJLWFPPK-AWEZNQCLSA-N 306.431 2.546 0 40 DFAB CNC(=O)c1c(C)cccc1NC(=O)CO[C@H]1CCCC[C@@H]1C 79040251 VECUKXUGGJIYHB-WFASDCNBSA-N 318.417 2.888 0 40 DFAB CC1(C)[C@@H](C(=O)Nc2cc3c(cc2O)CCCC3)[C@H]1C(=O)O 71285979 WZOFDUSFSXBODD-KGLIPLIRSA-N 303.358 2.566 0 40 DFAB CC1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 72238160 MUIGNMCAWIVTDX-CJNGLKHVSA-N 320.458 2.916 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccncc1 72336916 IWCQWEVWWIPWKZ-GOEBONIOSA-N 305.385 2.695 0 40 DFAB O=C(NCC[C@H](O)c1ccco1)NCc1ccc(Cl)cc1 77112919 KGNCUCKJXXBTTC-ZDUSSCGKSA-N 308.765 2.856 0 40 DFAB CCCOC(C)(C)C(=O)Nc1cnc(OCCOC)c(C)c1 225903217 YGGJMRSDPVDHBJ-UHFFFAOYSA-N 310.394 2.559 0 40 DFAB CCOc1cc(CNC(=S)Nc2cccnc2)ccc1OC 225771654 RBFHORAQUKFQFT-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB Cn1cccc1CN(C(=O)NCCOc1ccccc1)C1CC1 75170200 BMCKWAUJBIMMBF-UHFFFAOYSA-N 313.401 2.778 0 40 DFAB O=C1NCC[C@H]1N1CCC(c2cccc(Br)c2)CC1 225633794 FVVONQGKXVYIHJ-CQSZACIVSA-N 323.234 2.517 0 40 DFAB COCCNC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(N)c1 225413225 KJPUTLDYWYCSAK-ZDUSSCGKSA-N 313.401 2.818 0 40 DFAB Cc1ccc(C[C@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225141128 CLLWYTOIPLEKIQ-LJQANCHMSA-N 324.424 2.813 0 40 DFAB Cc1ccc(C(=O)CCN2CCCC[C@H]2Cn2ccnn2)cc1 195568734 FUOSWWWCKWTCHE-KRWDZBQOSA-N 312.417 2.714 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@@H]1C[C@H]2C=C[C@@H]1C2 195530069 YGAUOQWWEWHPFY-IACUBPJLSA-N 321.384 2.690 0 40 DFAB COc1cc(NC(=O)N2CCCc3ccccc3CC2)ncn1 333296923 BQMHVOYONJXVTH-UHFFFAOYSA-N 312.373 2.508 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)C1 195529993 CQYGSRUFGFHXGH-DNVCBOLYSA-N 323.440 2.711 0 40 DFAB COc1ccccc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96209440 VOJMRUVCHSQUHD-HKUYNNGSSA-N 317.429 2.855 0 40 DFAB Cc1ccccc1-n1c(C)nnc1SC[C@@H](O)C(F)(F)F 97377996 LOKGEJKIROLWDJ-LLVKDONJSA-N 317.336 2.899 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)CC(C)(C)C)c1 96408256 RVQMWSZBWIORJA-NRFANRHFSA-N 311.447 2.956 0 40 DFAB Cc1cccc(C(=O)NCc2nnc(C(C)(C)C)s2)c1O 96467509 BJDKJIDMACQPPP-UHFFFAOYSA-N 305.403 2.780 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2c(F)cccc2Cl)n1 97103195 OBNQWWMPCNRTIU-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB Cc1nc(CNC(=O)NCC(C)(C)c2ccccc2Cl)no1 96439810 TXRWWZIBBWONPC-UHFFFAOYSA-N 322.796 2.808 0 40 DFAB C[C@@H](NC(=O)[C@@H]1COCCN1)c1ccc(-c2ccccc2)cc1 97228937 LYXIHSYTHXUIAB-KDOFPFPSSA-N 310.397 2.519 0 40 DFAB O=C(NCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1 96125652 ITUVMXFGIVPFPB-UHFFFAOYSA-N 314.429 2.749 0 40 DFAB CCc1cc(CNC(=O)N[C@H](C)COc2ccc(C)cc2)[nH]n1 95399109 BHWVSXIBMLGEKY-CYBMUJFWSA-N 316.405 2.547 0 40 DFAB O=C(CC[C@@H]1CCCO1)N[C@H]1CCN(c2cccc(Cl)c2)C1 96456424 NJKZIQCZGYRHNF-HOCLYGCPSA-N 322.836 2.994 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1 257274652 NLZCJIAGLGRFBR-WBVHZDCISA-N 300.402 2.609 0 40 DFAB CN(C)c1cccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 257333609 YCGVJQHDNYHYLB-IRXDYDNUSA-N 303.450 2.631 0 40 DFAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CC1CCCC1 257210477 BUUCXEMUTLLUNO-MRXNPFEDSA-N 317.433 2.525 0 40 DFAB COC(=O)Nc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 585140743 JCVPUVPHCSKMFZ-INIZCTEOSA-N 319.405 2.530 0 40 DFAB C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)CC(=O)C(F)F 953061122 PWFCZKGMZWEYFK-UWVGGRQHSA-N 319.348 2.673 0 40 DFAB CCC1(CC)[C@@H](OC(=O)c2cccc(C(=O)NC)c2)C[C@H]1OC 95418644 QWCHHIKKJLZWOR-CABCVRRESA-N 319.401 2.797 0 40 DFAB COc1ccc(Cl)c(NS(=O)(=O)N2CCC[C@@H](C)C2)c1 95960867 UXKCOUYBOVWYTR-SNVBAGLBSA-N 318.826 2.737 0 40 DFAB COCCn1nc(C)c(NC(=O)N(C)Cc2ccccc2)c1C 90818036 FYNCTHLRXAVKNX-UHFFFAOYSA-N 316.405 2.810 0 40 DFAB COCCCNC(=O)Nc1ccc(OC)cc1Br 96403596 ZXNCNNOLTGXXDS-UHFFFAOYSA-N 317.183 2.616 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 12866631 QMNJKBHVMKUIHU-UHFFFAOYSA-N 320.820 2.815 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)N1CCCCCCC1 13013573 VEDSBUUTPMKJQO-UHFFFAOYSA-N 318.417 2.608 0 40 DFAB CCOc1ccccc1OCC(=O)NCc1ccc(OC)cc1 15281052 YJPYTSSQSLXGJL-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB Cc1ccc([C@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2c2ccccc2)cc1 18031060 KZALQMWVVYVNMM-JYJNAYRXSA-N 308.337 2.969 0 40 DFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cs1 15243088 FIUYCNSAECRCSL-VIFPVBQESA-N 323.395 2.586 0 40 DFAB COC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 3481775 HBJQJNQSIBNRDY-UHFFFAOYSA-N 321.402 2.800 0 40 DFAB CCOC(=O)c1c(NC(=O)c2csnn2)sc(C)c1C 11914402 IZWDJFRIPHHHBV-UHFFFAOYSA-N 311.388 2.645 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1)N1CC(OC[C@H]2CCOC2)C1 1565523291 KXBMPWLGOHKHQW-ZRFDWSJLSA-N 321.804 2.617 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)C[C@@H]1c1c(F)cccc1Cl 6667787 AXRRFKUAFQWHQM-VIFPVBQESA-N 311.740 2.872 0 40 DFAB Cc1cc(C)nc(NC(=O)NCCCSc2ccccn2)n1 10188501 VHAUDYIBCVMRGN-UHFFFAOYSA-N 317.418 2.792 0 40 DFAB CCSc1nnc(NC(=O)CCc2c(C)n[nH]c2C)s1 49026430 ZUOMHNKPPQELSD-UHFFFAOYSA-N 311.436 2.561 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2ccc(C)n2C)cc1OC 1456863 OONIFSSWSCYJGA-JXMROGBWSA-N 314.385 2.680 0 40 DFAB O=S(=O)(c1cc(F)ccc1F)N(Cc1ccco1)C1CC1 40059560 RPHFIQFUKBKJLG-UHFFFAOYSA-N 313.325 2.911 0 40 DFAB CNC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C)ccc1F 50086614 BBPOUXOEAIGPLZ-QMTHXVAHSA-N 307.369 2.886 0 40 DFAB CCCN(C)C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 50137531 QGLGUWTUMKJIMC-JTQLQIEISA-N 306.341 2.988 0 40 DFAB O=C(Nc1cc(F)ccc1F)c1cn(-c2ccccc2)nn1 31873775 YIEUBLIDADVBHN-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2C=C[C@H]1C2 102175019 XUKVLLMZTCYHIQ-XMUKKISLSA-N 309.724 2.941 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)CCc2ccsc2)c1 32931510 YBRDEDGLJUIKJV-UHFFFAOYSA-N 316.426 2.747 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 2794778 ACGJEOKUSBVTDS-NSHDSACASA-N 310.357 2.875 0 40 DFAB CCc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1 1912830 HOHHACNXDXGKSS-UHFFFAOYSA-N 323.396 2.863 0 40 DFAB Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1C[C@@H]1c1cccnc1 78877125 CIMVLSFCWBZPOA-VXGBXAGGSA-N 305.765 2.624 0 40 DFAB O=C(Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O)c1ccco1 544885 AXIZUIIDCBDADW-JTQLQIEISA-N 323.308 2.828 0 40 DFAB O=C(COC(=O)C1CC1)NCc1ccc(Cl)cc1Cl 3392647 GZTVZVILQFJJED-UHFFFAOYSA-N 302.157 2.563 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2nnc3ccccn23)C1(C)C 53472419 DPOAVECCHGQNHO-XJKSGUPXSA-N 312.417 2.626 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)cc1 6315433 HATQTHPBYVSGRF-LLVKDONJSA-N 310.806 2.907 0 40 DFAB O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccccc1 6575563 HHCMOYAXJFBXPH-CQSZACIVSA-N 312.321 2.829 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 7943657 QEYQICLVHBESJC-UHFFFAOYSA-N 315.394 2.831 0 40 DFAB CCc1nc2n(n1)C[C@@H](NCc1cc(-c3ccccc3)no1)CC2 69739540 LPEBSEBOAUGAOV-AWEZNQCLSA-N 323.400 2.600 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1 8081025 XIYFAINJQCSOBL-AWEZNQCLSA-N 300.402 2.661 0 40 DFAB CCOc1ncccc1NC(=O)N(C)CCc1ccccn1 61522821 ZKEDEESWIYTZKF-UHFFFAOYSA-N 300.362 2.582 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2nccs2)C1 109052442 LHLGNXCYYVIWFR-ZDUSSCGKSA-N 318.446 2.822 0 40 DFAB COCCOCCOCCOc1ccc(Br)cc1 34211424 XYMRNKPBIQIHHI-UHFFFAOYSA-N 319.195 2.508 0 40 DFAB COC(=O)c1sccc1NC(=O)c1noc2c1C[C@H](C)CC2 20572157 JAXFBMGONSTCJL-MRVPVSSYSA-N 320.370 2.900 0 40 DFAB O=C(CSC(F)(F)F)Nc1cccc(-c2nnco2)c1 24741582 CMNHJBGJLJHSOR-UHFFFAOYSA-N 303.265 2.928 0 40 DFAB O=c1cc(CN(Cc2ccccc2)C2CC2)nc2ccccn12 25220599 SWJIVFKXFJUGHV-UHFFFAOYSA-N 305.381 2.859 0 40 DFAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cnn(C)c3)c12 25307929 LLVBINPUMMBULO-UHFFFAOYSA-N 323.312 2.777 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)C[C@H](C)O 107144775 RXKMMQNFELUPKT-YNEHKIRRSA-N 302.484 2.757 0 40 DFAB CCO[C@H](CC)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 57196151 ULNVKURQPOTJCJ-CQSZACIVSA-N 305.378 2.724 0 40 DFAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](n2ccnc2)C1 69918114 XUKDQYVONGPBKJ-CQSZACIVSA-N 312.348 2.981 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c2[nH]ncc2c1 69947561 TTZDSNZMQUZMKJ-OAHLLOKOSA-N 323.400 2.763 0 40 DFAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc2c(c1)CCC(=O)N2 71804947 FRTHKPUPQYNOLT-UHFFFAOYSA-N 316.357 2.545 0 40 DFAB COc1ccccc1-c1cc(NC(=O)CC[C@H]2CCCO2)[nH]n1 58224407 YQSXKGZXXJEBJU-GFCCVEGCSA-N 315.373 2.983 0 40 DFAB Cc1cc([C@@H]2CCCN2CCS(=O)(=O)c2ccccc2)on1 44975695 JKBLPJZDLIJKSE-HNNXBMFYSA-N 320.414 2.594 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355024 ICFBIUNUNBPFBG-XJKSGUPXSA-N 306.381 2.652 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c(s1)CCCCC2 58377476 RYPPZOOUTKDVDJ-YPMHNXCESA-N 320.458 2.743 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1cnn(Cc2cn3ccccc3n2)c1 58393772 YGQJZPZAHWHPKP-AWEZNQCLSA-N 321.384 2.874 0 40 DFAB Cc1cnc(NC(=O)c2nn(C)c(C)c2Br)s1 28222609 AGRFVPADJQLUQA-UHFFFAOYSA-N 315.196 2.508 0 40 DFAB O[C@@H](COC[C@H]1C[C@@H]2CC[C@@H]1C2)Cn1cnc2ccccc21 101244493 CIJJBJLKHGUXOZ-KLHDSHLOSA-N 300.402 2.850 0 40 DFAB Cc1csc(NC(=O)[C@]2(C)Oc3ccccc3N=C2O)n1 36365146 QXKGVGVTFWDYOV-CQSZACIVSA-N 303.343 2.829 0 40 DFAB O=C(O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 2476542 HHFWSGXOCIFCCZ-UHFFFAOYSA-N 308.717 2.789 0 40 DFAB COCCCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 48363294 BFFUKGACULHDHA-SFHVURJKSA-N 312.369 2.643 0 40 DFAB CCOC(=O)c1ccc(OCCOC)c(Br)c1 8722854 JQOVDFRVXFKAQN-UHFFFAOYSA-N 303.152 2.651 0 40 DFAB CC(C)(C)c1noc(CNc2ccc(Cl)cc2C(N)=O)n1 63481530 KPKHMJIWRZJSNK-UHFFFAOYSA-N 308.769 2.732 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2cnc3ccccc3n2)s1 13987453 ZNMIRAHRWKKKRF-BQYQJAHWSA-N 311.370 2.696 0 40 DFAB NC(=O)CN(C(=O)/C=C/c1cccc2cccnc12)C1CCCC1 65479553 QPRLDDRUBWYDDE-ZHACJKMWSA-N 323.396 2.505 0 40 DFAB Cc1ccc(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)n1 92975566 CWIZHYVVPHKSSS-QGZVFWFLSA-N 302.349 2.808 0 40 DFAB COc1cc2c(=O)[nH]c(-c3cccnc3)nc2cc1OC(F)F 65578807 CRLYKDZVNKPSSQ-UHFFFAOYSA-N 319.267 2.595 0 40 DFAB CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCCCCC1 65592220 FKSAFQPDFJIOLP-UHFFFAOYSA-N 317.433 2.621 0 40 DFAB COc1cccc(CNC(=O)c2cc(Br)c[nH]2)c1 14184032 MHHOTMSVNKOSNW-UHFFFAOYSA-N 309.163 2.716 0 40 DFAB O=C(O)CCCC(=O)Nc1ccnn1Cc1ccccc1Cl 6847367 CWDRGBBMPWXXTN-UHFFFAOYSA-N 321.764 2.778 0 40 DFAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(N)=O)o3)cc2C1 4937657 MMIQOLIURVITGX-YUMQZZPRSA-N 323.443 2.889 0 40 DFAB CC(C)(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1 5905009 QBEUMRNIDLBLEM-UHFFFAOYSA-N 310.397 2.873 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccc[nH]1)c1ccc2ccccc2c1 96009081 UKWWXZWWTFNSKJ-INIZCTEOSA-N 308.337 2.812 0 40 DFAB O[C@@H]1CCCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C1 7368179 AULPYPPJXHALKO-SNVBAGLBSA-N 320.336 2.739 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2)cc1OC 7973328 OFHCJEAVSNKSOY-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB Cc1ccn2c(=O)cc(CNCc3ccccc3Cl)nc2c1 7984710 VOEMVMGXBHUBQO-UHFFFAOYSA-N 313.788 2.946 0 40 DFAB O=C(/C=C/c1ccccn1)NCc1cccnc1N1CCCCC1 68912470 HHPOUAQZLUQUDZ-MDZDMXLPSA-N 322.412 2.797 0 40 DFAB NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 69388512 NKWQBAAEOYODPD-GFCCVEGCSA-N 314.307 2.576 0 40 DFAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@H](C)CC3)c2n1 71842005 DZNCWNUBUYOBAZ-NSHDSACASA-N 300.406 2.917 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)c3cc[nH]n3)cs2)cc1 69533536 VFEMTNAGBMUOKJ-UHFFFAOYSA-N 312.398 2.814 0 40 DFAB Cn1ccc2c(C(=O)N3CCN(c4ccncc4)CC3)cccc21 69532169 SGZZBFHRLZJSGX-UHFFFAOYSA-N 320.396 2.536 0 40 DFAB O=C(Cc1ccc(OCc2ccccc2Cl)cc1)NCCO 69630030 VCAMYASIUMCFFN-UHFFFAOYSA-N 319.788 2.570 0 40 DFAB Cc1cc(C(=O)NCc2nc[nH]n2)c(C)n1[C@@H](C)c1ccccc1 95394933 NWNVOCRDODDXGI-ZDUSSCGKSA-N 323.400 2.762 0 40 DFAB Cc1cccc(Cl)c1S(=O)(=O)N1CC(c2cccnc2)C1 72140085 JJHPHVCUMJWZGQ-UHFFFAOYSA-N 322.817 2.832 0 40 DFAB CCc1nnc(CN[C@@H](C)c2cccc(N3CCCC3)c2)n1C 97033680 XQUGPNGZZUSRMA-AWEZNQCLSA-N 313.449 2.829 0 40 DFAB Cc1nc([C@@H]2CCCN(c3ncnc4ccsc34)C2)no1 72279209 WXDXNMSZCUHHIU-SNVBAGLBSA-N 301.375 2.767 0 40 DFAB CCCn1cc(NC(=O)NC[C@H](C)c2ncc(C)s2)cn1 97113324 DWXMMPYZYQWKGU-JTQLQIEISA-N 307.423 2.983 0 40 DFAB C[C@@H](NC(=O)c1ccn2ccnc2c1)[C@@H]1COc2ccccc21 95438410 PIVOGWKQDIHQEM-DOMZBBRYSA-N 307.353 2.629 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)CS(C)(=O)=O 95985002 ADDSWGBCJXKVRE-NXEZZACHSA-N 324.273 2.947 0 40 DFAB Nc1ccc2c(N3CCSc4ccccc4C3)ncnc2n1 95976689 FHOMAYHELOGAGX-UHFFFAOYSA-N 309.398 2.719 0 40 DFAB CC(C)c1noc([C@H](C)N2CCC(OC3CCOCC3)CC2)n1 95960790 SWNBDFQGCIINJT-ZDUSSCGKSA-N 323.437 2.914 0 40 DFAB CCCO[C@H]1CCCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 95978399 KZAQUVORJSLQQY-WFASDCNBSA-N 307.438 2.938 0 40 DFAB COc1cccc([C@@H]2CCCN2CC(=O)NCc2ccco2)c1 9902332 UMGUBKVXAKXDAX-KRWDZBQOSA-N 314.385 2.742 0 40 DFAB Cc1ccc(N2CCC[C@H]2COC(=O)c2ccsc2)nn1 89652328 ZGPNJTIOUDVIPR-ZDUSSCGKSA-N 303.387 2.672 0 40 DFAB O=C(Cc1c[nH]c2ccc(F)cc12)NCC1(O)CCCCC1 75209586 VKSGKQYLRMCUGY-UHFFFAOYSA-N 304.365 2.661 0 40 DFAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 36773863 RAHLQXROOBYZNS-GOSISDBHSA-N 322.408 2.660 0 40 DFAB CNc1cc(Nc2nccc([C@H]3CCCN3C(C)C)n2)ncn1 72377456 YYSJNHVPSKFBNE-CYBMUJFWSA-N 313.409 2.597 0 40 DFAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21 217435993 CVYWVAYSMDKNGF-XRGAULLZSA-N 323.348 2.643 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)o1 180551444 XFTIVOXBXDTQPU-UHFFFAOYSA-N 314.219 2.732 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Cc1ccccc1F)CC(C)C 31705074 GDJPLYPMLFBDRN-AWEZNQCLSA-N 324.396 2.645 0 40 DFAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ncc[nH]2)n1 72355626 KOELJHJVURGKNJ-HNNXBMFYSA-N 308.389 2.636 0 40 DFAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2)cc1 138994435 UMHSHBOPAGQZQU-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1F 87294821 LXJXIKKXEUKINA-PXAZEXFGSA-N 320.364 2.995 0 40 DFAB CC[C@H](C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 222488308 XJDYMPVMDYGLSM-URXAQBOPSA-N 315.369 2.793 0 40 DFAB O=C(NCCCF)N1CCc2cc(Br)ccc2C1 195580082 FBOJYBXDTPKHDR-UHFFFAOYSA-N 315.186 2.876 0 40 DFAB CCOc1ccccc1CNC(=O)COc1ccc(OC)cc1 44880206 NMMTWSNQSBQCKS-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB C[C@@]1(C(=O)NCc2ccccc2)NC(=O)c2ccccc2S1 41128158 KITVWFHOBCDLJD-QGZVFWFLSA-N 312.394 2.555 0 40 DFAB C[C@@H]1c2c(F)cccc2CCN1C(=O)CCOCC(F)F 195579800 CJMJJPFZXVPYHE-SNVBAGLBSA-N 301.308 2.943 0 40 DFAB CC1(CN2CCc3sc(Br)cc3C2)COC1 95097544 IRRQSIFUAJWASU-UHFFFAOYSA-N 302.237 2.905 0 40 DFAB CC1(C)CN(c2nnc(-c3ccccc3)s2)CC[S@]1=O 95410449 HWOZVEGTOBOVOQ-FQEVSTJZSA-N 307.444 2.552 0 40 DFAB Cc1nc(N(C)C)sc1C(=O)N[C@@H](C)CNc1ccccc1 96496676 LCWPMPQZHVVVMZ-NSHDSACASA-N 318.446 2.748 0 40 DFAB COc1ccc(NCc2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1 95534860 QURKYBLMWHPRDF-MRXNPFEDSA-N 323.400 2.668 0 40 DFAB COC(=O)N1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 93400884 FGUCIHOPGTTYIA-LLVKDONJSA-N 323.462 2.903 0 40 DFAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1c(F)cccc1Cl 96123064 UVXFNVFRKOEAEW-SNVBAGLBSA-N 309.728 2.889 0 40 DFAB CC1(C)CC[C@H](CNC(=O)N2CCC(c3nccs3)CC2)O1 242242339 XTZMNXAINYFVIU-CYBMUJFWSA-N 323.462 2.990 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257324732 WPXSGKCSHUKFNR-AWEZNQCLSA-N 323.396 2.667 0 40 DFAB O=C(/C=C/c1ccoc1)NC[C@H](c1ccsc1)N1CCC1 252540551 PLRFZVNKJWXDCQ-XYBNCVKDSA-N 302.399 2.918 0 40 DFAB c1ccc(N2CCCC2)c(CN2CCO[C@H](c3cnccn3)C2)c1 257222561 DTSWIRLYWNWFPC-IBGZPJMESA-N 324.428 2.650 0 40 DFAB COc1ccc([C@H](CN(C)C)NCc2csc(C)n2)cc1 283880122 HCKFGLMZHLFMEA-INIZCTEOSA-N 305.447 2.853 0 40 DFAB O=C(CC1(C(=O)O)CCCCCC1)N1CC[C@H](OC(F)F)C1 634936283 FIOPEYVZEIIVAF-NSHDSACASA-N 319.348 2.642 0 40 DFAB O[C@@H](CN1C=C(c2cccc(Cl)c2)NN1)C1CCCCC1 642813634 AKBJZJPHOVQILB-INIZCTEOSA-N 307.825 2.904 0 40 DFAB C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)COC1=O 1350717616 WSBOCHIWURUNHG-LJQANCHMSA-N 323.348 2.841 0 40 DFAB COc1ccc(OC)c(NC(=O)[C@H](C)OCC(F)(F)F)c1 31675276 ZEBOPCWPDWBFHF-QMMMGPOBSA-N 307.268 2.610 0 40 DFAB Cc1occc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 71893719 JVTNWAUHIYCYMU-CYBMUJFWSA-N 318.760 2.777 0 40 DFAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@H]1COCCO1 71884440 PQLNFEXVOCQEQZ-OAHLLOKOSA-N 317.316 2.972 0 40 DFAB O=S(=O)(Cc1cnn(CCF)c1)c1ccc(Cl)c(F)c1 899503670 XANLYPQAXYQBDE-UHFFFAOYSA-N 320.748 2.619 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1sccc1C 87066087 YNJXDTZGYXIEEN-NSHDSACASA-N 319.434 2.545 0 40 DFAB CCc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)c1F 270943703 NBHWBJMEJGXVHU-UHFFFAOYSA-N 307.325 2.948 0 40 DFAB CO[C@@H]1CCC[C@H](OC(=O)c2cn(Cc3cccs3)nn2)C1 76878047 JRUBGIWHMANSBC-NEPJUHHUSA-N 321.402 2.502 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1 107554146 USIQPMGDZBXNAJ-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB COC(=O)c1ccc(Cl)c(CN(C)CC2CCOCC2)c1 97080435 SYPPMJWQHUCMJX-UHFFFAOYSA-N 311.809 2.985 0 40 DFAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 5184068 LBQQNPVKFZHOIU-UHFFFAOYSA-N 304.296 2.528 0 40 DFAB Cc1ncsc1-c1nnc(CNC(=O)c2cccc(F)c2)o1 19563285 NMPMBVCBGHWWJE-UHFFFAOYSA-N 318.333 2.571 0 40 DFAB CN(CCOc1ccccc1)Cc1ccnc(N2CCCC2)n1 19586168 UVFUBMZHUKXMIF-UHFFFAOYSA-N 312.417 2.588 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 19746577 TXQLSFCHSZVLKM-HNNXBMFYSA-N 305.422 2.628 0 40 DFAB CC(C)n1nccc1NC(=O)C(=O)Nc1ccc2c(c1)CCC2 164065172 IJUDVLHHJLIPAT-UHFFFAOYSA-N 312.373 2.530 0 40 DFAB CC(=O)NCC(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206880136 OICVKHVOFAQSKX-CQSZACIVSA-N 308.809 2.572 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC(c2c[nH]c3ccccc23)CC1 11265215 KIQSPFQBELBIFE-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB Cc1cccc(N2CCN(c3nccn4nccc34)CC2)c1C 1889179216 FUTALROGESQJLS-UHFFFAOYSA-N 307.401 2.673 0 40 DFAB C[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 21821862 MVVMYZAQGQRPCR-QWRGUYRKSA-N 316.323 2.753 0 40 DFAB CC[C@H](C(=O)N1CCCN([C@H]2CCOC2)CC1)c1ccccc1 1565522457 QNHTZSQEZHWJRU-ROUUACIJSA-N 316.445 2.503 0 40 DFAB COc1ccc(CC[C@@H]2NC(=O)c3ccccc3O2)cc1OC 9142692 ZHDGUJFJPYNMIN-QGZVFWFLSA-N 313.353 2.785 0 40 DFAB COc1cccc(C=O)c1OCCCSc1nnc(C)o1 8731611 JWBRDOQELCJEAK-UHFFFAOYSA-N 308.359 2.760 0 40 DFAB Cc1cc([C@@H](O)CCNC(=O)NCc2cccs2)c(C)o1 85562059 DDLBLCHWTIPVJB-AWEZNQCLSA-N 308.403 2.881 0 40 DFAB CC[C@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 40081488 CSAUOPZEKPEJGV-FUHWJXTLSA-N 317.477 2.528 0 40 DFAB CCCCCC(=O)Nc1ccc2[nH]c(N3CCOCC3)nc2c1 40119677 DHLKUIIAHYENDV-UHFFFAOYSA-N 316.405 2.918 0 40 DFAB COc1ccc(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 40108230 WVAZBUCFIKNEPL-YOEHRIQHSA-N 305.418 2.949 0 40 DFAB CSc1nc2[nH]c(-c3ccc4ccccc4c3)cc(=O)n2n1 100133373 KUFVPYMRYNCJOQ-UHFFFAOYSA-N 308.366 2.960 0 40 DFAB Fc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1F 30901019 BDKSWWPLALGTFF-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CN(C)CC(C)(C)CNC(=S)Nc1ccc(F)cc1F 20835342 OLTRKLKBPCAFGZ-UHFFFAOYSA-N 301.406 2.839 0 40 DFAB Cc1cc(-c2nn3c(Cc4ccccc4C)nnc3s2)n(C)n1 385058 IJGAPYKAQRSZLG-UHFFFAOYSA-N 324.413 2.794 0 40 DFAB COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC 489253 NWXASCBITHSPTM-UHFFFAOYSA-N 316.401 2.782 0 40 DFAB biogenic Cc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O 38408 XUPWNRFRMKCFQS-UHFFFAOYSA-N 318.398 2.790 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)NCc2cccnc2)cc1 76018986 ZMECUXSPCYHRMR-LBPRGKRZSA-N 302.399 2.887 0 40 DFAB CC(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1Cl 1343460 BQDOOQMLZQXLHD-ZDUSSCGKSA-N 309.797 2.861 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)s1 95424016 WQSDUGHSZQLJDW-CQSZACIVSA-N 303.383 2.976 0 40 DFAB O=C(Cc1ccccc1)NCCc1ccc(-n2cccn2)cc1 22682224 QQVQRBLYOHIGLI-UHFFFAOYSA-N 305.381 2.774 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)c2cc(Cl)cn2C)cc1 53796303 KTQOPNKKWLCCCK-UHFFFAOYSA-N 319.792 2.562 0 40 DFAB Fc1cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nc1 97047932 RTOAGPPEWUDOLP-UHFFFAOYSA-N 315.274 2.673 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N[C@H](C)CCc2ccccc2)C1 109022689 ANSJYRCEZVAPNI-LSDHHAIUSA-N 310.463 2.574 0 40 DFAB Cc1ccc(N2C[C@H](CNC(=O)c3cccs3)CC2=O)cc1 8986564 CCRKDQYICUHVAO-ZDUSSCGKSA-N 314.410 2.839 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccnn2[C@@H](C)C[C@H]1C 105657212 GEDLDOUFHYDQFB-NWDGAFQWSA-N 323.393 2.879 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2ccc(C)o2)c(C)nn1C 72234256 BSDHOKCGEJAXDM-LBPRGKRZSA-N 303.362 2.616 0 40 DFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1nccs1 43160352 QOKMLTIDSCQKHF-LBPRGKRZSA-N 302.403 2.791 0 40 DFAB O=C(Cn1cccnc1=O)Nc1ccc(-c2ccccc2)cc1F 25125584 IRCONDKRSIXHSH-UHFFFAOYSA-N 323.327 2.688 0 40 DFAB CC(=O)Nc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1Cl 26226057 OAAZLGKKSDKWIY-HNNXBMFYSA-N 317.776 2.937 0 40 DFAB Cc1cc(C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)no1 57356337 DXRSAGXZGZYHIM-UHFFFAOYSA-N 300.293 2.869 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100395094 HFWAHWIOXYPHKM-UJARPBSLSA-N 322.408 2.726 0 40 DFAB Cc1noc(C)c1CC(=O)OCc1cn2cc(Cl)ccc2n1 12628724 CKPIXFGHYVONMS-UHFFFAOYSA-N 319.748 2.878 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)on1 24924472 CQKZDMJAULFAPC-LBPRGKRZSA-N 306.749 2.904 0 40 DFAB Cc1csc(N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)n1 48165866 BKPSWRUWXOGEQX-UHFFFAOYSA-N 319.430 2.932 0 40 DFAB O=c1ccc2c([nH]1)CCC[C@@H]2Nc1nccc(C(F)(F)F)n1 44715218 FBPUUBPCNGPBCX-JTQLQIEISA-N 310.279 2.673 0 40 DFAB Cc1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1F 58179788 ZUIYBRGWBPSIED-UHFFFAOYSA-N 320.408 2.901 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(-n3nccc3C)c2)c1 58228661 IRWUQSLBLQPWMT-UHFFFAOYSA-N 308.341 2.964 0 40 DFAB Cc1ccc(N2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)nn1 107712825 YJQYVYOEVGYWRJ-RDJZCZTQSA-N 305.422 2.586 0 40 DFAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1F 101276427 QTICFROZRUBGTI-CYBMUJFWSA-N 302.280 2.709 0 40 DFAB Cc1nc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)c(Cl)cc1Cl 3425774 SYADVSLPWYLXJK-POYBYMJQSA-N 317.172 2.835 0 40 DFAB Cc1ccc(S(=O)(=O)CNC(=S)c2cccc(C)c2)cc1 8828865 HHPVVVKWNBSVMR-UHFFFAOYSA-N 319.451 3.000 0 40 DFAB CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 3582788 CTNQYSGWGSNWOZ-UHFFFAOYSA-N 323.396 2.654 0 40 DFAB COc1ncccc1CNCc1c(C(C)C)nn(C)c1Cl 48711286 NFRDGGLGLMMJEC-UHFFFAOYSA-N 308.813 2.890 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)N[C@@H](CCO)C1CC1 97599097 RXRRNXGKDODSLL-NSHDSACASA-N 302.296 2.988 0 40 DFAB COC(=O)[C@]1(F)CCN(C(=O)Nc2cccc3ccccc23)C1 72735425 PGWXOEWSIMGZNP-KRWDZBQOSA-N 316.332 2.959 0 40 DFAB Cc1nn(C[C@H](C)NCc2ccc3nonc3c2)c(C)c1Cl 67447401 KHEOHMKRSWEXJB-VIFPVBQESA-N 319.796 2.868 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCc2cc(F)ccc21 65475456 XMKXQCZVVCYCII-INIZCTEOSA-N 302.397 2.711 0 40 DFAB Cc1ncc(C(=O)NCCn2c(C)nc3ccccc32)s1 65414135 HULKJVDLNCMWFQ-UHFFFAOYSA-N 300.387 2.540 0 40 DFAB COc1ccc(Cl)cc1NCCC(=O)Nc1cnn(C)c1 65487920 BCOMSKCZRRDJCX-UHFFFAOYSA-N 308.769 2.523 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2nc3ccccc3[nH]2)c1C 95348858 RNQDJPPGRSWZKR-UHFFFAOYSA-N 310.357 2.640 0 40 DFAB Cc1nc([C@H]2CN(c3nc4ccccc4s3)CCO2)no1 95393676 VDNBZUIFPPXELG-LLVKDONJSA-N 302.359 2.566 0 40 DFAB COC(=O)C[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1 4751468 SLFWKZLVTGWZEQ-DGCLKSJQSA-N 324.760 2.713 0 40 DFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nccs1 14898398 PSUXPBTYNJBPLQ-LLVKDONJSA-N 301.371 2.673 0 40 DFAB O[C@H](CN[C@H]1CCCc2ccccc21)COCc1ccco1 5936051 RVSVIQBLLVPPDG-QAPCUYQASA-N 301.386 2.824 0 40 DFAB CC[C@@H](NC(=O)CCc1cnn(C)c1)c1cc(F)ccc1F 96419080 IIZNWJJGGJDIHJ-OAHLLOKOSA-N 307.344 2.898 0 40 DFAB COc1ccc(-c2csc(N3CCCC3=O)n2)cc1OC 8150754 GLWRHAYEQVBETN-UHFFFAOYSA-N 304.371 2.954 0 40 DFAB NC(=O)COc1ccc(CNCc2cccc3ccccc23)cc1 71837048 YHYSXEDQJLPHMH-UHFFFAOYSA-N 320.392 2.994 0 40 DFAB O=C(c1ccn(-c2ccccc2)n1)N1CCN(C2CCCC2)CC1 71841998 GEHUNDGALCKQOC-UHFFFAOYSA-N 324.428 2.573 0 40 DFAB Fc1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCCC2)nc1 71837151 GRGOAYPVLKHSMP-KRWDZBQOSA-N 312.392 2.993 0 40 DFAB CSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 17029167 VUNUFNCWEAEXJJ-UHFFFAOYSA-N 319.367 2.619 0 40 DFAB CCc1nc(C)ncc1C(=O)N1CCN(CC)c2ccccc21 83817549 KRNYLKVRPGLCDR-UHFFFAOYSA-N 310.401 2.834 0 40 DFAB CCNC(=O)CN(CC)C(=O)Cc1cc(Cl)ccc1Cl 69589182 XATSPZONXCKOMJ-UHFFFAOYSA-N 317.216 2.521 0 40 DFAB C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(OC(F)(F)F)cc1 69617205 VFRIEWDHUOKJAC-SMDDNHRTSA-N 318.339 2.566 0 40 DFAB COc1ccc(F)cc1CS(=O)(=O)Cc1csc(C)n1 69627241 RLTSKEGTMHTUCM-UHFFFAOYSA-N 315.391 2.714 0 40 DFAB C[C@@H]1SCCN(Cc2nnnn2C2CC2)[C@H]1c1ccccc1 71911185 ROWPSYLABAHKFJ-BLLLJJGKSA-N 315.446 2.687 0 40 DFAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NC1CCCCC1 18266995 KZZVYWOIKDALNI-SNVBAGLBSA-N 324.808 2.916 0 40 DFAB CN(C)c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 8710530 MLVYNYABGOTBFJ-SFHVURJKSA-N 311.429 2.785 0 40 DFAB Cc1nc([C@@H]2COCCN2Cc2c(F)cccc2Cl)no1 95999950 KQVLQDJXVMIIFW-ZDUSSCGKSA-N 311.744 2.744 0 40 DFAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](CCO)C(C)(C)C)C2 95993440 DWDDUDQGZYNCHE-JKSUJKDBSA-N 305.418 2.520 0 40 DFAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCc2ccccc2)C1 95999957 GGSAAWLIXXFJHY-MRXNPFEDSA-N 312.417 2.790 0 40 DFAB C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 95985010 YUFGCFYAJWMEHO-DJIMGWMZSA-N 309.475 2.811 0 40 DFAB COc1ccccc1N1CCC[C@H](NC(=O)NC2CC=CC2)C1 89473860 FVUNLQGKPWDOBP-HNNXBMFYSA-N 315.417 2.682 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(=O)[nH]1 75119027 XVYSIGLIZZXBCL-CYBMUJFWSA-N 318.373 2.789 0 40 DFAB Cc1cccc([C@@H](C)NC(=O)NC[C@]2(O)CCSC2)c1C 89686411 WQRUQKKTXCZNLP-CZUORRHYSA-N 308.447 2.532 0 40 DFAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1cc(C)nn1C 89611873 IZQYCXXHZZWFCA-UHFFFAOYSA-N 315.373 2.647 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1cccc(-c2nnc(C)o2)c1 89736414 FBQKPBNKTMZCTR-KGLIPLIRSA-N 302.330 2.769 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cnc(C)cn1 89949284 PKGYWDTWWHBOQP-OAHLLOKOSA-N 310.401 2.656 0 40 DFAB COc1ccc2c(c1)OC[C@@H](N[C@@H]1CCC13CCOCC3)C2 548793247 VLJDRXCKVSJEHV-WMLDXEAASA-N 303.402 2.548 0 40 DFAB C[C@H]1CN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 36802826 KVFJQGUOLLWFDD-GRUGELQESA-N 320.477 2.569 0 40 DFAB O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccccc1 72330075 RLFYFBLRUKOEDA-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324660 URTJAOJQCOZJRW-YPMHNXCESA-N 308.809 2.737 0 40 DFAB CCOC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccoc2)c1 79354956 RUBIZHAWTUAMJG-NSHDSACASA-N 302.330 2.895 0 40 DFAB CCc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1 31976094 WWGYPBXQDFNBCT-UHFFFAOYSA-N 304.371 2.958 0 40 DFAB Cc1cc(=O)c(O)c([C@@H](CC(=O)O)c2ccc(O)c(Cl)c2)o1 1547139691 XYWWPLGAFPHNNV-VIFPVBQESA-N 324.716 2.619 0 40 DFAB biogenic C[C@@H](CCc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 35806846 KXOJRQBVERPZBE-HNAYVOBHSA-N 308.425 2.838 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1 36635732 ASJWRKSQBOYNAN-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB C[C@H](NC(=O)N(C)CC1(c2ccccc2)CC1)[C@H]1CCCO1 187503896 ZCZNATKFZNXBRO-GOEBONIOSA-N 302.418 2.927 0 40 DFAB CCCN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCNC1 566100289 UWOFHHNWCSTPOJ-OAHLLOKOSA-N 302.418 2.690 0 40 DFAB CC[C@H](C)C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 72390195 FAPDDGYSUJJFHW-ZDUSSCGKSA-N 304.438 2.757 0 40 DFAB CCc1ccc(CC)c(NC(=O)N(C)CC2(O)CCOCC2)c1 225456160 FWBZXBGCUCEEKM-UHFFFAOYSA-N 320.433 2.817 0 40 DFAB CCC[C@@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 195554810 GCEIVXIMYAAHOC-CQSZACIVSA-N 310.825 2.837 0 40 DFAB O=C(COc1ccn(-c2ccccc2)n1)NCc1ccccc1 226853599 BVVQVWHBQJWPFE-UHFFFAOYSA-N 307.353 2.568 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C(C)C)on1 88391529 WPHCIIZLIDHPOV-JTQLQIEISA-N 318.381 2.609 0 40 DFAB CCC(CC)(CNC(=O)c1cccc(Cl)c1)S(C)(=O)=O 96432865 NAZWNPOFEYZVJX-UHFFFAOYSA-N 317.838 2.673 0 40 DFAB CN(C)[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 96200832 AHPWKHVUTNMCCL-SJORKVTESA-N 301.459 2.890 0 40 DFAB COc1cccc(CN2CCC(OC3CCOCC3)CC2)c1 96417887 IEDNIHHYTZCDCX-UHFFFAOYSA-N 305.418 2.855 0 40 DFAB COc1ccc2c(c1)C1(CCN([C@@H]3CCOC3)CC1)C[C@@H]2OC 96241863 XLYGZWGTECXOLM-KDOFPFPSSA-N 317.429 2.909 0 40 DFAB CC[C@H](C(=O)N(Cc1ccccn1)C(C)(C)C)N1CCCC1=O 331246811 UYUYKEYFJGBQAP-OAHLLOKOSA-N 317.433 2.610 0 40 DFAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1 96184279 LQAFBENBNDAQLP-DLBZAZTESA-N 304.409 2.699 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccn(-c2ccc(F)cc2)n1 90944359 VJTNYVFQGUVDEG-HBUWYVDXSA-N 316.424 2.830 0 40 DFAB CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)CC3=CCCCC3)C2)O1 96218997 CGRIHUGPSGVTCG-PKOBYXMFSA-N 320.477 2.979 0 40 DFAB Cc1ccc(CN2CCc3onc(Cn4ccnc4)c3C2)s1 96259773 FIPANHBSISTKFT-UHFFFAOYSA-N 314.414 2.848 0 40 DFAB O=C(c1cc(C2CCCCC2)no1)N1C[C@H]2C[C@H](O)C[C@H]2C1 257314180 UVQSVEWDRSTFIX-WDNDVIMCSA-N 304.390 2.565 0 40 DFAB CNc1cnc(C[C@H]2CCCN(Cc3cscn3)CC2)cn1 257209160 BPGBBSPGCDZMDS-ZDUSSCGKSA-N 317.462 2.820 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cnccn3)cc2[nH]1 257241629 HYVHZQNDAFGTOF-MRXNPFEDSA-N 307.357 2.639 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3scnc3C)n2)C1 257244025 IJOCVHUUHWSPNY-ZDUSSCGKSA-N 316.430 2.710 0 40 DFAB Cc1ncc2cncc([C@@H]3CCCN(Cc4cncs4)C3)n12 257199697 AANKKIGKIJMVIO-CYBMUJFWSA-N 313.430 2.874 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H]2NCCCC[C@@H]21 257230748 GDSFRTXOCXAJNP-ZBFHGGJFSA-N 318.465 2.773 0 40 DFAB CC1(c2ccn[nH]2)CCN(Cc2ccc3c(c2)OCCO3)CC1 257302142 SBRQAMCGVRTZOV-UHFFFAOYSA-N 313.401 2.735 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1 257213966 CJWQSIUDPHURSO-WBVHZDCISA-N 302.418 2.855 0 40 DFAB CCN(Cc1ccccc1Cl)[C@@]1(C)CCS(=O)(=O)C1 575421838 RYULYYPNHVMZMZ-AWEZNQCLSA-N 301.839 2.739 0 40 DFAB Cc1cc(-c2noc(CNc3ncnc4sccc34)n2)no1 575615171 CIVDSVHMDOMROS-UHFFFAOYSA-N 314.330 2.650 0 40 DFAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@@H]1CCCO1 49674601 PXEJUDVNXQKILK-ABAIWWIYSA-N 305.422 2.813 0 40 DFAB O=C(c1ccccc1OCc1ccccc1Cl)N1CC(O)C1 84505935 DFEBYQNPSJLKLE-UHFFFAOYSA-N 317.772 2.736 0 40 DFAB C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)n3nccc3[nH]2)C1 75138216 ULCBCUUPGLFWOA-IBGZPJMESA-N 322.412 2.576 0 40 DFAB Cc1oc(CNC(=O)c2ccn(C3CCCC3)n2)cc1C(=O)O 97231305 DZSDCEUAAIZOJP-UHFFFAOYSA-N 317.345 2.528 0 40 DFAB C[C@@H](CNC(=O)c1ccc2ccccc2n1)CC1(C)OCCO1 97594366 VKEGNFUNDIYTNQ-CYBMUJFWSA-N 314.385 2.754 0 40 DFAB CC[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1cc(C)on1 12822774 RLWVMHACQYLTST-GFCCVEGCSA-N 306.293 2.696 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1nccs1 13097263 WRNPOCQEZPHJPM-HWKANZROSA-N 302.355 2.956 0 40 DFAB Cc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(F)c3F)C2)n1 19117981 UDEWFPZDRJBKBS-ZDUSSCGKSA-N 319.355 2.736 0 40 DFAB Cc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1 19784083 NKMPWAWPCYBNLY-OAHLLOKOSA-N 309.321 2.807 0 40 DFAB CC(=O)Oc1cs/c(=N\c2cccc(C(C)=O)c2)n1C(C)=O 5375762 HVSQJNVGICXYNL-NXVVXOECSA-N 318.354 2.570 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2c(=O)[nH]1 6971419 ULDUHFKSZBQJBY-HNNXBMFYSA-N 320.348 2.782 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1ccc(Cl)cc1 9171544 CYHCVJOCZBNIHJ-UHFFFAOYSA-N 316.744 2.715 0 40 DFAB COc1cccc([C@H](CNc2ncnc3ncccc23)OC)c1 1775970516 OYYKXDMYUAAZFV-HNNXBMFYSA-N 310.357 2.833 0 40 DFAB c1ccc(N2C[C@H]3CN(Cc4cc(C5CC5)on4)C[C@@H]3C2)nc1 2298049373 FPDAUCKMUHGBBR-HUUCEWRRSA-N 310.401 2.515 0 40 DFAB O=C(O[C@H]1CCCCC1=O)c1cc(Cl)c2c(c1)OCCO2 21498534 SFJJLKWBZQYSMA-LBPRGKRZSA-N 310.733 2.780 0 40 DFAB Cc1cc(C)n2nc(SCc3nnsc3Cl)nc2n1 29807801 LXMIYHAPNABZRA-UHFFFAOYSA-N 312.811 2.538 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N(Cc1cccs1)C1CC1 46464009 ASKKZAAMNPGJLB-LBPRGKRZSA-N 304.419 2.707 0 40 DFAB Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 557568 HUSYLJAYTPERAL-UHFFFAOYSA-N 314.366 2.851 0 40 DFAB CC1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1 2780713 DDOLHQPOSVMDQC-UHFFFAOYSA-N 309.719 2.964 0 40 DFAB Cc1ccc2c(Cl)c(C(=O)NN3CCOCC3)sc2c1 2748314 JFSBLUNEBLKYPI-UHFFFAOYSA-N 310.806 2.840 0 40 DFAB COc1ccc(CCNC(=O)NCc2scnc2C)cc1 78446496 OQZYJHXRSDCMPO-UHFFFAOYSA-N 305.403 2.502 0 40 DFAB COc1cccc([C@H](Cc2ccccc2)NC[C@@H](C)O)c1OC 1666324 ZHZJTNMMMGZJNB-PBHICJAKSA-N 315.413 2.958 0 40 DFAB CC1(C)CC(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC(C)(C)N1 103136760 LMFZXVRFXAOBQA-OBJOEFQTSA-N 309.523 2.948 0 40 DFAB O=C(NCCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccsc1 25189504 TVIASZZFNPBSMU-UONOGXRCSA-N 320.458 2.907 0 40 DFAB CC(C)OCCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 47682425 PIBYKPZSJKDQBE-OAHLLOKOSA-N 323.437 2.531 0 40 DFAB Cc1csc(N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 107312077 SYUOVECRSNIAQY-SOUVJXGZSA-N 319.474 2.926 0 40 DFAB Cc1nn(-c2nc3c(Cl)cccc3s2)c(C)c1C(N)=O 57351344 MLMVHEAQABDXPD-UHFFFAOYSA-N 306.778 2.851 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 26543519 LNXVGCSRQXPHSE-UHFFFAOYSA-N 317.366 2.625 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccc(C)cn3)c(=N)oc12 57523751 OFOIDGOWIBWMCI-UHFFFAOYSA-N 309.325 2.877 0 40 DFAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC1CC1 3253623 BKSACXVPUIYFNQ-UHFFFAOYSA-N 323.348 2.746 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc(Br)c1 3218214 GNRLSAWMJACRTD-LDYMZIIASA-N 312.163 2.587 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(C)ccc2n1C)C(=O)O 12664386 OWKGGHSMHAIXDE-NHYWBVRUSA-N 302.374 2.716 0 40 DFAB biogenic C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@H]1C2 108924789 NLVUYHIOWJDERC-FIQHERPVSA-N 315.339 2.843 0 40 DFAB COC(=O)CCCN(C)C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 58341480 MRWHUMDHUTTWSS-WGDOYQSBSA-N 305.374 2.828 0 40 DFAB O=C1O[C@@H](C(=O)Nc2cccc3ncccc23)Cc2ccccc21 12601930 QKZDMLPARDBFIA-QGZVFWFLSA-N 318.332 2.955 0 40 DFAB O=C(N1C[C@@H]2CC[C@@H]1C2)C1(c2cccc(F)c2)CCOCC1 102774743 JUMBUXSNHNCTRW-CZUORRHYSA-N 303.377 2.885 0 40 DFAB Cc1ccc2c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c2c1 2583102 URCBNXYBBPLKFU-CQSZACIVSA-N 318.373 2.997 0 40 DFAB COc1ccc2cc(CN(C)C(=O)Cn3ccnc3)ccc2c1 29594368 QDPUIDVJCRCMSP-UHFFFAOYSA-N 309.369 2.704 0 40 DFAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)ccc21 62220657 ONEYFEYZMHYRKJ-ZIAGYGMSSA-N 308.337 2.874 0 40 DFAB CC(C)Nc1nnc(S[C@@H](C)C(=O)NC(C)(C)C)s1 9050855 KRCVXWUCGVIXFA-QMMMGPOBSA-N 302.469 2.754 0 40 DFAB Cc1nnc(SCC(=O)N[C@@H](C)C(C)C)n1-c1ccccc1 6109182 GNSSKJOJIWPUDQ-LBPRGKRZSA-N 318.446 2.829 0 40 DFAB COCC1(C(=O)N2CCC([C@H](O)c3cccs3)CC2)CCC1 65374557 KNVLCWGYVAKQET-HNNXBMFYSA-N 323.458 2.837 0 40 DFAB Cc1nc(N2CC[C@@H](C(N)=O)C2)c2c(CC(C)C)csc2n1 65474480 GOTJRZAZCRMNLA-LLVKDONJSA-N 318.446 2.510 0 40 DFAB CCOc1ccc(/C=C/C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 65550786 SWSVHFVIYYXRAA-PYUISTEWSA-N 314.429 2.795 0 40 DFAB COc1cccc([C@H]2CCCN2c2ncnc3c2cnn3C)c1 14322859 BUIHZRLGOQOZRZ-OAHLLOKOSA-N 309.373 2.713 0 40 DFAB CO[C@H](CNc1cc(C)nc2ncnn12)c1ccccc1Cl 301697886 ZZXZRCPYCBNKDW-CYBMUJFWSA-N 317.780 2.886 0 40 DFAB CO[C@@H]1CCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 96003172 LTRAHJNRDMFPSZ-UONOGXRCSA-N 308.388 2.950 0 40 DFAB CCc1noc(C)c1C(=O)Nc1cc(NC(C)=O)ccc1OC 9385074 IDOIZVGKMHJMFV-UHFFFAOYSA-N 317.345 2.765 0 40 DFAB C/C(=C\C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1Cl 96257465 BPRIIEBAQNUNCC-ZRDIBKRKSA-N 320.820 2.857 0 40 DFAB OCc1ccc(CN2CCC[C@H](Oc3ccc(Cl)cn3)C2)o1 93769837 VVLFBVAHEDXCLL-ZDUSSCGKSA-N 322.792 2.864 0 40 DFAB O=C(CC1(O)CCCC1)N[C@H](c1ccccc1)c1ccccn1 70037594 UZLTXRZRROPUMK-GOSISDBHSA-N 310.397 2.982 0 40 DFAB CCOc1ccc2cc(C(=O)N3CCCN(CC)CC3)[nH]c2c1 69463194 ZYVBDGAVBDWUBS-UHFFFAOYSA-N 315.417 2.734 0 40 DFAB O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCCC2)nn1 69414540 VMBPNSMRINSYKG-UHFFFAOYSA-N 319.368 2.877 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3ccccc23)n1 69563657 WWPFXWRXVCOMMH-CQSZACIVSA-N 308.389 2.507 0 40 DFAB O=C1NC[C@H]2CN(Cc3cc(-c4ccccc4)cs3)CCN12 91865386 XRZPUYVEGANMJJ-HNNXBMFYSA-N 313.426 2.625 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(-n2ccnc2)c1 71910400 ZFXSNHKDWPSASP-GFCCVEGCSA-N 323.400 2.714 0 40 DFAB COC[C@@H](NC(=O)NCc1ccc(C)c(F)c1)c1ccco1 84183261 NJBCKXGSUWJWNA-CQSZACIVSA-N 306.337 2.914 0 40 DFAB O=C(O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1 72333122 JMWIDIDUJIEVFF-UHFFFAOYSA-N 300.705 2.681 0 40 DFAB in-vitro CC(C)NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 97056232 DGDOOVFAZJNGMT-GFCCVEGCSA-N 310.266 2.682 0 40 DFAB Cc1cnn(C2CN(Cc3cc(-c4cccs4)on3)C2)c1 72253854 SABBRCYCSQBKTP-UHFFFAOYSA-N 300.387 2.965 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97143237 HLWBUJJHTQTLJP-WBVHZDCISA-N 314.385 2.870 0 40 DFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccn1)CC3 72324550 HVRDJMOLGPXPIC-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB biogenic Cc1nc([C@@H](C)NC(=O)Cc2cccc(F)c2)sc1C(=O)O 97235298 PPYRLZJCDKTOLB-SECBINFHSA-N 322.361 2.709 0 40 DFAB C[C@@](CO)(NC(=O)Nc1ccc(F)cc1OC(F)F)C1CC1 84640199 WIGLFOGVTAPRFT-AWEZNQCLSA-N 318.295 2.710 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 95438413 YJGQKKZQCMCDNE-CABZTGNLSA-N 317.414 2.788 0 40 DFAB COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C(N)=O)C1 95430321 CSUGPWUXBQNSNC-SECBINFHSA-N 317.216 2.699 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc3c(c2)OCCO3)cn1 95464183 QJFLRAOZMLRSFV-UHFFFAOYSA-N 314.341 2.642 0 40 DFAB COc1ccccc1NC(=O)C[C@@H](C)NCc1scnc1C 95421973 YISDWHFHMQESDE-LLVKDONJSA-N 319.430 2.967 0 40 DFAB O[C@@H](COCc1cccs1)Cn1nccc1-c1ccncc1 95438833 GBEQNXGUUMUCOR-CQSZACIVSA-N 315.398 2.584 0 40 DFAB COC(=O)CN(CC1CC1)C(=O)c1ccc2[nH]c(=S)oc2c1 73262905 XCLLJQVRUPBHFE-UHFFFAOYSA-N 320.370 2.516 0 40 DFAB CC(C)(NC(=O)c1ccc(OC(F)F)cc1)C(C)(C)C(=O)O 95961152 UQJGGLNKTVZRAY-UHFFFAOYSA-N 315.316 2.907 0 40 DFAB CCc1ncnc(N2CCN(c3ccc(Cl)cn3)CC2)c1F 89280110 CBXFBYZRUDLWOR-UHFFFAOYSA-N 321.787 2.553 0 40 DFAB CCc1cc(NC(=O)N2CCO[C@@H](c3cccs3)C2)n(C)n1 89282801 DCSUSXNUUUGMFG-GFCCVEGCSA-N 320.418 2.649 0 40 DFAB CCc1nc(CC(=O)N[C@H](CC(=O)O)c2cccs2)cs1 89289903 IYPIZBPINFLQMB-SNVBAGLBSA-N 324.427 2.642 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)N1CCSc2ncccc21 89969128 RUGAJQNIXOKJRS-LBPRGKRZSA-N 307.419 2.615 0 40 DFAB C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cc1ccc2c(c1)CCCC2 89930209 PYTFEOVDNZNYQF-HUUCEWRRSA-N 300.446 2.659 0 40 DFAB Nc1nnc(SCC(=O)Nc2ccccc2C(F)F)s1 408543039 NCRGQBXULLSOCQ-UHFFFAOYSA-N 316.358 2.789 0 40 DFAB COc1ccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 36635733 XCJAZZFYKTWXPN-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C(N)=O)C(C)C)CC2 188135600 SRQUKTBFTROYCE-JKSUJKDBSA-N 317.433 2.606 0 40 DFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 78554381 IYNSVEOAWABJPN-UHFFFAOYSA-N 319.386 2.539 0 40 DFAB Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)n1 72367311 DATPYQITGDKNBK-MRXNPFEDSA-N 307.463 2.690 0 40 DFAB CSc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccco1 42381895 QCJZWHLNHMSQTP-NSHDSACASA-N 318.398 2.687 0 40 DFAB CC(C)[C@@H]1COC(=O)N1C1CCN(C(=O)OC(C)(C)C)CC1 40448228 LWNSOVAVKNHEBI-ZDUSSCGKSA-N 312.410 2.863 0 40 DFAB Cc1cccc(-c2nnc3sc(C4=CCN(C)CC4)nn23)c1 226250260 ZUJMGPMFJQMYPN-UHFFFAOYSA-N 311.414 2.880 0 40 DFAB O=C(O)CCc1cnc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O 223447372 HNWVQFLPYAUAMQ-UHFFFAOYSA-N 313.140 2.761 0 40 DFAB COCC1(CCNC(=O)[C@@H]2COc3cc(C)c(C)cc32)CC1 571212013 LNPYSRCVHAMHAB-OAHLLOKOSA-N 303.402 2.712 0 40 DFAB CCN(C)CCNC(=O)[C@@H](C)c1ccc(Br)s1 80267729 KLWGGMQIBDMUPN-VIFPVBQESA-N 319.268 2.682 0 40 DFAB COc1ccc(C(=O)c2ccncc2N)cc1Br 199712383 IKXKINMEGKZVII-UHFFFAOYSA-N 307.147 2.666 0 40 DFAB FC(F)(F)c1ccc(NCCc2nnc3n2CCCC3)nc1 225591517 YOZGANNWDHLRKI-UHFFFAOYSA-N 311.311 2.683 0 40 DFAB COc1ccc2c(c1)N(C(=O)c1n[nH]c3c1CCC3)CCCC2 329778727 QJZYFRSORCVICO-UHFFFAOYSA-N 311.385 2.890 0 40 DFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 41091204 FCUSRTKJPGINAB-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB O=C(C[C@@H]1CNCCO1)Nc1cccc(Oc2ccccc2)c1 195531124 RVWLPZITQOPOQI-QGZVFWFLSA-N 312.369 2.796 0 40 DFAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1OC 225803899 BVNPXGNLYOQONM-UHFFFAOYSA-N 321.373 2.770 0 40 DFAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2CO)cc1OC(F)F 96434924 XCHOEKBNTONAQQ-PWSUYJOCSA-N 314.332 2.879 0 40 DFAB CCOc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@H](C)O)C1 96497110 AAWJPLOGZMMTLJ-RYUDHWBXSA-N 311.809 2.972 0 40 DFAB CCc1noc(C2CCC(N[C@H]3CCC[C@@]3(C)CO)CC2)n1 95996890 OHDMVFHUZJGYCW-QKRUXVEJSA-N 307.438 2.799 0 40 DFAB CC(C)c1nnc(CSc2ccccc2S(C)(=O)=O)o1 96410914 AJRUEEXRSQWABV-UHFFFAOYSA-N 312.416 2.889 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)NC[C@H](O)c1cccs1 96415537 SJHLYVVEERZNAD-RISCZKNCSA-N 322.405 2.851 0 40 DFAB CCOC(=O)[C@@]1(F)CCCN(C(=O)OCc2ccccc2)C1 90463597 MNEPWJSXJMBERP-MRXNPFEDSA-N 309.337 2.690 0 40 DFAB Cn1ccnc1CN1CCC2(CC1)CC(Oc1cccnc1)C2 96159346 CPPIJTFJSMQQKE-UHFFFAOYSA-N 312.417 2.639 0 40 DFAB CC(C)=CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 96449239 DUOHTIJQNHDNQM-CYBMUJFWSA-N 320.408 2.930 0 40 DFAB C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(C(=O)O)cc1 237391553 WWHIUSBKIJXNIS-IUODEOHRSA-N 305.374 2.596 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOC[C@H]1CCCO1 247949685 JLPBXLLGVLYDFU-KBAYOESNSA-N 305.418 2.644 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 253370535 SDJWHVCKGXCUJY-CBBWQLFWSA-N 313.511 2.642 0 40 DFAB CCOc1ccc([C@H](COC)NC(=O)N2CCSCC2)cc1 252490938 LFSQECYOVYGOLW-HNNXBMFYSA-N 324.446 2.531 0 40 DFAB Cn1nccc1CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 24650679 PZGOQOGHXPZUNN-UHFFFAOYSA-N 303.365 2.921 0 40 DFAB CCc1cccc(NC(=O)Nc2cnc(-n3ccnc3)nc2)c1 85555602 RMQIHUCRAWMOAE-UHFFFAOYSA-N 308.345 2.869 0 40 DFAB Cc1cc(C)cc([C@@H]2NC(=O)[C@@H](c3cc(C)cc(C)c3)NC2=O)c1 390825854 JARDSIXFMTXCRQ-HDICACEKSA-N 322.408 2.949 0 40 DFAB CCc1ncc(NC(=O)NCc2nc3c(s2)CCCC3)cn1 930491828 TUYSKCPZBKCGRS-UHFFFAOYSA-N 317.418 2.696 0 40 DFAB Cc1cncnc1N1CCN(Cc2c(F)cccc2Cl)CC1 1413871608 RNGSIXBZMXKPTL-UHFFFAOYSA-N 320.799 2.900 0 40 DFAB CC(C)OCc1cccc(CN[C@H](C(N)=O)c2ccccc2)c1 56171652 NCIFFYDBEURGII-SFHVURJKSA-N 312.413 2.928 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@H](c1ccccc1)n1cccn1 58403246 ARHGUZFMPABWPO-KRWDZBQOSA-N 306.369 2.526 0 40 DFAB O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)N1CCc2ccccc21 95426808 ROGHFFMEGFWPEY-YOEHRIQHSA-N 318.442 2.813 0 40 DFAB Cn1ncc(Br)c1NC(=O)OCc1ccccc1 205602985 JSIGZJZTWAEUQO-UHFFFAOYSA-N 310.151 2.931 0 40 DFAB CC(=O)c1c(F)cccc1NCCS(=O)(=O)c1ccccc1 91460271 CGWYJAKCARJRND-UHFFFAOYSA-N 321.373 2.914 0 40 DFAB C[C@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(Cl)cn1 5657890 FIZAAVJBIRVICJ-VIFPVBQESA-N 324.789 2.909 0 40 DFAB COc1ccc(-c2cc3nccc([C@H]4CCCNC4)n3n2)cc1 12154348 ZLVPJLUZMCATQB-AWEZNQCLSA-N 308.385 2.872 0 40 DFAB Cc1cccc(C(=O)NCc2nnc(-c3scnc3C)o2)c1 19234436 JVTFUOOWGAJBHI-UHFFFAOYSA-N 314.370 2.740 0 40 DFAB COc1ccc([C@H]2CCCN2Cc2ccnn2C)cc1OC 19658554 VFZUEIFPTQQVFQ-OAHLLOKOSA-N 301.390 2.774 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)s2)C1 153147879 FATUGVDCEYLSRE-LLVKDONJSA-N 324.450 2.909 0 40 DFAB Cc1ccc(OC(=O)c2cccc(S(C)(=O)=O)c2)cc1C 3566095 HAKNQGUWZSZJPC-UHFFFAOYSA-N 304.367 2.926 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC(Nc2ccncn2)CC1 1888853616 UEHNEYZESFTFJU-UHFFFAOYSA-N 316.792 2.847 0 40 DFAB O=C(N[C@H]1CCCN(c2nc3ccc(F)cc3s2)C1)C1CC1 1889114128 BGHSGBKPOPTOJX-LBPRGKRZSA-N 319.405 2.930 0 40 DFAB CCCCc1nnc(NC(=O)c2ccc(C(=O)OC)cc2)s1 14660591 ZOGOLYNMUYAIPI-UHFFFAOYSA-N 319.386 2.920 0 40 DFAB Cc1cc(C)n2ncc(CN3CCCC[C@@H]3c3cc[nH]n3)c2n1 1848355434 LRRQYSCBHPTCTC-MRXNPFEDSA-N 310.405 2.796 0 40 DFAB C[C@@]1(C(=O)NC[C@H]2COc3ccccc3O2)CC1(Cl)Cl 22689618 QARLIANRCVQXNI-ZANVPECISA-N 316.184 2.527 0 40 DFAB COC(=O)c1cc(I)cc(C2CC2)c1 1857780029 YJCSJYAICDACPJ-UHFFFAOYSA-N 302.111 2.955 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)NCc3ccccc3)ccc21 22507135 JPSWCFGBEDPNOD-UHFFFAOYSA-N 309.369 2.917 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 8132555 RWXZKNVHTWHKON-QMMMGPOBSA-N 322.224 2.535 0 40 DFAB O=C(C1CCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 40162118 OHECONDKWMDWJI-UHFFFAOYSA-N 322.836 2.663 0 40 DFAB CCCc1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 40497187 NULKPOBWGIEVKC-CQSZACIVSA-N 305.353 2.735 0 40 DFAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 31402707 GYWCCQNKEKUOIG-OAHLLOKOSA-N 314.433 2.543 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 40525895 YBXCJIXOBUIDPA-SNVBAGLBSA-N 312.316 2.772 0 40 DFAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1 21005512 XLGIBNSAGIXXKS-UHFFFAOYSA-N 320.396 2.521 0 40 DFAB COc1ccc(NC(=O)COc2nc(C)nc3ccccc23)cc1 21361103 OFIBABRUMNVVHG-UHFFFAOYSA-N 323.352 2.964 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1 32725804 IECRBFOQMZQUKG-XJKSGUPXSA-N 311.385 2.865 0 40 DFAB Fc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1 424469 FLDFGCKIHQHZBR-UHFFFAOYSA-N 311.345 2.837 0 40 DFAB COC[C@@H](O)CNc1nc2cc(C(F)(F)F)ccc2s1 76063368 LRNPVBFRRWEOAU-QMMMGPOBSA-N 306.309 2.734 0 40 DFAB CC(=O)Nc1nc(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)cs1 76022886 JDCFIVFDEPJURU-UHFFFAOYSA-N 321.406 2.666 0 40 DFAB COc1ccc([C@H]2CCN(CC(=O)Nc3ccncc3)C2)cc1 78737251 OSXJFPDYRYWBAI-HNNXBMFYSA-N 311.385 2.518 0 40 DFAB Cc1cnc(CCNC(=O)Nc2cccc([S@@](C)=O)c2)s1 78937454 BDDJMFNYIKODSP-NRFANRHFSA-N 323.443 2.553 0 40 DFAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)C(C)(C)C)[C@]2(O)C(F)(F)F 6523019 PYTHXMVZNBSUAX-VYUIOLGVSA-N 306.328 2.918 0 40 DFAB O=C(O)CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 37589007 AZRZDCSMDVCCMW-UHFFFAOYSA-N 319.304 2.988 0 40 DFAB CCOc1ccccc1CNC(=O)COc1ccccc1F 53163159 ZKVHRBAJNQNFTR-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB COc1cc(CN[C@@H](C)c2ccncc2)cc2c1OCCO2 71831322 UFZXZUXLAKJGNX-LBPRGKRZSA-N 300.358 2.712 0 40 DFAB O=C1Nc2c(c(-c3ccccc3)n[nH]c2=O)[C@H](c2ccccc2)N1 24926860 AHJBLFXCWSLFOI-AWEZNQCLSA-N 318.336 2.661 0 40 DFAB COC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 55874715 NEVZCENSKQFJQC-UHFFFAOYSA-N 316.332 2.592 0 40 DFAB COc1ccc(C2=C[C@H](c3ccco3)n3ncnc3N2)cc1OC 100834924 NCEURJZUKUYMAE-CYBMUJFWSA-N 324.340 2.944 0 40 DFAB CCCNC(=O)COC(=O)c1cc(SC)ccc1Cl 3297266 ZRRBAKQABDLXQB-UHFFFAOYSA-N 301.795 2.745 0 40 DFAB CC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccc(OC)cc1 27346915 FGAFKRLUYBZTIA-HNNXBMFYSA-N 317.389 2.841 0 40 DFAB CCn1c(CN(C)C(=O)CC[C@H]2CCCO2)nc2ccccc21 58295352 BZZCUWVDOMIVGN-CQSZACIVSA-N 315.417 2.974 0 40 DFAB CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)Cc1cccc(Cl)c1 58278779 TWSPMEVMFREFTG-VXGBXAGGSA-N 310.825 2.550 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccoc2)c1 58201174 HIAMXEXIFVJEIH-UHFFFAOYSA-N 316.313 2.553 0 40 DFAB CCOCCNC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC 44967932 FKBCQVLUVQSTBB-OAHLLOKOSA-N 322.405 2.587 0 40 DFAB CCc1nc(CN2CCCc3c(C(N)=O)cccc32)cs1 44977478 OHJVEFRQBMWKFG-UHFFFAOYSA-N 301.415 2.757 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H]1CCOc2ccccc21 27996263 WVUGCMRCYZZCJL-LLVKDONJSA-N 303.387 2.747 0 40 DFAB O=C(CNc1ncnc2ccccc12)OCCOc1ccccc1 3381988 TZRQNAWVRIGEIH-UHFFFAOYSA-N 323.352 2.664 0 40 DFAB c1ccc(-n2nnnc2Sc2ccc3nsnc3c2)cc1 62711124 ACIWJLFUBZBFMJ-UHFFFAOYSA-N 312.383 2.818 0 40 DFAB Cc1n[nH]c(SCc2cc(=O)c3cccc(Cl)c3[nH]2)n1 21099036 ALULHFBDHHAONC-UHFFFAOYSA-N 306.778 2.900 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cncn1-c1ccccc1 8720071 BEMSKABMZSOUCJ-UHFFFAOYSA-N 307.309 2.853 0 40 DFAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)oc2ccc(Cl)cc12 29632294 NOBLSQLFPJBSFA-UHFFFAOYSA-N 320.776 2.732 0 40 DFAB Cc1noc([C@H](C)N2CCN(c3cccc(C)c3C)CC2)n1 27814827 CJEHYKVLHYZPPO-AWEZNQCLSA-N 300.406 2.878 0 40 DFAB CC(C)[C@H](C)NC(=O)COC(=O)c1c(F)cccc1Cl 3523627 DMKDRIUTNWSVAI-VIFPVBQESA-N 301.745 2.797 0 40 DFAB C[C@H](Cn1cccn1)NC[C@H](O)c1cc(Cl)ccc1Cl 49075856 PNTAXYRIXZDCPO-YGRLFVJLSA-N 314.216 2.902 0 40 DFAB Cc1cc2c(OC[C@H](O)CNCc3ccco3)cccc2[nH]1 4084730 RVSBHWUUPHHHAC-CYBMUJFWSA-N 300.358 2.599 0 40 DFAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(C(C)(C)CO)CO3 13624636 VAARKOVFSKFSIB-UHFFFAOYSA-N 317.385 2.587 0 40 DFAB COc1ccc(-c2cc(C(=O)NCCO)c3ccccc3n2)cc1 8991207 BBOGQFDWVQKZMW-UHFFFAOYSA-N 322.364 2.633 0 40 DFAB CCOC(=O)[C@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910188 WNCSZYAIOGIGCH-ZETCQYMHSA-N 307.234 2.755 0 40 DFAB Cn1ncc2c(NCc3ccccc3)nc(N3CCCC3)nc21 4374946 CKHSOYMBBNPHNT-UHFFFAOYSA-N 308.389 2.576 0 40 DFAB Cc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1 4385384 AGSQBKAXKQIMBI-UHFFFAOYSA-N 309.413 2.999 0 40 DFAB CC(C)(C)c1noc(COc2ccc(-c3nnco3)cc2)n1 65594802 ODUVQQNAZLBWIU-UHFFFAOYSA-N 300.318 2.996 0 40 DFAB CCCCN(CCO)C(=O)Nc1cc(Cl)ccc1OC 65562245 MULLBLXGZUGTQI-UHFFFAOYSA-N 300.786 2.975 0 40 DFAB CCOCCOc1ccccc1C(=O)Nc1cccc(N)c1 19736680 AQMACSLHSZWGLM-UHFFFAOYSA-N 300.358 2.936 0 40 DFAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H]1Cn1cccn1 70040816 UKNQNNJOHBELRP-LBPRGKRZSA-N 307.756 2.980 0 40 DFAB CN(C(=O)[C@H]1COCCO1)c1ccccc1Oc1ccccc1 69440379 AKGZLSIGOWRASM-QGZVFWFLSA-N 313.353 2.857 0 40 DFAB O=C(NCc1cccnc1)c1ccc(Br)cc1F 17169142 UQRJWBUANGSFBN-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(C(N)=O)c2)c1 69517612 CNZMTGMJCUTYKR-ROUUACIJSA-N 322.408 2.856 0 40 DFAB CC(C)Sc1ccc([C@@H](C)NC(=O)CNC(=O)C2CC2)cc1 69770760 XBCXTDRNMKOCFF-GFCCVEGCSA-N 320.458 2.891 0 40 DFAB Cc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2F)cn1 69704120 HQXSEONNYDCNII-UHFFFAOYSA-N 324.359 2.955 0 40 DFAB COc1ccc(-c2nc(CNC(=O)c3ccccc3C)n[nH]2)cc1 69738659 DCXKZCQQONMJEA-UHFFFAOYSA-N 322.368 2.719 0 40 DFAB Cc1ccn2cc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)nc2c1 69875983 VKUNFCWBSKWUAN-OAHLLOKOSA-N 323.400 2.625 0 40 DFAB Cc1noc([C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)n1 69815496 YKGDUUWIJBMUTE-HBWSCVEGSA-N 321.402 2.665 0 40 DFAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 83735055 ADPZYFYTKLBPAK-ZNMIVQPWSA-N 317.437 2.689 0 40 DFAB COC(=O)CCN(C(=O)c1cncc(C)c1)c1cccc(F)c1 84101573 XLUJYRVCNOJOCX-UHFFFAOYSA-N 316.332 2.739 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)[C@H]2CC=CCC2)C(=O)O)c1 97018732 TYDMQRXSFXPUKP-HOTGVXAUSA-N 301.386 2.711 0 40 DFAB C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1 97038989 RAAUWSUIXJKTFJ-ABAIWWIYSA-N 313.344 2.538 0 40 DFAB c1cc2ccc(-c3noc(CCN4CCSCC4)n3)cc2[nH]1 72406121 HJMIHWKMSSRDBS-UHFFFAOYSA-N 314.414 2.809 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CCO1 72278397 VSBNOJKLRFUJHL-SNVBAGLBSA-N 306.749 2.856 0 40 DFAB CCN(CC)C(=O)CCNC(=O)c1ccc(F)c(Cl)c1F 97138705 DTNJPBNJDGDJGT-UHFFFAOYSA-N 318.751 2.607 0 40 DFAB COc1c(CNc2nnc(-c3cc(C)oc3C)o2)c(C)nn1C 97375393 OSKFQZNIKCKZDC-UHFFFAOYSA-N 317.349 2.609 0 40 DFAB COc1cccc(NC(=O)N2CC[C@@H](CN(C)CC3CC3)C2)c1 72731564 OLGXTVVSROAPCX-HNNXBMFYSA-N 317.433 2.891 0 40 DFAB CC(C)c1nnc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 84631261 CGEQFJYYNDLZRX-GFCCVEGCSA-N 324.425 2.634 0 40 DFAB O[C@@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccccc1 95418285 SLDNSYVZDIESAC-INIZCTEOSA-N 306.369 2.727 0 40 DFAB Cc1ccn2c(CNC[C@H]3CCCn4cc(C)nc43)cnc2c1 95402056 LIXKVMXBRAYPOL-OAHLLOKOSA-N 309.417 2.815 0 40 DFAB COc1ccc2nc(SCc3nc(C4CC4)n[nH]3)[nH]c2c1 95457230 RBBBTZIGOOPVME-UHFFFAOYSA-N 301.375 2.859 0 40 DFAB C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccccn1 95428041 MQYYPKBRFXWJAT-SNVBAGLBSA-N 312.341 2.742 0 40 DFAB Cc1nnc2ccc(N3CCS[C@H](c4ccccc4)C3)nn12 95973039 BPPVIHVEXPCPAY-AWEZNQCLSA-N 311.414 2.727 0 40 DFAB CCc1cnc(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)s1 95995069 MTZGSTOFWGBYFW-LLVKDONJSA-N 311.451 2.851 0 40 DFAB O=C(Nc1ccccc1Cl)N1CCC[C@H](Cn2cncn2)C1 95995011 DQPIWEIQIHSBOT-LBPRGKRZSA-N 319.796 2.876 0 40 DFAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H]1C[C@@H]1c1ccco1 95977900 DLYBNBLNYSXDFU-RYUDHWBXSA-N 306.362 2.768 0 40 DFAB CCc1sc(C(=O)NCC2CCN(CCOC)CC2)cc1C 89280295 WGJLOULIZKVBNO-UHFFFAOYSA-N 324.490 2.707 0 40 DFAB CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cn(C)nc1-c1ccccc1 89286588 XVERZFCHYOPUPW-ACJLOTCBSA-N 315.417 2.614 0 40 DFAB Cc1ccn2c(=O)cc(COc3ccc(F)c(F)c3)nc2c1 9953459 PXQGUNXJTCQJHC-UHFFFAOYSA-N 302.280 2.860 0 40 DFAB Cc1cccnc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1 89700570 IFBHNDNOXIUKRK-UHFFFAOYSA-N 319.430 2.969 0 40 DFAB O=C(NCc1cccnc1)N[C@@H](c1ccccc1)[C@H]1CCCO1 75582407 WXZRYARMOGXTAY-SJORKVTESA-N 311.385 2.801 0 40 DFAB O=C(CCc1cccc(Cl)c1)Nc1c[nH]nc1[C@H]1CCNC1 1549741218 AGBBOXWEWQEDKA-LBPRGKRZSA-N 318.808 2.711 0 40 DFAB COc1cccc2c(SCC(=O)N3CCCC3)nccc12 36708179 ADNCFCZNWNJNPK-UHFFFAOYSA-N 302.399 2.958 0 40 DFAB CC(C)c1ccc(NC(=S)NCCCN2CCOCC2)cc1 38240545 CKUSCNONGOUSSQ-UHFFFAOYSA-N 321.490 2.819 0 40 DFAB O=C(COCC(=O)N1CCCCCC1)Nc1cccc(Cl)c1 72243038 KQMAESTUOZPVAR-UHFFFAOYSA-N 324.808 2.698 0 40 DFAB O=C(C[C@@H]1CCCO1)NCc1c(F)cccc1OC(F)F 73280985 NZNMJIQILPPICM-VIFPVBQESA-N 303.280 2.612 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 72351215 HMTZSZNRRYIVLJ-OAHLLOKOSA-N 306.369 2.978 0 40 DFAB CC(C)n1cncc1CN1CCC([C@](C)(O)C(F)(F)F)CC1 567495028 ZYYFRMFSINYHPJ-AWEZNQCLSA-N 319.371 2.989 0 40 DFAB COC(=O)Cn1cnc2c(-c3ccccc3C)csc2c1=O 44166707 HOLBIBHGEIWDLO-UHFFFAOYSA-N 314.366 2.606 0 40 DFAB COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1 225916022 NJWYNJSCMHPBFF-UHFFFAOYSA-N 305.374 2.957 0 40 DFAB Nc1nn(-c2ccc(Cl)cc2Cl)nc1Br 89262532 KDBBEHRELAIODO-UHFFFAOYSA-N 307.966 2.919 0 40 DFAB Cc1ccccc1-c1noc(CN(C)C(=O)c2cccnc2)n1 225433888 MQSINLFXSGFAKQ-UHFFFAOYSA-N 308.341 2.712 0 40 DFAB COCN1C(=O)CCc2cc(NC(=O)C[C@@H]3C=CCC3)ccc21 191329991 VZPIVZTURHGPJE-CYBMUJFWSA-N 314.385 2.865 0 40 DFAB CCCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 81361771 GCDDKYCNDDMDPD-DOTOQJQBSA-N 316.445 2.743 0 40 DFAB C[C@@H](NC(=O)C1CC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296963 IOBKNESBSWFJEX-MRVPVSSYSA-N 318.304 2.766 0 40 DFAB biogenic,in-vitro CC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)[C@H]1CCCO1 96490660 LIACGMAMMXXMHF-RRFJBIMHSA-N 320.437 2.831 0 40 DFAB CC(C)N(CC(C)(C)O)C(=O)NCc1c(F)cccc1F 96483820 QIQBMCBULWHCBD-UHFFFAOYSA-N 300.349 2.656 0 40 DFAB CC(C)[C@@H](O)Cc1nc(-c2ccc(Br)o2)no1 97379290 QWFZODTZGOOVNY-ZETCQYMHSA-N 301.140 2.652 0 40 DFAB Cc1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)o1 96058843 HWZZNEUKPRESJJ-UHFFFAOYSA-N 316.405 2.512 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)CO1 96105774 DTAATLDZHZMMPD-QGZVFWFLSA-N 317.429 2.582 0 40 DFAB c1ccc(OC[C@]23CCCO[C@H]2CCN(CC2CC2)C3)nc1 96057086 DBSSLVAYWJDCEV-FUHWJXTLSA-N 302.418 2.742 0 40 DFAB COc1ncc(Br)cc1C(=O)N1CCCCCC1 96510496 BGCLCJMUXHBCEN-UHFFFAOYSA-N 313.195 2.869 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039390 GRYVYMSYYQYGEZ-WBVHZDCISA-N 323.458 2.725 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)CC1=CCCCC1)C2 96039187 FFBUXBPAIVVTKC-SJLPKXTDSA-N 307.434 2.921 0 40 DFAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)NCC(F)(F)F 253397844 GCURIWHFUXCIFF-LURJTMIESA-N 320.292 2.749 0 40 DFAB biogenic,in-vitro O=C(c1cc[nH]n1)N1CCC[C@H](Cc2cccc3[nH]ncc23)CC1 257258200 KSTTYALAYWTQJV-ZDUSSCGKSA-N 323.400 2.771 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccoc1)OC 96384829 KODIZUBHCJONEF-KXPUMZMLSA-N 301.342 2.805 0 40 DFAB CNC(=O)CCN(C)C(=O)c1sc2ccccc2c1Cl 30835351 AMDZCFCEGDCOFB-UHFFFAOYSA-N 310.806 2.763 0 40 DFAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H]1c1ccncc1 56403374 KBBHHSNMPVLTHF-QZTJIDSGSA-N 321.380 2.938 0 40 DFAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)N2CCc3ccccc32)C1 56523691 PIXSKKVLBWDXSN-HUUCEWRRSA-N 301.434 2.879 0 40 DFAB CC[C@](CO)(NCc1ccc([S@@](C)=O)cc1)c1ccccc1 85325077 ATRIFICXLGXVIU-GCJKJVERSA-N 317.454 2.811 0 40 DFAB COc1ccc(CN(C)CC(C)(C)O)cc1Br 75746031 FWHLGCGQQPBORZ-UHFFFAOYSA-N 302.212 2.660 0 40 DFAB Cc1oc(-c2ccccc2F)nc1C(=O)/N=c1/sccn1C 78034586 UNRNEKAIOTXUEI-OBGWFSINSA-N 317.345 2.930 0 40 DFAB Cc1nnc([C@@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)o1 107048893 DPSQPBOCISIUFE-MWLCHTKSSA-N 309.801 2.971 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 585234519 ZNRFRBASSCWFOF-KRWDZBQOSA-N 324.428 2.626 0 40 DFAB O=S(=O)(CCCCC(F)(F)F)CCC[C@@H]1CCCN1 584645677 BTQAKMJQKGBBSD-NSHDSACASA-N 301.374 2.666 0 40 DFAB CCOC(=O)c1c[nH]nc1NC(=O)Nc1ccc(F)cc1F 16687741 WWENOYGITRTKCM-UHFFFAOYSA-N 310.260 2.509 0 40 DFAB CC(=O)Nc1ccccc1CNc1nnc(-c2ccncc2)o1 154778297 ZNVDMJQMWJFJJE-UHFFFAOYSA-N 309.329 2.702 0 40 DFAB COc1cccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 429496 OFGLJICDJXFADD-UHFFFAOYSA-N 300.358 2.773 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1cccc(Cl)c1 9823282 FBTGOTTYPXCREU-AWEZNQCLSA-N 315.760 2.789 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1F 9823495 NAXWNVCRVHZMSK-OAHLLOKOSA-N 313.332 2.535 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17050999 WSTWSCXDELWYPX-UHFFFAOYSA-N 316.382 2.681 0 40 DFAB c1ccc(-c2nonc2Sc2nnnn2-c2ccccc2)cc1 96137125 LUZPEVZLYALLDN-UHFFFAOYSA-N 322.353 2.864 0 40 DFAB Cc1csc(NC(=O)CCn2sc3ccccc3c2=O)n1 40266640 TZTWHCKTJRCXAG-UHFFFAOYSA-N 319.411 2.857 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)CN2CCSC2=O)cc1 40473622 SVJKKRMJKUFBJM-CQSZACIVSA-N 320.414 2.528 0 40 DFAB Cc1nc(CCNC(=O)c2oc3c(c2C)C(=O)CCC3)cs1 40515991 YCCMNSKPYAQQQN-UHFFFAOYSA-N 318.398 2.844 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)c1cccnc1Cl 108944 PRIZAWVZOZNDTR-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)C[S@](=O)C2 212344 WYHNDMBHGRSFMC-OAQYLSRUSA-N 323.443 2.714 0 40 DFAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@H]3CN)c12 97019540 GBDLKWRWCFDYRP-LBPRGKRZSA-N 316.405 2.608 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CC[C@@H]1CCCO1 72281213 NJIYDJIIJPVSEO-HLLBOEOZSA-N 320.433 2.675 0 40 DFAB Cn1cc(NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cn1 72301243 NOVIIYFZVYWXBS-UHFFFAOYSA-N 316.752 2.903 0 40 DFAB Cc1cc(CNC(=O)NC[C@H](C)Sc2ccccc2)no1 76084981 CSGSSVZGRZRGLY-LBPRGKRZSA-N 305.403 2.963 0 40 DFAB CCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)C)cc1 1343406 UOGZEKVOJVQJJS-HNNXBMFYSA-N 319.405 2.606 0 40 DFAB C[C@H]1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)O1 78300886 JWIAUSXAYQHTFD-SMDDNHRTSA-N 300.358 2.711 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 527326 ZPLOZZMTWJSXCV-KRWDZBQOSA-N 314.429 2.941 0 40 DFAB CCO[C@@H](C)c1nc(CN(C)Cc2cc(=O)c(O)co2)cs1 78947726 LYATYUQRURNJJO-JTQLQIEISA-N 324.402 2.531 0 40 DFAB Cc1cccc(NCCCO)c1C(=O)NCCc1ccccc1 95411981 XMFHPTOVIUJIHC-UHFFFAOYSA-N 312.413 2.762 0 40 DFAB CC[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 4416738 LGQDAXGQCNAMTN-KGLIPLIRSA-N 314.223 2.593 0 40 DFAB CC(C)(C)NC(=O)CNC(=O)c1occc1-c1ccccc1 22695507 ALGGNOFAPLXMFX-UHFFFAOYSA-N 300.358 2.591 0 40 DFAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1 4751509 FSOOITRATZAWMN-UHFFFAOYSA-N 302.330 2.841 0 40 DFAB C[C@@H](Sc1cccc2cccnc12)C(=O)NC(=O)NC1CC1 53727860 UFTCUMYXRZHHRQ-SNVBAGLBSA-N 315.398 2.704 0 40 DFAB COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@H](C1)C(C)(C)C2=O 100748785 PHQYPEMOAWCWFR-ZMZPIMSZSA-N 315.369 2.807 0 40 DFAB Cc1nc(CNC(=O)CCn2ncc3ccccc32)cs1 57280213 ZKAGFYBRKQUCTP-UHFFFAOYSA-N 300.387 2.508 0 40 DFAB C[C@@H](Oc1c(Cl)cc(C=O)cc1Br)C(=O)O 8534800 QIFBGSZFMREIHN-RXMQYKEDSA-N 307.527 2.767 0 40 DFAB O=Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 10966966 SSIVLBSSJUEUQJ-UHFFFAOYSA-N 309.243 2.934 0 40 DFAB C[C@H]1CN(CCC(=O)Nc2ccc3c(c2)CCC3)C[C@@H](C)O1 12363331 YHWWUONTQSLJCH-OKILXGFUSA-N 302.418 2.613 0 40 DFAB CCn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1 24577313 XIQCJLBKOGFUNL-UHFFFAOYSA-N 319.308 2.723 0 40 DFAB O=C(O)CN(C(=O)c1ccc(Br)o1)c1ccccc1 37584493 IIGACMDEBLNYCC-UHFFFAOYSA-N 324.130 2.774 0 40 DFAB in-vitro CC[C@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 21167582 URBIZCSWRMJDHW-JTQLQIEISA-N 302.422 2.741 0 40 DFAB C[C@H](NC(=O)Cc1cccs1)c1ccc(-n2cncn2)cc1 25691866 QCKUVSKBSHROLQ-LBPRGKRZSA-N 312.398 2.749 0 40 DFAB Nn1c(SCCOc2ccccc2)nnc1-c1ccccc1 1904620 SWOIWWODXGJUIY-UHFFFAOYSA-N 312.398 2.830 0 40 DFAB Cc1cccc(OC[C@@H](O)CNC(=O)Nc2ccccc2F)c1 58017152 JSPAMSVAPPMDFS-ZDUSSCGKSA-N 318.348 2.696 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ncccc1O 84358866 GNAPUAUOELZTNW-UHFFFAOYSA-N 310.353 2.878 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)CCCNC(=O)c1ccco1 44868161 MFURENAJHDZOBR-UHFFFAOYSA-N 318.348 2.587 0 40 DFAB Cn1cc(-c2nc(C(=O)OCCc3ccccc3)cs2)cn1 44814224 OIIZMRYDUMZMQM-UHFFFAOYSA-N 313.382 2.943 0 40 DFAB COC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3 2160651 KMPNOBRBBQHNRK-UHFFFAOYSA-N 316.353 2.921 0 40 DFAB biogenic CN1CCN(CC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)CC1 101024235 ANUJAORDMSHNEJ-FTJRRQOFSA-N 304.478 2.800 0 40 DFAB C[C@H](O)c1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 53755944 YKHQHABHGGHJKT-NSHDSACASA-N 314.341 2.790 0 40 DFAB O=C(Cn1ccc2ccccc21)N[C@@H](C(=O)O)c1ccccc1 36354850 RIEOHOODIGXXGB-QGZVFWFLSA-N 308.337 2.583 0 40 DFAB Cc1oc(C)c(C(=O)NCc2cccnc2-n2ccnc2)c1C 36391992 XEQAFHUNAKNCDB-UHFFFAOYSA-N 310.357 2.716 0 40 DFAB Fc1cc(Br)ccc1CNCCCn1ccnc1 36667993 NJSIHQILGPSJAX-UHFFFAOYSA-N 312.186 2.965 0 40 DFAB CCN(CC)C(=O)[C@@H](C)NC(=O)c1cccnc1SC(C)C 48219620 RTIWYLBGYORQLE-GFCCVEGCSA-N 323.462 2.569 0 40 DFAB C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2)cc1 72287546 FNACKDVNSCFOSN-NSHDSACASA-N 320.339 2.688 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)N(C)c1ccccc1 3521855 AYCARZXRMSFUDO-LBPRGKRZSA-N 312.398 2.873 0 40 DFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2ccccc2)c1 3555397 JIWPEFTVBHFJDD-UHFFFAOYSA-N 310.397 2.943 0 40 DFAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1ccc(F)cc1 8981429 UFTKTPRPAFNESL-NSHDSACASA-N 322.365 2.526 0 40 DFAB Cc1cc(C)c2oc(C(=O)Nc3nnc(C)s3)cc(=O)c2c1 9045934 MZYMTBMSELXQHF-UHFFFAOYSA-N 315.354 2.822 0 40 DFAB Cc1ccccc1OCCCN[C@@H]1CCCCC[C@@H]1C(N)=O 97165634 FXSMIHWXVIGVIM-JKSUJKDBSA-N 304.434 2.788 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc3[nH]ncc23)C1 65497479 VKIXKMIDIIJXGY-ZIAGYGMSSA-N 314.433 2.661 0 40 DFAB CCOC(=O)COc1cc(C)nc2cc(OC)c(OC)cc12 62718750 WZNSGZGINMEIHU-UHFFFAOYSA-N 305.330 2.502 0 40 DFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1nccs1 14020133 RPVCQGQCVGEZCE-UHFFFAOYSA-N 310.762 2.749 0 40 DFAB CCC(CC)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 14188455 DULWPPPHVZMZJR-UHFFFAOYSA-N 317.364 2.598 0 40 DFAB CNC(=O)c1cccc(NC(=O)N[C@H]2CCc3ccccc3C2)c1 65613973 AWUPTSQLGUBQFK-KRWDZBQOSA-N 323.396 2.725 0 40 DFAB C/C=C1/CN2[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccc(O)cc12 14691674 VTVQHYQGTTVKDE-QFEPBTDOSA-N 310.397 2.730 0 40 DFAB biogenic,in-vitro Cc1cc([C@H]2CCCN2C(=O)COc2ccccc2C=O)no1 66608382 AXIRMLVFQRZDIP-OAHLLOKOSA-N 314.341 2.538 0 40 DFAB Brc1cnn(Cc2noc(-c3ccsc3)n2)c1 67098758 PGEJOQXDLCRQGA-UHFFFAOYSA-N 311.164 2.805 0 40 DFAB CC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 19796567 QEZJSFKJZMHMEZ-ZETCQYMHSA-N 317.370 2.796 0 40 DFAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCC1 15593187 PPTOOJVAAXJPDI-LLVKDONJSA-N 324.421 2.945 0 40 DFAB CN(C[C@H](O)C1CC1)c1nc(-c2cccnc2)nc2ccccc12 80233328 BYMPXFRGNPOQII-KRWDZBQOSA-N 320.396 2.899 0 40 DFAB O=C1[C@H](NCc2cncs2)CCCN1c1ccccc1F 90227755 ZBSYRJHCDAYIPR-CYBMUJFWSA-N 305.378 2.567 0 40 DFAB CCN(C)c1ccccc1NC(=O)N1CC[S@](=O)C(C)(C)C1 84760958 GXHHJCPLBSPPDV-JOCHJYFZSA-N 323.462 2.518 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](NCc1nnc3n1CCC3)CCCO2 95419877 XLFMVWQMVGOMQN-OAHLLOKOSA-N 312.417 2.845 0 40 DFAB CCOc1ccccc1C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C 69350718 OMRPJUXIJIYEJZ-LAJNKCICSA-N 311.447 2.637 0 40 DFAB NC(=O)NCCCOC(=O)c1sc2sccc2c1Cl 95404999 HSGBBFJXXCECRW-UHFFFAOYSA-N 318.807 2.831 0 40 DFAB O=S(=O)(c1cncc(F)c1)N1CCC[C@@H]1c1cccc(F)c1 69486995 CQWITMUKJHUFBH-OAHLLOKOSA-N 324.352 2.886 0 40 DFAB CC(=O)NC1(C(=O)N(C)Cc2ccccc2C)CCCCC1 69421348 SHAVOZPBGKIRBM-UHFFFAOYSA-N 302.418 2.792 0 40 DFAB CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 69528690 CAIPCIQYJZSUCF-AWEZNQCLSA-N 306.381 2.677 0 40 DFAB CC(C)OC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 17354750 RZWAQNBAPPEWKV-WJDWOHSUSA-N 310.353 2.804 0 40 DFAB Clc1cncc(N2CCC[C@@H]2c2nnc3n2CCCCC3)n1 69699071 DIQROHWVPKSGIS-LLVKDONJSA-N 318.812 2.789 0 40 DFAB CC(C)c1nnc(NC(=O)c2sccc2OC(F)F)[nH]1 69780572 AEOPTEUHXDBHGU-UHFFFAOYSA-N 302.306 2.843 0 40 DFAB O[C@H](CN1CCC[C@H](N2CCCC2)C1)c1ccccc1Cl 71810965 ARXRLDAKICEJLT-WMLDXEAASA-N 308.853 2.934 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1)NCCc1nncn1C1CC1 71893455 GFDKGSRBQRSEMA-FPYGCLRLSA-N 316.792 2.639 0 40 DFAB CCc1cccc(NC(=O)N2CCC(C3OCCO3)CC2)c1 71862798 BBNGLOSKTZJXPM-UHFFFAOYSA-N 304.390 2.866 0 40 DFAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccco1 71909670 AEUSTYPNRJWAOB-LLVKDONJSA-N 322.311 2.890 0 40 DFAB COc1ccc(C2(CN[C@H]3CCOC3=O)CCCCC2)cc1 71902602 MZFLZYZEERLYGG-INIZCTEOSA-N 303.402 2.802 0 40 DFAB CCOC(=O)C[C@@](C)(NC(=O)CSc1ccncc1)C(C)C 97097506 VXJVCYRWIKRISU-MRXNPFEDSA-N 324.446 2.658 0 40 DFAB COc1ccc(CN2CC[C@@H]([C@H](C)N)C2)cc1Br 97053155 JUGNYOLXLIDYSW-CMPLNLGQSA-N 313.239 2.627 0 40 DFAB O=C(Nc1ccccc1CN1CCC(O)CC1)C1=CCCC1 95986082 GCJRNBAJKWVDBG-UHFFFAOYSA-N 300.402 2.692 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c(=O)[nH]1 75122658 YDYREUMLDWLYNG-ZDUSSCGKSA-N 318.760 2.590 0 40 DFAB CC[C@H](C)c1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)on1 89942347 PPOMDWYFQPOSMF-VHRBIJSZSA-N 310.419 2.535 0 40 DFAB CCC1(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CCC1 89948175 YNHDQSWBSHGJSA-XJKSGUPXSA-N 312.479 2.921 0 40 DFAB C[C@@H](C(=O)Nc1cccc(F)c1)n1cc(Br)cn1 28224065 AWJJVRHWWMUYIH-QMMMGPOBSA-N 312.142 2.984 0 40 DFAB O=C(Cc1ccccc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 62141127 PQVUAVACDZJNNT-MRXNPFEDSA-N 309.365 2.974 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350100 OGDIXAHVHSKMKS-DFEHZGFQSA-N 308.466 2.558 0 40 DFAB C[C@H]1CCCN(c2ncc3c(n2)CN(Cc2ccccc2)C3=O)C1 46088032 DYXCEAAUBHVHER-AWEZNQCLSA-N 322.412 2.869 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(CO)cc2)C1 228909100 SVBHFKKINVMOIH-AWEZNQCLSA-N 306.406 2.672 0 40 DFAB CO[C@@H]1CC[C@H](NC(=O)NC2CCN(c3ccccc3)CC2)C1 191801491 GZSBWOZDVCKFNE-DOTOQJQBSA-N 317.433 2.522 0 40 DFAB Cn1nc2c(c1CNC(=O)CCc1cccc(Cl)c1)CCC2 225817887 VAISPXOSZHQTGW-UHFFFAOYSA-N 317.820 2.811 0 40 DFAB O=C(CN[C@H]1CCCOc2cc(F)ccc21)NCc1ccco1 195557617 KSXFJYBLPYXBKW-HNNXBMFYSA-N 318.348 2.538 0 40 DFAB COC[C@@H]1COCCC12CCN(Cc1ccccc1OC)CC2 96106324 IJFQYXPGECJKMP-QGZVFWFLSA-N 319.445 2.960 0 40 DFAB O=C(C[C@H]1COCCN1Cc1nccs1)c1ccccc1 97095936 ACRNDLXZVDSKFW-AWEZNQCLSA-N 302.399 2.617 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1(C)C 96415602 SEHJREWRDBTSEB-QEJZJMRPSA-N 305.422 2.988 0 40 DFAB CCOc1ccc(-c2nc([C@@H](N)C(C)C)n[nH]2)cc1OCC 95534811 ZBNCOZLELIVTJU-AWEZNQCLSA-N 304.394 2.925 0 40 DFAB COC(=O)c1ccc(CNc2cnn(-c3ccccn3)c2)cc1 97231113 XGOUKPLLODYPHF-UHFFFAOYSA-N 308.341 2.666 0 40 DFAB Cc1cc(CN2CCC3(CC2)C[C@@H](OCC2CC2)CO3)no1 96106629 ULZZWMOKJRQVAU-MRXNPFEDSA-N 306.406 2.533 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)[C@@H]2CCOC2)c1C 96428211 XFZSMBCWTLCZQZ-ZBFHGGJFSA-N 309.431 2.559 0 40 DFAB O=C(Cc1noc([C@@H]2C[C@H]3CC[C@@H]2C3)n1)NCc1ccccc1 96405220 DDXLKSBIONZPAW-RRFJBIMHSA-N 311.385 2.832 0 40 DFAB Cc1ncc(C(=O)NCC[C@H](C)[S@](C)=O)c(Cl)c1Cl 96486956 BZCRAOXIHBZFKE-ZDVLTJLQSA-N 323.245 2.584 0 40 DFAB Cc1noc(-c2nc(-c3ccc(Br)cc3)no2)n1 98212317 PWDAETJGVMDJDA-UHFFFAOYSA-N 307.107 2.858 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2ccc(F)cn2)C1 257313506 USWKAAXTQGSKCK-ZDUSSCGKSA-N 315.396 2.507 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2csc(C)n2)nc(C)n1 257286651 PMKSALHEOZLENT-AWEZNQCLSA-N 303.435 2.929 0 40 DFAB O=C(CCC1CCCC1)N1CCC[C@H](c2ccnc(O)n2)C1 257263699 LRBUABGPLDUTCN-AWEZNQCLSA-N 303.406 2.859 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](c2ccccn2)C1 85472961 LVJCGSVOBVLMMN-QSOAKEGCSA-N 314.410 2.872 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1(C)C 24489647 OELOMUQTFCIDSX-ZBFHGGJFSA-N 300.402 2.891 0 40 DFAB COc1ccccc1C1(CN[C@@H](C)Cn2cncn2)CCCC1 585142137 PNQBJLKVEGADDK-HNNXBMFYSA-N 314.433 2.777 0 40 DFAB O=C(Nc1cnccn1)c1ccc(Cl)c(N2CCCC2=O)c1 685550592 ACNVKZMLQGFCPR-UHFFFAOYSA-N 316.748 2.509 0 40 DFAB Cc1ccc2oc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2n1 69808749 PDHBGDZYJJDOBU-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB CC(C)N1C(=O)CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1(C)C 81241248 OERJRMZEDWRVGK-CVEARBPZSA-N 314.429 2.648 0 40 DFAB CO[C@@]1(CNC(=O)c2cccc(C(F)(F)F)c2)CCSC1 96097604 PBBZENNVBHZTPO-CYBMUJFWSA-N 319.348 2.957 0 40 DFAB COc1cc(N2CCC(c3ccc4cccnc4n3)CC2)ncn1 656214868 JBMTVZYIHJBWKX-UHFFFAOYSA-N 321.384 2.812 0 40 DFAB COc1cc(N)ccc1NC(=O)c1cncc(Br)c1 20480823 SFPFWJXPEOLVPY-UHFFFAOYSA-N 322.162 2.687 0 40 DFAB CC(=O)c1cc(C(=O)Nc2cccc(-n3cnnc3)c2)cs1 12148229 DGDPSUFJQVANEJ-UHFFFAOYSA-N 312.354 2.784 0 40 DFAB C[C@]1(C(=O)NCCCc2ccccn2)CC(c2ccccc2)=NO1 12148581 UFGFGJKOKUJQOB-LJQANCHMSA-N 323.396 2.714 0 40 DFAB CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1 15951962 RTQHZKQLXFRUEV-UHFFFAOYSA-N 322.364 2.857 0 40 DFAB COc1ccc(CC2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)cc1 154876742 CMPHUFQZYGIUDA-ZWKOTPCHSA-N 316.445 2.604 0 40 DFAB FC(F)(F)c1ccc(N[C@H]2CCN(C3CCOCC3)C2)nc1 1889057392 XZLHZGTYPHAHNS-LBPRGKRZSA-N 315.339 2.766 0 40 DFAB CN(C)c1ccc(CCCNS(=O)(=O)c2ccccc2)cc1 23002792 MKAZGMOLAVUTEM-UHFFFAOYSA-N 318.442 2.664 0 40 DFAB CCn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 2087121357 QDHOAOZGNMKZCB-UHFFFAOYSA-N 314.772 2.885 0 40 DFAB CCc1ccc(NC(=O)C[C@@H](NCCC(C)C)C(=O)O)cc1 4279963 WLAVDKHRAXHDSO-OAHLLOKOSA-N 306.406 2.667 0 40 DFAB CCCCC(=O)/N=c1\sc2c(OC)ccc(OC)c2n1C 12514539 NFBHDYWPIYLGNY-NXVVXOECSA-N 308.403 2.875 0 40 DFAB C[C@@](O)(CCc1ccccc1)CNC(=O)Cc1ccsc1 206707823 VMICEMPCZOETQL-QGZVFWFLSA-N 303.427 2.791 0 40 DFAB Cc1ccc2cc(C(=O)Nc3ccc4nncn4c3)ccc2n1 95992118 AGCNNPYADNAXMP-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB C[C@H]1CCc2c(C(=O)N[C@H](C)Cn3cccn3)csc2C1 40091825 IGROSDPWMKJCEM-NWDGAFQWSA-N 303.431 2.888 0 40 DFAB O=C(NCCCN1CCc2ccccc21)Nc1nccs1 40096124 RNTMMTPFXHGHED-UHFFFAOYSA-N 302.403 2.717 0 40 DFAB CCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1 30475984 PQFAWDGRJAYLKL-UHFFFAOYSA-N 316.401 2.689 0 40 DFAB COc1ccc(C(=O)NCCSC(F)(F)F)cc1OC 40539105 FBOROPWSJYTWSO-UHFFFAOYSA-N 309.309 2.687 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3cccs3)CC2=O)cc1 382592 ZDPHMIZRCLNMTH-CYBMUJFWSA-N 314.410 2.726 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnc2ccccc2n1 32722726 CNTXWMZPIUNRMW-UHFFFAOYSA-N 321.336 2.631 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 102597911 KFEUWXIJZMHHPO-VPOLOUISSA-N 315.339 2.993 0 40 DFAB FC(F)(F)COCCN1CCC[C@H](c2noc(C3CC3)n2)C1 78890740 WJAHFGVJZDVVCT-NSHDSACASA-N 319.327 2.705 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1Cc2ccccc2O1 22490462 YWQCGYDXOMGLEB-QGZVFWFLSA-N 321.380 2.615 0 40 DFAB O=C(Nc1ccncc1)c1ccn(COc2ccc(F)cc2)n1 6829129 DWYZTXNWWCIJRV-UHFFFAOYSA-N 312.304 2.706 0 40 DFAB COc1cc(OC)cc(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c1 6851031 GFZRNTDTHBILBC-YVEFUNNKSA-N 315.369 2.556 0 40 DFAB COc1ccc(N2C(=O)/C(=C/c3ccccc3)NC2=S)cc1 9189358 UPCLSPZJHLZEQL-PTNGSMBKSA-N 310.378 2.957 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1N[C@H](C(=O)O)CS1 3194456 CDZJUIYJFUMYSB-GWCFXTLKSA-N 323.805 2.622 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1ccc2c(c1)OCO2 105921669 QURFWEVNZJWXKN-SGMGOOAPSA-N 316.353 2.968 0 40 DFAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)cn1 9909804 ZGSDJQZYDXLHSU-UHFFFAOYSA-N 307.781 2.680 0 40 DFAB Cc1ccc(CCNC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1 57355708 HGNKNVJAYSQZTR-INIZCTEOSA-N 315.413 2.920 0 40 DFAB COc1ccc(CN2CCC(c3cnn(C)c3)CC2)cc1F 97203636 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CN(C)c1nc2cc(NC(=O)NCc3ccccn3)ccc2o1 89326922 BNZLPBQEBZZLOH-UHFFFAOYSA-N 311.345 2.611 0 40 DFAB O=C(NCCc1cccnc1)c1c(F)cccc1Br 96454171 DZBIVJCRIMUVFQ-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1Cc1ccccc1 109689342 FHZLOCTZSWAAOA-HNNXBMFYSA-N 320.352 2.648 0 40 DFAB O=C(COC(=O)c1c[nH]c2ccccc12)NCc1ccccc1 5090437 JCJQOXHALSVLFM-UHFFFAOYSA-N 308.337 2.641 0 40 DFAB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C=C(C(=O)O)N2 12321789 WXZTUUSNIPTKHA-JTQLQIEISA-N 322.777 2.637 0 40 DFAB CC(C)S(=O)(=O)NC[C@H](C)c1ccc(Br)cc1 13473527 KKIIBZSWCOFSNB-JTQLQIEISA-N 320.252 2.880 0 40 DFAB C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)c2cccnc2O1 158716133 BWMXESNQXIXEGJ-CXAGYDPISA-N 324.380 2.900 0 40 DFAB CC(C)c1nncn1CCNC(=O)c1csc2c1CCCC2 152022461 UWRRTZUNTYZOOO-UHFFFAOYSA-N 318.446 2.772 0 40 DFAB CO[C@@H]1CCN(Cc2cn(C)cn2)C[C@H]1Cc1cccc(F)c1 643914417 RBDMDJMEHCHPHY-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB CC(C)c1ncc(CN2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 248155366 DCYRDQFZVWJXGY-IRXDYDNUSA-N 322.412 2.835 0 40 DFAB Nc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)ccc1Cl 3451520 LGEVKYIOCLRXAK-UHFFFAOYSA-N 322.723 2.857 0 40 DFAB Cc1cc(C)nc(N2CC[C@@H](COc3ccc(F)cn3)C2)n1 1889091907 MTYBMRGMZBGSFN-CYBMUJFWSA-N 302.353 2.533 0 40 DFAB COc1cc(C(=O)Nc2nncs2)ccc1OCC(C)C 21213821 KBMFFROLDHDVDX-UHFFFAOYSA-N 307.375 2.834 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1 418578 COAWNXOKULPWPC-UHFFFAOYSA-N 303.387 2.760 0 40 DFAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)C 4033116 XRYOQOUJMQVCBW-UHFFFAOYSA-N 310.357 2.999 0 40 DFAB Brc1cnc(N2CC[C@@H](c3ccccn3)C2)nc1 798415344 YJHVDIJNHQTMDJ-SNVBAGLBSA-N 305.179 2.628 0 40 DFAB COc1ccc(CNC(=O)NN2[C@H](C)CCC[C@H]2C)cc1OC 31029560 OJONROAJPOZMAL-CHWSQXEVSA-N 321.421 2.681 0 40 DFAB O=C(c1ccccc1O)N1CCO[C@@H](c2ccc(F)cc2)C1 31176737 SINJORAWFSOFHA-MRXNPFEDSA-N 301.317 2.745 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)C[C@@H](O)Cn1cccn1 51213965 AJMIZOIGOVLYRU-GFCCVEGCSA-N 314.216 2.683 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H](C)O[C@H](C)C1 20572901 OFQHJXSFOIKZMA-QWQRMKEZSA-N 317.429 2.969 0 40 DFAB NC(=O)[C@@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 52392250 RLLJUEABZXBUKT-GFCCVEGCSA-N 324.409 2.670 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NC(C)C)C1 32913016 VHYPMIGYVLSPJE-HUUCEWRRSA-N 311.470 2.757 0 40 DFAB O=C(NC[C@H]1CCOC1)c1ccc(-n2cnc3ccccc32)cc1 41373528 STEXPRSOFFCKGL-CQSZACIVSA-N 321.380 2.792 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 266354 MZTNRVCVPGMPGC-UHFFFAOYSA-N 307.371 2.895 0 40 DFAB CC[n+]1c(C)n(C[C@H](O)COc2ccccc2)c2ccccc21 316202 HRZCSYSTMOVJNS-INIZCTEOSA-N 311.405 2.697 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)O 2685033 FGVAFTNRQXQWCI-UHFFFAOYSA-N 319.382 2.514 0 40 DFAB Cc1cccc2nc(C(=O)N3CCc4ccc(O)cc4C3)cn12 52850758 KPPLRKQKSSRIGU-UHFFFAOYSA-N 307.353 2.547 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ncnc2[nH]ccc12 78766478 NCJGHUSOPDPJFE-LLVKDONJSA-N 316.796 2.995 0 40 DFAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCc2ccccc21 79018698 OTHGORFLSSHISS-WMZOPIPTSA-N 310.397 2.577 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 4349607 HXCVFWPYSWXBDL-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB O=C(O)CCCn1cc(NC(=O)Cc2ccc(Cl)cc2)cn1 4593714 HPKVFSCNSOEMBF-UHFFFAOYSA-N 321.764 2.583 0 40 DFAB CCNC(=O)[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 22811551 LIWYNOYWHDCSDS-LBPRGKRZSA-N 321.384 2.628 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncccn2)c1C 6913330 YJLDGBBVYUMDMW-SNVBAGLBSA-N 319.386 2.572 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCCc1ccc(Cl)s1 47027391 RHURAKWDNXLABX-JTQLQIEISA-N 312.826 2.528 0 40 DFAB C[C@H](Oc1c(Cl)cc(C=O)cc1Br)C(=O)O 8497137 QIFBGSZFMREIHN-YFKPBYRVSA-N 307.527 2.767 0 40 DFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2cc[nH]c12 97002847 NVHCKXNYJFTDIV-MRXNPFEDSA-N 320.348 2.820 0 40 DFAB Cc1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 25324566 JDGUYNCJTVGGRF-NSHDSACASA-N 319.386 2.535 0 40 DFAB CCN(CC)c1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 12540170 DFAWUQGSHXOXKI-INIZCTEOSA-N 305.422 2.632 0 40 DFAB CC(C)(C)c1nc(Cn2cc(-c3nnco3)ccc2=O)cs1 58065059 QKUWTLHXGMCYFT-UHFFFAOYSA-N 316.386 2.701 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)[C@H]1COc2ccccc2C1 72296935 XUFHYXBCJOOMIR-GDBMZVCRSA-N 312.413 2.714 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)nc1 27681009 NPPFRZJWKMEIGT-UHFFFAOYSA-N 324.258 2.759 0 40 DFAB Cc1ccc(OC[C@H](C)NC(=O)c2cccnc2S)cc1 58265650 GICYSRMLLJZRSU-LBPRGKRZSA-N 302.399 2.876 0 40 DFAB Cc1csc(N2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 110568350 FUNGWBMQULSKNR-SOUVJXGZSA-N 319.474 2.926 0 40 DFAB C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccn1 44909898 OPMWJCCSHNRSQR-GXTWGEPZSA-N 318.446 2.806 0 40 DFAB CCC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20110608 LSYCIOYVECMSSZ-SECBINFHSA-N 318.826 2.630 0 40 DFAB O=C(NCC[C@@H]1CCCNC1)c1sccc1Br 104299155 SHPWSELSNOAJMU-VIFPVBQESA-N 317.252 2.630 0 40 DFAB CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 12615075 OWSHLEVIUVTQDM-LLVKDONJSA-N 302.330 2.729 0 40 DFAB CO[C@@H](C)c1nc(CN(C)c2cncc(SC)n2)cs1 97162955 HNGGRGPVQSPEKR-VIFPVBQESA-N 310.448 2.999 0 40 DFAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCO3)c(OC)c1 11462083 GQUQRLPASRUTJZ-UHFFFAOYSA-N 313.353 2.820 0 40 DFAB C[C@@H](CNS(=O)(=O)c1cccs1)N(C)c1ccccc1 45745483 XHKWZXGQTXRMMY-LBPRGKRZSA-N 310.444 2.551 0 40 DFAB CC(C)[C@H](NC(=O)Cc1cccs1)c1nnc2ccccn12 60360093 BZZLAKLFEZGSEK-HNNXBMFYSA-N 314.414 2.847 0 40 DFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1F 3357516 DHWWJVFTMUSSMB-MRXNPFEDSA-N 315.344 2.521 0 40 DFAB CC(=O)c1ccc(C(=O)NCCCOCc2ccco2)s1 48325132 HNZLPVQQLYNIKL-UHFFFAOYSA-N 307.371 2.880 0 40 DFAB CCn1nccc1NC(=O)COc1ccc(Br)cc1 12816348 YTWMSKJYOJDCFT-UHFFFAOYSA-N 324.178 2.683 0 40 DFAB Cc1cc(C)n(CCCNC(=O)CCC(=O)c2cccs2)n1 12907400 MZGIEWLQUPSBCY-UHFFFAOYSA-N 319.430 2.731 0 40 DFAB CC[C@H](C)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 70981758 DMBPSOIZXOOMCI-AWEZNQCLSA-N 320.433 2.585 0 40 DFAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)NC(=O)CO2 8924778 MEYCKYNBWKFFOB-UHFFFAOYSA-N 312.325 2.587 0 40 DFAB CCC[C@H](C)[C@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 92923144 RJAXDGJZRFKRKA-QWHCGFSZSA-N 300.410 2.650 0 40 DFAB Cc1nnnn1-c1ccc(C(=O)NCCC2=CCCCC2)cc1 71279801 QTGJIJQYYONASD-UHFFFAOYSA-N 311.389 2.591 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1ccc[nH]1 6233238 YISDVGVZVRXKKV-UHFFFAOYSA-N 307.733 2.781 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 72228231 MVHMVQCVLYJDBR-GJZGRUSLSA-N 304.752 2.890 0 40 DFAB CC(C)Cc1nnc(NC(=O)c2cnc3ccccc3n2)s1 14125389 XZKYBENTQTYGAL-UHFFFAOYSA-N 313.386 2.932 0 40 DFAB COc1cccc(CN2CCO[C@H](C)[C@@H]2C)c1OC(F)F 93418130 POGWLZMLZGKPGF-WDEREUQCSA-N 301.333 2.906 0 40 DFAB COCC[C@H](C)NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 67478625 XFMOBRAXGDHDCW-SUMWQHHRSA-N 316.401 2.597 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccccc1 9317963 JTQZWBALQPSIPV-GFCCVEGCSA-N 306.325 2.652 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@@H]1COc2ccccc2O1 7757213 WRIPXTNUWHMBDR-ABZNLYFFSA-N 301.367 2.718 0 40 DFAB COc1ccccc1NC(=O)C[C@H](C)NCCCNC(C)(C)C 7984414 UIFSFLQATRSTLZ-AWEZNQCLSA-N 321.465 2.780 0 40 DFAB O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)c1cccs1 81270540 SYSREALXNUMKLT-JTQLQIEISA-N 311.353 2.607 0 40 DFAB COc1ccccc1N(Cc1ccccc1F)S(C)(=O)=O 9426022 LBDGNYTZHFGGIM-UHFFFAOYSA-N 309.362 2.801 0 40 DFAB Cc1cccc([C@H]2C[C@@H]2C(=O)NCc2cccc(NC(N)=O)c2)c1 69384422 CHRUKQGDGBXMFN-SJORKVTESA-N 323.396 2.906 0 40 DFAB COc1ccc([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)cc1 69393036 ONLHGUCYMSMYTN-CQSZACIVSA-N 309.431 2.757 0 40 DFAB Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccco2)no1 69483698 MSWGXSKPYXWAGI-GXTWGEPZSA-N 303.362 2.590 0 40 DFAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1ccccc1 408714709 VZFGCEPIVQUGRI-UHFFFAOYSA-N 307.353 2.938 0 40 DFAB Cc1cnn(C2CN([C@@H](C)c3nnc(-c4cccs4)o3)C2)c1 69571134 KMGUZMOTYRSITO-NSHDSACASA-N 315.402 2.921 0 40 DFAB O=C(CCN[C@@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 69562229 YCMKIPGMLSBWMC-GOSISDBHSA-N 320.408 2.505 0 40 DFAB CC(C)c1n[nH]c(C(=O)NC2CCCC2)c1Br 69699958 BLXYRBMVAZWJNZ-UHFFFAOYSA-N 300.200 2.968 0 40 DFAB O=C(NCC1CCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1 69697251 OSSIEAFLRHMEFT-INIZCTEOSA-N 315.417 2.989 0 40 DFAB CCNC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1 69705336 SFWBVIOLAQRKEX-UHFFFAOYSA-N 316.405 2.651 0 40 DFAB CCc1cc(Sc2nnc(C(C)(C)C)o2)n2ncnc2n1 69770853 DCYWULPNSLSFGB-UHFFFAOYSA-N 304.379 2.518 0 40 DFAB CCOc1ccc(NC(=O)c2cc(=O)c(OCC)co2)cc1 23136929 PWBBKARNCCBROX-UHFFFAOYSA-N 303.314 2.690 0 40 DFAB COC(=O)C(C)(C)NCc1cnn(Cc2ccccc2Cl)c1 69841347 CGFZOBDDJFBAHI-UHFFFAOYSA-N 321.808 2.626 0 40 DFAB CCCCc1noc([C@H](C)NC[C@@H]2CCCn3ccnc32)n1 84746895 LIGPRSGTVCEZKP-STQMWFEESA-N 303.410 2.837 0 40 DFAB CCO[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)c1ccccc1 71866674 HOWSQDDIAYHVKT-IRXDYDNUSA-N 313.401 2.652 0 40 DFAB O=C(CCS(=O)(=O)Nc1ccccc1)OCc1ccccc1 95454520 LPNOHZNYVIBIQI-UHFFFAOYSA-N 319.382 2.562 0 40 DFAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cscn1 95425802 TYIABQIWEDMZFP-IAQYHMDHSA-N 301.415 2.918 0 40 DFAB O=S1(=O)CC[C@H](CN[C@H](CC2CCC2)c2ccccc2)C1 95987761 KBLHEVBVIISHKP-NVXWUHKLSA-N 307.459 2.942 0 40 DFAB C[C@@H](c1ccccc1F)N(C(=O)NCCC(=O)N(C)C)C1CC1 75094254 KSNSNAPIJAXYRW-LBPRGKRZSA-N 321.396 2.539 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)c(=O)[nH]1 75120024 JEUIDKZDGIQFIE-LLVKDONJSA-N 304.777 2.698 0 40 DFAB COC(=O)[C@@](C)(O)C(OC)(c1ccccc1)c1ccccc1 38338030 PKGUFALWBGNSAH-QGZVFWFLSA-N 300.354 2.501 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)/C=C/c1ccc(NC(C)=O)cc1 69661822 PJBFKZQWAQAARX-RYRVOACTSA-N 303.358 2.769 0 40 DFAB Cc1ccncc1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1 518660657 ONOCVCDJCFGNDA-INIZCTEOSA-N 316.426 2.786 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccc(F)cc1 78701413 VUJHWGSIDDIMQO-CYBMUJFWSA-N 308.397 2.775 0 40 DFAB Brc1cccc(-c2nnc(C3CCNCC3)o2)c1 32209361 UMGTVSJWXNHNOA-UHFFFAOYSA-N 308.179 2.966 0 40 DFAB C[C@@H](CC(=O)N1CCC[C@H]1c1ccc[nH]1)NC(=O)OC(C)(C)C 79529018 LBHNSFWJILWJIT-JSGCOSHPSA-N 321.421 2.982 0 40 DFAB C[C@@H](CNC(=S)NCCc1ccccc1)N1CCCC[C@H]1C 36847561 CHKMZPFQMBKFDN-CVEARBPZSA-N 319.518 2.956 0 40 DFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c2ccccc2c1=O 72332541 JDRVMZGBDMMGMB-UHFFFAOYSA-N 312.300 2.702 0 40 DFAB CO[C@@]1(C)C[C@@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1(C)C 73269324 PUXJIDSCMKFWGQ-PBHICJAKSA-N 322.380 2.718 0 40 DFAB O=C([C@@H]1CCC(=O)N1Cc1cccs1)N1CCCCCC1 72239762 JAEQISPONNYMIG-AWEZNQCLSA-N 306.431 2.642 0 40 DFAB Cc1cc(Cl)c(C(=O)OCCCS(C)(=O)=O)cc1C 181850609 LBZHJCSFYHZPLP-UHFFFAOYSA-N 304.795 2.548 0 40 DFAB O=C(NCc1nccc(N2CCCC2)n1)c1cccc(Cl)c1 211093970 DOFLUEXBSMPYHD-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB CC(=O)Nc1nc(C(=O)O[C@H](C)Cc2ccccc2)cs1 72062585 KQVJHMHYUZGXGN-SNVBAGLBSA-N 304.371 2.890 0 40 DFAB CCCOC(=O)c1cc(-n2cnnc2)ccc1N(CC)CC 226276580 CYCZAEVETOGZJW-UHFFFAOYSA-N 302.378 2.680 0 40 DFAB CCOc1cccc(CNC(=S)Nc2ccc(OC)nc2)c1 225441266 YZLLNUGOQHMWHF-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB O=C(CCC1CCCCC1)Nc1cnc(N2CCOCC2)nc1 224249064 PIUMOJVQIGNFCP-UHFFFAOYSA-N 318.421 2.612 0 40 DFAB CCS(=O)(=O)Nc1ccc(NC[C@H]2CCC=CO2)cc1C 194136398 UYYQACKRGMCRFO-CQSZACIVSA-N 310.419 2.861 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)N[C@@H](C)Cc1cccc(F)c1 96440393 IZFJLDUFOLMRSF-STQMWFEESA-N 310.413 2.853 0 40 DFAB O=C1CCCCN1CC1CCN(Cc2cccnc2Cl)CC1 96443404 CVEKDTHIYBWNMM-UHFFFAOYSA-N 321.852 2.960 0 40 DFAB Cc1cccc(C)c1C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 578126868 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O=C(CNCC(F)(F)F)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 96423884 HMHVWNLEBQPIQO-CHWSQXEVSA-N 318.314 2.730 0 40 DFAB CCS[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cc(C)no1 249515106 QENHRZCDOJUIIV-FRRDWIJNSA-N 311.451 2.964 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)s1 257341408 ZKEKHZCFAHDIPV-LBPRGKRZSA-N 304.419 2.578 0 40 DFAB O=C(Cc1ccc(F)c(Cl)c1)N1CC[C@@H](c2ccn[nH]2)C1 257292095 QJYMKRZEFKBSDB-LLVKDONJSA-N 307.756 2.761 0 40 DFAB Cc1cc(O)nc([C@@]2(C)CCCN2C(=O)c2cccc(F)c2)n1 257334754 YHGKBSLLDZTIQL-QGZVFWFLSA-N 315.348 2.781 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(F)cc(F)c2)n1 257215412 CPZPKWMORWYJQJ-AWEZNQCLSA-N 305.328 2.984 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 257259935 LASMDGBURSQGKL-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB Cc1ocnc1C(=O)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257303929 SJIDADXGOMNBJO-FOLVSLTJSA-N 312.369 2.913 0 40 DFAB Cc1nc(C(=O)NCCCn2ccc3cccnc32)cs1 96353271 DLOXUPAXZQDNMU-UHFFFAOYSA-N 300.387 2.621 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@@H](c1cccs1)n1cccn1 575605137 MWXVGIRSXFWAPX-LBPRGKRZSA-N 316.386 2.569 0 40 DFAB O=C(c1cccc(O)c1)N1CC2(C[C@H](OCC3CC3)CS2)C1 575405031 QJWKZACPCMVGBX-HNNXBMFYSA-N 319.426 2.519 0 40 DFAB O[C@@H]1[C@@H](NCC2CCOCC2)CCC[C@H]1Oc1ccc(F)cc1 585284565 JUGKXLHMMMKJAE-RCCFBDPRSA-N 323.408 2.503 0 40 DFAB O=C1CN(c2ncnc3ccsc23)CCN1Cc1ccccc1 1167104382 VYRIFEKMNDYEJQ-UHFFFAOYSA-N 324.409 2.540 0 40 DFAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 7078386 LDUZPIPSVSEDKH-GJSJWPQCSA-N 318.373 2.785 0 40 DFAB COc1ccccc1-c1nc2cc3c(cc2c(=O)o1)OCCO3 12619622 FKSBHSQGFGGOEF-UHFFFAOYSA-N 311.293 2.635 0 40 DFAB Cc1cccc(OCC(=O)NCc2ccc(C(=O)O)cc2)c1C 13092180 YSMQBXZNZGZJLS-UHFFFAOYSA-N 313.353 2.697 0 40 DFAB O=C(NCCn1ccnc1)c1cc(Cl)cc(C(F)(F)F)c1 153761120 BRFORMVBXNBZAG-UHFFFAOYSA-N 317.698 2.985 0 40 DFAB O=C(OCc1cnc(-c2ccco2)o1)c1ccn2cncc2c1 156153883 CYPNXTPANJKCEC-UHFFFAOYSA-N 309.281 2.939 0 40 DFAB O=C(NCCc1c[nH]c2ncccc12)[C@@H]1CCc2ccccc21 533100426 QMQVWVGJPQIRAW-QGZVFWFLSA-N 305.381 2.952 0 40 DFAB CO[C@H]1CO[C@]2(CCCN(C(=O)CCc3ccccc3F)C2)C1 1565549746 BHQHJUXPBCEPLF-CRAIPNDOSA-N 321.392 2.555 0 40 DFAB Cc1csc2ncc(C(=O)Nc3ccc(F)cc3F)c(=O)n12 4121169 MIGZDAMUXIKSHP-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB COCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1 16903779 PFMZDCCXRZHHBR-CQSZACIVSA-N 312.369 2.623 0 40 DFAB CC[C@@](CNc1cc(C)nc2ncnn12)(OC)c1ccccc1 1775972253 FNAABJYUZQATTM-KRWDZBQOSA-N 311.389 2.797 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 20130215 DSHAACHEQYSHCH-UHFFFAOYSA-N 322.424 2.581 0 40 DFAB COc1c(C)cnc(CNC(=O)[C@@H](OC)c2ccccc2)c1C 50448049 ADHMRERXPJFXPO-KRWDZBQOSA-N 314.385 2.711 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 40554135 MLQLYKXWRQSDAA-DOTOQJQBSA-N 314.429 2.829 0 40 DFAB COc1cccc2c1N(C(=O)CCN1CCSC1=O)CCC2 40504688 ZFJHVVYJQMVXTB-UHFFFAOYSA-N 320.414 2.533 0 40 DFAB Cc1cc(C(=O)NCC(F)(F)F)c(C)n1-c1nccs1 40516612 FPJZQOPGOYNUTN-UHFFFAOYSA-N 303.309 2.843 0 40 DFAB Cc1ncsc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 40529197 YREKPAHTEIAUIP-SECBINFHSA-N 304.371 2.714 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1cccc(Cl)c1 101142769 QRZWZSAHUUMHES-DUBDDPSESA-N 302.761 2.517 0 40 DFAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(F)cc1 226983 SEAATSLGECTGKQ-UHFFFAOYSA-N 314.345 2.776 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1 21002401 PNSIVJMLAATWPF-UHFFFAOYSA-N 306.343 2.581 0 40 DFAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3O)cc2c1 313567 LGACNSCOKPOZAO-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 386720 HTAKEQVRMGMBHN-UHFFFAOYSA-N 315.804 2.885 0 40 DFAB O=C(CCCn1cnc2ccccc2c1=O)NC1CCCCC1 32845731 BCHKYBJUTBAEGO-UHFFFAOYSA-N 313.401 2.626 0 40 DFAB CCC(CC)(CCCNC(=O)c1c(C)noc1C)C1OCCO1 69921764 DNDUSWQMBXCEOY-UHFFFAOYSA-N 324.421 2.981 0 40 DFAB C[C@H]1CN(C(=O)NCc2ccco2)[C@H](c2ccccc2)CO1 76066725 QROGHAWMFVUNPB-BBRMVZONSA-N 300.358 2.951 0 40 DFAB CCOCCC(=O)N[C@@H]1CCc2c(Br)cccc21 76822687 VUZROKLBXYESNP-CYBMUJFWSA-N 312.207 2.979 0 40 DFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 1465758 ADKFVONVCIXICR-LRDDRELGSA-N 307.415 2.824 0 40 DFAB in-vitro O=C(c1ccccn1)N1CCC[C@@H](CN2CCCCCC2)C1 103096752 WZQPDBPFZCGRND-INIZCTEOSA-N 301.434 2.810 0 40 DFAB C[C@H](C1CC1)N(C(=O)Cn1ccc(=O)c2sccc21)C1CC1 78988078 YJDXCGHMPGMTIK-LLVKDONJSA-N 316.426 2.853 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCSc3ccncc32)cc1F 79060910 YSSSGSPOOLVQJB-UHFFFAOYSA-N 324.402 2.830 0 40 DFAB O=c1cc(CN2CCSCC2)occ1OCc1ccccc1 79485139 YGAPNCFERAFBQW-UHFFFAOYSA-N 317.410 2.768 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1 71831254 STOGNHJLXYSUAT-GFCCVEGCSA-N 322.748 2.891 0 40 DFAB C[C@@H](CNC(=O)Nc1ccncc1)N1CCc2sccc2C1 47010030 IYCSEVQVENAMMZ-LBPRGKRZSA-N 316.430 2.711 0 40 DFAB Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)n1C 41902267 LHCCHCMASNGLSL-UHFFFAOYSA-N 311.429 2.682 0 40 DFAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[C@H]1CCCO1 7149773 KOQAQFFRSCJDCR-SSDOTTSWSA-N 300.141 2.768 0 40 DFAB CCOC(=O)CCC(=O)Nc1ccc(N2CCCCC2)cc1 8194622 SASQEWIDPCZTKR-UHFFFAOYSA-N 304.390 2.959 0 40 DFAB O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1Cl 8377192 MJNXOCKCCAWZEG-QWRGUYRKSA-N 324.229 2.575 0 40 DFAB CCn1cc(C(=O)Nc2cccc(C)n2)c(=O)c2ccc(C)nc21 12325122 PGPIWAQWEOKOOH-UHFFFAOYSA-N 322.368 2.681 0 40 DFAB CN(C(=O)COc1cccc(C(=O)NC2CC2)c1)c1ccccc1 54270976 PIVZYVSNUFJZEZ-UHFFFAOYSA-N 324.380 2.621 0 40 DFAB Cc1ccsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 47231578 KUVSXBUTVQBPLF-UHFFFAOYSA-N 316.430 2.614 0 40 DFAB CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 23321248 NHFKCKMTXJPNOA-CVEARBPZSA-N 312.344 2.928 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)Cc1cccc(C(F)(F)F)c1 42534626 WKTOQFACNFHQAG-LLVKDONJSA-N 311.307 2.649 0 40 DFAB Cc1cc(S[C@@H](CC(=O)O)C(=O)O)c2cc(F)ccc2n1 9423787 XHFPXCZNRNYZDN-LBPRGKRZSA-N 309.318 2.702 0 40 DFAB O[C@H](CN1CCCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F 106843265 NINJVFNNGHCLPC-RHSMWYFYSA-N 321.371 2.749 0 40 DFAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1Cc1ccsc1 100214559 MLAIKGLLMAIEMZ-STQMWFEESA-N 301.415 2.684 0 40 DFAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12536363 WWWWVMCQVXQLGC-LBPRGKRZSA-N 324.384 2.912 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccccn2)c1 43878652 PVFHBRMPDJMXHT-NSHDSACASA-N 301.346 2.982 0 40 DFAB COc1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1 71824648 WNSFFIILJHFGBX-UHFFFAOYSA-N 301.390 2.622 0 40 DFAB C[C@H]1CCCN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)C1 57279909 OCOVBJMNMFPHGV-YVEFUNNKSA-N 318.442 2.772 0 40 DFAB CCn1cnnc1C1CCN(Cc2noc3c2CCCC3)CC1 108868046 GMUDDQNBQKZKOJ-UHFFFAOYSA-N 315.421 2.544 0 40 DFAB O[C@H](CNCc1ccc(Cl)c(Cl)c1)CN1CCCCC1 58009031 MRHMZDAUVSYXEW-CYBMUJFWSA-N 317.260 2.930 0 40 DFAB C[C@@H](NC(=O)c1nnc2ccc(Cl)cc2n1)c1ccccn1 57279282 TZOKEVVMJPFYLT-SECBINFHSA-N 313.748 2.564 0 40 DFAB CC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1 10127891 WUFJHJOUGKIHLZ-UHFFFAOYSA-N 312.354 2.902 0 40 DFAB O=C(O)[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 62133986 GBUZRXIMTQGJNW-NSHDSACASA-N 306.749 2.902 0 40 DFAB Cc1n[nH]c(-c2ccccc2NC(=O)c2cnn(C(C)(C)C)c2)n1 58265841 QALBHTWGGISKTE-UHFFFAOYSA-N 324.388 2.984 0 40 DFAB CCc1c(C(=O)N(C)c2ccc(OC)nc2)[nH]c(C)c1C(C)=O 58269792 LLDHQEGOXCQCLT-UHFFFAOYSA-N 315.373 2.768 0 40 DFAB Cc1cc2nc(NC[C@H](O)C(F)(F)F)c3ccccc3n2n1 26704193 DAPYKTDLOCADCP-NSHDSACASA-N 310.279 2.526 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccsc1 48252437 SCZQBVQAWBBUIQ-DGCLKSJQSA-N 318.398 2.823 0 40 DFAB C[C@H]1CN(C(=O)CSc2cccc3cccnc23)CCO1 58342123 XVRMQJKGLSNSGO-LBPRGKRZSA-N 302.399 2.574 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2NCCc1ccccc1 20227163 DSOOMZLWVXNSGD-QGZVFWFLSA-N 313.353 2.705 0 40 DFAB Cn1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cn1 11075150 KOWKZVCYQPWFJP-UHFFFAOYSA-N 306.369 2.831 0 40 DFAB CCN(CC)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1 3337744 VTBQFSSUOOGRBH-UHFFFAOYSA-N 306.406 2.604 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 29567309 QILJNRLUTGCFQY-LLVKDONJSA-N 316.401 2.639 0 40 DFAB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H]1OC(=O)c2ccccc21 8742579 VKMILVCMTMIIKF-MRXNPFEDSA-N 306.321 2.734 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCc1ccccc1 4089108 QSFUEWPAOOSQPR-KRWDZBQOSA-N 306.365 2.618 0 40 DFAB biogenic NC(=O)CCN(C(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 71794728 OMGGDAQIYMJFBC-IRXDYDNUSA-N 308.381 2.699 0 40 DFAB CCCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 13986048 IINQJGNFJJOHEV-ZDUSSCGKSA-N 311.179 2.626 0 40 DFAB CCn1cnnc1CNC(=O)Nc1ccccc1OCC(C)C 65475114 JZZYJWGZNPVTKK-UHFFFAOYSA-N 317.393 2.655 0 40 DFAB CCc1ccc(NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 14075948 WLCJVRUOGGVCGX-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB O=C1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2N1 14017868 VBLYQZMSGNQIRA-UHFFFAOYSA-N 318.279 2.887 0 40 DFAB CCc1ncnc(Sc2nccn2Cc2ccccn2)c1F 301988803 LOURVIVWBYMGNY-UHFFFAOYSA-N 315.377 2.969 0 40 DFAB CCc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1 14266995 NFZFOYYDLGZPPH-UHFFFAOYSA-N 311.385 2.733 0 40 DFAB CC(=O)Nc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1 14241139 PAMDYIFQZYWHSQ-UHFFFAOYSA-N 318.402 2.801 0 40 DFAB COc1cc(C)ccc1OCC(=O)NN1[C@@H](C)CCC[C@@H]1C 6559557 RLJKTGYOLQVKAR-KBPBESRZSA-N 306.406 2.677 0 40 DFAB COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1O 409084127 PIIKPIDTVNSDJN-LCYFTJDESA-N 316.357 2.626 0 40 DFAB COc1ccc2cc(CN(CC(N)=O)C(C)C)c(Cl)nc2c1 6648002 XXKUQNFMDKLCRT-UHFFFAOYSA-N 321.808 2.593 0 40 DFAB Cc1ccc([C@H](C)NC(=O)CSc2nnc(N)s2)cc1C 5636390 WCTFLHBQKWACQF-JTQLQIEISA-N 322.459 2.707 0 40 DFAB CN(C)c1ccc(CNCc2ccc(-n3cccn3)cc2)cn1 42227332 YEGKNUPYDXUXPE-UHFFFAOYSA-N 307.401 2.623 0 40 DFAB O=c1oc2ccccc2n1Cn1c(=O)oc2cc(Cl)ccc21 4889044 ILIMDSALRZCSPE-UHFFFAOYSA-N 316.700 2.662 0 40 DFAB COC[C@@H](NCc1ccnn1C)c1cccc(C(F)(F)F)c1 80203482 DXZMYFZOVFOWLZ-CQSZACIVSA-N 313.323 2.916 0 40 DFAB Cc1nn(CC(=O)N(C)[C@H](C)c2ccccn2)c(C)c1Cl 68000670 YGTCCYKBRQZNRW-LLVKDONJSA-N 306.797 2.768 0 40 DFAB CCc1cccc(C)c1NC(=O)c1ccccc1-n1cnnn1 7653199 BJPUPDMNHMYCLB-UHFFFAOYSA-N 307.357 2.785 0 40 DFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)c1O 7701192 ILQZQGWIJKAOCX-ZDUSSCGKSA-N 319.401 2.942 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 7898569 AHLUNFGENPJXDU-UHFFFAOYSA-N 308.385 2.957 0 40 DFAB COc1ccc2nc(C)cc(OCC(=O)NC3CCCC3)c2c1 7942498 FQXHUCLYJQTRTL-UHFFFAOYSA-N 314.385 2.989 0 40 DFAB CC(C)[C@@H](NC(=O)NC1CCCCC1)c1nnc2n1CCC2 70038209 WCZYKGVFYSBIOA-CQSZACIVSA-N 305.426 2.553 0 40 DFAB Cc1ccccc1N(C(=O)CCNC(=O)[C@H]1C[C@@H]1C)C(C)C 69419406 TVXUYJBYINFLJQ-GJZGRUSLSA-N 302.418 2.899 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2ccsc2)c1 69530423 FZSGGKNESSFILW-LLVKDONJSA-N 318.398 2.710 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Cc1ccccc1Br 69632453 NYHHUNXPGFOBAG-UHFFFAOYSA-N 308.179 2.970 0 40 DFAB O=C(C[C@H]1CCCO1)NCc1ccc(Br)cc1F 71894369 GKDQXMUDFGHDTB-LLVKDONJSA-N 316.170 2.774 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 71927987 AYJJHYJCJVVJIV-SWLSCSKDSA-N 311.385 2.718 0 40 DFAB O=c1c2ccc(Cl)cc2ncn1C[C@H](O)c1ccccc1 9690310 ACSKCKDYESHYPN-HNNXBMFYSA-N 300.745 2.784 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(OC)cc2OC)c1 9694415 XBQUIQWYJZMPII-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB O=S(=O)(c1cc2ccccc2o1)N1CC(c2ccccn2)C1 72153108 BUDDSDBUJLKBTI-UHFFFAOYSA-N 314.366 2.616 0 40 DFAB COC(=O)c1ccc(Cn2ccc(=O)c3sccc32)s1 97014245 WHXABKWJRKUMHF-UHFFFAOYSA-N 305.380 2.959 0 40 DFAB C[C@]12CCCN1C(=O)N(Cc1ccccc1OC1CCC1)C2=O 97045895 UUGSUKAGDOHPCT-GOSISDBHSA-N 314.385 2.935 0 40 DFAB Cc1ccc(C[C@H](CNC(=O)Cc2cccs2)C(=O)O)cc1 97018846 JEBQSLFPVSHHHA-CQSZACIVSA-N 317.410 2.659 0 40 DFAB Cc1nnc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2)n1C 72271063 OKTSQEWINBHCJC-UHFFFAOYSA-N 313.188 2.703 0 40 DFAB COCc1csc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 97113336 ZBUHMCGLJUHGIG-LBPRGKRZSA-N 321.406 2.772 0 40 DFAB C[C@@H]1C[C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)CCO1 95457814 SNQGKLCLXZXHRK-UTUOFQBUSA-N 313.344 2.663 0 40 DFAB CN(C)C(=O)c1cc(Br)sc1Br 88367187 KJWLETMBIYLAAH-UHFFFAOYSA-N 313.014 2.975 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)CCc2nccs2)c(C)c1 74799179 WXWNYNPINXFEDS-UHFFFAOYSA-N 324.471 2.932 0 40 DFAB Cc1cccc(NCc2nnc(Cc3ccccc3)o2)c1C(N)=O 86201355 WADCDLBVHSZXQY-UHFFFAOYSA-N 322.368 2.680 0 40 DFAB Cc1cc(NCc2cn3c(C)cccc3n2)c(C(N)=O)cc1F 75092162 BSCBQCWZMGFUQJ-UHFFFAOYSA-N 312.348 2.801 0 40 DFAB O=C(CN1CCCC1=O)Nc1nc2ccc(Cl)cc2s1 60749279 UEZRPNNETRHTNL-UHFFFAOYSA-N 309.778 2.511 0 40 DFAB 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CC[C@@H]1CN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCO1 45752324 ZEBXEXVCLAGCRK-CMPLNLGQSA-N 321.446 2.773 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cccs1 29709975 ZLOQLDUHWBWDSA-LBPRGKRZSA-N 310.419 2.764 0 40 DFAB Nc1nc(NCc2ccc(Cl)cc2Cl)c2nc[nH]c2n1 8990153 FYHHZRVZZDBJHE-UHFFFAOYSA-N 309.160 2.854 0 40 DFAB Nc1ccccc1S(=O)(=O)NCCCCc1ccccc1 4054460 ASYVSHXCEBDBSV-UHFFFAOYSA-N 304.415 2.570 0 40 DFAB Cc1cc(=O)n(CC(=O)N(C)c2ccccc2)c2ccccc12 28539593 CMSJWDJLFRUFIG-UHFFFAOYSA-N 306.365 2.973 0 40 DFAB O=C(CNC(=O)c1cccs1)Nc1nc2ccccc2s1 13985098 AZBZELBYQKDFFR-UHFFFAOYSA-N 317.395 2.726 0 40 DFAB CC(C)(C)c1csc([C@@H]2CN(CCn3cccn3)CCO2)n1 65512266 LMMCIGGZMNTSSV-ZDUSSCGKSA-N 320.462 2.711 0 40 DFAB O=C(N1CCO[C@@H](CO)C1)N(c1ccccc1)c1ccccc1 96007740 SHYPKELKAHFNLM-QGZVFWFLSA-N 312.369 2.638 0 40 DFAB CC(C)c1nc(CN[C@H](CO)c2ccc(Cl)c(F)c2)no1 96006513 ONEFCSQFAUHWGN-GFCCVEGCSA-N 313.760 2.809 0 40 DFAB CS[C@@H]1c2c(cc(=O)[nH]c2-c2ccccc2C)C(=O)N1C 62716521 GDXDYJULOXZUDY-MRXNPFEDSA-N 300.383 2.798 0 40 DFAB COc1ccccc1[C@@H]1CCN(Cc2c(C)nn(C)c2OC)C1 93593419 HIMLDQHBYPCBNZ-CQSZACIVSA-N 315.417 2.735 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cc2c(cc1Cl)OCO2 9313971 ZZUHFFXPNGNQJJ-UHFFFAOYSA-N 308.721 2.855 0 40 DFAB COCCCNC(=O)Nc1cccc(Cl)c1OCCOC 66967736 ZMMDCOUQHRTVDP-UHFFFAOYSA-N 316.785 2.523 0 40 DFAB Cc1nn(CCO)c(C)c1CNCC12CC3CC(CC(C3)C1)C2 67183900 NEXVMTGKBYCRMG-UHFFFAOYSA-N 317.477 2.798 0 40 DFAB c1ccc(-n2nnnc2SCCCNCc2ccco2)cc1 16523837 LCPOGMWZLUHUCE-UHFFFAOYSA-N 315.402 2.527 0 40 DFAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3Cn3cccn3)cc2c1 70004748 ZKMQCBJMFPRVPY-HNNXBMFYSA-N 308.385 2.978 0 40 DFAB O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 21954723 WLUQQFKZSRXZQV-BIGNPOOSSA-N 309.312 2.823 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1ncc(C)s1)c1ccccc1 8326945 CMMZYZZJZGHJKK-CYBMUJFWSA-N 303.387 2.658 0 40 DFAB Cc1cc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)n(C)n1 69667378 NEVWODSFOYTZRW-UHFFFAOYSA-N 317.299 2.649 0 40 DFAB c1ccc(-c2cc(CN3CCS[C@@H]4COCC[C@@H]43)n[nH]2)cc1 91856956 ROOZUKSEEJXFCB-DLBZAZTESA-N 315.442 2.783 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cccn1 69778927 JBOVCFJYUAMDCK-MSOLQXFVSA-N 324.428 2.571 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CCOC1 97107074 PAJNNMWSQRESSB-VIFPVBQESA-N 312.163 2.627 0 40 DFAB Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1=O 95954763 CLSSTLKEEOOKSX-IAGOWNOFSA-N 310.397 2.842 0 40 DFAB C[C@@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)Oc1ccc(F)cc1 95939804 GIDQFQBITOCCBN-SUMWQHHRSA-N 320.408 2.584 0 40 DFAB COc1cccc([C@H](O)C(=O)NC[C@H](C)c2cccs2)c1 95979383 YEZADSUZRWTSQA-NHYWBVRUSA-N 305.399 2.710 0 40 DFAB COC(=O)C[C@@H]1CCCCN1C(=O)[C@@]1(C)CC1(Cl)Cl 95956317 RUVRMEPMWNIEBF-JOYOIKCWSA-N 308.205 2.515 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)no1 95954193 MVQYPRKTLDHOCI-HNNXBMFYSA-N 323.356 2.541 0 40 DFAB C[C@@H](Nc1nccc(OCc2ccccc2)n1)c1cnn(C)c1 89600079 NATBEYBRQMBETB-CYBMUJFWSA-N 309.373 2.962 0 40 DFAB NC(=O)[C@H](NC[C@@H]1SCCc2ccccc21)c1ccccc1 89823169 ZPTBULIQRUVONV-DLBZAZTESA-N 312.438 2.833 0 40 DFAB CN(C)c1ccc(C2CCN(C(=O)c3cccnc3)CC2)nc1 72368207 QGTIFADGBRJFJX-UHFFFAOYSA-N 310.401 2.562 0 40 DFAB COc1cccc2c1CCN(Cc1nc(CC(C)C)no1)C2 182684542 PTZGNVLLPBOCHM-UHFFFAOYSA-N 301.390 2.835 0 40 DFAB CC(=O)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 122838467 GQOWVPJLMXWMGN-UHFFFAOYSA-N 323.318 2.922 0 40 DFAB COc1ccc2c(ccn2CC(=O)N[C@@H]2CCOC(C)(C)C2)c1 70666404 JZCZTDHONVEZFG-CQSZACIVSA-N 316.401 2.724 0 40 DFAB biogenic Cc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)CC2)o1 33316691 XTXQAZVVMQPQRJ-KTKRTIGZSA-N 310.397 2.946 0 40 DFAB COc1cccc(NC(=O)CCN(C)C2CCC(OC)CC2)c1 72637373 WXCMBMHSOVAXBN-UHFFFAOYSA-N 320.433 2.913 0 40 DFAB O=C(NCCCc1ccccc1)NC[C@H](O)C1CCCCC1 69225489 OOGLJOJZBBXXGN-KRWDZBQOSA-N 304.434 2.860 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)C1 129941317 SDKQGARFZLBWGQ-SUMWQHHRSA-N 319.424 2.870 0 40 DFAB CCOc1cc(C(=O)NCCCOC)cc(Cl)c1OCC 33740248 ZVPWACOIZHZKLT-UHFFFAOYSA-N 315.797 2.904 0 40 DFAB Cc1nn(C)c(NC(=O)Cc2cc(-c3ccccc3)on2)c1C 71912097 BAKJGROAFQWAQB-UHFFFAOYSA-N 310.357 2.873 0 40 DFAB C[C@H]1CN(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C 72203167 CEOVRKUFTYYUTQ-JTQLQIEISA-N 312.801 2.576 0 40 DFAB O=C(O)Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 73661875 VSQKLRDQDOQQOL-UHFFFAOYSA-N 312.350 2.675 0 40 DFAB COC(=O)[C@H](C)Sc1nnc(COc2cccc(C)c2)o1 40456775 CJQUKGNSFPFSIP-JTQLQIEISA-N 308.359 2.611 0 40 DFAB CCO[C@@H]1C[C@H](Nc2cccc(CC(=O)OC)n2)C12CCC2 195002612 JTXAAZASSQCNFI-UONOGXRCSA-N 304.390 2.557 0 40 DFAB Cn1cc([C@H]2OCC[C@@H]2CNCc2csc(C3CC3)n2)cn1 84317604 KOWFLXVNEKTSJS-DOMZBBRYSA-N 318.446 2.621 0 40 DFAB CCOc1ccc(CNC(=O)[C@@H](C)OCC(C)C)cc1OC 40534889 BZRYSIARAKEIGP-CYBMUJFWSA-N 309.406 2.771 0 40 DFAB Cc1nc2c(Nc3cnn(Cc4ccccc4F)c3)ncnc2[nH]1 41121256 UVODLLXKLYQYPZ-UHFFFAOYSA-N 323.335 2.789 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccccn1 81622824 LXVDBYFOFBIKNV-OAHLLOKOSA-N 309.413 2.881 0 40 DFAB c1ccc([C@H](CN[C@H]2CCCSC2)N2CCOCC2)cc1 195558457 HTJJAJAZHVOTIQ-IRXDYDNUSA-N 306.475 2.545 0 40 DFAB Cc1nc(-c2nnsc2C(=O)OCc2ccc(F)cc2)co1 223860396 FIACWVVKQHENLC-UHFFFAOYSA-N 319.317 2.998 0 40 DFAB Cn1ncc(C(=O)Nc2ccc3cc[nH]c3c2)c1-n1cccc1 44920093 YRYPNAHPWIWKBA-UHFFFAOYSA-N 305.341 2.944 0 40 DFAB CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CCCCC1 44900906 HEMWHOAGDWBPDX-UHFFFAOYSA-N 302.418 2.928 0 40 DFAB CCOCc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 81638131 MFPSNSLCSCYGRS-GDBMZVCRSA-N 306.406 2.896 0 40 DFAB COCCNC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 96495688 SHMDBCQSMZWKME-UHFFFAOYSA-N 308.769 2.602 0 40 DFAB N[C@H](c1ccc(F)cc1)c1nc(COc2ccc(F)cc2)n[nH]1 95533285 RCKUKDFDFPXSIX-OAHLLOKOSA-N 316.311 2.710 0 40 DFAB Cc1nnc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)o1 96414959 GNSJBQXHDCZWAQ-CYBMUJFWSA-N 303.337 2.612 0 40 DFAB CC[C@@](O)(CNCc1ncc[nH]1)c1ccc(Br)cc1 96473209 LYNRIJRJFMRILX-CQSZACIVSA-N 324.222 2.560 0 40 DFAB CO[C@]1(CNc2ccccc2OCC(F)(F)F)CCOC1 583650779 BAYNLWHVDRXRFS-ZDUSSCGKSA-N 305.296 2.845 0 40 DFAB O=C1CN(Cc2ccccc2)[C@H](c2ccc(-c3cccnc3)o2)N1 96429905 TYHRJWGXHZHXLQ-LJQANCHMSA-N 319.364 2.972 0 40 DFAB Fc1ccc(C2CC(NC[C@H]3COC4(CCOCC4)O3)C2)cc1 97371130 LSIPBNAOYKJFES-PREGVCBESA-N 321.392 2.583 0 40 DFAB c1ccc(O[C@@H]2[C@H]3CC[C@H]2N(Cc2ccc4c(c2)OCO4)C3)nc1 248332476 IYEKJKGWDUDWMQ-QMTMVMCOSA-N 324.380 2.852 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cn1 257294257 QTGNXPSKRUHOBG-SFHVURJKSA-N 309.413 2.809 0 40 DFAB Cc1nc(C(=O)N2CCCC[C@H]2C)cc(C2CCN(C)CC2)n1 257280152 OJRXKGAILUOOIP-CYBMUJFWSA-N 316.449 2.609 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2cncc(-c3nc(C)c[nH]3)n2)ncn1 257206581 BECIQGHTWSVDCP-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB CN(C)c1cc(CNC(=O)c2cc(Cl)ccc2F)ccn1 48340340 OKLIEIPHJVQECR-UHFFFAOYSA-N 307.756 2.870 0 40 DFAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 37226261 HNBNYEWADOZUKN-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB COCCOCC(=O)NC1c2ccccc2Oc2ccccc21 75611213 GNZHUXISTQRNSH-UHFFFAOYSA-N 313.353 2.661 0 40 DFAB NCC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98211067 KQWGYJGFAUENAI-SECBINFHSA-N 317.185 2.632 0 40 DFAB Cc1ccc2nc(-n3ccnc3C)c(-n3ccnc3C)nc2c1 5530213 GHIWVWHKJZKUAM-UHFFFAOYSA-N 304.357 2.926 0 40 DFAB COc1ccc(Cn2c(C(=O)O)cc3ccccc3c2=O)cc1 12900862 GAKQTFPAOMVFQP-UHFFFAOYSA-N 309.321 2.757 0 40 DFAB biogenic CCc1nn2c(=O)cc(COc3cccc(C)c3C)nc2s1 13367687 BQTLQDUQNUUWPV-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB COc1ccccc1[C@H](CC(=O)N1CCN(C)CC1)C(C)C 13684623 YKOOPBQSVHEJQL-MRXNPFEDSA-N 304.434 2.599 0 40 DFAB O=C(Cc1csc(NC[C@H]2CCCO2)n1)Nc1ccccc1 13998629 NVHZZSNUBCHUMA-CQSZACIVSA-N 317.414 2.915 0 40 DFAB Oc1cc(CSc2ncccn2)nn1-c1ccc(F)cc1 14162653 LJEDQBHNUDKEDT-UHFFFAOYSA-N 302.334 2.799 0 40 DFAB CC(C)c1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 16726219 IJMVEJUNYWNTFT-UHFFFAOYSA-N 318.398 2.710 0 40 DFAB Cc1ccc(N2CN(CCO)CN=C2c2ccccc2)c(C)c1 19974146 WKZXOTDXZKARAJ-UHFFFAOYSA-N 309.413 2.780 0 40 DFAB CCc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1 15911509 KBHRJZOLFGEGSN-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@@]2(CCNC2)C(F)(F)C1 257971449 IJQIHOWTPVSKNK-OAHLLOKOSA-N 310.344 2.644 0 40 DFAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccncc1 248330 VYLDPSVXLWTIAJ-OAHLLOKOSA-N 303.406 2.741 0 40 DFAB CCOCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 22507865 JQSNZHGRIDZMNR-UHFFFAOYSA-N 318.421 2.557 0 40 DFAB Cn1nc(CNC(=O)c2ccc(Br)o2)cc1C1CC1 96099327 DVTBKCMBVRTEHO-UHFFFAOYSA-N 324.178 2.583 0 40 DFAB CN(C)[C@H]1CCOC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)C1 1565545400 HOYULJOBKPCXIY-WMZOPIPTSA-N 320.477 2.835 0 40 DFAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)o1)C(C)C 1328780 GKGZENUNZJYJAU-UHFFFAOYSA-N 320.418 2.869 0 40 DFAB Fc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)c(F)c1 9183646 CVOTWKUGHBKCCQ-UHFFFAOYSA-N 316.296 2.588 0 40 DFAB CCNc1nc2c(s1)[C@H](c1ccc(O)c(OC)c1)CC(=O)N2 15110083 YRHCNCQIHKVEIF-VIFPVBQESA-N 319.386 2.763 0 40 DFAB Cc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)nn1C 35596687 DUXZYWCUOBHNIG-UHFFFAOYSA-N 321.384 2.655 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(C)cc2O)cc1 31367797 YJOWTBKWWITKKH-UHFFFAOYSA-N 313.353 2.759 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1ccccc1F)c1ccccc1 21869803 NYQCXWQXCLMFPY-QGZVFWFLSA-N 300.377 2.787 0 40 DFAB CCC(=O)Nc1nc(C)c(C(=O)NCc2ccccc2)s1 412853 PJLFZTTXYDPKIQ-UHFFFAOYSA-N 303.387 2.730 0 40 DFAB COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 899370 FTODBIPDTXRIGS-CYBMUJFWSA-N 302.282 2.519 0 40 DFAB biogenic,in-vitro CCOC(=O)c1cnc(SC)nc1Nc1onc(C)c1C 1414957 KBWAASIGWOUEEQ-UHFFFAOYSA-N 308.363 2.724 0 40 DFAB Cc1oc(-c2ccco2)nc1Cn1ccnc1-c1cnccn1 76062624 ZOOXCJGVFSZAIN-UHFFFAOYSA-N 307.313 2.945 0 40 DFAB O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCCC1 2791377 KSGIEQHZGMQUMM-UHFFFAOYSA-N 310.332 2.771 0 40 DFAB CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1cccnc1 78556696 MXLOCDLMOIBQMF-LBPRGKRZSA-N 308.407 2.686 0 40 DFAB O=C(COC(=O)c1ccccc1Cl)NCc1ccccc1 1919403 IIDGJAFDQAZZBR-UHFFFAOYSA-N 303.745 2.813 0 40 DFAB CC(C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 545134 HPROVGBJNVCNMU-JTQLQIEISA-N 304.268 2.936 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)COc3cccc(C)c3)ccc21 12133438 FLSQCWNANVMHMI-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB NC(=O)[C@@H](c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 41887982 LRHMXOKSPPASOD-GOSISDBHSA-N 308.381 2.708 0 40 DFAB CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccsc1 22766939 OUKRPBGKDPQFEK-OAHLLOKOSA-N 321.421 2.989 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1=O 4975553 KWNZVABICVIOKB-DZKIICNBSA-N 314.429 2.852 0 40 DFAB CC(C)(C)NC(=O)COCc1cc(-c2ccc(F)cc2)on1 6876419 IOKLAOLBDWTJFT-UHFFFAOYSA-N 306.337 2.912 0 40 DFAB Cc1nc2ncc(C(=O)Nc3ccccc3Cl)c(C)n2n1 10338729 DFVMKJVAVFRYTC-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB CC(=O)c1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1 109741031 FOMSFVNOHSAKOM-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB CCc1cc2c(=O)n(Cc3nc(C(C)(C)C)no3)cnc2s1 24047866 KNYNKHLPAMOQMN-UHFFFAOYSA-N 318.402 2.749 0 40 DFAB CC(=O)Nc1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 24798355 RYPLVDZBXXZAJC-VIFPVBQESA-N 307.341 2.876 0 40 DFAB CCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 9995109 UOAYMDYKNCDXFF-UHFFFAOYSA-N 302.296 2.950 0 40 DFAB O=S(=O)(Cc1ccccc1)N[C@H]1CCOc2ccccc21 25766878 XXLWTOPOUYOJPK-HNNXBMFYSA-N 303.383 2.630 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)c1ccoc1C)CC2 56462149 BBDNNYMAFSOWIZ-UHFFFAOYSA-N 315.369 2.846 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1ccc(Br)cc1F 35300990 HPKBJHZFBBRKDQ-LLVKDONJSA-N 302.143 2.637 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc[nH]1 58123672 WXOZBRMGEVMSIJ-UHFFFAOYSA-N 308.385 2.806 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(F)cc2)C1 48270231 DELHOKXRIFMDMV-HUUCEWRRSA-N 306.425 2.852 0 40 DFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2nccs2)cc1 44889268 WWDNKSSPLGMCCW-CQSZACIVSA-N 317.414 2.927 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCCc1cccs1 44895612 CXBVDEHZRZYWPE-UHFFFAOYSA-N 311.410 2.835 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)C)cc1 58245895 BFSGXNOALRETLO-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB O=S(=O)(NCc1ccccc1)c1cc(-c2ccno2)cs1 44917986 XRPDKWVNHXNMQF-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB Cc1cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)on1 44907465 GAOBNAZDYBQMGA-GFCCVEGCSA-N 308.403 2.580 0 40 DFAB O=C(CCc1cc(F)ccc1F)N1CCC(n2ccnc2)CC1 58377897 CGEWPRZSYDHVNG-UHFFFAOYSA-N 319.355 2.958 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 28027179 RXQLMNMCLHCECT-QMMMGPOBSA-N 309.366 2.739 0 40 DFAB O=C(C1CC=CC1)N1CCC[C@@]2(CC1)CCN(CC1CC1)C2=O 108535772 FOJYOEIXYNGEBQ-LJQANCHMSA-N 316.445 2.594 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccccc2)C1 36420504 RYRHBKCRVIVXEY-ZBFHGGJFSA-N 308.447 2.800 0 40 DFAB Cc1ccc([C@@H]2C[C@@H]2NCc2c(C)nn(CCO)c2C)cc1C 71837273 BWBJZXIMPYQASF-HKUYNNGSSA-N 313.445 2.755 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71284228 FYTUORXCTKQFPX-CHWSQXEVSA-N 318.373 2.576 0 40 DFAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385127 WXOSXPQEIMLHLC-NSHDSACASA-N 318.760 2.602 0 40 DFAB COc1ccc(C)cc1NC(=O)c1ccc(CNC(C)=O)cc1 14021518 UJPOOHHCFFMJEZ-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1cc2ccccc2[nH]1 65624221 AXDNMLNTEGEMNQ-UHFFFAOYSA-N 320.308 2.764 0 40 DFAB CCOC(=O)NC(=O)CSc1cc(C)c2ccccc2n1 6561546 LAGVVNHIMNPAAW-UHFFFAOYSA-N 304.371 2.908 0 40 DFAB Cc1ccc(Cn2nc(C)c(C=O)c2SCC(=O)O)cc1 9664707 PAVDPRMTBAZXAG-UHFFFAOYSA-N 304.371 2.537 0 40 DFAB O=C(CCNC(=O)NC1CCCCC1)NC1CCCCCC1 14898426 NGEOWUABQIXNJH-UHFFFAOYSA-N 309.454 2.847 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCCC3)n2)cc1 5867367 DWZWUNNJTXIJBZ-GFCCVEGCSA-N 316.430 2.883 0 40 DFAB Cn1nccc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 96003018 DDLOOEQFLCNMBF-CQSZACIVSA-N 313.405 2.539 0 40 DFAB C[C@H](CCCC(C)(C)O)Nc1ccc(-c2nccn2C)nn1 67490640 NKGLMDWFKHFNPT-GFCCVEGCSA-N 303.410 2.619 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1 67620378 RTCYADINJYHOMB-INIZCTEOSA-N 320.408 2.618 0 40 DFAB COc1ncccc1N(C)S(=O)(=O)c1cc(C)c(C)s1 91041801 GFIXOVMTXJTOLI-UHFFFAOYSA-N 312.416 2.594 0 40 DFAB CC(C)n1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)n1 70039678 XALZQSARQMMQQH-UHFFFAOYSA-N 318.465 2.689 0 40 DFAB COC[C@H]1CN(C(=O)N[C@@H](c2ccccc2C)C(C)C)CCO1 96440161 XJQCWBVFORZQQV-NVXWUHKLSA-N 320.433 2.749 0 40 DFAB COCCOCC(=O)N[C@@H](C)Cc1ccc2ccccc2c1 69415100 GAYRJWVRDLMDSL-AWEZNQCLSA-N 301.386 2.550 0 40 DFAB CCc1ccc(C(=O)NCCCNC(=O)c2cccs2)cc1 8402199 NTXSHVBXPWHOKL-UHFFFAOYSA-N 316.426 2.860 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 69513302 KWASNMQTPDXMHH-CYBMUJFWSA-N 308.447 2.825 0 40 DFAB C[C@H](Cn1cccn1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 69560055 XIUFQWTVJHQZAD-BXUZGUMPSA-N 313.323 2.614 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1cccc2cccnc12 9548332 CIUTZENPSWXLDR-UHFFFAOYSA-N 309.325 2.586 0 40 DFAB O=c1cc(CN(Cc2ccco2)C2CCCC2)[nH]c2ccnn12 69816470 PXZSDAOMQWGKKV-UHFFFAOYSA-N 312.373 2.560 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H]1Cn1cccn1 71866262 PQCASMGKFVJOEW-CYBMUJFWSA-N 302.378 2.608 0 40 DFAB CCOC(=O)[C@@H]1CCCN(CC(=O)c2c[nH]c3ccccc23)C1 96833693 QDPYKLNBTQXUPE-CYBMUJFWSA-N 314.385 2.626 0 40 DFAB CCc1c(C(=O)Nc2c[nH]c(=O)cc2C)cnn1-c1ccccc1 72312108 WZGVGBBPBUWFST-UHFFFAOYSA-N 322.368 2.684 0 40 DFAB Cn1ccnc1CNc1cnn(Cc2ccc(Cl)cc2)c1 97022379 LVSLIRTXMIWBHF-UHFFFAOYSA-N 301.781 2.930 0 40 DFAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 29508177 KIZUYGRATJKNDJ-UHFFFAOYSA-N 322.361 2.840 0 40 DFAB CCc1cnc(C(=O)N(C)[C@@H](CCO)c2ccccc2)s1 97115727 YYHUFBANUVKDAT-AWEZNQCLSA-N 304.415 2.901 0 40 DFAB Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(C(=O)O)co2)cc1 97115272 PGOHBSCSJACORK-LBPRGKRZSA-N 301.342 2.989 0 40 DFAB Cn1cnnc1C[S@@](=O)Cc1c(Cl)cccc1Cl 97164036 YYVMIWBIOPBQDE-GOSISDBHSA-N 304.202 2.571 0 40 DFAB CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C 97673670 MRMXRQDZOOGIBV-AWEZNQCLSA-N 323.389 2.694 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NCc3nc[nH]n3)c(F)c2)cc1 95389688 DLHFXNZSJTYIMW-UHFFFAOYSA-N 310.332 2.849 0 40 DFAB CCCCO[C@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84746655 WFTFAKVTQNKKGM-YPMHNXCESA-N 307.394 2.816 0 40 DFAB Cc1nnc2c(NCc3ccccc3COC(C)C)nccn12 95405401 OYBAVHMUTPBOQE-UHFFFAOYSA-N 311.389 2.970 0 40 DFAB Cc1ccc(OC[C@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)cc1 95404534 VBUZRFTZNDJKAV-UONOGXRCSA-N 316.405 2.556 0 40 DFAB COC[C@@H](NC(=O)NCc1sc(C)nc1C)c1ccco1 89559203 HNEBPGVSXCWECS-LLVKDONJSA-N 309.391 2.540 0 40 DFAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)CCn1cncn1 75138389 UUHAHHUPHBOYGL-UHFFFAOYSA-N 324.388 2.751 0 40 DFAB C1CCc2nnc([C@H]3CCCN3c3nc(C4CC4)no3)n2CC1 89819284 OYJWIWBTZDCEBT-GFCCVEGCSA-N 314.393 2.606 0 40 DFAB C[C@H](N)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 21948422 XSKAVNAYEIVLKN-YJBOKZPZSA-N 315.486 2.954 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2cccnc2)no1 32824564 RWCFTEFOCPAGCR-TZMCWYRMSA-N 314.389 2.759 0 40 DFAB COc1cccc(-c2ccc3nc([C@@H]4CCCNC4)nn3c2)c1 306135618 OWAGXDBPKVIIRW-CQSZACIVSA-N 308.385 2.872 0 40 DFAB CC(C)[C@](C)(CC(=O)O)NC(=O)c1cc2ccccc2n1C 516537758 FXNGVMMFGFWQSM-KRWDZBQOSA-N 302.374 2.798 0 40 DFAB C[C@@H]1CN(C(=O)Cc2ccc(O)cc2Cl)CC2(CCC2)O1 517375630 ZORJKVKTOLVNRC-LLVKDONJSA-N 309.793 2.758 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)NC(=S)N1 3844158 KYJKZYBRRYMTTF-CQSZACIVSA-N 304.415 2.679 0 40 DFAB biogenic CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 526007048 JYSUMPIQQZLOFK-BARDWOONSA-N 315.479 2.675 0 40 DFAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc2c(c1)CCC2=O 529109481 KSZTYSUXGLEWOH-APPDUMDISA-N 300.358 2.505 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)o1 79351033 YYNRCLXDJSAMMN-AWEZNQCLSA-N 315.304 2.938 0 40 DFAB O=C(NCCN1CCOCC1)c1cc(-c2cccs2)cs1 72243213 ISNDTQMZKIHIQN-UHFFFAOYSA-N 322.455 2.539 0 40 DFAB Cc1ccn2c(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc2c1 216613569 POKWNZDVUHIYOK-UHFFFAOYSA-N 306.329 2.767 0 40 DFAB Cc1noc([C@@H](C)OC(=O)[C@@H]2CSc3ccccc3O2)n1 78985926 AHTALUMVDIBDOR-KCJUWKMLSA-N 306.343 2.536 0 40 DFAB Cn1ncc2c1CCC[C@H]2NCc1cccc2c1OCCCO2 42797098 UIODGBAPTHKMKU-OAHLLOKOSA-N 313.401 2.749 0 40 DFAB COc1ccc(OC)c(NS(=O)(=O)c2cccc(C)c2)c1 47367581 SFOFBVFWFLGLID-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CCOc1cc2oc(=O)c(C(=O)O)cc2cc1Br 72219785 PDOWCYIIUDHMPX-UHFFFAOYSA-N 313.103 2.652 0 40 DFAB O=C(NCC1(O)CCOCC1)c1ccc(-c2ccccc2)cc1 70638904 JWTXTGGBBFIMIM-UHFFFAOYSA-N 311.381 2.625 0 40 DFAB COc1ccc2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 45920463 DOSXNBARFROFJX-UHFFFAOYSA-N 308.297 2.790 0 40 DFAB CO[C@@H](CNC(=O)c1cnoc1C)c1ccc(Cl)s1 225704114 MHEOEZYORNCDIW-VIFPVBQESA-N 300.767 2.815 0 40 DFAB COc1ccc([C@H]2CCCN2c2nc(C(=O)O)co2)c(OC)c1 569248030 FOFHLXROWSUIEZ-CYBMUJFWSA-N 318.329 2.732 0 40 DFAB C[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1)C1CCOCC1 192917887 WUTRTIGYEIILCG-OLZOCXBDSA-N 319.401 2.951 0 40 DFAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1N(CC)CC 226103686 CUUOHESANBRFFK-UHFFFAOYSA-N 314.389 2.749 0 40 DFAB CCC[C@@]1(C)CCCN(C(=O)c2ccnc(C(=O)OC)c2)C1 81815110 AOCMRTLWCZOMAO-KRWDZBQOSA-N 304.390 2.911 0 40 DFAB Clc1ccc([C@H](CNCc2ncc[nH]2)n2cccn2)cc1 83476178 IXVKUTQIMRYJCX-AWEZNQCLSA-N 301.781 2.639 0 40 DFAB CCN1CCCN(C(=O)CCCc2ccc(OC)c(F)c2)CC1 84600684 JKYIKRLHCYTXLU-UHFFFAOYSA-N 322.424 2.711 0 40 DFAB CSc1ncc(-c2nnsc2C(=O)OCCC(C)C)cn1 223854238 AGYDPAOVAUYPCS-UHFFFAOYSA-N 324.431 2.920 0 40 DFAB O=C(O)[C@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1 225606270 XMMRDVWAEOSRGS-WAZAZEMKSA-N 300.383 2.814 0 40 DFAB O=C1[C@H](Sc2nncs2)CCCN1Cc1ccccc1 89635586 VWZNWZJCLSCIQV-GFCCVEGCSA-N 305.428 2.821 0 40 DFAB COc1cccc(CN2CC[C@]3(CCN(CC4CC4)C3)C2=O)c1 96050689 IXUXJUZTFSLGKV-IBGZPJMESA-N 314.429 2.530 0 40 DFAB Cc1cc(NC(=O)NC(C)(C)CO)nn1-c1ccccc1Cl 96495638 UPSJGAAHRAJWGY-UHFFFAOYSA-N 322.796 2.727 0 40 DFAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)/C=C/c1ccc(F)cc1 96450750 IXJJEHBKIGKFKA-LTVAEWHBSA-N 309.406 2.602 0 40 DFAB CC[C@@H](NC(=O)CNCC(F)(F)F)c1cc(F)ccc1F 96419340 WVBSCNFNJUJAFX-LLVKDONJSA-N 310.266 2.684 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2ccccc2)C1 96435882 NTAGXBDHPAQARO-GJZGRUSLSA-N 318.417 2.996 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2CCOC(C)C)cc1 583615533 FGQDJDOSLGLPTJ-ROUUACIJSA-N 307.434 2.792 0 40 DFAB C[C@@H](CO)N(C)C(=O)Nc1nc(Cc2ccccc2)cs1 97372896 ZIMQXSZJMMMXTG-NSHDSACASA-N 305.403 2.578 0 40 DFAB CC(=O)N[C@H]1CCCN(C(=O)CCCc2cc(C)sc2C)C1 96460664 ZWVJGVFITPPEIJ-INIZCTEOSA-N 322.474 2.815 0 40 DFAB O=C(O)C[C@H](NC(=O)c1ccc2[nH]ncc2c1)c1cccs1 97109111 KSEDGBCQIIJXNX-LBPRGKRZSA-N 315.354 2.570 0 40 DFAB Cc1cccc(C[C@H]2CCCN(C(=O)c3cncs3)C2)n1 257278523 OCOUNIGTAPNOBM-CYBMUJFWSA-N 301.415 2.941 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2ccnnc2)CC1 257262087 LJZODPMNNKZEDB-UHFFFAOYSA-N 322.821 2.780 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1 257250305 JLZITAKJFZZSAV-INIZCTEOSA-N 312.417 2.937 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]12Cl 254569773 SXIFUYIBLDTKKR-HXQYEIESSA-N 309.192 2.738 0 40 DFAB Cc1nccc([C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 257275479 NPOUVXJFDCMCKB-AWEZNQCLSA-N 301.415 2.795 0 40 DFAB CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@@H]2CCCN(C)C2)CC1 252536926 JUOPBAQLZQBKFK-IPMKNSEASA-N 305.510 2.691 0 40 DFAB Cc1ccsc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257231123 GFJFHOHLFZHVEU-LBPRGKRZSA-N 317.414 2.671 0 40 DFAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1cccc(F)c1 257259299 KXSMJDJWOXPXTB-HNNXBMFYSA-N 316.380 2.588 0 40 DFAB CCn1c(CN(C2CC2)[C@@H](C)C(=O)O)nc2cc(F)ccc21 263191141 VSGYEGVJLHRCON-JTQLQIEISA-N 305.353 2.633 0 40 DFAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccncc3)cc2)C1 96122415 ISEGLQKXQCUJCL-KRWDZBQOSA-N 311.385 2.949 0 40 DFAB Cc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)n(C)n1 65462362 PUQDICWROSKENQ-UHFFFAOYSA-N 313.401 2.550 0 40 DFAB CC(C)(C)c1cnc(CN2CCC(CN3CCOCC3)CC2)o1 69590723 XTTCLWRURRKFLJ-UHFFFAOYSA-N 321.465 2.516 0 40 DFAB Cc1ccsc1-c1nnc(SCCN2CCOC2=O)o1 69778209 NBEIDTPPSAXYET-UHFFFAOYSA-N 311.388 2.651 0 40 DFAB O=C(N[C@]1(C(=O)O)CCSC1)c1cc(Cl)ccc1Cl 43503577 NLSYQXCALDHHRW-GFCCVEGCSA-N 320.197 2.684 0 40 DFAB Cc1ccn(-c2ccccc2NC(=O)CCc2cn(C)nc2C)n1 84248026 ABOWIUNIISPGOW-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB C[C@H](C(=O)N[C@H](c1ccccc1)c1ccncc1)n1cccn1 74123424 OEUZUKMGCJEABW-RHSMWYFYSA-N 306.369 2.745 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2ncccc2c1 78897822 CJPPNWVDHOZSRH-KDOFPFPSSA-N 323.440 2.971 0 40 DFAB Cc1ccc2cccc(C(=O)Nc3ncccc3C(=O)O)c2n1 1594382905 NRMHRFPJBPLBLT-UHFFFAOYSA-N 307.309 2.889 0 40 DFAB CNCCC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 15424024 WIBLZIMBDFCVRG-UHFFFAOYSA-N 322.449 2.534 0 40 DFAB C[C@@H](Cc1ccccn1)NC(=O)C[C@H](C)n1nnc2ccccc21 19457034 NTCGEPRWUIKTKJ-KBPBESRZSA-N 323.400 2.525 0 40 DFAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4504400 FNQHMMKFUYQZPA-OAHLLOKOSA-N 323.458 2.633 0 40 DFAB CCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1 50081008 SERDRLWKVJYRAH-OAHLLOKOSA-N 322.474 2.845 0 40 DFAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 12180573 RFKYPQOHQZAELZ-UHFFFAOYSA-N 310.419 2.526 0 40 DFAB CC(=O)N(CCn1cccn1)c1nc2c(F)cccc2s1 22604415 KDIPGEVJKPRZRO-UHFFFAOYSA-N 304.350 2.685 0 40 DFAB Cc1ncsc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974854 TWGLCSWSVXONSF-UHFFFAOYSA-N 312.398 2.807 0 40 DFAB O=C(NC[C@]1(O)C=CCCC1)c1ccccc1Br 606440322 CXAQCXCNKJQGEP-AWEZNQCLSA-N 310.191 2.650 0 40 DFAB CCn1ccc(=O)nc1SCc1csc([C@H](C)OC)n1 96447725 BKVRYVCHQDBCPL-VIFPVBQESA-N 311.432 2.719 0 40 DFAB COc1ccccc1N1CCN(c2ccnc(C(C)C)n2)CC1 106461765 VCULURDTQOOLRJ-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB COC(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 40082728 JJRRYXBYURTUKY-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB COc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1 30447781 VBGRNSBIGPOABE-UHFFFAOYSA-N 302.399 2.984 0 40 DFAB CCc1ccc([C@H](C)NC(=O)CN2CCOCC2(C)C)cc1 40158290 ZTTLTAGRQRHCGB-AWEZNQCLSA-N 304.434 2.537 0 40 DFAB C[C@H](c1nc(C(C)(C)C)no1)n1nnc(-c2cccc(F)c2)n1 31737127 ZKCRVVLPNPIWSZ-SECBINFHSA-N 316.340 2.769 0 40 DFAB Cc1nnc(SCC(=O)c2cc3c(cc2Cl)NC(=O)C3)o1 32074426 KGAPPYHVPYZNNS-UHFFFAOYSA-N 323.761 2.501 0 40 DFAB CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC2)C1 20677771 YWUGHYFLDMRLTP-UHFFFAOYSA-N 312.417 2.999 0 40 DFAB O=c1c(NCc2ccco2)c(NCc2ccccc2Cl)c1=O 101701066 JQXKVYNVOILSGS-UHFFFAOYSA-N 316.744 2.753 0 40 DFAB COC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 32810883 SMDDLQUCDBOSPC-UHFFFAOYSA-N 302.296 2.891 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC(C)C 32802119 UBRYNSDTMFIZAC-UHFFFAOYSA-N 300.406 2.944 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1cnc2ccccc2c1)C1CCCC1 32900713 NIWPWXVAHHJSSV-QGZVFWFLSA-N 311.385 2.868 0 40 DFAB CC[C@@](C)(NC(=O)Cc1cccs1)C(=O)NC1CCCC1 246434 PAJUVXJQQBOBAG-MRXNPFEDSA-N 308.447 2.634 0 40 DFAB CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 421987 IVPPAMDQDRRQIH-UHFFFAOYSA-N 322.415 2.611 0 40 DFAB COc1ccc(-c2nnc(-c3ccc(F)cc3N)nc2O)cc1 69982224 XGZWENSXHMQNCI-UHFFFAOYSA-N 312.304 2.641 0 40 DFAB CCN(Cc1ccc(OC)c(F)c1)c1ncnc2c1cnn2C 22011020 XMVBXYDWXHQZPH-UHFFFAOYSA-N 315.352 2.538 0 40 DFAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCCC1 1338189 PJGATZGICYHITR-UHFFFAOYSA-N 320.414 2.810 0 40 DFAB Cc1ccccc1N(C(=O)CC1(CS(C)(=O)=O)CC1)C(C)C 78985635 YKKSIDCBYHVTLM-UHFFFAOYSA-N 323.458 2.951 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)on1 53401304 HNGVCXCSXMCNHQ-OAHLLOKOSA-N 312.369 2.824 0 40 DFAB CC(C)[C@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccccc1 22426271 AKZASVHCCYZNCJ-INIZCTEOSA-N 300.406 2.959 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)N1CCC[C@H]1c1ccccc1 22550927 VPXCGGQIDLPUAH-SFHVURJKSA-N 322.408 2.709 0 40 DFAB O=C(NCCCN1CCCCCC1=O)c1cc(Cl)ccc1O 22620118 CIOLKFVHBZNBKI-UHFFFAOYSA-N 324.808 2.568 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1F 7405754 UJJDDEJVQVNXGT-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1sc2ncnc(NCCNC(=O)c3ccco3)c2c1C 24207867 GUARNJCEQMISKQ-UHFFFAOYSA-N 316.386 2.743 0 40 DFAB Cc1cc(F)ccc1CN[C@@H]1CCCN(c2cccnn2)C1 105904978 IMOISKQAAQEXTE-MRXNPFEDSA-N 300.381 2.683 0 40 DFAB Cc1nc(CNC(=O)CCn2ncc3c(C)cccc32)cs1 57354929 GJUXQWNHKGXVEB-UHFFFAOYSA-N 314.414 2.816 0 40 DFAB CCCCCNC(=O)NCc1cc(OC)c(OC)cc1OC 25060220 GJTBWIANSHZQLQ-UHFFFAOYSA-N 310.394 2.702 0 40 DFAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 25002053 SYUHZXZVKINLRU-SNVBAGLBSA-N 316.386 2.726 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2ccccc2n1 25984594 DCGRPGAHDJUWGT-AWEZNQCLSA-N 320.348 2.805 0 40 DFAB CC[C@H]1CN(C(=O)NCc2ccccc2N2CCCC2)CCO1 56953713 JSXKYJJBSCMBGP-INIZCTEOSA-N 317.433 2.607 0 40 DFAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=N)oc12 57523809 SLCQBPCYMOPDQU-UHFFFAOYSA-N 309.325 2.877 0 40 DFAB CCOC(=O)c1sc2ncnc(N[C@H](C)COC)c2c1C 10028103 RXZAXJYNZGTTJM-MRVPVSSYSA-N 309.391 2.623 0 40 DFAB O=C(CSc1cccc[n+]1[O-])c1ccc(OC(F)F)cc1 3298114 UTTCGEOOJZMUKZ-UHFFFAOYSA-N 311.309 2.896 0 40 DFAB C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)C(=O)NC(C)(C)C 58278696 OJKBFBLCCDRPMN-GFCCVEGCSA-N 318.417 2.508 0 40 DFAB CCc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)[nH]n1 58280220 QFQYWGQSCPYJDR-UHFFFAOYSA-N 317.374 2.655 0 40 DFAB COc1ccc(CCC(=O)NC[C@@H]2CCCN(C(C)C)C2)cc1 58201676 VXMKUQZINNZGRL-KRWDZBQOSA-N 318.461 2.864 0 40 DFAB Cc1nn(C2CCCCC2)cc1C(=O)C1C(=O)CCCC1=O 103619388 IFJBKUZIGGFZNF-UHFFFAOYSA-N 302.374 2.818 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](O)CO[C@@H](C)c2ccccc2)s1 58210596 GJHDCXPIMAUCKS-DZGCQCFKSA-N 319.426 2.925 0 40 DFAB COc1c(Cl)cc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1Cl 62119064 GKKZNMOMQKCNJZ-SSDOTTSWSA-N 318.156 2.549 0 40 DFAB CC(=O)N[C@H](C)c1nc2ccccc2n1C[C@H](O)c1ccccc1 12755257 NJGDSKBLWHXCFO-ACJLOTCBSA-N 323.396 2.967 0 40 DFAB C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccn1 44909890 OPMWJCCSHNRSQR-JSGCOSHPSA-N 318.446 2.806 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)NCCCN1CCc2ccccc21 44969492 MMBBYBDZUFQJRP-UHFFFAOYSA-N 313.405 2.601 0 40 DFAB Cc1sc2nc(CSc3cccc[n+]3[O-])nc(N)c2c1C 10394023 LLDMUMCFJMDYPS-UHFFFAOYSA-N 318.427 2.816 0 40 DFAB CC(C)c1ccc(OCCC(=O)N[C@@H](C)c2nncn2C)cc1 58300538 RHKLGZXLVPQQHH-ZDUSSCGKSA-N 316.405 2.585 0 40 DFAB Cc1cc(N)ccc1NC(=O)c1cncc(Br)c1 20480818 ONVVTIUATSKVRJ-UHFFFAOYSA-N 306.163 2.987 0 40 DFAB Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)o1 3343176 UXXNXHGZMXFOET-UHFFFAOYSA-N 300.358 2.916 0 40 DFAB Cc1ccc(/C=C/C(=O)NCCc2nnc3ccccn23)c(C)c1 25466687 HASSDHCRPLXZEU-CMDGGOBGSA-N 320.396 2.718 0 40 DFAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc(Br)c[nH]1 37985827 BOFPTBIYXBAXLN-LLVKDONJSA-N 321.174 2.511 0 40 DFAB O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1 2491704 AHRBKBXOQPIVAV-UHFFFAOYSA-N 320.355 2.697 0 40 DFAB C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(C)(C)C1=O 12897663 HOFUXPVGRKTULA-LLVKDONJSA-N 316.401 2.886 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)NC)[C@H]1c1ccccc1OC 12800151 AMHMFUIOJLYKDG-WMLDXEAASA-N 318.417 2.521 0 40 DFAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(-n2cncn2)cc1 12894876 GOGACKZHIMRDMA-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB Cc1cccc(N2C[C@@H](c3noc(-c4ccncc4)n3)CC2=O)c1 49060358 LJGJXIJJFZKQAT-AWEZNQCLSA-N 320.352 2.961 0 40 DFAB Cc1cccc(SCC(=O)Nc2sccc2C(N)=O)c1 49373219 XCIQHKDVNIISTE-UHFFFAOYSA-N 306.412 2.886 0 40 DFAB COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 5286034 UZMBMPXUCQYFEJ-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cn1 65412542 GJGNGNHJSCRNIC-GFCCVEGCSA-N 319.361 2.891 0 40 DFAB O=C(COC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 4452458 YYBSMWYANGQWKM-UHFFFAOYSA-N 316.284 2.637 0 40 DFAB O=C(NCCc1ccco1)c1nn(-c2ccccc2)c2c1CCC2 14095641 GORSNANPRFVGDT-UHFFFAOYSA-N 321.380 2.927 0 40 DFAB Cc1ccccc1-c1nnn(CC(=O)N[C@@H](C)c2ccccc2)n1 6861266 UVYUCULOXBINNP-AWEZNQCLSA-N 321.384 2.526 0 40 DFAB COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)c(F)c1 7136775 AMKRQZXMDHIYQX-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB O=C([C@@H]1CCCO1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20731900 ACEJSRFSZKXLAN-HNNXBMFYSA-N 304.777 2.885 0 40 DFAB biogenic C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(N(C)C)cc1 8165200 JLYBDJICGATXLB-ZDUSSCGKSA-N 313.401 2.684 0 40 DFAB C[C@@H]1CCCN(C(=O)c2sccc2Br)[C@H]1CN 70175812 LRJDNMLBRKZQAF-SCZZXKLOSA-N 317.252 2.710 0 40 DFAB CCCc1noc([C@@H](C)N(C)Cc2ccc3c(c2)OCO3)n1 69456022 UMVBCQKMMLOEAF-LLVKDONJSA-N 303.362 2.944 0 40 DFAB Cc1noc(C)c1CC(=O)NCC1(c2ccc(F)cc2)CC1 69485633 PBZGRSNAEFMFKI-UHFFFAOYSA-N 302.349 2.821 0 40 DFAB Brc1ccc([C@H]2CN(Cc3ncc[nH]3)CCO2)cc1 69846696 WFTGHSHRCHAHFD-CYBMUJFWSA-N 322.206 2.746 0 40 DFAB C[C@H](OC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccn1 69808928 IAEKVKXURPUTRT-JTQLQIEISA-N 314.370 2.857 0 40 DFAB COc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1F 9883091 PIYPGLQBGSKRBL-UHFFFAOYSA-N 316.332 2.505 0 40 DFAB Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)O)cc1Br 97018570 SFPIMTANOXOYFB-SECBINFHSA-N 314.179 2.550 0 40 DFAB C[C@@H](C(=O)Nc1ncccn1)N1C[C@H](c2ccsc2)C[C@H]1C 72294871 GXLQJQVHDLMNBC-MBNYWOFBSA-N 316.430 2.743 0 40 DFAB COCc1cc(CNC(=O)Nc2ccncc2F)ccc1F 97135522 QPNNRNAETRCKGF-UHFFFAOYSA-N 307.300 2.828 0 40 DFAB Cn1c(C2CC2)nc2c1CCN(c1cnc3ccccc3n1)C2 84310974 NJJRUCYNYHFHCH-UHFFFAOYSA-N 305.385 2.803 0 40 DFAB CCCc1nnc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)s1 84759085 YVXFVIJTVQGWMR-UWVGGRQHSA-N 324.406 2.717 0 40 DFAB CC(C)c1cccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n1 95451593 PFSPQEBTECREMA-KRWDZBQOSA-N 323.396 2.868 0 40 DFAB O=C1Nc2ccccc2S(=O)(=O)N1CCc1cccs1 95408519 VONOBZDAKLBXKD-UHFFFAOYSA-N 308.384 2.527 0 40 DFAB COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)SC)cc1 95456461 VOYFIUSETZWEKJ-CJNGLKHVSA-N 322.474 2.700 0 40 DFAB CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccnc(C)n1 95465843 VLQHUOZZOXBAGM-MEBBXXQBSA-N 319.792 2.944 0 40 DFAB COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)CSC)[nH]n2)cc1 95421541 IYBRSULZEFDZBO-NSHDSACASA-N 319.430 2.909 0 40 DFAB COc1ccc([C@@H]2Sc3ccccc3N[C@H](O)[C@@H]2O)cc1 85210624 CXRVOVGVPBFWLJ-OWCLPIDISA-N 303.383 2.633 0 40 DFAB C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1 95990382 RPNKDPVNXGNGKQ-YPMHNXCESA-N 313.344 2.538 0 40 DFAB C[C@H](NC(=O)NCCc1csc2ccccc12)c1nc[nH]n1 95996167 DXEICNOVBFMJLL-JTQLQIEISA-N 315.402 2.622 0 40 DFAB CCc1csc(NC(=O)N2CCc3ccccc3[C@@H]2CO)n1 89289695 ZTKZLYYSIFTMII-AWEZNQCLSA-N 317.414 2.829 0 40 DFAB COCC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn21 306143287 XXVNBZLTOPJVAB-NNTXTVRGSA-N 317.414 2.578 0 40 DFAB Cc1csc(N2CCN(C(=O)c3sccc3C)CC2)n1 27820738 GPAFQWJFJPTXIH-UHFFFAOYSA-N 307.444 2.784 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1ccc(F)cc1Cl 77659248 XYBRCXFOYXBJAO-SECBINFHSA-N 306.790 2.715 0 40 DFAB C[C@H](NC(=O)[C@H]1COc2cc(C=O)ccc2O1)c1ccccc1 33996356 WHFUKABJXKKWHS-YVEFUNNKSA-N 311.337 2.516 0 40 DFAB CN1CCCC[C@]1(C)C(=O)N1CCC(c2ccccn2)CC1 72367320 QXFNMDQBIBQOIO-GOSISDBHSA-N 301.434 2.662 0 40 DFAB CCOc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)cc1OC 72324460 FRBLNVBKHLGKHH-HOCLYGCPSA-N 304.434 2.762 0 40 DFAB Cc1c(Br)c(C(=O)N[C@H](C)c2ccccc2)nn1C 32648439 CNBXGKKAPCGOIJ-SECBINFHSA-N 322.206 2.982 0 40 DFAB COc1cc2c(cc1OC)/C(=C\c1ccccc1N)C(=O)OC2 31829632 NFKJEGSFERZUAD-VGOFMYFVSA-N 311.337 2.883 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cc(Cl)ncn1 72203416 HPDDQOXKAUIYMZ-JTQLQIEISA-N 312.801 2.941 0 40 DFAB COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 47582698 OXBMIAJZVOIMRT-UHFFFAOYSA-N 318.358 2.917 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)Cc2cc(C)no2)c1 330153357 XDMQLRHIRSSQMB-MRXNPFEDSA-N 320.414 2.958 0 40 DFAB CCOc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 96098511 ODNMDMJRVUIAMP-UHFFFAOYSA-N 314.389 2.810 0 40 DFAB C[C@H](Nc1ccn(Cc2ccccn2)n1)c1nc(C2CC2)no1 95409836 KSRSTJLWZYDDOM-NSHDSACASA-N 310.361 2.760 0 40 DFAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)N1 96069668 LLSLWESIPLCQEA-HNNXBMFYSA-N 324.380 2.558 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)N[C@@H](C)c1ccccn1 96437621 OSWXWJAYOVDMEK-KBPBESRZSA-N 300.406 2.802 0 40 DFAB Cc1cccc(C(C)(C)NC(=O)CCOC[C@H]2CCCO2)c1 96412123 UEJUWXBWINPVKP-MRXNPFEDSA-N 305.418 2.932 0 40 DFAB Oc1cc([C@@H]2CCCCN2CCC(F)(F)F)nc2ccnn12 257324766 WQBIKHOBDGVCFA-NSHDSACASA-N 314.311 2.914 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2cccnc2C)nc(C)n1 257236790 HDUPIGKXHXPIGA-OAHLLOKOSA-N 311.389 2.507 0 40 DFAB C[C@](O)(CNC(=O)C1CCC1)c1ccccc1Br 252499792 SEKGWGRQTICRIX-AWEZNQCLSA-N 312.207 2.573 0 40 DFAB Cc1ccc(CN2CCC(c3ccn4nccc4n3)CC2)cn1 257250740 JNVUORJIYTYQMT-UHFFFAOYSA-N 307.401 2.812 0 40 DFAB Cc1cc(NC(=O)c2ccnc(OC3CCOCC3)c2)sn1 253405541 SPLJYKKUWUEHSI-UHFFFAOYSA-N 319.386 2.657 0 40 DFAB O=C(c1cnccn1)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257330887 XQKOVWMEJHCHRT-NJAFHUGGSA-N 322.412 2.575 0 40 DFAB CC(=O)c1cc(NC(=O)NC2CCC(C(=O)O)CC2)ccc1F 262986347 CUCLKMKAWLPMAJ-UHFFFAOYSA-N 322.336 2.793 0 40 DFAB Cc1cccc(Cn2cnc(N3Cc4ccccc4C3=O)n2)c1 96118968 YWYPUGPGDFKDDE-UHFFFAOYSA-N 304.353 2.795 0 40 DFAB COc1ccc(C(=O)NCc2ccoc2)cc1Br 45783905 PQIOMEJCWWFIKD-UHFFFAOYSA-N 310.147 2.981 0 40 DFAB CC[C@@H](C)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C 55598357 WZUIPDXGZIOCBB-UKRRQHHQSA-N 320.433 2.767 0 40 DFAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccco2)cc1 48909856 JSKUNEIYLDZDEG-GFCCVEGCSA-N 300.358 2.738 0 40 DFAB CCOC(=O)CN(C(=O)c1cc(Cl)ccc1OC)C(C)C 38013089 KKYPZEVODLLADK-UHFFFAOYSA-N 313.781 2.762 0 40 DFAB C[S@](=O)Cc1ccccc1NC(=O)NCCc1cccs1 97140997 IPXBEUBLGYOASW-OAQYLSRUSA-N 322.455 2.991 0 40 DFAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@H]1CCCC[C@H]1C 6012372 YRVUYMPRNKRDFL-YJQVIICOSA-N 305.374 2.919 0 40 DFAB CN1C[C@@H](CN2CCCCCC2)[C@H](O)[C@H](c2ccccc2)C1 5699191 KLSHAXBXEWJRGO-FHWLQOOXSA-N 302.462 2.569 0 40 DFAB COC(=O)c1ccc(COC(=O)c2cn3c(C)cccc3n2)cc1 5983142 SXKSEVSOYWTOGL-UHFFFAOYSA-N 324.336 2.786 0 40 DFAB COc1cccc(CNc2c3c(nc4ncnn24)CCCC3)c1 15786705 YJTQYSMOVNBOGY-UHFFFAOYSA-N 309.373 2.624 0 40 DFAB OCCNC(=S)c1nc2ccccc2nc1-c1ccccc1 16492021 IWTWZRFAXSBERT-UHFFFAOYSA-N 309.394 2.554 0 40 DFAB O=C(Cn1ccc2ccccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 101638681 LOPLYAKRJOOLLI-OTVXOJSOSA-N 314.385 2.649 0 40 DFAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(N)c1 226347777 RCRIURZIMWLJLT-UHFFFAOYSA-N 314.341 2.691 0 40 DFAB Cc1ccc([C@H]2COCCN2Cc2ccccc2C(=O)O)o1 521258100 SYJCOBCXOVMJCK-OAHLLOKOSA-N 301.342 2.860 0 40 DFAB O=C(Cc1ccsc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828304 QAHULNMLYTUFHW-AWEZNQCLSA-N 305.403 2.695 0 40 DFAB CSc1nccc(N2CCN(c3ccccc3F)CC2)n1 1889119623 HQNZUBHQNREEQL-UHFFFAOYSA-N 304.394 2.664 0 40 DFAB O=C(NCc1ccnc([C@H]2CCCO2)n1)c1ccc2c(c1)CCC2 1848356853 IQVSIZVVKWLGTQ-QGZVFWFLSA-N 323.396 2.747 0 40 DFAB COc1cc2nc(NC(=O)c3ccncc3)sc2cc1OC 21558952 YKLZNVRBELQDOJ-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB O=C(c1ccco1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238866335 LVXJYCSSZRZAES-UONOGXRCSA-N 309.325 2.686 0 40 DFAB COc1c(C)cnc(CNC(=O)COc2ccccc2F)c1C 50449182 GCISSPJFKNLUQC-UHFFFAOYSA-N 318.348 2.541 0 40 DFAB COc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)c(O)c1 138882 LDAUZUBMEUMUCO-UHFFFAOYSA-N 300.310 2.597 0 40 DFAB biogenic COc1cc(OC)c([C@@H]2CC(O)=Nc3n[nH]cc32)cc1OC 20714419 WIONYSIKWFLEKB-QMMMGPOBSA-N 303.318 2.559 0 40 DFAB COc1cc(S(=O)(=O)Oc2ccccc2)c(OC)cc1C 32602198 LHTJOQBNORTWIK-UHFFFAOYSA-N 308.355 2.780 0 40 DFAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 33156239 MFYVQVJWOPOXGB-UHFFFAOYSA-N 321.336 2.954 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)cc1 260559 MBEIKBZQGWHCJR-HNNXBMFYSA-N 320.389 2.891 0 40 DFAB biogenic Cc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)o1 356164 TUEPACOBNCHEAH-NOZJJQNGSA-N 316.279 2.841 0 40 DFAB O[C@@H](CCNc1ncnc2cc(F)c(F)cc12)C(F)(F)F 76063025 LOLZLDXFZHNPAY-JTQLQIEISA-N 307.222 2.633 0 40 DFAB CC(=O)O[C@@H]1c2ccccc2C(=O)[C@]1(OC(C)=O)c1ccccc1 1578996 PFJGBIQOZIDXTR-RTBURBONSA-N 324.332 2.946 0 40 DFAB Nc1nccnc1C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 78727097 WRLPOPOOAWNQJU-CABCVRRESA-N 310.401 2.590 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)NCc2ccc(C)s2)o1 78940155 FUNRSUTUJIUNME-OAHLLOKOSA-N 308.403 2.665 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(NC(=O)C3CC3)CC2)C1(C)C 42003787 LNAPCWVNPBCIBH-HOTGVXAUSA-N 318.461 2.742 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 990532 HACGAUBPDCHCOP-DHMWGJHJSA-N 301.342 2.575 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)Cc1coc2cc(C)ccc12 95445648 UBPMSYYMEBKDFG-XHDPSFHLSA-N 307.415 2.512 0 40 DFAB CC1(C)CC(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC(C)(C)N1 103332962 LMFZXVRFXAOBQA-BZPMIXESSA-N 309.523 2.948 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)/N=c1/sccn1C 24785203 WFPODUJIAUHLDI-OBGWFSINSA-N 303.362 2.685 0 40 DFAB COC(=O)c1ccc(N[C@@H](C)Cc2c(C)nn(C)c2C)nc1C 95453298 FAGLGIYXXJFQNE-JTQLQIEISA-N 316.405 2.570 0 40 DFAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OC)CC(=O)N2 61717518 SQNUXBYEMDOTBB-VIFPVBQESA-N 319.386 2.676 0 40 DFAB CCO[C@@H](CC)C(=O)NCC1(c2cccc(F)c2)CCOCC1 57265134 YGFAELAPGNYDOX-INIZCTEOSA-N 323.408 2.805 0 40 DFAB Cc1c(C(=O)NC2=NCCS2)oc2c1C(=O)CC(C)(C)C2 44260726 WIXRRLYKKBQROL-UHFFFAOYSA-N 306.387 2.576 0 40 DFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 100133337 ADKFVONVCIXICR-WBMJQRKESA-N 307.415 2.824 0 40 DFAB in-vitro CCS[C@@H]1CC[C@]1(O)CN[C@H](C)c1nc2ccccc2n1C 108373374 PASFVTSDMHYQOQ-VMGRFDJRSA-N 319.474 2.871 0 40 DFAB CN(Cc1ccsc1)C(=O)NC[C@@H](c1ccco1)N(C)C 44891198 ICKBVWWNEFKUKV-ZDUSSCGKSA-N 307.419 2.785 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H]2CCCN(C(C)C)C2)cc1 58281868 MYXDZKAFBPGUFN-HNNXBMFYSA-N 304.434 2.936 0 40 DFAB CC(=O)NCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 73134498 BNDSUGQDHYOJEQ-UHFFFAOYSA-N 318.373 2.583 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 48020564 YXCQDAPGTCUFDS-GFCCVEGCSA-N 306.362 2.506 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100395593 QZIGTFQURZURKZ-SUMCQTLJSA-N 322.408 2.672 0 40 DFAB C[C@@](CC(=O)NCc1cccs1)(C(=O)O)c1ccccc1 29010250 BKGUYGJWHCTJEN-INIZCTEOSA-N 303.383 2.797 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCCO1 45811454 WQLXBYQEAZNSLD-MWLCHTKSSA-N 323.336 2.551 0 40 DFAB O=C(O)CCCC(=O)c1ccccc1I 2579879 SOXUCLXJBYUZNH-UHFFFAOYSA-N 318.110 2.729 0 40 DFAB O=C(CSc1nnc(NCc2ccccc2)s1)NC1CC1 3477350 UMVSVUSLDHDLME-UHFFFAOYSA-N 320.443 2.521 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1cccnc1Cl 3425180 AHMAPFOSWOKNCW-UHFFFAOYSA-N 322.723 2.599 0 40 DFAB O=C(Nc1cc(F)cc(N2CCCC2)c1)N[C@@H](CCO)C1CC1 72295070 WTUXCGGWAGAGAN-INIZCTEOSA-N 321.396 2.708 0 40 DFAB COc1cccc(NC(=O)CN2CCC[C@H]2c2cc(C)on2)c1 13013884 VLDXOIKARPATTF-INIZCTEOSA-N 315.373 2.767 0 40 DFAB Cc1ccccc1OCC(=O)N[C@H](CC(=O)O)c1cccs1 13389394 GOKCHQORWYNPPK-GFCCVEGCSA-N 319.382 2.768 0 40 DFAB CC(C)c1ccc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 97138830 KQTSGGIZSDLHDA-GHMZBOCLSA-N 316.444 2.994 0 40 DFAB O=C(NCc1ccccc1)c1[nH]c(=S)[nH]c1Br 6061267 IUDLEFXSTRDKJA-UHFFFAOYSA-N 312.192 2.765 0 40 DFAB CCn1nc(C)cc1NC(=O)c1cccc(Cn2cccn2)c1 28246322 MYBRBLJSQKIQFO-UHFFFAOYSA-N 309.373 2.709 0 40 DFAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC1CC1 6231816 KZUJDTZQURQZFL-UHFFFAOYSA-N 310.353 2.596 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H](n2cccn2)C1 65593664 LVSBARNMPBEGME-GOSISDBHSA-N 309.413 2.778 0 40 DFAB COC(=O)[C@@H](CCSC)NC(=O)Nc1cccc(C)c1C 6451093 DHUMFZMFKBOQIE-CYBMUJFWSA-N 310.419 2.720 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)C2(CCCCC2)O1 5447854 XHYDMILVZVIZTL-CYBMUJFWSA-N 317.341 2.589 0 40 DFAB CCN(C(=O)COC(=O)c1ccnc(Cl)c1)c1ccccc1 72330802 HQJXCQNHBKVUDQ-UHFFFAOYSA-N 318.760 2.945 0 40 DFAB C[C@H](C(=O)Nc1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 96009656 SHIVWNRDLPMHCR-BBRMVZONSA-N 312.369 2.992 0 40 DFAB C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)[C@H](O)Cc1ccccc1 96004362 WILNOXUPIZQJKD-VICKLXILSA-N 311.381 2.514 0 40 DFAB Nc1nccnc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96004222 HIOGJOPUHSDMDJ-UHFFFAOYSA-N 314.679 2.566 0 40 DFAB COc1ccccc1OCCNC(=O)NCc1ccc(C)cc1 14706768 YVLPWYMTNWBGMX-UHFFFAOYSA-N 314.385 2.882 0 40 DFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2[nH]ccc2c1 97212415 VNAJGSDGLGYDCH-KRWDZBQOSA-N 320.348 2.820 0 40 DFAB NC(=O)C1CCC(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 66634806 KJXFSZUYMKKQRR-UHFFFAOYSA-N 319.792 2.595 0 40 DFAB Cc1noc(CCCNC(=O)[C@H]2C[C@H]2c2ccc(C)s2)n1 66716435 ILVQWYFSFBOYDI-NEPJUHHUSA-N 305.403 2.600 0 40 DFAB Cc1oc(C)c(C(=O)NCCc2n[nH]c(=S)n2C2CC2)c1C 67093741 NOVZSFDOXSHHAK-UHFFFAOYSA-N 320.418 2.766 0 40 DFAB CCN(C(=O)Nc1ccccc1CC(=O)NC)[C@@H](C)C(C)C 67664166 BWKUEAXQWXWSQE-ZDUSSCGKSA-N 305.422 2.873 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)c1 7309610 BANOZTLEMXBPKM-CYBMUJFWSA-N 317.410 2.971 0 40 DFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc(F)c1 7513852 JKVPJYWZAFCRQL-UHFFFAOYSA-N 314.268 2.995 0 40 DFAB COc1ccc(CCC(=O)Nc2cc(C)ccn2)cc1OC 9466343 QBOTVMMVUZCAJY-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O 8288485 LIXRSIJYUHVPGI-INIZCTEOSA-N 311.337 2.569 0 40 DFAB O=C1C[C@@H](c2nc([C@@H]3CCOC3)no2)CN1C1CCCCCC1 84544041 IQABJSMEUPCHLQ-CHWSQXEVSA-N 319.405 2.612 0 40 DFAB CCn1ccnc1CN1CCN([C@H](C)c2ccccc2F)CC1 69453178 YVGDWFRIJRZPPK-OAHLLOKOSA-N 316.424 2.921 0 40 DFAB Cc1cccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)n1 69524855 GILFLUJYTGITET-UHFFFAOYSA-N 322.368 2.933 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 69532681 DQRMUTRMMKMUSM-OAHLLOKOSA-N 302.418 2.619 0 40 DFAB Cc1nn(-c2ccccc2)cc1C(=O)N1CCCSCC1 69515293 ABAVRTKUPNIMJK-UHFFFAOYSA-N 301.415 2.760 0 40 DFAB CC(C)S(=O)(=O)N(C)C(=O)CCc1ccc(Cl)s1 83779603 SMKLSFGMLYBFDW-UHFFFAOYSA-N 309.840 2.531 0 40 DFAB CCCc1nc(C)c(C(=O)NC[C@@H]2CCN(C3CC3)C2)s1 69979102 AWOWOHZOOUJUST-LBPRGKRZSA-N 307.463 2.618 0 40 DFAB Cc1ncc(CN(C)C(=O)[C@@H](C(C)C)N2CCCCC2)s1 69967115 UNCPWKQTCZUMLU-OAHLLOKOSA-N 309.479 2.920 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1Cn1cccn1 69925306 IMGLLDYGRCFOTM-INIZCTEOSA-N 322.412 2.988 0 40 DFAB O=C(Nc1cccc(-n2cccn2)c1)N[C@H](CO)c1ccccc1 71856983 MNYHYEFOKCXRHF-QGZVFWFLSA-N 322.368 2.727 0 40 DFAB Cc1cc([C@@H](C)C(=O)N2CCn3c(nnc3C(C)C)C2)c(C)o1 71864945 KKDWCTCGYODWAZ-GFCCVEGCSA-N 316.405 2.757 0 40 DFAB CCCCOc1ccc(C(=O)NC2CCC(O)CC2)cc1OC 8708142 KHVDYYQBFGPBLR-UHFFFAOYSA-N 321.417 2.907 0 40 DFAB CCCc1nc(CN2CCCC[C@@H]2Cn2cncn2)cs1 71878710 YKNGRSSJQQKDNP-CQSZACIVSA-N 305.451 2.742 0 40 DFAB Cc1nc(C)c(C(=O)N[C@@H](CC(=O)O)c2cccs2)s1 71892833 URQSMNWULVRUAA-VIFPVBQESA-N 310.400 2.767 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 95411394 YMYUUDOAFOXHEB-CVEARBPZSA-N 324.371 2.828 0 40 DFAB CC1(C)[C@@H](OC(=O)c2ccc(-n3ccnc3)cc2)[C@H]2CCO[C@H]21 97034320 FQOCGKCEYOAICD-XHSDSOJGSA-N 312.369 2.843 0 40 DFAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CC=CC1 97014792 RJJJVQOCBZZLGH-WCQYABFASA-N 324.421 2.582 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1Cl 97084170 QAPPGGDWZAQIKE-WDEREUQCSA-N 308.765 2.601 0 40 DFAB NC(=O)c1cccc(CCNCc2cc(F)cc3cccnc23)c1 95415461 IJVRPMFEHIHION-UHFFFAOYSA-N 323.371 2.805 0 40 DFAB CN(CC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C1CC1 95962488 CILBZEQPFBEKAA-ZDUSSCGKSA-N 304.287 2.640 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)N(C)Cc1cccc(F)c1 89568658 HRUCKPNSGXBTFO-UHFFFAOYSA-N 319.336 2.913 0 40 DFAB O=C(N1CC[C@H](N2CCCC2)C1)C1(c2cccc(F)c2)CCC1 89774796 UDXNALCUMKJIOM-KRWDZBQOSA-N 316.420 2.944 0 40 DFAB O=C(NCC(=O)N1CCCC1)[C@@H]1C[C@H]1c1cccc2ccccc12 89873195 XJSPBQBMRAWAEM-ZWKOTPCHSA-N 322.408 2.682 0 40 DFAB C[C@H]1CN(C(=O)NCCOCC(F)(F)F)[C@@H]1c1ccccc1 89930161 IHQLCPHPLWSYCA-AAEUAGOBSA-N 316.323 2.968 0 40 DFAB CCN(CCc1nccs1)C(=O)c1ccc2c(c1)CCO2 89969235 TZJMLZKMUBFEHP-UHFFFAOYSA-N 302.399 2.783 0 40 DFAB Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20143753 MKBFMCABGWHPQQ-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NCCC2CCCCC2)c1 408707824 RDFVPTCOYWWZMT-UHFFFAOYSA-N 302.418 2.698 0 40 DFAB Cn1ccnc1[C@H](NC[C@@H]1COC2(CCCCCC2)O1)C1CC1 128817326 ZLZNOMCUKUZXCM-HZPDHXFCSA-N 319.449 2.927 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1 34916222 YUEGUBDOWNMWSE-MRXNPFEDSA-N 308.381 2.664 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCc4c[nH]nc43)cc2)c1C 1553932640 YHGBCNTYTUAONW-MRXNPFEDSA-N 321.384 2.881 0 40 DFAB O=C(Nc1ccc(Cl)cc1)C1CCN(c2ncccn2)CC1 35290272 ACAVBQLERAFXFH-UHFFFAOYSA-N 316.792 2.985 0 40 DFAB CCn1nc(C)c(CCC(=O)NCc2ccccc2F)c1C 71195398 PAEDRROXHFBOHM-UHFFFAOYSA-N 303.381 2.908 0 40 DFAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cccnc1 77648328 KIKAOYIDBPQEQW-LBPRGKRZSA-N 311.168 2.852 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(C(=O)O)cc1 71281713 RHAATIJROBDCRX-LLVKDONJSA-N 315.329 2.579 0 40 DFAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 72378426 OMVDYNGMGYJMMT-INIZCTEOSA-N 319.368 2.640 0 40 DFAB COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224670436 GFZDXQFTTAPSJW-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1F 42645709 AVAABUBHPRRLHJ-UHFFFAOYSA-N 306.724 2.734 0 40 DFAB Cc1cccc(CNC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)n1 190084367 JCNMOBGXQYTZCU-HIFRSBDPSA-N 305.422 2.640 0 40 DFAB CCCNC(=O)Nc1ccccc1C(=O)NCc1cccnc1 225773901 JAFKQXAIVRUTKP-UHFFFAOYSA-N 312.373 2.543 0 40 DFAB C[C@H](Oc1nn(C)c2ccccc12)C(=O)N1CCC[C@@H](C)C1 226755073 ZACLJXKWRADWBE-OLZOCXBDSA-N 301.390 2.599 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCCCO2)CC1 130257493 HATSDNFQIODLSE-DZGCQCFKSA-N 308.447 2.522 0 40 DFAB CCn1ccc2ccc(NC(=O)NC[C@H](C)C(=O)OC)cc21 86298053 NINPXEQATKQQCQ-NSHDSACASA-N 303.362 2.592 0 40 DFAB C1COC(Cc2nc(C34CC5CC(CC(C5)C3)C4)no2)OC1 193153278 RJPJSLBKQFLQND-UHFFFAOYSA-N 304.390 2.843 0 40 DFAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCC(C)C)n1 225892686 WSKAZQPHWOISDC-UHFFFAOYSA-N 321.494 2.964 0 40 DFAB CN(C(=O)c1nc2ccccc2nc1C1CC1)C1CCOCC1 577468141 HVYJYDFTWHYDBG-UHFFFAOYSA-N 311.385 2.758 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NC[C@H](Nc1ccccc1)C(C)C 96462501 HIUNFEIBMHRZIZ-INIZCTEOSA-N 314.433 2.903 0 40 DFAB CCc1ccc([C@H](COC)NC(=O)/C=C/c2cccnc2)o1 96423246 LNDLRCKELDMTHM-PPYMECGQSA-N 300.358 2.754 0 40 DFAB NC(=O)N1CCC[C@H]1COC(=O)c1cc2ccccc2s1 96442153 NXJWVZSNPQVFJE-NSHDSACASA-N 304.371 2.601 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)NCc1cccn1C 95404486 CZTBHAAWCPBJJQ-UHFFFAOYSA-N 301.390 2.812 0 40 DFAB c1coc(CN2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)c1 96046059 GYIKSXBKEBXASB-NWANDNLSSA-N 315.373 2.892 0 40 DFAB c1ccc(O[C@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)nc1 96107347 FJUMOOGENRTERE-AEFFLSMTSA-N 314.385 2.877 0 40 DFAB Cc1nn(C)c(C)c1CN[C@@H](C)C[C@@H](O)c1ccc(F)cc1 96486368 NFSAHMCCAAULCG-APPDUMDISA-N 305.397 2.778 0 40 DFAB CCCn1ccc(C(=O)N2CCC[C@H]2CCc2ccncc2)n1 257297890 RJFNPNQNMHYFSJ-INIZCTEOSA-N 312.417 2.926 0 40 DFAB CCCCc1nc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c[nH]1 257272681 NDKIAVRHSYLOPX-RDJZCZTQSA-N 307.438 2.522 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257270975 MWJVXGHNNSBPLZ-QZTJIDSGSA-N 313.445 2.951 0 40 DFAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccnc(O)n2)C1 257266387 MCUDJIMJTPZWRK-ZDUSSCGKSA-N 322.368 2.683 0 40 DFAB CO[C@H]1CCCN(c2ccc(NC(=O)c3cccnc3)cc2)C1 96122417 AHGUATHBKIJMNR-KRWDZBQOSA-N 311.385 2.949 0 40 DFAB Cc1ccc(C[C@@H]2CN(C(=O)c3ccncc3C)CC[C@H]2O)cc1 585279137 VHZXBXZJLOEPEE-IEBWSBKVSA-N 324.424 2.764 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)n[nH]2)c1 54287007 NHPPABFWVOIPGR-HNNXBMFYSA-N 315.373 2.713 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccnc(-n2cccn2)c1 105147377 CUYQOIFRDGZYHT-BPUTZDHNSA-N 310.401 2.710 0 40 DFAB O=C(NCc1cccs1)c1ccc(-c2ccco2)[nH]c1=O 75124787 SHVZNFOXXCMVJM-UHFFFAOYSA-N 300.339 2.626 0 40 DFAB CCC1(CC)[C@@H](N(C)c2ncnc3nc(N)ccc23)C[C@H]1OC 90112851 FOKMTMWHWKEZIY-QWHCGFSZSA-N 315.421 2.637 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C 76962273 ZGHDRWNLXGJYDY-AEGPPILISA-N 302.418 2.518 0 40 DFAB CCc1nn(C)cc1NC(=O)c1nc(C(C)C)ncc1Cl 91164455 LFLCORLNEOSRBS-UHFFFAOYSA-N 307.785 2.802 0 40 DFAB Cn1cc([C@]2(C)CN(Cc3cccc4[nH]ccc34)CCO2)cn1 92017298 PORWBPISODPGPG-SFHVURJKSA-N 310.401 2.649 0 40 DFAB CCOC(=O)NC(=O)CSc1nc(C)c(C)n1CC(C)C 5262877 FRBIKEKQUWUOKN-UHFFFAOYSA-N 313.423 2.521 0 40 DFAB COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)c1 5029321 IQOMJUHQLDQEBC-MRXNPFEDSA-N 312.325 2.533 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1 11596444 WNPCQTXIXCYIBP-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2F)c1 13084510 UYTSBORATFFHDE-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB CC1CCN(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 13647191 JPMHKTNAHOTBPT-HNNXBMFYSA-N 322.424 2.831 0 40 DFAB CC(=O)N1NC(=O)c2ccccc2N=C1c1ccc(Cl)cc1 17052589 SFZPZKYOOGDHEF-UHFFFAOYSA-N 313.744 2.925 0 40 DFAB CN(C)CC[C@H](c1ccccc1)n1cncc1-c1cnn(C)c1 19719485 QMYYBMMWRITQNS-QGZVFWFLSA-N 309.417 2.825 0 40 DFAB Cc1cc(C)cc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 4504376 SMXORKZEGVTQBL-MRXNPFEDSA-N 323.458 2.589 0 40 DFAB CO[C@H]1CCCN(Cc2cn(C)cn2)[C@H]1Cc1cccc(F)c1 643914641 UOMOAPFKSYAMQX-ROUUACIJSA-N 317.408 2.781 0 40 DFAB CC(C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 15267066 MDJLJZMCSLEUDD-UHFFFAOYSA-N 307.353 2.524 0 40 DFAB C[C@@H]1Cc2ccc3c(c2[C@@H](O)C1)C(=O)c1cccc(O)c1[C@@H]3O 31158814 FDVOVSCQDWKKHH-XQMFHTHTSA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2[C@@H]3O)C1 31158905 UMGQYHQGKBYIAJ-NIVTXAMTSA-N 308.333 2.783 0 40 DFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)O 13348672 HCVIXCQTGAVWTJ-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB CCN(Cc1csc(C)n1)[C@@H]1CCOC2(CCN(C)CC2)C1 2037846398 QCAZYOMJEMTAAR-MRXNPFEDSA-N 323.506 2.917 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223748 DGAGMACJHTYOOK-UONOGXRCSA-N 308.491 2.605 0 40 DFAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccco3)o2)c1 4276123 VLRXKFKUNCXGLV-UHFFFAOYSA-N 315.285 2.599 0 40 DFAB Cc1cc(N2CCC[C@H](COc3nccs3)C2)nc(C)n1 2298182818 LOAMYGPXXBETLF-ZDUSSCGKSA-N 304.419 2.845 0 40 DFAB c1cnc(OC[C@H]2CCCN(c3nccc4occc34)C2)cn1 2298215376 YYFFFLOJPGCSBM-ZDUSSCGKSA-N 310.357 2.913 0 40 DFAB C[C@@H](O)COc1ccc(Cc2ccc(OC[C@@H](C)O)cc2)cc1 33986125 BUTHHJITGFIWHH-HUUCEWRRSA-N 316.397 2.797 0 40 DFAB COCCOC(=O)c1[nH]c(C)c(C(=O)c2ccccc2)c1C 55104191 QKMODIPAWAKFBV-UHFFFAOYSA-N 301.342 2.666 0 40 DFAB CCOC(=O)c1ccc(N2Cc3ccccc3OCC2=O)cc1 67323735 WXZKAGCDJBREKV-UHFFFAOYSA-N 311.337 2.789 0 40 DFAB CCN(CC(=O)NC)C(=O)c1ccc(C2CCCCC2)cc1 40118822 DZUQYVGRYXPQSE-UHFFFAOYSA-N 302.418 2.942 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2CCn2cccn2)c1 40556365 NDGYNCSYFYLDRM-MRXNPFEDSA-N 301.390 2.737 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)N(C)C1CCCCC1 384621 JWPNUYXGEOTICP-UHFFFAOYSA-N 301.383 2.788 0 40 DFAB CCCN(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 102028949 FQWRISGTOIFSDK-CYBMUJFWSA-N 313.442 2.685 0 40 DFAB CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102681571 AXZPONYXQRJBMO-COPLHBTASA-N 323.389 2.521 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@@H]1CCOC1 41333961 HSAGABUOUOIZMJ-JSGCOSHPSA-N 306.406 2.937 0 40 DFAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 530037 WGFVSQABQGSYIT-OPAMFIHVSA-N 320.329 2.779 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 575868 XFQGISRXDCYNDW-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB O=C1Nc2ccccc2/C1=C\c1ccc(-n2cncn2)c(F)c1 41873493 QFBKERJTDAHGPJ-NTUHNPAUSA-N 306.300 2.899 0 40 DFAB CC(=O)N[C@@H]1C(=O)N(CCOc2cccc(C)c2)c2ccccc21 4993110 YKFRXPGDYNFCFR-SFHVURJKSA-N 324.380 2.598 0 40 DFAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 6502375 OPVIGLLLCMPCAF-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCN1CCN(c2ccccc2NC(=O)C2CCCC2)CC1 7268338 DYHSNTRSBLRACF-UHFFFAOYSA-N 301.434 2.957 0 40 DFAB COC(=O)C1(NC(=O)[C@]2(C)CC2(Cl)Cl)CCCCCC1 23056397 BHNACORIZCCCAQ-LBPRGKRZSA-N 322.232 2.953 0 40 DFAB Cc1noc(C2CCN(C(=O)c3cc4ccccc4n3C)CC2)n1 54135369 FSXCWDQFWKPQMN-UHFFFAOYSA-N 324.384 2.890 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCn1c(=O)n(C)c2ccccc21 23679913 KYGZZGISCSNLDH-AWEZNQCLSA-N 315.417 2.521 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9236873 YAVAVLAGHIVIEV-WOSRLPQWSA-N 318.392 2.874 0 40 DFAB CCOC(=O)n1c(=O)n(Cc2cccc(F)c2)c2ccccc21 1397817 FYCGQXKYDSAHRR-UHFFFAOYSA-N 314.316 2.995 0 40 DFAB O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1cccs1 1393997 IQZCIDVDBQQUDN-SECBINFHSA-N 314.409 2.885 0 40 DFAB COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 1358470 UVMVBNHLAARAQG-UHFFFAOYSA-N 311.341 2.691 0 40 DFAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 25464243 HJAXUPFDPGZMEQ-GHMZBOCLSA-N 318.417 2.728 0 40 DFAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC2(CC1)OCCO2 56138993 YNVSQNJUPBLKJD-ZDUSSCGKSA-N 314.385 2.578 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1 12538917 YYMRJHWUUOXNBQ-BETUJISGSA-N 315.373 2.620 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)NCC1(N(C)C)CCCCC1 27579732 CAHANKABFPYGOX-CQSZACIVSA-N 322.424 2.974 0 40 DFAB CC(C)CN1CCc2c(nc3cc(C(C)(C)C)nn3c2O)C1 100482888 QNNWCRKOUAJOSJ-UHFFFAOYSA-N 302.422 2.747 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccnc1Cl 3245364 XCDHKFDSMVVCQF-GHMZBOCLSA-N 310.781 2.681 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(OCC3CC3)nc2)c(O)c1 58428262 REJMZSSKNVXTHX-UHFFFAOYSA-N 312.369 2.814 0 40 DFAB CCCCn1nc(C(=O)Nc2cccc3cccnc23)ccc1=O 12796026 DYGBYTJEENKILM-UHFFFAOYSA-N 322.368 2.844 0 40 DFAB Cc1cnc(C(=O)Nc2cc(C)nn2-c2ccccc2F)cn1 48367500 OQQKDIVADURFRA-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN(Cc3cnc(C)s3)C2)n1 69817795 JCIKCNRTQXWLHT-AWEZNQCLSA-N 305.451 2.572 0 40 DFAB O=C(NCc1cccs1)NC[C@@H]1COC2(CCCCC2)O1 38568867 FPHKJYDCMLGPTN-GFCCVEGCSA-N 310.419 2.623 0 40 DFAB CC(C)c1ocnc1CSc1nnnn1-c1ccc(O)cc1 92251633 PVCWCQURFJDZNH-UHFFFAOYSA-N 317.374 2.772 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C 13521153 XVLUYVFUBMGOJE-UHFFFAOYSA-N 317.370 2.681 0 40 DFAB Cn1nc(Br)c(Br)c1Br 39604212 CYKYJTKFRXVWRP-UHFFFAOYSA-N 318.794 2.708 0 40 DFAB O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 4318194 KRBDXAKTERRUFP-UHFFFAOYSA-N 301.729 2.948 0 40 DFAB CC(=O)N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 65552763 QKDKHBYKZSRPAE-UHFFFAOYSA-N 319.792 2.659 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](n2cccn2)C1 65609541 TXHZIGNCCMZSCI-CYBMUJFWSA-N 301.415 2.911 0 40 DFAB O=C(CCC(=O)Nc1cccnc1)NCCC1=CCCCC1 4600245 LCJNBSQMLPSOJK-UHFFFAOYSA-N 301.390 2.807 0 40 DFAB Cc1nnnn1-c1cc(NC(=O)CC2CCCC2)ccc1F 68688287 QMEMQJNVXLTTLN-UHFFFAOYSA-N 303.341 2.629 0 40 DFAB O=C(NCCc1ccco1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96118131 RDKRNGZTJLTNJS-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB Cc1cnc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cn1 24955312 HRQKFNSNGSGQGQ-UHFFFAOYSA-N 306.705 2.524 0 40 DFAB Cc1cnn(C[C@H]2CN(Cc3ccc(Cl)s3)CCO2)c1 69451565 ZYRKPNQUKVBMRI-GFCCVEGCSA-N 311.838 2.807 0 40 DFAB CCOc1ccc2nc(S[C@H](C)C(=O)NC3CC3)[nH]c2c1 9366318 XPHIJXCDRMCQRN-SECBINFHSA-N 305.403 2.721 0 40 DFAB CC(C)n1ccc(=O)nc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C 69583268 HMUZWQODINWRCR-STQMWFEESA-N 323.462 2.706 0 40 DFAB C[C@H](CN1CCCC1=O)NC(=O)[C@H](C)CCc1ccccc1F 96430648 KDGHVJGXHZQORZ-ZIAGYGMSSA-N 320.408 2.522 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 71803472 WBQCBTTXPULLFL-AWEZNQCLSA-N 313.357 2.548 0 40 DFAB CN(C)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cn1 97414745 FLQNHAZXTAPALN-UHFFFAOYSA-N 313.376 2.748 0 40 DFAB COC(=O)c1c(C)[nH]c(C2=NN=C(NC(C)(C)C)SC2)c1C 9884188 JYJWFGPBFQYOCM-UHFFFAOYSA-N 322.434 2.613 0 40 DFAB O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCOC1 97055884 QMJAAYJUJQQBST-RDDDGLTNSA-N 309.234 2.721 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)n1 72282464 PHVVOWXSUQOZFS-LLVKDONJSA-N 304.419 2.757 0 40 DFAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](n2cncn2)C1 72234739 YMSVZRLTBGKXNR-ZDUSSCGKSA-N 316.430 2.696 0 40 DFAB C[C@H](Cn1ccnc1)Nc1ncnc2c1cnn2-c1ccccc1 95369561 CUDZXCZUNRSHLN-CYBMUJFWSA-N 319.372 2.513 0 40 DFAB COC[C@H](NCC(=O)N1CCCc2ccccc21)c1ccco1 97110652 AHSXKDNTUGKGIY-HNNXBMFYSA-N 314.385 2.536 0 40 DFAB O=C(N[C@H]1CCO[C@]2(CCSC2)C1)N1CCc2ccccc21 95426806 ROGHFFMEGFWPEY-WMLDXEAASA-N 318.442 2.813 0 40 DFAB CCNC(=O)c1cccc(C)c1OCc1nnc(C(C)C)n1C 95462987 XFIZHTBYDYJUQC-UHFFFAOYSA-N 316.405 2.576 0 40 DFAB C[C@H](NCCc1ccccn1)c1ccc(S(C)(=O)=O)c(F)c1 95419146 ZFIIFEPEEJJNQT-LBPRGKRZSA-N 322.405 2.518 0 40 DFAB C[C@@H](C1CC1)N(C(=O)NC1CCC2(CC1)OCCO2)C1CC1 73631475 ZBBCSOJTIPTCBE-LBPRGKRZSA-N 308.422 2.645 0 40 DFAB CCn1cc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cn1 95949042 ZRJSOYBHYMERCJ-KRWDZBQOSA-N 324.384 2.806 0 40 DFAB O[C@H](CN[C@H]1CCSC1)COc1cccc(C(F)(F)F)c1 95967450 DIGYWEMYLFAITA-NWDGAFQWSA-N 321.364 2.540 0 40 DFAB O=C(COC(=O)C1(O)CCCCC1)c1ccc(Cl)s1 95948750 TWNMYWFRLCOELL-UHFFFAOYSA-N 302.779 2.823 0 40 DFAB CCN(CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984068 JWRZFFGGHYOJKG-IUODEOHRSA-N 321.469 2.603 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[C@@H](CN(C)C)C3)cc2o1 95943858 AUKWEFMSTFERDT-LBPRGKRZSA-N 302.378 2.552 0 40 DFAB O=C(NCC1(O)CCC1)N[C@H](c1ccccn1)C1CCCC1 74906875 MQAJGLVWRFXLNU-HNNXBMFYSA-N 303.406 2.527 0 40 DFAB CNc1cc(N2CCC[C@H]2CNCc2ccc(Cl)o2)ncn1 75132713 YCCZSRNZTUOYGR-NSHDSACASA-N 321.812 2.523 0 40 DFAB Cc1cc(Nc2cc(-c3ccccc3)nc3ncnn23)nn1C 89600865 JYSKUEOWZHFPFN-UHFFFAOYSA-N 305.345 2.577 0 40 DFAB CS[C@H](C)CNC(=O)c1cnn(C(C)C)c1C(F)(F)F 89893829 PHTUIJCDSOSBDR-MRVPVSSYSA-N 309.357 2.964 0 40 DFAB O=C(O)[C@@H]1CCC(=O)N(CCc2cccs2)[C@H]1c1ccco1 75584237 CQEBFVJGZLZDPY-IUODEOHRSA-N 319.382 2.948 0 40 DFAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H](C(N)=O)C(C)C)CC2 188135545 SRQUKTBFTROYCE-HOTGVXAUSA-N 317.433 2.606 0 40 DFAB O=C1CC[C@@H](c2nc(-c3cccnc3)no2)N1Cc1ccco1 72242485 UNOPGSLNIPAPAR-ZDUSSCGKSA-N 310.313 2.588 0 40 DFAB COc1ncc(C(=O)CCCNC(=O)OC(C)(C)C)cc1C 72217705 XRFPQSRNZIZASO-UHFFFAOYSA-N 308.378 2.886 0 40 DFAB Fc1ccc(-c2n[nH]cc2CN2CCCC3(C2)OCCO3)cc1 184722188 RZWYODCVMXATEA-UHFFFAOYSA-N 317.364 2.555 0 40 DFAB C[C@@H]1CCCN(CCNC(=O)c2cnccc2C(F)(F)F)C1 565179425 GBICIWWOONLKQJ-LLVKDONJSA-N 315.339 2.562 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350192 OGDIXAHVHSKMKS-USJZOSNVSA-N 308.466 2.558 0 40 DFAB O=C(c1nccc2ccccc12)N1CCN(Cc2ccco2)CC1 79297902 CGRUAKUHUUHCNS-UHFFFAOYSA-N 321.380 2.786 0 40 DFAB O=C(Cc1cccc(F)c1)N[C@@H]1CCCN(c2ccccn2)C1 130940726 RSBVBIBXRCSHQH-MRXNPFEDSA-N 313.376 2.548 0 40 DFAB CCO[C@@](C)(C(=O)Nc1ccc(OCCOC)cc1)C1CC1 225724392 BRWMSIPINGEROH-QGZVFWFLSA-N 307.390 2.856 0 40 DFAB CC(=O)c1ccc(CCNC(=O)NCc2ccccc2)s1 225675156 QPCPTGKFRAPVBV-UHFFFAOYSA-N 302.399 2.993 0 40 DFAB COc1ccc(F)c(C(=O)NC[C@@H]2Cc3ccccc32)c1OC 191755337 CORKRSMGXILFTO-LBPRGKRZSA-N 315.344 2.913 0 40 DFAB Cc1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C 223315003 HSLZHUBRWABATQ-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB C[C@H](CO)N[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 195553677 IBDFXKBOVGHMDY-DDTOSNHZSA-N 314.223 2.640 0 40 DFAB C[C@]1(CNC(=O)N[C@H]2CCOc3c(F)cccc32)CCCO1 195574879 VKJKKDFQDOEHNB-XJKSGUPXSA-N 308.353 2.518 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCC(C)CC2)nc1 223889181 DZRVLGSJECPXJY-UHFFFAOYSA-N 322.478 2.641 0 40 DFAB O=C(Cc1ccc(F)cc1)N(CC(F)(F)F)[C@@H]1CCCOC1 87390839 OLEHCZITLCGEBF-CYBMUJFWSA-N 319.298 2.938 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@](C)(O)c2ccsc2)cs1 80892023 IJHGFMXKWQNNEZ-XGACYXMMSA-N 308.428 2.550 0 40 DFAB Cn1ncnc1CNC(=O)Nc1cccc(Oc2ccccc2)c1 96434333 VVVYPRPRWAGWKE-UHFFFAOYSA-N 323.356 2.929 0 40 DFAB COCc1cnc2n1CCN(Cc1ccc(OC)cc1)[C@H]2C 96109525 NOBJURJLBTUROU-ZDUSSCGKSA-N 301.390 2.615 0 40 DFAB CC(C)[C@@H](C)CC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 96417182 UCHDVSXHOYHHPS-GXTWGEPZSA-N 316.401 2.513 0 40 DFAB O=C(NCc1cccc(CO)c1)[C@H]1C[C@H]1c1cccc(F)c1F 96436370 UWMYFNVEPOANHB-GJZGRUSLSA-N 317.335 2.877 0 40 DFAB CCOc1cc(C=O)c(Cl)cc1OCC(=O)NC(C)(C)C 95094980 JHHWAQMMEARUAG-UHFFFAOYSA-N 313.781 2.845 0 40 DFAB CCOc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1CO 257331212 XRUWYEBTZIDVNK-QGZVFWFLSA-N 313.401 2.705 0 40 DFAB C[C@@]1(O)CCN(Cc2cscn2)C[C@H]1Oc1cccc(F)c1 257213587 CIFFLEWDEBIZDO-HZPDHXFCSA-N 322.405 2.687 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)c3cccc(O)n3)C2)s1 257316554 VGBPCTNVAPPTNT-NSHDSACASA-N 303.387 2.572 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](N)[C@H]2O 253500230 ZUUSQEHYADUJAR-SJCJKJIISA-N 307.478 2.688 0 40 DFAB biogenic CN(C)c1nc([C@@H]2CCCN(c3cnccn3)C2)cn2cccc12 257325158 WRSFGFUILNJLDZ-CQSZACIVSA-N 322.416 2.574 0 40 DFAB COc1cccc(C[C@H]2CC3(CCN(C(C)=O)CC3)CO2)c1 257330522 XOTFDMRVKZJBFW-KRWDZBQOSA-N 303.402 2.655 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCCn2nc(C)cc2C)n1 257339925 ZDTTZUVRHPWVAP-OAHLLOKOSA-N 315.421 2.675 0 40 DFAB Cc1cnc(NC(=O)c2ccnc(OC3CCOCC3)c2)s1 253394097 ADVFAAODXZSAIV-UHFFFAOYSA-N 319.386 2.657 0 40 DFAB S=C(Nc1ccc2c(c1)OCCO2)N[C@H]1C[C@H]2CC[C@H]1C2 260658851 UEFKYSQXRIZFRP-GVXVVHGQSA-N 304.415 2.933 0 40 DFAB C=CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2ccccn2)n1 585291373 BPFCDXMZPBTGKZ-CQSZACIVSA-N 323.400 3.163 0 40 DFAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2ccncc2)C3)c1 585103815 DBFMQILGFVMAKL-MRXNPFEDSA-N 313.426 2.616 0 40 DFAB O=C(N1CCC2(CC1)OCCO2)C1(c2cccc(Cl)c2)CC1 24999022 LWERDLUYUNKYAX-UHFFFAOYSA-N 321.804 2.737 0 40 DFAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1CN1CCCC1 63813187 NUTIQSZFKJOVBG-MRXNPFEDSA-N 305.397 2.596 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccco2)n1 66081320 PSHIPVAQIBGGIY-LBPRGKRZSA-N 310.357 2.724 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c(F)c1 69415659 FACNDLWOFSWVNP-CYBMUJFWSA-N 317.364 2.817 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[C@@H]1CCCO1 71883306 HKXLHDYVTDAUCF-OWCLPIDISA-N 324.465 2.632 0 40 DFAB C[C@@H]1COCCN1C(=O)Cc1csc(-c2ccsc2)n1 46256290 BOMJNRGJORUNJV-SNVBAGLBSA-N 308.428 2.661 0 40 DFAB O[C@]1(CNCc2cccc3cn[nH]c23)CCCc2ccccc21 84023439 MDPYKSCUUQSIHE-IBGZPJMESA-N 307.397 2.877 0 40 DFAB C[C@@H](CNC(=O)[C@H](C1CC1)N1CCCC1)Oc1ccc(F)cc1 95939806 GIDQFQBITOCCBN-GUYCJALGSA-N 320.408 2.584 0 40 DFAB C[C@H]1C[C@@H]2OC(=O)C[C@H]2[C@H](O)[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706445 SPLOODGEQMWFMA-ATPVIVNWSA-N 310.434 2.919 0 40 DFAB c1cc(-c2cnc(N3CCOCC3)nc2-c2ccoc2)ccn1 12668196 GQIUVPPIZROOTC-UHFFFAOYSA-N 308.341 2.635 0 40 DFAB c1cc(NC2CCC3(CC2)OCCO3)cc(N2CCOCC2)c1 157195227 SZRVPWQLLMGBCN-UHFFFAOYSA-N 318.417 2.621 0 40 DFAB O=C(NC1CCC2(CCCCC2)CC1)c1ccc2nnnn2c1 527303469 VWWOZPWIBFIKAS-UHFFFAOYSA-N 313.405 2.747 0 40 DFAB O=C(NCc1nnc2n1CCC2)Nc1cccc2ccccc12 11008419 UDTYOUCDZMBXNH-UHFFFAOYSA-N 307.357 2.699 0 40 DFAB Cc1ccc(-c2noc(Cn3cnc4ccsc4c3=O)n2)cc1 15613925 HWKIMCKVXJUMDU-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB CC(C)Cc1nnc(NC(=O)c2n[nH]c3ccccc23)s1 21746973 JFDUFWIEXRNCFS-UHFFFAOYSA-N 301.375 2.865 0 40 DFAB Cc1[nH]c2ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2c1C 21903679 TZGQOVGWOAODTG-UHFFFAOYSA-N 315.417 2.771 0 40 DFAB C[C@H]1CCc2sc(C(=O)NCCNc3cnccn3)cc2C1 40087273 OYMPOBDXNHTZRN-NSHDSACASA-N 316.430 2.505 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1 32619479 ZOKHMQLAUQIEJE-UHFFFAOYSA-N 320.370 2.598 0 40 DFAB COC(=O)c1ccoc1COc1ccc(C(C)=O)cc1OC 32895998 SURGDRLMOFJZRF-UHFFFAOYSA-N 304.298 2.856 0 40 DFAB CC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1 75667 SFLYWOXMKIQCEW-UHFFFAOYSA-N 309.845 2.998 0 40 DFAB CC[n+]1cn(C[C@H](O)COc2ccc(F)cc2)c2ccccc21 316251 VGIQYLPTFXZSBU-HNNXBMFYSA-N 315.368 2.528 0 40 DFAB Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3C)c2)cn1 37176688 OLBHLMIRRZEBFK-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB CCOC(=O)Cn1cc(C=O)c2cc(Br)ccc21 555400 AJYQWBYMBPPOTF-UHFFFAOYSA-N 310.147 2.779 0 40 DFAB O=C(NC1CC1)C1(c2cccc(Br)c2)CCOCC1 77531344 PEZHJBJJWINKSW-UHFFFAOYSA-N 324.218 2.776 0 40 DFAB Nc1nc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 1712532 DDZJPETYMUJLIW-UHFFFAOYSA-N 314.352 2.918 0 40 DFAB in-vivo CNc1snc(C)c1C(=O)O[C@H](C)c1nc(C2CC2)no1 60911732 OGDVWXPERCLFEM-SSDOTTSWSA-N 308.363 2.672 0 40 DFAB COc1ccc(C(=O)NCCOCc2ccccc2)cc1OC 3178211 HJHXJEYASIWVHE-UHFFFAOYSA-N 315.369 2.650 0 40 DFAB CCOC(=O)N[C@@H](CC(=O)NC1CCCC1)c1ccccc1 6439166 XHHUHSXPLGVFRP-HNNXBMFYSA-N 304.390 2.923 0 40 DFAB CCCc1noc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)n1 22828482 PBXMFZVPGCGVPM-NSHDSACASA-N 305.353 2.971 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCCO2)NCCc1ccccc1 7786182 IJGMOBNOUHVDAB-VQHVLOKHSA-N 309.365 2.830 0 40 DFAB Cc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)s1 53990184 PUCYKCYBCFTPLN-UHFFFAOYSA-N 315.442 2.846 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 23219055 SYKXDIORCJCIFB-OAHLLOKOSA-N 302.374 2.953 0 40 DFAB CCCc1nnc(S)n1CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 23432443 NYUYOMQNFYLHSS-CHWSQXEVSA-N 322.478 2.558 0 40 DFAB COc1ccc(OC)c(NCc2nc3n(n2)CCCCC3)c1 28527844 QLMCDUFRCCJLOB-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB COc1ccccc1S(=O)(=O)N(Cc1ccccn1)C(C)C 56123579 QJAAIZZLOUDNLF-UHFFFAOYSA-N 320.414 2.690 0 40 DFAB O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 100391796 IWUFTOBAXFRALB-SJORKVTESA-N 309.365 2.702 0 40 DFAB Cn1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1=O 57399801 OZZSUWSCGKYITB-UHFFFAOYSA-N 310.397 2.828 0 40 DFAB O=C(Nc1cccc(N2CCCC2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105161 HBQHHLOYFLHUKS-BZUAXINKSA-N 301.390 2.728 0 40 DFAB O=c1ccnc2sc(NC[C@@H]3CCCc4ccccc43)nn12 48235363 DIUBHOMQMGMIMQ-LBPRGKRZSA-N 312.398 2.683 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)Nc1cc(C)on1 12779790 JSMOPENBTBYLSP-UHFFFAOYSA-N 304.306 2.594 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)COc1nnc2ccccn12 12760927 DIRUFNIOFTWYFI-UHFFFAOYSA-N 316.748 2.709 0 40 DFAB CC(C)NC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1 58218600 JZTLMEQAVLMZKE-UHFFFAOYSA-N 315.339 2.841 0 40 DFAB CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CC1CCCC1 58432027 FDSPXXUQZHDXDY-UHFFFAOYSA-N 317.433 2.971 0 40 DFAB COc1c(CN[C@H]2CCOc3c(C)cc(C)cc32)c(C)nn1C 58407391 BIHHBULYLJGKNC-INIZCTEOSA-N 315.417 2.967 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)on1 10643771 IGBWDONOOJSVBL-SNVBAGLBSA-N 316.386 2.989 0 40 DFAB CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 27580287 JLQBXUWVDJINIS-GOSISDBHSA-N 318.461 2.921 0 40 DFAB CCCc1ccc([C@H](C)NC(=O)c2cc(C)nc3ncnn23)cc1 36619356 SZASNXAWDQZVLK-ZDUSSCGKSA-N 323.400 2.876 0 40 DFAB Cc1nnc(NC(=O)Cc2csc(-c3ccccn3)n2)s1 12890075 VRVVOYTZMYNZPS-UHFFFAOYSA-N 317.399 2.546 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc2ccccc2o1 11866893 JUPWRZINZQTDCI-AWEZNQCLSA-N 309.321 2.859 0 40 DFAB Cc1ccccc1CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12998229 NVYXLQYWQTVQFW-OAHLLOKOSA-N 320.396 2.996 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccoc2)CC1 12905742 WHAPSAZAEAMLGY-UHFFFAOYSA-N 318.760 2.531 0 40 DFAB CC(C)CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O 3661806 ZHIXNAMOWHIBPN-UHFFFAOYSA-N 316.401 2.615 0 40 DFAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2ccccn2)CC1 3833923 LLYGPMQYOZPGRL-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 13345521 HONADMHLYBDITR-JXMROGBWSA-N 321.329 2.724 0 40 DFAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1C(=O)O 4107542 KRQKYMUIVHQXRG-BQYQJAHWSA-N 316.338 2.504 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1ccc(Cl)cc1 42271354 TUQJFCVOLOWTKU-SNVBAGLBSA-N 310.806 2.962 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1nccs1 65515747 JAONKMPUKODDIE-GFCCVEGCSA-N 316.386 2.778 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)N(C)Cc2ccccc2)n1 65563696 SKMRCHMHSJNDFZ-UHFFFAOYSA-N 320.396 2.912 0 40 DFAB Cc1sc2nc(CSc3nncs3)[nH]c(=O)c2c1C 6465607 QURSSQOMOAQXJN-UHFFFAOYSA-N 310.429 2.745 0 40 DFAB C[C@H]1c2cccn2CCN1Cc1nc(O)c2sccc2n1 14120520 PLRUCCWTBVMSPB-JTQLQIEISA-N 300.387 2.775 0 40 DFAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)c1 5451026 TVVQBVIHXPYMOJ-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB Cc1ccccc1COC(=O)c1cccc(NS(C)(=O)=O)c1 6623343 ZUXHARGYAOJHEG-UHFFFAOYSA-N 319.382 2.724 0 40 DFAB CCCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 6645939 BXBKYPKRNMHSAP-UHFFFAOYSA-N 304.390 2.678 0 40 DFAB Cc1cccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)c1 6875836 NHTZEHLQMFKTFY-SFHVURJKSA-N 322.408 2.919 0 40 DFAB O=C(O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2N=C1O 15085327 DTULQQINFOBVLB-SECBINFHSA-N 305.721 2.896 0 40 DFAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)C1=COCCO1 9450519 RZLHTFYINZKNLH-UHFFFAOYSA-N 324.308 2.915 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)s1 95445665 VLCLNEAZDZWVCJ-ROOOYKNVSA-N 305.852 2.643 0 40 DFAB Cc1ccc(NC(=O)c2nccn3ccnc23)c2cccnc12 81238715 IQLLBYGPKLNGIT-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB COc1cccc(CNC(=O)c2cnn(Cc3ccccc3)c2)c1 8249130 SXQFXBWOSSPNBF-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB Cc1nnc(NC(=O)c2cc(F)c(Cl)nc2Cl)s1 71799819 CGMFGDQLPSWOFV-UHFFFAOYSA-N 307.137 2.940 0 40 DFAB O=C(CSc1ccc(F)c(F)c1)NO[C@H]1CCCCO1 69415094 CRCXGQRSJYPFHO-ZDUSSCGKSA-N 303.330 2.631 0 40 DFAB O=C1NCCCN1c1cccc(-c2nc(-c3ccncc3)no2)c1 96449321 WRAVNKBCHPFOMR-UHFFFAOYSA-N 321.340 2.718 0 40 DFAB C[C@H](C[C@H](O)c1cccs1)NC(=O)CC1(O)CCCCC1 95434467 VBJZDDRIABNLFK-OLZOCXBDSA-N 311.447 2.762 0 40 DFAB CCOc1ccc(CCC(=O)N2CCCN(CC)CC2)cc1 69509780 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324.475 2.934 0 40 DFAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc(C(C)C)on1 72242585 ZQYYVQMQCNFAOF-ZDUSSCGKSA-N 300.362 2.704 0 40 DFAB CN(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cn1 88360498 YOWYVPGUSBBAJS-CYBMUJFWSA-N 314.393 2.630 0 40 DFAB CCCO[C@](C)(CC)C(=O)Nc1cnc(OCCOC)c(C)c1 225904090 FLDOCBRLCUOHAK-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB COCCCNC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227166952 ZCECZDXNUDIIKE-UHFFFAOYSA-N 319.380 2.622 0 40 DFAB CCCCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 42646703 JIUSIZNYEYCGDM-UHFFFAOYSA-N 311.385 2.679 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cn1 225892873 QQWZOIOMHXAPLG-INIZCTEOSA-N 310.394 2.641 0 40 DFAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccco1 225245594 PFXHJUNKGFULKR-NTEUORMPSA-N 303.387 2.818 0 40 DFAB CCCNc1ccc(CNC(=O)NCc2cscn2)cc1 192441910 ROPVDZZMIVFNEN-UHFFFAOYSA-N 304.419 2.964 0 40 DFAB COCCn1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)n1 96413391 FENCOLBJQVNZCJ-QGZVFWFLSA-N 318.421 2.884 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)c1ccccc1)CC2 96106281 BCCGLRPUTKNZNQ-INIZCTEOSA-N 303.402 2.592 0 40 DFAB CCc1nc(CCNC(=O)NC[C@@]2(C)CCCS2)cs1 96467088 NEXIUDJLUWQZDQ-CQSZACIVSA-N 313.492 2.833 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)CCC3)CC2 97198098 IOAACCGBBSGUGD-INIZCTEOSA-N 324.428 2.635 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)CC1CCCCC1)CC2 95957953 YOJNPKYIFYEMOC-AWEZNQCLSA-N 304.438 2.803 0 40 DFAB Cc1cc(NC(=O)N2Cc3ccccc3CO2)nn1C(C)C 333508824 IUBHYDQZEUFJGH-UHFFFAOYSA-N 300.362 3.252 0 40 DFAB C[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]21 96306203 IOUGDLVGAMVLPG-BDODKLCJSA-N 305.380 2.598 0 40 DFAB O=C(O)[C@H]1[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@H]2C=C[C@H]1C2 231383871 OVPFRCGBPWBEEM-XLAORIBOSA-N 323.392 2.825 0 40 DFAB CCC[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@H]2CO)CCO1 248533389 IMZOXIXCHRLEGM-JFIYKMOQSA-N 317.429 2.700 0 40 DFAB CCc1ccc(C(=O)N2CC3(C[C@@H](CCOC)CCO3)C2)cc1 247887516 SBQKXKDNXQOBCG-INIZCTEOSA-N 317.429 2.907 0 40 DFAB COc1cccc(CC(=O)N2CCC[C@H](c3[nH]ncc3C)C2)c1 257339190 ZAPDMIVMJOZZSO-HNNXBMFYSA-N 313.401 2.675 0 40 DFAB COc1ccc([C@H]2CN(CC3CCC3)CCN2C(C)=O)cc1 257317232 VIXANVQNLVPREH-GOSISDBHSA-N 302.418 2.701 0 40 DFAB c1cc([C@@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)[nH]n1 257225100 FEUPTMCLRPASJE-INIZCTEOSA-N 312.421 2.527 0 40 DFAB COc1cncc(S(=O)(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 281861089 MSXSVOAKQAXXFM-LLVKDONJSA-N 324.377 2.611 0 40 DFAB CC[C@@H](C)N1CCC[C@]2(CN(Cc3c(C)noc3C)C2=O)C1 585099594 RUFFXFFHIFZJJX-SJKOYZFVSA-N 305.422 2.514 0 40 DFAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](O)C1 74907188 YIKYNURNWHZTJM-HOTGVXAUSA-N 308.397 2.559 0 40 DFAB O=C(C[C@H]1CCCO1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 76018843 YMLIJNYUACGZEK-KGLIPLIRSA-N 322.380 2.924 0 40 DFAB CC[C@@H](CNC(=O)c1c(C)nn(C)c1C)Oc1ccccc1F 79013665 NHUBEBYVUBHRSP-ZDUSSCGKSA-N 319.380 2.763 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 97086345 QDAIWEIMPRTYFG-RISCZKNCSA-N 308.809 2.767 0 40 DFAB CC[C@@H](O)CCNC(=O)c1cc(Cl)c(OC)c(Cl)c1 84727862 RTGCZIOUVWRHHU-SECBINFHSA-N 306.189 2.893 0 40 DFAB COc1cc(NC(=O)Cc2ccccc2)cc(OC)c1OC 5577487 NTQWYIRAMSBSHS-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB COCCC(=O)N[C@@H](Cc1ccsc1)c1nc(C)cs1 19240164 JFQQZESFHXEDNC-LBPRGKRZSA-N 310.444 2.950 0 40 DFAB C[C@H]1CCCCN1CC(C)(C)NC(=O)c1cc(C2CC2)on1 19496358 JELKAOQXKULTAE-LBPRGKRZSA-N 305.422 2.935 0 40 DFAB CC(C)(C)c1ccc(CS(=O)(=O)C[C@@H](O)C(F)(F)F)cc1 158599082 IDJFLUIRQAKLHX-GFCCVEGCSA-N 324.364 2.822 0 40 DFAB C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101986741 AHBGVVDLUMLZGI-LOLSQTELSA-N 305.418 2.674 0 40 DFAB O=C(CSC(=S)N1CCCC1)NC1CCCCCC1 6904490 JDHMMLOPEQYGCA-UHFFFAOYSA-N 300.493 2.939 0 40 DFAB O=S(=O)(c1ccc(F)c(Cl)c1)N1[C@H]2C=CC[C@H]1CC2 208028886 YDXGVCFYXKSVPI-UWVGGRQHSA-N 301.770 2.961 0 40 DFAB Cc1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)nc1 1775974954 YHKMSMHJSRYKGZ-UHFFFAOYSA-N 320.437 2.868 0 40 DFAB Cc1nc2ccccc2nc1N1CCC(NC(=O)C2CCC2)CC1 363380364 JSYKLOJSWZBITE-UHFFFAOYSA-N 324.428 2.823 0 40 DFAB CSc1cccc(NC(=O)NCCNc2ccc(C)nn2)c1 35598007 NGTVYMPCINVRJT-UHFFFAOYSA-N 317.418 2.741 0 40 DFAB CCCCCC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 31586477 WWQQRNANWLGWKQ-UHFFFAOYSA-N 314.311 2.945 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)c1)NCc1cccs1 40489768 GWAWJTMZRZZHFJ-UHFFFAOYSA-N 316.430 2.743 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H]1CCOc2ccccc21 31703528 BQXWUPQVCJXYOR-KOLCDFICSA-N 303.280 2.594 0 40 DFAB CC(C)Cc1ccc([C@@H](O)Cn2cnc3ncccc3c2=O)cc1 51283340 NWMHFKZLSDPUJC-KRWDZBQOSA-N 323.396 2.724 0 40 DFAB Cc1cc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1 49627 NTBRTLMFVIYCLS-UHFFFAOYSA-N 303.321 2.981 0 40 DFAB COc1cc(C)ccc1OCC(=O)N1CCc2ccccc2C1 9384768 BSMSHBXQRXIJMU-UHFFFAOYSA-N 311.381 2.967 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)[C@H]1C[C@H]1c1cccc(F)c1F 76083895 SIOCTDXFFABBSE-OBJOEFQTSA-N 323.364 2.980 0 40 DFAB CCOc1ccc2cc(C(=O)N3CCO[C@@H]4CCC[C@H]43)[nH]c2c1 53385981 GZDOKVWCYGRYHK-IAGOWNOFSA-N 314.385 2.960 0 40 DFAB CCCNC(=O)CSc1nnc(Nc2ccccc2)s1 3530662 JSUBSCIIMNESBN-UHFFFAOYSA-N 308.432 2.900 0 40 DFAB O=C1COc2ccc(C(=O)NC3CCCCCCC3)cc2N1 22594814 JCAFLBMXCQTNDO-UHFFFAOYSA-N 302.374 2.860 0 40 DFAB CC(C)Cc1nnc2sc(NC(=O)c3ccc(F)cc3)nn12 6818060 MPVQLQXSDSWGIR-UHFFFAOYSA-N 319.365 2.776 0 40 DFAB COCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604313 RTPMWICVJVCXPY-UHFFFAOYSA-N 322.364 2.552 0 40 DFAB Cc1cccc(C)c1N1C[C@H](C(=O)NCc2ccco2)CC1=O 7928335 LZNPVYSVNKEXGQ-CQSZACIVSA-N 312.369 2.566 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100539677 BHUWYHGAMQJNGC-IZKTWJBDSA-N 309.365 2.643 0 40 DFAB CC(C)c1cc(NC(=O)CN2CCc3sccc3C2)on1 23630858 OSLCZCIXFTVFKK-UHFFFAOYSA-N 305.403 2.856 0 40 DFAB Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 1105828 DQTDKUCWHSNMAD-UHFFFAOYSA-N 323.443 2.567 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)on1 57093425 NTMFUMQNVZDUMT-GFCCVEGCSA-N 302.378 2.742 0 40 DFAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 56278743 YYTPFIHNWHOZPU-GFCCVEGCSA-N 321.446 2.998 0 40 DFAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2cn[nH]c2c1)C(C)C 25790688 IANJQQCPPNLMQD-GFCCVEGCSA-N 317.389 2.754 0 40 DFAB Cn1cc(Br)cc1C(=O)N1CCc2ccccc21 35180308 QNLFOJZNTHZVGY-UHFFFAOYSA-N 305.175 2.991 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccn(C)n1 26406062 VFQFPBHKTJQDLF-UHFFFAOYSA-N 302.359 2.626 0 40 DFAB O=C(CCc1nc[nH]n1)Nc1cc(C2CCCCCC2)[nH]n1 72314457 OVFSUGMQCNRPNA-UHFFFAOYSA-N 302.382 2.537 0 40 DFAB COC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)cc1C 26580410 NFRLMEVLCRDAGC-CYBMUJFWSA-N 311.389 2.879 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 20279347 MWNDKSGQZZLRPG-SNVBAGLBSA-N 304.296 2.722 0 40 DFAB N=C1c2ccccc2CN1NC(=O)COc1ccc(Cl)cc1 3270857 XLELIEDASRFEGJ-UHFFFAOYSA-N 315.760 2.591 0 40 DFAB CCN1C[C@@H](CN(C)C(=O)c2ccco2)Oc2ccccc21 58195967 OKNJOGIQZVEXMA-CYBMUJFWSA-N 300.358 2.639 0 40 DFAB O=C(Cc1ccc2ccccc2c1)NCc1nnc2ccccn12 12681990 ROVMJUASLHBVNV-UHFFFAOYSA-N 316.364 2.741 0 40 DFAB CC1CCC(C)(NC(=O)CN(C)C(=O)c2cccs2)CC1 58344863 VHBGWAKFXDIUKL-UHFFFAOYSA-N 308.447 2.905 0 40 DFAB O=C(Nc1ccc[nH]c1=O)c1cc(-c2cccc(Cl)c2)on1 58432603 OUDLXYFOJALQNF-UHFFFAOYSA-N 315.716 2.936 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1noc(C2CC2)n1 84338730 FPSXHFFBNQBMGH-LBPRGKRZSA-N 314.345 2.790 0 40 DFAB CCNC(=O)CSc1nnc(Nc2cccc(C)c2)s1 3375674 VWIKWPUWRWUYSY-UHFFFAOYSA-N 308.432 2.818 0 40 DFAB C[C@H](C1CC1)N(C)CC(=O)Nc1ccnn1Cc1cccs1 48342047 BQNZOYRRUKKPLA-GFCCVEGCSA-N 318.446 2.662 0 40 DFAB CCc1nc(CCNS(=O)(=O)c2cccs2)sc1C 60361458 SQIINTSBLINDPD-UHFFFAOYSA-N 316.473 2.596 0 40 DFAB O=C(COC(=O)c1cc(Cl)ccc1O)NC1CCCCC1 3485403 DPHDHGUGURWDGL-UHFFFAOYSA-N 311.765 2.651 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c2n[nH]cc2c1 69843614 ZGJLBFXDYWMBPY-HZPDHXFCSA-N 312.417 2.570 0 40 DFAB CCOC(=O)c1c(O)cc(O)cc1CCc1ccc(O)cc1 26522558 PADJWWDZIVNKCQ-UHFFFAOYSA-N 302.326 2.765 0 40 DFAB Cc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12 4038922 AARVRAZYIRDYCJ-UHFFFAOYSA-N 323.348 2.959 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(Cl)nc(N)n2)C1 64915951 TUZQRVHTIXASSK-DGCLKSJQSA-N 317.824 2.960 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)C(C)C 39975635 NHJCSLNFBRJQCS-OAHLLOKOSA-N 306.406 2.789 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H](C1CC1)N1CCCC1 97376292 JDQPHAKPCMGDHK-SJORKVTESA-N 320.477 2.859 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cccc(F)c1 14021715 ADGNCPWYDNIIBN-UHFFFAOYSA-N 316.332 2.974 0 40 DFAB Cc1cnn(CCC(=O)N[C@@H](C)Cc2cccc(Cl)c2)c1 65575279 OTSIEDSSLSRHLD-ZDUSSCGKSA-N 305.809 2.982 0 40 DFAB C[C@H](Nc1ncnc2ccsc12)C(=O)N1CCCC[C@@H]1C 65593433 REPSZVINSRQSDT-QWRGUYRKSA-N 304.419 2.893 0 40 DFAB C[C@H](NC(=O)NCc1cccs1)c1ccc(NC(N)=O)cc1 65623492 ZZMOAIIZMHASDC-JTQLQIEISA-N 318.402 2.799 0 40 DFAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCCC2)oc2ccccc12 4581833 HNISALFYVQHNEJ-LBPRGKRZSA-N 301.342 2.909 0 40 DFAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1 7038886 LLJCJEQMYGJNBS-LLVKDONJSA-N 306.431 2.970 0 40 DFAB Cc1ccc(-n2nnc(C(=O)O)c2-c2ccccn2)cc1Cl 67323717 SXIVXFCZOBXWLB-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB in-vitro O=C1c2ccccc2C(=O)N1c1cnn(Cc2ccccc2)c1 83254991 XGSLFFUZXMQEMR-UHFFFAOYSA-N 303.321 2.732 0 40 DFAB in-vitro NC(=O)c1ccc(COC(=O)CCc2ccccc2F)cc1 16563553 HGTNSPRIACVKMI-UHFFFAOYSA-N 301.317 2.601 0 40 DFAB C[C@@H](CCCN(C)C)OC(=O)[C@@H]1CCCN1Cc1ccccc1 96013342 FGMNNUMZCHKYSF-WMZOPIPTSA-N 318.461 2.925 0 40 DFAB CCc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1 69485279 CLEPDBQOPVNHPJ-UHFFFAOYSA-N 319.386 2.570 0 40 DFAB CN(C(=O)c1ccoc1)[C@@H]1CCN(c2ccccc2Cl)C1=O 69631767 KAVGJLUQIULQRY-CQSZACIVSA-N 318.760 2.811 0 40 DFAB CC(C)N(Cc1cc2c(s1)CCC2)C(=O)c1nccnc1N 95397295 RTMUWWDEACLJLJ-UHFFFAOYSA-N 316.430 2.660 0 40 DFAB c1ccc2oc(N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)nc2c1 71811068 BPPNGOISGMNBGA-KBPBESRZSA-N 302.374 2.992 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1Cn1cccn1 71866305 MHQMWTJBTAWTNI-CQSZACIVSA-N 308.385 2.978 0 40 DFAB Cc1nc(CNC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 71911387 RJTSMGNCFXSYLD-MRXNPFEDSA-N 315.373 2.695 0 40 DFAB Clc1ccc2nc(CSC3=NN4C=CC=C[C@@H]4N3)cn2c1 28465726 RUOAROAYXFBWRH-CYBMUJFWSA-N 317.805 2.807 0 40 DFAB Cc1cc(CC(=O)NCC2(c3ccccc3Cl)CC2)n[nH]1 95449172 SGJSGNPHCCQLHX-UHFFFAOYSA-N 303.793 2.762 0 40 DFAB Brc1ccccc1C1(CNCc2ncc[nH]2)CC1 97002746 PHOQEAKQNNRSTN-UHFFFAOYSA-N 306.207 2.994 0 40 DFAB C[C@@](Cc1ccccc1)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)O 97018121 VLRHAMAMPPIFJG-IBGZPJMESA-N 322.364 2.984 0 40 DFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc2nnnn2n1 72277133 YBDBFKAQYGNNPI-GJZGRUSLSA-N 308.389 2.682 0 40 DFAB Cc1ccnc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 97165476 JRZDMMLXZCHCNV-ZDUSSCGKSA-N 319.405 2.976 0 40 DFAB O=C1CCCN1C[C@@H](Nc1ncnc2c1CCC2)c1ccccc1 95961994 OZSNFVYQCTYWLY-QGZVFWFLSA-N 322.412 2.741 0 40 DFAB Cc1cnc(CCN(C)C(=O)c2ccc3[nH]cnc3c2)s1 89702404 PRVZZUFDKCUHRC-UHFFFAOYSA-N 300.387 2.643 0 40 DFAB CC(C)(C(=O)NC[C@H](O)Cc1ccccc1)c1cccs1 89775542 XUPWRZUYIOZPLL-CQSZACIVSA-N 303.427 2.746 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cn1 71796928 AHFJJDNAUOROML-CYBMUJFWSA-N 301.415 2.948 0 40 DFAB CCn1nccc1CN1CCN([C@@H](C)c2ccsc2)CC1 184973667 JDJUEUCYGOGXAD-AWEZNQCLSA-N 304.463 2.843 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc(N2CCCCC2)n1 72239817 HMAJYZKMPAJDRS-OKILXGFUSA-N 316.449 2.893 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 75081333 MWCOGWOIKXQIFV-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1 32616986 FKAYHDLNDYCKMC-UHFFFAOYSA-N 302.165 2.621 0 40 DFAB Cc1cnc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl 72203089 FMGIPGSLOQWDPA-SNVBAGLBSA-N 312.801 2.860 0 40 DFAB COc1ccc([C@@H]2C[C@]23C(=O)Nc2ccc(C(=O)O)cc23)cc1 217476142 LDAPUXLKXOPVGQ-KBXCAEBGSA-N 309.321 2.771 0 40 DFAB COc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1 217562568 NNLNMZJVCQLFRF-HNNXBMFYSA-N 309.373 2.615 0 40 DFAB Cn1ccc2c(NC(=O)C[C@H]3NC(=O)c4ccccc43)cccc21 72406498 TXDKNNGNMHTURC-MRXNPFEDSA-N 319.364 2.992 0 40 DFAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)N1CCc3ccccc31)O2 41548357 GMUATQVHEWNNHR-IBGZPJMESA-N 322.364 2.674 0 40 DFAB CCn1nncc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 563095591 FCINEEDCOCGWAN-ZDUSSCGKSA-N 310.405 2.643 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)N2CCC(C)CC2)cc1 226750612 IYXFLSGLJWYUEH-HNNXBMFYSA-N 319.401 2.902 0 40 DFAB Cc1nnc(N2CCC(Nc3cccc(C(=O)O)c3)CC2)s1 567983945 YYDZBZZUCYBDIK-UHFFFAOYSA-N 318.402 2.626 0 40 DFAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC 223193937 CNNAZFDIOPFKAR-AWEZNQCLSA-N 310.825 2.993 0 40 DFAB COc1cccc(OC)c1C(=O)c1ccccc1OC(C)=O 43209817 BVJVSROPLWWXBG-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CC1(C)CN(C(=O)Nc2cnn(CC(F)(F)F)c2)CCS1 83570367 DJICEJMNDHNYLU-UHFFFAOYSA-N 322.356 2.805 0 40 DFAB CN(C(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCOC1 225454689 BPBJHVPBUIZXQB-LBPRGKRZSA-N 311.341 2.684 0 40 DFAB CC(C)NC(=S)Nc1ccc(Sc2ncccn2)nc1 223875791 VLOOQEFPLOCSID-UHFFFAOYSA-N 305.432 2.718 0 40 DFAB C[C@H]1CCN(C(=O)[C@@H](C)[C@@H](C)C(=O)N2CC[C@@H](C)[C@@H]2C)[C@H]1C 195579821 ZXNYITSZMOXYCQ-AYCBFJCHSA-N 308.466 2.772 0 40 DFAB Cn1cccc1CN1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 96161549 UJNFWRDGGAEOBS-GASCZTMLSA-N 301.459 2.650 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)C3CC=CC3)CC2)N1 96199632 MYXSECSLBTYBKS-QGZVFWFLSA-N 324.424 2.618 0 40 DFAB O=C(c1ccoc1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186421 MVVCSAHSIOSCHA-HOTGVXAUSA-N 310.353 2.690 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(Cc3cccnc3)CC2)N1 96061423 BTYDKHZPRFKMMQ-GOSISDBHSA-N 321.424 2.720 0 40 DFAB O=C(Nc1nc(-c2ccncc2)cs1)c1n[nH]c2c1CCC2 95479056 LNNICJBENLMLOG-UHFFFAOYSA-N 311.370 2.669 0 40 DFAB CC(C)OCCS(=O)(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 96451049 AUFMXCGCZKRTTN-OCCSQVGLSA-N 317.476 2.681 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@](C)(O)c1cccs1 96445798 ONBDSRIQQDGBQX-KRWDZBQOSA-N 318.442 2.801 0 40 DFAB CC1(C)C[C@H](NC(=O)c2cc(-c3cccs3)[nH]n2)CCO1 95476035 ZTPLQWPTHMNMNF-SNVBAGLBSA-N 305.403 2.826 0 40 DFAB CCN(CC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)C1CC1 97233752 RCGTXIFPXWULKX-MRXNPFEDSA-N 318.465 2.955 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1C 96521408 KKMKPKCDIAFWHZ-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1ccccc1 96410837 QYPDJPKQPNZZKT-UHFFFAOYSA-N 317.345 2.812 0 40 DFAB C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccs1 245344052 XDETVPHNFOHWHT-YRGRVCCFSA-N 301.477 2.797 0 40 DFAB CC[C@@H]1CCCCN1c1nn(-c2ccccc2)nc1C(=O)O 256048703 VOCZVMHOHHQOQW-GFCCVEGCSA-N 300.362 2.734 0 40 DFAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCCCC1 256046647 HGZGNYUWRQXBOV-UHFFFAOYSA-N 306.753 2.609 0 40 DFAB CCCN(CCC)c1nn(-c2ccccc2C)nc1C(=O)O 256048019 QDDBYWFTWGVDOX-UHFFFAOYSA-N 302.378 2.900 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2nc3ccccc3[nH]2)CC1 368946879 GYCKOAPJCAZNJP-UHFFFAOYSA-N 300.406 2.694 0 40 DFAB O=C(Nc1ccccc1)C1CCN(CCc2ccncc2)CC1 24855430 ULDJQBIGZUZWCO-UHFFFAOYSA-N 309.413 2.975 0 40 DFAB C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cnn2cccnc12 296144932 PVCUKLDCKYHASX-ZJUUUORDSA-N 312.295 2.532 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](Oc2ccncn2)C1 575605494 QHWIPNABVZJYLU-CQSZACIVSA-N 317.776 2.814 0 40 DFAB CCOC(=O)C(=O)c1c[nH]c2c(F)ccc(Br)c12 669369633 CYOHYKDKHSCIKN-UHFFFAOYSA-N 314.110 2.815 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@H](n2cccn2)C1 69350959 CSXVBXZPRBZAES-HNNXBMFYSA-N 306.369 2.909 0 40 DFAB CN1CCN(CCc2ccc(NC(=O)C3CCCC3)cc2)CC1 56040838 HDEONTQCRYZKTD-UHFFFAOYSA-N 315.461 2.605 0 40 DFAB CC(=O)Nc1ccc(CN2CC(COc3cccnc3)C2)cc1 1776008044 URVNOBITNVMHMC-UHFFFAOYSA-N 311.385 2.551 0 40 DFAB O=S(=O)(CCNC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 89828031 AJHSCSKYCZGSNQ-WMZOPIPTSA-N 315.438 2.854 0 40 DFAB N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(I)cc1C2 95917696 DSBIOPCBTJKBGV-NRUUGDAUSA-N 313.182 2.743 0 40 DFAB CC[C@H](NC(=O)NCc1ccoc1C)c1c(C)nn(C)c1C 96439371 TWNPIOUMBFEZNQ-AWEZNQCLSA-N 304.394 2.889 0 40 DFAB CCc1cc(N2CC[C@@]3(CCCNC3)C2)nc(-c2ccncc2)n1 576136145 UCNDMNSMOYIPGV-LJQANCHMSA-N 323.444 2.681 0 40 DFAB Cc1oncc1C(=O)NC[C@H](O)c1csc2ccccc12 585372430 PZGABUGLXDAFMY-ZDUSSCGKSA-N 302.355 2.661 0 40 DFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1 97032555 DFFRKBRZRREKOP-NSHDSACASA-N 310.444 2.589 0 40 DFAB COc1cccc2cc(-c3nc(=O)c4ccccc4[nH]3)c(=O)oc12 952962570 CUJYWPLSBQDBPI-UHFFFAOYSA-N 320.304 2.705 0 40 DFAB Cc1ncsc1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 1615192037 QGTXSEJNCVUMET-INIZCTEOSA-N 322.405 2.606 0 40 DFAB COc1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cc1 1772595173 OEMHCUJHUIAZLN-HNNXBMFYSA-N 323.396 2.906 0 40 DFAB Cc1cc2occ(CC(=O)N[C@H]3CCCN(C)C3)c2cc1C 12195218 GHALEWRWUCZBSC-HNNXBMFYSA-N 300.402 2.803 0 40 DFAB CCn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1 14239311 VTDQLACSDGRHKI-UHFFFAOYSA-N 315.398 2.535 0 40 DFAB O=S1(=O)CC[C@@H](NCc2ccc(Sc3ccccc3)o2)C1 19772667 XJPQNKFBICGMAH-GFCCVEGCSA-N 323.439 2.708 0 40 DFAB COc1ccc(-c2c(C)nn3c2ncc2c(=O)[nH]ccc23)cc1 19962612 PFMKBVVAXWQKJZ-UHFFFAOYSA-N 306.325 2.555 0 40 DFAB CC[C@H](C)C(=O)N[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 14617008 KZAOEMMZRGEBST-FCBZUWDESA-N 300.402 2.811 0 40 DFAB biogenic Cc1oc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1C 11144627 GSIMGKSZDOGFIW-UHFFFAOYSA-N 322.386 2.829 0 40 DFAB C[C@@H](NC(=O)c1ccc(O[C@@H]2CCOC2)nc1)c1ccccc1 252522927 BKLVTLNTUQBNKM-CZUORRHYSA-N 312.369 2.740 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)Nc3ncccc3C)CC2=O)cc1 4272588 QWBHYAGDOUVIFX-CQSZACIVSA-N 324.384 2.625 0 40 DFAB Cc1cccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)c1 23002418 IFFVJZJFJJTUKA-UHFFFAOYSA-N 318.442 2.582 0 40 DFAB Cn1cc([C@@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cn1 328905242 JXXUSGWNGGFJDM-KRWDZBQOSA-N 321.384 2.731 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@@](C)(O)Cc2ccsc2)c1 618257512 YTSACLOEJXTKQE-KRWDZBQOSA-N 318.442 2.538 0 40 DFAB O=C(NCCCn1cccn1)C1(c2ccc(Cl)cc2)CC1 30171765 MDABIWQTCIHXHM-UHFFFAOYSA-N 303.793 2.775 0 40 DFAB O=C(CSc1ncccn1)Nc1ccc(Br)cc1 167271 UFXMKIHZRTXQLQ-UHFFFAOYSA-N 324.203 2.970 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100951117 SJIJMLBRASBBOU-STQMWFEESA-N 322.364 2.610 0 40 DFAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(C)cc2)NC(=O)N1 279861 AUJMBBGTZJQGFB-AWEZNQCLSA-N 302.374 2.965 0 40 DFAB CC(C)(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 268346 VLXYNOOSSPBLQH-UHFFFAOYSA-N 312.416 2.684 0 40 DFAB CCn1nc(C)c2[nH]c(=S)n(Cc3ccc(C)cc3)c(=O)c21 101375030 ONDMRJWBUCWEFE-UHFFFAOYSA-N 314.414 2.941 0 40 DFAB CC[C@@H](C(=O)O)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 339180 ACOZFLJTXDENNX-WPRPVWTQSA-N 306.387 2.619 0 40 DFAB Cc1cc(-n2c(C)cc(C(=O)NCCc3ccccn3)c2C)no1 32657262 NLZOVCPFHVCFKB-UHFFFAOYSA-N 324.384 2.758 0 40 DFAB C[C@H](NC(=O)c1ccc[n+]([O-])c1)c1cccc(C(F)(F)F)c1 32983527 KBAUKTRJBBDNEV-JTQLQIEISA-N 310.275 2.830 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](C(C)C)N1CCCC1 32907375 AMWXMNNVQWORFZ-OAHLLOKOSA-N 305.422 2.937 0 40 DFAB CCC(=O)N1[C@@H](C(=O)OC)Cc2c([nH]c3ccccc23)[C@H]1C 487054 NFQNBDGQHZZOSN-QMTHXVAHSA-N 300.358 2.565 0 40 DFAB biogenic O=C(NC[C@@H]1Cc2ccccc2O1)c1cnn(-c2ccccc2)c1 33116593 FIMLNLVSYCLPQZ-KRWDZBQOSA-N 319.364 2.606 0 40 DFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccsc1 78800660 GCEUDHNIHTXQRZ-INIZCTEOSA-N 316.426 2.551 0 40 DFAB CC[C@@H](Cc1ccccc1)OC(=O)c1ccc(S(C)(=O)=O)o1 78948756 PSKWWIFAMRTIDK-ZDUSSCGKSA-N 322.382 2.861 0 40 DFAB COc1ccc2c(CC(=O)N3CCO[C@@H]4CCC[C@H]43)coc2c1 53382231 VJABZUJZNHFJLY-HZPDHXFCSA-N 315.369 2.764 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nnc(N)s1 22738290 XGZQIWFVTMUAMF-SNVBAGLBSA-N 322.459 2.568 0 40 DFAB CCCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1 4881552 PUDNWDUASKCFAL-UHFFFAOYSA-N 320.418 2.770 0 40 DFAB CN1CCCN(Cc2ccc(Br)cc2F)CC1 42205970 LZPCQRUCMHDNTK-UHFFFAOYSA-N 301.203 2.726 0 40 DFAB in-vitro C[C@H]1CCCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)C1 104279609 UCHZGLURTGJZSQ-QWHCGFSZSA-N 312.421 2.990 0 40 DFAB COc1ccc(C)cc1NC(=O)CCNC(=O)OCC(C)C 8302075 ZYQKUZADKCLMJO-UHFFFAOYSA-N 308.378 2.714 0 40 DFAB COc1cc(C(=O)Nc2nnc(C)s2)ccc1OC(F)F 8328452 JPHNIYWLGQHSAL-UHFFFAOYSA-N 315.301 2.709 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cc2c1OCCO2 23305915 RLFVCFVVXDSROL-NSHDSACASA-N 317.341 2.859 0 40 DFAB CC(C)CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 23993796 USOLDTWXJACDAP-LBPRGKRZSA-N 313.419 2.561 0 40 DFAB COc1cc(C(=O)NCCSC(F)(F)F)cc(OC)c1C 47425000 VTOYLBXPEPARHG-UHFFFAOYSA-N 323.336 2.995 0 40 DFAB CCn1nc(C)c2c(C(=O)NCc3ccccc3)cc(C)nc21 28222303 AWRBDYAQCRKYQI-UHFFFAOYSA-N 308.385 2.998 0 40 DFAB O=C(/C=C/c1ccco1)Nc1ccc(CN2C(=O)CCC2=O)cc1 24836628 AALYSGFKLMHNFX-BQYQJAHWSA-N 324.336 2.581 0 40 DFAB CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1C)C2 108533963 VURXJFSRBAHPCK-WMZOPIPTSA-N 304.409 2.872 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)N1CCC[C@@H]1CN1CCCC1 58077889 QGBBJXXUAWXJKF-GFCCVEGCSA-N 321.450 2.508 0 40 DFAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC1CCCC1 47988234 GYXGPROJUMVKLW-UHFFFAOYSA-N 301.390 2.951 0 40 DFAB O=C(c1cccc(F)c1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100746276 KGOWKMTYMXZBNS-CKEIUWERSA-N 302.393 2.772 0 40 DFAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)C1CCCC1 27452954 SEYMMAQGLXWUMX-UHFFFAOYSA-N 316.401 2.817 0 40 DFAB Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)c(C)c1 27977020 PMGJHGBEFNPBAU-CQSZACIVSA-N 310.463 2.712 0 40 DFAB Cc1cc(NC(=O)c2cccnc2Cl)cc(C(=O)O)c1O 20143552 UPNDYMVGTQVXNL-UHFFFAOYSA-N 306.705 2.700 0 40 DFAB Cn1nccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 58424553 KFAQJPNFHMQYNY-UHFFFAOYSA-N 310.313 2.518 0 40 DFAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 58404893 PHAHUFNIFFZPJA-KGLIPLIRSA-N 307.390 2.996 0 40 DFAB COC[C@H](C)N(C)C(=O)NCc1cc(-c2ccc(C)cc2)no1 48248992 WXEWJSKJDWUINF-ZDUSSCGKSA-N 317.389 2.826 0 40 DFAB CCc1nnc(S[C@H](C)C(=O)Nc2cc(F)ccc2F)[nH]1 11717176 ZXIZYMAYGZRTQD-SSDOTTSWSA-N 312.345 2.765 0 40 DFAB CCc1sc(C(=O)NCCNC(=O)OC(C)(C)C)cc1C 60158953 DNHCQXRIGKBYFZ-UHFFFAOYSA-N 312.435 2.873 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2)c1C 3480104 OSPFZHYFIKLZOC-UHFFFAOYSA-N 314.341 2.630 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1 3405204 ZUJPSFDPIUMWMJ-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB CCCCN1C[C@H](c2nc3ccccc3n2CCOC)CC1=O 8844985 SCWFBHUGQQLPLH-CQSZACIVSA-N 315.417 2.799 0 40 DFAB CCCOc1ccc(N2C[C@H](C(=O)N[C@H](C)CC)CC2=O)cc1 408708562 QMNQYTYGEHQMBV-ZIAGYGMSSA-N 318.417 2.743 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1ccc(Cl)cc1 42271351 TUQJFCVOLOWTKU-JTQLQIEISA-N 310.806 2.962 0 40 DFAB Cc1ccc(Cn2nccc2NC(=O)c2snnc2C)cc1 13684247 DCBSKHWHLANNTH-UHFFFAOYSA-N 313.386 2.652 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccsc1 39976125 GLKYEPQFQJTREB-UHFFFAOYSA-N 308.447 2.513 0 40 DFAB CCCCC[C@@H](C)NC(=O)N[C@@H](CCSC)C(=O)OC 5216050 JWDWDRRWUNYSCU-NEPJUHHUSA-N 304.456 2.549 0 40 DFAB Cc1nnc(NC(=O)NCCc2nc3c(s2)CCCC3)s1 65547535 LZLFNLYAWCECTK-UHFFFAOYSA-N 323.447 2.546 0 40 DFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)s1 4562942 WWIDIWBOUGTJJJ-UHFFFAOYSA-N 321.741 2.812 0 40 DFAB CN1CCC(C)(COC(=O)[C@@H]2CCOc3ccccc32)CC1 96004152 FVLVOKOXFJKKRC-OAHLLOKOSA-N 303.402 2.828 0 40 DFAB O[C@H](CNc1ncc(Br)cn1)c1ccccc1F 67350046 QECNHMSOXUPLFR-LLVKDONJSA-N 312.142 2.524 0 40 DFAB COCCn1ccc(NC(=O)/C=C(\C)c2ccccc2OC)n1 96292620 KNCXOXOCDAOXSI-OUKQBFOZSA-N 315.373 2.580 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)c1ccc2c(c1)OCO2 7863138 SLALFVFGAHKPMM-UHFFFAOYSA-N 312.321 2.692 0 40 DFAB Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1C 81323006 TUADBKXNPMUSOJ-GOEBONIOSA-N 323.458 2.790 0 40 DFAB C[C@@H](OCC1CC1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C 69485751 VMVSBSNSMYZJNC-LLVKDONJSA-N 317.364 2.980 0 40 DFAB O=C(NC[C@H]1CCOC1)NC1(c2ccc(F)cc2)CCCC1 69414533 PIGNLTDLLNONSM-CYBMUJFWSA-N 306.381 2.931 0 40 DFAB Cc1sc2ncnc(N3CCC(C(=O)N(C)C)CC3)c2c1C 17395792 SWGAWJWVUZBAPA-UHFFFAOYSA-N 318.446 2.613 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N[C@@H](C)c2cccs2)c1 69742478 KPYJCNPZPOXFFS-HZSPNIEDSA-N 320.462 2.670 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc3[nH]cnc3c2)c1 69706225 YAOFKKDDSPEVRM-OAHLLOKOSA-N 323.400 2.763 0 40 DFAB C1CCCN([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1 69845947 XBMCMTAUHMLJBD-OAHLLOKOSA-N 304.438 2.787 0 40 DFAB CC(C)N1CC[C@@H](NC(=O)/C=C/c2cccc3cccnc23)C1 69899101 NBXMIOSEJYJRAN-KBOKABMXSA-N 309.413 2.847 0 40 DFAB Cc1cc([C@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)n[nH]1 84111434 PFORYUJUJUKZMP-ZDUSSCGKSA-N 301.394 2.748 0 40 DFAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)NCCN(C)C 97052328 CVCTYTLCZZZOQD-UHFFFAOYSA-N 321.812 2.517 0 40 DFAB O=C(NCCc1ccccn1)Nc1cccc(-c2cn[nH]c2)c1 97234860 KQWVPTBLZXDYNG-UHFFFAOYSA-N 307.357 2.836 0 40 DFAB CCc1ccccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97162066 FDUVWDNRYYAZHB-UHFFFAOYSA-N 310.401 2.983 0 40 DFAB O=C1NCCN(C(=O)C[C@@H]2C=CCC2)[C@@H]1c1ccccc1Cl 97106881 ZYCNHAUGVRQSLU-MLGOLLRUSA-N 318.804 2.696 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2C[C@@H]1O 84582100 JJLRRYALYIERFI-UONOGXRCSA-N 315.398 2.800 0 40 DFAB C[C@H](NC(=O)c1ccc(NC=O)cc1)[C@@H](C)Oc1ccccc1 95405622 JWQRYBIYXMCWEM-UONOGXRCSA-N 312.369 2.841 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 95969663 DENBPXSOLMWDJP-UHFFFAOYSA-N 307.309 2.823 0 40 DFAB Cc1ccc(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)n[nH]2)c(=O)[nH]1 74830535 HPXPPKOFURQPCU-SNVBAGLBSA-N 316.405 2.883 0 40 DFAB CN(CC1CCC1)C(=O)NCc1cnn(Cc2ccccc2)c1 89340249 HJSIHACENYGZPN-UHFFFAOYSA-N 312.417 2.873 0 40 DFAB COc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1Cl 89954684 GJNGHCYOCJLQLQ-CQSZACIVSA-N 310.825 2.697 0 40 DFAB CN(Cc1nccn1C)C(=O)CCCc1c[nH]c2ccccc12 61512257 ICYMXDMIYGKHJE-UHFFFAOYSA-N 310.401 2.883 0 40 DFAB Oc1ncnc2ccc(NC(=S)N3CCCCCC3)cc12 408999355 KOZCFGVCGGHCQU-UHFFFAOYSA-N 302.403 2.908 0 40 DFAB C[C@H]1CC2(CCNCC2)CN1C(=O)c1cc2ccccc2n1C 565149353 MKLSVTNWVLXWHM-AWEZNQCLSA-N 311.429 2.783 0 40 DFAB Cc1ccc([C@H]2[C@@H](CO)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446288 OFPTXVRIANHEFN-SQNIBIBYSA-N 316.422 2.852 0 40 DFAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCOC1 72346636 RDUCIZOZOQUWPT-DZGCQCFKSA-N 301.386 2.976 0 40 DFAB CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nccn1C 79027988 NFHQNMXRQCUQOT-UHFFFAOYSA-N 320.824 2.924 0 40 DFAB COCCO[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 186675325 PXZUDGKRMRRMJZ-GXTWGEPZSA-N 324.446 2.572 0 40 DFAB COc1c(Cl)cc(C(=O)OCCCNC(C)=O)cc1Cl 78442875 NZGZPFHHYYWGJT-UHFFFAOYSA-N 320.172 2.685 0 40 DFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646599 CQGCLVLLUHKRAS-CYBMUJFWSA-N 312.369 2.554 0 40 DFAB CC(C)Cn1nccc1C(=O)Nc1cccc([C@H](C)C(=O)O)c1 575130145 LMMMTFDDJVKUFB-LBPRGKRZSA-N 315.373 2.980 0 40 DFAB Cc1ccc(-n2nc(N3C(=O)[C@@H]4CCCCN4C3=O)cc2C)cc1 329314686 QGUNOXDLZPMQDF-HNNXBMFYSA-N 324.384 2.810 0 40 DFAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 47339170 FCVMTDVGCDDLBF-BQYQJAHWSA-N 316.382 2.819 0 40 DFAB CCCO[C@@](C)(CC)C(=O)Nc1cnc(OCCOC)c(C)c1 225904074 FLDOCBRLCUOHAK-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB O=C(NCc1nc2ccccc2n1C1CC1)C1CCC(O)CC1 194566066 ISWKYSLIXZHCAX-UHFFFAOYSA-N 313.401 2.539 0 40 DFAB CCS(=O)(=O)c1ccc(NC[C@H](O)c2cccc(C)c2)cc1 225521187 XDWHUJMYWDKUML-KRWDZBQOSA-N 319.426 2.934 0 40 DFAB CCN1C[C@H](COC)[C@]2(CCN(CCc3ccccc3)C2)C1 96215510 MYNAXDYPBHQZMW-RTBURBONSA-N 302.462 2.519 0 40 DFAB CC(C)(C)c1cnc(Cn2nc(C(F)(F)F)ccc2=O)o1 95437169 BURWMZYAIXPAJM-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB CCO[C@H]1C[C@@H](OC(=O)c2ccc(C)[nH]c2=O)C12CCCC2 96420406 IQGRRMSBLHSMIO-UONOGXRCSA-N 305.374 2.578 0 40 DFAB CN(C)c1ccnc(CNC(=O)Nc2cccc(Cl)c2)n1 96121026 LAMWRFRCBVCKOZ-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB CCN1CCn2c(C)cnc2C12CCN(Cc1ccoc1)CC2 96037053 SNKSBWQRKVVZQX-UHFFFAOYSA-N 314.433 2.611 0 40 DFAB CN(C1CCC1)S(=O)(=O)c1c(F)cccc1Br 96470329 HUIRBLQIBVKNDF-UHFFFAOYSA-N 322.199 2.761 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccccc2)C1 96432372 UJWFKAUNYGHCRY-HUUCEWRRSA-N 320.458 2.549 0 40 DFAB Cc1nnc(O)c(C(=O)NCCc2cc3ccccc3o2)c1C 96417082 UDWQVJGBGIVEAN-UHFFFAOYSA-N 311.341 2.518 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H]1CCc2ccc(F)cc21 96421538 PSSLEQYURXJJIU-MIGQKNRLSA-N 318.392 2.926 0 40 DFAB c1ccc(OC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2ccoc2)nc1 97954097 BTOLSDAYMMHSTF-YESZJQIVSA-N 314.385 2.733 0 40 DFAB Cn1cncc1-c1nccnc1[C@H]1CCCN(C2CCCC2)C1 257267148 MGDONDHTPIHUDE-AWEZNQCLSA-N 311.433 2.999 0 40 DFAB CNc1cccc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257235976 HAHYNILHEWVOFW-DVQDXYAYSA-N 323.396 2.737 0 40 DFAB O=C(c1ccccn1)N1CCO[C@H](Cc2ccccc2Cl)C1 257215612 CQWFRFDPSOEOLQ-CQSZACIVSA-N 316.788 2.819 0 40 DFAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(C)C)CC2 585104277 XYNCVKPGGVYKCN-INIZCTEOSA-N 306.450 2.848 0 40 DFAB COc1cc(C(=O)N(C)C)ccc1OCc1csc(C)n1 30806226 HRWAISOQRVFPTA-UHFFFAOYSA-N 306.387 2.741 0 40 DFAB COC1CCN(Cn2ncc3c(Br)cccc32)CC1 69701313 UFGIKVLLJNARHI-UHFFFAOYSA-N 324.222 2.867 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(Cn2ccnc2)c1 51257954 BUNVWILTGMOSOM-OAHLLOKOSA-N 320.396 2.950 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)CCNC(=O)OC(C)(C)C 53190243 ZRAYFVISMZZNPJ-LBPRGKRZSA-N 324.396 2.788 0 40 DFAB c1ccc([C@H]2C[C@@H]2CNCc2cccnc2N2CCOCC2)cc1 89828034 AZYFDMNNWHJGKY-RTBURBONSA-N 323.440 2.812 0 40 DFAB C[C@@H](O)C1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 84636622 ARXDGHDVWCPXTL-MLGOLLRUSA-N 322.836 2.538 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(=O)[nH]1 75119031 XVYSIGLIZZXBCL-ZDUSSCGKSA-N 318.373 2.789 0 40 DFAB CN(C)C[C@H]1CN(Cc2ccc(Cl)c3cccnc23)CCO1 75605777 YODKOKKWAGZWPT-AWEZNQCLSA-N 319.836 2.651 0 40 DFAB Cc1ccc(N2CCC(Nc3cncc(Cl)n3)CC2)nc1 76063416 UVYRJKRLXXMVMJ-UHFFFAOYSA-N 303.797 2.914 0 40 DFAB Cc1cccc(C(=O)N[C@@H](c2n[nH]c(=S)n2C)C(C)C)c1 5519720 XFOSKHHPQFBVCH-GFCCVEGCSA-N 304.419 2.913 0 40 DFAB COc1cccc(NC(=O)COC(=O)Cc2ccccc2C)c1 5086776 WWLMCQISLFNYRG-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccccc1 19958809 ZMGNQDHWLFSRMZ-UHFFFAOYSA-N 306.369 2.771 0 40 DFAB C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cccc(N2CCCC2)c1 158598636 SNFQJTODAXEKQP-MCMMXHMISA-N 323.462 2.518 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(Cl)c1 133123920 SELWIEQXHZIJIL-GFCCVEGCSA-N 312.728 2.670 0 40 DFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)[nH]1 14198602 SPXSJNJXOMMLIZ-QGZVFWFLSA-N 319.405 2.561 0 40 DFAB CCOc1ccc(NC(=O)c2n[nH]cc2Br)cc1 28236797 XEAITFBZZKQMIE-UHFFFAOYSA-N 310.151 2.823 0 40 DFAB Cc1ccc(Cc2nnc(Nc3cccc(F)c3)[nH]c2=O)cc1 5154320 AICUBCHYCMUTEM-UHFFFAOYSA-N 310.332 2.947 0 40 DFAB C[C@@H]1CCc2sc(NC(=O)c3ccco3)c(C(N)=O)c2C1 5919972 QXLKHYAIEHTQSU-MRVPVSSYSA-N 304.371 2.817 0 40 DFAB CN(CCF)[C@@H]1COC2(CCN(CCc3ccccc3)CC2)C1 2055835574 JUICWWHZTSXGRV-SFHVURJKSA-N 320.452 2.754 0 40 DFAB CCc1nnc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)s1 30560351 RVRDHGAEBQFHIN-UHFFFAOYSA-N 317.349 2.678 0 40 DFAB Cc1noc(Cn2cnc3scc(-c4ccccc4)c3c2=O)n1 40487942 CHSFVJULTSQZQQ-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccsc1 40493718 YHNHWUTWZNHYLJ-GXFFZTMASA-N 300.383 2.756 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1cccc(C)c1)CC(C)C 31704865 YJDYMXRFJWBLGF-OAHLLOKOSA-N 306.406 2.886 0 40 DFAB O=C(NC1CCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 20509279 GOGUBDCYTDDTSB-CQSZACIVSA-N 302.403 2.697 0 40 DFAB O=C(NCc1ccco1)c1ccc(C(=O)NCc2ccco2)cc1 321472 QUKOGOJUPVYWHS-UHFFFAOYSA-N 324.336 2.733 0 40 DFAB Cn1cc(C(=O)OCc2csc(-c3cccs3)n2)cn1 32777215 HCCHJIYCIYJCSE-UHFFFAOYSA-N 305.384 2.962 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)O)c2)c1 98135 HKECJAFPUIWIPE-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB O=C(NC(=O)Oc1ccccc1)Nc1ccccc1C(=O)O 138590 ARXNYILQLKCAAD-UHFFFAOYSA-N 300.270 2.705 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1cccnc1Cl 2629932 ZCZKAMBXXCOXDZ-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB CCOc1ccc2cc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)[nH]c2c1 76050500 ZHIGWASINUVTKM-PXAZEXFGSA-N 315.417 2.589 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c2ccc(F)cc2n1 76050967 CEZCBQUYJGMQHW-DIFFPNOSSA-N 315.392 2.704 0 40 DFAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 533053 ULMGNNFJGOAZQX-OPAMFIHVSA-N 320.329 2.779 0 40 DFAB C[C@@H](c1nc(Cc2ccccc2)no1)[S@@](=O)c1nccs1 78987549 VQMHUPSIZRFKOZ-CWKPULSASA-N 319.411 2.986 0 40 DFAB C[C@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2S1 79071179 DXUVLKNNLUARDJ-LBPRGKRZSA-N 304.415 2.526 0 40 DFAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(Cl)c[nH]2)cc1 22159891 QCJLILFCIIHEJF-GFCCVEGCSA-N 306.749 2.922 0 40 DFAB COc1ccc(CCNC(=O)CSc2nc(C)cs2)cc1 3413867 RLEMBYOLMDUXJZ-UHFFFAOYSA-N 322.455 2.911 0 40 DFAB CC(C)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 7212263 INQHGUKILPUEAE-VIFPVBQESA-N 306.225 2.772 0 40 DFAB Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2COCCO2)c1 71910503 FIJAAWXZGPPDLE-DLBZAZTESA-N 303.402 2.854 0 40 DFAB Cc1cccc([C@@H](C)NC(=O)N[C@@H](C)Cn2ccnc2)c1C 71909186 SPJRZZKHHBQWBK-DZGCQCFKSA-N 300.406 2.949 0 40 DFAB CNC(=O)c1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 42902593 LLALPSOSOHSFMY-UHFFFAOYSA-N 324.384 2.628 0 40 DFAB Cn1ccc(NC(=O)/C=C/c2cccc(Br)c2)n1 12567347 SSBDQBMWHVIWLI-AATRIKPKSA-N 306.163 2.835 0 40 DFAB O=C1O[C@@H](C(=O)Nc2cccc3cccnc23)Cc2ccccc21 9550062 UBZCYPJZLHJIMC-MRXNPFEDSA-N 318.332 2.955 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(O)n3nccc3n2)C1 101928730 SOWNZMVKUDOWGC-LLVKDONJSA-N 318.377 2.549 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)C[C@H]2CCCO2)cc1Cl 56151674 CALQKRGVCJWWTL-GFCCVEGCSA-N 324.808 2.987 0 40 DFAB CCOc1cc(/C=C/C(=O)NCc2cccnc2)ccc1OC 21273489 DYBAHJUMBJXEQW-VQHVLOKHSA-N 312.369 2.819 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)CCNc1ccccc1C 57287676 FXAAHBYQBZKJPG-HNNXBMFYSA-N 306.406 2.501 0 40 DFAB C[C@@H](NC(=O)c1cnc2ccccc2n1)c1nc2ccccc2[nH]1 12549849 XJUDXFYJDVYOGA-LLVKDONJSA-N 317.352 2.997 0 40 DFAB Cn1cnnc1SCc1nc2ccccn2c1Br 12523876 CCPDZPSBULJQPL-UHFFFAOYSA-N 324.207 2.518 0 40 DFAB CCN1CCN([C@H]2CCN([C@H](C)CCc3ccccc3)C2)CC1 108348305 OYWBNEVZRPDTGU-QUCCMNQESA-N 315.505 2.720 0 40 DFAB COc1ccc2c(CC(=O)Nc3cc(C)ccn3)cc(=O)oc2c1 58289858 YKOHUQTUTGQFRP-UHFFFAOYSA-N 324.336 2.686 0 40 DFAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 27914532 KJQVNMBDOSPILV-GXFFZTMASA-N 301.308 2.932 0 40 DFAB CC(C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 69951768 YWKSNJDUEQSMGH-UHFFFAOYSA-N 324.852 2.955 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N(C)C)c1 3315607 SQSYEFDPTUPUJX-BBRMVZONSA-N 318.417 2.604 0 40 DFAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 12874826 OJLWVYXCNVULBE-CYBMUJFWSA-N 317.316 2.863 0 40 DFAB COc1cc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)ccn1 249048321 HOQSPBWDARAHSL-DGXTUMSLSA-N 315.417 2.714 0 40 DFAB O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCc2ccccc2C1 13320518 DZBVURCIHOWYTG-MMADZMRASA-N 313.397 2.708 0 40 DFAB CC(C)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccon2)cc1 14047577 YNXJQKYLIPCSTA-VMPITWQZSA-N 314.341 2.993 0 40 DFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1 14141300 YLOBVBCZCBNNBA-UHFFFAOYSA-N 318.323 2.896 0 40 DFAB CC[C@@](C)(NC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC 65610012 ZOTOSXNZZZRULH-QGZVFWFLSA-N 323.389 2.554 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 4679969 YSXSBGVBEQGPRQ-HWWQOWPSSA-N 324.446 2.748 0 40 DFAB Cn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 5730902 HVYCMVQMVPIHKX-UHFFFAOYSA-N 312.300 2.636 0 40 DFAB O=c1[nH]nc(SCc2cscn2)n1CCc1ccccc1 6851386 JZBRMVYHLSUYQO-UHFFFAOYSA-N 318.427 2.563 0 40 DFAB CCC[C@H](C)CC(=O)NCC1(N2CCCCC2)CCOCC1 71896781 DUYYJTOFKYQENQ-INIZCTEOSA-N 310.482 2.964 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]c2ncccc12 71870469 PSECXDLJRMPDSZ-CVEARBPZSA-N 312.417 2.652 0 40 DFAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N(C)C)cc1 15860094 DZDHMYMYVXIWLQ-HNNXBMFYSA-N 302.374 2.629 0 40 DFAB CC(=O)c1ccc(OCCCC(=O)O[C@H]2CCCC2=O)cc1 7780155 LGEASPSKFXWRMN-INIZCTEOSA-N 304.342 2.713 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)cc2n1 69490033 CIXNJRMQMSJXKM-GJZGRUSLSA-N 313.401 2.835 0 40 DFAB COC(=O)[C@H](NC(=O)CCc1ccco1)c1cc(F)ccc1F 69533578 JUZOZDFMDSXGOR-OAHLLOKOSA-N 323.295 2.521 0 40 DFAB CC(C)Cc1nnc([C@H](C)N2CCN(c3nccs3)CC2)o1 69595287 QRMQZGZGHRKVSB-LBPRGKRZSA-N 321.450 2.608 0 40 DFAB CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)n[nH]3)cc(C)nc21 69699516 DVCJKFSMHVRIRU-LLVKDONJSA-N 312.377 2.995 0 40 DFAB Cc1ccc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)co2)cc1 69669103 PKQGWNGJEFQFDR-QGZVFWFLSA-N 323.400 2.906 0 40 DFAB O=C(NCc1ccccc1)NCc1ccc(OCC2CC2)nc1 72056536 BTFIYCJLCMDCNP-UHFFFAOYSA-N 311.385 2.870 0 40 DFAB Cc1ccc(-c2ccc(C(=O)OC[C@H]3CCC(=O)N3)s2)o1 97081424 BLDFHAVBYHSUKP-SNVBAGLBSA-N 305.355 2.752 0 40 DFAB CN(C)CCNC(=O)Nc1ccc(Sc2ccncc2)cc1 97052259 WFUVOECWAQEROZ-UHFFFAOYSA-N 316.430 2.916 0 40 DFAB Cc1cc(C)nc(NC(=O)NCCC(=O)Nc2ccccc2)c1 97142958 YYLIQYSQMLFZTC-UHFFFAOYSA-N 312.373 2.849 0 40 DFAB CCc1cnc(CNC(=O)NC[C@@H]2CCO[C@H]2C(C)C)s1 95408209 VVUZFJZGKSGYNY-FZMZJTMJSA-N 311.451 2.566 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](C)c1ccncc1 95978993 DMEUYELZMILVKD-VXGBXAGGSA-N 300.406 2.835 0 40 DFAB CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1sccc1SC 89385909 UBAPRNVTPYZSLE-VHSXEESVSA-N 312.460 2.505 0 40 DFAB COC(=O)c1cccc(CNC(=O)NCc2ccsc2)c1 89406919 GSWFNOURAPBWGH-UHFFFAOYSA-N 304.371 2.534 0 40 DFAB C[C@@]1(NC(=O)Nc2cc(-n3cccc3)ccc2F)CCOC1 89919489 SZAICHQOXQQRMH-MRXNPFEDSA-N 303.337 2.917 0 40 DFAB O=C(O)[C@H]1CCC(=O)N(CCc2cccs2)[C@@H]1c1ccco1 75584245 CQEBFVJGZLZDPY-WFASDCNBSA-N 319.382 2.948 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)NC1CCCC1 75605006 SJYROKMNDVKCMC-ZDUSSCGKSA-N 324.856 2.578 0 40 DFAB COc1ccc(-c2cc(CNC(=O)c3ccccn3)no2)cc1 38753654 ZXFWMXRWLOOSTD-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB CSc1nnc(NC(=O)COc2cccc(C)c2C)s1 39989082 APDOQSBZCYGYHN-UHFFFAOYSA-N 309.416 2.894 0 40 DFAB Cc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)no1 33795662 MZUNAYYKBFTXBI-UHFFFAOYSA-N 307.353 2.826 0 40 DFAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)o1 72227293 BTPUKKOAFJDXJH-OLZOCXBDSA-N 321.174 2.766 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1cnn(C)c1 24480824 GDKWLNMCFABDFG-UHFFFAOYSA-N 322.412 2.786 0 40 DFAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(-c2ccccc2)n[nH]1 32610334 LUAWUDWRWUIPBJ-STQMWFEESA-N 311.341 2.682 0 40 DFAB O=C(O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 11568029 KWFUNMMLFIRHPD-LBPRGKRZSA-N 301.321 2.584 0 40 DFAB O=S(=O)(Nc1ccncc1)c1ccccc1Br 37385855 ALTIFBVYMHZSIC-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB COc1ccc(NC(=O)CCc2cnn(C)c2C)cc1Cl 32610288 UCOLJPSXKMTBKK-UHFFFAOYSA-N 307.781 2.962 0 40 DFAB COc1ccc(CN2CCC(O)(c3cccnc3F)CC2)cc1 72339994 SAHGZESVXVDDPQ-UHFFFAOYSA-N 316.376 2.713 0 40 DFAB Cc1nccn1CCCNC(=O)[C@H]1SCCc2ccccc21 79679180 MRTVHRLYZPUSLO-INIZCTEOSA-N 315.442 2.728 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)ncn3C)cc1 70974557 QRCAPPUETCJPSL-UHFFFAOYSA-N 302.355 2.649 0 40 DFAB O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1S 40175421 KMXAIRFDABCTQP-UHFFFAOYSA-N 324.409 2.670 0 40 DFAB O=C(O)c1ccccc1CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 568648011 BGLKHRVYDKQOPT-ZWKOTPCHSA-N 317.429 2.800 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NC[C@H]2CCCO2)c1C 225318853 DBYOKDBNKJESKE-GFCCVEGCSA-N 322.430 2.637 0 40 DFAB Cc1cc(COCC(=O)N2CC(C)(C)Oc3ccccc32)on1 193787118 DWHKFUQTZFOZEE-UHFFFAOYSA-N 316.357 2.704 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2F)cc1 225444203 GDJMKOGYYNPDEZ-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2CCCCCC2)n1 225886809 JIWDBRWCBGTMOW-UHFFFAOYSA-N 307.467 2.862 0 40 DFAB CO[C@](C)(C(=O)Nc1ccc(OCCCN(C)C)cc1)C1CC1 225644149 ATSOZDVMHCUHRQ-SFHVURJKSA-N 320.433 2.771 0 40 DFAB Cc1nc(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)no1 96424426 XXDJONWJFBSMJK-HNNXBMFYSA-N 307.369 2.709 0 40 DFAB Cc1nc(NC(=O)N(C)Cc2cnc(C(C)C)nc2)oc1C 578422168 CZZNRCPIUQIPCV-UHFFFAOYSA-N 303.366 2.869 0 40 DFAB C[C@@](O)(CNC(=O)Cc1cccs1)c1ccccc1Cl 97379009 AVERUQSWMNTMPV-OAHLLOKOSA-N 309.818 2.968 0 40 DFAB Cc1cc(C)cc(-n2nc(NC(=O)N[C@@H](C)CCO)cc2C)c1 96495645 TYJUFGVRGREJAT-ZDUSSCGKSA-N 316.405 2.690 0 40 DFAB CSC[C@@](C)(O)CNC(=O)CCc1ccc(Cl)s1 96414706 KWZQHBPZWQZZPB-LBPRGKRZSA-N 307.868 2.564 0 40 DFAB O=C(O)CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CC1 94598248 DSKRHZBTKZDIIV-UHFFFAOYSA-N 305.227 2.534 0 40 DFAB C[C@H](CNCc1cnn(C)c1)Oc1ccccc1Br 96452785 QCFYUNDGRABYJE-LLVKDONJSA-N 324.222 2.740 0 40 DFAB O=C1C[C@]2(CCCCN2C(=O)CC2CCCC2)CN1CC1CC1 96071713 UHHKAPDOWXMOKI-LJQANCHMSA-N 318.461 2.960 0 40 DFAB CCCCNC(=O)Nc1cccc(C[S@](=O)CCOC)c1 96409019 UUNHMMLNOHMDKY-NRFANRHFSA-N 312.435 2.503 0 40 DFAB CN(C)c1ccccc1CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 245343990 WVMYXLHPPPNVKY-DLBZAZTESA-N 324.490 2.540 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c1 256046891 IRPQWFTXPASGIS-UHFFFAOYSA-N 300.362 2.510 0 40 DFAB Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)C2)ccc1S(C)(=O)=O 252489921 KEZALKWOVLIURL-CMPLNLGQSA-N 310.419 2.709 0 40 DFAB Cc1c(C(=O)NCCCc2cnoc2)cnn1-c1ccccc1 252498512 RDRGVNVIIQIYSI-UHFFFAOYSA-N 310.357 2.531 0 40 DFAB COc1cccc(CN2CC[C@@H](c3nccc(C)n3)C2)c1F 257279089 OEZIXZMNKXKJKI-CQSZACIVSA-N 301.365 2.922 0 40 DFAB C[C@H]1CCC[C@@H](c2nc(CC(=O)NCc3ccco3)no2)C1 350685947 PVVGGEOJQBUXCL-NWDGAFQWSA-N 303.362 2.815 0 40 DFAB O=S(=O)(CCC(F)(F)F)NCc1ccc(-c2ccco2)o1 575604777 FGVFWPCUFYKFSL-UHFFFAOYSA-N 323.292 2.911 0 40 DFAB Clc1cc2c(cc1NCc1nc(C3CC3)no1)OCCO2 55829969 IAARENABHSQDSP-UHFFFAOYSA-N 307.737 2.984 0 40 DFAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)C(C)(C)C)CC1 72394641 HECJSODOGQBDLZ-ZDUSSCGKSA-N 323.462 2.605 0 40 DFAB COc1cccc(CNc2nnc(-c3ccco3)o2)c1OC 95445175 VMNSOTHOBVGBGZ-UHFFFAOYSA-N 301.302 2.959 0 40 DFAB COc1ccc(CCN[C@H]2CCSC2)cc1OC(F)F 95967589 PIAKIULXIGRXES-NSHDSACASA-N 303.374 2.934 0 40 DFAB CC1CCN(C(=O)[C@@H]2CCCN(Cc3cncs3)C2)CC1 95982830 YTUCQLIYVVIVMS-CQSZACIVSA-N 307.463 2.614 0 40 DFAB Cc1n[nH]c(Nc2cc(C(F)(F)F)ccc2Cl)nc1=O 5154494 LUEXRZBFBSJSMW-UHFFFAOYSA-N 304.659 2.889 0 40 DFAB O=C(O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156590 AXLCCZAUYARXHB-CYBMUJFWSA-N 307.321 2.590 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13005075 IDECCHQBBLDUDH-KBPBESRZSA-N 316.357 2.641 0 40 DFAB COc1cc2cc(CNC3CCCCC3)c(=O)[nH]c2cc1OC 13998469 YEUGIJHZPIROJH-UHFFFAOYSA-N 316.401 2.968 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17042994 RPCCGGOYLVIODQ-UHFFFAOYSA-N 310.353 2.531 0 40 DFAB Nc1nc(COC(=O)CCc2ccsc2)nc2ccccc12 18337690 VICBAQWEVCMXOZ-UHFFFAOYSA-N 313.382 2.950 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3CCCCCC3)C2=O)c(C)c1 19132570 QSWRDZJGRGVPLC-INIZCTEOSA-N 300.402 2.811 0 40 DFAB COc1ccc2cc3c(nc2c1)O[C@H](C)C(=O)N(C1CCC1)C3 19462003 SKWBEMIYQOIEJV-LLVKDONJSA-N 312.369 2.905 0 40 DFAB Cc1c(C(=O)Nc2cccnc2Cl)nnn1-c1ccccc1 19910914 ZJQYNFVTKLKUKP-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB O=C(COC(=O)c1n[nH]c2ccccc12)NC1CCCCCC1 4825215 BBMIRAJMGWVJMV-UHFFFAOYSA-N 315.373 2.559 0 40 DFAB COc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1F 6053076 IHXRQQUTKSABEI-UHFFFAOYSA-N 306.337 2.589 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1nnc(-c2ccccc2)o1 8265964 DUABRQZXVSXFES-UHFFFAOYSA-N 311.341 2.556 0 40 DFAB Cc1ncnc(NC2CN(c3cc(C(F)(F)F)ccn3)C2)c1C 1888844424 ZXFFUOCPKHLBEH-UHFFFAOYSA-N 323.322 2.808 0 40 DFAB OC[C@@]12CCC[C@H]1CN(c1ncnc(-c3ccccc3)c1F)C2 1888868567 IZDCMBPFAIJMTL-KSSFIOAISA-N 313.376 2.882 0 40 DFAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1F 5153360 HLMIEOGNHKNOQQ-UHFFFAOYSA-N 310.328 2.913 0 40 DFAB CCOc1cccc(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)c1O 11694735 BIAGSWAZCWYFTR-UHFFFAOYSA-N 313.313 2.736 0 40 DFAB Cn1cc([C@@H]2CN(C(=O)c3ccoc3)Cc3ccccc32)cn1 575618285 GIIIGLURDZBCEP-KRWDZBQOSA-N 307.353 2.801 0 40 DFAB Cc1cc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nc(C2CC2)n1 341507754 VWODUKUBIZLYMV-AWEZNQCLSA-N 316.449 2.794 0 40 DFAB COc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCCO)cc1 9317538 RXJJVPFURZFYRL-MSUUIHNZSA-N 320.414 2.684 0 40 DFAB CC[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)c1ccccc1 40071734 ZLMGBKAIJMWLLP-GJZGRUSLSA-N 310.463 2.747 0 40 DFAB Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)C1=C(COC1=O)N2 20086459 OMGRRSXUTCGXSO-LBPRGKRZSA-N 301.733 2.740 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21 100495486 OTYOVLUCRNEYJN-UHFFFAOYSA-N 308.337 2.979 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Br)cc1 100506165 YUEDCDKDCJUXEG-RYUDHWBXSA-N 306.159 2.905 0 40 DFAB O=C(NCc1ccco1)NC[C@H](c1cccs1)N1CCCC1 40474230 HIQOYZNZPWIVQU-CQSZACIVSA-N 319.430 2.977 0 40 DFAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(O)nn1 31422782 WJGHOAYBNNVTTO-UHFFFAOYSA-N 319.364 2.744 0 40 DFAB CC(C)Cc1ccc([C@H](O)Cn2cnc3ncccc3c2=O)cc1 51283339 NWMHFKZLSDPUJC-QGZVFWFLSA-N 323.396 2.724 0 40 DFAB CC(C)CNC(=O)[C@]1(C(C)C)NC(=O)c2ccccc2S1 41128163 UELOUFPZTUAAGA-MRXNPFEDSA-N 306.431 2.647 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869270 DGKFYTURLMNQPH-UHFFFAOYSA-N 313.357 2.690 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1cc(C)oc1C)c1ccccc1 32820946 YIVKMJMWSBFZKP-OAHLLOKOSA-N 301.342 2.931 0 40 DFAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCOc2ccccc21 32923098 JYKQUNWGBPSBDS-UHFFFAOYSA-N 306.321 2.567 0 40 DFAB FC(F)(F)c1nnc2n1CCN[C@@H]2c1ccc(Cl)cc1 1857794495 NWAWUCBNQWXPPC-SECBINFHSA-N 302.687 2.643 0 40 DFAB Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 386721 SCUZGRAOHFBLIE-UHFFFAOYSA-N 315.804 2.885 0 40 DFAB Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCc2ccccc21 8726571 KCVCDNVFWPYLKB-GOSISDBHSA-N 322.408 2.919 0 40 DFAB CN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 41614321 PGPJRFKIRNGEAN-HNNXBMFYSA-N 315.417 2.577 0 40 DFAB CCCCN(C)C(=O)c1cc2c(=O)n3ccccc3nc2s1 3910167 DGEGCKLCPBHXHF-UHFFFAOYSA-N 315.398 2.781 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccc(F)cc1F 22901103 JWRBKBZVERXCRE-UHFFFAOYSA-N 307.344 2.516 0 40 DFAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1C 7603628 STKBDXJFDVJZAM-GHXNOFRVSA-N 306.343 2.913 0 40 DFAB C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 10017424 ZIVWUWUVFCPNRJ-ZDUSSCGKSA-N 311.385 2.569 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)OCc1ccccc1 8306455 ZIVRTQYEYVIUFW-GDBMZVCRSA-N 318.417 2.998 0 40 DFAB COCCCNC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC 42901185 YRBDISIMQLNVBU-OAHLLOKOSA-N 322.405 2.587 0 40 DFAB Fc1cccc(Cl)c1CN1CCC[C@@H](Cn2cncn2)C1 105883028 MYIMBKZSZASQQF-GFCCVEGCSA-N 308.788 2.983 0 40 DFAB O=C(NC1CCC(O)CC1)N[C@@H]1CCc2cc(Cl)ccc21 55089427 LQAUFLVCSWHOEA-SSDMNJCBSA-N 308.809 2.930 0 40 DFAB Cc1cc(C(F)(F)F)n(-c2nc(Cn3cccn3)cs2)n1 1395457 BKQSCZMAYWPGQR-UHFFFAOYSA-N 313.308 2.901 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)COc2ccccc2C)C12CCC2 72295477 FIVFXGOULJDQBT-CVEARBPZSA-N 303.402 2.838 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)C1(c2ccc(Cl)cc2)CC1 25255266 WTJKZCVIQFMKKL-UHFFFAOYSA-N 322.836 2.745 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cccs1 72298345 CNKRAHQNWHVJND-CJNGLKHVSA-N 305.447 2.966 0 40 DFAB Cn1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1 107056258 XDQQJHYKNMTKIZ-UHFFFAOYSA-N 319.453 2.730 0 40 DFAB COc1ccc(CNC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 27344429 WEVQSBHUTLYNFG-UHFFFAOYSA-N 324.384 2.913 0 40 DFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1 58008644 FXYCQEQRMIRBQD-ZJUUUORDSA-N 316.323 2.738 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nc2ccccc2c2nc(C)nn12 58004299 ZXUASQIFCYAXKK-SECBINFHSA-N 316.386 2.630 0 40 DFAB O=C(NC[C@H]1COCCO1)Nc1ccccc1-c1ccccc1 56544628 VWMVPLVUYGUWNF-HNNXBMFYSA-N 312.369 2.891 0 40 DFAB Cc1cc(C(=O)OCc2cc(C)on2)c2cnn(C(C)C)c2n1 10208287 ZSOIWNDHOZGTHE-UHFFFAOYSA-N 314.345 2.974 0 40 DFAB CNC(=O)c1ccc(OCc2cc(C(C)=O)ccc2OC)cc1 58232413 QVGYVSXWYNDCPX-UHFFFAOYSA-N 313.353 2.836 0 40 DFAB O=c1c2ccccc2ncn1Cc1ccn(-c2cccc(F)c2)n1 58228723 TYNRJFPULYSFEO-UHFFFAOYSA-N 320.327 2.770 0 40 DFAB CCCCCNC(=O)Nc1ccc(CN2CCOC2=O)cc1 58342608 MFCJZEONLLJRRQ-UHFFFAOYSA-N 305.378 2.951 0 40 DFAB Cc1ccccc1C1(CNC(=O)N2CC[C@]3(CCOC3)C2)CC1 84235197 IBXJPOHBFVCLMD-SFHVURJKSA-N 314.429 2.849 0 40 DFAB O=C(Cc1ccc(Cl)nc1)Nc1ccnn1Cc1ccco1 95394656 LMLYVGPMCJPGPS-UHFFFAOYSA-N 316.748 2.754 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3315392 LZUUXOQNJKYGLU-UHFFFAOYSA-N 318.760 2.517 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)o1 48310898 IGBYOVJRRHJJDC-SNVBAGLBSA-N 319.386 2.668 0 40 DFAB Cc1cccc(OCCNS(=O)(=O)/C=C/c2ccccc2)c1 48332781 AUWFIGLNLYYBHZ-JLHYYAGUSA-N 317.410 2.964 0 40 DFAB COC(=O)c1c(NC(=O)CN2CCC[C@@H](C)C2)sc(C)c1C 3564776 ASMCNHFXXYEVFX-SNVBAGLBSA-N 324.446 2.822 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccsc2)no1 8945595 BAJRPBPGYNXMNR-UHFFFAOYSA-N 311.322 2.594 0 40 DFAB C[S@](=O)c1ccc(NC(=O)Cc2ccc(O)cc2Cl)cc1 97236729 VVBNXPJPNZLQPO-OAQYLSRUSA-N 323.801 2.964 0 40 DFAB CNC(=O)COc1ccccc1CNCCC1=CCCCC1 65540420 MAZWDMXQKWKGSP-UHFFFAOYSA-N 302.418 2.792 0 40 DFAB O=C(O)CCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14119220 TWERDVQDHVXYGI-UHFFFAOYSA-N 303.289 2.823 0 40 DFAB c1coc(-c2cc(-c3nc4c5ccccc5ncn4n3)n[nH]2)c1 4632269 SQSJCETXKOJMRI-UHFFFAOYSA-N 302.297 2.928 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 409280760 KVPQKHBBBQJARH-YXMPFFBPSA-N 324.163 2.826 0 40 DFAB O=C(C[C@H]1C=CCC1)NCc1ccc(N2CCOC2=O)cc1 96008788 NKIXOEZQLVKICB-ZDUSSCGKSA-N 300.358 2.616 0 40 DFAB COc1ccc(C)cc1CCNC(=O)c1ccc2[nH]cnc2c1 15176026 USDUVMJNBPPIPU-UHFFFAOYSA-N 309.369 2.852 0 40 DFAB CCN(CC)C(=O)CSc1ncccc1Br 96411987 KQVNHODDPDKOMU-UHFFFAOYSA-N 303.225 2.805 0 40 DFAB CCc1c(NC(=O)N2CCO[C@@H](C)[C@@H]2C)cnn1CC(C)C 96499592 BMIYOYAHAGMRSU-STQMWFEESA-N 308.426 2.743 0 40 DFAB CSc1nccn1CCCS(=O)(=O)c1cccc(C)c1 97379484 CHFIBROIYZKBTK-UHFFFAOYSA-N 310.444 2.777 0 40 DFAB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 8117231 JQFIZOKYSAAALV-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1nc2ccccc2[nH]1 8231143 AKKSUPPUXUSTEJ-AWEZNQCLSA-N 307.309 2.803 0 40 DFAB O=C(Cc1ccccc1F)NCCCN1CCc2ccccc21 29520571 OHTPQJYRIADOOA-UHFFFAOYSA-N 312.388 2.937 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccccc1C(F)(F)F 69373837 MGIMRORVQGKWBX-SMDDNHRTSA-N 313.323 2.614 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc2N1 69452471 OHIMWYOLGBISIA-WMLDXEAASA-N 321.380 2.871 0 40 DFAB Cc1cnn(C[C@@H](C)N[C@@H](C)c2nc(-c3ccccc3)no2)c1 69629766 LAVKAEQIRVMYFQ-KGLIPLIRSA-N 311.389 2.981 0 40 DFAB C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1cccnc1 69631656 XKYWUNRGTDAPTK-QMMMGPOBSA-N 316.304 2.538 0 40 DFAB COc1ccc([C@@H](C)COC(=O)c2ccc(C)[nH]c2=O)cc1 91896060 RVXMZBRYFLBONZ-NSHDSACASA-N 301.342 2.652 0 40 DFAB COc1ccnc(C(=O)Nc2cc(C)c(Br)cn2)c1 84114887 LCVVSCYYQVUDAE-UHFFFAOYSA-N 322.162 2.808 0 40 DFAB COc1ccccc1OCCNC(=O)c1cc2ccccc2[nH]1 18075308 RDWJHGPSVIOIEP-UHFFFAOYSA-N 310.353 2.985 0 40 DFAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](n2ccnc2)C1 69917638 DWGFBUBJWRSVSF-GVDBMIGSSA-N 313.376 2.989 0 40 DFAB C[C@@H](COc1ccc(F)cc1)N[C@H]1CCCc2c1cnn2C 95420706 NFOAUFDDXQJMSI-LRDDRELGSA-N 303.381 2.994 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCCOC2)cc1 98013932 HRWDHORXOMUAKJ-ZACQAIPSSA-N 303.402 2.758 0 40 DFAB CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(C)on3)ccc2NC1=O 95985476 VXJKAHRAAGMOLH-ABAIWWIYSA-N 315.373 2.943 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C(=O)O)n1 95969692 PZOYSTKBDAYHFX-CYBMUJFWSA-N 316.382 2.991 0 40 DFAB Cc1ccc(C)c(N2N=C(C(=O)NC3CC(C)C3)CCC2=O)c1 95963131 UIWMHVIRZXMDGY-UHFFFAOYSA-N 313.401 2.701 0 40 DFAB CCOc1nccnc1N1CCN(c2cccc(Cl)c2)CC1 95985545 ZIXXBWGKVKWEBS-UHFFFAOYSA-N 318.808 2.855 0 40 DFAB COC(=O)c1ccc(N2CCO[C@H](c3ccc(C)o3)C2)nc1C 95981622 QFNOKOCKSLRXJP-HNNXBMFYSA-N 316.357 2.656 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C1CC1)[C@H](C)c1ccccn1 95956249 ZDZXRFJUDWANEH-LLVKDONJSA-N 321.402 2.601 0 40 DFAB Cc1nc(CN2CCC[C@@H]2c2nnc3n2CCCCC3)oc1C 75143526 VARKJXWCGFTLDP-CQSZACIVSA-N 315.421 2.946 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2Cl)c(=O)[nH]1 75119995 SVNGYHDWMWNLGY-NSHDSACASA-N 304.777 2.698 0 40 DFAB Cc1cc(C)c2nc(NC3=NCN(C(C)C)CN3)nc(C)c2c1 20634427 RLUDPFFGUMWMSY-UHFFFAOYSA-N 312.421 2.552 0 40 DFAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1CCCC1 28233354 KGBSTZDYTSGARX-UHFFFAOYSA-N 301.312 2.792 0 40 DFAB O=S1(=O)c2ccc(Br)cc2[C@H](O)CC12CCC2 306145353 CGCGLJGNXNNKOJ-SNVBAGLBSA-N 317.204 2.583 0 40 DFAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)N1CCCc2ccccc21 72270592 QDYUTXIFPFKXDZ-INIZCTEOSA-N 324.428 2.569 0 40 DFAB CCc1nc([C@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)cs1 78925597 OITSINRUWYPIDL-KOLCDFICSA-N 321.450 2.869 0 40 DFAB Cc1ccc([C@@H]2[C@@H](CO)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446205 OFPTXVRIANHEFN-KURKYZTESA-N 316.422 2.852 0 40 DFAB O=C(NCc1ccc(Cl)cn1)N1CCCC[C@@H]1c1cn[nH]c1 183466806 AYWFKUAMNDSGDX-CQSZACIVSA-N 319.796 2.895 0 40 DFAB Cc1cccc(NC(=O)c2nc(-n3ccnc3)ncc2Cl)c1 41157734 ABSTXKQYTFLHJC-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1ccc(CNC(=O)c2nnc3ccc(Cl)cc3n2)o1 46088568 UZVDFYNDFZXSHS-UHFFFAOYSA-N 302.721 2.510 0 40 DFAB Cc1cccc(-c2noc(CCC(=O)NCc3ccccn3)n2)c1 41184425 MMLNWXQSOPMQGA-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB NC[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C(F)(F)F 199784327 KGDLTOMAGOSJNX-CHWSQXEVSA-N 316.323 2.782 0 40 DFAB CCn1c(C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 573334460 WSGAMYIUCIEDGD-ZDUSSCGKSA-N 300.362 2.677 0 40 DFAB Cc1cc(CNc2ccc(CCO)cc2)ccc1-n1cncn1 86256986 VFVIDLTZXSQHMQ-UHFFFAOYSA-N 308.385 2.723 0 40 DFAB Cc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)c(Cl)c1 192333837 LLYPAVIIGVBSPR-UHFFFAOYSA-N 312.797 2.903 0 40 DFAB Cc1cc(NC(=O)NCCOC(C)C)nn1-c1cccc(F)c1 195562125 CWKLUTUHCAYRSR-UHFFFAOYSA-N 320.368 2.866 0 40 DFAB CCc1nc([C@@H](C)NCc2noc(C3CCOCC3)n2)cs1 97374496 MGALURBIWLDCCR-SNVBAGLBSA-N 322.434 2.833 0 40 DFAB O=C(O)CC1(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 583569533 CWISCJDFZRXXNW-AWEZNQCLSA-N 317.385 2.850 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1 96182837 AZGAGSMTVADNBS-CYBMUJFWSA-N 302.422 2.647 0 40 DFAB CO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(C)n2C)s1 96454148 WQVOSAZBKWRMSY-LLVKDONJSA-N 307.419 2.736 0 40 DFAB Cc1cc(C(=O)N2CCCCCCC2)nc([C@@H]2CCCN2C)n1 257285660 PIDVKHUCZPMKII-INIZCTEOSA-N 316.449 2.958 0 40 DFAB COc1ccc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)c(OC)c1 257321367 WBJOCKCWHQSHPH-AWEZNQCLSA-N 315.417 2.882 0 40 DFAB CCCC(=O)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257255484 KHRFHLIJUOSMDU-HNNXBMFYSA-N 300.402 2.986 0 40 DFAB O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCCc2occc21 263794511 OINQFJIUVZUFGA-AWEZNQCLSA-N 314.389 2.689 0 40 DFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(C)cc1O 9337098 CVXJTMGZWLVSFD-UHFFFAOYSA-N 312.369 2.632 0 40 DFAB c1ccc(OC[C@@H]2CN(Cc3ccoc3)Cc3ccnn32)nc1 585111983 JUJGJQDMMGPDGY-INIZCTEOSA-N 310.357 2.507 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1F 585168477 XPBIKIPWKHNKLK-CJNGLKHVSA-N 306.381 2.650 0 40 DFAB CS[C@@H](C)C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76060386 GOONBFLHEBTBKB-DTWKUNHWSA-N 321.368 2.886 0 40 DFAB COc1csc(C(=O)O[C@@H](c2cnn(C)c2)C(F)(F)F)c1 76094474 BTRRLGUIGKDIPN-JTQLQIEISA-N 320.292 2.951 0 40 DFAB c1ccc(-c2n[nH]cc2CNCCc2cn3c(n2)CCCC3)cc1 97731800 NRTYGFUINGOWHQ-UHFFFAOYSA-N 321.428 2.942 0 40 DFAB Cc1nc([C@@H]2CN(c3nc4ccccc4s3)CCO2)no1 95393675 VDNBZUIFPPXELG-NSHDSACASA-N 302.359 2.566 0 40 DFAB OC1CCN(Cc2ccccc2CNC(C2CC2)C2CC2)CC1 95423607 LPSJKOHWPRPAGD-UHFFFAOYSA-N 314.473 2.922 0 40 DFAB Brc1ccc(I)c2nc[nH]c12 238061568 LUQMHXKTGXZVRL-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB Cc1ccc(C[C@@]2(CO)CN(C3CCCCC3)CCO2)cc1 1615142651 RMYSUIQEYFGYIK-IBGZPJMESA-N 303.446 2.934 0 40 DFAB COc1cc2nc(Cl)nc(NC[C@H]3CCCO3)c2cc1OC 11756110 BTGRZTCHJKRUQX-SECBINFHSA-N 323.780 2.891 0 40 DFAB Cc1csc(NC(=O)CN2CCC(c3ccncc3)CC2)n1 12117354 UIBICBLAGPWMEM-UHFFFAOYSA-N 316.430 2.665 0 40 DFAB COc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391179 DHWKUGNCVAIWPO-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1 36395992 OQZWHRJYUYUDJN-SECBINFHSA-N 318.295 2.941 0 40 DFAB Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3459572 WGERCHCTXXDVAR-LJQANCHMSA-N 324.380 2.841 0 40 DFAB Cc1csc(C(=O)N2CC[C@@H](COc3ccccn3)C2)c1 1888847540 SYVDOFKVIZTCLJ-CYBMUJFWSA-N 302.399 2.993 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCCN2Cc2cc[nH]n2)cs1 2037909330 URPSMVPQCRICNU-CYBMUJFWSA-N 305.407 2.552 0 40 DFAB CCc1cccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)c1 4569905 PSJAFPCOIHACIR-UHFFFAOYSA-N 324.355 2.749 0 40 DFAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 4722545 PIXFHVWJOVNKQK-DLAZEALESA-N 306.446 2.930 0 40 DFAB in-vitro Cc1ccccc1OCC(=O)N1CCO[C@@H](c2ccccc2)C1 11027395 NCUNIPFFXFHSOO-GOSISDBHSA-N 311.381 2.974 0 40 DFAB c1cnn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CCCCC2)c1 2055729697 XBWVQRGGSATOEB-RCCFBDPRSA-N 303.450 2.943 0 40 DFAB COc1ccc(-c2nnc(NC(=O)Cc3cccs3)o2)cc1 22673197 KLCZFXGSEXHGON-UHFFFAOYSA-N 315.354 2.988 0 40 DFAB Cc1ccc(C)c(Cn2ccn(-c3ccccc3)c(=O)c2=O)c1 22723150 YBRKPJSSILVXIV-UHFFFAOYSA-N 306.365 2.664 0 40 DFAB O=C(NCCC1=CCCCC1)N1CCN(c2nccs2)CC1 40039067 MCRNNMCRKUYPMN-UHFFFAOYSA-N 320.462 2.865 0 40 DFAB CC(C)c1noc(CCC(=O)Nc2nc3c(s2)CCC3)n1 30891342 BYOFMYZAEWYZKL-UHFFFAOYSA-N 306.391 2.710 0 40 DFAB CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2 38735 HTFAWYXPMMBPLN-UHFFFAOYSA-N 307.293 2.914 0 40 DFAB CCc1nc(C)c(C(=O)NCCN(C)Cc2ccccc2)s1 50605483 PNDQQLKDDAUTNE-UHFFFAOYSA-N 317.458 2.876 0 40 DFAB C[C@@H]1CN(C(=S)SCC(=O)c2ccccc2)C[C@@H](C)O1 198806 XHCRBCJFUHNONY-VXGBXAGGSA-N 309.456 2.997 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)Nc1c(F)cccc1F 40525874 FDIOCAJMJBLZIR-CYBMUJFWSA-N 310.275 2.959 0 40 DFAB Cn1cc([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 489643 FNCNXRUVNRXCSM-HNNXBMFYSA-N 320.348 2.931 0 40 DFAB biogenic CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1 248354 ZYEDIPWVVTXTFA-OAHLLOKOSA-N 306.406 2.617 0 40 DFAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCC3=CCCCC3)cc21 29925898 MTCFHHSRAUONLX-UHFFFAOYSA-N 314.385 2.514 0 40 DFAB Cc1ccc(NC(=O)CC(C)(C)C)cc1N1CCCS1(=O)=O 76934214 LUYKOUJQULKNLY-UHFFFAOYSA-N 324.446 2.910 0 40 DFAB COc1ccc(C(=O)C(C)(CCC(=O)O)CCC(=O)O)cc1 1586785 GNONFUWQAVYNJF-UHFFFAOYSA-N 308.330 2.614 0 40 DFAB Cc1nc2cc3c(=O)n(C)cnc3cc2n1Cc1ccccc1 1562772 FNLQMWCTEJYVAS-UHFFFAOYSA-N 304.353 2.640 0 40 DFAB COc1cccc(CNC(=O)Nc2cnn(CC(C)C)c2)c1 78938224 GXFUXCKXASOEGC-UHFFFAOYSA-N 302.378 2.869 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2 22326150 SQKLGRDOLBARGZ-UHFFFAOYSA-N 318.446 2.944 0 40 DFAB CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1C 2780545 ZEUJOVPBCHNTTP-UHFFFAOYSA-N 321.446 2.649 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1F 8498775 WILBHFJPCUKZHO-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB C=C1c2ccccc2NC(=O)N1C[C@@H](C(C)C)N1CCOCC1 25064026 VOCFOCAZJFRWDH-KRWDZBQOSA-N 315.417 2.862 0 40 DFAB CN1CCC[C@H](NC(=O)c2occc2COc2ccccc2)C1 83877795 OFSUTJWJQBPUHD-HNNXBMFYSA-N 314.385 2.683 0 40 DFAB COc1ccc(CN(C)Cc2c(O)nnn2-c2ccccc2)cc1 57085050 SEIVTFKZPKAKBL-UHFFFAOYSA-N 324.384 2.614 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CC(C)(C)C 3230209 QOMGRUHIEGAJMH-UHFFFAOYSA-N 321.373 2.781 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COC1CCCCC1 44411646 YGUZLTPPPMQVBZ-KBMXLJTQSA-N 323.433 2.668 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1F 3226363 WVFRAPNZMVYAAR-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCCCc1noc(CNc2cc(S(C)(=O)=O)ccc2C)n1 58231879 VIRTVWGBLJQXSH-UHFFFAOYSA-N 323.418 2.736 0 40 DFAB Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 58317101 LMHAEBBYKRQFMW-VXGBXAGGSA-N 320.190 2.925 0 40 DFAB Cc1nc(N2CCC(c3ccc(O)cc3)CC2)c2cnn(C)c2n1 48229772 FPANIHXVXVUULC-UHFFFAOYSA-N 323.400 2.761 0 40 DFAB CC[C@@H](NC(=O)NCc1nncn1CC)c1cccc(Cl)c1 48277951 CIMFJDFVOHAIAT-CYBMUJFWSA-N 321.812 2.902 0 40 DFAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c1 100178774 QUAVWZJBASPHIB-VGWMRTNUSA-N 307.349 2.591 0 40 DFAB O=C(CN1CCc2ccccc2C1)N1CCc2ccccc2C1 36390401 MKHQDADJEKQMOD-UHFFFAOYSA-N 306.409 2.630 0 40 DFAB CCc1ccc(-c2n[nH]c(S[C@@H]3CCCCNC3=O)n2)cc1 28936387 JJFWIETWIRWMBW-CYBMUJFWSA-N 316.430 2.795 0 40 DFAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)c1ccccc1F 28913548 GFXJORFKHIUBNQ-CQSZACIVSA-N 305.349 2.569 0 40 DFAB Cc1n[nH]c(SCC(=O)Nc2nc3ccc(F)cc3s2)n1 11700904 YPGIXHGYQHTLGM-UHFFFAOYSA-N 323.378 2.593 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccc(C)cc2O)c(OC)c1 3359073 YKPNLHLWAJQTSI-UHFFFAOYSA-N 315.369 2.990 0 40 DFAB O=C(/C=C/c1ccco1)N1CCC[C@@H](c2nnc3ccccn23)C1 12814961 QHSZVURKFJHPRF-MYSGNRETSA-N 322.368 2.742 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2F)c(=O)[nH]1 12928231 PIZHOAYCWZAVKO-UHFFFAOYSA-N 323.755 2.751 0 40 DFAB Cc1noc(C)c1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 12906998 BCUKOIRLHVMTJF-UHFFFAOYSA-N 315.373 2.816 0 40 DFAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccccc1F 13464567 VRWSQNJUGYYDMS-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4085058 TWNZZZOKICMJNQ-MEDUHNTESA-N 302.374 2.716 0 40 DFAB biogenic Cc1nc(CSCCC(=O)NCc2ccncc2)cs1 9066095 FKLGRAGPYHLLGV-UHFFFAOYSA-N 307.444 2.786 0 40 DFAB COc1ccc(C2=NN(C(N)=S)[C@H](c3ccco3)C2)cc1 13684810 CUKNPEMIZHTAPX-ZDUSSCGKSA-N 301.371 2.683 0 40 DFAB Cc1ccc(-c2noc(CCN3CCN(C(C)C)CC3)n2)cc1 65288295 ZIZDPRGALYDVJP-UHFFFAOYSA-N 314.433 2.614 0 40 DFAB COc1cc2c(cc1[C@H]1NC(=O)c3ccccc3N1)O[C@H](C)C2 9157349 RJUMDRKDQLYBTP-BMLIUANNSA-N 310.353 2.873 0 40 DFAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCCC1 5280135 XNCWWLUDZWWFMM-AWEZNQCLSA-N 312.369 2.645 0 40 DFAB C[C@H](c1c(F)cccc1F)N(C)c1ncnc2c1cnn2C 65436848 SYPOIRKLGGGTAO-SECBINFHSA-N 303.316 2.839 0 40 DFAB CC(=O)N(C)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 65503735 VUBDITMLLXQGJI-UHFFFAOYSA-N 318.446 2.755 0 40 DFAB COCCc1noc(CN[C@H](c2ccc(F)cc2)C(C)C)n1 65535888 IJGOTMOMIBAYOC-INIZCTEOSA-N 307.369 2.885 0 40 DFAB Cc1cccnc1CN1CCOC[C@H]1CC(=O)c1cccs1 119556129 HAZDGKXSLHIVAW-CQSZACIVSA-N 316.426 2.925 0 40 DFAB O=C(Nc1cccc(-n2cnnn2)c1)c1c(F)cccc1Cl 5488964 FNCYYNSJEOFOCX-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 14403076 ZVNBHZDVWPZJKU-OAHLLOKOSA-N 313.332 2.980 0 40 DFAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H]1CCCO1 66445163 ADYRXCCBHKDQPG-KGLIPLIRSA-N 301.346 2.532 0 40 DFAB Cc1noc([C@@H]2CCCCN2C(=O)NCc2ccc(F)cc2)n1 67350577 VDPRGWPSXXCOOE-AWEZNQCLSA-N 318.352 2.954 0 40 DFAB Nc1cc(N)nc(SCc2ccc(C(F)(F)F)cc2)n1 9321995 AJZYLVBYSYCGKI-UHFFFAOYSA-N 300.309 2.952 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N(C)C2CCC(C)CC2)c(O)c1 7433984 NOYNSEJWHSOHAE-UHFFFAOYSA-N 319.401 2.895 0 40 DFAB NC(=O)c1cnc(N2CCC[C@@H]2c2cccnc2)c(Cl)c1 68661319 CNOBHGOGGBJUGK-CYBMUJFWSA-N 302.765 2.570 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)o1 9495592 JNJLXFXISNYMIC-SNVBAGLBSA-N 300.314 2.868 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnc(C3CC3)s2)c1 70010852 QBYMHLTXFKISAM-ZDUSSCGKSA-N 316.430 2.830 0 40 DFAB CCCN1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1 17066524 KCSSQGFWCQJBQG-UHFFFAOYSA-N 324.490 2.601 0 40 DFAB Cc1cnn(C[C@H](C)NCc2csc(-c3ccccn3)n2)c1 69484844 AUXGMVUJIWBTNY-ZDUSSCGKSA-N 313.430 2.888 0 40 DFAB CC(=O)NCCC(=O)N[C@H](Cc1ccccc1)c1cccs1 96408123 ZFBNHCGPYFRINS-OAHLLOKOSA-N 316.426 2.674 0 40 DFAB CN(C)CCN(Cc1ccccn1)C(=O)Nc1cccc(F)c1 69567941 RRRQLJVRBKIUCF-UHFFFAOYSA-N 316.380 2.816 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 69527887 DTBBGIMWSOHPMQ-INIZCTEOSA-N 316.445 2.873 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccs1 69902528 JBFJTLYHYOSMQZ-HZMBPMFUSA-N 320.370 2.527 0 40 DFAB Cc1ccc(C[C@H](CNC(=O)c2ccsc2)C(=O)O)cc1 97018852 FOQRCUZNYFHEDQ-CQSZACIVSA-N 303.383 2.730 0 40 DFAB CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2cscn2)CCO1 97048120 JYNGQAALQQCYNC-GXTWGEPZSA-N 311.451 2.926 0 40 DFAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCC(C)(C)c1ccncc1 97049587 HEHSBXKVSPMUOW-HOCLYGCPSA-N 319.449 2.552 0 40 DFAB CCc1c[nH]c(S(=O)(=O)Cc2cc(-c3cccs3)on2)n1 97015376 BDAAPJOZZAGIEO-UHFFFAOYSA-N 323.399 2.663 0 40 DFAB CCn1c(NCc2cc(C(N)=O)cs2)nc2cc(F)ccc21 97102949 JBDAGUTUWMYYRU-UHFFFAOYSA-N 318.377 2.968 0 40 DFAB CCC(CC)C(=O)N1CCC(NCc2c(C)n[nH]c2C)CC1 97159403 ZCRRPEXSSWPSQF-UHFFFAOYSA-N 306.454 2.543 0 40 DFAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(Cl)s2)n(C)n1 97111506 WTMZQHBOPWYFFQ-SECBINFHSA-N 312.826 2.733 0 40 DFAB CCCc1ccc(S(=O)(=O)N[C@H](C)CN(CC)CC)cc1 97104251 UIZQOMNLZPBXJI-CQSZACIVSA-N 312.479 2.648 0 40 DFAB O=C(c1cccc(-n2cccn2)n1)N(Cc1ccco1)C1CC1 95399017 DBSHQCNESAOODP-UHFFFAOYSA-N 308.341 2.665 0 40 DFAB Cc1cc(N2CCN(c3cccc(O)c3)CC2)nc(C2CC2)n1 95397824 QNSKDURTCKXWIA-UHFFFAOYSA-N 310.401 2.695 0 40 DFAB CC[C@H](COC)NC(=O)N1CCC(Nc2ccccc2F)CC1 84733849 GLPFLKOXDWBYTR-CYBMUJFWSA-N 323.412 2.837 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)n[nH]1 95953023 WDTDEKRKUSPQOG-HNNXBMFYSA-N 310.357 2.621 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1ccnc1 75602359 COLMQLVQQQBZQD-NEPJUHHUSA-N 321.812 2.503 0 40 DFAB CCSCCC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 65606149 KZVRXKQTBFVOAK-AWEZNQCLSA-N 310.463 2.984 0 40 DFAB CC[C@H](F)C(=O)NCC1[C@H]2CN(Cc3ccc(C)c(F)c3)C[C@H]12 1506813851 PHCORBIBBKSOJT-OAGGEKHMSA-N 322.399 2.676 0 40 DFAB O=C1CCC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)N1 549255588 IBEVRDNXSLQJTL-MRVPVSSYSA-N 307.703 2.834 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccncc1 42646540 FDMGVIZKADYVKT-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1 225884111 DAPBCIFGZOWVHG-SECBINFHSA-N 313.858 2.673 0 40 DFAB COC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCCCCC1 225630325 GVQJYVBEPWCDMP-UHFFFAOYSA-N 321.373 2.828 0 40 DFAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C 225554131 AJTLLQSOVVHRLB-GFCCVEGCSA-N 310.825 2.992 0 40 DFAB COc1cc(NC(=O)N(C)Cc2cnn(C)c2)ccc1Cl 194425768 FRMQJPXISCJNHM-UHFFFAOYSA-N 308.769 2.746 0 40 DFAB O=C1c2nnc(-c3ccccc3)n2CCN1Cc1ccccc1F 98212170 PUPRKSGLCFOKMF-UHFFFAOYSA-N 322.343 2.740 0 40 DFAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(Cc1ccc(C)o1)C2 96219991 BEWHNSJLJLEYDI-MJGOQNOKSA-N 318.461 2.768 0 40 DFAB CN1CCC[C@@H](CCc2nc(-c3cn4ccccc4n3)no2)C1 96164703 FFKCMWZXHOQXKD-ZDUSSCGKSA-N 311.389 2.659 0 40 DFAB O=C(c1n[nH]c2c1CCCCC2)N1CCN(c2ccccc2)CC1 96231240 JTGFTRSWBJDMCZ-UHFFFAOYSA-N 324.428 2.641 0 40 DFAB CCOC(=O)[C@]1(F)CCCN(C(=O)OCc2ccccc2)C1 90463595 MNEPWJSXJMBERP-INIZCTEOSA-N 309.337 2.690 0 40 DFAB Cc1ccc(OC[C@@H](O)COC2CCOCC2)c(Cl)c1 96484791 QQRUNLIZSMLCRK-LBPRGKRZSA-N 300.782 2.584 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)CCc2ccnn2C)C12CCCCC2 97097348 SOCLYNLSIISEMA-CVEARBPZSA-N 319.449 2.597 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)Cc2cccs2)cs1 96218828 IXLQLHYDBNDCQK-CYBMUJFWSA-N 308.428 2.656 0 40 DFAB CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(CCF)CC2 96254099 MIWIFCLJMZTZRI-UHFFFAOYSA-N 318.371 2.676 0 40 DFAB CC(=O)N1CCCC[C@H]1c1csc(Nc2cnccn2)n1 257275957 NRSCAUALMIUNLE-LBPRGKRZSA-N 303.391 2.750 0 40 DFAB Cc1cncc([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 257308623 TXKYSFPNEKWPQQ-KRWDZBQOSA-N 324.432 2.512 0 40 DFAB Cc1nc(CC(=O)N2CCN(C)[C@H](c3ccccc3)C2)cs1 257316822 VHDMCKMSTRGKSK-INIZCTEOSA-N 315.442 2.509 0 40 DFAB O=C(c1ccccc1)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 257283189 OXDDJBKTLIRTDE-AWEZNQCLSA-N 319.368 2.844 0 40 DFAB CCC(=O)N1CCC[C@@](C)(c2ccc3c(C)nn(C)c3n2)C1 257243359 IGPAGQLSRIFODO-QGZVFWFLSA-N 300.406 2.567 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)s1 262362455 DIJAIAQKGGVCGC-GFCCVEGCSA-N 317.366 2.660 0 40 DFAB CC(C)(C)n1cnc(C(=O)NCc2nsc3ccccc23)n1 585140458 FAPNIYKUUDICGE-UHFFFAOYSA-N 315.402 2.573 0 40 DFAB CCNC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 69779325 PTBYEPGSWJFTHJ-UHFFFAOYSA-N 317.433 2.778 0 40 DFAB CCOC(=O)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 44069981 CMXUSZKAQVDXTC-LLVKDONJSA-N 309.410 2.703 0 40 DFAB Fc1ncc(I)cc1Br 45672791 MLOIGFZNGAEEDT-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB CCC[C@@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57414819 ZVBGDKQJEDTWCC-CQSZACIVSA-N 323.868 2.767 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@H](C)C(F)(F)F)cc1 72305088 MNIMLFPEDVSKRP-WHXYTISESA-N 301.264 2.553 0 40 DFAB COc1cc(CNc2ncnc3[nH]cnc23)c2ccccc2n1 76063340 GWSLHYOCUXUKEV-UHFFFAOYSA-N 306.329 2.522 0 40 DFAB O=c1/c(=C\c2c[nH]c3ccccc23)sc2nc3ccccc3n12 83836 NBMUWXUNWZTERF-CXUHLZMHSA-N 317.373 2.938 0 40 DFAB Cn1ccnc1[C@H](NC(=O)C(C)(C)C)c1ccc(F)c(F)c1 12114994 RTQFFYJSGAQFIK-CYBMUJFWSA-N 307.344 2.950 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 12239624 PZWAYSGZNDUEHN-AXAPSJFSSA-N 308.385 2.688 0 40 DFAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 15408403 QLBWKEINAYGUNI-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB CC(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccccc2)cs1 17242154 FLONSEOWASQMLZ-JTQLQIEISA-N 303.387 2.521 0 40 DFAB Cc1cccc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)n1 19236183 RFTQDHLMJVXFLC-HXUWFJFHSA-N 321.424 2.711 0 40 DFAB Cn1nccc1C(=O)N[C@@H](Cc1cccs1)c1ccccn1 19289189 GKOLAIYRIOXTJX-AWEZNQCLSA-N 312.398 2.590 0 40 DFAB COc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2 28233715 AOPXWEKLKULIEW-UHFFFAOYSA-N 307.353 2.848 0 40 DFAB O=C(NCc1c(F)cccc1F)c1ncnc2c1CCCC2 1888860312 SYMMDMILOFRTRB-UHFFFAOYSA-N 303.312 2.564 0 40 DFAB COc1cccc2sc(N3CC(Cn4ccnc4C)C3)nc12 1889168611 KANXJTHUVMPENZ-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB CCOc1ccc(OCCNC(=O)c2ccc(OC)cc2)cc1 7899534 XZKWFCSRZZCHJE-UHFFFAOYSA-N 315.369 2.903 0 40 DFAB Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1C 8586386 WADJLNZHIDPQLR-UHFFFAOYSA-N 310.353 2.710 0 40 DFAB aggregator Cc1cc2nc(C3CCN(CC4CCCC4)CC3)cc(N)n2n1 13226849 MWXUYWWLCKOZQT-UHFFFAOYSA-N 313.449 2.990 0 40 DFAB O=C(O)CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 182996 YDKKQNIDOJTRNA-UHFFFAOYSA-N 309.325 2.805 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 40526804 ZNFLEJJJMAROJM-RYUDHWBXSA-N 324.446 2.908 0 40 DFAB C[C@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 101386933 XJGUOILTVZHYGI-SJLPKXTDSA-N 313.445 2.836 0 40 DFAB CC[C@H](C(=O)O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 339189 ACOZFLJTXDENNX-PSASIEDQSA-N 306.387 2.619 0 40 DFAB CCCc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)n[nH]1 32730568 YFCDFXBGTDIONP-MRXNPFEDSA-N 318.396 2.534 0 40 DFAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC)c1CC 2630602 JTHXHSITMRHUAB-UHFFFAOYSA-N 314.385 2.653 0 40 DFAB CC(C)C1=NN(C(=O)Cc2ccccc2)[C@](O)(C(F)(F)F)C1 248943 JGJKWFUJIODOML-CQSZACIVSA-N 314.307 2.724 0 40 DFAB NC(=O)N1CCC[C@H]1COC(=O)c1cc(Cl)sc1Cl 78948365 YIVZUJRUUPFNJN-LURJTMIESA-N 323.201 2.755 0 40 DFAB N#Cc1ccc2ncc(/C=C/c3ncc(/C=C/C(=O)O)s3)n2c1 79026000 VVBMSQQRPAHVLJ-BUSIMMOISA-N 322.349 2.931 0 40 DFAB COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3)c12 547311 HVBZLKUSJVVIRU-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 2709879 CCSRFOKEHJOTQD-LJQANCHMSA-N 323.348 3.000 0 40 DFAB CCCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)CC)cc1 53646499 JXAOHHCEDGYMTC-GFCCVEGCSA-N 312.435 2.816 0 40 DFAB Cc1cccc(OCC(=O)NCc2ccccc2CN(C)C)c1 6992631 LVFLJIPLNYODTC-UHFFFAOYSA-N 312.413 2.752 0 40 DFAB CC(=O)Nc1cc(NS(=O)(=O)c2cccs2)ccc1F 22844059 MUCUZJWBHAAHPC-UHFFFAOYSA-N 314.363 2.646 0 40 DFAB COc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100599271 VIFMFBHTJUIBPY-QGPMSJSTSA-N 314.429 2.642 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 10744397 NFMVPKGCCRLALT-UHFFFAOYSA-N 313.309 2.715 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@H]1C[C@@H]2CC[C@@H]1C2 101987195 KFEUWXIJZMHHPO-LNFKQOIKSA-N 315.339 2.993 0 40 DFAB CN(CCc1ccccn1)C(=O)Nc1ccccc1-n1cccn1 61448908 GRMVTBVTCXPABD-UHFFFAOYSA-N 321.384 2.974 0 40 DFAB NC(=O)[C@@H](NCc1ccccc1OC(F)(F)F)c1ccccc1 26225596 BAQDJBCWEMWGKJ-AWEZNQCLSA-N 324.302 2.901 0 40 DFAB CCNC(=O)[C@H]1CCCN(Cc2csc(C(C)(C)C)n2)C1 57866124 YVCKWRZCJXKEIY-LBPRGKRZSA-N 309.479 2.789 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1 58008641 FXYCQEQRMIRBQD-VHSXEESVSA-N 316.323 2.738 0 40 DFAB O=C(NCc1ccoc1)Nc1ccc(CN2CCOC2=O)cc1 58086180 LAUQRNGHBPPALZ-UHFFFAOYSA-N 315.329 2.554 0 40 DFAB CCN(CCn1c(C)csc1=O)Cc1ccc(OC)cc1 58171445 CCLGEQCWKQBXOQ-UHFFFAOYSA-N 306.431 2.749 0 40 DFAB CCC(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 100750050 ZAJWFOJUHHUJKC-DAYGRLMNSA-N 317.433 2.591 0 40 DFAB COc1ccc(C2=CCN(C(=O)c3cnc(C)cn3)CC2)cc1 44945293 WBTPTOHUDWFVTP-UHFFFAOYSA-N 309.369 2.723 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 12793628 OKOGFKJRKBYPCT-ACJLOTCBSA-N 314.385 2.678 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 12757693 LTTMCVSNIIZRCW-CQSZACIVSA-N 314.316 2.899 0 40 DFAB NC(=O)c1ccc(COC(=O)CCc2cccc(F)c2)cc1 10739864 CDHADRCYRKSADP-UHFFFAOYSA-N 301.317 2.601 0 40 DFAB COc1ccc(OC)c(C(=O)c2nc3c(n2O)CCCCC3)c1 2334177 GDHHRLOIWDLGAW-UHFFFAOYSA-N 316.357 2.638 0 40 DFAB O=C(COc1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12823888 CDRNJEDOQSAFJF-UHFFFAOYSA-N 317.732 2.527 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn12 3402302 XRVPGCUXRLYPDB-UHFFFAOYSA-N 322.155 2.992 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 49064494 JZTDOUUTAMBMPL-KXUCPTDWSA-N 318.200 2.505 0 40 DFAB c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 64431017 MAAHIAWCZMBRKC-UHFFFAOYSA-N 310.397 2.780 0 40 DFAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 4368804 MZUYLNJPQURQBG-HNNXBMFYSA-N 312.373 2.910 0 40 DFAB CC(C)CN(CC(C)C)S(=O)(=O)c1cccc2nonc12 13946392 TWFZUJGZVYDFTQ-UHFFFAOYSA-N 311.407 2.526 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1cccnc1 65452066 RVEXBYXSPUSOMG-NEPJUHHUSA-N 324.384 2.698 0 40 DFAB O=C(N[C@H]1C=C(Cl)c2cc3c(cc21)OCO3)C(F)(F)F 6320801 AASLYRSSMVRFGW-QMMMGPOBSA-N 305.639 2.728 0 40 DFAB CC(C)c1cnc(CSc2nnnn2-c2ccc(O)cc2)o1 71904405 DJFDHANQPQDHMB-UHFFFAOYSA-N 317.374 2.772 0 40 DFAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)C 5430203 HHAJQWZTRWORTQ-UHFFFAOYSA-N 318.446 2.506 0 40 DFAB CC1CCC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)CC1 65903744 FGMABXIMAWUMBA-UHFFFAOYSA-N 300.402 2.969 0 40 DFAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4690708 KBHJZPZYNPPXHZ-UHFFFAOYSA-N 305.359 2.718 0 40 DFAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccccn1)CC2 6624120 JMCONKAHZWLEDW-GFCCVEGCSA-N 312.369 2.858 0 40 DFAB biogenic COc1ccc(N)cc1NC(=O)COc1ccc(C)cc1C 19736149 IMUKFRWEVYDYCW-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB CSc1nc(=O)c2c(n1C)N=C(O)C[C@H]2c1cccc(F)c1 9358126 GOUFMIKIPMRHRG-JTQLQIEISA-N 319.361 2.765 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)Cc2cccs2)[C@@H]1C 4986267 DKWFPFNDOROYEL-BZPMIXESSA-N 309.431 2.775 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)N(C1=CCCCC1)C1CC1 7268895 TYZVHDKPBJIRTF-UHFFFAOYSA-N 323.396 2.845 0 40 DFAB COC[C@H](C)NC(=O)Nc1cccc(COCCOC(C)C)c1 68558171 ZCNIBFBQPLKCDX-AWEZNQCLSA-N 324.421 2.785 0 40 DFAB C[C@@H](OC(=O)c1ccsc1)C(=O)NCCc1ccccc1 8256195 JWRKESDNEZYDMI-GFCCVEGCSA-N 303.383 2.652 0 40 DFAB CCn1ncc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1C 17031330 IFHHPEATSBSATD-INIZCTEOSA-N 306.373 2.859 0 40 DFAB C[C@H](C(=O)Nc1cc(CC2CCCCC2)n[nH]1)n1ccnc1 71856788 ZCFMAOUTYYSFQM-GFCCVEGCSA-N 301.394 2.929 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2cc(C)ccc2C)CC1 69510119 IFIFLEQYRXOOHN-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB CC(C)c1csc(CNC(=O)N[C@H]2CC[C@H](N(C)C)C2)n1 91706154 AHRHFBRXRQDKKY-RYUDHWBXSA-N 310.467 2.548 0 40 DFAB O=C(NCCCOc1cccc2cccnc12)Nc1cn[nH]c1 69668746 IGCYOFJXAWHFQP-UHFFFAOYSA-N 311.345 2.549 0 40 DFAB Cc1c(NC(=O)NC[C@@H]2CCCO2)cccc1OC(F)F 69808895 XFZCEMVERYAMNN-JTQLQIEISA-N 300.305 2.897 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2scnc2C)n1 71870192 QRBXUWRTOHFHEE-CYBMUJFWSA-N 304.419 2.570 0 40 DFAB O=C1C[C@H](c2ccccc2)N(C(=O)CC2CCCC2)CCN1 71821262 MGEZVHZCBQZSTE-MRXNPFEDSA-N 300.402 2.657 0 40 DFAB CCC[C@](C)(NC(=O)Cc1cccc2cccnc12)C(=O)OC 72028428 SRCDOPWCYATSSC-SFHVURJKSA-N 314.385 2.625 0 40 DFAB COc1cc(C(=O)N[C@H](c2nccc(C)n2)C2CC2)ccc1F 97230381 MDZDWDZGSKUEOI-HNNXBMFYSA-N 315.348 2.814 0 40 DFAB C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2)CN1Cc1ccccc1 97033796 ZRJANHUGODAURH-RDTXWAMCSA-N 309.413 2.860 0 40 DFAB Cc1cccc(CN(C)C(=O)Cc2ccc(-n3cccn3)cc2)n1 72294426 JJWUCUURVBNGRJ-UHFFFAOYSA-N 320.396 2.777 0 40 DFAB Cc1c(C(=O)N[C@H]2CCc3nccn3C2)oc2c(F)cccc12 97197371 ILAFVWQRNPGFRS-NSHDSACASA-N 313.332 2.822 0 40 DFAB Cc1sc(NS(C)(=O)=O)nc1-c1c(F)cc(F)cc1F 97164223 JPGTZRCUTBSFRE-UHFFFAOYSA-N 322.333 2.907 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1ccoc1 97163686 UWGWBEOOULTNEL-ZIAGYGMSSA-N 322.405 2.774 0 40 DFAB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cnsn1 95414312 IHEABMLJCSXTCF-UHFFFAOYSA-N 317.292 2.709 0 40 DFAB C[C@@H]1C[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CCO1 95455600 XJGVYOMYQOXCFH-CKYFFXLPSA-N 315.772 2.930 0 40 DFAB C[C@@H](c1cccnc1)N(C)CC(=O)N1CCc2ccccc2C1 95977285 PKKWUDZNHFOMSD-HNNXBMFYSA-N 309.413 2.659 0 40 DFAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@@H]1C[C@H]1c1ccco1 75092984 MEVMJGBMABAWEM-ZIAGYGMSSA-N 308.337 2.541 0 40 DFAB COc1cccc(-n2nc3ccc(N)c(Br)c3n2)c1 20134589 ZDPJOPMKVAIZPE-UHFFFAOYSA-N 319.162 2.774 0 40 DFAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccccc2C)c1 32770526 DYLXSFAPINTRCB-UHFFFAOYSA-N 320.366 2.858 0 40 DFAB CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241871 DNARPIMQAQEFOG-HOCLYGCPSA-N 306.381 2.652 0 40 DFAB O=C1CC2(CCN(c3nc(-c4ccccc4)cs3)CC2)CN1 67654693 FULAJYGXWGHHCL-UHFFFAOYSA-N 313.426 2.917 0 40 DFAB COc1ccccc1-c1cc(C(F)(F)F)nc(OCCN)n1 35655678 RXYIRFUZQCXROU-UHFFFAOYSA-N 313.279 2.509 0 40 DFAB CCn1c(C(=O)N2C[C@@H](C)[C@](C)(C(=O)O)C2)cc2ccccc21 567970314 MODMXOUGCWYIRY-KZULUSFZSA-N 314.385 2.844 0 40 DFAB Cn1ccc(C(=O)N2CC[C@H](Cc3cncc4ccccc34)C2)n1 72368519 TXRGJDCJXSLMMQ-CQSZACIVSA-N 320.396 2.673 0 40 DFAB Cc1cccc(CN2CCCN(c3nc(C)cc(C)n3)CC2)n1 72351156 DSVDCUIHONDJOO-UHFFFAOYSA-N 311.433 2.509 0 40 DFAB Cc1c(-c2ccc(Cl)cc2)nnn1C[C@H]1CCNC(=O)CC1 568610078 QZOQFWYCNBLCQI-GFCCVEGCSA-N 318.808 2.823 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ncnc3ccccc23)C1 83351203 LVMVFEYNINGLBE-LBPRGKRZSA-N 314.389 2.733 0 40 DFAB COCC[C@H](NC(=O)[C@]1(C)CCCN1)c1ccc(Cl)cc1 195554344 NPXBQUPGMJSCOM-HOCLYGCPSA-N 310.825 2.676 0 40 DFAB COc1ncccc1C(=O)NCc1ccnc(-c2ccco2)c1 225656092 SFVNNNIFLFLRQC-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB O=[S@@](CCCc1nc(-c2ccccc2)no1)C1CCOCC1 191199283 CYVJIWWGWXRQLW-QFIPXVFZSA-N 320.414 2.597 0 40 DFAB C[Sn]1(C)c2ccccc2Oc2ccccc21 195753935 RJXBBIMUUZMDST-UHFFFAOYSA-N 316.976 2.615 0 40 DFAB CC(C)OCCCNC(=O)COc1cccc2cccnc12 223136434 DRPVFAPFRQLIRD-UHFFFAOYSA-N 302.374 2.545 0 40 DFAB Cc1ccncc1NC(=O)COc1ccn(-c2ccccc2)n1 226853678 QEUPINVRVAWYSQ-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB CC[C@](C)(CO)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 573861389 KCTWDMCAZPYTHB-QGZVFWFLSA-N 301.390 2.836 0 40 DFAB CN1CCC[C@@](O)(CN(Cc2ccccc2)c2ccccn2)C1 41124038 JJHNIRJZTQDFPC-IBGZPJMESA-N 311.429 2.545 0 40 DFAB O=C(CNc1ccccc1OCC1CC1)NCc1ccco1 96419549 FYAHUOUFGKIPPZ-UHFFFAOYSA-N 300.358 2.797 0 40 DFAB Fc1cccnc1N[C@H]1CO[C@]2(CCN(Cc3ccco3)C2)C1 96047630 WVIOTFNXTCKTOO-CXAGYDPISA-N 317.364 2.659 0 40 DFAB C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1CSc2ccccc21 96411210 AUNWIVMBFUZYKD-GXSJLCMTSA-N 319.348 2.960 0 40 DFAB CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC)C(C)C 580140049 DULUFDLIPINHSZ-UHFFFAOYSA-N 302.378 2.928 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCCc2occc21 96405741 XMASCPYGJBEZNK-HZPDHXFCSA-N 314.385 2.998 0 40 DFAB Cc1c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)nnn1C 333303248 JDNCFXMVUKCENM-ZDUSSCGKSA-N 303.341 2.632 0 40 DFAB Cc1nc(C)c(CNC(=O)Nc2nnc(C3CC3)s2)s1 96433757 ZFGMRBRFNZMRJU-UHFFFAOYSA-N 309.420 2.811 0 40 DFAB C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccc2ncsc2c1 330133247 LUECQJPFNTVOPJ-SECBINFHSA-N 312.398 2.999 0 40 DFAB C[C@]1(NC(=O)c2cc(Br)co2)CCO[C@@H]1C1CC1 580937129 YMYHVURDTUGHRB-YPMHNXCESA-N 314.179 2.730 0 40 DFAB O=C(c1cn[nH]n1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 91151623 JXEJHYYFIWHZGC-UHFFFAOYSA-N 324.306 2.843 0 40 DFAB Cc1ccoc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97372123 NXPMYTVRTAFNAD-ZDUSSCGKSA-N 318.760 2.555 0 40 DFAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(C)nc2)cc1 97376326 JJWCQFYRWAJOIF-LBPRGKRZSA-N 312.369 2.994 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCC[C@@H]1c1ccncn1 257338049 YVOSLYUXVQZABL-GOSISDBHSA-N 322.412 2.593 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 257217204 CXZSEQIXFJKHMI-ZDUSSCGKSA-N 303.431 2.803 0 40 DFAB CCC(=O)N1CCC[C@@](C)(c2cn3cccc3c(NC)n2)C1 257242706 IDTLTMUBEMNIEL-QGZVFWFLSA-N 300.406 2.666 0 40 DFAB Cn1cncc1-c1cccc([C@H]2CCCN2Cc2cnccn2)n1 257307474 SYTOKTRVBRSSIT-QGZVFWFLSA-N 320.400 2.609 0 40 DFAB CC(=O)N1CCN(Cc2cncs2)[C@H](c2ccccc2)C1 257281547 OPSLOUYZPXIYAS-INIZCTEOSA-N 301.415 2.549 0 40 DFAB CC(C)CCOc1cccc(NC(=O)NCCC(=O)N(C)C)c1 64547186 NDLHEMGTKDEZEM-UHFFFAOYSA-N 321.421 2.711 0 40 DFAB Cc1nc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)cs1 29548281 OUCNBXGEHUPTLG-UHFFFAOYSA-N 324.789 2.806 0 40 DFAB CCn1cc(NC(=O)CCOc2ccc(C)c(C)c2)ccc1=O 47181787 TXGQOIFQHWEMRI-UHFFFAOYSA-N 314.385 2.893 0 40 DFAB CSc1ccc2nc(NCCN3CCOCC3)sc2c1 36657620 FWJDBTLPVCXKCU-UHFFFAOYSA-N 309.460 2.762 0 40 DFAB Cc1noc([C@@H](C)Nc2ccc(OCC(F)(F)F)nc2)n1 56155877 IBEQIFHRAAJMIU-SSDOTTSWSA-N 302.256 2.887 0 40 DFAB CC(C)CNC(=O)CNC(=O)Nc1cc(Cl)ccc1Cl 50034788 MFKUWXOBUXHJDA-UHFFFAOYSA-N 318.204 2.887 0 40 DFAB COc1ccc(-c2nc(CC(=O)N3CCC3)cs2)cc1OC 83960577 CTBLKLYRWBVRAF-UHFFFAOYSA-N 318.398 2.602 0 40 DFAB COc1cccc(F)c1[C@@H](C)NCc1nnc(C2CC2)n1C 95985411 XWRJRZRCNURPPN-SNVBAGLBSA-N 304.369 2.691 0 40 DFAB CC(=O)N1CC[C@H](c2nc(C)cc(NCc3ccccc3)n2)C1 19118412 HEIYELHEAXKUGR-INIZCTEOSA-N 310.401 2.733 0 40 DFAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)C1CC1 19575439 GVKGHIYDVORPOU-SECBINFHSA-N 311.307 2.970 0 40 DFAB O=C(CCSc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 253403184 PMHBJSVEKPXQPK-FVQBIDKESA-N 321.442 2.622 0 40 DFAB Cc1ccccc1CN1CCC(Oc2ncc(F)cn2)CC1 1203713364 RMWOVFPVBXKUFI-UHFFFAOYSA-N 301.365 2.968 0 40 DFAB COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12490168 VCJCUBLZKQJBMR-UHFFFAOYSA-N 309.369 2.865 0 40 DFAB O=C(CSc1ccc(-c2cccnc2)nn1)NC1CCCC1 4391875 IRYSPFKOJFTJRV-UHFFFAOYSA-N 314.414 2.690 0 40 DFAB O[C@](CNc1ncnc2ncccc12)(c1cccs1)C1CC1 1775970290 AJSUQFZQPVVLHZ-INIZCTEOSA-N 312.398 2.796 0 40 DFAB CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)s1 2298174058 IAKMXEZVZMZFLF-NSHDSACASA-N 310.467 2.793 0 40 DFAB CCOC(C[C@@H](C)NC(=S)NCc1ccccc1)OCC 2346881 ZNTNZTOYFOHXJS-CYBMUJFWSA-N 310.463 2.828 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCCN1CCOC1=O)C2 102447145 CXDSXZAJCJAOMM-AHIWAGSCSA-N 308.422 2.550 0 40 DFAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O 30377721 UQNAUYGTLUOQDO-XHDPSFHLSA-N 316.401 2.545 0 40 DFAB CCOc1ccc2c(c1)C=C(C(=O)Nc1nnc(C)s1)CO2 40129283 CHIWHDACZVFSJR-UHFFFAOYSA-N 317.370 2.660 0 40 DFAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1cccnc1 40107210 HSVAUZZOUMICNK-UHFFFAOYSA-N 308.341 2.627 0 40 DFAB O=C(NC1CC1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 40284475 XBKZVXKBGYOQML-SFHVURJKSA-N 320.392 2.532 0 40 DFAB CC(C)(C)c1noc(CN2CCN(Cc3ccsc3)CC2)n1 40496222 UYBKPUYSESSBSK-UHFFFAOYSA-N 320.462 2.746 0 40 DFAB Cc1csc(N2CCN(Cc3nc4ccccc4o3)CC2)n1 40555443 PDGZWCIZOHGTFV-UHFFFAOYSA-N 314.414 2.915 0 40 DFAB CC(C)n1ncc2cc(NC(=O)COC3CCCC3)cnc21 40553128 PXMNJXWAIWJWSC-UHFFFAOYSA-N 302.378 2.910 0 40 DFAB CC1(C)C[C@H]2C[C@@](C)(CN2Cn2nc3c(cc2=O)CCC3)C1 101342949 OSLPUCIHRWQHJB-KBXCAEBGSA-N 301.434 2.590 0 40 DFAB Cc1noc(C)c1CC(=O)OCC(=O)Nc1ccc(Cl)cc1 21492735 SWUSTNBOVCYDQK-UHFFFAOYSA-N 322.748 2.669 0 40 DFAB O=C(Nc1cccc2cn[nH]c12)[C@@H]1CC(=O)N(c2ccccc2)C1 32817016 XNHXWSWIOFRLMN-CYBMUJFWSA-N 320.352 2.555 0 40 DFAB CC(C)(C)c1n[nH]c(SCC(=O)NCC2CCCCC2)n1 32883980 BFMPIECGYVVQQL-UHFFFAOYSA-N 310.467 2.891 0 40 DFAB CCOc1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 21889348 NDUYIXMXZLAJQC-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CCc1ccc(OCc2nnc(SCC(=O)O)n2CC)cc1 419163 FCYBLAPFCLEZBJ-UHFFFAOYSA-N 321.402 2.616 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c1 33153539 VPVWYNLTWSXMSU-MRXNPFEDSA-N 324.336 2.605 0 40 DFAB O=C(NCc1cc(-c2ccccc2)no1)c1cccnc1S 52990666 GVZRLYKXDVKSNO-UHFFFAOYSA-N 311.366 2.955 0 40 DFAB Cn1nc(C(=O)Nc2nccs2)c(Cl)c1C(F)(F)F 2778209 ZCKLERPUWSNNDA-UHFFFAOYSA-N 310.688 2.801 0 40 DFAB Cc1cc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)no1 22759119 NMAFHBLFUZZBST-MRXNPFEDSA-N 315.373 2.961 0 40 DFAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1 807437 HXUIPJPWMJBJLS-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB Cc1ccccc1CN(C)C(=O)N[C@@H]1CCCc2c1cnn2C 47002775 AURMRSIJXIKCCI-MRXNPFEDSA-N 312.417 2.948 0 40 DFAB CCc1ncc(NC(=O)N(C[C@@H](C)O)C2CCCCC2)cn1 97113454 DQDPRGKSTLHNOL-GFCCVEGCSA-N 306.410 2.586 0 40 DFAB CCNC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 42655621 HCSUNPQYYBCXRN-UHFFFAOYSA-N 300.387 2.599 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@H](C)CN2CCCC2)s1 47390736 FEZGOASJBUZOFP-NSHDSACASA-N 311.455 2.515 0 40 DFAB Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)c1 55676410 TUQPDRAPBHVIJD-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB CCOc1ccccc1OC1CCN(C(=O)[C@@H]2CCCO2)CC1 55614816 JQYPLNCIDPWQNN-KRWDZBQOSA-N 319.401 2.634 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2CCC(Oc3ccccc3)CC2)c1 55975203 QQGZTXKZFHVDMT-UHFFFAOYSA-N 312.369 2.901 0 40 DFAB CC(C)(C(=O)N1CCN(Cc2ccccn2)CC1)c1ccccc1 57676824 VZYMBBICNDEKRC-UHFFFAOYSA-N 323.440 2.704 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1NS(C)(=O)=O 58158559 RAISVLDBXUMIBI-LBPRGKRZSA-N 308.403 2.661 0 40 DFAB CCOC(=O)CCNC(=O)c1cc(Cl)cc2cccnc12 58265488 ULYMRDWMHFJGMD-UHFFFAOYSA-N 306.749 2.571 0 40 DFAB Cc1nc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cn1C 58392510 HEURTGRRNFSKMO-UHFFFAOYSA-N 320.292 2.515 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)CCOc2ccccc2Cl)C1 58419742 KPEGGJVPICIXLV-CQSZACIVSA-N 324.852 2.955 0 40 DFAB Cc1ccc(-c2nnn([C@@H](C)c3nc(C(C)(C)C)no3)n2)cc1 58407026 RHBWCPIXFHMRNV-NSHDSACASA-N 312.377 2.938 0 40 DFAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2ccc(F)cc21 58746789 ONXKJVILKBLHPE-DOMZBBRYSA-N 307.365 2.689 0 40 DFAB COc1cccc(CN(C)C(=O)NCc2csc(C)n2)c1 45344449 MYIZFBPQOOAJNI-UHFFFAOYSA-N 305.403 2.802 0 40 DFAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN(C)C 2310504 VYFCUBMBTMQISL-UHFFFAOYSA-N 321.808 2.985 0 40 DFAB O=C1CC[C@H](Nc2cnc3cc(Cl)c(Cl)cc3n2)CN1 97238145 AHMIRBQUNDZBPK-ZETCQYMHSA-N 311.172 2.627 0 40 DFAB CCOc1ccc(CCC2CCN([C@@H](C)C(N)=O)CC2)cc1 11053583 FNXOJAJQRYGWND-AWEZNQCLSA-N 304.434 2.604 0 40 DFAB NC(=O)[C@H](OC(=O)c1ccc(Cl)s1)c1ccc(F)cc1 11466121 PVZFRJTXSTWGJV-LLVKDONJSA-N 313.737 2.924 0 40 DFAB O=C1O[C@@H](C(=O)N(Cc2ccco2)C2CC2)Cc2ccccc21 29011445 DZKXPFAVYNJYBT-MRXNPFEDSA-N 311.337 2.552 0 40 DFAB Cn1ncc2c(N(Cc3ccco3)Cc3ccco3)ncnc21 12910776 MLTQSJJELIEEMP-UHFFFAOYSA-N 309.329 2.756 0 40 DFAB CSc1ncccc1C(=O)NCCOc1cccc(C)c1 13013219 UHYFKZCPIGJAOJ-UHFFFAOYSA-N 302.399 2.921 0 40 DFAB O=C1Nc2ccc(Br)cc2[C@]1(O)c1ccccc1 4108715 NAYNCZOJDWVGEP-CQSZACIVSA-N 304.143 2.637 0 40 DFAB COc1ccc(Cc2c(Cl)nc3n(c2=O)CCCS3)cc1 5205719 RTPDAVNKHJFZFI-UHFFFAOYSA-N 322.817 2.992 0 40 DFAB CC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 4517781 FKNVQFRBEVSIFZ-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccs1 9114077 MOTVLMKIBFHSJC-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB CN(C)C(=S)SCC(=O)N[C@H]1CCCc2ccccc21 6544193 AVUJBKVGNGTCEM-ZDUSSCGKSA-N 308.472 2.760 0 40 DFAB O=C1CCCN1c1nc(-c2ccc3c(c2)OCCO3)cs1 6508381 JCBDLABSDIHBGX-UHFFFAOYSA-N 302.355 2.708 0 40 DFAB CC(=O)c1cccc(OC(=O)c2cc(=O)[nH]c3ccccc23)c1 4641059 NEQZUZNSPQFWPC-UHFFFAOYSA-N 307.305 2.950 0 40 DFAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1 5694123 FVLHYWLQVARJSB-SNVBAGLBSA-N 303.289 2.715 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O 6882662 IQFZJNCETIGXIO-CHWSQXEVSA-N 307.346 2.528 0 40 DFAB COCCn1cc2c(n1)[C@H](NCc1ccccc1F)CCC2 96002714 QIYFHHKJRQAJET-MRXNPFEDSA-N 303.381 2.836 0 40 DFAB CC(=O)Nc1ccccc1CN1C[C@@H]2[C@H](C1)CN1CCCC[C@H]21 93537705 SKZBBXZWQMHMQU-ZHALLVOQSA-N 313.445 2.561 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C1CC1 7617216 SATJUDQNIICPLG-UHFFFAOYSA-N 306.366 2.791 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2nnc(-c3ccco3)o2)c1 69491653 ZDXYYVBHVFJMCK-RYUDHWBXSA-N 301.350 2.574 0 40 DFAB Cc1cnn(C[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69459656 KAXXRGXXPPYPGG-HNNXBMFYSA-N 307.401 2.827 0 40 DFAB CCO[C@@H]1Sc2nnc(C)n2N=C1c1ccc(Cl)cc1 17173191 JLIQNAONAIOQGT-GFCCVEGCSA-N 308.794 2.961 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 69535702 IZOMCYSTLVNHFT-DLBZAZTESA-N 313.401 2.743 0 40 DFAB Cc1cc(C(=O)O[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)on1 71796005 GVTGCVVVZSNXAE-JSGCOSHPSA-N 308.378 2.565 0 40 DFAB c1ccc(-c2csc(CN[C@@H]3CCc4ncnn4C3)n2)cc1 69700153 JPMNIHUXHUIXOP-CYBMUJFWSA-N 311.414 2.506 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2[nH]cnc2c1 69808010 WEEHBWVDCNSFJV-IRXDYDNUSA-N 312.417 2.652 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 71877740 BQLPXPRVCVEVGM-GHMZBOCLSA-N 302.349 2.932 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCCc1ccccc1 71837285 AZPRHQBDASLYDB-GFCCVEGCSA-N 300.406 2.640 0 40 DFAB CCc1nc(CNC[C@H]2CCO[C@H]2c2cnn(CC)c2)cs1 83830340 LZXBLZMYHVVPJP-MLGOLLRUSA-N 320.462 2.789 0 40 DFAB COC(=O)c1cccc(C(=O)N2CCC[C@H]2C2CCCC2)n1 83897399 UTNCVMJZALVKSS-HNNXBMFYSA-N 302.374 2.663 0 40 DFAB Fc1cccc2ncnc(NCCc3n[nH]c(-c4ccco4)n3)c12 71910613 RGVSUGKHIZPVKP-UHFFFAOYSA-N 324.319 2.802 0 40 DFAB Cc1n[nH]c([C@H](NC(=O)CCC(=O)c2ccccc2)C(C)C)n1 72293002 QPCVBGJDXHINLO-MRXNPFEDSA-N 314.389 2.590 0 40 DFAB CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCOCC1 95401802 YQDORLCHQGKIPK-USXIJHARSA-N 310.482 2.818 0 40 DFAB C[C@H]1C[C@H](c2ccsc2)CN1c1nnc(Cl)cc1C(N)=O 95406107 MAQZFTABZLUCBH-WPRPVWTQSA-N 322.821 2.673 0 40 DFAB Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)cn1 95965432 GQZLFQYXBRDJJI-QGZVFWFLSA-N 324.380 2.504 0 40 DFAB C[C@@H]1CN(c2ccccc2CN[C@@H]2CCC[C@@H]2CO)C[C@@H](C)O1 88734978 WEKKKTHQGYHMKR-JOCBIADPSA-N 318.461 2.551 0 40 DFAB COc1cccc(Cl)c1C(=O)NC[C@H](O)Cc1ccccc1 89471419 AVVKMIUBBGPVAC-CYBMUJFWSA-N 319.788 2.682 0 40 DFAB Cc1c(C(=O)N2CCC2(C)C)nnn1-c1cccc2cccnc12 89556353 KEFXQUNSMPJUCW-UHFFFAOYSA-N 321.384 2.748 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 75582373 RAOHJMZOBDKXHM-MRXNPFEDSA-N 316.445 2.773 0 40 DFAB COc1ccc(CN2CCOCC2)nc1-c1ccc(F)cc1 68675275 HIHTVWZAVWBHRU-UHFFFAOYSA-N 302.349 2.729 0 40 DFAB O=C(Cc1ccc(Cl)cc1)Nc1cnc(N2CCCC2)nc1 65224818 INSYLMKTBGXCBM-UHFFFAOYSA-N 316.792 2.911 0 40 DFAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)NC(=O)N1 3844181 LLSJWXAWACNRQA-HNNXBMFYSA-N 312.325 2.651 0 40 DFAB biogenic CCc1cccc2c(CCNC(=O)NC3CCOCC3)c[nH]c12 78925048 HNXRUUULXFABKK-UHFFFAOYSA-N 315.417 2.751 0 40 DFAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(C(C)C)C2)n1 72359964 HLIMPMFKVTYWKK-AWEZNQCLSA-N 312.421 2.906 0 40 DFAB CCC(C)(C)C(=O)NCCc1c(OC)cc(OC)cc1OC 78567636 YPOUAQJCHIALEZ-UHFFFAOYSA-N 309.406 2.807 0 40 DFAB CC[C@H]1C(=O)O[C@H]2OC(c3ccccc3)(c3ccccc3)N[C@H]21 31672080 INOKXHPHRRQOTE-RYRKJORJSA-N 309.365 2.785 0 40 DFAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 72227349 HEIHGSLMAMKPIP-KGLIPLIRSA-N 317.186 2.864 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccccn3)n2)CN1c1ccccc1 44213917 AFXDVUIEBSVFOR-GFCCVEGCSA-N 306.325 2.652 0 40 DFAB CCS(=O)(=O)c1ccc(NCc2cccnc2N(C)C)cc1 225517409 XMHIVHZWTKACJE-UHFFFAOYSA-N 319.430 2.553 0 40 DFAB CC(C)CC[C@@]1(C)NC(=O)N(CCOc2ccccc2F)C1=O 40059264 KSQPDWKTNKAFJW-QGZVFWFLSA-N 322.380 2.951 0 40 DFAB CC[C@H](C(=O)NCc1ccnc(N2CCCC2)n1)c1ccccc1 224199958 MNBLIJSXOJWWJF-KRWDZBQOSA-N 324.428 2.887 0 40 DFAB COc1cc(NC(=S)NCc2ccc(Cl)cc2)ncn1 225182208 GVPYYWUMNOSQRL-UHFFFAOYSA-N 308.794 2.625 0 40 DFAB O=C(O)[C@@H](Cc1ccccc1)N1CCN(c2ccccc2)CC1 225140762 YQCNDHXNVQUYML-GOSISDBHSA-N 310.397 2.505 0 40 DFAB CCOc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1 42646618 MQXWLSIELXCWMT-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1F 95452593 WPQNXYCEWWBNNT-JTQLQIEISA-N 304.296 2.751 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)n1 230110778 WCJCBZLXCXTSMP-FRRDWIJNSA-N 322.409 2.641 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccn2)CC1 96301157 AXIDLPUTKNXRHE-AWEZNQCLSA-N 305.422 2.961 0 40 DFAB O=C(NCCCF)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490628 PJSAQKGYMUBIJN-QWHCGFSZSA-N 300.761 2.829 0 40 DFAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1ccco1)CC2 96197761 IAQXQTAFQRZQTQ-MRXNPFEDSA-N 301.390 2.539 0 40 DFAB CO[C@H](CNc1ccccc1S(C)(=O)=O)c1ccccc1 96429149 KOICAUAAZHCDHP-OAHLLOKOSA-N 305.399 2.890 0 40 DFAB CC(C)C(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257281150 ONWATUSCQMTGFU-OAHLLOKOSA-N 300.402 2.841 0 40 DFAB COc1ccc([C@H]2CNCCN2C(=O)c2ccsc2)cc1 257314402 UWTYCGKXEDWTLM-OAHLLOKOSA-N 302.399 2.543 0 40 DFAB Oc1cc([C@H]2CCCCN2CCC(F)(F)F)nc2ccnn12 257324765 WQBIKHOBDGVCFA-LLVKDONJSA-N 314.311 2.914 0 40 DFAB Cc1cc(N2CC3(CCCCC3)OC2=O)nc([C@H]2CCCN2)n1 257295011 QWPHVVXOFSMQNY-CYBMUJFWSA-N 316.405 2.869 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 257342917 ZQPDMCITHCWGHM-CQSZACIVSA-N 314.389 2.730 0 40 DFAB Cc1ccsc1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257265291 LYAROYRQEHDPDY-RBSFLKMASA-N 322.474 2.506 0 40 DFAB CCO[C@@H]1C[C@@](O)(CNc2ncnc3ccsc23)C1(C)C 682723027 KKYNKIJGOPGKHD-IAQYHMDHSA-N 307.419 2.669 0 40 DFAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)C1CCC1 96103709 CYLKGDOPIXIZCJ-UHFFFAOYSA-N 301.312 2.696 0 40 DFAB COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)C3=CC1 96316411 UDBMORSDGOBDDA-HNAYVOBHSA-N 313.397 2.759 0 40 DFAB biogenic,in-vitro COc1ccc(C2=NO[C@@H](C(=O)N(C)C3CCCCC3)C2)cc1 5029172 UHRYBYHCEYZZHP-QGZVFWFLSA-N 316.401 2.979 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)CN(C)CCOc2ccccc2)[C@@H]1C 12774858 VTZICEVSZGJKPF-JZXOWHBKSA-N 318.461 2.938 0 40 DFAB Cc1nc(C)c(C(=O)OCC(=O)N[C@H](C)c2cccs2)s1 13102437 ZUXXIAUQHIXXLY-MRVPVSSYSA-N 324.427 2.856 0 40 DFAB COCc1cc(C)nc2c1[C@H]1N=C(CC(C)C)NC(=O)[C@@H]1S2 15107187 MMBNGYUCQQBDSU-ZIAGYGMSSA-N 319.430 2.626 0 40 DFAB COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C)c2)CC1=O 16028532 REFAJFYJDIAOFL-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB c1ccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 19371805 WJEWGQVGJSDWOR-AWEZNQCLSA-N 307.357 2.516 0 40 DFAB CC(C)c1nc2n(n1)CCC[C@@H]2NC1CCC2(CC1)OCCO2 156317899 PPINTMFXXBAGSW-AWEZNQCLSA-N 320.437 2.512 0 40 DFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 3278123 BBVPTOVGZUPXIX-HNNXBMFYSA-N 315.756 2.992 0 40 DFAB in-vitro Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F 11691822 IXPFSHJREBIZCZ-UHFFFAOYSA-N 322.303 2.706 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)NCCc1nc2ccccc2[nH]1 10356624 CCPIXZCKFUSHHQ-QWHCGFSZSA-N 300.406 2.983 0 40 DFAB COc1ccc(CN=c2[nH]c(SC)ncc2C)c(OC)c1 1888882178 SQWXBKXXQHGGAX-UHFFFAOYSA-N 305.403 2.558 0 40 DFAB O=C(c1ccccc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775966092 SWBIJVQYFSQBOC-UHFFFAOYSA-N 323.396 2.598 0 40 DFAB O=C(CSc1ccccn1)NCCOc1ccccc1F 15415802 WEQPAOINHOBWNC-UHFFFAOYSA-N 306.362 2.508 0 40 DFAB C[C@H]1C[C@H](C)CN(CCNC(=O)NCc2ccccc2F)C1 40119921 JVPGEBYJRGVCHQ-KBPBESRZSA-N 307.413 2.603 0 40 DFAB Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1C 40118544 AHSPLHBSMZDSDU-UHFFFAOYSA-N 317.410 2.507 0 40 DFAB O=C(C[C@H]1C=CCC1)NCCC(=O)N1CCCc2ccccc21 40542465 IUVJWXJGXCFXEX-HNNXBMFYSA-N 312.413 2.828 0 40 DFAB O=c1c(NCCC2=CCCCC2)c(NCc2ccncc2)c1=O 101699893 BHXICKGQURIYKV-UHFFFAOYSA-N 311.385 2.592 0 40 DFAB C[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 102300432 KVXZJTQTNRUDEA-RFGFWPKPSA-N 314.385 2.535 0 40 DFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1 33042441 UWZDYSLNWSBZBZ-UHFFFAOYSA-N 318.336 2.944 0 40 DFAB CC(C)C(=O)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 504425 YMGYDQXLVCYDJF-ZDUSSCGKSA-N 318.270 2.669 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1C 806837 ODWBDEGKIAVYKL-LBPRGKRZSA-N 315.398 2.752 0 40 DFAB CSc1ccccc1NC(=O)CSc1cccc[n+]1[O-] 3222836 AUVKVSVUQCVONU-UHFFFAOYSA-N 306.412 2.773 0 40 DFAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccccc1 3228353 NFUHZAGEZQKTFZ-UHFFFAOYSA-N 324.130 2.838 0 40 DFAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)[C@H]1CCC(=O)N1 3259551 VYTIXNRCBXDAIV-OAHLLOKOSA-N 303.402 2.923 0 40 DFAB C[C@H]1CCc2sc(C(=O)OCC(=O)NC(C)(C)C)cc2C1 3382317 QYUQVLDYNFECCT-JTQLQIEISA-N 309.431 2.944 0 40 DFAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccc2c(c1)OCO2 4151131 NPAOZDVCPCBGJV-UHFFFAOYSA-N 301.685 2.869 0 40 DFAB O=C(OCCCOc1ccc(F)cc1)c1ccc(O)cc1O 5103636 AONFADPMCKXGFA-UHFFFAOYSA-N 306.289 2.863 0 40 DFAB CCOCC(=O)NCCc1sc(-c2cccc(F)c2)nc1C 5137121 JDCYNZMFTIVOTH-UHFFFAOYSA-N 322.405 2.953 0 40 DFAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(C)cc1O 5225524 KKEQEBKWTPJSRZ-UHFFFAOYSA-N 318.300 2.888 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cnccn1 6486401 FOOJLBCHMYDTRI-NSHDSACASA-N 309.325 2.695 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)c(C)o1 7745033 JJKGBAGNLSZZNU-LBPRGKRZSA-N 319.361 2.858 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(c1)OCO2 8134550 SCINWIAMDQYCHW-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 8699260 HMAXDKCSXKNKKD-CHWSQXEVSA-N 321.373 2.730 0 40 DFAB COc1ccc(Nc2nc(Cl)nc3[nH]cnc23)cc1OC 9422350 INWYFOAOWVWSKL-UHFFFAOYSA-N 305.725 2.767 0 40 DFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CC1 11772723 GDIMMGJIGIVQKH-UHFFFAOYSA-N 308.385 2.711 0 40 DFAB Cc1ccc2cc3c(nc2c1)OCC(=O)N(Cc1cccnc1)C3 12113099 YSAAJXLVWFBTMK-UHFFFAOYSA-N 319.364 2.859 0 40 DFAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12645146 SLGYEAIBMWITOF-LLVKDONJSA-N 310.357 2.604 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc3ccccc3c2)C1 13170510 TVFSSBPDKOUBID-OAHLLOKOSA-N 313.353 2.542 0 40 DFAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1cccs1 13309099 WLNRODHLYTZRIT-ZETCQYMHSA-N 317.413 2.547 0 40 DFAB O=C(O)CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 13429053 IZBIMAWQFLEMHV-UHFFFAOYSA-N 315.344 2.872 0 40 DFAB COc1ccc(OC)c(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 13972387 NGAFOTGZGOBTHF-UHFFFAOYSA-N 320.370 2.924 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)NCc1nc2ccccc2[nH]1 16694544 VECDDIZDDBLDAE-UHFFFAOYSA-N 305.381 2.911 0 40 DFAB Cc1oc(C)c(C(=O)OCc2cc(=O)n3ccccc3n2)c1C 16698475 JRHSTFDSSRQNFY-UHFFFAOYSA-N 312.325 2.570 0 40 DFAB COC(=O)C1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 17116247 TYRJMVBZQZQCMO-AWEZNQCLSA-N 318.417 2.602 0 40 DFAB CCn1cc(-c2cncn2C[C@@H](C)N2CCC(C)CC2)cn1 19719620 ORGNJNINDQJPCU-OAHLLOKOSA-N 301.438 2.887 0 40 DFAB CCN1CCC[C@H]1Cn1cnc2c([nH]c3ccc(C)cc32)c1=O 20262805 KOQZPJWLSYLRHV-ZDUSSCGKSA-N 310.401 2.671 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(C)n1C 24561251 IXCVLVJHHBSNBA-UHFFFAOYSA-N 311.307 2.986 0 40 DFAB O=C(NC[C@@H]1OC=Cc2ccccc21)[C@@H]1COc2ccccc2O1 26895370 FFHPERKUCAAJIO-ROUUACIJSA-N 323.348 2.685 0 40 DFAB Cc1nc(C)n(C[C@@H](O)Cn2c(C)c(C)c3cc(F)ccc32)n1 28297191 XSAVNRJISQVPKW-HNNXBMFYSA-N 316.380 2.667 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c(C)o1 29075128 UYCBOVSPDRQJGW-AWEZNQCLSA-N 310.357 2.916 0 40 DFAB CN(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1cccs1 30986161 KSBWSBNXVXFZRN-AWEZNQCLSA-N 321.421 2.989 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCc2ccccc21 32843583 RDXKDBJQEPLPMP-CQSZACIVSA-N 304.390 2.705 0 40 DFAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(C)sc2c1 32981807 VGVLKQSWFSFOPK-AMIZOPFISA-N 320.418 2.626 0 40 DFAB CCCCc1ccc(C(=O)N[C@H](CCSC)C(=O)O)cc1 36971593 WBKNVSJKTVPXQB-CQSZACIVSA-N 309.431 2.965 0 40 DFAB COc1cc(-c2n[nH]c(-c3ccco3)n2)cc(OC)c1OC 40174249 IPWVKYXJJGPXDI-UHFFFAOYSA-N 301.302 2.758 0 40 DFAB Cc1ccccc1S(=O)(=O)NC(=O)CCc1ccccc1F 40543722 IXUHGYSVYJOVGX-UHFFFAOYSA-N 321.373 2.572 0 40 DFAB Cc1ccc(NC(=O)CCCCNC(N)=O)cc1C(F)(F)F 41851199 IDBURHRCJVCXRM-UHFFFAOYSA-N 317.311 2.791 0 40 DFAB O=C1Nc2ccccc2/C1=N\Nc1ccc(Cl)c(C(=O)O)c1 43776848 SCVSBTCWRXEFSA-UHFFFAOYSA-N 315.716 2.807 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1n[nH]c2ccccc12 47553593 MRMPEIYXAQQJKO-UHFFFAOYSA-N 322.246 2.522 0 40 DFAB COc1ccccc1N(C)C[C@H](O)COCc1ccccc1F 48273985 AMSYNDDMIOMNKC-HNNXBMFYSA-N 319.376 2.848 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(Cl)sc1Cl 49098815 VTCGNQUHWIPANR-RQJHMYQMSA-N 321.229 2.781 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncc3ccccn23)C1 49783026 VXLRWDUJLBUXRO-CHWSQXEVSA-N 303.431 2.931 0 40 DFAB COc1ccc2nc(C)c(C(=O)N3CCSCC3)cc2c1 53818159 WNUJAWAVGNNOMA-UHFFFAOYSA-N 302.399 2.741 0 40 DFAB CCOCCO[C@@H](C)C(=O)NCc1ccsc1-n1cccc1 57356529 SQHKTJGRXOUDCB-ZDUSSCGKSA-N 322.430 2.597 0 40 DFAB CCOC(=O)CN(CC(=O)Nc1cccc(Cl)c1C)C1CC1 58440460 ZYEAXEHFMHPDNQ-UHFFFAOYSA-N 324.808 2.614 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nnc(C(F)F)s1 58699703 WPFASFWTPVMLHI-RXMQYKEDSA-N 315.349 2.568 0 40 DFAB CC(C)CN(C)Cc1nc(O)c2cnn(-c3ccccc3)c2n1 65423409 HYADTKCXNDJZBJ-UHFFFAOYSA-N 311.389 2.609 0 40 DFAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1cccnc1 65575935 UGYKXAFGSSJOPK-ZDUSSCGKSA-N 301.438 2.855 0 40 DFAB CCn1c(Cn2cnc3ccccc3c2=O)nc2cc(F)ccc21 66256188 VVHSWQPHLAIFNT-UHFFFAOYSA-N 322.343 2.954 0 40 DFAB Fc1ccc([C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)cc1F 66815239 YEHFWOQOBGZBRS-AWEZNQCLSA-N 316.311 2.814 0 40 DFAB CC(C)CN(C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 68405234 DQOCBMQKFLCTCP-UHFFFAOYSA-N 304.369 2.809 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)Nc1cccc(Cn2cncn2)c1 69183000 WQJDSKXSRHXZNR-CQSZACIVSA-N 311.389 2.804 0 40 DFAB Cc1noc([C@H](C)S(=O)(=O)Cc2ccccc2Cl)n1 69380657 HCJHTTOYGLGXRK-QMMMGPOBSA-N 300.767 2.707 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 69630645 FGFPOBPPQGNHSL-KYOSRNDESA-N 318.808 2.780 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](n2ccnc2)C1 69659474 ZRUDCLXYAGWRQC-MRXNPFEDSA-N 309.369 2.523 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)n[nH]1 69744345 WZJFIXHPKDQCQK-UHFFFAOYSA-N 312.373 2.694 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCCOc1ccccc1 69927299 FIMVAKBMPBNHFG-MOPGFXCFSA-N 316.445 2.931 0 40 DFAB CC(C)c1nc2n(n1)C[C@@H](Nc1ncnc3ccsc13)CC2 70005724 FTPNILLLOBMBOG-JTQLQIEISA-N 314.418 2.833 0 40 DFAB C[C@@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 71186032 KHBWWOJTCCSAJE-LLVKDONJSA-N 323.824 2.672 0 40 DFAB COCCCNC(=O)c1cc(C)nc2c1cnn2C1CCCC1 71284244 RPXPIIMLLUGVDT-UHFFFAOYSA-N 316.405 2.621 0 40 DFAB C[C@H](Nc1cccc(CO)c1)C(=O)N(C)Cc1cccc(F)c1 71808376 UMIYVJLWKIMDQB-ZDUSSCGKSA-N 316.376 2.777 0 40 DFAB CCOc1ccccc1C1=CCN(C(=O)c2ccc[nH]c2=O)CC1 71841795 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COC(=O)c1c(Br)cc(Br)c(N)c1C 78963001 RIVNCZOVJBGLIT-UHFFFAOYSA-N 322.984 2.889 0 40 DFAB in-vitro Cc1cccc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1O 78997652 YRYAPTNAWYNSIK-IVZQSRNASA-N 317.410 2.550 0 40 DFAB CCN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1 79391692 VTXBOHJYLGVMGC-UHFFFAOYSA-N 320.433 2.538 0 40 DFAB CCn1cc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)cn1 81165299 ICPQPFLOAOFBKM-CYBMUJFWSA-N 313.405 2.775 0 40 DFAB O=C(CO[C@H]1CCOC1)N1CC2(CCCC2)c2ccccc21 81578312 YSZZDPULTCMBGB-AWEZNQCLSA-N 301.386 2.651 0 40 DFAB C[C@H]1CCC[C@@H](C)CN1C(=O)CCOc1cccc(C(N)=O)c1 81787872 PSFBMPRBFKOPHF-KGLIPLIRSA-N 318.417 2.592 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 84026761 RXURYLZSPSEJLE-SDDRHHMPSA-N 324.494 2.589 0 40 DFAB CCSc1ccc(Cl)cc1C(=O)NCCn1cnnc1C 84301037 QSIDDBCYQONVKH-UHFFFAOYSA-N 324.837 2.782 0 40 DFAB COCc1ccc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)o1 84637080 BRBFKYQGHYVANI-WFASDCNBSA-N 303.358 2.668 0 40 DFAB CCCCN(C)CC1CCN(c2cccnc2C(=O)OC)CC1 84744342 UPBPSJXIZYWQPY-UHFFFAOYSA-N 319.449 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200912179 AGEVKGGOAARXHW-UHFFFAOYSA-N 300.314 2.564 0 40 DFAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cc(C2CC2)on1 211117708 QWERXKGWNONQAX-OAHLLOKOSA-N 311.385 2.951 0 40 DFAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NCC 224392632 XKOFQKPRDRHFRY-HNNXBMFYSA-N 308.397 2.869 0 40 DFAB O=C(NCc1ccccn1)c1cc2cccc(Cl)c2oc1=O 226039139 ZEPWWAKADYRNRV-UHFFFAOYSA-N 314.728 2.771 0 40 DFAB CCOC(=O)N[C@H]1[C@H]2CC[C@@](C)([C@H]1NC(=O)OCC)C2(C)C 245240596 QLDRUUOHQNVXRC-YRORDHRNSA-N 312.410 2.672 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 253370536 SDJWHVCKGXCUJY-LXTVHRRPSA-N 313.511 2.642 0 40 DFAB CO[C@H]1CN(C(=O)c2ccccc2Cl)CC[C@@]12CCCO2 257301493 RYRLKWYEHVVMGH-HOCLYGCPSA-N 309.793 2.750 0 40 DFAB c1cnc2ccc(C[C@H]3COCCN(Cc4ncc[nH]4)C3)cc2c1 257307449 SYRDJHFRJPCGNQ-MRXNPFEDSA-N 322.412 2.649 0 40 DFAB Cn1nccc1-c1cncc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257343425 ZSZKIQPOFUCLDD-HNNXBMFYSA-N 313.405 2.587 0 40 DFAB O=C(O)[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)c(F)c1 262242297 BPQAZZQKTIWRCO-HFAYUQKSSA-N 323.751 2.933 0 40 DFAB O=C(Cc1cncs1)Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1 276238463 NWMHNWVEQQVDSF-NHCYSSNCSA-N 302.403 2.951 0 40 DFAB Cc1c2ccc(NC(=O)N[C@]34C[C@@H]3COC4(C)C)cc2nn1C 529103538 IKHKNCWUZLWUKS-PIGZYNQJSA-N 314.389 2.571 0 40 DFAB CN(Cc1ccc([S@@](C)=O)cc1)Cc1csc(C(=O)O)c1 576352642 AYRDQINPTOZREU-OAQYLSRUSA-N 323.439 2.816 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc[nH]n1 583650519 XDDWFTZNVGRHJF-NSHDSACASA-N 307.419 2.747 0 40 DFAB Cc1ncc(CN(CCC(=O)O)Cc2cccc(F)c2F)cn1 584118702 HZHGVKFUAWBDRW-UHFFFAOYSA-N 321.327 2.540 0 40 DFAB CC[C@@H](Sc1ccccc1)C(=O)NCc1nc(C)cc(O)n1 585141615 VZSGIYBBECUKFT-CYBMUJFWSA-N 317.414 2.678 0 40 DFAB Cc1ccc(OCCNC(=O)C(F)(F)c2ccncc2)cc1 585141627 YCPRSNRZRJRPCK-UHFFFAOYSA-N 306.312 2.677 0 40 DFAB O=C1CC2(CCN(C(=O)c3cccs3)CC2)CN1CC1CC1 1565542320 QFPBQZDRORFAMG-UHFFFAOYSA-N 318.442 2.613 0 40 DFAB O=C(O)c1c(C(F)(F)F)nc2cc(Br)ccn12 1848350354 OWLPMLXFDJNYRV-UHFFFAOYSA-N 309.041 2.814 0 40 DFAB CC(=O)Nc1nccc2c1cnc1c(-c3ccccc3)cnn12 2033970178 UEEYZKZQBRCKLV-UHFFFAOYSA-N 303.325 2.903 0 40 DFAB COc1ccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)cc1 2086950007 PNTREYDGPIPFDN-UHFFFAOYSA-N 314.385 2.588 0 40 DFAB O=C(NC1CCC1)c1cn(Cc2ccc3ccccc3c2)nn1 2087066573 UBGMEXZIQOSDPQ-UHFFFAOYSA-N 306.369 2.762 0 40 DFAB CCOc1ccccc1CSCCN1C(=O)NC(C)(C)C1=O 46587154 NAYSEXCYVNFPBM-UHFFFAOYSA-N 322.430 2.649 0 40 DFAB CCc1nc2n(n1)C[C@H](NCc1ncc(-c3ccccc3)o1)CC2 69739529 IFSYYVCKXMQKMY-CQSZACIVSA-N 323.400 2.600 0 40 DFAB O=C(Nc1ccc(COC2CCCC2)cc1)N1CC[C@H](O)C1 76070159 WYGUIZOEVTVMNC-HNNXBMFYSA-N 304.390 2.744 0 40 DFAB NC(=O)c1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 76068836 CFEGCSKCQBURBK-OAHLLOKOSA-N 323.396 2.882 0 40 DFAB CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1O 1673464 DNVYQQSODDAZNM-UHFFFAOYSA-N 300.314 2.682 0 40 DFAB C[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccs1 78992932 ZFSAGWQFIKIAJM-JOYOIKCWSA-N 322.352 2.560 0 40 DFAB NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 552164 UNHGDGIIARDGAZ-UHFFFAOYSA-N 304.419 2.738 0 40 DFAB CCN1CCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 79216374 DJJCJZRHWUSQBK-HNNXBMFYSA-N 319.449 2.882 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@H](C)c2cc3ccccc3o2)on1 72301842 VNWCZGXRMSXKKF-LLVKDONJSA-N 320.370 2.910 0 40 DFAB CC[C@@H](Nc1ccc(OC)cc1OC)C(=O)Nc1cc(C)on1 22356397 CKBQTKNXLCEWGE-GFCCVEGCSA-N 319.361 2.829 0 40 DFAB COc1ccc(-c2nnc([C@H](C)N3CCC(OC)CC3)o2)cc1 54118368 SJWDIOGPGLHGBH-LBPRGKRZSA-N 317.389 2.917 0 40 DFAB CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 9513149 QPWNIIPWIOJZGT-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](O)C3)n2)cc1F 106820703 MWVUPNLGYHWFGI-DGCLKSJQSA-N 305.353 2.702 0 40 DFAB COc1cc(C)ccc1S(=O)(=O)Nc1cccc(C(=O)O)c1 53944082 BEWQWVDJCZQTTG-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=S)NCCc1ccccc1 44137700 JAUGENAGKNXGBQ-OAHLLOKOSA-N 314.458 2.504 0 40 DFAB C[C@@H](O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100259704 FVCMFOLIVJPKLR-HWOJHCLVSA-N 317.385 2.800 0 40 DFAB c1ccc(Cn2ccnc2CN2C[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2)cc1 102704958 XENPADVYIIMZBP-BDXSIMOUSA-N 309.413 2.541 0 40 DFAB COc1ccc(NC(=O)c2cncc(Br)c2)c(N)c1 20480812 OIMBIINBHVWAAG-UHFFFAOYSA-N 322.162 2.687 0 40 DFAB COCCN1COc2c(Cl)cc3c(C)cc(=O)oc3c2C1 57142932 TXZKHGPGHRMUSZ-UHFFFAOYSA-N 309.749 2.553 0 40 DFAB CCC[C@H](NC(=O)CNC(=O)c1ccoc1C)c1ccccc1 48229251 MBLYXHMTXNKJSF-INIZCTEOSA-N 314.385 2.975 0 40 DFAB COCCOc1ccc(CNc2cnc3ccccc3n2)cn1 44976371 IYUWWELWKHTPOB-UHFFFAOYSA-N 310.357 2.662 0 40 DFAB COc1ccccc1-c1cc(NC(=O)CCOC(C)C)[nH]n1 58327194 LLTAMYCZCVUWIE-UHFFFAOYSA-N 303.362 2.839 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 10752236 FARFHQJIOFNDOS-MRXNPFEDSA-N 303.383 2.661 0 40 DFAB COCc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 36393465 KHAZEUMMSGYXHT-HZPDHXFCSA-N 318.461 2.931 0 40 DFAB CCN1C[C@@H](C(=O)N2CCCc3cc(C(C)C)ccc32)CC1=O 58787698 MTSQMDRAMCBKFH-INIZCTEOSA-N 314.429 2.958 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 58706181 FTXGCIFCKDVHFT-CIISACIHSA-N 315.392 2.952 0 40 DFAB FC(F)(F)Oc1ccc2nc(N3CCNCC3)sc2c1 36657659 IFWQLRCODRPXKE-UHFFFAOYSA-N 303.309 2.605 0 40 DFAB in-vitro Cc1ccc(F)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1 36726693 FCUIYOSEMICGLN-UHFFFAOYSA-N 311.316 2.633 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 29246963 XHPBDJAKGVWFMQ-OAHLLOKOSA-N 310.401 2.982 0 40 DFAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(N)=O 3402332 JOOPDVZWXFFRBR-JTQLQIEISA-N 318.446 2.746 0 40 DFAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccn(C)c(=O)c1 48464053 GGSUFSGSNXOAGQ-ZDUSSCGKSA-N 314.385 2.664 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)NC[C@H](C)Cn1nc(C)cc1C 110637566 YLUAOELFMLFMON-NILFDRSVSA-N 324.494 2.719 0 40 DFAB O=C(O)[C@H]1CCCCN1Cc1ccc(Br)s1 3755735 JMRCECGVTOYJRF-SECBINFHSA-N 304.209 2.950 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 13468673 KDOHIVFTVQIUNM-MJBXVCDLSA-N 317.385 2.848 0 40 DFAB CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cncn2)CC1 71799718 XUCHBWHLISBJSI-CVEARBPZSA-N 319.453 2.839 0 40 DFAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC2(CC1)OCCO2 5348467 OAYFQRBHKDVBAN-UHFFFAOYSA-N 320.776 2.800 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 4524798 QJGPQPHSQTVVCQ-UHFFFAOYSA-N 309.580 2.978 0 40 DFAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 6652639 QRGKVBDONFCNLK-NSHDSACASA-N 314.776 2.962 0 40 DFAB C[C@@H](C[S@@](C)=O)N(C)c1nc(C(F)F)nc2ccccc12 96011433 FOTQOCXIUNFWHR-FPVGNUTFSA-N 313.373 2.771 0 40 DFAB CCn1nc(C)c(CNC(=O)NCCc2cccc(C)c2)c1C 67413925 NHVLGFULWUFFGB-UHFFFAOYSA-N 314.433 2.870 0 40 DFAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1 20107767 JZWUBAFURNLXGZ-AWEZNQCLSA-N 312.866 2.985 0 40 DFAB O=C(c1cccnc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19723115 MJQYMTLDSCPOBC-UHFFFAOYSA-N 320.396 2.521 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2n1 9313950 JBROPNJSHBJLPU-UHFFFAOYSA-N 315.764 2.955 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(CO)o1 93611369 BJRVDYDMYVUVIU-MRXNPFEDSA-N 314.429 2.868 0 40 DFAB CNC(=O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1 91100102 JQOCZKBXMFECCC-UHFFFAOYSA-N 300.324 2.631 0 40 DFAB COc1cc(NC(=O)[C@@H]2COc3ccccc3C2)cc(OC)c1 8113693 IHVRYYCYCYPLQX-ZDUSSCGKSA-N 313.353 2.894 0 40 DFAB C[C@@H](Cc1cccs1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 93705960 OSYHGFHLLWQPKI-LBPRGKRZSA-N 305.447 2.841 0 40 DFAB C[C@H]1C[C@@H](Sc2nc(C3CC3)n(-c3ccccc3)n2)C(=O)O1 8230468 VTAADRHYAMLIIS-GXFFZTMASA-N 315.398 2.941 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)[C@H](C)NC(=O)CC1CCCCC1 69348914 ODFJJUXJPUXDKI-KBPBESRZSA-N 320.433 2.802 0 40 DFAB Nc1nc(CN2CCc3ccccc32)nc(Nc2ccccc2)n1 9470929 YIYWOYJPUVJUCY-UHFFFAOYSA-N 318.384 2.760 0 40 DFAB CC[C@H](C)NC(=O)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 69513169 XCRJZPCYKBFNNO-JTQLQIEISA-N 321.808 2.856 0 40 DFAB COc1cccc(N2CC[C@@H](CNC(=O)[C@H]3CC=CCC3)C2)c1 69657513 GAFKKLMDMAYNNJ-HOTGVXAUSA-N 314.429 2.994 0 40 DFAB CCn1ccnc1CSc1nc(-c2ccc(OC)cc2)n[nH]1 71851884 AYQAXEBKKUHDPK-UHFFFAOYSA-N 315.402 2.989 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@]1(C)CC1(Cl)Cl 71899988 OQXXCXGDYUNDDQ-KRTXAFLBSA-N 304.221 2.798 0 40 DFAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC1CCCC1 9638564 IQBLWEOYWIYCBL-LLVKDONJSA-N 308.451 2.544 0 40 DFAB CC(C)OC(=O)c1ccn(Cc2ncoc2C(C)C)c(=O)c1 97376165 QMKVINSBEWRKJZ-UHFFFAOYSA-N 304.346 2.573 0 40 DFAB CN(C(=O)c1csc2ccccc12)C1(C(N)=O)CCCC1 97047416 SDEUZUKZKITORG-UHFFFAOYSA-N 302.399 2.771 0 40 DFAB CCn1ncc2c1CCC[C@H]2NCc1cccc2c1OCCO2 72298432 XMAHCRJOQWRWIO-OAHLLOKOSA-N 313.401 2.841 0 40 DFAB CCCc1nc(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1 72280542 OYRMTLGGCIVHRQ-UHFFFAOYSA-N 319.430 2.639 0 40 DFAB C[C@H](Oc1ccccc1NC(=O)NCCO)c1ccccc1 72286359 DPKAEZMFUNLTBV-ZDUSSCGKSA-N 300.358 2.940 0 40 DFAB Cc1nc(Cl)cc(N2CC[C@H](OCCN3CCCCC3)C2)n1 84271796 HXGZQTRKAGWLNV-AWEZNQCLSA-N 324.856 2.520 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2cc(C)no2)o1 97148058 LZHGNKNUYGTGHR-AWEZNQCLSA-N 319.361 2.769 0 40 DFAB CN(CCOCc1ccccc1)C(=O)c1[nH]nc2c1CCCC2 95410810 OTRJWCFDQSBUJX-UHFFFAOYSA-N 313.401 2.577 0 40 DFAB CCC(=O)c1cccc(S(=O)(=O)N(CC(F)F)C2CC2)c1 95430849 UKEAESQZOSPOQY-UHFFFAOYSA-N 317.357 2.698 0 40 DFAB COc1cc(NC(=O)c2sc(N(C)C)nc2C)cc(OC)c1 95452386 UVBBPYONKDIWKN-UHFFFAOYSA-N 321.402 2.787 0 40 DFAB CC(C)c1nn(C)cc1[C@H]1NC(=O)CN1CCC1CCCCC1 95938983 XERYAQXPDLPFHB-SFHVURJKSA-N 318.465 2.944 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F 95995089 TXOXDEGGCAAREO-HBNTYKKESA-N 308.344 2.590 0 40 DFAB Cc1cc(C)c(CNC(=O)C2CC(c3ccccc3)C2)c(=O)[nH]1 75124418 JZSBNNGZXWRFAI-UHFFFAOYSA-N 310.397 2.802 0 40 DFAB C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)C[C@@H](C)S1 89842054 MUZBXVZWSSUGMS-NXEZZACHSA-N 316.373 2.692 0 40 DFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H]1c1ccsc1 89885438 KNAOZJKLVDOXEQ-HNNXBMFYSA-N 314.410 2.902 0 40 DFAB C[C@@H](CCc1ccccc1)N1CCC(N2CCN(C)C2=O)CC1 75604187 KUNCEOJXJTZQIM-INIZCTEOSA-N 315.461 2.840 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NCCCCc2ccccc2)c1 408707922 SVGHATXVDNFMKB-UHFFFAOYSA-N 324.424 2.750 0 40 DFAB COC(=O)c1cc2c(=O)n(Cc3ccc(C)cc3)ccc2nc1C 38784169 VVTILGYNKXDCGI-UHFFFAOYSA-N 322.364 2.848 0 40 DFAB COC(CN[C@H](c1ccccc1)[C@H](O)c1ccccc1)OC 3847455 QUBDABGAJOMQTH-QZTJIDSGSA-N 301.386 2.670 0 40 DFAB biogenic CCn1ncc(C)c1NC(=O)c1cc(O)nc2cc(F)ccc12 1531392798 UVSWSNFTDZEDLP-UHFFFAOYSA-N 314.320 2.857 0 40 DFAB COc1cccc([C@@H]2C[C@H](O)CN2c2noc(C(C)(C)C)n2)c1 520255518 PBZSMCIRDJOQTB-JSGCOSHPSA-N 317.389 2.688 0 40 DFAB CCOC(=O)[C@@H](CN)[C@@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216351690 ZVWBFUVUIJMJET-QXGSTGNESA-N 322.493 2.805 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1cccc(Cl)c1F 77671377 JSVZSUPXYRQERI-QMMMGPOBSA-N 306.790 2.715 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2ccnn2-c2ccccc2C)n1 79094873 SGUASWRSNUXDOA-UHFFFAOYSA-N 309.373 2.633 0 40 DFAB Cc1ccccc1CC(C)(C)NCc1c(C)nn(CCO)c1C 78553804 KKONVWMWOUIEJV-UHFFFAOYSA-N 315.461 2.912 0 40 DFAB Cc1c(CCC(=O)N2CC[C@H](C)c3cccc(O)c32)cnn1C 186321935 GELWVRMLWJSMLB-LBPRGKRZSA-N 313.401 2.907 0 40 DFAB CC(C)Cn1cc(C(=O)N2CCCCC[C@@H]2c2ncon2)cn1 189623839 WMLJBDRTFYHHST-CQSZACIVSA-N 317.393 2.680 0 40 DFAB COc1ccccc1-c1nccnc1C1CCN(C(C)=O)CC1 72358424 JRLVFELYFCKQOL-UHFFFAOYSA-N 311.385 2.878 0 40 DFAB CCOC(=O)C1=NN(c2cccc(Cl)c2C)[C@](C)(C(=O)O)C1 71979670 STHLBMYEUVHTFO-HNNXBMFYSA-N 324.764 2.621 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccncc1F 184118511 HLJNRWCBWBHWGB-UHFFFAOYSA-N 313.336 2.851 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 74928423 LALQXMOYUZVHEA-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB CC(C)Oc1ccc(Br)cc1NC(=O)CN(C)C 135195825 PZWNIQLBUFEAKM-UHFFFAOYSA-N 315.211 2.736 0 40 DFAB Cn1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)c1-n1cccc1 49548022 HCXJZVYSAGCUOA-UHFFFAOYSA-N 320.274 2.880 0 40 DFAB Cc1csc(NC(=O)[C@H](C)Oc2nn(C)c3ccccc23)n1 226755152 YSOWQBIRNYTMLX-JTQLQIEISA-N 316.386 2.744 0 40 DFAB Cc1nn2cccnc2c1C(=O)OC[C@H]1CCOc2ccccc21 195565079 GPKYUXWZNDHGLC-CYBMUJFWSA-N 323.352 2.761 0 40 DFAB Cc1noc(C)c1Cn1cc(-c2c[nH]nc2-c2ccccc2)nn1 82120558 MMYLHJSCAAUVLV-UHFFFAOYSA-N 320.356 2.988 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)c(OC(C)C)c1 195578385 BREJBIWASNILPR-GDBMZVCRSA-N 320.433 2.742 0 40 DFAB Cc1nc(Cl)cc(N(C)Cc2ccc([S@](C)=O)cc2)n1 96453883 XIYCUBVPNAUBFN-HXUWFJFHSA-N 309.822 2.812 0 40 DFAB Cc1ccc(OCCCC(=O)NN2CCCCC2=O)cc1C 96445256 BRMWFYXFRSLTFO-UHFFFAOYSA-N 304.390 2.506 0 40 DFAB CCOc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@@H](C)O)C1 96497108 AAWJPLOGZMMTLJ-NEPJUHHUSA-N 311.809 2.972 0 40 DFAB COc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)c(C)c1 96437388 JDDHJFBARVNUGZ-HNNXBMFYSA-N 321.323 2.745 0 40 DFAB CCc1cnccc1C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 578724964 IHILZKQHARIPRD-INIZCTEOSA-N 309.369 2.847 0 40 DFAB Cc1ccc([C@@H](N)c2n[nH]c(COc3ccc(F)cc3)n2)cc1 95534119 AAHQRBGLECGQQH-MRXNPFEDSA-N 312.348 2.879 0 40 DFAB c1cncc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 96218955 BJJMMGAIUOGYAJ-NVXWUHKLSA-N 315.442 2.989 0 40 DFAB COC[C@H](C)C(=O)N[C@H](C)Cc1ccccc1Br 96470661 PAXDBFTUBDICIU-WDEREUQCSA-N 314.223 2.779 0 40 DFAB COC(=O)[C@@]1(C)CCN(C(=O)Nc2ccc3c(c2)CCC3)C1 96470731 YLHXBMXIVVXDEL-KRWDZBQOSA-N 302.374 2.592 0 40 DFAB C[C@H](C(=O)Nc1n[nH]c2ccccc12)N1Cc2ccccc2C1=O 95480695 HJCGRCBAJCWASP-LLVKDONJSA-N 320.352 2.546 0 40 DFAB COC(=O)[C@H](c1ccccc1C)N1CC[C@@H]2OCCC[C@H]2C1 248634980 UZCDJECSIJDSTP-XIRDDKMYSA-N 303.402 2.710 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)nc(C)n1 257209964 BSOHIGSIPIIBBI-BLGFXRMMSA-N 323.396 2.707 0 40 DFAB COc1cc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)ccc1F 257211531 BZFXQCKYFFXOSZ-WMZOPIPTSA-N 320.408 2.858 0 40 DFAB Nc1nc2nc([C@H]3CCCNC3)cc(C(F)(F)F)c2s1 257207245 BGZKXOKFYOQCES-LURJTMIESA-N 302.325 2.759 0 40 DFAB C[C@H](NC(=O)c1ccc(O[C@H]2CCOC2)nc1)c1ccccc1 252522925 BKLVTLNTUQBNKM-BBRMVZONSA-N 312.369 2.740 0 40 DFAB CS[C@H](C)C(=O)Nc1ccccc1I 31663851 IFDIFAVMAOQDQT-SSDOTTSWSA-N 321.183 2.981 0 40 DFAB Cc1csc(C(=O)N2CCC[C@H](Oc3ccnc(C)n3)C2)c1 575606310 UUIIYJWOPXVTSZ-ZDUSSCGKSA-N 317.414 2.839 0 40 DFAB Cc1ccc2cc(CN[C@@H](CO)Cc3ccccc3)c(O)nc2c1 585293010 RDUIFCLBRLNXCR-GOSISDBHSA-N 322.408 2.942 0 40 DFAB O=C(Nc1cccs1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887250 RMRGHRZHPMOLMF-QWRGUYRKSA-N 303.391 2.740 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCC2(c3ccccc3)CCC2)cn1 66043012 CTSTWWKYEIGJGZ-IRXDYDNUSA-N 309.413 2.762 0 40 DFAB CCCN(Cc1cnn(C)c1)S(=O)(=O)/C=C/c1ccccc1 69654220 BUFIWICQLCMKRL-PKNBQFBNSA-N 319.430 2.633 0 40 DFAB COCCn1cc(NC(=O)N2CCC[C@H]2c2ccsc2)cn1 44973127 ONRSOBUYJDQFOW-AWEZNQCLSA-N 320.418 2.960 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)Cc2cccc(Cl)c2)C1 47000948 IJEFTOMBBQQSEZ-IUODEOHRSA-N 322.836 2.646 0 40 DFAB Cc1cnc(OC[C@H]2CCCN(Cc3csc(C)n3)C2)nc1 1776000740 HXCYSCCNNIMNKO-AWEZNQCLSA-N 318.446 2.841 0 40 DFAB CCn1cc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 88755522 WXNAFBHGBRPRDG-CYBMUJFWSA-N 306.360 2.550 0 40 DFAB CCc1ncnc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1F 556757663 CJDFXKHNWBPHLU-OKILXGFUSA-N 312.392 2.751 0 40 DFAB CCn1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 5213668 OFWVSEVEAZUBGW-UHFFFAOYSA-N 313.382 2.720 0 40 DFAB Cc1cc(S(=O)(=O)NCCCCCC(=O)O)cc(C)c1C 12863211 BVROJIGHCFMUET-UHFFFAOYSA-N 313.419 2.535 0 40 DFAB Cc1nc(-c2ccc(C(=O)NCCc3cnccn3)cc2)cs1 19285611 LDKITMMDEGPDQI-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB Cn1ncc(CN2CCC(CCC(=O)O)CC2)c1C(F)(F)F 516872942 VVCUHSSGFRSZDN-UHFFFAOYSA-N 319.327 2.516 0 40 DFAB CCOc1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 6305709 IVSZKKMLJKUHFE-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB CCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 5193145 SFKGWFZHVUNIEL-HNNXBMFYSA-N 324.380 2.621 0 40 DFAB CCCCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195273 BQFPQQXHSOQUIK-CYBMUJFWSA-N 323.824 2.887 0 40 DFAB C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](Cn2cncn2)O1 161457 NKCVVZUBNFITEG-ZWNOBZJWSA-N 314.172 2.873 0 40 DFAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1cccc(F)c1 176600 SZAKSLWGVIHGGR-NTUHNPAUSA-N 311.268 2.899 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1CCSC1=O 40553186 OIPRUNCDZAUHJP-GFCCVEGCSA-N 322.430 2.887 0 40 DFAB CCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1OC 51188170 CNHSQYLCAKILKW-QFBILLFUSA-N 313.397 2.842 0 40 DFAB CNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 251501 NONJPWADKUJKRW-LFIBNONCSA-N 312.344 2.651 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Cl 411242 MAXWAOSYBMRIOH-UHFFFAOYSA-N 313.748 2.632 0 40 DFAB COc1cccc([C@H](O)[C@H]2OC(=O)c3ccccc32)c1OC 481109 DPHMEZJUJBULLJ-HOCLYGCPSA-N 300.310 2.649 0 40 DFAB CCCS[P@](=O)(OCC)SCc1cc(=O)[nH]c(=O)[nH]1 3045857 FSLAQOJRIPBXOZ-KRWDZBQOSA-N 324.364 2.584 0 40 DFAB S=C(NCc1ccc2c(c1)OCO2)N1CCc2ccccc21 3328133 CANGBIIXHHNWET-UHFFFAOYSA-N 312.394 2.853 0 40 DFAB CS(=O)(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340272 QGHVRIARKCEZEX-UHFFFAOYSA-N 316.334 2.798 0 40 DFAB biogenic Cc1ccc(NC(=O)c2cc(C(=O)O)ccc2C(=O)O)cc1C 4806133 FRKOXAYCFPCIAZ-UHFFFAOYSA-N 313.309 2.952 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 5120604 NASJWAOJTIXADF-UHFFFAOYSA-N 311.790 2.827 0 40 DFAB CC(C)N(C(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 5316108 INBUMWIIYVNSSP-UHFFFAOYSA-N 321.380 2.838 0 40 DFAB CCOC(=O)/C=C(\CC(=O)OCC)Nc1ccc(OC)cc1 5422471 ZKRXWPBXPJTVSN-JLHYYAGUSA-N 307.346 2.507 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@H]2CCOc3ccccc32)c1 7218246 LMHWCKYCDQZDSB-HNNXBMFYSA-N 313.353 2.957 0 40 DFAB Cc1ccc(CNC(=O)CCNC(=O)c2ccccc2C)cc1 7958953 VXWITFRXLCKINP-UHFFFAOYSA-N 310.397 2.740 0 40 DFAB CCOc1ccc(Br)cc1CNC(C)(C)CO 8324477 BCYFJGGCBXTYIF-UHFFFAOYSA-N 302.212 2.708 0 40 DFAB Cc1ccc(CNC(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)cc1 12740815 AZUPQXZIIJERDY-CXAGYDPISA-N 314.385 2.622 0 40 DFAB COc1ccc(CN(C)CCC(=O)Nc2cc(C)on2)cc1F 12886128 OQUTTZAJLAWRAL-UHFFFAOYSA-N 321.352 2.591 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C 12931504 YEHCWEYCWPEAEF-GFCCVEGCSA-N 302.296 2.805 0 40 DFAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC(C)(C)C 12998937 DEQCXFWXTRHAJH-SSDOTTSWSA-N 300.453 2.508 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c(F)c1 13349066 HEFRWXMQRAKHKH-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccccc1 14139143 NVYXCDYVLDZEJL-UHFFFAOYSA-N 324.409 2.873 0 40 DFAB COc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O 14728118 URBNKMKLIWQQRO-ZDUSSCGKSA-N 302.282 2.519 0 40 DFAB biogenic COc1cccc(OS(=O)(=O)c2ccc(C(C)=O)cc2)c1 16093799 AXUGHSQXTKQLJK-UHFFFAOYSA-N 306.339 2.666 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 20143500 ZQWJXSDAZZLXPD-UHFFFAOYSA-N 321.130 2.795 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 20887600 LMVVDHPZFRUDII-STQMWFEESA-N 313.401 2.739 0 40 DFAB CN1c2ccccc2[C@H](N)c2ccc(Cl)cc2S1(=O)=O 21985498 IGSJOGMOHGCKOZ-AWEZNQCLSA-N 308.790 2.527 0 40 DFAB Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3[nH]ncc23)cc1 23135921 GSXSDWKERPODQK-ZDUSSCGKSA-N 324.388 2.996 0 40 DFAB CCOC(=O)c1cc(NC(=O)C=C(C)C)cc(C(=O)OCC)c1 33029072 BPKVZKRFNDOBOE-UHFFFAOYSA-N 319.357 2.945 0 40 DFAB Cc1cc2nc(NCCO)n(CC(=O)c3ccccc3)c2cc1C 35165562 AHGYFAFHRFZVBZ-UHFFFAOYSA-N 323.396 2.940 0 40 DFAB COCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 38756620 ORHJHXOLNXBBHD-UHFFFAOYSA-N 304.434 2.685 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 39130940 FXRGUZMTTRETKY-SNVBAGLBSA-N 318.398 2.775 0 40 DFAB Cc1ccc(C(=O)NCCNC(=O)c2sccc2C)cc1F 40493599 HEGGCDKMUJTEFA-UHFFFAOYSA-N 320.389 2.664 0 40 DFAB CCn1cnnc1CNC(=O)c1cc(F)c(Cl)cc1Cl 40535106 USLBSJIVJVLDAY-UHFFFAOYSA-N 317.151 2.674 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3O2)s1 45676983 JQYFAYBIJYCQHA-ZDUSSCGKSA-N 302.399 2.859 0 40 DFAB NC(=O)CC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 48326869 NODXDJALYFEHSY-UHFFFAOYSA-N 320.458 2.745 0 40 DFAB CCCOc1ccc([C@@H](C)NC(=O)c2cnccn2)cc1OC 48500856 CSXAKZRQFBTUAZ-GFCCVEGCSA-N 315.373 2.765 0 40 DFAB O=Cc1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12 51318955 CUJLTRIMKQNPOZ-UHFFFAOYSA-N 310.328 2.909 0 40 DFAB Cc1nc(-c2cccc(NC(=O)N3CCC[C@H](O)C3)c2)oc1C 56730375 NPRRLDKMUWYJHZ-HNNXBMFYSA-N 315.373 2.947 0 40 DFAB CC1(C)C(=O)N(CCC(=O)Nc2nccs2)c2ccccc21 57355669 ADJHRTICTVZRBL-UHFFFAOYSA-N 315.398 2.796 0 40 DFAB O=C1C[C@H](C(=O)NCc2ccccc2F)C2(CCCCC2)O1 57355702 KHBKKNFEZYICFF-CYBMUJFWSA-N 305.349 2.708 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCO2)CC1 57407054 ASKCZJIZKNAJSP-HNNXBMFYSA-N 323.824 2.669 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2Cl)C1 62912761 NCPUEJZPQSYWSQ-ZDUSSCGKSA-N 302.157 2.930 0 40 DFAB CCN(C(=O)c1ccc(=O)n(CCOC)c1)[C@@H]1CCCC[C@H]1C 66414906 BNMFIURTJCOLGS-GDBMZVCRSA-N 320.433 2.536 0 40 DFAB COc1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c(OC)c1 67999854 JRVNPKJTWCDFRL-GFCCVEGCSA-N 300.358 2.932 0 40 DFAB CCSc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 68753420 MWHSJLTVTMBVKQ-ZIAGYGMSSA-N 305.447 2.550 0 40 DFAB Cc1cccc(OC(F)F)c1NC(=O)NC[C@H]1CCCO1 69333777 VQWZKNRRFZSHLZ-SNVBAGLBSA-N 300.305 2.897 0 40 DFAB CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 69476106 PTJWLTCVOXGCER-GDBMZVCRSA-N 315.417 2.766 0 40 DFAB CN(Cc1nc(C(C)(C)C)no1)C[C@@H]1COc2ccccc2O1 69491772 GVKUIAQOXMLDEQ-GFCCVEGCSA-N 317.389 2.639 0 40 DFAB C[C@@H]1C[C@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)O1 69706434 DMNXRTQQYSFQNK-PSLIRLAXSA-N 304.777 2.883 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 69949816 JGACYBDGYHUZEX-CABCVRRESA-N 319.449 2.947 0 40 DFAB COc1ccc(CN2CCCN(C(=O)c3ccco3)CC2)cc1 71892813 CMNFJUCTQVIITH-UHFFFAOYSA-N 314.385 2.636 0 40 DFAB COC(=O)c1sccc1NC(=O)c1nc(C)ncc1Cl 71916463 AAMYAVNQIWYWOO-UHFFFAOYSA-N 311.750 2.539 0 40 DFAB O=C(NCc1ccncc1)NCc1ccc(Br)cc1 72270026 RZPXTZOKOGKDRH-UHFFFAOYSA-N 320.190 2.844 0 40 DFAB CC(=O)N1CCC[C@H]1c1cccc(-c2cccc(C(N)=O)c2)n1 72355794 GOZMSJCOAHAABV-KRWDZBQOSA-N 309.369 2.531 0 40 DFAB CC(=O)N1CCC(c2nc(C)cc(Oc3cccnc3)n2)CC1 72365772 CNASUQFJOPTORK-UHFFFAOYSA-N 312.373 2.698 0 40 DFAB CC[C@@H]1CN(CCCOc2cccc(C)c2)CCN1C[C@@H](C)O 75132867 JJJBZZHCQCYHHG-QZTJIDSGSA-N 320.477 2.541 0 40 DFAB C[C@](O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2 75155477 OYGGCUGEPGZNSB-HNNXBMFYSA-N 320.370 2.506 0 40 DFAB COc1cc(CNc2cc(C)nc3ncnn23)c2ccccc2n1 78457896 YJOZKOCCZBOZFE-UHFFFAOYSA-N 320.356 2.602 0 40 DFAB C[C@@H](CCCO)NC(=O)Nc1nnc(C2CCCCC2)s1 79072261 XPIZXYLOVVHBJP-JTQLQIEISA-N 312.439 2.868 0 40 DFAB COC(=O)c1ccnc(NC(=O)CCc2cccc(F)c2)c1 79311156 UEYISUZFZRGEJC-UHFFFAOYSA-N 302.305 2.579 0 40 DFAB Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1Cl 86064623 UEDFKICVOJPYGB-LLVKDONJSA-N 307.777 2.816 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)CNC[C@H]2C1 91303100 YTFDIYCLDYXIRQ-YJBOKZPZSA-N 302.418 2.785 0 40 DFAB COc1cc(OC)cc(C2(O)CCN(Cc3ccco3)CC2)c1 92009182 KZEQSVMOLIZJAO-UHFFFAOYSA-N 317.385 2.780 0 40 DFAB CCS(=O)(=O)CCN1CCC(c2ccc(F)c(F)c2)CC1 95398570 KYSCVHSKUHDKNQ-UHFFFAOYSA-N 317.401 2.579 0 40 DFAB Cc1ccc(CNCc2nnc3n2CCC[C@H]3C(F)(F)F)o1 95402048 GIBHOPOVJMDSCQ-LLVKDONJSA-N 314.311 2.909 0 40 DFAB Ic1cccc(CN2CCSCC2)c1 95728216 IRWWSBXYHHHRLU-UHFFFAOYSA-N 319.211 2.840 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H](C(=O)O)C1 95947072 ULNUFFSCYJNOPO-LBPRGKRZSA-N 316.332 2.619 0 40 DFAB COC[C@](C)(NC(=O)c1cnc2ccccn12)c1ccccc1 95966547 JECSYDWIWRRSJA-SFHVURJKSA-N 309.369 2.626 0 40 DFAB C[C@H](NCCOc1cccc2c1OC(C)(C)C2)c1nccn1C 95984973 LKMFSWVESWKZKS-ZDUSSCGKSA-N 315.417 2.863 0 40 DFAB c1csc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)c1 96058629 IGUJMMMZMFMUAQ-CYBMUJFWSA-N 315.442 2.643 0 40 DFAB O=C(CCc1ccccc1F)N1CCC2(CC1)OCCCO2 96120499 YYTKWEIBONUODN-UHFFFAOYSA-N 307.365 2.514 0 40 DFAB COc1ccc(CN2CC3(CCN(Cc4ccncc4)C3)C2)cc1 96202558 QYUOSQGNCYMJAS-UHFFFAOYSA-N 323.440 2.798 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)C(C)(C)c2ccccc2)o1 96444512 LCRCAHLWNXCPQI-SFHVURJKSA-N 301.386 2.890 0 40 DFAB C[C@@H](NCc1nnc(C2CC2)o1)c1ccccc1-n1cccn1 96491709 NZLORPALOKMTKI-GFCCVEGCSA-N 309.373 2.984 0 40 DFAB CN1CCN([C@@H]2CCCCN(Cc3ccc(F)cc3F)C2)CC1 97048483 SCICXWHRRPXDCF-QGZVFWFLSA-N 323.431 2.567 0 40 DFAB O=C(CC1=CCCCC1)N[C@@H]1CCCN(c2cccnc2)C1=O 97086394 ZFDHIKDQJDYZEI-MRXNPFEDSA-N 313.401 2.584 0 40 DFAB Cn1ccc(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)n1 97099206 PUGNTLTYEPYZBA-UHFFFAOYSA-N 316.752 2.903 0 40 DFAB Cc1cnc(COC(=O)c2ccccc2-c2nnc(C)o2)cn1 97236058 QEEBBJFZQQBBGT-UHFFFAOYSA-N 310.313 2.500 0 40 DFAB Cn1cnc(-c2ccc(NC(=O)c3ccc(O)cc3F)cc2)n1 97377454 FHTYRFHLDYWNFD-UHFFFAOYSA-N 312.304 2.579 0 40 DFAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(F)cc1 102179886 RLQKXEZKBFQSRO-SOUVJXGZSA-N 319.376 2.811 0 40 DFAB C[C@@H]1CN([C@H](CNCc2cccnc2)c2cccs2)CCO1 106907891 MIBRZEUKNOLIFG-GDBMZVCRSA-N 317.458 2.695 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H](c1ccccn1)C1CCCC1 108106081 CTEQKIDKPSXOJK-XLNGHYISSA-N 315.417 2.932 0 40 DFAB CC[C@]1(C)CN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CCO1 190383948 GQNZZLIDTYEIQU-SUMWQHHRSA-N 306.406 2.534 0 40 DFAB OCC(CO)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 195553655 ZYJNVJRZHNKOHY-INIZCTEOSA-N 309.768 2.511 0 40 DFAB COc1cccc(N(C)S(=O)(=O)c2cc(C)ccc2OC)c1 222982617 DHUDQITVYBLWAD-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCCCCC2)nc1 223889992 YFHYGFAEQVRVOC-UHFFFAOYSA-N 322.478 2.785 0 40 DFAB Cc1ccc(NC(=O)c2ccc(O[C@@H]3CCOC3)nc2)cc1F 225708883 AQZUOYDGRRPHTE-CQSZACIVSA-N 316.332 2.949 0 40 DFAB COCc1cncc2c1CCN(C(=O)CCc1ccccc1)C2 247896510 VANSTRYUOKWBIO-UHFFFAOYSA-N 310.397 2.746 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 253562392 DFHNUGVBUBEOKJ-HFAKWTLXSA-N 322.355 2.860 0 40 DFAB Cc1ncc(-c2cnc(C[C@@H]3CCCN(C(C)C)C3)cn2)n1C 257219262 DGFAHXIHNXCEAG-HNNXBMFYSA-N 313.449 2.848 0 40 DFAB CC1(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)CCCCC1 257231139 GFKPSNOXMMWHPQ-OAFZBRQQSA-N 322.493 2.745 0 40 DFAB Cc1ccn(CCC(=O)N2CCC(C)(c3nccs3)CC2)n1 257246384 ITXIBOASHROCAX-UHFFFAOYSA-N 318.446 2.618 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 257263541 LQKSAQZIFAHTLL-MRXNPFEDSA-N 310.401 2.815 0 40 DFAB CCN(C(=O)c1ccc2c(c1)CCC(=O)N2C)c1cccnc1C 332641632 VZVWXEADDXDTQJ-UHFFFAOYSA-N 323.396 2.966 0 40 DFAB CC(=O)N1CC[C@H](c2nc(Cc3c(C)cc(C)cc3C)no2)C1 390833452 HPWGRQJUARJLGT-HNNXBMFYSA-N 313.401 2.921 0 40 DFAB Cc1nc(C)n(CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)n1 409412881 YTDLAJBIDDOSTC-OGWHTMIXSA-N 324.428 2.593 0 40 DFAB Cc1nn(C(C)C)cc1C(=O)Nc1cc(C(=O)O)ccc1F 566629433 GKNUHSLCBOJAGL-UHFFFAOYSA-N 305.309 2.862 0 40 DFAB O=C(c1ccsc1)N1CC[C@@](C(=O)O)(c2ccccc2)C1 568517355 JSUAZGVCFMLNIV-INIZCTEOSA-N 301.367 2.617 0 40 DFAB Cn1cccc(C(=O)NCc2ccc(-c3ccsc3)o2)c1=O 575611792 XAAHBFASQGAZDO-UHFFFAOYSA-N 314.366 2.637 0 40 DFAB CCN1C(=O)CC[C@@]12CCCN(Cc1cnc(C)s1)CC2 585099947 ASZDDPNIKLONFF-MRXNPFEDSA-N 307.463 2.819 0 40 DFAB O=C(COCC(F)(F)F)NCc1ncc(-c2ccccc2)o1 60627880 FSVLXCQQSSXKJY-UHFFFAOYSA-N 314.263 2.537 0 40 DFAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OCC(N)=O)cc12 798324 KZGFGIMDRVYLBR-UHFFFAOYSA-N 318.373 2.571 0 40 DFAB Cc1cnc(C(=O)NCc2nc(-c3ccccc3)cs2)cn1 41650572 CFIPZFVPLMRDOC-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB CC(C)c1ccc2c(c1)[C@]1(NC(=O)c3ccccc3N1)C(=O)N2 41863658 NUXWSWGIIMCRKR-SFHVURJKSA-N 307.353 2.770 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 53892365 XRZWFAMCAFGZEM-NSHDSACASA-N 318.760 2.547 0 40 DFAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCc1ccccc1 22836436 UGXODKGWRWCWIS-QGZVFWFLSA-N 322.408 2.937 0 40 DFAB CCn1cc2c(C(F)(F)F)cc(SCC(=O)OC)nc2n1 12398490 RUYXYXHQZOBSBE-UHFFFAOYSA-N 319.308 2.735 0 40 DFAB O=C(Nc1ccc(F)cc1)c1cc(-n2cnnn2)ccc1Cl 12391337 YOORFEOUJAWGCI-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(O)cc2F)cn1 97100609 KQBSRGMASOIGFQ-UHFFFAOYSA-N 312.304 2.673 0 40 DFAB Cc1nscc1C(=O)OCCc1c[nH]nc1C(F)(F)F 97138751 DMACQZISFHJFDA-UHFFFAOYSA-N 305.281 2.593 0 40 DFAB O=C(c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1 8653549 LHJMXYKCYVXKAC-CQSZACIVSA-N 314.728 2.905 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 100255510 ZYFMULYSYGWLGY-ROUUACIJSA-N 315.369 2.950 0 40 DFAB c1coc([C@H](CNc2ncnc3[nH]ncc23)N2CCCCC2)c1 12556508 GEPVESMCLVZOMU-ZDUSSCGKSA-N 312.377 2.585 0 40 DFAB Cc1nc(C)c(CCC(=O)NC2CCCCCCC2)c(=O)[nH]1 9415303 MIWWNWCZTLTTAO-UHFFFAOYSA-N 305.422 2.548 0 40 DFAB COC(=O)[C@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 27561461 WGOQFXDCPDPZLN-CQSZACIVSA-N 300.358 2.869 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)CCc3cscn3)C2)n[nH]1 84110473 GNVIJWVVAMCDCC-GFCCVEGCSA-N 304.419 2.513 0 40 DFAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC3CC3)n2C)cc1 10264198 VLYHFQAAQSQQIU-LLVKDONJSA-N 316.430 2.550 0 40 DFAB C[C@@H](O)[C@@H]1CCCN(c2nnc(Cc3ccccc3)s2)C1 97086022 QCXPLGAYXZYHBD-TZMCWYRMSA-N 303.431 2.726 0 40 DFAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)N[C@H](CO)c1ccccc1 97048202 BDTBFQUWLQJFPV-KZNAEPCWSA-N 310.397 2.823 0 40 DFAB Cc1c(C(=O)NO[C@@H]2CCCCO2)cnn1-c1ccc(F)cc1 58329572 AAYSDPUHUAXSKN-OAHLLOKOSA-N 319.336 2.508 0 40 DFAB Cc1nc(C)c([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1 58416372 JMEBOFLBOSHVTO-JTQLQIEISA-N 307.467 2.719 0 40 DFAB Cc1cccc2nc(C(=O)N3CCC(n4cccc4)CC3)cn12 58413501 VJJLEGNSFSZDBU-UHFFFAOYSA-N 308.385 2.922 0 40 DFAB Cc1ccccc1OCC(=O)N1CCN(C)C[C@H]1c1ccccc1 12796745 QEHICSHQSBVKJU-SFHVURJKSA-N 324.424 2.889 0 40 DFAB CC[C@H](C(=O)c1ccccc1)[P@](=O)(NN)c1ccccc1 2248866 CBFSUFIULJHBQH-VFNWGFHPSA-N 302.314 2.715 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3317712 UYYZNESTQPPQSZ-UHFFFAOYSA-N 318.350 2.867 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118923960 WARJRVLSUJRZKT-MBLYQLFDSA-N 306.446 2.930 0 40 DFAB O=C(CSc1ccncc1)Nc1ccc2c(c1)OCCO2 46346555 IJJVTYNQUPRUGK-UHFFFAOYSA-N 302.355 2.584 0 40 DFAB CC1CCC(CN2CCN(C(=O)CC(F)(F)F)CC2)CC1 92663886 XLAUQUCLEDFCJS-UHFFFAOYSA-N 306.372 2.909 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 70902683 MMZUNOHVVCHZAH-ZNMIVQPWSA-N 322.474 2.770 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c(F)c1 13345966 PXQIOANUAPZUHY-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc2c1C 4085585 SLIVCJIYDODSCI-UHFFFAOYSA-N 315.369 2.630 0 40 DFAB biogenic Cc1n[nH]cc1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1 65458925 HAGZJFXQYUQPOG-GFCCVEGCSA-N 306.360 2.612 0 40 DFAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 65491306 FKXCKSZHQNJNAG-INIZCTEOSA-N 304.434 2.536 0 40 DFAB CCc1ccc(Nc2nnc(SCC(=O)NC)s2)cc1 6354081 NQGIAQKMZMHPMB-UHFFFAOYSA-N 308.432 2.682 0 40 DFAB Cc1csc(CNC(=O)NCCCN2CCCC[C@@H]2C)n1 65553224 NWTXHAYPQXIQBF-ZDUSSCGKSA-N 310.467 2.515 0 40 DFAB COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1O 6435085 TWBBMKZVNYEKTO-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB Cc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(C)c1 5492090 PGZMYFYJZPMWJI-UHFFFAOYSA-N 310.332 2.979 0 40 DFAB Fc1ccc(-c2nnc3n2C[C@H](NCc2ccco2)CC3)cc1 96002612 ZYEHDIGDUYWWLR-CQSZACIVSA-N 312.348 2.782 0 40 DFAB CCc1ccc(OC(=O)Cn2cnc3ccccc3c2=O)cc1 6852239 PMZLMBGOBSPADU-UHFFFAOYSA-N 308.337 2.565 0 40 DFAB C[C@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20634640 KCXFBPJKYGOGIF-JRPNMDOOSA-N 322.355 2.575 0 40 DFAB Cc1nccc(CNC(=O)CCOc2ccc(C(C)C)cc2)n1 67056565 KNDNKKZFTYSUIZ-UHFFFAOYSA-N 313.401 2.994 0 40 DFAB CCOC(=O)c1cnc(SC[C@@H]2CC2(Cl)Cl)nc1N 15355470 WQNQNLMKOGUVKU-LURJTMIESA-N 322.217 2.521 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N(C3CC3)[C@@H](C)C(C)C)c2n1 67687089 DOXJRCIQYCQVNW-ZDUSSCGKSA-N 300.406 2.995 0 40 DFAB Cc1ccsc1CNC(=O)N[C@@H](C)C(=O)Nc1ccccc1 72280840 PWPRHJNTNZHHFZ-LBPRGKRZSA-N 317.414 2.883 0 40 DFAB COc1cccc(OS(=O)(=O)c2ccc(F)c(F)c2)c1 16093795 VBNBHCMANVTMLC-UHFFFAOYSA-N 300.282 2.741 0 40 DFAB CCOc1cc(C(=O)N(C2CC2)C2CCN(CC)CC2)ccn1 96409856 LKEZQOHEVHDJIW-UHFFFAOYSA-N 317.433 2.569 0 40 DFAB Cc1ccc(-n2nc(NC(=O)N3CCOC[C@@H]3C)cc2C)cc1 96493213 KACBGEQWMBCPQI-AWEZNQCLSA-N 314.389 2.742 0 40 DFAB Cc1occc1CNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 96446968 VTCXURFMMWYWFO-HZPDHXFCSA-N 300.358 2.917 0 40 DFAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3Cn3cccn3)cc2c1 70004746 ZKMQCBJMFPRVPY-OAHLLOKOSA-N 308.385 2.978 0 40 DFAB CC(C)c1ccc(CNC(C)(C)C(=O)N2CCC(O)CC2)cc1 70005248 DUBMBERMOUJAFE-UHFFFAOYSA-N 318.461 2.662 0 40 DFAB Cc1cc(C)c(/C=C/C(=O)N2CCC(CC(N)=O)CC2)cc1C 71821018 QQQWOPBGFFMEQS-SNAWJCMRSA-N 314.429 2.739 0 40 DFAB Cc1ccccc1C[S@](=O)[C@@H](C)C(=O)NCc1ccccc1 71858839 RKQSHUBCJIICJK-OYHNWAKOSA-N 315.438 2.949 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)o1 71821111 IZMFNBHICYFFPZ-DERGHVRDSA-N 316.401 2.673 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1cc(F)ccc1Br 71867381 OCYHMWGYMSWBQJ-UHFFFAOYSA-N 311.110 2.529 0 40 DFAB O=C(NCCc1nnc2ccccn12)Nc1ccc(Cl)cc1 8734991 GWMOCZZZSKNMJG-UHFFFAOYSA-N 315.764 2.747 0 40 DFAB CC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 8734890 XWSVIMGXZZUJOP-LLVKDONJSA-N 317.311 2.727 0 40 DFAB CC(C)COC1CCN(CC(=O)Nc2ccccc2F)CC1 97504754 AQGIZQDYNVWEHG-UHFFFAOYSA-N 308.397 2.901 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)NCCc1ccc2ccccc2c1 95411153 XVXKPRNELLOIGP-SFHVURJKSA-N 312.413 2.795 0 40 DFAB O=C(Cc1ccc(O)cc1Cl)N1CCCC[C@@H]1c1ncon1 95978990 SMJKCMBZAOVSCC-CYBMUJFWSA-N 321.764 2.725 0 40 DFAB Cc1nn(CCO)c(NCc2ccc3c(c2)CC(C)(C)O3)c1C 95980670 PGTAPPAYWBCJAL-UHFFFAOYSA-N 315.417 2.818 0 40 DFAB CC(C)(O)[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1 95994316 WJLLLIJTGBCCED-OAHLLOKOSA-N 314.389 2.640 0 40 DFAB CCS[C@H](C)c1noc(CN(C)CCCn2ccnc2)n1 89274819 YBIDHNGMCCVASZ-GFCCVEGCSA-N 309.439 2.602 0 40 DFAB O=C(O)CC1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 89774800 HSUPBIOFVHHSDU-UHFFFAOYSA-N 319.376 2.961 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)NCCc1cccnc1 75582758 HOVOHARDUFWXRA-UHFFFAOYSA-N 313.401 2.867 0 40 DFAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=S)N1 23987977 YDTUTZHDFKVFMF-AWEZNQCLSA-N 304.415 2.823 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccco3)C2)C1 306124202 BJGXWBCQAOCKAN-NOVWEMISSA-N 320.408 2.698 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1ncnc3nc[nH]c13)C2=O 33710288 VYJDLHKJCUOOCT-IYYOCNSZSA-N 302.403 2.839 0 40 DFAB Cc1ccc(C)c([C@@H]2CN(Cc3nnc(C)o3)[C@H](C)CO2)c1 75836798 PJDFZTYDFCFTDU-CJNGLKHVSA-N 301.390 2.957 0 40 DFAB CCCc1cc(Nc2ccc(NC(C)=O)cc2)n2ncnc2n1 35315951 VWHVEVQQHOFPPW-UHFFFAOYSA-N 310.361 2.779 0 40 DFAB N[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218489501 BXWFWHOCVJPUJP-ZNMIVQPWSA-N 307.802 2.607 0 40 DFAB N=c1sc(N2CCCC2)nn1CC(=O)c1ccc(Cl)cc1 33431701 KNEOPNNDRHAXBQ-UHFFFAOYSA-N 322.821 2.561 0 40 DFAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccco4)cn1c23 33088814 FDZJDYXOWQEIPY-LLVKDONJSA-N 308.337 2.642 0 40 DFAB O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccco1 72330081 JXBBPQCTZMHHSN-UHFFFAOYSA-N 311.696 2.545 0 40 DFAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccnc1 226852705 ZLGIZGHGDHMEOC-CYBMUJFWSA-N 308.341 2.673 0 40 DFAB CCc1noc(CN2C[C@H](C)CN(C(C)=O)c3ccccc32)n1 81577552 VICGOKNGRKJHKJ-LBPRGKRZSA-N 314.389 2.641 0 40 DFAB O=C(O)C[C@H](NC(=S)Nc1ccncc1)c1ccc(F)cc1 225217857 WGINKCJKYBBLAG-ZDUSSCGKSA-N 319.361 2.723 0 40 DFAB O=C(O)[C@H]1C[C@H]2c3ccccc3N[C@@H]2[C@@H](c2cccs2)N1 225606339 XMMRDVWAEOSRGS-MMMKDXCPSA-N 300.383 2.814 0 40 DFAB COc1ccc(CC(=O)NCCSC(F)(F)F)cc1OC 48310985 MZMLUUKZVSHRLT-UHFFFAOYSA-N 323.336 2.616 0 40 DFAB CCOc1nnc(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)s1 80903008 KZTTZDMHEKTAAC-NHYWBVRUSA-N 313.467 2.604 0 40 DFAB COc1ccc(N(C)C(=O)c2c(OC)cccc2OC)cc1 222957524 MCYIPCREBWUZHU-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB CC[C@]1(CO)CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 190256123 ZSODLDIKFKQYMR-GOSISDBHSA-N 316.401 2.974 0 40 DFAB O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)C[C@H](c1ccccc1)O2 226761909 NXUZGKKWJNEQJT-LSDHHAIUSA-N 320.348 2.719 0 40 DFAB CC(C)c1ccc(OCCOC[C@@H](O)CNC(C)(C)C)cc1 40373230 PLIXCEHQURJZGT-INIZCTEOSA-N 309.450 2.954 0 40 DFAB CCOC(=O)[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1 193865537 XKZGHXIMUYXQLT-ZDUSSCGKSA-N 307.733 2.967 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCOC[C@H]2CC2CCC2)o1 577556513 YHIHJXWVGWJWDL-CQSZACIVSA-N 321.421 2.543 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cnc(C)s2)C1 194315833 OFZRMOQBAZDTPO-HNNXBMFYSA-N 310.419 2.503 0 40 DFAB COc1cccc([C@@H](N)c2nc(-c3ccccc3OC)n[nH]2)c1 95533573 RNMPSVHPNNBXSJ-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB COCc1nc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cs1 96425690 ITRASXYMWZMSPN-VIFPVBQESA-N 324.377 2.928 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccc(C)cc1 96521384 CKGNWMHTDPLLCM-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 96441197 RUWCUFVTNGRUEU-CQSZACIVSA-N 323.400 2.888 0 40 DFAB CO[C@@](C)(CNC(=O)c1cnoc1C)c1cccc(Cl)c1 96392718 YTSGCXJUKSTMHI-HNNXBMFYSA-N 308.765 2.928 0 40 DFAB CC(C)(C)n1cc(N[C@H]2CCCN(CC(F)(F)F)C2=O)cn1 97377226 LCYAMMWUOHCVFN-NSHDSACASA-N 318.343 2.603 0 40 DFAB CN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 91306139 BDCVGHOGMBCYRZ-UHFFFAOYSA-N 316.401 2.932 0 40 DFAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc[nH]n1 96403535 LWFWYUHZNNITIZ-MRVPVSSYSA-N 314.172 2.800 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)[C@@H]1CCOC1 97095069 ZVPZWWXQJYQPKB-HUUCEWRRSA-N 318.417 2.545 0 40 DFAB CCc1noc(C2CCC(NC[C@H](O)c3ccco3)CC2)n1 96499731 PJADURCWIHHVDL-BPCQOVAHSA-N 305.378 2.574 0 40 DFAB O=C(CC1CC1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96077431 MJQYPOVBCLUBIB-GOSISDBHSA-N 316.376 2.581 0 40 DFAB CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCc2nc(COC)nn2C1 583651481 NMQZJBKNFAXVAS-KFWWJZLASA-N 306.454 2.545 0 40 DFAB CCc1ncc(CN2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cn1 248088272 LVILTHVWZVEEJY-IRXDYDNUSA-N 322.412 2.582 0 40 DFAB COCC[C@@H]1CCOC12CCN(C(=O)c1ccc(C)o1)CC2 247892778 GGBVYJXPOZEROQ-CQSZACIVSA-N 307.390 2.636 0 40 DFAB CC(C)[C@@H]1COC(=O)N1c1ccc(CC2CCNCC2)cn1 257275158 NODCXEYLSZVYNU-HNNXBMFYSA-N 303.406 2.605 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257298416 RLMWBRVHXMUKLG-CYBMUJFWSA-N 321.384 2.599 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)n1 257344142 ZVYALFKBYGMCAU-OAHLLOKOSA-N 323.396 2.900 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2ccnn2C(C)C)nc(C)n1 257240606 HUHGWJVOCUWFCL-INIZCTEOSA-N 314.437 2.941 0 40 DFAB Cc1ccc(CN2CCOC[C@@H](Cc3cnccn3)C2)s1 257334814 YHMHUHRXQFNXDV-AWEZNQCLSA-N 303.431 2.538 0 40 DFAB Cc1ccnc([C@H]2CCN(Cc3nc4ccccc4n3C)C2)n1 257338619 YYEKYBFTMHUHJI-AWEZNQCLSA-N 307.401 2.661 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cccs2)C1 257237229 HFQIORUDQLBHML-GFCCVEGCSA-N 316.430 2.675 0 40 DFAB COc1cccc([C@@H](C)N2CCN(c3nccc(C)n3)CC2)c1 265537697 OHFDAIIFUFPUEA-OAHLLOKOSA-N 312.417 2.677 0 40 DFAB Cc1cc(CCNC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)on1 585089058 IGASFZOYNNOSBM-HNNXBMFYSA-N 303.406 2.912 0 40 DFAB O=C([C@H]1CCCO1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66688170 VODNWEDMOSGXEO-ZIAGYGMSSA-N 313.756 2.558 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)C[C@H](C)n2cccc2)C1 69870773 KUBNMECULCXCML-GOEBONIOSA-N 300.406 2.808 0 40 DFAB COc1ccc(C[C@](C)(O)CNC(=O)NC2CCCCC2)cc1 75155585 YVIGXYPHATZHGF-SFHVURJKSA-N 320.433 2.621 0 40 DFAB CC[C@H](NC(=O)[C@H](C)OC1CCCCCC1)c1nc(C)n[nH]1 89943702 HCGWRJZCFOYETD-FZMZJTMJSA-N 308.426 2.808 0 40 DFAB CCN(C(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1 5326949 NUCYDYZMLXTBEW-UHFFFAOYSA-N 321.384 2.702 0 40 DFAB Nc1ccccc1OS(=O)(=O)c1cccc2cccnc12 11737113 SHQAJEVRIRHLND-UHFFFAOYSA-N 300.339 2.585 0 40 DFAB O=C1N=C(O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]12 12082454 JUKBZYJIJXCWLX-RBSFLKMASA-N 312.300 2.800 0 40 DFAB CC(=O)N1N=C(c2ccc(F)cc2)Sc2c1ncn2C(C)=O 16777250 GNBWZDIZHKOGEY-UHFFFAOYSA-N 318.333 2.503 0 40 DFAB Cc1c(-c2cccs2)nn2c(O)cc(Cn3cccn3)nc12 19557543 SCDNDCULJXOVHN-UHFFFAOYSA-N 311.370 2.717 0 40 DFAB CC(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 19560638 CYKGBODRZYFGNV-UHFFFAOYSA-N 302.403 2.634 0 40 DFAB CSc1ccc2nc(N3CCC(C(N)=O)CC3)sc2c1 1889098441 OZZFIVGYMVWOHC-UHFFFAOYSA-N 307.444 2.720 0 40 DFAB Cc1cccc(CN2CC[C@H](COc3ccc(F)cn3)C2)n1 1889098474 UZVWTPWOFIMUSH-AWEZNQCLSA-N 301.365 2.825 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 9827724 YKQVJMUPBRPULY-UHFFFAOYSA-N 312.344 2.916 0 40 DFAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cccs1 1158258 LYCIENRGSWHSFM-GFCCVEGCSA-N 322.411 2.571 0 40 DFAB O=C(Nc1nc2ccccc2s1)[C@@H]1Cc2ccccc2CN1 8974444 KYSKJTKLMLCJOX-AWEZNQCLSA-N 309.394 2.949 0 40 DFAB Cc1cc(Nc2ccc(Cl)c(C(=O)O)c2)n2ncnc2n1 17146103 OQJYSTMZFCINOD-UHFFFAOYSA-N 303.709 2.528 0 40 DFAB COC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1 40160612 RMTBPAHTHSYWDG-UHFFFAOYSA-N 304.390 2.676 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 31038360 SFRMDPWCWKGYKN-VIFPVBQESA-N 309.774 2.971 0 40 DFAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CCCO1 40505808 SLXSUVBZIXDPGM-ZDUSSCGKSA-N 304.321 2.698 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 21207691 CKBAMEDXQJQZGA-CQSZACIVSA-N 305.378 2.582 0 40 DFAB CC(C)CNC(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 52263247 FTNKZYMBHPTQBZ-UHFFFAOYSA-N 312.435 2.787 0 40 DFAB CC[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(Cl)cc1 21347792 MIQQUVROFFMFAP-CQSZACIVSA-N 304.777 2.769 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843246 XEIXNGGKRGBQGD-TZMCWYRMSA-N 306.381 2.593 0 40 DFAB COc1ccccc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 32978451 JNVNZNOZCZZIFK-UHFFFAOYSA-N 313.353 2.739 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 76046601 BUTLWLXSEMGZKN-JTQLQIEISA-N 321.406 2.584 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1 820998 KDXQSDAPHUEXSJ-UHFFFAOYSA-N 308.341 2.801 0 40 DFAB O=S(=O)(Oc1ccc(-n2ccnc2)cc1)c1ccccc1F 23863248 NUNVWVJXQDBMKY-UHFFFAOYSA-N 318.329 2.779 0 40 DFAB CCn1cc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)c(C)n1 2792312 FNHPJRLTMJUFDJ-CYBMUJFWSA-N 307.419 2.559 0 40 DFAB Cc1nn(C)c2sc(C(=O)NCCN3CCCC[C@@H]3C)cc12 46860192 VBAZXPUADAAJLB-NSHDSACASA-N 320.462 2.547 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)C[C@@H](O)C(C)C)CC1 91952976 TYPMPFVAJIBMDU-GOSISDBHSA-N 319.445 2.910 0 40 DFAB CC1=CC(C)(C)n2c(=O)c3c(c4cc(C)cc1c42)OC(=O)CC3=O 4090329 MSSZXXGWMWWTAS-UHFFFAOYSA-N 323.348 2.954 0 40 DFAB biogenic CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C 4167194 QUAZFBHJEJOYOP-UHFFFAOYSA-N 324.380 2.994 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2snnc2CC)cc1 4941939 CQDNHDHPVULVFB-UHFFFAOYSA-N 305.359 2.530 0 40 DFAB COc1cccc(OC)c1OC[C@H](O)CN(C)C1CCCCC1 6001512 HXXBTMYMILNHMO-OAHLLOKOSA-N 323.433 2.708 0 40 DFAB O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1C[C@H]2CC[C@H]1C2 104149760 QMDNEQZLWJITKQ-JQWIXIFHSA-N 305.765 2.802 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)C1(c2cccc(Cl)c2)CC1 42369082 IXAGJHLTALERQQ-LBPRGKRZSA-N 303.793 2.773 0 40 DFAB O=C(Nc1cccc(Cl)c1)c1cc(F)ccc1-n1cnnn1 12409096 ZSACZSNZFLCBDL-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(N2CCCC2)nc1 47524963 XFXJWUCLMPSQPF-AWEZNQCLSA-N 318.421 2.572 0 40 DFAB Fc1ccc(F)c(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1 37648477 TYUXBJXMUMTBRD-JTQLQIEISA-N 308.294 2.939 0 40 DFAB Cc1cc(C)c(C(=O)O[C@@H]2c3ccccc3OC[C@H]2C)c(=O)[nH]1 97374972 CZQMEKHZJRGZEQ-BZNIZROVSA-N 313.353 2.918 0 40 DFAB Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCS(C)(=O)=O)cc1 72500555 XLLWSGJWOZXNJR-HOTGVXAUSA-N 323.458 2.524 0 40 DFAB COC(=O)c1cccc(CS[C@@H](C)C(=O)NCC(C)C)c1 25689379 KIOOXOQVOXKUEG-LBPRGKRZSA-N 309.431 2.867 0 40 DFAB COc1ccc(C)cc1CCNC(=O)Cc1c(C)noc1C 25762087 JFESKSWOMCNZPO-UHFFFAOYSA-N 302.374 2.510 0 40 DFAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 57177440 BERTVRQUNWVTAU-SFHVURJKSA-N 323.440 2.918 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N(CC)CC)cc2C)C1 57367079 YIGJINASXILEFO-CQSZACIVSA-N 318.417 2.757 0 40 DFAB COC(=O)c1cccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)c1C 102716850 KGDQTOWQXAJGPM-STQMWFEESA-N 302.374 2.901 0 40 DFAB Cc1cc(NC(=O)NCCc2ccn(-c3ccccc3)n2)no1 58245073 YIGGJPLKVBUUPD-UHFFFAOYSA-N 311.345 2.533 0 40 DFAB CC1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 48274577 ICNXDFLMTDKEES-UHFFFAOYSA-N 323.400 2.753 0 40 DFAB CCCN1C(=O)c2cc(O)n(Cc3ccccc3)c(=O)c2[C@@H]1C 104297905 DBDPHZYVAPXUKB-LBPRGKRZSA-N 312.369 2.529 0 40 DFAB COCc1[nH]c2c(-c3ccccc3)c(C)nn2c(=O)c1Cl 101311697 BNWCRZSWZPEFFE-UHFFFAOYSA-N 303.749 2.798 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 58378223 JHEDSZYRMKGAOC-PSKZRQQASA-N 307.463 2.701 0 40 DFAB O=C(CNc1ccccc1Oc1ccccc1)N1CCOCC1 3355679 JWUIVKMXNWTKRS-UHFFFAOYSA-N 312.369 2.750 0 40 DFAB CSc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12814915 XFUFSZFAWZUINJ-UHFFFAOYSA-N 314.366 2.992 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 45690045 JLLFBMIBDFCNLS-LBPRGKRZSA-N 322.372 2.853 0 40 DFAB COc1ccc(OC)c(C(=O)N2CCC(n3cccc3)CC2)c1 60450330 TYSBHFWJBMWMLY-UHFFFAOYSA-N 314.385 2.983 0 40 DFAB Cc1ccc(F)c(NC(=O)CCNC(=O)c2cccs2)c1 12981867 LPFMODCMIKLCMV-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB C/C=C/C=C/C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 69950274 XGRODWFIHHJDQU-VNKDHWASSA-N 303.381 2.648 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2nc3c(F)cccc3[nH]2)c1 69928793 WMXMHGFUSUUPCZ-CYBMUJFWSA-N 313.380 2.872 0 40 DFAB c1ccc(COc2ccc(Oc3ccc4nnnn4n3)cc2)cc1 8981211 SRMRYFVUMSDOHB-UHFFFAOYSA-N 319.324 2.891 0 40 DFAB COC(=O)c1ccc(NC(=O)CN2CCCc3ccccc32)cc1 6552394 CTVBAFUAEPIKBF-UHFFFAOYSA-N 324.380 2.865 0 40 DFAB COc1ccc(C)cc1NC(=O)CCc1c(C)nn(C)c1C 9114079 IKCVYNWZRULDDJ-UHFFFAOYSA-N 301.390 2.925 0 40 DFAB Cc1ccc2c(C)cc(S[C@@H](C)C(=O)NC(N)=O)nc2c1 9117603 DUDJZDYWYDEDIN-JTQLQIEISA-N 303.387 2.527 0 40 DFAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1CCCO1 66445161 ADYRXCCBHKDQPG-UONOGXRCSA-N 301.346 2.532 0 40 DFAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1cnccn1 5895604 ASVARXIOSVNNEI-UHFFFAOYSA-N 319.777 2.675 0 40 DFAB COCCN(C)C(=O)NCc1sc(-c2ccccc2)nc1C 67101363 YNIXCBANHSFYGU-UHFFFAOYSA-N 319.430 2.906 0 40 DFAB Cc1noc([C@H](NC2CCN(c3nccs3)CC2)C(C)C)n1 96004925 RDTRGDHSQXNXKL-CYBMUJFWSA-N 321.450 2.790 0 40 DFAB C[C@H](CCCN(C)C)OC(=O)[C@@H]1CCCN1Cc1ccccc1 96013343 FGMNNUMZCHKYSF-AEFFLSMTSA-N 318.461 2.925 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCOc2ccc(C)cc2C)c1 7436378 QPXUSRXFJXHKPS-UHFFFAOYSA-N 300.358 2.643 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)c1 7610100 CWJQYEQEPHRXIO-CQSZACIVSA-N 312.369 2.884 0 40 DFAB Cc1c(-c2nnnn2-c2ccccc2)cnn1-c1ccccc1 16264916 AVIXSBOYKNFIAF-UHFFFAOYSA-N 302.341 2.823 0 40 DFAB Ic1ccc(OC2CCOCC2)cc1 12370472 PQUFKWFIWPZFBM-UHFFFAOYSA-N 304.127 2.849 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCCCc1ccc(Cl)cc1 69349640 PMQDTEQTCQNBRL-ZDUSSCGKSA-N 320.824 2.857 0 40 DFAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1ccccc1 8392619 REYBGBYLZLRUSZ-ZYHUDNBSSA-N 303.387 2.761 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCO2)cc1OC 71795605 HWUSIZYBAZGGSB-ZFWWWQNUSA-N 305.374 2.546 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 71818780 HKNHTNGTSNMXKC-ZDUSSCGKSA-N 302.378 2.817 0 40 DFAB Cn1c(CN(Cc2cccc(O)c2)CC2CC2)nnc1C1CC1 95396590 MNKKTVPZBSLEDJ-UHFFFAOYSA-N 312.417 2.810 0 40 DFAB CC(C)N(C(=O)[C@@H](C)S(=O)(=O)c1cccc(F)c1)C(C)C 83993334 ABQIOKJXDGFMHJ-GFCCVEGCSA-N 315.410 2.633 0 40 DFAB CCCCS(=O)(=O)N(C)C(=O)Cc1c(C)[nH]c2ccccc12 84746746 QBNRPEQJQJZFTP-UHFFFAOYSA-N 322.430 2.607 0 40 DFAB Cc1cc(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)no1 84116954 FFBAHHBVKQNVMQ-AMIZOPFISA-N 312.728 2.627 0 40 DFAB Fc1ccc(COC2CCN(Cc3csnn3)CC2)cc1 97051458 OHYILRAEXAOORM-UHFFFAOYSA-N 307.394 2.858 0 40 DFAB C[C@H]1C[C@H](Nc2ccn(CCc3ccncc3)n2)[C@H](C)CN1C 97037879 BWHCDUUZWNLVQU-VYDXJSESSA-N 313.449 2.661 0 40 DFAB O=C([C@H]1CCCc2[nH]ncc21)N1CC=C(c2ccc(O)cc2)CC1 95411682 NQFVDOKEDCXGHU-INIZCTEOSA-N 323.396 2.851 0 40 DFAB Cc1cnn(CCC(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1 84265171 MGNPYHJSATWOGJ-HNNXBMFYSA-N 312.417 2.701 0 40 DFAB CCn1cc2ccc(NC(=O)c3cccc(C(=O)NC)c3)cc2n1 95401617 FCOOHYZJYMEXEY-UHFFFAOYSA-N 322.368 2.668 0 40 DFAB OC1(C(F)(F)F)CCC(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 95462770 ATDACXYFSIQLSB-UNOFRPGUSA-N 319.367 2.770 0 40 DFAB C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc2c(c1)OCCO2 95968118 CIOQTQBKEYNBPF-XUSGNXJCSA-N 311.447 2.656 0 40 DFAB CCn1cc([C@H]2OCC[C@@H]2CNCc2scnc2C)cn1 89305985 HWNGIKVKGHVBDM-DOMZBBRYSA-N 306.435 2.535 0 40 DFAB COC[C@H]1CCCN(C(=O)c2ccc(F)cc2OC(F)F)C1 75103956 RFBVZALSHOYXNJ-JTQLQIEISA-N 317.307 2.926 0 40 DFAB O=C(Nc1ccc(Cl)nn1)c1ccn(-c2ccccc2F)n1 75137834 HYBKVYXDKYGRSP-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CN(C(=O)CCCNC(=O)NC1CCCCC1)c1nccs1 68451139 XGDGHNAPQRYXEM-UHFFFAOYSA-N 324.450 2.518 0 40 DFAB CSC[C@H](C)NC(=O)NCCc1nc2ccccc2s1 74866438 NBSJLBXKKTWKMZ-JTQLQIEISA-N 309.460 2.890 0 40 DFAB CC(C)c1cc(CNC(=O)N[C@H]2COc3ccccc32)on1 79349419 VNPODBHQBSWDFY-AWEZNQCLSA-N 301.346 2.731 0 40 DFAB CCN1CCN(c2ccc([C@H](O)c3ccccc3)c(C)n2)CC1 72224676 PEHYJGCEWRHECM-LJQANCHMSA-N 311.429 2.614 0 40 DFAB COCCNC(=O)Nc1nc2ccc3sc(C)nc3c2s1 70655599 UBDJBBURVIFFQT-UHFFFAOYSA-N 322.415 2.982 0 40 DFAB O=C(Cc1ccc2c(c1)CCCO2)N1CCOc2ccccc21 72392161 NRWDWLMVEFFAQU-UHFFFAOYSA-N 309.365 2.980 0 40 DFAB O=C(NCCc1ccccc1)c1cccnc1Br 41107477 IXTLVOKHCUYNEJ-UHFFFAOYSA-N 305.175 2.817 0 40 DFAB CCCc1nnc([C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)o1 49170320 CFABZWLXQFTXDC-ZDUSSCGKSA-N 315.373 2.740 0 40 DFAB biogenic,in-vitro COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCc3cnccc32)c1 191140088 BYRLUKYHPDSZEL-HOCLYGCPSA-N 324.380 2.792 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ncncc1Cl 83003606 HVKQWIHKTJDTMD-NSHDSACASA-N 316.792 2.611 0 40 DFAB CCOC(=O)c1ccc(-n2nnnc2-c2cccs2)cc1 223811857 GZZLEFRJVWBHSI-UHFFFAOYSA-N 300.343 2.568 0 40 DFAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)c2nccs2)c1 190960464 DMXPPXSIECXYSD-AAEUAGOBSA-N 318.398 2.927 0 40 DFAB CC1(C)CC(=O)Nc2ccc(C(=O)NCc3cccnc3)cc21 222282497 OQNCJELWZMWWGG-UHFFFAOYSA-N 309.369 2.631 0 40 DFAB Cc1ccc(C(=O)N2CC3(CCN(Cc4ccsc4)C3)C2)o1 96046497 GKEASKGBJJVHKA-UHFFFAOYSA-N 316.426 2.998 0 40 DFAB C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(CO)c1 96493953 PCIHNQRUNXMFNN-BBRMVZONSA-N 320.433 2.839 0 40 DFAB CCc1cnc([C@H](C)NC(=O)[C@H](O)c2cccc(OC)c2)s1 96487113 WJXRPPFIGASBOG-IINYFYTJSA-N 320.414 2.625 0 40 DFAB CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2cccnc2)c1 96423177 ADBDVQODDRBUSW-CMDGGOBGSA-N 324.384 2.505 0 40 DFAB C[C@@]1(C(=O)NCCc2ccccc2)CC(c2ccccc2)=NO1 96192744 NNGMVJKEIHJAJU-IBGZPJMESA-N 308.381 2.929 0 40 DFAB Cc1nc([C@@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)no1 95958022 GKPLMWGJFDHNEB-INIZCTEOSA-N 317.389 2.739 0 40 DFAB O=C(Cc1cccc(Br)c1)NCCn1cccc1 96449900 BKLUHJJXHFLKAE-UHFFFAOYSA-N 307.191 2.610 0 40 DFAB CS(=O)(=O)Cc1ccc(CNc2ccncc2Cl)cc1 96454000 UNYKYSMQCVFTDG-UHFFFAOYSA-N 310.806 2.892 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)[C@@H]2OCC[C@H]2C)CC1 91954318 PXMOWOHDHSYUSS-CRAIPNDOSA-N 317.429 2.928 0 40 DFAB Cc1ccsc1CNC(=O)N1CC[C@H](Oc2cccnc2)C1 96474791 KOUNVVZBDGLIHZ-AWEZNQCLSA-N 317.414 2.814 0 40 DFAB CO[C@H](CNC(=O)c1cc(C2CC2)on1)c1ccccc1C 96105014 LXCYGEIESOXVPT-MRXNPFEDSA-N 300.358 2.978 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)[C@@H]1CCOC1)[C@H](C)C2 245343843 VZHXKTWKYSMNSV-GKLJAUDBSA-N 302.418 2.953 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257293089 QOBKBJJEMFGZEV-AWEZNQCLSA-N 316.430 2.765 0 40 DFAB C[C@@]1(O)CCN(Cc2cscn2)C[C@H]1Oc1ccccc1 257311948 ULSQXMOAYKYGLW-HZPDHXFCSA-N 304.415 2.547 0 40 DFAB CC(C)c1cc(C(=O)N2CCC(c3cnccn3)CC2)on1 257280542 OLHFBWYNAWHNFC-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB C[C@]1(O)CN(Cc2cncs2)CC[C@@H]1Oc1cccc(F)c1 257219277 DGGRHKXUGPUKLG-HOTGVXAUSA-N 322.405 2.687 0 40 DFAB C[C@]1(c2ccccc2)CCN(C(=O)CC2(C(=O)O)CCC2)C1 450529818 AXPYRPKRLHVSEC-KRWDZBQOSA-N 301.386 2.822 0 40 DFAB Cc1cc(-c2nnn(Cc3nc(C(C)(C)C)no3)n2)ccc1F 65849991 RPHSIUNOTUZWRH-UHFFFAOYSA-N 316.340 2.516 0 40 DFAB COc1cc(CNC[C@H]2CCCN(C)C2)cc(Cl)c1OC 44533183 GQOYIJSQURYOLJ-GFCCVEGCSA-N 312.841 2.789 0 40 DFAB CCOCc1ccccc1NCC(=O)Nc1c(C)nn(C)c1C 86203012 OPXMPPCXUZMILK-UHFFFAOYSA-N 316.405 2.624 0 40 DFAB CCO[C@@H]1C[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 97034662 OEYGDAJVOAEBJB-OWCLPIDISA-N 308.466 2.571 0 40 DFAB Cc1cc([C@@H](C)NCc2cc(=O)n3ccsc3n2)c(C)o1 97112024 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DFAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccoc1 23013711 VPSYZEUZVPLGSU-UHFFFAOYSA-N 320.776 2.712 0 40 DFAB Cn1cc(CN2CCOC[C@@H](Cc3ccccc3Cl)C2)cn1 2037769673 IHPWVDMVEPWDCA-AWEZNQCLSA-N 319.836 2.765 0 40 DFAB Cc1nsc(N2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)n1 2086934279 LYPFINMSTSNBNJ-SNVBAGLBSA-N 324.400 2.835 0 40 DFAB Cn1ncc2c(NCc3ccc(-c4ccoc4)nc3)ncnc21 2087152669 ZNFQSHHZFJDGFW-UHFFFAOYSA-N 306.329 2.630 0 40 DFAB c1ccc2oc(N3CCN(c4ccc(C5CC5)nn4)CC3)nc2c1 1775974763 OSTKXEIAOCMARD-UHFFFAOYSA-N 321.384 2.822 0 40 DFAB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2n1 100936970 PFCRYAHDAKQGJT-SYWGBEHUSA-N 304.349 2.855 0 40 DFAB COc1ncc(NC(=O)c2cccc3ccccc23)c(N(C)C)n1 206729335 RSKCSEUYIVJTDN-UHFFFAOYSA-N 322.368 2.957 0 40 DFAB O=S(=O)(NCc1ccc(-c2cccs2)o1)c1cccnc1 585367525 OOZNUYGIAVOPSP-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB Cc1cc(-c2ccccc2)nn1-c1nc2ccccc2c(=O)n1O 522480 PWUSCNJIHAWKAP-UHFFFAOYSA-N 318.336 2.795 0 40 DFAB C[C@@H](CNC(=O)/C=C/c1cccc2ccccc12)N1CCOCC1 40074467 YRHZTAHABGXTOA-SCOAYWHSSA-N 324.424 2.690 0 40 DFAB O=C(NCCCn1cnc2ccccc21)c1ccnc(Cl)c1 40473911 JZWVSAONVOXIJH-UHFFFAOYSA-N 314.776 2.905 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)c1csc(Br)c1 31401109 AOXIPODHQCVFSG-QMMMGPOBSA-N 314.208 2.526 0 40 DFAB C[C@](O)(CNC[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1 31773321 ALMBTPOPNWVDCP-ROUUACIJSA-N 321.367 2.670 0 40 DFAB CC(=O)N1CCC(NC(=O)Nc2cccc3c2CCCC3)CC1 40526151 WYCYEXBIKRLDBB-UHFFFAOYSA-N 315.417 2.698 0 40 DFAB CCOc1ncccc1CNC(=O)NCCc1cccc(F)c1 32795215 HSVVVXQAEALHGG-UHFFFAOYSA-N 317.364 2.661 0 40 DFAB C[C@@H]1CN(C2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)C[C@@H](C)O1 102611493 ACUAONISRNKJAD-ZBRFXRBCSA-N 304.478 2.772 0 40 DFAB CCOc1cc(CNC(=O)c2cc(=O)c3ccccc3o2)ccn1 60523328 UCVXAOLOQHLXBS-UHFFFAOYSA-N 324.336 2.517 0 40 DFAB COc1cccc(CO[C@H](C)C(=O)NCc2nc(C)cs2)c1 33229842 VENXDFFQVANQAH-GFCCVEGCSA-N 320.414 2.682 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)NCc2sccc2C)c(C)o1 76085971 JYRASBIVXDRLCF-MRXNPFEDSA-N 322.430 2.973 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCCc1nc(C)no1 41619612 IWOVCLMLVLANPB-GFCCVEGCSA-N 317.389 2.895 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1ccnc1 53253880 UBZWCJXZWRRFSH-UHFFFAOYSA-N 312.398 2.745 0 40 DFAB CCOc1ccc(NC(=O)CCc2nnc(SC)o2)cc1 1625300 VFWXRRNAFNNHSF-UHFFFAOYSA-N 307.375 2.762 0 40 DFAB Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)sn1 78995164 DUJCXADFJHEHJB-UHFFFAOYSA-N 301.371 2.831 0 40 DFAB Cc1nnc(-c2ccc(NC(=O)NCc3ccncc3)cc2)o1 78988689 PNHPKTQMLBSOMY-UHFFFAOYSA-N 309.329 2.762 0 40 DFAB COc1ccc(C(=O)CSc2nnnn2C2CCCC2)cc1 4968013 CBRRBXYDYVDHBG-UHFFFAOYSA-N 318.402 2.772 0 40 DFAB CCc1ccc2oc(C(=O)NCc3ccncc3)cc(=O)c2c1 6804462 DGPAZXUSDBZRJM-UHFFFAOYSA-N 308.337 2.680 0 40 DFAB Cn1cnnc1SCC(=O)Nc1cccc(Cl)c1Cl 812783 SWZHVRKRGMBBNE-UHFFFAOYSA-N 317.201 2.853 0 40 DFAB Cc1nc2ccccc2n1CCS(=O)(=O)Oc1ccccc1 23296053 ZLFMOTNTXGRCFF-UHFFFAOYSA-N 316.382 2.754 0 40 DFAB COc1ccc2[nH]c3nc(SCCCN(C)C)nnc3c2c1 3098371 WTLQPYZBPSUNRN-UHFFFAOYSA-N 317.418 2.559 0 40 DFAB Cc1nn(C(=O)CNC(=O)c2ccccc2Cl)c(C)c1C 8023275 YWYLRJRNUAYKSG-UHFFFAOYSA-N 305.765 2.532 0 40 DFAB COc1ccccc1-c1cnn(-c2ccc(C(=O)O)cc2)c1N 8730875 CORDTJALXACKCQ-UHFFFAOYSA-N 309.325 2.828 0 40 DFAB COc1ccccc1CCNC(=O)c1cncn1-c1ccccc1 8778559 SMMCUMDMRGCUMJ-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 97045123 PJEOKFNKOHILKU-LLVKDONJSA-N 311.328 2.611 0 40 DFAB CCCc1nc(NC[C@H]2CCCO2)c2c(n1)c(C)nn2CC 57355848 DEIYROVJIZKNLI-GFCCVEGCSA-N 303.410 2.698 0 40 DFAB C[C@H]1CCCN(C[C@H](C)NC(=O)NCc2ccc(F)cc2)C1 106138003 WOSVKUNZKZQSML-KBPBESRZSA-N 307.413 2.745 0 40 DFAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1NS(C)(=O)=O 43284344 KBPFEPJKDYAZNI-OLZOCXBDSA-N 322.430 2.592 0 40 DFAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc2[nH]nnc2c1 24888708 BWHPCXPNNWFFIJ-UHFFFAOYSA-N 304.313 2.600 0 40 DFAB COc1ccc(NC(=O)Cn2ccnc2C(C)C)c(OC)c1 97236146 VAKJQQSCYRAXBV-UHFFFAOYSA-N 303.362 2.662 0 40 DFAB O=C(CSc1nc(=O)[nH]c2c1CCC2)c1ccc(Cl)cc1 9789429 UPIZRLXQRINXMF-UHFFFAOYSA-N 320.801 2.887 0 40 DFAB C[C@H](OC(=O)c1ccco1)C(=O)N[C@H](C)CCc1ccccc1 23078906 HGBCHGFLQMXRLW-KGLIPLIRSA-N 315.369 2.962 0 40 DFAB C[C@@H](Cn1cccn1)NCc1csc(Br)c1 35259035 YICZJRFXMWAGGB-VIFPVBQESA-N 300.225 2.885 0 40 DFAB O=C(NCc1nnc(-c2cccc(Br)c2)o1)C1CC1 72275066 YTKAOIZQCYLUMT-UHFFFAOYSA-N 322.162 2.525 0 40 DFAB CCOCCCNC(=O)Nc1cc(C)nn1-c1ccccc1 58268276 OIVZIOKNURSFAH-UHFFFAOYSA-N 302.378 2.729 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(N3CCOC3=O)cc2)cc1 58246010 GLKLJMWFCNCUDH-UHFFFAOYSA-N 310.353 2.882 0 40 DFAB COc1cccc(NC(=O)Nc2ccn(Cc3ccncc3)n2)c1 58210958 CVFVOXGRJFNMBX-UHFFFAOYSA-N 323.356 2.979 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3ccc[nH]3)nc12 58325059 OWPVSTAKHUXJPX-MRXNPFEDSA-N 308.385 2.668 0 40 DFAB Cn1cc(C(=O)OCCCc2nc3ccccc3s2)cn1 58312512 BXXRNNOAORCULO-UHFFFAOYSA-N 301.371 2.819 0 40 DFAB Cc1nn(C)c(Oc2ccccc2)c1CNC1CCC(O)CC1 58300172 AATFHHTUVBLAOZ-UHFFFAOYSA-N 315.417 2.914 0 40 DFAB CCOc1ccccc1/C=C/C(=O)N(C)CCCC(=O)OC 58326176 FBCYITOCSMRVMD-VAWYXSNFSA-N 305.374 2.510 0 40 DFAB CC(C)(NCc1cccc(C(N)=O)c1)c1ccc2c(c1)OCO2 58405843 ZZPSJEFZSATCTE-UHFFFAOYSA-N 312.369 2.539 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1 58420183 IBXJEDUFCDUGRX-UHFFFAOYSA-N 319.405 2.925 0 40 DFAB COc1cccc(-c2nn3c(C(C)C)nnc3s2)c1OC 36365258 HHXMCCSMVXTNQU-UHFFFAOYSA-N 304.375 2.993 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 10967354 LYRXXEXOANRMHR-GXTWGEPZSA-N 307.415 2.624 0 40 DFAB CCN(CC)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O 2444834 RFOVQBKMCVNKHF-UHFFFAOYSA-N 318.808 2.873 0 40 DFAB CN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 59272799 LLOHCRQKNZOMDQ-KRWDZBQOSA-N 315.756 2.777 0 40 DFAB Cc1ccc(-c2nc(C(=O)N3CCO[C@@H](C)C3)cs2)cc1 11498134 PKGMUDPHGYHUNP-LBPRGKRZSA-N 302.399 2.979 0 40 DFAB C[C@@H](C(=O)N1CCCC[C@H]1C)N1CCC(N2CCCCC2)CC1 26439448 QYFIXKUOZNBGRG-SJORKVTESA-N 321.509 2.726 0 40 DFAB CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 3340641 LRCANMOXQAACHS-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB O=C(COC(=O)c1ccc(CO)cc1)NC1CCCCCCC1 3419217 XCUPWAJENHOKHY-UHFFFAOYSA-N 319.401 2.565 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 8924790 PLGVBUSZNCSCLJ-ZHACJKMWSA-N 301.367 2.742 0 40 DFAB O=C(OC1CCOCC1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 97162993 UNTLVJMDIFQSHT-UHFFFAOYSA-N 313.357 2.685 0 40 DFAB Cc1ncccc1CN1CCNC(=O)[C@@H]1c1ccccc1Cl 97108649 YWOCQFULCIKQIE-INIZCTEOSA-N 315.804 2.717 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)C1(c2ccc(F)cc2)CCC1 65475833 XAUSIISYDJHQQG-HNNXBMFYSA-N 313.376 2.575 0 40 DFAB COc1cccc(N2CC[C@@H](CNC(=O)NC3CCCC3)C2)c1 65536280 OWLQRAHBSQKNPW-AWEZNQCLSA-N 317.433 2.763 0 40 DFAB O=C(CCCSc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1 14122374 YHFMTENQUJNTMY-UHFFFAOYSA-N 321.377 2.801 0 40 DFAB COC(=O)c1sc2nc(C)nc(NC[C@@H]3CCOC3)c2c1C 65610312 NMLGOCJEHFXELG-JTQLQIEISA-N 321.402 2.543 0 40 DFAB CC(=O)c1cccc(OCC(=O)NCc2ccc(F)cc2)c1 5466462 NJOCBWDOPFUSOY-UHFFFAOYSA-N 301.317 2.724 0 40 DFAB CCOC(=O)c1oc2ccccc2c1CSc1n[nH]c(N)n1 6559759 DYTNLJMULLRARL-UHFFFAOYSA-N 318.358 2.602 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2sccc2c1=O 14302468 SMLUELYNIWOWPB-YPMHNXCESA-N 319.430 2.543 0 40 DFAB NC(=O)c1csc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 95393278 BYPJVFIAFDIKPC-NWDGAFQWSA-N 320.801 2.786 0 40 DFAB CCN(C(=O)CN1CCC(O)CC1)c1cccc2ccccc12 15306860 TZJDRCOMUSYUAG-UHFFFAOYSA-N 312.413 2.649 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(=O)n(C)n1 9364035 WJBCTGMITRJENX-UHFFFAOYSA-N 319.792 2.811 0 40 DFAB Cc1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1C1CC1 7618056 KXMVBRJZXTWWHF-AWEZNQCLSA-N 316.430 2.843 0 40 DFAB C[C@@H](OC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O 16403100 ZHJTVVFDUBGONL-CYBMUJFWSA-N 322.364 2.720 0 40 DFAB CC(=O)N1CCC(NCc2ccc(C)cc2OCC2CC2)CC1 95410427 OERQIALREPNODA-UHFFFAOYSA-N 316.445 2.884 0 40 DFAB O=C(N=c1[nH]c2ccccc2[nH]1)C1(c2ccccc2)CCOCC1 16985195 KZXJUQCGYWRHQB-UHFFFAOYSA-N 321.380 2.672 0 40 DFAB Cc1ccccc1CN(C)C(=O)c1csc(-c2nc[nH]n2)n1 69491406 BLKYLTFYTXOHGI-UHFFFAOYSA-N 313.386 2.509 0 40 DFAB C[C@H](NC(=O)N(C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C 69415062 QYRLEVZPKCXKHF-CABCVRRESA-N 317.433 2.618 0 40 DFAB Cc1c(C(=O)N2CCCC[C@H]2C(N)=O)oc2c(Cl)cccc12 69417347 AEDZPSMBHFQLLE-LBPRGKRZSA-N 320.776 2.875 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)c1cccc(C)c1C 69587746 DZPPCVXSRWQXGU-UHFFFAOYSA-N 312.369 2.924 0 40 DFAB CC[C@H](C)NC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 69582241 GCQMQJDMIBALMK-ZDUSSCGKSA-N 324.469 2.591 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 69581783 CABIMBYSUUWBNW-KBPBESRZSA-N 320.458 2.631 0 40 DFAB CC(C)(NC(=O)[C@H]1C[C@@H]1c1cccnc1)C(=O)Nc1ccccc1 71888197 YDSZOHPOLWXHCN-CVEARBPZSA-N 323.396 2.719 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 69919101 YVPCHSPHMOWTHB-QGZVFWFLSA-N 323.396 2.831 0 40 DFAB COc1ccc2nc(SCc3ccc(C(N)=O)cc3)[nH]c2c1 8775420 QUWJZJDFKKNXCA-UHFFFAOYSA-N 313.382 2.963 0 40 DFAB CN(C(=O)NCC[S@](=O)c1ccccc1)C1CCCCC1 71913606 UCLVITQJORBZBA-OAQYLSRUSA-N 308.447 2.768 0 40 DFAB Cc1csc(CCCCNC(=O)c2cccc(C(=O)O)c2)n1 95445258 GAJOIIPCWOXQIM-UHFFFAOYSA-N 318.398 2.902 0 40 DFAB CSC[C@@H](C)C(=O)NC[C@H]1COC2(CCCCCC2)O1 95464452 DYDQZWWDBDSPHK-OLZOCXBDSA-N 301.452 2.568 0 40 DFAB CN1CCC(N2CCC(Nc3ncccc3Cl)CC2)CC1 95964909 OOHFCXFYKBATTI-UHFFFAOYSA-N 308.857 2.706 0 40 DFAB Nc1ccnc(CNC2(c3ccc(F)cc3F)CCCC2)n1 95985853 QOOILAGFQKRKSN-UHFFFAOYSA-N 304.344 2.896 0 40 DFAB CC(C)[C@H]1CCC[C@H](NS(=O)(=O)CC2CCOCC2)C1 95961846 QLBVWOLDSSNYHU-GJZGRUSLSA-N 303.468 2.547 0 40 DFAB CCS[C@H]1CC[C@H](N(C)C(=O)NCC(C)(C)N(C)C)C1 89274884 VEHWCEFWAZZOTJ-STQMWFEESA-N 301.500 2.642 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(Cl)nc1Cl 75137303 GNYWOAILIZAVSX-ZETCQYMHSA-N 313.188 2.921 0 40 DFAB O=Cc1cn(CN2C(=O)c3ccccc3C2=O)c2ccccc12 408599940 PBISKKSWFMOGMJ-UHFFFAOYSA-N 304.305 2.708 0 40 DFAB COCc1cc(CC2(NCc3ccccc3Cl)COC2)no1 67897954 BKMVFCRKCQARJV-UHFFFAOYSA-N 322.792 2.576 0 40 DFAB biogenic,in-vitro COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C)s2)C1 38666532 WOYQHKSWHOHAJU-LBPRGKRZSA-N 317.414 2.875 0 40 DFAB C[C@]12CCCC[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CC(=O)C[C@@H]12 123369592 LJDAXOXADPJFIM-RTYZRGRQSA-N 306.446 2.930 0 40 DFAB CNC(=O)c1ccc(CN(C[C@H]2CCCO2)C2CCCC2)cc1 75831615 WYIORYDHTLCIDV-GOSISDBHSA-N 316.445 2.970 0 40 DFAB Cc1ccccc1CS(=O)(=O)NCCc1ccc(F)cc1 74923677 LCDIKMHUMJGDHL-UHFFFAOYSA-N 307.390 2.796 0 40 DFAB CCCCCCNC(=O)CCc1nc(-c2cccnc2)no1 32824514 SFPSDDMYOQQOLL-UHFFFAOYSA-N 302.378 2.761 0 40 DFAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C(=O)O 565032355 YTYTVFAWPRULOB-UHFFFAOYSA-N 303.280 2.775 0 40 DFAB Cc1nnc(O)c(C(=O)NCc2oc3ccccc3c2C)c1C 79357999 SCKCAPZNGCYBCQ-UHFFFAOYSA-N 311.341 2.784 0 40 DFAB O=C(NCCn1ccnc1C1CC1)c1c(F)cccc1Cl 225566045 WYBWXMFHCVWQOC-UHFFFAOYSA-N 307.756 2.983 0 40 DFAB COC(=O)CN(Cc1ccc(C)c(Cl)c1)C1CCOCC1 225580683 XKLIUOQQFZLTNV-UHFFFAOYSA-N 311.809 2.802 0 40 DFAB CCn1nccc1NC(=O)N1CCC(Cc2cccnc2)CC1 329215677 NCGFBYBJPANUNZ-UHFFFAOYSA-N 313.405 2.785 0 40 DFAB COC(=O)C1CCC(Nc2c[nH]nc2-c2ccccn2)CC1 190476385 MEUAXGWYCUQTQY-UHFFFAOYSA-N 300.362 2.615 0 40 DFAB C[C@H]1CCCN(c2nc(NCCCO)c3ccccc3n2)C1 41150327 ZADGPLDTNRMTFL-ZDUSSCGKSA-N 300.406 2.660 0 40 DFAB CC(=O)NC(=O)c1ccc(-c2ccccc2Br)o1 85346735 RFZIPDGJBKUYLJ-UHFFFAOYSA-N 308.131 2.985 0 40 DFAB C[C@H](NC(=O)Cn1cc(-n2cccc2)cn1)c1cccs1 81080956 YVXJHBVEWMWABZ-LBPRGKRZSA-N 300.387 2.613 0 40 DFAB C[C@H](c1ccco1)N(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1 576820711 WSAUJAJIPJFXNS-LLVKDONJSA-N 323.370 2.501 0 40 DFAB c1csc(CN2C[C@@H]3OCCN(CC4CCCC4)[C@@H]3C2)c1 96248702 PAVBHSDLKDGLND-SJORKVTESA-N 306.475 2.823 0 40 DFAB CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(F)cc1F 96482919 ZYOBVALCOKUPLR-UHFFFAOYSA-N 319.355 2.737 0 40 DFAB O=C(NC1CC1)c1cc2c(s1)CCN2C(=O)c1ccccc1 96264536 ZBDQULOTMUXUQO-UHFFFAOYSA-N 312.394 2.843 0 40 DFAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccccc1)COC3 96112421 BKRTYNFQRNMURR-HNNXBMFYSA-N 321.380 2.846 0 40 DFAB biogenic,in-vitro COC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CO1 96105755 XFSULWRNZQVWQY-QGZVFWFLSA-N 305.418 2.713 0 40 DFAB Fc1ccccc1OCCN1CCC(OC2CCOCC2)CC1 96417432 CTWALENZYAMITG-UHFFFAOYSA-N 323.408 2.865 0 40 DFAB c1ccc(O[C@@H]2CCN(Cc3cccs3)[C@H]3CCO[C@@H]32)nc1 96217755 HLJXZXWSAXVJOF-UXLLHSPISA-N 316.426 2.954 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CCC[C@H]2c2cnccn2)n1 257337403 YSQGQMWTTWEPHS-ZDUSSCGKSA-N 319.796 2.714 0 40 DFAB CS(=O)(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257232289 GKFDWIKROFYFDA-AWEZNQCLSA-N 324.377 2.501 0 40 DFAB Cc1[nH]nc2c1N=c1c(-c3ccccc3Cl)cnc(C)c1=CN2 265540584 HPAWTBZROJHZAQ-UHFFFAOYSA-N 323.787 2.857 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 90611983 LGRALTCDMJMTDS-INIZCTEOSA-N 317.364 2.747 0 40 DFAB Cc1ccc(C(=O)NCCn2cc(Br)cn2)cc1C 28245575 OWFMVSWWNWSLFE-UHFFFAOYSA-N 322.206 2.692 0 40 DFAB CC(C)(C)NC(=O)c1cc(F)ccc1I 65588805 WITREIVAXJIKBU-UHFFFAOYSA-N 321.133 2.959 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccccc1Cl 29260417 XHFRNTVJEKDHJO-UHFFFAOYSA-N 316.788 2.640 0 40 DFAB COCc1ccccc1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 68478975 NSFIJTTYSKOKTP-CYBMUJFWSA-N 306.406 2.542 0 40 DFAB Cc1nc(C)c(C(=O)O[C@@H](CN2CCCC2)C(F)(F)F)s1 69946624 VFLWWCGQOGKVQY-JTQLQIEISA-N 322.352 2.943 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)C1(c2ccc(F)cc2)CC1 71900298 UIBKHVANGSCOKP-NRFANRHFSA-N 311.422 2.521 0 40 DFAB O=C(CCc1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 56951959 GZOVNPQQDPHHFI-CQSZACIVSA-N 305.403 2.695 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1c[nH]c(=S)n1-c1ccccc1 60332948 GWHLHNXMUDAKHM-ZDUSSCGKSA-N 319.386 2.723 0 40 DFAB O=C(Nc1nccs1)c1ccc(NC(=O)c2cocn2)cc1 97001400 ALFJWRAQKOTMPQ-UHFFFAOYSA-N 314.326 2.636 0 40 DFAB CSc1cncc(N2CC[C@H](CNc3cccc(C)n3)C2)n1 97162945 UJPVIIVNKLREKB-CYBMUJFWSA-N 315.446 2.840 0 40 DFAB COC(CN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)OC 249329648 HLGHUWLTMCHVPI-ROUUACIJSA-N 318.461 2.592 0 40 DFAB c1ccc2cc(CN3CCN(c4ccncn4)CC3)ccc2c1 1203999609 LWXWKPAZKMJLBV-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 12379208 OHDHLNWMAPCUNW-OGRXGRENSA-N 309.365 2.953 0 40 DFAB C[C@@H](NC(=O)Nc1c[nH]c2ccccc2c1=O)c1ccncc1 13565870 IXNJIEYMWRAEKN-LLVKDONJSA-N 308.341 2.806 0 40 DFAB Oc1cc(CSc2ncccn2)nn1-c1nc2ccccc2[nH]1 14607924 SWDNDDCSYMQUSI-UHFFFAOYSA-N 324.369 2.537 0 40 DFAB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\NC(=O)N=C2O)o1 15012719 TURBDDXSHZASGX-GHXNOFRVSA-N 312.281 2.974 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1 17862494 GVNVVFFPEYLLHO-TXEJJXNPSA-N 323.462 2.604 0 40 DFAB CCN(C)[C@H]1CN(C(=O)c2cccnc2)C2(CCCCC2)C1 19704921 PVUVUPUIFLUTIQ-MRXNPFEDSA-N 301.434 2.951 0 40 DFAB COc1cccc(-c2cc3nc(SC)n(N)c(=O)c3s2)c1 19797172 RREWCPPDEZKESM-UHFFFAOYSA-N 319.411 2.569 0 40 DFAB CC(C)Oc1ccc(C(=O)NCCc2cncn2C)c(Cl)c1 520524278 QEEGJEARBBHTJW-UHFFFAOYSA-N 321.808 2.833 0 40 DFAB c1ccc(CN2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 19372009 YTMIZHUBHPOWNY-HNNXBMFYSA-N 307.357 2.864 0 40 DFAB Cc1nnc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)c2ccccc12 1888866432 FHBBUJVWQUCZGC-CYBMUJFWSA-N 312.417 2.679 0 40 DFAB Cc1cc(C)nc(N2CC[C@H](COc3ccc(F)cn3)C2)n1 1889091908 MTYBMRGMZBGSFN-ZDUSSCGKSA-N 302.353 2.533 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)n1 175485870 CWRLERINLHSAIT-LLVKDONJSA-N 319.386 2.705 0 40 DFAB CCc1nccn1CC1CN(C(=O)c2cc3ccccc3[nH]2)C1 1849658588 LBXKSLJCBPFFNV-UHFFFAOYSA-N 308.385 2.699 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(C(C)(C)C)nn2)C1 2298174712 GWPXBXSHUTUJAS-ZDUSSCGKSA-N 318.465 2.905 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H]3CCC[C@@H]31)C2 102712084 GSDLRJJZGHDGLC-IWCQGFGOSA-N 305.466 2.976 0 40 DFAB CCc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 20082502 APGVFQXLNBWCRW-GOSISDBHSA-N 322.408 2.713 0 40 DFAB O=c1c2sccc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2 100021148 RGXMQZXCZQLBNV-UHFFFAOYSA-N 318.379 2.898 0 40 DFAB CCc1ccc(N2CN(CCN(CC)CC)CNC2=S)cc1 20171586 QMCHAEDMWGENCM-UHFFFAOYSA-N 320.506 2.502 0 40 DFAB CC[C@@H](C(=O)N1CCC(C(=O)N(C)C)CC1)c1ccccc1 40489196 BKQIYVGGTZBLGV-MRXNPFEDSA-N 302.418 2.507 0 40 DFAB CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 40554137 MLQLYKXWRQSDAA-RDJZCZTQSA-N 314.429 2.829 0 40 DFAB COC(=O)c1ccccc1SCC(=O)Nc1cc(C)on1 480542 RWGBGKCSODPIII-UHFFFAOYSA-N 306.343 2.500 0 40 DFAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(F)ccc1F 60752730 AIYWRSIIILPWIA-UHFFFAOYSA-N 317.291 2.711 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 928580 KNJWPSCZWHBSTJ-UHFFFAOYSA-N 308.341 2.853 0 40 DFAB Cc1cc2sc3nc(=O)n(-c4ccccc4)c(=O)n3c2cc1C 521855 HKVVFSUKMHHROE-UHFFFAOYSA-N 323.377 2.677 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1F 1343158 VQWWRXUCCFBDGG-AWEZNQCLSA-N 307.369 2.594 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)NC[C@H]2CCCN(C)C2)cc1 76996633 FGYRWSIVXZXOSE-UONOGXRCSA-N 322.474 2.634 0 40 DFAB O=C(Nc1ccc(-n2nccn2)cc1)c1ccc(O)c(Cl)c1 53111071 SIXOAPBKEHRPSC-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB O=C(Nc1cccc(-n2cccn2)c1)N[C@@H]1CCCC[C@@H]1CO 78993310 OARSBKUZRXUKOS-CZUORRHYSA-N 314.389 2.545 0 40 DFAB Cc1ccc(NC(=O)N(CCCO)Cc2ccncc2)s1 79053255 MIVLLFJXLQZDSW-UHFFFAOYSA-N 305.403 2.868 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1 46988210 KGZROXWOVGKXGX-INIZCTEOSA-N 316.380 2.648 0 40 DFAB O=C(CCc1cccnc1)NCCCc1nc2ccccc2[nH]1 22490302 FGRGXUTWNJLILU-UHFFFAOYSA-N 308.385 2.640 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc(Br)c1 4258625 UCSQPCJPUUPAPF-KGOITJQVSA-N 318.170 2.761 0 40 DFAB CCOC(=O)c1cc2c(=O)n(Cc3ccccc3)ccc2nc1C 22607645 GMUQSMGEKCKZJK-UHFFFAOYSA-N 322.364 2.930 0 40 DFAB c1ccc(COc2ccc(CN3CCn4ccnc4C3)cc2)nc1 97201260 VYOBKCRLHJWRED-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB CCCNS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6681692 LWBMSEVOBLPLEG-UHFFFAOYSA-N 324.427 2.689 0 40 DFAB CCCCNC(=O)COc1ccc(N(C)C(=O)NC(C)C)cc1 54246713 KQWQYBKBYWWPFN-UHFFFAOYSA-N 321.421 2.536 0 40 DFAB COC(=O)[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1C 42646948 XTWOVTJKEGVHJG-ZDUSSCGKSA-N 301.342 2.909 0 40 DFAB O=C(Cn1nnc2ccccc2c1=O)c1cccc2ccccc12 8040500 JBWOUQVXWCLBCH-UHFFFAOYSA-N 315.332 2.828 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)C[C@H](C)O1 47705769 VOTWHZFOKCJQEN-RYUDHWBXSA-N 305.422 2.765 0 40 DFAB Cc1cc(C)cc(NC(=O)c2snc3c(O)ncnc23)c1 8670666 OQPBPGDOERBZLA-UHFFFAOYSA-N 300.343 2.661 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)no1 43165273 JQJYRFPIBXBMCI-AWEZNQCLSA-N 301.346 2.648 0 40 DFAB O=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1 1273782 FQAPIEYRVFKFPV-UHFFFAOYSA-N 322.434 2.583 0 40 DFAB COC(=O)CCNC(=O)Cc1coc2ccc3ccccc3c12 24854987 WQXBIQOPJCDAHP-UHFFFAOYSA-N 311.337 2.808 0 40 DFAB O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCOCC1 1384047 TYCUYSOBHUQMPY-UHFFFAOYSA-N 322.817 2.860 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(Cl)o3)cc12 25018075 GWPJHVKJGNMWEI-UHFFFAOYSA-N 319.704 2.848 0 40 DFAB O=C(Cc1ccc(F)cc1)NCCCn1ncc2ccccc21 72239486 JMCWMFCLUQRDJX-UHFFFAOYSA-N 311.360 2.924 0 40 DFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 72270626 SYMJFFZLYFVGHW-YJBOKZPZSA-N 324.428 2.609 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2sc(C)nc2C)no1 56214812 JJBOBLXFWIHRLQ-SCZZXKLOSA-N 308.407 2.734 0 40 DFAB Cc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)on1 26383803 SOQZXHUPHQVUFO-INIZCTEOSA-N 316.357 2.881 0 40 DFAB C[C@]12CCN(CCO)[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 106588216 BSIXKFWZOQKKGU-NOLQTVRTSA-N 307.478 2.657 0 40 DFAB COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 3218599 RJHSVJAESYTWBM-NSHDSACASA-N 302.157 2.771 0 40 DFAB COc1cc2c(cc1OC)CN(Cc1nc(C3CC3)no1)CC2 44711380 WFZQVQQPFROTAP-UHFFFAOYSA-N 315.373 2.523 0 40 DFAB Cc1ccc(-c2nnc(SC[C@H]3CCOCO3)n2C)cc1 10264145 DVPXXXOWQGXGNF-CYBMUJFWSA-N 305.403 2.646 0 40 DFAB CCN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CC(O)=NC1=O 58215013 BMDKHHQSHPALDC-SNVBAGLBSA-N 315.156 2.711 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc2c1CCCC2 44974081 XFZXTHACNDAEQZ-GFCCVEGCSA-N 312.369 2.915 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 36379733 HXFOWFRUWADNAQ-UHFFFAOYSA-N 321.373 2.920 0 40 DFAB in-vitro Cc1ccc(/C=C/S(=O)(=O)N(CCO)c2ccccc2)cc1 48331781 WKQKCPXCVSXCLQ-SDNWHVSQSA-N 317.410 2.794 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1cc(F)ccc1F 3400569 ISNBQFVIRRXMNN-UHFFFAOYSA-N 320.324 2.738 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 13166912 KDEQKYGAHXDSQZ-SNVBAGLBSA-N 303.289 2.930 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)C(C)(C)c1cccs1)C2 72285422 SIHZPTRDPAOIPB-LBPRGKRZSA-N 303.431 2.662 0 40 DFAB CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C 6374474 ZDJQYDHNXYVIBI-UHFFFAOYSA-N 320.414 2.951 0 40 DFAB COc1cccc(CNc2ccc3nnc(C(F)(F)F)n3n2)c1 14163851 ZJBAHYBIDNGTGJ-UHFFFAOYSA-N 323.278 2.764 0 40 DFAB CCN(C(=O)c1ccc(OCc2noc(C)n2)cc1)C1CC1 65626014 HHLOLRKUTXFUGE-UHFFFAOYSA-N 301.346 2.582 0 40 DFAB COc1ccccc1OCCNC(=O)c1cccnc1SC 14227434 JIQGJNCYGUNZSQ-UHFFFAOYSA-N 318.398 2.621 0 40 DFAB CC(=O)[C@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1Cl 6508802 SOBLZVQJDVDPGN-NSHDSACASA-N 306.749 2.968 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1 42645693 YKECEIXYJDVMIQ-UHFFFAOYSA-N 312.369 2.729 0 40 DFAB COc1ccnc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 72298666 YAWMRWSXCNDQJO-LBPRGKRZSA-N 317.414 2.875 0 40 DFAB C[C@H]1CN(C(=O)c2cc(Br)cs2)C[C@H](C)O1 6824603 APMMIUYWBDETNE-YUMQZZPRSA-N 304.209 2.760 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1 4967732 GZOSAZLBGJAFTL-HNNXBMFYSA-N 316.449 2.759 0 40 DFAB CO[C@@H](C(=O)NCc1ccccc1-n1cccn1)c1ccccc1 67342218 HABDGHADUJOZQT-GOSISDBHSA-N 321.380 2.876 0 40 DFAB Cc1ccc(CC(=O)N(C)[C@@H](CCO)c2ccccc2)cc1O 96003118 YILLZJXUUHNGBW-KRWDZBQOSA-N 313.397 2.825 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 7218244 LMHWCKYCDQZDSB-OAHLLOKOSA-N 313.353 2.957 0 40 DFAB C[C@H](NC(=O)/C=C/c1ccc(O)cc1)[C@H](O)Cc1ccccc1 96004361 WILNOXUPIZQJKD-FSDXHPQJSA-N 311.381 2.514 0 40 DFAB CCN1CCc2nc(NC(=O)c3ccc(OC)cc3)sc2C1 15880160 CVZUEWGJMQVXBP-UHFFFAOYSA-N 317.414 2.782 0 40 DFAB Cc1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)n1C1CC1 7618057 KXMVBRJZXTWWHF-CQSZACIVSA-N 316.430 2.843 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1C 19736297 IIANAKLRAAAHRK-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB Cc1cc(NC(=O)[C@]2(C)Cc3cc(Cl)ccc3C(=O)O2)no1 9488595 BYAOTKFEROSGAF-HNNXBMFYSA-N 320.732 2.747 0 40 DFAB Cc1ccc(NC(=O)N2CCC(C3OCCO3)CC2)c(F)c1 71862796 OCDDCDQTNSFGJC-UHFFFAOYSA-N 308.353 2.751 0 40 DFAB CCc1n[nH]c(S[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 71916022 BROFEMYRIIXLSK-NSHDSACASA-N 322.821 2.918 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cs1 72233999 UACHVWOIGYKSRX-AWEZNQCLSA-N 318.446 2.708 0 40 DFAB COc1cccc(CN2CCC(O)(C(F)(F)F)CC2)c1OC 97162241 VIKPKXZXPXYMAW-UHFFFAOYSA-N 319.323 2.593 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)CCc1ccsc1 97143868 MGURDXAYQFCPEI-HNNXBMFYSA-N 304.415 2.619 0 40 DFAB CC(=O)N(C)c1cccc(NC(=O)NC2Cc3ccccc3C2)c1 97140930 YTNTWWZWVVZKJD-UHFFFAOYSA-N 323.396 2.958 0 40 DFAB O=C(NCc1csc(CCc2ccccc2)n1)c1ccon1 95409237 ZNOYUGFTVHSZEH-UHFFFAOYSA-N 313.382 2.846 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nccn2C)c(Br)c1 95974088 YLCFAJPUIAEAHK-UHFFFAOYSA-N 322.206 2.763 0 40 DFAB COc1cc(NCC2CCOCC2)ncc1Br 95977597 CMLDNFLVSLEFAW-UHFFFAOYSA-N 301.184 2.691 0 40 DFAB C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C[C@H]1O 89401744 PQKFGOHKUUQKOX-QMTHXVAHSA-N 319.792 2.573 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)C1CC1 89885471 ASCVTFNGMOIVIL-JTQLQIEISA-N 322.411 2.855 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)Cc1noc2ccccc12 89894712 AHNDKYPLYZEEMZ-LLVKDONJSA-N 312.325 2.741 0 40 DFAB O=C(OCc1ccccc1)N1CCC[C@H](CSCCO)C1 79392204 LPLYZJFDFSHWQZ-HNNXBMFYSA-N 309.431 2.761 0 40 DFAB COc1ccc(OC)c(C(=O)c2ccccc2OC(C)=O)c1 43209815 DYFHMWGOGLVKJW-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB Cc1noc(C)c1CN1CCOC[C@@H]1CC(=O)c1cccs1 189209235 SLOXQWWUXAHNQC-ZDUSSCGKSA-N 320.414 2.827 0 40 DFAB Cc1cc(C)cc(OCCC(=O)NCCc2cscn2)c1 78913037 IZXDYDOXFCNRKB-UHFFFAOYSA-N 304.415 2.888 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccsc2)cc1 129738749 NAEPPCZWJYIAHF-GFCCVEGCSA-N 323.439 2.649 0 40 DFAB O=S(=O)(CC1CCNCC1)c1ccc(Cl)cc1Cl 79440663 JVWCMLNNSHRUTP-UHFFFAOYSA-N 308.230 2.767 0 40 DFAB COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c(O)n[nH]c1C 79489812 IQMHFQNPMQRUNH-MRVPVSSYSA-N 312.728 2.911 0 40 DFAB Cc1c(-c2ccc(Cl)cc2)nnn1C[C@@H]1CCNC(=O)CC1 568610079 QZOQFWYCNBLCQI-LBPRGKRZSA-N 318.808 2.823 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)CCC(=O)N2C)cc1 72238282 FIJUEURURYVCKF-DOTOQJQBSA-N 300.402 2.527 0 40 DFAB O=C(c1ncccc1O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 130623518 PHMQGFJAUCVBOZ-DGCLKSJQSA-N 318.398 2.577 0 40 DFAB CCOC(=O)c1ccc(Br)c(Br)n1 47202760 YACWTWOCKWHFSC-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB COc1ccc(SCC(=O)Nc2cccnc2)cc1OC 44948341 ZLTRSVLDYPHTMT-UHFFFAOYSA-N 304.371 2.830 0 40 DFAB COc1ccc(OC)c(-c2c(C)n(O)c3c([n+]2=O)CCCC3)c1 136087944 WGCQJIIHUWGTRK-UHFFFAOYSA-N 317.365 2.511 0 40 DFAB COc1cc(C)nc(NC(=S)NCc2ccc(C)cc2)n1 225944622 FJIRITWZWMZGEC-UHFFFAOYSA-N 302.403 2.589 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 225712752 SPQAOOUJELOKGO-WAYYCVMKSA-N 307.296 2.816 0 40 DFAB CN(C(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCOC1 225454724 BPBJHVPBUIZXQB-GFCCVEGCSA-N 311.341 2.684 0 40 DFAB C[C@@]1(C(=O)NCc2cccc(C(=O)O)c2)CC1(Cl)Cl 195541954 WTEWKHUPFOKPJH-LBPRGKRZSA-N 302.157 2.585 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)Cn1cccn1 194917914 PBMLSZBENDNSFJ-UHOFOFEASA-N 316.380 2.514 0 40 DFAB Cc1ccc(NC(=O)NC[C@H]2CCOC2)cc1OCC(F)F 96403322 INCDJUDCQORDSR-LLVKDONJSA-N 314.332 2.797 0 40 DFAB CC[C@@](C)(NCc1nnnn1-c1ccccc1)c1nccs1 96443432 WRLHMQVKUKXKEB-OAHLLOKOSA-N 314.418 2.534 0 40 DFAB Cc1cncc(C(=O)Oc2ccc(OCc3cnn(C)c3)cc2)c1 95405089 AWEHPLQVRURIHT-UHFFFAOYSA-N 323.352 2.922 0 40 DFAB CN(C)c1cccc(CNC(=O)c2cc(F)c(F)c(O)c2F)c1 97374734 SVLRIQOYIVNUGF-UHFFFAOYSA-N 324.302 2.806 0 40 DFAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C=C(C)C 96441187 QNYXURGIYKOBOO-UHFFFAOYSA-N 317.433 2.742 0 40 DFAB Cn1nc(-c2ccsc2)cc1NC(=O)[C@]1(C)CCCOC1 330261102 TZWMGXYIZKVALL-OAHLLOKOSA-N 305.403 2.904 0 40 DFAB COc1cc(C)cc(-c2cc(N)nc(N3CCCC3)n2)c1OC 97815460 IAGIRXHOOGGWCJ-UHFFFAOYSA-N 314.389 2.652 0 40 DFAB C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H]1c1cccc(F)c1 96445567 MBFFZAUVBHQMTD-BLLLJJGKSA-N 320.408 2.898 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)C[C@H](O)C(F)(F)F)c(C)c1 96502847 FUHJQNRBYDJXII-ZDUSSCGKSA-N 318.339 2.676 0 40 DFAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCOCC1CC1 248041544 OZHOYFUVLIBMJR-OAHLLOKOSA-N 322.474 2.859 0 40 DFAB Cc1csc(C(=O)NCc2cc(-c3cccnc3)nn2C)c1 253471050 ANLWIQTWKFAYCV-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CCOCC[C@@H]1CN(C(=O)COC2CCCC2)Cc2cccn21 253380518 AWDNPCKMUWOYCL-MRXNPFEDSA-N 320.433 2.757 0 40 DFAB O=C(CCc1ccc(Cl)cc1)N1CCOC[C@@H]1c1ccn[nH]1 257207404 BHOYLLZMHNZSNP-OAHLLOKOSA-N 319.792 2.596 0 40 DFAB CCOc1ccccc1N(C)C(=O)Nc1cc(OC)ncn1 585140727 KAUCMOTWYZIZMF-UHFFFAOYSA-N 302.334 2.552 0 40 DFAB CCc1ccc([C@H](CNC(=O)Nc2nncs2)N(C)C)cc1 43130891 MDMDUERYKSGAQS-ZDUSSCGKSA-N 319.434 2.525 0 40 DFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccn3)c2)n1 49302901 PGPKETGMAKWKBP-UHFFFAOYSA-N 320.352 2.647 0 40 DFAB Cc1cn2nc(NC[C@H](c3ccco3)N3CCCC3)sc2n1 51235576 JUHODUCHYSWJEM-GFCCVEGCSA-N 317.418 2.941 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F 56018266 AFMXGEPYDFTPPF-JKSUJKDBSA-N 320.364 2.568 0 40 DFAB CC(C)c1nn(C)cc1CN(C)C(=O)c1cccc(N(C)C)c1 89891129 XBQPBYKPTUGYPP-UHFFFAOYSA-N 314.433 2.882 0 40 DFAB CCOC(=O)[C@H](C)NC(=O)N(C)C12CC3CC(CC(C3)C1)C2 5181133 BQMZASIEUOBBES-GVMDUPDNSA-N 308.422 2.548 0 40 DFAB CC(C)N(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C(C)C 5253648 JQPBZYSBJNZPCO-UHFFFAOYSA-N 321.808 2.695 0 40 DFAB O=C(CSc1ccc2ccccc2n1)NC[C@H]1CCCO1 5627458 VMWOKYADCKNGBR-CYBMUJFWSA-N 302.399 2.622 0 40 DFAB O=C(O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCOCC1 12156871 FZCIFCPJLIEQNG-LLVKDONJSA-N 307.321 2.590 0 40 DFAB O=C(NCCc1ccccc1)c1c[nH]c2ccc(F)cc2c1=O 12376315 RINALNMQFRIWFG-UHFFFAOYSA-N 310.328 2.640 0 40 DFAB COc1c(C(=O)C/C=C/N(C)C)c(O)c(OC)c2occc12 12902741 WDCLLVQWSJPVPB-VMPITWQZSA-N 305.330 2.804 0 40 DFAB biogenic COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1OC 13166517 YFXNXPKNQUVQHQ-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB CCOc1ccc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc1 7342457 VVASOQHSORUJBR-XFXZXTDPSA-N 319.386 2.984 0 40 DFAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CCCC1 4548515 LIMOCFDNAUIQFE-SNVBAGLBSA-N 321.377 2.979 0 40 DFAB O=C(c1cc2ccccn2c1)N1CC[C@@H](Oc2ccccn2)C1 238824783 DMCLDFSCQIVNEO-MRXNPFEDSA-N 307.353 2.628 0 40 DFAB Cc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 37238826 JKXWAIWWUOAKQM-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB O=S(=O)(CCc1ccccc1)NCC1(c2cccs2)CC1 22686576 VOIVVMNPIRHVIH-UHFFFAOYSA-N 321.467 2.942 0 40 DFAB CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@@]12CCC(=O)N2 503865252 QOQPWKXCXCRHQI-FUHWJXTLSA-N 302.418 2.718 0 40 DFAB O=C(c1cc2ccccc2s1)N1CC(Nc2ccncn2)C1 606440685 SCKDJSCUIGQMDY-UHFFFAOYSA-N 310.382 2.628 0 40 DFAB CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC 11691603 DMABOFGJAMBSJE-UHFFFAOYSA-N 318.398 2.508 0 40 DFAB Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 5555454 NWTSTPZQKALREV-UHFFFAOYSA-N 303.383 2.549 0 40 DFAB Cn1cc(Nc2cccc(NC(=O)C[C@@H]3CCOC3)c2)cn1 96449965 BMJOWEOYASAEDT-LBPRGKRZSA-N 300.362 2.529 0 40 DFAB C[C@@H]1CCc2c(C(=O)N[C@H](C)Cn3cccn3)csc2C1 40091822 IGROSDPWMKJCEM-VXGBXAGGSA-N 303.431 2.888 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccc(C)c(F)c3)nc2s1 30289619 WGEKUYJAEIOBAF-UHFFFAOYSA-N 318.377 2.773 0 40 DFAB CC(C)(C)c1noc(CCC(=O)NCc2ccccc2F)n1 31213981 KSRURBVMZQIVSR-UHFFFAOYSA-N 305.353 2.755 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)c2scnc2C)c1 40529135 RCAAZAYXCRAXER-VIFPVBQESA-N 306.387 2.960 0 40 DFAB CCc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 32073977 OTDWTJUCVUTJGB-KRWDZBQOSA-N 321.384 2.658 0 40 DFAB O=C1C[C@H](Cc2ccc(NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)C(=O)N1 101734594 UYJCAIDPDRMTSA-VGWMRTNUSA-N 310.397 2.516 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCC[C@H](O)C3)c2cc1Cl 33040238 YRLYSGLXBRXSMX-LBPRGKRZSA-N 307.777 2.712 0 40 DFAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)[C@@H]1CCCO1 46732579 PSKXOVZPPAVGFH-IRXDYDNUSA-N 319.401 2.890 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)[C@H](C)Cc2c(C)noc2C)no1 76043360 VPEOJSKRJVAIFX-YMTOWFKASA-N 318.377 2.525 0 40 DFAB C/C=C/CSCC(=O)Nc1ccc(N2CCOCC2)cc1 78797201 QPMDIVNXCTVVBC-NSCUHMNNSA-N 306.431 2.771 0 40 DFAB O=S(=O)(c1ccc(F)cc1)N1CCOc2cccc(F)c21 79103068 HKUGOSUJXFIRGY-UHFFFAOYSA-N 311.309 2.553 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccccc2)cc1OC 3398328 QOIVYNFQYYQFQO-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(C)o2)C1=O 6650398 ZFJCYFFSXPLXIT-XYOKQWHBSA-N 323.370 2.968 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccco2)c1C 8988736 XRVQAFVKNIZGOJ-JTQLQIEISA-N 304.346 2.892 0 40 DFAB O=C(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 23701909 PUBBHKQXDBIYMV-UHFFFAOYSA-N 321.380 2.807 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)Cc1c(C)noc1C 24267149 BKFRZICDEAFCJB-UHFFFAOYSA-N 317.341 2.789 0 40 DFAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccsc1 25119128 PCBMLPOXZQKHEY-JTQLQIEISA-N 307.375 2.710 0 40 DFAB Cc1ccc(NC(=O)COC(=O)C2CC2)c(Br)c1 3291157 FBTUTNLMLMBDCC-UHFFFAOYSA-N 312.163 2.649 0 40 DFAB O=S(=O)(NCc1ccco1)c1cccc(OC(F)(F)F)c1 43562329 PUYINZWJEBKOAS-UHFFFAOYSA-N 321.276 2.657 0 40 DFAB Nc1c(Cl)cc(NC(=O)c2cnn3cccnc23)cc1Cl 43523032 BGWOEQFVKPICTD-UHFFFAOYSA-N 322.155 2.871 0 40 DFAB O=C1C[C@H](C(=O)NC(C2CC2)C2CC2)c2ccc(F)cc2N1 25515057 HOHYLOWLEUHLNM-ZDUSSCGKSA-N 302.349 2.556 0 40 DFAB O=C(CSc1nnc2n1CCC2)Nc1ccc(Cl)cc1 26441864 KIIFVUHFJPYTBF-UHFFFAOYSA-N 308.794 2.609 0 40 DFAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccccc2)CC1 57024255 OSCFPGJZCMZFFY-QGZVFWFLSA-N 323.440 2.860 0 40 DFAB CC(C)CCNC(=O)CN1CCN(c2ccccc2Cl)CC1 57381136 FYOQMJCMRHXCKI-UHFFFAOYSA-N 323.868 2.624 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)Nc1cccnc1N1CCCC1 48172262 IBTJPRFZGLTIDQ-UHFFFAOYSA-N 314.393 2.676 0 40 DFAB CCOc1ncccc1NC(=O)NC1CC(C)(C)NC(C)(C)C1 48207437 DISNWXQKOXLATP-UHFFFAOYSA-N 320.437 2.911 0 40 DFAB Cc1nc2ccccc2nc1COC(=O)C1(O)CCCCC1 48275368 DTRLYFDUNHEDHQ-UHFFFAOYSA-N 300.358 2.677 0 40 DFAB Cc1noc(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)n1 44741666 FLMWMLIVYULSHV-LBPRGKRZSA-N 320.824 2.910 0 40 DFAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCOCC1 44894216 XJMUXUABFSAZLE-UHFFFAOYSA-N 320.776 2.786 0 40 DFAB CCN(Cc1ccco1)C(=O)c1cc(OC)c2c(c1)OCCO2 44909313 WLQLQORTRALBRJ-UHFFFAOYSA-N 317.341 2.722 0 40 DFAB CCN1CCC[C@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 58393742 HZDORRVPQFRKRY-CQSZACIVSA-N 303.406 2.743 0 40 DFAB Cn1ccnc1SCc1ccc(C(=O)Nc2ccccn2)o1 28099544 HBPOJFORPSSPCM-UHFFFAOYSA-N 314.370 2.953 0 40 DFAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCOCC1 58679316 HISWVLQDEHRSEJ-UHFFFAOYSA-N 317.307 2.970 0 40 DFAB Cc1c(C(=O)NCCNC(=O)C(C)C)oc2c(Cl)cccc12 36656180 RNAVDVYEWCPNQP-UHFFFAOYSA-N 322.792 2.897 0 40 DFAB COc1ccc(CNC(=O)NCc2cccc(OC)c2)cc1 12802490 UBCRDIKPBPEUGI-UHFFFAOYSA-N 300.358 2.703 0 40 DFAB c1cc(-c2noc(CN(C[C@@H]3CCOC3)C3CC3)n2)cs1 46092242 ZUXNJHWGHJARNJ-NSHDSACASA-N 305.403 2.799 0 40 DFAB CC(C)N(C(=O)COC(=O)c1ccccc1O)c1ccccc1 3417182 SXOINQNXDXNYPS-UHFFFAOYSA-N 313.353 2.991 0 40 DFAB CN(CCOc1ccccc1F)C(=O)c1cccnc1S 29830821 QQBMQNBUTVOROG-UHFFFAOYSA-N 306.362 2.660 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(O)c1 12938061 OWOAVWHXGVSOGN-GFCCVEGCSA-N 314.316 2.904 0 40 DFAB CC(C)Cc1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 38361528 BAWJSOFBPMDHIG-XJKSGUPXSA-N 319.449 2.755 0 40 DFAB CCc1ccc(O)c(-c2cc(C(=O)Nc3cccnc3)n[nH]2)c1 13121831 VHGKLMRCEJAGSP-UHFFFAOYSA-N 308.341 2.992 0 40 DFAB O=C(CN1CCO[C@@H]2CCCC[C@H]21)N(C1CCCC1)C1CC1 63567790 QNOGGHSRJYCDFG-IAGOWNOFSA-N 306.450 2.563 0 40 DFAB C[C@@H](C(=O)NC(C)(C)C)N1C(=O)c2cccc3cccc(c23)C1=O 4159796 ICNHBNILWHCWKK-NSHDSACASA-N 324.380 2.739 0 40 DFAB CCCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 13986052 IINQJGNFJJOHEV-CYBMUJFWSA-N 311.179 2.626 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)c1 77658491 HNHHMHBRLDLRDK-KGLIPLIRSA-N 324.446 2.781 0 40 DFAB COC[C@H](NC(=O)NCc1cnc(C)s1)c1ccc(C)o1 84195211 IMUUOZLDDWSTFU-LBPRGKRZSA-N 309.391 2.540 0 40 DFAB Cc1ccc(C)c(OCCCn2cnc3ncccc3c2=O)c1 14241645 WDWXDTWKRCPCOC-UHFFFAOYSA-N 309.369 2.877 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1 6539763 HBQFXCGAWWBDQU-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)c(F)c1 14420216 QJPUKAMMADIYDG-VIFPVBQESA-N 319.311 2.946 0 40 DFAB O=C(O)C[C@H](NC(=O)C1CCCCC1)c1ccc2c(c1)OCO2 4720732 LDIPFBBQAJXABG-ZDUSSCGKSA-N 319.357 2.628 0 40 DFAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)NC1CC1 5619591 FUHIOHODRDBNND-NSHDSACASA-N 316.430 2.643 0 40 DFAB Fc1ccc([C@@H]2CN(Cn3cc(Cl)cn3)CCO2)cc1F 66794613 GINDPELATFXJGS-AWEZNQCLSA-N 313.735 2.846 0 40 DFAB CCCn1c(O)nnc1SCc1cn2cc(Cl)ccc2n1 5983434 GHINZUNUDYYAHP-UHFFFAOYSA-N 323.809 2.987 0 40 DFAB Cc1ccccc1-c1nc(CN(C)Cc2cnc(N)nc2)c(C)o1 67756495 OWTFZASIKFIJCS-UHFFFAOYSA-N 323.400 2.963 0 40 DFAB COc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cn1 8018876 MZROGNUASDZMML-UHFFFAOYSA-N 302.305 2.831 0 40 DFAB C[C@H]1CN([C@@H](CNCc2cccn2C)c2cccs2)CCO1 72291871 QGDRBEQAGFTCGL-HOCLYGCPSA-N 319.474 2.638 0 40 DFAB O=C1CC[C@@H](C(=O)N2CC=C(c3cccc4ccccc34)CC2)N1 69034546 UCYRNHGHJMHYLU-SFHVURJKSA-N 320.392 2.734 0 40 DFAB OCC1(NCCOc2ccc(Cl)cc2Cl)CCOCC1 69248436 JPGHJPNMYSOYIM-UHFFFAOYSA-N 320.216 2.503 0 40 DFAB C[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccco1 8249540 XVKHAQIQMOWFNM-QMMMGPOBSA-N 324.431 2.675 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1 70011057 DAGZINSEYSEONX-QGZVFWFLSA-N 322.412 2.837 0 40 DFAB C[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 96406894 SSOJAVDHVDCJQA-CYBMUJFWSA-N 307.413 2.971 0 40 DFAB c1ccc(-n2ccnc2)c(CNc2ccc3nccnc3n2)c1 91506121 JJPZJNZKOQVJBP-UHFFFAOYSA-N 302.341 2.823 0 40 DFAB Cc1nnc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cn12 69581695 ZQSROEFIXCAYFB-MRXNPFEDSA-N 306.369 2.845 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1 25643430 IFGOIZMPRIXJLH-CYBMUJFWSA-N 303.333 2.788 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2nccn2C)CC1 69738132 BLIAXKYIVTZKLC-CYBMUJFWSA-N 322.453 2.545 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)C1=Cc2ccccc2OC1 18076752 ZEGIXNNTANGFTK-UHFFFAOYSA-N 309.321 2.872 0 40 DFAB O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCc2ccccc2C1 69808586 GNNBWFZOADTGRH-MRXNPFEDSA-N 324.428 2.576 0 40 DFAB Cc1ccnc(NC(=O)CN(C)C(=O)C=C(C2CC2)C2CC2)c1 69896253 PWWNQFKAMXUQHG-UHFFFAOYSA-N 313.401 2.533 0 40 DFAB CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H]2CCOC2)ccn1 71896608 OLGALZOXYOWCDX-DZGCQCFKSA-N 306.406 2.548 0 40 DFAB COc1ccc(C(=O)N2CCOc3ccccc3C2)c(OC)c1 71820040 PYFKAVHYYDZUOH-UHFFFAOYSA-N 313.353 2.739 0 40 DFAB COCCOc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 72304750 HKMHPFKAPFWAFY-HIFRSBDPSA-N 319.405 2.903 0 40 DFAB Cc1ccc(F)cc1NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 95458162 AMGDUSYXEBHZKU-CZUORRHYSA-N 308.353 2.594 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CCS1 95403685 ZCFSZWIWRFCHBU-HNNXBMFYSA-N 301.415 2.843 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)N[C@](C)(CO)C1CC1)CCO2 95966580 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CNHGXXMTYZEXBF-UHFFFAOYSA-N 310.810 2.511 0 40 DFAB CC(=O)N1CCC[C@H](c2cncc(Nc3cccc(C)n3)n2)C1 72354321 HSBWHQDTNZOKRT-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB COCCc1nc(N)cc(Nc2ccc(Br)cc2)n1 49467718 GOHWGANAOQUGFJ-UHFFFAOYSA-N 323.194 2.754 0 40 DFAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CC 225421254 CJXNSFFGKCAASI-INIZCTEOSA-N 320.433 2.739 0 40 DFAB CCC[C@]1(COC)CCCN1C(=O)NCc1c(C)nn(C)c1C 193966075 CXDKTFZHXYTKOW-QGZVFWFLSA-N 322.453 2.528 0 40 DFAB CCOC1(C(=O)Nc2ccc(OCCOC)cc2)CCCC1 225707286 REGYSHQBPHYFHX-UHFFFAOYSA-N 307.390 3.000 0 40 DFAB CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2csnc2C)C1 192955680 WIVUYGQWOHQFJW-OAHLLOKOSA-N 310.419 2.503 0 40 DFAB COCc1cc(N2CCC(c3c[nH]c4ncccc34)CC2)ncn1 582380226 TUOJAHKWKVRPLE-UHFFFAOYSA-N 323.400 2.883 0 40 DFAB COc1ccnc(CNC(C)(C)c2ccc3c(c2)OCCO3)c1 97371972 XFSFGOWPWMFHPT-UHFFFAOYSA-N 314.385 2.886 0 40 DFAB Cc1nnc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)s1 96192477 PZWJZSUHXPFGCF-CQSZACIVSA-N 320.349 2.507 0 40 DFAB O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)[C@H]1CCOC1 96449802 WCVZTXLXVPUTIQ-JTQLQIEISA-N 324.283 2.918 0 40 DFAB CCc1n[nH]c(NC(=O)CCCSC)c1Br 96450006 XPSRVRPBZRKUJO-UHFFFAOYSA-N 306.229 2.816 0 40 DFAB Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 257277247 NXAYZMBDYQOTDM-OAHLLOKOSA-N 309.373 2.664 0 40 DFAB CNc1cc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)ccn1 257331228 XRXMAAUGAAKKIW-AWEZNQCLSA-N 314.389 2.748 0 40 DFAB c1cc(C[C@@H]2COCCN(Cc3cc[nH]n3)C2)c2ccoc2c1 257250141 JLERAVUJCWPODK-AWEZNQCLSA-N 311.385 2.847 0 40 DFAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc3nccn23)C1 257238186 HJXYAZJKDPRUCN-OAHLLOKOSA-N 306.369 2.749 0 40 DFAB COc1ccc(OC)c(C(=O)c2c(OC)cccc2OC)c1 95916706 BZLXEMPUEIDEDQ-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB O=C(c1cccs1)N1CCCN(C2CCSCC2)CC1 93385749 LJZMBPOWQRLCJJ-UHFFFAOYSA-N 310.488 2.792 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68650732 CDAIOFMWOLYXKD-HGNGGELXSA-N 316.184 2.775 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)on1 72232176 VIXAWPUZXHXBRI-NSHDSACASA-N 304.350 2.509 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cnsn2)cc1OC 47623884 HHMWUVSEDRORNJ-LBPRGKRZSA-N 319.386 2.533 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cc2c(cc1Cl)OCCO2 73082990 CQHOSVZNWLAQIX-UHFFFAOYSA-N 322.748 2.897 0 40 DFAB COCc1nc(CSCc2cn3c(C)cccc3n2)no1 97083840 VHUAPCGYNBJASI-UHFFFAOYSA-N 304.375 2.606 0 40 DFAB OC[C@H](O)CSCc1nc(-c2c(F)cccc2F)cs1 97164256 ORPPMSSPHULUTI-QMMMGPOBSA-N 317.382 2.675 0 40 DFAB CC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 80056118 WYFNASHOUCOQJV-UHFFFAOYSA-N 318.354 2.730 0 40 DFAB NC(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 575030 ULOSQYRTVFOBEP-OQLLNIDSSA-N 317.348 2.619 0 40 DFAB CCOC(=O)C1(SC)CCN(C(=O)OC(C)(C)C)CC1 115741062 LRGKTXXUBMJMIC-UHFFFAOYSA-N 303.424 2.682 0 40 DFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C(C)(C)C)nn2c(O)c1C 12336953 ZUYVJZKMSRKHDW-ZDUSSCGKSA-N 316.405 2.761 0 40 DFAB C[C@@H](Cc1ccccn1)N(C)C(=O)c1cnc(C(C)(C)C)nc1 12290407 ZABGSKCPHLTKSZ-ZDUSSCGKSA-N 312.417 2.872 0 40 DFAB Cc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 19117944 UQHYKKJGXHTTLS-CQSZACIVSA-N 301.365 2.597 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(F)cc1F 3435037 IRUXYDJVMKQSAB-QMTHXVAHSA-N 311.328 2.817 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc(C(F)(F)F)cs2)C1 1889070485 DREOBKWRBZBPNJ-QMMMGPOBSA-N 321.368 2.903 0 40 DFAB O=C(NCCc1ccccn1)c1ccc(N2CCCCC2=O)cc1 21774808 SLYWOAKCMIOSFD-UHFFFAOYSA-N 323.396 2.571 0 40 DFAB CCN1CC2(CCC1=O)CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 1614927229 BHSJXDCVHSITNV-SFHVURJKSA-N 318.461 2.984 0 40 DFAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccno3)o2)cc1 21001113 JRGBJIYVRVGZDP-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB c1ccc2c(c1)CCN2c1ncnc2c1ncn2C[C@@H]1CCCO1 2298092172 VPCYDSSQQUUTGC-AWEZNQCLSA-N 321.384 2.700 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1F 32745014 UCVXRPYOLNWCSZ-VIFPVBQESA-N 314.320 2.597 0 40 DFAB COc1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 62286 HSFSQVKOLXYJDV-ZSOIEALJSA-N 323.304 2.768 0 40 DFAB COc1ccc(CNC(=O)N[C@H](C)c2ccccn2)cc1OC 30996490 RWRABEIWHYOZGF-GFCCVEGCSA-N 315.373 2.659 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)CCc2nc(-c3cccnc3)no2)C1 40510974 LYLRRDPGAUTXGZ-STQMWFEESA-N 314.389 2.569 0 40 DFAB COc1ccc(C2=C[C@H](c3cccs3)n3nnnc3N2)cc1 101025793 SQGJPBNWOOWYAI-CYBMUJFWSA-N 311.370 2.799 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 342065 UYPVRSSVKVJEKP-UHFFFAOYSA-N 308.403 2.722 0 40 DFAB CCCNC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 32752909 PVXFEXHQWHQFHY-UHFFFAOYSA-N 318.377 2.869 0 40 DFAB COCCS[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 32778809 VHYRGLCBXXWQQJ-JTQLQIEISA-N 305.407 2.638 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccccc2)C(C)C)C1 32914610 WXKLEHIBMNAJTE-ZWKOTPCHSA-N 316.445 2.801 0 40 DFAB Cc1nn(C)c(C)c1N1C(=O)c2cccc3cccc(c23)C1=O 281820 KCFFONJRGGXXSS-UHFFFAOYSA-N 305.337 2.991 0 40 DFAB COc1ccc(C(=O)N2N=C(C)C[C@]2(O)c2ccccc2)cc1 283751 ALLDWVYVSJYWGZ-SFHVURJKSA-N 310.353 2.762 0 40 DFAB CC(C)[C@H](O)CCNC(=O)c1ccc(F)cc1Br 76022694 IMAISZYOSAIDTH-GFCCVEGCSA-N 318.186 2.725 0 40 DFAB CC(C)c1ccsc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76052806 JPSRUAVYDMAXQE-UKRRQHHQSA-N 322.474 2.664 0 40 DFAB Cc1cc(=O)oc2cc(OCCSC(=N)N(C)C)ccc12 77411225 QJFCLPRHXSXDPI-UHFFFAOYSA-N 306.387 2.710 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2noc3c2CCCC3)cc1 7000298 SJNUXGTXLGQHKD-UHFFFAOYSA-N 314.341 2.982 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)OCC(C)C)ccc21 42467696 TWBDKORVYURVML-GFCCVEGCSA-N 304.390 2.595 0 40 DFAB COc1ccc(CSc2nc(=O)n3cc(C)ccc3n2)cc1 3134610 MHKSEWBIVMMAAO-UHFFFAOYSA-N 313.382 2.699 0 40 DFAB CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 23321250 NHFKCKMTXJPNOA-JKSUJKDBSA-N 312.344 2.928 0 40 DFAB CC(C)(O)COc1ccc(Nc2cc(Cl)nc(N)n2)cc1 72289234 HMARXNADPARWHJ-UHFFFAOYSA-N 308.769 2.606 0 40 DFAB CC(C)(C)c1ccc(C2(C(=O)NC[C@H]3COCCO3)CC2)cc1 55847365 NTFBZLPBPDGWBP-INIZCTEOSA-N 317.429 2.547 0 40 DFAB COCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 25704762 IBBBQVLUIBBELU-UHFFFAOYSA-N 310.806 2.769 0 40 DFAB C[C@H]1CN(CCNC(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1 26224983 VJFQBMGBSFBKME-TXEJJXNPSA-N 311.813 2.571 0 40 DFAB CCc1noc([C@H](C)N2CCN(c3ccccc3F)CC2)n1 44285441 DPZYRJLUBKTSNK-LBPRGKRZSA-N 304.369 2.654 0 40 DFAB CCNC(=O)NC(=O)[C@H](C)Sc1cccc2cccnc12 57469345 XBIRABFZEXEPPW-JTQLQIEISA-N 303.387 2.561 0 40 DFAB CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1cccc2[nH]ccc12 109076985 QWDKJZBBOMAQCR-LJQANCHMSA-N 321.424 2.957 0 40 DFAB O=S(=O)(c1ccc(Oc2ccccc2F)nc1)N1CCCC1 12632903 SNFSMNOVPZPBCS-UHFFFAOYSA-N 322.361 2.798 0 40 DFAB CCCCc1noc(CNc2ccc(Cl)cc2C(N)=O)n1 58160285 OZCCONJBMMRYRO-UHFFFAOYSA-N 308.769 2.777 0 40 DFAB CC(C)n1ncc2cc(NC(=O)NCc3nccs3)cnc21 58210506 NQEWONZCUGRNFI-UHFFFAOYSA-N 316.390 2.790 0 40 DFAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccnc(-n2ccnc2)c1 58209126 JMGWNHIRWBVOOM-CVEARBPZSA-N 304.353 2.553 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)N(CCO)CC1CC1 58231061 LDIGOMCZPHFAMU-UHFFFAOYSA-N 302.296 2.942 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58379109 WSRQQMNFQSTCFL-OAHLLOKOSA-N 303.406 2.787 0 40 DFAB CCCCNc1nc(-n2nc(C)cc2C)ncc1C(=O)OCC 2369217 BMWYCJLYVGHGSD-UHFFFAOYSA-N 317.393 2.668 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)NCc2ccccc2F)c1 3330866 OLTUTWKYWKZSOM-UHFFFAOYSA-N 314.360 2.570 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ncccn3)cc2)n1 27970338 PGDNXVJQASVIGC-UHFFFAOYSA-N 307.357 2.591 0 40 DFAB COc1cccc(CSc2nnnn2-c2ccc(O)cc2)c1 2662716 RPFUUGTXMJYBLL-UHFFFAOYSA-N 314.370 2.669 0 40 DFAB COc1cccc(CN(C)C[C@@H](O)COc2ccc(C)cc2)c1 12855314 FQTSNNKIVAQLQA-QGZVFWFLSA-N 315.413 2.875 0 40 DFAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(-n2cncn2)cc1 12894868 GOGACKZHIMRDMA-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1 72273864 BVRHVFBYTLCYPH-ZDUSSCGKSA-N 304.419 2.861 0 40 DFAB O=C(Nc1nccnc1C(=O)O)c1cc(Cl)cc(Cl)c1 63215454 RDYPRTOIPNOHKJ-UHFFFAOYSA-N 312.112 2.734 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)/C=C/c2cccc(F)c2)C1 6049416 MZXBQWBRVIPQBT-JLVOYYQZSA-N 319.376 2.887 0 40 DFAB Cc1nc(N)nc(N2CCCCC2)c1CCOc1ccccc1 5274855 GJVGJOHDSZPFPD-UHFFFAOYSA-N 312.417 2.979 0 40 DFAB COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cnc(C)cn1)[C@@H]2C 96005918 IJKRGTJXBIRPOV-QWHCGFSZSA-N 311.385 2.942 0 40 DFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCCCC1 14371550 IDXLWAOTFXAFDM-UHFFFAOYSA-N 305.403 2.523 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4731586 VUWZTRWOYFHENL-GFCCVEGCSA-N 304.365 2.945 0 40 DFAB CCCn1cc(NC(=O)NC[C@@H](C)c2ncc(C)s2)cn1 97113323 DWXMMPYZYQWKGU-SNVBAGLBSA-N 307.423 2.983 0 40 DFAB O=C(CN1CCCCCC1)N=c1c2c([nH]c3ccccc13)CCC2 5814145 RFOYJDJLZDUKME-UHFFFAOYSA-N 323.440 2.960 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2ccccc2C)cc1 6963598 GWLCHHMLINBNNY-UHFFFAOYSA-N 305.399 2.872 0 40 DFAB CN(C)C1(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCCC1 67200119 FRJHJAVRVAKXGF-CVEARBPZSA-N 304.409 2.920 0 40 DFAB CNC(=O)[C@H]1CN(Cc2cccc(Cl)c2)c2ccccc2O1 7252505 FIPANPYASRWCIQ-MRXNPFEDSA-N 316.788 2.854 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Oc1cccc2cccnc12 16089183 HPKTYCXFBILHFC-UHFFFAOYSA-N 304.327 2.607 0 40 DFAB CC(C)c1ccc(OCC(=O)N2CCC(C(=O)O)CC2)cc1 8026814 HWEIWYBCPCMQKO-UHFFFAOYSA-N 305.374 2.512 0 40 DFAB COc1nc(C)ccc1CNC(=O)N(C)CCc1cccs1 96439733 NMFJASKDOSAFOW-UHFFFAOYSA-N 319.430 2.844 0 40 DFAB Cc1noc([C@@H](C)NC(=O)C[C@H]2CCOc3ccccc32)n1 96409861 YJHYCWNBQJEKGJ-ZYHUDNBSSA-N 301.346 2.512 0 40 DFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(F)c1 8287817 BMNDGJRUIJXXQI-UHFFFAOYSA-N 307.346 2.628 0 40 DFAB Cc1cc(C)c(NC(=O)COc2nnc3ccccn23)c(C)c1 8224884 JRNQVALFLZWERR-UHFFFAOYSA-N 310.357 2.672 0 40 DFAB COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H](C)OC 70040739 AAGVQIUZAMNWMQ-GXFFZTMASA-N 319.323 2.886 0 40 DFAB CCOCCO[C@H](C)C(=O)N1CC[C@H](c2ccccc2C)C1 69455929 WCWWHLLCBHGNCF-CVEARBPZSA-N 305.418 2.753 0 40 DFAB Cc1nc(-c2ccsc2)sc1C(=O)N(CC(N)=O)C(C)C 69454476 IWDNZEJWBOKIFM-UHFFFAOYSA-N 323.443 2.516 0 40 DFAB C[C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)n1cnc2ccccc21 71826867 BRMORTARXPAUOO-COXVUDFISA-N 313.401 2.767 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)n1cncn1 69557754 ANVURHZYDKVPBB-KBPBESRZSA-N 308.385 2.740 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(c3nc4ccccc4o3)C2)n1 69698101 WQAUTEUKMVECIV-CQSZACIVSA-N 311.389 2.953 0 40 DFAB CN(CCOc1ccccc1F)C(=O)c1cnn2ccccc12 69653716 UTSUDQGSVHTOHD-UHFFFAOYSA-N 313.332 2.624 0 40 DFAB C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 71835124 NQWHTLJBTGRRAA-SECBINFHSA-N 314.332 2.667 0 40 DFAB CN(c1nc2ccccc2o1)[C@H]1CCCN(c2cccnn2)C1 69815982 FGWSGKLLMLJFJA-ZDUSSCGKSA-N 309.373 2.723 0 40 DFAB CC(=O)Nc1ccc(C(=O)Oc2ccc3c(c2)OCO3)s1 8745319 BXONWFQFLTZFIY-UHFFFAOYSA-N 305.311 2.654 0 40 DFAB Clc1snnc1CN1CCC[C@@H]1c1noc(C2CC2)n1 72300041 IMHOZVHACDFLRP-SECBINFHSA-N 311.798 2.789 0 40 DFAB COC(=O)c1ccccc1NCc1nccn1CC(F)(F)F 72301917 CKUQYZIJXFENOT-UHFFFAOYSA-N 313.279 2.844 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N[C@H](C)Cn2ccnc2)s1 72563746 PCBFRHTZIIUJRZ-MRVPVSSYSA-N 315.345 2.673 0 40 DFAB Cc1noc(C)c1[C@H](C)N[C@H](C)C(=O)NCc1ccccc1F 95397390 IKIQBMSQIDGKNP-CMPLNLGQSA-N 319.380 2.786 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)OCC3(C)COC3)c12 95373442 RXZDUVNCXIHUCC-UHFFFAOYSA-N 302.330 2.602 0 40 DFAB CC[C@@](C)(CO)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 95399122 VXCWCTPRJSARGL-PLTIAYLTSA-N 312.454 2.668 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc3ncccc3c2)[C@H](C)C1 84718255 IKQSTBDIYYPOTJ-RHSMWYFYSA-N 311.429 2.971 0 40 DFAB O=C1[C@@H](Nc2ccn(CC(F)(F)F)n2)CCN1c1ccccc1 95430817 CETHZRLVKXQBHO-LBPRGKRZSA-N 324.306 2.663 0 40 DFAB CCOCOc1ccc(CNC2CCN(C3CC3)CC2)cc1 95462185 UHEJHKZYUPEJLR-UHFFFAOYSA-N 304.434 2.776 0 40 DFAB CCOc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1 22412519 SVTJOKBITZDCMT-UHFFFAOYSA-N 301.390 2.719 0 40 DFAB C[C@@H](NC(=O)N1CCOC[C@H]1c1ccccc1)c1cccnc1 73523814 INWRYDSZGRBPRK-PBHICJAKSA-N 311.385 2.926 0 40 DFAB C[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CC(C)(C)O1 95960158 KLQCSMAGUVWBPK-KBPBESRZSA-N 303.402 2.969 0 40 DFAB Cc1nc(Cc2noc(Cc3c(F)cccc3Cl)n2)no1 95955924 XECJVZPWGDWGBO-UHFFFAOYSA-N 308.700 2.735 0 40 DFAB C[C@H](SCc1ccn(-c2ccccc2)n1)C(=O)NC1CC1 89448728 UFUDVZVBJPXSTB-LBPRGKRZSA-N 301.415 2.773 0 40 DFAB O=C(NCCn1ccnc1)NCC1(Cc2ccccc2)CCC1 89830292 QGWHONOTBXXPBB-UHFFFAOYSA-N 312.417 2.595 0 40 DFAB CC(C)N(CCc1nccs1)C(=O)CCCn1ccnc1 89869599 KQXWEGQSMIFSIQ-UHFFFAOYSA-N 306.435 2.600 0 40 DFAB CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1 89950263 RIEUIOPAJMOFCJ-CYBMUJFWSA-N 310.394 2.979 0 40 DFAB COc1ccccc1-c1ccc(N2CCC(CCO)CC2)nn1 1548492065 HLXFDFXWSGAMBR-UHFFFAOYSA-N 313.401 2.751 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2N)c(C)c1 9338801 HUTFSHSJGRNTLN-UHFFFAOYSA-N 312.369 2.990 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(C)c1 408486394 SLKHXTYFHURNDD-RDBSUJKOSA-N 307.415 2.545 0 40 DFAB CN=[S@](C)(=O)c1cccc(NC(=O)c2ccn(C(C)C)n2)c1 521395372 YDPFRDUHRNNZRQ-JOCHJYFZSA-N 320.418 2.803 0 40 DFAB CC[C@H](CNC1=NCCN1)Cc1cccc(Br)c1 77887852 STKFHQPHNCUHNN-NSHDSACASA-N 310.239 2.567 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)c2ccc[nH]c2=S)c1 31367962 SFMQOMDWJZLTRV-UHFFFAOYSA-N 315.398 2.975 0 40 DFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCCCCC1 1547206061 TZNLPFSUOPIHMN-UHFFFAOYSA-N 320.433 2.707 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)CC[C@@H]3CCCO3)c2c1 79051233 BGLRAMFYVHUEPS-AWEZNQCLSA-N 316.401 2.794 0 40 DFAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)Oc2ccccc21 72338381 JMWMEVNWEDRLEI-IBGZPJMESA-N 308.381 2.801 0 40 DFAB COc1ccc(NC(=O)CSc2nnc(S)s2)cc1 36729338 CLGYZVKDWKISNW-UHFFFAOYSA-N 313.429 2.566 0 40 DFAB COCCNc1c(C)c(C)nc2cc(-c3ccoc3C)nn12 72336846 OSUHTHVLXPHQIH-UHFFFAOYSA-N 300.362 2.973 0 40 DFAB CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C(=O)OC 225803708 CUSDJODMHNWXGE-UHFFFAOYSA-N 321.373 2.770 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226387895 OAPZOXGLZGZDEE-IKIFYQGPSA-N 322.408 2.726 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC2(CC1)OCCCO2 75156622 NDRLPCBZMGMELO-UHFFFAOYSA-N 301.795 2.771 0 40 DFAB CC[C@@H]1CN(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc2O1 45795948 XNLWUNWBCVQRJB-QWHCGFSZSA-N 318.373 2.581 0 40 DFAB Cc1ccc(CCNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cn1 80204926 AZLRJTPZGLGMGB-SFHVURJKSA-N 310.397 2.669 0 40 DFAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C 195558652 QCZBILRXHMYNOL-QKPAOTATSA-N 324.465 2.691 0 40 DFAB C[C@@H](NC(=O)N1CCOC[C@H]1C)c1cccc(N2CCCC2)c1 87281599 SPEJVEITBZTCLV-HUUCEWRRSA-N 317.433 2.778 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1Cl)[C@H]1COc2ccccc21 96437363 UIIQAHLRRUYEHR-DZGCQCFKSA-N 317.772 2.666 0 40 DFAB C[C@H](NC(=O)c1nccn2ccnc12)c1cc(F)c(F)c(F)c1 95404263 PZAABRSNBGIEEG-QMMMGPOBSA-N 320.274 2.638 0 40 DFAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1cnccn1 96451314 LDKXTXOGWSEGDI-CQSZACIVSA-N 319.792 2.946 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(CCCn2ccnc2)CC1 97378921 SVUPCEGYEPCIGZ-HNNXBMFYSA-N 304.463 2.714 0 40 DFAB Cc1nc([C@H]2CCCCN2)ncc1C(=O)Nc1ccc(F)cc1 257268483 MLWBRJVPIWZSLO-OAHLLOKOSA-N 314.364 2.991 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@@H](Cc2ccn[nH]2)C1 257256929 KNKVMJYAFRHKFR-AWEZNQCLSA-N 315.392 2.963 0 40 DFAB Nc1cnn(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1 255190446 XGXYQABFRWBPHA-UHFFFAOYSA-N 304.309 2.623 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)ccn1 257238358 HKPNTINSXIBRHC-HNNXBMFYSA-N 314.389 2.634 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1cnccn1 257316807 VHBVLPWYEITHIU-INIZCTEOSA-N 321.384 2.649 0 40 DFAB Cc1cc(CS[C@H]2CCNC2=O)ccc1Br 252483660 FGQFIVHDRLLVRX-NSHDSACASA-N 300.221 2.879 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@@H](c4cnccn4)C3)c2n1 257322353 WFQRJCHOGGQKLW-OAHLLOKOSA-N 322.416 2.516 0 40 DFAB Cc1cc(Cl)ccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 263268392 LMIYXBRKBQQJDW-CYBMUJFWSA-N 307.777 2.975 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 262562325 VUJUHYRRYIPHAL-ZDUSSCGKSA-N 316.357 2.532 0 40 DFAB Cc1cnc(-c2noc(-c3cccc(OCC(F)F)n3)n2)nc1 390833345 GIOOGXBQWIWFJT-UHFFFAOYSA-N 319.271 2.541 0 40 DFAB C[C@H]1CCCc2ncc(C(=O)Nc3cccc(CC(=O)O)c3)n21 652062499 MBGKSXBAQDZSTO-NSHDSACASA-N 313.357 2.660 0 40 DFAB CC[C@@H](CNC(=O)c1ccccn1)N1CCc2ccccc2C1 29909012 CODDLJZKFDDCNM-KRWDZBQOSA-N 309.413 2.648 0 40 DFAB CONC(=O)c1ccc(-c2ccccc2Br)n1C 69436167 DTYJFJDFIZPGHC-UHFFFAOYSA-N 309.163 2.746 0 40 DFAB Cc1cc(C)cc(N(C)Cc2cc(=O)n3nc(C)sc3n2)c1 54291571 MJIXCGOYBMSZBM-UHFFFAOYSA-N 314.414 2.713 0 40 DFAB Cn1c(CN(C[C@H]2CCCO2)C2CCCC2)nnc1C1CC1 75830922 QOZSPSBVYPHFEI-OAHLLOKOSA-N 304.438 2.616 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)Cc1coc2cc(C)ccc12 95445651 UBPMSYYMEBKDFG-ABAIWWIYSA-N 307.415 2.512 0 40 DFAB CC(C)C[C@@H](C(=O)N[C@H](C)c1nccs1)N1CCCCC1=O 87254072 DPBSOTPBQCDLDY-OLZOCXBDSA-N 323.462 2.748 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C1CC1)[C@@H](C)c1ccccn1 95956248 ZDZXRFJUDWANEH-NSHDSACASA-N 321.402 2.601 0 40 DFAB COc1ccc(CCNc2nccn3nc(C)cc23)cc1OC 274655308 HURDCLFPTLYXCY-UHFFFAOYSA-N 312.373 2.710 0 40 DFAB CCOC(=O)CCCN(CC)[C@@H]1CCN(Cc2ccccc2)C1 95940571 IWMBRYFVWSKEHB-GOSISDBHSA-N 318.461 2.926 0 40 DFAB C[C@H]1[C@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C 5464504 MOSYSGPJTJMMDV-JQHSSLGASA-N 318.461 2.763 0 40 DFAB Cc1ccc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2c1 11692904 DJZRXDXFJGBMAX-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB Nc1nc(O)c(N=O)c(Nc2ccc(Br)cc2)n1 17315233 XMWJXJKTGNHLCH-UHFFFAOYSA-N 310.111 2.668 0 40 DFAB COC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CCOCC1 19236970 ONDVTXOVEYCELJ-AWEZNQCLSA-N 317.385 2.848 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccccn3)cn2)n1 19658319 CYOLSISEPLVTRQ-CQSZACIVSA-N 321.384 2.770 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1ccccc1Cl 19736178 MBLQUEILFJPSDA-UHFFFAOYSA-N 306.749 2.948 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)s1 24020405 QPRSHBBCSLWRLG-UHFFFAOYSA-N 300.339 2.535 0 40 DFAB CCOC(=O)c1sc(NC(=O)Cc2ccccc2)nc1C 5953108 QOGYVRJAMQWMHZ-UHFFFAOYSA-N 304.371 2.809 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccnc1 10903175 PWRQBKJBQAPZLT-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)no1 425650 RLRIFVVAMNYTCR-UHFFFAOYSA-N 313.269 2.619 0 40 DFAB CS(=O)(=O)Nc1cccc(-c2nc3cccnc3s2)c1 4036371 IIKMNQAMQRZJCC-UHFFFAOYSA-N 305.384 2.730 0 40 DFAB O=C(c1cccc2ccccc12)N1CC[C@H](Oc2ccncn2)C1 575609974 DIYOPCQMOOXPHJ-HNNXBMFYSA-N 319.364 2.923 0 40 DFAB O=C(Cc1ccsc1)NCc1nc(C2CCSCC2)no1 575618300 UXALJCNNQIBMAY-UHFFFAOYSA-N 323.443 2.601 0 40 DFAB CCOc1ccc(C(=O)NC[C@](O)(c2ccco2)C2CC2)cc1 75154887 ASJNNDDHZSEFAS-GOSISDBHSA-N 315.369 2.706 0 40 DFAB CCCCn1nnnc1CN1CCC[C@H]1c1cccc(OC)c1 40038983 KQYPPQIXHZSQGD-INIZCTEOSA-N 315.421 2.819 0 40 DFAB CCn1c(SCCC(=O)Nc2cc(C)on2)nnc1C1CC1 40465680 YIVSKRXWIUFPFD-UHFFFAOYSA-N 321.406 2.593 0 40 DFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1scnc1C 40534016 FDIFKHAEJVZQEA-LBPRGKRZSA-N 318.398 2.754 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(O)cc2)CC1 51154692 YBCQCDKLRZBYPI-LBPRGKRZSA-N 314.389 2.536 0 40 DFAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(C(N)=O)cc1 101063531 XLKQXTSXCKXRBZ-JQFCIGGWSA-N 312.413 2.848 0 40 DFAB Cc1nc(CN2CCN(Cc3cccc4ccccc34)CC2)no1 51592765 WOVLDJXXJDVGCE-UHFFFAOYSA-N 322.412 2.849 0 40 DFAB CCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20719873 UQCFSIJEZWBXCC-HNNXBMFYSA-N 321.808 2.585 0 40 DFAB CCOC(=O)c1nc2ccccc2c(=O)n1-c1cccc(C)c1 348377 BABSMFCMIFHXEI-UHFFFAOYSA-N 308.337 2.871 0 40 DFAB O=C(NCCCC(=O)N1CCC[C@H]1c1cccs1)C1CC1 32700486 GCWAXYZDBLXMMX-ZDUSSCGKSA-N 306.431 2.718 0 40 DFAB Cc1cccc(C(=O)NCc2ccc(Cn3cncn3)cc2)c1C 32868947 RYZNXWQAVWVQJG-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB Cc1cc(-c2ccccc2)n2[nH]c(=O)c(Br)c2n1 27948 MDPCXRDMHSTEAZ-UHFFFAOYSA-N 304.147 2.761 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1O 193689 NWXOFLKNPKHRLV-UHFFFAOYSA-N 300.339 2.949 0 40 DFAB CC(C)c1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 249621 XCTZPUNSENCKSR-UHFFFAOYSA-N 301.368 2.601 0 40 DFAB COC(=O)c1ccc2c(=O)n(CCC(C)C)c(=S)[nH]c2c1 425233 CXEWFFVLIMXJTD-UHFFFAOYSA-N 306.387 2.892 0 40 DFAB CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=S 488941 JJOYTUWEDAYUHH-HZMBPMFUSA-N 313.426 2.993 0 40 DFAB biogenic CCOc1ccc(C(=O)NN2C(=S)NC(C)(C)C=C2C)cc1 1249136 HNHCOEPXGLVSQY-UHFFFAOYSA-N 319.430 2.603 0 40 DFAB CCOc1ccc2[nH]c3c(NCCCOC)ncnc3c2c1 2205354 RLJBNHSUNJRJMO-UHFFFAOYSA-N 300.362 2.958 0 40 DFAB CC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C 2595576 QLCLFZDTSVCPOC-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CN(C)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 2634691 DIDMEDICLXYRFQ-UHFFFAOYSA-N 311.337 2.556 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)c1c[nH]c2ccccc12 3318269 GPYIJUKOWUHZIA-UHFFFAOYSA-N 303.321 2.761 0 40 DFAB CCCCNC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3320060 QTECWRMWARDHHT-UHFFFAOYSA-N 305.708 2.691 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 3386976 PIYVEVQSKFISSF-UHFFFAOYSA-N 317.728 2.948 0 40 DFAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3412508 FTDXWJIRCKFEEC-MRXNPFEDSA-N 308.381 2.982 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 4256662 ZSLFXWADYIQPDL-BLTAXRJOSA-N 324.163 2.826 0 40 DFAB O=C(O)COCC(=O)Nc1ccc(Oc2ccccc2)cc1 4616853 NIYZZSVYWHJPHC-UHFFFAOYSA-N 301.298 2.519 0 40 DFAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 5133549 JMWYFDPUINZVNW-UHFFFAOYSA-N 323.345 2.644 0 40 DFAB Cc1ccc(-n2ncc3c2ncn2nc([C@H]4CCCO4)nc32)cc1 5243801 OFPXAOHOKVYQIK-CQSZACIVSA-N 320.356 2.623 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1nc2ccccc2s1 5292777 FUYKJTXOPAPFCP-UHFFFAOYSA-N 301.371 2.661 0 40 DFAB CCc1cc2oc(=O)cc(C)c2cc1OCC(=O)NC(C)(C)C 6555739 QMNDNXQSSSULOY-UHFFFAOYSA-N 317.385 2.957 0 40 DFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1n[nH]c(=S)n1C 6564198 CILAGDYEOWVARC-NSHDSACASA-N 308.382 2.744 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)cc1 7070601 RATPBNLSXXANDM-UHFFFAOYSA-N 300.333 2.893 0 40 DFAB Cc1nnc(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)o1 7603841 HZEIWSNCSLOBLD-IZZDOVSWSA-N 321.314 2.812 0 40 DFAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCOCC1 8708846 LNMQIYNIDLSMJE-UHFFFAOYSA-N 312.369 2.668 0 40 DFAB CC(C)NC(=O)CC1(C(=O)NCc2ccccc2F)CCCC1 8940527 OIVFNBVLPYLPCB-UHFFFAOYSA-N 320.408 2.917 0 40 DFAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)c1ccc[nH]1 9335741 KWOMRGKSUCMODK-UHFFFAOYSA-N 302.334 2.914 0 40 DFAB CCc1nnc(COC(=O)c2c(NC(C)=O)sc(C)c2C)o1 9450616 OQJLNNNHWLTEOG-UHFFFAOYSA-N 323.374 2.626 0 40 DFAB CCOc1ccccc1/C=C/C(=O)NCc1ccc(OC)nc1 10991189 HBDWAJMYIXBABQ-MDZDMXLPSA-N 312.369 2.819 0 40 DFAB NC(=O)N[C@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1 11332501 MXUSSUITUSSFMG-CQSZACIVSA-N 301.321 2.564 0 40 DFAB COc1ccccc1OCC(=O)Nc1onc2c1CCCC2 11914317 WKCHPFJXGJTSPR-UHFFFAOYSA-N 302.330 2.580 0 40 DFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)C1CCCC1)C2=O 14163789 QYQYZFFNZGQXMX-ACJLOTCBSA-N 321.465 2.955 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)[nH]c2ccccc12 16046278 JZQMCJKWVHCAAJ-UHFFFAOYSA-N 308.293 2.509 0 40 DFAB NNc1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2nc1NN 16431093 FVPBFSYOHMOGLF-UHFFFAOYSA-N 324.432 2.669 0 40 DFAB Cc1cnc2[nH]c(C(C)C)c(CN3CCC[C@@H](C(N)=O)C3)c2c1 19124934 HSGCVYKUFCMCET-CYBMUJFWSA-N 314.433 2.692 0 40 DFAB Cc1ncc(-c2ccccn2)c(CCNC(=O)C2CCCC2)n1 19286931 FMHOBOWZESJITE-UHFFFAOYSA-N 310.401 2.696 0 40 DFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccnc1 19934220 BTIPZIUJVYCMRK-MRXNPFEDSA-N 300.358 2.564 0 40 DFAB COC(=O)c1cnc(Nc2nc(C)c3cc(C)ccc3n2)nc1C 20634154 VBSBFSGZOCORHJ-UHFFFAOYSA-N 323.356 2.875 0 40 DFAB COc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1OC 22614979 LGZACNUIZUPYKT-FBMGVBCBSA-N 300.358 2.503 0 40 DFAB CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 23993795 USOLDTWXJACDAP-GFCCVEGCSA-N 313.419 2.561 0 40 DFAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2ccnc2)nc1 25009634 YCIMSGIDYKGMRD-UHFFFAOYSA-N 319.324 2.590 0 40 DFAB O=C(OC[C@H]1CCCO1)c1ccc(NC(=O)c2ccco2)cc1 25052915 BABUBFGTYJOZJC-CQSZACIVSA-N 315.325 2.868 0 40 DFAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccccc2F)cc1 25688800 WWQNCMHHNASUGU-GFCCVEGCSA-N 314.360 2.953 0 40 DFAB COc1ccc(-c2nsc(NC(=O)C(C)C)n2)cc1OC 27664644 AEBOQNSYOXCPOM-UHFFFAOYSA-N 307.375 2.817 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 29567305 QILJNRLUTGCFQY-NSHDSACASA-N 316.401 2.639 0 40 DFAB CC(C)(C)c1noc(CCC(=O)NCCc2ccccc2)n1 31206029 ZKWKVEFSOXREAI-UHFFFAOYSA-N 301.390 2.659 0 40 DFAB O=C(Cn1cccn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 32491271 PJJLBZYENGVKKB-UHFFFAOYSA-N 320.324 2.924 0 40 DFAB Fc1ccccc1CN(CCCn1ccnc1)C[C@H]1CCOC1 36740361 WGSJTHOLSRVNMB-MRXNPFEDSA-N 317.408 2.951 0 40 DFAB CSCCNC(=O)c1cc(Br)cn1C(C)C 37843931 BYXDAZMZGQHIRX-UHFFFAOYSA-N 305.241 2.924 0 40 DFAB in-vitro CC(C)c1noc([C@@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1 40511411 YKEDARDBMSKCGI-SNVBAGLBSA-N 324.406 2.738 0 40 DFAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1nnc2ccccn12 48374338 VEYYYKLCNOZBBY-LBPRGKRZSA-N 317.352 2.769 0 40 DFAB CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 48496358 LRFJJCHRRNPLBG-UHFFFAOYSA-N 308.687 2.824 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc[n+]2[O-])C2CC2)o1 52775421 AMLNWEGSBDMAAR-IUODEOHRSA-N 312.369 2.841 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2ccccc2OC(C)C)no1 53350765 NWCLRLWWSHVDPG-UHFFFAOYSA-N 317.389 2.841 0 40 DFAB COc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 54363736 CEEVWOFFTYFMDR-UHFFFAOYSA-N 304.350 2.505 0 40 DFAB O=C1CCCc2[nH]c(=O)c(C(=O)OC/C=C/c3ccccc3)cc21 55238451 RNPFZHJXHVNTFT-VMPITWQZSA-N 323.348 2.764 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1OC(C)C 55590355 WLAKHQNHGUAXSU-UHFFFAOYSA-N 310.375 2.879 0 40 DFAB CC(C)NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 57774588 ADBUYYQJLSYWTK-UHFFFAOYSA-N 309.373 2.628 0 40 DFAB Cc1cccc(C)c1Oc1ccccc1NCC(=O)NC(N)=O 58163223 KOFBPTJRMQSMQJ-UHFFFAOYSA-N 313.357 2.703 0 40 DFAB CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C(C)C)C1 58196157 OPTZYODUXNDKHC-HNNXBMFYSA-N 304.434 2.936 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)CCn2ccc3ccccc32)C1 58313498 LWYIBOKYNSARNA-INIZCTEOSA-N 313.445 2.878 0 40 DFAB Cc1ccc2c(CCNC[C@@H]3CNc4ccnn4C3)c[nH]c2c1 58328960 HVIAVLDSOKEYJJ-CQSZACIVSA-N 309.417 2.547 0 40 DFAB COc1ccccc1CS(=O)(=O)[C@H](C)c1nc(C(C)C)no1 58622973 CKRDEUKKZNWEFC-LLVKDONJSA-N 324.402 2.878 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C[C@H]1CCCO1 58964985 GRLKDSQJLGZKKS-OAHLLOKOSA-N 314.385 2.830 0 40 DFAB Cc1c(Cl)cccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 59842813 MPUTXWCAYXDCMU-JLUCKKNBSA-N 316.788 2.825 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc(C(C)C)ccc2O)c(=O)[nH]1 60330234 NRYGVZRLBMBURO-UHFFFAOYSA-N 314.385 2.751 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ncccc3O)cc2)n1 61620047 GZZLETQQCCVUBS-UHFFFAOYSA-N 322.368 2.901 0 40 DFAB Cc1cccc2c1C(=O)N[C@@H](c1cn(C)nc1-c1cccnc1)N2 63495836 CKJDDGGMVNUYDC-KRWDZBQOSA-N 319.368 2.645 0 40 DFAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)c1 68270596 GKEASLRDUWYDCL-MRXNPFEDSA-N 306.406 2.794 0 40 DFAB CCCN(CC)c1ccc(C(=O)N[C@H](C)c2nncn2C)cc1 69350695 YJTVNZCZISWEDO-CYBMUJFWSA-N 315.421 2.542 0 40 DFAB COc1ccc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1 69387772 WUDYFBIRSFRFMP-UHFFFAOYSA-N 314.385 2.988 0 40 DFAB Cc1csc(-c2ccc(C(=O)NC[C@H](C)N(C)C)cc2)n1 69416875 WJVQDIKUUACZAC-LBPRGKRZSA-N 303.431 2.798 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(-n3cncn3)cc2)c1 69489302 ZFLXAFIZANLJSK-GJZGRUSLSA-N 310.405 2.512 0 40 DFAB CCc1nc(COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 69618956 OVKOQIFJQXBXLY-LLVKDONJSA-N 322.430 2.540 0 40 DFAB O=C(Nc1cccc2cccnc12)N(CCO)Cc1cccnc1 69622624 NZOJTQCCNZFOHP-UHFFFAOYSA-N 322.368 2.656 0 40 DFAB COc1nc(C)ccc1CNC(=O)NCc1cc(F)ccc1F 69623758 JDAVXXPMTDXUMD-UHFFFAOYSA-N 321.327 2.676 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1 69665651 MZYZDSWCGORJHD-AWEZNQCLSA-N 321.377 2.898 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2cscn2)C1 69922153 FGCZZJOUHPLNIQ-AWEZNQCLSA-N 318.446 2.698 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)c1 70013674 ZCEYJBLWBHRHGM-SWLSCSKDSA-N 316.405 2.591 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)c1 70013793 PCANBFCZDNHWRX-SJLPKXTDSA-N 309.413 2.913 0 40 DFAB C[C@@H](NCc1cccc(O)c1)c1ccc(NS(C)(=O)=O)cc1 71850026 QKQDTTHGTRUTAO-GFCCVEGCSA-N 320.414 2.615 0 40 DFAB Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c(=O)[nH]1 71899807 IUKXOVUQMQYHBN-UHFFFAOYSA-N 302.761 2.756 0 40 DFAB O=C(Cc1cn2ccsc2n1)Nc1cc(C2CCCC2)[nH]n1 75142345 WQXLPZSHRMOPGH-UHFFFAOYSA-N 315.402 2.958 0 40 DFAB O=C(CCc1cc(Br)cs1)Nc1nncs1 78796614 SFHWGBKPAUYTIL-UHFFFAOYSA-N 318.221 2.933 0 40 DFAB Cc1cc(NC(=O)NC[C@H]2CCC[C@@H]2O)ccc1N1CCCC1 78936596 ZWZDDZQELDEXEF-PBHICJAKSA-N 317.433 2.878 0 40 DFAB Cc1cc(C)n(-c2cncc(N(C)Cc3csc(C)n3)n2)n1 78979733 FHUYTWUFYCETJK-UHFFFAOYSA-N 314.418 2.680 0 40 DFAB CCN(C(=O)c1ccc2c(c1)nc(C)n2C)c1ccc(OC)nc1 79338357 OGPNSBCNWVOJAY-UHFFFAOYSA-N 324.384 2.952 0 40 DFAB CCc1cnc(CN(C)C(=O)NCc2cnc(C)s2)s1 83200808 QQHYTQUMMOTFSE-UHFFFAOYSA-N 310.448 2.812 0 40 DFAB CCn1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 83843395 VTQQWDOGNGGESR-CQSZACIVSA-N 318.808 2.565 0 40 DFAB CCC1(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CCC1 84382133 MYDAYUVUTGWROF-UHFFFAOYSA-N 310.438 2.940 0 40 DFAB c1cnc2c(CNCCCOC[C@H]3CCCO3)cccc2c1 84493880 UXGGRQLSBGJNBE-QGZVFWFLSA-N 300.402 2.910 0 40 DFAB CCO[C@@H](C)c1noc(CN2CCC[C@H](c3cc(C)n[nH]3)C2)n1 84800614 MXFBDYJPLDIDJV-STQMWFEESA-N 319.409 2.578 0 40 DFAB COC[C@H]1CCCN(c2cncc(OCc3ccccc3)n2)C1 86183817 SNNBUFDTHDTKHS-INIZCTEOSA-N 313.401 2.918 0 40 DFAB OCC1CCN(Cc2cccc(NCc3cscn3)c2)CC1 86258257 NXFAAUGFCBRAFL-UHFFFAOYSA-N 317.458 2.960 0 40 DFAB COC(=O)[C@@H](OC(=O)CCc1ccc(F)cc1)c1cccnc1 89396359 RRVJEUXQWFFJCB-INIZCTEOSA-N 317.316 2.611 0 40 DFAB CC(C)(C)c1n[nH]cc1CNc1cnn(C[C@H]2CCCO2)c1 89694610 WHOBZVMATDYWBV-CQSZACIVSA-N 303.410 2.695 0 40 DFAB C[C@@H](CCNC(=O)NCC1CCC(C)(C)CC1)[S@@](C)=O 89895488 PCSQADGPJCARAI-YUNKPMOVSA-N 302.484 2.659 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1ncnc2nc(N)ccc12 90112846 FOKMTMWHWKEZIY-STQMWFEESA-N 315.421 2.637 0 40 DFAB COC(=O)c1cc(CN2CCC[C@H](c3nc(C)cs3)C2)c[nH]1 92788286 QNXLSYXJWTZSNZ-ZDUSSCGKSA-N 319.430 2.946 0 40 DFAB CC(C)(C)OC(=O)N1Cc2nn(-c3ccccc3)c(N)c2C1 95083458 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CN(C)CCCNC(=O)c1ccc(Oc2cccc(F)c2)o1 96183918 XGFMEJDPXLFKCV-UHFFFAOYSA-N 306.337 2.893 0 40 DFAB Cc1cc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)no1 96192521 AVGBJDMFFUCSHR-OAHLLOKOSA-N 303.293 2.644 0 40 DFAB COc1ccc([C@H]2[C@@H](COC(=O)c3ccon3)CCN2C)cc1 96420387 OPLHBQDOKFOVNN-CJNGLKHVSA-N 316.357 2.533 0 40 DFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc(Cl)cn1 96431624 VLCTZRVQZWDUAR-UHFFFAOYSA-N 306.753 2.604 0 40 DFAB C[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1N1CCCCC1 96496668 ALZWOWHSNNCPSY-ZBFHGGJFSA-N 302.418 2.718 0 40 DFAB COC(=O)C1(NC(=O)Nc2ccccc2CC(F)(F)F)CC1 96502420 DOBZTVSTFSFGNP-UHFFFAOYSA-N 316.279 2.619 0 40 DFAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2n1 96998790 RQGYXMROMUGOTG-CZUORRHYSA-N 320.396 2.702 0 40 DFAB C[C@H](CNC(=O)N[C@H]1CCc2c(O)cccc21)c1nccs1 97114650 WGKDMWSNBICQSJ-MFKMUULPSA-N 317.414 2.939 0 40 DFAB Cc1n[nH]cc1CNCc1c(C)nn(Cc2ccccc2)c1C 97139779 UHDFTBBSLHSYFS-UHFFFAOYSA-N 309.417 2.870 0 40 DFAB Cc1nc2cc([C@H]3C=CCN3C(=O)C(C)(C)C)nn2c(O)c1C 100208649 SNYOOOPBCSATPD-CYBMUJFWSA-N 314.389 2.537 0 40 DFAB Cc1cccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c12 101022392 LYDQPVWORBOFIR-NXVVXOECSA-N 318.423 2.838 0 40 DFAB COC(=O)C1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 108349501 MFFAYIWUSTULPH-APSKQVOWSA-N 310.438 2.842 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2C)cc1 181156056 YZVCPERTFQVZLQ-UHFFFAOYSA-N 320.414 2.870 0 40 DFAB COc1cc(OC)cc(OCC(=O)NC(C(C)C)C(C)C)c1 218887843 NWHOMNVWYLKKQT-UHFFFAOYSA-N 309.406 2.879 0 40 DFAB COc1cc(C)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225962164 NZJVQVGRCBUALD-LLVKDONJSA-N 302.403 2.841 0 40 DFAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H]1COc2ccccc21 248173456 UGMVJWBZWSYURU-XOKHGSTOSA-N 311.381 2.791 0 40 DFAB Cn1cc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cn1 252485689 HBSDAQYYMLDCJD-UHFFFAOYSA-N 313.401 2.915 0 40 DFAB Cc1ccccc1OCC(=O)N1CCC[C@]2(C)NCCC[C@@H]12 257293418 QPJYJCOBSFSGAS-AEFFLSMTSA-N 302.418 2.507 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccncn1 257322439 WFZOOQZVNSHMFW-SFHVURJKSA-N 307.397 2.872 0 40 DFAB c1ccc([C@H]2CCCN2c2nccc(N[C@H]3CCCOC3)n2)cc1 333196377 XIIBLPIUJLACLO-DLBZAZTESA-N 324.428 3.409 0 40 DFAB O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408669753 RYDBHMRFTKAERM-FAWFFBBMSA-N 307.349 2.976 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H](Cn2nc3ccccc3n2)C1 521398886 XGYRMNKJSSHBRF-CQSZACIVSA-N 306.369 2.594 0 40 DFAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccncn2)no1 548308857 QMXJHSIAKAVPCW-ZDUSSCGKSA-N 315.377 2.741 0 40 DFAB CCc1cc(N2CC[C@]3(CCCNC3)C2)nc(-c2ccncc2)n1 576136144 UCNDMNSMOYIPGV-IBGZPJMESA-N 323.444 2.681 0 40 DFAB Cc1ccc2oc(C(=O)N3CC[C@]4(CCCO4)C(=O)C3)cc2c1 585288877 KPKUZOJDKFMNQG-GOSISDBHSA-N 313.353 2.705 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 540666 XPJJIRYVQMQRBO-HNNXBMFYSA-N 318.417 2.745 0 40 DFAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2ccccc21 565222 WRHCDTRZQZKOAF-SFHVURJKSA-N 313.353 2.805 0 40 DFAB CC(C)[C@@H](CCO)NC(=O)Nc1ccc(-c2csnn2)cc1 76069715 NXVYIVYVDKDRQQ-CYBMUJFWSA-N 320.418 2.734 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(F)cc12 1366332 LKCGCTGAOJONRE-SSDOTTSWSA-N 320.349 2.689 0 40 DFAB Cn1cc(CCC(=O)NCCc2nccs2)c2ccccc21 79494642 WXAOHOCPAVGRPV-UHFFFAOYSA-N 313.426 2.926 0 40 DFAB COc1ccc2cc(CNCc3ccc(F)cc3)c(=O)[nH]c2c1 4132779 NBAILVYMPYCTBG-UHFFFAOYSA-N 312.344 2.966 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2nc3ccccc3s2)CC1 6891693 YOKJNZXINRSWGL-UHFFFAOYSA-N 318.398 2.712 0 40 DFAB CCC[C@H](C)NS(=O)(=O)c1ccc(OCC)c(OCC)c1 8477701 RPJWXCJRYOIQLR-LBPRGKRZSA-N 315.435 2.951 0 40 DFAB CCC(CC)NC(=O)NCc1ccnc(-n2ccnc2C)c1 42955311 NNZOJRVDYXFLPQ-UHFFFAOYSA-N 301.394 2.564 0 40 DFAB CN(C)[C@H](CNC(=O)NCc1ccccc1)c1cccs1 24566655 GGXYJVAEDJYVRI-CQSZACIVSA-N 303.431 2.850 0 40 DFAB CCCn1cc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O 106865143 HKTMEQFMYDUUOL-OBJOEFQTSA-N 305.447 2.733 0 40 DFAB COc1cc(OC)c([C@@H]2NC(=O)c3ccccc3N2)cc1OC 9944345 OBGNCXMHWHEOGP-INIZCTEOSA-N 314.341 2.567 0 40 DFAB c1ccc2c(c1)ncn2CCCNCc1ccc2c(c1)OCCO2 12541179 VEJTZVFXRBLKOX-UHFFFAOYSA-N 323.396 2.987 0 40 DFAB CC(C)=CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69813962 KMVQFFNQXGTLHH-UHFFFAOYSA-N 308.378 2.892 0 40 DFAB CN(C)C(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21524614 SMSXLPFERFCJGN-UHFFFAOYSA-N 323.352 2.871 0 40 DFAB Cc1sc2ncn(C[C@H](O)c3ccc(F)cc3)c(=O)c2c1C 12648145 VFZYCOAJEVMSFY-ZDUSSCGKSA-N 318.373 2.948 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)C[C@H](C)O1 48152216 OPQVLSFGKFETPS-STQMWFEESA-N 300.362 2.513 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOCC1(C)C 58183929 MBXPVGDROCSSPM-UHFFFAOYSA-N 314.385 2.830 0 40 DFAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cn1)OC2=O 100260951 YQRQKJAIAVDBCC-HUUCEWRRSA-N 308.765 2.795 0 40 DFAB Cc1noc(C)c1NC(=O)NCCOc1ccc(F)c(F)c1 71883761 ADHTWZRBPDYJIL-UHFFFAOYSA-N 311.288 2.770 0 40 DFAB C[C@@]1(C(=O)NCCOc2cccc(F)c2)CC1(Cl)Cl 27723176 QWMGYMFRDMMYBM-LBPRGKRZSA-N 306.164 2.905 0 40 DFAB CCCc1nc(C)c(C(=O)NC2(C(=O)O)CCCCC2)s1 58365119 SGUKEAOOFBZZFG-UHFFFAOYSA-N 310.419 2.921 0 40 DFAB CC(C)(C)c1noc(COC(=O)Cc2n[nH]c3ccccc23)n1 58318341 ZEOGTBLXWKNTLG-UHFFFAOYSA-N 314.345 2.529 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1cc2c(nc3sccn32)s1 58416066 JUZNWVFLGGZSOK-SNVBAGLBSA-N 323.399 2.799 0 40 DFAB NC(=O)[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 10772864 AWQOOFUFXZGWQT-ZDUSSCGKSA-N 314.414 2.809 0 40 DFAB Cc1n[nH]cc1CNC(=O)c1csc(-c2cccs2)n1 37990474 HBODVVQZFNRLIH-UHFFFAOYSA-N 304.400 2.833 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(F)cc2F)n1 48374828 IFQXYGIESWAESC-JTQLQIEISA-N 307.344 2.844 0 40 DFAB C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 60379281 BKDVOPZDTSUWOU-CQSZACIVSA-N 321.789 2.764 0 40 DFAB NCCc1nnc(SCc2ccc(Br)cc2)o1 11903926 NMYGZVXFSCYUGM-UHFFFAOYSA-N 314.208 2.626 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)sc1C 12860972 NDJGFOSSGNFGAK-GFCCVEGCSA-N 303.383 2.935 0 40 DFAB COC(=O)c1cnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 12927935 YWYVSLCUPNUCNK-SNVBAGLBSA-N 320.370 2.644 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)cc1 12995537 CZLYAVMBIJFSKO-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 3607325 HYCNDUOQNXEOEA-UHFFFAOYSA-N 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GWCZPZPKRUSQDL-UHFFFAOYSA-N 323.458 2.916 0 40 DFAB CNC(=O)[C@H]1CN(Cc2ccc(Cl)s2)c2ccccc2O1 48236418 SICZLORSOBDYSH-CYBMUJFWSA-N 322.817 2.915 0 40 DFAB Cc1ccccc1-c1noc(Cn2ncc3ccccc3c2=O)n1 48324552 WIXQUFWSLQUUGF-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB Cc1nccc(CNC(=O)NCc2ccccc2OC(C)C)n1 50122419 QYFCAVLCRKGECQ-UHFFFAOYSA-N 314.389 2.572 0 40 DFAB COc1ccc(OCCn2nc(-c3ccccc3)ccc2=O)cc1 54658691 FDJWVWMMXHXCJT-UHFFFAOYSA-N 322.364 2.998 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCCC1 55073964 HFSVWELECKJGFN-UHFFFAOYSA-N 302.403 2.923 0 40 DFAB Cc1csc(N2CCCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 55759486 JNIDSJRVNRCKEX-UHFFFAOYSA-N 324.837 2.786 0 40 DFAB CCc1cc(=O)oc2c3c(ccc12)OCN(C[C@@H]1CCCO1)C3 57140192 SRWPKWVHFKGFFG-ZDUSSCGKSA-N 315.369 2.686 0 40 DFAB CC[C@H]1CCc2sc(C(=O)N(C)S(=O)(=O)CC)cc2C1 58161054 JWFDQBNUXWDMFO-JTQLQIEISA-N 315.460 2.685 0 40 DFAB O=C(NCc1ccnc(OC2CCCCC2)c1)[C@H]1CCCO1 58227475 OMTLETMIDHAJLQ-OAHLLOKOSA-N 304.390 2.588 0 40 DFAB C[C@@H](OC[C@@H](O)CNC(=O)C1CCCCC1)c1ccccc1 58268282 CMQMRYSBKSUURN-PBHICJAKSA-N 305.418 2.822 0 40 DFAB CC(C)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 58344779 RDMGUYRLXSJOPR-HNNXBMFYSA-N 304.390 2.560 0 40 DFAB CCCCNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 58432401 HGFUYIFLLNCXOC-SECBINFHSA-N 310.448 2.773 0 40 DFAB Cc1cc(CN2CCN(Cc3csc(C(C)C)n3)CC2)no1 58563145 XTTBXDGFPDJPTP-UHFFFAOYSA-N 320.462 2.881 0 40 DFAB CCO[C@@H](C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 58953369 UGJSVFJUKSXTRG-ZDUSSCGKSA-N 324.852 2.846 0 40 DFAB Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1 60362795 IHVFZNRJCYINHT-UHFFFAOYSA-N 317.776 2.754 0 40 DFAB CCCCNC(=O)COC(=O)c1ccccc1Br 61578977 WQVVBZOSFOVGCA-UHFFFAOYSA-N 314.179 2.522 0 40 DFAB CN(CCc1ccccn1)C(=O)[C@H]1CCCN1Cc1ccccc1 68014599 QOOYLPDRRAZFBI-LJQANCHMSA-N 323.440 2.747 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)CNCC2)c1cccc(Cl)c1 69052797 UJHQMTJHYRLYMN-UHFFFAOYSA-N 322.817 2.787 0 40 DFAB c1ccc(-c2coc(CNCCc3nnc4n3CCC4)c2)cc1 69161085 ZBKCRMAWVQAHRN-UHFFFAOYSA-N 308.385 2.817 0 40 DFAB CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 69323749 BROCVFMPIFOQBX-SJORKVTESA-N 324.428 2.808 0 40 DFAB CCS[C@@H]1CCCCN(S(=O)(=O)c2c(C)noc2C)C1 69703379 WSJULKUZDOIJKT-GFCCVEGCSA-N 318.464 2.588 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc2ccccc2o1 70638238 RSJKWGIPYWICAS-UHFFFAOYSA-N 306.321 2.971 0 40 DFAB Cc1cc(N2CCO[C@@H](c3ccccc3Cl)C2)nc(N)n1 71800031 NQGMYWDRSJEJRJ-CYBMUJFWSA-N 304.781 2.599 0 40 DFAB COCCN(Cc1ccccc1)C(=O)Nn1cnc2ccccc21 71818680 ZIQDMHIBAHINON-UHFFFAOYSA-N 324.384 2.848 0 40 DFAB CC1(CNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCCC1 71889162 ACENXDRXXIKOLX-GFCCVEGCSA-N 321.387 2.750 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1cccs1 72239768 YIGDPDJYGIEYQF-HNNXBMFYSA-N 314.410 2.556 0 40 DFAB COc1ccc(CCC(=O)NC[C@H](O)c2cccs2)cc1 74558733 JHQHGQUOXCOKJL-AWEZNQCLSA-N 305.399 2.539 0 40 DFAB O=C(NC[C@@H]1CCCO1)N1CC[C@H](Cc2ccc(F)cc2)C1 77538706 RMORHVHIPMEWPC-ZBFHGGJFSA-N 306.381 2.579 0 40 DFAB CCN(c1ccc(C(=O)NCc2nccn2C)cc1)C(C)C 78488627 WDCHDFKNRIGDJU-UHFFFAOYSA-N 300.406 2.585 0 40 DFAB CC(C)c1noc(CCNC(=O)c2ccc(O)c(Cl)c2)n1 78776155 VZEHQIPASXJAQT-UHFFFAOYSA-N 309.753 2.525 0 40 DFAB CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)cs1 78925594 OITSINRUWYPIDL-MWLCHTKSSA-N 321.450 2.869 0 40 DFAB CCc1cc(C(=O)Nc2c(OC)ncnc2N(C)C)sc1C 79061328 FEZFTRKODGSDQE-UHFFFAOYSA-N 320.418 2.736 0 40 DFAB CC(C)(C)c1nc(CNC(=O)NCCn2cccc2)cs1 84435886 GNPFTJDJYWWALW-UHFFFAOYSA-N 306.435 2.742 0 40 DFAB CCc1nc(CCN[C@@H]2CCN(CC(F)(F)F)C2)sc1C 88698487 BBHQJCYQIUBNHW-LLVKDONJSA-N 321.412 2.783 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N(C)C)cc2)o1 89652818 AMPLUFMHHIWDDK-INIZCTEOSA-N 314.385 2.868 0 40 DFAB Cc1nsc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 89721346 JJJJXVHLTBCRAJ-NEPJUHHUSA-N 324.450 2.825 0 40 DFAB CC1(C)CCCN(C(=O)CCCS(C)(=O)=O)c2ccccc21 89849830 KWPBYNIKHTYHKV-UHFFFAOYSA-N 323.458 2.916 0 40 DFAB CC(C)(C)c1nc(CCNS(=O)(=O)CC2CCC2)cs1 93021690 SGEDURAISBCUCE-UHFFFAOYSA-N 316.492 2.703 0 40 DFAB Cc1ccnc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 95090532 GOZSDLBNDMOGQC-CYBMUJFWSA-N 306.410 2.669 0 40 DFAB Cc1cc(C)c(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)[nH]1 95415056 MBTKODVNPBQIID-INIZCTEOSA-N 313.401 2.848 0 40 DFAB CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 95427144 FESOYRATLQSURL-HZPDHXFCSA-N 323.481 2.604 0 40 DFAB CCSCCN(c1ccc(C(C)=O)cc1)S(=O)(=O)CC 95454314 OGMKINJNLWYPLQ-UHFFFAOYSA-N 315.460 2.798 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)[C@@H]2CCCOC2)cs1 95468265 VEVHXPZYSBKLCH-LLVKDONJSA-N 303.449 2.534 0 40 DFAB CC(C)Oc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)c1 95974432 MNRVKZGOOAEHCS-WBVHZDCISA-N 320.433 2.776 0 40 DFAB CN(C(=O)Nc1nc(-c2cccnc2)ns1)[C@@H]1CCSC1 95975330 WISOARDZLAPBNE-SNVBAGLBSA-N 321.431 2.569 0 40 DFAB Cc1cccc(S(=O)(=O)NCC(C)(C)C[C@@H](C)O)c1Cl 96010023 LMCCAJXQSRMUFB-LLVKDONJSA-N 319.854 2.724 0 40 DFAB O=C(NCc1ccccn1)c1cc(-c2cc[nH]n2)n2ccccc12 96154681 QYKCNTUXCYCBHM-UHFFFAOYSA-N 317.352 2.654 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCC(C)CC2)C1 96193105 ANFBFUWIFCSUHC-GOSISDBHSA-N 316.401 2.837 0 40 DFAB CCOC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)N1C 96207001 ZFDBFUZZEGRUJV-QGZVFWFLSA-N 303.450 2.547 0 40 DFAB Cc1nnc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)s1 96218090 TYNBABDDMHBKJY-CQSZACIVSA-N 323.462 2.649 0 40 DFAB CC[C@@H](C(=O)OC)N(C(=O)Cc1cccnc1)c1ccccc1 96409918 BAXDADXRZRWGOM-INIZCTEOSA-N 312.369 2.609 0 40 DFAB Cn1ncc(C(=O)OCCOCc2ccccc2)c1C(F)F 96420393 AIRJHUQEDJVDOJ-UHFFFAOYSA-N 310.300 2.731 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCOc2ccccc21 96445859 JSNBMUGAIMDUCG-CJNGLKHVSA-N 315.344 2.542 0 40 DFAB CC[C@H](CNC(=O)c1cn(C)nc1C)Oc1ccccc1Cl 96451828 OSBNHXAKWLDWNZ-GFCCVEGCSA-N 321.808 2.969 0 40 DFAB CCOC(=O)c1sc(CNC(=O)c2sccc2C)nc1C 96455980 UWGBMYRSKMRSCA-UHFFFAOYSA-N 324.427 2.928 0 40 DFAB CC[C@@](Br)([C@@H](O)c1ccccc1)S(=O)(=O)CC 96521604 NXTXLHDRRCMCRW-RYUDHWBXSA-N 321.236 2.656 0 40 DFAB O=C(Nc1ccccc1CCC(F)(F)F)N1CC[C@H](O)C1 97085225 UHYJQWYQVHLODU-NSHDSACASA-N 302.296 2.780 0 40 DFAB Cc1csc([C@H](C)CNC(=O)N[C@@H]2COc3ccccc32)n1 97109953 NYXPBDVZAUGZHQ-ZWNOBZJWSA-N 317.414 2.988 0 40 DFAB c1ccc(-c2nc(NCc3ccc(-n4cncn4)cc3)no2)cc1 97163259 KNKOZSMIEZZKTR-UHFFFAOYSA-N 318.340 2.929 0 40 DFAB Cn1cc([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 100753928 FNCNXRUVNRXCSM-OAHLLOKOSA-N 320.348 2.931 0 40 DFAB biogenic COc1cc(C(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100989297 WONSGKWAEWIBEJ-YRGRVCCFSA-N 319.401 2.878 0 40 DFAB Cc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)o1 107731370 HNFKQICETYNKQX-WBVHZDCISA-N 301.390 2.781 0 40 DFAB CC(=O)c1ccc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 119869948 XAIYSONACZZWGE-HNNXBMFYSA-N 318.417 2.763 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 222982513 AOFXSIPNBZLWGK-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB CNC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224261293 NPFPUMCWPPJRJG-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB CCOC(=O)C1(c2ccc(NC(=O)c3coc(C)n3)cc2)CC1 225890662 LOYNACWACHQTPP-UHFFFAOYSA-N 314.341 2.830 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C[C@H](C)O1 226301569 OHDUQQHKKHPVHK-RYUDHWBXSA-N 300.358 2.778 0 40 DFAB CN(C)CC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 248140259 SZALJQATZWAUPC-QGZVFWFLSA-N 302.397 2.531 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)no1 257234283 GSWHCACZADHEAT-ZDUSSCGKSA-N 316.405 2.689 0 40 DFAB Cn1ccc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)n1 257234680 GUQKQRMKYGDHSH-INIZCTEOSA-N 324.428 2.593 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@H](c3ccncc3)C2)cc1F 257269101 MOOQDKLQIMXNEH-INIZCTEOSA-N 300.333 2.743 0 40 DFAB Cc1cc(-c2cncc([C@@H]3CCCN3C(=O)C(C)(C)C)n2)[nH]n1 257289423 PYNNRFLXTPJFOM-HNNXBMFYSA-N 313.405 2.885 0 40 DFAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 408708639 RVHHXQLUVMMQBC-WBVHZDCISA-N 322.408 2.959 0 40 DFAB CC(C)COC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 409001402 IEGWAGINMIUOPT-INIZCTEOSA-N 318.417 2.602 0 40 DFAB O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1Sc1nc(O)cc(C2CC2)n1 522117920 VQNOXMNWIVPBPS-LOWVWBTDSA-N 319.430 2.599 0 40 DFAB O=C(c1ccc2n[nH]cc2c1)N1CC[C@@H](Nc2ccccc2)C1 530591250 CUPCOJJPUNUBLT-MRXNPFEDSA-N 306.369 2.890 0 40 DFAB Cc1ccc(C(=O)NCCOc2ccc(C(=O)O)cc2)s1 538584364 UDYWQXLWHDZIAR-UHFFFAOYSA-N 305.355 2.564 0 40 DFAB c1ccc(-c2nc([C@H]3CCCN3Cc3nncs3)n[nH]2)cc1 1548451805 DQUVSWKFRWLOFT-GFCCVEGCSA-N 312.402 2.660 0 40 DFAB Cc1nsc(N2CCC(COc3ncnc(C)c3C)CC2)n1 1565522525 SESBKCGFPXUHAC-UHFFFAOYSA-N 319.434 2.549 0 40 DFAB Cc1ccc(CCNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 1586118513 GOUNJCYEKAZUEC-UHFFFAOYSA-N 320.396 2.676 0 40 DFAB COCCOc1cc2ccc(Cl)nc2cc1OCCOC 1857793403 YSVMXCXZAIXKOW-UHFFFAOYSA-N 311.765 2.939 0 40 DFAB O=C(Cc1cccc2ccccc12)N1CC(Cn2ccnc2)C1 1889264632 KTNPLYQVMPQXJH-UHFFFAOYSA-N 305.381 2.737 0 40 DFAB C[C@]1(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)CC=CCC1 2055815413 KGWPTINWCHWKOB-MNEFBYGVSA-N 316.445 2.640 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cccc3nsnc23)c1 104072 VZCGVDMHSJOPTM-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB O=C(Cc1csc(-c2ccco2)n1)N1CCO[C@H]2CCC[C@@H]21 53384241 UVILYEFLTRZCCG-STQMWFEESA-N 318.398 2.726 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)c1csc(Br)c1 37505921 YMIXZUNMSGCYIK-MRVPVSSYSA-N 314.208 2.526 0 40 DFAB CC(C)CCC(=O)NCCCC(=O)N1Cc2ccccc2C1 71896809 ZWVWNXRMPUFGJE-UHFFFAOYSA-N 302.418 2.861 0 40 DFAB CC(=O)c1c(C)cc(C)c(CN2CCCN(C(C)=O)CC2)c1C 22982106 MHNXMUOSKONTSZ-UHFFFAOYSA-N 316.445 2.869 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2cccc(Cl)c2)c1=O 6679097 DPPPJJOQXIHKLX-UHFFFAOYSA-N 320.801 2.946 0 40 DFAB CNC(=O)[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 97236359 YFHNQNVPRRCZDY-HNNXBMFYSA-N 300.358 2.782 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(C(C)(C)C)o2)on1 42569563 AHQHLSSFLMGPHD-MRVPVSSYSA-N 310.379 2.783 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)c(C)s1 54486002 NGYSUSIPTIPZLD-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccccn2)c1 54899497 RMYSESIWTCJEEW-MDZDMXLPSA-N 323.396 2.809 0 40 DFAB O=C(Nc1ccccc1F)N1CCN(CC(F)(F)F)CC1 24573838 YXBPQHRYCKZEQI-UHFFFAOYSA-N 305.275 2.538 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 3290398 UDOLHJCSMMGKDG-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB C[C@@H]1C[C@H](NC(=S)NC(=O)c2cccnc2)CC(C)(C)C1 1418822 TZMWOCSBMGREGS-YPMHNXCESA-N 305.447 2.901 0 40 DFAB O=C(c1cccc(NCc2ccccc2F)c1)N1CCOCC1 55861749 IKUCDNSGQYMYDY-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB CC(=O)Nc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 55104091 MISFOPHIJVESRT-UHFFFAOYSA-N 313.357 2.901 0 40 DFAB CS[C@@H](C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 56321363 LHGGKXYOVVALTG-LBPRGKRZSA-N 321.446 2.551 0 40 DFAB Cc1ccsc1CNC(=O)NCc1ccc2c(c1)OCCO2 26177196 QPRKTBHORMYACV-UHFFFAOYSA-N 318.398 2.827 0 40 DFAB CC(C)c1n[nH]c(SCCCn2c(=O)[nH]c3ccccc32)n1 12752912 QFGKQVSJVNLJKI-UHFFFAOYSA-N 317.418 2.754 0 40 DFAB COC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCC1 44865880 OVBMUJBOMAQXKK-UHFFFAOYSA-N 313.353 2.628 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1F 3393152 ABKUEIQFXSAYAR-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)NCCc1cccc(Cl)c1 27955068 ZTPGOEQUTLETLF-GFCCVEGCSA-N 316.854 2.591 0 40 DFAB Cn1nc(C(C)(C)C)cc1NC(=O)CSc1ccccn1 48366067 SACATBCKWOYWLG-UHFFFAOYSA-N 304.419 2.843 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)NC[C@H]1CC=CCC1 60127490 VZROHOJMNYAWNU-ZDUSSCGKSA-N 302.374 2.613 0 40 DFAB COc1ccccc1CNC(=O)CSc1nc(C)cs1 2635996 OBHRHSYCQAXQSJ-UHFFFAOYSA-N 308.428 2.869 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@H](C)C2)c2ccccc2c1=O 2645118 UZSLQKAGSSKOGC-ZDUSSCGKSA-N 313.401 2.679 0 40 DFAB O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCCCCC1 13355728 NIWPIQKBCQCVJQ-UHFFFAOYSA-N 304.781 2.937 0 40 DFAB CC(C)CNC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 4081157 VIHYZBRHVKWQSS-CJNGLKHVSA-N 318.442 2.807 0 40 DFAB biogenic CCn1nc(C)c(NC(=O)Nc2ccc(N(C)C)nc2)c1C 83836720 ZFDADDUQHGNURN-UHFFFAOYSA-N 302.382 2.625 0 40 DFAB COc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)n1 14093155 SQPYBJFLOZFPNJ-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1F 4525508 PSJCCHVQRDMXKK-UHFFFAOYSA-N 316.376 2.649 0 40 DFAB CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 4705200 NVOUITDGHNRCPU-DOMZBBRYSA-N 304.390 2.719 0 40 DFAB COc1ccc([C@@H](O)c2nnc(-c3ccccc3)o2)cc1OC 7002452 DPYANATXGFARKX-OAHLLOKOSA-N 312.325 2.836 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)no1 7059424 HEBMGXCKSCXNDD-VIFPVBQESA-N 302.359 2.979 0 40 DFAB CC1CCC(N(C(=O)c2cccc(C(N)=O)c2)C2CC2)CC1 68258740 XLXUUTXEMWIZJB-UHFFFAOYSA-N 300.402 2.969 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)cc1C 8155506 MRHURHKNGLOHSN-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB CC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 8104749 ZDMCJOSYMOITOI-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H](c2ccc(OC)cc2)C(C)C)C1 91371212 OFZDLWXQDUJHSC-MAUKXSAKSA-N 304.434 2.993 0 40 DFAB Cc1ccc(-n2nc(NC(=O)N3CCOC[C@H]3C)cc2C)cc1 96493214 KACBGEQWMBCPQI-CQSZACIVSA-N 314.389 2.742 0 40 DFAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1 69420923 KJASBOOLKQEHRH-OAHLLOKOSA-N 310.825 2.523 0 40 DFAB O=C(COC1CCCCC1)Nc1cc(-c2ccncc2)n[nH]1 69415620 LZTANFVHOZIRQD-UHFFFAOYSA-N 300.362 2.760 0 40 DFAB CC1(C)C[C@H](NC(=O)c2cnccn2)c2ccc(F)cc2O1 96477127 CTVBMACIZHYFIP-LBPRGKRZSA-N 301.321 2.648 0 40 DFAB C[C@@H](CCc1ccccc1F)C(=O)N[C@H](C)CN1CCCC1=O 96430647 KDGHVJGXHZQORZ-UONOGXRCSA-N 320.408 2.522 0 40 DFAB CNC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 8424190 VLIYEDCRIXOPJD-UHFFFAOYSA-N 316.382 2.709 0 40 DFAB CCO[C@@H]1CCCN(C(=O)c2ccc(N(CC)C(C)C)nc2)C1 69587126 WSNFSQGMAIUGSF-MRXNPFEDSA-N 319.449 2.957 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1nncn1C 69567161 CKMURPYNVDXHOK-SWLSCSKDSA-N 313.405 2.643 0 40 DFAB CC[C@H](CO)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 17269061 OYXKCVCFTWDNHJ-CYBMUJFWSA-N 311.389 2.615 0 40 DFAB CN(C(=O)CN(C)[C@@H](c1ccccc1)C(F)(F)F)C1CC1 69664526 CVDORGITQONGHR-AWEZNQCLSA-N 300.324 2.843 0 40 DFAB CNc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccccc1 8720419 NOVBRPFIGJRNBI-CYBMUJFWSA-N 312.369 2.590 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)CCOC 97048607 SJEXUEOAWGUHQO-UHFFFAOYSA-N 301.184 2.856 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 97034822 TXPPHBMBERBZCX-XQLPTFJDSA-N 324.465 2.789 0 40 DFAB CCCc1ncc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)s1 72296640 HTMSLERBHMDVMV-LLVKDONJSA-N 320.418 2.807 0 40 DFAB CSc1c(F)cc(NC(=O)N2CCC(CO)CC2)cc1F 97107734 LYXAGGWDVNWHAO-UHFFFAOYSA-N 316.373 2.923 0 40 DFAB O=C(NCc1ccc2c(c1)CCC2)N[C@H]1CCO[C@@H](C2CC2)C1 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C[C@@H](NC(=O)C(=O)NCCCc1ccccc1)c1ccccc1 38717538 QTWVQSZBMJPUQO-OAHLLOKOSA-N 310.397 2.613 0 40 DFAB COc1cccc(OC)c1C(=O)NCCSCc1ccco1 408574831 LSAHWJTVNOLJAY-UHFFFAOYSA-N 321.398 2.960 0 40 DFAB COCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 32610576 FQUMZDNAETYYKV-UHFFFAOYSA-N 314.172 2.823 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC(C)(C)C2CC2)C1 75212558 CDZLBNATZLLYQC-WCQYABFASA-N 310.438 2.985 0 40 DFAB CCCc1nc(S/C(=C\c2ccc(N(C)C)o2)C(=O)O)n[nH]1 213375468 RSIJIFWOYGAKGC-NTMALXAHSA-N 322.390 2.634 0 40 DFAB Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72403627 YXPZWUCIAPLGKS-GFCCVEGCSA-N 311.345 2.690 0 40 DFAB Cc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1F 70637725 JHAARGWCGXNEPD-UHFFFAOYSA-N 309.362 2.955 0 40 DFAB OCCN1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72361605 HLWBFUYEJRPEQE-CYBMUJFWSA-N 317.364 2.580 0 40 DFAB COC(=O)CC1CCN(C(=O)c2cn(C)c3ccccc23)CC1 79488604 FRXDJMDEGWJQGS-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1CCSC2(CCCCC2)C1 79631798 SNDXYTIROQZGDX-UHFFFAOYSA-N 307.463 2.929 0 40 DFAB Cn1cncc1-c1nnc([C@H]2CCN(Cc3cccs3)C2)o1 49170490 UHTTZBXBMDOEMN-NSHDSACASA-N 315.402 2.521 0 40 DFAB biogenic,in-vitro O=C(O[C@H]1CCS(=O)(=O)C1)C1CCC(c2ccccc2)CC1 76906952 RVSQJYISOVZRKN-GPANFISMSA-N 322.426 2.691 0 40 DFAB Cc1noc(C)c1N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 80948594 AYEJCSHIQWRBCR-UHFFFAOYSA-N 313.357 2.917 0 40 DFAB Cc1c(C(=O)OCCC(C)C)sc2nc3n(c(=O)c12)CCC3 45574703 KVOBHLVUOLYUAS-UHFFFAOYSA-N 320.414 2.916 0 40 DFAB COC[C@H](C)NC(=O)c1ccc(OC)c(COCC(C)C)c1 224455789 YDUZZTVFHUSDHW-ZDUSSCGKSA-N 309.406 2.633 0 40 DFAB CC(C)(CO)CCCNC(=O)NC1(c2ccccc2F)CC1 96461470 GWOZYSNGOPRXQF-UHFFFAOYSA-N 308.397 2.913 0 40 DFAB CC(=O)Nc1cccc(Cn2c(C(F)(F)F)csc2=O)c1 96450953 NZQQOELHUXBBCC-UHFFFAOYSA-N 316.304 2.935 0 40 DFAB O=C(NC1CC=CC1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95463083 NIPANQXLFKGXBP-HUUCEWRRSA-N 308.328 2.813 0 40 DFAB CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 96450615 IZFVNPLLLTVGEL-CABCVRRESA-N 318.442 2.975 0 40 DFAB CCOCc1ncn2c1CN(C(=O)Nc1cccc(C)c1)CC2 96260156 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QRAIOGKXBDBYLT-HNAYVOBHSA-N 308.381 2.957 0 40 DFAB O=S(=O)(CCc1ccccc1)N1CCC2(CC1)CC2(F)F 651858988 MIXSCBGWYFHXQG-UHFFFAOYSA-N 315.385 2.680 0 40 DFAB CCCn1c(SC[C@@H]2CCOC2)nc2ccccc2c1=O 193219502 CBFXTSHIFMHWIX-GFCCVEGCSA-N 304.415 2.935 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 13169701 WYVAUAFNCPLXCC-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H](N)c1ccccc1Br 19796140 LSNWFWHKHZIBJO-LLVKDONJSA-N 315.211 2.974 0 40 DFAB COc1ccc(C(=O)NC[C@H](O)c2sccc2C)cc1F 206699101 AWAYQZXXVFLNMW-LBPRGKRZSA-N 309.362 2.668 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccccc1F)OCc1ccccc1 16158635 XCCSKLSUZZWAKG-CQSZACIVSA-N 303.289 2.878 0 40 DFAB O=C(NC1CN(c2ccccn2)C1)[C@H]1CCCc2ccccc21 1888856566 WDLJJWAQVJMOPW-KRWDZBQOSA-N 307.397 2.507 0 40 DFAB CC(C)c1nc2ccccc2n1C1CN(C(=O)[C@@H]2CCCO2)C1 1888857030 QCVBPFYCDCRZJM-INIZCTEOSA-N 313.401 2.722 0 40 DFAB O=C(c1ccco1)N1CCC[C@@H](c2nc(-c3ccncc3)no2)C1 1888929029 ZKAFEXZFWKEBRO-CYBMUJFWSA-N 324.340 2.744 0 40 DFAB C[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCO1 24014561 BDZHUTYKVIDGNE-VIFPVBQESA-N 303.189 2.653 0 40 DFAB O=C(c1csc2c1CCCC2)N1CCO[C@@H](c2cc[nH]n2)C1 2037928554 RDNFFBXLUGFBPS-CQSZACIVSA-N 317.414 2.564 0 40 DFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 60237374 FRXPNNABKWJRPN-CYBMUJFWSA-N 304.390 2.750 0 40 DFAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 4313559 ULZDAHYUSORFFG-UHFFFAOYSA-N 323.308 2.760 0 40 DFAB COc1ccc(C(=O)COc2cccc3c(=O)n(C)ccc23)cc1 4584030 APIOJVQSMBKENC-UHFFFAOYSA-N 323.348 2.809 0 40 DFAB O=C(c1ccc2[nH]cnc2c1)N1CCn2c1nc1ccccc12 30650960 QHBGSKDTJAAPCB-UHFFFAOYSA-N 303.325 2.573 0 40 DFAB COc1ccc(C2=Nn3c(nnc3C(C)(C)C)SC2)cc1 56299 PXJFYPQXRVCZIH-UHFFFAOYSA-N 302.403 2.942 0 40 DFAB O=C(C1CC1)N1CCC(Nc2ncnc3sccc23)CC1 40493233 LEUILNGUGYPZDW-UHFFFAOYSA-N 302.403 2.504 0 40 DFAB O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(F)c(F)c1 40525889 KFIOZZHPPBQEFO-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCCO1 40535180 OSCYOHLGSOUPQW-GXFFZTMASA-N 312.207 2.675 0 40 DFAB CCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 215424 ZPZQSGURKROMIU-UHFFFAOYSA-N 313.401 2.787 0 40 DFAB Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1Cl 211349 XDMGZUGQNIIXNU-UHFFFAOYSA-N 321.789 2.563 0 40 DFAB CC(C)Oc1ccc(NC(=O)NCc2cnn(C)c2)c(F)c1 52264977 DMNIDOMBOBMMCG-UHFFFAOYSA-N 306.341 2.668 0 40 DFAB CN(C(=O)c1cnn(C)c1)[C@@H](c1cccc(F)c1)c1ccccn1 69900929 YMNRTSPHEHOXAU-KRWDZBQOSA-N 324.359 2.816 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cnccn2)cc1 76068519 VLDORUFXIGDIEC-NVXWUHKLSA-N 311.385 2.683 0 40 DFAB CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C)nc21 12395717 OVLIVSIHUPFXHQ-UHFFFAOYSA-N 301.268 2.630 0 40 DFAB O=C(O)[C@H]1CC12CCN(C(=O)CCCOc1ccccc1)CC2 78803080 KQFRWLZDVXRVKQ-OAHLLOKOSA-N 317.385 2.559 0 40 DFAB CCOC(=O)CN(C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 79102196 NAOCTWZIRXXYKX-ZDUSSCGKSA-N 317.389 2.909 0 40 DFAB CC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccc(C(F)(F)F)cc1 2754399 DKYFIMSRVYKJDE-GHMZBOCLSA-N 319.304 2.753 0 40 DFAB Cc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 4275412 WBRJOHKLLPFQLO-UHFFFAOYSA-N 302.355 2.945 0 40 DFAB C[C@@H](OC(=O)Cc1cccs1)C(=O)N1CCc2ccccc21 22702849 JQGZIISCKUCYJQ-GFCCVEGCSA-N 315.394 2.812 0 40 DFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C 6560758 JPXDAXOSYIDUSB-OAHLLOKOSA-N 317.458 2.656 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)c3cnccn3)cc2F)n1 47409184 PEFAGXBZKZVYNH-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB O=C(CC(F)(F)F)NCCc1nc(-c2ccccn2)cs1 96405461 UEORVTJUXLAITE-UHFFFAOYSA-N 315.320 2.816 0 40 DFAB CC(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)s1 23481892 OWJLWRZKRLIEEJ-UHFFFAOYSA-N 317.366 2.652 0 40 DFAB CNCCCNCc1cccc(OC)c1OCc1ccccc1 8377226 JXSUSKQYXXWGKZ-UHFFFAOYSA-N 314.429 2.973 0 40 DFAB CCOC(=O)[C@H](CN)[C@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635788 ZVWBFUVUIJMJET-ILRDRHFLSA-N 322.493 2.805 0 40 DFAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc3C1)OC2=O 100260380 BCOOHAJVMHYSQG-OALUTQOASA-N 313.397 2.693 0 40 DFAB Cc1cccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)c1 9187929 SJHPQSDNHJEYIG-ZROIWOOFSA-N 323.377 2.576 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 9234891 GSCWGGPBKGDOMA-OAHLLOKOSA-N 300.402 2.606 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)N(C)[C@@H](C)COC)sc2n1 48251491 BFHJOHDFBNLJCK-VIFPVBQESA-N 321.446 2.977 0 40 DFAB C[S@](=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1 12755844 UVAPAGJYDYSOMB-OAQYLSRUSA-N 305.374 2.536 0 40 DFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)cc1 58139206 RNCQVCSUSBSJKP-MRXNPFEDSA-N 316.401 2.815 0 40 DFAB NC(=O)[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 10268201 SIMGGDTVXCHCQP-QGZVFWFLSA-N 308.381 2.522 0 40 DFAB Cc1cc(=O)n2nc(N(C)[C@@H](C)c3cccs3)sc2n1 58297927 RMFZWJRLUUHGOO-VIFPVBQESA-N 306.416 2.718 0 40 DFAB COC(=O)c1c(C)cccc1S(=O)(=O)N(C)c1ccccc1 58325977 YTFJVLBNOGUQTO-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB CO[C@H](C)CC(=O)N1CCC(c2nc3ccccc3o2)CC1 58330913 IGZNTCRFCNWODD-GFCCVEGCSA-N 302.374 2.959 0 40 DFAB COc1ccc(C[C@@]2(C)NC(=S)N(c3ccccc3)N2)cc1 27906470 BYRPABIHYGGPJW-KRWDZBQOSA-N 313.426 2.853 0 40 DFAB CCOC(=O)N1[C@H]2CC[C@@H]1CC(O)(c1ccc(Cl)nc1)C2 27652101 SLPRAMHKLMLDEH-ODOQXGPZSA-N 310.781 2.706 0 40 DFAB COc1c(Cl)cccc1NCc1nnnn1-c1ccccc1 58440390 PICZJHBSCUZZDA-UHFFFAOYSA-N 315.764 2.936 0 40 DFAB O[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCOCC1 23633444 XFFYRRZXFFRISV-GOSISDBHSA-N 319.445 2.806 0 40 DFAB C[C@@H](CC(=O)NCC1(CCO)CCOCC1)c1ccc(F)cc1 84636761 GTHKEZQXUQFDDB-AWEZNQCLSA-N 323.408 2.615 0 40 DFAB COc1ccc([C@H](C)N(C)C(=O)CCCc2nc(C)no2)cc1 58953056 TVQCSQYWNORHIJ-LBPRGKRZSA-N 317.389 2.929 0 40 DFAB CN(C)c1ccc(C(=O)NCCCn2ccc3ccccc32)cn1 46318420 XXQRQQREWYWHMZ-UHFFFAOYSA-N 322.412 2.922 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@H](C)c2ccccc2)c2ccccc21 12933598 OPKTZNIINXVIIJ-CQSZACIVSA-N 323.396 2.700 0 40 DFAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(-n2cncn2)cc1 12998215 CSJUQBODTWNFDE-CYBMUJFWSA-N 324.359 2.826 0 40 DFAB C[C@@H](OC(=O)CSc1ccncc1)c1nc(C2CC2)no1 95466500 RRALAXSNVBACSM-SECBINFHSA-N 305.359 2.739 0 40 DFAB COCCCOc1cccc([C@H]2NC(=O)c3ccccc3N2)c1 63901623 XMUZFGYAYRUUOD-QGZVFWFLSA-N 312.369 2.956 0 40 DFAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(N)c2)C1 4188315 SBJAAFMZXQXSCV-BBRMVZONSA-N 308.447 2.858 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccncc2)C1 65565086 XPXGPYAJEPGMSC-AWEZNQCLSA-N 324.384 2.964 0 40 DFAB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@H]4CCOC4=O)cc3c2C1 14139563 GLYHLHPMYGKKMH-QFYYESIMSA-N 313.353 2.765 0 40 DFAB Cc1ccccc1NC(=O)c1cc(F)ccc1NS(C)(=O)=O 65621707 LWVJINGUNQMYSA-UHFFFAOYSA-N 322.361 2.758 0 40 DFAB Cc1nc(COc2ccccc2C(=O)NCCC(C)C)no1 14706633 HHADCKNDTDTIJA-UHFFFAOYSA-N 303.362 2.733 0 40 DFAB O=c1c(-c2ccccc2)nnc2sc(Cc3ccccc3)nn12 6755137 RXDASFRRCIMAOR-UHFFFAOYSA-N 320.377 2.804 0 40 DFAB CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)n2ncnc2N1 6851009 CYPKBXOFVYTZRR-ZDUSSCGKSA-N 318.764 2.784 0 40 DFAB COc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)n1 96001211 VSHFCPLKLXFAIO-ZDUSSCGKSA-N 316.361 2.539 0 40 DFAB CO[C@H](C(=O)N[C@@H](c1nc(C)no1)C(C)C)c1ccccc1 96003836 RAGUDBOGWAREOK-KGLIPLIRSA-N 303.362 2.579 0 40 DFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 7605347 ZYYITQMRKRINSL-ZDUSSCGKSA-N 315.373 2.956 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)c1 7610101 CWJQYEQEPHRXIO-AWEZNQCLSA-N 312.369 2.884 0 40 DFAB c1ccc([C@@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)cc1 70037450 FDSYVVIOBFXIAA-INIZCTEOSA-N 322.368 2.705 0 40 DFAB COc1c(CNC2CCN(C(C)(C)C)CC2)c(C(C)C)nn1C 69377781 ZZARHLKCWBUGHO-UHFFFAOYSA-N 322.497 2.905 0 40 DFAB CC(C)Cn1nc(C(=O)N[C@H](C)C2CC2)c2ccccc2c1=O 8357101 KHKRVTDSHXCYGP-GFCCVEGCSA-N 313.401 2.581 0 40 DFAB COc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1CO 69484010 BRLXIPVXZKVVGW-UHFFFAOYSA-N 321.373 2.551 0 40 DFAB CC(C)c1nc(CCNC(=O)[C@@H]2Cc3ccccc3O2)cs1 69530645 CDNKVDGNBLXBPB-HNNXBMFYSA-N 316.426 2.929 0 40 DFAB CCc1nnsc1C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 69563776 BOJKGWMJWCSJNZ-UHFFFAOYSA-N 319.430 2.998 0 40 DFAB c1cc2c(cc1C1=NN=C(NC[C@@H]3CCCO3)SC1)CCC2 9417041 NMTFZMQJKXRQPV-HNNXBMFYSA-N 315.442 2.751 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)NOCc1ccccc1 69631250 IJPQDULDUIXGJG-NSHDSACASA-N 302.378 2.529 0 40 DFAB CN1CCC[C@@H](CSc2ccc(C(=O)N3CCCC3)cn2)C1 71886133 ACAKMEXZLBRSDP-CQSZACIVSA-N 319.474 2.752 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cccn1 69778929 JBOVCFJYUAMDCK-ROUUACIJSA-N 324.428 2.571 0 40 DFAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1noc2c1CCCC2 71896752 CIYRFVQIKPTRFQ-UHFFFAOYSA-N 309.329 2.591 0 40 DFAB COc1ccncc1NCc1cc(OC)c(OC)c(OC)c1 95430865 HAIMOOIHJAHHKY-UHFFFAOYSA-N 304.346 2.728 0 40 DFAB O=C(Nc1ccnc(O[C@@H]2CCOC2)c1)c1cc(F)ccc1F 95449881 WMFVFVWXGXJNIX-GFCCVEGCSA-N 320.295 2.780 0 40 DFAB COC[C@H](C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 71910728 ZWQADYIEWRCXQQ-HZMBPMFUSA-N 317.838 2.745 0 40 DFAB Cc1ccc(C[C@H](NC(=O)CN(C)C2CC2)c2ccccn2)cc1 71909218 IXTYEHZZCYQJHU-IBGZPJMESA-N 323.440 2.884 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CO[C@H]1CCC[C@H](C)C1 71902860 YAZFPYPWLVLPNH-HOCLYGCPSA-N 307.438 2.752 0 40 DFAB CC(C)(C(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1cccnc1 95456794 RAAHYZXDKYSMNA-UHFFFAOYSA-N 323.396 2.890 0 40 DFAB CO[C@@H]1CC[C@H]2OCCN(C(=O)c3c(C)cccc3C)[C@H]2C1 95438281 TWSXWVDDIXMJCK-OWCLPIDISA-N 303.402 2.712 0 40 DFAB Cc1csc(CCCNC(=O)c2ccc(C(=O)O)cc2)n1 95424355 PPZODIBLKQPDSS-UHFFFAOYSA-N 304.371 2.512 0 40 DFAB Cc1nc([C@@H](C)NC(=O)CCc2ccccc2)sc1C(=O)O 97050089 VFCZIXUKIOKLDP-LLVKDONJSA-N 318.398 2.960 0 40 DFAB CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2coc3ccccc23)C1 72314145 ZLOULPVJDASMRJ-MNOVXSKESA-N 308.355 2.555 0 40 DFAB CC(C)Cc1noc(CN2CCC[C@@H]2c2noc(C3CC3)n2)n1 72300089 HTOZFRAATSMOJI-GFCCVEGCSA-N 317.393 2.866 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc(OC)c(OC)c2)cn1 95990290 MXANLGPIVSVMBW-UHFFFAOYSA-N 316.357 2.888 0 40 DFAB O=C(c1ccoc1)N1CCN(Cc2cccc3[nH]ccc23)CC1 95982474 WVDVDIXFVHVVOH-UHFFFAOYSA-N 309.369 2.719 0 40 DFAB CCc1cnc(CNC(=O)N[C@H]2CC(C)(C)OC2(C)C)s1 95995070 MTZGSTOFWGBYFW-NSHDSACASA-N 311.451 2.851 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)C[C@H](C)C2)c1C 9954549 YMOJFOGYICBGPC-RYUDHWBXSA-N 320.433 2.969 0 40 DFAB COC[C@H](NC(=O)NCc1sc(C)nc1C)c1ccco1 89559200 HNEBPGVSXCWECS-NSHDSACASA-N 309.391 2.540 0 40 DFAB Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(C(C)C)n(C)n1 89526275 HOUPXAGHWXAJGL-SNVBAGLBSA-N 304.394 2.682 0 40 DFAB Cc1cccc(-c2ccc(C(=O)N3CCSCC3)c(=O)[nH]2)c1 75120233 YZJRDILJERZLNG-UHFFFAOYSA-N 314.410 2.539 0 40 DFAB CC(C)(C)[C@@H](NC(=O)c1cnn(C2CCCCC2)c1)C(=O)O 89621433 CDGIVBGYDMKIBR-ZDUSSCGKSA-N 307.394 2.617 0 40 DFAB O=C(NCCCOCc1ccco1)N1CCOC2(CCCC2)C1 89797867 WWHCXCOGLYFVIQ-UHFFFAOYSA-N 322.405 2.541 0 40 DFAB O=C(NCCn1ccnc1)N1CC2(CCCC2)c2ccccc21 89857854 YBIVWOZRCBCCLF-UHFFFAOYSA-N 310.401 2.925 0 40 DFAB Cc1ccc([C@H](CNCc2cccnc2)N2CCOCC2)s1 75603934 COPOVDLJTCBOHS-INIZCTEOSA-N 317.458 2.615 0 40 DFAB CCCc1nnc(NC(=O)c2ccc3[nH]c(C)nc3c2)s1 28539483 JKDUNQJLLZCADD-UHFFFAOYSA-N 301.375 2.928 0 40 DFAB O=C(Nc1ccccc1)[C@@H](NCCO)c1ccc(Cl)cc1 408734474 UBPLTLHKWGMHJP-HNNXBMFYSA-N 304.777 2.602 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 22528238 FVAXNEGQMWJCJE-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB CCO/C(=C\c1ccc(OCC)c(O)c1)c1nnc(N)s1 408718269 HCAPZDAYMQKBGM-WQLSENKSSA-N 307.375 2.759 0 40 DFAB CN(c1ccccc1)S(=O)(=O)c1cncc(Cl)c1S 72210745 GVPLBLKPSKHLCK-UHFFFAOYSA-N 314.819 2.849 0 40 DFAB COc1ccccc1C(=O)OCC(=O)N(C)c1cccc(C)c1 72333893 CSLLEMQOLPSRML-UHFFFAOYSA-N 313.353 2.823 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)Nc1nncs1 76732699 FWMGOMKNDJBTLS-SNVBAGLBSA-N 324.837 2.693 0 40 DFAB O=C(O)c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 36965509 MCHRWWHGNSMSCW-UHFFFAOYSA-N 309.387 2.554 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1C(=O)N(OCc2ccccc2)C1(C)C 34204931 MEKOFWOLQDJVOL-CYBMUJFWSA-N 320.389 2.632 0 40 DFAB COc1ccccc1CNC(=O)[C@@H]1CC(c2ccccc2)=NO1 33148802 HYZQMMMAJQYGOS-KRWDZBQOSA-N 310.353 2.505 0 40 DFAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12 567658891 RWQSPLVEDKBJIP-HNNXBMFYSA-N 311.385 2.964 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1C 223914485 NSVASSMEIAILFL-MJBXVCDLSA-N 309.431 2.779 0 40 DFAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 222488245 XJDYMPVMDYGLSM-BZRJDHSHSA-N 315.369 2.793 0 40 DFAB Cc1noc([C@H]2COCCN2CCSCc2ccccc2)n1 192775114 XVLHZPFNMXJFJG-OAHLLOKOSA-N 319.430 2.685 0 40 DFAB CC[C@H](C)[C@](C)(O)CNC(=O)c1cccc(-c2nnc(C)o2)c1 81462612 GSDMIEDWBVQZSK-APPDUMDISA-N 317.389 2.572 0 40 DFAB Cc1onc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1C(=O)O 571931980 YDTMZFYEEDUMFA-XHDPSFHLSA-N 316.357 2.643 0 40 DFAB COCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cn1 225890765 TZYBGPUWSQEQQM-UHFFFAOYSA-N 322.405 2.641 0 40 DFAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccccn2)C1 130205828 XBYOOUYNCDLIKG-MRXNPFEDSA-N 313.376 2.548 0 40 DFAB CCc1noc(C)c1C(=O)NCCNc1ccc2ccccc2n1 81444176 JVOYPPQEOCPXLA-UHFFFAOYSA-N 324.384 2.936 0 40 DFAB O=C(OC1(C2CC2)CC1)c1cccc(N2CCCNC2=O)c1 83771027 JPVRTEAEPRPWES-UHFFFAOYSA-N 300.358 2.706 0 40 DFAB CCCC[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2F)CC1 225689175 BPXALZNLDVIPHU-CQSZACIVSA-N 320.408 2.936 0 40 DFAB Brc1cc(I)c2[nH]ncc2c1 85221790 GEPPVMLPAUPZTA-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB COc1ccc2nc(/C=C/c3cn(C)cn3)cc(C(=O)O)c2c1 330031913 FVLQQQJTPVFAEP-ONEGZZNKSA-N 309.325 2.846 0 40 DFAB COc1cccc(CNc2nnc([C@H]3Cc4ccccc4O3)o2)n1 191531367 LLSBYZFVNZFYBP-CQSZACIVSA-N 324.340 2.762 0 40 DFAB COc1cccc(-c2nc([C@@H](N)c3cccc(OC)c3)n[nH]2)c1 95533525 RZOODFLEFLHYFK-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB CC(C)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 96111809 XZZYUQLASKSMNJ-HOCLYGCPSA-N 300.402 2.673 0 40 DFAB biogenic,in-vitro Cc1ncsc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 96460252 KVXDLFUNZLSXQJ-OAHLLOKOSA-N 316.426 2.925 0 40 DFAB O=C(c1ccsc1)N1CCC[C@]2(CCC(=O)N2CC2CC2)C1 96203186 MLFCVDSYZUQBRA-KRWDZBQOSA-N 318.442 2.755 0 40 DFAB CCO[C@@H]1C[C@H](N[C@@H](C)Cc2c(C)nn(C)c2C)C12CCC2 96493417 WLZFUYQNTYGIQJ-AFAVFJNCSA-N 305.466 2.905 0 40 DFAB C[C@H](C(=O)N(C)Cc1nccn1C)n1ccnc1-c1ccccc1 96484821 KXVWQYLFCZBVPJ-CQSZACIVSA-N 323.400 2.503 0 40 DFAB Cc1oc(C(C)C)cc1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 578921579 GEHFAEDZWHQBQO-HNNXBMFYSA-N 305.374 2.532 0 40 DFAB CC[C@H](CNC(=O)N1CCC[C@H](CO)C1)Oc1ccccc1C 96455247 UKAVVJHRHWJLHM-JKSUJKDBSA-N 320.433 2.566 0 40 DFAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)c1 1595129935 IJDWXFVMFOWGIT-RAIGVLPGSA-N 309.312 2.934 0 40 DFAB CCOCCCNC(=O)c1cnn(-c2ccccc2)c1Cl 95117414 BCBAFNVKAUEBFZ-UHFFFAOYSA-N 307.781 2.682 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042099 BCBAZMBOMKJSMD-LUKYLMHMSA-N 305.418 2.528 0 40 DFAB Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 97954354 QCJYJYKXLGUNJB-OLZOCXBDSA-N 316.382 2.670 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccncn1 257322438 WFZOOQZVNSHMFW-GOSISDBHSA-N 307.397 2.872 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc(Cl)cc(-c3ccncc3)n2)C1 256049940 CAGVBKUFQSMJHS-CYBMUJFWSA-N 316.792 2.918 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1C 257336220 YNOWWWLDHCETCW-WBVHZDCISA-N 302.418 2.819 0 40 DFAB Cc1cc(C)nc(N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)n1 257214263 CLHSNEHEJIKXMS-BFYDXBDKSA-N 309.417 2.589 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)cc1C 256049217 YXVTWMZXKNEWAT-UHFFFAOYSA-N 314.389 2.819 0 40 DFAB c1ccc(Nc2cccc(C[C@@H]3COC4(CCNCC4)C3)n2)nc1 257306400 SUECXQUKWIFLNO-HNNXBMFYSA-N 324.428 2.921 0 40 DFAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@H]1O 257270630 MUZOIBLHBHRALA-XJKCOSOUSA-N 323.458 2.627 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 269838423 AUSHCEKRHXBBSE-ULQDDVLXSA-N 316.445 2.662 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N(C)C 32914093 SKTJKESSJNGYEP-HOCLYGCPSA-N 316.401 2.604 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)c1 71865772 VRXRIHYIMYWQFY-ZDUSSCGKSA-N 306.797 2.868 0 40 DFAB Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)N(C)C 55876664 AGOBQQROSJCJFF-UHFFFAOYSA-N 317.433 2.558 0 40 DFAB Cc1cnc(OC[C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc1 1775996011 QRUIOVYKKWFYCB-MRXNPFEDSA-N 317.433 2.983 0 40 DFAB Cc1nc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cs1 58283086 NFHYTZOQHSVKDN-QPJJXVBHSA-N 324.409 2.967 0 40 DFAB Cc1cnc(CN(C)[C@H]2CCN(Cc3sc(C)nc3C)C2)o1 95402351 MHUDKUMRAZAMKR-AWEZNQCLSA-N 320.462 2.763 0 40 DFAB O=C(CN1CCSC1=O)Nc1ccc(Br)cc1 6886942 SPSOQUVODQEIJM-UHFFFAOYSA-N 315.192 2.556 0 40 DFAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C)C)cc1 5009979 XHNNGGNDDQRZCK-WJDWOHSUSA-N 312.369 2.884 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1 5610501 FUONQYMBNYLMRB-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB CN(C(=O)c1ccco1)c1nc2c(s1)CCc1c-2cnn1C 12146128 OATSSKGPNMODHP-UHFFFAOYSA-N 314.370 2.512 0 40 DFAB O=C(Nc1nccs1)c1c[nH]c2c(Cl)cccc2c1=O 13725319 JWTYLQVSJNLMNU-UHFFFAOYSA-N 305.746 2.890 0 40 DFAB CC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cs1 19796639 PLDIPHNAEGHYSL-QMMMGPOBSA-N 317.370 2.512 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(F)cc1 5212911 ZGTOUNWUGGHFRE-JTQLQIEISA-N 316.361 2.988 0 40 DFAB FC(F)(F)c1ccc(CN2CCN(c3ccncn3)CC2)cc1 1204165471 BRCIVHZSSPMPFN-UHFFFAOYSA-N 322.334 2.818 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1 37225791 ZPFBBRHEKMOXRM-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB Cc1ncsc1CN1CCCC[C@@]2(C)[C@@H]1CCC(=O)N2C 2037849770 HHTVMWOVNKHBQX-HOCLYGCPSA-N 307.463 2.817 0 40 DFAB c1ccc(CN2CCN(c3nnc(C4CC4)s3)CC2)cc1 301630863 CKVVEBIWIREHSZ-UHFFFAOYSA-N 300.431 2.738 0 40 DFAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 100073991 CVYWVAYSMDKNGF-RRCSTGOVSA-N 323.348 2.643 0 40 DFAB Cc1cc(CN2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)no1 2086938280 WEPZBIKKQMPDHB-LBPRGKRZSA-N 321.371 2.968 0 40 DFAB CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 5193143 SFKGWFZHVUNIEL-OAHLLOKOSA-N 324.380 2.621 0 40 DFAB O[C@@](CNc1ncnc2cnccc12)(c1ccccc1)C1CC1 1775972584 LTJOBRUDGGNRKJ-SFHVURJKSA-N 306.369 2.735 0 40 DFAB Brc1ccc(N2CC(COc3cccnc3)C2)nc1 2298049118 LCKCPXXJPHWZRZ-UHFFFAOYSA-N 320.190 2.754 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)OCO3)o1 30989782 JTZWBWRGACTAND-LLVKDONJSA-N 302.330 2.877 0 40 DFAB COc1cc2ccccc2cc1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32736160 NDUSUPLBHNCEGC-MEBBXXQBSA-N 300.310 2.709 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCc1ccc2c(c1)OCCO2 21556384 OBEPQZCOYJLBPD-UHFFFAOYSA-N 316.357 2.808 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2scnc2C)C1 69848662 AIFPYQWQNYENKS-LBPRGKRZSA-N 304.419 2.688 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 350732 XWKDFGTZUGEMJE-MSOLQXFVSA-N 315.369 2.950 0 40 DFAB Cc1c(Br)c(C(=O)N2CCCC[C@@H]2C)nn1C 2776791 XCZORCVCSRRDGL-QMMMGPOBSA-N 300.200 2.506 0 40 DFAB CC(=O)NCc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 70887165 WNMHGXIBJUMNJT-UHFFFAOYSA-N 318.760 2.934 0 40 DFAB CC[C@H](OC(=O)c1ccc(=O)n(C)n1)C(C)(C)c1ccccc1 78869703 ZORQWTIPQUMIDN-HNNXBMFYSA-N 314.385 2.694 0 40 DFAB C[C@H](c1ccc(F)cc1)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1 78900672 LFENINAJDYFKGL-YPMHNXCESA-N 316.380 2.588 0 40 DFAB Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1O)N2 103541851 VZNRHEGUAGBQPJ-AWEZNQCLSA-N 305.341 2.622 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(F)c1 22517043 BHKFTZJIFCAZDZ-UHFFFAOYSA-N 320.408 2.591 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1 12407034 VEYZXGXQALVHHU-TZMCWYRMSA-N 315.398 2.691 0 40 DFAB COCCNC(=S)Nc1ccc(Br)c(C)c1 6332762 OAQXWQAZUYXCID-UHFFFAOYSA-N 303.225 2.690 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccnc(Cl)c1 47501992 AXCRBJMACUYFMX-UHFFFAOYSA-N 317.654 2.694 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NC[C@]3(O)CCSC3)s2)o1 97238005 FTGZVQNMGIZPDU-OAHLLOKOSA-N 323.439 2.914 0 40 DFAB O=C(NCC1CC1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 22971800 DCLIJSQOGPHPCM-OAHLLOKOSA-N 308.381 2.719 0 40 DFAB COc1cc(-c2nnc3n2CCCCC3)cc(OC)c1OC 3176259 OBJZSFBPDCYSNJ-UHFFFAOYSA-N 303.362 2.697 0 40 DFAB COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 851832 OBFXQWQLEOUXLO-VXGBXAGGSA-N 307.390 2.831 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 100395535 BCNNJHDWOXQMDX-WJQMWINMSA-N 322.408 2.726 0 40 DFAB O=C(N[C@H]1CCCCNC1=O)c1sc2ccccc2c1Cl 42477960 QRVMBQBXOOJUAS-JTQLQIEISA-N 322.817 2.953 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2nnc(C)s2)c1 43407306 HOELTFLPAOWQJY-QMMMGPOBSA-N 322.390 2.746 0 40 DFAB COc1cccc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCC2CC2)c1 107721120 ZFKDCVGOUUPRQW-GBESFXJTSA-N 317.429 2.854 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O 57279895 DRRMDIOYKMTUNQ-SJCJKPOMSA-N 318.442 2.915 0 40 DFAB Cn1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1=O 55908058 SXSIGNCEJHDTFQ-QGZVFWFLSA-N 300.377 2.732 0 40 DFAB CCOC(=O)c1cn(-c2ccc(F)cc2)c(C(=O)OCC)c1N 34929155 MBNJJEVMTHDXGG-UHFFFAOYSA-N 320.320 2.552 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)c(C)c1 25598843 FPIAFVZSTOJVBI-UHFFFAOYSA-N 324.380 2.907 0 40 DFAB Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H](O)C3)c2)oc1C 56730376 NPRRLDKMUWYJHZ-OAHLLOKOSA-N 315.373 2.947 0 40 DFAB Cc1cccc(NC(=O)N2CCN(CC(F)(F)F)CC2)c1 12695553 QJOFFEZTRUXHRK-UHFFFAOYSA-N 301.312 2.707 0 40 DFAB CCN(C(=O)c1cc2ccccc2s1)[C@H]1CC(O)=NC1=O 58185838 UMJYLTLYYSTFOK-JTQLQIEISA-N 302.355 2.619 0 40 DFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(c2cc[nH]n2)CC1 58265885 OUTXPOYPFLQTIB-CQSZACIVSA-N 324.428 2.567 0 40 DFAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1 100499940 FYRPDSVRKDODDO-GVAFMPQTSA-N 309.365 2.787 0 40 DFAB C[C@@H]1CN(C(=O)NCc2nc(-c3ccccc3)cs2)CCO1 58291713 YOWXUXMWBWWRBP-GFCCVEGCSA-N 317.414 2.740 0 40 DFAB Cc1ccnc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)n1 27970872 DXEWPUMTOFTLOQ-UHFFFAOYSA-N 321.384 2.899 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)[nH]n1 44908203 LSLMPNGFCBFZBK-UHFFFAOYSA-N 313.357 2.678 0 40 DFAB O=C1NCCCC[C@H]1Sc1ncnc2sc3c(c12)CCC3 10340270 ZXYFOYCNMUDAFQ-LLVKDONJSA-N 319.455 2.941 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1ccc(OC(F)(F)F)cc1 58330568 YJYPBZWWMGOCGI-NSHDSACASA-N 305.252 2.773 0 40 DFAB CN1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1=O 45196801 BNSRHSOOHVDSMO-CYBMUJFWSA-N 320.820 2.699 0 40 DFAB OCCOCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 84452296 CUOGBHPAXUOZKS-UHFFFAOYSA-N 306.309 2.683 0 40 DFAB CC[C@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29316517 ZWVLQBVMFOIRNH-QMMMGPOBSA-N 304.799 2.696 0 40 DFAB c1coc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)c1 20414291 HHVWFRMPUOZIKQ-UHFFFAOYSA-N 311.345 2.645 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccnn1C)c1nc2ccccc2[nH]1 60299643 WCNYOYLLVHUNTP-CQSZACIVSA-N 311.389 2.814 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCCO2)c1 249063712 SGWIXYJKTATHGJ-HWWQOWPSSA-N 319.405 2.573 0 40 DFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 3445757 PCQAXVDFNXZWGJ-UHFFFAOYSA-N 315.712 2.751 0 40 DFAB COCCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 70971510 UYYWZZQANFQKBU-UHFFFAOYSA-N 313.279 2.866 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Br)c[nH]1 8938091 MAFFBXUHTIODKA-UHFFFAOYSA-N 309.119 2.758 0 40 DFAB CC(C)OCc1c(I)cnn1C(C)C 408716757 QOYHYSHRIUQLMD-UHFFFAOYSA-N 308.163 2.994 0 40 DFAB Cc1ccccc1CNC(=O)CCc1nc2ccccc2oc1=O 14182779 NCIWHFFWCUHFJQ-UHFFFAOYSA-N 322.364 2.745 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccccn1)c1ccccc1Cl 14120584 VUTZPGVVZWNXDE-AWEZNQCLSA-N 318.760 2.769 0 40 DFAB Cc1cc(C)cc(OCCC(=O)N[C@H](C)c2nc(C)no2)c1 65606945 ZCGMMWQVIZNWPR-GFCCVEGCSA-N 303.362 2.641 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 5536948 UEHVPVBUXNVUJC-UHFFFAOYSA-N 312.325 2.904 0 40 DFAB NC(=O)c1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 5770773 IRKWBWUMEDGBHK-UHFFFAOYSA-N 313.401 2.876 0 40 DFAB Cc1cccc(OCCCN2C(=O)N[C@H](CC(C)C)C2=O)c1 15583848 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Cc1cnn([C@@H](C)[C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 69592255 PDRSDFNJWSLRLN-GJZGRUSLSA-N 314.433 2.633 0 40 DFAB Cn1nnnc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 19854787 ULUDWTKNHYRTIU-UHFFFAOYSA-N 322.393 2.756 0 40 DFAB CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2COCCO2)cc1 71799895 HCLYPVPGMLOIGP-IUODEOHRSA-N 309.431 2.780 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c2[nH]ncc2c1 71796654 ULTBFEMJJWELLA-HNNXBMFYSA-N 309.373 2.582 0 40 DFAB O=C(NCCCOC[C@@H]1CCOC1)N1CCC2(CCCC2)CC1 96419954 BHXHWSJAUOLGPN-INIZCTEOSA-N 324.465 2.795 0 40 DFAB COC(=O)C[C@@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 84636920 DDWKZOUHSWSYFM-LLVKDONJSA-N 319.336 2.690 0 40 DFAB CCCCc1noc([C@@H](C)NC[C@H]2CCCn3ccnc32)n1 84746900 LIGPRSGTVCEZKP-CHWSQXEVSA-N 303.410 2.837 0 40 DFAB CCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 9817472 MXOXOLYHJUXLBE-UHFFFAOYSA-N 309.416 2.526 0 40 DFAB O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)[C@H]1COCCO1 72274874 JSWFBEKHLXJBGY-CVEARBPZSA-N 323.364 2.801 0 40 DFAB COc1cccc(CNc2cc(CN(C)C)ccn2)c1OC 95428436 KCAGHORGFONBSW-UHFFFAOYSA-N 301.390 2.773 0 40 DFAB CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)C2CC2)c2ccccc21 95411590 CLJSULXUDOTXLA-MRXNPFEDSA-N 312.413 2.712 0 40 DFAB CC(C)NC(=O)[C@@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1 95422582 KEBYQLBSRVPUQQ-IAGOWNOFSA-N 300.446 2.827 0 40 DFAB O=c1[nH]c(NCc2ccc(-c3ccn[nH]3)cc2)nc2ccccc12 97995064 CTWXQHOGTUTJPQ-UHFFFAOYSA-N 317.352 2.925 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCc2cnc(C)s2)c(C)c1 98038980 ODTYINVGCIGMEZ-UHFFFAOYSA-N 310.444 2.855 0 40 DFAB CCc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)o1 95956995 WDETYIUOKHNWSV-ZDUSSCGKSA-N 305.305 2.927 0 40 DFAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cccc(F)c1F 95986980 TXZCANGMZQDWDH-LLVKDONJSA-N 311.328 2.770 0 40 DFAB O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CCc2ccccn2)C1 95973148 UKNOXRPRCGBSPS-RHSMWYFYSA-N 304.340 2.710 0 40 DFAB CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1 95969350 GFXXSEUXFHCSLY-HZPDHXFCSA-N 316.445 2.837 0 40 DFAB C[C@@H]1CCO[C@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95971255 NISJPHNDJNUSHK-BDJLRTHQSA-N 322.368 2.988 0 40 DFAB CN(CCOCC1CC1)C(=O)Nc1nc2c(s1)CCCC2 89346308 LMHZNQZDKHORBE-UHFFFAOYSA-N 309.435 2.912 0 40 DFAB CCCc1nc([C@@H](NC(=O)NC2CC2)c2ccccc2)no1 86167212 PTPJALLPXAPWJH-AWEZNQCLSA-N 300.362 2.573 0 40 DFAB CNC(=O)Nc1cccc(NC(=O)Cc2ccc(C)c(O)c2)c1 89435327 NZLCAAHFBMZDNY-UHFFFAOYSA-N 313.357 2.633 0 40 DFAB NC(=O)c1cnc(N[C@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 75092171 GNAUZJNCDIOHAS-KBPBESRZSA-N 317.776 2.776 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@@H]1CCC[C@H](C2CC2)C1 89598061 LMNAFXICFSRNCA-UONOGXRCSA-N 303.406 2.965 0 40 DFAB CC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1C 89544997 CBEXAORGKMUEBI-SNVBAGLBSA-N 319.792 2.932 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccc(-c2ccco2)[nH]c1=O 75124838 HPANMABYBUWHAR-UHFFFAOYSA-N 314.366 2.969 0 40 DFAB Cc1nnc([C@@H](C)Nc2ccc(CN3CCOC3=O)cc2)o1 89736239 ADONTLHVQSILEH-SNVBAGLBSA-N 302.334 2.503 0 40 DFAB Cc1cc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)ccn1 180609104 GZUOCLRTRHPVGS-KRWDZBQOSA-N 311.385 2.865 0 40 DFAB CCn1cc(C(=O)NCCCN2CCC[C@H](C)C2)c(C(C)C)n1 76958546 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O=C(NCCCc1ccco1)c1ccc(Cn2ccnc2)cc1 225042007 DSROLPXYZQJHJV-UHFFFAOYSA-N 309.369 2.887 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@@H]1C[C@H]2OCCC[C@H]12 194327274 BMLMLNBHUTWMLH-DJIMGWMZSA-N 311.385 2.602 0 40 DFAB O=C(c1ccccn1)N1CCC(Oc2ncccc2Cl)CC1 96096887 WAQMMSHSXATZHD-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB Cc1nc(C)c(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 97234253 RFMOUCWKQCXHEV-CYBMUJFWSA-N 319.434 2.920 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@H]1CCCSC1 96493235 TXPXTSCEZOGBDH-HNNXBMFYSA-N 322.474 2.865 0 40 DFAB FC(F)(F)CN1CCN(Cc2csc(C3CC3)n2)CC1 179239341 TYBHAKVUBVLLDH-UHFFFAOYSA-N 305.369 2.700 0 40 DFAB CC[C@@H](NCc1nncn1C)c1ccc2c(c1)CC(C)(C)O2 96491817 NGKXREXYRATPOK-CQSZACIVSA-N 300.406 2.770 0 40 DFAB COCCCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl 96420017 NWEQOVMYRFWAGU-NSHDSACASA-N 306.189 2.570 0 40 DFAB CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)CCCc2ccccc2)C1 96492775 DHZDLLLJSWVUKT-QAPCUYQASA-N 316.445 2.773 0 40 DFAB Cc1nn(C)c(C)c1OC(=O)c1ccn(-c2ccc(F)cc2)n1 96424015 ZOMAMGNWCPAVLB-UHFFFAOYSA-N 314.320 2.581 0 40 DFAB COc1cnc(N(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)nc1 332176082 NREDRTRXGKWRDL-JTQLQIEISA-N 317.414 2.948 0 40 DFAB CC(C)(C)OC(=O)Nc1cc(CO)c(Br)cn1 96024854 OERFTJNBKXLAPX-UHFFFAOYSA-N 303.156 2.683 0 40 DFAB Cc1cc(C(=O)N[C@@H]2COc3ccccc3C2=O)c(C)n1C1CC1 95463109 FEGCVNFYKFRLTD-MRXNPFEDSA-N 324.380 2.814 0 40 DFAB CN1CCO[C@@H](C(=O)Nc2ccccc2Nc2ccccc2)C1 96495194 PGSUBCLGGVFBQV-QGZVFWFLSA-N 311.385 2.699 0 40 DFAB COCc1noc(-c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 95394465 LPAHUFYQKAJBCB-UHFFFAOYSA-N 314.320 2.697 0 40 DFAB Cc1[nH]c2ccc(CNS(=O)(=O)CCOC(C)C)cc2c1C 96451025 UFLMFSOCDIFKQQ-UHFFFAOYSA-N 324.446 2.629 0 40 DFAB Cc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(C)nc2c1 96413665 RYKRYGFWUQZMMO-CQSZACIVSA-N 312.369 2.788 0 40 DFAB Cc1ccc(-c2nc(S(N)(=O)=O)c(-c3ccccc3)o2)cc1 94992782 CFNMFGZJOLRGJJ-UHFFFAOYSA-N 314.366 2.964 0 40 DFAB Cc1cc(C[C@@H](C)N[C@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 90534045 QCYWKOBFIDECJS-TZMCWYRMSA-N 324.432 2.889 0 40 DFAB CC(C)COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cn1 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O=C1CSc2ccc(C(=O)NCCc3ccccc3)cc2N1 216002 UOWSYWAGJQFZLE-UHFFFAOYSA-N 312.394 2.703 0 40 DFAB O=C(COc1ccccc1)Nc1cccc(Cn2cccn2)c1 32466646 SGFASVDDMSUIGF-UHFFFAOYSA-N 307.353 2.949 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NCc1cccnc1N(C)C 32688555 WCCIWAIGTJDXRJ-UHFFFAOYSA-N 322.412 2.727 0 40 DFAB O=C1C[C@@H](C(=O)NCc2cccs2)c2ccc(F)cc2N1 21328993 ZIBPNYUKJFCLKW-GFCCVEGCSA-N 304.346 2.629 0 40 DFAB COc1cc(OC)c(C(=O)NCc2ccc(C)cc2)cc1OC 365390 VVIRYHKNENSTDM-UHFFFAOYSA-N 315.369 2.951 0 40 DFAB CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1 559580 OOEAMHZNAPBJBL-UHFFFAOYSA-N 301.342 2.735 0 40 DFAB CN1CC[C@H](C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1=O 46800174 AWVMXTWUMCMSRH-ZFWWWQNUSA-N 320.820 2.872 0 40 DFAB COc1ccc(OC)c(CN[C@H](C)c2c(C)nn(C)c2C)c1 78553254 LBZLWBNBFVFZCD-LLVKDONJSA-N 303.406 2.905 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(Nc2cccc(F)c2)s1 22170737 GUHLZOXRESAKCU-VIFPVBQESA-N 311.363 2.828 0 40 DFAB Cc1nnc(CSc2nnc(COc3ccccc3)o2)o1 4512885 BUKADXZCCLLNEV-UHFFFAOYSA-N 304.331 2.632 0 40 DFAB COc1ccc(C2=NO[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 6738255 OXGPZIFVAYTNSZ-QGZVFWFLSA-N 310.353 2.851 0 40 DFAB CNC(=O)COc1cccc(NC(=O)c2coc3ccccc23)c1 95396615 IEELFDHDISRJEY-UHFFFAOYSA-N 324.336 2.810 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2F)c1 23174959 SDMHJIAGNJNGSJ-UHFFFAOYSA-N 304.321 2.507 0 40 DFAB CCOC(=O)c1ncccc1NC(=O)Cc1ccc(F)c(F)c1 95410119 SYTSSAOPIQPVAH-UHFFFAOYSA-N 320.295 2.718 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccccc1 8288764 KJMZJFMPUQTKRP-UHFFFAOYSA-N 318.760 2.717 0 40 DFAB O=C(NCCCn1ccnc1)N1CCC[C@H]1c1cccs1 42898388 XUUVKOJHECLPLS-ZDUSSCGKSA-N 304.419 2.881 0 40 DFAB CCN(CC)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 9551831 ISKMYCPGBPCNCN-UHFFFAOYSA-N 302.374 2.810 0 40 DFAB CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2ccncc2)cn1 95402217 MTMPPIYMYZWFLH-JLJPHGGASA-N 300.406 2.726 0 40 DFAB C[C@H](NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 1501209 UDNPKSIJYCKAPQ-JTQLQIEISA-N 309.412 2.643 0 40 DFAB Cc1cccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1 12602727 XEKGCYVFUFFQSH-UHFFFAOYSA-N 307.357 2.897 0 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CCN(CC)C(=O)c1ccc(Nc2ncnc3c2cnn3C)cc1 14221063 DTOSWECEJCSLGB-UHFFFAOYSA-N 324.388 2.589 0 40 DFAB COC(=O)c1cc(COC(=O)c2n[nH]c3ccccc23)oc1C 5827357 UNQAPYFNXLQOMZ-UHFFFAOYSA-N 314.297 2.608 0 40 DFAB CCOC(=O)C1CCN([C@@H](C(=O)OCC)c2ccccc2)CC1 67472267 HUQZJTQRNBULSU-MRXNPFEDSA-N 319.401 2.566 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)CCNC(=O)c2ccco2)c1 15693151 PZVVFKLQDWQVHX-CQSZACIVSA-N 314.385 2.894 0 40 DFAB COCc1cccc(CNc2ncncc2Br)c1 90780844 LEMKTCMMGZWROF-UHFFFAOYSA-N 308.179 2.998 0 40 DFAB C[C@H](Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C1(C)CC1 97037533 WJYVOJURANTVFR-HNNXBMFYSA-N 315.461 2.604 0 40 DFAB COc1ccc(OC)c(CCC(=O)NOCc2ccccc2)c1 25039617 LSWNFAPYAHTFBR-UHFFFAOYSA-N 315.369 2.884 0 40 DFAB Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)o1 97010668 BILSBNSFGPRJAD-OAHLLOKOSA-N 313.353 2.794 0 40 DFAB Cn1cnnc1[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 91428814 SSGTZGKFLQHCPS-JTQLQIEISA-N 311.311 2.613 0 40 DFAB O=C(CCC(=O)NCc1ccco1)NCCC1=CCCCC1 8379396 YVLNVVUYRKWSBZ-UHFFFAOYSA-N 304.390 2.683 0 40 DFAB COc1ccccc1CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C 69509979 UIPUUGUTCNCDBU-SJORKVTESA-N 316.445 2.713 0 40 DFAB CCN(CC)[C@@H](C)CNC(=O)c1ncoc1-c1cccs1 69586855 CNVNOFBWEXBTTK-NSHDSACASA-N 307.419 2.863 0 40 DFAB CC(C)c1nnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)o1 97379316 QEMRIVJKAHTEJO-UHFFFAOYSA-N 321.402 2.873 0 40 DFAB CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)OCO4)cnc21 17525855 SLBBZNHSGWLHPZ-UHFFFAOYSA-N 324.340 2.993 0 40 DFAB C[C@H](NCc1nnc(Cc2ccccc2)o1)[C@@H](C)n1cccn1 69948389 APBSLVCLHGJYOF-UONOGXRCSA-N 311.389 2.596 0 40 DFAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCCC1 8709959 YEPGCDJBWPKZML-NSHDSACASA-N 315.373 2.557 0 40 DFAB O=C(CCCOc1ccccc1F)Nc1ccnc2ccnn12 71888838 LXTZITMJCXZROK-UHFFFAOYSA-N 314.320 2.666 0 40 DFAB COc1ccccc1CC(=O)N1CCCC[C@@H]1Cn1cccn1 71864987 RGQOBQGPFBBXHQ-MRXNPFEDSA-N 313.401 2.516 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c(OC)c1 71818706 IMZYJOFSEOVGMY-INIZCTEOSA-N 314.385 2.938 0 40 DFAB CCN(C[C@@H](C)C(=O)O)C(=O)c1sc(C)cc1OC(F)F 95970625 HASUAUXOTYPCFI-SSDOTTSWSA-N 321.345 2.841 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CCCC1 95946995 IVQVCUKODGBGAO-KRWDZBQOSA-N 300.402 2.581 0 40 DFAB CN(CC1(O)CCC1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 95940303 HMWCDVSHLHGFKI-MNOVXSKESA-N 311.784 2.956 0 40 DFAB O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cccnc1 75040705 KCECBRWYEGKBEK-UHFFFAOYSA-N 313.288 2.552 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CC2)COCCN1 306145861 SVNDQCUAFPFMKU-QGZVFWFLSA-N 304.390 2.795 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncccn1 27977114 GLALAWPGQRAYLC-UHFFFAOYSA-N 321.384 2.850 0 40 DFAB CC1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)C(F)(F)F)C1 409002475 NRHNSQQAANNIGB-LLVKDONJSA-N 322.233 2.795 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccccc2)cc1 39522842 AIQFAEATHFMBPG-HNNXBMFYSA-N 311.381 2.899 0 40 DFAB CCCCCCNC(=O)CC1(Cn2cnnn2)CCCCC1 36365818 KJJUYDFTCAXAGN-UHFFFAOYSA-N 307.442 2.710 0 40 DFAB COC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2Cl)C1 79091074 GEIRZBXIXWDBGQ-CYBMUJFWSA-N 310.825 2.945 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(C=O)s2)cc1 35587974 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O=C(Nc1ccsc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 96412495 BILJRNCNWDOQFB-ZDUSSCGKSA-N 300.383 2.735 0 40 DFAB COc1nn(C)c2c1CCCN(C(=O)Nc1cccc(F)c1)C2 96254481 QMMNHBSXKXBROF-UHFFFAOYSA-N 318.352 2.548 0 40 DFAB O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1nc(C2CC2)no1 583651140 HWQRKTWTROKBCG-UONOGXRCSA-N 313.357 2.597 0 40 DFAB CCN1C[C@H](COC)[C@]2(CCN(Cc3sccc3C)C2)C1 96220210 OZGPMADUMVFMDR-NVXWUHKLSA-N 308.491 2.847 0 40 DFAB Cc1c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)nnn1C 333303246 JDNCFXMVUKCENM-CYBMUJFWSA-N 303.341 2.632 0 40 DFAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccco2)cn1 96069868 AGXDPCMRLDCAFR-ZWKOTPCHSA-N 315.417 2.625 0 40 DFAB CC(C)c1ncc(NC(=O)c2cc(F)c(F)c(O)c2F)cn1 390833754 MMQBYJDXYJKRLL-UHFFFAOYSA-N 311.263 2.975 0 40 DFAB Cc1ccc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 575420879 KQZFWJUADHDSAL-INIZCTEOSA-N 319.426 2.777 0 40 DFAB COCCSCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 47428733 NSEXZETXFGVAGD-UHFFFAOYSA-N 309.218 2.894 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCSc2ccccc21 47869307 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CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCc2ccccn2)C1 96455379 MXYVLDJECSTSRL-OAHLLOKOSA-N 305.422 2.565 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 97231354 CSHSIVPDIHBJRS-GMBSWORKSA-N 313.397 2.604 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21 95404665 MEEAUZJRGQUXPE-DDVAMESESA-N 320.458 2.768 0 40 DFAB Cc1c(CNC(=O)N[C@H](C)Cc2cccc(Cl)c2)cnn1C 95442687 JJKBYQROHYJBTI-LLVKDONJSA-N 320.824 2.812 0 40 DFAB COc1cccc(NC(=O)Nc2ccccc2-c2nnn[nH]2)c1 97105450 NHSYTQHDEXBYHN-UHFFFAOYSA-N 310.317 2.519 0 40 DFAB Fc1cccc2c1CC[C@H]2Sc1nnnn1C1CCOCC1 96447782 ZKTRVYDJEAZSPX-CQSZACIVSA-N 320.393 2.943 0 40 DFAB CC[C@H](NC(=O)CCCNC(=O)OC)c1ccc(F)cc1F 96413853 FVARPPKRNRHWFU-ZDUSSCGKSA-N 314.332 2.668 0 40 DFAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1cc2ccccc2[nH]1 96450724 FQVZKTQIIUGYRQ-GOEBONIOSA-N 304.415 2.544 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)NC1Cc2ccccc2C1 97377407 QZCRJBOCWNJQTO-LLVKDONJSA-N 313.401 2.689 0 40 DFAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)N4CCCC4)[C@H]32)Oc2ccccc21 248073060 YUBLAKCRLAIHHY-DOEAQHAXSA-N 311.381 2.669 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 252586438 QCIVXYPQGJKXEL-GVXVVHGQSA-N 309.312 2.534 0 40 DFAB CCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1 42717957 VFCPKEJUAZEVDH-UHFFFAOYSA-N 303.189 2.544 0 40 DFAB O=C(C1CCC(F)(F)CC1)N1CCCC[C@H]2CNCC[C@H]21 257223553 DXXCGLDKJHSCHR-UONOGXRCSA-N 300.393 2.803 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1cccc(OC)c1 298086789 FWIXTFOTOIKKQA-AWEZNQCLSA-N 320.433 2.644 0 40 DFAB COc1nc(C)nc(N(C)c2cccc(Br)c2)n1 95915541 XCGFSRJJTAMCHT-UHFFFAOYSA-N 309.167 2.719 0 40 DFAB Cc1nc(C(=O)N2CC[C@@H](n3cnc4ccccc43)C2)cs1 575616195 HUUYAPUNGYXMRI-GFCCVEGCSA-N 312.398 2.888 0 40 DFAB Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 76909321 UAVDAIKQUFDTOT-ZDUSSCGKSA-N 302.403 2.989 0 40 DFAB O=C(NCC1(c2ccccc2F)CC1)N1CC[C@@]2(CCOC2)C1 89813363 ZEYOIXNPGJBPOO-QGZVFWFLSA-N 318.392 2.679 0 40 DFAB COc1ccccc1CNC(=O)c1c(OC)cccc1OC 5515106 AWWQUDWNMSXZSB-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(C2CCCCC2)C1 15674492 SDKMNLAUBLTLCJ-CABCVRRESA-N 314.389 2.572 0 40 DFAB biogenic,in-vitro Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cnccn3)C2)s1 19560053 DYUWVMQDZMXKOY-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB COC1CCN(C2CCN(C(=O)Nc3ccccc3)CC2)CC1 206766410 XMPIPEAKIURBBF-UHFFFAOYSA-N 317.433 2.794 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C(=O)Nc3ccccc32)C1 100130887 KRXBVSHIOQCWIO-FZMZJTMJSA-N 302.374 2.979 0 40 DFAB in-vitro C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1nc(-c2ccccc2)no1 530179552 LPKWJJLSRBAVQW-RYUDHWBXSA-N 315.373 2.810 0 40 DFAB O=c1c2ccccc2nnn1COc1cccc2ccccc12 3329499 DYVHUBHAUNMYET-UHFFFAOYSA-N 303.321 2.981 0 40 DFAB Cc1nnc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)c2ccccc12 1889125154 SIGQTLDQMGOPCR-GASCZTMLSA-N 308.429 2.859 0 40 DFAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)[C@@H]1CC=CCC1 244909777 AVBHEXLGUGPSLI-GDBMZVCRSA-N 320.458 2.842 0 40 DFAB O=C(O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 425229 VXXLIOIHIURFSO-UHFFFAOYSA-N 318.398 2.950 0 40 DFAB Cc1nc(N2CCN(c3ccccc3C)CC2)c2ccncc2n1 2298065705 MMBPSQUVXVGIHC-UHFFFAOYSA-N 319.412 2.968 0 40 DFAB O=C(NC[C@@H](O)c1ccoc1)c1ccccc1Br 75171742 XQMINRHSWBIKKX-GFCCVEGCSA-N 310.147 2.506 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2C(N)=O)cc1 55551011 URGICEXXBZVVOC-ZHACJKMWSA-N 316.382 2.507 0 40 DFAB O=C(Cc1cccs1)Nc1cccc(CN2CCOC2=O)c1 40121480 IWCRXNMUVXZZRK-UHFFFAOYSA-N 316.382 2.882 0 40 DFAB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccco2)cc1 173282 BKGVNTNREZYTSI-ZDUSSCGKSA-N 303.314 2.624 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 20732157 SIWWPBAPGIXOCA-YOEHRIQHSA-N 309.369 2.548 0 40 DFAB C[C@@H](C(=O)N1CCCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 52247973 VYNQPOOEZTYHKE-BBRMVZONSA-N 322.836 2.724 0 40 DFAB Cn1ccnc1[C@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 41205450 VTGHNXUSQCOZNT-CQSZACIVSA-N 314.776 2.921 0 40 DFAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 32912979 SYWHEOJELFVJBZ-ZDUSSCGKSA-N 321.396 2.938 0 40 DFAB CCc1nnc(NC(=O)c2cc(=O)c3cc(F)ccc3o2)s1 21807443 NRWJENZVKSMHMS-UHFFFAOYSA-N 319.317 2.598 0 40 DFAB CN1c2ccccc2C(=O)N[C@@H]1c1cnn(-c2ccc(F)cc2)c1 102938016 JRZIOUKZJNHEAA-KRWDZBQOSA-N 322.343 2.890 0 40 DFAB O=S(=O)(Cc1noc2ccccc12)NCc1ccsc1 97082103 NKAQKVDFKSJEKV-UHFFFAOYSA-N 308.384 2.509 0 40 DFAB O=C(c1ccco1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 269911 MLZOQSJEXLROFX-NOZJJQNGSA-N 316.279 2.923 0 40 DFAB O=C(Nc1ccc(O)cc1F)c1ccnc(OCC(F)F)c1 97238712 FELSTINZDLGFNX-UHFFFAOYSA-N 312.247 2.823 0 40 DFAB COc1ccc([C@H]2OC3=Nc4ccccc4N[C@@H]3C2=O)cc1OC 1588555 HDGIXWOCASFWDK-NVXWUHKLSA-N 324.336 2.869 0 40 DFAB CCOC(=O)CCc1c(C)c2cc(C(C)=O)c(O)cc2oc1=O 1705131 JNJCEYWMBBUVFR-UHFFFAOYSA-N 318.325 2.505 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 22285044 BJHHVKKNFCGGDW-ZDUSSCGKSA-N 320.414 2.521 0 40 DFAB Cc1ccoc1C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 79018783 SADGZQXHDPFKKK-GFCCVEGCSA-N 308.378 2.669 0 40 DFAB O=C(O)[C@H](c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1 2527389 HRGJPQKVHPAVSZ-HNNXBMFYSA-N 320.776 2.881 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@@H]2O 4081390 KPTQFNUKAKVGSS-NUUIFJIESA-N 306.446 2.643 0 40 DFAB biogenic Cc1cc(C)c([C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C 4299288 YAXOYXIPUZHQDL-KBPBESRZSA-N 323.389 2.623 0 40 DFAB Cc1ccc([C@@H](C)n2cc(C(=O)NCc3ccncc3)nn2)cc1 4929364 QJEDXSCCONJFDR-CQSZACIVSA-N 321.384 2.521 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1ccc(CN2C(=O)CCC2=O)cc1 23054634 WHMRLJHETVDXHK-ZDUSSCGKSA-N 312.369 2.630 0 40 DFAB COc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cn1 12543518 IASMBZCTEXIRJT-ZDUSSCGKSA-N 304.733 2.686 0 40 DFAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO 8635307 XRRNNBPAQKGYSV-XHSDSOJGSA-N 303.450 2.638 0 40 DFAB biogenic,in-vitro CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H]1Cc1ccccc1 42660079 GMWVCPRBURLNMJ-INIZCTEOSA-N 316.445 2.773 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 12552002 FFEGZYPQYRPNDV-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)NCc3ccccc3)cc2NC1=O 25094930 DDZNOFVWIVPPQG-LLVKDONJSA-N 311.341 2.728 0 40 DFAB CCCCOc1ccc(NC(=O)C(=O)NCCC(C)C)cc1 9232663 KWIFHQJRYQCKKU-UHFFFAOYSA-N 306.406 2.966 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)NCc1ccc(C)cc1 44180076 KDTZQOFAHXNWGG-UHFFFAOYSA-N 311.385 2.605 0 40 DFAB Cc1cc(C)cc([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)c1 97108014 HQSZOTRYSPYOOO-HNNXBMFYSA-N 310.397 2.930 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@@H](C)CC3CC3)cc2)CC1 97162205 CPANAQYJYVGQSA-HNNXBMFYSA-N 315.461 2.951 0 40 DFAB CC(C)CNC(=O)C1CCN(C(=O)Nc2ccccc2F)CC1 12758466 DIHYXBYTIRXHNS-UHFFFAOYSA-N 321.396 2.842 0 40 DFAB CCCCCC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 58168212 YGIIZPHUTBYKGW-MRXNPFEDSA-N 317.433 2.655 0 40 DFAB COc1ccc(C(=O)N2CCOC(C)(C)C2)cc1OC(F)F 58265024 OFPIGGLCLORRQU-UHFFFAOYSA-N 315.316 2.548 0 40 DFAB CC(C)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3309275 KFELTZRCWWYULJ-UHFFFAOYSA-N 304.173 2.922 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccs1 45725289 BBQREJUMKXCVEJ-SNVBAGLBSA-N 303.387 2.659 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)[C@@H](C)OCC2CC2)cc1 60323863 IHJZWKVDWMHZRV-UONOGXRCSA-N 305.418 2.900 0 40 DFAB O=C(CSc1nc2ccccc2o1)NC(=O)NC1CCCC1 2624372 YUQIWPPXMZQJMM-UHFFFAOYSA-N 319.386 2.688 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)c2cc(Cl)ccc2Cl)C1 62912789 HHWQDVXBRKAFHV-ZDUSSCGKSA-N 302.157 2.930 0 40 DFAB O=S(=O)(Nc1nccs1)c1cc(-c2ccno2)cs1 49549216 XDIDCYGCMTUMGH-UHFFFAOYSA-N 313.385 2.660 0 40 DFAB CCOCCN(C)C(=O)Nc1cccc2c1CCN(CC)C2 93343082 JBGNBRJTSBOQDK-UHFFFAOYSA-N 305.422 2.565 0 40 DFAB CCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 4487972 JLJIPUNQFGFFAU-UHFFFAOYSA-N 324.427 2.689 0 40 DFAB CC[C@H](C)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 65576885 PFXVWHWVRGRCKU-HNNXBMFYSA-N 324.428 2.838 0 40 DFAB O=C1OCC2=C1[C@H](c1ccc(O)cc1)CC(=O)N2c1ccccc1 5325159 CQZFAKYGSKGRDV-HNNXBMFYSA-N 321.332 2.724 0 40 DFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CCSCC 65613201 QKKKAOJEFQBDSL-UHFFFAOYSA-N 324.446 2.507 0 40 DFAB Cc1ccc(C)c(NC(=O)Cn2ncc3ccccc3c2=O)c1 5453191 POZIFOSWOMKUDN-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cc(C)no1)c1ccc2ccccc2c1 96009015 DPEDEAJCCMDKQO-INIZCTEOSA-N 324.336 2.780 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(N)c1C 19736296 IIANAKLRAAAHRK-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB CSc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 6794444 MJDOHKQFOINSOC-HWKANZROSA-N 321.383 2.641 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nccn2C)c1C 4804922 SBJNPIBEYFYNJU-JTQLQIEISA-N 321.402 2.515 0 40 DFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)on2)cc1 9313520 RIJFCXDOLOUTDK-OAHLLOKOSA-N 315.373 2.767 0 40 DFAB Cc1ccc(-n2nc(C(N)=O)nc2-c2ccc(Cl)cc2)cc1 408696300 ZLOYPIMQLXUMMT-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 6919621 KOPTYCRLCGXRED-UHFFFAOYSA-N 303.383 2.985 0 40 DFAB COCCCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 5937266 TXNZJTCLQMFUTL-UHFFFAOYSA-N 317.385 2.843 0 40 DFAB Cc1cc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)[nH]1 93795235 IFUQMJMOCGUPHF-UHFFFAOYSA-N 309.410 2.570 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC(c2ccccc2)=NO1 67515809 AGXHDVLWRJDULZ-JQHSSLGASA-N 306.365 2.852 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccnc2)c1C 7548760 KGRSRFWYMQPJNG-GFCCVEGCSA-N 314.341 2.657 0 40 DFAB O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccoc1 68362127 WFMCQXZKPUOVHV-CYBMUJFWSA-N 320.345 2.573 0 40 DFAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCCCCC1 7754240 LLNASIXUSCGVME-ZHACJKMWSA-N 310.401 2.742 0 40 DFAB C[C@H](Nc1ncnc2sccc12)[C@H](O)c1ccc(O)cc1 7982136 XLVOCDGRVHJEAH-ZANVPECISA-N 301.371 2.931 0 40 DFAB CCCCN(CCO)C(=O)Nc1ccc(OC)c(Cl)c1 69377275 DAMBPITWBCFPQV-UHFFFAOYSA-N 300.786 2.975 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2ccco2)n1 71870073 PLTVTEWUUGGBAH-OAHLLOKOSA-N 301.390 2.717 0 40 DFAB CSc1ccc(Cl)c(C(=O)NCc2nncn2C2CC2)c1 71882362 CAJJSRMWCXITDF-UHFFFAOYSA-N 322.821 2.918 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](n2ccnc2)C1 69662337 IALPMGUDNQCXQU-NVXWUHKLSA-N 313.401 2.652 0 40 DFAB CCc1ncc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2CC)s1 69665070 UTIOZQJQHOZKGD-STQMWFEESA-N 307.463 2.794 0 40 DFAB O=C(CCCOc1ccccc1)N1CCC[C@H]1Cn1cccn1 69968125 CHGLGKLWXKXUHN-INIZCTEOSA-N 313.401 2.733 0 40 DFAB Cc1noc(C)c1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O 71900643 YVIAJJJJWSSHHR-MRXNPFEDSA-N 317.364 2.668 0 40 DFAB Cc1cnn(CCC(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)c1 71902912 AYHVRBNQTSLXQS-SJORKVTESA-N 313.401 2.698 0 40 DFAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1c(C)n[nH]c1C 92348985 QDJJNJHDTQJIGF-FZQKWOKYSA-N 308.426 2.988 0 40 DFAB COc1ccc(CNc2cc(CN(C)C)ccn2)cc1OC 95428437 CUODMSSDLRXFGH-UHFFFAOYSA-N 301.390 2.773 0 40 DFAB CC(C)Oc1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)cc1 95457736 UUIAZIRMVVESDS-FUHWJXTLSA-N 305.418 2.902 0 40 DFAB Cn1c(=O)oc2ccc(Nc3nccc(C(F)(F)F)n3)cc21 95402534 SPPSSPQRZIZBMV-UHFFFAOYSA-N 310.235 2.684 0 40 DFAB CC[S@](=O)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 95431228 JHYJZTSEWRGSDN-HUTHGQBESA-N 318.236 2.853 0 40 DFAB Cc1cncc(C(=O)O[C@@H](C)c2ccc(-n3cncn3)cc2)c1 95426581 NBCQVMNKJWTYAM-ZDUSSCGKSA-N 308.341 2.889 0 40 DFAB CC1(C)C[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C(C)(C)O1 95423918 FXEQOBIIXZZLOA-GJZGRUSLSA-N 308.466 2.713 0 40 DFAB O=C(NCC(F)(F)F)N(CCCO)[C@@H]1CCc2ccccc21 75139268 MJBISUIYUZCYBN-CYBMUJFWSA-N 316.323 2.630 0 40 DFAB O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)N(CCO)C1CC1 89857732 NOGJIUUMEPYCDV-HNNXBMFYSA-N 316.401 2.599 0 40 DFAB Cc1ccc([C@@H](CNCc2cccnc2)N2CCOCC2)s1 75603933 COPOVDLJTCBOHS-MRXNPFEDSA-N 317.458 2.615 0 40 DFAB O=C(NCCN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 129212002 CYDAGAGUCKAIHU-MNOVXSKESA-N 304.312 2.720 0 40 DFAB Cc1ccccc1CSc1nnc(SCC(N)=O)s1 35767422 FIINHTUZCQCTIX-UHFFFAOYSA-N 311.457 2.716 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cccc(C(F)F)c1 77697769 ONDWEMDMVSWLRV-LLVKDONJSA-N 304.362 2.860 0 40 DFAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2)n1 72361996 LYDGJYWDUWFREE-OAHLLOKOSA-N 318.398 2.970 0 40 DFAB Cc1ncsc1C(=O)O[C@@H](C)c1ccc(-n2cncn2)cc1 76910740 UQNORVXGAYIDLY-NSHDSACASA-N 314.370 2.950 0 40 DFAB Cc1nc(Nc2ccccc2)cc(N2CCC(C(=O)O)CC2)n1 217360334 HEFHBUKSZQXANP-UHFFFAOYSA-N 312.373 2.830 0 40 DFAB O=C(NCCc1ccccn1)Nc1ccc(NC(=O)C2CC2)cc1 78256057 PMEIQSDPJKBIQP-UHFFFAOYSA-N 324.384 2.794 0 40 DFAB Cc1onc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1C(=O)O 571931973 YDTMZFYEEDUMFA-ABAIWWIYSA-N 316.357 2.643 0 40 DFAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC 223724946 LULPWTZRTCRGEN-GFCCVEGCSA-N 310.825 2.993 0 40 DFAB C[C@]1(C(=O)NCc2cccs2)Sc2ccccc2NC1=O 40774141 HVKFANPIZYEPMP-OAHLLOKOSA-N 318.423 2.867 0 40 DFAB COc1cccc(-c2nnsc2C(=O)NCc2ccco2)c1 225765018 MEVUGGSURKOLBS-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB Cc1cccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)n1 191903502 OSILUKWNACVMAT-UHFFFAOYSA-N 316.835 2.892 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCCCCC1=O 227115717 HHXPADAIAXDKOK-ZDUSSCGKSA-N 304.390 2.733 0 40 DFAB O=C(c1ccncc1O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89892604 RQCVWBFHKONFET-CYBMUJFWSA-N 318.760 2.734 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(C)c(C)o2)cc1C 331101350 FYXATUVRXCBDOZ-UHFFFAOYSA-N 308.403 2.729 0 40 DFAB CCN1CC[C@@H](N(C)C(=O)c2cc3cccnc3[nH]2)C[C@H]1C 334125360 OUYMUITYVCLYKS-TZMCWYRMSA-N 300.406 2.508 0 40 DFAB CN(C)CCn1ccc2cc(NC(=O)NCCCF)ccc21 95426826 UKRFRLNSEIJMOI-UHFFFAOYSA-N 306.385 2.684 0 40 DFAB CN(CCOc1ccccc1Br)C[C@H]1CCOC1 93792711 YHSJKZXYCYUJPH-GFCCVEGCSA-N 314.223 2.796 0 40 DFAB Cc1[nH]ccc1C(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 95408744 ODMLOSUMZFOUHX-TZMCWYRMSA-N 321.421 2.746 0 40 DFAB O=C(OCCn1cncn1)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404841 RGTKRQSMIBXIOP-IAGOWNOFSA-N 307.353 2.778 0 40 DFAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cnn(C)c1 96403522 QUPHKXUWZSAGGX-SECBINFHSA-N 313.279 2.845 0 40 DFAB O=C1CCC(=O)N1Cc1csc(Nc2c(F)cccc2F)n1 96124540 VIFDFBYBWRWZFQ-UHFFFAOYSA-N 323.324 2.814 0 40 DFAB CC[C@@H](C(=O)N(C)C[C@H]1CCN(C)C1)c1ccc(OC)cc1 96492878 DSHAIKMWMGMPRU-WMLDXEAASA-N 304.434 2.599 0 40 DFAB c1cncc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)c1 96046514 LWGJFEQDTMDJGT-UHFFFAOYSA-N 322.456 2.965 0 40 DFAB c1csc(SC[C@@H]2CN=C(N3CCOCC3)S2)c1 96409770 ZZWCHABEZCIIHN-JTQLQIEISA-N 300.474 2.644 0 40 DFAB CN(Cc1cnc2ccc(Br)cn12)C[C@@H]1CCOC1 93839668 AOARQMXWLDWAKN-NSHDSACASA-N 324.222 2.565 0 40 DFAB O=C(CCc1ccc(Cl)cc1)NCCn1cnnc1C1CC1 96412674 QXYZWOKQCBDSPT-UHFFFAOYSA-N 318.808 2.558 0 40 DFAB CCOC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn2C1 96207692 JTDXKZQZBIUFTH-INIZCTEOSA-N 317.433 2.769 0 40 DFAB CCc1ncc(NC(=O)c2cc(O)nc3ccc(F)cc23)cn1 437518236 WQQIWUYIHYPZBF-UHFFFAOYSA-N 312.304 2.684 0 40 DFAB CCN1CCC(N2CC[C@H](c3cc(NC)cc(C)n3)C2)CC1 257327479 XBMVUGJUAVDSNJ-HNNXBMFYSA-N 302.466 2.705 0 40 DFAB C[C@@]12CC[C@@H](O)C[C@@H]1[C@@H](O)C[C@H]1[C@H]2CC[C@]2(C)C[C@H](O)C[C@H]12 257346373 ZAWMFAFHPALWCD-BHVSZXAESA-N 308.462 2.722 0 40 DFAB C[C@@H](NC(=O)c1cc2ccc(Cl)cn2n1)c1cccnc1 257245619 IQINSBLTVOPSNS-SNVBAGLBSA-N 300.749 2.874 0 40 DFAB Cc1cc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)ccn1 257320014 VUZIRDNZBXIUTR-CQSZACIVSA-N 317.414 2.677 0 40 DFAB O=C(NCCC1CSC1)C1(c2cccc(F)c2)CCOCC1 569848031 BPSTYOYLDWAKJP-UHFFFAOYSA-N 323.433 2.743 0 40 DFAB COc1ccnc(NCCc2cc(Cl)c3c(c2)OCCO3)n1 25057644 QICNQQLODQDHCI-UHFFFAOYSA-N 321.764 2.564 0 40 DFAB CCc1[nH]c(C(=O)NOCc2ccccc2)c(C)c1C(=O)OC 25038222 CGVCLDSIFYTRDQ-UHFFFAOYSA-N 316.357 2.534 0 40 DFAB c1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccoc2)C3)nc1 585104422 IGFZNBRLRFKXNZ-MRXNPFEDSA-N 316.426 2.951 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc(C)cn2)C12CCCC2 71920760 VNGANJGIPGCXNB-CABCVRRESA-N 303.406 2.595 0 40 DFAB CCCCCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl 36694888 PZXBMAJVPLHCFP-UHFFFAOYSA-N 303.811 2.664 0 40 DFAB CCOCCO[C@H](C)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 57502784 YCJSELWJCLYOKQ-PBHICJAKSA-N 323.408 2.801 0 40 DFAB COc1cc(N2CCN([C@H](C)c3ccccc3)CC2=O)ccn1 1776007715 ASWJAUBXYUJQCG-CQSZACIVSA-N 311.385 2.500 0 40 DFAB Cc1cc(C)nc(-n2cc(C(=O)OC3CCCC3)c(C)n2)n1 76877851 ABALMFKGESAKAW-UHFFFAOYSA-N 300.362 2.687 0 40 DFAB O=C(Nc1ccc(Cn2cccn2)cc1)N[C@@H]1CCCSC1 79014520 XLFPTSPQNHUDFH-OAHLLOKOSA-N 316.430 2.949 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CN[C@@H](C)Cn2cnc(C)c2C)n1 93398708 BNVGKPKGDSKECI-JSGCOSHPSA-N 303.454 2.628 0 40 DFAB O=C(CSCc1ccccc1)N[C@H]1CCC12CCOCC2 585408170 HQQJXOSSZWAKDP-HNNXBMFYSA-N 305.443 2.995 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1 5785370 PUSPYEMTIVKZCT-UHFFFAOYSA-N 315.325 2.586 0 40 DFAB CCOC(=O)/C(=C\c1ccc(C(=O)OC)cc1)N(CC)CC 5807508 OYJBPOYZDVQSCS-NTCAYCPXSA-N 305.374 2.719 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 5817247 IAZFCLJLGSILNX-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB Cc1ccc(CNC(=O)c2nnn(-c3ccccc3)c2C)cc1 12274312 HOXOSVNGEYEKEW-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 12556996 YYGGQDMNHMQAPN-UHFFFAOYSA-N 323.395 2.908 0 40 DFAB O[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(Cl)cc2)C1 15674777 IQWDRYPDOPIRNX-KGLIPLIRSA-N 319.792 2.908 0 40 DFAB biogenic,in-vitro COc1ccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c2c1 15973884 ZRNTVSGIYXEDEC-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB O=C(CCc1ccccc1F)N1CC(Cn2cc(Cl)cn2)C1 1848739285 WCHTYGYJWKUSFJ-UHFFFAOYSA-N 321.783 2.767 0 40 DFAB CN(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cn1 20403372 MJMLJKZJQWEMOG-UHFFFAOYSA-N 309.325 2.506 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1F 22189503 XDSCJTAYEMUICH-UHFFFAOYSA-N 315.348 2.618 0 40 DFAB Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1 53403 YWDNWKKOPGABAX-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB CCCN1C[C@@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 100174954 NDSKNSYQFVBUKC-WMLDXEAASA-N 303.450 2.730 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCc2ccccc2C1 10449423 MLMMDWWPJWTDMC-UHFFFAOYSA-N 309.337 2.712 0 40 DFAB O=c1[nH]ncc(NCc2ccccc2CN2CCCC2)c1Cl 40468613 XZTKVSJUHPJOLW-UHFFFAOYSA-N 318.808 2.631 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(C)s1 40553741 HSJLAMHYDSPWDH-CYBMUJFWSA-N 316.430 2.554 0 40 DFAB CCCCN(CC)C(=O)Nc1cccc(NC(=O)COC)c1 40526956 WHBOCUZETNMRBQ-UHFFFAOYSA-N 307.394 2.925 0 40 DFAB COc1cc2nc(NC(=O)c3cccnc3)sc2cc1OC 21559001 YHNIHWZYZFNJQW-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)C(C)C 32911694 CDTHEKXEBHTVEC-BXUZGUMPSA-N 310.369 2.774 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1CC 413218 BJXWCWXPFHMRGJ-UHFFFAOYSA-N 308.407 2.519 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)Nc2ccccc2F)cc1 575872 SYIWRXHCIPXSTF-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 582515 NBIMFTNPONDWPT-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 8849161 AFZTTZDDMZHHQZ-JGVFFNPUSA-N 312.163 2.815 0 40 DFAB COc1ccc2[nH]c3c(N4C[C@H](C)O[C@@H](C)C4)ncnc3c2c1 520343 MLRGEVJLYZMGCW-QWRGUYRKSA-N 312.373 2.733 0 40 DFAB CC(C)[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccccc1 1380992 WPBDQYROWADUNT-OAHLLOKOSA-N 301.342 2.777 0 40 DFAB COc1ccc(Cl)cc1CN1CCn2c(nnc2C2CC2)C1 78788058 SFRUIBCHUDCWJH-UHFFFAOYSA-N 318.808 2.833 0 40 DFAB CCOC(=O)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 1621913 IUTUDKMGBFWYHK-JKSUJKDBSA-N 323.348 2.523 0 40 DFAB Cc1cnc(CCNC(=O)Nc2cccc([S@](C)=O)c2)s1 78937449 BDDJMFNYIKODSP-OAQYLSRUSA-N 323.443 2.553 0 40 DFAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@@H]2CCC[C@@H]21 53384055 GHUALIWBEFLWQK-NWDGAFQWSA-N 304.371 2.797 0 40 DFAB CC(C)(C)CC(C)(C)NC(=O)CSc1ncnc2nc[nH]c12 3908840 WXAZNUAUMPKEOY-UHFFFAOYSA-N 321.450 2.776 0 40 DFAB biogenic,in-vitro CC[C@@H]1C[C@H](C(=O)N[C@@H](c2ccn(C)c2)C(F)(F)F)CCO1 97054983 VYMATKZBYLXLOK-RTXFEEFZSA-N 318.339 2.950 0 40 DFAB CCN1CCC[C@H]1CNC(=O)CCc1cn(C)c2ccccc12 3049315 XHATZRFPMFREQV-INIZCTEOSA-N 313.445 2.711 0 40 DFAB O=C(O)C[C@H](CC(=O)NCCc1ccccc1)c1ccccc1 57655486 RDSCEKSKHYGUDH-KRWDZBQOSA-N 311.381 2.994 0 40 DFAB Cc1noc(C2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)n1 54664101 DLECYDBYVSXDOS-QPJJXVBHSA-N 315.348 2.937 0 40 DFAB CC[C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 48081030 MKENIMAUHFYXNY-AWEZNQCLSA-N 318.421 2.572 0 40 DFAB O=C(NCc1cccc(COc2ccccc2)c1)c1cnccn1 55991013 VLHQKCPEOWPLHN-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB CN(Cc1cccc(C(N)=O)c1)Cc1ncc(C(C)(C)C)o1 56514567 HGPZQKUZAAXHLM-UHFFFAOYSA-N 301.390 2.703 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(C(C)C)n1)C2 72282649 FELRIBOZWBSBSE-NSHDSACASA-N 304.419 2.516 0 40 DFAB Cc1nc(C2(NC(=O)c3c(C)noc3C)CCCCC2)no1 26491550 TVKIJUNCVSDCPU-UHFFFAOYSA-N 304.350 2.572 0 40 DFAB O=C(NCCc1ccccn1)Nc1ccn(Cc2ccccc2)n1 48262483 YAVCHPYLSHYTER-UHFFFAOYSA-N 321.384 2.691 0 40 DFAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)cn2)cc1 26860516 BVQPEKYDGRTWTO-UHFFFAOYSA-N 303.749 2.875 0 40 DFAB COc1ccc(COC[C@@H](O)CN[C@H](C)CCC(C)C)cc1 10025449 IKHVAFPUDSRLBA-WBVHZDCISA-N 309.450 2.987 0 40 DFAB CC(C)(C)NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 3300673 LCZDGDQBHRRPQC-UHFFFAOYSA-N 318.200 2.994 0 40 DFAB CCCCS[C@H](C)C(=O)Nc1cc(-n2cnnn2)ccc1F 58227838 ZGTKDZWJLJESMD-SNVBAGLBSA-N 323.397 2.662 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(Nc2ccccc2F)s1 3301824 UJDKNBPDIJQERH-VIFPVBQESA-N 311.363 2.828 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](C)c1cc(F)ccc1F 58298527 OMXSOCXRGDZACV-MDZLAQPJSA-N 313.344 2.726 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@H]1CCCO1 27895816 UFNDBWCDHKXIHC-GXFFZTMASA-N 320.414 2.938 0 40 DFAB COc1ccc(S(=O)(=O)NCc2cc3ccccc3[nH]2)cc1 58341880 HZRCDYFDJOOCHM-UHFFFAOYSA-N 316.382 2.655 0 40 DFAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H]1CCCO1 27906593 PZCDIQCKUZIJTD-MEBBXXQBSA-N 303.337 2.513 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCc3ccccc31)C2 97198283 UHKFOEVQELWHOS-DOTOQJQBSA-N 309.413 2.743 0 40 DFAB CCCCOc1ccccc1/C=C/C(=O)NCCCC(=O)OC 62714953 JQINLKZVPSNGRO-VAWYXSNFSA-N 319.401 2.948 0 40 DFAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C)cc1 28614051 ULYDIBOFFBGZKT-UHFFFAOYSA-N 313.353 2.864 0 40 DFAB CCc1cc2c3c(c1)[C@@]1(NCCO1)C(=O)N3C(C)(C)C[C@H]2C 22238445 QCAYOGHBCBLICE-ZMZPIMSZSA-N 300.402 2.654 0 40 DFAB CCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)s1 28963182 OXXRACNISFINBE-UHFFFAOYSA-N 317.349 2.882 0 40 DFAB Cc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)on1 45651727 JLRYVQYOINEXFM-INIZCTEOSA-N 300.358 2.569 0 40 DFAB CC(C)CCNC(=O)CSc1nnc(-c2ccccc2)n1C 3506119 AOHJFUSXQFLBJI-UHFFFAOYSA-N 318.446 2.737 0 40 DFAB C[C@H](C(=O)NCc1cc(Br)cs1)n1cccn1 46258262 UVKWDQBKJYHLOD-MRVPVSSYSA-N 314.208 2.585 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)Cc2ccccc2C)cc1 12940107 ACMUVEJOIJGWEV-UHFFFAOYSA-N 311.381 2.983 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(F)cc1 2648877 FLBQZCXBFAMFJN-GFCCVEGCSA-N 313.328 2.960 0 40 DFAB COc1ccc(CN(c2cc(C)nc3ncnn23)C2CC2)cc1 12971765 RZLWCAGVQATJRO-UHFFFAOYSA-N 309.373 2.610 0 40 DFAB O=C(O)c1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1F 13001723 KVDXCPLXOFRVRW-CMDGGOBGSA-N 321.329 2.937 0 40 DFAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2O 19323702 OBEPTUYWDWWWKG-UHFFFAOYSA-N 304.434 2.569 0 40 DFAB biogenic CC(C)C(=O)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl 19315813 XQBOCEHLDXQRIK-SNVBAGLBSA-N 313.612 2.838 0 40 DFAB Cc1cc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)no1 5126906 IHHNHMYKRBDMBK-UHFFFAOYSA-N 318.373 2.681 0 40 DFAB C[C@H](O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)OCCO2 13946018 JHARIDMUXVUNBI-JTQLQIEISA-N 317.316 2.903 0 40 DFAB Cc1ccc(-n2ncc3c2ncn2c([C@H]4CCCO4)nnc32)cc1 5268493 VJXKYZZQENMYEA-CQSZACIVSA-N 320.356 2.623 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)c(O)c1 4580161 DYIWDTYLIZIWSM-NSHDSACASA-N 319.382 2.796 0 40 DFAB CCn1cc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c(C)n1 14226342 DOSHTVIRBDUQNO-UHFFFAOYSA-N 321.446 2.649 0 40 DFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 7055200 GUHZIYZFOWCCGD-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCCOCC2CC2)c1 95398022 FTHCEIRMYXFOKH-UHFFFAOYSA-N 302.418 2.752 0 40 DFAB CC(C)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 80595528 LNAOPISOBTVGSM-YHWZYXNKSA-N 311.426 2.625 0 40 DFAB COc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccn1C 7853685 ZKNMJVIUGRQZDY-MRXNPFEDSA-N 313.401 2.809 0 40 DFAB Cc1noc(C)c1N(C)CC(=O)NC1(c2ccccc2)CCC1 81601375 VSFSBBCSEVRCHJ-UHFFFAOYSA-N 313.401 2.923 0 40 DFAB COc1ccc(CNCCn2cc(C)cn2)cc1Br 70037053 GSNLEMQQEFHHJW-UHFFFAOYSA-N 324.222 2.752 0 40 DFAB CCCNC(=O)[C@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 16999217 UOPKUOJZTXAATN-LBPRGKRZSA-N 302.374 2.856 0 40 DFAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCN2CCC[C@@H]2C1 69387204 LIBUUNXEIGVVSW-LSDHHAIUSA-N 311.429 2.909 0 40 DFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccco1 8327216 TXWMRSFFEZMLNN-UHFFFAOYSA-N 321.760 2.953 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNCc1ccccc1CO 71825336 VGAIOVIPDNXEKU-UHFFFAOYSA-N 307.825 2.979 0 40 DFAB CCOc1ccc(OC)cc1NC(=O)CCn1cc(C)cn1 69515672 BTSUKXHSWWRQGW-UHFFFAOYSA-N 303.362 2.628 0 40 DFAB Cc1ccc(-c2nnc([C@@H](C)N3CCn4c(C)nnc4C3)o2)cc1 69531775 HSQIAINCWMPQKL-GFCCVEGCSA-N 324.388 2.522 0 40 DFAB Cc1oc(C)c(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1C 71829429 KUUOUZQEGSYKFZ-GFCCVEGCSA-N 320.433 2.530 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 69615719 ACQCKEMDGNPSMX-GFCCVEGCSA-N 324.371 2.733 0 40 DFAB COc1cccc2c1OC[C@H](NC(=O)NCc1cccs1)C2 69738116 INEVEBOALJSZOX-GFCCVEGCSA-N 318.398 2.560 0 40 DFAB C[C@H](NC(=O)c1ccc(NC=O)cc1)[C@H](C)Oc1ccccc1 95405624 JWQRYBIYXMCWEM-KBPBESRZSA-N 312.369 2.841 0 40 DFAB COc1cccc(CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 8708253 URDBZQJBMJABRL-GOSISDBHSA-N 310.353 2.662 0 40 DFAB C[C@H](C(=O)OCC1CCCCC1)N1C(=O)c2ccccc2C1=O 21365525 XFJDFOBQGBPXJV-GFCCVEGCSA-N 315.369 2.795 0 40 DFAB O=C(c1ccccc1[C@H]1CCNC1)N1CCOC2(CCCC2)C1 72133670 WPTXBLIAFHQPSS-HNNXBMFYSA-N 314.429 2.549 0 40 DFAB Cc1n[nH]c(SCC(=O)Nc2ccc(F)cc2NC(C)C)n1 73920556 SLYVTIXWBGGDFZ-UHFFFAOYSA-N 323.397 2.803 0 40 DFAB O=Cc1ccc(-n2ccnc(OCc3ccccc3)c2=O)cc1 85347871 QFGFAZOWOAURLB-UHFFFAOYSA-N 306.321 2.624 0 40 DFAB CCCc1noc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)n1 95984491 JSGQBOFEHMNXOQ-LLVKDONJSA-N 314.389 2.758 0 40 DFAB C[C@@H](CCO)C1(CNC(=O)Cc2noc3ccccc23)CCC1 95987107 DPXGQGCEIZHSHL-ZDUSSCGKSA-N 316.401 2.675 0 40 DFAB CCCCCS(=O)(=O)N[C@H]1CCOC2(CCCCC2)C1 95939998 VAELCPYQYCTVSS-AWEZNQCLSA-N 303.468 2.978 0 40 DFAB CCc1cc(N(CCN(C)C)C(C)C)nc(-c2ccncc2)n1 95945011 BKSSOOQPRMURQM-UHFFFAOYSA-N 313.449 2.877 0 40 DFAB CC(C)COc1cncc(N2CCC(n3ccnc3)CC2)n1 86181478 PWGGRWHPUZGLMM-UHFFFAOYSA-N 301.394 2.549 0 40 DFAB Cc1csc(C2CCN(C(=O)[C@]3(C)CCCCN3)CC2)n1 72367310 DATPYQITGDKNBK-INIZCTEOSA-N 307.463 2.690 0 40 DFAB Cc1ccc([C@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218524834 MGLAGQSVAHHARW-SQNIBIBYSA-N 315.438 2.818 0 40 DFAB O=C1c2ccccc2N=c2cc3c(cc21)=Nc1ccccc1C3=O 34476341 ZJDQEEYSMBGACW-UHFFFAOYSA-N 310.312 2.678 0 40 DFAB Cc1cccc(Cc2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)c1 72367807 NFSAURXRGSWNNK-QGZVFWFLSA-N 323.440 2.646 0 40 DFAB Cc1c(C(=O)N[C@@H](C)COCC(C)C)c(=O)oc2ccccc12 78708409 FYIYOVBGRXZRLV-LBPRGKRZSA-N 317.385 2.892 0 40 DFAB OC1CCN(Cc2ccc(CNCc3ccsc3)cc2)CC1 78553940 WKVLIJHLOFUBAX-UHFFFAOYSA-N 316.470 2.995 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCC2(CC1)OCCS2 70637249 BISSQLKOWUBQHP-UHFFFAOYSA-N 320.370 2.630 0 40 DFAB COc1cccc([C@@H](NC(=O)C2=CCCCO2)c2cccnc2)c1 73454464 RUCJZRSZBKCILV-GOSISDBHSA-N 324.380 2.990 0 40 DFAB Cc1ccc2[nH]cc(-c3nc(-c4ccncc4)no3)c(=O)c2c1 225197919 ZBHOAMAAOHNEBR-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F 195536806 QLWASURQNHVIED-SNVBAGLBSA-N 319.254 2.924 0 40 DFAB Cn1cnc2cc(C(=O)OCCc3ccc(F)cc3F)cnc21 195577054 PEJONDNQKWJEKH-UHFFFAOYSA-N 317.295 2.646 0 40 DFAB CCc1nc(CNc2cncc(-n3ccnc3C)n2)cs1 195575229 MRQWMILCESEEEU-UHFFFAOYSA-N 300.391 2.602 0 40 DFAB CCCCc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 197188079 PDBSLNJXIQZOJR-JJXSEGSLSA-N 315.369 2.622 0 40 DFAB CC(C)(C)C(=O)N1CCC(N[C@@H](CCO)C2CCCCC2)CC1 96486247 FWKSYQMUBFVEIG-KRWDZBQOSA-N 324.509 2.944 0 40 DFAB C[C@H](CNC(=O)NC1CCC(O)CC1)Sc1ccccc1 96431325 UHMKFPCXZROKEN-IYXRBSQSSA-N 308.447 2.770 0 40 DFAB C[C@H]1CCOCCN1C(=O)NCCCCN(C)c1ccccc1 91623437 LIRIRRWPPGJNQN-INIZCTEOSA-N 319.449 2.723 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(N)=O)sc1C 91014316 MTYQXMCXAMUYNH-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB CC(C)n1cc([C@H](C)Nc2ccc(N3CCOCC3)nc2)cn1 97232172 BIPVTDIFZYHQFC-AWEZNQCLSA-N 315.421 2.869 0 40 DFAB CC[C@](C)(NC(=O)c1cccnc1OC)c1nc(C)cs1 96423335 UWWJZAHUNASRRW-HNNXBMFYSA-N 305.403 2.910 0 40 DFAB C[C@@H]1OCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 90723609 AGLIWORZXFKCGN-KBXCAEBGSA-N 305.418 2.649 0 40 DFAB CC(=O)c1c(F)cccc1N1CCN(C2=NC[C@H](C)S2)CC1 96453747 UPPQGFDNJFYQQM-NSHDSACASA-N 321.421 2.642 0 40 DFAB c1cncc(NC[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)c1 247951085 YKDFBARVWSORPM-WBAXXEDZSA-N 313.401 2.766 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@@H]12 248085532 BCYPBELOXVVJNR-MJGOQNOKSA-N 310.397 2.768 0 40 DFAB Cc1cc(C)nc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257317430 VJSQTKRBAVDIPC-IJDCCNJMSA-N 323.396 2.707 0 40 DFAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1cccc2ccccc12 253405172 RYAZEKWBXRNZQY-JLSDUUJJSA-N 311.381 2.906 0 40 DFAB COc1cccc(Cc2cncc(C(=O)Nc3ccnn3C)c2)c1 257302698 SDYHGVHVLULYEX-UHFFFAOYSA-N 322.368 2.667 0 40 DFAB C[C@@H](C(=O)OCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 252004442 NXABHFCKMVARMM-GFCCVEGCSA-N 312.321 2.649 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cc1F 257221115 DNOJULXMMVBXQT-LBPRGKRZSA-N 317.364 2.652 0 40 DFAB CCc1nc(CN2CCN(c3ccc(O)cc3)CC2)cs1 29804007 JQMGZQWSAVRQNN-UHFFFAOYSA-N 303.431 2.733 0 40 DFAB CN(C)CCCN(CCCN(C)C)C(=O)Nc1ccccc1F 46438955 NSUQWUYNAOZZSY-UHFFFAOYSA-N 324.444 2.563 0 40 DFAB COC(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1 48354226 CIMPGAXUPISCDW-UHFFFAOYSA-N 300.314 2.501 0 40 DFAB CC(C)(C)n1nc(C(=O)NCCN2CCCCC2)cc1C1CC1 53212751 BOGDUWWRGKHPAR-UHFFFAOYSA-N 318.465 2.731 0 40 DFAB c1cnc2ncnc(N3CCC[C@H](COc4ccncc4)C3)c2c1 1776008328 BCKXFKCSACXQNR-AWEZNQCLSA-N 321.384 2.715 0 40 DFAB C[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC(C)(C)O1 75109087 UYJSIGXWSAKNRQ-GFCCVEGCSA-N 320.824 2.920 0 40 DFAB O=C(NCC1CCN(CC(F)(F)F)CC1)[C@H]1CC=CCC1 189283175 KULAWNCEEUZHAC-ZDUSSCGKSA-N 304.356 2.733 0 40 DFAB CC(=O)Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 333075 QEUQVGFKMXYPPU-LFIBNONCSA-N 307.305 2.956 0 40 DFAB CCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 569648 PVNFXFQKOMTHHV-UHFFFAOYSA-N 321.185 2.915 0 40 DFAB O=C(Nc1ccc(I)cc1)c1cnco1 224060014 TZUJMIFNPCKNET-UHFFFAOYSA-N 314.082 2.532 0 40 DFAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 5197696 HKAWCARYPULOGM-TVYUQYBPSA-N 308.378 2.532 0 40 DFAB COc1ccccc1C[C@H](C)NC(=O)c1cnc(SC)nc1 12197044 XBPKITJRDWWJDB-NSHDSACASA-N 317.414 2.568 0 40 DFAB COc1ccccc1C(=O)NC[C@H](c1ccsc1)N(C)C 13011201 RSAOZPGOLDPDIO-CQSZACIVSA-N 304.415 2.789 0 40 DFAB O=P(O)(O)[C@@H](NCCc1ccc(F)cc1)c1ccccc1 13004727 QUCSEHLKPFQEHP-OAHLLOKOSA-N 309.277 2.834 0 40 DFAB CC(C)Cn1c(CCNC(=O)CC[C@H](C)O)nc2ccccc21 16776806 MFIFYOJMLRWATE-AWEZNQCLSA-N 317.433 2.512 0 40 DFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCCC1 17320445 QWCITHDOKZADJR-UHFFFAOYSA-N 303.337 2.821 0 40 DFAB CC(C)(C)c1ccc(NC(=O)NCCN2CCC(O)CC2)cc1 206610462 VHQRBGYJFSKSKW-UHFFFAOYSA-N 319.449 2.562 0 40 DFAB O=C(C1CCN(Cc2cccnc2)CC1)N1CCC(F)(F)CC1 1848739541 DYLXJJXNYANRPB-UHFFFAOYSA-N 323.387 2.551 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC(=C2CC2)CC1 238887112 QEJJJZBGZDJNED-UHFFFAOYSA-N 300.358 2.811 0 40 DFAB Cc1nc2ccccc2nc1NCCCN1C[C@H](C)O[C@H](C)C1 30003845 WIXUZFKAVRGTGL-OKILXGFUSA-N 314.433 2.849 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 40526968 GLLZCVZVIAPNGJ-CHWSQXEVSA-N 319.405 2.781 0 40 DFAB C[C@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 32579501 BDBWDAGHOCZQKG-VIFPVBQESA-N 321.739 2.631 0 40 DFAB Cn1ccnc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 21236726 INOHSXOFUURSSO-UHFFFAOYSA-N 306.778 2.602 0 40 DFAB O=C(NCCCC(=O)N1CCC[C@@H]1c1cccs1)C1CC1 32700484 GCWAXYZDBLXMMX-CYBMUJFWSA-N 306.431 2.718 0 40 DFAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CCSC4)no1 32850529 ACLUNNIWRGDDMI-UHFFFAOYSA-N 319.411 2.592 0 40 DFAB COc1ccc2cc(C(=O)N[C@@H](C)Cn3ccnc3)c(C)nc2c1 52749792 RJNOVOFOPDPGGY-LBPRGKRZSA-N 324.384 2.567 0 40 DFAB Nc1nc(N)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 102751583 DMFXXSNBGRAMHA-GFCCVEGCSA-N 307.357 2.855 0 40 DFAB CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 144620 MNDWFIDXEIYGON-SNVBAGLBSA-N 320.414 2.679 0 40 DFAB O=C(NCCC1=CCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 219841 PQLPBSSZPGGVAU-HNNXBMFYSA-N 304.434 2.784 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1O 324880 HCGTUWMIHDHCJN-OAHLLOKOSA-N 301.298 2.691 0 40 DFAB Cc1ccccc1-c1nc2s/c(=C\c3ccccc3)c(=O)n2n1 525417 HOIPZPDBUPKMED-PTNGSMBKSA-N 319.389 2.674 0 40 DFAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(F)cc1 1238103 CKKJUKGTCFGMRI-UHFFFAOYSA-N 321.381 2.658 0 40 DFAB O=C(Nc1ccc(NC(=O)c2ccccn2)cn1)c1ccccc1 1353476 DOWVYGAXDUINPW-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB CN(C)C=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 1396523 UYIZNXAWOLXLJU-UHFFFAOYSA-N 309.369 2.709 0 40 DFAB O=C(O)[C@H](c1ccsc1)N1CCN(c2ccc(F)cc2)CC1 2527378 AAXZOCCYGLKPGR-HNNXBMFYSA-N 320.389 2.835 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2736972 NWESEKPSEOOZNV-NEPJUHHUSA-N 319.357 2.693 0 40 DFAB COC(=O)c1sccc1N/C=C1/C(O)=NN=C1C(F)(F)F 3210268 XNGLNPXDSRXINB-SNAWJCMRSA-N 319.264 2.719 0 40 DFAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCO2 3345175 CDDDCSOTWFFMEL-LBPRGKRZSA-N 310.353 2.805 0 40 DFAB Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1F 3496187 HSEOVCJFTFVRQW-UHFFFAOYSA-N 316.361 2.908 0 40 DFAB Cn1ccnc1SCC(=O)NCCc1ccc(Cl)cc1 4804359 RPMOAVUYMVPIFY-UHFFFAOYSA-N 309.822 2.525 0 40 DFAB CCCC(=O)Nc1cccn(Cc2cccc(OC)c2)c1=O 5000905 CDVNMDSXYHAZBJ-UHFFFAOYSA-N 300.358 2.644 0 40 DFAB CCC[C@H](NC(=O)CSc1nncn1C)c1ccccc1 5166520 IRRNJVPENUKRCP-ZDUSSCGKSA-N 304.419 2.565 0 40 DFAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C=O)cc1 5406009 ROQAZOBYDTYGHW-UHFFFAOYSA-N 311.337 2.857 0 40 DFAB O=C(O)CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O 5545033 NYIROINOJSTVEA-UHFFFAOYSA-N 303.701 2.564 0 40 DFAB COC(=O)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 6363998 JYGCZYFEAKRDFL-UHFFFAOYSA-N 316.357 2.723 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 9534758 URRDSLMFRDQRBK-JTQLQIEISA-N 311.407 2.729 0 40 DFAB Cc1cc(NC(=O)[C@H](Sc2ncn[nH]2)c2ccccc2)no1 9737265 WOWHYRMVLYFXEW-GFCCVEGCSA-N 315.358 2.573 0 40 DFAB CNC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1 9993606 NOQDVZKNFHZJAY-UHFFFAOYSA-N 314.410 2.918 0 40 DFAB Cc1oc(C)c(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c1C 10580997 RQSGDPBNEYAZCO-CQSZACIVSA-N 305.305 2.727 0 40 DFAB O=C(NCc1cccnc1)c1nc(-c2c[nH]c3ccccc23)no1 12325157 IDEBODOWSMDUCW-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB CCn1nc2nc(N3CCC(N)CC3)cc(C(F)F)c2c1C 12398912 VPQIDBAEYDCOAG-UHFFFAOYSA-N 309.364 2.625 0 40 DFAB Cc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1F 12414647 VKXRCXGMRDBJMR-UHFFFAOYSA-N 312.300 2.934 0 40 DFAB O=C(COc1ccccc1)NCc1ccc(Cn2cccn2)cc1 12626023 UHGBKCFYDAKXEI-UHFFFAOYSA-N 321.380 2.627 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(C)(=O)=O)c1 12749701 OPHGMLZULKQDMB-LBPRGKRZSA-N 315.394 2.682 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCCC1 13668472 IEMRJCHCNAJMJB-OAHLLOKOSA-N 306.475 2.910 0 40 DFAB COC(=O)C1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 13668522 YKJCBNDFKACXCR-ZDUSSCGKSA-N 321.442 2.720 0 40 DFAB O=C(Cc1ccc(NC(=O)c2ccccc2F)cc1)NC1CC1 13715853 DICGCOMBNUBVIN-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB COc1ccc(-c2nc(C)c(C(=O)N3CCOCC3)s2)cc1 14167315 RZKNUIVQQYOJQD-UHFFFAOYSA-N 318.398 2.600 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 14188250 QEGQYVMCPJIENL-UHFFFAOYSA-N 309.774 2.996 0 40 DFAB CCc1ccccc1NC(=O)CNC(=O)CCc1ccccc1 15557819 HPODVLHLUUNVGM-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB CCN(CC)Cc1c(O)nc(SCc2ccccc2)[nH]c1=O 19144973 VGIAIQTWKINIRA-UHFFFAOYSA-N 319.430 2.610 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 20145162 RMAOFNGPDFLJSS-RUDMXATFSA-N 313.309 2.751 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 22014817 RYQYYHZMPHEQEU-WBVHZDCISA-N 302.418 2.906 0 40 DFAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)c(O)c1 23638263 IEHKVILIQJKBAF-UHFFFAOYSA-N 324.424 2.967 0 40 DFAB Cc1ccc2oc(C(=O)Nc3ccc(N(C)C)nc3)cc(=O)c2c1 24097061 JPFBLYSSJHCTJH-UHFFFAOYSA-N 323.352 2.815 0 40 DFAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(-n2cncn2)cc1 25092767 LUDNYCVRUNBNJL-CQSZACIVSA-N 321.384 2.828 0 40 DFAB O=C(Nc1ccncc1)c1ccc(Cn2cc(Cl)cn2)o1 28224846 PSTPDBTUXFGWFA-UHFFFAOYSA-N 302.721 2.825 0 40 DFAB Cc1ccccc1CNCc1ccccc1S(=O)(=O)N(C)C 30657936 XUUNYWCQNMWUHY-UHFFFAOYSA-N 318.442 2.535 0 40 DFAB CCOc1cc2c(cc1NC(=O)c1cc(C)no1)O[C@@H](C)C2 32842477 COZSDNOBJSNJBK-JTQLQIEISA-N 302.330 2.957 0 40 DFAB CCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1 36612676 LZNSRLFCSIWUKC-UHFFFAOYSA-N 301.371 2.607 0 40 DFAB CSc1nnc(SCC(=O)c2ccc(O)cc2O)s1 36812699 KMZODOAQDYUGGD-UHFFFAOYSA-N 314.413 2.646 0 40 DFAB CC[C@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 40007756 CKSUTLPMWXPHGQ-MSOLQXFVSA-N 318.461 2.653 0 40 DFAB O=C(Nc1cccnc1OCc1ccccc1)c1cccc[n+]1[O-] 40554186 GSTSTIGHBJUKFW-UHFFFAOYSA-N 321.336 2.546 0 40 DFAB COc1ccccc1CCNC(=O)c1cc(C)n(C(C)(C)C)n1 42091895 JPDKEMIHJKUZCF-UHFFFAOYSA-N 315.417 2.928 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2csc(C)n2)c(Cl)c1 42114505 RSAIECGUQVMCGG-UHFFFAOYSA-N 316.835 2.892 0 40 DFAB CON(C)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 42160693 GZFMXDRWRKKSLU-UHFFFAOYSA-N 305.355 2.820 0 40 DFAB O=C1O[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)Cc2ccccc21 42797904 SVQQIMCPNXDMNS-SJORKVTESA-N 322.364 2.527 0 40 DFAB CC(C)c1nn(C)cc1CNCCc1ccc2c(c1)OCCO2 42900775 DVXRZHWYSRYMBP-UHFFFAOYSA-N 315.417 2.647 0 40 DFAB COC(=O)[C@H](C)Sc1nnc(COc2ccc(C)cc2)o1 48309220 RNQSOHBOWAFJMT-JTQLQIEISA-N 308.359 2.611 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)CCNc1ncccn1 56202511 BNAMJHMUNBQUMV-ZDUSSCGKSA-N 316.430 2.876 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)C1CCCCC1)C2=O 56552571 GDHDVNWMZZXPGK-DYVFJYSZSA-N 307.438 2.709 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1 57355449 GFEYRAFPQBEKFZ-DOTOQJQBSA-N 300.402 2.655 0 40 DFAB CC1(C)C(=O)N(CCC(=O)NCc2ccco2)c2ccccc21 57355652 IOYYNKPMFKRRMW-UHFFFAOYSA-N 312.369 2.610 0 40 DFAB Cc1c(Cl)cccc1-n1nnc(C(=O)O)c1-c1ccncc1 57509283 LTPVTJTYWBUMNB-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB O=S(=O)(NCc1ccccc1)c1ccccc1OC(F)F 58292084 ITLYIDVRTZCKBW-UHFFFAOYSA-N 313.325 2.767 0 40 DFAB CC(C)[C@H](C)NC(=O)Nc1ccc(CN2CCOC2=O)cc1 58342599 HVESIFFDUFVMCR-LBPRGKRZSA-N 305.378 2.805 0 40 DFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)c1occc1C 65856584 XLQMBAZWBYSZNL-UHFFFAOYSA-N 316.357 2.579 0 40 DFAB O=C1NCCCC[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 68320493 RXJOAAHVZYGCQO-LLVKDONJSA-N 324.306 2.729 0 40 DFAB c1ccc2sc(CN3CCC[C@H](C4OCCO4)C3)nc2c1 69416538 ADCFVYSZCWWHDT-LBPRGKRZSA-N 304.415 2.881 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)cn1 69769913 UJOYDPFDJXYLCQ-SFHVURJKSA-N 307.401 2.943 0 40 DFAB CN(C)C[C@@H]1CN(Cc2csc(-c3cccs3)n2)CCO1 69969490 UBQCBXKIVGREMG-CYBMUJFWSA-N 323.487 2.634 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1COc2ccccc21 70013313 ZCANWVNRUZZFAC-JTQLQIEISA-N 324.258 2.508 0 40 DFAB O=C(NCC1CCN(c2cnccn2)CC1)Nc1ccccc1 70930691 AHQAOWVKELHXHY-UHFFFAOYSA-N 311.389 2.515 0 40 DFAB Cc1ccc([C@H]2C[C@H]2NCc2c(C)nn(CCO)c2C)cc1C 71837276 BWBJZXIMPYQASF-IEBWSBKVSA-N 313.445 2.755 0 40 DFAB C[C@H]1CCCN(C(=O)Nc2ccccc2N2CCOC2=O)C1 71857099 WEHLHMCDMZQWLQ-LBPRGKRZSA-N 303.362 2.907 0 40 DFAB COc1cc(C)cc(C(=O)Nc2cccc(-n3cnnc3)c2)c1O 71883643 NWSMHGTYXPGTBA-UHFFFAOYSA-N 324.340 2.542 0 40 DFAB CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@H]2CCOC2)ccn1 71896610 OLGALZOXYOWCDX-ZFWWWQNUSA-N 306.406 2.548 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc3nn(C(C)C)cc3c2)no1 72288149 JXADJLTUXDTFQK-UHFFFAOYSA-N 314.345 2.931 0 40 DFAB CC[C@@H]1NC(=O)N(CCCOc2ccc3ccccc3c2)C1=O 72311036 XLMXGFSXZKMJSW-INIZCTEOSA-N 312.369 2.939 0 40 DFAB COCCNc1cc([C@@H]2CCN2Cc2ccccc2)nc(C)n1 72387481 OTRUMVZSCGJOSB-KRWDZBQOSA-N 312.417 2.790 0 40 DFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(NC(N)=O)cc1 75141495 KSGDFMOMDKBSDU-KYOSRNDESA-N 301.390 2.970 0 40 DFAB CC(C)c1nc([C@H]2CCCN2Cc2nc(C3CC3)no2)no1 75573281 MDUGILLICQWXIT-LLVKDONJSA-N 303.366 2.791 0 40 DFAB Cc1ccc(CNC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 76042725 MEFYRDIZRORDPL-PBHICJAKSA-N 303.406 2.806 0 40 DFAB C[C@@](CO)(NCc1nc(-c2ccccn2)no1)C1CCCCC1 77655619 RIOZKMIZYUOQGM-KRWDZBQOSA-N 316.405 2.553 0 40 DFAB Cn1ccnc1CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78911123 RMCUWEUAZRVWIF-STQMWFEESA-N 323.318 2.859 0 40 DFAB Cc1cc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)c(C)o1 79093360 CWHYMAWTMABVKN-FZMZJTMJSA-N 324.446 2.572 0 40 DFAB O=C(NCc1cc2c(s1)CCCCC2)N[C@@H]1C=C[C@H](CO)C1 81489793 XVYZFNVPGQPQDM-GXTWGEPZSA-N 320.458 2.753 0 40 DFAB Cc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccs2)o1 84251452 AKXNJJWPWGHBMD-UHFFFAOYSA-N 307.419 2.557 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2[nH]ccc12 84714931 DZFRLYAWKSXVKP-CXAGYDPISA-N 311.429 2.905 0 40 DFAB COc1ccc(OC)c(-n2nc(C)c(CCC(=O)O)c2C)c1 85398104 UZEHNMUUNRNZPW-UHFFFAOYSA-N 304.346 2.524 0 40 DFAB CCOC(=O)c1cnn2ccc(NC(=O)[C@H]3CC=CCC3)cc12 85471557 CWLPMFLTSXIFMQ-LBPRGKRZSA-N 313.357 2.806 0 40 DFAB Cc1nn(CC(F)(F)F)c(C)c1I 86788269 KFESYPLQCOWEEY-UHFFFAOYSA-N 304.053 2.667 0 40 DFAB COc1ncccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 89420709 KZETZJPTJHEWQJ-CHWSQXEVSA-N 318.323 2.788 0 40 DFAB O=S(=O)(CCNC[C@H]1C[C@H]1c1ccccc1)c1ccccc1 89828029 AJHSCSKYCZGSNQ-AEFFLSMTSA-N 315.438 2.854 0 40 DFAB C[C@H]1C[C@@H](NCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)CN1C 90944362 VJTNYVFQGUVDEG-QWQRMKEZSA-N 316.424 2.830 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCCc1cccc(F)c1F 95400977 BBKXLDBLIJDHRS-GLQYFDAESA-N 324.371 2.620 0 40 DFAB Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 95426859 DDPSMEDNWZMYRI-WBVHZDCISA-N 320.458 2.849 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C 95442922 XXXPAYAZSZGEHC-MRXNPFEDSA-N 318.442 2.911 0 40 DFAB CCOc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC 95534304 XRYMGAWJJDXTJI-ZDUSSCGKSA-N 304.394 2.558 0 40 DFAB COc1cc([C@H](C)NC(=O)N2CCC[C@@H]2C(C)(C)O)ccc1F 95939479 JRINMLVMNUVSEW-XHDPSFHLSA-N 324.396 2.840 0 40 DFAB C[C@H](c1ccccc1Cl)N1CCN(Cc2ccn[nH]2)CC1 95982551 QWMQNSNCOMZUBQ-CYBMUJFWSA-N 304.825 2.942 0 40 DFAB O=C(NCc1ccon1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984049 YFRWOIWJQROLLO-ZIAGYGMSSA-N 321.764 2.657 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)NCC(F)(F)F 95986866 NYWAZZKRKUAXJE-UHFFFAOYSA-N 304.312 2.531 0 40 DFAB COCCOc1cc(C(=O)N2CCc3ccc(C)cc32)ccn1 95990978 APFOBOVNIIORCC-UHFFFAOYSA-N 312.369 2.618 0 40 DFAB COC(=O)[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2oc(C)nc2c1 95994658 MLUGMCWPTPCJGB-NWDGAFQWSA-N 302.330 2.664 0 40 DFAB COc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(C)n2)cn1 96001168 XENKHOWFVQBEQD-CYBMUJFWSA-N 316.361 2.539 0 40 DFAB COc1ccc(S(=O)(=O)Nc2nc(C)cs2)c(C)c1F 96008373 NNTRAJZOUFBMEC-UHFFFAOYSA-N 316.379 2.708 0 40 DFAB Cn1cnc(-c2ccc(NC(=O)CSC(C)(C)C)cc2)n1 96011826 NLCIDSHDJLCTBY-UHFFFAOYSA-N 304.419 2.952 0 40 DFAB O=C(CCSc1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96123139 AIPYXKUYGPOYOD-AWEZNQCLSA-N 317.414 2.965 0 40 DFAB Fc1cnc(N2CCC[C@@]3(CCN(c4ccccn4)C3)C2)nc1 96158312 DTLLSARSBYEPNI-KRWDZBQOSA-N 313.380 2.508 0 40 DFAB Cc1nnc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)o1 96414958 GNSJBQXHDCZWAQ-ZDUSSCGKSA-N 303.337 2.612 0 40 DFAB O=C(COc1ccc(OCC(F)(F)F)cc1)N1CCCC1 96429040 AVJJAUUMRQASEX-UHFFFAOYSA-N 303.280 2.629 0 40 DFAB CSC(C)(C)CNC(=O)NC[C@H]1CCN(c2ccccc2)C1 96439262 ARRGLDYQHOJTLQ-CQSZACIVSA-N 321.490 2.954 0 40 DFAB C[C@H](NC(=O)CNC(C)(C)c1nccs1)c1cccs1 96443382 XZNDCVRLGIHHTR-JTQLQIEISA-N 309.460 2.907 0 40 DFAB Cc1ccc(C(=O)N(C)CCn2cccn2)cc1Br 96446306 PYOVEMSNDQEREV-UHFFFAOYSA-N 322.206 2.726 0 40 DFAB CCc1ccc(NC(=O)N2CCOC[C@H]2C[C@H](C)O)cc1CC 97161804 JFWBQZURSZEPDN-SUMWQHHRSA-N 320.433 2.815 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 97198839 VICUCLVJLMNWBJ-GFCCVEGCSA-N 316.405 2.530 0 40 DFAB COc1cc(Br)c(C=O)c(Br)c1O 98063958 IXLYXTOAWGCNQE-UHFFFAOYSA-N 309.941 2.738 0 40 DFAB CC(C)N(CC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100177740 RSLRWQQPIWGGFH-BETUJISGSA-N 314.426 2.617 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 100794045 CGSDASPBVBTXIV-RWMBFGLXSA-N 318.804 2.915 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccc(O)cc1)CC1CC1 108120298 XANIGDVLZAETQF-BRWVUGGUSA-N 301.386 2.698 0 40 DFAB O=C(N[C@@H](O)C(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 108399081 MCOFYCMKEYZMBP-YWVKMMECSA-N 308.592 2.595 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)Cn2ccnc2)C1 110678703 YWMIZINGJUGEEI-HZSPNIEDSA-N 310.467 2.587 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 141633139 HCAKSVZFSIMRDO-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB C=C[Si](C)(N[Si](C)(C=C)c1ccccc1)c1ccccc1 196215026 QYJHBNLRANFWHO-UHFFFAOYSA-N 309.561 2.991 0 40 DFAB CCS(=O)(=O)c1ccccc1N(C)CCc1nccs1 225521722 ZSVDULMNCPZTMI-UHFFFAOYSA-N 310.444 2.616 0 40 DFAB COc1cc(C(=O)Nc2cccc(C)n2)n(-c2ccccc2)n1 227162449 PTGUGPBMWSAWDN-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CC[C@@H](C)NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 242858659 GDYARDUHXFIKSL-OAHLLOKOSA-N 324.424 2.849 0 40 DFAB Cc1noc([C@H]2CN(C(=O)c3ccoc3)C[C@@H]2c2ccccc2)n1 244970178 HNCRRJWTCSRYLM-CVEARBPZSA-N 323.352 2.994 0 40 DFAB C[C@@]12CCN(C(=O)C3CCC(F)(F)CC3)[C@@H]1CC[C@@H](O)C2 257217953 DBGXERYUVNSAEC-NFAWXSAZSA-N 301.377 2.964 0 40 DFAB Cc1ncc(CNC(=O)c2ccsc2)c([C@@H]2CCCN2C)n1 257292024 QJQJBHJHGSLJBA-AWEZNQCLSA-N 316.430 2.543 0 40 DFAB Cc1ccnc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n1 257295874 RAFVZQJPKMIHLD-GOSISDBHSA-N 323.396 2.634 0 40 DFAB Oc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 257298793 RNHGNLMSYSGKRD-LJQANCHMSA-N 313.397 2.798 0 40 DFAB Cc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N(C)C)cc1 408532943 NFFHMGPUZCVOLE-UHFFFAOYSA-N 310.357 2.895 0 40 DFAB c1cnnc(NC2CCN(Cc3ccccc3C3CC3)CC2)c1 584908333 LFVYBFXSDVTBEV-UHFFFAOYSA-N 308.429 3.431 0 40 DFAB Cc1cc(CNC(=O)C2=C(c3ccccc3)SCCO2)no1 585140640 IGRJJFSYXOGLEB-UHFFFAOYSA-N 316.382 2.731 0 40 DFAB Cc1cc(N2CCN(Cc3ccccc3)C(=O)C2)nc(C2CC2)n1 1167109796 AIIUOAKBXJEMDM-UHFFFAOYSA-N 322.412 2.511 0 40 DFAB OC[C@@]12CCCC[C@@H]1CN(c1ncnc3cc(F)ccc13)C2 1888866595 YPXNMNXBUQTIKX-PXAZEXFGSA-N 301.365 2.758 0 40 DFAB Cc1c(Br)c(C(=O)N(C(C)C)C(C)C)nn1C 2774906 UCKBVIGYAUELMG-UHFFFAOYSA-N 302.216 2.750 0 40 DFAB COc1cccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 22027873 ZOWKVQWQCFCJKD-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB COc1ccc([C@]2(O)CC(C)=NN2C(=O)c2ccccc2)cc1 711665 FSTGCQCLBJRZKR-GOSISDBHSA-N 310.353 2.762 0 40 DFAB COC(=O)CCN(C(=O)c1cccc(C)n1)c1ccccc1C 97139682 WHCHFOMIFXBCQF-UHFFFAOYSA-N 312.369 2.908 0 40 DFAB COCc1c(Cl)cccc1NC(=O)N(CCO)C(C)C 97113385 UTXVFXYBLWCIQU-UHFFFAOYSA-N 300.786 2.721 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3cccc(Cl)c3C)nc2n1 3360525 MRXXXNPSVYCYPF-UHFFFAOYSA-N 315.764 2.955 0 40 DFAB CCCCC1=NN(C(=O)c2ccco2)[C@@](O)(C(F)(F)F)C1 4009305 BAKNXGNQZCUCSC-LBPRGKRZSA-N 304.268 2.923 0 40 DFAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 4974136 YGFPVEBYZARHFM-HNNXBMFYSA-N 306.406 2.852 0 40 DFAB CC(C)CCNC(=O)COC(=O)c1cccc(-n2cccc2)c1 6830639 PDTGBMRNDRQJOA-UHFFFAOYSA-N 314.385 2.796 0 40 DFAB Cc1ccc(O)c(C(=O)NCC(=O)Nc2c(C)cccc2C)c1 6993429 HROUJNFGVKBYAJ-UHFFFAOYSA-N 312.369 2.686 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2F)c1 7405102 HJUIBBCFIGIWGT-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB COC[C@H](Nc1ncc(Br)cn1)c1ccc(C)o1 72310983 YICBULQTDCFYPX-JTQLQIEISA-N 312.167 2.940 0 40 DFAB O=C(O)c1ccc(Br)c(NC(=O)c2ccco2)c1 8473389 APGVDTPZVBGIFR-UHFFFAOYSA-N 310.103 2.993 0 40 DFAB Cc1ccc(S[C@H](C)[C@@](O)(C(N)=O)c2ccccc2)cc1 8665435 QQDHDKCUVFNAQU-DYVFJYSZSA-N 301.411 2.849 0 40 DFAB COc1ccc(-n2nc(C(=O)O)nc2-c2ccc(F)cc2)cc1 8730809 XDARVFLZBLBJAZ-UHFFFAOYSA-N 313.288 2.780 0 40 DFAB O=C(Nc1ccccc1)c1ccc(CN2CCC(O)CC2)cc1 8878570 QTIBSOZKAFTNKD-UHFFFAOYSA-N 310.397 2.896 0 40 DFAB O=C(NC[C@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 54540276 OGKPFBLDDSGTII-TZMCWYRMSA-N 308.353 2.518 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccccn1 55516443 BHCISSGSRBOQBC-MRXNPFEDSA-N 324.380 2.759 0 40 DFAB Cc1nc(/C=C/C(=O)N2CCC[C@H](CCC(=O)O)C2)cs1 43584271 UNWZGRMMWVTPIJ-BTDICHCPSA-N 308.403 2.568 0 40 DFAB O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 57993945 CHZOHVJJXJVVLE-UHFFFAOYSA-N 312.369 2.508 0 40 DFAB O=C(NCc1cc[nH]n1)Nc1cccc(-c2nc(C3CC3)no2)c1 58054545 YBHGBQIKXBDILX-UHFFFAOYSA-N 324.344 2.659 0 40 DFAB COc1ncccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 58080379 AFSXPNWBAFWUGJ-CXAGYDPISA-N 320.437 2.722 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCCc1ccc(Cl)cc1 10042779 LUDAULLRRTVVPB-UHFFFAOYSA-N 305.809 2.592 0 40 DFAB CN(C)C(=O)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 58283223 PMRUNPSWNHPGEW-UHFFFAOYSA-N 313.401 2.642 0 40 DFAB COc1ccnc(NC[C@@H](c2c(F)cccc2Cl)N(C)C)n1 12727328 LOKBEYYGMWCTDK-LBPRGKRZSA-N 324.787 2.993 0 40 DFAB Cc1[nH]c(=S)n(CCC2=CCCCC2)c(=O)c1CC(=O)O 20156359 SHKPULLWYKZLNV-UHFFFAOYSA-N 308.403 2.732 0 40 DFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@H]1CC=CCC1 58342987 MTYARYXICVKPOH-INIZCTEOSA-N 316.401 2.720 0 40 DFAB CC(C)CNC(=O)COC(=O)c1cc(Cl)ccc1Cl 3320215 GOQADRVKZLSLLW-UHFFFAOYSA-N 304.173 2.922 0 40 DFAB O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2C[C@H]1CN2 100340725 RLNZYGFONFGKGT-KGLIPLIRSA-N 320.392 2.982 0 40 DFAB O=C(NCc1ccc(O)cc1)c1cncn1-c1ccc(F)cc1 48300758 KKEPXQVKRWBSOZ-UHFFFAOYSA-N 311.316 2.647 0 40 DFAB COCc1cccc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)c1 36391919 RKCXRNLDWDFQAX-GASCZTMLSA-N 304.434 2.541 0 40 DFAB Cc1nnc(CN2CCn3cccc3[C@@H]2c2ccccc2)n1C 48366256 JUKIJHUBSWIGFP-SFHVURJKSA-N 307.401 2.530 0 40 DFAB O=C(C[C@H](C(=O)O)N1CCCC1)Nc1ccc2ccccc2c1 65090406 BTKNFFDEYUQLTQ-MRXNPFEDSA-N 312.369 2.717 0 40 DFAB CSCc1nnc(S[C@@H](C)C(=O)NC2CCCCC2)o1 12888536 SFFGXSKFRCQQDT-VIFPVBQESA-N 315.464 2.862 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2ccn[nH]2)C1 84579348 AWIYXIRFZFPPCB-AWEZNQCLSA-N 309.369 2.592 0 40 DFAB Cc1c(C(=O)CSc2nnnn2C)sc2ccccc12 9049509 CEGXBHDCUCNODF-UHFFFAOYSA-N 304.400 2.708 0 40 DFAB C[C@@H](Cc1ccc2ccccc2n1)SCCS(C)(=O)=O 84640738 UGETXWLDJYYJRA-LBPRGKRZSA-N 309.456 2.944 0 40 DFAB CC[C@](C)(CC(=O)NCCCN(C)C)c1ccccc1OC 5245749 SDTMROLJZYBXSI-GOSISDBHSA-N 306.450 2.821 0 40 DFAB Cn1nncc1CN1C[C@@H](c2ccccc2Cl)OCC1(C)C 93364416 WDKGPHKUGTUIQY-HNNXBMFYSA-N 320.824 2.821 0 40 DFAB Cc1nn(CC(=O)N(C)c2ccccc2)c(C)c1Br 65589637 PSQNJYSVMVPEBA-UHFFFAOYSA-N 322.206 2.925 0 40 DFAB C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)C1CCC1 95420871 LZRHGPMELVYQED-KBXCAEBGSA-N 316.445 2.874 0 40 DFAB O=C(Nc1cccnc1)C1CCC(NC(=O)C2CCCC2)CC1 65626416 DQFADBJWUBGONB-UHFFFAOYSA-N 315.417 2.885 0 40 DFAB O=C(COC(=O)C1CCC1)Nc1ccc(C(F)(F)F)cc1 5507524 HAKYLIPDTJKPEW-UHFFFAOYSA-N 301.264 2.987 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)CCC2 14810065 ARSIEJDLSBFBBS-UHFFFAOYSA-N 323.396 2.659 0 40 DFAB CC(C)(CNC(=S)NCCc1ccccc1)N1CCCCC1 6906520 WUYPKJJTXNAEIQ-UHFFFAOYSA-N 319.518 2.958 0 40 DFAB CCO[C@@H](CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 95417148 RPGOSDWEKCBPJI-SJORKVTESA-N 301.386 2.805 0 40 DFAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 8207212 AWFZKOMVRNQNJO-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB CCc1ccc([C@H]2COCCN2CCCc2cnn(C)c2)o1 96413003 GBRLWLVAIHIEDV-MRXNPFEDSA-N 303.406 2.582 0 40 DFAB CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCCOC1 96425594 OXMMSVUOLQGCJV-HNNXBMFYSA-N 318.417 2.517 0 40 DFAB C[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@@H](C)O1 17288993 XPGJWEADVIKLOQ-WDMOLILDSA-N 314.223 2.592 0 40 DFAB CCc1ccc([C@@H]2c3c(C)n[nH]c3C[C@](C)(O)[C@H]2C(C)=O)cc1 8569489 AURQONAMLKFZDJ-QYZOEREBSA-N 312.413 2.925 0 40 DFAB COc1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)cc1Cl 69896886 DKDKGEYXNABLGN-NSHDSACASA-N 319.810 2.659 0 40 DFAB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1C(C)C 409125375 NDRIDLUTGRKVDO-WUXMJOGZSA-N 322.386 2.807 0 40 DFAB Fc1ccc(-c2nc(CNCCn3cccn3)co2)cc1F 71879185 JSDVECSQBUGRSO-UHFFFAOYSA-N 304.300 2.606 0 40 DFAB Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2COCCO2)c1 71910504 FIJAAWXZGPPDLE-IAGOWNOFSA-N 303.402 2.854 0 40 DFAB Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)on1 71909162 PCVAFYWFTCGQOM-GFCCVEGCSA-N 324.331 2.686 0 40 DFAB CN[C@@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 97019922 AGURDDXAXUZWOC-CYBMUJFWSA-N 302.340 2.812 0 40 DFAB Cc1ccoc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 97017834 NUVGQLWTCJNYSB-ZDUSSCGKSA-N 301.342 2.951 0 40 DFAB CCc1cnccc1C(=O)N[C@@H]1C[C@]12CCOc1ccccc12 97034980 UUOOZQHIHKJVBM-MJGOQNOKSA-N 308.381 2.867 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)C(C)(C)c1ccccc1 95984743 CCLJWVOAZMQNNR-CQSZACIVSA-N 314.433 2.921 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)Nc2ccc(Cl)cc2)no1 95998893 XAHSOZCYIIDNNQ-LBPRGKRZSA-N 322.752 2.637 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CC1 89598340 FYOQYIWQLRLJCZ-MFKMUULPSA-N 313.850 2.600 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c(=O)[nH]1 75120553 DNKLRQPZDKBFBI-MRXNPFEDSA-N 310.397 2.921 0 40 DFAB O=C(NCCCCn1ccnc1)NC[C@@H]1C[C@@H]1c1ccccc1 89827984 YZBWAPVYEWKGML-DLBZAZTESA-N 312.417 2.766 0 40 DFAB Cc1cc2nc(NCCO)n(CC(=O)C(C)(C)C)c2cc1C 67350876 ZDWZLIPIJLMGDK-UHFFFAOYSA-N 303.406 2.673 0 40 DFAB C[C@@H](C(=O)NCCc1ccccc1)n1cc(Br)cn1 28305650 ODOYTFHUDFOCTJ-NSHDSACASA-N 322.206 2.566 0 40 DFAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)c(OC)c1 20731896 SYXGFSBXBFDCLN-CYBMUJFWSA-N 305.359 2.851 0 40 DFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H]1CCO 69249591 IQRIFYSOJQOEMB-WMLDXEAASA-N 322.424 2.582 0 40 DFAB O=C(NCC(=O)N1CCCCCCC1)c1ccc(Cl)cc1 32720230 WLGLRSNDZMNOCX-UHFFFAOYSA-N 308.809 2.863 0 40 DFAB CCOC(=O)c1cc2c(oc1=O)-c1ccc(OC)cc1CC2 3850341 QBLAMOLPYLGCHD-UHFFFAOYSA-N 300.310 2.591 0 40 DFAB biogenic O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc[nH]n1 524733617 YQXYDOVRYIBCQV-ZDUSSCGKSA-N 315.764 2.878 0 40 DFAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO 79411093 SQLOZRKRYCJWKC-IRXDYDNUSA-N 320.433 2.538 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC[C@H]1CO 79439692 VLLQCKBOMIFNAS-JTQLQIEISA-N 324.229 2.529 0 40 DFAB CCCCN(C)C(=O)COC(=O)c1cc(F)ccc1Cl 72330103 XGXULXYPGSFHDB-UHFFFAOYSA-N 301.745 2.894 0 40 DFAB COC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1OC 225804888 YGEJHGSMLRVFCC-UHFFFAOYSA-N 321.373 2.770 0 40 DFAB COc1ccc(O[C@@H](Cc2ccccc2OC)C(=O)O)cc1 225097339 WTVDBGXPBZRMHE-INIZCTEOSA-N 302.326 2.779 0 40 DFAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccccc1Br 75157766 HEIADQLZXSXZHL-LBPRGKRZSA-N 314.223 2.976 0 40 DFAB C[C@H](CNc1nnc(-c2ccccn2)s1)CC1(C)OCCO1 195555597 XNWWRKIZLQYPEP-NSHDSACASA-N 320.418 2.801 0 40 DFAB Cc1ccncc1NS(=O)(=O)c1cccc(Cl)c1F 85235345 QIAXUSQPBJJIKO-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB O=C1CCNc2nc(Br)c(Br)cc21 196642316 ZHHQHDWYYQAWJW-UHFFFAOYSA-N 305.957 2.605 0 40 DFAB O=C([C@@H]1CCO[C@@H]2CCN(c3ccccc3)C[C@@H]21)N1CCCC1 96066362 GUCCGGYHSPTUMQ-KZNAEPCWSA-N 314.429 2.540 0 40 DFAB C[C@H]1CCOCCN1C(=O)NC[C@H](C)c1ccc(F)c(F)c1 95459998 QKHPNQVIIGKZKN-RYUDHWBXSA-N 312.360 2.889 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCS1 96432269 MGNUUISAWCOUKZ-OAHLLOKOSA-N 319.474 2.895 0 40 DFAB O[C@H](CN[C@@H]1CC2(CCC2)Oc2ccccc21)COCC1CC1 95421434 CXHSTUPKPAAPRQ-NVXWUHKLSA-N 317.429 2.810 0 40 DFAB C[C@@](NC(=O)C[C@H]1C=CCC1)(C(N)=O)c1cccc(Cl)c1 96454808 JMCVBDSSHFNCJB-ZBEGNZNMSA-N 306.793 2.513 0 40 DFAB O=C(Nc1cccnc1SCc1ccccn1)[C@H]1CCCO1 96232322 QBCKGTZIVNWCEG-CQSZACIVSA-N 315.398 2.886 0 40 DFAB c1ccc2c(c1)[C@@H]1CN(Cc3ccoc3)C[C@@H]1[C@H]2N1CCOCC1 96058342 GIHLHCPGFNFDCL-UFYCRDLUSA-N 324.424 2.882 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCS1 96432268 MGNUUISAWCOUKZ-HNNXBMFYSA-N 319.474 2.895 0 40 DFAB Clc1ccc(-n2nnnc2SCCCn2ccnc2)cc1 97235256 SOIMPTUEVOJTNF-UHFFFAOYSA-N 320.809 2.695 0 40 DFAB CN(C[C@@H]1CCOC1)C(=O)N[C@@H](c1ccccn1)C1CCCC1 96455149 OVWALURMCUPJHV-WMLDXEAASA-N 317.433 2.991 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(O)cc1 95116825 PXNQWJZSRGVEJO-MRXNPFEDSA-N 316.382 2.503 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181878 QFPMOCQNLXYILG-ZBFHGGJFSA-N 306.381 2.652 0 40 DFAB CC(=O)c1ccc(CNC(=O)c2cc(C(C)C)on2)nc1C 97231832 SCESYVBYSCEZIW-UHFFFAOYSA-N 301.346 2.634 0 40 DFAB CCOC(=O)C1(C(=O)N(C)Cc2ccc(F)cc2Cl)CC1 96427208 PUUKNJSBRZDAHD-UHFFFAOYSA-N 313.756 2.781 0 40 DFAB COCc1cnc2n1CCN(Cc1ccc(F)c(F)c1)[C@H]2C 96109577 JLMMBWMQEKGAQV-NSHDSACASA-N 307.344 2.885 0 40 DFAB O=C(c1cnco1)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257242768 IEBGFPAVJXKSOA-GLQYFDAESA-N 316.332 2.743 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N(C)CC(F)(F)F)cc(C)c1O 252500737 TUTUMZPOZRNBDN-JTQLQIEISA-N 304.312 2.830 0 40 DFAB CC(=O)N1CCCC[C@H]1c1csc(Nc2ncccn2)n1 257307408 SYNBFHLLKRVNQG-LBPRGKRZSA-N 303.391 2.750 0 40 DFAB Cc1csc(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)c1 390826816 PZHPXXPOBRPKEW-INIZCTEOSA-N 317.366 2.908 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C 25043240 ZBLQSLWDMWGYKS-GBIKHYSHSA-N 306.406 2.973 0 40 DFAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccc(C)c(C)c1)C2 71185566 IHNLZFZTBBVUGL-HOTGVXAUSA-N 324.428 2.603 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccncc1 44894890 VRUGWOUJWRLNGP-CQSZACIVSA-N 306.369 2.817 0 40 DFAB O=C(CCn1ccc2ccccc21)Nc1ccc2c(c1)C(=O)NC2 57558236 DQOZNNZPJNYQQH-UHFFFAOYSA-N 319.364 2.914 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 106927947 SBJKFOLZGCLTBA-JQFCIGGWSA-N 310.397 2.914 0 40 DFAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cc(C)on3)C2)ccn1 1776000952 REFLNCSDPRFQPL-AWEZNQCLSA-N 315.373 2.618 0 40 DFAB COc1nn(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001408 QQMFOLZLXQUFCH-KBPBESRZSA-N 301.390 2.676 0 40 DFAB CN1CCN(Cc2cc3ccccc3[nH]c2=O)Cc2ccccc21 78641543 SSSNLQIANZHSKX-UHFFFAOYSA-N 319.408 2.980 0 40 DFAB Cc1cc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)ncn1 585359355 GYRIZDKHZLECIY-NSHDSACASA-N 305.765 2.522 0 40 DFAB COc1ccc([C@H](O)[C@@H]2N=C(N)S[C@H]2c2ccccc2)cc1 5003662 AXNGOUSWORRIRG-JYJNAYRXSA-N 314.410 2.900 0 40 DFAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](O)[C@@H]2C)OCO4)cc1 5759193 LNMMITRHKFYKNY-APEXYLGGSA-N 314.337 2.903 0 40 DFAB CCCc1cc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)[nH]n1 12147394 XMNZDSKVYCXCMD-ZDUSSCGKSA-N 306.454 2.603 0 40 DFAB Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccco2)o1 15784712 LMFSPYHTZKRLTN-UHFFFAOYSA-N 300.314 2.998 0 40 DFAB COc1cccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)c1 206581 JLMBUNFOTWWCCI-RIYZIHGNSA-N 323.304 2.768 0 40 DFAB COc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1 1889151739 OAYOWGFOAOUKBU-UHFFFAOYSA-N 300.387 2.638 0 40 DFAB Cc1nn(C)c(-c2nnc(S)n2-c2ccccc2)c1Cl 6533720 ZHVYZWINRPBCTM-UHFFFAOYSA-N 305.794 2.918 0 40 DFAB C[C@@H]1Cc2cc(CNCc3ccc(OCCO)cc3)ccc2O1 12238357 ITSDSDXIPKEWOT-CQSZACIVSA-N 313.397 2.671 0 40 DFAB CN1CCN(C(=O)c2cccc(N(C)C)c2)[C@@H](c2ccccc2)C1 40007781 WIENXGLRUJXCID-LJQANCHMSA-N 323.440 2.882 0 40 DFAB Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)s1 31258966 BGZTZUJOXZKCSQ-UHFFFAOYSA-N 321.471 2.779 0 40 DFAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)Cn3cccn3)cc2C1 31390045 JTEYIYVBERKSQQ-VXGBXAGGSA-N 303.431 2.888 0 40 DFAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2sccc2C)c1 31339360 QSDXJOGEXJHSAV-ZDUSSCGKSA-N 321.398 2.537 0 40 DFAB CCS(=O)(=O)NCCc1csc(-c2ccc(C)cc2)n1 41132675 ZKZDLLXZIFUECL-UHFFFAOYSA-N 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CC(C)(NC(=O)Cn1cccn1)c1nc2ccccc2s1 529693597 KDVXFTGDTYCPHJ-UHFFFAOYSA-N 300.387 2.544 0 40 DFAB O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1COc2ccccc21 96437360 UIIQAHLRRUYEHR-HIFRSBDPSA-N 317.772 2.666 0 40 DFAB COc1cccc(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)c1 257235395 GXQGWJXLFBBQNL-HKUYNNGSSA-N 316.445 2.713 0 40 DFAB CC(C)C(=O)N1CCCC[C@@H]1c1nnc([C@@H]2CCCCN2)o1 257342779 ZQDHBRSPCIWMPF-QWHCGFSZSA-N 306.410 2.594 0 40 DFAB CN(C)Cc1ccccc1NC(=O)CCNC(=O)OC(C)(C)C 31232309 IOWIIUJMHMEADD-UHFFFAOYSA-N 321.421 2.602 0 40 DFAB O=C(CC1CCCC1)NCCNc1nccc(C(F)(F)F)n1 65623189 KUURCLOEIPUNJO-UHFFFAOYSA-N 316.327 2.604 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 43545235 JNNOCOXOWIPRCG-NWDGAFQWSA-N 318.398 2.567 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(CC2CC2)C1 46120853 HKZHCRYHJFLZLX-JTQLQIEISA-N 310.756 2.676 0 40 DFAB CC(C)(C)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 57936856 SQANVGGHMCPLQL-UHFFFAOYSA-N 316.401 2.585 0 40 DFAB CCN1CCC[C@@H]1CNCc1c[nH]nc1-c1ccc(OC)cc1 53945896 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CNC(=O)c1cccc(NC(=O)CCc2cccc(OC)c2)c1 22383778 PIAYJJBXPDOLLV-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB CCO[C@H]1CCN(C(=O)C2CC(C)C2)[C@H]1Cc1cccnc1 1565546402 AIFQGDWRZVONKH-KMZOKZLKSA-N 302.418 2.676 0 40 DFAB Oc1ccc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)c1 407260 NQKWNDDPTRVJIF-UHFFFAOYSA-N 310.309 2.926 0 40 DFAB Cc1ccnc2nc(C(=O)N3CCCC4(CCCCC4)C3)nn12 96405519 HNJOXPHJALKGHM-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1cc(F)ccc1F 30318954 FMRGZUHQAZFNFX-UHFFFAOYSA-N 316.351 2.753 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccsc1)N2 30540891 RWEUEXXWLJUDHI-AWEZNQCLSA-N 304.371 2.962 0 40 DFAB Cc1nc2ccccc2nc1CN1C(=O)NC2(CCCCC2)C1=O 40457363 CUQZDBYPAWPDJP-UHFFFAOYSA-N 324.384 2.693 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cccs1 31524924 ITGLBOBQYVIQNT-UHFFFAOYSA-N 316.426 2.835 0 40 DFAB O=C(Nc1cccc2cnccc12)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 101193823 CKMRAEMRIIHEKQ-WXRXAMBDSA-N 311.385 2.763 0 40 DFAB CCC[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 21005394 WDFOFDQVYLENMO-GFCCVEGCSA-N 301.390 2.859 0 40 DFAB Cc1cc(OCC(=O)NC(C)C)cc(C)c1Br 382467 YFVDZIKQSOVNTQ-UHFFFAOYSA-N 300.196 2.969 0 40 DFAB O=C(NCc1ccccc1)NCc1ccc(Cn2cccn2)cc1 32841241 HVCDXMGBTIDGRD-UHFFFAOYSA-N 320.396 2.931 0 40 DFAB O=C(CNc1cc(F)cc(F)c1)NCCOc1ccccc1 32899555 VKAUFGUTTDJNRJ-UHFFFAOYSA-N 306.312 2.572 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 32817071 RGQIAJFBXVOAIR-SKDRFNHKSA-N 303.280 2.941 0 40 DFAB CCOC(=O)COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 33188973 QQYZDCZIINSUGF-CYBMUJFWSA-N 303.358 2.923 0 40 DFAB CCc1noc(CC)c1CN1C(=O)N2CCC[C@]2(CC)C1=O 97232143 LEUBFYFFTWJHCK-MRXNPFEDSA-N 305.378 2.506 0 40 DFAB Cc1ccccc1OC[C@H]1CN(CN2CCC(C)CC2)C(=O)O1 90398 DEKNTCSOHCZMAY-MRXNPFEDSA-N 318.417 2.884 0 40 DFAB CN(CC(F)(F)F)C(=O)CNC(C)(C)c1ccc(F)cc1 69870179 WPWAHNLNAOMQCA-UHFFFAOYSA-N 306.303 2.671 0 40 DFAB CCn1ccc(CNC(=O)c2cc(Br)cs2)n1 2732658 MYDCGPNDAMPYBU-UHFFFAOYSA-N 314.208 2.657 0 40 DFAB CC(C)OC(=O)CSc1nnc2c3ccccc3n(C)c2n1 417657 VZUFQZURSBZLIM-UHFFFAOYSA-N 316.386 2.560 0 40 DFAB Cc1ccc(C)c(N(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C(C)C)c1 69809460 KEERYACTXMJEDR-HNNXBMFYSA-N 321.442 2.993 0 40 DFAB C[C@H]1CN(C(=O)NCc2ccco2)[C@@H](c2ccccc2)CO1 76066731 QROGHAWMFVUNPB-XJKSGUPXSA-N 300.358 2.951 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2Cc2cn3ccccc3n2)c1 69969755 GXPCKFFOILRFRK-KRWDZBQOSA-N 309.417 2.894 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCCc1ccccc1 3061937 PLBBPOITKARAEB-UHFFFAOYSA-N 316.788 2.946 0 40 DFAB COc1ccc(-c2nc3ccccc3c3nc(N)nn23)cc1OC 3141002 NOHDPZFLUHWDMH-UHFFFAOYSA-N 321.340 2.544 0 40 DFAB COc1ccc(NC[C@H](O)COc2ccc(OC)cc2)cc1 4331438 NJVDBXADJFYVEG-AWEZNQCLSA-N 303.358 2.556 0 40 DFAB CCONC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 22874380 RHZAXRHTYRMUDU-UHFFFAOYSA-N 305.355 2.868 0 40 DFAB C1C[C@H]2[C@@H]3C[C@H](C[C@@H]3NC3CCN(C[C@@H]4CCOC4)CC3)[C@H]2C1 104346435 BFEYRZVFISWBCT-NRWMGAILSA-N 318.505 2.902 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3nc4ccccc4s3)nc2n1 7768039 REEVMXMTHVTJEA-UHFFFAOYSA-N 324.369 2.603 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)[nH]1 7834958 HVDBBIJNVYLCIK-SNVBAGLBSA-N 322.409 2.864 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)Cc1coc2cc3c(cc12)CCC3 24473047 NMPRTNYSWFCSOI-UHFFFAOYSA-N 323.396 2.856 0 40 DFAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cnsn1 97453234 KFDOBGKJOAGDMY-UHFFFAOYSA-N 317.292 2.709 0 40 DFAB CCOc1ccccc1NS(=O)(=O)c1ccc([C@H](C)O)cc1 12585238 VWMKCQCJPPRDRW-LBPRGKRZSA-N 321.398 2.939 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 43545236 JNNOCOXOWIPRCG-VXGBXAGGSA-N 318.398 2.567 0 40 DFAB O=S(=O)(Oc1ccccn1)c1ccc(Br)cc1 1670013 SSXGGFGRTFPJIU-UHFFFAOYSA-N 314.160 2.612 0 40 DFAB c1ccc([C@H](CNc2ncnc3[nH]ncc23)N2CCCC2)cc1 12556515 MEQRXCBSRFZNRK-HNNXBMFYSA-N 308.389 2.602 0 40 DFAB Cc1cc(C(=O)/N=c2/sccn2Cc2ccccc2F)no1 26385553 IMXQWXMVWIBKJW-BMRADRMJSA-N 317.345 2.775 0 40 DFAB O=C(CCc1cccs1)N1CCN(c2ccccc2O)CC1 26527132 BFYVZZUUAIEWHN-UHFFFAOYSA-N 316.426 2.735 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCc1ccccc1 3237534 OPYLTWCTMSRQDN-GJZGRUSLSA-N 303.402 2.952 0 40 DFAB Cc1ccc(-n2nnnc2C2(N)C3CC4CC(C3)CC2C4)c(C)c1 35615774 RHROYAWHLIEBFY-UHFFFAOYSA-N 323.444 2.889 0 40 DFAB CN(C)S(=O)(=O)NCCC(c1ccccc1)c1ccccc1 27939589 SVCAMXXRPXCCNP-UHFFFAOYSA-N 318.442 2.605 0 40 DFAB CCc1c(C)nn2c(O)cc(CCc3c(C)noc3C)nc12 100776369 GEMSHJBQVVZLSK-UHFFFAOYSA-N 300.362 2.696 0 40 DFAB CC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 27350891 XRBIZOIBOUYQJB-INIZCTEOSA-N 316.332 2.883 0 40 DFAB Cc1sc2ncnc(SCC(=O)N3CCCC3=O)c2c1C 2632036 BIFLUBZZUCIUEM-UHFFFAOYSA-N 321.427 2.549 0 40 DFAB CONC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 12801896 KKTZWURTCVBAAO-UHFFFAOYSA-N 323.352 2.839 0 40 DFAB O=C1CC(NC(=S)Nc2ccccc2)=NN1c1ccccc1 4065221 MSXGPHHEQAFPIO-UHFFFAOYSA-N 310.382 2.723 0 40 DFAB C1=CO[C@@H](CN2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 249036990 SUBSBFNXBNYMJO-HUUCEWRRSA-N 302.422 2.834 0 40 DFAB C[C@H]1CCc2c(C(=O)NCCCN3CCCC3=O)csc2C1 5070196 OGPICHIEZKOLBG-LBPRGKRZSA-N 320.458 2.615 0 40 DFAB CC12CN3CC(C)(CN(C1)C3c1cccc3ccccc13)C2N 19331080 IKHWDLJZLVAOIK-UHFFFAOYSA-N 307.441 2.823 0 40 DFAB O=c1cc(CN2CCc3ccccc32)nc2ccc(Cl)cn12 39987693 PJZHMFLVBJJLPV-UHFFFAOYSA-N 311.772 2.911 0 40 DFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1 4362438 CDMOTBWILZKQHA-UHFFFAOYSA-N 321.288 2.843 0 40 DFAB Cc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl 65516436 AEGRDFWMPAPNFB-GXTWGEPZSA-N 322.836 2.693 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1c2c(nc3ccccc13)CCC2 5347090 GFEHAPJBJGCBJZ-CQSZACIVSA-N 323.440 2.938 0 40 DFAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)no2)cc1 14168835 VFDIUOPRJFNHCO-UHFFFAOYSA-N 301.346 2.717 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)NC1CCCCCC1 6542778 ZDGLOEGNIYZELE-UHFFFAOYSA-N 318.417 2.654 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 6583462 NLTMOKVAPBRFCO-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COc1ccccc1C(=O)NC(=S)N(C)c1ccccc1 6871602 HOCVBYFWSGCKSX-UHFFFAOYSA-N 300.383 2.846 0 40 DFAB COCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 4912063 VMXDNNPWSUQREK-LLVKDONJSA-N 317.341 2.632 0 40 DFAB CCCCNC(=O)CCCc1nc(-c2cccc(OC)c2)no1 21168647 DBENXFJQHCSNBT-UHFFFAOYSA-N 317.389 2.984 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1C 7609951 SLNPTEHOLMOZEJ-CQSZACIVSA-N 312.369 2.884 0 40 DFAB COC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763513 FSGZTZROPUKOOG-QMMMGPOBSA-N 309.416 2.995 0 40 DFAB CCOc1ccc(NC(=S)N(C)Cc2nccn2C)cc1 7943208 UIIFPSRKAIWRPQ-UHFFFAOYSA-N 304.419 2.648 0 40 DFAB CCN(C(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccccc1 69367832 DKSVNQJTFQZWGR-OAHLLOKOSA-N 310.401 2.746 0 40 DFAB CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(C2CC2)[nH]n1 69484117 RTSDBLODRJITBY-QGZVFWFLSA-N 311.385 2.673 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@H](O)c1c(F)cccc1F 69626112 CETQFCCVETXBBM-ZDUSSCGKSA-N 318.279 2.515 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)Cc2ccc(C)cc2)cc1 17949079 QVMMLCYMFOHCLI-UHFFFAOYSA-N 311.381 2.706 0 40 DFAB O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cnc[nH]2)C1 92073341 OJRFTCPUOOJOPM-UONOGXRCSA-N 311.307 2.736 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)Cc1ccccc1Br 71856831 MWZBSXPAXCJIJZ-LBPRGKRZSA-N 312.207 2.629 0 40 DFAB O=C(c1cc2ccccc2c(=O)[nH]1)N(Cc1cccnc1)C1CC1 71841784 TXXVFZSGEFYMRH-UHFFFAOYSA-N 319.364 2.728 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cs2)c2ccccc21 71818137 WKTAJEFNFYZKMI-VIFPVBQESA-N 323.395 2.759 0 40 DFAB CN(CCc1ccccc1F)C(=O)c1ccc(C(=O)O)cc1 95424324 UEGHQWWVWVZRMX-UHFFFAOYSA-N 301.317 2.839 0 40 DFAB COc1ccc(C2(C(=O)NC3CCC(O)CC3)CCCC2)cc1 83943556 YQESCVWLCWOOHU-UHFFFAOYSA-N 317.429 2.927 0 40 DFAB Cc1ccc([S@](=O)CC(=O)NCCC2CCCCC2)nc1 97016107 FFBNEYLVXGTTNU-NRFANRHFSA-N 308.447 2.584 0 40 DFAB COCCOc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cn1 72304753 HKMHPFKAPFWAFY-DZGCQCFKSA-N 319.405 2.903 0 40 DFAB COc1ccc(F)c(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1 88211531 ZGXHBLAMUBHXOT-UHFFFAOYSA-N 316.332 2.654 0 40 DFAB Cc1cc(F)c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1F 95965121 CAYPGESBJHAUKH-UHFFFAOYSA-N 316.307 2.811 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(F)c1 95980145 GAEZKYCJAOUMCU-CQSZACIVSA-N 318.352 2.771 0 40 DFAB Cc1cccn2c(CNc3cccnc3-n3cccn3)cnc12 95939359 YQTKCPDDOUJLMX-UHFFFAOYSA-N 304.357 2.836 0 40 DFAB Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)sc1C 74775940 OBAIQDWESKHBCS-UHFFFAOYSA-N 319.405 2.861 0 40 DFAB Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1S(C)(=O)=O 89312765 ANPAVCWWDSRLML-STQMWFEESA-N 322.430 2.662 0 40 DFAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1c1ccco1 75583853 AZEKADASVLXEAB-YDHLFZDLSA-N 311.337 2.514 0 40 DFAB CCOCc1c(I)cnn1CC(C)C 408717284 XZDIZTCHVLACGF-UHFFFAOYSA-N 308.163 2.680 0 40 DFAB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1C)CC(=O)N2 21784180 BXOOJSUGXCCTCA-LLVKDONJSA-N 315.398 2.583 0 40 DFAB CC(=O)O[C@@H](CC/C(C)=C/CO[C@H]1CCCCO1)C(C)(C)O 38198734 FHNUCPDIWSTPBU-TZCWYCDXSA-N 314.422 2.959 0 40 DFAB COCCCn1ccc(NC(=O)NCCc2ccc(C)cc2)n1 77514064 JKLWDIQVHSJRIA-UHFFFAOYSA-N 316.405 2.592 0 40 DFAB CCO[C@H](C)c1nc(CN2CCN(CC(F)F)CC2)cs1 76723771 SJMNPTPVCCFFPZ-LLVKDONJSA-N 319.421 2.623 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)ccc2OC)c1C 72239102 JXDVAVULTKKXSA-UHFFFAOYSA-N 323.418 2.638 0 40 DFAB Cc1cc(Nc2nccs2)nc([C@H]2CCCCN2CCO)n1 72382374 MWEARLFGJBOCPJ-GFCCVEGCSA-N 319.434 2.504 0 40 DFAB O=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21 72270775 GTDBFINJFYHYCY-MRXNPFEDSA-N 324.428 2.569 0 40 DFAB Brc1ccc(-c2cc(N3CCCNCC3)[nH]n2)cc1 130598384 BIIZNLMHUJZTNI-UHFFFAOYSA-N 321.222 2.639 0 40 DFAB CC(C)n1nc(O)c2c(-c3ccccc3)c3c(nc21)[nH]c(=O)n3C 79494780 CWNUBEPAXAIMLA-UHFFFAOYSA-N 323.356 2.565 0 40 DFAB C[C@@](O)(CNC(=O)c1ccc(O)cc1F)c1cccc(Cl)c1 185087857 NEOHNIPCGMTNQS-MRXNPFEDSA-N 323.751 2.822 0 40 DFAB COc1ccc(F)cc1CNC(=O)c1ccnn1CC(C)C 566268155 NTFHGLRBAFXNSI-UHFFFAOYSA-N 305.353 2.617 0 40 DFAB CCNC(=O)c1ccc(NC(=O)c2c(O)cccc2F)c(C)c1 132289339 HYLURPCNPRBVJV-UHFFFAOYSA-N 316.332 2.842 0 40 DFAB CCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152647 QCXKGFRVUYEMEJ-NSHDSACASA-N 307.781 2.819 0 40 DFAB C[C@@H]1COCC[C@H]1c1noc(-c2ncc3c(F)cccn23)n1 528189462 GXQLMPWWHOQZNW-NXEZZACHSA-N 302.309 2.663 0 40 DFAB Clc1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)nc1 329815634 VLAOOTUTGMQBBS-JTQLQIEISA-N 310.188 2.869 0 40 DFAB O=c1[nH]c(CNc2ccccc2)nn1CCCc1ccccc1 44889901 GAXMZNOPKQZDHH-UHFFFAOYSA-N 308.385 2.816 0 40 DFAB C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H](c2ccsc2)O1 195539323 HMKKKCIDBHROQT-JQWIXIFHSA-N 323.443 2.605 0 40 DFAB COCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 191328464 WUYAWDASSMTPAV-UHFFFAOYSA-N 316.382 2.884 0 40 DFAB COCCc1nsc(Sc2nnc(C3CC3)n2C2CC2)n1 193337309 FAPLHVBNLOWLEN-UHFFFAOYSA-N 323.447 2.682 0 40 DFAB CC(C)NC(=O)COC(=O)c1ncoc1-c1ccccc1Cl 96442052 QWXPLYBNFDIJDX-UHFFFAOYSA-N 322.748 2.676 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)c1ccc(C)nc1C 96431647 QDXYKLUBRJYTBQ-CYBMUJFWSA-N 314.385 2.904 0 40 DFAB COCCC1(C(=O)Nc2nc3cc(F)ccc3n2C)CCC1 97228026 XQTSUSKLQIXUTF-UHFFFAOYSA-N 305.353 2.858 0 40 DFAB Cc1ccc(C[C@@H](C)NC(=O)CNC(=O)CCC(C)C)s1 96414571 DPWXMKMIDMPAQS-GFCCVEGCSA-N 310.463 2.656 0 40 DFAB O=C(CNCC(F)(F)F)N[C@H]1CCC[C@H]1c1ccc(F)cc1 96423881 HMHVWNLEBQPIQO-STQMWFEESA-N 318.314 2.730 0 40 DFAB CC[C@H]1CN(CC2(O)CCC(C)CC2)CCN1CC(F)F 96487503 NUHUZOUMOUVADA-BBBYJDLNSA-N 304.425 2.589 0 40 DFAB CC(=O)N1CCC(C(=O)OC[C@H]2CCCc3ccccc32)CC1 96404087 SCVZLRJFMGXYDG-QGZVFWFLSA-N 315.413 2.908 0 40 DFAB CC(C)c1nnc2n1C[C@@H](Nc1cnc3ccccc3n1)CC2 97199323 XIZUCBKXJZDNHK-LBPRGKRZSA-N 308.389 2.772 0 40 DFAB CC(C)NC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccco3)C2)C1 96241262 GPSOAUJHSQXHFO-NVXWUHKLSA-N 323.412 2.634 0 40 DFAB CC(C)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 257203070 AOOJTDQZFDJGNI-SNVBAGLBSA-N 313.327 2.731 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)CCN3CCCC3)C2)s1 257310040 UDLINWGIJUACKC-CQSZACIVSA-N 307.463 2.643 0 40 DFAB Cc1n[nH]cc1CN1CCCC[C@@H]1c1cc(C)n2ccnc2n1 257202994 AOEMYCZFSDXQNN-MRXNPFEDSA-N 310.405 2.796 0 40 DFAB Cc1ccnc(NCc2cnn(-c3ccccc3C(=O)O)c2)c1 257210463 BUSHAQSLPWKZKD-UHFFFAOYSA-N 308.341 2.886 0 40 DFAB CC(C)OCCCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585288824 JRPSGBIWFUDKHI-RCCFBDPRSA-N 307.434 2.752 0 40 DFAB CC[C@@H](C)N1C[C@@]2(CCCN(Cc3cnc(C)s3)C2)C1=O 585099515 PKQXHZJIFBAULM-WBMJQRKESA-N 307.463 2.674 0 40 DFAB CS(=O)(=O)c1cnc2nc3ccccc3n2c1-c1ccccc1 675019938 SBWKJGLZIHQVQS-UHFFFAOYSA-N 323.377 2.953 0 40 DFAB O=C(CCc1ccncc1)N1CCC[C@H](c2nccs2)C1 72272327 GRXHCJYGBWQHEA-AWEZNQCLSA-N 301.415 2.877 0 40 DFAB Cc1cc(CN[C@@H]2CCCCNC2=O)cc(C)c1OC(F)F 54174295 TVCONJRXTDPDLT-CYBMUJFWSA-N 312.360 2.663 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 56063100 FGLHSAOKVXVLRJ-GFCCVEGCSA-N 312.416 2.879 0 40 DFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCCC2)cc1 1775963862 HBLGHJPTLPONMQ-NSHDSACASA-N 316.357 2.640 0 40 DFAB biogenic,in-vitro Cc1cncnc1N1CCN(Cc2ccc(Cl)cc2)CC1 641257622 BZDBEOARVHSLAH-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3nnnc3N2)cc1 13121788 ORNSWOUUPNRXFL-HZPDHXFCSA-N 307.357 2.828 0 40 DFAB CC(C)Cn1c(CCNC(=O)CC[C@@H](C)O)nc2ccccc21 16776804 MFIFYOJMLRWATE-CQSZACIVSA-N 317.433 2.512 0 40 DFAB CC(=O)N1CCc2cc(NCc3cccnc3N(C)C)ccc21 19019241 CJLUVRZTVVMTAD-UHFFFAOYSA-N 310.401 2.669 0 40 DFAB CCOc1ccc(OCC)c2nc3c(cc12)CNC[C@H](C)O3 19532578 KWULHMHNFOLQAI-NSHDSACASA-N 302.374 2.903 0 40 DFAB COc1ccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 429466 OONMRLIBUSBNRQ-UHFFFAOYSA-N 300.358 2.773 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1F 3505521 HBEWQUZWRBCLTN-SNVBAGLBSA-N 316.361 2.988 0 40 DFAB Clc1ccc(C2=NN=C(NC[C@@H]3CCCO3)SC2)cc1 6084826 HYHAOCKHNRLEOS-LBPRGKRZSA-N 309.822 2.916 0 40 DFAB CCn1nccc1CN(C)C(=O)c1ccc(Br)cc1 28219003 OBOQHJMCLARVMR-UHFFFAOYSA-N 322.206 2.938 0 40 DFAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2cncs2)C1 2037905614 QQPDWNYYKIODDQ-INIZCTEOSA-N 322.405 2.688 0 40 DFAB CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C)CC2)cn1 1614930157 XSQQOENGZXRKQV-GOSISDBHSA-N 315.461 2.981 0 40 DFAB CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 29160194 DUNJNRCSYRMWPF-BQYQJAHWSA-N 322.411 2.772 0 40 DFAB O=C1COc2ccccc2N1Cc1nc(-c2cccs2)no1 49422356 NRBTYFBKNFDRIU-UHFFFAOYSA-N 313.338 2.724 0 40 DFAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccn1 25406001 SNUGEZLPVPLAIN-UKRRQHHQSA-N 323.396 2.850 0 40 DFAB Cc1ccccc1CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 30514133 ZYDOZEGJVKAIKA-UHFFFAOYSA-N 324.428 2.554 0 40 DFAB CS(=O)(=O)Cc1ccc(F)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C2 101544160 XZCFSTSOVBFAAT-KCQAQPDRSA-N 323.433 2.672 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@H](C)N(C)Cc2ccco2)cc1 32664843 GHTPVKMHKORXBT-LBPRGKRZSA-N 300.358 2.941 0 40 DFAB CC(=O)NCc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 32736670 UTWPBHRKAPWMPN-UHFFFAOYSA-N 324.336 2.821 0 40 DFAB Cc1cccc(C(=O)N[C@H](C)C(=O)NC2CCCCCC2)c1 32958633 PURPTOQWUPOIED-CQSZACIVSA-N 302.418 2.952 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 52841699 MIRMGZAFULRPOB-AWEZNQCLSA-N 323.396 2.998 0 40 DFAB CC(C)C(=O)NC(=S)Nc1cccc(Br)c1 150253 ZGMSGQZLTBBYPO-UHFFFAOYSA-N 301.209 2.918 0 40 DFAB CCc1c(C)sc(NC(=O)c2ccccc2OC)c1C(N)=O 168614 UMOSMPICOIVERS-UHFFFAOYSA-N 318.398 2.979 0 40 DFAB Cc1cccc(C)c1OC[C@@H](O)Cn1c[n+](C)c2ccccc21 307225 CPNCVBFXLYBWLM-INIZCTEOSA-N 311.405 2.523 0 40 DFAB Cc1ccc(CCCC(=O)N(C)C2CCS(=O)CC2)cc1 76042118 RZRZVQKSWAMLKR-UHFFFAOYSA-N 307.459 2.687 0 40 DFAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1 1377958 BINQLUCYQMQNEI-HZPDHXFCSA-N 307.438 2.550 0 40 DFAB CC(C)Oc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1 12391463 RTDHNVVUFZOVHN-UHFFFAOYSA-N 301.346 2.760 0 40 DFAB COc1ccc(CCC[C@H]2C(=O)C[C@@H](C)OC2=O)cc1OC 1706017 QTWZJCZWBIOKLG-YPMHNXCESA-N 306.358 2.547 0 40 DFAB Cc1nnsc1-c1nnc2sc(-c3ccsc3)nn12 79488602 HYEWQJXMTDDKOQ-UHFFFAOYSA-N 306.401 2.741 0 40 DFAB CC[C@@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1 42038768 HIDXCILRCIBIRL-LJQANCHMSA-N 323.440 2.920 0 40 DFAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 4411359 QHVSPDDUZCPQEA-ZDUSSCGKSA-N 304.390 2.671 0 40 DFAB CNC(=O)CCNCc1ccc(OCc2cccc(F)c2)cc1 69875476 LFKWPKMIWMNDDK-UHFFFAOYSA-N 316.376 2.630 0 40 DFAB Cc1noc(C2CCN(C(=O)NCc3ccccc3F)CC2)n1 53747879 LQGYKFYIQKUKDP-UHFFFAOYSA-N 318.352 2.606 0 40 DFAB Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc(C)n1 54124897 MMRLNAAYZZGYIE-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CC[C@@H](NC(=O)N[C@@H](C)Cn1nc(C)cc1C)c1ccncc1 96439307 SXCGRWREAXZJOB-XJKSGUPXSA-N 315.421 2.734 0 40 DFAB CCOC1CCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1 71821394 NDWPFMCSHUEAPO-UHFFFAOYSA-N 307.419 2.584 0 40 DFAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccs1 25177961 KSDCBBCXYBSGJK-UHFFFAOYSA-N 301.367 2.667 0 40 DFAB CN(CCCOc1ccccc1)CC(=O)N1CCc2ccccc21 48057418 QDSQQJZRKQDQSI-UHFFFAOYSA-N 324.424 2.977 0 40 DFAB O=C1Cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2N1 10063806 LLXCDORVQOOFJM-UHFFFAOYSA-N 322.773 2.635 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48258438 KZULNUWGAWCDDJ-STQMWFEESA-N 319.405 2.985 0 40 DFAB CCOc1ccccc1NC(=O)c1ccccc1S(C)(=O)=O 3347499 AKPZIVJCCAQYAV-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB COc1cc2ccccc2cc1C(=O)OCC(=O)NC(C)C 3338261 JVRWLGMDULRFOL-UHFFFAOYSA-N 301.342 2.530 0 40 DFAB Cc1nnc(COC(=O)c2cc(F)c(Cl)cc2Cl)n1C 44979613 KGJSVSSEXPXDOX-UHFFFAOYSA-N 318.135 2.926 0 40 DFAB O=C(NCC(F)(F)F)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58344000 SZJBTHHIIZJWGG-GFCCVEGCSA-N 318.314 2.716 0 40 DFAB C[C@H](OCC1CC1)C(=O)Nc1ccnn1CCc1ccccc1 58393126 DTYRFIJXADKUEU-AWEZNQCLSA-N 313.401 2.879 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccco2)sc1C 48342898 PUBYLLGBVGLFCQ-GFCCVEGCSA-N 319.430 2.926 0 40 DFAB O=c1c2cccnc2ncn1Cc1ccc(C(F)(F)F)cc1 58544254 YFGGADWLGKIIFQ-UHFFFAOYSA-N 305.259 2.859 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)NC[C@H](c1cccs1)N(C)C 28415435 BQNFWIYPHJSRSO-TZMCWYRMSA-N 321.446 2.874 0 40 DFAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@H]2CCCC[C@H]2C)no1 36420466 UMOWWMVCLSXGBW-INWMFGNUSA-N 305.422 2.815 0 40 DFAB CCN(CC)CCn1c(NC(=O)C2CC2)nc2ccccc21 36648990 FOTLPDYKBTXGTG-UHFFFAOYSA-N 300.406 2.727 0 40 DFAB O=C(O)/C=C/C(=O)Nc1ccc(Sc2ccccn2)cc1 2550056 WRKYAWARUKETGX-CMDGGOBGSA-N 300.339 2.812 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N(Cc1cccs1)C1CC1 46464013 ASKKZAAMNPGJLB-GFCCVEGCSA-N 304.419 2.707 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccc(C=O)cc1)c1ccccc1 2649043 WZOAHMFGBJEONM-ZDUSSCGKSA-N 311.337 2.533 0 40 DFAB C[C@H](Sc1ccccc1C(=O)O)C(=O)NCc1ccco1 12930928 RSVKFDRFDWGAIG-JTQLQIEISA-N 305.355 2.775 0 40 DFAB CC(=O)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)n(C)c1 64328165 YWZIJLNQWZAZGS-UHFFFAOYSA-N 300.362 2.568 0 40 DFAB CCCNC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 65150956 VKSZHNVGFARJMR-ZDUSSCGKSA-N 320.458 2.615 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cc(=O)c2ccccc2o1 13988442 AGDBZDONZCMAJJ-UHFFFAOYSA-N 305.293 2.527 0 40 DFAB O=C(Cn1nnc2ccccc21)Nc1cccc2cccnc12 14095737 RYIRIAYCGNLPBI-UHFFFAOYSA-N 303.325 2.618 0 40 DFAB Cc1cc(N2CCOCC2)nc2sc3c(S)ncnc3c12 71282118 KSJOGRYHVQEDSX-UHFFFAOYSA-N 318.427 2.673 0 40 DFAB COc1ccc(CN(CC(N)=O)[C@@H](C)Cc2cccs2)cc1 14138931 RLCJRJHFGIORIJ-ZDUSSCGKSA-N 318.442 2.675 0 40 DFAB O=C(CCCc1cccs1)Nn1cnc2sccc2c1=O 14196961 MZYRYCQEBVNMKO-UHFFFAOYSA-N 319.411 2.613 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1C 65844579 LMNMWMLKTLOBFU-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1ccc(C(=O)n2nc(-c3ccco3)nc2SC)cc1 4682018 WHLUSCCSKVUUTC-UHFFFAOYSA-N 315.354 2.957 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(C)ccc2[nH]1 4696053 VXXDIMLZDOTRJQ-OAHLLOKOSA-N 302.374 2.794 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5512011 XXAXLRWIFNQUJA-UKRRQHHQSA-N 313.401 2.864 0 40 DFAB CN1CCC(NC(=O)COc2ccccc2C(C)(C)C)CC1 61031811 KZOWKAIYHLQWHQ-UHFFFAOYSA-N 304.434 2.573 0 40 DFAB Cn1nccc1CN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 96013565 PVXJLWBIPHLWCI-CABCVRRESA-N 322.453 2.736 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)[C@H]1CCCOC1 96002124 ODYWSKOSVMURNF-OCCSQVGLSA-N 300.402 2.950 0 40 DFAB CC(=O)Nc1cccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)c1 90530983 BDNMRBRPGMNUEP-AAEUAGOBSA-N 300.406 2.958 0 40 DFAB CC(C)(C)CNC(=O)C(=O)Nc1cccc(Br)c1 67424213 ROOAJJDWNMMWBS-UHFFFAOYSA-N 313.195 2.550 0 40 DFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCCCCC1 7781780 ZQAGQNNKHDRWOE-UHFFFAOYSA-N 315.417 2.626 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnc(C3CC3)s2)c1 70010854 QBYMHLTXFKISAM-CYBMUJFWSA-N 316.430 2.830 0 40 DFAB CC(C)c1nnc(NC(=O)[C@H]2COc3ccccc3C2)s1 16966020 YRAGXLZKFZOVOA-LLVKDONJSA-N 303.387 2.851 0 40 DFAB CCc1ncc(C(=O)N2CCCN(c3nccs3)CC2)s1 71831016 LLAHIXOQDKEHNH-UHFFFAOYSA-N 322.459 2.515 0 40 DFAB CCc1nc([C@@H](C)NCc2cc(=O)n3ccsc3n2)cs1 97374464 QHRACFRZZWJBBN-SECBINFHSA-N 320.443 2.626 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccccc1F 87171067 SRBUOXSDDLRDDC-GFCCVEGCSA-N 317.364 2.857 0 40 DFAB CN(C)c1ccccc1CN1CCCC[C@@H]1CN1CCCC1=O 72631116 LBKCWRKSHBCTEZ-QGZVFWFLSA-N 315.461 2.730 0 40 DFAB C[C@@]12CCCN1C(=O)N(Cc1ccccc1OC1CCC1)C2=O 97045894 UUGSUKAGDOHPCT-SFHVURJKSA-N 314.385 2.935 0 40 DFAB Cn1ccc(NC(=O)NCCCCCCCN2CCCC2)n1 72293206 QMLNJBASSZLKJR-UHFFFAOYSA-N 307.442 2.588 0 40 DFAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc3ncccn3n2)cc1 72292637 GCUCYNIPURSSBP-GJZGRUSLSA-N 321.384 2.990 0 40 DFAB O=C(CCc1cccc(Cl)c1)OCCNc1cccnn1 72314121 DIDFRNHVVSMXHD-UHFFFAOYSA-N 305.765 2.718 0 40 DFAB CC[C@H]1CCCCN1C(=O)COc1ccc(-c2nnco2)cc1 97603636 VZJOCVOLAFFKKG-AWEZNQCLSA-N 315.373 2.907 0 40 DFAB NC(=O)c1cnccc1NCc1ccnc(OC2CCCC2)c1 95467692 NFZCAIXSNXEMCG-UHFFFAOYSA-N 312.373 2.509 0 40 DFAB Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1C1CC1 95426783 GQVUAIDEJZWHPW-CVEARBPZSA-N 320.458 2.786 0 40 DFAB CN(C(=O)NCC1(c2ccc3c(c2)OCO3)CC1)C1CCC1 95405308 CLBIOKXCMDXDGF-UHFFFAOYSA-N 302.374 2.641 0 40 DFAB CCCNC(=O)CN[C@@H](C)c1cc(Br)ccc1F 95419421 QXVWXNHNNVHOCE-VIFPVBQESA-N 317.202 2.765 0 40 DFAB COCCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cn1 95420416 MONBFPLUQKSHGF-AWEZNQCLSA-N 308.422 2.543 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2CCO)C1 95987577 GJGABFNRPNAOJX-MGPQQGTHSA-N 300.468 2.607 0 40 DFAB CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)cn1 89305753 MITOMKUTODJRKZ-HNNXBMFYSA-N 319.792 2.850 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@H](O)CNC[C@H]2CCCO2)c1 9970634 PVJNDXXKEPSILW-HZPDHXFCSA-N 307.434 2.627 0 40 DFAB Cc1nnc2ccc(NC[C@@H](C)c3nc4ccccc4o3)nn12 89740960 UABNNKNKBHKQMP-SNVBAGLBSA-N 308.345 2.790 0 40 DFAB C[C@@H]1CCc2c(C(=O)NCCNc3ncccn3)csc2C1 89930110 VQCARAMRYBDQRK-LLVKDONJSA-N 316.430 2.505 0 40 DFAB O=C(NC[C@@H]1CCCOC1)c1ccc2nc(C(F)F)[nH]c2c1 552615699 UUYDXZDECRJRSS-VIFPVBQESA-N 309.316 2.657 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(Cl)nn1 72203465 OBUGYFGHCINBSX-SNVBAGLBSA-N 312.801 2.941 0 40 DFAB Cc1nccnc1OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72202961 PNIIUKGJFNWYCR-ZDUSSCGKSA-N 307.394 2.811 0 40 DFAB Cc1c(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cnn1C 72369830 MXBBZBLWGBYZDC-OAHLLOKOSA-N 323.400 2.768 0 40 DFAB CC(C)(C)[C@@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 72259949 GJKPGZNEBCUUJZ-HNNXBMFYSA-N 302.374 2.869 0 40 DFAB CCn1nncc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 563095590 FCINEEDCOCGWAN-CYBMUJFWSA-N 310.405 2.643 0 40 DFAB OCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 40231626 AUXKOOFIUBHTQI-UHFFFAOYSA-N 302.340 2.600 0 40 DFAB COc1c(Cl)cc(C(C)C)cc1C(=O)N1CCN(C)CC1 72206601 VSFJZWQOBCYGPS-UHFFFAOYSA-N 310.825 2.860 0 40 DFAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225816180 YQYYKOJJTJYFEM-INIZCTEOSA-N 309.362 2.626 0 40 DFAB COc1ccc(C[C@@H]2C(=O)Nc3ccccc32)c(OC)c1OC 40312765 USDOFAWAMJYJMW-ZDUSSCGKSA-N 313.353 2.991 0 40 DFAB biogenic Cc1c(Br)ccc(NC(=O)NCCN(C)C)c1F 194223030 APBYWLMGBBIYGY-UHFFFAOYSA-N 318.190 2.580 0 40 DFAB COc1ccc(CCC(=O)NCCSC(F)(F)F)cc1 48324129 LZAGTJZBYPJHSX-UHFFFAOYSA-N 307.337 2.997 0 40 DFAB CC[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@]2(CCOC2)O1 225786969 YKNOENFPYDJCEF-SQNIBIBYSA-N 305.418 2.644 0 40 DFAB c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)nc1 41529437 MODZYPZYHYNQEL-UHFFFAOYSA-N 308.370 2.884 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Cl)s3)C2)nn1 225425903 PYABXGHCEAIYEX-JTQLQIEISA-N 323.805 2.793 0 40 DFAB CCc1ccnc(CNC(=O)[C@@](C)(O)CCc2ccccc2)c1 225768112 KEPZEKFMVDTURJ-IBGZPJMESA-N 312.413 2.644 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccoc1 195559777 BYMNIUWDKBXCAY-TZMCWYRMSA-N 308.378 2.525 0 40 DFAB Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)ccn1 96423707 RBXYPSWZGXDZLU-UHFFFAOYSA-N 313.332 2.908 0 40 DFAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2sccc2c1 96471649 FLCUXZAPQUQQBL-CYBMUJFWSA-N 302.399 2.594 0 40 DFAB COc1ccc(Cc2nc3nccc(-c4ccccn4)n3n2)cc1 95480257 ZCFNAXKIRPPPLB-UHFFFAOYSA-N 317.352 2.786 0 40 DFAB CCN(C)c1ncnc2c1CCN(Cc1ccc(C)s1)CC2 96058791 XQEZISPUSCMKDK-UHFFFAOYSA-N 316.474 2.903 0 40 DFAB COCCC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96501378 QSCNKIWJNCGBSN-ZDUSSCGKSA-N 317.307 2.642 0 40 DFAB COC(=O)[C@@H](C)N(C(=O)c1cnc2ccccc2c1C)C1CC1 96451289 OVTMZQYKIYBBMX-GFCCVEGCSA-N 312.369 2.709 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(C)cc1 96521386 CKGNWMHTDPLLCM-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NCc2cn3c(C)cccc3n2)C1 96440603 VVNKPLZTLISFAP-TZMCWYRMSA-N 318.446 2.726 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96404723 NCZOOMYFOSQXHC-KFWWJZLASA-N 320.820 2.571 0 40 DFAB O=C(NCc1ccco1)c1cccc(CN[C@@H]2CCSC2)c1 96476636 PNKZMRBSQCWXMU-OAHLLOKOSA-N 316.426 2.805 0 40 DFAB Cc1[nH]ccc1C(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 95408743 ODMLOSUMZFOUHX-GXTWGEPZSA-N 321.421 2.746 0 40 DFAB Cc1ccc2nc(CN3CCC[C@@H]3c3cc(C)on3)cc(=O)n2c1 24746336 SHXIHXFOFLQHLW-MRXNPFEDSA-N 324.384 2.636 0 40 DFAB O=C(NCc1nccn1-c1ccccc1)[C@@H]1C[C@@H]1c1cccnc1 252490868 LDJWFJPQNWKQIA-IAGOWNOFSA-N 318.380 2.687 0 40 DFAB COc1ccc([C@H]2CN(Cc3nccs3)CCN2C)cc1 257230696 GDLXZCBRMPEOBP-OAHLLOKOSA-N 303.431 2.640 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H]2c2cnccn2)c2ccccc21 257332445 XXJDJPOLOMLAEJ-QGZVFWFLSA-N 306.369 2.946 0 40 DFAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 357297686 LWTQFVQWXDSRSO-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB CCOCC[C@H]1CN(C(=O)C2=CCCC2)Cc2cccn2C1 585095298 OJOVNXNWVBDWJV-OAHLLOKOSA-N 302.418 2.983 0 40 DFAB O=C(N[C@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1cccs1 585110257 QDIXMZXCHUGRIQ-ZNMIVQPWSA-N 313.426 2.536 0 40 DFAB Cn1ccs/c1=N\C(=O)c1c[nH]c(=S)n1-c1ccccc1 29649972 JCCKQCGSXSDMJL-PEZBUJJGSA-N 316.411 2.676 0 40 DFAB C[C@H](CNC(=O)N(C)Cc1ccncc1)Oc1ccccc1F 74795223 UJHNSXPBFGWTNE-CYBMUJFWSA-N 317.364 2.830 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 74890745 POTDFGDXZQIIHR-BFHYXJOUSA-N 322.478 2.973 0 40 DFAB CC(C)C[C@@H](C(=O)N[C@@H](C)c1nccs1)N1CCCCC1=O 87254069 DPBSOTPBQCDLDY-STQMWFEESA-N 323.462 2.748 0 40 DFAB COc1ccccc1CC(=O)N1CCN(C)c2ccc(F)cc21 81073989 MSDUPTUPSYHHTM-UHFFFAOYSA-N 314.360 2.860 0 40 DFAB Cc1nc(-c2cc(C(=O)N3CCC[C@@H]([C@@H](C)O)C3)co2)cs1 89712556 JWDRDQVDXYOAQM-ZYHUDNBSSA-N 320.414 2.945 0 40 DFAB O=C1NC(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)S1 1188153 JOXYQPMYDWRLRU-XYOKQWHBSA-N 315.306 2.823 0 40 DFAB O=[S@](Nc1ccccc1)c1ccc(N2CCOCC2)cc1 5593482 DLLUSKNUQYXCID-OAQYLSRUSA-N 302.399 2.658 0 40 DFAB O=C(Cc1cccs1)Nc1cnn(CC2CCOCC2)c1 206837531 GEOQMBHSPOWMMV-UHFFFAOYSA-N 305.403 2.552 0 40 DFAB Cc1cnc2[nH]c(C(C)C)c(CN3CCC[C@H](C(N)=O)C3)c2c1 19124938 HSGCVYKUFCMCET-ZDUSSCGKSA-N 314.433 2.692 0 40 DFAB COc1ccc(NC(=O)c2ccc3nc(C)cn3n2)cc1Cl 1888906719 YSYZKYRQIZEJGR-UHFFFAOYSA-N 316.748 2.952 0 40 DFAB C[C@@H]1OCC[C@@H]1C(=O)N1CCc2cc(Br)ccc2C1 225387792 MRCVCNJJYOBMPD-HZMBPMFUSA-N 324.218 2.759 0 40 DFAB Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccncc1 1565549948 KPBLUHMGJYEHLC-OALUTQOASA-N 321.424 2.765 0 40 DFAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Cc1ccsc1 225600250 WIFAWOUGFNFLOM-LBPRGKRZSA-N 301.411 2.973 0 40 DFAB O=C(NCc1cc(C2CC2)ncn1)c1cc(-c2ccco2)on1 585361075 ZDIFUFWZXHNXCW-UHFFFAOYSA-N 310.313 2.532 0 40 DFAB c1cnc(OC[C@@H]2CCN(c3ccnc4ccsc34)C2)cn1 2298217622 FTCHNBYJECEANR-GFCCVEGCSA-N 312.398 2.992 0 40 DFAB Cc1ccnn1[C@H](C)C(=O)Nc1cnn(CCc2ccccc2)c1 72247127 IXMONKXZJJVDRR-OAHLLOKOSA-N 323.400 2.830 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1 40527002 YYJGHVXYDUDAQC-CYBMUJFWSA-N 311.385 2.858 0 40 DFAB COc1cccc(-c2nnn(CCOc3ccccc3F)n2)c1 32946458 XGWWRMJULXMMGV-UHFFFAOYSA-N 314.320 2.567 0 40 DFAB CCOc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1O 401014 WRNJLZLUZJFBGZ-UHFFFAOYSA-N 300.358 2.741 0 40 DFAB COC(=O)Oc1cc2oc(=O)sc2cc1Br 128601 IIZJTEOXPXRALI-UHFFFAOYSA-N 305.105 2.762 0 40 DFAB Cc1nn(CCC(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 2809519 XTPBEBXUZFFTMK-UHFFFAOYSA-N 307.737 2.572 0 40 DFAB CNC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 1377609 AJVWNWKMKOEJSP-IAGOWNOFSA-N 317.502 2.974 0 40 DFAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C 1379736 KIVOEQWXQQSGKV-CYBMUJFWSA-N 319.405 2.606 0 40 DFAB CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ncn2)cc1 1571893 JBJGDXLKCZRJAY-UHFFFAOYSA-N 320.736 2.951 0 40 DFAB NCCS/C=C\C(=O)Oc1ccc(Br)cc1 4776041 BHMOGSUYCNCGTK-ALCCZGGFSA-N 302.193 2.560 0 40 DFAB C[C@@H](NC(=O)c1cccnc1S)c1ccc2c(c1)CCO2 61633862 LTTWJNVQQYVACF-SNVBAGLBSA-N 300.383 2.796 0 40 DFAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1c1cccs1 8319907 WLIKUSARDMQZAJ-NSHDSACASA-N 309.435 2.509 0 40 DFAB CC(=O)c1ccc(N2C(=O)C/C(=C\c3ccccc3O)C2=O)cc1 8627850 TWFFYDNKLQQBRP-XNTDXEJSSA-N 321.332 2.942 0 40 DFAB Cc1cccnc1NC(=O)NC[C@H](c1cccs1)N(C)C 43145885 UXVRASBQCBDOGV-GFCCVEGCSA-N 304.419 2.876 0 40 DFAB Cc1cc(CS(=O)(=O)N(C)[C@H](C)c2ccc(F)cc2)on1 72275130 RFVDWPSUKZCFDV-LLVKDONJSA-N 312.366 2.645 0 40 DFAB O=C(O[C@H]1CCS(=O)(=O)c2sccc21)c1ccccc1 1393100 UASZOFQPEKXTOU-LBPRGKRZSA-N 308.380 2.824 0 40 DFAB CCOc1ccccc1C(=O)OCc1nc(N)c2ccccc2n1 9208967 RMRFWHJULRBFQH-UHFFFAOYSA-N 323.352 2.968 0 40 DFAB CN(Cc1ccccc1F)Cn1nnc(-c2ccc(F)cc2)n1 9314962 WKISOLGIIVWFLM-UHFFFAOYSA-N 315.327 2.708 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 43417439 YGKCGFZAJVANEB-AAEUAGOBSA-N 310.419 2.790 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC(O)CC1 43603819 CMUFYKBYPFUUQG-UHFFFAOYSA-N 310.423 2.574 0 40 DFAB C[C@@H](Sc1nnnn1-c1ccccc1)c1nc(C2CC2)no1 53316736 PQKDHJXWUOEZEB-SECBINFHSA-N 314.374 2.776 0 40 DFAB COc1cccc2c1CC[C@@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1 107590242 QRUANCLJVWSRSQ-ZOWXZIJZSA-N 304.390 2.501 0 40 DFAB CN1CC[C@@H](NC(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 97236612 ZUNOQSLBYKIHNR-SJORKVTESA-N 314.360 2.707 0 40 DFAB CCn1c(=O)n(CC(=O)NC2CCCCCC2)c2ccccc21 12607958 ODDMONUYDVHPHZ-UHFFFAOYSA-N 315.417 2.662 0 40 DFAB COc1ccc(C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 44367655 OEHIFFYJKWBKMF-UHFFFAOYSA-N 323.348 2.954 0 40 DFAB Cc1ccc(Oc2ccc(N[C@H]3CC(=O)N(C)C3=O)cc2)cc1 12632585 XVBBYRWWUOGKNI-INIZCTEOSA-N 310.353 2.957 0 40 DFAB CCN1C[C@H](CN(C)C(=O)c2ccco2)Oc2ccccc21 58195964 OKNJOGIQZVEXMA-ZDUSSCGKSA-N 300.358 2.639 0 40 DFAB CC[C@@H](C)[C@H](C(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 73119433 ZETNDRAHYPLRLO-QAPCUYQASA-N 316.445 2.897 0 40 DFAB CN(C)c1ccncc1CNC[C@@H](O)c1ccccc1Cl 97115685 XTULXTHZQYFKLY-MRXNPFEDSA-N 305.809 2.624 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2n1 27893304 XVVHEYXOWJTNRJ-JOYOIKCWSA-N 319.430 2.914 0 40 DFAB COc1ccc(C)cc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O 58331924 RPIAFBOZUIGKDE-UHFFFAOYSA-N 314.385 2.614 0 40 DFAB CC(C)CCO[C@@H](C)C(=O)NCc1ccccc1CN(C)C 58343919 HIGWBMTWRLMKKY-HNNXBMFYSA-N 306.450 2.816 0 40 DFAB O=C(c1ccccc1F)N(CC(F)(F)F)C1CCNCC1 36286421 HSJACNKFYZXKHW-UHFFFAOYSA-N 304.287 2.582 0 40 DFAB in-vitro NC(=O)c1ccccc1OCC(=O)C12CC3CC(CC(C3)C1)C2 12881011 WRZGQQJKAAHLRK-UHFFFAOYSA-N 313.397 2.950 0 40 DFAB CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1 2632868 CIGQGDFNXCKNEB-UHFFFAOYSA-N 304.371 2.874 0 40 DFAB CC[C@@H](C)NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O 4090009 JHONEVVMLBULTG-SNVBAGLBSA-N 303.358 2.573 0 40 DFAB biogenic O=C(NCCn1cccc1)NC[C@@H]1CCO[C@H]1c1ccccc1 84441501 MPYARROSIOKYJB-IRXDYDNUSA-N 313.401 2.565 0 40 DFAB CN(C)CC(C)(C)CNC(=O)Cc1cccc(C(F)(F)F)c1 49946412 DPGDYIKSYLWSAK-UHFFFAOYSA-N 316.367 2.952 0 40 DFAB COc1ccccc1-c1nnc(CSc2nnc(C)o2)o1 20034091 PDIPCFTUJWKLFN-UHFFFAOYSA-N 304.331 2.729 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCOCCc1ccccc1 84529169 NRZVJHXUUGQOJC-IAGOWNOFSA-N 313.397 2.587 0 40 DFAB COC[C@@H](C)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 65428238 BLVLSTJTNRWDNP-CHWSQXEVSA-N 317.389 2.752 0 40 DFAB Cc1ccc(-c2cc(CN(CC(N)=O)C3CCCC3)on2)cc1 65473622 HTPLLYDQEDTHJQ-UHFFFAOYSA-N 313.401 2.880 0 40 DFAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCc4nccn4C3)on2)cc1 65465687 WGHLTFNARCUTSW-AWEZNQCLSA-N 322.368 2.591 0 40 DFAB Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccccc1 4691611 AXEKPYFJYHSXIT-UHFFFAOYSA-N 313.353 2.864 0 40 DFAB COC(=O)Nc1ccc(CNC(=O)Nc2cccc(C)n2)cc1 96013087 VIAQXKQQZMFKTE-UHFFFAOYSA-N 314.345 2.890 0 40 DFAB CC(C)c1nc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)no1 96000807 WXTGWGRFDWLEEU-ZDUSSCGKSA-N 319.336 2.546 0 40 DFAB CO[C@H](C(=O)N[C@H](c1nccc(C)n1)C1CC1)c1ccccc1 96004031 FEWXOUSFZQGPBK-HOTGVXAUSA-N 311.385 2.740 0 40 DFAB COc1ccccc1Nc1nc2ccc(C)cc2n2nnnc12 6785979 UXBXMOMGSZDIQB-UHFFFAOYSA-N 306.329 2.733 0 40 DFAB CC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 19796640 PLDIPHNAEGHYSL-MRVPVSSYSA-N 317.370 2.512 0 40 DFAB COc1ccc(C(=O)NCCOc2ccccc2)cc1OC 6847717 CKNRYHGQZPECNO-UHFFFAOYSA-N 301.342 2.513 0 40 DFAB COc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1 6998222 ZUHYLFGSMVTKST-UHFFFAOYSA-N 318.760 2.717 0 40 DFAB CCOc1cc(NC(=O)NC2CCN(CC)CC2)ccc1C 67347751 ZPVJKRURULCXCW-UHFFFAOYSA-N 305.422 3.000 0 40 DFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NCc1ccco1 9318506 WUGAKQWXSFXUPO-UHFFFAOYSA-N 322.777 2.613 0 40 DFAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7240390 OAIJNZJUINPEJL-LBPRGKRZSA-N 311.385 2.787 0 40 DFAB CN1CCN(Cc2cnc(-c3cccs3)s2)C(C)(C)C1=O 93642687 NZWDZVSHKHNDFQ-UHFFFAOYSA-N 321.471 2.924 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)c1c[nH]c2ccccc12 7535218 PVCLWJBKHGZKCV-ZETCQYMHSA-N 304.400 2.965 0 40 DFAB CCOc1cc(CNn2cnnc2)ccc1OCc1ccccc1 7602401 HEJAGIUTJJNVBS-UHFFFAOYSA-N 324.384 3.000 0 40 DFAB c1n[nH]c(SCc2csc(-c3ccc4c(c3)OCO4)n2)n1 69375539 KSJCDQNWUAQXKB-UHFFFAOYSA-N 318.383 2.949 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)c1 69415316 BBZCYUFRQQYOCK-KRWDZBQOSA-N 312.417 2.773 0 40 DFAB O=C(CNC(=O)C1CCCCC1)Nc1cccc2cccnc12 9533417 SPHXRYIVCYMEFN-UHFFFAOYSA-N 311.385 2.870 0 40 DFAB COc1ccc(SC[C@H]2CN=C(N3CCOCC3)S2)cc1 69696489 QJPHOABANYKZEQ-CQSZACIVSA-N 324.471 2.591 0 40 DFAB COc1ccc(CCN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc1 71880502 RQYGTPLZNZWSMD-RTBURBONSA-N 316.445 2.713 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 69848691 RYGLBSYEBUBHQE-GFCCVEGCSA-N 306.797 2.904 0 40 DFAB COC(=O)c1cccc(CC(=O)N2CCC[C@@H]2c2ccncc2)c1 95442236 BQZSYXPLIUADFK-QGZVFWFLSA-N 324.380 2.774 0 40 DFAB Clc1cccnc1OCCNc1ncnc2ncccc12 95973324 KELPQNYCKWIUCC-UHFFFAOYSA-N 301.737 2.564 0 40 DFAB Cc1ccnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 95994810 SYTBQLRSURCBJM-UHFFFAOYSA-N 311.311 2.842 0 40 DFAB Cc1cc(CC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)n[nH]1 89599130 KNZFAXSGBHCKPR-HNNXBMFYSA-N 311.385 2.823 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)c1ccc2nncn2c1 89813978 SDBTVBVZFQUXHC-UHFFFAOYSA-N 322.368 2.591 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cccn2)C1 89894275 LVBPGRBWYUDDDR-HUUCEWRRSA-N 322.453 2.508 0 40 DFAB C[C@@H](NCC(=O)NC(C)(C)C)c1cccc(OC(F)F)c1 89905271 CFJSQLDUPASBLJ-SNVBAGLBSA-N 300.349 2.853 0 40 DFAB Fc1cccc(CN2CCC(c3n[nH]c4nccnc34)CC2)c1 72393755 QVKNGUAGLMMSQH-UHFFFAOYSA-N 311.364 2.872 0 40 DFAB C[C@@H](NC(=O)c1cc2ccc(O)cc2oc1=O)c1ccccc1 408802842 ICLXBLZBFIKDAO-LLVKDONJSA-N 309.321 2.990 0 40 DFAB COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 113948252 SSMYAGFEKNDCON-RBSFLKMASA-N 303.402 2.941 0 40 DFAB COc1cccc(Cn2cc(NC(=O)c3ccncc3)cn2)c1 28220828 IWVVEEOPJYGORS-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB CCCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C 71195889 JAAGCKKWTZAAIH-CYBMUJFWSA-N 313.467 2.735 0 40 DFAB O=C(NCCCO[C@H]1CCCc2ccccc21)c1cnccn1 70874577 AXKUVSUYPNNDRF-KRWDZBQOSA-N 311.385 2.691 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C1 72239730 XEPMPSHBZXRECY-NFAWXSAZSA-N 320.458 2.744 0 40 DFAB CCOc1cc(C(=O)N2CCCc3cc(OC)ccc3C2)on1 564409201 XEQHLCOVUPYMQH-UHFFFAOYSA-N 316.357 2.671 0 40 DFAB CN(Cc1cccn1C)C(=O)c1ccc2c(c1)nc(Cl)n2C 222560571 HYDWEWWGNFPXHV-UHFFFAOYSA-N 316.792 2.837 0 40 DFAB CCCNC(=O)c1cc2nc(C(=O)OC)n(CC)c2cc1Cl 225730240 MJXMTHBHCDSIRG-UHFFFAOYSA-N 323.780 2.636 0 40 DFAB COc1ccc(NC(=O)C2(CC(=O)NC(C)C)CCCC2)cn1 40462603 RJQRQBCRQQJRJF-UHFFFAOYSA-N 319.405 2.504 0 40 DFAB CC(C)c1ccoc1C(=O)N1CCN(c2ccc(F)cn2)CC1 225811724 ZPBJOMIKLCDTFN-UHFFFAOYSA-N 317.364 2.900 0 40 DFAB O=C(NC[C@H]1CCNC[C@@H]1C(F)(F)F)OCc1ccccc1 199714822 GSKKUDWXZVWAMK-OLZOCXBDSA-N 316.323 2.701 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)N1CCC([C@H]2CCCO2)CC1 190123487 MXCKYLFJLBFMHO-OAHLLOKOSA-N 316.405 2.777 0 40 DFAB O=C(c1ccc2nncn2c1)N(CCC(F)(F)F)CC1CC1 84234615 RZODEJZCPSNEQL-UHFFFAOYSA-N 312.295 2.534 0 40 DFAB CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 225146975 IHBILXHMAJUTFA-UHFFFAOYSA-N 319.382 2.596 0 40 DFAB O=C(O)c1cc(/C=C/c2cc(Cl)c3c(c2)OCCO3)ncn1 533123986 CUDKXOIMYSXMRX-OWOJBTEDSA-N 318.716 2.770 0 40 DFAB COc1ccccc1-c1nnc([C@H]2CCN(c3ncccn3)C2)o1 49171315 MHMJYSROTLPACB-LBPRGKRZSA-N 323.356 2.529 0 40 DFAB biogenic,in-vitro Cc1cn(-c2ccccc2)nc1OCC(=O)Nc1ccccn1 226852167 SDKGQCZNIUJUBF-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB COc1cccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)c1 96041599 SCWSXQPOYGGTBP-IPMKNSEASA-N 317.429 2.854 0 40 DFAB O=C(CC1(O)CCCC1)NC[C@H](O)c1ccc2ccccc2c1 96475229 DVPWBWNPLFHHDC-KRWDZBQOSA-N 313.397 2.685 0 40 DFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)C1[C@H]2CCC[C@@H]12 96452086 COXJSROLWFFOKN-RBKKPWLPSA-N 313.319 2.901 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)CCCn2ccnc2)C12CCCC2 96432589 SRWBAWAPKQDUMF-GJZGRUSLSA-N 305.422 2.517 0 40 DFAB C[C@@H](CCc1cccc(F)c1)NC(=O)N(C)C[C@H]1CCOC1 95408190 OXPDZTIRHPZYFX-DZGCQCFKSA-N 308.397 2.825 0 40 DFAB C[C@H](N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(F)cc1F 347648080 GMMOQHWFLYTVOP-ZBEGNZNMSA-N 304.340 2.712 0 40 DFAB CN(C)c1cccc(CC[C@H]2CCCCN2c2ncccn2)n1 257282982 OWDFPEQMCWGWMT-MRXNPFEDSA-N 311.433 2.929 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2C)c1 24500787 MQFGKIDZFUGIIW-UHFFFAOYSA-N 300.358 2.677 0 40 DFAB Cc1nc[nH]c1CN1CCNC[C@@H]1c1ccc(OC(C)C)cc1 257308295 TWFLELMGZSBRTP-GOSISDBHSA-N 314.433 2.652 0 40 DFAB CO[C@@H]1CCCOC12CCN(C(=O)c1cccc(F)c1)CC2 257246966 IWTCTMWUOSWIHI-OAHLLOKOSA-N 307.365 2.626 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@@H]1c1ccn[nH]1 257282336 OTIYYLKDTHXBMG-MRXNPFEDSA-N 323.400 2.972 0 40 DFAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(O)c1 24623139 AGCDHNDTABUCQG-UHFFFAOYSA-N 321.380 2.875 0 40 DFAB O=C(C1CCCCC1)N1CCc2[nH]nc(-c3cccnc3)c2CC1 585110387 OEKJMKUWDZMWKX-UHFFFAOYSA-N 324.428 2.979 0 40 DFAB CCOC(=O)C[C@H](n1ccc(C(F)(F)F)n1)C(F)(F)F 685936499 BGOHCCOHAHHDRP-ZETCQYMHSA-N 304.190 2.959 0 40 DFAB Cc1cccc(OCC(=O)N(C)Cc2nc3ccccc3[nH]2)c1 29329742 CAUVWKDIJNYYRG-UHFFFAOYSA-N 309.369 2.909 0 40 DFAB C[C@H](c1cccc2ccccc12)N1CCO[C@H](Cn2cncn2)C1 72253398 XJHDDSRIWYNZAI-WBVHZDCISA-N 322.412 2.893 0 40 DFAB COc1cccc([C@H](Nc2ccc3nnnn3n2)C(C)(C)C)c1 75105793 MYDBGXSZTHFVQG-HNNXBMFYSA-N 312.377 2.727 0 40 DFAB C[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@H]1O 89424198 PYOVPMKDIHMXPY-DOMZBBRYSA-N 316.426 2.577 0 40 DFAB CC(C)(C)c1ccc2c(c1)[C@@H](NCC1(CO)COC1)CCC2 90606274 NMTJRFOVCIFGOQ-KRWDZBQOSA-N 303.446 2.960 0 40 DFAB COC[C@](C)(NC(=O)c1cc(C(C)C)nn1C)c1ccccc1 79737799 LZWCZJMEQGWNLX-SFHVURJKSA-N 315.417 2.835 0 40 DFAB c1ccc(-c2cc(CN3CCS[C@H]4COCC[C@H]43)n[nH]2)cc1 108370247 ROOZUKSEEJXFCB-SJORKVTESA-N 315.442 2.783 0 40 DFAB CC1(C)CN(C(=O)c2cnn3ncccc23)Cc2ccccc2O1 579545576 OTDCMXOSBXMNHY-UHFFFAOYSA-N 322.368 2.543 0 40 DFAB CC1(C)CCN(CC(=O)NCc2ncc(-c3ccccc3)o2)C1 577624162 GLZLMEBHUSMYEQ-UHFFFAOYSA-N 313.401 2.690 0 40 DFAB NC(=O)CCn1cc(/C=N/Nc2ccccc2)c2ccccc21 7095110 OPVNTJOUNZPJBF-UDWIEESQSA-N 306.369 2.963 0 40 DFAB CCOCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 5077599 HPTTVSNWOHGHSB-UHFFFAOYSA-N 317.414 2.903 0 40 DFAB O=C(O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 5179947 ODNSOLBMBSRWPW-OZVVPTBGSA-N 319.744 2.574 0 40 DFAB O=c1[nH]c(-c2ccccc2)nc2c1OCN(Cc1ccccc1)C2 17380856 HHIGLELKXRBSBP-UHFFFAOYSA-N 319.364 2.789 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2nc(O)cc(C(C)C)n2)on1 19119871 UJHKJBIFTNGLHB-GFCCVEGCSA-N 316.361 2.579 0 40 DFAB COC(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ncccc12 19557811 XOGSJNFHERWIJH-UHFFFAOYSA-N 310.309 2.594 0 40 DFAB COc1ccc([C@H](NC(=O)CC2CCN(C)CC2)C2CC2)cc1 19748354 AAVRVDXTTZDHGC-LJQANCHMSA-N 316.445 2.994 0 40 DFAB O=C(CSCC(=O)NC1CCCCC1)Nc1ccc(F)cc1 148696 NBEDFCWXADXDAK-UHFFFAOYSA-N 324.421 2.946 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCCC3)c(Cl)cc12 5040178 UAKQPFVLJQBMLG-UHFFFAOYSA-N 321.760 2.756 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)C1 5505814 ITFUOMXNMZIMKZ-STQMWFEESA-N 323.820 2.930 0 40 DFAB Cc1csc2c(N3CC[C@@H](C(=O)NC(C)(C)C)C3)ncnc12 1889091455 KBDOCKFGPVPIJW-LLVKDONJSA-N 318.446 2.741 0 40 DFAB O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(O)cc1O 22132730 ZWFLXGXKSMSTBE-UHFFFAOYSA-N 310.309 2.641 0 40 DFAB COc1ccc(Cl)cc1Nc1nnc(C(C)(C)C)c(=O)[nH]1 5154420 WDDZOBCVQCKDMD-UHFFFAOYSA-N 308.769 2.868 0 40 DFAB CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(C)ccc21 12444255 LOEPNQBZBINXJP-BMRADRMJSA-N 300.387 2.506 0 40 DFAB O=C(c1nccc2ccccc12)N1CC(COc2cccnc2)C1 1775969573 YXMUFAMWOPEBNF-UHFFFAOYSA-N 319.364 2.781 0 40 DFAB COc1cc2c(cc1OC)CN(c1ncnc3cnccc13)CC2 2086894034 TWAKKQOFQNNCGA-UHFFFAOYSA-N 322.368 2.605 0 40 DFAB O=C(N[C@@H]1CCN(c2nccs2)C1)c1cc2ccccc2o1 206808167 ABOSWQQDHYPTDR-GFCCVEGCSA-N 313.382 2.898 0 40 DFAB Cc1noc(C)c1CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 40494093 WHPSOSVLUDEVDK-GFCCVEGCSA-N 322.430 2.888 0 40 DFAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2O)cc1 353620 XXJXRUHRQNIGSP-UHFFFAOYSA-N 308.341 2.842 0 40 DFAB Cc1csc(SCc2csc(CC(=O)N(C)C)n2)n1 32831988 YTRLZFIWTPQZCR-UHFFFAOYSA-N 313.473 2.831 0 40 DFAB CC(=O)Nc1cc(NC(=O)c2cc(F)ccc2F)ccc1O 32923983 PFYDQZUSBOKYII-UHFFFAOYSA-N 306.268 2.881 0 40 DFAB O=C(NC[C@H]1CCOC1)C1(c2ccc(Br)cc2)CC1 41368808 UZHWTINQPYUKQD-LLVKDONJSA-N 324.218 2.633 0 40 DFAB O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CCCO1 70874446 FMOSELHQVXLVIN-DLBZAZTESA-N 303.402 2.766 0 40 DFAB O=C(NC[C@H]1COCCO1)N1CCC[C@H]1CC1CCCCC1 60990732 PMPFYBCJUCKODF-HOTGVXAUSA-N 310.438 2.546 0 40 DFAB C1C[C@H](c2noc(C3CC3)n2)N(Cc2nnc(C3CC3)o2)C1 76047718 WBHWQXBZTUXWEA-LLVKDONJSA-N 301.350 2.545 0 40 DFAB CCC(=O)N1CC[C@H](NCC2=Cc3ccccc3OC2)[C@@H](C)C1 76058038 INDXIUBDTZVVBV-YOEHRIQHSA-N 314.429 2.699 0 40 DFAB COc1cccc([C@H](Cc2ccccc2)NC[C@H](C)O)c1OC 1666323 ZHZJTNMMMGZJNB-YOEHRIQHSA-N 315.413 2.958 0 40 DFAB COc1ccc(Cc2noc(C3CCOCC3)n2)cc1OC 78774590 MXJUZZFRSYLFPI-UHFFFAOYSA-N 304.346 2.572 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)NOCc1ccccc1 78848091 XYUCZAZOPBMBHD-LLVKDONJSA-N 303.362 2.653 0 40 DFAB COc1ccccc1CC(=O)NCCCc1nc2ccccc2[nH]1 22488855 ITCTXBPDLXVYPS-UHFFFAOYSA-N 323.396 2.863 0 40 DFAB Cc1nc(N2CCNCC2)c2c3c(sc2n1)C[C@H](C)CC3 4848707 SVALUENWPLKUMZ-SNVBAGLBSA-N 302.447 2.534 0 40 DFAB O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1 3045485 YTFWXVCJKWERHG-UHFFFAOYSA-N 303.261 2.639 0 40 DFAB CC(C)(C)c1ccc(OCC(=O)NC2CCC(O)CC2)cc1 8266090 GFEMTADKSYUFSA-UHFFFAOYSA-N 305.418 2.783 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1cccnc1 97014653 QOMQLZIIURBUQG-DYEKYZERSA-N 303.362 2.547 0 40 DFAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 23387298 KLJZMLJMEVCGHE-NXEZZACHSA-N 306.284 2.599 0 40 DFAB CC(C)Cn1cc(N[C@@H](C)c2ccc(-n3cnnn3)cc2)cn1 97038658 IAQUFMVMSZVDIO-ZDUSSCGKSA-N 311.393 2.688 0 40 DFAB O=S(=O)(CCN1CCCc2ccccc21)Oc1ccccc1 24164276 AIMRVIWAPBZEIX-UHFFFAOYSA-N 317.410 2.848 0 40 DFAB CCN1CCOc2ccc(NC(=O)c3cccs3)cc2C1=O 9828124 YFSFCXBWFYMGCS-UHFFFAOYSA-N 316.382 2.855 0 40 DFAB CCOc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1 3220129 OWKYDJMYZOFKFD-UHFFFAOYSA-N 313.353 2.559 0 40 DFAB C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1 97038983 RAAUWSUIXJKTFJ-XHDPSFHLSA-N 313.344 2.538 0 40 DFAB CC[C@@H]1C[C@@H](C(=O)N[C@H](c2ccn(C)c2)C(F)(F)F)CCO1 108464420 VYMATKZBYLXLOK-CYZMBNFOSA-N 318.339 2.950 0 40 DFAB Cn1ccs/c1=N\C(=O)CCC(=O)c1ccc2c(c1)CCC2 102822786 PMNMMDKZOMDJJC-ZCXUNETKSA-N 314.410 2.666 0 40 DFAB Cc1cccc(C(=O)NC[C@H](CCC(=O)O)C(F)(F)F)c1 12770534 OXMCHHOCLNQIAV-NSHDSACASA-N 303.280 2.768 0 40 DFAB CC[C@@H]1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 44968706 SXXFEBXOHUSZIE-CQSZACIVSA-N 313.405 2.599 0 40 DFAB COc1ccc(C)cc1[C@H](C)NCc1c(C)nn(C)c1N(C)C 58391208 MLUFMULFBCREFQ-ZDUSSCGKSA-N 316.449 2.962 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1cccnc1Cl 3397127 RLWZUXGGOOVPID-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1 27939917 LMIVWHZCEZWSGH-LBPRGKRZSA-N 322.405 2.930 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(C(N)=O)cc2)C1(C)C 58403981 PVWLLTDJPZAZMA-CABCVRRESA-N 300.402 2.640 0 40 DFAB Cc1cc(C(=O)NCc2ccccc2C)nc(N2CCCC2)n1 72239870 DJXSXOMKSMFPAP-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 10752242 FARFHQJIOFNDOS-INIZCTEOSA-N 303.383 2.661 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)OCO2 36627887 RDANHSZFKONERP-QLJPJBMISA-N 313.309 2.582 0 40 DFAB COc1ccnc(NCc2ccc(NC(=O)c3ccco3)cc2)n1 11607786 MNJYGCMXBCYYIN-UHFFFAOYSA-N 324.340 2.943 0 40 DFAB CCn1ccnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 11889867 PODZOXPYMMMJCL-JTQLQIEISA-N 319.386 2.751 0 40 DFAB CC(C)Cc1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 38361530 BAWJSOFBPMDHIG-CZUORRHYSA-N 319.449 2.755 0 40 DFAB COc1ccc(F)cc1C[S@](=O)Cc1cn2ccccc2n1 83944761 XCZIGRXJAQMHEF-JOCHJYFZSA-N 318.373 2.931 0 40 DFAB COc1cc2ccn(CCOCC(F)(F)F)c(=O)c2cc1F 96007492 KRHHQKOHNCBJNO-UHFFFAOYSA-N 319.254 2.728 0 40 DFAB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)nc1 14207691 OPDAGFIGGNQLQK-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB CN1CCN(c2ccccc2NC(=O)/C=C/c2ccco2)CC1 6624692 LIFDZHQNDKAGDP-CMDGGOBGSA-N 311.385 2.683 0 40 DFAB Cc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632507 ZKVJBCASIOVKMW-KBPBESRZSA-N 321.373 2.836 0 40 DFAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2ccccc21 4724197 HFGDICGGSQECAP-LJQANCHMSA-N 324.380 2.689 0 40 DFAB COc1ccc(CCC(=O)N2CCCC[C@@H]2CN(C)C)cc1 66948667 YKYYTZHPVCMTKZ-MRXNPFEDSA-N 304.434 2.571 0 40 DFAB CC(C)OCCN(C)S(=O)(=O)c1c(F)cccc1Cl 97147143 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O=C(O)Cn1cc(/C=C/c2nc(-c3ccccc3)cs2)nn1 95442891 VZENUVVEJLDLPM-VOTSOKGWSA-N 312.354 2.657 0 40 DFAB C[C@@H](C(=O)N1CCC(n2ccnn2)CC1)c1ccc(Cl)s1 95979276 CCLZTKQKDOWVAH-SNVBAGLBSA-N 324.837 2.960 0 40 DFAB O=C(CCSCC1CCOCC1)NCc1ccc(F)cc1 95962205 OOADEHXJOXAIJI-UHFFFAOYSA-N 311.422 2.992 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)c1cccc(-c2nnc(C)o2)c1 89736408 FBQKPBNKTMZCTR-UONOGXRCSA-N 302.330 2.769 0 40 DFAB O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@@H]1CCCNC1=O 75582204 NIVACCBCOGXEBU-CQSZACIVSA-N 323.352 2.986 0 40 DFAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1ccon1 519404733 OZZZRHXDRRWYIE-KRWDZBQOSA-N 302.349 2.980 0 40 DFAB Cc1nc(CC(=O)Nc2cn(C)nc2-c2ccco2)c(C)s1 529839452 DWWHCQXYTCJDNQ-UHFFFAOYSA-N 316.386 2.935 0 40 DFAB O=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72369495 QJQHZBYQRRVRLZ-HNNXBMFYSA-N 323.400 2.556 0 40 DFAB COC(=O)[C@]1(C(=O)O)C[C@H]1c1c(OC)ccc2ccccc12 217454312 SSMXSCDRERMABQ-YVEFUNNKSA-N 300.310 2.580 0 40 DFAB COC(=O)c1ccc(C(=O)NCc2ccc(C3CC3)nc2)cc1 1565522960 CVVOYHQGKDVKLQ-UHFFFAOYSA-N 310.353 2.676 0 40 DFAB Cc1ccc(C)c(CC(=O)NC[C@@H]2COc3ccccc3O2)c1 76123414 OWOHCIXZZKPJIC-MRXNPFEDSA-N 311.381 2.802 0 40 DFAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)Oc2ccccc21 72338380 JMWMEVNWEDRLEI-LJQANCHMSA-N 308.381 2.801 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 72382404 RDROVXCFVUSZAT-AWEZNQCLSA-N 311.389 2.915 0 40 DFAB CCOC(=O)C[C@H](C)SCc1cn2c(C)cc(C)nc2n1 79359006 LMFFYPIFUMDZEW-LBPRGKRZSA-N 307.419 2.921 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@H]2c3ccccc3C[C@@H]2C)n1 74368118 ZWGWEVMNGWBAIM-ZUZCIYMTSA-N 316.430 2.645 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238215 FSBRAVFWDVQKLH-RDJZCZTQSA-N 302.418 2.773 0 40 DFAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 222488124 XJDYMPVMDYGLSM-XNNBJJOUSA-N 315.369 2.793 0 40 DFAB CC(=O)NC1CCC(NC[C@H](C)Oc2cccc(F)c2)CC1 133084246 KGVOHVXVGBOGRY-JQRITLKVSA-N 308.397 2.630 0 40 DFAB COc1cc(N)ccc1NC(=S)NC(=O)c1ccccc1C 226238425 MSADGHTYVASIBC-UHFFFAOYSA-N 315.398 2.713 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccccc2C(=O)O)C1 228909272 ZXLWUWFFDCSRCJ-GFCCVEGCSA-N 320.389 2.736 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1 224599338 GMZBDZQUFCWZBA-CQSZACIVSA-N 315.369 2.658 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)/C=C/c1ccncc1 96431688 MWQBGPYRPHMYQY-HSBSLETESA-N 312.369 2.687 0 40 DFAB C[C@H](NCC(=O)NCc1ccc(Cl)s1)c1ccncc1 97370669 AZJCGXCFWUMEBC-JTQLQIEISA-N 309.822 2.764 0 40 DFAB CN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 96406266 WEKPDSYCPBZLRO-INIZCTEOSA-N 302.374 2.713 0 40 DFAB CN1C[C@H](C(=O)NCc2ccccc2F)[C@H](c2ccccc2)C1 230143088 OSTXRHISGYOSDD-IRXDYDNUSA-N 312.388 2.787 0 40 DFAB CO[C@H]1CCN(CCc2ccccc2)[C@@H]2CN(CC3CC3)C[C@H]12 96205868 IOILFHJIVIUDHI-ZCNNSNEGSA-N 314.473 2.660 0 40 DFAB C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1cccs1 96440653 HCIHFPXLEDSVEN-ABAIWWIYSA-N 308.403 2.652 0 40 DFAB Cc1cnc(CNC(=O)c2cc(Br)ccc2C)o1 96449954 ZPJGQXHQOYDAAV-UHFFFAOYSA-N 309.163 2.984 0 40 DFAB C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccc(F)c(F)c1 96432596 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CCc1nc2cc(NC(=O)N3CCC[C@@H](N(C)C)C3)ccc2o1 71921176 CANYNAVXMDEPSX-CYBMUJFWSA-N 316.405 2.948 0 40 DFAB CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1 47833826 ZLXLVZRSLIYZKB-UHFFFAOYSA-N 311.101 2.869 0 40 DFAB COCCCOc1ccccc1NC(=O)NCc1cccnc1 54472256 BPINORHKLARRRB-UHFFFAOYSA-N 315.373 2.819 0 40 DFAB CC(C)COc1ncc(C(=O)Nc2cnn(C)c2)cc1Cl 97084252 QCCFNGUIEGGGDI-UHFFFAOYSA-N 308.769 2.756 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNCc1ccc(CO)o1 97145321 GNKQTQLJMJJIRZ-CQSZACIVSA-N 301.386 2.990 0 40 DFAB Cc1ccc(CNC[C@@]2(O)CCSC2)c(Br)c1 96483947 LALCHQBYJWBOIR-ZDUSSCGKSA-N 316.264 2.715 0 40 DFAB CCOP(=O)(OCC)C(N)P(=O)(OCC)OCC 19850699 ICVPXOZTKDAJJZ-UHFFFAOYSA-N 303.232 2.761 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)ccc2F)c1 5962200 JWSJLOOVURISJL-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 13668791 SBNQFGAHTGTBNE-CYBMUJFWSA-N 321.442 2.887 0 40 DFAB CC1=CC(C)(C)N2C(=O)[C@]3(OC(=O)CS3)c3cccc1c32 17030687 ZIGMNLHKKLKZFH-INIZCTEOSA-N 301.367 2.672 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 18114522 FRVFUGQVCCQLFS-UHFFFAOYSA-N 303.289 2.873 0 40 DFAB Cc1ccnc(-n2cccc2CN(CCO)Cc2cccnc2)c1 19238215 FKYGNWASPBPKAF-UHFFFAOYSA-N 322.412 2.570 0 40 DFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1 156362461 MGBPCKRDHVBDQM-CYBMUJFWSA-N 324.852 2.955 0 40 DFAB COc1ccc(CC(=O)N[C@H](C)c2ccncc2)c(OC)c1 7185039 ODFHMTXFEBNFKA-GFCCVEGCSA-N 300.358 2.519 0 40 DFAB Cc1cc(N2CC[C@H](COc3ccccn3)C2)nc(C2CC2)n1 1889099076 LLZWOWOBYOJLIJ-AWEZNQCLSA-N 310.401 2.963 0 40 DFAB c1ccc(N2CCC(c3nccnc3-c3ncc[nH]3)CC2)nc1 1848355331 LKDLVSPDAAALPB-UHFFFAOYSA-N 306.373 2.646 0 40 DFAB Cc1cccnc1C(=O)N1C[C@H]2CCN(CC(C)C)CC[C@H]2C1 2056223494 OOEBFDPEVJKLHB-CALCHBBNSA-N 315.461 2.830 0 40 DFAB CCCCC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 4143609 DMSKQGMJOZXTGQ-ZDUSSCGKSA-N 315.295 2.725 0 40 DFAB CC(C)(C)C(=O)N1CCN(c2nc3ccccc3s2)CC1 4223925 PVXHSBORLIPCQK-UHFFFAOYSA-N 303.431 2.991 0 40 DFAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)C1CC1 11695456 QXASATJMSQOETN-UHFFFAOYSA-N 314.164 2.909 0 40 DFAB CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 40461241 BAAUSHYCURVEIR-JTQLQIEISA-N 308.230 2.612 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 40475641 SXJCGCYHKSGYGF-OAHLLOKOSA-N 307.357 2.639 0 40 DFAB COc1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C)cs2)cc1 40509722 BHJIMKGNUQNJDY-NSHDSACASA-N 318.398 2.680 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2cnco2)c1 40555290 PAENEMVQGVTUKP-UHFFFAOYSA-N 319.342 2.747 0 40 DFAB Cc1ncsc1C(=O)NCCCN1CCc2ccccc21 40534088 OHDTUTPMXCWUOO-UHFFFAOYSA-N 301.415 2.634 0 40 DFAB CN(C)CCn1ccc2cc(NC(=O)c3cccnc3)ccc21 51434602 UXVISCIWELYFMM-UHFFFAOYSA-N 308.385 2.850 0 40 DFAB CSc1ncccc1C(=O)Nc1cccc(-n2cnnc2)c1 32817641 FQTBFKUNEIXANB-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB C[C@H]1[C@@H](C)SCCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 78135739 SEYGWPVQIFURQL-VHSXEESVSA-N 320.389 2.633 0 40 DFAB O=C(CNc1ccccc1Br)NCC(F)(F)F 42221718 BZWQZNROPIZOAN-UHFFFAOYSA-N 311.101 2.540 0 40 DFAB COc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1 6097962 CDTDVANTZUAPFL-UHFFFAOYSA-N 317.414 2.988 0 40 DFAB Cc1cc(CN[C@H]2CCS(=O)(=O)C2)c(C)n1C1CCCCC1 8428723 GHDZCNSHNJNDMR-INIZCTEOSA-N 324.490 2.887 0 40 DFAB O=C(NCC1CC1)Nc1ccc(I)cc1 43189613 MUASGWOAZBMLJB-UHFFFAOYSA-N 316.142 2.823 0 40 DFAB Cc1ccc(S(=O)(=O)C(=O)[C@@H]2CCOc3ccccc32)cc1 1395733 RPXZLVLKXKKFOQ-OAHLLOKOSA-N 316.378 2.862 0 40 DFAB O=C(NCCC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccsc1 25189516 TVIASZZFNPBSMU-KBPBESRZSA-N 320.458 2.907 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 107314275 AMYRQCNRNGZGLF-KCQAQPDRSA-N 322.449 2.938 0 40 DFAB Cc1ccc(NC(=O)/C=C2\CONC(c3ccccc3)=N2)cc1 104237351 ULDNEAZLCVNSAW-LFIBNONCSA-N 307.353 2.799 0 40 DFAB CN(C)[C@@H](CNC(=O)COc1ccccc1)c1ccc(F)cc1 10018646 NBZNISFKQRVAKI-KRWDZBQOSA-N 316.376 2.624 0 40 DFAB O=c1[nH]ncc(NCc2cccc(Br)c2)c1Cl 58295639 JLFZBNBURNDFJJ-UHFFFAOYSA-N 314.570 2.798 0 40 DFAB O=C(NC1=NCCS1)c1cc(Cc2ccccc2)ccc1O 58297749 PCDLBELONHNPRE-UHFFFAOYSA-N 312.394 2.816 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(O)nn1 44972324 RMUYNDPRSLOMMI-LBPRGKRZSA-N 301.346 2.527 0 40 DFAB Cc1cc(C)n(-c2ccc(N3CC[C@H](c4ccco4)C3)nn2)n1 95399229 SDYAIQOYCHNAJT-AWEZNQCLSA-N 309.373 2.866 0 40 DFAB CN(C)[C@H](CNC(=O)CCc1ccc(F)c(F)c1)c1ccco1 28839597 HXHJLLJEVLHVNZ-OAHLLOKOSA-N 322.355 2.910 0 40 DFAB CCCN(C)c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1 95456342 NNGAWAQTNODSQV-GOSISDBHSA-N 312.413 2.996 0 40 DFAB COc1cccc(/C=C/C(=O)Nc2sccc2C(N)=O)c1 2631403 RTMHHEDQTKIDJL-AATRIKPKSA-N 302.355 2.508 0 40 DFAB COCCNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12803614 OTCZTJJASVVWNS-UHFFFAOYSA-N 321.446 2.982 0 40 DFAB CS(=O)(=O)/N=C(\O)COc1ccc(Nc2ccccc2)cc1 48479179 IAUFJBDXINCXLM-UHFFFAOYSA-N 320.370 2.725 0 40 DFAB O=C(CCn1cccn1)N[C@@H]1CCSc2ccc(F)cc21 48739862 POOZNOZFPKDJTM-CYBMUJFWSA-N 305.378 2.766 0 40 DFAB Cc1ccccc1OCC(=O)N[C@H](CC(=O)O)c1ccccc1 13224197 RYMUGZPFZHWHMY-OAHLLOKOSA-N 313.353 2.706 0 40 DFAB CCCn1c(SCc2cc(OC)c(OC)cc2C)n[nH]c1=O 9634539 JVYMRUPKJOAYCH-UHFFFAOYSA-N 323.418 2.599 0 40 DFAB O=C(C[C@H]1SC(=O)NC1=O)Nc1cc(Cl)ccc1Cl 26533083 RVBLTMQGBAVDSE-MRVPVSSYSA-N 319.169 2.674 0 40 DFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-n2cncn2)nc1 65443548 UICTUCKGJFVRPM-TZMCWYRMSA-N 314.393 2.705 0 40 DFAB CC(C)n1nnnc1-c1ccccc1NC(=O)CC(F)(F)F 96010230 IZQZMXYFIQNWTP-UHFFFAOYSA-N 313.283 2.812 0 40 DFAB Cn1cc(C(=O)NCC(=O)OCc2ccccc2)c2ccccc21 14851559 ZKANJGBFGXIVFF-UHFFFAOYSA-N 322.364 2.652 0 40 DFAB CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976129 FNYNSRFYRDIIJV-HIFRSBDPSA-N 320.408 2.522 0 40 DFAB NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(F)c1 67298340 CATHUMREUGUKIK-SILNSSARSA-N 316.263 2.748 0 40 DFAB O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccco1 9332738 TXHRCMKCCUUPHC-XYOKQWHBSA-N 317.142 2.960 0 40 DFAB CCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1 16093418 UNAFXJVTBWWYSY-VIFPVBQESA-N 306.225 2.916 0 40 DFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(O)c1 8288367 SAQOKWVSLCGFCZ-MRXNPFEDSA-N 311.337 2.569 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccnc(C)n1 69453739 BHUBHMZVAOTHNV-HNNXBMFYSA-N 311.385 2.641 0 40 DFAB Cc1ccc(C(=O)NCc2cc(F)ccc2-n2ccnc2C)cn1 69779693 PZHCFZLTJGUWRT-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB COc1c(C)cnc(Cn2nc(-c3cccs3)oc2=O)c1C 69775018 ZWJSVGCZCKJYOI-UHFFFAOYSA-N 317.370 2.634 0 40 DFAB CNC(=O)[C@H]1CCCN(C(=O)c2oc3c(C)cccc3c2C)C1 69818076 LUEIGWRFRDLCGX-ZDUSSCGKSA-N 314.385 2.648 0 40 DFAB c1ccc2c(c1)OC[C@H](CNCc1ccc(-n3ccnc3)cc1)O2 8706494 YHLZUUFFANPDNE-KRWDZBQOSA-N 321.380 2.802 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2cscn2)c1 71866068 UOUTZVLHFGCXJJ-OAHLLOKOSA-N 318.446 2.662 0 40 DFAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@@H](C)CC3)c2n1 71842006 DZNCWNUBUYOBAZ-LLVKDONJSA-N 300.406 2.917 0 40 DFAB O=C([C@H]1C[C@H]1c1ccco1)N1CCCN(c2nccs2)CC1 71836544 FNUAXGBXHMZECH-OLZOCXBDSA-N 317.414 2.579 0 40 DFAB COc1ccc(C(C)(C)CNC(=O)C[C@H]2CCCO2)cc1OC 71879475 DXHUOCLCXMOQAV-CQSZACIVSA-N 321.417 2.667 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3nc(C)ccc3o2)c1 71869999 UDNCWKQBIYVJME-AWEZNQCLSA-N 324.384 2.946 0 40 DFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccsc1 24926596 KMRMGBCQKZTNMH-CYBMUJFWSA-N 322.455 2.613 0 40 DFAB C[C@H](NC(=O)COC1CCCCC1)[C@@H](O)c1ccc(F)cc1 95430013 GLKBMWAETGYMFF-YVEFUNNKSA-N 309.381 2.713 0 40 DFAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(Cl)cn1 95417747 CFJZXVYHXJYOHG-IAQYHMDHSA-N 304.777 2.977 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@H](O)c2ccccc2F)c1 97142927 LTRAQSRLFHGUBM-AWEZNQCLSA-N 303.337 2.693 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)CC(F)(F)F)C1 97104009 JLNPPPKGQZNVPU-UWVGGRQHSA-N 324.343 2.891 0 40 DFAB COC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 95970899 HOUYQZTZRVBMFS-GXSJLCMTSA-N 313.756 2.941 0 40 DFAB Cc1nc(CC(C)C)sc1C(=O)N(CC(=O)O)CC1CC1 95969884 JAHPJFQPKLEUQQ-UHFFFAOYSA-N 310.419 2.587 0 40 DFAB COCc1noc(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 95992447 DHOGVFLHKAHAPS-CQSZACIVSA-N 305.353 2.562 0 40 DFAB CCS(=O)(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 89274410 JFBJOHROQKULRF-JTQLQIEISA-N 301.383 2.615 0 40 DFAB CC[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(N)=O 75137635 VPTQJJNFNPLJRP-NSHDSACASA-N 322.302 2.779 0 40 DFAB COC(=O)[C@@]1(C)CCN(C(=O)NC[C@H](C)Cc2cccs2)C1 89904262 BBZCDSQSSXZOBY-WBMJQRKESA-N 324.446 2.521 0 40 DFAB O=C(C[C@H]1CC2(CCNCC2)Oc2ccccc21)NCC1CC1 306143774 YLUNGJOIBHJLIB-HNNXBMFYSA-N 314.429 2.591 0 40 DFAB O=C(O)c1cc(/C=C/c2cncc(Br)c2)ncn1 547346463 FDZDUFIELBWFCM-OWOJBTEDSA-N 306.119 2.503 0 40 DFAB COc1ccc(NC(=O)C2(N3CCOCC3)CCCCC2)cc1 33337445 LCCQDGFKEBGTKG-UHFFFAOYSA-N 318.417 2.669 0 40 DFAB O=C1N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1 409192826 CBCBHLHGEOBRLM-RIYZIHGNSA-N 322.320 2.508 0 40 DFAB Cc1ccsc1C(=O)N[C@H]1CCCN(c2ccccn2)C1 129998243 VZJWAPCWMOTCBS-ZDUSSCGKSA-N 301.415 2.850 0 40 DFAB CC(=O)N(C)c1cccc(NC(=O)NCCC(F)(F)F)c1 72591476 OMMRBWUSMXYZPP-UHFFFAOYSA-N 303.284 2.743 0 40 DFAB CC(C)C(C)(C)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C 188107384 ITMBCYKWMUQVSR-UHFFFAOYSA-N 305.378 2.935 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)c3cc4n(n3)CCC4)cc2)c1C 562547498 IWEDSISQNMSVTN-UHFFFAOYSA-N 321.384 2.884 0 40 DFAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)n3cccn3)co2)cc1 73301288 ARLCTOWDQBPSTB-CYBMUJFWSA-N 310.357 2.724 0 40 DFAB C[C@@H](NC(=O)N(C)c1ccc(F)cc1)[C@H](O)Cc1ccccc1 190794627 MPVLOWMODUZGCX-CXAGYDPISA-N 316.376 2.964 0 40 DFAB CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 195530585 XHCIKJMJOQMBAX-BQFCYCMXSA-N 318.461 2.923 0 40 DFAB Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NCc1ccnn1C 192451321 WZBAHJIIUIMOFX-IUODEOHRSA-N 323.404 2.575 0 40 DFAB COC[C@@H](NC(=O)NC1(COC)CC1)c1cccc(Cl)c1 578290694 DKIMRNYAQZRHID-CYBMUJFWSA-N 312.797 2.506 0 40 DFAB CC(C)(C)c1cc(C(=O)NC[C@H](O)c2c(F)cccc2F)no1 96437381 LMEKCFIDMKNOAZ-LBPRGKRZSA-N 324.327 2.714 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)ccn3)CC(=O)N2C)cc1 96181280 JMAQCFHRFJFFLA-YJBOKZPZSA-N 323.396 2.857 0 40 DFAB COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@@]1(C)CO 97379149 CWZINONUZYXNAZ-HOCLYGCPSA-N 311.809 2.558 0 40 DFAB Cc1cnc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)s1 96443643 JFPKMBMJTFUGHO-OLZOCXBDSA-N 308.451 2.931 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257205755 BALUUEFRUBUUJD-ZDUSSCGKSA-N 313.426 2.965 0 40 DFAB CCOc1ccc([C@@H](COC)NC(=O)N2CCSCC2)cc1 252490939 LFSQECYOVYGOLW-OAHLLOKOSA-N 324.446 2.531 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257223085 DVUUETCWQDWRNX-CYBMUJFWSA-N 309.373 2.533 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 257214783 CNKTYSSLVNPYGG-ZDUSSCGKSA-N 318.446 2.822 0 40 DFAB CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(O)cc1 252587375 XTBNERXPLAXLCR-MCFFVMPBSA-N 323.458 2.521 0 40 DFAB Cc1nccc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 257284338 PCGOLAQPNQCSKM-MRXNPFEDSA-N 310.401 2.519 0 40 DFAB O=C(c1ccsc1)N1CC(c2nc(-c3ccco3)no2)C1 90567431 KXTNFIAUXCBDMZ-UHFFFAOYSA-N 301.327 2.631 0 40 DFAB CC(C)CCC(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575403365 JQTZPFOPMMVCPW-AWEZNQCLSA-N 320.458 2.983 0 40 DFAB O=C(C[C@@H]1CCc2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 675946806 RVMHCSYDFSUCDN-FUHWJXTLSA-N 323.392 2.919 0 40 DFAB C[C@H]1SCCN(CCC(=O)N2CCc3sccc3C2)[C@@H]1C 71911146 DJEQFPNVPRFGBO-CHWSQXEVSA-N 324.515 2.849 0 40 DFAB COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1 57432251 NYJVLFCGOHMKNO-CYBMUJFWSA-N 312.369 2.763 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)NCc2cccn2C)cc1 76089254 FTZTVPUCBCEJCT-LBPRGKRZSA-N 304.415 2.831 0 40 DFAB Cc1nc(C)n(-c2ccc(C(=O)OC[C@@H]3CCCCO3)cc2)n1 95404943 KKWWTSDZAAKLTF-INIZCTEOSA-N 315.373 2.610 0 40 DFAB O=C1CC[C@@H](Nc2cnc3cc(Cl)c(Cl)cc3n2)CN1 97238143 AHMIRBQUNDZBPK-SSDOTTSWSA-N 311.172 2.627 0 40 DFAB Nc1nnc(CCCCCCCCc2nnc(N)s2)s1 16969538 RQHWKMPSGWWABF-UHFFFAOYSA-N 312.468 2.680 0 40 DFAB CCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358983 QMBRMHUGOVDWMZ-UHFFFAOYSA-N 322.459 2.960 0 40 DFAB CCCCC1=NN(C(=O)c2ccccn2)[C@](O)(C(F)(F)F)C1 5711593 PRQUCJABGWOIIC-CYBMUJFWSA-N 315.295 2.725 0 40 DFAB Cc1nc2c3c(C)c(C)sc3nc(NC[C@H]3CCCO3)n2n1 13655075 FMHZTTAKDJXPCY-LLVKDONJSA-N 317.418 2.855 0 40 DFAB CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 14400684 OHFFSSKXUFYZIF-UHFFFAOYSA-N 310.825 2.663 0 40 DFAB CCCCC(=O)OCc1cc(=O)n2nc(CCCC)sc2n1 15734072 UKKFZGYJGABKQN-UHFFFAOYSA-N 323.418 2.727 0 40 DFAB CC(C)NC(=S)Nc1cccc(I)c1 16238249 IDBUCKBTDXIRTB-UHFFFAOYSA-N 320.199 2.986 0 40 DFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1 19571562 YWRRHWBUYLHUFH-SMDDNHRTSA-N 306.369 2.754 0 40 DFAB O=C(/C=C/c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2522638 BVDYWVVWERVABZ-WAVCKPEOSA-N 324.336 2.586 0 40 DFAB CSc1nccc(N2CCC(N(C)c3ccccn3)CC2)n1 1889091610 ZOEIHMFHZYRUKR-UHFFFAOYSA-N 315.446 2.699 0 40 DFAB Cc1cnc(C)c(OC2CCN(c3ncnc(C)c3C)CC2)n1 2087122921 GAVNTABBYSBUAF-UHFFFAOYSA-N 313.405 2.548 0 40 DFAB CC(C)(C)c1nccc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)n1 2298176275 TVPYCDSPCDAOCP-KBPBESRZSA-N 300.450 2.695 0 40 DFAB CCOc1cc(/C=C2/C(=O)NC(=O)c3ccccc32)ccc1OC 30058184 UWXZXRJDFVJHTB-XNTDXEJSSA-N 323.348 2.905 0 40 DFAB NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 27720 PGCIGBBALXNQRT-BQYQJAHWSA-N 316.382 2.971 0 40 DFAB COc1ccc([C@H](Nc2ncnc3c2cnn3C)C2CC2)cc1 30767841 IZENCOFIPNRUHS-OAHLLOKOSA-N 309.373 2.935 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccn(C)c(=O)c1 40496723 AFEAPQMJCQGQRD-CYBMUJFWSA-N 302.399 2.596 0 40 DFAB CC[C@@H](CO)Nc1ccc(NC(=O)c2cccc(OC)c2)cn1 20382427 DDUUETHBQNNSEF-ZDUSSCGKSA-N 315.373 2.525 0 40 DFAB COc1ccc([C@@H]2SC=C3Sc4nnc(C)n4N32)cc1 20734116 YMKSZMANWCAXNT-LBPRGKRZSA-N 304.400 2.883 0 40 DFAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2[nH]1 32738294 UVNGQIKRUPGOQG-BDJLRTHQSA-N 323.352 2.580 0 40 DFAB Cc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(N)n1 52489705 XJXXUBJDDJJLMT-ZDUSSCGKSA-N 304.781 2.599 0 40 DFAB C1CC[C@H](CSc2nnc(NC[C@H]3CCCO3)s2)OC1 21737817 QOUCLPYEQPCENM-GHMZBOCLSA-N 315.464 2.790 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 43071 HXVQSHWLXZWRPX-LLVKDONJSA-N 316.307 2.956 0 40 DFAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1cccnc1 130064 BQRRAEOFJQVQEO-MRXNPFEDSA-N 302.399 2.998 0 40 DFAB O=C(NCc1ccncc1)c1nc(-c2cccc3[nH]ccc23)no1 12324937 ASXXMHZNTFRARP-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB COc1ccc(CNC(=O)N(C)CCc2cccs2)cn1 76085183 ZMAMPHCZSFDZSO-UHFFFAOYSA-N 305.403 2.536 0 40 DFAB Cc1ccoc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 78813298 KLCUOPJETGEFNN-GFCCVEGCSA-N 308.378 2.717 0 40 DFAB C/C=C/C(=O)OCC(=O)Nc1ccc(Br)cc1F 3390044 QSLHRBCRUGSHKQ-NSCUHMNNSA-N 316.126 2.646 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@@H]2O 4081391 KPTQFNUKAKVGSS-CMYNRUGDSA-N 306.446 2.643 0 40 DFAB biogenic Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)no1 4385140 AECZCWUBZAYVQX-SNVBAGLBSA-N 319.748 2.628 0 40 DFAB Cc1c(C(=O)NCCc2cccs2)[nH]c2c1C(=O)CCC2 23483764 JRZPPLLAQIXVRH-UHFFFAOYSA-N 302.399 2.876 0 40 DFAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C)cc2)Oc2ccccc21 23701353 XMXURHDJNJDMCV-KRWDZBQOSA-N 310.353 2.748 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N1CCN(c2ccncc2)CC1 23913630 LGDUBIMZQOIQIU-ZZXKWVIFSA-N 311.360 2.583 0 40 DFAB Cc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 24590911 DBNRPHCZUXOFHE-UHFFFAOYSA-N 309.413 2.784 0 40 DFAB O=C1CCCN1c1ccc(C(=O)N2CCOc3ccccc32)cc1 24586187 NSURQEHGCLJZGT-UHFFFAOYSA-N 322.364 2.853 0 40 DFAB O=C(Cc1noc([C@H]2C[C@H]3CC[C@H]2C3)n1)NC1CCCCC1 107497909 MJYVULMIUDADKF-OBJOEFQTSA-N 303.406 2.965 0 40 DFAB CCOc1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC 101439530 OAALMCBNNUZCJQ-KBPBESRZSA-N 317.385 2.769 0 40 DFAB Cc1cc(OCCN2CCC(C(N)=O)CC2)ccc1C(C)C 20940686 IZRKQSUQCZEITL-UHFFFAOYSA-N 304.434 2.695 0 40 DFAB CN(C(=O)COC(=O)c1ccc(Cl)nc1)c1ccccc1 3288975 YYCTXPHXNQIUPA-UHFFFAOYSA-N 304.733 2.555 0 40 DFAB CCOc1ccc(-c2noc(CN3C[C@H](C)O[C@@H](C)C3)n2)cc1 44871208 VWBSLFGVVAYTCO-STQMWFEESA-N 317.389 2.745 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 44869100 IOCSYGCWODHVLH-AWEZNQCLSA-N 307.365 2.560 0 40 DFAB CC(C)CS(=O)(=O)CC(=O)N[C@H](C)c1cc2ccccc2o1 44938479 OOOMAMXAINMBKZ-GFCCVEGCSA-N 323.414 2.681 0 40 DFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 58407710 ZIWUSUAHLGHDBB-XPABHHOTSA-N 302.484 2.623 0 40 DFAB COc1c(CNCCc2c[nH]c3cc(C)ccc23)c(C)nn1C 58430174 TUXAARLZLSOGTQ-UHFFFAOYSA-N 312.417 2.859 0 40 DFAB CCN(C(=O)c1ccc(NC2CC2)nc1)c1ccc(OC)nc1 58851477 UODISCMUDWKRHU-UHFFFAOYSA-N 312.373 2.726 0 40 DFAB CCC[C@@H]1CN(C(=O)N[C@H](c2ccccn2)C(C)C)CCO1 95442726 AURSETZQUKMUMV-ZBFHGGJFSA-N 305.422 2.989 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1ccccc1 3452705 FQBPVPDVQDBRCO-CYBMUJFWSA-N 312.369 2.901 0 40 DFAB CCCCNC(=O)N[C@H](c1cccc(OC)c1)c1nccn1C 29723272 ZJOSKDYNKXFFLE-OAHLLOKOSA-N 316.405 2.617 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccccc1F 3435365 DGARFZHWZNLAQJ-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB COc1ccc(Cl)cc1NC(=S)NCCc1cnc[nH]1 13237785 GKQORAGEWNYYBX-UHFFFAOYSA-N 310.810 2.601 0 40 DFAB CCc1noc(C)c1NC(=O)Nc1cnc2c(c1)c(C)nn2C 97377721 ARVXYNFLFNYWEA-UHFFFAOYSA-N 314.349 2.780 0 40 DFAB CN1CCc2ncnc(N3CCC[C@@H]3c3cccc(F)c3)c2C1 65474778 YYDYXTOSFXPDGH-QGZVFWFLSA-N 312.392 2.945 0 40 DFAB CS(=O)(=O)c1ccccc1NC(=O)NC[C@@H]1CC=CCC1 65575649 PJHJXEGALXPQDB-GFCCVEGCSA-N 308.403 2.568 0 40 DFAB CCCN1CCC(CNC(=O)Nc2cccc(OC)c2)CC1 65538071 QDDRJTHYPOJEDI-UHFFFAOYSA-N 305.422 2.939 0 40 DFAB CC(C)n1cnc2ccc(NC(=O)c3cccnc3)cc2c1=O 96116312 VEWAHNJDSLSYRD-UHFFFAOYSA-N 308.341 2.625 0 40 DFAB biogenic CSc1ccccc1C[C@H](C)NC[C@@H]1CCCS1(=O)=O 97084634 WHXHKPAJZCLSNG-JSGCOSHPSA-N 313.488 2.506 0 40 DFAB CCCn1c(SCCOc2ccc(OCC)cc2)n[nH]c1=O 9377644 GZOXWAZCXGDHDK-UHFFFAOYSA-N 323.418 2.551 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)OCCO2 5622357 MCLFGEHXMKWTDM-NSHDSACASA-N 316.382 2.972 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2C)c(=O)[nH]1 9314223 DTNRBEZZMGYUTC-UHFFFAOYSA-N 319.792 2.920 0 40 DFAB O=C(/C=C/c1cccc(F)c1)N[C@@H](Cc1ccccc1)C(=O)O 62715375 VFVFPEDHIMZYBM-SCOAYWHSSA-N 313.328 2.651 0 40 DFAB COc1cc(N[C@@H]2CC[C@H](C)C2)ccc1S(=O)(=O)N(C)C 97057740 NHNNSGDOXGONBT-NWDGAFQWSA-N 312.435 2.546 0 40 DFAB CC(=O)c1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1 15201273 HLVCMPWCOSMBHM-NSHDSACASA-N 302.355 2.536 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2csc3c2CCCC3)no1 5935601 DSYOLMHAKTWCIC-UHFFFAOYSA-N 320.370 2.719 0 40 DFAB Cc1ccccc1-n1c(=O)c2c(c3c(N)ncnc31)CCCC2 9422352 KEJGYBQASDRXSD-UHFFFAOYSA-N 306.369 2.550 0 40 DFAB COc1cc(-c2ccccc2)ccc1CN1CC[C@H](C(N)=O)C1 97080829 MTERQPSTAZUOPY-KRWDZBQOSA-N 310.397 2.669 0 40 DFAB CCC[C@](C)(CO)NC(=O)Nc1nc(-c2cccnc2)cs1 80766638 CRXBBRCVOCJLNV-OAHLLOKOSA-N 320.418 2.878 0 40 DFAB Cc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1C 7814796 FGQIXFSNKCBXPK-UHFFFAOYSA-N 323.348 2.643 0 40 DFAB CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2COCCO2)cc1 71799896 HCLYPVPGMLOIGP-SWLSCSKDSA-N 309.431 2.780 0 40 DFAB C[n+]1c2n(c(=O)c3c4c(sc31)C[C@@H](C(C)(C)C)CC4)CCC2 7996796 USXXTNAQDFPESL-NSHDSACASA-N 317.478 2.985 0 40 DFAB CC[C@@H](SC(=S)N1CCCC1)C(=O)Nc1cc(C)on1 16807724 RYHDGQSDUSVWIP-SNVBAGLBSA-N 313.448 2.814 0 40 DFAB Cc1nn(C)c(Cl)c1Cn1cc(C(F)(F)F)ccc1=O 70141321 VSXFEYKGXDGWSF-UHFFFAOYSA-N 305.687 2.611 0 40 DFAB Cc1nc2cc(C(=O)Nc3ccc(N(C)C)cn3)ccc2n1C 69571615 JTGXMMCJIZLARI-UHFFFAOYSA-N 309.373 2.595 0 40 DFAB O=C(CCNC(=O)N1Cc2ccccc2C1)N1CCCCCC1 71879840 OPQPAZLSTKAVKV-UHFFFAOYSA-N 315.417 2.505 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c2n[nH]cc2c1 69843616 ZGJLBFXDYWMBPY-CVEARBPZSA-N 312.417 2.570 0 40 DFAB O=C(/C=C/c1ccncc1)N1CCC(Nc2cccnc2)CC1 69895283 BZNQFCUZLKPYRF-ONEGZZNKSA-N 308.385 2.593 0 40 DFAB CCO[C@@H]1CCCN(c2nc(Cc3ccc(F)cc3)no2)C1 69811756 KZLDNKVBZOBLOO-CQSZACIVSA-N 305.353 2.805 0 40 DFAB CNC(=O)c1c(Cl)nc(Cl)n1-c1ccc(OC)cc1 69949642 UJYLYTJKRYBLLX-UHFFFAOYSA-N 300.145 2.547 0 40 DFAB COC(=O)N(C)CCCC(=O)Oc1ccc2ccncc2c1 71857387 PWRBPZNBPSWDKU-UHFFFAOYSA-N 302.330 2.619 0 40 DFAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 18210485 UVBYRSKJMSBTPH-NEPJUHHUSA-N 324.306 2.951 0 40 DFAB Cc1cc(C)c(C(=O)NCC(C)(C)c2cccs2)c(=O)[nH]1 72284713 CDEVRTLOFXVYQJ-UHFFFAOYSA-N 304.415 2.761 0 40 DFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(F)cc1 9725012 OUTAYCKXQAQOLU-SFHVURJKSA-N 310.328 2.719 0 40 DFAB COCc1cc(C(=O)Nc2cc(-c3sccc3C)n[nH]2)no1 95404183 FVVBIZWOIOFUOZ-UHFFFAOYSA-N 318.358 2.833 0 40 DFAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC1CCSCC1 95968483 ATPBKHQWPGPPRZ-INIZCTEOSA-N 319.518 2.682 0 40 DFAB CSc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C)on2)cc1 95989635 WEFBUKLZARCXCT-GFCCVEGCSA-N 320.370 2.651 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)NCCc1csc2ccccc12 89340049 DGJDZHXCSIXHRQ-HNNXBMFYSA-N 318.442 2.856 0 40 DFAB CCCNC(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 75105977 CNQJZYYIRXLFFD-GJZGRUSLSA-N 324.490 2.942 0 40 DFAB Cc1ccccc1[C@H](NC(=O)N1CCNC(=O)CC1)C(C)(C)C 89689132 DECKXVUQADYGFS-INIZCTEOSA-N 317.433 2.614 0 40 DFAB CC(C)(CCC(=O)O)NC(=O)CCC(=O)c1ccc(F)cc1 89761658 OUTCCFJHOICYSH-UHFFFAOYSA-N 309.337 2.548 0 40 DFAB CN(C)c1ccnc(CNC(=O)N[C@H]2CC23CCCCC3)c1 1548453994 TXESVPVYPNMRRA-HNNXBMFYSA-N 302.422 2.670 0 40 DFAB O=S(=O)(Cc1ccccc1)Nc1ccc(-n2cccn2)cc1 27917836 GEMARUVSUFTKFY-UHFFFAOYSA-N 313.382 2.814 0 40 DFAB CCONC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC 22874658 DUANUIWDGBOHNK-GWCFXTLKSA-N 312.797 2.552 0 40 DFAB CCN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cccnc1 68303665 VQWQYQAMDACAJW-MRXNPFEDSA-N 313.332 2.767 0 40 DFAB Cc1ncsc1COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 78984933 KNRLWZRTYSICDF-GFCCVEGCSA-N 316.382 2.548 0 40 DFAB Cc1nnsc1C(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 71195884 AHQMKRWFSUASGD-NSHDSACASA-N 319.434 2.605 0 40 DFAB C[C@@H](CNc1ccnc2c(F)ccc(F)c12)N1CCN(C)CC1 78988177 AKKBQRZAWIEPHW-LBPRGKRZSA-N 320.387 2.561 0 40 DFAB CN(CC(=O)NCc1cccs1)Cc1ccc(Cl)nc1 79035193 KWFXUXMDWZIQTG-UHFFFAOYSA-N 309.822 2.545 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1 77733008 WAGCCXMXJFXRBK-AWEZNQCLSA-N 304.390 2.560 0 40 DFAB CCC(=O)C1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 563779777 OMHMTJKRMITBKF-UHFFFAOYSA-N 313.397 2.867 0 40 DFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)Cc3ccccc3)c2)n1 226097224 UWANTHHTVCXFKG-UHFFFAOYSA-N 319.364 2.927 0 40 DFAB CN(C)c1nccc(CNC(=O)Nc2ccc(Cl)cc2)n1 224237075 LCQGXGMNOQOCQT-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB CCc1ccccc1CNC(=O)N1CC[C@@H](C(=O)OC)[C@H](C)C1 190823060 JQSSYUDNNSFVGR-CZUORRHYSA-N 318.417 2.590 0 40 DFAB CCCn1nc(-c2cccc(OC)c2)cc(C(=O)OCC)c1=O 225964876 MOQKRMWGASNZAB-UHFFFAOYSA-N 316.357 2.506 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910306 JLHDJDDUXVPTPT-CYBMUJFWSA-N 308.397 2.725 0 40 DFAB C[C@@H](CN1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1 195573011 AWCBWNKABFQCRC-SUMWQHHRSA-N 303.381 2.736 0 40 DFAB CS(=O)(=O)N(CCNc1ccccc1)Cc1ccccc1 190330168 BVMIQXRUGVDSEY-UHFFFAOYSA-N 304.415 2.560 0 40 DFAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccccc1 195538373 WZGLQQBDICZPMA-ZFVVBOAOSA-N 302.418 2.796 0 40 DFAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 195539678 QFJQJVXSRGMPRI-IHRRRGAJSA-N 311.451 2.807 0 40 DFAB c1coc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 96189083 JFOJAQMPRRSYKK-HNNXBMFYSA-N 301.390 2.535 0 40 DFAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CO)c(F)c1 96434368 RVZLXMLLHUUHHN-SMDDNHRTSA-N 310.369 2.895 0 40 DFAB CCN1CCC2(CCC(=O)N2Cc2ccc(OC)cc2)CC1 96228280 KNUJIKBIDBQVBI-UHFFFAOYSA-N 302.418 2.672 0 40 DFAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 519772781 LSWUCAIMDHMJFO-SWLSCSKDSA-N 307.365 2.860 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(-c3cnco3)cc1)C2 97198057 PPGNSVQALJOTBD-HNNXBMFYSA-N 322.368 2.591 0 40 DFAB Cc1cc(NC(=O)CN2CCC(=Cc3ccccc3)CC2)n(C)n1 96455397 XNPVUAWQNKXUAH-UHFFFAOYSA-N 324.428 2.846 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)c2cc(C3CC3)on2)cs1 96217857 ZFNANCUXTQZNFC-ZDUSSCGKSA-N 319.386 2.531 0 40 DFAB CC[C@@H]1CCCN(C(=O)NCc2nnc3n2CCCCC3)CC1 95398204 JHOWIDBPACNOHH-CQSZACIVSA-N 319.453 2.726 0 40 DFAB CC(C)(CCS(C)(=O)=O)NC(=O)Nc1ccc2c(c1)CCC2 96475996 JDNGBYXWNVWELM-UHFFFAOYSA-N 324.446 2.510 0 40 DFAB O=C1NCCN(Cc2ccc3ccccc3n2)[C@H]1c1cccs1 96443546 LETLVJNBTDKMAL-KRWDZBQOSA-N 323.421 2.969 0 40 DFAB COc1cccc(CCCSc2nnc(N)n2C2CC2)c1 96422213 HEGISKAFPYUYNV-UHFFFAOYSA-N 304.419 2.929 0 40 DFAB CC(C)[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1ccncc1 245339264 RODZGOAFPWHLSI-XHSDSOJGSA-N 305.422 2.581 0 40 DFAB C[C@]12CCCN[C@@H]1CCCN2C(=O)c1nccc2ccccc12 257215578 CQSNLIKGTDETQY-APWZRJJASA-N 309.413 2.982 0 40 DFAB Cc1cc(O)nc([C@]2(C)CCCN2C(=O)C2CCCCC2)n1 257263221 LOXXSPQKVOGANT-KRWDZBQOSA-N 303.406 2.909 0 40 DFAB O=C(c1cccnc1)N1CCCN(c2ccc(F)c(F)c2)CC1 252498704 RIXPEPMYUQPXLR-UHFFFAOYSA-N 317.339 2.712 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)CC1 263535900 OOAZIOYUGVHBBN-TZMCWYRMSA-N 305.374 2.849 0 40 DFAB Cc1ncn(-c2ccc(NC(=O)CCc3ccn(C)n3)cc2)c1C 560899290 BBFVJJRLFCQNKZ-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB Cc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)[nH]n2)s1 65501761 VCKRIOOCMULUOI-UHFFFAOYSA-N 324.369 2.742 0 40 DFAB COc1ncccc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 46468136 IKPNWDVANSZMNR-CYBMUJFWSA-N 317.393 2.523 0 40 DFAB CCONC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 47572445 LUOBPKUYWNYCKU-UHFFFAOYSA-N 307.781 2.753 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2cnn(C)c2)C1 74474946 CXRIBJJGNDIJFJ-TZMCWYRMSA-N 310.467 2.798 0 40 DFAB CC(=O)NC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 92669561 NHHAMEJDODFDEW-UHFFFAOYSA-N 302.418 2.501 0 40 DFAB Cc1ccc(C(=O)Oc2ccc(O[C@@H](C)C(N)=O)cc2)s1 76022291 XLFYGMNJOBPCOV-JTQLQIEISA-N 305.355 2.528 0 40 DFAB CCc1cccc(CC)c1NC(=O)NCCn1cnnc1CC 76068743 YWFGUQNAUVMXRD-UHFFFAOYSA-N 315.421 2.787 0 40 DFAB COCCCCNC(=O)c1cc(Br)ccc1C 87745322 WNTNVSDBRCVJOC-UHFFFAOYSA-N 300.196 2.914 0 40 DFAB O=C(O[C@H]1C(=O)Nc2cc(Br)ccc21)c1ccco1 80295159 ZZOJIEUQDYXDEU-LLVKDONJSA-N 322.114 2.892 0 40 DFAB COc1ccc(COC(=O)c2ccc(C(F)(F)F)nc2)cn1 83962630 WOUPZRODWNOJJX-UHFFFAOYSA-N 312.247 2.861 0 40 DFAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccccc1F 5899462 WHVUPXITAXPWRZ-UHFFFAOYSA-N 318.329 2.651 0 40 DFAB CCn1cc(CCC(=O)N[C@@H]2CCCOC2)c2ccccc21 12148326 XWJBNCNSTWBSJE-OAHLLOKOSA-N 300.402 2.889 0 40 DFAB C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)on2)C1 19496548 YRYMEQSGQXKLNJ-GFCCVEGCSA-N 305.422 2.792 0 40 DFAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2C[C@H]1CS2 575605405 FJBPIMAUDLENCM-CMPLNLGQSA-N 317.332 2.844 0 40 DFAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(Cl)cn1 3413212 IYAWHQKBJHJKSP-LURJTMIESA-N 300.796 2.706 0 40 DFAB CC(C)OCCCNC[C@@H](O)COCc1ccccc1Cl 6939341 KBIAMUKBWRYMIO-OAHLLOKOSA-N 315.841 2.622 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCCc2ccccc21 23693607 GKOALZZWXWTCMJ-AWEZNQCLSA-N 312.417 2.817 0 40 DFAB O=C(Nc1cccs1)N[C@@H](Cn1nccn1)c1ccccc1 238874395 NRIYHFOUNLDLHO-ZDUSSCGKSA-N 313.386 2.903 0 40 DFAB Clc1cnc(NC[C@@H](c2cccs2)N2CCOCC2)nc1 267108233 QMWUKJWIQDZQDE-LBPRGKRZSA-N 324.837 2.677 0 40 DFAB Cc1ccc(Cn2ccn(Cc3ccccc3C)c(=O)c2=O)cc1 8588372 BCORPMZQKWZOSY-UHFFFAOYSA-N 320.392 2.723 0 40 DFAB c1nc(NC2CCCCC2)c2ncn(C[C@H]3CCCO3)c2n1 2298048300 PKGXRNPIRDUUAN-CYBMUJFWSA-N 301.394 2.750 0 40 DFAB Brc1cnc(N2CC[C@H](c3ccccn3)C2)nc1 798415341 YJHVDIJNHQTMDJ-JTQLQIEISA-N 305.179 2.628 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cccs1)N2 30540275 KVUNPGMWCBRKRA-AWEZNQCLSA-N 304.371 2.962 0 40 DFAB CC(C)COCCCNC(=O)c1ccc(N2CCCC2=O)cc1 40464896 ZMCMULCIEGXPFT-UHFFFAOYSA-N 318.417 2.606 0 40 DFAB COc1ncccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 40541627 WHOBHVPTVIPOJV-CYBMUJFWSA-N 304.733 2.686 0 40 DFAB Cc1cc(C)[n+]2cc(Br)cc(Br)c2n1 495130 FUSNVRQUCGXJLB-UHFFFAOYSA-N 317.004 2.962 0 40 DFAB CCCc1nc(C)c(C(=O)NC[C@H]2CCN(C3CC3)C2)s1 69979105 AWOWOHZOOUJUST-GFCCVEGCSA-N 307.463 2.618 0 40 DFAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1 583011 NLOZJYKTQKQDPZ-UHFFFAOYSA-N 316.744 2.704 0 40 DFAB C[C@](O)(CNC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccco1 78941460 FFQHJGIABYSVOX-PBHICJAKSA-N 318.348 2.613 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)O 2152630 LLAGBWVHCRZXMQ-IPYPFGDCSA-N 306.406 2.806 0 40 DFAB biogenic COc1ccc(NC(=O)COC(=O)c2ccco2)cc1Cl 3619950 CWSTVDZVBNRRHW-UHFFFAOYSA-N 309.705 2.737 0 40 DFAB Cc1cccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 7780336 ZZBJVBPCOFGLNL-UHFFFAOYSA-N 303.383 2.792 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100539679 BHUWYHGAMQJNGC-NEMWNAMBSA-N 309.365 2.643 0 40 DFAB O[C@H](CN1CC[C@H](Oc2ccncc2)C1)c1cccc(Cl)c1 95428229 MXZCPZKKZPMWIU-DLBZAZTESA-N 318.804 2.922 0 40 DFAB Cc1ccc(S[C@H](C)[C@](O)(C(N)=O)c2ccccc2)cc1 8665434 QQDHDKCUVFNAQU-CXAGYDPISA-N 301.411 2.849 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 1298751 CMBLACABHYQMGR-ZDUSSCGKSA-N 300.387 2.560 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(C)cn3)CC2=O)cc1 24746083 DTTXUJUZWGLHRC-MRXNPFEDSA-N 323.396 2.686 0 40 DFAB COc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1 12543519 IASMBZCTEXIRJT-CYBMUJFWSA-N 304.733 2.686 0 40 DFAB O=c1c2ccccc2[nH]c(=S)n1CCCOC[C@H]1CCCO1 12557367 BGDMWKFMSUKUEU-GFCCVEGCSA-N 320.414 2.645 0 40 DFAB CCOC(=O)c1ccc(-c2cc3ccc(O)cc3oc2=O)o1 34894410 CNVUNYFBYNQSAN-UHFFFAOYSA-N 300.266 2.935 0 40 DFAB S=C(NCc1ccccc1)NCc1ccc2c(c1)OCO2 3274868 QQFJQGBUOPZIEB-UHFFFAOYSA-N 300.383 2.580 0 40 DFAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1nc2cc(Cl)ccc2[nH]1 108080304 RJMZFXGVCZJGHC-IDTAVKCVSA-N 319.792 2.961 0 40 DFAB Cc1cccc(OCCCCC(=O)NC2CCC(O)CC2)c1 57381542 DJSBWZJBIWBBOX-UHFFFAOYSA-N 305.418 2.964 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 26981758 VRLQJLOCQQOSSD-IJEWVQPXSA-N 318.417 2.996 0 40 DFAB CCOc1ccccc1C(=O)Nc1cccc(-c2nnnn2C)c1 12775387 VVQFNODGOTUVKI-UHFFFAOYSA-N 323.356 2.528 0 40 DFAB CSc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 12767384 LVEDMZKQDLQIKD-UHFFFAOYSA-N 314.366 2.992 0 40 DFAB C[C@](CO)(NC(=O)Nc1ccc(F)cc1OC(F)F)C1CC1 84640196 WIGLFOGVTAPRFT-CQSZACIVSA-N 318.295 2.710 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 84697613 CSDCIZVAPJPMLB-SJLPKXTDSA-N 316.445 2.536 0 40 DFAB CC(C)N(C)CC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 110603415 JJPBNVWYZWEOGU-SJORKVTESA-N 320.433 2.648 0 40 DFAB Cc1c(Cl)cccc1NC(=O)CNc1ccccc1C(N)=O 22089838 RHVOKGWEXGJVTC-UHFFFAOYSA-N 317.776 2.798 0 40 DFAB CC(C)CN(CC(N)=O)Cc1csc(Cc2ccccc2)n1 46061161 URTTVKJIRKGFRQ-UHFFFAOYSA-N 317.458 2.677 0 40 DFAB CCn1ccnc1SCCCn1c(=O)[nH]c2ccccc21 11890325 XMTOMRILCZGHCT-UHFFFAOYSA-N 302.403 2.728 0 40 DFAB CCOc1cccc([C@@H]2NC(=O)c3ccccc3N2C)c1OC 8747340 PFFQWIQAOJTBRQ-QGZVFWFLSA-N 312.369 2.972 0 40 DFAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 14018791 RMVVNQNDKIOMDD-UHFFFAOYSA-N 321.336 2.954 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nccn2C)c1 5358411 AYYGVHDDKZPKEC-LLVKDONJSA-N 303.387 2.742 0 40 DFAB COc1cc([C@@H](C)O)ccc1COc1ccc(CO)cc1OC 14166196 NJVAWRAXBPLFSZ-GFCCVEGCSA-N 318.369 2.828 0 40 DFAB Cc1ccc(C)c(C[S@](=O)CC(=O)NCc2cccs2)c1 66293502 GEPZFZVLWWEYJJ-OAQYLSRUSA-N 321.467 2.930 0 40 DFAB COc1ccc(C(=O)COC(=O)c2cccs2)cc1OC 5636006 GDCPPENJFMWFRK-UHFFFAOYSA-N 306.339 2.805 0 40 DFAB Cc1ccc(NC(=O)Cn2cnc(-c3noc(C4CC4)n3)c2)cc1 67246281 ZKHRXZIYPFLBPR-UHFFFAOYSA-N 323.356 2.758 0 40 DFAB COc1ccc(Nc2ccccc2C(=O)N2CC(CO)C2)cc1 96012160 PGLULTSMCIOILB-UHFFFAOYSA-N 312.369 2.503 0 40 DFAB O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccoc1 68362125 WFMCQXZKPUOVHV-ZDUSSCGKSA-N 320.345 2.573 0 40 DFAB Cc1nc(-c2ccccc2)sc1CN1CCCS1(=O)=O 96402766 PRXHBLCDHWBHRH-UHFFFAOYSA-N 308.428 2.654 0 40 DFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccco2)CC1 7910717 PGILCYMQWKYEBM-UHFFFAOYSA-N 308.378 2.543 0 40 DFAB Cc1noc([C@@H](C)N2CCN([C@@H](C)c3ccccc3F)CC2)n1 69348160 IUZUNSXDKHYOQG-QWHCGFSZSA-N 318.396 2.957 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)[C@@H]1c1cccc(F)c1 96445559 KTGKBNROHXPIKK-PXAZEXFGSA-N 314.360 2.748 0 40 DFAB CCOc1ccc2c(c1)C(=O)N[C@H](c1cnc(CC)s1)N2 96429908 DXTVSZJWBUYKHL-CQSZACIVSA-N 303.387 2.958 0 40 DFAB CSc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 69554627 AWVFPUGBDSKYFA-LBPRGKRZSA-N 311.403 2.929 0 40 DFAB O=C1CC[C@@H](C(=O)N2CCC(c3cccc4ccccc34)CC2)N1 69737127 ZSZUDELQCAJYPR-SFHVURJKSA-N 322.408 2.824 0 40 DFAB C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2)CC(C)(C)O1 70450098 BNOXHXLVNUSHOV-GFCCVEGCSA-N 317.364 2.651 0 40 DFAB CCc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 83823673 RRKPXFWNWKGPHS-KSSFIOAISA-N 300.446 2.986 0 40 DFAB COc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2OC)c(O)c1 83927856 OXRPEEYMCATCMR-GJZGRUSLSA-N 313.353 2.695 0 40 DFAB CCO[C@H]1C[C@@H](NCC(=O)NCc2ccccc2)C1(CC)CC 97034459 UWXKODBGGQHZJE-SJORKVTESA-N 318.461 2.876 0 40 DFAB C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)c1cccs1 97017911 JHEIDPNAGHPDMK-BXUZGUMPSA-N 315.394 2.890 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 97086346 QDAIWEIMPRTYFG-FZMZJTMJSA-N 308.809 2.767 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)c3cccs3)C2)no1 72291361 SOKFLTBYDBIYRD-ZYHUDNBSSA-N 305.403 2.949 0 40 DFAB Cn1cc(CCC(=O)N2CCCC[C@H]2c2nccs2)cn1 72272050 UFJUSLZTDWKIMN-ZDUSSCGKSA-N 304.419 2.563 0 40 DFAB CCOc1ccc(C(=O)NC[C@H](O)CC(C)(C)C)cc1OC 72287195 SNOXHXMSIWCYMO-CYBMUJFWSA-N 309.406 2.621 0 40 DFAB c1ccc(Cn2cc(CNc3ccc4nccnc4n3)cn2)cc1 97197311 MDZONENAHWDZGM-UHFFFAOYSA-N 316.368 2.882 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccnc(O[C@H]2CCOC2)c1 97109362 XJKMFTCMGVLPDO-AWEZNQCLSA-N 318.398 2.583 0 40 DFAB O=C(CN1CCCC2(CCCCCC2)C1)NC1CCOCC1 98015866 QIWBNWPGWCBEBN-UHFFFAOYSA-N 308.466 2.718 0 40 DFAB COc1ccc2c(c1)C[C@H](NCCSCC(C)(C)O)CC2 95973579 UZNDYJZRNCOIOG-OAHLLOKOSA-N 309.475 2.646 0 40 DFAB CCc1nn(C)c(CC)c1CNc1cccc(C(=O)N(C)C)c1 95975177 WIYPTPSFISNQOZ-UHFFFAOYSA-N 314.433 2.859 0 40 DFAB CN(C)c1ccc(C(=O)NCc2cc(Cl)ccn2)c(F)c1 95988428 YOTVWORRQCUAAQ-UHFFFAOYSA-N 307.756 2.870 0 40 DFAB CCC[C@](C)(CO)NC(=O)Nc1cc(F)ccc1-n1cccn1 75094222 OSHDBKUOOCCPKL-MRXNPFEDSA-N 320.368 2.684 0 40 DFAB C[C@@H](CNC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1(C)OCCO1 89895154 SEHSTROEKNKJSJ-KFWWJZLASA-N 310.438 2.607 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 113948255 SSMYAGFEKNDCON-KFWWJZLASA-N 303.402 2.941 0 40 DFAB COc1cccc(CN[C@H](C)c2c(C)nn(C)c2C)c1OC 78553244 BMRBELHTIAKDSB-LLVKDONJSA-N 303.406 2.905 0 40 DFAB CCOC(=O)CN(C)c1nc(C(F)(F)F)nc2ccccc12 66323364 IEVIMBPMVFZFRB-UHFFFAOYSA-N 313.279 2.648 0 40 DFAB COc1ccccc1[C@@H]1CC[C@H](C)CN1c1nccn2nnnc12 521394187 PUTWOEDFPMOLPP-JSGCOSHPSA-N 324.388 2.506 0 40 DFAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccccc1)CC(O)=N2 31819247 ZTDTVRVTWSZKGG-GFCCVEGCSA-N 321.340 2.800 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1F 32586082 OWJMQMUCFTUOES-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCN1 75609018 VZJAERWGPLJYQI-SNVBAGLBSA-N 309.341 2.779 0 40 DFAB CN(C(=O)c1ccc(CN2CCOCC2)cc1)C1CCCCC1 30752116 YEAFGCLCQLQVLA-UHFFFAOYSA-N 316.445 2.924 0 40 DFAB Cc1nnc2sc(-c3ccc(N)cc3Br)nn12 73638660 XVGICAPRPPFFPA-UHFFFAOYSA-N 310.180 2.506 0 40 DFAB CC(C)N1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216602 VGBDJSYSOXRUHZ-QGZVFWFLSA-N 302.466 2.769 0 40 DFAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 72228233 MVHMVQCVLYJDBR-CABCVRRESA-N 304.752 2.890 0 40 DFAB COc1ccc(N2CC(O)=C(c3nc4ccccc4[nH]3)C2=O)cc1 217426669 LVWCXIWSTHWUTN-UHFFFAOYSA-N 321.336 2.887 0 40 DFAB Cc1cccc(C[C@@H]2COCCN(Cc3ccc(O)cc3)C2)n1 72388176 WKJWMQUILQZEGE-KRWDZBQOSA-N 312.413 2.787 0 40 DFAB Cc1nc(C(=O)N2CCc3[nH]nc(Nc4ccccc4)c3C2)co1 72368599 HQWURGFSXCGPJV-UHFFFAOYSA-N 323.356 2.648 0 40 DFAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(C(F)F)c1)C2 566689840 UFZDXCLTRIBYEH-OASPWFOLSA-N 309.312 2.950 0 40 DFAB CCOC(=O)Cc1nc(COc2ccc3ccccc3c2)n[nH]1 40175858 DSMUBUUHRLATBT-UHFFFAOYSA-N 311.341 2.643 0 40 DFAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccccc3F)cc2C1 49551519 QIPDXBKPFFNGTM-SNVBAGLBSA-N 300.333 2.891 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@H]2CN3CCC[C@@H]3CO2)n1 225570465 SESABZQAOJDMBI-VXGBXAGGSA-N 324.446 2.520 0 40 DFAB O=C(NC[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 195530213 UQJBNSIQMMACLL-HFBAOOFYSA-N 320.383 2.669 0 40 DFAB CSc1nnc(CNc2ccccc2C(=O)NC2CC2)s1 96427389 ZVIHHJNPRCUTNB-UHFFFAOYSA-N 320.443 2.764 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)NC[C@@H]3CCC[C@H]3O)c2)o1 96434787 BZPQKKYUUQZMLR-DZGCQCFKSA-N 315.373 2.933 0 40 DFAB Cc1cccc(I)c1C(=O)N[C@H]1C[C@H]1C 96475992 AMLJFKMKSGNOEA-SCZZXKLOSA-N 315.154 2.738 0 40 DFAB O=S(=O)(Nc1ccc2ncccc2c1)c1cncc(F)c1 95447440 WMLGZKWHYQUTHW-UHFFFAOYSA-N 303.318 2.570 0 40 DFAB CC[C@]1(C)Oc2ccc(NC(=O)CCn3cccn3)cc2O1 97104330 PUXSGOTZOQGWEH-MRXNPFEDSA-N 301.346 2.809 0 40 DFAB Cc1nc(CN2CCc3onc(Cn4cccc4)c3C2)cs1 96084845 VWQBPJIAJCOEHF-UHFFFAOYSA-N 314.414 2.848 0 40 DFAB CCC(=O)N1CCC(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 95448587 PPVDBLYFRJSEKL-CXAGYDPISA-N 322.424 2.628 0 40 DFAB O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)[C@H](O)c1ccccc1 95450357 SWNQGRVWPKHZRF-RCCFBDPRSA-N 311.381 2.757 0 40 DFAB C[C@H](O)CN(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 96421166 WIHJLQUFZSZXSV-HNNXBMFYSA-N 322.408 2.911 0 40 DFAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccnc(OCC(F)F)c1 95442815 ISGZDSVOYIHKTF-UHFFFAOYSA-N 322.315 2.887 0 40 DFAB CN(C)c1ncccc1NS(=O)(=O)c1ccc(Cl)s1 97101385 FQLKXUSEKBGDEG-UHFFFAOYSA-N 317.823 2.663 0 40 DFAB O=C(NCc1ccncc1)c1ccc(Nc2ncccn2)cc1 95473339 JARNVOXVEYITQW-UHFFFAOYSA-N 305.341 2.545 0 40 DFAB NC1(c2noc(Cc3ccn(-c4ccccc4)n3)n2)CCCC1 581607254 QEHIDBLHYZABOK-UHFFFAOYSA-N 309.373 2.574 0 40 DFAB Cc1n[nH]cc1CN1CCCC[C@H]1c1cc(C)n2ccnc2n1 257202993 AOEMYCZFSDXQNN-INIZCTEOSA-N 310.405 2.796 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2nccn2C(C)C)nc(C)n1 257213798 CJCKYNUISFMCMA-OAHLLOKOSA-N 314.437 2.941 0 40 DFAB CCn1cc(CN2CC[C@@H](c3cc(NC)cc(C)n3)C2)c(C)n1 257336651 YPJPCZIKSDEOJZ-OAHLLOKOSA-N 313.449 2.946 0 40 DFAB Cc1cccc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)n1 257270296 MTPPVDJNTHXPBK-HNNXBMFYSA-N 310.401 2.526 0 40 DFAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 257316475 VFTUAQFKYAPTTO-IIDMSEBBSA-N 324.428 2.713 0 40 DFAB CC(C)(C)c1cc(C(=O)N2CCC(c3cnccn3)CC2)[nH]n1 257319319 VRVXEKLKHFUHJB-UHFFFAOYSA-N 313.405 2.517 0 40 DFAB CN(C)C(=O)C[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1 585099094 LJNJDSUHCXBNAB-OAHLLOKOSA-N 317.458 2.660 0 40 DFAB COc1cccc(N2CCN(c3nc4ccccc4n3C)CC2)c1 33706390 NLOUVKHNHOMIBB-UHFFFAOYSA-N 322.412 2.909 0 40 DFAB Cn1cc([C@H]2CCCCN2c2cc(C(F)(F)F)ncn2)cn1 1776008952 DAFKTVGHGBLHFF-LLVKDONJSA-N 311.311 2.961 0 40 DFAB COc1cccc(Cl)c1C(=O)NC[C@@H](O)Cc1ccccc1 89471420 AVVKMIUBBGPVAC-ZDUSSCGKSA-N 319.788 2.682 0 40 DFAB CCOC[C@@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 106853301 DAOSKGOFMABGLY-HUUCEWRRSA-N 324.490 2.544 0 40 DFAB Cc1ccnc(NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n1 106914372 PHYHLVFNJZGJMF-UONOGXRCSA-N 318.446 2.720 0 40 DFAB O=C(CNc1cc(F)c(F)cc1Cl)NCC(F)(F)F 83144804 IRDFYOCUPHAYOW-UHFFFAOYSA-N 302.630 2.709 0 40 DFAB CCC[C@@H](C)NC(=O)COc1ccc(-c2noc(C)n2)cc1 40464727 HBRQDIXCZHCZSN-LLVKDONJSA-N 303.362 2.729 0 40 DFAB C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)ccc1Cl 96424489 NWRFVCGYWUKJNT-VIFPVBQESA-N 308.230 2.612 0 40 DFAB CC[C@]1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 5051752 GQOSAVMJKQCTCZ-GFCCVEGCSA-N 300.193 2.569 0 40 DFAB COc1ccccc1-c1ocnc1C(=O)NCc1cccnc1 12115154 MYTNDQDRMGUIIE-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB Nc1cc([C@@H]2CCCNC2)nc2cc(-c3cccc(F)c3)nn12 12338316 LFECDOUQZLOHBE-GFCCVEGCSA-N 311.364 2.585 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ncnc2sccc12 13147717 QJDJLYQVTTYAAX-PHIMTYICSA-N 305.403 2.860 0 40 DFAB COc1cccc(CN2CCN(Cc3cccnc3)[C@@H](C)C2)c1 19575656 JPWZAJLXUDGHNA-INIZCTEOSA-N 311.429 2.797 0 40 DFAB COC(CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)OC 161968648 ILPHZOXPLMDHMN-VIFPVBQESA-N 324.368 2.960 0 40 DFAB CN1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 23013494 JKEVQPVUKIVFKA-UHFFFAOYSA-N 300.324 2.777 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccccc1 10942697 FKKZXBHCIBIOLH-YVEFUNNKSA-N 312.321 2.641 0 40 DFAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NC1CCCC1 3445797 CEANLZDFVNAPCR-UHFFFAOYSA-N 317.719 2.834 0 40 DFAB COc1ccc(F)cc1CSc1ncnc2c1cnn2C 11683460 ZWQDIEYMWNUGRI-UHFFFAOYSA-N 304.350 2.803 0 40 DFAB O=C([C@@H]1CCCO1)N(CCc1ccccc1)Cc1ccncc1 6670833 NVXUHGCDGDZBTE-SFHVURJKSA-N 310.397 2.832 0 40 DFAB CCn1nccc1CNC(=O)c1ccc(Br)cc1 28219366 FAWWBSSQMHBNCL-UHFFFAOYSA-N 308.179 2.596 0 40 DFAB CC(C)N1CCO[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@@H]2C1 1565547537 JZYGVJUIIHHKFU-BRSBDYLESA-N 322.493 2.770 0 40 DFAB COc1c(F)c(F)cc(C(=O)N2Cc3cccnc3C2)c1F 585393406 KXMLPSNRTDHVNS-UHFFFAOYSA-N 308.259 2.664 0 40 DFAB O=C(NCCCn1cccn1)c1cc(Cl)nc2ccccc12 30170210 AGLPAAWGRQRCJY-UHFFFAOYSA-N 314.776 2.905 0 40 DFAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccs1 223164 HTNHTQJPGMHJON-UHFFFAOYSA-N 321.398 2.671 0 40 DFAB C1=C[C@H]2C[C@H]1C[C@@H]2CNC1CCN(CCc2ccncc2)CC1 101542762 ZKBLMYJGBQUFNZ-GBESFXJTSA-N 311.473 2.890 0 40 DFAB CCNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101926750 GFXUDFIYKYYVHY-KBPBESRZSA-N 324.371 2.595 0 40 DFAB COc1ccc(NC(=O)N(CCO)Cc2ccsc2)cc1 52121767 DLFTUDYRZHNJLT-UHFFFAOYSA-N 306.387 2.783 0 40 DFAB CCc1nc2ccccc2c(C)c1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32743316 NIPSKOQHODMSDM-MEBBXXQBSA-N 313.353 2.966 0 40 DFAB O=C(c1[nH]nc2c1CCCC2)N1CC[C@H](Nc2ccccc2)C1 102899073 LRWJUMUYDVHQAD-AWEZNQCLSA-N 310.401 2.615 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCc2cccs2)on1 21910482 NKGZGNNGNAHKDH-JTQLQIEISA-N 308.359 2.548 0 40 DFAB Cc1c(C(=O)N[C@H]2NC=CS2)oc2c1C(=O)CC(C)(C)C2 102932979 FYTCZLNWTWMRJH-CQSZACIVSA-N 306.387 2.564 0 40 DFAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 46763878 FEMXKMPJVVXEOW-LSDHHAIUSA-N 317.385 2.690 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C)n1C 421381 FSTZMKKKWYMLSI-NSHDSACASA-N 304.419 2.860 0 40 DFAB CCCN(CCc1ccccn1)C(=O)[C@@H]1Cc2ccccc2O1 61435614 ZMOLZWHWKBAYDH-SFHVURJKSA-N 310.397 2.866 0 40 DFAB CC(C)(C(=O)NCCCOC1CCOCC1)c1ccccc1 76022080 HJSQBXVXQSUDIL-UHFFFAOYSA-N 305.418 2.666 0 40 DFAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 1329868 OYLPKGZBRBVFJL-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB O=C(NC[C@H]1CCCO1)N1CC[C@H](Cc2ccc(F)cc2)C1 77538712 RMORHVHIPMEWPC-GDBMZVCRSA-N 306.381 2.579 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1 1475455 DUHSMLXYSDTPLS-QGZVFWFLSA-N 305.418 2.893 0 40 DFAB CC(=O)NCCCOC(=O)c1ncoc1-c1ccccc1Cl 78948190 FSEGHNORUFURGL-UHFFFAOYSA-N 322.748 2.678 0 40 DFAB CN(Cc1ccc(OC(F)F)cc1)C1CCS(=O)CC1 78969829 KZLCRVXLWGXFNU-UHFFFAOYSA-N 303.374 2.631 0 40 DFAB Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1 2656592 CEZSXQKFAJPXBR-UHFFFAOYSA-N 302.399 2.778 0 40 DFAB COc1ccc(-c2cc(C(=O)NCc3ccncc3)no2)cc1 22628819 VZJLYHGSDRYMQA-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1C[C@@H]1c1ccco1 84374330 GRULGUCOWHGCCU-UONOGXRCSA-N 312.325 2.978 0 40 DFAB CN(Cc1ccccc1OC(F)(F)F)c1ncnc2nc[nH]c12 47510647 LQXSJAUKTISDGK-UHFFFAOYSA-N 323.278 2.888 0 40 DFAB COc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 8699189 KHORCGWXPAYAIP-SJORKVTESA-N 311.381 2.995 0 40 DFAB Cc1nc(NC(=O)CCCc2nnc3ccccn23)sc1C 72402378 XTWAZIRPUFXAOW-UHFFFAOYSA-N 315.402 2.764 0 40 DFAB COc1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 12583575 UKXGZHFXFMIHGB-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB COc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C)cn1 106523701 KSPPQUJLYSBCPM-CYBMUJFWSA-N 311.385 2.919 0 40 DFAB Cc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn32)c1 1431803 LAPHTCJIFBCMMS-NSHDSACASA-N 311.366 2.539 0 40 DFAB Cc1oc(C)c(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c1C 44906748 UHKZRIDKLHHVNK-UHFFFAOYSA-N 314.385 2.837 0 40 DFAB Cn1nccc1C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 58304727 FJGPXZCJQRELEM-KRWDZBQOSA-N 319.836 2.987 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1nc(C)c(C)s1 28248693 IBXUIVRYYMCTQD-UHFFFAOYSA-N 312.416 2.878 0 40 DFAB Cc1nc2cc(F)cc(C(=O)NO[C@@H]3CCCCO3)c2nc1C 58416161 NVZKHXPZQDNZPT-CQSZACIVSA-N 319.336 2.574 0 40 DFAB CC(C)OCc1ccccc1CN[C@@H](C(N)=O)c1ccccc1 28340991 FDANEQNTVGQVMB-GOSISDBHSA-N 312.413 2.928 0 40 DFAB O=C(Nc1nncs1)c1cc(-c2cccc(Cl)c2)[nH]n1 28937016 JKJUPOHEWDPXLD-UHFFFAOYSA-N 305.750 2.834 0 40 DFAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCC2 3432069 CIMMDQRMQQUMAJ-UHFFFAOYSA-N 311.337 2.922 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCc2sccc2[C@@H]1C 13007042 NHRFSTUJQZMIDT-VIFPVBQESA-N 312.416 2.661 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 62912639 ZEBGJPNYUHVSIW-ZDUSSCGKSA-N 301.264 2.642 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1C 408626209 UWLHOVJEUDUOJW-UHFFFAOYSA-N 310.419 2.518 0 40 DFAB COc1cccc(CC(=O)N[C@@H](CC(=O)O)c2cccs2)c1 13389596 JWEBSJWEYFCSEV-ZDUSSCGKSA-N 319.382 2.631 0 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300.358 2.899 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCCC[C@H]1Cn1cccn1 69970051 JYKPIYLGMYPMTL-ZDUSSCGKSA-N 316.430 2.912 0 40 DFAB CCN1CCN(C(=O)CCCn2ccnc2C)c2ccccc21 71896732 GMNQUZBZEBOZSF-UHFFFAOYSA-N 312.417 2.845 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CCO1 71828395 VVUNHFBUCRRMDT-MRXNPFEDSA-N 313.401 2.740 0 40 DFAB CN(C[C@@H]1CCCN1c1cccnn1)c1cnc2ccccc2n1 71859478 KUYTXBOIRNITMG-AWEZNQCLSA-N 320.400 2.525 0 40 DFAB Cn1c([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)nc2ccccc21 71839203 TVRNRTMQWJKFRC-XJKSGUPXSA-N 313.401 2.806 0 40 DFAB O=C1Cc2cc(-c3csc(NC[C@H]4CCCO4)n3)ccc2N1 9689936 QUBHNZNETRNTIH-GFCCVEGCSA-N 315.398 2.896 0 40 DFAB O=C(c1ccccc1OC(F)(F)F)N1CC[C@]2(CCOC2)C1 97033130 UYELGWKKFXGRGE-AWEZNQCLSA-N 315.291 2.838 0 40 DFAB Cc1nc2cc(C(=O)OCc3ncc(C(C)(C)C)o3)cnc2[nH]1 97110906 UIYJJASNCUHMKY-UHFFFAOYSA-N 314.345 2.909 0 40 DFAB CCN1C(=O)CCc2cc(NC(=O)NCc3ccncc3)ccc21 97136525 XXAXWLZNRSKGCW-UHFFFAOYSA-N 324.384 2.702 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1occc1-c1ccccc1 75143465 ZUNRLWDOEFWIMX-MRXNPFEDSA-N 305.399 2.790 0 40 DFAB CC(C)Oc1ccccc1-c1n[nH]c(SCCC(=O)O)n1 26806822 RSKOZQBPLSHKNH-UHFFFAOYSA-N 307.375 2.826 0 40 DFAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 126408905 GJQKZMAEZZBFNL-FXUDXRNXSA-N 324.465 2.549 0 40 DFAB COc1cc(CO)cc(I)c1OC(C)C 34772894 MORKOUSSEURQET-UHFFFAOYSA-N 322.142 2.579 0 40 DFAB O=C(NCCC1=CCCCC1)N1CCCN(C(=O)C2CC2)CC1 121911873 PJMSZWPOMZUOFR-UHFFFAOYSA-N 319.449 2.531 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@H]2N)cc1 218486945 PNUSQSAOUXUMJN-XHSDSOJGSA-N 321.829 2.915 0 40 DFAB CC[C@H]1c2ccccc2CCN1C(=O)Cn1nnc2ccccc21 74643441 JGZVERBGLNUDMG-KRWDZBQOSA-N 320.396 2.967 0 40 DFAB CN(Cc1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 79439685 HCLCHSSZDVZUSO-UHFFFAOYSA-N 305.422 2.913 0 40 DFAB OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 70453346 GBDCNFJDVVOMOJ-IBGZPJMESA-N 313.397 2.631 0 40 DFAB C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 566910634 UQMVVRPVCZEZNQ-RVSPLBMKSA-N 300.333 2.602 0 40 DFAB O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cnccn1 70874579 AXKUVSUYPNNDRF-QGZVFWFLSA-N 311.385 2.691 0 40 DFAB Cc1cccc(-c2cccc([C@H]3CCCN(CC(N)=O)C3)n2)c1 72367810 NQOFGFRJFNBCQJ-INIZCTEOSA-N 309.413 2.722 0 40 DFAB O=c1[nH]c(CNc2ccccc2)nn1Cc1ccccc1Cl 36559145 ZIIKGEYHESFCCP-UHFFFAOYSA-N 314.776 2.885 0 40 DFAB COc1ccnc(C(=O)NCCc2nc3ccccc3s2)c1 74718444 GPWKWRNLCNXSDN-UHFFFAOYSA-N 313.382 2.672 0 40 DFAB C[C@H]1Cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2N1 78403795 NCUWOHNYAYKVDQ-ZDUSSCGKSA-N 316.426 2.564 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2)c1 45956493 AHZQEMHEUTUIDT-UHFFFAOYSA-N 320.396 2.834 0 40 DFAB CC[C@H](NC(=O)N1CCO[C@](C)(CC)C1)c1c(C)nn(C)c1C 195574839 UZUBHFXCFUKHSQ-WMLDXEAASA-N 322.453 2.699 0 40 DFAB O=C(O)C[C@H](CC(=O)NCCc1ccco1)c1ccc(F)cc1 226750417 VATDHATVKUFAQD-ZDUSSCGKSA-N 319.332 2.726 0 40 DFAB O=C(Nc1cnc(-n2cccn2)nc1)c1ccc(F)cc1Cl 224243957 BPGZDEOQNPTNFU-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCCOc1ccc(Cl)cc1C(=O)NCc1nccn1C 96454300 CSZWDUIFSREVJX-UHFFFAOYSA-N 307.781 2.792 0 40 DFAB Cc1cccc([C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1C 96423788 GNPCKOZECUGQOG-QGZVFWFLSA-N 310.397 2.979 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3cc(C)on3)C2)cc1 96192817 PJGSELBXMJTXTE-INIZCTEOSA-N 315.329 2.513 0 40 DFAB O=C(c1ccco1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96053879 MXGVQKXKPDNNAF-GASCZTMLSA-N 314.360 2.623 0 40 DFAB COc1ccc(-c2nc([C@H](N)c3ccc(OC)cc3)n[nH]2)cc1 95533656 FGEMBNQBGIUGSV-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1 91364504 XFLWKDDRBBGWAO-KRWDZBQOSA-N 315.461 2.870 0 40 DFAB Cc1ccc(-c2cc(Cn3nc4ccccn4c3=O)on2)cc1 96402305 WCXXOLXLSLOSEG-UHFFFAOYSA-N 306.325 2.508 0 40 DFAB CCc1sc([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1C 97104515 QQDPZMADRRAUDO-MISXGVKJSA-N 317.476 2.777 0 40 DFAB Cc1csc(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)c1 96119444 SNEPIFHXFZXYKG-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB Cc1cc(CN2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)no1 96046273 VSULSUYAFJRQMP-FPMFFAJLSA-N 305.403 2.792 0 40 DFAB Cc1ccc(O[C@@H](C)CNC(=O)CCc2cscn2)cc1 96431408 LXNVQRLAVKQATD-ZDUSSCGKSA-N 304.415 2.968 0 40 DFAB CCc1ocnc1C(=O)NCCNc1ccc2ccccc2n1 96436749 SBFDXUKNSGPMKI-UHFFFAOYSA-N 310.357 2.627 0 40 DFAB C[C@](O)(CNC(=O)Cc1cccs1)c1ccccc1Cl 97379010 AVERUQSWMNTMPV-HNNXBMFYSA-N 309.818 2.968 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)CC(c2ccccc2F)=NO1 96192511 NOGAOFSBBBJQAJ-CQSZACIVSA-N 305.334 2.804 0 40 DFAB Cc1ccc(C(=O)N2CCN(CC3CC3)c3ncccc3C2)o1 96198927 DREFBSVYTFJBRT-UHFFFAOYSA-N 311.385 2.855 0 40 DFAB Cc1csc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccc(C)o2)n1 96439761 XSSRFGFWHPNQOU-ABAIWWIYSA-N 323.418 2.621 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(CC4CCOCC4)C[C@@H]3C2)c1 96053904 NKGIUXMIBOBKQX-QZTJIDSGSA-N 318.436 2.616 0 40 DFAB CN(C[C@H]1CCCN1Cc1ccncc1)C(=O)OC(C)(C)C 96441679 VRLUVZHROJOQLR-OAHLLOKOSA-N 305.422 2.913 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCS1 96432301 BONWIESDDMOQSH-OAHLLOKOSA-N 318.442 2.785 0 40 DFAB CCc1nc(C)sc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2 257173594 RNSWLSWZGSHLCM-UHFFFAOYSA-N 315.398 2.852 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccncn3)cc2[nH]1 257264465 LUNAKFKWUZGEHQ-INIZCTEOSA-N 307.357 2.639 0 40 DFAB O=C(N[C@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@@H]1c1cccc(Cl)c1 253370871 XKWYGCMMKLSAKX-MQYQWHSLSA-N 307.777 2.813 0 40 DFAB COC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1cc(O)ccc1OC2(C)C 257206117 BBXSFVFIGQHFPO-PVXIVEMSSA-N 306.358 2.963 0 40 DFAB Cc1cc(C)c2nc(O)c(CN[C@H]3CCCC[C@@H]3O)cc2c1 585291533 ABQXPNFKLZQWHI-HOTGVXAUSA-N 300.402 2.950 0 40 DFAB CCc1cnc(NC(=O)N[C@H](CCCO)c2ccccc2)o1 585140241 AQNNUDAASIDYPR-CQSZACIVSA-N 303.362 2.872 0 40 DFAB CC[C@H](C)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104203 KRYIFUKAZSPNJF-QFBILLFUSA-N 316.445 2.536 0 40 DFAB Cc1nc(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)no1 89718380 OGTTZNOLBGHRNN-RFAUZJTJSA-N 318.352 2.640 0 40 DFAB CSC[C@H](C)NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 84640616 QTBOYLORECNKFO-XJKSGUPXSA-N 308.447 2.695 0 40 DFAB CC(C)[C@@H](CNc1cnn(C)c(=O)c1Cl)Nc1ccccc1 78600939 JSIZFVBBFUUKON-CYBMUJFWSA-N 320.824 2.982 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)F)C(F)(F)C1 504815838 IXYHNGDUMGISFM-VIFPVBQESA-N 305.243 2.556 0 40 DFAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(O)cc1 5061202 IKEWSWNCMBUEKW-UHFFFAOYSA-N 313.353 2.598 0 40 DFAB N=C1NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S1 5772178 RESLZMRIVXVJFC-KPKJPENVSA-N 314.322 2.783 0 40 DFAB O=c1ccc2cc(S(=O)(=O)NC3CCCCCC3)ccc2o1 12420620 AZRVVOLHEYBTLO-UHFFFAOYSA-N 321.398 2.794 0 40 DFAB CC(C)OC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 13522705 MGTBDLFYXNTYGI-UHFFFAOYSA-N 320.349 2.689 0 40 DFAB Cc1cc2nc(COC(=O)c3ccccc3Cl)cc(=O)n2o1 15734197 ZSOPKLULMZBAAO-UHFFFAOYSA-N 318.716 2.606 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)CCc1ccccc1 16092397 RTCCLJAYAAUBBM-LLVKDONJSA-N 308.403 2.591 0 40 DFAB CCc1nnc(-c2ccccc2)n1-c1cccc(OCC(=O)O)c1 19927126 OJQQVCGNHDEUJT-UHFFFAOYSA-N 323.352 2.960 0 40 DFAB CCc1nnc(S/C(=C\c2cccc(OC)c2)C(=O)O)[nH]1 7342497 CFDSAGBRDQBQHH-FLIBITNWSA-N 305.359 2.594 0 40 DFAB O=C(NC/C=C/Br)N[C@H]1CCNc2ccccc21 5594014 DMWCISDXUFPTJO-QBODLPLBSA-N 310.195 2.751 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](OCC2CC2)C1 390830491 LJLHGKMSULCTJE-JSGCOSHPSA-N 307.365 2.621 0 40 DFAB COc1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1F 2628084 APYZVMFDCVHZMY-UHFFFAOYSA-N 320.364 2.835 0 40 DFAB COc1cccc(OC)c1OC(=O)c1ccc2c(c1)OCCO2 5936404 DRGPHAYXJJCZOE-UHFFFAOYSA-N 316.309 2.694 0 40 DFAB CCc1cnc(OC2CCN(C3CCSCC3)CC2)nc1 1888834322 CUHCRIKOZNHCEM-UHFFFAOYSA-N 307.463 2.778 0 40 DFAB COC(=O)c1ccc(C(=O)NCC2(c3ccsc3)CC2)cc1 1888921708 XRMDFSQAVVOTTC-UHFFFAOYSA-N 315.394 2.996 0 40 DFAB CC(=O)CCN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 18415745 JPBCRIKJZJKGPL-GOSISDBHSA-N 310.353 2.586 0 40 DFAB O=C(N1CCC2(CC1)OCCO2)C12CC3CC(CC(C3)C1)C2 24996920 WJDDTBURUNHBHZ-UHFFFAOYSA-N 305.418 2.568 0 40 DFAB CC1(C)COCCN1C[C@H](O)c1ccc(Br)cc1 31912037 ZRJSGWMXSYEGFP-ZDUSSCGKSA-N 314.223 2.593 0 40 DFAB Cc1cc2s/c(=N\C(=O)c3snnc3C)n(C)c2cc1C 101074358 ZZQCRPHMIBOGFI-PFONDFGASA-N 318.427 2.758 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@@H](c1ccco1)n1cccn1 575612443 AHTLXSLYBHQLMZ-UZYOAWRESA-N 313.382 2.957 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C(C)=O)c[nH]1 40466613 YLKYJPXIJPVSND-UHFFFAOYSA-N 314.341 2.608 0 40 DFAB CN(C)C(=O)c1ccc(CNC(=O)Nc2ccccc2F)cc1 40489767 MWPVJKBWVNXMGC-UHFFFAOYSA-N 315.348 2.849 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)CCO3)n1 40541197 WTHSHTXPQKLHEP-GFCCVEGCSA-N 313.401 2.501 0 40 DFAB O=CN1CC(=O)N(c2ccccc2)c2c([nH]c3ccccc23)C1 209213 HWSMDJRVANESDR-UHFFFAOYSA-N 305.337 2.805 0 40 DFAB biogenic CC(C)=C[C@@H]1[C@H](C(=O)NCCN2CCCCCC2=O)C1(C)C 32309348 SSCDAYPUPRWIBD-GDBMZVCRSA-N 306.450 2.744 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 371748 OPUFOLPIZQHECB-MRVPVSSYSA-N 324.265 2.931 0 40 DFAB CCC1=NN(C(=O)CCc2ccccc2)[C@](O)(c2cccnc2)C1 371045 VZEKIPTWBMIPIW-LJQANCHMSA-N 323.396 2.858 0 40 DFAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(OC(F)F)cc1 32902028 AZGSMNGBYBMEAU-SECBINFHSA-N 314.332 2.777 0 40 DFAB O=C(CCc1ccccc1)NC1CCN(Cc2cccnc2)CC1 52728850 UWVBXILDPNFTED-UHFFFAOYSA-N 323.440 2.795 0 40 DFAB Cc1ccc(-c2csc3nc(-c4nnc[nH]4)[nH]c(=O)c23)s1 102747791 IUSMIAXRKTXGFX-UHFFFAOYSA-N 315.383 2.807 0 40 DFAB COC(=O)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 46702792 ZJDQIVOAPZLZMO-UHFFFAOYSA-N 318.329 2.506 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccnc1 271269 SPJHVIBFWHVLGQ-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB COc1cc(NC(=O)c2cccc(OC)c2OC)cc(OC)c1 496403 CGYDWQHRBJAYQZ-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780493 AAICQWZSFIGNPC-UHFFFAOYSA-N 315.200 2.592 0 40 DFAB COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 1358474 GFOGYTOOYQROHW-UHFFFAOYSA-N 311.341 2.691 0 40 DFAB O[C@@H](COCc1ccccc1F)CN1CCOc2ccccc21 78395738 AYXZVCAFSAOCSC-OAHLLOKOSA-N 317.360 2.602 0 40 DFAB O=C(NCCSCCCO)Nc1ccc(C(F)(F)F)cc1 78530002 IEQKZVCAKJDKDR-UHFFFAOYSA-N 322.352 2.943 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1ccsc1 53337475 XWYAIIUQDJWNOQ-VOTSOKGWSA-N 314.410 2.666 0 40 DFAB COc1cc(C(=O)N2CC[C@@H](C(C)C)C2)cc2c1OCCO2 79070397 IJIHARRJAGQPQN-GFCCVEGCSA-N 305.374 2.585 0 40 DFAB C[C@H](Sc1nncs1)C(=O)N1c2ccccc2C[C@@H]1C 2635011 TWGIJTVTOVQQTI-UWVGGRQHSA-N 305.428 2.997 0 40 DFAB CCn1cc(Cl)c(C(=O)N[C@H](C)CN(C(C)C)C(C)C)n1 2782006 TYKWAVLYQCWFHO-GFCCVEGCSA-N 314.861 2.794 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1cncc(Br)c1 22614969 UWYKCIJNOLJTSP-GHRIWEEISA-N 320.190 2.643 0 40 DFAB CCc1nnc(NC(=S)NC(=O)c2ccccc2C)s1 6169056 MPINERZKPDBRAR-UHFFFAOYSA-N 306.416 2.536 0 40 DFAB O=C(OCc1nc(-c2cccc(Br)c2)no1)C1CC1 7398190 COZNUKLOKCWSGA-UHFFFAOYSA-N 323.146 2.952 0 40 DFAB COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OC 7601125 ZTYJHYUVAJZMRO-UHFFFAOYSA-N 314.798 2.663 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1cccnc1 7782167 KFTSIAFXNGDXDI-UHFFFAOYSA-N 306.797 2.826 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)N[C@H](C)CCc1ccccc1 42927856 VYSUAWJPRNKELD-CQSZACIVSA-N 314.433 2.971 0 40 DFAB COC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1391157 HDXQCFQSCNDMAW-UHFFFAOYSA-N 312.152 2.990 0 40 DFAB COC(=O)CNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 55879567 NHMGZIWDVMPJEE-NSHDSACASA-N 324.808 2.940 0 40 DFAB c1ccc(Cn2ccnc2CN2C[C@H]3[C@@H]4CC[C@H](O4)[C@H]3C2)cc1 102704955 XENPADVYIIMZBP-MHORFTMASA-N 309.413 2.541 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cn1 57174402 CHGCTXYHIKKLES-GOSISDBHSA-N 309.413 2.671 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)C[C@@H]1C=CCC1 57755709 XKYYQUKVUSMUGA-LLVKDONJSA-N 301.312 2.760 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 48020401 FBKIZGZJUUJKHB-CHWSQXEVSA-N 320.389 2.895 0 40 DFAB Cc1ccc(CN(C)C(=O)CN2CCc3sccc3C2)o1 44895170 BDHHGFYOOSIOFC-UHFFFAOYSA-N 304.415 2.666 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)C1CCCC1 58201707 NHAZEAXHOYHWJJ-KRWDZBQOSA-N 314.429 2.527 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc2c(c1)OCO2 23186851 LVACTNPDEDHKRG-UHFFFAOYSA-N 324.340 2.956 0 40 DFAB NC(=O)[C@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 10377013 NGZPLAMPQVCOIB-QGZVFWFLSA-N 320.348 2.861 0 40 DFAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OC 22076056 VPBRWXUOJVJKJA-INIZCTEOSA-N 301.386 2.917 0 40 DFAB COc1ccc(OC)c(C(=O)Nc2c(C)cnn2CC2CC2)c1 58331132 NRSPFDZVZRHALQ-UHFFFAOYSA-N 315.373 2.871 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C 28046178 ZHWMAPBQEQLNOG-VIFPVBQESA-N 319.448 2.590 0 40 DFAB CCN(CC)Cc1nc(C2(NC(=O)C3CCC3)CCCC2)no1 58424635 DHDUAZIEUVZGME-UHFFFAOYSA-N 320.437 2.597 0 40 DFAB Cc1cc(C)n([C@H](C)C(=O)Nc2cccnc2-n2ccnc2C)n1 58407316 MLBJWCWBEOKPBQ-CYBMUJFWSA-N 324.388 2.589 0 40 DFAB CC1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 28700795 HGQHULCKLTVKII-UHFFFAOYSA-N 313.401 2.864 0 40 DFAB CC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C 20151229 NHWWOEFFQKGNHB-UHFFFAOYSA-N 304.371 2.580 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)no1 3498755 RALFGAFTSONQSA-UHFFFAOYSA-N 320.370 2.719 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 12972975 QTTQFIFPSWJCAZ-ZDUSSCGKSA-N 324.384 2.991 0 40 DFAB Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1F 4285001 SIOOSNVGIJUNHN-UHFFFAOYSA-N 324.294 2.998 0 40 DFAB Cc1cccc(C)c1OC1CCN([C@@H]2C[C@H](C)OC2=O)CC1 65554633 IZCAEBBGIVRNRM-GOEBONIOSA-N 303.402 2.851 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3n2C)cc1 5322801 QKOINNWLWTWXNP-UHFFFAOYSA-N 301.371 2.683 0 40 DFAB O=C(O)CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 4570345 LEMFGUMTQLTDBL-GFCCVEGCSA-N 316.313 2.805 0 40 DFAB O=S(=O)(Nc1ccnn1Cc1ccsc1)c1ccccc1 66241940 CHEBVJIYUWAZBF-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB COc1ccc(C(C)=O)cc1Cn1cnc2ccccc2c1=O 6841951 ITSBBDYWJJFWGE-UHFFFAOYSA-N 308.337 2.656 0 40 DFAB CC(C)NC(=O)NC(=O)COc1c(Cl)cccc1Cl 6918377 BAXBMVCRMFEJAD-UHFFFAOYSA-N 305.161 2.606 0 40 DFAB COc1cccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c1 67292630 BJUAWHYROAEBIT-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)NC3=NCCS3)cc12 15422797 WJSJYVVDKQRZTA-UHFFFAOYSA-N 322.459 2.895 0 40 DFAB CC(C)C[C@@H]1COCCN1C(=O)Nc1ccccc1[S@@](C)=O 80134079 ANVXKXVTTZBZES-DMZKTXOQSA-N 324.446 2.703 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)NCc1cccs1 7297331 IJGOZOYWHRULBM-SNVBAGLBSA-N 318.427 2.588 0 40 DFAB Cn1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cn1 8158006 HJCCUVOLZZCLBY-UHFFFAOYSA-N 301.390 2.526 0 40 DFAB CCCc1nc(C(=O)NCc2cnn3ccccc23)cs1 72139165 PAULHDZQZKSXRZ-UHFFFAOYSA-N 300.387 2.673 0 40 DFAB O=C(c1ccncc1)N1CCn2c(-c3cccs3)cnc2C1 306126036 DKHZNESCYRHQLE-UHFFFAOYSA-N 310.382 2.663 0 40 DFAB C[C@@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@@H](C)O1 17288985 XPGJWEADVIKLOQ-JTNHKYCSSA-N 314.223 2.592 0 40 DFAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)N(C)c1ccccc1 71858932 GKBGYZURUMTJTQ-DMZKTXOQSA-N 320.414 2.592 0 40 DFAB O=C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@H]2C[C@H]2C1 408497098 IKGXUSBZGQSFKO-YIZRAAEISA-N 319.835 2.643 0 40 DFAB CC(C)CNC(=O)[C@H](C)[S@](=O)Cc1csc(C(C)C)n1 69897152 FPIQUPCVQJTHAI-YBTHPKLGSA-N 316.492 2.676 0 40 DFAB CNC(=O)[C@@H](Cc1ccccc1)S[C@@H](C)c1nc(C)no1 97114025 PIRSMNSXXHSYBD-GXFFZTMASA-N 305.403 2.530 0 40 DFAB C[C@](O)(CNC(=O)C[C@H]1CCCCO1)c1ccccc1Cl 97143430 GGYLXSGAQCHJDF-WBMJQRKESA-N 311.809 2.623 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc3ccccc3o1)CC2 97198512 KXZKQFTWJDNILI-ZDUSSCGKSA-N 324.384 2.893 0 40 DFAB CCCCc1nnc(SCc2cccc(NC(C)=O)c2)n1N 72302577 MNSNXHIWEVTPJN-UHFFFAOYSA-N 319.434 2.585 0 40 DFAB CO[C@@H](C(=O)OCC(=O)N(C)c1ccccc1)c1ccccc1 95360814 LTGIBECHVMLNMA-QGZVFWFLSA-N 313.353 2.580 0 40 DFAB CC(C)C(=O)N1CC[C@H](N[C@@H]2CSCCc3ccccc32)C1 95423794 NQLZCDPQDPDHIB-DOTOQJQBSA-N 318.486 2.864 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cn1 95469152 KWOWSSKSZFJDTD-UHFFFAOYSA-N 306.387 2.614 0 40 DFAB OC[C@H](NCc1cccc(-n2cccn2)c1)c1ccccc1F 95415491 VANYGNWFFMOHMO-SFHVURJKSA-N 311.360 2.835 0 40 DFAB C[C@H](c1ccccc1)[C@H](CO)NCc1ccc([S@](C)=O)cc1 85325086 RPTDYDVWBQYMLJ-JVJLVOBOSA-N 317.454 2.678 0 40 DFAB O=C(C[C@H]1CCCN1C(=O)[C@H]1CCCOC1)c1ccccc1 85482285 JJXMLWFEGNNAIX-JKSUJKDBSA-N 301.386 2.677 0 40 DFAB Cc1cc(Cl)cc(C)c1CN[C@H](C)CCS(C)(=O)=O 95988478 CARYGTBSIHSNDT-GFCCVEGCSA-N 303.855 2.870 0 40 DFAB Cn1cccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c1=O 95976801 LDWIYKPMQLQCFJ-UHFFFAOYSA-N 317.776 2.629 0 40 DFAB CC[C@@](C)(CC(=O)O)NC(=O)CCCOCc1ccccc1 95970255 WRFBELFSYXATFI-KRWDZBQOSA-N 307.390 2.743 0 40 DFAB COCCN(C)c1ccccc1CNc1ncnc2ncccc12 95973321 BMIZRAOHRYHTAH-UHFFFAOYSA-N 323.400 2.720 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)N[C@H]2CCCSC2)c1 89960864 JJNVUTQCIHLYCZ-INIZCTEOSA-N 321.490 2.833 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 89960852 SLSDQBNFGTWQJU-CQSZACIVSA-N 317.433 2.817 0 40 DFAB CC[C@]1(C)Cc2nc3sc4c(=O)n(C)cnc4c3cc2CO1 32095373 JRYRFNSOJAVMTD-MRXNPFEDSA-N 315.398 2.785 0 40 DFAB Cc1nc(C(=O)OC2CCN(C(=O)OC(C)C)CC2)cs1 79037198 RNWBZLSHGHVVPZ-UHFFFAOYSA-N 312.391 2.618 0 40 DFAB O=C(CNCCOc1ccccc1)NCc1cccc(Cl)c1 49597298 PBKBCJUMXYLHIB-UHFFFAOYSA-N 318.804 2.625 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)c2c(F)cccc2Cl)n1 224186100 FDYUXSLQJZLMKH-UHFFFAOYSA-N 322.771 2.574 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 225144354 IVRLWMLETKENNW-UHFFFAOYSA-N 305.355 2.664 0 40 DFAB CN(CCCC(=O)Nc1ccccc1)C(=O)c1cscn1 225553930 QFLMNVNNUXDQGR-UHFFFAOYSA-N 303.387 2.634 0 40 DFAB CCn1nncc1C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 578004476 WEVHSPZKBYRACM-QGZVFWFLSA-N 316.380 2.675 0 40 DFAB COc1nn(C)c2c1CCCN(C(=O)Nc1ccc(C)cc1)C2 96254478 VJEBPRGJWDFQOO-UHFFFAOYSA-N 314.389 2.717 0 40 DFAB CSCc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)ccc1F 96445248 NMKCBVGZADYQDR-CYBMUJFWSA-N 324.421 2.559 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1C(C)C 96051765 VSXZTCCEQYXVEM-HNNXBMFYSA-N 320.433 2.631 0 40 DFAB C[S@@](=O)CCNC(=O)Nc1ccc(COC2CCCC2)cc1 96435109 HDGVLJXBJOOKHI-QFIPXVFZSA-N 324.446 2.646 0 40 DFAB CCOCc1cncc2c1CCN(Cc1csc(C)n1)C2 96189308 SXPJSBJBENAOKS-UHFFFAOYSA-N 303.431 2.941 0 40 DFAB CCOCC[C@@H]1CCOC12CN(C(=O)Cc1ccc(C)cc1)C2 247855388 CMITWUJVSGVNPD-QGZVFWFLSA-N 317.429 2.582 0 40 DFAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 257342844 ZQIVJWAWKFXPQR-QGZVFWFLSA-N 324.428 2.558 0 40 DFAB CNc1cc(C)nc([C@H]2CN(Cc3ccc(C)nc3)CCO2)c1 257207171 BGQUIKYHBHYNLS-GOSISDBHSA-N 312.417 2.709 0 40 DFAB CCO[C@@H]1CSC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 253386099 VPAIPPFKEHZXRF-ZDUSSCGKSA-N 307.415 2.512 0 40 DFAB COc1ccc(CN2CC[C@H](c3nc(C)cn3C)C2)c(F)c1 257234387 GTHRCFLBYGRPGT-AWEZNQCLSA-N 303.381 2.866 0 40 DFAB O=S(=O)(NCCc1ccc(F)cc1)c1ccc(F)s1 252504852 VNJYTLGGYFYMDC-UHFFFAOYSA-N 303.355 2.547 0 40 DFAB CN(C)C(=O)CN1CCC[C@@H](Cc2cnc3ccccc3c2)C1 257329074 XIHMPRADAZYDSP-HNNXBMFYSA-N 311.429 2.578 0 40 DFAB C[C@H]1CCC[C@H](c2nc(CC(=O)NCc3ccco3)no2)C1 350685948 PVVGGEOJQBUXCL-RYUDHWBXSA-N 303.362 2.815 0 40 DFAB Cc1cnn(CCc2nc(-c3ccc(C(F)F)nc3)no2)c1 585099412 FIMHJZRPCCTQCC-UHFFFAOYSA-N 305.288 2.817 0 40 DFAB C[C@H](NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 30944398 UVXJXZCYEYDUNY-AWEZNQCLSA-N 300.402 2.812 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1CC(F)(F)F 53754049 JCPSGEPMDWWYBR-NSHDSACASA-N 304.312 2.576 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)c1C 55675745 JBDCDJMCTKVOHI-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 1775995887 MFBXVQDFLKWBPV-OAHLLOKOSA-N 311.385 2.716 0 40 DFAB CCSCCN1CCCN(c2cc(OC)cc(OC)c2)CC1 95965484 ACRILONKDRIVLO-UHFFFAOYSA-N 324.490 2.969 0 40 DFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC=CCC1 75170250 ZTTAXHJEPCJXKZ-SWLSCSKDSA-N 313.319 2.909 0 40 DFAB CCO[C@@H](C)C(=O)Nc1ccn(Cc2cccc3cccnc23)n1 61313835 LJVIGNKTRMXXTI-ZDUSSCGKSA-N 324.384 2.843 0 40 DFAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCCC2)cc1 44773 RUCDRQKDUFSPKV-GHRIWEEISA-N 324.380 2.981 0 40 DFAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1CC 5658857 REGYJGALKYXFDK-UHFFFAOYSA-N 305.403 2.544 0 40 DFAB CC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 5396213 NWFJSTYEFRRMHB-KRWDZBQOSA-N 320.348 2.783 0 40 DFAB COc1cccc(/C=C/C(=O)Nc2nnc(C)s2)c1OC 14200604 CTGMDAARNSSCMW-BQYQJAHWSA-N 305.359 2.516 0 40 DFAB COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3cc1-2)OCO4 15264117 PGIOBGCIEGZHJH-UHFFFAOYSA-O 322.340 2.793 0 40 DFAB biogenic,in-vitro C[C@@H]1NC(=S)N(CC(c2ccccc2)c2ccccc2)C1=O 15569950 YAIDQPZSPWXUSV-ZDUSSCGKSA-N 310.422 2.924 0 40 DFAB CC[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)on1 16743196 JCICZVKXQJGUGF-LBPRGKRZSA-N 306.293 2.696 0 40 DFAB O=C(N[C@H](Cc1cccs1)c1nccs1)[C@H]1CCOC1 19343271 OKZQMYSBVMAYDJ-CMPLNLGQSA-N 308.428 2.641 0 40 DFAB O=C(OCCOc1cccnc1)c1noc2c1CCCCC2 158933313 AIWBXPQOWIFESL-UHFFFAOYSA-N 302.330 2.574 0 40 DFAB CC(C)N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 12442738 BVJKCIHJVOQMJI-UHFFFAOYSA-N 324.852 2.955 0 40 DFAB COc1ccc(CCNC(=O)COc2ccc(F)cc2)cc1 2630194 CFALZWXVLRLVPH-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB COc1ccc(CC(=O)NCc2ccc(F)cc2)c(OC)c1 16640575 VBEZLCXRSZQBCN-UHFFFAOYSA-N 303.333 2.702 0 40 DFAB CN1c2ccccc2C(=O)N[C@H]1c1cnn(-c2ccccc2)c1 19354048 FMQKCJLQAFXAED-QGZVFWFLSA-N 304.353 2.751 0 40 DFAB CC(C)N(C(=O)CSc1nnc(-c2ccncc2)o1)C(C)C 4941550 HSKYDXLNHBWWQV-UHFFFAOYSA-N 320.418 2.869 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC(=O)N2C 9134325 QDVXKEAKDQHPEO-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40498945 NNBCPDAXPYEUTN-CQSZACIVSA-N 316.332 2.893 0 40 DFAB CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 100744503 SCDUMUWKRLNRKZ-LDRANXPESA-N 306.365 2.760 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 40526583 MVSLODWCFJZEOK-RYUDHWBXSA-N 310.419 2.600 0 40 DFAB Cc1cc(=O)n2nc(Sc3cc(F)ccc3F)sc2n1 40511137 OPILLHJCJDQEEZ-UHFFFAOYSA-N 311.338 2.889 0 40 DFAB COC(=O)c1ccccc1Nc1c(N)oc(=O)c2ccccc12 101426129 PRANHWVLNMZRCR-UHFFFAOYSA-N 310.309 2.905 0 40 DFAB COC(=O)c1ccoc1COC(=O)c1cn(C)c2ccccc12 32894883 FCWHCQMDEDZWEB-UHFFFAOYSA-N 313.309 2.915 0 40 DFAB Cc1cccc(C)c1OC[C@H](O)Cn1c[n+](C)c2ccccc21 307223 CPNCVBFXLYBWLM-MRXNPFEDSA-N 311.405 2.523 0 40 DFAB Cc1cccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c12 537894 RUZOSZRGIFVEIM-UHFFFAOYSA-N 324.384 2.763 0 40 DFAB C[C@H](NC(=O)CNCCn1cccn1)c1ccc2ccccc2c1 72267824 QLQAAOFJVRLIOB-HNNXBMFYSA-N 322.412 2.503 0 40 DFAB COCc1cccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 46954143 HBXKFYGLEZVHBB-CABCVRRESA-N 304.434 2.683 0 40 DFAB Cc1cc(C(=O)NCCc2ccccc2Br)on1 61264112 LRCRKRIUMPHTER-UHFFFAOYSA-N 309.163 2.718 0 40 DFAB O=C(O)[C@H](Cc1cccs1)C(=O)OCCc1ccccc1 1593516 UUXHMVYYKKIRHG-AWEZNQCLSA-N 304.367 2.777 0 40 DFAB CCCCn1cnc2c(SCc3ccncc3)nc(N)nc21 1682634 ATEYEZQXRVPHMS-UHFFFAOYSA-N 314.418 2.896 0 40 DFAB Cc1c(COc2ccccc2)cccc1NC(=O)NCCO 78973104 PSNUBVHOBYGEDV-UHFFFAOYSA-N 300.358 2.688 0 40 DFAB COC(=O)C[C@H](c1c(F)cccc1Cl)c1c(O)n[nH]c1C 79489815 IQMHFQNPMQRUNH-QMMMGPOBSA-N 312.728 2.911 0 40 DFAB C[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC(C)(C)C 4967016 BIRRKQBAJFSPNW-SECBINFHSA-N 308.403 2.700 0 40 DFAB Cc1cc(C)cc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c1 7882566 YIIHRJIYFIMXPR-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB COc1ccccc1-c1cc(C(=O)NCC(F)(F)F)no1 47528273 OOJRMHANWDRXBJ-UHFFFAOYSA-N 300.236 2.642 0 40 DFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2C)C1=O 981699 MSWOSKVCTAQXNQ-ZDIKFAODSA-N 305.355 2.593 0 40 DFAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCOC(C)C 8040925 XOJVCLVRXGROMC-AWEZNQCLSA-N 309.406 2.784 0 40 DFAB O=c1ccc(-c2nnco2)cn1CCOc1ccccc1Cl 43241834 NBRLZUOCGOEDDX-UHFFFAOYSA-N 317.732 2.631 0 40 DFAB CNC(=O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 24807909 XOVHLUVWOHNQSI-UHFFFAOYSA-N 316.323 2.543 0 40 DFAB CC(C)CNC(=O)CN1CCC[C@@H]1COc1ccc(Cl)cc1 26722674 PYESHGPAXHYRGG-OAHLLOKOSA-N 324.852 2.955 0 40 DFAB CCn1c(C)cc(C(=O)NCCc2ccc3c(c2)OCO3)c1C 27135985 UMJACTSWPGEZBX-UHFFFAOYSA-N 314.385 2.826 0 40 DFAB C[C@H]1CN(c2nn3cc(-c4ccccc4)nc3s2)CCO1 12777253 BUXNYCKNZWAWNH-NSHDSACASA-N 300.387 2.683 0 40 DFAB CN(C)[C@@H](CNC(=S)NCc1ccccc1)c1ccco1 3331091 WITDFTOYIIDHGW-AWEZNQCLSA-N 303.431 2.547 0 40 DFAB Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)o1 44967016 YGDVWCSCVHEAEU-LBPRGKRZSA-N 313.357 2.609 0 40 DFAB COc1ccccc1CC(=O)NCc1noc(-c2ccccc2)n1 58341863 JRYLPQHULVQEMI-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1cc(F)cc(F)c1 10789558 VEKSOOZPFBRNHP-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CCC(CC)NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 11428419 BUZURIAQQYLYHA-INIZCTEOSA-N 306.406 2.567 0 40 DFAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCOCC1 2626290 ZSEBEKGQCODPJX-JTQLQIEISA-N 308.428 2.636 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC1CCCC1 8984915 SETNLQSNXCUXFL-UHFFFAOYSA-N 313.401 2.852 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1O)c1ccc(Cl)s1 3529447 UZOQDCMVFFYHAX-UHFFFAOYSA-N 312.730 2.852 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2cc(C)oc2C)c1 3525732 ZLPDPLHXSJQVIT-UHFFFAOYSA-N 303.314 2.701 0 40 DFAB O=C(COc1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 4027658 DIKOUAQKMBITBO-DOTOQJQBSA-N 303.402 2.873 0 40 DFAB biogenic Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(N2CCCC2=O)cc1 64347492 YIUVABQYPTXTPV-UHFFFAOYSA-N 324.384 2.975 0 40 DFAB COCCN1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 409131899 PNCGAAMKJBLPOE-UKTHLTGXSA-N 307.371 2.686 0 40 DFAB C[C@H](OC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(N)=O 5108759 OOYUHQYLVSJDSD-JTQLQIEISA-N 310.309 2.525 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nc2ccccc2o1 9216789 VJRDXOPDTQLPKW-UHFFFAOYSA-N 313.357 2.973 0 40 DFAB CCc1cc(=O)[nH]c(-c2ccc(N3C[C@H](C)C[C@@H](C)C3)nc2)n1 65566143 YEDUDCZMGBVRIV-CHWSQXEVSA-N 312.417 2.877 0 40 DFAB O=C(NCCCOc1ccccc1F)c1ccc2[nH]cnc2c1 9835621 GUKGOAQSSJQYED-UHFFFAOYSA-N 313.332 2.901 0 40 DFAB CC(C)c1nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)no1 96000833 LXBDNCUPVMZJLA-ZDUSSCGKSA-N 319.336 2.546 0 40 DFAB Cc1ccc(-n2c(C)nnc2SCC(=O)NC(C)(C)C)cc1 4835867 HLHHHKAKVMPXSY-UHFFFAOYSA-N 318.446 2.891 0 40 DFAB CCCCN(C)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66758594 GTVIPWUEACMGFL-UHFFFAOYSA-N 323.400 2.996 0 40 DFAB Cc1nc(C(C)C)sc1[C@@H](C)N[C@H]1CC(=O)N(C2CC2)C1 90181640 JEZPJRMFMBTUHA-PWSUYJOCSA-N 307.463 2.989 0 40 DFAB COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1F 7268266 PTUKLPINTHBNEC-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB CC(=O)Nc1cccc(N[C@H](C)C(=O)NC2CCCCC2)c1 7224645 RIZUSZGIVMLSRI-GFCCVEGCSA-N 303.406 2.894 0 40 DFAB O=C(CSc1nnc(C2CC2)o1)c1ccc2c(c1)OCO2 7289063 VAOZUQFQCZBLFP-UHFFFAOYSA-N 304.327 2.651 0 40 DFAB Cc1ccc(CCCNC(=O)CN2CCSC2=O)c(C)c1 7437115 FXBDMUDLAVMFRM-UHFFFAOYSA-N 306.431 2.521 0 40 DFAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCCN2C 68811824 AGDLHZCQLCVFMO-CJNGLKHVSA-N 318.417 2.592 0 40 DFAB Cc1c(C2CC2)n[nH]c1NC(=O)CCCc1nc(C2CC2)no1 96416989 MHQUCCTYZIGQTL-UHFFFAOYSA-N 315.377 2.817 0 40 DFAB COc1cc(Cl)ccc1C(=O)N[C@H](C)C(=O)NC1CCCC1 69393827 KGFUKORSAFDTDW-SNVBAGLBSA-N 324.808 2.526 0 40 DFAB CCOCCO[C@H](C)C(=O)N1CC[C@@H](c2ccccc2C)C1 69455934 WCWWHLLCBHGNCF-HZPDHXFCSA-N 305.418 2.753 0 40 DFAB Cc1cc(NOCc2ccccc2)n2nc(C(F)(F)F)nc2n1 69420108 DICOAOPWEKPDMJ-UHFFFAOYSA-N 323.278 2.995 0 40 DFAB Cc1cccc(C)c1OC1CCN(C(=O)[C@@H](N)C(C)C)CC1 96481175 IDONDRAHUVPYNT-INIZCTEOSA-N 304.434 2.657 0 40 DFAB Cc1ccc(-c2nnc3sc(-c4ccco4)nn3c2=O)cc1 9547154 YRCLHOZIJCCUDP-UHFFFAOYSA-N 310.338 2.781 0 40 DFAB O=C(CCn1cncn1)N(CCc1ccccc1)c1ccccc1 69517780 FLUISQGJAGTUDV-UHFFFAOYSA-N 320.396 2.944 0 40 DFAB COc1ccccc1C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 69591709 GPIHNYORNJBQSO-MRXNPFEDSA-N 324.380 2.573 0 40 DFAB COc1cc2ccncc2cc1OC(=O)c1c(C)nn(C)c1C 97047412 CXZIHGYJXDVMKQ-UHFFFAOYSA-N 311.341 2.813 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(OC)cc1F 69661367 AIPQPEMEMAHIPB-IRXDYDNUSA-N 320.408 2.923 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)on1 97017519 YITZCLDTHBFXRF-CYBMUJFWSA-N 320.320 2.883 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)C1 71835094 BVYPHDNGKMDSAH-GFCCVEGCSA-N 321.446 2.974 0 40 DFAB COCCNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 71882521 TZDOKQAXZJUAJW-UHFFFAOYSA-N 320.418 2.632 0 40 DFAB Cc1ncncc1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 69969461 LWVTUBAIGYPMQK-CQSZACIVSA-N 313.405 2.582 0 40 DFAB NC(=O)[C@@H](c1ccccc1)N1CCC(Oc2ccccc2)CC1 71824917 KTKLZSNNHRQYAH-GOSISDBHSA-N 310.397 2.756 0 40 DFAB C[C@H](NC(=O)CCN[C@@H](C)[C@@H](C)n1cccn1)c1ccccc1 71882253 ZINSKIZIAHCLGG-HRCADAONSA-N 314.433 2.690 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 8725736 KDLDNWOTCJDSEP-UHFFFAOYSA-N 323.395 2.736 0 40 DFAB Nc1nccnc1C(=O)N[C@@H](c1cccnc1)C1CCCCC1 95397309 JVZFMISRCIQITO-CQSZACIVSA-N 311.389 2.505 0 40 DFAB O=C(c1ccc(O)cc1)C1CCN(CC2(O)CCCCC2)CC1 95431532 DWCKLYSMXUFBCK-UHFFFAOYSA-N 317.429 2.982 0 40 DFAB Cc1cc(OC(C)(C)C(=O)N2CCOCC2)cc(C)c1Cl 20352267 NZXPNRLEGDYGBD-UHFFFAOYSA-N 311.809 2.973 0 40 DFAB COC1CCC(N(C)C(=O)CCSc2ccccn2)CC1 95964756 UCLZQLYQGQPDFO-UHFFFAOYSA-N 308.447 2.980 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c(=O)[nH]1 75122655 YDYREUMLDWLYNG-CYBMUJFWSA-N 318.760 2.590 0 40 DFAB Cc1noc([C@@H]2CCCCN2C(=O)NCCc2ccccc2)n1 67350554 CLEMOIWIGQSBBT-HNNXBMFYSA-N 314.389 2.857 0 40 DFAB CC[C@H](C)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 521395116 LTHLDCJEYNFJJV-AXFHLTTASA-N 318.464 2.574 0 40 DFAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12 4215816 UHQGCIIQUZBJAE-RRQVMCLOSA-N 302.414 2.883 0 40 DFAB biogenic,in-man O=Cc1ccccc1OCCN1CCN(c2ccccc2)CC1 31977575 DFXOJNMBENELIZ-UHFFFAOYSA-N 310.397 2.700 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)s1 78032317 ZUZHDNUOESIWTK-JOYOIKCWSA-N 321.427 2.671 0 40 DFAB OCCN1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72382180 VYDHXDBZGZKOAZ-SFHVURJKSA-N 300.377 2.941 0 40 DFAB O=C(O)c1ccc(CNC(=O)c2cncc3ccccc23)cc1 74473260 IMRLBINHYKOWKX-UHFFFAOYSA-N 306.321 2.863 0 40 DFAB COCCNC(=O)c1ccc(COc2ccc(F)cc2F)o1 32647883 QSNSZYQLQZRJAH-UHFFFAOYSA-N 311.284 2.513 0 40 DFAB CSc1cccc(NC(=O)COC(=O)c2ccc(C)nc2)c1 72330234 LJSDLYABJPRGRX-UHFFFAOYSA-N 316.382 2.907 0 40 DFAB CC(C)c1cc(C(=O)Nc2cnn(C)c2)n(-c2ccccc2)n1 71285065 FYRJFCIVLRSDOJ-UHFFFAOYSA-N 309.373 2.982 0 40 DFAB O=C(Cc1ccccc1Cl)NCCSC1CCOCC1 217700689 NZFFHWCKHSXYKX-UHFFFAOYSA-N 313.850 2.911 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(Nc3ccc(F)cc3)ncn2)C1 217363610 AKMXPWZTZHEYLL-LLVKDONJSA-N 316.336 2.660 0 40 DFAB O=C(CCn1ccccc1=O)NC1(c2cccc(Cl)c2)CC1 76934815 IXWQZEKZDJQJDF-UHFFFAOYSA-N 316.788 2.697 0 40 DFAB S=C(NC[C@H]1CCCO1)Nc1ncc(Cl)cc1Cl 223894862 WBRSWLDUTCFUOU-MRVPVSSYSA-N 306.218 2.854 0 40 DFAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 41594858 RRICSPQGUYWRAS-UHFFFAOYSA-N 314.429 2.860 0 40 DFAB COCCNCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 195543169 BBRSCWQQWNJINJ-QMMMGPOBSA-N 323.195 2.546 0 40 DFAB CSc1ncc(-c2nnsc2C(=O)OC2CCCC2)cn1 223854319 NHCVMVGDHFKJGN-UHFFFAOYSA-N 322.415 2.816 0 40 DFAB COCC[C@@H](NC(=O)[C@@]1(C)CCCN1)c1ccc(Cl)cc1 195554340 NPXBQUPGMJSCOM-GDBMZVCRSA-N 310.825 2.676 0 40 DFAB Cc1cc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)[nH]n1 96403829 BPTFJLQSDWCQAP-UHFFFAOYSA-N 304.375 2.689 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(Cc2nccs2)C3)cs1 96046421 JWGSZHXZKJZKTQ-UHFFFAOYSA-N 320.487 2.616 0 40 DFAB CN(Cc1ccncc1)C1CC2(CCN(c3ncccn3)CC2)C1 96038480 VIWTWVYDGFSQQI-UHFFFAOYSA-N 323.444 2.753 0 40 DFAB COC(=O)Nc1cccc(NC2CCN(CC(C)(C)O)CC2)c1 583651308 KMWPZDNZBZTEON-UHFFFAOYSA-N 321.421 2.512 0 40 DFAB O=C(NC1CCCCC1)N1CC[C@](O)(Cc2ccc(F)cc2)C1 331640043 XDLLEAWSYSKHEQ-SFHVURJKSA-N 320.408 2.847 0 40 DFAB C[C@@H](C1CCCCC1)N(C)Cc1nnnn1CC(F)(F)F 330031859 FDUKVBFPYPCTDF-JTQLQIEISA-N 305.348 2.636 0 40 DFAB O=C(CCSc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96123138 AIPYXKUYGPOYOD-CQSZACIVSA-N 317.414 2.965 0 40 DFAB COc1cccc([C@H]2C[C@@H]2C(=O)NC2CCN(C3CC3)CC2)c1 96404625 XBSMXVITSIUNLO-MSOLQXFVSA-N 314.429 2.542 0 40 DFAB O=C(O)c1ccc(CCNC(=O)c2cccc3cc[nH]c23)cc1 96426900 YPGBITLXGRCXGS-UHFFFAOYSA-N 308.337 2.839 0 40 DFAB C[C@]1(O)CN(Cc2ncccc2F)CC[C@@H]1Oc1ccccc1 257327487 XBNQEQXZJAFEIA-ROUUACIJSA-N 316.376 2.625 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 250408040 SSMYAGFEKNDCON-KKUMJFAQSA-N 303.402 2.941 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257235459 GXZBKJCYTWFJMX-AWEZNQCLSA-N 308.385 2.840 0 40 DFAB CNc1cc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)ccn1 257295635 QZFNPIFGCGJAFY-AWEZNQCLSA-N 323.462 2.575 0 40 DFAB Cc1cc(O)nc(NC(=O)c2cccc(Oc3ccccn3)c2)n1 96122651 PZDXGTJYDXMNNG-UHFFFAOYSA-N 322.324 2.930 0 40 DFAB O=C(NCCc1ccccc1)NCCn1cc(-c2ccco2)cn1 575614798 IHWMVUFUECRDTO-UHFFFAOYSA-N 324.384 2.685 0 40 DFAB O=C(CSc1nncs1)Nc1cccc(C(F)(F)F)n1 71854096 DFSZLCBIASEDIA-UHFFFAOYSA-N 320.321 2.683 0 40 DFAB Cc1nnc(NCCCC(=O)N2CCc3ccccc32)s1 89740822 NJWRYNRFXHLPFN-UHFFFAOYSA-N 302.403 2.628 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1(C)C 96418951 HNGZQUPCUSYGDH-HZPDHXFCSA-N 318.417 2.921 0 40 DFAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 176670 SOLRFDBUIJWGIT-WJDWOHSUSA-N 307.305 2.956 0 40 DFAB biogenic Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CC2CC2)c1C 12372607 OXWIBODXBRFQLF-UHFFFAOYSA-N 304.415 2.930 0 40 DFAB CC(C)CCOc1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1 9917838 SYBXXJSCAFBUDX-UHFFFAOYSA-N 320.433 2.756 0 40 DFAB O=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc2c1=O 6588688 GZWUVIWFQWLKOJ-UHFFFAOYSA-N 314.732 2.826 0 40 DFAB Cn1cc(-c2ccc(CCNC(=O)NC3CCCC3)cc2)cn1 1889148843 OCMRIOLZKHSANF-UHFFFAOYSA-N 312.417 2.871 0 40 DFAB O=C1CN(C(=O)c2ccc(Br)o2)c2ccccc2N1 22064140 SAMVXMOLUCDYLN-UHFFFAOYSA-N 321.130 2.641 0 40 DFAB COC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 22461862 PEAYSXLNAHBOHK-ZDUSSCGKSA-N 309.369 2.790 0 40 DFAB O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1C[C@@H]1CCCO1 141098 TZJCYORTWPUNAZ-OXJNMPFZSA-N 323.392 2.709 0 40 DFAB COC(=O)[C@H]1C[C@@H](N2CCCC2)CCN1CC1CCCCC1 2055772097 WQWDLTNJSVMDCR-DLBZAZTESA-N 308.466 2.669 0 40 DFAB O=C(/C=C/c1cccs1)N[C@H]1CCN(c2nccs2)C1 206808098 SWPGQSRTYAJYSU-UFFNRZRYSA-N 305.428 2.613 0 40 DFAB CC[C@@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCCC1 40092362 NDFLGAINQXLTMO-LBPRGKRZSA-N 303.362 2.539 0 40 DFAB CCC(CC)N(C1CC1)S(=O)(=O)c1ccc2c(c1)CCO2 40151518 ZHUDTEKJTKCKJJ-UHFFFAOYSA-N 309.431 2.963 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2ccsc2)n1 40122488 WSDIZVWUXNKSCR-GFCCVEGCSA-N 320.462 2.739 0 40 DFAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2)c2c(C)cccc21 100485547 NIKMAYKATPGOOS-KRWDZBQOSA-N 324.380 2.598 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]1c1ccccc1 20722949 LNBCWBZZQJTRDV-RDJZCZTQSA-N 310.353 2.550 0 40 DFAB COc1cccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 32202915 QTRYWGHITVKDFU-UHFFFAOYSA-N 324.380 2.534 0 40 DFAB biogenic CCC(C)(C)C1CCC(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 52554127 YCMSPKIRRXIHPM-HSBZDZAISA-N 315.479 2.532 0 40 DFAB O=C(COC1CCCC1)NCc1cccc(CN2CCCC2)c1 52590856 HZUVCZCVKKMMIY-UHFFFAOYSA-N 316.445 2.858 0 40 DFAB COc1cccc(Cn2nccc2NC(=O)C2CCC2)c1OC 52773488 CGRDBJYABDDSKI-UHFFFAOYSA-N 315.373 2.687 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@@H](C)C2)c2ccccc21 33184341 ASAMTEOHPBSZBS-KGLIPLIRSA-N 315.417 2.518 0 40 DFAB CS(=O)(=O)CCN1CCC[C@@H]1Cc1cccc2ccccc12 60890166 NRIDNUKZBFPYSQ-QGZVFWFLSA-N 317.454 2.891 0 40 DFAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1Cl 170192 FQLUSJLBTWSYOH-UHFFFAOYSA-N 313.140 2.716 0 40 DFAB CC(C)[C@@H](O)CCNC(=O)c1ccc(F)cc1Br 76022697 IMAISZYOSAIDTH-LBPRGKRZSA-N 318.186 2.725 0 40 DFAB CN(CC1CCC1)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 78614780 BIUJFKFCVDJZQL-HNNXBMFYSA-N 306.450 2.816 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)NCCCC(=O)O)s2)o1 78824842 GNLMNOKIUKXBKN-UHFFFAOYSA-N 308.359 2.615 0 40 DFAB O=C(Cc1ccc(Br)cc1)N1CCO[C@@H]2CCC[C@H]21 53382924 GEKMZKDBNSXRBO-ZIAGYGMSSA-N 324.218 2.772 0 40 DFAB O=C(CCc1ccc(F)cc1)Nc1nnc(-c2ccccn2)[nH]1 53525109 XMMIBUQSDLSKCT-UHFFFAOYSA-N 311.320 2.577 0 40 DFAB CONC(=O)/C=C/c1c(C)nn(Cc2ccccc2)c1Cl 53720466 INCCJQCLSWFPMT-CMDGGOBGSA-N 305.765 2.584 0 40 DFAB COc1cccc(OC)c1C(=O)c1ccc(OC(C)=O)cc1 43209997 NPAOYHAYSLKSGM-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CCOc1ccccc1OCCC(=O)OCC(=O)c1ccc[nH]1 3297719 RFKDMYXNUBREMF-UHFFFAOYSA-N 317.341 2.608 0 40 DFAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc2cc[nH]c2c1 72405840 CCJMUBLWTYELQM-MRXNPFEDSA-N 305.337 2.981 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)/C=C/c2ccco2)CCC[C@H]1C 107443686 ISHXVBNQBLMUMA-RKDLIQDISA-N 305.374 2.777 0 40 DFAB CCCN(CCC)C(=O)Nc1cccc(-c2nnnn2C)c1 43937419 QHVBVANMAXFDRL-UHFFFAOYSA-N 302.382 2.531 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccncc1 97380134 XJYMMTYUOVUVHQ-LBPRGKRZSA-N 315.421 2.902 0 40 DFAB Cc1cc(NC(=O)CN2CCCc3cc(F)cc(F)c32)no1 26725773 NQDCAVHYCLWYQU-UHFFFAOYSA-N 307.300 2.653 0 40 DFAB CCC(=O)NCC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 57559394 WQAHORQTWWLSAO-HZPDHXFCSA-N 302.418 2.697 0 40 DFAB CCNC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12790428 AYWXTXNVKWNVRQ-UCUJLANTSA-N 308.432 2.653 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)nc1 10056584 WMNYPFATQWRCEO-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB CC(C)(CNC(=O)NC1CCC(O)CC1)c1ccccc1F 58265199 HWXJLJXHLBHZIC-UHFFFAOYSA-N 308.397 2.706 0 40 DFAB COc1ccc(Br)cc1CNC(=O)c1ccncc1 58245242 BGOQWANWIYZUCT-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB CN(Cc1ccco1)C(=O)N[C@H](Cn1ccnc1)C(C)(C)C 48373960 MJJGSDZAZPOMOP-CQSZACIVSA-N 304.394 2.732 0 40 DFAB Cc1nn(C2CCCC2)c(C)c1C(=O)C1C(=O)CCCC1=O 103619370 ALCWZTHHYDUMGI-UHFFFAOYSA-N 302.374 2.736 0 40 DFAB CN(C)c1ncccc1CNC(=O)[C@@H]1CCCc2ccccc21 44935283 ASLAJRKETKKGGJ-QGZVFWFLSA-N 309.413 2.884 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccc(-c2nnco2)cc1 58391176 ORGBMUQWWKTPBR-UHFFFAOYSA-N 310.313 2.783 0 40 DFAB Cn1nccc1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1 58343784 UDWFACBZWQGIEL-UHFFFAOYSA-N 321.428 2.985 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc([C@@H](C)O)cc2)c1C 58406308 GWALEALZXBMXPO-GFCCVEGCSA-N 314.385 2.817 0 40 DFAB Cc1nc(CCNC(=O)[C@H](C)Oc2ccc(F)cc2)cs1 27988702 AYOAJNYPSABFSA-JTQLQIEISA-N 308.378 2.717 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 10873487 AAOLDXOLJUENNZ-UHFFFAOYSA-N 323.348 2.635 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3C2)c1C 10924518 OPEJUMDMLPDLGB-UHFFFAOYSA-N 318.398 2.678 0 40 DFAB CN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccnc1 11035944 MAAPYIHOOAKREP-MRXNPFEDSA-N 305.341 2.668 0 40 DFAB O=C(NCc1ccc(Cn2cccn2)cc1)NC(C1CC1)C1CC1 29735061 XIOGZEIYQGXCBJ-UHFFFAOYSA-N 324.428 2.919 0 40 DFAB CN1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 2654647 UGHGOLGXVHQJEF-UHFFFAOYSA-N 311.429 2.824 0 40 DFAB Cc1csc([C@@H](NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)n1 110681575 FBKQBRYFUVFWLE-XQHKEYJVSA-N 307.419 2.522 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 13170353 UHELIADUZBWQAK-MRVPVSSYSA-N 302.157 2.930 0 40 DFAB CCOC(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1cccs1 3886939 LWSFDJQISKYYSW-GFCCVEGCSA-N 310.444 2.836 0 40 DFAB O=C1NC(=O)c2ccccc2/C1=C/c1cn2cc(Cl)ccc2n1 64360289 UTADAXVYVRBSDR-AUWJEWJLSA-N 323.739 2.798 0 40 DFAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 4124953 SLYZKUXESZTYJH-AWEZNQCLSA-N 314.414 2.950 0 40 DFAB Cc1noc(C)c1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 65522329 ANPUKBDBYLGRGB-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB COC(=O)[C@@H](NC(=O)C[C@H]1C=CCC1)c1cc(F)ccc1F 65529790 GBMBJKFOWZAJCZ-BONVTDFDSA-N 309.312 2.651 0 40 DFAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)ccc2n1C 71796692 XTGMBKYCGDDQFI-INIZCTEOSA-N 323.400 2.593 0 40 DFAB COc1ccccc1CCC(=O)N1CC(=O)Nc2ccccc21 15911545 UISRYDCZKOHDLW-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB C[C@@H](CC[C@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1 83648941 DYKVXIVPUHQEJM-QWHCGFSZSA-N 300.468 2.871 0 40 DFAB Cc1cccc([C@@H]2CCCCCN2C(=O)CSCC(N)=O)c1 96410561 FVTYFFQDCYRBDW-HNNXBMFYSA-N 320.458 2.657 0 40 DFAB CCn1ccnc(N2CC[C@@H](CSc3ccccc3)C2)c1=O 91013252 NWPXMMUKJQPWCB-CQSZACIVSA-N 315.442 2.882 0 40 DFAB O=C(Cc1ccccc1Cl)Nc1ccc(O)cc1C(=O)O 8190045 XWEFGFLXAXVZNV-UHFFFAOYSA-N 305.717 2.925 0 40 DFAB CCN(c1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1)C(C)C 69581795 JGKKQKVKIJLECB-HNNXBMFYSA-N 314.433 2.936 0 40 DFAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cc(F)c(F)cc1F 95445486 BUFAGOHBQCHQMQ-SDBXPKJASA-N 313.275 2.939 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2cccnc2)CC1 71824422 YXZPZQVXOPRJSD-RTBURBONSA-N 321.424 2.530 0 40 DFAB NC(=O)[C@H](NCCOCc1ccccc1Cl)c1ccccc1 71830917 YYMBRMFRGCZYHP-MRXNPFEDSA-N 318.804 2.673 0 40 DFAB COCc1ccccc1C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 84110761 IQHQCNXIAVJBLY-CQSZACIVSA-N 313.401 2.884 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1 72273856 UHICRAYPFCZKMY-QWHCGFSZSA-N 304.419 2.963 0 40 DFAB Cn1nccc1NCc1cc(Br)cc2c1OCC2 97142167 JJOSOYQXCIYBNU-UHFFFAOYSA-N 308.179 2.730 0 40 DFAB C[C@@](NC(=O)CCc1ccc(Cl)s1)(C(=O)O)C1CC1 95989608 UCDRYAYHCGUFKV-ZDUSSCGKSA-N 301.795 2.704 0 40 DFAB COc1cccc([C@H](O)CNC(=O)C(C)(C)c2ccccc2)c1 89775516 XWTKQUGWYISOBM-QGZVFWFLSA-N 313.397 2.823 0 40 DFAB CCC(CC)NC(=O)c1cc2nccc(C(F)(F)F)n2n1 1548506634 GQSDRFVOMXEXLO-UHFFFAOYSA-N 300.284 2.667 0 40 DFAB CC[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccccc1 72239148 JHWDJWPCDOPSJD-OAHLLOKOSA-N 307.419 2.894 0 40 DFAB CC(=O)N1CCC[C@@H](c2cnc(Nc3cccc(C)n3)cn2)C1 72361748 BQGWWYKDCRDEIV-CQSZACIVSA-N 311.389 2.650 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCCCc2ccco2)c(C)c1 223623635 OFYUPXOBEHBIHB-UHFFFAOYSA-N 323.414 2.816 0 40 DFAB Cc1c(Cl)cccc1C(=O)N1CCO[C@@H](COCC2CC2)C1 225628073 WQEZRWKFINDGFD-CQSZACIVSA-N 323.820 2.916 0 40 DFAB CC(C)(C)SCc1cccc(NC(=O)[C@@H]2COCCN2)c1 225489005 VKBSSWCXANSYMI-AWEZNQCLSA-N 308.447 2.645 0 40 DFAB COc1cccc(C2=CCN([C@H]3CCN(C(C)C)C3=O)CC2)c1 195533359 WVZPTDLWIXSCCW-SFHVURJKSA-N 314.429 2.794 0 40 DFAB COc1ccc(OC)c(C(=O)c2cccc(OC(C)=O)c2)c1 43209893 AWPHRDKRMVPMAF-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB O=C(N[C@H]1CCCN(c2ccccn2)C1)C1CCC(F)(F)CC1 130804458 BOAUSWSEWHFWEG-AWEZNQCLSA-N 323.387 2.992 0 40 DFAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 222852614 UERJIHLMGRJCKQ-LSDHHAIUSA-N 300.431 2.801 0 40 DFAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cnn(C)c1 225888040 QPPONAZULNQVPJ-SECBINFHSA-N 320.190 2.774 0 40 DFAB CON(C)C(=O)c1[nH]c(Cl)c(Cl)c1Br 142342915 DSMYSMOXVATDCG-UHFFFAOYSA-N 301.955 2.717 0 40 DFAB O=C(c1ccccc1)N1CCN(c2ccncc2Cl)CC1 267325950 ZQAQDTBZXAFJHX-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@H](C(=N)O)[C@H](C)c1ccccc1 330625262 SSEOZIAFXLCRFR-SIJPQNPESA-N 304.390 2.624 0 40 DFAB COc1ccc(OCCCn2ccc3ccn(C)c3c2=O)cc1 97103809 ZJLORKTTYBXTQH-UHFFFAOYSA-N 312.369 2.818 0 40 DFAB C[C@@H](Cc1ccccc1F)NC(=O)NC[C@@H](O)c1ccsc1 96417670 JESPFHZSROPZRI-XHDPSFHLSA-N 322.405 2.851 0 40 DFAB Cc1cc(=O)c2sccc2n1Cc1nnc2n1CCCCC2 330108259 NJIXNRIHVLBLLW-UHFFFAOYSA-N 314.414 2.738 0 40 DFAB Cn1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c(C(C)(C)C)n1 331750356 FZYJTPLIOUITPC-UHFFFAOYSA-N 315.352 2.985 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)[C@@H]1CCOC1 95398578 QXECQLLLIDDEAD-SNVBAGLBSA-N 324.229 2.544 0 40 DFAB C[C@@H](C(=O)Nc1nnn[nH]1)c1ccc(-c2ccccc2)c(F)c1 95480926 VSKWATYURDQDHQ-SNVBAGLBSA-N 311.320 2.748 0 40 DFAB Cn1nccc1CNc1nc2ccccc2nc1N1CCCC1 91428177 LLPSHEYCBGGMSR-UHFFFAOYSA-N 308.389 2.576 0 40 DFAB C[C@H](NC[C@H](C)N1CCOC[C@@H]1C)c1nc2c(s1)CCCC2 91723990 RNMBBPDRBKNKPS-IHRRRGAJSA-N 323.506 2.782 0 40 DFAB CC(C)[C@H]1COC(=O)N1c1ccc(CC2CCNCC2)cn1 257275159 NODCXEYLSZVYNU-OAHLLOKOSA-N 303.406 2.605 0 40 DFAB C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H](C)c1nccn1C 341708717 QIFVVUIWGSMTBL-QWHCGFSZSA-N 301.390 2.821 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(Cc3cccc(C(=O)O)c3)C2)n1 257277395 NXUHYGMOUWCZDJ-MRXNPFEDSA-N 311.385 2.781 0 40 DFAB CC(C)c1nnc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 252498966 RRYAXMISTXMZIR-VIFPVBQESA-N 319.386 2.881 0 40 DFAB Cn1cc(CN2CCC3(CC2)OCCC[C@H]3O)c2ccccc21 257332614 XYANWFZUBQCMES-GOSISDBHSA-N 314.429 2.684 0 40 DFAB Cc1cc([C@@H]2CCCCN2C(=O)c2cccn2C)nc2nccn12 257314319 UWKBZHMCNYDYJE-HNNXBMFYSA-N 323.400 2.744 0 40 DFAB CO[C@]1(COc2cccc(C)c2)CCN(Cc2c[nH]nc2C)C1 585273346 CETLMUSHPYBJBQ-GOSISDBHSA-N 315.417 2.696 0 40 DFAB Cn1cc([C@@H]2CCCN(C(=O)/C=C/c3cccs3)C2)cn1 773122781 VEUCLZJTVDJPOY-KTRBRXNASA-N 301.415 2.901 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NC1CCN(C(C)C)CC1 52551017 GYZCPLQSYVMRFC-UHFFFAOYSA-N 313.445 2.939 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)N(C)Cc2nc(C)cs2)C12CCC2 84800764 UYUCKCYYKZBCAN-STQMWFEESA-N 323.462 2.941 0 40 DFAB C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1cnc2c(c1)ncn2C 97100930 LXXNOBVQINROQJ-BDJLRTHQSA-N 323.352 2.895 0 40 DFAB Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](O)C(C)C 84064764 MVHDSNMMOISUBL-JTQLQIEISA-N 310.444 2.927 0 40 DFAB O=C(Nc1ccc(F)c(Br)c1)N1CCC[C@@H]1CO 96435603 ANAPDCXJBGKIJS-SECBINFHSA-N 317.158 2.577 0 40 DFAB C[C@H](CNC(=O)Cc1cccc(Cl)c1)CC1(C)OCCO1 96437324 HKMNSKSDVAASPB-LBPRGKRZSA-N 311.809 2.788 0 40 DFAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc2c(c1)OCO2 354020 YONXLHMYTUOZLD-NTUHNPAUSA-N 311.268 2.899 0 40 DFAB CO[C@@H]1CN(C2CCN(C)CC2)CC[C@@H]1Cc1ccc(F)cc1 1615087449 UYTBUJFWIILOCS-VQIMIIECSA-N 320.452 2.799 0 40 DFAB Cn1ncc2c1ncn1c(-c3cc4ccccc4cc3O)nnc21 5245860 QIEIMAOMKLHTQL-UHFFFAOYSA-N 316.324 2.537 0 40 DFAB CCCCOCCCNc1c(C=O)c(=O)[nH]c2ccccc12 13997019 OBKDKNBIKJTKTL-UHFFFAOYSA-N 302.374 2.959 0 40 DFAB C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 169619971 AHBGVVDLUMLZGI-QTZVKNATSA-N 305.418 2.674 0 40 DFAB O=C(OCCC(F)(F)C(F)(F)Br)n1ccnc1 169805235 YHFDAHVUFWRWED-UHFFFAOYSA-N 319.052 2.881 0 40 DFAB Cc1noc(C)c1CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 156460524 PGPFVVKROWJDNC-CQSZACIVSA-N 323.437 2.823 0 40 DFAB CCCCN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 5552463 XYVJEEORQWAUIW-QXMHVHEDSA-N 302.355 2.845 0 40 DFAB Cc1cnccc1OCC1CCN(C(=O)[C@H]2CCCCO2)CC1 1889108065 WUEPSPMXXFGERB-QGZVFWFLSA-N 318.417 2.577 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@H]1CCc1ccncc1 2037670934 ZFALFKHXUVKHAN-HNNXBMFYSA-N 311.385 2.723 0 40 DFAB COc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 20274719 IAAYSTZLTSVITE-UHFFFAOYSA-N 310.397 2.653 0 40 DFAB CC(C)Oc1cccc([C@H](C)NC(=O)CN2CCSC2=O)c1 40529509 RFFHYZFBCJNJQT-LBPRGKRZSA-N 322.430 2.820 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc(F)cc2)CC1 51182476 FSAOBAYSHBCUKW-GFCCVEGCSA-N 316.380 2.969 0 40 DFAB CC(C)COC(=O)N1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 101401666 DLUKGIHCOQOYID-GJZGRUSLSA-N 322.449 2.750 0 40 DFAB C[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(S(C)(=O)=O)cc1 101652648 HGPGVGQDMHMDOF-VRKREXBASA-N 305.443 2.953 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)NC(=O)N1C 350474 DQMNPGXEWNWTMM-AWEZNQCLSA-N 306.337 2.747 0 40 DFAB CN(C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O 2122 LCAAMXMULMCKLJ-UHFFFAOYSA-N 307.397 2.549 0 40 DFAB in-man Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 188637 MZUOHTIFZLTPBQ-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 244505 FFHDASNWZPGFTB-GFCCVEGCSA-N 308.337 2.618 0 40 DFAB Cc1cccc(C)c1NC(=O)Cn1c(C)nc2ccccc2c1=O 416084 MMMLUJOPKMBOGT-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc3cccnc23)C1 1100853 XDGFNMSJWRZXAD-STQMWFEESA-N 304.415 2.901 0 40 DFAB CCOc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC(C)C 1343369 DHTXEEDYVAVFII-AWEZNQCLSA-N 319.405 2.606 0 40 DFAB O=C(NCc1ccccn1)c1c(F)c(F)c(F)c(F)c1F 2081531 TYSSSEJLOBBHST-UHFFFAOYSA-N 302.202 2.707 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(O)cc1 3317810 BUVGKJSGTJMDAN-UHFFFAOYSA-N 311.337 2.528 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccccc1F 3413960 IBDZBXRAVWTQKI-AWEZNQCLSA-N 315.344 2.667 0 40 DFAB COCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl 3450779 HVSZLMKHPYGPJW-UHFFFAOYSA-N 312.580 2.788 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 3457910 ROWQVOBMKROICG-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1 5557859 HKUKXUGKWXXGLE-UHFFFAOYSA-N 308.809 2.909 0 40 DFAB CCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 6756495 KWJRGOOGAIXCIV-UHFFFAOYSA-N 302.296 2.950 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccncc1 7059253 WBPMQOMVSAYFTI-GFCCVEGCSA-N 302.399 2.610 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCCCCCC1 7074936 NMMBYTCHUWFBBE-UHFFFAOYSA-N 307.438 2.855 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCCCC2)c1C 7378302 KRDGFDUQEFPVAI-CYBMUJFWSA-N 306.406 2.865 0 40 DFAB O=C(Cn1cnc2sccc2c1=O)c1ccc(Cl)cc1 7495007 XOLQVNCQTRVUNR-UHFFFAOYSA-N 304.758 2.994 0 40 DFAB C[C@@H](CC(=O)Nc1ccc(Br)cc1)n1cncn1 7616324 FGIPRSWNDSGPSU-VIFPVBQESA-N 309.167 2.630 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C1 8246480 JFLABDBFTABURG-OKILXGFUSA-N 318.417 2.636 0 40 DFAB CCOc1ccc(C(C)=O)cc1COc1ccc(C(N)=O)cc1 8939226 FQHZKGYKTLJFHG-UHFFFAOYSA-N 313.353 2.966 0 40 DFAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1 8985153 GDANBYQCZLCVMG-ZDUSSCGKSA-N 319.430 2.663 0 40 DFAB COc1nn(C)cc1C(=O)Nc1ccc(Cl)cc1Cl 9069886 ANYGYYMNZGULII-UHFFFAOYSA-N 300.145 2.988 0 40 DFAB C[C@H](NC(=O)C1=COCCO1)c1ccccc1Br 9500838 WQVPZAAYKCZINF-VIFPVBQESA-N 312.163 2.515 0 40 DFAB CCOC(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1 10101143 ATRGNCQHMNYGHJ-LLVKDONJSA-N 320.370 2.591 0 40 DFAB C[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1cccnc1Cl 11571764 CLJXSGGDTHZDGB-SSDOTTSWSA-N 323.809 2.850 0 40 DFAB CCN(Cc1ccncc1)C(=O)c1cc(=O)c2ccccc2o1 12651619 AQKPNAZOOOTGRU-UHFFFAOYSA-N 308.337 2.850 0 40 DFAB COc1cc(NC(=O)Cc2cn3ccccc3n2)cc(OC)c1 12742788 JMHCJCGHGOPYQL-UHFFFAOYSA-N 311.341 2.533 0 40 DFAB Cc1ccc2c(CC(=O)NCCN3CCCC3)coc2c1C 12976572 SBCRGDUMVDAAPN-UHFFFAOYSA-N 300.402 2.804 0 40 DFAB CC(C)CC[C@H](C)NC(=O)Cc1csc(NC(=O)C2CC2)n1 12986206 LUBBEWXDCARHPZ-NSHDSACASA-N 323.462 2.975 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1 13224548 DBTHIPVYFBFWKX-CQSZACIVSA-N 305.280 2.911 0 40 DFAB CCc1nn2c(=O)cc(COc3cc(C)cc(C)c3)nc2s1 13367672 FINIPTFEAJAPFD-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB COCc1cc(N2C[C@H](C)O[C@H](C)C2)nc(-c2ccccc2)n1 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CC(C)c1nnc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)s1 25323512 OEKGEMSIAYUVPC-ZACCUICWSA-N 307.419 2.995 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccccc3CC)nc2s1 30493026 JBDVOVFQYRCXKJ-UHFFFAOYSA-N 314.414 2.888 0 40 DFAB Cc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 31737521 WFPGGPMHMLWINW-GFCCVEGCSA-N 310.353 2.817 0 40 DFAB COc1ccc(Cl)cc1CC(=O)NCCc1ccccn1 32657028 WFFWTUJMWDGQGI-UHFFFAOYSA-N 304.777 2.645 0 40 DFAB CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(OC)c(F)c1 32851016 WEPPOBBGWSPFTC-UHFFFAOYSA-N 316.376 2.955 0 40 DFAB O=C(Nc1nccs1)[C@H]1CCCCN1C(=O)c1cccs1 32905809 VVGPLIRBSRHTKE-SNVBAGLBSA-N 321.427 2.838 0 40 DFAB Cc1ccc(C)c(OC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1C 32963796 SOEXTZURWLXAGY-GUYCJALGSA-N 319.426 2.971 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(CCC(C)C)C2)cc1 34918466 UHVNJDSSDPRUHN-ZDUSSCGKSA-N 304.390 2.528 0 40 DFAB C[C@@H](C(=O)Nc1ccncc1)n1nc(-c2ccccc2)ccc1=O 38670918 KCXRZWZJJMNOMQ-ZDUSSCGKSA-N 320.352 2.505 0 40 DFAB Cc1cc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)no1 38753294 CNTKFANCORTNFS-UHFFFAOYSA-N 301.277 2.707 0 40 DFAB CC(C)c1cc(C(=O)NCCCN2CCc3ccccc32)n[nH]1 40153771 ZSPTUKNEZPJNGT-UHFFFAOYSA-N 312.417 2.716 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)no2)c(OC)c1 40473850 DAPJJIQIDSXXLG-AWEZNQCLSA-N 316.357 2.978 0 40 DFAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)NCc1cccs1 40497450 HKPFGMAHKTXZBY-UHFFFAOYSA-N 322.773 2.626 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1 40761617 OITGSFARCKTMSE-UHFFFAOYSA-N 320.352 2.925 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 41091195 JFHFFFBZXGJCAW-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB O=C(NC[C@H]1CCOC1)c1occc1COc1ccccc1 41370076 FLPJWWQISCFMBF-CYBMUJFWSA-N 301.342 2.625 0 40 DFAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 44940082 ZFVJKGMNPQQXMW-TZMCWYRMSA-N 305.374 2.594 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1 45174554 XJZSHJNZGSKVLV-CQSZACIVSA-N 321.380 2.582 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@H]2CCCC[C@@H]21 46494051 GQSUAXVNRWWONY-GJZGRUSLSA-N 317.385 2.518 0 40 DFAB CC(C)CN1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 47412888 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CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 71842136 ISNCRKZJXFRWCS-GXTWGEPZSA-N 309.431 2.789 0 40 DFAB Cc1cccc(C[S@](=O)[C@@H](C)C(=O)NCc2ccccc2)c1 71858871 VJZDHDTVJCWUIP-OYHNWAKOSA-N 315.438 2.949 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@@H]1[C@@H]1CCCN1C(C)=O 71880421 LPEIQZJBGWUVHE-SJORKVTESA-N 320.408 2.810 0 40 DFAB CC(C)(C)C1CCC(C(=O)NC[C@H](O)C2CCOCC2)CC1 71915018 LDTHTAWTYGWLDS-GPANFISMSA-N 311.466 2.743 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238212 FSBRAVFWDVQKLH-NVXWUHKLSA-N 302.418 2.773 0 40 DFAB O=C(CCc1ccccn1)N1CCC[C@H](c2nccs2)C1 72273452 LMBVNNBNNQYNJM-ZDUSSCGKSA-N 301.415 2.877 0 40 DFAB CS(=O)(=O)N1CCC[C@H](c2ccc(-c3ccccc3)cn2)C1 72365094 AXIYVOYURUPWMD-INIZCTEOSA-N 316.426 2.888 0 40 DFAB O=C(CCC1CCCC1)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 72406006 DZBMFKFCZJVXAU-UHFFFAOYSA-N 314.389 2.602 0 40 DFAB Fc1ccccc1-c1cc(N[C@H]2CCCNC2)n2nccc2n1 72440384 VQGOXEUDYODPPV-LBPRGKRZSA-N 311.364 2.699 0 40 DFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1c(O)cc(F)cc1F 75180278 VNVBUEVPAJFWQR-UHFFFAOYSA-N 323.299 2.540 0 40 DFAB Cc1ncoc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 76094757 TXIYZQTXPLFECC-OAHLLOKOSA-N 300.358 2.569 0 40 DFAB CCc1ccc(-c2ccc(C(=O)N3CCCS3(=O)=O)o2)cc1 76823565 WLFDUUXIJNDPSU-UHFFFAOYSA-N 319.382 2.685 0 40 DFAB COc1cccc(CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)c1 78894392 HQOCVLCPBBTTCF-HNNXBMFYSA-N 316.405 2.510 0 40 DFAB CC(C)CNc1nc(C(=O)NCCc2ccccn2)cs1 79479487 PEMFGZIQEQAAGC-UHFFFAOYSA-N 304.419 2.579 0 40 DFAB COc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1ccsc1 80891719 TVKNZPNEIDOKRJ-OZSKJFCKSA-N 317.410 2.794 0 40 DFAB Cc1cnc([C@@H](Nc2ccc3nnc(C)n3n2)C2CC2)s1 84259498 DIPFDZMUVUDOIB-ZDUSSCGKSA-N 300.391 2.761 0 40 DFAB Cc1nc(Cl)cc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 84271800 HXGZQTRKAGWLNV-CQSZACIVSA-N 324.856 2.520 0 40 DFAB CC[C@H](NC(=O)N[C@H]1CCc2c(F)cccc21)c1noc(C)n1 84734863 UGJHLYRPFBAYOI-KBPBESRZSA-N 318.352 2.955 0 40 DFAB Cc1nnc([C@H](C)Nc2ccc(CN3CCOC3=O)cc2)o1 89736242 ADONTLHVQSILEH-JTQLQIEISA-N 302.334 2.503 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(Cl)c2cccnc12 89938484 LWMNUIUZFIDEHE-LLVKDONJSA-N 303.793 2.664 0 40 DFAB O=C(Nc1ccc(COc2ccccc2)cc1)N1CC[C@@H](O)C1 91203660 SZHGUIVOSXLZLA-MRXNPFEDSA-N 312.369 2.864 0 40 DFAB CC(C)(C)n1ncc2c(=O)[nH]c(NC[C@H]3Cc4ccccc43)nc21 91454880 LFMMQCCAZQWFJJ-GFCCVEGCSA-N 323.400 2.626 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 93809007 WOVXDSBRFIGFFW-MRXNPFEDSA-N 309.413 2.836 0 40 DFAB Cc1nc(N(C)CC[C@H](O)c2ccccc2)c2cccnc2n1 95365254 APXHIGYYASBOGJ-INIZCTEOSA-N 308.385 2.893 0 40 DFAB c1ccc([C@@H](CNc2ccnc(C3CC3)n2)N2CCOCC2)cc1 95394650 DKHJHBGFXMPINO-QGZVFWFLSA-N 324.428 2.839 0 40 DFAB O=C(Nc1cccc(OCCN2CCCC2)c1)[C@H]1CCCS1 95404237 FFFVFMCLKWJMIW-MRXNPFEDSA-N 320.458 2.995 0 40 DFAB C[C@H](NCCCCn1ccccc1=O)c1ccc2c(c1)OCO2 95421254 ZTDJCDBHQGMXGP-AWEZNQCLSA-N 314.385 2.708 0 40 DFAB Cn1c(NCc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc21 95445188 KVLDIRMTHWWUPY-UHFFFAOYSA-N 314.776 2.938 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)c1c[nH]nc1-c1ccccc1 95949119 VRCKUJDRLIVZSH-UHFFFAOYSA-N 310.357 2.954 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccnc(-n2ccnc2)c1 95956208 ADTGJYADDOBHRE-HZPDHXFCSA-N 322.343 2.692 0 40 DFAB Cc1ccc(OCC(=O)Nc2c(C)cccc2Cl)c(CO)n1 95975429 SHDXIXGTJCEZNU-UHFFFAOYSA-N 320.776 2.862 0 40 DFAB O=C(Cn1ccnn1)NCC1(C2CCCCC2)CCCCC1 95980275 DJKSHAQFBNZHQX-UHFFFAOYSA-N 304.438 2.925 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccccn3)CC2)CN1C(C)C 96051761 FVPBGHZGZPHIDJ-SFHVURJKSA-N 317.477 2.793 0 40 DFAB CCc1cc(N[C@@H](C)[C@H](CO)SC)nc(-c2ccncc2)n1 96417326 NOUNULQQCVKHKM-FZMZJTMJSA-N 318.446 2.625 0 40 DFAB Cc1nnc2ccc(NCc3ccccc3OCC3CC3)nn12 96417336 VZZCCZWPCXMIHU-UHFFFAOYSA-N 309.373 2.834 0 40 DFAB CN(Cc1ccsc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96418762 WBXBQDCWZKNELX-CYBMUJFWSA-N 324.446 2.964 0 40 DFAB CCOC[C@@H]1CCCN(C(=O)c2cccnc2NC(C)C)C1 96436544 UAQLLVQXUZNKGH-CQSZACIVSA-N 305.422 2.791 0 40 DFAB CC[C@H](C)c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2F)on1 96437387 GSWLFIHFKKFNKQ-TVQRCGJNSA-N 324.327 2.930 0 40 DFAB O=C(CNC(=O)c1ccsc1)N[C@@H]1C[C@H]1C1CCCCC1 96440860 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COc1ccc(-c2c(C)nn3c(=O)c4c([nH]c23)CCCC4=O)cc1 105331152 QKWKJFCKMRFLOM-UHFFFAOYSA-N 323.352 2.526 0 40 DFAB Cc1ccc(CN2CC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 107226650 SLTHEGUMKPSSKK-ZBFHGGJFSA-N 303.431 2.859 0 40 DFAB Cc1ccsc1C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721062 JOXCGWXUIBWBRB-SOUVJXGZSA-N 321.442 2.855 0 40 DFAB CC1(C)C[C@H](NCc2nnc(C3CC3)n2C2CC2)C(C)(C)O1 119934989 OAUWTWBBFKYZFK-ZDUSSCGKSA-N 304.438 2.926 0 40 DFAB COCCC(=O)N1CCC(NC[C@@H]2C(C)=CCC[C@@H]2C)CC1 152629745 FBEBSJJPIZGNMH-DOTOQJQBSA-N 308.466 2.596 0 40 DFAB CN(C)c1ccnc(CNC(=O)Nc2ccc(F)c(Cl)c2)n1 206723124 LDMIUSUMZVSYSP-UHFFFAOYSA-N 323.759 2.657 0 40 DFAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1 225885603 KUZPWFJRJBWCEJ-MRXNPFEDSA-N 310.394 2.641 0 40 DFAB Cc1ccnc(NC(=O)COc2nn(-c3ccccc3)cc2C)c1 227116681 VFVATTFPDIGJKD-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB Cc1cnc(NC(=O)c2ccc(OC3CCOCC3)nc2)s1 240178580 ZAZQRHFSVWESAJ-UHFFFAOYSA-N 319.386 2.657 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 246095416 KGVZGESIEBHYDX-SDNTUTLCSA-N 303.402 2.623 0 40 DFAB COC(=O)[C@@H](Sc1nccn2ccnc12)c1ccsc1 252480038 BSNYTASEAJLAHH-JTQLQIEISA-N 305.384 2.797 0 40 DFAB Cc1cc(N)cc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257290456 QDALUEBKYJXOQO-LKGOPFMKSA-N 323.396 2.586 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCC[C@H](C)C2)nc1 260692642 VGBCMJPENMTKQC-ZDUSSCGKSA-N 322.478 2.641 0 40 DFAB Nc1ncnc(NCc2cccc(Cn3ccnc3)c2)c1Cl 302808821 XXQWXLWWMWSZBR-UHFFFAOYSA-N 314.780 2.569 0 40 DFAB C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(CC(=N)O)[C@H](C)c2ccccc2)O1 330389351 XYKGRZGVVZGXSV-JXFSHQFZSA-N 304.390 2.925 0 40 DFAB CCOC(=O)c1nn([C@H](C)CC)cc1I 408716953 TVUVHAWPKGQDNL-SSDOTTSWSA-N 322.146 2.635 0 40 DFAB C[C@H]1CCC[C@H](C)C1NC(=O)c1ccnc(NC(=O)C2CC2)c1 552023569 QUYQVIASHCHGOS-RYUDHWBXSA-N 315.417 2.985 0 40 DFAB O=C(N[C@@H]1C=CCCC1)N1CCC2(C1)Oc1ccccc1O2 572036704 AAGHEJSDPGHNMC-CYBMUJFWSA-N 300.358 2.678 0 40 DFAB O=C(NCc1nccnc1-c1cccs1)c1ccncc1F 575620923 RQFAQZLMQGKNNK-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB CCC(CC)N1CCOC[C@@](O)(COc2cccc(C)c2)C1 585276195 NAHCVQJIPIBXGU-GOSISDBHSA-N 307.434 2.626 0 40 DFAB O[C@H]1CCN(Cc2cscn2)CC[C@@H]1Oc1cccc(F)c1 643913772 GNYQYWJEBTYRSJ-HOTGVXAUSA-N 322.405 2.687 0 40 DFAB c1csc(-n2cc(CNc3cc(C4CCC4)ncn3)nn2)c1 1775974131 LIVJQUHBXDPSKA-UHFFFAOYSA-N 312.402 2.998 0 40 DFAB Cc1ocnc1CN1CCC(N(C)c2ncc(Cl)cn2)CC1 1889083377 XDCOYORYCGAQOS-UHFFFAOYSA-N 321.812 2.527 0 40 DFAB c1nc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)c2ccsc2n1 1889102691 RYLXQYUVUUXJQY-RYUDHWBXSA-N 300.431 2.612 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCc2nc3ncccc3cc2C1 1890239958 ASRLZSLGRYYSIN-UHFFFAOYSA-N 320.352 2.694 0 40 DFAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccco3)C2)cc1 535373 NFRASJJYIYVDEC-CQSZACIVSA-N 304.371 2.699 0 40 DFAB CC[C@@H](CO)NC[C@H](O)Cn1c2ccccc2c2ccccc21 572314 JOFWMVWLYRLQSC-GJZGRUSLSA-N 312.413 2.516 0 40 DFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C(C)(C)C)C1=O 8891647 KQEPIYHZISECDP-KRWDZBQOSA-N 320.364 2.598 0 40 DFAB CS[C@H](C)C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76060389 GOONBFLHEBTBKB-RKDXNWHRSA-N 321.368 2.886 0 40 DFAB COc1ccc([C@@H](C)NC(=O)CCCc2nc(C)no2)cc1F 41687560 MCSUENBFYBUGFV-SNVBAGLBSA-N 321.352 2.726 0 40 DFAB C[C@H]1SCCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)[C@@H]1C 78135737 SEYGWPVQIFURQL-NXEZZACHSA-N 320.389 2.633 0 40 DFAB CC(C)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[C@H]1CCCCO1 79102033 XEQFFVACMXQCFG-JKSUJKDBSA-N 321.392 2.841 0 40 DFAB CC1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 22357260 HSLPLEOIEUNMME-ZDUSSCGKSA-N 312.421 2.990 0 40 DFAB CCOC(=O)[C@@H]1CCCN(c2nc(C)cc(C(F)(F)F)n2)C1 12396840 ULOYIHLOMFOXMC-SNVBAGLBSA-N 317.311 2.583 0 40 DFAB C=COCCNC(=S)Nc1ccc(Br)cc1 4893083 DOPZXGOIOLKNLY-UHFFFAOYSA-N 301.209 2.896 0 40 DFAB CCCCc1nnc2sc(NC(=O)c3cccs3)nn12 6818071 SCHQUUVOKKGTPU-UHFFFAOYSA-N 307.404 2.842 0 40 DFAB CCCN1CC[C@@H](CNC(=O)N[C@@H]2CCOc3ccccc32)C1 54510383 BWAOXLKDYTZITL-GOEBONIOSA-N 317.433 2.541 0 40 DFAB Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)[nH]1)C(=O)N2C 9137446 LORGWOGUTKAKKE-UVTDQMKNSA-N 317.348 2.749 0 40 DFAB biogenic O=C(Nc1ccccc1N1CCOCC1)c1ccc(F)cc1 3116951 MAETXSUFCVXLLZ-UHFFFAOYSA-N 300.333 2.915 0 40 DFAB O=C(CSCCc1ccccc1)NCc1nc(C2CC2)no1 55706628 AFZJAWNAWINGAF-UHFFFAOYSA-N 317.414 2.539 0 40 DFAB CC(C)c1cc(C(=O)OCc2cnn(C)c2)nn1C(C)(C)C 56229562 TUOVMVUMBVVLGT-UHFFFAOYSA-N 304.394 2.852 0 40 DFAB COc1ccc(OC)c([C@H](C)N[C@H](C(N)=O)c2ccccc2)c1 26221563 RRUBTDMYXBFCHL-SJCJKPOMSA-N 314.385 2.581 0 40 DFAB CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Br)o1 44287152 MROJORMEQNMUMY-DTWKUNHWSA-N 302.168 2.682 0 40 DFAB Cc1cc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)no1 26786589 BYAAZYCYYPNEFH-UHFFFAOYSA-N 311.345 2.741 0 40 DFAB CC(C)(C)C(=O)Nc1nc2ccc(-n3cnnc3)cc2s1 57340552 IUODYCSMDRVIJO-UHFFFAOYSA-N 301.375 2.862 0 40 DFAB CCCc1noc([C@H](C)N2CCN(c3ccccc3)CC2)n1 44583670 QPSKXKDEWHJUPO-AWEZNQCLSA-N 300.406 2.905 0 40 DFAB COCCCCC(=O)NC[C@@H](c1ccccc1Cl)N(C)C 58162714 IWVUVWCJSNWAOS-HNNXBMFYSA-N 312.841 2.876 0 40 DFAB Cc1csc(CN2CCN(C(=O)c3ccccc3C)CC2)n1 21687132 URHNZNUJGISXLT-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB COC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 58249662 NUGDYUHLGDVFGB-HNNXBMFYSA-N 308.353 2.529 0 40 DFAB CC(C)C[C@@H](C)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 44908553 JFUBUHMJTWWERN-GFCCVEGCSA-N 323.462 2.705 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N(C[C@H]1CCOC1)C1CC1 44941243 MVUYNPOBVMFWQS-LLVKDONJSA-N 302.330 2.576 0 40 DFAB CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C)nc2)c1 58335185 UWEZCAMORXBHKM-UHFFFAOYSA-N 311.385 2.629 0 40 DFAB Cc1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)[nH]n1 58325276 DUZZRGNEXACQHI-UHFFFAOYSA-N 309.373 2.832 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)C1 27973199 PZOZXLMBTWFYBJ-AXQFOSQISA-N 312.479 2.522 0 40 DFAB CCN(c1ccc(C(=O)NCc2ccnc(C)n2)cc1)C(C)C 58401856 QQSMFQZZOMEKQM-UHFFFAOYSA-N 312.417 2.950 0 40 DFAB c1ccc(N[C@@H]2CCN(c3cc(-n4cccn4)ccn3)C2)cc1 84553369 FQEUAKBGUWAWOR-MRXNPFEDSA-N 305.385 2.958 0 40 DFAB Cc1ccc(N2CCC(c3nc(-c4cnccn4)no3)CC2)nc1 84508224 WRFCIHHCVDZUMV-UHFFFAOYSA-N 322.372 2.614 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(Cl)cn1 3369392 WHFGPKYHUFEOGC-UHFFFAOYSA-N 322.723 2.599 0 40 DFAB c1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1 3407335 VLHXRYVJTGASCS-UHFFFAOYSA-N 306.285 2.505 0 40 DFAB COc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1 3447466 YTAQLBJQTSXIBE-SNVBAGLBSA-N 323.399 2.698 0 40 DFAB C[C@@H]1C[C@H](NC(=O)c2cccc3c2OCC(=O)N3)c2ccccc21 95350986 KNSWAVYZKUBBJN-BZNIZROVSA-N 322.364 2.996 0 40 DFAB CCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 12950086 JUNXNGUDSSZGEE-UHFFFAOYSA-N 313.195 2.564 0 40 DFAB CN(CCc1ccccc1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 83861083 KFBMCWWPYHBLEM-GOSISDBHSA-N 323.440 2.999 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)c1 71185993 PUIIWYJHKQQIPJ-OAHLLOKOSA-N 316.405 2.593 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2ccccc2n1 6083356 VBDHSLKAIKYJPR-UHFFFAOYSA-N 313.401 2.612 0 40 DFAB CCN1CCn2c(nc3cc(NC(=O)CC(C)C)ccc32)C1 13721521 UBSCWZNWKXPILX-UHFFFAOYSA-N 300.406 2.856 0 40 DFAB COc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1OC 5156858 FODZKHVLUGSTLW-UHFFFAOYSA-N 319.430 2.579 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccncc1 65562552 PPEYTJHBRNPLBS-HZMBPMFUSA-N 313.332 2.524 0 40 DFAB O=C(NCCc1cc(Br)ccc1F)N1CCC1 65698586 WXTQKDKFTBEDDS-UHFFFAOYSA-N 301.159 2.546 0 40 DFAB COc1ccc([C@@H]2CCCN2c2ncnc3c2cnn3C)cc1 14219093 OUURASLOQHWMSQ-HNNXBMFYSA-N 309.373 2.713 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cnccn1 5559971 PGEGHTUGVNGZGM-VNHYZAJKSA-N 320.389 2.637 0 40 DFAB COc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1OC 9219853 KKFHXRPQJMALKI-UHFFFAOYSA-N 311.341 2.510 0 40 DFAB O=C(COCC(=O)N1CCCCCC1)Nc1ccc(Cl)cc1 4700505 BWXGUWNSBBVSNA-UHFFFAOYSA-N 324.808 2.698 0 40 DFAB CCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)sc1C 7118398 IHWOAUSFBXZGQP-UHFFFAOYSA-N 304.415 2.854 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(C2CCCC2)C1 7471922 VAMMYKQWGLNKJR-HNNXBMFYSA-N 312.413 2.905 0 40 DFAB COc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1F 7599020 DGOIJVLNDZEENE-UHFFFAOYSA-N 317.316 2.654 0 40 DFAB Cc1cnc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cn1 7536788 ZKQUMIHRAKMCTC-UHFFFAOYSA-N 314.385 2.727 0 40 DFAB COC(=O)c1sccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 68248418 NEJGFGXKVYPSBC-UHFFFAOYSA-N 320.370 2.935 0 40 DFAB Cc1ccn2ncc(C(=O)N3CC[C@@H](c4ccccc4C)C3)c2n1 68675794 VPWQYOHUJWSVNZ-OAHLLOKOSA-N 320.396 2.976 0 40 DFAB COc1cccc(CN2CCCC[C@H]2Cn2nc(C)nc2C)c1 69624213 GHGNPMMQIGTMQP-KRWDZBQOSA-N 314.433 2.958 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 17918607 KGLUMEPCHAVYQF-PHIMTYICSA-N 306.406 2.926 0 40 DFAB CN(CC(=O)N1CCC[C@H]1c1ccc[nH]1)C(=O)OC(C)(C)C 69896965 FXEKEOPMYDRRQG-ZDUSSCGKSA-N 307.394 2.545 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2n1 69917460 NRWPIHYEEAKONG-ZDUSSCGKSA-N 310.357 2.810 0 40 DFAB CCOCCCC(=O)Nc1cnc(-c2cccc(O)c2)nc1 69978389 GMCUXSYXGHVUSY-UHFFFAOYSA-N 301.346 2.604 0 40 DFAB CCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 8780330 GSCKKKNBMRZABL-UHFFFAOYSA-N 318.686 2.732 0 40 DFAB COc1ccccc1/C=C/CN[C@H]1CCN(C(C)=O)C[C@H]1C 84714703 UFJWGOHPDTYJLW-BKSCXVJVSA-N 302.418 2.555 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCC[C@H]1N 85366507 BRACCFOEWXXKKB-WCQYABFASA-N 311.223 2.535 0 40 DFAB O=C(Nc1ccccc1)[C@H](NCCCO)c1ccc(Cl)cc1 408734059 GVENBGDNTMEGQK-MRXNPFEDSA-N 318.804 2.992 0 40 DFAB CCS[C@H]1CC[C@H](NC(=O)N(C)C2CCC(CO)CC2)C1 95972233 GDOFWGGRLSKKBZ-SHWKFHJASA-N 314.495 2.853 0 40 DFAB COc1ccc(CCN[C@H](C)CC(=O)OC(C)(C)C)cc1OC 95996198 FDISZSOTIMXDDG-CYBMUJFWSA-N 323.433 2.956 0 40 DFAB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3ccsc3)C2)c1 95999623 WWNIHXKJLMJAOS-OAHLLOKOSA-N 319.430 2.958 0 40 DFAB O=C(c1cc2c(s1)CCCCCC2)N1CCOC[C@H]1CCO 95979847 LWVHKUDEIRFJBL-CQSZACIVSA-N 323.458 2.631 0 40 DFAB CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccncc1 95976568 QPZYIYADYQNDNK-HOTGVXAUSA-N 303.406 2.599 0 40 DFAB O=C(O)c1cc(Cl)c(F)cc1I 89061411 DAVNMVQPSJBHDX-UHFFFAOYSA-N 300.454 2.782 0 40 DFAB Nc1nc(Cn2c(=O)sc3ccccc32)nc2ccccc12 89866715 ZXVKWMRVVHJAKC-UHFFFAOYSA-N 308.366 2.637 0 40 DFAB CC[C@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@@H](C)O1 89948312 GYTANMXIKCBXFD-CJNGLKHVSA-N 313.401 2.944 0 40 DFAB COCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1C 35681879 AGCVXHLXAVILAU-UHFFFAOYSA-N 317.780 2.836 0 40 DFAB CCN1CCN(c2cc(C)c(C(=O)c3ccccc3)cn2)CC1 72223626 IQXIHMUDSOMGLM-UHFFFAOYSA-N 309.413 2.763 0 40 DFAB Cc1csc(CCNc2cnc(C3CCN(C)CC3)cn2)n1 72365559 MBDVFFJAEFCEIS-UHFFFAOYSA-N 317.462 2.705 0 40 DFAB COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1N 34688064 ZOHNVLFXBCDQFR-INIZCTEOSA-N 304.777 2.774 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1 72385182 ZRSFUWMXNMGPBY-HNNXBMFYSA-N 316.426 2.725 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)nn1 72203686 ONLSGHMXZYBRAI-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB CNC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224248907 GYJGHCSOPREFTG-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB Cc1cc(CN2CC[C@@H](C)S(=O)(=O)CC2)ccc1Cl 192049722 NSJJQGLHDZJLRN-GFCCVEGCSA-N 301.839 2.657 0 40 DFAB CCN(CC(=O)Nc1cccc(OC)c1)c1ncccc1F 225592866 YMUZGBJSJVFUNV-UHFFFAOYSA-N 303.337 2.694 0 40 DFAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)C1CCC1)C2 225487576 SBINRGXQUMBHOC-HNNXBMFYSA-N 314.385 2.853 0 40 DFAB biogenic,in-vitro CCn1nc(C)c(C(=O)NCC2CCc3ccccc3CC2)n1 529610175 NYGAAIWZPQWAGA-UHFFFAOYSA-N 312.417 2.531 0 40 DFAB O=C(c1ccc(-c2cccs2)cc1)N1CC(n2ccnn2)C1 225692372 ZRGFPMIHJHTEPA-UHFFFAOYSA-N 310.382 2.704 0 40 DFAB CO[C@@H]1CC[C@H]2OCCN(C(=O)N(C)c3ccc(F)cc3)[C@H]2C1 190804477 MBLFIJBSMKEQFA-OWCLPIDISA-N 322.380 2.650 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 97095235 MDZLIZJJVHHHJY-CYBMUJFWSA-N 321.808 2.923 0 40 DFAB C[C@@H](O)CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 192542498 PAMVWNIKZIXACE-RNCFNFMXSA-N 316.323 2.837 0 40 DFAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1ccc(C)o1 96197856 NEJDVQTZWAHEGY-QGZVFWFLSA-N 315.417 2.940 0 40 DFAB Cc1oncc1C(=O)NCC1CCN(Cc2ccccc2)CC1 96098342 CUWGEXXUMYUAQV-UHFFFAOYSA-N 313.401 2.625 0 40 DFAB Cn1cc(CN2CCC[C@]3(CCN(Cc4ccoc4)C3)C2)cn1 96046975 LBPJRXTWMYNCLZ-SFHVURJKSA-N 314.433 2.501 0 40 DFAB CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccccc1 96532175 PHSGKINSZDIYGQ-UHFFFAOYSA-N 307.400 2.667 0 40 DFAB Cc1cccc([C@H](C)CNC(=O)N(C)C[C@@H](O)C(F)(F)F)c1 96502867 SECRAJJBEAKQPF-DGCLKSJQSA-N 318.339 2.663 0 40 DFAB CCc1oc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)cc1C 583619862 QYPJLNSVBXNAAE-SKDRFNHKSA-N 304.312 2.645 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1cccc2c1OC(F)(F)O2 96171561 CWHUYVLAUGMQQK-UHFFFAOYSA-N 317.247 2.804 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)[C@@H](C)Oc1ccccc1 245287223 BNHXGSCBAXQZKF-QSJFSLAZSA-N 320.433 2.645 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CC[C@H]2NCCCC[C@@H]2C1 257213944 CJUOCKNRWSOMKF-NVXWUHKLSA-N 316.445 2.537 0 40 DFAB Cc1cc(C[C@H]2CCC[C@@H]3CN(c4cnccn4)C[C@@H]32)ncn1 257237156 HFJCZPLLVSZDSO-BFYDXBDKSA-N 309.417 2.670 0 40 DFAB COC(=O)COc1ccc2cc([C@@H](C)C(=O)OC)ccc2c1 148641217 GEKLVIMQMMGSNI-LLVKDONJSA-N 302.326 2.668 0 40 DFAB O=C(NC1CC2(CCN(C(=O)c3ccsc3)CC2)C1)C1CC1 585103346 BHVZXYVIHUMFTI-UHFFFAOYSA-N 318.442 2.659 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2cccc(Cl)c2O)cn1 72295582 OFTSZRHYLIZMEA-UHFFFAOYSA-N 315.782 2.624 0 40 DFAB CC(C)OCc1cccc(CN[C@@H](C(N)=O)c2ccccc2)c1 56171653 NCIFFYDBEURGII-GOSISDBHSA-N 312.413 2.928 0 40 DFAB Cc1nccn1CCCCNC(=O)N1CC[C@H]2CCCC[C@H]21 74533962 NEUADZVBPKGYFS-HZPDHXFCSA-N 304.438 2.946 0 40 DFAB Cc1nc(C2CCN(c3nnc(C(C)(C)C)s3)CC2)no1 95428478 KMFGDWQWSMJFBS-UHFFFAOYSA-N 307.423 2.911 0 40 DFAB CNc1snc(C)c1C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 76060101 YBTPMCQQZUUQPV-LLVKDONJSA-N 319.434 2.545 0 40 DFAB Cn1cc(CCC(=O)N[C@@H](CO)c2ccccc2)c2ccccc21 97047552 JBLMKVMUOOWSQP-SFHVURJKSA-N 322.408 2.961 0 40 DFAB Cc1cc(Oc2ccc(NC(=O)c3cnn(C)c3C)cc2)n[nH]1 89599238 FBBWSLILIPXHHB-UHFFFAOYSA-N 311.345 2.805 0 40 DFAB C[C@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc(N2CCCC2=O)cc1 90454019 RFDQCSOCODVMRC-XJKSGUPXSA-N 324.428 2.745 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CNc1ncnc2[nH]ncc12 12556920 WIMDMECEJMUZHB-UHFFFAOYSA-N 319.372 2.768 0 40 DFAB CC(C)C[C@H]1NC(=O)N(CCCOc2ccc(F)cc2)C1=O 17478864 VBJGUWOEIHAKSC-CQSZACIVSA-N 308.353 2.561 0 40 DFAB NCCCNc1ccc(Cc2ccc(NCCCN)cc2)cc1 207267473 IRQFDAFCKFAZMZ-UHFFFAOYSA-N 312.461 2.799 0 40 DFAB CCOC(=O)c1ccoc1COC(=O)c1ccc(C)c(O)c1 10980670 IFDKTNNJNPJOOI-UHFFFAOYSA-N 304.298 2.827 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(F)cc1)OCO2 515946 SHOMQFFIHGSAOR-UHFFFAOYSA-N 315.300 2.938 0 40 DFAB Cc1cc(N(C)Cc2ccc3c(c2)OCCO3)n2nc(C)cc2n1 1888906313 XUHJTNNBJQCFFU-UHFFFAOYSA-N 324.384 2.754 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(c3ccnc(C4CC4)n3)C2)nc1 1889091441 BXTQLQUQQVYRAU-HNNXBMFYSA-N 324.432 2.558 0 40 DFAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nccs1 14898399 PSUXPBTYNJBPLQ-NSHDSACASA-N 301.371 2.673 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 23624770 NQGVPNNEXKHJSL-AWEZNQCLSA-N 323.824 2.696 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)c1cc(Br)c[nH]1 30262981 HRMVVNQAMQRRFO-SECBINFHSA-N 308.179 2.796 0 40 DFAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3cscn3)C2)n1 2037684455 VFEJZKQDEMVZBF-CYBMUJFWSA-N 316.430 2.588 0 40 DFAB COC(=O)c1ccsc1NC(=O)c1ccc(N(C)C)cc1 4190539 WCKHRICVRQNLNX-UHFFFAOYSA-N 304.371 2.853 0 40 DFAB Cc1cccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 8924508 FFPYSGRWSBKKIN-OAHLLOKOSA-N 308.381 2.778 0 40 DFAB O=C(NCc1cc(C2CC2)ncn1)c1ccc(Br)o1 585361052 YBUWELSTNZXQHN-UHFFFAOYSA-N 322.162 2.640 0 40 DFAB Cc1cc(C)cc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)c1 9197888 JMNQTOSDQRHANX-OAHLLOKOSA-N 300.402 2.669 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)ccn1)c1ccc(C)cc1 10430604 TZIPERXOYPSOSJ-INIZCTEOSA-N 311.385 2.904 0 40 DFAB COc1ccccc1OCCNC(=O)c1ccc(C(C)=O)cc1 20310713 DLGKBPSKMNZPKN-UHFFFAOYSA-N 313.353 2.707 0 40 DFAB C[C@@H](Sc1ccccc1)C(=O)NCCNc1ccncc1 40555364 MZOCTQCVGVVDDV-CYBMUJFWSA-N 301.415 2.791 0 40 DFAB O=C(NCc1cccs1)Nc1cccc(N2CCNC2=O)c1 40540497 IVGFAKFCOVZKDZ-UHFFFAOYSA-N 316.386 2.599 0 40 DFAB COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c(OC)c1 20731892 SYXGFSBXBFDCLN-ZDUSSCGKSA-N 305.359 2.851 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32815673 DERFOEZPTCSKFG-MRVPVSSYSA-N 320.698 2.689 0 40 DFAB CS(=O)(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 52782459 IWOYMZQJEZLMBJ-KAMYHZANSA-N 313.422 2.833 0 40 DFAB Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 358641 PRLTVHJBXLOMMQ-UHFFFAOYSA-N 300.383 2.887 0 40 DFAB c1ccc(CN2CCC(c3nc(-c4cnccn4)no3)CC2)cc1 1502926 WGYCQGZRERARCP-UHFFFAOYSA-N 321.384 2.906 0 40 DFAB COc1ccc(C2=N[C@H](CO)[C@@H](c3ccccc3)O2)cc1OC 1629101 VVQQEIOHGUNKLA-RHSMWYFYSA-N 313.353 2.583 0 40 DFAB Cc1cc(Br)c(N)c(I)c1 2567805 LUXPIKBGANLYBL-UHFFFAOYSA-N 311.948 2.944 0 40 DFAB Cc1cc(OCC(=O)Nc2sccc2C(N)=O)ccc1Cl 2629009 RGXNKWAHCXHADE-UHFFFAOYSA-N 324.789 2.826 0 40 DFAB CN(C(=O)COc1ncnc2sccc12)C1CCCCC1 2725868 BXHCYRCPBCIUKU-UHFFFAOYSA-N 305.403 2.861 0 40 DFAB CN(Cc1ccnn1C)C(=O)c1cc(Br)cs1 2732657 MEJKAAVIKDNYTG-UHFFFAOYSA-N 314.208 2.516 0 40 DFAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 3204806 IPYXNQFKHRDMCT-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB Cc1ccc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1 3597992 AKSCVXIHZNIJKN-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB CCc1cccc(CC)c1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4392665 JOBAIIQCMDFGFA-LBPRGKRZSA-N 309.431 2.575 0 40 DFAB CCCC(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 5782082 BIGAQQDLVYPIFS-UHFFFAOYSA-N 315.373 2.771 0 40 DFAB Cn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1=O 6215476 IDXHSOLZXBASDO-UHFFFAOYSA-N 321.336 2.825 0 40 DFAB CCOc1ccc(S(=O)(=O)NC2CCCC2)cc1OCC 8055213 MAKJOVYYXAWWOY-UHFFFAOYSA-N 313.419 2.705 0 40 DFAB CCC(=O)Nc1cccc(NC(=S)NC(=O)C(C)(C)C)c1 9064126 XEXSXYZBCAUEJD-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB CC(C)NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 9191310 FEDRAEJDRVQAGW-UHFFFAOYSA-N 312.291 2.911 0 40 DFAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ncccn2)C1 9420799 BVPPVSUODHIOIW-INIZCTEOSA-N 314.433 2.700 0 40 DFAB Cc1ccc(-n2nc(CSc3nccn3C)cc2O)cc1 10157347 XYOGYIKMMWPZCJ-UHFFFAOYSA-N 300.387 2.912 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C 13135270 GYNCFDMIARBTKO-GFCCVEGCSA-N 313.195 2.548 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 14095865 XSQLMERXWIEIQQ-UHFFFAOYSA-N 322.364 2.912 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCCNc2ncnc3[nH]cnc23)C1 16758120 NXZZPJIANTUEQC-CHWSQXEVSA-N 302.426 2.523 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@@]1(C)O 17248108 NGTLYMQTTVSXRG-GVDBMIGSSA-N 302.349 2.501 0 40 DFAB Cc1nccn1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 19657094 OMMZPVFYUVNLAM-UHFFFAOYSA-N 308.385 2.648 0 40 DFAB C[C@H]1CN(C(C)(C)CNc2ncnc3sccc23)C[C@H](C)O1 22357644 HYGHHIGPBWKAJD-RYUDHWBXSA-N 320.462 2.991 0 40 DFAB C[C@H]1CCc2sc(C(=O)NCCCN3CCCC3=O)cc2C1 22625615 NAWPNFHQCYRNJF-LBPRGKRZSA-N 320.458 2.615 0 40 DFAB O=C(Oc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 24765703 XPTLLAFURGCVFG-UHFFFAOYSA-N 324.311 2.701 0 40 DFAB Cc1c([C@H](C)NC(=O)Cn2c(C)cc3ccccc32)cnn1C 25000696 MYHHMXKXXCWSKZ-ZDUSSCGKSA-N 310.401 2.869 0 40 DFAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cccnc3)cnc21 25392874 GAZGBORBBPOZBH-LBPRGKRZSA-N 309.373 2.898 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[nH]1 29388455 WSWQNRQVLWGXNQ-ZETCQYMHSA-N 316.308 2.943 0 40 DFAB O=C(Cc1cn2ccccc2n1)N[C@@H]1CCOc2ccccc21 32409855 AUGGWFXMFLUYOE-OAHLLOKOSA-N 307.353 2.517 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 32741198 SFKYZMFZLXVCIP-ZDUSSCGKSA-N 313.353 2.542 0 40 DFAB Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(C)c1 32777616 OGLSSCUREPWACL-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(F)cc1F 32814824 DAGTZUDVVLBAGM-SECBINFHSA-N 301.358 2.916 0 40 DFAB COC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 36358825 SUPNWOKBPVEYAI-VIFPVBQESA-N 307.346 2.846 0 40 DFAB c1ccc(CCN2CCN(Cc3cn4ccccc4n3)CC2)cc1 40018045 LCPCJCTXEONOEH-UHFFFAOYSA-N 320.440 2.695 0 40 DFAB C1=C(c2ccccc2)CCN(c2cncc(-n3cccn3)n2)C1 40153385 JYKYKRUZECLWRV-UHFFFAOYSA-N 303.369 2.956 0 40 DFAB CC[C@H](C)C(=O)NCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 40157359 AOTRRRWIJBINCZ-FUUWLHQZSA-N 320.477 2.870 0 40 DFAB COc1ccc2nc(C)c(C(=O)NCC[C@H]3CCCO3)cc2c1 40511984 KHBWQCQZNZVMOG-CQSZACIVSA-N 314.385 2.851 0 40 DFAB COCc1cccc(CNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 40536199 NPDKKVBVCUIJPM-SJPCQFCGSA-N 315.413 2.845 0 40 DFAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCSCC1 40542248 VZSPWUUCJGQIPZ-UHFFFAOYSA-N 313.426 2.939 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NOCc1ccccc1 43544551 ZZCFSTKSMXAFQD-CQSZACIVSA-N 320.389 2.634 0 40 DFAB CC(C)Oc1ccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)cc1 45239536 TVBIFYPECJYQIY-ZDUSSCGKSA-N 314.385 2.664 0 40 DFAB O[C@@H](CNc1ncccn1)COc1cccc(Cl)c1Cl 49057569 IGFZFTDZJOUGLE-VIFPVBQESA-N 314.172 2.635 0 40 DFAB COc1ccccc1OCc1nc(C)cc(SCC(=O)O)n1 49468945 UYCPMZGSVFKBEU-UHFFFAOYSA-N 320.370 2.549 0 40 DFAB COc1ccccc1NC(=S)Nc1ccc(N(C)C)nc1 55032151 YPONQCIWUWQAGN-UHFFFAOYSA-N 302.403 2.965 0 40 DFAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc[nH]n1 55742664 PWXJIKKONRILSW-UHFFFAOYSA-N 312.373 2.678 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)CSC1=NCCS1 58171646 UXSHTCSHTFSXKT-LBPRGKRZSA-N 308.472 2.960 0 40 DFAB O=C(Nc1ccc(Br)cn1)[C@@H]1Cc2ccccc2O1 58341769 NBDBWNHWRKOLGV-LBPRGKRZSA-N 319.158 2.786 0 40 DFAB C[C@@H]1CCCCN1CCCCNC(=O)c1cccc2[nH]ncc12 58431453 PRIVSHWMNMBETC-CQSZACIVSA-N 314.433 2.947 0 40 DFAB CN(C)[C@@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 62083119 HDZSLOFLYAXNER-QGZVFWFLSA-N 300.377 2.787 0 40 DFAB O=C(NCc1ccsc1)Nc1ccc(-n2cncn2)c(F)c1 62413650 JYKBOCXYBWDQRR-UHFFFAOYSA-N 317.349 2.790 0 40 DFAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc[nH]1 64521874 LTTMRWXFSJLZIE-ZDUSSCGKSA-N 303.431 2.718 0 40 DFAB Cc1cc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)on1 65475506 NOCHNUAPUZGEIZ-UHFFFAOYSA-N 315.295 2.894 0 40 DFAB CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1c(C)noc1C 65477162 VDGHFABRQPJZMA-HNNXBMFYSA-N 321.808 2.864 0 40 DFAB C[C@H](Cn1cccn1)N[C@H](C)c1nc(-c2cccs2)no1 69415985 MOOFGKOKZFVHBI-GHMZBOCLSA-N 303.391 2.734 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](n2cccn2)C1 69416264 HUZJCVQJEAQWMZ-GFCCVEGCSA-N 312.329 2.608 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(CC)C2)cc1 69485798 AERHIIBMHARSLT-HNNXBMFYSA-N 318.421 2.641 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1c(C)noc1C 69894953 BZQKWSNQWVSTNP-IRXDYDNUSA-N 319.449 2.699 0 40 DFAB Cc1cnn(CCNCc2cc(Cl)c3c(c2)OCCCO3)c1 69951389 KPXZETZGGDYOMK-UHFFFAOYSA-N 321.808 2.796 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)NC2CCCCC2)c1 71857145 UFSJYCMNMKMNPD-UHFFFAOYSA-N 319.405 2.656 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 71870315 JCTDJHGGDHPELF-OAHLLOKOSA-N 316.405 2.548 0 40 DFAB CCCc1cc(NC(=O)c2cc(NC(C)=O)ccc2F)n[nH]1 71896435 WQAADXOZXQSTKN-UHFFFAOYSA-N 304.325 2.712 0 40 DFAB COC(=O)[C@@H]1Oc2ccc(F)cc2-c2nc(SC)ncc21 72207122 OODQXDRJCVBXLJ-GFCCVEGCSA-N 306.318 2.611 0 40 DFAB COc1c([C@H]2CCCN2C(=O)c2ccoc2C)c(C)nn1C 72234284 VECDYCDENJCFGF-CYBMUJFWSA-N 303.362 2.616 0 40 DFAB O=C(NCC1CCCC1)[C@H]1CCC(=O)N1Cc1cccs1 72239697 POCGVDJJLWFPPK-CQSZACIVSA-N 306.431 2.546 0 40 DFAB CC[C@@H](C)CN(C)C(=O)NCc1ccc(OC)c(NC(C)=O)c1 72277848 XBXUIOQWSZAZBT-GFCCVEGCSA-N 321.421 2.841 0 40 DFAB O=C(O)CN1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384676 HUBVEKZDACBBMI-LLVKDONJSA-N 304.375 2.503 0 40 DFAB Cc1cncc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72385737 DMTAAGLSGQRTCY-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)[nH]1 75118437 TUFBOXHIYTVCPP-IINYFYTJSA-N 300.358 2.672 0 40 DFAB Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)c(=O)[nH]1 75119364 UWXHMMAIAIJASG-UHFFFAOYSA-N 302.296 2.534 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cccc(F)c1C 76082294 KCGZALILIUFDNC-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=C(CCCc1ccccn1)NC[C@H](O)c1c(F)cccc1F 77634789 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2.981 0 40 DFAB COc1ccc(-c2n[nH]c(SC[C@@H]3CCCO3)n2)c(OC)c1 66006019 HKAOXLSKWSUPPC-NSHDSACASA-N 321.402 2.760 0 40 DFAB Cc1nc2ccccc2c(=O)n1Cc1nc(-c2ccccc2)no1 9306610 FZVWKAFAGQIFIY-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB c1ccc([C@@H]2C[C@H](c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 6757000 JAGBPBVAZCOIJK-KGLIPLIRSA-N 321.340 2.548 0 40 DFAB Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)on1 66687431 YWHGWJANROMODX-AWEZNQCLSA-N 324.739 2.989 0 40 DFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1CCCN1CCOC1=O 68322607 KTVNKZKSGUNHTE-CYBMUJFWSA-N 313.401 2.929 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 68487899 KZUMFVBTSVZTJT-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB Cc1[nH]cnc1-c1nccn1C[C@H]1Cc2ccccc2CN1C 71736436 FFJMVTLRISBASV-MRXNPFEDSA-N 307.401 2.638 0 40 DFAB O=C(Nc1cccc2nsnc12)c1ccc(-n2cnnc2)cc1 16430904 ZIZCAFBGOSHMSI-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccnc1 71893072 LTOVEYYOOJRMKT-MAUKXSAKSA-N 309.413 2.923 0 40 DFAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@H](n2ccnc2)C1 69655347 NYEGOIAETBTSOO-KRWDZBQOSA-N 321.384 2.546 0 40 DFAB COc1ccc(CNC(=O)c2sccc2OC(F)F)cn1 69775854 YYXVZYNCLRHKAP-UHFFFAOYSA-N 314.313 2.683 0 40 DFAB Cc1cc(C)cc(NC(=O)N2CCC(C3OCCO3)CC2)c1 69780587 IHMUSNSMHBVQAI-UHFFFAOYSA-N 304.390 2.920 0 40 DFAB CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 71869355 WDAVNFVFHOYWEZ-VNHYZAJKSA-N 310.438 2.796 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCO[C@@H]2CCCC[C@@H]21 71821210 IZDWMJUXMGMNLE-DLBZAZTESA-N 310.397 2.947 0 40 DFAB Cc1ccc(CN2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1 69918436 SPIPAXKFBRSHOB-CQSZACIVSA-N 316.430 2.697 0 40 DFAB C[C@H]1CCN(C(=O)c2cccc[n+]2[O-])c2ccccc2S1 71819736 PKOWZHYKGYHPQK-LBPRGKRZSA-N 300.383 2.851 0 40 DFAB CCOCCCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 71908848 PPKAOECARLNNAY-UHFFFAOYSA-N 323.780 2.823 0 40 DFAB CCc1nc(COC(=O)c2ccnc(-n3ccnc3)c2)cs1 97164143 DQARDTTVCMCZDQ-UHFFFAOYSA-N 314.370 2.643 0 40 DFAB Cc1ccc(F)c(N2CCC(NC(=O)c3ccccn3)CC2)c1 97236566 HZLODRVNCKONSE-UHFFFAOYSA-N 313.376 2.928 0 40 DFAB CCn1cc(C(=O)Nc2nc3c(COC)cccc3s2)cn1 95397161 QXPOZFOFEGYKCW-UHFFFAOYSA-N 316.386 2.911 0 40 DFAB C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)[C@@H](C)CO 84640223 WWERARDCVAXZBU-QWRGUYRKSA-N 315.335 2.870 0 40 DFAB CN(C)C(=O)c1ccnc(NC(=O)C(F)(F)c2ccccc2)c1 95434836 PLFCXMLNUUSICY-UHFFFAOYSA-N 319.311 2.514 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@H](O)COc2ccccc2F)no1 74209593 AYMMBLHYQDQYEO-XJKSGUPXSA-N 320.364 2.699 0 40 DFAB CCOc1ccc(NC(=O)N2CC[C@@H]3CN(C)CC[C@@H]32)cc1 95996461 WUNNFHBTJSPBOI-CJNGLKHVSA-N 303.406 2.643 0 40 DFAB COCC(C)(C)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C 95991177 CNXPYKTYHIJCDV-LLVKDONJSA-N 306.385 2.790 0 40 DFAB COC[C@@H](C)NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 95987527 WXBNKCDSYDWBTF-GFCCVEGCSA-N 302.378 2.646 0 40 DFAB CC(C)C[C@@H](N[C@H]1CCCC1(C)C)C(=O)N1CCC(CO)CC1 95967890 BZLGXMCORLPLBF-SJORKVTESA-N 324.509 2.800 0 40 DFAB O=C1CN(C(=O)c2cccc(-c3ccoc3)c2)[C@H]2CCCC[C@H]2N1 89852016 VHJPZDGMDPQZBQ-SJORKVTESA-N 324.380 2.830 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)s1 75415746 JQDGCQRPWVUGJV-WPRPVWTQSA-N 308.325 2.976 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 76022960 TVNAKOGVKUNFTP-HOTGVXAUSA-N 318.417 2.520 0 40 DFAB Cc1nonc1CC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412787 DTYXZRBYKUMVLK-KJWYOANISA-N 311.385 2.619 0 40 DFAB Cc1cc(-c2cncnc2C2CCN(C(=O)C3CC3)CC2)on1 72334649 VXCPCHOIFUIQJI-UHFFFAOYSA-N 312.373 2.556 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NCC(=O)O 79410725 VSGWVWGHEYZAEB-STQMWFEESA-N 314.426 2.617 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CN)[C@@H]2c2cccc(F)c2)cc1 218630874 PSUGTCKXGIBADH-YESZJQIVSA-N 319.401 2.649 0 40 DFAB CC(=O)N1CCC(c2cccc(Nc3nnc(C)s3)n2)CC1 72376126 LYNDIGSEUPGHPX-UHFFFAOYSA-N 317.418 2.711 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)no1 40714781 HBIGTBDCRKRIGU-NSHDSACASA-N 304.350 2.509 0 40 DFAB COc1ccccc1OCc1ncc(C(=O)O)c(NC(C)C)n1 49469548 GEPYUNXCMHKOAB-UHFFFAOYSA-N 317.345 2.583 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)CCCc3ccccc32)no1 227168793 OAULHSSGLYMGPC-GFCCVEGCSA-N 313.357 2.680 0 40 DFAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC=CCC1 195531258 HPJAVGCADKZCQB-MSOLQXFVSA-N 314.429 2.502 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC 224845952 BYNKBLKWRSVVSZ-GFCCVEGCSA-N 310.825 2.993 0 40 DFAB CCOC1(C(=O)Nc2ccc(OCCOC)nc2C)CCCC1 225898540 WBDPEXXPVKMOMI-UHFFFAOYSA-N 322.405 2.703 0 40 DFAB COc1cc(N2CCCCCC2)nc(NC(=S)NC(C)C)n1 225887646 AXDJVQJHZWUOTD-UHFFFAOYSA-N 323.466 2.560 0 40 DFAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CC 225388025 HUHGHWNHWMBPLK-INIZCTEOSA-N 320.433 2.739 0 40 DFAB Cc1cc(S(=O)(=O)N[C@@H](C)COc2ccccc2)ccc1F 225609928 GLOQLGUINGIXGF-ZDUSSCGKSA-N 323.389 2.880 0 40 DFAB CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1nc2ccccc2o1 96485213 NEAZTOQFQGLKSH-OAHLLOKOSA-N 309.369 2.939 0 40 DFAB O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@H]1COCCO1 96408115 YSDGKLMAYZUTKX-HUUCEWRRSA-N 317.410 2.564 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 96479501 AQIULXDSOUNHNK-LSDHHAIUSA-N 301.386 2.820 0 40 DFAB O=C(COC[C@H]1CCCO1)Nc1cc(-c2ccccc2)ns1 96443132 QCRKIHBNNPQUPT-CYBMUJFWSA-N 318.398 2.944 0 40 DFAB CCc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 96193535 HFNPINLECQVWPR-UHFFFAOYSA-N 312.373 2.903 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCc2ccn(C)c2)o1 96503268 CYDOBJLORYNDGZ-OAHLLOKOSA-N 317.389 2.811 0 40 DFAB CCO[C@H]1CCCN(CCC(=O)Nc2cccc(OC)c2)C1 96435749 HKTPCJYHGNVWNE-INIZCTEOSA-N 306.406 2.525 0 40 DFAB CNc1snc(C)c1C(=O)N(C)CCc1ncc(C)s1 96484662 FLOBXFHDPNRYIY-UHFFFAOYSA-N 310.448 2.573 0 40 DFAB COc1ccc(CN2CCOC[C@H](Oc3ccccc3)C2)cc1 96113197 ZYOVSPYAUQMHJX-LJQANCHMSA-N 313.397 2.975 0 40 DFAB biogenic,in-vitro Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccc2)n1 96246030 ATXHVTCDHAUQOK-OALUTQOASA-N 321.424 2.765 0 40 DFAB c1ccc2nc(NC[C@@H]3COC4(CCOCC4)O3)ccc2c1 96494586 QDWIPPJZYYEBAF-CQSZACIVSA-N 300.358 2.569 0 40 DFAB O=C(Cc1cccs1)NCc1ccn(-c2ccc(F)cc2)n1 95451064 GMYNMTGFAQDTFB-UHFFFAOYSA-N 315.373 2.932 0 40 DFAB C[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccsc1 96499805 GEZCEXQNDBMROR-YCPHGPKFSA-N 321.490 2.977 0 40 DFAB COc1cccc([C@H](NC(=O)N2CCOCC2)C(C)(C)C)c1 95407399 IBNYRHVBIZUTBX-HNNXBMFYSA-N 306.406 2.824 0 40 DFAB Cc1cc(C(=O)N2CCOC[C@@H](CCN(C)C)[C@@H]2C)sc1C 248151682 XRLHTNBYYSDGQR-DZGCQCFKSA-N 324.490 2.794 0 40 DFAB O=C(CC[C@@H]1CCCO1)NCCc1c[nH]c2cc(F)ccc12 50766167 GXOGGXVFXGTMQB-AWEZNQCLSA-N 304.365 2.925 0 40 DFAB Cn1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1=O 390831861 VNDSHHFESPFRQC-UHFFFAOYSA-N 308.337 2.575 0 40 DFAB CSCC[C@@H](C(=O)NCCc1nc(C)cs1)n1cccc1 575443387 UHHVCVGVXSBQID-ZDUSSCGKSA-N 323.487 2.906 0 40 DFAB CC(=O)N1CC[C@H](NCc2ccncc2)[C@H](Cc2ccccc2)C1 585269537 YEYBFFKKXGQENI-UXHICEINSA-N 323.440 2.651 0 40 DFAB C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@@H](C)O1 31865426 ACTYIJWVKQVFRY-BETUJISGSA-N 316.426 2.988 0 40 DFAB COc1ccc(CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 95749133 UKWBPYBMEMCURC-CYBMUJFWSA-N 309.362 2.606 0 40 DFAB CC[C@@H](C(=O)NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1 97378229 NUCZNXDYQQUJKZ-OAHLLOKOSA-N 322.380 2.666 0 40 DFAB NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2 568711 XESSXANVPYXNNJ-VOTSOKGWSA-N 302.355 2.581 0 40 DFAB COc1ccccc1C[C@@H](C)NC(=O)c1cc(C2CC2)nn1C 12196727 JWRZNSJSBQETRG-GFCCVEGCSA-N 313.401 2.667 0 40 DFAB COc1ccc(NC(=O)COc2cc(C)ccc2C(=O)O)cc1 13084384 LHRGHGOATLMDNJ-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CCc1nn2c(=O)cc(COc3c(C)cccc3C)nc2s1 13367678 ULBAYAJEMFIWGN-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB Cc1cc(C)cc(OC[C@@H](C)NC(=O)CC2CCN(C)CC2)c1 19748341 ALYWCYXBPYQMAJ-MRXNPFEDSA-N 318.461 2.919 0 40 DFAB COc1ccc(-c2csc(NC(=O)/C(C)=C\C(=O)O)n2)cc1 4393820 CWMSPXHRNZJJEX-CLFYSBASSA-N 318.354 2.788 0 40 DFAB COc1cc(NC(=O)c2ccccc2)cc2sc(NN)nc12 226309732 MAKIAVGETGORSB-UHFFFAOYSA-N 314.370 2.843 0 40 DFAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)nc2)cc1 11610461 YAEXOKYAYZUJAN-NSHDSACASA-N 302.330 2.505 0 40 DFAB CC(C)n1nccc1NC(=O)c1ccc(N2CCCC2=O)cc1 22288191 LJDMMXLZSJKYGD-UHFFFAOYSA-N 312.373 2.843 0 40 DFAB CC(=O)c1ccc(NC(=O)c2n[nH]cc2Br)cc1 5900518 HQKOIJYYWWUWPF-UHFFFAOYSA-N 308.135 2.627 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Cl)s1 4263869 PIPQIFNHBHQVEK-UHFFFAOYSA-N 306.730 2.537 0 40 DFAB O=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccc(F)cc1 23125796 AIRFWEMWTSEPQW-UHFFFAOYSA-N 318.329 2.850 0 40 DFAB C[C@H]1CCc2c(sc3ncn(C4CCNCC4)c(=O)c23)C1 12145468 JXYKJRVCIGXKNS-JTQLQIEISA-N 303.431 2.507 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2C(=O)Nc3ccccc32)C1 100130889 KRXBVSHIOQCWIO-RISCZKNCSA-N 302.374 2.979 0 40 DFAB in-vitro CCCC(C)(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O 50497894 JJLHVHNZPPIJBI-UHFFFAOYSA-N 304.312 2.562 0 40 DFAB CCNC(=O)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789596 IJYCRXOCPUMKBW-QBPKDAKJSA-N 303.450 2.611 0 40 DFAB biogenic NCCCC(=O)Nc1ccc(NCc2ccccc2F)nc1 31961087 VXGZEWIPGWHANP-UHFFFAOYSA-N 302.353 2.510 0 40 DFAB O=c1c2oc3ccccc3c2[nH]c(=S)n1C[C@@H]1CCCO1 101271833 KEQVZIVGCYGDIA-VIFPVBQESA-N 302.355 2.984 0 40 DFAB C[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102300443 KVXZJTQTNRUDEA-ZOBORPQBSA-N 314.385 2.535 0 40 DFAB CCCN(CCC)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 21531902 MURNBKXMFSZREJ-UHFFFAOYSA-N 324.446 2.772 0 40 DFAB CN(C)C(=O)COc1ccc(NC(=O)CC2CCCC2)cc1 32800743 BGQLTOVOJYJYNW-UHFFFAOYSA-N 304.390 2.672 0 40 DFAB Cc1nc(C)c(CCC(=O)O[C@H](C)c2ccccc2)c(=O)[nH]1 32841363 PUCFQPZOCQMDBJ-GFCCVEGCSA-N 300.358 2.624 0 40 DFAB Cc1cc(NC(=O)Nc2cccc(N3CCCC3=O)c2)no1 32841313 TXGDZKZSKHYVHJ-UHFFFAOYSA-N 300.318 2.754 0 40 DFAB CCc1nc2ccccc2n1CC(=O)N(C)Cc1ccc(O)cc1 52962620 DSSFPDCNJJNZLO-UHFFFAOYSA-N 323.396 2.963 0 40 DFAB O=C(OC(F)(F)F)N1CCC(n2cnc3ncccc32)CC1 77011722 IKAKGTQYFRQIRW-UHFFFAOYSA-N 314.267 2.725 0 40 DFAB COc1ccc(NC(=O)C2CCOCC2)cc1Br 78652382 YLMMKGQEORXZRD-UHFFFAOYSA-N 314.179 2.823 0 40 DFAB COC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 79047960 TWCZILLIFSAHJL-QGZVFWFLSA-N 305.374 2.738 0 40 DFAB in-vitro O=S(=O)(N[C@H](c1ccccc1)C1CC1)N1CCCCCC1 22413274 HFSIQUWFVOOTMO-MRXNPFEDSA-N 308.447 2.848 0 40 DFAB COc1cc(S(=O)(=O)NCc2ccccc2C)ccc1F 8040999 ILVMLUJKXSKQLE-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB CN(Cc1ccsc1)C(=O)CCn1c(=O)oc2ccccc21 23957796 HSVPBVNSRJRVRP-UHFFFAOYSA-N 316.382 2.705 0 40 DFAB CCn1cc(NS(=O)(=O)c2ccc3ccccc3c2)cn1 24577122 QKUGCWOCEODJDN-UHFFFAOYSA-N 301.371 2.857 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cnns2)cc1OC 47624319 WXONIDIKPCGUNB-NSHDSACASA-N 319.386 2.533 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)c1cnn(Cc2ccccc2)c1 47644605 SNLWAKKKNYTXNI-UHFFFAOYSA-N 324.384 2.808 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(F)c(C)c1 105615810 VRDLFEXWHBBTOP-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB COc1ccc(C(=O)Nc2ccnc(-c3cccnc3)n2)cc1 1390010 BYUKEYSXWOTNJM-UHFFFAOYSA-N 306.325 2.800 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1ccc(NC2CC2)nc1 84425476 KFLFOJSQKIWZGN-UHFFFAOYSA-N 301.375 2.637 0 40 DFAB CC(C)c1csc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 107146063 MEDKPJREUMHMCH-YRRQLQLVSA-N 307.419 2.908 0 40 DFAB Cc1c(C(=O)NCc2ccccn2)[nH]c2c1C(=O)CC(C)(C)C2 25705720 NFOPBTITEFSLFU-UHFFFAOYSA-N 311.385 2.803 0 40 DFAB COc1ccc2nc(SCC(=O)c3cccn3C)[nH]c2c1 35181715 NVZFKSNSOABGBQ-UHFFFAOYSA-N 301.371 2.885 0 40 DFAB O=C(Nc1cccc(N2CCCC2)c1)N[C@H]1C[C@H]2CC[C@H]1O2 108105165 HBQHHLOYFLHUKS-OWCLPIDISA-N 301.390 2.728 0 40 DFAB COc1cc(CNC[C@@H]2CCCN(C)C2)cc(Cl)c1OC 44533185 GQOYIJSQURYOLJ-LBPRGKRZSA-N 312.841 2.789 0 40 DFAB CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C(C)C 58268069 ILROQYXXKXPQTM-CYBMUJFWSA-N 308.422 2.611 0 40 DFAB c1ccc(-c2noc(CN3CCC(c4cc[nH]n4)CC3)n2)cc1 58226014 VQPZZAPBIVNYLS-UHFFFAOYSA-N 309.373 2.839 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1 57355420 VUGKNWCYZFCVLV-WMZOPIPTSA-N 314.429 2.903 0 40 DFAB Cc1ccc(CN(C)S(=O)(=O)N(C)C2CCCCC2)o1 44908093 CKBDGUXMAJZISP-UHFFFAOYSA-N 300.424 2.529 0 40 DFAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccn(C)c1 84667349 BROILFAMGBZVEV-CYBMUJFWSA-N 313.405 2.903 0 40 DFAB COc1cc(Cl)ccc1CNC(=O)N[C@H](C)c1cnn(C)c1 84667530 GNPUWDHATBCTIM-SNVBAGLBSA-N 322.796 2.643 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 29111536 QKLPYMRFUXHLCK-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB c1ccc(CN2CCOCC2)c(CNC(C2CC2)C2CC2)c1 95419482 HCTZSPKASPDWHP-UHFFFAOYSA-N 300.446 2.797 0 40 DFAB C[C@H](CN1CCOCC1)N[C@H]1CC2(CCC2)Oc2ccccc21 95420339 BVOSVWKRAFEQBJ-WBVHZDCISA-N 316.445 2.743 0 40 DFAB CCCc1c(C(=O)O)nnn1Cc1cccc(C(F)(F)F)c1 65288267 JORCBXBQRONCTC-UHFFFAOYSA-N 313.279 2.996 0 40 DFAB COc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1 3433089 SHHSHHPRFWQHSC-UHFFFAOYSA-N 305.374 2.691 0 40 DFAB c1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)cc1 67898617 VCTUSYYNQCOOFU-KRWDZBQOSA-N 313.401 2.629 0 40 DFAB biogenic,in-vitro Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnnn1C 6643533 SIMQGMJJWAGPJQ-NSHDSACASA-N 319.434 2.761 0 40 DFAB COc1ccc(C(=O)N[C@H](c2n[nH]c(=S)n2C)C(C)C)cc1 4739084 PXWBIWDOMASCAA-LBPRGKRZSA-N 320.418 2.613 0 40 DFAB O[C@H](CN1CCN(CCc2cccs2)CC1)c1ccccc1 66434991 QZNGGUNOVOPIGV-GOSISDBHSA-N 316.470 2.642 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccc(OCC)c(OCC)c2)C1=O 409221654 UIQXSROOEWJNGO-JLHYYAGUSA-N 318.373 2.787 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)s1 15193375 PXXBUZVAUXVTSA-UHFFFAOYSA-N 318.354 2.745 0 40 DFAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 7052376 WELWDPNEHFXQDP-UHFFFAOYSA-N 317.366 2.893 0 40 DFAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1ccnc2ccccc12 68054502 CAGAMNBGWPZIFR-NSHDSACASA-N 317.414 2.950 0 40 DFAB COCc1ccccc1CNC(=O)N1C[C@H](C)OC(C)(C)C1 68478978 NSFIJTTYSKOKTP-ZDUSSCGKSA-N 306.406 2.542 0 40 DFAB CC[C@H](OC(=O)c1ccccc1OC)C(=O)Nc1cc(C)on1 9449764 QJMGZAQLFUNPCH-LBPRGKRZSA-N 318.329 2.566 0 40 DFAB CCc1nnc2n1CCN(Cc1coc(-c3cccs3)n1)C2 69511270 PJOLXIVHKQBVIN-UHFFFAOYSA-N 315.402 2.573 0 40 DFAB COCCOCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 69509308 FOBSWXMCOJCLME-UHFFFAOYSA-N 323.408 2.660 0 40 DFAB COCc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1 71882763 HWVXPDOGXLCNGL-UHFFFAOYSA-N 321.323 2.920 0 40 DFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)[C@H]1CCCO1 71888367 RYJHYHIJXOCZTQ-MRXNPFEDSA-N 310.353 2.801 0 40 DFAB CC(C)Cn1ncnc1CSc1nnc(C2CCC2)n1C 97081175 YJVFWRPJTRQWLE-UHFFFAOYSA-N 306.439 2.622 0 40 DFAB O=C(CCc1ccc(Cl)s1)N[C@@H]1CC[C@H](C(=O)O)C1 97039262 QOEWGCQBXQRPSV-DTWKUNHWSA-N 301.795 2.704 0 40 DFAB CC1CCN(C(=O)[C@@H](C)Nc2ccn(CC(F)(F)F)n2)CC1 97059994 AUNISAJAZPHOSV-LLVKDONJSA-N 318.343 2.504 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)CCCn2cncn2)n1 72281802 IYGGFFBWZNGLPE-ZDUSSCGKSA-N 319.434 2.577 0 40 DFAB COCCNC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1 72289614 GBBVUYMYORJRBX-WBVHZDCISA-N 321.465 2.698 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccnc(C)n2)n1 72232530 AGMOUZYDIURBHE-ZDUSSCGKSA-N 302.403 2.917 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413486 HDBDZBJWALLPBT-NRUUGDAUSA-N 321.377 2.757 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](C)c1ncc(C)s1 97113147 NHIITQDWJPYJOH-VIFPVBQESA-N 306.391 2.780 0 40 DFAB Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 97114329 ARRSDDWYFGOKKK-UHFFFAOYSA-N 318.185 2.893 0 40 DFAB CC[C@H](NC(=O)c1cccc2nn[nH]c12)c1nc2ccccc2[nH]1 97103904 SGVLGLRKNIZEOE-NSHDSACASA-N 320.356 2.715 0 40 DFAB COC(C)(C)CN[C@@H](C)c1cc2c(s1)SCC(=O)N2 97234798 GQKFQFKRQYEKKL-QMMMGPOBSA-N 300.449 2.868 0 40 DFAB O=C(CSc1ccccc1O)NC[C@H]1Cc2ccccc2O1 95406436 WNBIDQXPCHHCJY-CYBMUJFWSA-N 315.394 2.604 0 40 DFAB CCO[C@@H](C)c1noc(CN(C)C(=O)C2C(C)(C)C2(C)C)n1 74090712 GOBCRIWGIKXTMX-JTQLQIEISA-N 309.410 2.808 0 40 DFAB CCn1ccc(=O)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 95992176 BCDQZGNPMOEJES-VXGBXAGGSA-N 318.323 2.889 0 40 DFAB CC(C)(C)OCCN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O 95964087 BBMFEIIFJHDGMH-CYBMUJFWSA-N 307.365 2.558 0 40 DFAB Cc1cc(C(=O)NCCNc2cccc(Br)c2)on1 95995548 RFADKXPLMURRBU-UHFFFAOYSA-N 324.178 2.587 0 40 DFAB COCCn1ccc2cc(NC(=O)N[C@]3(C)CCOC3)ccc21 95975241 MYFLXMYIRBVBBZ-QGZVFWFLSA-N 317.389 2.588 0 40 DFAB CCc1cnccc1C(=O)N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1 95992402 LFTVEODFQTXHJA-QFYYESIMSA-N 320.339 2.774 0 40 DFAB Cn1cc(CCCNC(=O)C2(Cc3ccccc3)CCC2)cn1 89755635 HBCXNMXRAFBPEH-UHFFFAOYSA-N 311.429 2.882 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1F 171477273 SSXOHCNRKOPERK-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1F 30322485 RPYYCWSZBIXPHP-GFCCVEGCSA-N 323.389 2.916 0 40 DFAB COc1cc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)ncn1 541179237 HGPZLJPTBVVXEY-SNVBAGLBSA-N 316.336 2.776 0 40 DFAB CCCc1nnc(NC(=O)N[C@H](C)c2c(C)noc2C)s1 73176879 XYEHJXDVNBYRPV-SSDOTTSWSA-N 309.395 2.978 0 40 DFAB Cc1cc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)ccn1 79001816 JHJSOENWSOKQPF-RUDMXATFSA-N 321.380 2.934 0 40 DFAB Cc1cc(-c2csc(NC(=O)C3=COCCO3)n2)c(C)n1C 32962345 CFMWRQLHVFPDOR-UHFFFAOYSA-N 319.386 2.592 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1C 72239094 WGYPHEFVKXSOCP-UHFFFAOYSA-N 307.419 2.937 0 40 DFAB CC(C)n1ccc(-c2nnc(NC(=O)Cc3cccs3)o2)n1 38499383 HKCWDRNBTFDNAB-UHFFFAOYSA-N 317.374 2.757 0 40 DFAB C[C@]1(c2ccccc2)CCCN(CC(=O)NCc2ccccn2)C1 79097557 BRLLQNBAWIYYIE-FQEVSTJZSA-N 323.440 2.752 0 40 DFAB C[C@@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@H]1CCCO1 78611663 FGLDDGXNGRZWDV-IAQYHMDHSA-N 318.352 2.700 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)NCCCn1ccnc1)[C@H](C)C2 182412978 BXXRDWBFHCKCEN-PBHICJAKSA-N 312.417 2.814 0 40 DFAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 72227261 WLTCOQNNQQJHNG-KGLIPLIRSA-N 317.186 2.864 0 40 DFAB Cc1cc([C@H](NC(=O)CCn2cncn2)C(C)C)c(C)s1 78918984 QVTAIRHMNWFDIF-OAHLLOKOSA-N 306.435 2.860 0 40 DFAB COc1ccc(-c2cnc(CCC(=O)NC(C)C)o2)c(OC)c1 224864635 GPGXLWPTFUFXPD-UHFFFAOYSA-N 318.373 2.816 0 40 DFAB CC[S@](=O)Cc1ccc(OC)c(OC)c1Br 89104590 KTOVZJORZMJXOU-MRXNPFEDSA-N 307.209 2.735 0 40 DFAB O=C(O)c1cnc(COc2ccccc2)nc1N1CCCCC1 49469209 QDHZBJXHVOSXTQ-UHFFFAOYSA-N 313.357 2.744 0 40 DFAB COc1ccc(Cl)cc1NC(=O)Nc1cnc(N(C)C)nc1 75161909 VSTGZGUHACLJJU-UHFFFAOYSA-N 321.768 2.849 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1Cl 75157258 ONZXRPTWZKDZJA-LBPRGKRZSA-N 308.230 2.837 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F 195536805 QLWASURQNHVIED-JTQLQIEISA-N 319.254 2.924 0 40 DFAB Nc1nn(-c2cc(Cl)ccc2Cl)nc1Br 89262539 ZMRQANRGGVOHSR-UHFFFAOYSA-N 307.966 2.919 0 40 DFAB O=C(Nc1cccc2ccccc12)c1cc(N2CCOCC2)on1 224073188 PESVGFFLHWLZLU-UHFFFAOYSA-N 323.352 2.917 0 40 DFAB O=C(Nc1cccnc1)NC1(Cc2ccccc2)CCOCC1 577059911 QJWPFRCAJGJSOH-UHFFFAOYSA-N 311.385 2.995 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@H]2CCCCO2)ccn1 195551769 KHYLCBXFTZXDEN-UKRRQHHQSA-N 306.406 2.900 0 40 DFAB Cc1noc(C)c1CN(C)c1ncccc1C(=O)OC(C)C 96503032 PLJUWAQHSCRVHH-UHFFFAOYSA-N 303.362 2.888 0 40 DFAB Cc1nc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)oc1C 578369431 KLQSPNIBRCIKLK-QGZVFWFLSA-N 300.358 2.520 0 40 DFAB CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(C(N)=O)o1 96474248 PVOPCBUETAZRLM-ZDUSSCGKSA-N 321.421 2.879 0 40 DFAB O=C(c1ccc[nH]1)N1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 96076086 TZFUSFDITCLNTN-GOSISDBHSA-N 313.376 2.644 0 40 DFAB COC(=O)Cc1cccc(NC(=O)NCCc2cccs2)c1 96476210 FRCTYMPSNWGKHK-UHFFFAOYSA-N 318.398 2.828 0 40 DFAB c1ccc(N[C@H]2CCO[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 96207471 XAIUVNAMQRPICW-PKOBYXMFSA-N 324.428 2.712 0 40 DFAB Cc1ccc(NC[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)nc1 97200529 ZNKFNWBBRZCUSN-HNNXBMFYSA-N 300.406 2.929 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)CC1CCCC1)CC2 96106339 HITWCNBWIGNFMC-INIZCTEOSA-N 309.450 2.858 0 40 DFAB CS(=O)(=O)CCCN[C@@H](c1ccccc1)c1cccc(F)c1 96476399 HUBMMBRAYNFCKC-KRWDZBQOSA-N 321.417 2.939 0 40 DFAB O=C(c1ccccn1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109372 ZCXRVPNBFMUPRG-BEFAXECRSA-N 323.396 2.798 0 40 DFAB CC[C@@](Br)(C(=O)c1ccc(F)cc1)S(C)(=O)=O 96518680 JXQWIVMQPCGGTM-NSHDSACASA-N 323.183 2.554 0 40 DFAB C[C@](O)(CNCc1cnc2ccccn12)c1ccccc1Cl 97378294 YISZNYSNAIDJGK-KRWDZBQOSA-N 315.804 2.985 0 40 DFAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCCOC2)cc1 95409896 GWLXOEOAEZAQMO-CJNGLKHVSA-N 313.401 2.785 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 253591752 PZWAYSGZNDUEHN-KFNAQCHYSA-N 308.385 2.688 0 40 DFAB CCOCCCNC(=O)Nc1cc(F)cc(N2CCCC2)c1 69871751 KOBGSFCQRTXCCK-UHFFFAOYSA-N 309.385 2.974 0 40 DFAB Cc1cc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)no1 69620063 CWZOEMNQQUKQHU-ZDUSSCGKSA-N 309.410 2.720 0 40 DFAB CNC(=O)NC(=O)[C@H](C)S[C@@H](C)c1c(F)cccc1F 49065134 FVIHNQKTFCVRLJ-YUMQZZPRSA-N 302.346 2.603 0 40 DFAB O=c1[nH]ncc(NCCOc2cccc(Cl)c2)c1Cl 49321054 KFXBZPIYHYLHCC-UHFFFAOYSA-N 300.145 2.568 0 40 DFAB COCc1csc(NC(=O)c2ncccc2OC(C)C)n1 79506407 SQOWSKRCLMEHBQ-UHFFFAOYSA-N 307.375 2.724 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)Cc1ccon1 80276360 WHUWXSLOPMXXKY-MEBBXXQBSA-N 324.377 2.557 0 40 DFAB CC(C)OCCn1cnc2ccc(Br)cc2c1=O 40494147 RSEHBGWMGJKNQV-UHFFFAOYSA-N 311.179 2.584 0 40 DFAB C=Cn1ncc(CN(CCCN(C)C)Cc2ccco2)c1C 12186825 XWBHOQBJCCOPML-UHFFFAOYSA-N 302.422 2.839 0 40 DFAB CCOc1ccccc1NC(=O)COc1cccc(C(=O)O)c1 13079970 QJPXOHUAHJUAEN-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB Cc1cc([C@H](O)CNC(=O)NCCCc2ccccc2)c(C)o1 1565519839 PPQXJCLBNIBHJT-QGZVFWFLSA-N 316.401 2.862 0 40 DFAB CN(CCF)[C@H]1COC2(CCN(CCc3ccccc3)CC2)C1 2055835573 JUICWWHZTSXGRV-GOSISDBHSA-N 320.452 2.754 0 40 DFAB O=C(N[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1 2086881983 QFGMSBMNHGJILF-LLVKDONJSA-N 313.323 2.595 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1 5557860 RUDDOAURUOZFIJ-MRXNPFEDSA-N 314.429 2.792 0 40 DFAB NC(=O)c1ccc(COC(=O)Cc2c[nH]c3ccccc23)cc1 30020758 DZLWESZRZIEKKC-UHFFFAOYSA-N 308.337 2.553 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCCc2ccc(F)cc21 40117248 CCFMTSCJLSJMCP-UHFFFAOYSA-N 310.332 2.550 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1 30568874 JRWLRCIEHTVMAH-JTQLQIEISA-N 303.387 2.959 0 40 DFAB O=C(CNC(=O)c1ccsc1)NC1(c2ccccc2)CCC1 51418444 GEGGRVDQAMBEOL-UHFFFAOYSA-N 314.410 2.674 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)CCOc2ccccc21 20892266 MYYWSQNODIEPEG-CQSZACIVSA-N 316.401 2.593 0 40 DFAB Cc1cc(Br)ccc1OCC(=O)NCC(C)C 382452 XZNNJCBKUGCSJS-UHFFFAOYSA-N 300.196 2.909 0 40 DFAB CC(C)N1C[C@H](C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1=O 32816338 JZOYZCKTGBBQTN-GXTWGEPZSA-N 314.385 2.867 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NC[C@H]1Cc2ccccc2O1 33111766 DTGREBRBHXLODY-OAHLLOKOSA-N 306.365 2.830 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)NC(=S)N1 572283 FVPIWZFDVGYCAJ-CQSZACIVSA-N 322.405 2.818 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 209076 BUKPIOJISCQXGT-OAHLLOKOSA-N 323.396 2.944 0 40 DFAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1OC 496400 WKJUIBLGAGVRFK-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB Cc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)no1 46853260 VSRZETPQOIDWNF-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB C[C@H](CN1CCOCC1)NC(=O)/C=C/c1cccc2ccccc12 46889631 PVQWQRZJGKJTRF-ZNFPLGDCSA-N 324.424 2.690 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)OCC(C)C 6426345 MMVOXYRMHCDGOX-LBPRGKRZSA-N 308.378 2.713 0 40 DFAB CCOc1ccc(CC(=O)Nc2sccc2C(=O)NC)cc1 7614916 BHTXDRNFPAGGFY-UHFFFAOYSA-N 318.398 2.688 0 40 DFAB CC[C@H](C(=O)OC)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 914919 ZLJFBIKTVWNLSS-MWLCHTKSSA-N 320.414 2.707 0 40 DFAB CCCCCOc1cc(S(N)(=O)=O)ccc1Br 54363304 WNBGFAMEGNPDMH-UHFFFAOYSA-N 322.224 2.666 0 40 DFAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1 47608253 CDMFBDCOYFVVSR-GOSISDBHSA-N 321.424 2.883 0 40 DFAB CCc1nc(CN2CCCN(C(=O)c3ccoc3)CC2)cs1 55059900 YIQPRTDSJFVDPW-UHFFFAOYSA-N 319.430 2.647 0 40 DFAB COC(=O)c1cc(CNC(=O)N2CCc3ccccc32)oc1C 43229188 MXBJCFRXTBNTQC-UHFFFAOYSA-N 314.341 2.647 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H](C)Cn2ccnc2C)cc1 47937856 PXKPTKLGXMJASL-CYBMUJFWSA-N 301.390 2.656 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 97111789 SZGKZRFUDZVGSI-KWCYVHTRSA-N 320.389 2.655 0 40 DFAB CCS[C@H](C)CC1CC(=O)C(C(=O)c2cc(C)no2)C(=O)C1 104424056 GQLQSFUEKPGRPP-RWWNRMGGSA-N 323.414 2.862 0 40 DFAB C[C@H]1CCc2nc(NC(=O)CCCn3ccnc3)sc2C1 57996170 CWBLXULVEPDWFI-NSHDSACASA-N 304.419 2.883 0 40 DFAB CCn1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1=O 58368647 MFIUWUDXYRJIOC-UHFFFAOYSA-N 315.354 2.837 0 40 DFAB CCSc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)ccn1 58306267 MVXBGJRTRVDPSH-HNNXBMFYSA-N 319.474 2.894 0 40 DFAB CCN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1 58420999 CJWVFTIPZDJUED-INIZCTEOSA-N 316.445 2.806 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](N)[C@@H]2O 118918619 ZUUSQEHYADUJAR-KMDKCDOHSA-N 307.478 2.688 0 40 DFAB Cc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)cc1 29505125 NKVFSSNRMRXNJX-OKILXGFUSA-N 313.401 2.739 0 40 DFAB COc1cc2c(cc1OC)CN(Cn1ncsc1=S)CC2 12862773 PSFGJTFPTVEIBM-UHFFFAOYSA-N 323.443 2.707 0 40 DFAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1-n1cnnn1 46305907 KVYAGISHQLKJEN-UHFFFAOYSA-N 315.283 2.501 0 40 DFAB CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OC 8988008 YAFBRIQGFGGTNS-UHFFFAOYSA-N 307.375 2.760 0 40 DFAB COc1cc(CN2C[C@H](C)O[C@H](C)C2)ccc1OC(F)F 39985773 CBVVDJPPPDCHBA-PHIMTYICSA-N 301.333 2.906 0 40 DFAB CCOC(=O)c1c(N2C(=N)SCC2=O)sc2c1CCCC2 4342439 XHCAOMPCTUADFB-UHFFFAOYSA-N 324.427 2.818 0 40 DFAB C[C@@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 65504953 VLRYLXLYKPQFSJ-MCIONIFRSA-N 310.438 2.938 0 40 DFAB Cc1cc2oc(=O)cc(CSc3n[nH]c(N)n3)c2cc1Cl 5472847 KFGFUCITHAGORK-UHFFFAOYSA-N 322.777 2.747 0 40 DFAB C[C@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C 4648916 JUOJRKSGBSGLNG-LQKXBSAESA-N 300.402 2.733 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1ccc(F)cc1F 5657968 TUTSUKWAMRVHTF-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 5785171 AWLHWRMIBBOTTD-OAHLLOKOSA-N 315.417 2.700 0 40 DFAB CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 6832390 TUNQCGWDEAGEEL-UHFFFAOYSA-N 319.386 2.760 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1 7022524 SJSZNLCDTUXRMZ-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB Cc1cc(C(=O)OCc2cc(=O)n3c(C)cccc3n2)c(C)o1 7158771 ZTJPSPRHQXMVTQ-UHFFFAOYSA-N 312.325 2.570 0 40 DFAB C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1cccs1 7114904 UXMAXSGKWJEPDY-CYBMUJFWSA-N 300.427 2.858 0 40 DFAB O=C(c1ccco1)N1CCC(NCc2cccc3cn[nH]c23)CC1 72312297 KVIPWHSFSZKIRD-UHFFFAOYSA-N 324.384 2.550 0 40 DFAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccc(F)cc1 7492396 DSKHVYKZBPSKFN-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c(C)o1 7745938 PICHNRQGJWZHDW-CYBMUJFWSA-N 301.342 2.758 0 40 DFAB COc1ccc(Cc2noc([C@@H](C)N3CCSCC3)n2)cc1 91583302 HTYUTWYJUNMRLY-GFCCVEGCSA-N 319.430 2.779 0 40 DFAB C[C@@]1(NC(=O)NCCCn2ccnc2)CCCc2ccccc21 69620346 RLZYCWUUUZHPQG-GOSISDBHSA-N 312.417 2.824 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)Nc3ccncc3)CC2=O)c1C 17584001 KDRZFDXLZMSSCX-CQSZACIVSA-N 309.369 2.690 0 40 DFAB Cc1csc([C@H](C)NC(=O)NCC2(N(C)C)CCCC2)n1 69727386 LDFIALLZUSVQEH-LBPRGKRZSA-N 310.467 2.686 0 40 DFAB CC[C@@](C)(O)CNCc1ccc(OCc2ccncc2)cc1 69897530 NOYHDVNETWWQOH-GOSISDBHSA-N 300.402 2.911 0 40 DFAB CN1CCC[C@H](CSc2nnc(-c3cccs3)n2C)C1 71804189 ZLUNRUPFKIQAPD-NSHDSACASA-N 308.476 2.978 0 40 DFAB COCCCN(C)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 71833205 JNUJZBSGQRECAK-SNVBAGLBSA-N 309.435 2.631 0 40 DFAB C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C(N)=O)CC1 71824637 OFAIARKZMSQRTN-SNVBAGLBSA-N 316.323 2.844 0 40 DFAB O=C(NCC1CCCCCCC1)NC[C@H]1CC(=O)N(C2CC2)C1 96500340 MAWJHGYTYZSINL-OAHLLOKOSA-N 321.465 2.657 0 40 DFAB Cc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)cc1C 84177781 DVRIUGHHEDKDNP-UHFFFAOYSA-N 309.413 2.656 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 95399685 QBVYONVHTTYAME-JKSUJKDBSA-N 306.450 2.816 0 40 DFAB COCCOc1ncccc1NCc1nc2ccccc2n1C 95430872 PQSAFLUSCNKOAJ-UHFFFAOYSA-N 312.373 2.606 0 40 DFAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCn1ccnc1 20104247 SQIUUPOODLYRBJ-HNNXBMFYSA-N 315.417 2.980 0 40 DFAB Fc1ccc(CN2CCCN(c3nc(C4CC4)no3)CC2)cc1 89787681 HUEZYEPWTIJCHF-UHFFFAOYSA-N 316.380 2.798 0 40 DFAB CC[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1nc(C)n[nH]1 89943700 HCGWRJZCFOYETD-BXUZGUMPSA-N 308.426 2.808 0 40 DFAB FC(F)(F)c1cc([C@H]2CCCN(Cc3ccon3)C2)n[nH]1 76060312 GDCRFVGGKGAFJK-VIFPVBQESA-N 300.284 2.796 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NCCN(C)C1CC1 65574984 GBESDHUTCYNFQZ-UHFFFAOYSA-N 315.442 2.943 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 408707494 NODXHCNIMOLZEN-SQWLQELKSA-N 302.418 2.601 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)C2(c3ccc(F)cc3)CC2)o1 49522060 NRYQFQOTHNVXGU-CQSZACIVSA-N 303.333 2.609 0 40 DFAB CC(C)COC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1ccco1 517150593 ROTPQZVTRJGHLH-CQSZACIVSA-N 317.389 2.566 0 40 DFAB CCC[C@H](CC1CCCCC1)C(=O)NCCS(C)(=O)=O 79092441 QLDVOSBLIMBCCW-CQSZACIVSA-N 303.468 2.534 0 40 DFAB COC(=O)[C@@H](NC(=O)Cc1cccs1)c1ccc(F)c(C)c1 183811991 AECQLLZNZXKTLY-HNNXBMFYSA-N 321.373 2.769 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 72378660 ZEGLJCCEEDLBKU-QGZVFWFLSA-N 305.385 2.999 0 40 DFAB CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1cccc(Cl)c1 78978908 LJQRAOYQFWHQTL-SNVBAGLBSA-N 317.838 2.807 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 32362081 KZXNEGFQPYDVPI-ZDUSSCGKSA-N 315.200 2.845 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ccncc1 76651386 FNUIQDSNFNCWAL-QGZVFWFLSA-N 323.440 2.747 0 40 DFAB Cc1cc(N(C)C)cc(C2CCN(C(=O)c3ccncc3)CC2)n1 72368252 CSQIQVSBYCZCNA-UHFFFAOYSA-N 324.428 2.871 0 40 DFAB CC(C)CCn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 40267519 QMTPZNSTSPLYMW-UHFFFAOYSA-N 320.780 2.733 0 40 DFAB COC(=O)N1CC[C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 80500807 JRACEFBYIBUAFL-CYBMUJFWSA-N 316.357 2.620 0 40 DFAB Cc1nnc2sc(C3=CCN(Cc4ccccc4)CC3)nn12 226250536 HBAIJLOXXLTWIF-UHFFFAOYSA-N 311.414 2.784 0 40 DFAB COc1ccc(Nc2ncc3c(n2)-c2cn(C)nc2NCC3)cc1 45796164 WNTMRESYWYIXAH-UHFFFAOYSA-N 322.372 2.597 0 40 DFAB O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(F)ccc2Cl)CN1 225463316 CXYPTMPAQFSUCK-NHYWBVRUSA-N 310.800 2.970 0 40 DFAB Cn1cccc1CCNC(=O)c1ccc2c(c1)nc(Cl)n2C 222564786 DUMPMPGBXRWKKC-UHFFFAOYSA-N 316.792 2.538 0 40 DFAB CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 40157358 AOTRRRWIJBINCZ-WWRWRHIGSA-N 320.477 2.870 0 40 DFAB CCCn1ccnc1CCCN(C)c1ncnc2onc(C)c12 192551980 JZJCAOYYMBGPAP-UHFFFAOYSA-N 314.393 2.602 0 40 DFAB C[C@@H](CNC(=O)[C@H](C)n1ccnc1)Oc1ccc(Cl)cc1 81350064 QLRDGWIIXANKBO-RYUDHWBXSA-N 307.781 2.681 0 40 DFAB Cc1cc(NC(=O)CN2CC[C@@H](C)C[C@@H]2c2ccco2)no1 96441795 LCEVJEXCBQCLCU-DGCLKSJQSA-N 303.362 2.988 0 40 DFAB O=C(CNC(=O)c1ccsc1)N[C@H]1C[C@H]1C1CCCCC1 96440861 XMFNJAJAJFGZQY-KBPBESRZSA-N 306.431 2.563 0 40 DFAB Brc1cncc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)N2)c1 96510301 TZBAZCPFBXKZNL-ZJUUUORDSA-N 305.179 2.583 0 40 DFAB CC1CCN(c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cn2)CC1 96403504 NZWJQWYCFIMWQI-GASCZTMLSA-N 317.433 2.567 0 40 DFAB CCN(C(=O)c1nc2c(s1)CCCN2C(=O)C1CC1)C(C)C 96264694 XXHFZMRCDKICKT-UHFFFAOYSA-N 321.446 2.703 0 40 DFAB Cc1cc(C(=O)NC[C@H](C)CCO)nn1-c1cccc(Cl)c1 96495162 XXXAOZWBPRXFID-LLVKDONJSA-N 321.808 2.582 0 40 DFAB COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c(O)n[nH]c1C 95478645 XLBSMBMDXLGIHR-MRVPVSSYSA-N 314.263 2.536 0 40 DFAB Cn1c(Cn2nc(C(F)(F)F)c3cnccc32)nnc1C1CC1 97375733 GBHNVKAHISDEOG-UHFFFAOYSA-N 322.294 2.504 0 40 DFAB CN(C(=O)[C@H]1CCCCN1Cc1cccnc1)c1nccs1 96410148 ZMTRFZSPOWJKCS-CQSZACIVSA-N 316.430 2.556 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H]2CCSC2)C1=O 96477897 BXCRYKZBDZXJAB-ZIAGYGMSSA-N 308.422 2.725 0 40 DFAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)o1 96186433 HYHULUPPHIVIKK-HOTGVXAUSA-N 324.380 2.998 0 40 DFAB O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CCOC1 96489980 GUJVNTIDFXJDLS-ZYHUDNBSSA-N 305.271 2.972 0 40 DFAB O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CCC1 96121532 QVCBAIKOJRPHHH-UHFFFAOYSA-N 315.339 2.697 0 40 DFAB COc1cc(CC[C@@H](O)c2ccccc2N)cc(OC)c1OC 242687473 UHDOKDQRGDJPRG-OAHLLOKOSA-N 317.385 2.961 0 40 DFAB Cc1ccc(CN2CCOC[C@H](Cc3cnccn3)C2)s1 257334815 YHMHUHRXQFNXDV-CQSZACIVSA-N 303.431 2.538 0 40 DFAB Nc1n[nH]c2nc([C@@H]3CCCN(Cc4ccsc4)C3)ccc12 257265851 MAQAPGHANDUEHJ-GFCCVEGCSA-N 313.430 2.981 0 40 DFAB COc1cccc(CN2CCC[C@@H](Cc3nccnc3N)C2)c1 257256975 KNPGJHZEOUXRMP-HNNXBMFYSA-N 312.417 2.522 0 40 DFAB CCCn1cc(CNCCc2ccc(OC)c(OC)c2)c(C)n1 256054022 UQRAUBYAUQGQEP-UHFFFAOYSA-N 317.433 2.951 0 40 DFAB CC(C)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn23)C1 257203069 AOOJTDQZFDJGNI-JTQLQIEISA-N 313.327 2.731 0 40 DFAB CC(C)c1nc(N2CCC([C@@H](C)CO)CC2)c2cc[nH]c2n1 631331725 XVQHPYPNKIABGF-LBPRGKRZSA-N 302.422 2.926 0 40 DFAB C[C@H](NC(=O)C1CCC1)C(=O)Nc1cc(Cl)ccc1N(C)C 67270706 XWWZCTCPQDHDFI-JTQLQIEISA-N 323.824 2.649 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 37410517 BLRZDZXAQVKLML-SECBINFHSA-N 307.346 2.977 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc2cccnc12 56951975 WQDHNGFASSQIIK-OAHLLOKOSA-N 322.368 2.863 0 40 DFAB COc1ccccc1C(C)(C)CNc1cn[nH]c(=O)c1Cl 58218027 DHZKFVWEUFSDBN-UHFFFAOYSA-N 307.781 2.822 0 40 DFAB COC1=CC[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 96316332 XJZOLKDBHJPTAT-BLDHALOPSA-N 313.397 2.504 0 40 DFAB biogenic,in-vitro COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Cl)nn1 75137836 ANKDNKMHWVHLBB-UHFFFAOYSA-N 319.748 2.522 0 40 DFAB O=C(NC[C@]1(O)CCCc2ccccc21)c1cccnc1Cl 75213520 BZUGBJQEFHKCPW-QGZVFWFLSA-N 316.788 2.689 0 40 DFAB O=C(NCC[C@@H](O)C1CC1)Nc1cccc(C(F)(F)F)c1 77108803 HECAALIVWFYAOR-GFCCVEGCSA-N 302.296 2.988 0 40 DFAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccoc3)n2)cc1 78774155 VFANNIKIKDBNOL-SNVBAGLBSA-N 313.313 2.829 0 40 DFAB O=C(C1CCCC1)N1CCC(c2nnc3n2CCCCC3)CC1 19015077 MGOOEFOUWLYALM-UHFFFAOYSA-N 316.449 2.901 0 40 DFAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2cccc3ncccc23)N1 19713211 DLECAWIZXHSESK-ZWKOTPCHSA-N 309.413 2.868 0 40 DFAB COc1cccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)c1 19910695 QFGILMSNPZORGQ-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CC(C)C[C@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 23624773 NQGVPNNEXKHJSL-CQSZACIVSA-N 323.824 2.696 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)c2ccccc21 2037684431 GEQOZWNHQIXPKA-AWEZNQCLSA-N 322.412 2.996 0 40 DFAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C)C(=O)c1ccccc1 4686182 SKURYGPOQFMDFY-MRVWCRGKSA-N 318.369 2.636 0 40 DFAB CN(C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 5122917 KJNHXINFWXPXKH-CQSZACIVSA-N 315.417 2.766 0 40 DFAB Cn1cc([C@H]2CN(C(=O)c3ccco3)Cc3ccccc32)cn1 575619444 MCYMBOSHLRQGHA-MRXNPFEDSA-N 307.353 2.801 0 40 DFAB Fc1ccc(N2CCN(Cn3cnc4ccccc43)CC2)cc1 20518419 GJJHFRNAVRXGTI-UHFFFAOYSA-N 310.376 2.955 0 40 DFAB COc1cc(O)cc2oc([C@H]3C=C(O)C(O)=CC3)c(O)c(=O)c12 100054050 YZEPJUSIQOJOGW-SSDOTTSWSA-N 318.281 2.584 0 40 DFAB COC(=O)c1ccc(S(=O)(=O)N(CC(C)C)C(C)C)cc1 32927408 PRUPRAMIFSQCIB-UHFFFAOYSA-N 313.419 2.528 0 40 DFAB COc1ccc(C=O)cc1OCC(=O)c1cc(C)n(C)c1C 32909985 XNSRFHQSWYXTOF-UHFFFAOYSA-N 301.342 2.725 0 40 DFAB CC(C)[C@@H](CO)NC(=O)Nc1ncc(-c2ccccc2)s1 79020974 NMZNNPCKBUSEBT-GFCCVEGCSA-N 305.403 2.949 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)n1 53747763 RZKKRYRBRQLPSJ-OAHLLOKOSA-N 314.389 2.510 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)C(C)(C)c1cccs1)C2 72285423 SIHZPTRDPAOIPB-GFCCVEGCSA-N 303.431 2.662 0 40 DFAB O=C1c2ccc(Br)cc2C(=O)N1c1nccs1 8434739 RVNHLAPRTBUOGV-UHFFFAOYSA-N 309.144 2.706 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cn1 8513266 HOHQPPLTQAXBTA-UHFFFAOYSA-N 311.746 2.845 0 40 DFAB Cc1ccc(C)c(OC[C@@H](O)CSc2cccc[n+]2[O-])c1C 61715458 SSPYYAYVDQVHQH-OAHLLOKOSA-N 319.426 2.777 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCOc4ccccc43)cc12 23750356 UMLGKKUCHGTDJI-OAHLLOKOSA-N 322.368 2.530 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cc1ccc(F)cc1 12599422 QNJPBDZPXRWQPV-BETUJISGSA-N 307.365 2.701 0 40 DFAB CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)cnn2c1O 102776475 HSALFZCTIQAWPD-UHFFFAOYSA-N 311.341 2.516 0 40 DFAB O=C(Nc1ncccc1O)c1ccc(OC[C@H]2CCCO2)cc1 12545113 ZJIHAOIPHJHVTI-CQSZACIVSA-N 314.341 2.597 0 40 DFAB Cn1cc(CCNCc2c[nH]nc2-c2cc3ccccc3o2)cn1 97159829 QFRGBBODIBTJSD-UHFFFAOYSA-N 321.384 2.889 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1Br 3266290 XJTGMOKZCMIZSL-RKDXNWHRSA-N 312.163 2.587 0 40 DFAB COc1cc(C(=O)NCc2sccc2C)cc2c1OCCO2 25718293 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O=C1COc2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2N1 39491965 SABKYQPKVFLZLY-UHFFFAOYSA-N 308.337 2.759 0 40 DFAB CC(=O)N1CCC(C(=O)Nc2ccc3nc(C)sc3c2)CC1 9155797 FEUCNEOVMLWCBM-UHFFFAOYSA-N 317.414 2.802 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 5170825 AJQKZGHDGKAJDN-UHFFFAOYSA-N 313.382 2.565 0 40 DFAB Cc1ccc(S(=O)(=O)C2(C(=O)NCC3CCC3)CCC2)cc1 65478691 MUARJTODWWODOP-UHFFFAOYSA-N 321.442 2.608 0 40 DFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-n2cncn2)nc1 65443544 UICTUCKGJFVRPM-JSGCOSHPSA-N 314.393 2.705 0 40 DFAB Cc1ccc(CSCC(=O)Nc2cccc(C(N)=O)c2)cc1 14128951 MQIPJNCCLBZRGW-UHFFFAOYSA-N 314.410 2.966 0 40 DFAB CCCN(CCCN(C)C)C(=O)c1ccc(OC)c(OC)c1 5446831 UFMRXFDREGFETO-UHFFFAOYSA-N 308.422 2.508 0 40 DFAB Cc1nn(C)cc1-c1nnc(S)n1-c1ccc(Cl)cc1 6533726 OHUIDCWVRWANQZ-UHFFFAOYSA-N 305.794 2.918 0 40 DFAB COc1ccc(/C=C/C(=O)n2nnc3ccccc32)cc1OC 5527258 CJAPQGXCASLDLL-CSKARUKUSA-N 309.325 2.802 0 40 DFAB COc1cc(CNc2nc3ccccc3n2C)cc(OC)c1O 6752526 XBZIXCNLSKNJNF-UHFFFAOYSA-N 313.357 2.908 0 40 DFAB COc1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc1 9304864 LBWJMARJUDTXAB-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB C[C@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)n1cncn1 67090870 RTOBQUYDBRUKCS-SSDOTTSWSA-N 302.231 2.636 0 40 DFAB Fc1ccc(-n2c(S)nnc2-c2cnccn2)cc1Cl 5927086 RIRWXKAPFFYJGU-UHFFFAOYSA-N 307.741 2.806 0 40 DFAB CCc1ncc(CN(C)Cn2ncc3ccccc3c2=O)s1 67440580 UCCADFODXZYMOY-UHFFFAOYSA-N 314.414 2.505 0 40 DFAB C[C@H]1CCNC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595808 MBYPFHDEGGLQLS-UFBFGSQYSA-N 304.287 2.572 0 40 DFAB COC(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccn1 80445336 LBTNSDPATMVVKB-JTQLQIEISA-N 316.382 2.689 0 40 DFAB O=C(Nc1csc(N2CCCCC2)n1)c1cncc(F)c1 97233185 NRTJVNYYAFHRME-UHFFFAOYSA-N 306.366 2.920 0 40 DFAB COc1ccc([C@H](NC(=O)c2csnn2)C(F)(F)F)cc1 97080005 XDYUVFGGPSZADE-JTQLQIEISA-N 317.292 2.580 0 40 DFAB c1csc(-c2n[nH]c(CN3CCOCC34CCCC4)n2)c1 97083928 NKXPUHBXYVIDLJ-UHFFFAOYSA-N 304.419 2.678 0 40 DFAB CCc1nn(C)cc1NC(=O)CCc1nnc(C2CCCC2)o1 91155431 KJDXPJPEIJMBOZ-UHFFFAOYSA-N 317.393 2.594 0 40 DFAB O=C(c1ccc2[nH]ccc2c1)N1CCc2ccccc2[C@@H]1CO 97097728 ZKSNWMHIASFOOP-SFHVURJKSA-N 306.365 2.900 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 17325313 DFBURWBAUIWPGB-QWRGUYRKSA-N 313.829 2.750 0 40 DFAB O=C(c1coc(Br)c1)N1CCC[C@H]1Cn1cccn1 71866444 IXQDGOSYVJVDSC-NSHDSACASA-N 324.178 2.543 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2cnc(C)s2)n1 69601168 GISVAKSRBZNFNX-CQSZACIVSA-N 305.451 2.715 0 40 DFAB COCCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1C 72275670 DICACHPSCZHSTN-ZBFHGGJFSA-N 323.364 2.535 0 40 DFAB Cc1ccc(N(C)C2CCN(C(=O)c3ccsc3)CC2)nn1 69818109 JWCYASZELSXLOY-UHFFFAOYSA-N 316.430 2.588 0 40 DFAB O=C(CSc1ccccc1F)N[C@@H]1CCCC[C@H]1C(=O)O 70525062 GHILMJZNRSRYPU-ZYHUDNBSSA-N 311.378 2.677 0 40 DFAB CC(=O)NC(C)(C)c1noc(CCc2cccc(F)c2F)n1 71905158 QNSAQKYQJHYKEN-UHFFFAOYSA-N 309.316 2.504 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2CCC[C@H](N(C)C)C2)on1 84727738 FUEFCJZJMKVDOV-AWEZNQCLSA-N 322.453 2.814 0 40 DFAB CN(C)CCCC1CCN(CC[S@@](=O)c2ccccc2)CC1 95452472 HTSCLGIFGKWUSO-QFIPXVFZSA-N 322.518 2.848 0 40 DFAB CC(C)C[C@H](O)CNC(=O)N(Cc1ccco1)c1cccnc1 95409259 IXPLMBRAOBMCAW-HNNXBMFYSA-N 317.389 2.798 0 40 DFAB CCc1nc(CC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cs1 95430006 YUVZSQGPGVXQRF-QLJPJBMISA-N 322.405 2.625 0 40 DFAB COCC[C@@H](Nc1cncc(-n2cccn2)n1)c1ccc(C)o1 95465742 ACDXFRLSHSYDLB-CYBMUJFWSA-N 313.361 2.753 0 40 DFAB CCc1nnc(NCc2cc(OC)c(OC)c(OC)c2)s1 95445161 AFDXUHWQJWSXEV-UHFFFAOYSA-N 309.391 2.738 0 40 DFAB Cc1cc([C@@H]2CCCN2C[C@H](O)COc2ccccc2F)no1 74209590 AYMMBLHYQDQYEO-BBRMVZONSA-N 320.364 2.699 0 40 DFAB Cc1nc(C)c(CCNC(=O)NC[C@]2(C)CCCS2)s1 89559126 UNBQFSGFYMQTQW-AWEZNQCLSA-N 313.492 2.887 0 40 DFAB CO[C@H](C)c1nc(Cc2nc3ccc(C)cc3c(=O)[nH]2)cs1 89657471 JKTDLSHDMKQFMI-SNVBAGLBSA-N 315.398 2.986 0 40 DFAB NC(=O)N1CCC(N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 89857749 UPMYDVPDRJEHGE-OAHLLOKOSA-N 315.417 2.566 0 40 DFAB CC(C)n1nc2c(cc1=O)CN(c1nc3ccccc3o1)CC2 76064324 FDAPOVMBXSHOQE-UHFFFAOYSA-N 310.357 2.528 0 40 DFAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1CC1 76084696 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C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 79349327 YKFDEQFOLPBXHC-RDJZCZTQSA-N 302.422 2.804 0 40 DFAB COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958360 QGMJGLWUDAVQAZ-AWEZNQCLSA-N 307.349 2.784 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(Cl)c1 133124102 SELWIEQXHZIJIL-LBPRGKRZSA-N 312.728 2.670 0 40 DFAB CCC(=O)NCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 83009898 QLVBSEUZXZFOJG-UHFFFAOYSA-N 324.371 2.762 0 40 DFAB CC(C)(CNC(=O)COc1ccccc1CO)c1ccccc1 225578655 KQECYGHKJZOMTF-UHFFFAOYSA-N 313.397 2.652 0 40 DFAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1C 225281099 RIGXFWFEMDWPLQ-CQSZACIVSA-N 313.353 2.573 0 40 DFAB COCc1csc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)n[nH]2)n1 192273641 QXDZJQWTCTUOCQ-IONNQARKSA-N 307.379 2.780 0 40 DFAB O=C(c1ccco1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96105977 QXCNOYWWLSKJAA-HNNXBMFYSA-N 319.401 2.718 0 40 DFAB Cc1cc([C@H](C)NC(=O)N2CCCC3(C2)OCCO3)c(C)o1 95453688 OMSYNMOGGJYEBD-LBPRGKRZSA-N 308.378 2.506 0 40 DFAB CC(C)c1nnc2n1C[C@H](Nc1ncnc3ccccc13)CC2 97199312 DMJDCWPXYNWPTF-GFCCVEGCSA-N 308.389 2.772 0 40 DFAB CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 96227301 DUYFJRUSHJOMCD-WMLDXEAASA-N 319.380 2.594 0 40 DFAB C[C@H](CNC(=O)Nc1cc(Cl)ccc1N(C)C)C[C@@H](C)O 96420241 NSPRVYXMKMSGNS-WDEREUQCSA-N 313.829 2.935 0 40 DFAB Cc1cccc(CN2C(=O)CCC23CCN(C(C)C)CC3)n1 96228289 AUPRYPFTDUYUGA-UHFFFAOYSA-N 301.434 2.755 0 40 DFAB COc1ccc(Cl)cc1[C@@H](C)NC[C@@](C)(O)c1cnn(C)c1 95423107 RBJPMZVNXMESGK-BDJLRTHQSA-N 323.824 2.640 0 40 DFAB CC(C)CC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227698 YBYIQVMQAPNOBC-PBHICJAKSA-N 320.458 2.649 0 40 DFAB O=C(C1CCC1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257219250 DGDLSZAXOITXRY-OAHLLOKOSA-N 312.413 2.986 0 40 DFAB Cc1csc(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)c1 257342824 ZQGYEXAYTNIBNQ-CQSZACIVSA-N 317.414 2.677 0 40 DFAB CNc1cncc([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 257318451 VNZJEMKZFNFHPY-INIZCTEOSA-N 322.416 2.742 0 40 DFAB CCC(=O)N1CCCC[C@@H]1c1cc(-c2nc(C)c[nH]2)nc(C)n1 257285194 PGBAGKQLCLGVGB-OAHLLOKOSA-N 313.405 2.947 0 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C[C@H](NC(=O)CC1CCCCC1)C(=O)N(C)Cc1cscn1 79334794 DIDCIKNUQRGOCB-LBPRGKRZSA-N 323.462 2.577 0 40 DFAB COC(=O)CSc1sc(=S)sc1SCCN 5510943 CENNIHJZSJTWDK-UHFFFAOYSA-N 313.516 2.855 0 40 DFAB C[C@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@@H](C)O1 12145531 PWZCPOHJXVLTNJ-PHIMTYICSA-N 304.321 2.730 0 40 DFAB CCCc1cc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)on1 12192398 VQYFLYQHTOSXJV-HNNXBMFYSA-N 320.776 2.900 0 40 DFAB Cc1cc(C(F)(F)F)c2c(NCc3cnn(C)c3C)n[nH]c2n1 12221478 DRICFPZXWIDUPY-UHFFFAOYSA-N 324.310 2.939 0 40 DFAB C[C@H](NC(=O)NC1CCCCC1)c1nc(-c2cccnc2)n[nH]1 13565307 PTASLIXVQUDNEM-NSHDSACASA-N 314.393 2.560 0 40 DFAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)C 13708782 ASIJQWDOXCZMHN-AWEZNQCLSA-N 300.402 2.675 0 40 DFAB Cc1ccc2cc(CNCc3ccccc3)c3nnnn3c2c1 13998158 IZZRRDGZWLVTGJ-UHFFFAOYSA-N 303.369 2.876 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 19521888 PPRPCPSHJSCZOJ-JTQLQIEISA-N 317.414 2.917 0 40 DFAB Clc1ccc2ncc(-c3cccc([C@@H]4CCCNC4)n3)n2n1 585262790 GIKWPCPEWAGZIV-LLVKDONJSA-N 313.792 2.912 0 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306.387 2.881 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3nnc4ccccn34)on2)cc1 31371185 BPKKVDCSIZQNBI-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB CCN(CCCNC(=O)c1cccc(Cl)c1Cl)C(C)=O 40555959 FIHVLSFDLOSYKY-UHFFFAOYSA-N 317.216 2.982 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCOc2ccccc21 32406445 LIYKJYDVYXUJQK-AWEZNQCLSA-N 321.373 2.936 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N(C)Cc1nccn1C(F)F 32769693 JSTZIIFBDQHYLW-UHFFFAOYSA-N 312.320 2.970 0 40 DFAB CC(=O)c1csc(-c2csc(CN3CCOCC3)n2)c1 76316345 AFRCSCLBRNAOMN-UHFFFAOYSA-N 308.428 2.906 0 40 DFAB Cc1ncc(CN2CCOC[C@@H]2CC(=O)c2cccs2)s1 97096039 JUUSJNXZHYWSJT-LBPRGKRZSA-N 322.455 2.987 0 40 DFAB CCC(C)(C)NC(=O)[C@@H](C)Oc1cc(OC)ccc1C(C)=O 97054623 VPZSEMLOCQVZNH-GFCCVEGCSA-N 307.390 2.970 0 40 DFAB COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 559563 DFCLWHOBFXEMDH-UHFFFAOYSA-N 321.760 2.999 0 40 DFAB CN(C)C(=O)c1cnc(-c2ccncc2)nc1-c1ccccc1 1381895 IIMHBQDJUFCBEY-UHFFFAOYSA-N 304.353 2.907 0 40 DFAB CC(C)[C@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381124 RPPQDHJCVZGLIU-ZDUSSCGKSA-N 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311.746 2.549 0 40 DFAB O=C(Cn1nc(-c2cccs2)ccc1=O)c1ccc(F)cc1 4986577 DOGCMGQESFRZCG-UHFFFAOYSA-N 314.341 2.994 0 40 DFAB CSCc1ccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)cc1 67557025 HLTJUPSOSJRAKH-CYBMUJFWSA-N 318.442 2.961 0 40 DFAB CN(C)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccco1 15831435 QKOGQXABXYQHMY-CQSZACIVSA-N 322.792 2.731 0 40 DFAB CC(=O)Nc1ccc(F)c(NC(=O)CC2(C(=O)O)CCCC2)c1 71798136 KXVCYJXBWBNGLC-UHFFFAOYSA-N 322.336 2.758 0 40 DFAB CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 7506448 AGZKFFKHVBTHFQ-ZETCQYMHSA-N 321.320 2.727 0 40 DFAB COCc1cccc(CN2CCN(c3ncccc3F)CC2)c1 90631892 QQJHJRSNJFFZCD-UHFFFAOYSA-N 315.392 2.689 0 40 DFAB COc1ccc([C@]2(C)NC(=O)N(Cc3ccccc3C)C2=O)cc1 7734594 DURWKWCCNXQQHW-IBGZPJMESA-N 324.380 2.971 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)n2nc(C)cc2C)on1 71830046 WXCQODYCVMKVHQ-KGLIPLIRSA-N 302.378 2.721 0 40 DFAB Cc1csc(CNc2cccnc2N2CCC(CO)CC2)n1 91064891 IXJHWHNCYFPAPO-UHFFFAOYSA-N 318.446 2.667 0 40 DFAB O=c1cc(CNCc2ccccc2Cl)nc2sccn12 8132649 LPYLOTKJJQCPKI-UHFFFAOYSA-N 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308.345 2.568 0 40 DFAB CC[C@@](C)(NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)OC 96451218 PPOGOCCCNLDKMO-PIGZYNQJSA-N 303.358 2.994 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H]2CCOC2)s1 96439425 GWUIUFGUJVRDHX-RYUDHWBXSA-N 311.451 2.753 0 40 DFAB CC(C)C[C@H](N[C@H]1CC[C@@H](C)C1)c1nc(-c2nc[nH]n2)no1 97035060 ZIZDLUOGQKDDBO-WOPDTQHZSA-N 304.398 2.720 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 96039330 YRXNVQADONDFKO-SJORKVTESA-N 308.422 2.699 0 40 DFAB CCc1nc(C[S@](=O)Cc2ccc(OC)c(Cl)c2)no1 95448465 XRIWTXPAUJZKCX-FQEVSTJZSA-N 314.794 2.743 0 40 DFAB CCc1oc2ccccc2c1CN[C@@H]1CCc2nnc(C)n2C1 97199454 FNSNQRYKDYTRHZ-CYBMUJFWSA-N 310.401 3.000 0 40 DFAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 96685545 GHFIJDMORSWUBD-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB O=C(C1CC1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96111042 NBYVAIXSTWWUJP-AEFFLSMTSA-N 300.402 2.637 0 40 DFAB c1cc2n(n1)[C@H](COCC1CC1)CN(Cc1ccsc1)C2 247925185 ARUXWTJYKNBXOV-INIZCTEOSA-N 303.431 2.928 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccncn3)cc2[nH]1 257264466 LUNAKFKWUZGEHQ-MRXNPFEDSA-N 307.357 2.639 0 40 DFAB O=C(c1cncs1)N1CCCC[C@H]1c1ccn2ccnc2n1 257214463 CMCNIHVVZNZLGM-LBPRGKRZSA-N 313.386 2.553 0 40 DFAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2nccs2)nc1 257273036 NEYGROIAPGTFBT-OAHLLOKOSA-N 316.430 2.511 0 40 DFAB CCc1ocnc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 265732765 YHFMRIZVYLKESZ-UHFFFAOYSA-N 317.389 2.567 0 40 DFAB CO[C@@]1(COc2cccc(C)c2)CCN(Cc2c[nH]nc2C)C1 585273347 CETLMUSHPYBJBQ-SFHVURJKSA-N 315.417 2.696 0 40 DFAB Cn1nccc1/C=C/C(=O)N1CCC2(CC1)CCC(C)(C)OC2 585290593 FUTYVJJPSIQXOO-SNAWJCMRSA-N 317.433 2.631 0 40 DFAB O=C(/C=C/c1cc2ccccc2o1)N1CCN(C(=O)C2CC2)CC1 25589512 OSTROEZRXAPZPD-BQYQJAHWSA-N 324.380 2.527 0 40 DFAB CC[C@H](C)N1C[C@]2(CCCN(CCc3ccccc3)C2)C1=O 585099573 QQJZTMQRJLMRKF-QFBILLFUSA-N 300.446 2.952 0 40 DFAB O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[C@]2(CCCO2)C(=O)C1 585290013 YXUVPYSNSIEWKK-LJQANCHMSA-N 324.380 2.646 0 40 DFAB C[C@@H](NC(=O)c1cccs1)c1ccccc1NS(C)(=O)=O 43283857 ISSOXRWRLLIUCH-SNVBAGLBSA-N 324.427 2.611 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)CN(C)c2ccccc2)cc1 52857425 FVVZBQFJMKXZPY-UHFFFAOYSA-N 311.385 2.744 0 40 DFAB O=C(NCCSC(F)(F)F)c1cc(-c2cccnc2)on1 53571352 UEGJINXKTOUIRO-UHFFFAOYSA-N 317.292 2.719 0 40 DFAB CN(C)c1ccccc1CN1CCCC[C@H]1CN1CCCC1=O 72631117 LBKCWRKSHBCTEZ-KRWDZBQOSA-N 315.461 2.730 0 40 DFAB CC[C@H](CCO)CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C 89943273 QHTHGQGDZFLEDF-HUUCEWRRSA-N 316.486 2.924 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2ccc(OC)cc2OC)s1 147344 FPGSRLRVNGBCSS-SOFGYWHQSA-N 319.386 2.770 0 40 DFAB CCC(=O)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182090 BTLSKTNDHXUPGV-UHFFFAOYSA-N 311.357 2.633 0 40 DFAB CCOc1ccc2nc(NC(=O)CN3CCCC3)sc2c1 13561941 DLIJSZCSCYNHKC-UHFFFAOYSA-N 305.403 2.729 0 40 DFAB CC(=O)Oc1nc(CCc2ccccc2)nn1-c1ccccc1 3845660 OXYOUCLZNVTXOO-UHFFFAOYSA-N 307.353 2.978 0 40 DFAB biogenic CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nccs3)n2)C1 643550253 AXUZHSQZAIRMIK-LBPRGKRZSA-N 317.418 2.711 0 40 DFAB Cc1cnccc1OCC1CCN(c2ncc(F)cn2)CC1 1889090995 ZODNCHZQXFCRBG-UHFFFAOYSA-N 302.353 2.615 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1142541248 ALYXYODILTVUPK-BPQIPLTHSA-N 307.434 2.777 0 40 DFAB CCSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165141 BQJPTNKFKMCVSN-UHFFFAOYSA-N 316.386 2.921 0 40 DFAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1cccs1 10324640 KTVVTUCTOQJCHN-UHFFFAOYSA-N 315.354 2.607 0 40 DFAB O=C(NCc1n[nH]c(=S)n1Cc1ccccc1)c1ccccc1 13524412 LNRUWHZVPZWHHF-UHFFFAOYSA-N 324.409 2.919 0 40 DFAB O=C([C@@H]1CCCN(Cc2ccccn2)C1)N1CCC(F)(F)CC1 2298187956 WOCKFMVFFJPGHD-CQSZACIVSA-N 323.387 2.551 0 40 DFAB CC(C)c1noc(CN2CCC[C@@H](COc3nccs3)C2)n1 2298188669 IVLYAVCBNRYQQS-GFCCVEGCSA-N 322.434 2.941 0 40 DFAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccn(C)c(=O)c1 30556633 ICHJSYAALOQHIB-UHFFFAOYSA-N 306.365 2.811 0 40 DFAB COc1ccc(OC)c([C@H](O)CNC(=O)c2sccc2C)c1 31339363 QSDXJOGEXJHSAV-CYBMUJFWSA-N 321.398 2.537 0 40 DFAB O=C(NC1CCCCCCC1)C1CCN(C(=O)C2CC2)CC1 40459729 OVJDGYMORRFLFA-UHFFFAOYSA-N 306.450 2.864 0 40 DFAB Cc1c(C)n(-c2ccccn2)c2ncn(Cc3ccco3)c(=N)c12 101029934 VVWNYZOYDDKOCW-UHFFFAOYSA-N 319.368 2.960 0 40 DFAB CCOc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1OC 32675845 TWAKVSZZFJFMMN-UHFFFAOYSA-N 303.362 2.697 0 40 DFAB COc1cc(OC)c(C(=O)Nc2ccc(O)cc2)cc1OC 365269 NJFXGXMRKGFMQB-UHFFFAOYSA-N 303.314 2.670 0 40 DFAB Cc1csc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1 21482954 OCSUNPNSUXUAOA-LLVKDONJSA-N 322.817 2.972 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N1CCC(c2nc3ccccc3o2)CC1 21915557 VZZZPUFPSQIQMJ-UHFFFAOYSA-N 323.352 2.536 0 40 DFAB CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 144622 MNDWFIDXEIYGON-JTQLQIEISA-N 320.414 2.679 0 40 DFAB C[C@@H]1CCc2nc(NC(=S)NC[C@@H]3CCCO3)sc2C1 2766743 SPDZCJPJFDWEDE-ZJUUUORDSA-N 311.476 2.733 0 40 DFAB CCc1c(C)sc2ncn3nc(Cn4ccc(C)n4)nc3c12 2809358 BLCALGGRJCBXSU-UHFFFAOYSA-N 312.402 2.763 0 40 DFAB C[C@@H](C1CC1)N(C(=O)Cn1ccc(=O)c2sccc21)C1CC1 78988076 YJDXCGHMPGMTIK-NSHDSACASA-N 316.426 2.853 0 40 DFAB CSc1ccc(OCCn2cnc3ncccc3c2=O)cc1 78958288 JNCRFCKRAXQXOP-UHFFFAOYSA-N 313.382 2.592 0 40 DFAB COC[C@@H](NC(=O)c1c(C)c2ccccc2oc1=O)C(C)C 79069937 FQJGJTDORGSTKU-CYBMUJFWSA-N 303.358 2.502 0 40 DFAB O=C(N[C@@H]1CCCCNC1=O)c1cc(C2CC2)nc2ccccc12 47212455 QFRRFCUYXDHTSN-MRXNPFEDSA-N 323.396 2.511 0 40 DFAB CCOCc1nnc(NC(=O)CSCc2ccccc2)s1 4383578 OWDPQAYRQRHBNU-UHFFFAOYSA-N 323.443 2.947 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCCCc1ccccc1 4832171 KOYFQSLTABANRV-TWMKSMIVSA-N 313.397 2.648 0 40 DFAB CCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)C[C@H]1C 4856003 ULZDTMZTPPIPRZ-GFCCVEGCSA-N 306.381 2.866 0 40 DFAB COc1ccccc1C(=O)N[C@H](C)[C@H]1COc2ccccc2O1 4954535 DNOBGPNWBPVRSB-SJKOYZFVSA-N 313.353 2.654 0 40 DFAB O[C@@H](c1ccccc1)c1ccccc1CN1CCCNC1=S 6575597 DGKAMKSHNCPFPY-KRWDZBQOSA-N 312.438 2.849 0 40 DFAB Cc1nc(S[C@H](C)C(=O)NC(N)=O)n(C2CCCCC2)c1C 6973390 FRIXQWJLYPPECE-LLVKDONJSA-N 324.450 2.681 0 40 DFAB COc1ccc(C(=O)CSc2nnc(N)s2)cc1Cl 7132219 DYWMWPQPBJTCKJ-UHFFFAOYSA-N 315.807 2.757 0 40 DFAB Cc1ccc(N2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)nn1 107711964 UIFQNMIMHHGLOL-WMZOPIPTSA-N 317.433 2.587 0 40 DFAB COc1cc(CNC[C@H](C)O)ccc1OCc1cccs1 8498002 YJOZMYMSBVXUTN-LBPRGKRZSA-N 307.415 2.806 0 40 DFAB CC(C)(C)c1noc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1 23944383 DAIOFACDUNHBEG-FOSCPWQOSA-N 320.389 2.806 0 40 DFAB COCc1cc(C(=O)NCC2(Cc3ccccc3)CCC2)no1 95411390 JLKIZIHFTXHMCN-UHFFFAOYSA-N 314.385 2.964 0 40 DFAB CCC(=O)N(CCCN1CCOCC1)c1cccc(Cl)c1 20437086 XJRQDTRWMCCYPO-UHFFFAOYSA-N 310.825 2.805 0 40 DFAB COc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 9910280 VYYLCKFPJQOCTK-UHFFFAOYSA-N 304.733 2.926 0 40 DFAB COC(=O)N1CCC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 95453280 JFSHPDJLVFSYCH-JTQLQIEISA-N 310.785 2.650 0 40 DFAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 57547530 GGXXPXMHSCFNRV-LBPRGKRZSA-N 310.353 2.851 0 40 DFAB O=C(O)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 108493744 QLODXDGFKAVEAY-XQQFMLRXSA-N 323.339 2.924 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H]1c1ccsc1 48263034 OMTQIKRBXBKIPP-BXUZGUMPSA-N 318.398 2.823 0 40 DFAB COc1ccc(N(C)C(=O)c2ccn(-c3ccccc3)n2)cn1 58270161 JXEXVRAZNIXCMJ-UHFFFAOYSA-N 308.341 2.553 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1COc2ccccc21 58244668 NRXQZEBMDIIPOL-OAHLLOKOSA-N 320.348 2.909 0 40 DFAB COC(=O)c1cc(NC(=O)COc2cccc(C)c2)ccc1F 12740322 WYKCPFKGUPHIAT-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COC[C@@H](C)N(C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C 44970043 LGSUJMNLRUEHOX-LLVKDONJSA-N 318.421 2.507 0 40 DFAB CC(C)(C)c1noc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)n1 58345061 PCGDBYBBCLFWIB-ZIAGYGMSSA-N 323.437 2.527 0 40 DFAB O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(CC1CC1)C2 108527432 AQOWBEHWOXOZHV-GDBMZVCRSA-N 312.404 2.803 0 40 DFAB Fc1cc(CN2CCn3c(nnc3C3CC3)C2)c2ncccc2c1 84493641 OIDZDASIAWKBCA-UHFFFAOYSA-N 323.375 2.859 0 40 DFAB Cc1c(C)n(C[C@H](O)CNC[C@@H]2CCCO2)c2ccc(F)cc12 28297180 IQQFXGBJTGSHAZ-CVEARBPZSA-N 320.408 2.527 0 40 DFAB CC(=O)N1CCc2c(sc(N)c2C(=O)c2ccc(C)cc2)C1 95348285 PYQOTDPPUZKCKL-UHFFFAOYSA-N 314.410 2.774 0 40 DFAB in-vitro CCC[C@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O 2367393 VDCAVQHFHCNMJY-LLVKDONJSA-N 307.346 2.693 0 40 DFAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)C(C)(C)C)cc1 4545234 MCMMJKDUXAYWQX-UHFFFAOYSA-N 305.374 2.872 0 40 DFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1F 5511334 UZEYWBVFCPEORB-UHFFFAOYSA-N 304.296 2.676 0 40 DFAB CCC(CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731843 JBVNAWAOZXLNRD-LLVKDONJSA-N 308.809 2.998 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1C[C@H]1c1cccnc1 84613309 WAVWJWJJATYOCF-NWDGAFQWSA-N 323.381 2.737 0 40 DFAB Cc1c(C(=O)NCC2CCC2)nnn1-c1cccc2ncccc12 66760265 NFUJAGSRDDPWQX-UHFFFAOYSA-N 321.384 2.654 0 40 DFAB CC[C@H](C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1 5837415 UPSUCWNCZGRLAT-AWEZNQCLSA-N 323.348 2.977 0 40 DFAB Cc1cc(C)n2cc(Cn3c(=O)sc4ccccc43)nc2n1 96480827 LGXJIKRGFXEARB-UHFFFAOYSA-N 310.382 2.771 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1(C)C 80604424 CTAVJCQWVIABSY-SUYBPPKGSA-N 305.422 2.988 0 40 DFAB CCOCCCNC(=O)CSc1nc2ccccc2s1 7776997 LUHITIDKRHLXEZ-UHFFFAOYSA-N 310.444 2.931 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccccn3)cc2C)CC1 16725151 NTBGAYMZKDDIHX-UHFFFAOYSA-N 324.428 2.784 0 40 DFAB CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O 69568950 QAYJJVCELATFJG-UHFFFAOYSA-N 324.324 2.671 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 69560053 XIUFQWTVJHQZAD-SMDDNHRTSA-N 313.323 2.614 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)cn1 69893850 QVBVUWGTFKJNPE-KRWDZBQOSA-N 308.385 2.739 0 40 DFAB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3ccccn3)o2)N1 408987772 BZJQLDAQLSTION-QPUJVOFHSA-N 308.384 2.614 0 40 DFAB Cc1cc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c(C)o1 71819475 CYQPAGDRDDDAEY-CQSZACIVSA-N 313.401 2.810 0 40 DFAB CCN(C)c1ccccc1NC(=O)CNC(=O)OC(C)(C)C 71896710 MGEMEXBKYRFYJI-UHFFFAOYSA-N 307.394 2.606 0 40 DFAB Cc1ccc(OCCn2cc(C(=O)C(N)=O)c3ccccc32)cc1 408576533 XOWPRSSWSMZOBS-UHFFFAOYSA-N 322.364 2.697 0 40 DFAB CN(C)C[C@@H]1CN(Cc2csc(C3CCCC3)n2)CCO1 71878823 QJVQWJLSMXKEFY-OAHLLOKOSA-N 309.479 2.563 0 40 DFAB Cc1ccccc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 71858745 LTVUKSGXMWYKPY-UHFFFAOYSA-N 310.332 2.849 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C)cc1=O)CCS2 95405566 XMOPCMLMOVHPGP-AWEZNQCLSA-N 314.410 2.959 0 40 DFAB CC[C@H](CO)Nc1ncc(C(=O)NC2CCCC2)cc1Cl 95401985 CCXIOCHMRMJQTJ-LLVKDONJSA-N 311.813 2.590 0 40 DFAB CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cnn(C)c2C)CCO1 97048326 XPWLCCNEMCMPCF-CVEARBPZSA-N 322.453 2.512 0 40 DFAB COC(=O)c1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)oc1C 97034992 AREMRIHWIJNXFM-CVEARBPZSA-N 317.389 2.845 0 40 DFAB Cc1ccn2c(=O)c(C(=O)Nc3c(C)cc(C)nc3C)cnc2c1 97037030 GHDOAKPSAMKENQ-UHFFFAOYSA-N 322.368 2.575 0 40 DFAB COCCn1ccc(NC(=O)Nc2cccc(Cl)c2F)n1 97109210 PMJZUGSWRFFQNI-UHFFFAOYSA-N 312.732 2.966 0 40 DFAB CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72300272 SRGGPVNAGOEUQJ-CYBMUJFWSA-N 313.405 2.645 0 40 DFAB Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)C2CC2)c(C)s1 73736627 MNDNBEDDCAIPEG-IAQYHMDHSA-N 320.458 2.943 0 40 DFAB O=C(C[C@H]1CCCN1C(=O)[C@@H]1CCCOC1)c1ccccc1 85482280 JJXMLWFEGNNAIX-HZPDHXFCSA-N 301.386 2.677 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nccs1 95946803 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CC(=O)N1CCN(c2ccc(OC(=O)OC(C)(C)C)cc2)CC1 78573878 FRQQIPDQZLJCSG-UHFFFAOYSA-N 320.389 2.669 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccc(Br)cc2)C[C@H](C)O1 36108394 NOVVOAJSVRVRGX-MJVIPROJSA-N 313.239 2.558 0 40 DFAB CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccccc1 32779559 LFWDILYKFWNIEU-UHFFFAOYSA-N 311.429 2.960 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(N)c1 216934248 JLEIGSQKDMVMNP-UHFFFAOYSA-N 306.387 2.777 0 40 DFAB CNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 72949879 GOLFBPMGLUQKPO-UHFFFAOYSA-N 322.206 2.670 0 40 DFAB NCC(=O)N1CCC(c2cccc(Oc3ccccc3)n2)CC1 72384458 LOONMHNMMFPLND-UHFFFAOYSA-N 311.385 2.539 0 40 DFAB Cc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]1 130226345 VSAAZBBIZOYRNB-CYBMUJFWSA-N 321.421 2.761 0 40 DFAB O=C(O)c1ccc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1 574770711 KSCGJAAWADFUDI-HOTGVXAUSA-N 317.410 2.654 0 40 DFAB O=C(O)C1CCC(NC(=O)C2(c3cccc(F)c3)CC2)CC1 195541998 SCNSUGGWNWLRFW-UHFFFAOYSA-N 305.349 2.617 0 40 DFAB CC(C)N1CCn2c(COCC3CCOCC3)cnc2[C@H]1C 96109804 BAHANTTWALNWMT-CQSZACIVSA-N 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DFAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCC[C@H]1CO 96422050 WZZWPLCPFVBMAP-LBPRGKRZSA-N 320.780 2.514 0 40 DFAB C[C@H](c1ccccc1)N(C)CC(=O)NCCOc1ccccc1 16695619 KWTSRUJQBZFNSA-MRXNPFEDSA-N 312.413 2.875 0 40 DFAB CCOc1ccc(CN(C)C(=O)COc2ccc(C)nc2)cc1 70038182 VUVFJNPDPGWKOS-UHFFFAOYSA-N 314.385 2.826 0 40 DFAB CCCNC(=O)[C@@H](C)N1CCC(OCc2ccccc2)CC1 69385995 VNXKUNDIQPLAGA-OAHLLOKOSA-N 304.434 2.582 0 40 DFAB CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1NCCO 72337456 UPOITKHVCSUJLE-UHFFFAOYSA-N 314.389 2.881 0 40 DFAB Cc1ccc(-c2cc(CN3CCn4c(C)nnc4C3)on2)cc1 69451169 OCWYDUDXEIYHQT-UHFFFAOYSA-N 309.373 2.566 0 40 DFAB c1ccc(OC2CCCC2)c(CN[C@H]2CCc3ncnn3C2)c1 69488732 JZKHJBQRXYUDBV-HNNXBMFYSA-N 312.417 2.704 0 40 DFAB C[C@H](CCC(=O)O)NC(=O)CSc1ccccc1Cl 70310860 BFKUWTGBARWEMK-SECBINFHSA-N 301.795 2.802 0 40 DFAB CCN1CCN(C2CCN(C/C=C/c3ccccc3)CC2)C1=O 69737482 YJXWFPYJERJNQA-RMKNXTFCSA-N 313.445 2.922 0 40 DFAB O=C(CSCc1ccccc1)NCC(=O)c1cccs1 71890077 DZJUTSSVCMKHAV-UHFFFAOYSA-N 305.424 2.980 0 40 DFAB NC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 71890980 QSJOUQFTEBNRMH-UHFFFAOYSA-N 319.364 2.962 0 40 DFAB CCCC[C@H](Sc1nnc2cc(C)nc(C)n12)C(=O)OC 71922138 NBYCYLACQJWGCT-NSHDSACASA-N 308.407 2.565 0 40 DFAB CCOC(=O)CN(CC(C)C)C(=O)Cc1ccccc1Cl 95350007 FVDOAZDJDZPZTO-UHFFFAOYSA-N 311.809 2.930 0 40 DFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(F)cc1 9725017 OUTAYCKXQAQOLU-GOSISDBHSA-N 310.328 2.719 0 40 DFAB Cc1nc2ccc(N(C)C(=O)c3ccc(CN)o3)cc2s1 97019910 IRNJYNDYAJDABX-UHFFFAOYSA-N 301.371 2.933 0 40 DFAB Cc1ccc(-c2ccc(C(=O)OC[C@H]3CNC(=O)C3)s2)o1 97081487 BYHBABHTQMDMQQ-SNVBAGLBSA-N 305.355 2.609 0 40 DFAB COC(=O)c1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)oc1C 97034993 AREMRIHWIJNXFM-HOTGVXAUSA-N 317.389 2.845 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3cccs3)C2)n1 72291680 SDDYDMZSAWYFSY-BXUZGUMPSA-N 318.446 2.924 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H]1[C@H]1CCCN1C 72234482 XQRYFXYUUXSVKO-SJORKVTESA-N 316.445 2.631 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3nncn3c2)c1 84241255 MUZBPKAUVLXJIY-UHFFFAOYSA-N 310.357 2.985 0 40 DFAB Cc1n[nH]cc1CNC1CCN(Cc2ccc(F)c(F)c2)CC1 97159420 CCKZUAFVYDMEJS-UHFFFAOYSA-N 320.387 2.751 0 40 DFAB CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)n1 97161965 WHLPXMIONBUQDM-BFHYXJOUSA-N 313.467 2.554 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1ccc3c(c1)OCCO3)CCC2 95402053 YTUFFQDBOYALTO-HNNXBMFYSA-N 313.401 2.630 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC23CCOCC3)cc1 95407328 PSMDBMOMTVNQEF-RHSMWYFYSA-N 317.429 2.901 0 40 DFAB O[C@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccc(F)cc1 95418277 NILYXWHLSLCQSU-MRXNPFEDSA-N 324.359 2.866 0 40 DFAB O[C@@H]1CCCn2nc(-c3nc(-c4ccc(F)cc4)no3)cc21 73640594 ZDBKOCUWBLUGOQ-CYBMUJFWSA-N 300.293 2.566 0 40 DFAB C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 95981684 YAZHQDHTCWXUQY-SIUPPRGNSA-N 314.429 2.951 0 40 DFAB CC[C@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccncc1 74441163 POWUNZYVMZPXGX-LBPRGKRZSA-N 323.347 2.966 0 40 DFAB CCN(Cc1ccoc1)C(=O)NCC1(SC)CCOCC1 74737990 QTZFQARNPQZWHF-UHFFFAOYSA-N 312.435 2.723 0 40 DFAB C[C@@H]1CN(C(=O)Nc2cnsn2)CC[C@H](c2ccccc2)O1 1553301358 DSTKTWWOXKIQRK-DGCLKSJQSA-N 318.402 2.922 0 40 DFAB CC1(C)C[C@@H](NC(=O)CCCCCNc2ncccn2)CCO1 79191697 OOTQSCKXHOHVJI-AWEZNQCLSA-N 320.437 2.523 0 40 DFAB biogenic Brc1cccc(Cc2noc(-c3cnccn3)n2)c1 78774990 WZSAVECLJFCRQP-UHFFFAOYSA-N 317.146 2.880 0 40 DFAB CC(=O)N1CCN(c2cc(C)c(SC(C)(C)C)cn2)CC1 72223745 AHJSEWGHTNUEPS-UHFFFAOYSA-N 307.463 2.949 0 40 DFAB COCCCNC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917129 UAXAUOZZQIWJOR-UHFFFAOYSA-N 314.389 2.603 0 40 DFAB CCN(CC)C(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C 226851828 PWLVHSVOQZXJIJ-CQSZACIVSA-N 301.390 2.816 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C1 226755079 ZACLJXKWRADWBE-QWHCGFSZSA-N 301.390 2.599 0 40 DFAB Cc1ccc(F)c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)c1 195551251 GHKDIWOLNYWCQZ-HNNXBMFYSA-N 319.307 2.699 0 40 DFAB CCOc1ccccc1CNC(=O)COc1ccccc1OC 44883506 NCNYYORGSQBIRJ-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB COC(=O)c1cc(Br)cc(OC2CCOCC2)c1 575444440 MHPDAOILHDAWGM-UHFFFAOYSA-N 315.163 2.794 0 40 DFAB C[C@H](CN(C(=O)[C@H]1CCc2cc(F)ccc21)C1CC1)C(=O)O 573387239 DLPOAZVNNNMSOM-BMIGLBTASA-N 305.349 2.567 0 40 DFAB Cc1nc2c(Nc3cnn(Cc4cccc(F)c4)c3)ncnc2[nH]1 41121259 HTFZALZUGWMTCB-UHFFFAOYSA-N 323.335 2.789 0 40 DFAB Oc1ccc(CN2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 96090684 JZAOKHZKTHHCJX-RTBURBONSA-N 308.425 2.956 0 40 DFAB CO[C@H](CNC(=O)NCc1cc(C)on1)c1ccc(Cl)cc1 96439465 QKHFOHIHLPRRDT-CQSZACIVSA-N 323.780 2.823 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2NCCn1cnnc1C1CC1 90032472 PFLGWOYCTISMBK-QGZVFWFLSA-N 312.417 2.831 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(Cc2ccoc2)C3)cs1 96070941 RNEMLVQKLCWXBG-UHFFFAOYSA-N 303.431 2.752 0 40 DFAB Cc1cc(CNC(=O)NC[C@@](C)(O)c2cccs2)c(C)o1 96417772 WGJUKIUHCHISFW-OAHLLOKOSA-N 308.403 2.665 0 40 DFAB c1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1 96059309 KQPOPMDKYSIBIH-UHFFFAOYSA-N 309.413 2.962 0 40 DFAB C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@@H](C(=N)O)[C@H](C)c1ccccc1 330625261 SSEOZIAFXLCRFR-PGKPSXLWSA-N 304.390 2.624 0 40 DFAB CCN1CC[C@@H](N(C)C(=O)Cc2ccc(O)cc2Cl)[C@H](C)C1 97059436 LILUTSOTPKWOJL-MLGOLLRUSA-N 324.852 2.777 0 40 DFAB O[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1F 97200665 FPSLOCIIMRDWCA-RHSMWYFYSA-N 315.392 2.688 0 40 DFAB O[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 97200645 KNENPSDASRINBO-YOEHRIQHSA-N 315.392 2.688 0 40 DFAB C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@H]2OCC(F)(F)F)O1 253370970 YWJKGAUZZKEJLW-YVECIDJPSA-N 323.355 2.808 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)n1 257241910 IAFDLFWLTPSEMO-CYBMUJFWSA-N 318.446 2.740 0 40 DFAB COc1ncc(CN2CCC[C@H](Cc3cccc(C)n3)C2)cn1 257278624 OCYUWEYKJVQISH-OAHLLOKOSA-N 312.417 2.643 0 40 DFAB O=C(c1noc2c1CCCC2)N1CCCC[C@H]1c1ccn[nH]1 257220100 DJNGBFGJKRLBEL-ZDUSSCGKSA-N 300.362 2.644 0 40 DFAB CCCn1cc(NCc2cnn(CC(F)(F)F)c2)c(C)n1 256053817 TULASCWOSCIJTF-UHFFFAOYSA-N 301.316 2.972 0 40 DFAB CC(C)(COCc1ccccc1)NC(=O)NCc1cscn1 252498334 QYXZFOGJGXTZOT-UHFFFAOYSA-N 319.430 2.938 0 40 DFAB O[C@H]1CCN(Cc2cscn2)CC[C@@H]1Oc1ccc(F)cc1 257223773 DYUJZRORPIGRMM-HOTGVXAUSA-N 322.405 2.687 0 40 DFAB CCOc1ccc(CN2CCC[C@@H]2c2nc(C)c[nH]2)cc1CO 257269135 MOSKSQGWIBRPPB-MRXNPFEDSA-N 315.417 2.946 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2cnn(C(C)(C)C)c2)no1 375831398 NJKAXCWANXOUAX-ZDUSSCGKSA-N 303.410 2.921 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCn2nc(C3CC3)cc2C1 390831207 QLHOTQMAXSHJJI-UHFFFAOYSA-N 318.380 2.965 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCCCNc2ccccn2)o1 43721163 QZYVEJLEGZQIQI-ZDUSSCGKSA-N 302.378 2.845 0 40 DFAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2ccc(C)cc2)n1 44289089 AYNJCDIWXVGGFM-GFCCVEGCSA-N 302.378 2.572 0 40 DFAB CCC(=O)Nc1ccc([C@H](C)NC(=O)C[C@@H]2CCCO2)cc1 47107840 ONVLPEYFPIROPC-WFASDCNBSA-N 304.390 2.781 0 40 DFAB O=C(Cc1csc(-c2ccco2)n1)N1CCO[C@@H]2CCC[C@H]21 53384247 UVILYEFLTRZCCG-CHWSQXEVSA-N 318.398 2.726 0 40 DFAB CC(C)OCc1cc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1F 76050903 JPXUMNYMRGXKBC-DYVFJYSZSA-N 322.424 2.773 0 40 DFAB c1ccc2c(c1)CC[C@H](CNc1cc(-n3ccnc3)ncn1)N2 77217162 RLURMWYICVUCHJ-CQSZACIVSA-N 306.373 2.501 0 40 DFAB CCCn1c(SC[C@H]2CCOC2)nc2ccccc2c1=O 193219515 CBFXTSHIFMHWIX-LBPRGKRZSA-N 304.415 2.935 0 40 DFAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)O)CCOCC3)C2)cc1 19208899 ZUEHFLXJMHQPAS-CQSZACIVSA-N 303.358 2.760 0 40 DFAB Cc1cccc2c(C[C@H](C)NC(=O)COc3ccccn3)c[nH]c12 19236626 OJEFPFHCXAKXFE-AWEZNQCLSA-N 323.396 2.998 0 40 DFAB Cc1ncsc1-c1nnc(CNC(=O)c2ccccc2F)o1 19563297 BHUMRDAWFZWZGA-UHFFFAOYSA-N 318.333 2.571 0 40 DFAB CCCc1nnc(S/C(=C\c2ccc(O)cc2)C(=O)O)[nH]1 7342223 HMIJHIQWCZLDNU-FLIBITNWSA-N 305.359 2.681 0 40 DFAB CC(=O)NC(=S)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354409 BIQQJSCMFNHOHF-UHFFFAOYSA-N 307.158 2.525 0 40 DFAB O=C(O)[C@H]1CN(c2ncccc2C(F)(F)F)CC12CCC2 575606850 FXCGCBVAPYKWLR-SNVBAGLBSA-N 300.280 2.792 0 40 DFAB CCCn1nc(C(=O)Oc2c(C)cc(C)cc2C)ccc1=O 22922121 NYAMLVZBFDLEJB-UHFFFAOYSA-N 300.358 2.798 0 40 DFAB O=C(O)COc1cc(Br)cc(Br)c1 1600217 BPRVCXMJWDJILK-UHFFFAOYSA-N 309.941 2.675 0 40 DFAB Cc1cc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)nc(C)n1 2087127705 FKUAJFPTCYDBIW-AWEZNQCLSA-N 304.438 2.567 0 40 DFAB CCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 212299 UQTGHDHVCXHTKE-JOCHJYFZSA-N 321.377 2.512 0 40 DFAB COc1cccc(N2C[C@H](NC(=O)c3ccc(C)cc3)CC2=O)c1 5194714 OLLLOVCWIGKPRW-OAHLLOKOSA-N 324.380 2.539 0 40 DFAB O=C(NCc1nnc2ccccn12)Nc1cccc2c1CCCC2 40477707 JCUZOBBGLKMWQN-UHFFFAOYSA-N 321.384 2.930 0 40 DFAB O[C@H](COCc1ccccc1)CN1CCC[C@H](C(F)(F)F)C1 40459043 LYHWADLVONSVFH-GJZGRUSLSA-N 317.351 2.838 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100641399 WNAWNHNQFKZKPV-UNEWFSDZSA-N 302.393 2.772 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CCCNC(=O)C1CC1 40536043 DVRHBBONKRCPOC-GFCCVEGCSA-N 322.836 2.694 0 40 DFAB Nn1c(Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 346249 WNRRMNQOXSDVCN-UHFFFAOYSA-N 312.398 2.794 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc3ccccn23)C1 21740243 ACSCTWBOVUSHBV-JHJVBQTASA-N 318.446 2.714 0 40 DFAB Cc1ccc(SCCN[C@H](C(N)=O)c2ccccc2)cc1 32903021 PZBHGQHEBGPYRE-INIZCTEOSA-N 300.427 2.903 0 40 DFAB C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@@H]1CCCO1 41374976 PEHAYGDQASBNKV-JSGCOSHPSA-N 315.373 2.708 0 40 DFAB Nc1nc(-c2ccc3c(c2)OCCCO3)cc(C(F)(F)F)n1 146922 NISKCTNAMXUPLM-UHFFFAOYSA-N 311.263 2.906 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 268481 DMHGATYYUBUBTN-UHFFFAOYSA-N 304.375 2.872 0 40 DFAB Cc1nc(NC(=O)C(C)C)ccc1I 360162 UPIHIVHEKQXPOS-UHFFFAOYSA-N 304.131 2.589 0 40 DFAB CN1C(=O)[C@@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 1320300 UPAOFNIKAUXDDD-QGZVFWFLSA-N 315.756 2.777 0 40 DFAB CCCNC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2628206 YOCOBQUCSCAYFO-UHFFFAOYSA-N 314.172 2.842 0 40 DFAB CC[C@H]1CCCCN1C(=O)COc1ccccc1NC(C)=O 3323547 OAJKKAYCUDTERB-AWEZNQCLSA-N 304.390 2.815 0 40 DFAB O=C1Nc2ccc(Br)cc2[C@@]1(O)Cc1ccccc1 4722717 FUUOMXUCIJUCDR-HNNXBMFYSA-N 318.170 2.832 0 40 DFAB Cc1ccc(Nc2nc3[nH]nc(N)c3c3c2CN(C)CC3)cc1 5207442 UAVNKPQIWIDVTM-UHFFFAOYSA-N 308.389 2.580 0 40 DFAB CCc1nnc(NC(=O)CSCc2c(C)noc2C)s1 5509102 LYIBNWVBVDFLES-UHFFFAOYSA-N 312.420 2.577 0 40 DFAB Cc1oc(CSc2nnnn2-c2ccccc2)cc1C(=O)O 5536703 QJLSPVWVBBPWKI-UHFFFAOYSA-N 316.342 2.554 0 40 DFAB O=C(c1ccccc1)[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 5602008 VBTRZHCQMRSRTK-WBVHZDCISA-N 320.348 2.691 0 40 DFAB C[C@@H](OC(=O)CCc1ccco1)c1nc2ccccc2c(=O)[nH]1 5982838 VMYNJULHNRBMIZ-LLVKDONJSA-N 312.325 2.753 0 40 DFAB CCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 6323987 MJFWVMAGWUCYJE-XYOKQWHBSA-N 321.354 2.596 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1oc2ccc(OC)cc2c1C 7724430 SALIVBMGMZXIPD-ZDUSSCGKSA-N 316.401 2.964 0 40 DFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1F 7748057 NQDKZNLFFFIGAH-UHFFFAOYSA-N 301.104 2.572 0 40 DFAB CCCCNC(=O)COc1cc(C)nc2ccc(OC)cc12 8217102 WDLFCOBBXOMOJS-UHFFFAOYSA-N 302.374 2.847 0 40 DFAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1 8985159 GDANBYQCZLCVMG-CYBMUJFWSA-N 319.430 2.663 0 40 DFAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(C)cnc3c12 9483575 IDIUMMXJQIBNBD-UHFFFAOYSA-N 308.366 2.914 0 40 DFAB Cc1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)o1 11594476 WTBBPHXZMWJIHY-SNVBAGLBSA-N 303.387 2.838 0 40 DFAB COC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1 12440374 MKYJWOQVOTTWMP-UHFFFAOYSA-N 321.358 2.511 0 40 DFAB COc1ccc(-n2ccnc2SCC(=O)N2CCCC2)cc1 12531039 PULXVDLOGIOVND-UHFFFAOYSA-N 317.414 2.595 0 40 DFAB Cc1cccc(NC(=O)CCn2cnc3sccc3c2=O)c1 12748108 GGFCDQOVADUKOG-UHFFFAOYSA-N 313.382 2.795 0 40 DFAB COC(=O)CN(C)C(=O)CCCOc1ccc(C(C)(C)C)cc1 13000187 FCMSXFLAVKKDKL-UHFFFAOYSA-N 321.417 2.775 0 40 DFAB CC1CCC(NC(=O)NC[C@H]2COc3ccccc3O2)CC1 13013056 SBGNBFFHMUUMDJ-RUXDESIVSA-N 304.390 2.704 0 40 DFAB COc1cc(OC)cc(-c2nnc(S)n2-c2cccnc2)c1 13569741 JSLRYTHHOOEIMT-UHFFFAOYSA-N 314.370 2.635 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2F)c1C 14093543 WKBFPUAXJWFRHQ-UHFFFAOYSA-N 308.284 2.949 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3cccc4ncccc34)nc2n1 14095651 VCLVHGYSVFAJCT-UHFFFAOYSA-N 318.340 2.542 0 40 DFAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C 14944458 ZZQVFQFSPWVZPJ-UHFFFAOYSA-N 323.805 2.771 0 40 DFAB CN(Cc1cc(=O)n2nc(C3CC3)sc2n1)c1ccccc1 15731880 PGXTXBGFVDUODQ-UHFFFAOYSA-N 312.398 2.665 0 40 DFAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)nc1 16129403 ZVJYWPWLLJDVRX-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB in-vitro Cc1cc(O)nc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 19118091 ORVKDXODIZSVMT-HNNXBMFYSA-N 311.385 2.787 0 40 DFAB CCCC12CN3CC(C)(CN(C1)C3c1ccccc1F)C2=O 19324589 AZWMUUOOTCMEEG-UHFFFAOYSA-N 302.393 2.831 0 40 DFAB CCCSc1ncc(CN(C)CCN2CCCCC2)cn1 19525198 LWBSMEQPZVJNEN-UHFFFAOYSA-N 308.495 2.896 0 40 DFAB Clc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 20255375 PVCNZGQERYMWPL-UHFFFAOYSA-N 309.822 2.666 0 40 DFAB CN(C)c1ccc(NC(=O)COc2ccc(Cl)cc2)cn1 20374163 QXCJVMXKQLLWFU-UHFFFAOYSA-N 305.765 2.819 0 40 DFAB NC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 20887453 MKJNILZTMGLNQR-UHFFFAOYSA-N 303.749 2.761 0 40 DFAB Cc1noc(COC(=O)c2cccnc2Oc2ccccc2)n1 24342342 MZIKWQDDULGPHQ-UHFFFAOYSA-N 311.297 2.922 0 40 DFAB CCN1C[C@@H](CN(C)C(=O)c2occc2C)Oc2ccccc21 24652700 KTNVHCMDABOWGU-CQSZACIVSA-N 314.385 2.948 0 40 DFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1n[nH]c2ccccc12 24816991 KKIGAHOEIVATOS-AWEZNQCLSA-N 320.396 2.819 0 40 DFAB C[C@@H](CNC(=O)c1ccsc1)N1CCc2ccccc2C1 25635823 JGFGKKHFDWPPLY-ZDUSSCGKSA-N 300.427 2.925 0 40 DFAB C[C@H](c1cccs1)N(C)CC(=O)Nc1sccc1C(N)=O 27554559 ZETJIUMGFBPSOI-SECBINFHSA-N 323.443 2.540 0 40 DFAB COc1ccc([C@H](O)CNC(=O)c2ccc3ccccc3n2)cc1 31581253 VNKVQCIQYVYAIS-GOSISDBHSA-N 322.364 2.707 0 40 DFAB O=C(Cn1cccnc1=O)Nc1ccc(Oc2ccccc2)cc1 31780473 JHAIFFRNHBANQT-UHFFFAOYSA-N 321.336 2.674 0 40 DFAB CCCOc1ccccc1/C=C/C(=O)N[C@@H](C(=O)O)C(C)C 33451487 ZEJKMILYNPQWEW-ZNFPLGDCSA-N 305.374 2.714 0 40 DFAB O=C(Cc1ccc(-n2cccn2)cc1)NCCc1ccccc1 36390885 NWQNNHICVZNNEJ-UHFFFAOYSA-N 305.381 2.774 0 40 DFAB CCCn1nc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1=O 36725962 GGEVSQYNBKPJJL-UHFFFAOYSA-N 323.396 2.583 0 40 DFAB CCN(CCO)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 37854300 RGSMYRJCTWLPRF-SECBINFHSA-N 306.189 2.602 0 40 DFAB CCCc1nnc(S)n1CC(=O)N[C@H](C)c1cccc(F)c1 39995536 ILEPIYSSABACHI-SNVBAGLBSA-N 322.409 2.536 0 40 DFAB COC(=O)c1ccc(NC(=O)CNc2cc(F)ccc2F)cc1 40007954 ITAHZTIHZYQXKN-UHFFFAOYSA-N 320.295 2.802 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN1C(=O)Cc1cccc2ccccc12 44874025 MIDHCDQXQWLFET-GOSISDBHSA-N 322.408 2.652 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)NCc2nc(C)cs2)on1 44967474 SZMLUNDRSJYECO-LLVKDONJSA-N 306.391 2.795 0 40 DFAB CCN(C(=O)CN1C(=O)CSc2ccccc21)C1CCCC1 45487574 CHLMXEXJRJHVAL-UHFFFAOYSA-N 318.442 2.916 0 40 DFAB CC(C)CNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 45587699 LDKMZZDFRGXQNV-CQSZACIVSA-N 304.369 2.604 0 40 DFAB c1ccc(-c2noc(CN3CCC[C@H](N4CCCC4)C3)n2)cc1 48236152 HKZJPOQQSZYMTC-INIZCTEOSA-N 312.417 2.797 0 40 DFAB O=C(CCCc1ccc(Cl)cc1)NCCNc1ncccn1 48354770 NXFRXBMRRWRSBR-UHFFFAOYSA-N 318.808 2.681 0 40 DFAB CCOC(=O)c1cnn(-c2nc3c(C)ccc(C)c3s2)c1N 49549368 SBVHLGGGRMBIPT-UHFFFAOYSA-N 316.386 2.858 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC[C@@H]1Cc1ccccc1Cl 55525088 OAXXTRLWMLATFJ-CYBMUJFWSA-N 316.788 2.876 0 40 DFAB CN(CCCNC(=S)Nc1cccnc1)c1ccccc1 57766869 UJXCGEPRHLPWSW-UHFFFAOYSA-N 300.431 2.895 0 40 DFAB Cn1cnnc1SC[C@@H](O)COc1cccc2ccccc12 58214705 PEDXBXYGQJZSOJ-ZDUSSCGKSA-N 315.398 2.500 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2CCCOC2)c(C)n1Cc1ccco1 58429255 HYGQPMWPZUHXSO-HNNXBMFYSA-N 316.401 2.903 0 40 DFAB Fc1cccc(OCCSc2nnnn2CC(F)(F)F)c1 60350114 GOIIQMWKCXMCOI-UHFFFAOYSA-N 322.287 2.546 0 40 DFAB CCCO[C@H]1CCCN(c2ncc(Br)cn2)C1 67119884 ULJZGOYDJUYWQV-NSHDSACASA-N 300.200 2.635 0 40 DFAB CSc1ccc(-n2nnc(C(=O)O)c2-c2ccccn2)cc1 67225214 IEQBDCLGVBDNQH-UHFFFAOYSA-N 312.354 2.749 0 40 DFAB CC(=O)NC[C@H]1CCCN(Cc2ccccc2OC(C)C)C1 67412443 NCLJLIIEMUIDCU-MRXNPFEDSA-N 304.434 2.822 0 40 DFAB COCC[C@@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1 67478623 XFMOBRAXGDHDCW-DYVFJYSZSA-N 316.401 2.597 0 40 DFAB O=C(Nc1ccccn1)N(Cc1ccncc1)C[C@H]1CCCO1 67541379 GEYPLDNXFNLEPH-OAHLLOKOSA-N 312.373 2.690 0 40 DFAB O=C(NCc1ccncc1)Nc1ccc(Cn2cccn2)cc1 69200889 SDCPRNCMWFCZLV-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1ccccn1 69437539 ZQMFNLASBQJAKG-UHFFFAOYSA-N 305.341 2.996 0 40 DFAB O=c1ccc(C(F)(F)F)cn1Cc1ccc2c(c1)OCCO2 69517126 CHRJABJSZSBENR-UHFFFAOYSA-N 311.259 2.687 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@H]1CO 69615836 JMCCAVXUHFSRJI-NSHDSACASA-N 310.423 2.574 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@](Cc2ccccc2)(C(=O)O)C1 70798243 JNQTXVYAMIYFDB-KRWDZBQOSA-N 305.374 2.941 0 40 DFAB CCN1CCc2ccc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc21 71795667 TZGRIYPYVANQMM-LRDDRELGSA-N 303.406 2.758 0 40 DFAB Cc1sc2nc(CCC(=O)N3CCCCC3)[nH]c(=O)c2c1C 71828029 GQCSOCCWVZIKNU-UHFFFAOYSA-N 319.430 2.547 0 40 DFAB O=C(CCOc1cccc(F)c1)N1CCC[C@@H](c2ccn[nH]2)C1 72283073 NLSJSGIXRUJNLW-CYBMUJFWSA-N 317.364 2.724 0 40 DFAB CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72359968 BEMFBBNTNYAUIW-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB CC1(C)C[C@H]2C[C@](C)(CN2Cn2nc3c(cc2=O)CCC3)C1 72403298 OSLPUCIHRWQHJB-KSSFIOAISA-N 301.434 2.590 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N1CCn2cccc2[C@@H]1C 74535907 IYYBJRJKPYFEQP-AWEZNQCLSA-N 315.421 2.627 0 40 DFAB Cc1ccc(OCc2cccc(C(=O)Nc3nonc3C)c2)cn1 74544003 KAZSDMXTXRFFLO-UHFFFAOYSA-N 324.340 2.913 0 40 DFAB CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 75093943 NODQEBJTJHLEFV-KBPBESRZSA-N 306.431 2.580 0 40 DFAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)CCCc2ccc(O)cc2)C1 75109545 QKBJJQKYIJPFRU-HZPDHXFCSA-N 318.461 2.952 0 40 DFAB Cc1ccc(F)cc1NS(=O)(=O)c1c[nH]c2ncccc12 75535557 BZJNJLGHBZHZEC-UHFFFAOYSA-N 305.334 2.811 0 40 DFAB C[S@](=O)c1ccc(NC(=O)[C@@H]2COc3ccccc32)cc1 76066141 LVAAHRPQOHARNT-SPLOXXLWSA-N 301.367 2.539 0 40 DFAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 78161528 IXTNDSRGHQLGLT-IMJJTQAJSA-N 316.401 2.578 0 40 DFAB CC1CC(NS(=O)(=O)c2ccccc2OC(F)(F)F)C1 80815405 OXCZDGIRSWZETP-UHFFFAOYSA-N 309.309 2.662 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NC[C@]2(C)CCCS2)n1 84102197 FLKABHUOJOIWHS-LRDDRELGSA-N 324.494 2.721 0 40 DFAB CC(C)=CC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 84146304 LYONTGBSPGBEMC-OAHLLOKOSA-N 303.402 2.993 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)n1)N(C1CCCC1)C1CC1 84576791 IZKZFVHWPHJIAO-UHFFFAOYSA-N 310.401 2.743 0 40 DFAB CC(=O)NC(=O)c1ccc(-c2ccc(Br)cc2N)o1 85346826 WFFLHXOUVKXGME-UHFFFAOYSA-N 323.146 2.568 0 40 DFAB CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cn1 88229475 YHKBPQFTWQLGNJ-UHFFFAOYSA-N 307.781 2.532 0 40 DFAB Cc1noc(-c2cccnc2N2CCC(N3CCCC3)CC2)n1 89721234 ONRXLPNLSMJGSS-UHFFFAOYSA-N 313.405 2.505 0 40 DFAB Cc1cn2c(CN(C)C(=O)[C@@H]3CC[C@H](C)O3)c(C)nc2s1 89743095 OCAGKYGJRNCZHA-ZANVPECISA-N 307.419 2.539 0 40 DFAB Cc1n[nH]cc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 93280567 YLGNUKKKQGWBND-KRWDZBQOSA-N 303.381 2.803 0 40 DFAB O=C(NCC1CC1)[C@@H]1CCCN(c2ccnc3ccccc23)C1 95394688 GXCDEJWGKZXPND-OAHLLOKOSA-N 309.413 2.977 0 40 DFAB O=C(N1CC[C@@H](Oc2ccccn2)C1)C1(c2ccccc2)CC1 95418704 VJGFUEYXCPIOPT-MRXNPFEDSA-N 308.381 2.793 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 95426689 UFKRLRSXZWAUIV-KQURDKLPSA-N 313.850 2.672 0 40 DFAB COc1cc(CNc2nnc(C3CC3)o2)cc(OC)c1OC 95445181 ABLPVOAKMKNQFF-UHFFFAOYSA-N 305.334 2.585 0 40 DFAB Cc1cc(NC(=O)C2CCN([C@@H](C)c3cccnc3)CC2)no1 95955647 AZWXKGYARBOVFG-ZDUSSCGKSA-N 314.389 2.790 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1COCCN1c1cnc2ccccc2n1 95983471 UIINUSJVWQSTPR-MRXNPFEDSA-N 323.400 2.558 0 40 DFAB O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC(c2ccn[nH]2)CC1 95984107 LPNDWLGDJSMJFJ-BPQIPLTHSA-N 322.412 2.637 0 40 DFAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](CCO)C(C)(C)C)C2 95993441 DWDDUDQGZYNCHE-HZPDHXFCSA-N 305.418 2.520 0 40 DFAB CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCSC(C)(C)C)C1 95996335 UFRRAEJQTYEDEV-ZIAGYGMSSA-N 313.511 2.644 0 40 DFAB CCn1cc2c(n1)[C@@H](COC)CN(Cc1ccc(OC)cc1)C2 96059887 KYNSLRYZSQCRDM-MRXNPFEDSA-N 315.417 2.657 0 40 DFAB O=C(NCC1(O)CCC1)N[C@@H](c1ccccc1)c1ccco1 96416064 CNUJQVVCWKHNKH-HNNXBMFYSA-N 300.358 2.583 0 40 DFAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1cc(F)cc(N2CCCC2)c1 96434438 MXKCTYLNPPSGHQ-BLLLJJGKSA-N 321.396 2.708 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccnc(C)n2)C1 96462871 RCGPRQHHAZYIRN-KGLIPLIRSA-N 308.451 2.601 0 40 DFAB C[C@H]1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)C[C@@H]1O 96495250 JDKRPVOOTTYZIW-ZOWXZIJZSA-N 323.820 2.778 0 40 DFAB O=c1[nH]c2c(cc1Br)CN(Cc1ccccc1)CC2 96511324 IJEPTHJEINNIIA-UHFFFAOYSA-N 319.202 2.696 0 40 DFAB CCN(CC)c1nccn2nc(-c3cccc(F)c3)c(CO)c12 96530840 OFRYNBGFZDBLSO-UHFFFAOYSA-N 314.364 2.874 0 40 DFAB Cc1ccc(CC(=O)NC[C@@H]2COC3(CCCCCC3)O2)cn1 97038265 DYIBKLUWFTVTIP-MRXNPFEDSA-N 318.417 2.515 0 40 DFAB Cc1ccc(NC(=O)NCc2ccccc2-n2cccn2)nc1 97372773 BEKBHJONJRMTTO-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB Cn1ncc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1N 97376499 RHPIKACNYGBHEY-UHFFFAOYSA-N 318.352 2.715 0 40 DFAB COc1ccccc1C(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 100923958 VDJUEWBTAXKCSD-INIZCTEOSA-N 308.337 2.917 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)OC1 103835391 RBBMFNUYYFVJMI-KFWWJZLASA-N 307.434 2.814 0 40 DFAB CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1cc(F)cc(F)c1 125551728 OMWASUKIGHNLLO-LBPRGKRZSA-N 316.373 2.503 0 40 DFAB Cc1cccc(C2CC(NC[C@H](c3cnn(C)c3)N(C)C)C2)c1 154207471 VZSCQQJPLYKAPE-NKELODKYSA-N 312.461 2.867 0 40 DFAB CC(C)[C@@H](O)CC(=O)Nc1cc(Br)ccc1O 179655205 GWOJLFKXHXPFJF-NSHDSACASA-N 302.168 2.500 0 40 DFAB Cc1oc2ncnc(NC(=O)c3cc(N(C)C)ccn3)c2c1C 189465502 ZACVXVUBFZGKCJ-UHFFFAOYSA-N 311.345 2.553 0 40 DFAB CCN1CC[C@H](NCCCc2nc3ccccc3n2C)[C@@H](C)C1 195548898 KZYVQLMELLATGB-HOTGVXAUSA-N 314.477 2.826 0 40 DFAB c1ccc([C@@H](CN[C@@H]2CCCSC2)N2CCOCC2)cc1 195558453 HTJJAJAZHVOTIQ-IAGOWNOFSA-N 306.475 2.545 0 40 DFAB COC(=O)[C@@]1(C(=O)O)C[C@@H]1c1c(OC)ccc2ccccc12 217454238 SSMXSCDRERMABQ-PXAZEXFGSA-N 300.310 2.580 0 40 DFAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCOCC1 226245780 QJJKZKXHIQVXGM-UHFFFAOYSA-N 314.385 2.881 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cccc(CO)c2)C1 228909309 YCFOXVSWTPCBRZ-AWEZNQCLSA-N 306.406 2.530 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 257209336 BPZYFTCSJGARSV-HNNXBMFYSA-N 313.401 2.869 0 40 DFAB O=C(c1ccnnc1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 257329722 XLFVUSMVKCFZQI-CQSZACIVSA-N 318.380 2.730 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H]1c1cnc(-c2ncc[nH]2)cn1 257342914 ZQPBXFYUMCEGAT-MRXNPFEDSA-N 319.368 2.844 0 40 DFAB C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(C(=O)NC2CC2)c1 525881885 ZROPLIOEIYITBB-ZDUSSCGKSA-N 323.396 2.807 0 40 DFAB Cc1cccc2nc(CN3CCC(CCC(=O)O)CC3)cn12 565100434 VEYRKHIZXFCPAA-UHFFFAOYSA-N 301.390 2.720 0 40 DFAB COc1cccc([C@H]2CCCN2C(=O)CCc2ncccn2)c1 569897703 HCZYFXMAXZVZET-MRXNPFEDSA-N 311.385 2.782 0 40 DFAB CN(Cc1ccc(Cl)cc1)C(=O)c1conc1C(C)(C)N 574291996 LEGORYWMZPGBTM-UHFFFAOYSA-N 307.781 2.794 0 40 DFAB CC(C)[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cccc1 575443180 KKCDCKYARKQIFD-KRWDZBQOSA-N 310.401 2.920 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 585182588 RMMFWMUBOPWPKN-AWEZNQCLSA-N 321.428 2.995 0 40 DFAB O=C(NC[C@@]1(O)CCCc2occc21)c1ccc(Cl)s1 1565522309 MBKBRNWJCYEKBH-AWEZNQCLSA-N 311.790 2.948 0 40 DFAB NC(=O)C[C@@H]1CN(C2CCCC2)CC[C@H]1Oc1ccccc1 1615190964 DZXSMCXURUAGKN-RHSMWYFYSA-N 302.418 2.574 0 40 DFAB Cc1csc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)c1 1775995102 BSYOGAAOOAAPNZ-CYBMUJFWSA-N 317.414 2.778 0 40 DFAB Cc1nccn1CC1CN(c2cnc3cc(Cl)ccc3n2)C1 1889148908 XRSRKTDBMIRMJU-UHFFFAOYSA-N 313.792 2.925 0 40 DFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncc(Cl)cn2)C1 2087126169 BDSYHKZZGLBUHB-LBPRGKRZSA-N 310.829 2.603 0 40 DFAB COc1cc(CNCC(C)(C)CN(C)C)ccc1OC(F)F 60816771 XUFQJWVROGGISO-UHFFFAOYSA-N 316.392 2.974 0 40 DFAB COc1ccc(CNC(=O)CSc2nc(C)cc(C)n2)cc1 328045 GVHMAUUEBHQQAB-UHFFFAOYSA-N 317.414 2.511 0 40 DFAB Cc1ccn2cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)nc2c1 46809502 LWNGPXSJPIANPH-OAHLLOKOSA-N 322.412 2.897 0 40 DFAB CCNC(=S)Nc1c(C(=O)OCC)[nH]c2ccc(F)cc12 546414 UWHCJAWZQBNBEH-UHFFFAOYSA-N 309.366 2.790 0 40 DFAB C[C@@H](NC(=O)Nc1ccncc1)c1ccc2c(c1)CCC(=O)N2 46986898 FCBYLFIHJNUKPE-LLVKDONJSA-N 310.357 2.849 0 40 DFAB CC(C)(CO)NC(=O)c1ccc(Br)cc1Cl 37367610 JQVICSBTFPBXAY-UHFFFAOYSA-N 306.587 2.603 0 40 DFAB Cc1nn(CCC(=O)NC2CCCCC2)cc1Br 2805101 LEDMDFREGFTMMG-UHFFFAOYSA-N 314.227 2.793 0 40 DFAB O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CCOCC1 78790639 CURFSWDQMWFRKK-CYBMUJFWSA-N 318.200 2.570 0 40 DFAB Cc1ccc(C(N)=O)cc1NCc1cnn(-c2ccccc2)c1 79016671 OPPLHGZHEZTAEZ-UHFFFAOYSA-N 306.369 2.892 0 40 DFAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 100307810 NGDKSUMWAZNTCW-SPUZQDLCSA-N 317.344 2.646 0 40 DFAB C[C@@H]1CNCCN1C(=O)c1ccc(Br)cc1Cl 54369352 XNIPFJBBRJGLSL-MRVPVSSYSA-N 317.614 2.536 0 40 DFAB O=C(/C=C/c1ccco1)NC(=S)Nc1cccnc1Cl 57313034 LANDTPUUODNULV-AATRIKPKSA-N 307.762 2.854 0 40 DFAB O=C(NCC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O 84339158 FWNFQNWHAGEVBL-QMMMGPOBSA-N 304.173 2.998 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1nnnn1-c1ccccc1 105932506 BDRSMSAXXVLPJZ-MELADBBJSA-N 312.373 2.532 0 40 DFAB CCOCCCNC(=O)Nc1ccccc1Br 43133677 IDEJONIVJQPKBD-UHFFFAOYSA-N 301.184 2.997 0 40 DFAB c1cc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)cs1 106108254 QNHDBFZXKVYGRN-CHWSQXEVSA-N 305.403 2.942 0 40 DFAB COc1ccc(SCC(=O)NCc2ccncc2)cc1OC 20045925 GGXDHXQXLLBKDX-UHFFFAOYSA-N 318.398 2.507 0 40 DFAB NC(=O)c1cc(NCC(=O)Nc2cccc(Cl)c2)ccc1F 55850675 YAORDXPWATYSCP-UHFFFAOYSA-N 321.739 2.629 0 40 DFAB O=C(OCc1nc2ccccc2s1)c1cnn2cccnc12 43508507 XVFBQNGADVZIFE-UHFFFAOYSA-N 310.338 2.696 0 40 DFAB NC(=O)CN(Cc1ccc(Br)s1)C1CCCC1 43678126 AGHGWNVZFKFHCH-UHFFFAOYSA-N 317.252 2.741 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2nc(C)cs2)cc1 97113242 HYBKONJSAMXPGI-ZDUSSCGKSA-N 324.471 2.712 0 40 DFAB COc1ccc(NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 56502881 DCWHGDATGBPTRG-UONOGXRCSA-N 305.422 2.937 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCSc2ccccc21 47869311 FSPIVUZKMCJVIU-JSGCOSHPSA-N 316.430 2.808 0 40 DFAB Sc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 57352215 KXKLCAQCKARLOA-UHFFFAOYSA-N 301.762 2.986 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccccc2)CC1 57334569 NIRMOQCRVCFQCY-SJLPKXTDSA-N 315.461 2.504 0 40 DFAB COc1cccc(OC)c1C(=O)NCCOc1ccc(F)cc1 22479949 MVWCIGRMVJDZDF-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB CCCC[C@@](O)(CCN1CCOCC1)c1ccc(OC)cc1 27346258 CRKBMKPNEVNGOI-GOSISDBHSA-N 307.434 2.795 0 40 DFAB Cc1ccn(-c2ccnc(NCc3ccc(F)cc3F)n2)n1 57508451 HFTOKNBALKRAGO-UHFFFAOYSA-N 301.300 2.861 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-n2cncn2)cc1 57662384 JUBLPRSWEDFEAK-ZDUSSCGKSA-N 304.353 2.859 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1nccn1C 27416268 PGSCNQIQIPBTNA-OAHLLOKOSA-N 310.357 2.544 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(F)cc1 12765647 XIXGKQZESUJXSE-UHFFFAOYSA-N 300.333 2.513 0 40 DFAB Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1F 44866795 BSCFCGXSIRURNG-CYBMUJFWSA-N 300.333 2.924 0 40 DFAB O=C1CCc2ccc(NC(=O)NC3Cc4ccccc4C3)cc2N1 97140924 YWBAUUVYWSSYJF-UHFFFAOYSA-N 321.380 2.860 0 40 DFAB Cc1nnc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)s1 58331212 FRKHDUXJYKOLCG-JTQLQIEISA-N 319.434 2.665 0 40 DFAB CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)c1cccs1 58306621 REAVTEFEHPGWNI-RISCZKNCSA-N 308.447 2.866 0 40 DFAB COc1ncccc1NC(=O)Nc1ccc(-n2ccnc2)cc1 72305795 KJELZFFHBPRZTE-UHFFFAOYSA-N 309.329 2.920 0 40 DFAB CCCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1Cl 28051464 MUXVDPPTTZFKCI-UHFFFAOYSA-N 314.794 2.871 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)s1 58407379 OCCOCZXABGKWEI-LLVKDONJSA-N 324.381 2.656 0 40 DFAB C[C@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@H](C)O1 8848187 ZVACUQBNAMWIGF-IUCAKERBSA-N 316.170 2.838 0 40 DFAB CCOC(=O)C1=C(C)NC(C(=O)O)=C[C@@H]1c1ccc(Cl)cc1 104347284 UIYNVRPTVPFMNO-GFCCVEGCSA-N 321.760 2.832 0 40 DFAB Cc1cc(N)nc(SCc2noc(-c3cccs3)n2)n1 48333937 LZZITIUOXZUZGZ-UHFFFAOYSA-N 305.388 2.771 0 40 DFAB NC(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 95440117 XFEXCKYUMZUADQ-GHMZBOCLSA-N 318.314 2.978 0 40 DFAB CCc1nnc(CN2CCC[C@H]2c2ccc(OC)cc2OC)o1 29699940 CFXQBLKVTWWXCA-AWEZNQCLSA-N 317.389 2.986 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N(C)CCCOc2ccccc2)on1 29854986 OQIXDAVDMZCXSF-CQSZACIVSA-N 317.389 2.711 0 40 DFAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1nc2nccc(C)n2n1 13011303 ATSLYPCHPUWICD-CYBMUJFWSA-N 323.400 2.874 0 40 DFAB O=CNCCc1nc(-c2ccc(Br)cc2)cs1 3768003 IJXQCKTWVPVQDK-UHFFFAOYSA-N 311.204 2.861 0 40 DFAB COc1ccc([C@@H]2NN=C(c3c[nH]c4ccccc34)[C@H]2O)cc1 13121963 UKXRUPOIAKFFCM-WMZOPIPTSA-N 307.353 2.586 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H](NC2Cc3ccccc3C2)C1 95423773 MGJSCPBUDFGUQM-GOSISDBHSA-N 306.409 2.658 0 40 DFAB CC(C)CCc1nc(CSc2nc(N)cc(N)n2)cs1 49151803 BKAQGLCSZVPKGI-UHFFFAOYSA-N 309.464 2.978 0 40 DFAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)O)cc1 13464550 VRMHRGXTODOYGN-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB COc1ccccc1[C@@H](CC(=O)N1CCN(C)CC1)C(C)C 13684619 YKOOPBQSVHEJQL-INIZCTEOSA-N 304.434 2.599 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 6082760 AUXDOYHRQSHZSN-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CC(C)C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1 9115289 DFHSQJCBFQVMAG-GJZGRUSLSA-N 301.390 2.945 0 40 DFAB C[C@@H](Nc1ccc(F)cc1)C(=O)NC(=O)NCc1ccccc1 14095033 JAUHXAXSEVQABE-GFCCVEGCSA-N 315.348 2.652 0 40 DFAB Fc1ccc(-c2cc(-c3nc4c5c(ncn4n3)CCC5)n[nH]2)cc1 6445724 AMTHDSFEAUMBMF-UHFFFAOYSA-N 320.331 2.809 0 40 DFAB CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 14256956 APOLXNJKWMEEQZ-UHFFFAOYSA-N 312.341 2.832 0 40 DFAB CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 96010195 NUMYIPPOQIBDBS-LBPRGKRZSA-N 322.405 2.829 0 40 DFAB Cc1ccc2c(c1)C(=O)C(=O)N2CCC(=O)c1ccc(F)cc1 6669664 WQKSQPUDRWIUGD-UHFFFAOYSA-N 311.312 2.936 0 40 DFAB CC(C)(CNC(=O)c1n[nH]c2ccccc12)N1CCCCC1 6653195 SVIQBFIQOPWDIU-UHFFFAOYSA-N 300.406 2.557 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCc2cccs2)cc1Cl 4776895 QHROUQUUYAKOIG-UHFFFAOYSA-N 308.790 2.965 0 40 DFAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 16092760 IABDDBSQJHFZGA-UHFFFAOYSA-N 317.410 2.662 0 40 DFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)CCC3)CS2 7777428 IBAAIMXLSCYPOW-WMLDXEAASA-N 316.426 2.568 0 40 DFAB Cc1nc(-c2cccc(C(=O)OC[C@@H]3CCC(=O)N3)c2)cs1 96444003 LRMJSZDIIQSPFS-ZDUSSCGKSA-N 316.382 2.554 0 40 DFAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)NC1CCCCC1 7982649 TVMOCPRXMWTXOF-LBPRGKRZSA-N 304.390 2.861 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)n1 70018014 MYJUOOOTTZEEQG-KURKYZTESA-N 324.428 2.862 0 40 DFAB Cc1c(C(=O)N2CCCC[C@H]2CC(N)=O)oc2ccccc12 69379831 JXPOFVCWWCAATR-LBPRGKRZSA-N 300.358 2.611 0 40 DFAB Cc1cnn(C[C@H]2CN(c3nc4ccccc4s3)CCO2)c1 69452262 YCWQSCFRXLLQPZ-CYBMUJFWSA-N 314.414 2.707 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cn1 69668626 HOSXDSZFLYOGOP-OAHLLOKOSA-N 309.373 2.807 0 40 DFAB Clc1ccc2c(N3CCC[C@@H](n4cncn4)C3)ncnc2c1 69772541 QHWINVAXKJFDTI-GFCCVEGCSA-N 314.780 2.716 0 40 DFAB Cc1csc2nc(CN(C)Cc3cccc(F)c3)cc(=O)n12 8707731 JOLSCZDEFFULNF-UHFFFAOYSA-N 317.389 2.836 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c(C)nn1C 72234307 GLVXYRJMBCQDRF-KGLIPLIRSA-N 303.406 2.757 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1noc(C2CC2)n1 72253585 MMXQYXHVXWEUCK-ZDUSSCGKSA-N 301.394 2.634 0 40 DFAB CN1CCN(C(=O)C[C@H]2CSCCS2)c2ccccc2C1 95433650 DGIRVTWIEUPOAJ-AWEZNQCLSA-N 322.499 2.704 0 40 DFAB COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@@H](C)C1 95985424 PNWHKVQURDBQCS-CHWSQXEVSA-N 308.397 2.743 0 40 DFAB CN(CC(=O)Nc1nc(CN2CCCCCC2)cs1)C1CC1 95957828 AIIKFZXXLRZJGN-UHFFFAOYSA-N 322.478 2.552 0 40 DFAB CCOc1cccc(CNC(=O)C[S@](=O)C2CCCCC2)c1 89269961 TZZMFDXPVADKDT-JOCHJYFZSA-N 323.458 2.783 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c(=O)[nH]1 75124733 CPKQXAMSGADAFT-LBPRGKRZSA-N 317.389 2.762 0 40 DFAB COc1ccc(CCC(=O)NC(C)(C)CCC(=O)O)cc1F 89761659 LHYCSRDRPUIXCI-UHFFFAOYSA-N 311.353 2.527 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)no1 89997020 WRNDJSOUXLOGDJ-DZGCQCFKSA-N 319.792 2.812 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1csc2ccccc12 76092763 DKPJMETUBZIEAB-KCJUWKMLSA-N 306.412 2.904 0 40 DFAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 26790800 YCGMXKGBQCRDMC-KRWDZBQOSA-N 323.396 2.889 0 40 DFAB O=C1N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 409078607 IZNWZBNHYRQBNF-JYRVWZFOSA-N 314.341 2.641 0 40 DFAB CCOC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)OC)cc12 407139 SKSXEVFSOBUCEZ-JTQLQIEISA-N 306.314 2.858 0 40 DFAB biogenic O=C(C[C@@H](C(=O)c1ccccc1)N1CCOCC1)c1ccccc1 31912303 DNCILQJSGUTVNA-SFHVURJKSA-N 323.392 2.843 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C 30332693 RLNTYZUUGVCSGH-UHFFFAOYSA-N 311.428 2.886 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC(c3ncc[nH]3)CC2)c1C 72432181 IDOGEYUVPXKYBS-UHFFFAOYSA-N 300.406 2.868 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(N3C[C@H](C)O[C@H](C)C3)c21 72238348 MINUVQTUBQVUST-TXEJJXNPSA-N 317.437 2.892 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)c1nc2ccccc2s1 75155668 JDNSTRHHTNAYRV-GOSISDBHSA-N 324.405 2.860 0 40 DFAB COCc1nnc(NC(=O)[C@H](CC(C)C)n2cccc2)s1 575443374 RDWAVZCPYDKPGO-NSHDSACASA-N 308.407 2.712 0 40 DFAB COCC[C@@H](NC(=O)[C@]1(C)CCCN1)c1ccc(Cl)cc1 195554342 NPXBQUPGMJSCOM-ZBFHGGJFSA-N 310.825 2.676 0 40 DFAB Cc1ccc(CNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)o1 96192692 WGNFAGNCXNESOY-QGZVFWFLSA-N 316.332 2.927 0 40 DFAB Cn1cncc1CC(=O)N1CCC[C@H]1c1ccc(F)cc1F 577712604 OLGAACGUWXIUEZ-HNNXBMFYSA-N 305.328 2.605 0 40 DFAB CC[C@@H](NC(=O)Cn1cccn1)c1nc(C(F)(F)F)cs1 96443881 MQBWUOFMIOHTCM-MRVPVSSYSA-N 318.324 2.626 0 40 DFAB CCC(=O)Nc1nnc(CCOc2ccccc2OC)s1 95116450 MGJKVYWXGXWSNT-UHFFFAOYSA-N 307.375 2.517 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)nn1 583130324 SDLANJXKJFJCBN-UHFFFAOYSA-N 311.341 2.781 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(F)cc1F 97379508 RVFVZOSRBSFXRY-HNNXBMFYSA-N 306.312 2.517 0 40 DFAB CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCSC1 97371053 WLWQJCCBKKSLIK-ZIAGYGMSSA-N 313.488 2.724 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCOC[C@H]2C[C@H](C)O)c1 230196885 VNXYUAVKJARZHT-HRCADAONSA-N 320.433 2.546 0 40 DFAB COc1cccc(NCc2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)c1 95534120 ZSRRXGSZHYYXBE-KRWDZBQOSA-N 323.400 2.782 0 40 DFAB CC(C)C(=O)N1C[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccccc21 96251757 ZDPLKCNHPYXWCQ-GOEBONIOSA-N 312.413 2.641 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 257271124 MWYSXMYUDXODIN-GFCCVEGCSA-N 313.405 2.619 0 40 DFAB Cc1ncc2cncc([C@H]3CCCN(Cc4cncs4)C3)n12 257199698 AANKKIGKIJMVIO-ZDUSSCGKSA-N 313.430 2.874 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 252586439 QCIVXYPQGJKXEL-LOWVWBTDSA-N 309.312 2.534 0 40 DFAB Cn1cc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cn1 25308253 WWGSYWACKHRDFI-UHFFFAOYSA-N 316.342 2.579 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C 55312194 JSVSGPLUEKKLHM-ILXRZTDVSA-N 300.402 2.568 0 40 DFAB Cn1c(N)nnc1SCc1c(F)cccc1Br 92892140 DQMPUDHTOUPMGJ-UHFFFAOYSA-N 317.187 2.591 0 40 DFAB CSc1nnc([C@@H]2CCCN2C(=O)NC2CCCCC2)n1C 5001589 JMLWBXHYOCIMMR-LBPRGKRZSA-N 323.466 2.716 0 40 DFAB C[C@@]1([C@@H]2CC[C@@]3(C)C(=O)CC[C@H]3[C@H]2CO)CCC2CC1(O)C2 5567142 QSUQXTWOXHXRAN-LLPVZDJLSA-N 306.446 2.932 0 40 DFAB Cn1c(Sc2nc(=O)c3ccccc3[nH]2)nc2ccccc21 5646635 FWKYVPFUNYUBGN-UHFFFAOYSA-N 308.366 2.961 0 40 DFAB C[C@@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CCCO1 12192991 XQSXJVMXXUZKGY-INIZCTEOSA-N 303.337 2.578 0 40 DFAB CCc1nnsc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 13012786 YXQMHWFAHBNUKT-UHFFFAOYSA-N 313.285 2.674 0 40 DFAB O=C(O)Cc1csc(NC(=O)/C=C/c2ccccc2F)n1 13404867 ACQYSHRKBUVNRM-AATRIKPKSA-N 306.318 2.561 0 40 DFAB CCS(=O)(=O)Nc1ccn(Cc2cccc3ccccc23)n1 14236154 MIRKPHIGLHEQPY-UHFFFAOYSA-N 315.398 2.846 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 16089412 HSTNTCWEPAFVFK-JTQLQIEISA-N 318.236 2.870 0 40 DFAB CN(C)CCN(Cc1ccncc1)Cc1cc(F)ccc1F 19582699 WJBPJHNEKRVMOD-UHFFFAOYSA-N 305.372 2.924 0 40 DFAB Cc1cc(C(=O)NCC2CCN(C3CCOCC3)CC2)c(C)o1 225561753 PDAIKLZTIWGUKJ-UHFFFAOYSA-N 320.433 2.517 0 40 DFAB CSCC[C@H](O)CNC(=O)CCc1cccc(Cl)c1 1888853765 LKRKAPYEAIZBRZ-ZDUSSCGKSA-N 301.839 2.503 0 40 DFAB CC(C)Cc1ncc(-c2nccnc2C[C@@H]2CCNC2)s1 1848355623 UVDHOFNUDJRNAS-LBPRGKRZSA-N 302.447 2.951 0 40 DFAB CCn1ncc(Br)c1C(=O)Nc1cccc(OC)c1 28223747 KCXOGPFDZSNIGD-UHFFFAOYSA-N 324.178 2.926 0 40 DFAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CC3CC3)C2)cc1C 2037913031 MCHKUWCWACAICD-IBGZPJMESA-N 317.429 2.836 0 40 DFAB O=C(NCCCOc1cccc2cccnc12)c1cccnc1 44455587 REBQDDKIHYNKDM-UHFFFAOYSA-N 307.353 2.829 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1nc(-c2cccs2)oc1C 40107256 KAUDWPGCCXSANV-GFCCVEGCSA-N 319.430 2.926 0 40 DFAB Cn1ccs/c1=N\C(=O)c1nn(-c2ccccc2)c2c1CCC2 30992768 VYWAFLOSRIWKNT-ZCXUNETKSA-N 324.409 2.502 0 40 DFAB Cc1cnc(C(=O)Nc2cccc(Oc3ncccn3)c2)cn1 32027762 YVEPPKGVTAKOPE-UHFFFAOYSA-N 307.313 2.620 0 40 DFAB CC[C@](C)(NC(=O)Cc1cccs1)C(=O)NC1CCCC1 246427 PAJUVXJQQBOBAG-INIZCTEOSA-N 308.447 2.634 0 40 DFAB C[C@@H](OC(=O)c1ccccn1)C(=O)N1CCCc2ccccc21 20978759 CCNQVRUKTOFCPU-CYBMUJFWSA-N 310.353 2.606 0 40 DFAB COc1cc([C@H](C)Nc2cc(C)nc(C)n2)ccc1OCCO 52488736 VKNIGBFIQCIJBF-LBPRGKRZSA-N 317.389 2.646 0 40 DFAB COc1cc(CNC(=O)c2ccccc2-n2cccn2)ccc1O 52639004 MFNKODNWQDCNKW-UHFFFAOYSA-N 323.352 2.517 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 44395 VERYUBMGOYROMP-ZDUSSCGKSA-N 310.353 2.687 0 40 DFAB Cc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1 221340 BMVPVXRSFCAFBM-UHFFFAOYSA-N 313.382 2.864 0 40 DFAB NC(=O)c1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 84398244 OLOZLDORVMMVBG-UHFFFAOYSA-N 308.381 2.780 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1OC 2736223 ZLMQVSLLSMAEDD-FNORWQNLSA-N 305.359 2.516 0 40 DFAB O=C([C@@H]1CCc2cn[nH]c2C1)N1CC=C(c2ccc(O)cc2)CC1 79377549 LYKCALCIMQAXRA-OAHLLOKOSA-N 323.396 2.536 0 40 DFAB CN1C(=O)[C@@]2(SCC(=O)N2c2ccccc2)c2ccccc21 6996857 PDQHJJMVPACXLF-KRWDZBQOSA-N 310.378 2.596 0 40 DFAB CCn1cc(CC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c2ccccc21 89305625 ZDSOGXNKIQFAIE-HUUCEWRRSA-N 314.429 2.823 0 40 DFAB CCCN1C(=O)c2cc(O)n(Cc3ccccc3)c(=O)c2[C@H]1C 104297900 DBDPHZYVAPXUKB-GFCCVEGCSA-N 312.369 2.529 0 40 DFAB O=C(NCCCNc1ncccn1)c1cc(Cl)ccc1F 42757569 IJXJAEDGHCNICS-UHFFFAOYSA-N 308.744 2.501 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cn1 54976780 QFHKAJUVFAWYSR-UHFFFAOYSA-N 310.397 2.828 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2Cl)[nH]n1 24959823 KQLRKBYWSRAVOJ-SNVBAGLBSA-N 305.765 2.639 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CCc1ccccc1 55485301 UUAGXDCEMQZYHT-MRXNPFEDSA-N 316.445 2.773 0 40 DFAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)CC(C)(C)C2 9936465 UNYHWKGVJWKELM-UHFFFAOYSA-N 313.405 2.866 0 40 DFAB CCOC(=O)c1ncn(CC23CC4CC(CC(C4)C2)C3)c1N 34929182 KYELQFGLFAFBJO-UHFFFAOYSA-N 303.406 2.858 0 40 DFAB COCCN(CCOC)Cc1coc(-c2ccc(C)cc2)n1 43679303 JTTJWKCETDHVCR-UHFFFAOYSA-N 304.390 2.745 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N[C@H](CO)c2ccccc2)C1 107356830 LOAMOMANUDJZJM-RRFJBIMHSA-N 308.447 2.693 0 40 DFAB C[C@@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1 22168073 NOVVOAJSVRVRGX-JTNHKYCSSA-N 313.239 2.558 0 40 DFAB Cc1ccc(CNC(=O)NC2CCN(CC(F)F)CC2)cc1 57987543 DORVKIBOXZXLRG-UHFFFAOYSA-N 311.376 2.524 0 40 DFAB CCCc1ccccc1NC(=O)c1cccc(OCC(N)=O)c1 24504881 HWJVKPVNWIOZCM-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB CCCc1noc(CS(=O)(=O)c2ccc(F)c(Cl)c2)n1 44947356 NAPCKEAGMAYZEY-UHFFFAOYSA-N 318.757 2.789 0 40 DFAB CSc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 44973770 NWVUMFKEQSACQI-JTQLQIEISA-N 304.371 2.759 0 40 DFAB COc1c(CN[C@@H](C)c2ccc3c(c2)CCO3)c(C)nn1C 58344989 LJXCCEJEUIBGQA-NSHDSACASA-N 301.390 2.523 0 40 DFAB CC1=NN(c2ccc(C(=O)NC[C@@H](O)c3ccccc3)cc2)CC1 45012062 PVAVDQRTKNYGJR-GOSISDBHSA-N 323.396 2.736 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCN(c2nccs2)CC1 10673267 CGOBABQTUWMQPA-UHFFFAOYSA-N 321.833 2.688 0 40 DFAB O=C(CCCn1sc2ccccc2c1=O)Nc1ccccn1 36352670 AIQTYUKNOPZHSK-UHFFFAOYSA-N 313.382 2.877 0 40 DFAB COc1cccc(/C=C/C(=O)O[C@H]2CCCCC2=O)c1OC 3302843 GKMWYMHSRISCSQ-VNDWYCCKSA-N 304.342 2.772 0 40 DFAB Cc1cccc(CS(=O)(=O)Cc2noc(CC(C)C)n2)c1 58936361 XGBFVOWZDHODKM-UHFFFAOYSA-N 308.403 2.692 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(CO)c2ccccc21 11852007 GSICQWIHQDLBLI-INMHGKMJSA-N 316.445 2.757 0 40 DFAB c1ccc(-c2nc[nH]n2)c(OCc2ccc3c(c2)OCCO3)c1 95437196 GTGVZULYLUSCLA-UHFFFAOYSA-N 309.325 2.822 0 40 DFAB COc1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 12859157 RGLVQPDVMIRPRB-UHFFFAOYSA-N 304.371 2.658 0 40 DFAB c1cc2c(cc1C1=NN=C(NC3CCCC3)SC1)OCO2 8986416 QSYSMMBHNMSLMK-UHFFFAOYSA-N 303.387 2.754 0 40 DFAB Cc1noc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)n1 71184918 REBIADFKDJVFPY-ZETCQYMHSA-N 315.251 2.803 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1F 3884802 IHBQWIIYCBTSFI-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(O)c2)c1 63536078 ONZHRNPDBKUDJM-LBPRGKRZSA-N 315.369 2.829 0 40 DFAB O=C(OC1CCN(Cc2ccsc2)CC1)C1CCOCC1 95405032 YEFWCFJJIQTBJR-UHFFFAOYSA-N 309.431 2.682 0 40 DFAB O=C(CCOC1CCOCC1)Nc1cccc(-c2ccn[nH]2)c1 95409516 MCQNPBRVSOEHGI-UHFFFAOYSA-N 315.373 2.601 0 40 DFAB CCN(CC)[C@@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95403870 OFWXOZQKLYKRQG-CQSZACIVSA-N 319.453 2.722 0 40 DFAB Cc1nc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C 6255122 MBPIMSWNDYVEIS-UHFFFAOYSA-N 307.350 2.545 0 40 DFAB C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccccc1NS(C)(=O)=O 65551725 HCYJKQDUMYBCNF-VXGBXAGGSA-N 324.446 2.672 0 40 DFAB O=C(NCCc1ccccc1)c1noc(-c2ccc(F)cc2)n1 96105450 XUHVZZWVHPBMDH-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB O=C(c1cnn(-c2ccccc2)n1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814269 SFNBCLGHXBTGBN-KWOWKCNFSA-N 322.412 2.918 0 40 DFAB COc1cc2nc(Cc3cccs3)oc(=O)c2cc1OC 9452139 FCFVYDSJEMLSOR-UHFFFAOYSA-N 303.339 2.858 0 40 DFAB Cc1ccc(CNC(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 9434465 SHYXZAAHNMBRCD-DUVNUKRYSA-N 320.433 2.925 0 40 DFAB CCc1cnccc1C(=O)N[C@H](C)[C@H](O)c1ccc(F)c(F)c1 95992403 LFTVEODFQTXHJA-HWPZZCPQSA-N 320.339 2.774 0 40 DFAB O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@H]1CCCO1 15355995 WZJLLJIYOTYPEP-CQSZACIVSA-N 320.389 2.787 0 40 DFAB Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N(C)C)o1 15860108 KGRPHSHXLCUWKA-OAHLLOKOSA-N 320.364 2.525 0 40 DFAB O=C(Nc1cc(CCc2ccccc2)ccn1)c1cccc[n+]1[O-] 95964166 JXVQIFWYCAKODT-UHFFFAOYSA-N 319.364 2.753 0 40 DFAB CNC(=O)c1ccc(CN(C)Cn2ccc(-c3ccccc3)n2)o1 71890229 BNWLEMLUJZQXRO-UHFFFAOYSA-N 324.384 2.592 0 40 DFAB CN(Cc1nc2ccccc2o1)C[C@@H]1CCCN1c1cccnn1 71859968 ANWMMHAUJUSRNM-AWEZNQCLSA-N 323.400 2.719 0 40 DFAB Cc1cnn(CCNCc2ccc(OCc3ccncc3)cc2)c1 70011733 DKQFPIRLHYQNKR-UHFFFAOYSA-N 322.412 2.955 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)Nc1cc(NC(C)=O)ccc1F 71853945 JHRCKRGJFOHHPT-CYBMUJFWSA-N 323.368 2.817 0 40 DFAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1F 20111914 NRYRMROVXFKBGM-UHFFFAOYSA-N 301.383 2.788 0 40 DFAB CCCc1cc(C(=O)NCc2nc3c(s2)CCCC3)[nH]n1 91755615 HHZTYRMGKOSKEW-UHFFFAOYSA-N 304.419 2.628 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 69665168 LKCRJJVGYFDJEI-ROUUACIJSA-N 309.413 2.934 0 40 DFAB COc1ccc(-c2nsc(NC(=O)c3cc(C)no3)n2)cc1 69848960 PQOZORKOHHXDLF-UHFFFAOYSA-N 316.342 2.762 0 40 DFAB O=C(NCCCCNc1ccccn1)c1cnc2ccccc2n1 69809758 GAIPOHMYMOEXLI-UHFFFAOYSA-N 321.384 2.647 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)o1 8778830 NYSWQDJLNDEQKW-HFBDOXOYSA-N 307.357 2.849 0 40 DFAB COCc1ccc(C(=O)N(C)CCCOc2ccccc2)o1 97259652 ATUZUCBDUULHRI-UHFFFAOYSA-N 303.358 2.967 0 40 DFAB Cn1nccc1CNC(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 95965938 HFKVCOILBHQFJP-KXBFYZLASA-N 324.428 2.514 0 40 DFAB Cc1nnc2ccc(N[C@@H](C)c3cccc(-n4cccn4)c3)nn12 75062899 ALLPOJXEYCNUCY-LBPRGKRZSA-N 319.372 2.792 0 40 DFAB Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)[nH]1 89568597 XWQDBWXZHJTILZ-ZDUSSCGKSA-N 321.421 2.665 0 40 DFAB Cc1cccc(-n2cc(C(=O)N3CCC[C@H]3c3ccc[nH]3)nn2)c1 89686160 WDSPTWKAJCVZAA-KRWDZBQOSA-N 321.384 2.881 0 40 DFAB CC(C)CO[C@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 89840272 MCCBNLZZNDMECI-RCDICMHDSA-N 324.446 2.703 0 40 DFAB CCCCc1noc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1 89954872 KZFUDGSPNMIGMO-NWDGAFQWSA-N 318.425 2.752 0 40 DFAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)CCc1ccccc1Cl 76019123 GCLCGBITLQNXST-JSGCOSHPSA-N 309.793 2.731 0 40 DFAB COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409083252 SETFIKRZDMHZGR-PTNGSMBKSA-N 300.358 2.921 0 40 DFAB O=C(NCCCCc1ccccc1)C(=O)NCc1cccs1 408709547 DDTFCMUJHPNWBC-UHFFFAOYSA-N 316.426 2.503 0 40 DFAB CC(C)(C(=O)NCCc1cnc2c(Cl)cnn2c1)C1CCC1 556349325 BAXOWVVIOLVIKH-UHFFFAOYSA-N 320.824 2.868 0 40 DFAB COc1cc(COC(=O)c2c(C)nn3cccnc23)ccc1C 77961432 NUCKOGBSQYFECY-UHFFFAOYSA-N 311.341 2.712 0 40 DFAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccnc1 36133880 QIBLQKBEKHJGPJ-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB CCN1CCN(C(=O)c2ccc(-c3cccs3)nc2C)CC1 121037843 OSRVICZTRKORAP-UHFFFAOYSA-N 315.442 2.896 0 40 DFAB O=C(c1ccncc1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367639 IIBSYULHCDGCNA-CYBMUJFWSA-N 306.369 2.663 0 40 DFAB COC(=O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 33801084 UTKGFRQTYAYXFH-KGLIPLIRSA-N 305.374 2.953 0 40 DFAB COc1ccccc1CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 130189798 OHHKZDFUTRHVLP-OAHLLOKOSA-N 320.433 2.837 0 40 DFAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1 226258535 UXTFYLZYOUAGFQ-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB O=C(O)c1cc(NC(=S)Nc2ccccc2)cc(C(=O)O)c1 137977286 KHZBGXGGROHUEJ-UHFFFAOYSA-N 316.338 2.892 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cccc(C=O)c2)C1 228910557 ZIJJCLFPCKZWHE-AWEZNQCLSA-N 304.390 2.850 0 40 DFAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NCC 224553375 QRXGLNPUGJOHPM-INIZCTEOSA-N 320.433 2.739 0 40 DFAB CCc1cc(SCCC(=O)OC(C)(C)C)n2ncnc2n1 225646728 DIHREMNZWKAPQL-UHFFFAOYSA-N 308.407 2.511 0 40 DFAB Cc1cc(-c2noc(CNC(=O)c3ccc(Cl)s3)n2)no1 225812987 WEMFWPWGNUOIQJ-UHFFFAOYSA-N 324.749 2.678 0 40 DFAB CCN1C(=O)C2(CCOCC2)c2cc(Nc3ncccn3)ccc21 96080446 VDTGGBSXBLAZLO-UHFFFAOYSA-N 324.384 2.635 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)N(C)Cc2cnn(C)c2)cc1 96419248 LEVWXPKOUBNZJA-GFCCVEGCSA-N 319.430 2.568 0 40 DFAB c1ccc(NC[C@@H]2CCC[C@@H]3CN(Cc4c[nH]cn4)C[C@@H]32)nc1 96081932 RXVNPBCVVLBBJC-ZMSDIMECSA-N 311.433 2.765 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)c2)o1 96192294 VKORQDPMQDCSHG-UHFFFAOYSA-N 308.337 2.669 0 40 DFAB Cc1ccccc1-c1noc([C@@H](C)N2CCc3[nH]ncc3C2)n1 91078704 KAQZJRSJPAYAOW-GFCCVEGCSA-N 309.373 2.887 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1C 96208142 SUEYMKVBDXJKTH-KRWDZBQOSA-N 318.461 2.628 0 40 DFAB O=C(c1ccc(-n2cncn2)cc1)N1CCc2sccc2C1 12216059 NARNNZJZFYEVOY-UHFFFAOYSA-N 310.382 2.527 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)O)cc2)co1 262959137 HWMWYALRBKPSFU-LLVKDONJSA-N 303.314 2.542 0 40 DFAB CCN(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)c(F)c1 390834109 SAIVLCAQXHJSQC-UHFFFAOYSA-N 315.348 2.979 0 40 DFAB Cc1cc2nc(NC(=O)C(F)(F)F)cn2cc1Br 575435729 YOBOUFFKEQEZFF-UHFFFAOYSA-N 322.084 2.906 0 40 DFAB Cc1ncsc1C(=O)N(C)C[C@H]1OCCc2ccccc21 65608834 PRPCEBDHZKRYGR-CQSZACIVSA-N 302.399 2.838 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 74762965 IHOMRUFVQIAWJV-RWMBFGLXSA-N 308.451 2.583 0 40 DFAB O=C(Nc1cccnn1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984835 IGJGJIQTXJILBR-GXTWGEPZSA-N 318.764 2.782 0 40 DFAB Cc1cccc(CNC(=O)Nc2cccc(OCC(F)F)n2)n1 97143263 IJURYJBFNUKKRA-UHFFFAOYSA-N 322.315 2.751 0 40 DFAB FC(F)(F)COc1ccc(CN2CCn3ccnc3C2)cc1 97201579 OUHVHPNLLXWGDG-UHFFFAOYSA-N 311.307 2.840 0 40 DFAB O=C(CC[C@H]1CCCO1)NCc1nnc(-c2ccccc2)s1 89853126 FCNOPGRSSWBGDD-CYBMUJFWSA-N 317.414 2.781 0 40 DFAB O=C(O)[C@@H](Cc1ccc(Br)cc1)N1CCCCC1 41563004 AZMAUQFGMLPXLV-CYBMUJFWSA-N 312.207 2.931 0 40 DFAB COC[C@@H]1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(C)=O)[C@H]21 1534691087 RMAVVECILNDQMD-MWDXBVQZSA-N 322.401 2.799 0 40 DFAB CN1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cccnc1 52148382 GDCCOHPGXAUXHF-CQSZACIVSA-N 311.385 2.698 0 40 DFAB Cc1nc(S[C@@H](C)C(=O)O)nc(O)c1Oc1ccccc1 5687120 JXCOMRPDJHNVQU-VIFPVBQESA-N 306.343 2.848 0 40 DFAB CCc1c(C)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 5021627 YHRLWCIURVLNNR-UHFFFAOYSA-N 306.362 2.755 0 40 DFAB Cc1ccccc1COC(=O)c1cccc(S(C)(=O)=O)c1 11836395 QVFXHCFOJZWCNO-UHFFFAOYSA-N 304.367 2.756 0 40 DFAB Cc1cc(C)c(S(=O)(=O)n2nc3ccccc3n2)c(C)c1 12421355 IPYIEVJMVYHWMM-UHFFFAOYSA-N 301.371 2.594 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1ccc(OC(F)F)cc1 12791080 DDXFXYUKNAXESJ-UHFFFAOYSA-N 324.283 2.640 0 40 DFAB Cc1cccc(Cn2cc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cn2)c1 18044340 IYXDDDADSZHVFR-IAGOWNOFSA-N 323.396 2.919 0 40 DFAB Cc1cc2nc([C@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1 19129309 BWFYBIYGZLKPBK-INIZCTEOSA-N 321.428 3.000 0 40 DFAB Cc1cc(OC2CCN(C(=O)c3ccsc3)CC2)cc(=O)o1 206969731 UEMWBUKEQBTHJU-UHFFFAOYSA-N 319.382 2.693 0 40 DFAB CO[C@]1(CNC(=O)CCc2cccc(Cl)c2)CCSC1 225623473 WLTCHRVXCDLGGK-HNNXBMFYSA-N 313.850 2.911 0 40 DFAB CCOC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225731639 KINYBERSYYWRRB-SNVBAGLBSA-N 304.268 2.710 0 40 DFAB COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 25453813 BJHRDZLRZVJMAO-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1F 9861713 QWVGSBKJTCZIOL-SNVBAGLBSA-N 316.311 2.587 0 40 DFAB COc1ccccc1CCNC(=O)[C@@]1(C)CC1(Cl)Cl 5937994 SILQMOXHBLDYGZ-CYBMUJFWSA-N 302.201 2.938 0 40 DFAB Cc1cc(C)c(CNC(=O)c2csc3c2CCCC3)c(=O)[nH]1 10457607 KNEWUGVZRXHZJB-UHFFFAOYSA-N 316.426 2.862 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 4583573 KZWMKSFOIHRSEL-UHFFFAOYSA-N 318.760 2.604 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)c3ccccc3F)cc2C1 9034836 PKKQKGHZTZYLKC-UHFFFAOYSA-N 312.344 2.983 0 40 DFAB CNC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 11695001 QDDYJTCNVNOWEQ-UHFFFAOYSA-N 324.402 2.546 0 40 DFAB CC(C)[C@H](Cn1cncn1)NC(=O)Cc1cccc2ccccc12 575616921 OGXYZVWLUPDVMT-SFHVURJKSA-N 322.412 2.815 0 40 DFAB C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 30342863 AMXRFHPDBKPCAA-HNNXBMFYSA-N 304.733 2.900 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(C)c1 40161578 UWGMLOUGWDLHEU-OAHLLOKOSA-N 300.358 2.671 0 40 DFAB COC[C@@H](C)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 30880730 RSCPFKSSGFYJGZ-SNVBAGLBSA-N 308.378 2.643 0 40 DFAB Brc1cncc(-c2nn3c(C4CC4)nnc3s2)c1 20734843 ZCPNUWXQRRZZKX-UHFFFAOYSA-N 322.191 2.888 0 40 DFAB CNC(=O)[C@H](C)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32741552 INYIHALIMKIKGT-NSHDSACASA-N 301.317 2.570 0 40 DFAB Cc1ccc(Cl)cc1-n1ncc2c(NC[C@H](C)O)ncnc21 21661439 YAZPPYOMZLXOGZ-JTQLQIEISA-N 317.780 2.570 0 40 DFAB Cc1cccn2c(=O)c3cc(C(=O)NCC(C)C)sc3nc12 426920 VBOOWEPYXWAHBC-UHFFFAOYSA-N 315.398 2.603 0 40 DFAB C[C@H](CNC(=O)Cc1cccc(F)c1)N1CCc2ccccc21 33055760 JJWXHOBUANQPBG-CQSZACIVSA-N 312.388 2.936 0 40 DFAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCC1 2776800 HWQKXBZTOJRKFS-UHFFFAOYSA-N 301.312 2.838 0 40 DFAB c1cc(CN2CCN(Cc3ccon3)C3(CCCCC3)C2)no1 78970237 WYTWDMXRCCXIPF-UHFFFAOYSA-N 316.405 2.683 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCc1cccc(Cl)c1 6729345 MTBGZAOPOJSLPB-WVWOOGAGSA-N 307.777 2.703 0 40 DFAB Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)CNC(C)(C)C 6922340 SJVUEDQCOVOQKJ-ZDUSSCGKSA-N 319.401 2.538 0 40 DFAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)Cn3ccnc3)cc2C1 42510737 QQRLSNAUIFSTAY-VXGBXAGGSA-N 303.431 2.888 0 40 DFAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 3049267 SNZVFPZICAPUIP-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC(OCc2ccccc2)CC1 54618801 LNKUGOFHYGOVLE-IBGZPJMESA-N 324.424 2.894 0 40 DFAB Fc1cccnc1O[C@H]1[C@H]2CC[C@H]1N(Cc1ccoc1)CCO2 107721888 JVSDIGHQGSPVKY-BZUAXINKSA-N 318.348 2.625 0 40 DFAB COc1cccc(C(=O)NCCOc2ccccc2C)c1OC 55954502 GXUKJRVZBWQNBS-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2c(s1)CCC2 24989988 LZWWQQUZSYKQEX-LBPRGKRZSA-N 301.415 2.778 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)s1 9602201 OGPMTCGVMUZJPJ-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB Cc1cc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)no1 56342784 OXGVIBACMCENCX-CQSZACIVSA-N 316.361 2.591 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(C2CC2)cs1 26050651 GHMAABIFZKFKCT-UHFFFAOYSA-N 322.411 2.676 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)CCc1nccs1 57223838 HPNIANFAXOEVEN-UHFFFAOYSA-N 313.386 2.604 0 40 DFAB CN(Cc1ccncc1)S(=O)(=O)c1ccc(F)cc1Cl 44327806 DQSCEZPSAHZFIU-UHFFFAOYSA-N 314.769 2.695 0 40 DFAB NC(=O)CSc1nnc(SCC2CCCCC2)s1 47822400 JCIZUZHWIPDMQZ-UHFFFAOYSA-N 303.478 2.788 0 40 DFAB COC(=O)c1ccc(Nc2ccc(N3CCCC3)c(C)c2)nn1 57938071 HWXKCSORVSRVDI-UHFFFAOYSA-N 312.373 2.915 0 40 DFAB CCn1nccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 28573114 RWNFWCSDDKXTFP-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB CCOC(=O)C1(NC(=O)c2ccc(OC)c(F)c2)CCCCC1 58217767 SBTLQOGIQIBMAA-UHFFFAOYSA-N 323.364 2.830 0 40 DFAB COCc1cccc(C(=O)NCc2noc(-c3ccccc3)n2)c1 58328563 ZDFGNXRYDSFUAW-UHFFFAOYSA-N 323.352 2.813 0 40 DFAB O=C(C[C@H](C(=O)O)N1CCCC1)Nc1cccc2ccccc12 65090409 OVZNVEJFHYAKQP-MRXNPFEDSA-N 312.369 2.717 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 28025575 NPCIMTUTHIALLW-UHFFFAOYSA-N 313.288 2.741 0 40 DFAB Cc1csc(CNC(=O)c2ccc(C(F)(F)F)nc2)n1 48230685 GJGBDPJUFWHPEU-UHFFFAOYSA-N 301.293 2.795 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(CC)[nH]2)cc1 11717063 OMRGSLIZTIJFKZ-SNVBAGLBSA-N 320.418 2.885 0 40 DFAB CC(C)CCCNC(=O)NCc1ccc(N2CCCC2)nc1 29734970 ZQHGDBJAWSABOU-UHFFFAOYSA-N 304.438 2.917 0 40 DFAB O=C(NCc1cccnc1-n1ccnc1)c1cccc(Cl)c1 29918084 FWTXFSCBZJJBJK-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB COc1cccc(/C=C/C(=O)O[C@@H]2CCCCC2=O)c1OC 3302846 GKMWYMHSRISCSQ-PLSXKVAHSA-N 304.342 2.772 0 40 DFAB O=C(OCc1noc(-c2ccsc2)n1)c1ccc(CO)cc1 37151065 UKVLRWIRURPTRG-UHFFFAOYSA-N 316.338 2.647 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 20490625 OZNAKTIJSQOTGH-CQSZACIVSA-N 300.402 2.681 0 40 DFAB Cc1nc(CSCC(=O)N[C@H]2CCCc3ccccc32)no1 63922700 CBFXIBFJSMYAJX-AWEZNQCLSA-N 317.414 2.805 0 40 DFAB CN(C)CC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306140587 UXXIVSQCVSSPDK-MRXNPFEDSA-N 323.444 2.873 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccn1 65541713 RMHIRHGWUQYURL-NSHDSACASA-N 306.312 2.786 0 40 DFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)[nH]1 14198603 SPXSJNJXOMMLIZ-KRWDZBQOSA-N 319.405 2.561 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 6540898 SZVHMRRDBWSPMS-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB Cc1c(C)n(CCN(C)C)c2ncnc(NCc3ccco3)c12 6669863 UPDWSUULIDOEIZ-UHFFFAOYSA-N 313.405 2.815 0 40 DFAB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)on1 6851832 OKCIUZCMYBXEOI-UHFFFAOYSA-N 312.684 2.571 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15197040 MYASUKLASWFWFP-LLVKDONJSA-N 321.373 2.720 0 40 DFAB C[C@H](OC[C@@H](O)CNC[C@@H]1CCCO1)c1ccc(Cl)cc1 6936551 KDOQIASTJZFSMJ-RCBQFDQVSA-N 313.825 2.547 0 40 DFAB CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 7035911 GACLIXQAUQTONY-UHFFFAOYSA-N 303.745 2.696 0 40 DFAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H](C)C2)o1 7196234 ZWKKBOKIIONSQH-JTQLQIEISA-N 321.402 2.989 0 40 DFAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccccc1O 67523223 HGUJPLVJHNCGPO-UHFFFAOYSA-N 311.316 2.647 0 40 DFAB CCO[C@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1 67566779 QEASYOMXVDKUIZ-AWEZNQCLSA-N 320.389 2.814 0 40 DFAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)NC1CCCCCC1 7377376 RUAFKBUWYNRTCL-NSHDSACASA-N 322.380 2.792 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)no1 67888484 ZCOJHJHFIIFWCE-ZDUSSCGKSA-N 315.373 2.660 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(C(F)(F)F)cc1 68593296 FPUNJBIWQDUYRP-PWSUYJOCSA-N 301.264 2.700 0 40 DFAB in-vitro CCOC(=O)[C@@H](C)Nc1cccc(Cn2nc(C)cc2C)c1 71908386 KLFQPKMUAMNFSB-CQSZACIVSA-N 301.390 2.912 0 40 DFAB O=C(CCCOc1ccccc1)N1CCCC[C@@H]1C1OCCO1 69216025 OBDVLEHGFDMLLM-MRXNPFEDSA-N 319.401 2.600 0 40 DFAB C/C=C/c1ccc(OCC(=O)NCc2ccccn2)c(OC)c1 8289746 MLFZMUIESTZCSH-ZZXKWVIFSA-N 312.369 2.819 0 40 DFAB CCCn1nccc1NC(=O)N[C@@H](CCCO)c1ccccc1 77517081 DBFGAHXRIILCFP-HNNXBMFYSA-N 316.405 2.928 0 40 DFAB CCc1nc(CCNC(=O)c2cccc(OC)c2)sc1C 69454514 QJQKCWJDWHFONZ-UHFFFAOYSA-N 304.415 2.995 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 69416685 NHIVBKRVMKEWJL-LSDHHAIUSA-N 324.380 2.797 0 40 DFAB CCC[C@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 69462388 LGZMAXPLNNGKAM-NSHDSACASA-N 319.434 2.668 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cccc(C(N)=O)c2)c1 69517616 CNZMTGMJCUTYKR-ZWKOTPCHSA-N 322.408 2.856 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 69630768 CLWOLIRQYCAHCP-OAHLLOKOSA-N 320.408 2.523 0 40 DFAB O=C(NC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1 69774854 QXBXGKIZMYBAEK-SWLSCSKDSA-N 324.808 2.602 0 40 DFAB O=C(Cc1ccccc1Br)NCC[C@@H]1CCCO1 69818000 HORQEYBBXATTDS-LBPRGKRZSA-N 312.207 2.677 0 40 DFAB CCOc1cccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c1OC 95457748 QAHJYHNDLWUVLD-MAUKXSAKSA-N 321.417 2.522 0 40 DFAB CC(C)CONC(=O)NCc1ccn(-c2c(F)cccc2F)n1 95441301 NKZPAHLCODMOCA-UHFFFAOYSA-N 324.331 2.537 0 40 DFAB C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1 97038987 RAAUWSUIXJKTFJ-NHYWBVRUSA-N 313.344 2.538 0 40 DFAB CCc1nnc(CN[C@H](C)c2cccc(N3CCCC3)c2)n1C 97033681 XQUGPNGZZUSRMA-CQSZACIVSA-N 313.449 2.829 0 40 DFAB O=C(Cn1ccnc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97080031 XFKALSHGABONGA-LBPRGKRZSA-N 319.233 2.581 0 40 DFAB CNc1scnc1C(=O)OCc1nc2ccccc2nc1C 72290061 WGHZVWYXWLKCBO-UHFFFAOYSA-N 314.370 2.793 0 40 DFAB COc1ncncc1NC(=O)c1ccccc1Br 95415774 BQEODIPFTCGRDD-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)C[C@@H]1C=CCC1)C2 97198133 UREVGIFITDOXCJ-KGLIPLIRSA-N 301.434 2.968 0 40 DFAB COc1cc(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)on1 97108239 JIAGVUOINNESCP-LLVKDONJSA-N 312.329 2.741 0 40 DFAB Cc1nc(C)c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)o1 73638427 RPLBQGYSBQYCPV-UHFFFAOYSA-N 317.389 2.621 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)[C@@H](C)n2cccn2)n(C)n1 74286510 OJOHXONPCUOTKP-CYBMUJFWSA-N 309.373 2.792 0 40 DFAB Cc1nccc(NC(=O)c2cnc3c(cnn3[C@@H](C)C3CC3)c2)n1 95960230 ZZSWWUZBNBYDBT-JTQLQIEISA-N 322.372 2.753 0 40 DFAB CC1(NC(=O)NC2CCN(Cc3cccs3)CC2)CCC1 95974443 YZWYQZBLJYGGOF-UHFFFAOYSA-N 307.463 2.954 0 40 DFAB CC1(C)C[C@H](NCCCNC(=O)c2cccs2)C(C)(C)O1 89640927 FKFSICKSZNVOHT-ZDUSSCGKSA-N 310.463 2.804 0 40 DFAB Cc1nnc2ccc(NC[C@@H]3C[C@@]34CCc3ccccc34)nn12 89740962 GYFWOOVIFUAVQO-KSSFIOAISA-N 305.385 2.749 0 40 DFAB C[C@@H]1CN(C)CCN1C[C@H](O)c1cc(Cl)ccc1Cl 89939197 JVPCVSWQSZPWIR-YGRLFVJLSA-N 303.233 2.663 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccon1 89930200 TUDFMNPFIRLMEF-ZIAGYGMSSA-N 313.401 2.561 0 40 DFAB Cc1ccc(N2CC[C@@H](NC(=O)Cc3ccsc3)C2=O)cc1 75520533 WSTWBPLFQPPDDC-OAHLLOKOSA-N 314.410 2.521 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 76041531 ILXMVDKHINHVHJ-HZPDHXFCSA-N 324.380 2.615 0 40 DFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ncccc1O 21901843 MMCMXEFIZACXDA-UHFFFAOYSA-N 316.405 2.828 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 60245209 LINVZQWSYNDLAZ-KRWDZBQOSA-N 309.365 2.819 0 40 DFAB CC(C)OCCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 128223328 JLXWVQAVJOJXBX-HZPDHXFCSA-N 306.406 2.631 0 40 DFAB O=C(c1cccc2cc[nH]c12)N1CCc2ccccc2[C@@H]1CO 185702975 INEDTNCJZVYVCT-KRWDZBQOSA-N 306.365 2.900 0 40 DFAB Cn1ccnc1CNC(=O)Nc1ccc2nc(C3CC3)oc2c1 79851234 XOMBJTTUGXKKQJ-UHFFFAOYSA-N 311.345 2.760 0 40 DFAB CCOc1c(C)cc(I)cc1C(=O)O 225279088 KMQODPLOWAUFJL-UHFFFAOYSA-N 306.099 2.697 0 40 DFAB CCCC[C@H](C)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1 225703892 JLHPQTNZFUJBGV-ZDUSSCGKSA-N 311.447 2.841 0 40 DFAB CCn1cc(C(=O)N2CCCC[C@@H]2c2nc(C(C)C)no2)cn1 40714531 BQVSHMHYBHQXOK-CYBMUJFWSA-N 317.393 2.777 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)NCCCc1ccccc1 42646131 BTQFRNOXZMUZCF-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 49026444 LYEMTEBCYIBNMR-UHFFFAOYSA-N 310.401 2.799 0 40 DFAB C[C@@H](c1c(F)cccc1F)N1CCC(N(C)CC(=O)O)CC1 191737116 WNQQPGGJSRLOJJ-NSHDSACASA-N 312.360 2.507 0 40 DFAB NC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C(F)(F)F 199784347 KGDLTOMAGOSJNX-QWHCGFSZSA-N 316.323 2.782 0 40 DFAB COc1ccc(C(=O)NCC2(OC)Cc3ccccc3C2)cc1 225718721 VRUVXBJJWWJZQK-UHFFFAOYSA-N 311.381 2.609 0 40 DFAB Cc1c(Br)cccc1C(=O)N1CCC(CN)CC1 88441953 GNJUVFRPXNKKKG-UHFFFAOYSA-N 311.223 2.568 0 40 DFAB O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2CC[C@@H](C1)N2 195542989 GIUILVSXXWJQLJ-ZJUUUORDSA-N 316.298 2.811 0 40 DFAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228758 LAODHJKOTTUCKY-QGZVFWFLSA-N 322.474 2.711 0 40 DFAB C[C@@](NC(=O)c1ccsc1)(C(N)=O)c1cccc(Cl)c1 96454842 UBUOXTZVKQVWBP-AWEZNQCLSA-N 308.790 2.532 0 40 DFAB CC(C)CN1C[C@@H](c2nc(-c3ccc(Cl)o3)no2)CC1=O 578600168 SUAQRMBDXJUUKY-VIFPVBQESA-N 309.753 2.955 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccncc3)C2)cc1 96192823 YALSAUMDPWOETJ-QGZVFWFLSA-N 311.341 2.612 0 40 DFAB CN(C)c1ncccc1CNC(=O)N1CCC[C@H]2CCC[C@H]21 96439074 YBRUSJQLYVBDHO-UKRRQHHQSA-N 302.422 2.622 0 40 DFAB C[C@H](NC(=O)[C@H]1COCCN1)c1ccc(-c2ccccc2)cc1 97228938 LYXIHSYTHXUIAB-KBXCAEBGSA-N 310.397 2.519 0 40 DFAB O=C(NC[C@H]1CCCCN1C(=O)C1CC=CC1)c1ccccc1 96445104 DFTTZVQXTIFZHB-QGZVFWFLSA-N 312.413 2.764 0 40 DFAB CC(C)c1nccn1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 96500039 UARPKKXSJNEBKF-LLVKDONJSA-N 303.328 2.807 0 40 DFAB O=S(=O)(NC[C@@H]1CCC[C@@H](O)C1)c1ccc2ccccc2c1 96483543 VXFAFRHFPLNGQM-CZUORRHYSA-N 319.426 2.669 0 40 DFAB CN(Cc1cnn(C)c1)CC1(CNC(=O)OC(C)(C)C)CCC1 583651699 QOJWKZFHWQIZGU-UHFFFAOYSA-N 322.453 2.547 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(C(=O)CC(C)(C)C)C1 257292109 QKBJLDTYYMMNOA-CYBMUJFWSA-N 304.438 2.736 0 40 DFAB COCCN(Cc1ccoc1)C(=O)NCCOc1ccccc1 85474501 FXVYNWFTHDKOMC-UHFFFAOYSA-N 318.373 2.517 0 40 DFAB C[C@@]1(NC(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 575419556 OFDWOBAPGMTWRM-GOSISDBHSA-N 315.438 2.943 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1cccs1 44889613 LIWLQXUGHCTVPG-LBPRGKRZSA-N 318.398 2.730 0 40 DFAB O=C(NCc1ccc(F)cc1)N(CCO)Cc1ccsc1 52121692 MLFPZDXDXYECCL-UHFFFAOYSA-N 308.378 2.591 0 40 DFAB CS[C@@H]1CC[C@@H](NCc2cn(C)nc2-c2ccncc2)C1 96494374 OTBBGKBXDCXDGK-HUUCEWRRSA-N 302.447 2.856 0 40 DFAB CC(=O)c1csc(NC(=O)c2snnc2C(C)(C)C)n1 87446341 BJHPILHMSSFWRF-UHFFFAOYSA-N 310.404 2.747 0 40 DFAB O=C1CCNc2cc(Br)cc(Br)c2N1 5337997 GJCDMUDKZUJQGC-UHFFFAOYSA-N 319.984 2.966 0 40 DFAB Cc1csc2nc(COC(=O)c3cccc(F)c3)cc(=O)n12 5632449 LZGFRDVUIYAMNN-UHFFFAOYSA-N 318.329 2.561 0 40 DFAB CCc1nc2cc(NC(=O)c3cc(C4CC4)nn3C)ccc2n1C 12147368 ZSPGPHVOHODXAL-UHFFFAOYSA-N 323.400 2.999 0 40 DFAB Cc1ccc(SCC(=O)NCCC2CCN(C)CC2)cc1 156370911 MXWRILQOXLTZRF-UHFFFAOYSA-N 306.475 2.935 0 40 DFAB Cc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C 12441442 BIGJIUSKSGIENJ-UHFFFAOYSA-N 324.490 2.702 0 40 DFAB CC1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1 5090540 CVUULZVYWFGTDF-UHFFFAOYSA-N 300.358 2.583 0 40 DFAB CN(c1ccccn1)C1CCN(c2ccnc(C3CC3)n2)CC1 1889089281 BBYQQQYFJMJMGF-UHFFFAOYSA-N 309.417 2.854 0 40 DFAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3ccccc32)c1 23386671 MOGZBYGTWXCTQD-OAHLLOKOSA-N 310.353 2.679 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 106095041 VQXXXGRHZSZBEY-SSDOTTSWSA-N 307.293 2.861 0 40 DFAB O=C(N[C@@H]1CCCC2(C1)OCCO2)C1(c2ccccc2)CC1 253425753 DGVQQWQYFDASIX-OAHLLOKOSA-N 301.386 2.520 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1ccsc1 245173964 YEBQIHFPMLGPGZ-JOCQHMNTSA-N 303.387 2.658 0 40 DFAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccc3)n2)c1 5409425 XLGADSWFYOLKCE-UHFFFAOYSA-N 322.364 2.976 0 40 DFAB Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781257 OPHAFXIDPMRTAV-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(F)ccc21 12422482 FZMHSNXMJSWQFJ-JQIJEIRASA-N 305.334 2.899 0 40 DFAB COC(=O)c1ccccc1NCC(=O)NCc1ccc(C)cc1 40005730 MQWOYFVKPVLJRQ-UHFFFAOYSA-N 312.369 2.510 0 40 DFAB COc1ccc(CN[C@@H]2CCCc3c2cnn3C)c(OC)c1 30908558 SGHDCOZBPFDUBV-OAHLLOKOSA-N 301.390 2.605 0 40 DFAB Cc1cc(N2CCOCC2)ccc1NC(=O)NC1CCCC1 31052978 OSELQUIJNBOLNQ-UHFFFAOYSA-N 303.406 2.896 0 40 DFAB Cc1nc2ccc(NCC(=O)NCc3ccco3)cc2s1 40466126 QISPYKNVUKCXEP-UHFFFAOYSA-N 301.371 2.926 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1OC 31674463 WCLQRRKMLMNSDE-MRVPVSSYSA-N 307.268 2.610 0 40 DFAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CCOC1 40514266 OORJGTICDFPOAT-NSHDSACASA-N 304.321 2.555 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1Cl 51261204 YMHQGTMORWSWSY-ZDUSSCGKSA-N 307.777 2.693 0 40 DFAB Cn1cc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 20674895 GXQWPMRCWNUKJL-FARCUNLSSA-N 311.263 2.971 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]1c1ccc[nH]1)C2 101391799 FOLXHNCNYHLIKQ-YQQAZPJKSA-N 316.449 2.877 0 40 DFAB O=S1(=O)CCN2C(c3cccc4ccccc34)=CSC2=N1 101691598 CMWUBGARMYNOEK-UHFFFAOYSA-N 316.407 2.886 0 40 DFAB CC(C)(C)c1noc(CCC(=O)NCCc2cccs2)n1 32700650 YPLHTRXNOLVZOX-UHFFFAOYSA-N 307.419 2.720 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@H]1COc2ccccc2O1 21556309 PBFKDWWSEQTGFY-LBPRGKRZSA-N 316.357 2.676 0 40 DFAB Cc1cccc(C(=O)NCc2ccccc2Cn2cncn2)c1 32818647 AURZBTWERVQFHW-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB Cc1ccc2[nH]c(C(=O)NCC(=O)NC(C)(C)C)c(Cl)c2c1 32913289 SRZIYBVXAWRINW-UHFFFAOYSA-N 321.808 2.774 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@H]2CCC[C@H]21 72286948 AKJULSFVGAHACX-KGLIPLIRSA-N 318.373 2.633 0 40 DFAB COc1ccc2nc(C(=O)N3CCO[C@H]4CCC[C@@H]43)ccc2c1 53377016 ZUOFTFCKWBPHEE-IRXDYDNUSA-N 312.369 2.637 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)NCCc2cccs2)c(C)o1 78932850 XMZWWEOYHIHLCJ-MRXNPFEDSA-N 322.430 2.707 0 40 DFAB COc1ccc(-c2noc(=O)n2Cc2ccccc2F)cc1 4966376 DEHBYIXEZJFFOU-UHFFFAOYSA-N 300.289 2.699 0 40 DFAB O=C1O[C@H](C(=O)Nc2cnc3ccccc3c2)Cc2ccccc21 23353444 XXVRZPHQRTVSBP-KRWDZBQOSA-N 318.332 2.955 0 40 DFAB C=Cn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 10119650 JSTNAJQJZKROPG-UHFFFAOYSA-N 315.720 2.939 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)oc1)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101159166 JKUIUOHKHIBIIS-WTZICCDJSA-N 301.386 2.830 0 40 DFAB CC(C)Oc1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 95457737 UUIAZIRMVVESDS-AEFFLSMTSA-N 305.418 2.902 0 40 DFAB COCCNC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 42842944 ZKZSYNJWTUGTNY-UHFFFAOYSA-N 317.364 2.752 0 40 DFAB Cc1cc([C@H](C)Nc2cc(N3CCC[C@@H]3CO)ncn2)c(C)o1 72276201 GFCGXPVYUOCMOS-GXTWGEPZSA-N 316.405 2.821 0 40 DFAB O=C(CCc1cc(Cl)cs1)N[C@H]1CCc2nccn2C1 72290538 KLNSQWKYYIRCTC-NSHDSACASA-N 309.822 2.662 0 40 DFAB O=C(Nc1nc(C(F)(F)F)cs1)NC1CCC(O)CC1 43633437 QVCUGMNOUCEXNI-UHFFFAOYSA-N 309.313 2.587 0 40 DFAB CCOc1ccc(NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 9908783 LIDRFDRILNFVAD-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB C[C@H]1CCCN(C(=O)COC(=O)Cc2ccc(Cl)cc2)C1 3254354 BHIMIXMFNWFFTL-LBPRGKRZSA-N 309.793 2.684 0 40 DFAB Cc1cc(C)c(C(=O)NCc2nnc(C3CC3)n2C2CC2)o1 97162058 SXEVKHWLHHLNKW-UHFFFAOYSA-N 300.362 2.630 0 40 DFAB COc1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 100260990 VNWBDVTYPWIZNC-IAGOWNOFSA-N 303.358 2.756 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 21818652 XGPWHSUJSHTKRQ-LURJTMIESA-N 307.655 2.796 0 40 DFAB C[C@H](CN1CCC(c2nc3ccccc3s2)CC1)C(N)=O 58159224 SUQHGLTYXGYORX-LLVKDONJSA-N 303.431 2.597 0 40 DFAB O=C(NC1CCN(CCc2ccncc2)CC1)c1ccccc1 44892226 HYBUADNEYBDTFI-UHFFFAOYSA-N 309.413 2.519 0 40 DFAB CC[C@@H]1CCCN(C(=O)Cc2csc(-c3ncccn3)n2)C1 58282211 KYPGLGMWYLZKAS-GFCCVEGCSA-N 316.430 2.791 0 40 DFAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 44979480 WWUPMZJGWCQSNR-RDJZCZTQSA-N 316.445 2.915 0 40 DFAB CCN(CC)C(=O)c1cc(Br)c2c(c1)OCCO2 58342071 BVXSCNDIWOMRMR-UHFFFAOYSA-N 314.179 2.702 0 40 DFAB COc1ccccc1-c1nc(NC(=O)C[C@@H](C)C2CC2)n[nH]1 58309510 GLKHBQUYEHWBMT-SNVBAGLBSA-N 300.362 2.855 0 40 DFAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)OCN1C(=O)c2ccccc2C1=O 102387178 JWYKJTODDJOYSZ-JHJVBQTASA-N 313.353 2.610 0 40 DFAB COc1c(CN[C@H]2CCOc3c(C)cccc32)c(C)nn1C 58421567 PCBXTSXGLOSNGK-HNNXBMFYSA-N 301.390 2.659 0 40 DFAB O=c1cc2c(nn1CN1CCC(c3ccccc3)CC1)CCC2 58404120 WKDWEPLQRRDFEL-UHFFFAOYSA-N 309.413 2.569 0 40 DFAB Nc1nc(Cl)cc(N2CC(OCCCc3ccccc3)C2)n1 72312277 JHMGTHAAUDLMCD-UHFFFAOYSA-N 318.808 2.550 0 40 DFAB Cn1c(=O)c(COc2ccc(F)cc2F)nc2ccccc21 97201372 WOZCOQHACMQRNI-UHFFFAOYSA-N 302.280 2.791 0 40 DFAB CC[C@H](C(=O)O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 59217760 DRWHJIZRESUTTJ-CYBMUJFWSA-N 316.323 2.691 0 40 DFAB C[C@@H]1CN(Cc2nc(-c3ccccc3Cl)no2)[C@H](C)CO1 45839188 FJVJGIUZGGJXFV-GHMZBOCLSA-N 307.781 2.999 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2cccc(F)c2)cc1 3405000 HVIXLPNYDPMANJ-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408696127 WNQFKNXJUQXHKK-UHFFFAOYSA-N 316.723 2.826 0 40 DFAB O=C(CCNC(=O)c1ccccc1)NCC1(c2ccccc2)CC1 8919667 CATWHXKZIXHOHF-UHFFFAOYSA-N 322.408 2.655 0 40 DFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 8983995 JQXXFJIRHIKEKN-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1Cl 4003057 UCDPEXJOLDECHK-UHFFFAOYSA-N 303.749 2.554 0 40 DFAB CCCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 9117984 QXKWYYGRKSYGDL-UHFFFAOYSA-N 303.406 2.521 0 40 DFAB O=C(Nc1cccc(SC(F)F)c1)C(=O)NC1CCCC1 65592655 PXPSTSWZJYNJCK-UHFFFAOYSA-N 314.357 2.999 0 40 DFAB COc1ccc(CC[C@H](C)NC(=O)NC2CCC(O)CC2)cc1 65566029 YDXLBAXDNZERCS-JEYLPNPQSA-N 320.433 2.619 0 40 DFAB O[C@H](CN1CCC(c2cn[nH]c2)CC1)c1ccc(Cl)cc1 65590204 XSUSPXNCMCQCGX-MRXNPFEDSA-N 305.809 2.976 0 40 DFAB CCCN1C(=O)[C@](O)(CC(=O)Cc2ccccc2)c2ccccc21 4554684 QGEGXPVRDHRTCS-FQEVSTJZSA-N 323.392 2.833 0 40 DFAB O=C(O)c1ccc(NC(=S)NCc2ccccc2)c(O)c1 408586793 QWOUWTLYZAKPMJ-UHFFFAOYSA-N 302.355 2.577 0 40 DFAB COc1ccc(OCC(=O)Nc2ccccc2NC(C)=O)cc1 4739996 LZDKWWAVUIJBBI-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB COc1c(O)c(OC)c2oc(-c3ccccc3)cc(=O)c2c1O 14757486 RBVYFSLWUBLPMG-UHFFFAOYSA-N 314.293 2.888 0 40 DFAB biogenic O=C(NCCNc1ccc2ccccc2n1)Nc1nccs1 67540953 WDGGKVPGTSESAA-UHFFFAOYSA-N 313.386 2.925 0 40 DFAB CCNC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7221546 IDOJBYRQHWHWDT-SECBINFHSA-N 322.459 2.958 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67797312 PIEKQNVKIPQQLP-INIZCTEOSA-N 323.396 2.562 0 40 DFAB CC(=O)Nc1ccc(CC(=O)N[C@H]2CCOc3ccccc32)cc1 7312727 XGYNUXOHXIDTLH-KRWDZBQOSA-N 324.380 2.828 0 40 DFAB CCc1n[nH]c([S@@](=O)Cc2ccccc2C(F)(F)F)n1 95409911 IROQXFUJPXCIIR-HXUWFJFHSA-N 303.309 2.694 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(F)cc1F 7552565 UUNPXYJEJRRKBP-CQSZACIVSA-N 322.311 2.641 0 40 DFAB C[C@@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnn(C)c1 96476736 KTWIROSYROZEQV-HIFRSBDPSA-N 322.453 2.860 0 40 DFAB COC(=O)c1cccc(CC(=O)N2CCC[C@H]2c2ccncc2)c1 95442237 BQZSYXPLIUADFK-KRWDZBQOSA-N 324.380 2.774 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(-c2ccsc2)c1 69419172 ABWWBFRTGJNONP-JTQLQIEISA-N 303.387 2.671 0 40 DFAB CC(C)c1ccc([C@H](CNC(=N)N)NC(=O)OC(C)(C)C)cc1 69656133 OCWDAGJIPCDWJL-AWEZNQCLSA-N 320.437 2.859 0 40 DFAB CCOCCC(=O)Nc1nccn1Cc1ccccc1Cl 71908897 WLNHFGGEXDUZSU-UHFFFAOYSA-N 307.781 2.950 0 40 DFAB Cn1cc([C@]2(C)CN(C(=O)C3CCCCCCC3)CCO2)cn1 95416015 SHISWKGPOZCVLM-SFHVURJKSA-N 319.449 2.855 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cscn1)C(F)(F)F 84011968 BKCLGUJQIREEQD-SNVBAGLBSA-N 319.308 2.954 0 40 DFAB CCn1cc(Br)cc1C(=O)N1[C@@H](C)COC[C@@H]1C 72293407 XYKFAGZUHVOIDO-UWVGGRQHSA-N 315.211 2.520 0 40 DFAB COCC(C)(C)NC(=O)Nc1cc(F)ccc1-n1cccn1 95964463 LMHJVRDXEBJLOG-UHFFFAOYSA-N 306.341 2.558 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1C 95964929 CDSBAMHFZFNOTO-CQSZACIVSA-N 319.430 2.595 0 40 DFAB Cc1csc(NC(=O)N[C@H](C[S@@](C)=O)c2ccccc2)n1 95963835 KSPRLDCQFWBIFM-GTJPDFRWSA-N 323.443 2.693 0 40 DFAB CC(=O)c1ccc(F)cc1OCC(=O)N(C)Cc1ccco1 89331217 AZNBETFONMWXEM-UHFFFAOYSA-N 305.305 2.659 0 40 DFAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc(Cl)o2)cn1 89755138 ISGBATBUECNFQO-NSHDSACASA-N 321.764 2.544 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)Nc1cccc(C(N)=O)c1C 75594417 WWMPMYDEDIAQNS-UHFFFAOYSA-N 314.389 2.686 0 40 DFAB CCCS(=O)(=O)CC(=O)Nc1ccc(CC(F)(F)F)cc1 76021919 NGCFHMDNKKZIOK-UHFFFAOYSA-N 323.336 2.555 0 40 DFAB O=C(NCC1(O)CCSCC1)C1(c2cccc(F)c2)CCC1 76089234 BXMYHJHINUHQEW-UHFFFAOYSA-N 323.433 2.622 0 40 DFAB COC(=O)C1(CNC(=O)c2ccc(SC(F)(F)F)o2)CC1 521396409 VHPITWFHYROQBZ-UHFFFAOYSA-N 323.292 2.575 0 40 DFAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)N(C)c2ccccc21 72404509 OTNROPZQOLUSQL-QGZVFWFLSA-N 310.357 2.718 0 40 DFAB COc1cc2c(=O)c(C(=O)c3ccccc3)cn(C)c2cc1OC 2362797545 CBOQFOLEUUUWHB-UHFFFAOYSA-N 323.348 2.787 0 40 DFAB CC(C)N(CC(=O)O)C[C@H]1CCCCN1Cc1ccccc1 79393426 FCZWXYBGQLDSQT-QGZVFWFLSA-N 304.434 2.836 0 40 DFAB Cc1nc(CC(=O)NC[C@H]2CCOc3ccccc32)c(C)s1 120034267 QNVZRRJAGJYBHD-CYBMUJFWSA-N 316.426 2.985 0 40 DFAB O=C(OCCCn1ccccc1=O)c1nccc2ccccc12 73297998 GYOHAIUDKGZMND-UHFFFAOYSA-N 308.337 2.644 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2)[C@@H]1CO 218061512 LWUQMQUMQLZFBY-ARFHVFGLSA-N 322.813 2.888 0 40 DFAB C[C@](O)(CNC(=O)/C=C/c1ccco1)c1ccc(F)cc1F 80875292 YBCUNNILPQYVCX-YERXGYGTSA-N 307.296 2.595 0 40 DFAB CCOc1ccc(C(=O)Nc2c(C)nc(OC)nc2C)cc1 224337984 BOVZTSYSSLYMIR-UHFFFAOYSA-N 301.346 2.753 0 40 DFAB CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2cncc(C)c2)C1 225501762 HDSQKRKKNASJDZ-ZBFHGGJFSA-N 305.422 2.737 0 40 DFAB COC[C@H](C)N[C@@H](c1ccc(Cl)c(F)c1)c1noc(C)n1 195566411 DMAJMAKBKSOHLH-SDBXPKJASA-N 313.760 2.884 0 40 DFAB Cn1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([C@H]2CCOC2)n1 571970158 ZMLFCFMGTDHQGM-OFQRWUPVSA-N 317.433 2.623 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCC(C)C 226851564 BNBZASLTJQSLOC-CQSZACIVSA-N 301.390 2.720 0 40 DFAB Cn1cc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cn1 80546168 RJNWGZDCVGCWLO-MRXNPFEDSA-N 316.380 2.552 0 40 DFAB COc1ccc(CCNC(=O)c2cc3c(s2)CCC3)cn1 529887683 MNUGNNZJRJDMAN-UHFFFAOYSA-N 302.399 2.613 0 40 DFAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccsc1 225754310 SKOYVQDSPFHBGC-UHFFFAOYSA-N 316.430 2.747 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc([S@@](=O)C(C)C)cc1 195534350 OJEFWQZFTBRZEB-PZPWOCDFSA-N 310.415 2.927 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)c1cc(N2CCOCC2)on1 224074824 RVGJSPOXSYEJIX-UHFFFAOYSA-N 321.764 2.725 0 40 DFAB COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C 222902310 VYYXDRWFNKCCHL-HZPDHXFCSA-N 305.418 2.698 0 40 DFAB COc1cccc(C2=CCN([C@@H]3CCN(C(C)C)C3=O)CC2)c1 195533355 WVZPTDLWIXSCCW-GOSISDBHSA-N 314.429 2.794 0 40 DFAB CC(C)NC(=O)[C@H]1CN(Cc2cccs2)CC12CCOCC2 96052090 JHKYHRYVCRBCAL-OAHLLOKOSA-N 322.474 2.501 0 40 DFAB CC(C)n1cc(S(=O)(=O)NC(C)(C)c2cccs2)cn1 96428068 KQQZGKDQESAFGK-UHFFFAOYSA-N 313.448 2.739 0 40 DFAB C[C@@]1(C(=O)Nc2nccs2)CC(c2cccc(F)c2)=NO1 96192597 HKPHYLDRXSESME-AWEZNQCLSA-N 305.334 2.804 0 40 DFAB Cc1cccc(S(=O)(=O)CCCN(C)c2c(C)noc2C)c1 97094671 GHMKMXOUHJRKCP-UHFFFAOYSA-N 322.430 2.900 0 40 DFAB C[C@H](Nc1cncc(Cl)n1)c1ccc(-n2cncn2)cc1 96453226 WGSMWLSCDVIJFD-JTQLQIEISA-N 300.753 2.884 0 40 DFAB COCc1csc(NC(=O)N[C@H](C)c2c(C)noc2C)n1 96435561 AWWYLZOUWTWWNN-SSDOTTSWSA-N 310.379 2.777 0 40 DFAB CO[C@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1 96428726 MMZGMHNBSMMMMD-MRXNPFEDSA-N 323.389 2.633 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc(N(C)C)nc1 96415806 DKTXITXHOHCBBR-JTQLQIEISA-N 317.393 2.505 0 40 DFAB O=C(NCC1=CCOCC1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 582284037 HKWAAPWTNRMORU-KOMQPUFPSA-N 304.365 2.718 0 40 DFAB COc1cc(C(=O)N(C)Cc2cc(C)on2)cc(Cl)c1OC 25136084 XONYNZQKJVDFMO-UHFFFAOYSA-N 324.764 2.926 0 40 DFAB C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 252218729 ZUTOWCUCXLEAMG-NFFDBFGFSA-N 309.431 2.586 0 40 DFAB COCc1nnc2n1CCN(Cc1ccc3ccccc3n1)[C@@H]2C 585097818 QYVXUOUTUKNNCR-CYBMUJFWSA-N 323.400 2.550 0 40 DFAB COc1ccc([C@H]2CNCCN2C(=O)c2ccccc2F)cc1 585182262 GRUMEIZOEQHYCM-QGZVFWFLSA-N 314.360 2.621 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1 69668665 KBONHKJUAWVQSN-WMLDXEAASA-N 313.401 2.689 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)o1 47073101 DLAJLSOUYOHWMB-KBPBESRZSA-N 321.421 2.595 0 40 DFAB C[C@H]1CCCN(CCN2CCN(c3ccc(F)cc3)CC2)C1 72312032 AIAHIMJENGYSDN-INIZCTEOSA-N 305.441 2.680 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2ccsc2)C1 77736773 PPIOZMQNRYJFNR-GFCCVEGCSA-N 310.419 2.621 0 40 DFAB CO[C@@H](C(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1ccccc1 97060453 IINCGRFPABPJRF-NVXWUHKLSA-N 313.401 2.644 0 40 DFAB COc1cccc(CNC(=O)CCc2nc3ccccc3[nH]2)c1 5452296 NPESKMWGJDQHNZ-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 5830752 PQSPNPSTCJGLSC-MRXNPFEDSA-N 314.385 2.942 0 40 DFAB CCOC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123934 FSCYEJFPESOKBU-UHFFFAOYSA-N 303.343 2.873 0 40 DFAB Cc1cc(C)cc(OCc2cc(=O)n3nc(C)sc3n2)c1 13367567 PBOYDXAPHFYWMO-UHFFFAOYSA-N 301.371 2.655 0 40 DFAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc3ccccc23)N1 19713321 BVSFRXZVQUAMTA-ZWKOTPCHSA-N 309.413 2.868 0 40 DFAB C[C@@H](NC(=O)C1=COCCO1)c1ccccc1Br 9500843 WQVPZAAYKCZINF-SECBINFHSA-N 312.163 2.515 0 40 DFAB COc1ccc(CCC(=O)NC[C@H](OC)c2ccco2)cc1 206859880 QVNUCBFRXMOEAT-INIZCTEOSA-N 303.358 2.725 0 40 DFAB O=C(c1ccc[n+]([O-])c1)N1CCCC[C@H](c2ccc(F)cc2)C1 206874106 JJXCOQPSTLHIIE-HNNXBMFYSA-N 314.360 2.869 0 40 DFAB O=C(c1ccoc1)N1CCC(NCc2c(F)cccc2F)CC1 30668756 NAHDHALBKMENMZ-UHFFFAOYSA-N 320.339 2.952 0 40 DFAB Cc1nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2[nH]1 40311915 CIEMMCUVRXTCBT-UHFFFAOYSA-N 309.325 2.895 0 40 DFAB COc1ccc([C@H]2CC(O)=Nc3n[nH]cc32)c(OC)c1OC 20725857 FKOCSNHOCICJRM-SECBINFHSA-N 303.318 2.559 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1 32612284 LUIUNXZDJYQWPO-UHFFFAOYSA-N 319.455 2.656 0 40 DFAB C[C@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 32899535 ADDACCIEORJAKE-LBPRGKRZSA-N 319.382 2.976 0 40 DFAB O=C1O[C@@H](C(=O)N[C@H]2CCc3ccccc32)Cc2ccccc21 32843564 TVYGVTDXBHBARU-DLBZAZTESA-N 307.349 2.572 0 40 DFAB CCn1nnc2cc(C(=O)N(C)Cc3cccs3)ccc21 33000319 VCARYBLGICOUPQ-UHFFFAOYSA-N 300.387 2.785 0 40 DFAB COc1cccc(C(=O)c2ccccc2CN2CCN(C)CC2)c1 22028131 WJIASZDEUZRVJD-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccn1 532311 ZXYNOTDPMIKKJS-UHFFFAOYSA-N 317.348 2.511 0 40 DFAB NC(=O)[C@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 93074 QKYOFOMIKYWCIN-NSHDSACASA-N 305.378 2.651 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2nnc(C)s2)c(OC)c1 147340 XKKIVSITIPMCCU-FNORWQNLSA-N 305.359 2.516 0 40 DFAB CCc1ccc(N2C(=O)C[C@@H](Cn3nc(C)cc3C)C2=O)cc1 382380 ILQINVSOJSPTPD-HNNXBMFYSA-N 311.385 2.642 0 40 DFAB O=C1[C@@H]2CSCN2C(=S)N1c1cccc(C(F)(F)F)c1 480319 AWAABSVLVVDGNV-VIFPVBQESA-N 318.345 2.712 0 40 DFAB CCCCCOC(=O)Cc1c(O)n(C)c2ccccc2c1=O 2360662 GNYZMTFLKZRDDA-UHFFFAOYSA-N 303.358 2.520 0 40 DFAB CCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 3148569 HVRCPLZWNFSFRL-SSZFMOIBSA-N 312.369 2.967 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1 3327459 DXRUCALHWFTPKZ-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCc2csc(C)n2)c(C)c1 4251653 HVCVAOCWGPACOS-UHFFFAOYSA-N 310.444 2.855 0 40 DFAB Cc1c(C(=O)Nc2nccs2)nnn1-c1ccc(Cl)cc1 4511637 SZKKORIDJKTKHA-UHFFFAOYSA-N 319.777 2.938 0 40 DFAB COC(=O)c1ccc(COC(=O)c2n[nH]c3ccccc23)cc1 5360755 REZDNOVUSGIBFP-UHFFFAOYSA-N 310.309 2.707 0 40 DFAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccnc1Cl 6012987 VVHBLSZLLLYKRJ-CMDGGOBGSA-N 316.744 2.930 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(F)cc2F)cc1 6221498 TVPROFSLYWSKML-UHFFFAOYSA-N 318.323 2.984 0 40 DFAB CCN1C(=O)/C(=C/c2ccc(Br)s2)NC1=S 6401068 KUNFEPCECPUXHY-ALCCZGGFSA-N 317.233 2.588 0 40 DFAB Fc1ccccc1NC(=S)NC[C@@H]1COc2ccccc2O1 6561326 HDJUPTFRPVYDIJ-LLVKDONJSA-N 318.373 2.952 0 40 DFAB CC[C@H](C)NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 9626243 LABVWWIWUMWCEY-JTQLQIEISA-N 324.450 2.664 0 40 DFAB CCCn1c(SCCCC(=O)c2cccs2)n[nH]c1=O 9634452 WLYDMIVANHZGRR-UHFFFAOYSA-N 311.432 2.798 0 40 DFAB Cc1nc(NC(=O)[C@H](C)NC(=O)c2cccs2)sc1C 10026229 RHYHXJPXTQDINX-QMMMGPOBSA-N 309.416 2.578 0 40 DFAB CCOC(=O)N1CCC(Nc2ncnc3ccccc23)CC1 11997259 CKWYAIJRVAVRBV-UHFFFAOYSA-N 300.362 2.663 0 40 DFAB CCCCN1C(=O)S[C@@H](Nc2ccccc2C(=O)O)C1=O 12113069 IWDKLBNJEICMLY-LLVKDONJSA-N 308.359 2.618 0 40 DFAB C1=C(CN2Cc3ccccc3OC3(CCOCC3)C2)COCC1 12122195 WKFRUPAWKSGQDX-UHFFFAOYSA-N 315.413 2.777 0 40 DFAB O=C(Nc1ccccc1Cl)c1cc(F)ccc1-n1cnnn1 12389663 VFLSWVNOKAKMHA-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccccc1)c1ccc(C)cc1 12617743 OREIRZKSAMZGQX-GOSISDBHSA-N 310.397 2.879 0 40 DFAB CCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12754767 ITHUFPIVHCDVJW-UHFFFAOYSA-N 313.401 2.653 0 40 DFAB Cc1c(C(=O)O)sc2ncn(Cc3ccccc3)c(=O)c12 13417135 KKLONASLFCQOPF-UHFFFAOYSA-N 300.339 2.513 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17052448 UVMZXUCARQBRNW-DRBLLZIRSA-N 313.397 2.927 0 40 DFAB Cc1cccc2c(=O)[nH]c(CSc3nc(C(C)C)n[nH]3)nc12 18955638 CINRXAFSXUNDHT-UHFFFAOYSA-N 315.402 2.765 0 40 DFAB O=C(c1cccc(F)c1)N1CC[C@H]1c1nc(-c2cccnc2)no1 19293527 DQOHNDZDONHCFE-AWEZNQCLSA-N 324.315 2.858 0 40 DFAB c1ccc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)nc1 19403285 OZTWNVODVAEYHC-OAHLLOKOSA-N 321.384 2.906 0 40 DFAB O=C(NC1CC1)c1ccc(NCc2nc(-c3ccco3)no2)cc1 25704466 NHVLUTAUSMRJCR-UHFFFAOYSA-N 324.340 2.834 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@@H]1COc2ccccc2O1 26177207 ZPFQTGNSODNOBD-GFCCVEGCSA-N 318.398 2.696 0 40 DFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 27337567 UEADEPVBIDPPMM-KGLIPLIRSA-N 312.413 2.802 0 40 DFAB Cc1cc(NC(=O)Cc2ccc(Br)cc2)nn1C 28573720 FLLPAEURBIVLHN-UHFFFAOYSA-N 308.179 2.672 0 40 DFAB Cn1cnnc1-c1cccc(NC(=O)Cc2ccccc2F)c1 33126665 LSICCXVHGVSZLY-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB O=C1[C@@H]2CCCN2C(=S)N1c1cccc(OC(F)(F)F)c1 33435910 UYFMUZCJOYGZFD-JTQLQIEISA-N 316.304 2.681 0 40 DFAB Cc1cc(N)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 35587895 IKNLVOIXKICSKU-UHFFFAOYSA-N 319.372 2.509 0 40 DFAB Cc1nc2ccccc2nc1Cn1ncc(Cl)c(Cl)c1=O 36778986 SLSISNYAICUGFH-UHFFFAOYSA-N 321.167 2.850 0 40 DFAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 37246301 JJCQIVDDSZNCFU-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB COC(=O)c1ccc(C)cc1OCC(=O)NC1CCCCC1 40051879 TZSURJOPPJABHE-UHFFFAOYSA-N 305.374 2.609 0 40 DFAB CC(C)[C@H]1COC(=O)N1C1CCN(C(=O)OC(C)(C)C)CC1 40448229 LWNSOVAVKNHEBI-CYBMUJFWSA-N 312.410 2.863 0 40 DFAB CCCCc1noc([C@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 40714767 IRXVMEOJZRHSLR-LBPRGKRZSA-N 318.377 2.728 0 40 DFAB COc1ccc(CNCc2cc3c(cc2OC)C[C@@H](C)O3)cn1 42202886 XQIUCPHLTOQKKJ-GFCCVEGCSA-N 314.385 2.712 0 40 DFAB COc1cc([C@@H](C)NC(=O)CC(F)(F)F)cc(OC)c1OC 44940806 LDXAEUXUOYSPEO-MRVPVSSYSA-N 321.295 2.842 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(Cl)c2)C1 45958292 OEOXZAVKUUWBEA-NSHDSACASA-N 322.792 2.768 0 40 DFAB C[C@H](NC(=O)NCc1cccnc1N(C)C)c1ccc(F)cc1 47771702 GYBKPSMPKCGLIH-LBPRGKRZSA-N 316.380 2.847 0 40 DFAB COCCOc1cc(C)ccc1NC(=O)NCc1ccccn1 47852984 BVBPWWRRHDZNJS-UHFFFAOYSA-N 315.373 2.737 0 40 DFAB CCCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 50995997 AKWVIGGHEGNIIV-HOCLYGCPSA-N 324.852 2.612 0 40 DFAB CC[C@H]1CN(C(=O)c2oc(Br)cc2C)CCO1 51083798 GBCGEJDNZAMRBU-VIFPVBQESA-N 302.168 2.602 0 40 DFAB COCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1Cl 55475698 PBQBOFAPZAUUJL-UHFFFAOYSA-N 324.808 2.845 0 40 DFAB O=C(COC1CCCCC1)Nc1ccc(-n2cncn2)c(F)c1 56091949 TZDGNBCLOPXGST-UHFFFAOYSA-N 318.352 2.694 0 40 DFAB O=C(Nc1nnc(C(F)F)s1)c1ccc(NC2CC2)nc1 61430609 NAGZWJLCEAQPCP-UHFFFAOYSA-N 311.317 2.697 0 40 DFAB CC(C)(C)N1CCCN(C(=S)NCc2cccs2)CC1 63566945 KWSULCPQAASRPL-UHFFFAOYSA-N 311.520 2.929 0 40 DFAB Cc1nc(N2CC[C@H](C(N)=O)C2)c2c(CC(C)C)csc2n1 65474479 GOTJRZAZCRMNLA-NSHDSACASA-N 318.446 2.510 0 40 DFAB CC(C)CCOc1ccc([C@@H](C)NC(=O)Cn2cncn2)cc1 65607673 KUJYNSYTKGMZQL-CQSZACIVSA-N 316.405 2.580 0 40 DFAB CC(=O)NC1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 66355499 IHMJFEKSOUEAHI-UKRRQHHQSA-N 308.466 2.966 0 40 DFAB O[C@H]1CCCc2c(OCc3nnnn3-c3ccccc3)cccc21 69150507 ULGAKTGMMBMMPE-INIZCTEOSA-N 322.368 2.611 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CCOc2ccccc21 69326318 VESZSFCGISNOPU-DZKIICNBSA-N 319.401 2.601 0 40 DFAB Cc1ccc(F)cc1NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69389654 WWNPDLHWJCIZQT-AWEZNQCLSA-N 322.405 2.774 0 40 DFAB Cc1csc(-c2cccc(NC(=O)N3CCOCC3)c2)n1 69779435 FMECOIXMYBNJSR-UHFFFAOYSA-N 303.387 2.983 0 40 DFAB C[C@H](NCc1nc(-c2cccs2)no1)[C@H](C)n1cccn1 69951355 JLFARXNTMPBITO-QWRGUYRKSA-N 303.391 2.734 0 40 DFAB CC1(C)[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)[C@H]1C(=O)O 71280755 IUAGVVBNQDQZPC-ZJUUUORDSA-N 308.334 2.731 0 40 DFAB O=C(NC[C@H](O)COc1ccccc1)c1sccc1C1CC1 71856774 BIUBEWBWUMQMDO-ZDUSSCGKSA-N 317.410 2.795 0 40 DFAB C/C=C/CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 71908033 MCGAFSHLPJTCPJ-REMYHPOOSA-N 314.429 2.930 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@@H]1CCOc2ccccc21 71916039 ODQGCRLNDSLKEE-CYBMUJFWSA-N 313.357 2.520 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)n1 72279970 FIGCEWGSZOOAJR-DOTOQJQBSA-N 319.449 2.696 0 40 DFAB CCc1cc(NC[C@@H](c2cccs2)N2CCOCC2)ncn1 72281891 HJAPCFKFKVFBLI-AWEZNQCLSA-N 318.446 2.586 0 40 DFAB c1ccc2c(c1)CCC[C@H]2[C@H]1CCCN1c1ccc2nnnn2n1 72313510 GTQHTJLNYYWXGR-HZPDHXFCSA-N 320.400 2.608 0 40 DFAB Cc1cn[nH]c1[C@]1(C)CCCN(C(=O)c2scnc2C)C1 72388837 SPKDBWLBAOZAFP-OAHLLOKOSA-N 304.419 2.677 0 40 DFAB C[C@@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)Cc1cccs1 74627851 XQBIMFYNBWAUSZ-CABCVRRESA-N 321.490 2.806 0 40 DFAB CNC(=O)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nn1 74726250 UWRHOVZEVTVTET-UHFFFAOYSA-N 319.777 2.517 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1 75155652 IECWWECREIDKEH-QGZVFWFLSA-N 303.308 2.529 0 40 DFAB CCO[C@@H](C)c1noc(CNC(=O)N[C@@H]2CCCC2(C)C)n1 78335733 VPKRKXJEDXEZAC-WDEREUQCSA-N 310.398 2.545 0 40 DFAB O=C(NCc1ccccc1CN1CCCC1)[C@H](O)c1ccccc1 78551429 NKDYZVLNKVYBOV-LJQANCHMSA-N 324.424 2.632 0 40 DFAB CC(=O)NCCCS[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 78758463 FRZHKLKRGFILBI-OLZOCXBDSA-N 320.458 2.612 0 40 DFAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccnn1C1CCCCC1 78936863 SUKZQOWJFJAFCK-GXTWGEPZSA-N 306.410 2.671 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2nccs2)cc1 79349767 AVDQEXHFQZEWDW-ZDUSSCGKSA-N 315.398 2.581 0 40 DFAB COc1cccc(CN2CCC(NC(=O)C(C)(C)C)CC2)c1 80409149 JLJJPMPWCFMMCY-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB CCOC[C@@H]1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 81497246 KYWHXEYCWHJCIQ-GDBMZVCRSA-N 305.422 2.847 0 40 DFAB CC(=O)N[C@H](C)C(=O)NCCc1cccc(-c2ccccc2)c1 83967490 ALJDJOVDOCHEMO-CQSZACIVSA-N 310.397 2.537 0 40 DFAB Cn1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1=O 84314520 VLOAMMOBHAOFLK-UHFFFAOYSA-N 321.380 2.998 0 40 DFAB c1ccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)nc1 85436011 OXSBNOCXKXYLLK-CYBMUJFWSA-N 311.341 2.507 0 40 DFAB biogenic,in-vitro CC(C)Oc1ncccc1NC(=O)N(C)CCCn1ccnc1 89887958 FYLFTCQSMFEYIE-UHFFFAOYSA-N 317.393 2.619 0 40 DFAB CC(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 89962690 DDJHNNYZDQSKLT-HNNXBMFYSA-N 323.824 2.617 0 40 DFAB COc1ccccc1CN(Cc1ccn[nH]1)C[C@@H]1CCCO1 91772157 CMAMOZKGOWOZSD-INIZCTEOSA-N 301.390 2.600 0 40 DFAB COc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)nn1C 95395646 ILDQIJVOWIQPNU-NSHDSACASA-N 313.401 2.717 0 40 DFAB CC(C)S(=O)(=O)CCCN1CCc2ccc(F)cc2[C@H]1C 95412420 JYXYXUNAOYDILX-CYBMUJFWSA-N 313.438 2.958 0 40 DFAB CCCn1c(=O)n(Cc2nnc(C(C)C)n2C)c2ccccc21 95462984 NRULFYJNWYQZEP-UHFFFAOYSA-N 313.405 2.513 0 40 DFAB C[C@H](O)c1ccn(CC(=O)Nc2ccc(C(C)(C)C)cc2)n1 95941870 BTXHGMCQFQSKRP-LBPRGKRZSA-N 301.390 2.873 0 40 DFAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O 95970649 WWCSBCMDJUMNRQ-VIFPVBQESA-N 322.748 2.517 0 40 DFAB Cc1ccc(F)c(S(=O)(=O)N2CCC(=O)c3ccccc32)c1 95972531 PAQAJTFELRXGFZ-UHFFFAOYSA-N 319.357 2.916 0 40 DFAB CS[C@H](C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95977555 PZZWOVADVMXEMR-PRHODGIISA-N 320.817 2.563 0 40 DFAB C[C@H](C(=O)Nc1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 96009655 SHIVWNRDLPMHCR-XJKSGUPXSA-N 312.369 2.992 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(C(=O)CC1=CCCCC1)C2 96039189 FFBUXBPAIVVTKC-FUHWJXTLSA-N 307.434 2.921 0 40 DFAB Fc1cccc(CN2C[C@H]3CCN(c4cnccn4)C[C@H]3C2)c1 96081507 HVTIOBJMPARZLD-HZPDHXFCSA-N 312.392 2.574 0 40 DFAB O=C(c1cscn1)N1CCC2(CN(Cc3cccs3)C2)C1 96202720 DIPZKFDLWOWZIV-UHFFFAOYSA-N 319.455 2.553 0 40 DFAB COc1ccc2c(c1)C1(CCN([C@H]3CCOC3)CC1)C[C@@H]2OC 96241864 XLYGZWGTECXOLM-KSSFIOAISA-N 317.429 2.909 0 40 DFAB CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 96244755 NCWILWOIQRWRCA-QGZVFWFLSA-N 312.413 2.609 0 40 DFAB CC(C)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1 96260723 DUYIGGMXYCVUJZ-UHFFFAOYSA-N 324.432 2.718 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)CSCc2ccncc2)C1(C)C 96414718 WMGNQAUGQHWFEV-KBPBESRZSA-N 308.447 2.635 0 40 DFAB CC[C@@H](CCO)NC(=O)Nc1cccc(OCC(F)(F)F)c1 96420106 QFGUENMCINBCTP-JTQLQIEISA-N 320.311 2.910 0 40 DFAB Cc1nc(C(C)(C)NCC(=O)NCc2cccs2)sc1C 96443574 RFLITAOMKUZYCG-UHFFFAOYSA-N 323.487 2.963 0 40 DFAB CN(Cc1nc(-c2ccco2)no1)Cc1nc2ccccc2n1C 96449185 XHBGIDSOAZMLLO-UHFFFAOYSA-N 323.356 2.848 0 40 DFAB Cc1ccccc1[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C1CC1 96472634 KBPYYDVZBWEKCC-RDJZCZTQSA-N 323.458 2.935 0 40 DFAB C[C@H]1OCC[C@H]1C(=O)NCc1ccccc1N1CCCCC1 96496666 ALZWOWHSNNCPSY-GDBMZVCRSA-N 302.418 2.718 0 40 DFAB COCc1nc(CN2CCN(C)CC23CCCCC3)cs1 97012170 FRXMADABNXQCER-UHFFFAOYSA-N 309.479 2.740 0 40 DFAB Cc1nnc(CN[C@@H](c2nc(-c3ccccc3)no2)C(C)C)o1 97034219 NFROGHUSAZCTJH-CQSZACIVSA-N 313.361 2.915 0 40 DFAB FC(F)(F)c1nnc(N2CCC(n3cccn3)CC2)s1 97098747 LJVZNDQFRIMPAU-UHFFFAOYSA-N 303.313 2.595 0 40 DFAB CN(C(=O)c1cc(F)c(O)c(F)c1)[C@@H](CCO)c1ccccc1 97140503 PAXVWAALEAIKIU-HNNXBMFYSA-N 321.323 2.866 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)Nc1ccc(C)cn1 97372811 VNSLBXLIIQTGGQ-UHFFFAOYSA-N 301.394 2.570 0 40 DFAB COC(=O)CCN(C(=O)c1ncoc1C)c1ccccc1C 97377141 AIEMIWKTNLWTQY-UHFFFAOYSA-N 302.330 2.501 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100339555 RDSKNGRXGFLMMM-QKCSRTOESA-N 304.415 2.948 0 40 DFAB O=C1[C@H](O)c2ccccc2N1CCOc1ccc(Cl)cc1 102311693 ILYQDOSKJNJIMZ-OAHLLOKOSA-N 303.745 2.799 0 40 DFAB Cn1c(S)nnc1CNC(=O)/C=C/c1cccc2ccccc12 103981509 UCQIBHNZMCPLBG-MDZDMXLPSA-N 324.409 2.587 0 40 DFAB O=C(N[C@@H]1CCCc2occc21)N1CCN2CCCC[C@H]2C1 107496884 URLVFVKAIMWIHO-DZGCQCFKSA-N 303.406 2.537 0 40 DFAB Cn1cccc1[C@@H]1COCCN1CCc1ccc2c(c1)CCO2 131794635 SLXMXDZVCPBDFX-SFHVURJKSA-N 312.413 2.576 0 40 DFAB CCN(CC)C(=O)C1CCN(C2CC(OC(C)(C)C)C2)CC1 132247886 FNBHJSJAYAOIEU-UHFFFAOYSA-N 310.482 2.913 0 40 DFAB CNC(=O)CNC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 185502282 KZZYWZSATZTCJV-JTQLQIEISA-N 319.792 2.599 0 40 DFAB CSC[C@@H](CCO)NCc1c(F)cccc1Br 192588028 DMPVTUDTXAQVLJ-SECBINFHSA-N 322.243 2.792 0 40 DFAB CC[C@@H](C(=O)O)N(C)c1ccc(I)cc1 224990491 TUOICQFBACGQHX-JTQLQIEISA-N 319.142 2.591 0 40 DFAB CC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226350620 JTGQAIPBZGUZMG-UHFFFAOYSA-N 318.354 2.786 0 40 DFAB CN1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H](c2ccccc2)C1 226752838 SZIXFUQCSHXIBK-QZTJIDSGSA-N 312.388 2.787 0 40 DFAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)O2 226761897 NXUZGKKWJNEQJT-HUUCEWRRSA-N 320.348 2.719 0 40 DFAB Cc1ccc(C(=O)n2c(N)c(C(N)=O)c3ccccc32)cc1C 226820015 LNXRNIHBYJDQKP-UHFFFAOYSA-N 307.353 2.628 0 40 DFAB NC[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242437262 BVNUZPVOFBTCNC-OAGGEKHMSA-N 321.829 2.855 0 40 DFAB FC(F)(F)[C@@H]1CCC[C@H](NC[C@H]2COC3(CCOCC3)O2)C1 249086189 BTAOOGGRDJMXNW-AGIUHOORSA-N 323.355 2.619 0 40 DFAB CCC(CC)C(=O)N1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 257212822 CFCDZPIITLTACS-CYBMUJFWSA-N 313.405 2.966 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)CCc2cccnc2)ccn1 257223972 DZSNYUQSWVNSPP-INIZCTEOSA-N 310.401 2.815 0 40 DFAB O=C(Cn1cnc2ccccc21)N1CCCC[C@@H]1c1ccn[nH]1 257242779 IECBPQONRICOJY-MRXNPFEDSA-N 309.373 2.513 0 40 DFAB Cn1nccc1-c1cnc([C@H]2CCCN2C(=O)C(C)(C)C)cn1 257335445 YKENBZUSEAJWNP-OAHLLOKOSA-N 313.405 2.587 0 40 DFAB COc1ccc(-c2cnc3n2CCN(Cc2ccncc2)C3)cc1 306143017 XQZYQSBRYFFCJK-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/c1ncc(Cl)s1 390833763 MOHJMXQQNAQPNM-OWOJBTEDSA-N 311.706 2.968 0 40 DFAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)O)C1=O 409124016 IQSUQZKSMCBPRS-WUXMJOGZSA-N 316.338 2.597 0 40 DFAB CCc1cccc(C)c1NS(=O)(=O)c1cnc2n1CCC2 547871768 GYNDSTMFNFGIHT-UHFFFAOYSA-N 305.403 2.501 0 40 DFAB C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cnn2ncccc12 582880071 TZMGNXHZOHXTOB-ZFWWWQNUSA-N 306.369 2.748 0 40 DFAB C[C@@H](O)c1ccc(C2(CNC(=O)[C@H]3CCOC3)CCCC2)s1 585370167 GQTLGFHRIUQOSN-OLZOCXBDSA-N 323.458 2.766 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2nc3ccccc3o2)CC1 1057868269 VODFUDISFWAISC-UHFFFAOYSA-N 301.390 2.959 0 40 DFAB C=CC(=O)N(CC)CC(=O)N1CCc2cc(C(C)(C)C)ccc21 1567870646 HAILYGWSJBHPFK-UHFFFAOYSA-N 314.429 2.908 0 40 DFAB Cc1nc2ccccc2nc1N1CC(Cn2cc(Cl)cn2)C1 1889176653 MTLMUSVISBNYFC-UHFFFAOYSA-N 313.792 2.925 0 40 DFAB CCN(CCNC(=O)c1oc(C)nc1C)c1ccccc1C 78903022 RKTAEQQXWXZZPJ-UHFFFAOYSA-N 301.390 2.856 0 40 DFAB Cc1c(C(=O)N2CC[S@](=O)C(C)(C)C2)oc2ccc(F)cc12 79070865 IBDQTGKDDIKAGV-JOCHJYFZSA-N 323.389 2.863 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 79190554 MMLDSGLYKUZQIA-LPHOPBHVSA-N 312.413 2.795 0 40 DFAB biogenic CCOC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O 1791313 QGRLNLDOTAGAIV-UHFFFAOYSA-N 314.293 2.995 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H](C)C3)ccc12 3231082 HSBQDORLZAYCFS-LBPRGKRZSA-N 315.369 2.739 0 40 DFAB CS(=O)(=O)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 53698622 MYMYSSMMBBJFLN-OAHLLOKOSA-N 307.440 2.875 0 40 DFAB CC1CCN(C[C@H](O)Cn2cc(C=O)c3ccccc32)CC1 6650004 IXTQJLVJGYXYNK-INIZCTEOSA-N 300.402 2.547 0 40 DFAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1 7309573 BDIBFVPBJIHCHX-ZDUSSCGKSA-N 305.399 2.777 0 40 DFAB CCCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 7690084 RFMLFAUDIOQVCA-UHFFFAOYSA-N 322.364 2.874 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)CCc1cn(C)c2ccccc12 3049319 XHATZRFPMFREQV-MRXNPFEDSA-N 313.445 2.711 0 40 DFAB O=C(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 110674672 WTDDJAWXUYWUJS-YFHUEUNASA-N 313.397 2.818 0 40 DFAB O=C1Nc2c(c(-c3ccccc3)n[nH]c2=O)[C@@H](c2ccccc2)N1 24926864 AHJBLFXCWSLFOI-CQSZACIVSA-N 318.336 2.661 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cn1 12545525 VKNRCHITKLISPV-LLVKDONJSA-N 301.346 2.538 0 40 DFAB CCn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cc2ccccc21 97017425 WFCXITAYFPVKJO-CYBMUJFWSA-N 300.358 2.598 0 40 DFAB OC[C@@H]1CCCN1c1cc(N[C@@H]2CCc3ccccc32)ncn1 106905837 IWTURUZXOPHTSX-GOEBONIOSA-N 310.401 2.537 0 40 DFAB CS[C@H](C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 56321365 LHGGKXYOVVALTG-GFCCVEGCSA-N 321.446 2.551 0 40 DFAB Cc1nnc(-c2ccccc2C(=O)OC[C@@H]2CC[C@@H](C)O2)o1 97056393 XGESWGVMRQLJEU-PWSUYJOCSA-N 302.330 2.769 0 40 DFAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 12563954 HLZKUOVCKSZVJF-GFCCVEGCSA-N 324.384 2.912 0 40 DFAB Cc1nnc(NC(=O)C2(c3ccccc3C)CCOCC2)s1 57382293 BWMWTSVGKGYTAS-UHFFFAOYSA-N 317.414 2.842 0 40 DFAB COCc1ccccc1C(=O)N[C@H](C)c1c(C)nn(C)c1C 72281004 DCABBYJACZCNRD-LLVKDONJSA-N 301.390 2.674 0 40 DFAB CN1CCCN(C(=O)CC[C@H]2CCCO2)c2cc(F)ccc21 72293347 CQLYLEHOALESOE-CQSZACIVSA-N 306.381 2.958 0 40 DFAB O=C(COC(=O)COc1ccccc1)NC1CCCCCCC1 3233123 XQGQVICBESAHGI-UHFFFAOYSA-N 319.401 2.838 0 40 DFAB CC[C@@H](NC(=O)c1ccccc1OC)c1c(C)nn(C)c1C 72527560 XFGLJHCKEAGLQI-CQSZACIVSA-N 301.390 2.927 0 40 DFAB Cc1nnc(CSc2nnc(COc3ccc(F)cc3)o2)o1 44865773 CLMWJMTUJBUSLJ-UHFFFAOYSA-N 322.321 2.771 0 40 DFAB CCc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1 12617604 OGNRXPDVWGHEQO-UHFFFAOYSA-N 302.399 2.987 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2)cs1 27877290 MWGKOELXLKOLDT-XPTSAGLGSA-N 305.403 2.744 0 40 DFAB Cc1ccc(CN(C(=O)c2ccc(-n3cnnc3)cc2)C2CC2)o1 58343453 YNFADWPGZUQKMY-UHFFFAOYSA-N 322.368 2.974 0 40 DFAB Cc1nc(C)c(C(=O)NCc2nc3ccccc3n2C)s1 58342231 NEMQBNJBMLWKOC-UHFFFAOYSA-N 300.387 2.577 0 40 DFAB CC(C)(C)NC(=O)CSc1nnc2sc3ccccc3n12 3312437 SCMDGWNXVHFMDQ-UHFFFAOYSA-N 320.443 2.951 0 40 DFAB COCCNC(=O)c1c(-n2cccc2)sc2c1CCSC2 45527181 RBCFOKGOEAERPG-UHFFFAOYSA-N 322.455 2.704 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1 29084937 MTRKGNOMDPGLRX-IBGZPJMESA-N 324.424 2.798 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H](C)C(C)C 36841340 UZDUQYQXYAEWKX-DOMZBBRYSA-N 308.397 2.741 0 40 DFAB O=C([C@@H]1CCCc2ccccc21)N1CCC(n2cncn2)CC1 60293736 JSJYHEHGRSGDCE-QGZVFWFLSA-N 310.401 2.562 0 40 DFAB O=C(Nn1cnc2sccc2c1=O)c1cc2ccccc2o1 12858298 BIFOCZWPKFDBLR-UHFFFAOYSA-N 311.322 2.588 0 40 DFAB C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCO1 97111690 TXJBTVNBEUQMPO-NOZJJQNGSA-N 300.761 2.575 0 40 DFAB O=C(Nc1nccs1)c1cccc(CN2CCCC2=O)c1 12900199 GLIWTCDXHHKUCQ-UHFFFAOYSA-N 301.371 2.518 0 40 DFAB C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 12953011 VVNQGGNNCCBEHK-CJNGLKHVSA-N 316.401 2.676 0 40 DFAB CCN1CCC[C@@H]1CN[C@@H](C)CC(=O)Nc1ccc(C)cc1 38344923 PHHSNFMWCLUIRW-DOTOQJQBSA-N 303.450 2.786 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 13255826 JUKLRYPRMCUFAZ-UHFFFAOYSA-N 304.346 2.619 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4085057 TWNZZZOKICMJNQ-BDJLRTHQSA-N 302.374 2.716 0 40 DFAB biogenic COc1cc(C2=NN=C(NC(C)C)SC2)cc(OC)c1OC 14244870 DGIHXPUZWLXTPD-UHFFFAOYSA-N 323.418 2.517 0 40 DFAB Cc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 14304670 RLTINKSUASVLRR-UHFFFAOYSA-N 311.263 2.978 0 40 DFAB CCN(Cc1ccoc1)S(=O)(=O)Cc1noc2ccccc12 96006800 NKIYTRDLQCZCOJ-UHFFFAOYSA-N 320.370 2.773 0 40 DFAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cn1 66379763 GIOYLZKUSWUPTR-UHFFFAOYSA-N 322.372 2.543 0 40 DFAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(C)ccc3C)n2)cc1 6788510 UXRHFHZXWCZLJC-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB CCCCOC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 5867754 REQIDSNLTIFFLZ-UHFFFAOYSA-N 301.346 2.779 0 40 DFAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)CCC2 15416868 KHDXWHAVOJXESV-AWEZNQCLSA-N 309.413 2.992 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCC(NC(C)C)CC2)n1 80723102 CDFPMSCBPIFMPH-CQSZACIVSA-N 324.469 2.766 0 40 DFAB CCCn1c(SCCOc2ccccc2F)nc(O)cc1=O 71794616 GVJKKWZRLLMRMU-UHFFFAOYSA-N 324.377 2.669 0 40 DFAB CCn1nnc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc21 17303783 DEYOVGJUISPADY-UHFFFAOYSA-N 306.329 2.580 0 40 DFAB O=C(Cc1cccs1)NCC1(c2ccc3c(c2)OCO3)CC1 69707237 GSQJCFNBTHDTKX-UHFFFAOYSA-N 315.394 2.867 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2c(C)nn(C)c2Cl)c1 71878631 AONSAWFSOBBUKO-CYBMUJFWSA-N 307.829 2.551 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCN2CCCC[C@@H]2C1 71839830 FCTMNBLGIPPGJU-GFCCVEGCSA-N 301.365 2.617 0 40 DFAB Fc1ccccc1-c1nc(CNCCn2cccn2)cs1 71879183 WCDWDGFWSLZDGT-UHFFFAOYSA-N 302.378 2.936 0 40 DFAB CC(C)n1ccnc1SCC(=O)NCCc1ccccc1 8746242 ONQWBNSKILRRLE-UHFFFAOYSA-N 303.431 2.915 0 40 DFAB Cc1ccc(CCC(=O)N2CCC[C@@H](n3cncn3)C2)c(C)c1 71847059 VSMRLXMDXXGVDW-QGZVFWFLSA-N 312.417 2.691 0 40 DFAB CCN1CCN(C(=O)Cc2csc(C)n2)c2ccccc21 71894345 OSHPJORADFSJEE-UHFFFAOYSA-N 301.415 2.867 0 40 DFAB CC(C)(C)NC(=O)c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 95377647 RPGKNNNPTOYOLM-HNNXBMFYSA-N 317.385 2.883 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 95396495 XUSRLDQELVZGJF-NVXWUHKLSA-N 308.466 2.811 0 40 DFAB C[C@@H](NC(=O)c1ccncc1F)[C@@H](C)Oc1ccccc1F 95400445 FNWJNHRQYDCXPN-GHMZBOCLSA-N 306.312 2.946 0 40 DFAB C[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccco1 95420673 VNGRNTNNWIGHAE-AWEZNQCLSA-N 324.384 2.966 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)cc1C 29322103 RGJLYIISIVCERJ-UHFFFAOYSA-N 319.386 2.595 0 40 DFAB O[C@H](COc1ccccc1-c1nnco1)c1ccccc1F 95974923 LCTVUXRDHFYGDT-CQSZACIVSA-N 300.289 2.988 0 40 DFAB COC(=O)c1coc(C(=O)N(C)[C@H](C)Cc2cccs2)c1 95940040 SZVNUVOCGKNTBR-SNVBAGLBSA-N 307.371 2.831 0 40 DFAB C[C@H](C(=O)Nc1nc2ncccn2n1)c1cc2ccccc2o1 75093883 RDZBXPRKXMPJRT-JTQLQIEISA-N 307.313 2.613 0 40 DFAB O=C(Cn1ncc2ccccc21)N1CCC[C@H]1c1ccncc1 89873287 ODNKCZMZRYYECL-INIZCTEOSA-N 306.369 2.795 0 40 DFAB O=C(C[C@@H]1CCCO1)N(Cc1ccncc1)Cc1cccnc1 75611221 QIOFURVADSTBRK-KRWDZBQOSA-N 311.385 2.575 0 40 DFAB c1ccc(-c2nccc(NCCc3nncn3C3CC3)n2)cc1 77225768 CLKNLHBYXUZNQW-UHFFFAOYSA-N 306.373 2.725 0 40 DFAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CC1 22690579 KXGMTAAXIUWLCA-UHFFFAOYSA-N 323.392 2.888 0 40 DFAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F 33608909 LGIMQVXEXOALRL-UHFFFAOYSA-N 304.233 2.684 0 40 DFAB OC1=N[C@H](c2cnn(-c3ccc(F)cc3)c2)N2CCCC[C@H]12 78759214 MAFULVJRLNNVPN-CABCVRRESA-N 300.337 2.835 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123398465 IGDPHSMKMOOQGM-LFYDQECSSA-N 308.462 2.722 0 40 DFAB CCC(=O)N1CCC(c2nc(C)ncc2-c2ccncc2)CC1 72334742 YBSHWCDLJYXFIK-UHFFFAOYSA-N 310.401 2.963 0 40 DFAB O=C(Nc1cccc(Cl)c1)C1(n2cnnn2)CCCCC1 36359543 XMPVJBIDONJBKZ-UHFFFAOYSA-N 305.769 2.625 0 40 DFAB C[C@@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 66088937 GPJLHLHYXAEQSN-LLVKDONJSA-N 304.781 2.604 0 40 DFAB CCCO[C@H]1CCCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 78671062 NZILGGMOWTWOJO-CVEARBPZSA-N 307.438 2.869 0 40 DFAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)N1 39407597 DOUUPKDLDFXKDX-AWEZNQCLSA-N 320.389 2.634 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1 72384871 YSVDLOGRCONHMA-NSHDSACASA-N 321.812 2.689 0 40 DFAB CN(Cc1ccc(F)c(F)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 78921905 PBIMAQRQQUIDBO-GFCCVEGCSA-N 322.277 2.560 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N2CCC(N(C)C)CC2)s1 79310202 WXRZRIKEGZTSAS-UHFFFAOYSA-N 318.389 2.824 0 40 DFAB CCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1C 72414389 PBPBVIXYKAYLBL-UHFFFAOYSA-N 306.387 2.980 0 40 DFAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCC(C)C)n1 225892708 RALIECNXCOUPPN-GFCCVEGCSA-N 321.494 2.964 0 40 DFAB COc1cc(C(F)(F)F)nc(NC(=S)NC2CCCC2)n1 226006859 URAYYWVDESGTLL-UHFFFAOYSA-N 320.340 2.733 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCC 224878790 IWYARQKFGDCFEL-ZDUSSCGKSA-N 308.397 2.869 0 40 DFAB CCOCc1cccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)c1 96403220 VDOWXGRPICFCEW-AWEZNQCLSA-N 316.401 2.634 0 40 DFAB Cn1c(CCCNC(=O)Nc2cccnc2)nc2ccccc21 96453053 YHVIVJWDNHGEGW-UHFFFAOYSA-N 309.373 2.723 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)C1=CCCCC1)CC2 96106341 GAGXHBQCAMXREF-INIZCTEOSA-N 307.434 2.779 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)c2cccnc2C)o1 96412278 WKFSAIBQEXGAFS-HNNXBMFYSA-N 300.358 2.759 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@@H]1CCCO1 96418910 POIJSUKIHBPHNF-LBPRGKRZSA-N 310.191 2.733 0 40 DFAB CC1=CCC[C@@H](C)[C@@H]1CN1CCN(CCN2CCCC2)CC1 97109386 XRZSXCOXCFAURY-RTBURBONSA-N 305.510 2.692 0 40 DFAB CCN1C[C@H](COC(=O)c2cccc(C(F)(F)F)c2)CC1=O 96416242 QJRGKSOUCKGWPG-SNVBAGLBSA-N 315.291 2.731 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(Cc1c(C)noc1C)C2 96039332 YRXNVQADONDFKO-IRXDYDNUSA-N 308.422 2.699 0 40 DFAB CC[C@](C)(NCc1nnnn1-c1ccccc1)c1nccs1 96443431 WRLHMQVKUKXKEB-HNNXBMFYSA-N 314.418 2.534 0 40 DFAB Cc1ccccc1CN1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 96245574 JHFMAHOTOZMNLG-KDURUIRLSA-N 321.424 2.594 0 40 DFAB CCOC[C@@H]1CCCN(C(=O)N[C@H](C)CC[C@H]2CCCO2)C1 245305053 HWODECNRZVUABM-BZUAXINKSA-N 312.454 2.792 0 40 DFAB CCO[C@H]1CSC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 253386098 VPAIPPFKEHZXRF-CYBMUJFWSA-N 307.415 2.512 0 40 DFAB Cc1cc(C)c2c(NC3CCC4(CC3)OCCO4)n[nH]c2n1 257285750 PIQDMGMRRJFMNT-UHFFFAOYSA-N 302.378 2.672 0 40 DFAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2ccsc2)n1 257331533 XTGUHSXVABKXSZ-AWEZNQCLSA-N 316.430 2.577 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1F 257269569 MQNGDXFNIQKDBX-PBHICJAKSA-N 318.392 2.748 0 40 DFAB C[C@@H](CNS(=O)(=O)CCC(F)(F)F)c1ccc(F)cc1 283817467 JPHMZRHRAKFAKL-VIFPVBQESA-N 313.316 2.801 0 40 DFAB CC1(C)COc2c(C(=O)N[C@@H]3CCC[C@@H](CO)C3)cccc21 298543307 YDMRQTWDPISSEP-CHWSQXEVSA-N 303.402 2.638 0 40 DFAB O=C(N[C@H]1C[C@@H](O)c2ccccc21)c1cnc2n1CCCCC2 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Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccn1 8073163 WEUOFZQEGGOIMX-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccn3C)C2)c1 81639976 KHBKOBIZMCYCQF-CYBMUJFWSA-N 314.385 2.672 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)N[C@@]1(C)CCOC1 96485122 NWTLMOLVLBXYNC-KRWDZBQOSA-N 306.406 2.590 0 40 DFAB O=C1CC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)N1 70021443 GPRACDHXUQUGDX-CQSZACIVSA-N 320.820 2.894 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)/C=C/c2cnn(C)c2)cc1 69435899 YXFPOOFFUNBVOX-DNGMOHDESA-N 313.401 2.532 0 40 DFAB O=C(CC[C@H]1CCCO1)NCC1(c2ccc3c(c2)OCO3)CC1 69520308 FUMBDCQLTXLGSN-CQSZACIVSA-N 317.385 2.522 0 40 DFAB O[C@@H](CNCc1cccc2c1OCCO2)c1ccc(F)cc1F 69561233 VYDOXGMXPCWKFY-HNNXBMFYSA-N 321.323 2.559 0 40 DFAB CCC[C@H](O)CC(=O)OCC(=O)Nc1ccc(C)cc1Cl 69978563 YDHFHKNAFOZKSU-NSHDSACASA-N 313.781 2.681 0 40 DFAB COc1ccccc1N1CCN(Cc2nc(C)c(C)o2)CC1 71821906 WLXXGAURYYIUBA-UHFFFAOYSA-N 301.390 2.622 0 40 DFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cn2ccccc2n1 83884473 DKEINZADBPCOBJ-BPUTZDHNSA-N 313.401 2.640 0 40 DFAB O=C(O)CCSCc1cccc(NC(=O)COCC2CC2)c1 95425362 RTSRXPCVOLFWPB-UHFFFAOYSA-N 323.414 2.760 0 40 DFAB COC(=O)c1cc(C)ccc1OCc1nnc(C(C)C)n1C 95462989 KTTVCUAVQYCBPG-UHFFFAOYSA-N 303.362 2.613 0 40 DFAB CN(C)c1nnc(-c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)o1 95447285 GVKUKZWBBOBHHI-KBPBESRZSA-N 312.373 2.787 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3ccc(C)c(O)c3)CC2)c1 95946606 NKUTUIKOUHSTLI-UHFFFAOYSA-N 310.397 2.971 0 40 DFAB CCc1nc(CNC(=O)NCCc2nc(C)cs2)cs1 89289945 BDWCMCTZSOZYSG-UHFFFAOYSA-N 310.448 2.512 0 40 DFAB O=C(c1ccccc1OCC1CC1)N1CC[C@H](N2CCCC2)C1 89809610 NCNYJAKWVCKYPO-INIZCTEOSA-N 314.429 2.786 0 40 DFAB O=C(NCc1cccs1)Nc1nnc(C(F)(F)F)s1 76058169 WBTGTHNLNXDXRC-UHFFFAOYSA-N 308.310 2.940 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H](C)Sc2ccccc2)no1 76084978 CSGSSVZGRZRGLY-GFCCVEGCSA-N 305.403 2.963 0 40 DFAB Cc1cc(NC(=O)COc2ccccc2F)cc(C(=O)O)c1O 20144607 QAMOJGVXSMKUJT-UHFFFAOYSA-N 319.288 2.555 0 40 DFAB Cc1ncc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)s1 79027730 WCZOPMCKXLGWOR-OAHLLOKOSA-N 319.405 2.828 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 70971506 VJCDFEZWUVBEMO-UHFFFAOYSA-N 319.445 2.814 0 40 DFAB C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccccc2)[C@H](C)CN1C 180414201 ZTOLSCYQHXNOCL-RVKKMQEKSA-N 312.461 2.905 0 40 DFAB O=C(NC[C@]1(O)CCOc2ccccc21)Nc1cccs1 75158185 HCSXDTUQVMEAJE-OAHLLOKOSA-N 304.371 2.540 0 40 DFAB CCO[C@@H]1C[C@@H](NCc2c[nH]nc2-c2cccnc2)C12CCC2 89985996 BYGNURBFYQXLMW-HZPDHXFCSA-N 312.417 2.909 0 40 DFAB O=C(NCc1cnn2ccccc12)c1cc(-c2ccccc2)n[nH]1 75162685 KTHKOXMJTOGNBP-UHFFFAOYSA-N 317.352 2.654 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccccc2CO)C1 228909988 IKZUTSYDXORNEY-AWEZNQCLSA-N 306.406 2.672 0 40 DFAB O=C(NCCO)c1cc2sccc2n1Cc1cccc(F)c1 40809122 ZTOXDTJHSFSWPU-UHFFFAOYSA-N 318.373 2.612 0 40 DFAB CC(C)NC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152733 IXOVUPUOURCJSS-LLVKDONJSA-N 307.781 2.818 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)n1 41122256 DBGHRTNYZOXYSV-BZUAXINKSA-N 311.385 2.888 0 40 DFAB Cc1nc2ccccn2c1C(=O)Nc1cccc2nsnc12 44225175 UOAHBFSEEQYWRP-UHFFFAOYSA-N 309.354 2.900 0 40 DFAB CCO[C@@H]1C[C@@H](OC(=O)c2ccc(C)[nH]c2=O)C12CCCC2 96420405 IQGRRMSBLHSMIO-ZIAGYGMSSA-N 305.374 2.578 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3nccs3)CC(=O)N2C)cc1 96181349 DKFISPOGYSNHQZ-TZMCWYRMSA-N 315.398 2.610 0 40 DFAB O[C@H](CN1CCC(c2cn[nH]c2)CC1)c1cc(F)ccc1F 97203438 QSXWEZVDQJHWPO-MRXNPFEDSA-N 307.344 2.601 0 40 DFAB CCN1CCN([C@@H](C)CNc2cccc(C(F)(F)F)n2)CC1 96453480 DOSWCTMIMCQNMM-LBPRGKRZSA-N 316.371 2.538 0 40 DFAB Cc1noc(C)c1CN1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96186691 YTJFDQWQDULTOL-NJAFHUGGSA-N 320.433 2.840 0 40 DFAB CC(C)c1noc([C@@H](NCc2cscn2)C2CCOCC2)n1 583621752 IQKNSLOANBBFDI-ZDUSSCGKSA-N 322.434 2.907 0 40 DFAB C[C@@H](NC(=O)CNC(C)(C)c1nccs1)c1cccs1 96443383 XZNDCVRLGIHHTR-SNVBAGLBSA-N 309.460 2.907 0 40 DFAB O=C(c1ccccc1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107656 CCCDEMSZWUZKMT-LPHOPBHVSA-N 324.380 2.534 0 40 DFAB O=C(NCC1(CO)CC1)N[C@@H](c1ccc(F)cc1)C1CCC1 96447341 BHYBMBSLGYQLDP-OAHLLOKOSA-N 306.381 2.739 0 40 DFAB Cc1cc2nccc(C3CCN(Cc4cscn4)CC3)n2n1 257313378 USDUBWCZMVKMIV-UHFFFAOYSA-N 313.430 2.874 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)C(C)(C)c3ccc(F)cc3)C[C@@H]2C1 257311768 UKXJMENRARBFMJ-VIKVFOODSA-N 305.393 2.987 0 40 DFAB CN1CCCC[C@H](CNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)C1 624245675 MLFMRNYWYTZYKV-QGPMSJSTSA-N 319.424 2.655 0 40 DFAB O=C(COc1ccccc1F)NCc1cncc(C2CC2)c1 575605835 BRCVKMRPPSWFQP-UHFFFAOYSA-N 300.333 2.793 0 40 DFAB COC[C@H]1CCn2nccc2CN1C(=O)CC1=CCCCC1 585098137 UMVLZRWWBSPGSO-MRXNPFEDSA-N 303.406 2.521 0 40 DFAB CCc1c(O)nc2ccc(I)cc2c1O 685937380 RPPYYHFRZILSDJ-UHFFFAOYSA-N 315.110 2.813 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)C(=O)c1cc(F)ccc1F 70038325 NAAKFVDHGMTCLK-ZETCQYMHSA-N 310.329 2.650 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2c2cc(C)ncn2)cs1 72369045 XSOLPTQQFHPKHR-GFCCVEGCSA-N 303.391 2.541 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)CC1 269838421 AUSHCEKRHXBBSE-BRWVUGGUSA-N 316.445 2.662 0 40 DFAB in-vitro Cn1ncc2c(N(Cc3ccc(F)cc3F)C3CC3)ncnc21 52447142 ZKQMEHBAIPVORX-UHFFFAOYSA-N 315.327 2.811 0 40 DFAB CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccccn1 95974458 KJYKXRUGWXCDPC-BPUTZDHNSA-N 305.422 2.725 0 40 DFAB CS[C@H](C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 88242467 QSJYOGJCCGNELN-LLVKDONJSA-N 320.389 2.726 0 40 DFAB O=C(NCCc1nc[nH]n1)N(c1ccccc1)c1ccccc1 96007741 JJHRBYGLPGLKMJ-UHFFFAOYSA-N 307.357 2.895 0 40 DFAB Cn1cc(C2CCN(Cc3cccc4c3OCCO4)CC2)cn1 97203184 QKKJVLFMFXCGCV-UHFFFAOYSA-N 313.401 2.571 0 40 DFAB CC[C@H]1CN(C(=O)N[C@H](C)c2c(C)nn(C)c2C)CCS1 78940694 KSOICRQWPIHJMZ-MFKMUULPSA-N 310.467 2.635 0 40 DFAB COc1ccc(-c2nc(CN3C(=O)CCC3=O)sc2C)cc1 79911772 DJFDARCLJCKLPP-UHFFFAOYSA-N 316.382 2.776 0 40 DFAB CCOCCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1 5000523 JDJXVIDQGFMBLJ-UHFFFAOYSA-N 320.311 2.540 0 40 DFAB CC(C)CNC(=O)c1cc(=O)c(OCc2ccccc2)co1 11856507 OQTMZBUFAFSCMN-UHFFFAOYSA-N 301.342 2.605 0 40 DFAB COCCN1Cc2cc3c(C)cc(C)cc3nc2O[C@H](C)C1=O 12115599 JHQXODVZAQLJMG-CYBMUJFWSA-N 314.385 2.608 0 40 DFAB Cc1ccc(NC(=O)N(CCN(C)C)C2CCOCC2)cc1C 207958210 IGYDWFLMELWMOU-UHFFFAOYSA-N 319.449 2.878 0 40 DFAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cscn2)C1 643914660 VBPBKRHAQFBVET-MRXNPFEDSA-N 322.405 2.952 0 40 DFAB CN1CCCC[C@@H]1C1CCN(C(=O)C2CC(F)(F)C2)CC1 1614928898 OVDZHEPSTJEPHZ-CQSZACIVSA-N 300.393 2.755 0 40 DFAB C[C@H](O)CN(C[C@H](C)O)c1ccc2c(c1)Cc1cc(F)ccc1-2 1687574 XQGIPTZYDFQCJB-STQMWFEESA-N 315.388 2.965 0 40 DFAB CCCCN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2 12345486 XDLPVYLQHJQJJK-CQSZACIVSA-N 319.792 2.590 0 40 DFAB Cc1ccc(N2C[C@@H](c3noc(-c4ccccn4)n3)CC2=O)cc1 49060430 XBWUIYIEFOEYRU-ZDUSSCGKSA-N 320.352 2.961 0 40 DFAB Cc1ccn2c(=O)cc(COc3ccc(F)cc3F)nc2c1 31712750 PTFZYXUMDFNOGW-UHFFFAOYSA-N 302.280 2.860 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 31894365 ZLYFWJBIVLBZSE-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(CC)cc1 32812596 CXORURXRDPLOQE-HNNXBMFYSA-N 302.374 2.782 0 40 DFAB CCC(=O)N1[C@H](C(=O)OC)Cc2c([nH]c3ccccc23)[C@@H]1C 487051 NFQNBDGQHZZOSN-HZMBPMFUSA-N 300.358 2.565 0 40 DFAB biogenic Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1 60800150 RBFGFKZAXXBFPC-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 2708351 BLIGYOLZLBADOO-INIZCTEOSA-N 311.337 2.806 0 40 DFAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(O)cc1 422587 HAMNNSOCVPJBEY-UHFFFAOYSA-N 321.402 2.714 0 40 DFAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1 559863 DTNIXMALNXPRGH-UHFFFAOYSA-N 316.382 2.831 0 40 DFAB O=C(c1ccon1)N1CC(OCc2cccc3ccccc23)C1 78998179 YADXTICKILGFEP-UHFFFAOYSA-N 308.337 2.869 0 40 DFAB COC(=O)N1CC[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)C1 79055481 HSOIIYYACXSUKF-SNVBAGLBSA-N 322.748 2.657 0 40 DFAB COc1cccc(CC(=O)Nc2nc(C)c(C(C)=O)s2)c1 7718178 SCJPCOPREGUEPC-UHFFFAOYSA-N 304.371 2.844 0 40 DFAB O=C1C=C(N2CCc3ccccc3C2)C(=O)N1c1ccccc1 8559819 NESFDAWHRRNPGA-UHFFFAOYSA-N 304.349 2.502 0 40 DFAB CCN(CCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 25044989 UKBCYRKRNYYMBP-UHFFFAOYSA-N 323.396 2.606 0 40 DFAB CCCc1nnc(NC(=O)NC[C@@H]2Cc3ccccc3O2)s1 43555973 RSAWNRMSTWVBOY-NSHDSACASA-N 318.402 2.616 0 40 DFAB O=C(c1cccc[n+]1[O-])N1CCCc2cc(OC(F)F)ccc21 56237810 ONYAVHMPIZNNIM-UHFFFAOYSA-N 320.295 2.514 0 40 DFAB CCOc1cc(Cl)ccc1CNC(=O)Cc1cccnc1 95434604 NEQAFWZGDUIHDX-UHFFFAOYSA-N 304.777 2.993 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2c(F)cccc2F)c1 3239064 ACTYIRRGPAOTLX-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CN(C)c1ccc(CNC(=O)NCc2cc3ccccc3o2)cn1 44954684 GFWBAWCPHPEVLG-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)c1ccnc(-n2ccnc2)c1 58330442 OEYVIFJDUNFJMF-LBPRGKRZSA-N 312.398 2.690 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2cccs2)C1 27954343 QFHLJXJUNZGVAX-CHWSQXEVSA-N 314.476 2.862 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1c(-n2cccc2)sc2c1CCC2 36358406 NFMBEVPJSJGKOH-LBPRGKRZSA-N 316.426 2.936 0 40 DFAB CC(C)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 12787201 QQSQQIJJMTVQTL-UHFFFAOYSA-N 322.474 2.715 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 3320074 LCEZRCUWRORERE-UHFFFAOYSA-N 303.314 2.701 0 40 DFAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc(-n2cncn2)cc1 12920930 RNKFZBWGFFETSO-ZDUSSCGKSA-N 324.359 2.826 0 40 DFAB CCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 12947306 IXOFRVRPSKXMCF-UHFFFAOYSA-N 316.382 2.754 0 40 DFAB CS(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 49052985 OHCDTICTMLEEPG-UHFFFAOYSA-N 302.808 2.513 0 40 DFAB C[C@H](NCC(=O)Nc1ccncc1)c1ccc(-n2cccn2)cc1 97033601 AUOXGVDIHHNKCK-AWEZNQCLSA-N 321.384 2.557 0 40 DFAB CC(C)n1ncc2c1NC(=O)C[C@H]2c1cc2ccccc2[nH]c1=O 71280988 DIYQRMSPDWYZMT-LBPRGKRZSA-N 322.368 2.780 0 40 DFAB Cc1cccc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1 97047159 PPNRGSYXCZWZEZ-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB CC1(C)CN(C(=O)NCc2cccc(OC(F)F)c2)CCO1 65291926 VUHNVEVAEVVUKY-UHFFFAOYSA-N 314.332 2.608 0 40 DFAB CCOC(=O)NC1(NCc2ccccc2)Oc2ccccc2O1 21486546 OVBADZUBJQQZFR-UHFFFAOYSA-N 314.341 2.605 0 40 DFAB Cn1cccc1[C@H]1CCCCCN1C(=O)CN1CCSC1=O 65575131 HOJBTEXJHAKNFX-CQSZACIVSA-N 321.446 2.638 0 40 DFAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CC[C@H]1c1ccccc1 65552557 MCUIMPWHAQQLKL-IRXDYDNUSA-N 322.412 2.667 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 14110912 OVJBJJWTRHQFOR-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB COc1cccc(CN(C)C[C@@H](O)COc2ccc(F)cc2)c1 14200860 GOHLFSJZRFSWMZ-MRXNPFEDSA-N 319.376 2.706 0 40 DFAB CC[C@@H](OC)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 65880297 FBZQKRIQMVKJGQ-OAHLLOKOSA-N 301.390 2.694 0 40 DFAB O=C([C@@H](Sc1cccc[n+]1[O-])c1ccccc1)N1CCCC1 5466417 CTKKNEZJVXEUCC-INIZCTEOSA-N 314.410 2.776 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)c1cccc2ncccc12 72281122 UQRZVEQAONCZPB-OAQYLSRUSA-N 304.415 2.512 0 40 DFAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccnc(C2CC2)n1 66374569 XPJZUKYUDBMDFC-UHFFFAOYSA-N 305.341 2.996 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1ccc(Cl)cc1 19736160 OHHPGQJJXGJQFK-UHFFFAOYSA-N 306.749 2.948 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1C 5937698 WHQPTYAVZMCXMF-UHFFFAOYSA-N 314.385 2.561 0 40 DFAB Cc1csc(=O)n1CCSc1nncn1-c1ccccc1 9368754 BKPIXQUALLCZKF-UHFFFAOYSA-N 318.427 2.591 0 40 DFAB C[C@H](OC(=O)C1CC1)C(=O)Nc1ccccc1C(F)(F)F 7303708 IRDQZXYNJAQJOW-QMMMGPOBSA-N 301.264 2.986 0 40 DFAB Fc1ccc2c(c1)[C@@H](N[C@H]1CCc3[nH]ncc3C1)CCCO2 90455130 FVQJTDJIXALFKE-BBRMVZONSA-N 301.365 2.910 0 40 DFAB NC(=O)c1ccc(CSc2nc(-c3cccs3)n[nH]2)cc1 9456105 JCGXDLNXWBQSRL-UHFFFAOYSA-N 316.411 2.924 0 40 DFAB O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCSCC1 97143243 XMETVGSRLYZFFK-CABCVRRESA-N 306.431 2.665 0 40 DFAB CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC(n2cncn2)CC1 71799719 XUCHBWHLISBJSI-JKSUJKDBSA-N 319.453 2.839 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@@]1(C)CCCO1 97147391 XUAVITPDEDDSGT-YVEFUNNKSA-N 322.453 2.876 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1N1CCOCC1 69349244 STEVOMCBYVPOIB-SFHVURJKSA-N 322.408 2.941 0 40 DFAB O=C(NC[C@H](O)C1CCCCC1)c1ccn(-c2ccccc2)n1 69493925 QOGGLIDFDXNMOX-KRWDZBQOSA-N 313.401 2.543 0 40 DFAB COCC[C@@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 69483717 VCCMVLMTDCUPLV-CZUORRHYSA-N 322.405 2.791 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@]1(C)CO 97165937 JRECJIPJGJAFTA-CXAGYDPISA-N 306.406 2.621 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1ncnc2ccsc12 8723809 WANZMGPTENSPLS-UHFFFAOYSA-N 323.381 2.564 0 40 DFAB CCN(CCO)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl 97298752 SOVZRGYBRMDUIG-VIFPVBQESA-N 306.189 2.602 0 40 DFAB O[C@H]1C[C@H](c2cc(F)ccc2F)N(CCc2ccncc2)C1 95433958 LLCJMEVKERMJSP-WMLDXEAASA-N 304.340 2.710 0 40 DFAB C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc2c(c1)OCCO2 95968116 CIOQTQBKEYNBPF-GTJPDFRWSA-N 311.447 2.656 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1cccc(F)c1F 95986035 LQWVBOYCXNAZPH-MRVPVSSYSA-N 308.332 2.594 0 40 DFAB Cc1nsc(NC(=O)c2ccc(Br)c(O)c2)n1 95978903 SYLKIJQIOPQTNY-UHFFFAOYSA-N 314.164 2.567 0 40 DFAB CC(C)(C)c1ncsc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 89510862 IGYKLPVGNJNNHQ-OLZOCXBDSA-N 316.426 2.829 0 40 DFAB c1coc(-c2nc(CCNc3cnc4ccccc4n3)n[nH]2)c1 75140736 RBOIEFRCCATJFH-UHFFFAOYSA-N 306.329 2.663 0 40 DFAB c1ccc(CN2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1 89647519 WCUNQKLIMLRCCL-HNNXBMFYSA-N 307.357 2.864 0 40 DFAB CC(C)n1cc(NC(=O)N2CCc3ccccc3[C@H]2CO)cn1 89894046 LDDNNPFVPVGVTH-MRXNPFEDSA-N 314.389 2.588 0 40 DFAB COc1cc(OC)c(NCc2cc[nH]n2)cc1Br 121787130 RCPUDDDDZKCTHA-UHFFFAOYSA-N 312.167 2.802 0 40 DFAB C[C@H](NC[C@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2 185778662 LVURZCHBZZCZNA-CSDRPOHMSA-N 307.478 2.970 0 40 DFAB O=C1C=C(Nc2cccc(-c3cc4ccccc4oc3=O)c2)CN1 524730868 AFMWGCJWTHAZOM-UHFFFAOYSA-N 318.332 2.886 0 40 DFAB biogenic CSCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 77780653 KCAWJBKNWYEQDS-UHFFFAOYSA-N 308.447 2.810 0 40 DFAB CO[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)c1ccccc1 79310653 HVYUWWRJHKBJAS-OAHLLOKOSA-N 308.341 2.798 0 40 DFAB CNC(=O)CCOC(=O)c1cc(Cl)cc(C(F)(F)F)c1 125207161 OYOHZNVQIDJAQH-UHFFFAOYSA-N 309.671 2.652 0 40 DFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 31850805 SFOGWQMZUDYIJC-CYBMUJFWSA-N 321.442 2.969 0 40 DFAB Cc1ccnc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203056 LCKVNTIDJDWBRP-CYBMUJFWSA-N 306.410 2.844 0 40 DFAB CC(C)(C)c1noc([C@H]2CC(=O)N(Cc3cccs3)C2)n1 38671158 OPNWJBATMFFXLZ-JTQLQIEISA-N 305.403 2.945 0 40 DFAB CCCOc1nc(C)ccc1C(=O)NCCOCC1CCC1 562312886 OEHXMBZNHHXCCP-UHFFFAOYSA-N 306.406 2.725 0 40 DFAB COc1c(Cl)cccc1NC(=O)NCc1nncn1C1CC1 85576178 TWQSBKXSWJZMBJ-UHFFFAOYSA-N 321.768 2.597 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cn1 225892859 QQWZOIOMHXAPLG-MRXNPFEDSA-N 310.394 2.641 0 40 DFAB CCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152639 QCXKGFRVUYEMEJ-LLVKDONJSA-N 307.781 2.819 0 40 DFAB CCOC(=O)Cc1ccc(-c2nn3cnnc3s2)cc1Cl 41126919 SKBSBCSYBRPSPQ-UHFFFAOYSA-N 322.777 2.612 0 40 DFAB O=C(NCc1cccnc1-c1ccsc1)NC1CCOCC1 225648653 ALCJDYNEBMLMJH-UHFFFAOYSA-N 317.414 2.788 0 40 DFAB CCn1ccc(=O)nc1SCc1csc([C@@H](C)OC)n1 96447723 BKVRYVCHQDBCPL-SECBINFHSA-N 311.432 2.719 0 40 DFAB CC[C@](Br)([C@@H](O)c1ccccc1C)S(C)(=O)=O 96521555 ZFFXKKLJRRLSLI-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 96227300 DUYFJRUSHJOMCD-YOEHRIQHSA-N 319.380 2.594 0 40 DFAB CC[C@@H]1C[C@@H](C(=O)Nc2ncnc3[nH]c(C)c(C)c23)CCO1 97084577 UICGSTSBBFKOCR-NWDGAFQWSA-N 302.378 2.718 0 40 DFAB Cc1conc1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 96503083 YKFBMCVSHFZDDG-UHFFFAOYSA-N 322.173 2.673 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1 95871289 LEQMRTORHHGRIW-GJZGRUSLSA-N 303.406 2.580 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)n1 331796684 LCNWPQSNYPNBGK-ZFWWWQNUSA-N 316.401 2.843 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@H](O)c1ccc(F)cc1 96445775 CZJRQEYSTOSIIJ-INIZCTEOSA-N 316.376 2.704 0 40 DFAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccsc2)c1 96426589 MIUYNMPLWMLADT-UHFFFAOYSA-N 310.400 2.680 0 40 DFAB C[C@@H]1CCO[C@H]1C(=O)Nc1cc(Br)ccc1O 97228858 MUZBTXQYPKVADS-RDDDGLTNSA-N 300.152 2.518 0 40 DFAB CN1CCC[C@H](Cc2cnc(-c3cccc(C(=O)O)c3)cn2)C1 257230928 GENGXGMPBXPXGA-CYBMUJFWSA-N 311.385 2.726 0 40 DFAB CC(=O)N1CCN(CCC(F)(F)F)[C@H](c2ccccc2)C1 257208337 BLTCOGXULIHFQH-AWEZNQCLSA-N 300.324 2.844 0 40 DFAB COc1ccc2sc(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)c(C)c2c1 263205345 KOVOIFZYLNNPHN-AOOOYVTPSA-N 319.382 2.811 0 40 DFAB CN(Cc1cscn1)c1ccc2nnc(C(C)(C)C)n2n1 274840586 VNBLKBACAIVEJO-UHFFFAOYSA-N 302.407 2.515 0 40 DFAB Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)[C@@H]1C[C@H]1F)CC2 585110446 XMBDCWBYLPMMJK-HUUCEWRRSA-N 313.376 2.670 0 40 DFAB Cc1nc2ccccc2n1C1CN(C(=O)C2CC(F)(F)C2)C1 1776008520 JODWDUSCRXWWLI-UHFFFAOYSA-N 305.328 2.773 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccccn1 55516438 BHCISSGSRBOQBC-INIZCTEOSA-N 324.380 2.759 0 40 DFAB CCOC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)C1 81434750 AVGPBFUQCZEYDG-SNVBAGLBSA-N 306.387 2.989 0 40 DFAB CCCc1noc([C@@H]2CC(=O)N(CCc3cccs3)C2)n1 38671172 QESMKVGGPIOKNK-LLVKDONJSA-N 305.403 2.642 0 40 DFAB Cc1cc2ccccc2n1CC(=O)Nc1ccnc2ccnn12 76640490 ZTXSJPZJQBEUHQ-UHFFFAOYSA-N 305.341 2.631 0 40 DFAB Cc1nc(CS[C@@H]2CCCN(c3cccc(F)c3)C2=O)no1 96406741 ZUPZVIFFLXPMLA-CYBMUJFWSA-N 321.377 2.946 0 40 DFAB CCOc1c(Cl)cccc1NC(=O)N[C@@H](C)C[S@](C)=O 97107363 YSRNYHASUOSDIE-GWNMQOMSSA-N 318.826 2.627 0 40 DFAB O=C(NC[C@]1(O)CCSC1)Nc1cc(Cl)ccc1Cl 83064000 VAPCBILLPHRANA-GFCCVEGCSA-N 321.229 2.983 0 40 DFAB Cc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)o1 103756 BQRHESFDZVFBFJ-LBPWLNMHSA-N 306.387 2.668 0 40 DFAB Cc1ccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1 199596 SUFIKUPRTQMWKB-ZROIWOOFSA-N 323.377 2.576 0 40 DFAB CCOC(=S)SCC(=O)NC(=O)Nc1ccc(C)cc1 5718179 VQODUXGGJDEMDC-UHFFFAOYSA-N 312.416 2.698 0 40 DFAB COc1ccc(NC(=S)NCc2ccc(C(=O)O)cc2)cc1 13813141 JSHDLVPXUQNGFJ-UHFFFAOYSA-N 316.382 2.880 0 40 DFAB COc1c(-c2ccccc2)oc2c(OC)c(O)cc(O)c2c1=O 14757320 OWQLBLNRUZULFV-UHFFFAOYSA-N 314.293 2.888 0 40 DFAB endogenous,in-man O=C1OC(Cc2ccccc2)=N/C1=C/OC(=O)c1ccccc1 1561830 KRVPGCSPAPHGSZ-NTCAYCPXSA-N 307.305 2.883 0 40 DFAB CCOc1cccc2sc(NC(=O)C3=COCCO3)nc12 4275408 JLYATUUOXNOFSS-UHFFFAOYSA-N 306.343 2.522 0 40 DFAB CCOc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1 15912306 JEMFSVAXFMATEJ-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB CCn1nccc1C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 575618164 SRNJXLOXRDHXAK-CQSZACIVSA-N 323.400 2.648 0 40 DFAB Cn1nccc1-c1cncc(CNC(=O)Nc2cccs2)c1 575617581 XLJFZPSLWBDDON-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB c1cnc(OC[C@@H]2CCCN(c3nc(C4CC4)ns3)C2)cn1 2298183896 WKDGLXRXFQWTMT-LLVKDONJSA-N 317.418 2.501 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](C(F)(F)F)C1 40462007 IGNROHNXEOXWTR-JTQLQIEISA-N 301.264 2.830 0 40 DFAB COc1ccc(C[C@H]2CCCN2Cc2ccn(C)c(=O)c2)cc1 52133540 FWEKSUSFVWLIRA-QGZVFWFLSA-N 312.413 2.601 0 40 DFAB COc1cccc(CN(C)C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1OC 102439758 JWYZHYMSUQOFDQ-YDHLFZDLSA-N 301.386 2.874 0 40 DFAB O=Cc1c(Sc2ccc(F)cc2)nc2ccccn2c1=O 32826080 QFWSWAUYUVKAEF-UHFFFAOYSA-N 300.314 2.797 0 40 DFAB COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C 122409 ULFPNWOMLPIMLQ-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 175706 MVCSYOGBCOWARO-UHFFFAOYSA-N 308.337 2.602 0 40 DFAB Cc1nc(SCC(N)=O)c2c3c(sc2n1)C[C@@H](C)CC3 413931 NRGGHWZGPAJKJG-ZETCQYMHSA-N 307.444 2.702 0 40 DFAB COc1cccc(C(=O)CSc2nnc(C3CC3)n2C)c1 416686 MHCAQYZXIZZZAN-UHFFFAOYSA-N 303.387 2.676 0 40 DFAB Cc1nnc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)s1 76909326 UAVDAIKQUFDTOT-CYBMUJFWSA-N 302.403 2.989 0 40 DFAB Cc1ccccc1N1CCN(CCCOc2ccccn2)CC1 1846333 CRXVPWCHOPXHMN-UHFFFAOYSA-N 311.429 2.981 0 40 DFAB in-man CCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3097386 DJHAARZAGIPOFQ-UHFFFAOYSA-N 308.337 2.627 0 40 DFAB CSCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 53943877 XUMNTXSWWRSJQP-UHFFFAOYSA-N 307.415 2.706 0 40 DFAB CCN(CC)CCOc1c(Br)cccc1CO 42412460 PZFYLYVTEUJMRP-UHFFFAOYSA-N 302.212 2.662 0 40 DFAB COc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1 3093866 XASPQJOOMTZINO-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[nH]c1=O 54563195 KURYOWXFJLFXRE-LBPRGKRZSA-N 323.462 2.524 0 40 DFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1 8132206 RGRRNWSYPYKNAI-JTQLQIEISA-N 319.386 2.677 0 40 DFAB O=C(C[C@H]1Sc2ccccc2NC1=O)OC[C@H]1CCCCO1 8345947 LNLGMHOZWYQYLE-BXUZGUMPSA-N 321.398 2.602 0 40 DFAB CCNC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 8685992 WCUZGPWNLKYWDA-AGUYFDCRSA-N 307.463 2.649 0 40 DFAB CC(C)CN1CCN(Cn2c(=S)n(C)c3ccccc32)CC1 42912299 YQXVDUHOMRIFII-UHFFFAOYSA-N 318.490 2.940 0 40 DFAB C[C@H]1CCCN(C[C@H](C)NC(=O)NCc2ccccc2F)C1 106137994 LWRLNZCDKICOAT-KBPBESRZSA-N 307.413 2.745 0 40 DFAB Cc1nccc(CNC(=O)NCCSCc2cccs2)n1 56472998 OQXFXCXNAHGPBT-UHFFFAOYSA-N 322.459 2.579 0 40 DFAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1C[C@H]1C1CC1 107359591 NJLLBWRGJYAQCZ-WDSOQIARSA-N 312.457 2.713 0 40 DFAB CC(C)(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(N)=O 57255856 NLRBEIJXJSZKBP-UHFFFAOYSA-N 306.749 2.594 0 40 DFAB CCc1nnc(NC(=O)[C@H](c2ccccc2)N2CCCC2)s1 57776392 HUOJWUYSRBEDDK-AWEZNQCLSA-N 316.430 2.876 0 40 DFAB CC(C)c1ccc2nc(-c3cccc(C(N)=O)c3)[nH]c(=O)c2c1 57771919 WWEQZDHSFXAJEU-UHFFFAOYSA-N 307.353 2.812 0 40 DFAB COC(=O)[C@H]1CC(=O)N(C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)C1 103545056 WGNIVJQKVYYUOZ-SJDRPPIWSA-N 305.418 2.757 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)no1 58245470 KJZIYGRLKUQYNX-RYUDHWBXSA-N 323.393 2.549 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cnc21 44951350 JYZCRXUEGDRQPS-VXGBXAGGSA-N 317.393 2.653 0 40 DFAB O=C(c1cnc(-c2ccccc2)nc1)N(C[C@@H]1CCOC1)C1CC1 58368831 AMQFANZZBYWGEX-AWEZNQCLSA-N 323.396 2.785 0 40 DFAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@@H]1c1cccc(F)c1 58314819 UVFUTHHQAXNHRV-OKZBNKHCSA-N 323.408 2.519 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355023 ICFBIUNUNBPFBG-CZUORRHYSA-N 306.381 2.652 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2cccnc2Cl)cc1 3301949 GDVRDHPFPCNOMM-UHFFFAOYSA-N 318.760 2.517 0 40 DFAB COc1ccccc1N1CCN(Cc2nnsc2Cl)CC1 29630252 GHIWIHYRGYRMIM-UHFFFAOYSA-N 324.837 2.522 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2ccccc2F)n1 48333718 REGFTGWIERMLMF-LBPRGKRZSA-N 303.381 2.634 0 40 DFAB O=C(CSc1nc2ccccc2o1)OCC(=O)c1ccco1 12858933 YTEVVWKMTJRHLP-UHFFFAOYSA-N 317.322 2.939 0 40 DFAB O=C(CCc1ccccc1Br)Nc1nncs1 48546536 OEIMLRLQJQJJRM-UHFFFAOYSA-N 312.192 2.872 0 40 DFAB COc1ccc(OC)c(/C=C/C(=O)Nc2nnc(C)s2)c1 3557768 PADAAQAKYPMJSN-QPJJXVBHSA-N 305.359 2.516 0 40 DFAB CCc1nc2sc3c(c2cc1C)NC(=O)[C@H]1CCCN1C3=O 8974610 REZNUECAEULNEM-LLVKDONJSA-N 315.398 2.724 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCCc3ccccc3)nn2)cc1 13355554 AKNIJXOLIKMKNT-UHFFFAOYSA-N 306.369 2.548 0 40 DFAB c1ccc(-n2cnc(CN3CCC[C@@H]3c3ccncc3)n2)cc1 92807973 BPFKKBMECZAAQF-QGZVFWFLSA-N 305.385 2.999 0 40 DFAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)C)c1 64430028 GKEASLRDUWYDCL-INIZCTEOSA-N 306.406 2.794 0 40 DFAB O=C1C[C@@H](NC(=O)N2CCc3ccccc32)CN1c1ccccc1 4359888 MGUXQFTWSOODRT-OAHLLOKOSA-N 321.380 2.564 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)OC 6358422 RTJRJJAYQDFMTN-MAZHCROVSA-N 318.417 2.951 0 40 DFAB O=C(Cn1nccc1-c1ccncc1)Nc1ccc(F)c(F)c1 65547833 SVOKJFUDUNYXOY-UHFFFAOYSA-N 314.295 2.862 0 40 DFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1 5391382 CVQLUXBVKXGICD-NSHDSACASA-N 302.330 2.729 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@@H](N2CCCCC2)C1 71886626 YSZGHOPJVYIWPH-CQSZACIVSA-N 318.421 2.572 0 40 DFAB COc1ccccc1N[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9221004 KOXVELQHMFEHPL-LLVKDONJSA-N 314.341 2.863 0 40 DFAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H]2c2cc(C)on2)n1 71828060 UJMGLHJJROYMPW-DZGCQCFKSA-N 302.378 2.721 0 40 DFAB O=C(CNC(=O)c1csc2ccccc12)NCc1ccco1 9314198 BLJSXNCWBZTGML-UHFFFAOYSA-N 314.366 2.541 0 40 DFAB CC(C)Cn1nc(C(=O)OC[C@H]2C[C@H]2C)c2ccccc2c1=O 67900656 FWPSXDUECQOCPZ-CHWSQXEVSA-N 314.385 2.865 0 40 DFAB CC[C@@H](C)NC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 80659245 FMWLFXZNTMYNAY-NVXWUHKLSA-N 303.450 2.948 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2C)c1C 7644580 FIXDKPJCPWWYHX-SNVBAGLBSA-N 320.418 2.635 0 40 DFAB c1cnn(CCNCc2ccc(OCc3ccncc3)cc2)c1 71819654 QNHLXSTXNJYRPT-UHFFFAOYSA-N 308.385 2.647 0 40 DFAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NC2CC2)CC1=O 17121068 FASOHULWIZKRPZ-OLZOCXBDSA-N 300.402 2.832 0 40 DFAB O=S(=O)(CCN1CC[C@@H](c2ccccc2)C1)c1ccccc1 69592157 ZGCIAZAXRUWHST-QGZVFWFLSA-N 315.438 2.950 0 40 DFAB COCCNC(=O)c1sc(COc2ccc(C)cc2)nc1C 17321658 VTOBFQAIJTZRLJ-UHFFFAOYSA-N 320.414 2.715 0 40 DFAB CN(C)c1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1 20560407 CUCMPTXLHUJGCY-UHFFFAOYSA-N 302.769 2.826 0 40 DFAB CC(=O)NCCCOc1c(F)cc(F)cc1Br 97085732 PGGNPIMJZPYWHQ-UHFFFAOYSA-N 308.122 2.632 0 40 DFAB CC1(C)C[C@@H](NCc2cnn(CC(F)(F)F)c2)C(C)(C)O1 97017353 IASFLUPREGERIY-LLVKDONJSA-N 305.344 2.881 0 40 DFAB COc1ccc(CC(=O)Nc2nc3cc(F)ccc3n2C)cc1 72303505 YQMOQNOPHXBETO-UHFFFAOYSA-N 313.332 2.902 0 40 DFAB COC[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 95420548 AVTPXMOVCSGYBW-SFHVURJKSA-N 324.415 2.944 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)N[C@@H]1CCCS(=O)(=O)C1 95984995 ADHQVFIUOTXETA-KBXCAEBGSA-N 317.454 2.938 0 40 DFAB COCCN(Cc1ccccn1)C(=O)N1[C@H](C)CCC[C@H]1C 95984077 HPMCJVQHFAULCN-HUUCEWRRSA-N 305.422 2.913 0 40 DFAB CCc1cnc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)s1 74843299 CZLSVWNXRCCHPG-LLVKDONJSA-N 319.434 2.518 0 40 DFAB Cc1ccc(CNC(=O)Nc2cnn(-c3ncccn3)c2)c(C)c1 75146718 WPCMQOYPBDVDBS-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)CCOCc2ccccc2)no1 76043121 NGBIAVQUGKYDNI-OAHLLOKOSA-N 315.373 2.648 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@](C)(C(=O)O)C1 61908418 XMLWACMSFWUPPB-KRWDZBQOSA-N 314.341 2.587 0 40 DFAB CC[C@H](C)OCc1c(I)cnn1CC 408715827 FIHUVTPOMXZABR-QMMMGPOBSA-N 308.163 2.823 0 40 DFAB Cc1cccc(C(=O)NCc2cccc(Cn3ccnc3)c2)n1 24751986 RHKMAYSTOFKZKF-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB NC(=O)c1ccc(NC(=O)CSC(F)(F)F)cc1Cl 33172095 UDNUBPASFOOSJT-UHFFFAOYSA-N 312.700 2.630 0 40 DFAB C[C@@H]1CN(C)C[C@H](c2nc(C3(c4ccc(F)cc4)CC3)no2)O1 527546646 XKEPBUAPPNSOTR-BXUZGUMPSA-N 317.364 2.680 0 40 DFAB C[C@H](c1cnccn1)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 72203846 DDVGNJVIPXZJAC-KGLIPLIRSA-N 320.437 2.869 0 40 DFAB OC[C@@H](NCc1cccc2c1OC(F)(F)O2)c1ccsc1 414428246 GNGPWKXIWIRWHW-LLVKDONJSA-N 313.325 2.893 0 40 DFAB CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H]1CCC(=O)N1 122582460 WENRWXLTMRGKIT-DZGCQCFKSA-N 320.458 2.569 0 40 DFAB CC(=O)N1CCC[C@H]1c1nccnc1Nc1nc(C)cs1 72384633 ZJDPPTWHVVLCGS-NSHDSACASA-N 303.391 2.669 0 40 DFAB Cc1nc(=O)c2c([nH]1)C[C@H]1CC[C@@H](C2)N1Cc1csc(C)c1 72373018 XORPINNMBOVNPX-UONOGXRCSA-N 315.442 2.580 0 40 DFAB C[C@@H](NC(=O)Cn1cc(-n2cccc2)cn1)c1cccs1 81080959 YVXJHBVEWMWABZ-GFCCVEGCSA-N 300.387 2.613 0 40 DFAB Cc1ccc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cc1Cl 86064627 UEDFKICVOJPYGB-NSHDSACASA-N 307.777 2.816 0 40 DFAB C[C@@H]1CCCCN1c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 222532086 KZEWPTKVJVXDSG-OLZOCXBDSA-N 302.374 2.503 0 40 DFAB Cn1nccc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 49549558 CZVUTLFQFDHHAC-UHFFFAOYSA-N 316.777 2.907 0 40 DFAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc[nH]n1 96470803 JROFGTNHQKVMKS-UHFFFAOYSA-N 309.373 2.649 0 40 DFAB O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)C1=COCC1 96441873 ZTPGWLBECWGXOD-CQSZACIVSA-N 319.748 2.520 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CCN[C@@H]2C(F)(F)F)CC1 91303043 UXNQKSDMAUQSOE-JTQLQIEISA-N 308.344 2.928 0 40 DFAB COC(=O)c1ccc(NC(=O)NCc2ccsc2)cc1F 96475077 JPGHSDTXDUBODH-UHFFFAOYSA-N 308.334 2.996 0 40 DFAB Cc1nc(-c2cccc(F)c2)nc2c1CN([C@@H]1CCOC1)CC2 96253957 GCFXRXCTTHNQTE-OAHLLOKOSA-N 313.376 2.738 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 96182786 WKTMOGSJKVZGPQ-OKILXGFUSA-N 316.449 2.893 0 40 DFAB Cc1cc(CC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n[nH]1 96493034 AUAITBFDYPMLLY-AWEZNQCLSA-N 319.792 2.944 0 40 DFAB COc1c(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c(C)nn1C 96446366 SFSZWGSWSRTFCV-RYUDHWBXSA-N 301.390 2.659 0 40 DFAB CC(C)OCc1cccc(NC(=O)N[C@@H](CCO)C2CC2)c1 96421895 WEAKTBRKPBXCCG-INIZCTEOSA-N 306.406 2.894 0 40 DFAB Cc1c(C(=O)O[C@H](C)c2nccs2)cnn1-c1ccccn1 96485445 BFXGAAJFIXEWEA-LLVKDONJSA-N 314.370 2.950 0 40 DFAB Cc1cc([C@@H]2CN(Cc3cccc(F)c3F)CCO2)nc(C)n1 257286244 PKVZGPJNCISSHR-INIZCTEOSA-N 319.355 2.945 0 40 DFAB Cn1c(CN2CCC[C@H](c3ccncn3)C2)nc2ccccc21 257244206 IKJNFSXUAACQRB-AWEZNQCLSA-N 307.401 2.743 0 40 DFAB Cn1cccc1CNC(=O)NC(C)(C)COCc1ccccc1 252490361 KRAKPRGYFDQDOH-UHFFFAOYSA-N 315.417 2.820 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257235667 GYVMMKOPOOEFPK-CQSZACIVSA-N 306.369 2.896 0 40 DFAB CC[C@H](C)n1nc(NC(=O)CCc2ccc(O)cc2)cc1C 390833156 CXEFARZDECPPBO-LBPRGKRZSA-N 301.390 3.439 0 40 DFAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cc(C)on3)C2)c1 585268954 FOAOPPWLFWCSHP-GOSISDBHSA-N 316.401 2.697 0 40 DFAB O=C(O)/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1 44138816 ALGZPROJSRYPIG-MDZDMXLPSA-N 303.339 2.585 0 40 DFAB in-vitro Cc1nc(C)c(C(=O)NCCN(C)Cc2ccccc2)s1 53349224 HGLHGGPZEHTQRZ-UHFFFAOYSA-N 303.431 2.622 0 40 DFAB Cc1nnc([C@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)o1 75605214 DPSQPBOCISIUFE-GXSJLCMTSA-N 309.801 2.971 0 40 DFAB CC[C@@H](c1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 78463066 MGPNOPUJKSLLBA-HNNXBMFYSA-N 322.416 2.626 0 40 DFAB CN(Cc1nnc2ccccn12)c1cccc(C(F)(F)F)n1 79089459 ZARJXUKYRKACOK-UHFFFAOYSA-N 307.279 2.780 0 40 DFAB CO[C@@H](CNS(=O)(=O)C1CCCCC1)c1ccc(C)s1 96104785 OLXFGSZXSLOZAB-ZDUSSCGKSA-N 317.476 2.996 0 40 DFAB Cc1nc(C)c(C)c(N2CCN(c3ccc(F)cc3)CC2)n1 301453374 VKFDJHBTEWWENB-UHFFFAOYSA-N 300.381 2.868 0 40 DFAB O=C(CSc1nc(Cc2cccs2)n[nH]1)NC1CCCC1 11600269 KUZQWRIETILAIE-UHFFFAOYSA-N 322.459 2.608 0 40 DFAB Cc1noc(C)c1-c1nc(NC2CC2)ncc1-c1cnccn1 12155791 VYONNMBUADJAHN-UHFFFAOYSA-N 308.345 2.780 0 40 DFAB Cn1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)c2cccnc21 12253721 UOGDZSDYWVVJMD-AWEZNQCLSA-N 312.417 2.865 0 40 DFAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)c1ccccc1 13701960 BXULRENACIGFJU-UHFFFAOYSA-N 313.382 2.800 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)cc1 7334683 AANRRKQIDFDKBZ-HNNXBMFYSA-N 324.424 2.758 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 5477465 PYVRHCJNPNJXLY-SOFGYWHQSA-N 319.386 2.770 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)CCSc1ccccc1 75157475 OFBSTOSTBUOSPL-OAHLLOKOSA-N 313.488 2.789 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 30266728 LFYHWLOWEXDBLO-IYNGYCSASA-N 310.353 2.833 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 20219917 DBRVGIBMVLSPJE-INIZCTEOSA-N 314.429 2.826 0 40 DFAB Cc1cc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc(N)n1 40490477 WFEFZWNJHOSOAP-GFCCVEGCSA-N 308.389 2.628 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc(O)cc2)CC1 51154693 YBCQCDKLRZBYPI-GFCCVEGCSA-N 314.389 2.536 0 40 DFAB CC1=NN(Cc2ccccc2)C(=O)[C@H]1C(=O)Nc1ccccc1 101775416 DMPPNBPYKXXKHV-MRXNPFEDSA-N 307.353 2.660 0 40 DFAB CCc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 351871 DPQFDVLNBVHOCV-HNNXBMFYSA-N 318.442 2.993 0 40 DFAB COc1ccccc1Cn1cnc2c([nH]c3ccccc32)c1=O 502025 GZLFJSBNHOBJNK-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB Cc1ccc(NC(=O)CCn2nc(C(F)(F)F)cc2C)nc1 1012130 OGGSSCMMFOYUFX-UHFFFAOYSA-N 312.295 2.943 0 40 DFAB CC(C)CCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1343226 SIDYWMZCGABLMH-OAHLLOKOSA-N 321.396 2.984 0 40 DFAB O=C1[C@@H](Nc2cccc(CO)c2)CCN1c1ccccc1F 78671061 WOBGUEOHTVHUPN-HNNXBMFYSA-N 300.333 2.535 0 40 DFAB CNC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 4887989 AJVWNWKMKOEJSP-ALOPSCKCSA-N 317.502 2.974 0 40 DFAB C[C@@H](c1ccccc1F)n1cc(C(=O)NC2CCCC2)nn1 4985761 NXAQNICHDSINDA-NSHDSACASA-N 302.353 2.699 0 40 DFAB CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 6790481 HCFZTONLQHUVNF-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB O=C(NCc1ccc(Br)s1)C1CCOCC1 23134461 HJOWKYQBASVOGM-UHFFFAOYSA-N 304.209 2.553 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 23387908 SHIRGSXDGQCUHM-NWDGAFQWSA-N 317.355 2.817 0 40 DFAB Cc1ccc(NC(=O)COC(=O)C2CCOCC2)cc1Cl 24934451 OFRAZIZSTSRJDJ-UHFFFAOYSA-N 311.765 2.557 0 40 DFAB Cc1csc(N2CCN(CCc3ccncc3)C[C@H]2C)n1 106786564 RSLQAWKSYPTRRP-CQSZACIVSA-N 302.447 2.600 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N(C)C[C@@H]2CCCOC2)n1 107065067 JIOFISSKFPLZAG-NSHDSACASA-N 311.813 2.752 0 40 DFAB O[C@@H](COCc1cccs1)CN1CCc2ccccc2C1 3217568 DAJLBHHTBAWZTG-MRXNPFEDSA-N 303.427 2.684 0 40 DFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@@H](C)O1 58023176 SEFIKBFWTMLNLP-INMHGKMJSA-N 317.433 2.792 0 40 DFAB O=c1nc(Cl)[nH]c2c(Cl)c(C(Cl)(Cl)Cl)nn12 104153890 GYFKAYGGHOQHJH-UHFFFAOYSA-N 322.366 2.551 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1S(=O)(=O)N(C)C 12680581 OENKICKKAIOMKW-ZDUSSCGKSA-N 322.430 2.540 0 40 DFAB C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)(C)C 72310161 FZIOQXVBPWVXKX-JTQLQIEISA-N 321.812 2.544 0 40 DFAB Clc1ccc([C@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1 44977106 WJWQOOGNFNTKAB-CYBMUJFWSA-N 315.764 2.584 0 40 DFAB C=C1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1 12617732 APGNGHVYMHJSRP-UHFFFAOYSA-N 306.365 2.820 0 40 DFAB C[C@H]1CCc2sc3ncn4nc(/C=C/C(=O)O)nc4c3c2C1 2353214 DCSOMEFZJYXZOJ-ZJELKQJVSA-N 314.370 2.562 0 40 DFAB O=C1C[C@H](C(=O)N(Cc2ccco2)C2CC2)c2ccccc2N1 29012386 FRXLKYATHQCEFD-HNNXBMFYSA-N 310.353 2.897 0 40 DFAB O=C(N[C@@H](Cc1cccc(F)c1)C(=O)O)OCc1ccccc1 2569511 PTHVXSGNDJTPEX-HNNXBMFYSA-N 317.316 2.748 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(O)c1 3511151 VHFRXRDJMGRSHT-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 3614647 BHIIOZDPXKRJEA-BZNIZROVSA-N 301.317 2.843 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](N)[C@@H]2O 118918621 ZUUSQEHYADUJAR-JOSSNMMVSA-N 307.478 2.688 0 40 DFAB CNC(=O)[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 63607248 CZKNSSAMBNSCHN-HNNXBMFYSA-N 320.339 2.865 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 4074049 CARZWZVFSHUEKS-WNMQOVRZSA-N 318.442 2.950 0 40 DFAB biogenic Cc1noc([C@@H](C)NC(=O)c2csc(-c3ccccc3)n2)n1 63987578 OSYDWZALLURBTB-SECBINFHSA-N 314.370 2.993 0 40 DFAB C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccco1 95447158 WLSCMZAEJKWHME-QWRGUYRKSA-N 319.327 2.619 0 40 DFAB Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCCSC3)CCO2)o1 95438131 UBEIAMMYVADCLR-TZMCWYRMSA-N 310.419 2.567 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1C 95445694 IJBIGUTUKVAOSS-FZMZJTMJSA-N 306.431 2.627 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ncnc2ccsc12 65593429 REPSZVINSRQSDT-WDEREUQCSA-N 304.419 2.893 0 40 DFAB C[C@H](Cc1nnc(SCC(=O)N(C)C)o1)c1ccccc1 97603458 OSMYSVNJDHRTRY-LLVKDONJSA-N 305.403 2.596 0 40 DFAB O=C(CSc1nncs1)Nc1ccc(F)cc1NC1CC1 95427304 JMYIVRVMPZNMDG-UHFFFAOYSA-N 324.406 2.982 0 40 DFAB COc1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12 4851906 WSZCGJZTRRFXKN-UHFFFAOYSA-N 310.309 2.793 0 40 DFAB CCC(CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976142 PBBVQOUIQWWSFR-CQSZACIVSA-N 320.408 2.522 0 40 DFAB CNC(=O)[C@H](C)CN(C)Cc1c(OC)ccc2ccccc12 93898757 UEWKZVZLGHCKON-CYBMUJFWSA-N 300.402 2.662 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1N 9469724 LQIJVKIUVOTZLS-LBPRGKRZSA-N 304.390 2.571 0 40 DFAB CCc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1 15827181 NHJLWXGGMCLGDN-UHFFFAOYSA-N 302.355 2.990 0 40 DFAB C[C@@H](Cc1cccc(F)c1)C(=O)NCCN1CCCC[C@@H]1C 68862260 JDKSXFSNWGQQEO-GJZGRUSLSA-N 306.425 2.995 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCSc2ccccc21 8231582 CNSACDCNCMJUDW-GFCCVEGCSA-N 324.427 2.807 0 40 DFAB Cc1cc(Cn2cnc3ccc(Br)cc3c2=O)on1 69385610 KLAZYFRBLTXFMY-UHFFFAOYSA-N 320.146 2.504 0 40 DFAB C[C@@H](CCC(=O)O)NC(=O)CSCc1cccc(Cl)c1 70310581 DJLQNFIRJIWREB-JTQLQIEISA-N 315.822 2.943 0 40 DFAB CCOCCCC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 71888514 FQZHLNDRKFOYRR-SFHVURJKSA-N 323.408 2.914 0 40 DFAB FC(F)(F)c1cccc(-c2nnn(CC3CCOCC3)n2)c1 69738745 VBBRGRZZYWNCSY-UHFFFAOYSA-N 312.295 2.786 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnc(C)cn2)C12CCCC2 71920759 VNGANJGIPGCXNB-HUUCEWRRSA-N 303.406 2.595 0 40 DFAB COc1ccc(NC(=O)COCC2CC2)cc1Br 71900005 RKSPOHXTKAINBB-UHFFFAOYSA-N 314.179 2.823 0 40 DFAB C[C@@H]1CCNC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595809 MBYPFHDEGGLQLS-PRHODGIISA-N 304.287 2.572 0 40 DFAB Cc1cc(NC(=O)c2ccncc2)n(-c2nc3ccccc3o2)n1 84105347 JNAISZHUOAWDDX-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB CN(C)C(=O)c1ccc(CN2CCc3ccc(Cl)cc32)[nH]1 97057614 MOGJTRLZCIIPCH-UHFFFAOYSA-N 303.793 2.933 0 40 DFAB O=C(NCC[C@H]1CCCCO1)Nc1nnc(C(F)F)s1 97056543 FCEJWHWRWCOCOS-SSDOTTSWSA-N 306.338 2.556 0 40 DFAB Cc1ccc(F)c(N2CCC(NC(=O)c3cscn3)CC2)c1 97060086 VWKZZWLFTUPXJL-UHFFFAOYSA-N 319.405 2.989 0 40 DFAB CCCCO[C@@H]1C[C@@H](N[C@@H]2CCCn3nc(C)nc32)C1(C)C 97034734 MAHBWFURQZQBCM-RBSFLKMASA-N 306.454 2.995 0 40 DFAB CC[S@@](=O)CCNC(=O)CCc1cccc(Cl)c1Cl 72284327 RHDASQBDZDIWRC-IBGZPJMESA-N 322.257 2.811 0 40 DFAB C[C@H](NC(=O)CCS(C)(=O)=O)c1cccc(Cl)c1Cl 72287380 QKJVACCKQRNFEX-QMMMGPOBSA-N 324.229 2.605 0 40 DFAB COC[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(OC)c2)C1 98056374 DXPUIRRHYVJFMV-YVGNARHYSA-N 303.402 2.984 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CCc1ccccc1 95980298 KTVDETYZJWHTKH-INIZCTEOSA-N 313.401 2.559 0 40 DFAB CC1(CCNC(=O)N[C@@H]2CCCc3cc(F)ccc32)OCCO1 95940165 FWAJHZBYJFRVAA-OAHLLOKOSA-N 322.380 2.655 0 40 DFAB CCCC(O)(CCC)CNC(=O)c1ccc(F)c(NC(C)=O)c1 75144550 XVXVHFDTGDIGMT-UHFFFAOYSA-N 324.396 2.845 0 40 DFAB Cc1cc(CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)n[nH]1 89763413 QUHWRHOBGJPFQE-HNNXBMFYSA-N 319.792 2.594 0 40 DFAB O=C(NC[C@@H](O)C1CCCC1)[C@H]1SCCc2ccccc21 76083282 XOVGXZCVHSEZNH-CVEARBPZSA-N 305.443 2.684 0 40 DFAB CCO[C@H](CC)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 65588237 MKPPBEOYYBSABO-HUUCEWRRSA-N 308.422 2.656 0 40 DFAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1ccsc1 56906284 KUUDNCYIHVAULD-ZDUSSCGKSA-N 311.403 2.829 0 40 DFAB CN(C)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cn1 32816485 AZXXOPYQAOWGQU-UHFFFAOYSA-N 305.328 2.997 0 40 DFAB COc1ccccc1[C@H]1CC[C@@H](C)CN1c1nccn2nnnc12 521394189 PUTWOEDFPMOLPP-TZMCWYRMSA-N 324.388 2.506 0 40 DFAB Cc1ccnn1-c1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 78550183 DDQASBQTRLNZAJ-UHFFFAOYSA-N 324.388 2.578 0 40 DFAB CC(C)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 34118539 QNIGLMISXJYUPM-ZOBUZTSGSA-N 307.434 2.659 0 40 DFAB C1=CC2(CCN(Cc3cc4n(n3)CCNC4)CC2)c2ccccc21 72143371 JNJTVMDOJOUFOQ-UHFFFAOYSA-N 320.440 2.547 0 40 DFAB CC(=O)N1CC[C@@H]1c1cc(N2CCc3ccccc3C2)nc(C)n1 72387656 VKDMBTJVFYPGGB-GOSISDBHSA-N 322.412 2.641 0 40 DFAB CC(C)NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 32610841 COKREUNPQDVJLZ-UHFFFAOYSA-N 322.206 2.832 0 40 DFAB CCOc1ccc(CCC(=O)NC[C@H]2CCCO2)cc1OCC 30757579 QRKZIARQXKRZKG-OAHLLOKOSA-N 321.417 2.712 0 40 DFAB Cc1cnn(CCC(=O)NC[C@H](C)Oc2ccccc2Cl)c1 78227092 MMGFFJBAHKMVCY-ZDUSSCGKSA-N 321.808 2.819 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(C=O)cc2)C1 228909342 WTAKRQOJMBJSGO-CQSZACIVSA-N 304.390 2.993 0 40 DFAB Cn1ncnc1CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 190690882 CFNVRHKPLZLVHW-UHFFFAOYSA-N 312.339 2.945 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1 225430520 NNNHKKFCQJJFSB-LLVKDONJSA-N 304.375 2.532 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)N2CCCCCC2=O)cc1 227115643 IIKQFWJXMOHWJC-ZDUSSCGKSA-N 304.390 2.815 0 40 DFAB COc1ccccc1C1(CNC(=O)[C@H](O)c2ccccc2)CC1 81314186 WDWWIOOHKWWRJR-QGZVFWFLSA-N 311.381 2.577 0 40 DFAB Cc1ccoc1C(=O)Nc1nnn(Cc2ccccc2F)c1C 192377095 NOPIUTRHLPNGRQ-UHFFFAOYSA-N 314.320 2.928 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)c2cccc3ccccc23)n1 224186254 BLPQLGQFHGAXGF-UHFFFAOYSA-N 320.396 2.934 0 40 DFAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 80343976 QHEGPDDMUSOBOI-GFCCVEGCSA-N 308.403 2.935 0 40 DFAB c1ccc(O[C@@H]2COC3(CCN(C[C@H]4CCOC4)CC3)C2)cc1 96221866 RFIIPZBLGDBXJE-AEFFLSMTSA-N 317.429 2.725 0 40 DFAB C[C@]1(C(=O)Nc2nncs2)CC(c2ccccc2Cl)=NO1 96192839 XOKNKRZNSJBWJG-CYBMUJFWSA-N 322.777 2.713 0 40 DFAB CN(C(=O)CC1=CCCCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O 96422459 GRJOZPCZBLQMNS-LSDHHAIUSA-N 313.463 2.691 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2cc(C)ccc2C)c1C(N)=O 96182120 ZKMWRLODYRJVJV-UHFFFAOYSA-N 315.377 2.571 0 40 DFAB COc1cc(OC)cc(C(=O)NCC[C@@H](O)c2ccccc2)c1 81253115 KGZBMARFOPMGIK-QGZVFWFLSA-N 315.369 2.557 0 40 DFAB COCc1cccc(CN[C@@H](C(=O)OC)c2ccc(F)cc2)c1 96410404 VYSWQEXEDZPRAN-QGZVFWFLSA-N 317.360 2.976 0 40 DFAB CCS[C@H]1CC[C@]1(O)CNC(=O)/C=C/c1ccc(F)cc1 96450749 IXJJEHBKIGKFKA-WKIIYXSPSA-N 309.406 2.602 0 40 DFAB COc1cccc([C@@H](C)N2CCN(Cc3ccncc3)CC2)c1 96424631 OUXKVIOAQBZPQP-MRXNPFEDSA-N 311.429 2.969 0 40 DFAB COCc1csc(NC(=O)N[C@@H](C)c2c(C)noc2C)n1 96435562 AWWYLZOUWTWWNN-ZETCQYMHSA-N 310.379 2.777 0 40 DFAB CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 96420303 VCYMMXGVEASLOR-UKRRQHHQSA-N 318.417 2.857 0 40 DFAB CC[C@@](Br)([C@@H](O)c1cccc(C)c1)S(C)(=O)=O 96521568 SPNLZVAQRMJTGN-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB COCCN1CCCN(C(=O)CC/C=C/c2ccccc2)CC1 96414335 OZSJNPBHHHIRDU-BJMVGYQFSA-N 316.445 2.661 0 40 DFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)s1 25163771 AEKJKVPCISEMDU-UHFFFAOYSA-N 318.398 2.685 0 40 DFAB Cc1cc(CC2CCN(C(=O)c3cncs3)CC2)ccn1 257335439 YKDOAGQWFGTLQC-UHFFFAOYSA-N 301.415 2.941 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 257342916 ZQPDMCITHCWGHM-AWEZNQCLSA-N 314.389 2.730 0 40 DFAB COc1cccc(F)c1CN1CC[C@@]2(CCCO2)[C@@H](OC)C1 257320888 VZAZGSPORMDATD-IRXDYDNUSA-N 309.381 2.604 0 40 DFAB CCN(C(=O)C1CCC(O)CC1)[C@H]1CCCc2cccnc21 252510963 ZSTTUVXAFAZTPB-GPANFISMSA-N 302.418 2.859 0 40 DFAB CC[C@H](C(=O)NCCn1ccc2ccoc2c1=O)c1ccccc1 253399659 JTRSPHHZKYJKJX-INIZCTEOSA-N 324.380 2.905 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2ncc(C3CCNCC3)s2)c1 262082574 QRCVUTBUAYPGJY-UHFFFAOYSA-N 317.414 2.876 0 40 DFAB CO[C@@H]1CSC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2 575403464 LICHDRTWTCUFBY-AWEZNQCLSA-N 316.426 2.525 0 40 DFAB Cc1nc(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)no1 89718377 OGTTZNOLBGHRNN-VFZGTOFNSA-N 318.352 2.640 0 40 DFAB Cc1nnc(O)c(C(=O)Nc2cc(Cl)c(Cl)cn2)c1C 72530695 JRUKOHSSWURHQI-UHFFFAOYSA-N 313.144 2.753 0 40 DFAB CCc1cnc(CCNc2ccccc2S(C)(=O)=O)s1 78513461 WEBGVUNXIWAGEN-UHFFFAOYSA-N 310.444 2.764 0 40 DFAB Cc1noc(C)c1CSc1nnc(-c2ccccn2)n1C 95421082 KZQLUCDIWJXCBE-UHFFFAOYSA-N 301.375 2.774 0 40 DFAB O=C(Nc1ccccc1F)C1CCN(C(=O)N2CCCC2)CC1 40530096 GQWWFJMPOZGUNN-UHFFFAOYSA-N 319.380 2.692 0 40 DFAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 143977446 DDLYEPHICIJRBB-RKDXNWHRSA-N 311.300 2.595 0 40 DFAB O=C1/C(=C/c2ccc3c(c2)OCO3)NC(=S)N1c1ccccc1 4134811 SYSOPOIXPRHSOB-JYRVWZFOSA-N 324.361 2.678 0 40 DFAB COc1ccccc1CN1C[C@@H]2[C@@H](CC[C@@]2(O)c2ccccn2)C1 19570721 ZGDHTWCXZSZURT-VPWXQRGCSA-N 324.424 2.820 0 40 DFAB C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(OC(C)(C)C)cc1 157061327 SELGSYAGVUIXNS-DOTOQJQBSA-N 319.493 2.760 0 40 DFAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1nc(-c2ccccc2)no1 530179553 LPKWJJLSRBAVQW-VXGBXAGGSA-N 315.373 2.810 0 40 DFAB COc1cccc([C@H]2CCCN2CC(=O)NC2CCCC2)c1 9902937 CJPJDRBXBGWYJS-QGZVFWFLSA-N 302.418 2.891 0 40 DFAB Cc1ccc(C)c(CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1 1888850254 CGWYKBXOOGXBAI-SFHVURJKSA-N 316.445 2.517 0 40 DFAB CC(C)C[C@@H](CNC(=O)c1cccc(F)c1Cl)C(=O)O 147619986 DJBFCLNNNAMYKT-VIFPVBQESA-N 301.745 2.956 0 40 DFAB CC(C)c1nccn1CC1CN(c2cc3c(nn2)CCCC3)C1 2087122287 JZUXFVHFCIKLIE-UHFFFAOYSA-N 311.433 2.812 0 40 DFAB CC(C)(C)C(=O)NC1CCN(c2nccc3occc23)CC1 2087122347 RNAUTLJVEJSJJG-UHFFFAOYSA-N 301.390 2.959 0 40 DFAB Cc1ccc(C)c(C(=O)N2CCCN([C@@H]3CCSC3)CC2)c1 1565522523 SDOBBNINYLMWPT-MRXNPFEDSA-N 318.486 2.957 0 40 DFAB COc1cc(OC)cc(C(=O)NCCOc2ccccc2C)c1 2181414 BMZWHSXUOKUQLP-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB biogenic CCN(C(=O)c1cnc2scc(C)n2c1=O)c1ccccc1 4121122 UXQBGOSRPQZLGW-UHFFFAOYSA-N 313.382 2.731 0 40 DFAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1 4941178 AGPMDXDAXLWHNT-GFCCVEGCSA-N 311.328 2.770 0 40 DFAB CCCNc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)OCC 9827979 AQRMYSJADVPQKZ-UHFFFAOYSA-N 315.373 2.540 0 40 DFAB OC1C[C@@H]2CC[C@H](C1)N2c1ncnc2sc3c(c12)CCC3 110253253 JEEMOUQEKASXIA-ZACCUICWSA-N 301.415 2.672 0 40 DFAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccn1 40475396 NRLDJPDUFXATQA-UHFFFAOYSA-N 313.382 2.549 0 40 DFAB CCN(Cc1ccco1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40498946 NNBCPDAXPYEUTN-AWEZNQCLSA-N 316.332 2.893 0 40 DFAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H]3CCCO3)n2)C1 40487780 PPOHLNYMGHIJBO-SCRDCRAPSA-N 323.462 2.739 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)no1 31663850 MIXSQZXMQDEONF-SNVBAGLBSA-N 320.418 2.613 0 40 DFAB CCC(C)(C)NC(=O)COc1ccc(-c2noc(C)n2)cc1 40505096 FXYGXFLVUGWAQB-UHFFFAOYSA-N 303.362 2.729 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1OC 40512600 RGLQNEXHBRXLPO-LLVKDONJSA-N 304.346 2.881 0 40 DFAB Cc1sc(NC(=O)c2c(F)cccc2F)c(C(N)=O)c1C 268792 WTOWQMYXJAZFMQ-UHFFFAOYSA-N 310.325 2.994 0 40 DFAB CC(=O)Nc1ccc(SC[C@@H](O)COCc2ccco2)cc1 32751027 NKBRYZRBRXZOOT-AWEZNQCLSA-N 321.398 2.908 0 40 DFAB COc1cccc(-c2[nH]c(C=O)nc2Br)c1OC 1857794915 VFIFWSBGHQIYOL-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB CCc1cc2ccccc2nc1SCC(=O)N1CCOCC1 413295 ZHHLVJXAJIKLIS-UHFFFAOYSA-N 316.426 2.748 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1c(F)cccc1F)CC2 93614371 SNSYYERGNOVYRK-HZPDHXFCSA-N 311.372 2.717 0 40 DFAB C[C@H](Sc1n[nH]c(N)n1)C(=O)C12CC3CC(CC(C3)C1)C2 8488468 RINSEQSUPRVDJD-ITOAGHBLSA-N 306.435 2.653 0 40 DFAB Oc1nncc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1Cl 78673890 UBYUHMZQJJKILD-TZMCWYRMSA-N 319.792 2.928 0 40 DFAB O=C([C@H]1CCOc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 78743507 SZRPTCUJWUJNRB-ZFWWWQNUSA-N 311.385 2.682 0 40 DFAB C[C@H](CO[C@@H]1CCOC1)NC(=O)/C=C/c1cccc(Cl)c1 79057715 ZCXJTHZJHOXTTL-OBLPCYNLSA-N 309.793 2.663 0 40 DFAB CC(=O)NC[C@@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 79026485 KIDGBNMMIFKYPH-INIZCTEOSA-N 318.465 2.644 0 40 DFAB CC(C)(C)c1cc(NC(=O)c2cnccn2)n(-c2ccccn2)n1 69528244 RONGOXVMVAKSLT-UHFFFAOYSA-N 322.372 2.607 0 40 DFAB Cc1cc(C(=O)N2CCCN(C3CC3)CC2)c(C)n1C(C)C 61605433 MVZJKXGMEFSRCW-UHFFFAOYSA-N 303.450 2.996 0 40 DFAB CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)[nH]1 7834961 HVDBBIJNVYLCIK-JTQLQIEISA-N 322.409 2.864 0 40 DFAB CCN(C(=O)Cn1cnc2sccc2c1=O)c1ccccc1 8392235 BTGDKMRTOYIJOQ-UHFFFAOYSA-N 313.382 2.511 0 40 DFAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NC(N)=O)ccc21 8725749 MTMOZBXKCCWXPN-LLVKDONJSA-N 324.384 2.810 0 40 DFAB CS(=O)(=O)Nc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106623297 CGUJANPBHRUAHO-RWMBFGLXSA-N 322.430 2.823 0 40 DFAB CN(Cc1cccc(NC(=O)C2CC2)c1)C(=O)C(F)(F)F 25974123 FEGJKMVCZOFXBU-UHFFFAOYSA-N 300.280 2.556 0 40 DFAB CCCc1nnc(NC(=O)N[C@H](C)C[C@H](O)c2ccco2)s1 84759086 YVXFVIJTVQGWMR-ZJUUUORDSA-N 324.406 2.717 0 40 DFAB Cc1ccc(OC[C@@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)cc1 95404533 VBUZRFTZNDJKAV-ZIAGYGMSSA-N 316.405 2.556 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CC=C(c2ccccc2)CC1 12691920 OLHRNAPNWNZCJC-HDICACEKSA-N 322.408 2.684 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)CCc2cccs2)c1 36396835 HGPVLFJGRUQVDJ-UHFFFAOYSA-N 316.426 2.747 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)c1cn(-c2ccccc2Cl)nn1 58809207 SGZLGSHBBMRNPU-UHFFFAOYSA-N 316.752 2.513 0 40 DFAB CCN1CCN(C2CCN(CCc3cccs3)CC2)C1=O 69699184 OQTKLAZMJUTNDZ-UHFFFAOYSA-N 307.463 2.513 0 40 DFAB CCNC(=S)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 46416304 CJBUBQWEABTVQV-OAHLLOKOSA-N 314.458 2.793 0 40 DFAB CCNC(=O)NC(=O)CSc1cc(C)c2cccc(C)c2n1 3381891 PGAKFCDBYYNLFF-UHFFFAOYSA-N 317.414 2.789 0 40 DFAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(N)=O)s1 3470148 NVKNAVLPTLAKAJ-MRVPVSSYSA-N 324.431 2.646 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)ccc1F 69706388 CFBGHBFITADHNA-UHFFFAOYSA-N 311.382 2.886 0 40 DFAB O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccccc1 8984849 VBTBJSXMVUOXDB-UHFFFAOYSA-N 307.353 2.986 0 40 DFAB Cc1csc(=O)n1CCSc1ncnc2ccccc12 8988039 VUTAIOZJIMRIGL-UHFFFAOYSA-N 303.412 2.954 0 40 DFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)c(F)c1 8776423 DFEZHLOQUHIAAS-VIFPVBQESA-N 322.336 2.765 0 40 DFAB CCCc1noc(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)n1 65413996 QNEQWTSVRNAYBD-JTQLQIEISA-N 319.327 2.756 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(SC)cc1 4854777 MHTPYVZFSPUZQF-CYBMUJFWSA-N 306.387 2.552 0 40 DFAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)o1 4942337 ITXKVLXPUDVVDR-NSHDSACASA-N 310.400 2.760 0 40 DFAB Cc1ncsc1CNc1cccc(CN2CCN(C)CC2)c1 80196416 LGZYUSBNZZKXJN-UHFFFAOYSA-N 316.474 2.811 0 40 DFAB CNC(=O)c1cccnc1NCc1ccccc1CN1CCCC1 95403037 FQOXZNNEQOSVHT-UHFFFAOYSA-N 324.428 2.649 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cccc(F)c1 7514170 HTDBQCOIWXNANQ-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB C[C@H](SCCCN(C)C)C(=O)N1CCc2sccc2C1 96010337 XLFNVIPOQOWISG-LBPRGKRZSA-N 312.504 2.706 0 40 DFAB Cc1cc(=O)[nH]c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 9373132 POGFMFWGJWQDGD-UHFFFAOYSA-N 318.442 2.956 0 40 DFAB Cc1nc(CNC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)oc1C 95412416 UCHQHRYFJNYXDJ-XHDPSFHLSA-N 317.389 2.603 0 40 DFAB C[C@H](CCNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 71914975 GOTYRLRVISFKEZ-YPMHNXCESA-N 318.339 2.793 0 40 DFAB CC(C)(C)c1cc(NC(=O)N2CC[C@H](O)C2)n(C(C)(C)C)n1 71911841 JMZUYRRMGNJQCC-NSHDSACASA-N 308.426 2.534 0 40 DFAB Cc1c(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)oc2c(F)cccc12 84068086 LHIAUBXVPDEGQN-IINYFYTJSA-N 304.365 2.902 0 40 DFAB CC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 73528000 ONCGBCGAQGLTNX-KRWDZBQOSA-N 322.364 2.781 0 40 DFAB Cn1ncc(C(=O)OCc2ccsc2)c1Br 97164841 YPVPQDNLKDDJIQ-UHFFFAOYSA-N 301.165 2.601 0 40 DFAB Cc1ncc(CNC(=O)N2CCC[C@H]2c2ccncc2)s1 98118997 ZZBNZAISDJHGCA-AWEZNQCLSA-N 302.403 2.893 0 40 DFAB Cc1cccc([C@H](NC(=O)NCc2ncnn2C)C(C)(C)C)c1 89669076 DQLPVGNCXLVAQH-HNNXBMFYSA-N 315.421 2.710 0 40 DFAB CCn1ccc(CNC(=O)N[C@H]2CCc3ccc(F)cc32)n1 556849601 WOFXVLUJUJTEOC-HNNXBMFYSA-N 302.353 2.529 0 40 DFAB O=C(c1ccccc1)c1ccc(I)nc1 72225927 XBHFUBNJRVLVSP-UHFFFAOYSA-N 309.106 2.917 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 32585483 WBKXCLMYJBOZNF-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CC(C)c1nnc(NC(=O)c2csc(NC3CC3)n2)s1 36359943 OASQJIKNHMEWGV-UHFFFAOYSA-N 309.420 2.945 0 40 DFAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCOC)C1 72378122 QVRRAXAIFKCFHU-LBPRGKRZSA-N 318.442 2.697 0 40 DFAB C[C@@H](NC(=O)N(C)CC1(c2ccccc2)CC1)[C@@H]1CCCO1 187503879 ZCZNATKFZNXBRO-ZBFHGGJFSA-N 302.418 2.927 0 40 DFAB COc1ccccc1-c1cc(N(C)C(=O)C2=CCCCO2)n[nH]1 73908481 OTXIPZYUVZVQFM-UHFFFAOYSA-N 313.357 2.742 0 40 DFAB CC(C)OC(=O)c1cc(Br)ccc1-n1cnnc1 72210101 KPAWMJRBAFPTDR-UHFFFAOYSA-N 310.151 2.595 0 40 DFAB O=C(Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccccn2)C1 130205601 XBYOOUYNCDLIKG-INIZCTEOSA-N 313.376 2.548 0 40 DFAB O=C(/C=C/c1ccco1)N(CC(F)(F)F)[C@H]1CCCOC1 87390532 ZWMXSAQNRIUURZ-QRGHLMKCSA-N 303.280 2.863 0 40 DFAB COC(=O)[C@@H](C)CNC(=O)Nc1cc(C(F)(F)F)ccc1F 86291541 UGXLCHIWEDZDDK-ZETCQYMHSA-N 322.258 2.775 0 40 DFAB COc1ccc(-c2noc(C(=O)NC3CCC3)c2[C@H](C)O)cc1 225430964 ZKYJFZLXHLNXCQ-JTQLQIEISA-N 316.357 2.686 0 40 DFAB biogenic,in-vitro COc1ccc(NC(=O)N[C@H](CO)C(C)(C)C)cc1Cl 195557304 HECCVPIVQTWJCT-GFCCVEGCSA-N 300.786 2.877 0 40 DFAB Cc1cnc(NC(=O)COc2ccn(-c3ccccc3)n2)s1 226853529 VCHJDBHPIOVJBT-UHFFFAOYSA-N 314.370 2.655 0 40 DFAB CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225570652 QGDBWVXCTSXLHG-VBKFSLOCSA-N 312.369 2.885 0 40 DFAB O=C(Nc1ccnc(O[C@H]2CCOC2)c1)c1cc(F)ccc1F 95449882 WMFVFVWXGXJNIX-LBPRGKRZSA-N 320.295 2.780 0 40 DFAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccsc1)C2 96229851 FMRCPMNYHLQKNQ-MRXNPFEDSA-N 306.431 2.755 0 40 DFAB CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C)cc(C)cc1C 96473767 WEMZWHWQGUOAEJ-SFHVURJKSA-N 320.433 2.872 0 40 DFAB COc1ccc([C@@H](C)CCNC(=O)c2ccc(C)[nH]c2=O)cc1 96423364 JBLXORHWKMODOF-LBPRGKRZSA-N 314.385 2.616 0 40 DFAB COc1ccc(OC(F)F)c(CN2CCC[C@@](C)(CO)C2)c1 93340847 ACDOCDZLVKGBHZ-MRXNPFEDSA-N 315.360 2.891 0 40 DFAB CC1(CNC(=O)NC[C@H]2CCC[C@H](O)C2)Cc2ccccc2C1 91933992 HOXROHPACXZZOK-YOEHRIQHSA-N 316.445 2.642 0 40 DFAB Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](CCO)C(C)C 96434729 GBJOSKUTTCUMHK-HNNXBMFYSA-N 316.405 2.709 0 40 DFAB O=C1CN(Cc2ccccc2)[C@@H](c2ccc(-c3cccnc3)o2)N1 96429904 TYHRJWGXHZHXLQ-IBGZPJMESA-N 319.364 2.972 0 40 DFAB CCOc1cc(Cl)ccc1CNC(=O)Cc1cc(C)[nH]n1 95434614 HSHXXJTTZGCWGH-UHFFFAOYSA-N 307.781 2.629 0 40 DFAB COC(=O)NC(C)(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 96416713 CZEBPBGLJWEIHB-UHFFFAOYSA-N 324.808 2.622 0 40 DFAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cn[nH]c1 96413067 PQMWPVYAUJFDQQ-NOZJJQNGSA-N 308.769 2.961 0 40 DFAB Cn1c(C2CC2)nnc1[S@@](=O)CCc1ccccc1Cl 96446924 JQJDMPUWZDHUED-HXUWFJFHSA-N 309.822 2.696 0 40 DFAB Cc1noc(C)c1CN1CC2(C[C@H](OCC3CC3)CS2)C1 251987332 HWWYSTIUESTNJE-AWEZNQCLSA-N 308.447 2.778 0 40 DFAB CO[C@@H]1CCC[C@@H](NC(=O)c2oc3ccc(F)cc3c2C)[C@H]1O 257297561 RHVDKQTZBSHYHL-BPLDGKMQSA-N 321.348 2.539 0 40 DFAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)n1 257317982 VLZPLTZUMQHPLG-ZDUSSCGKSA-N 301.415 2.941 0 40 DFAB COc1ccc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(F)c1 257313785 UUDNNOTULAJSFL-IRXDYDNUSA-N 309.381 2.604 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)n1 257215413 CPZPKWMORWYJQJ-CQSZACIVSA-N 305.328 2.984 0 40 DFAB Cc1scc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c1C 263192976 TVBYOYUKOQZVKX-CQSZACIVSA-N 303.383 2.791 0 40 DFAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1Cc2ccccc21 261827481 XEAKQRAISKAQEL-IAGOWNOFSA-N 307.349 2.537 0 40 DFAB O=C(Nc1ccc2nccn2c1)c1cccc(N2CCCC2=O)c1 72283759 NFQJMMKKSPOMKX-UHFFFAOYSA-N 320.352 2.713 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2sccc2C)C1 35153097 JCFFTKAUAKISFU-YBJDMEARSA-N 307.415 2.871 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H](O)C1 43602831 DHJHANVHCFMUJB-LLVKDONJSA-N 310.423 2.574 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)[nH]1 75119329 FQAWIFKAFJMSFY-ZJUUUORDSA-N 302.296 2.534 0 40 DFAB COC[C@H](NC(=O)NCc1ccc(C)c(F)c1)c1ccco1 84183256 NJBCKXGSUWJWNA-AWEZNQCLSA-N 306.337 2.914 0 40 DFAB Cc1n[nH]c2cc(NC(=O)c3ccnc(-n4ccnc4)c3)ccc12 91835185 YNVPEKAZGAIWLT-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Cc1oncc1C(=O)NCC1CCN(Cc2ccsc2)CC1 96098348 QSDZXGDYOKFDJH-UHFFFAOYSA-N 319.430 2.687 0 40 DFAB COCc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 97162255 UALQQUAWHSGERC-UHFFFAOYSA-N 303.324 2.722 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)s2)[C@H](C)CO1 40217849 DERDPQGGQJHRBB-SFYZADRCSA-N 304.209 2.760 0 40 DFAB CCc1nc(CNC(=O)Nc2nc(C)ccc2OC)cs1 97378650 BAYVTJRTAKTFHV-UHFFFAOYSA-N 306.391 2.739 0 40 DFAB COc1cc(NS(=O)(=O)c2ccccc2OC)cc(OC)c1 5602599 URBZPEYRRNFPSR-UHFFFAOYSA-N 323.370 2.513 0 40 DFAB Cn1ncc2c1CCc1sc(NC(=O)C3CCCC3)nc1-2 12327192 SBHUWVFSXHSYDR-UHFFFAOYSA-N 302.403 2.771 0 40 DFAB O=C(O)[C@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc2O1 13434704 JLQGPWVNSRUECB-CQSZACIVSA-N 317.728 2.832 0 40 DFAB O=Cc1c(NCc2ccc3c(c2)OCO3)c2ccccc2[nH]c1=O 13997033 UVRURESYCHBHLW-UHFFFAOYSA-N 322.320 2.681 0 40 DFAB Cn1nccc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 19658620 MQSWVHJYVFVROP-AWEZNQCLSA-N 309.417 2.751 0 40 DFAB O=C(Cc1ccc(F)cc1)NC[C@H]1CCCN1c1nccs1 206777359 CXLQGVQNSMDIRD-CQSZACIVSA-N 319.405 2.610 0 40 DFAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NC1CCCC1 3394118 DLZGWGHLUTWPSW-CMDGGOBGSA-N 307.777 2.955 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(F)c1 7428193 ZZEJLVYGDOJAAS-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](c2ccncc2)C1 552224368 VNMVHVOGAHBTOB-CQSZACIVSA-N 311.385 2.968 0 40 DFAB Cn1cccc1[C@@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 21151578 UTXQKWUMINTYOQ-LJQANCHMSA-N 323.440 2.651 0 40 DFAB CCCn1/c(=N/C(=O)C2=COCCO2)sc2cccc(F)c21 101061508 JIXCXMORPKNMRY-ICFOKQHNSA-N 322.361 2.567 0 40 DFAB CC(C)NC(=O)CN1CCN(c2cccc3sccc23)CC1 2298095507 JAVPEOXHALOLAQ-UHFFFAOYSA-N 317.458 2.548 0 40 DFAB COc1cccc(N2CCC[C@@H](NC(=O)C3CC=CC3)C2)c1 77996871 CNIJLCDTHOTWQQ-OAHLLOKOSA-N 300.402 2.746 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)cc1 20367534 XXGKKSUPOONMBO-LSDHHAIUSA-N 300.402 2.749 0 40 DFAB O=C(O)/C=C\C(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 101067183 KITOTVNYLXMYEF-GZTOBOFZSA-N 316.338 2.660 0 40 DFAB CN(Cc1ccc(Br)o1)[C@H](C(N)=O)c1ccccc1 30217327 MLVJCYDKFMRQBB-ZDUSSCGKSA-N 323.190 2.701 0 40 DFAB O=C(Nc1cccc(OCCn2cncn2)c1)C1CCCCC1 40139040 QCBADSBWMDHEQU-UHFFFAOYSA-N 314.389 2.876 0 40 DFAB CCCCCc1cc(/C=c2\[nH]/c(=C3/C=CC=N3)cc2OC)[nH]c1C 100292095 WKGQSEFBQTWRPT-UUPRNIFOSA-N 323.440 2.970 0 40 DFAB in-vitro Cc1ccc(C[C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)cc1 50768224 RXUHOUQUXFMQKL-QGZVFWFLSA-N 324.424 2.789 0 40 DFAB COc1cc(OC)c(C[C@H]2C(=O)Nc3ccccc32)c(OC)c1 100793176 RKVFTOAMHPYQKW-CYBMUJFWSA-N 313.353 2.991 0 40 DFAB biogenic CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 40513865 XRVYKZXNGLCVNV-QMMMGPOBSA-N 307.350 2.732 0 40 DFAB COCCCNC(=O)CSc1ccc(Br)cc1 31866857 MCRNEGATMNVIMY-UHFFFAOYSA-N 318.236 2.694 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 20720228 GXTTVYXBQAAFKD-LBPRGKRZSA-N 313.332 2.521 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccccc2)CC1 32470629 NILZVGSBWHAWNM-UHFFFAOYSA-N 320.414 2.860 0 40 DFAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 386001 XQIQWNRMABKJEU-INIZCTEOSA-N 318.373 2.936 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N(C)c1ncnc2c1cnn2C 52447115 MOJVSECJWHHYSE-VIFPVBQESA-N 303.316 2.839 0 40 DFAB CC[C@@H](OC(=O)c1cc(C)ccc1O)C(=O)Nc1cc(C)on1 32837608 SUMUMQMCUOCBCQ-CYBMUJFWSA-N 318.329 2.571 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1cc(C)oc1C)c1cccs1 32900547 SNYTZFBZRLHWSG-GFCCVEGCSA-N 307.371 2.992 0 40 DFAB O=C(NCCc1ccccc1F)c1ccn(-c2ccccc2)n1 32914182 XJHFIHRAALWSMG-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)N1CCc2ccccc21 33056534 RMUUVDWRHZOVCX-AUUYWEPGSA-N 322.408 2.558 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 12049503 GQZJCUOABUVDPA-SWLSCSKDSA-N 314.410 2.510 0 40 DFAB CCC1=NN(C(=O)c2ccc(C)cc2)[C@](O)(C(F)(F)F)C1 356178 MFRYRYHLQCZZMS-CYBMUJFWSA-N 300.280 2.858 0 40 DFAB O=C(CC1CCCC1)NC[C@H](c1cccs1)N1CCOCC1 22767048 NFDDUACXQTZZQG-OAHLLOKOSA-N 322.474 2.818 0 40 DFAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(F)c1 22863025 MNBCTZCKAVRMBR-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB Cc1cccc(NC(=S)NCc2ccc3c(c2)OCO3)n1 7143463 SDCLNNORJAENEV-UHFFFAOYSA-N 301.371 2.605 0 40 DFAB O=C(NCCC1=CCCCC1)NCCN1CCCCCC1=O 47654204 WDEQNLOCMLAGIH-UHFFFAOYSA-N 307.438 2.579 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccco1)c1ccccc1 33767871 XOXCGJXTWAPKTB-CZUORRHYSA-N 312.369 2.648 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 12540056 YOVKEKKPRRBXOF-LLVKDONJSA-N 323.352 2.825 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C[C@@H](C)O1 54847555 XLAILGDXAJFEAZ-TXEJJXNPSA-N 319.792 2.775 0 40 DFAB CC(C)n1nnnc1SCc1cc(F)cc2c1OCOC2 24508481 NVYDKCAQVLQOLJ-UHFFFAOYSA-N 310.354 2.552 0 40 DFAB CC(C)(C)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 106633589 OJDICWMASRFCEH-DLBZAZTESA-N 316.445 2.577 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H]1CCCOC1 55925027 HDRLUXLEYKAFIV-NSHDSACASA-N 306.387 2.868 0 40 DFAB CCOCCO[C@@H](C)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 57489316 LLBALLFEGKDIEK-STQMWFEESA-N 313.825 2.829 0 40 DFAB COc1ccc([C@H](O)CNC[C@H]2C[C@H]3C=C[C@H]2C3)cc1OC 104242964 ZUEUKXSAOCIISH-WMHQRMGPSA-N 303.402 2.539 0 40 DFAB CS[C@H](C)C(=O)N1CCCN(Cc2ccccc2F)CC1 58266180 QQVDFUCCMJWNMZ-CYBMUJFWSA-N 310.438 2.612 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCC[C@@H](C(=O)Nc2cccnc2)C1 58202015 ZRIUDRAONSNEMG-OKILXGFUSA-N 324.384 2.860 0 40 DFAB O=C(NCc1cccs1)c1cn(-c2ccccc2Cl)nn1 57511533 ZGCGLROMULDJRY-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 100750317 ATWYMNNIKLLJGQ-RVKKMQEKSA-N 317.433 2.591 0 40 DFAB Nc1nccnc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 12741410 RTKGCRYHAKLVAD-JTQLQIEISA-N 320.805 2.679 0 40 DFAB Cc1ccc(NC(=O)NCCC(=O)Nc2ccc(C)cn2)cc1 58332984 WXNPYYHQOATGQO-UHFFFAOYSA-N 312.373 2.849 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@H](C)OC[C@@H]1CCCCO1 58313434 SZSGHCIIKQYKKB-RDJZCZTQSA-N 305.418 2.928 0 40 DFAB COc1c(CNCCCn2ccc3ccccc32)c(C)nn1C 58311938 WKZFACNFBSEHQV-UHFFFAOYSA-N 312.417 2.872 0 40 DFAB Cc1ccn(-c2ccc(N[C@H]3CCOC4(CCCC4)C3)nn2)n1 84248013 SEIKDLAGFYSORL-AWEZNQCLSA-N 313.405 2.874 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)NC1CCCCCCC1 3317199 NOBNDEGGLZMFLF-UHFFFAOYSA-N 305.374 2.778 0 40 DFAB COc1ccc(CNC(=O)CCOc2cccc(C)c2C)cn1 45337176 CXVAGGBYGCBESF-UHFFFAOYSA-N 314.385 2.792 0 40 DFAB COc1cccc(-c2nsc(NC(=O)NCC(F)F)n2)c1 97113933 QJQVTBIKBDJUQV-UHFFFAOYSA-N 314.317 2.600 0 40 DFAB CCn1c(SCc2nonc2C)nc2sc(C)cc2c1=O 36615232 AIDMRXCOUGQDAB-UHFFFAOYSA-N 322.415 2.770 0 40 DFAB O=C1C[C@@H](C(=O)N(Cc2ccco2)C2CC2)c2ccccc2N1 29012382 FRXLKYATHQCEFD-OAHLLOKOSA-N 310.353 2.897 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN1C(=O)CCc1ccccc1Cl 45750884 CMLLNVGKMFXOJL-OAHLLOKOSA-N 320.820 2.542 0 40 DFAB COCc1cc(NC(=O)N[C@H]2CCCc3sccc32)ncn1 97161749 XIXGXADNNDWJME-LBPRGKRZSA-N 318.402 2.884 0 40 DFAB O=C(NCc1cc2ccccc2[nH]1)c1ccccc1-n1ccnn1 97107267 MPPBCSOVUJDDJC-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB O=C1NCCN(C(=O)C[C@H]2C=CCC2)[C@H]1c1ccccc1Cl 97106880 ZYCNHAUGVRQSLU-LRDDRELGSA-N 318.804 2.696 0 40 DFAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccc(O)c2)cc1 12914026 UUUXBXYOGFUPSU-ZDUSSCGKSA-N 313.353 2.562 0 40 DFAB CCCc1nnc(SCC(=O)NC2CCCCC2)n1CC 20033961 YTKRXFXZIRNVQZ-UHFFFAOYSA-N 310.467 2.792 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccn2)c1C 9154542 IBXYRJSRXMRHMN-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB COc1cc(C)c(NC(=O)c2cn3ccccc3n2)cc1OC 6153989 ZLLMOXIDLMTOKM-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@H](O)c1ccc(F)c(F)c1 65595306 KUTBRJJQYKOEIC-AWEZNQCLSA-N 318.279 2.515 0 40 DFAB O=c1c2ccc(F)cc2ncn1Cc1nc(-c2ccccc2)no1 14159863 JFXMCUWUANLPKZ-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB Cc1nc(-c2ccc(CNC(=O)C3=COCCO3)s2)cs1 14189621 KLAWXOQOEZSAON-UHFFFAOYSA-N 322.411 2.684 0 40 DFAB c1ccc(-c2noc(N3CCN(c4nccs4)CC3)n2)cc1 65609664 VKBABOUEQNVJTI-UHFFFAOYSA-N 313.386 2.520 0 40 DFAB Cc1nc(NC[C@@H]2COc3ccccc3O2)c2cccnc2n1 95362492 ZIMCMMCTUOVKLV-GFCCVEGCSA-N 308.341 2.585 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C 84670910 RHWYIVJBFBUZQB-JKSUJKDBSA-N 314.429 2.982 0 40 DFAB Nc1cc(C(=O)OCC(=O)N2CCCCCCC2)ccc1Cl 7951842 PPCIAOKLDYKVQM-UHFFFAOYSA-N 324.808 2.872 0 40 DFAB CCc1ccc(NC(=O)N2CCC(C3OCCO3)CC2)cc1 71862791 XMPQDSKEOPTGIA-UHFFFAOYSA-N 304.390 2.866 0 40 DFAB O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCc1ccsc1 71883216 KFGZJWFMIFDPKQ-UHFFFAOYSA-N 315.398 2.557 0 40 DFAB NC(=O)[C@@H](CNC(=O)CCC1CCCC1)Cc1ccc(F)cc1 71826746 QAYPAMOOKLDWSO-OAHLLOKOSA-N 320.408 2.556 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2ccccc2F)CC1 8253121 VBCBZYYJVPEQFI-UHFFFAOYSA-N 322.424 2.581 0 40 DFAB O=C(CNC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl 8314890 MRALUEQSKUVEEE-UHFFFAOYSA-N 324.167 2.757 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc(C)cn2)cc1 8328644 XLAUGVSIVKYOAL-RMKNXTFCSA-N 311.341 2.614 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2cccs2)CC1 71835135 BPHDIMWJTDMXDT-HUUCEWRRSA-N 316.426 2.789 0 40 DFAB Cc1cc(C)cc(C2(C(=O)N3CCn4c(C)nnc4C3)CCC2)c1 69492383 GCPADWHDMHUNHK-UHFFFAOYSA-N 324.428 2.667 0 40 DFAB Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccncc1 69488428 OUXHCWPZRVEASQ-UHFFFAOYSA-N 308.385 2.913 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@H]1CC[C@@H](N)C1 91547342 HILXBFQHCDGUIB-CMPLNLGQSA-N 311.223 2.535 0 40 DFAB Cc1ccsc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 71908192 BFSHPYJRKPHEMZ-CQSZACIVSA-N 315.442 2.971 0 40 DFAB O=C(Nc1cc[nH]n1)c1csc(Cc2ccccc2F)n1 71910538 WCLJMCIZMHVDIN-UHFFFAOYSA-N 302.334 2.848 0 40 DFAB Cc1occc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 91840807 DZUKLWVBJHGLQO-LBPRGKRZSA-N 321.402 2.828 0 40 DFAB Cn1nccc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 92064430 QNDVZAILGVANTL-HNNXBMFYSA-N 301.365 2.797 0 40 DFAB C[C@H](Oc1ccccc1)[C@@H](C)NC(=O)c1ccc(NC=O)cc1 95405625 JWQRYBIYXMCWEM-KGLIPLIRSA-N 312.369 2.841 0 40 DFAB CCOC(=O)c1cc2cc(NCc3nncn3C)ccc2s1 97048050 XVOULPPDUFQDNR-UHFFFAOYSA-N 316.386 2.819 0 40 DFAB CC[C@@](C)(CCO)NCC(=O)N(C)[C@H]1CCCc2ccccc21 95996012 ROILSLDKQFQZCY-HKUYNNGSSA-N 318.461 2.663 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)C3(c4ccccc4)CC3)c12 89282695 YXULGYHKDXMIAZ-UHFFFAOYSA-N 309.373 2.529 0 40 DFAB O=C(Nc1cccc2cccnc12)N1CCSC[C@H]1CCO 75110498 WYRNNKFTMVMNAX-CYBMUJFWSA-N 317.414 2.567 0 40 DFAB O=C(O)[C@H](c1ccccc1)N1C(=O)CC2(CCCCCC2)C1=O 64876043 CKHMEWMDGMBMFU-HNNXBMFYSA-N 315.369 2.912 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 20737846 VHHUOPIKBXYGTD-SJLPKXTDSA-N 324.380 2.853 0 40 DFAB Cc1ccc(NCCNC(=O)c2cccc(C(F)(F)F)c2)nn1 35597915 QYRFODMWFGFHRO-UHFFFAOYSA-N 324.306 2.646 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1C 77959127 VLPRCUUJHDLRFN-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 77690503 ASBGRNKHFAQQDE-NXEZZACHSA-N 315.364 2.559 0 40 DFAB COc1ccc(/C=C/C(=O)N(C)Cc2nccs2)cc1O 187593712 IGDIXJKAMHDTDG-GQCTYLIASA-N 304.371 2.529 0 40 DFAB CCc1nc2c(s1)[C@@H](NCc1nnc3n1CCCC3)CCC2 183843658 ODACZBYXYPFTPJ-NSHDSACASA-N 317.462 2.801 0 40 DFAB CC(=O)c1c(F)cccc1N[C@@H]1CC(=O)N(CC(F)(F)F)C1 77995892 SYHPKQQOFLXTCC-SECBINFHSA-N 318.270 2.603 0 40 DFAB O=C(N[C@@H]1CCC[C@H]1n1ccnc1)N1C[C@H]2CCCC[C@H]2C1 79033368 BBMMYQGLGOLFAS-QKPAOTATSA-N 302.422 2.808 0 40 DFAB Cn1ncc(C(=O)N[C@H]2CCc3ccccc32)c1-n1cccc1 43074486 PWGWTKWXCRLLEK-INIZCTEOSA-N 306.369 2.628 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1cccs1 223754465 MCSAESFZMHZIPI-UHFFFAOYSA-N 315.391 2.717 0 40 DFAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)nc1 225437868 ZXQYLSMJEGTKJH-UHFFFAOYSA-N 306.479 2.798 0 40 DFAB Oc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 195575889 IORNYTCDRNWVQQ-SFHVURJKSA-N 305.418 2.942 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCCCO2)CC1 130257723 HATSDNFQIODLSE-UKRRQHHQSA-N 308.447 2.522 0 40 DFAB CCc1occc1C(=O)N1CC[C@@](C(=O)O)(c2ccccc2)C1 570724565 DYBKRXIPRGLSAI-SFHVURJKSA-N 313.353 2.711 0 40 DFAB Cc1ccncc1NC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1 226852579 IXEQEUWRSPGKPR-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB CC(C)C[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 40313171 ROABMWZHSDROKN-AWEZNQCLSA-N 302.374 2.647 0 40 DFAB biogenic CCO[C@](C)(CC)C(=O)Nc1ccc(OCCOC)nc1C 225893093 LOPTUXOTGNGIOF-MRXNPFEDSA-N 310.394 2.559 0 40 DFAB CCc1ccc(OCCNS(=O)(=O)c2ccc(C)cc2)cc1 223973959 DSYDONUGFCRKDI-UHFFFAOYSA-N 319.426 2.915 0 40 DFAB COc1cc(OC)cc(C(=O)N(C)c2cccc(OC)c2)c1 222932685 YDWZSMKHJOKAQE-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB Cc1ccc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)c(C)c1 97212739 ATBUGABBTSHPIA-HNNXBMFYSA-N 312.417 2.845 0 40 DFAB CN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 96229734 VSRBLCRLZHWRPB-KRWDZBQOSA-N 301.390 2.695 0 40 DFAB Cn1c(SC[C@@H](O)C(F)(F)F)nnc1-c1ccc(F)cc1 97378025 ANGBLXPKTNXGOE-SECBINFHSA-N 321.299 2.637 0 40 DFAB CC(C)n1ccnc1[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 95373080 NRBXSMRKAGEFFZ-LBPRGKRZSA-N 311.393 2.514 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C1 257308860 TYMCGSFWUAOWJU-MRXNPFEDSA-N 324.428 2.948 0 40 DFAB COCc1csc(-c2ccc(CC3CCNCC3)nc2)n1 257287430 PPYCZAYRTHPMTN-UHFFFAOYSA-N 303.431 2.894 0 40 DFAB Cc1nccc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)n1 257242448 ICNRNUFRRSUEPF-IBGZPJMESA-N 324.428 2.708 0 40 DFAB Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)c(O)n1 257294505 QULSTFABWQPQGQ-UHFFFAOYSA-N 311.385 2.586 0 40 DFAB O=C(CC1CC1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257233860 GRBUUSVCVBZSOI-MRXNPFEDSA-N 312.413 2.986 0 40 DFAB COc1ccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)nn1 282622502 AGIYXTIYTCYWGU-SMDDNHRTSA-N 305.403 2.509 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1SC 65624893 JRWFRMMRMPCBAY-GHMZBOCLSA-N 309.435 2.833 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)n1C)CC2 31239181 LUQMHEGUUXIPTJ-UHFFFAOYSA-N 314.385 2.549 0 40 DFAB Cc1ncc(CN(C)S(=O)(=O)c2cccc(Cl)c2)s1 56106898 ZIUSHADKOGCMAL-UHFFFAOYSA-N 316.835 2.926 0 40 DFAB CC(C)Cc1noc(CN2C[C@@H](C)C(=O)Nc3ccccc32)n1 72488278 VLGQCPLNBNWAMQ-GFCCVEGCSA-N 314.389 2.863 0 40 DFAB COC(=O)c1cc(-c2ccc(OC)c(Br)c2)on1 83162989 AOBZRUVLOOQWQD-UHFFFAOYSA-N 312.119 2.899 0 40 DFAB CC[C@@H](NC(=O)Nc1ccc(OC)c(C)c1)c1noc(C)n1 84734876 XANBLGLUHXPTTN-GFCCVEGCSA-N 304.350 2.968 0 40 DFAB Cc1cc(NC(=O)N[C@H]2CCSC2)n(Cc2ccccc2)n1 96433935 BGXSXDPIBVJCQF-AWEZNQCLSA-N 316.430 2.867 0 40 DFAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)O)CCOCC2)C1 19236968 ZWVKSBQLLMBYCH-CYBMUJFWSA-N 303.358 2.760 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)c(C)o1 206830075 KRSLJZOHYDHJPS-ZDUSSCGKSA-N 319.430 2.999 0 40 DFAB COc1cccc(CNC[C@H](C)O)c1OCc1ccccc1F 8498059 CCMZYPFTPUFFDB-ZDUSSCGKSA-N 319.376 2.884 0 40 DFAB O=C(Cn1cccc1)N1CC[C@H](Oc2cccc3cccnc23)C1 245015253 LTEYVRSFCYYCIZ-INIZCTEOSA-N 321.380 2.716 0 40 DFAB CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1 4491688 KDJKVMXMEKBTJF-HNNXBMFYSA-N 318.373 2.666 0 40 DFAB COc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1 12371010 ODFIMVFGSHLEGR-UHFFFAOYSA-N 316.357 2.507 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC(Oc2ccsc2)CC1 575618213 FLSRQROQDLFYOO-UHFFFAOYSA-N 323.439 2.980 0 40 DFAB COc1ccc(CN[C@H]2CCCc3c2cnn3C)c(OC)c1 30908559 SGHDCOZBPFDUBV-HNNXBMFYSA-N 301.390 2.605 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)no2)c(OC)c1 40473845 DAPJJIQIDSXXLG-CQSZACIVSA-N 316.357 2.978 0 40 DFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccncc1 248322 VYLDPSVXLWTIAJ-HNNXBMFYSA-N 303.406 2.741 0 40 DFAB in-vivo NC(=O)[C@H](OC(=O)CCc1nc2ccccc2o1)c1ccccc1 21480006 LOWSHPJHTFQVEV-QGZVFWFLSA-N 324.336 2.530 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)cc1 32912585 VXCCXVUBPLLHDI-HNNXBMFYSA-N 322.311 2.829 0 40 DFAB CCN(CC(=O)NC)C(=O)c1cc2c(s1)CCCCCC2 52878105 FFEPRBCXQFDQJC-UHFFFAOYSA-N 308.447 2.615 0 40 DFAB COC(=O)c1cc2c([nH]c1=O)C[C@H](/C=C/c1ccccc1)CC2=O 12321214 IZWSJSDWNOQUBB-GWJCSSMESA-N 323.348 2.620 0 40 DFAB CNC(=O)c1ccc(CN(C)c2cnc3ccccc3n2)cc1 41872962 BSRGJHYRBZWYFU-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB NS(=O)(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 78884309 FTNJVERMIFBSGJ-HNNXBMFYSA-N 322.455 2.509 0 40 DFAB C[C@H](c1ccc(O)cc1)c1cc2c(cc1OCCO)OCO2 1582756 SKEQFZCJVKUTSB-LLVKDONJSA-N 302.326 2.644 0 40 DFAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccncc1 22621831 SZBAVOWMYJFOTR-GFCCVEGCSA-N 309.369 2.921 0 40 DFAB S=C(NCc1ccccc1)N1CCN(c2ccccc2)CC1 3437128 GFBOTTQGSQLMPM-UHFFFAOYSA-N 311.454 2.883 0 40 DFAB Cc1ccc(C)c(NC(=O)c2cnc3scc(C)n3c2=O)c1 4121178 AWHHNIXMVVZPPA-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB C[C@@H](NC(=O)CS(=O)(=O)c1ccc2ccccc2c1)C1CC1 47619433 JABCSPSNCNQWMM-GFCCVEGCSA-N 317.410 2.528 0 40 DFAB O=c1cc(CSCc2c(Cl)cccc2Cl)[nH]c(=O)[nH]1 984069 ZMDLOMKZXNGHMY-UHFFFAOYSA-N 317.197 2.803 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 101276611 YIMMZEVCXCXAHH-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB C[C@@H](NC(=O)N1CCc2ccccc21)c1nnc2ccccn12 43229235 NYJXFCDIKIODHM-GFCCVEGCSA-N 307.357 2.563 0 40 DFAB C[C@@H]1CCCN(C(=O)COC(=O)Cc2ccc(Cl)cc2)C1 3254356 BHIMIXMFNWFFTL-GFCCVEGCSA-N 309.793 2.684 0 40 DFAB CC(C)N1CCC[C@H](CNC(=O)N[C@H](C)c2ccccn2)C1 106839184 CPDZTOSIDBCMND-HUUCEWRRSA-N 304.438 2.562 0 40 DFAB O=C(NC[C@H]1CCCO1)N1CC=C(c2ccc(F)cc2)CC1 9645764 DQJWFKQNCFJQKN-MRXNPFEDSA-N 304.365 2.803 0 40 DFAB COC(=O)Cn1c2ccccc2n2nc(-c3cccs3)nc12 1404588 AZLGODVSAKDXCI-UHFFFAOYSA-N 312.354 2.586 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(F)c1 43933318 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CCc1ccc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)cc1F 96491527 XFFGMUPIXFPCRQ-LLVKDONJSA-N 308.275 2.775 0 40 DFAB Cc1cc(C)nc(N2CCC(OC[C@H]3CCCCO3)CC2)n1 96455885 LLMOHESPQFWXII-MRXNPFEDSA-N 305.422 2.648 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244422526 YUJRFLGEYBJMFP-PWSUYJOCSA-N 308.809 2.916 0 40 DFAB c1cc(CO[C@@H]2CCOC3(C2)CN(C2CCCC2)C3)ccn1 247951822 MDTYWLXBNVFBFI-QGZVFWFLSA-N 302.418 2.774 0 40 DFAB O=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(F)cc1 85436538 AEHZKXFKXQSTRO-MRXNPFEDSA-N 302.349 2.749 0 40 DFAB CCc1nnc(NC(=O)Nc2cccc(CCC(=O)O)c2)s1 262557450 UNVMKGRSGINYGI-UHFFFAOYSA-N 320.374 2.762 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](CNC3CCOCC3)[C@H]2O)c1 585286693 OJFRHBUIOAHUSI-ATZDWAIDSA-N 319.445 2.672 0 40 DFAB CC(C)N1C[C@]2(COCCN([C@@H](C)c3ccccc3)C2)CC1=O 585103420 BVDYTKJZJQQVHZ-LPHOPBHVSA-N 316.445 2.707 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc(-c2ccccc2)on1 44941885 DKRWMEPTCGZZEN-GOEBONIOSA-N 311.385 2.698 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)CSC(F)(F)F 48119858 GBWCBSUDIMQSTA-UHFFFAOYSA-N 317.336 2.714 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CCc1cc(F)ccc1F)C(=O)O 95749182 ZUXLZAVVJBKAAH-GFCCVEGCSA-N 315.316 2.875 0 40 DFAB CC[C@@H](C)NC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 80659237 FMWLFXZNTMYNAY-WBVHZDCISA-N 303.450 2.948 0 40 DFAB O=C1NC(c2ccco2)=N/C1=C\c1cccc(Br)c1 5944120 VVULBUUFLATEQU-FLIBITNWSA-N 317.142 2.960 0 40 DFAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCO)c1C 12113347 UXWQEPDAZJDGSH-UHFFFAOYSA-N 314.364 2.865 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCCNc2ncnc3[nH]cnc23)C1 16758126 NXZZPJIANTUEQC-BETUJISGSA-N 302.426 2.523 0 40 DFAB CC(=O)N1CCC(CC(=O)N(C)CCCc2ccccc2)CC1 19748874 FGRJJSZUTSOPKL-UHFFFAOYSA-N 316.445 2.726 0 40 DFAB CC(=O)c1ccc(N2C(=O)C/C(=C/c3ccccc3O)C2=O)cc1 1715322 TWFFYDNKLQQBRP-GDNBJRDFSA-N 321.332 2.942 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccccc1Cl 207979618 ISJQDRDOZPKTQB-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB Cc1noc(CN2CCN(c3cccc(Cl)c3)C[C@@H]2C)n1 568175882 KIGSYCDHVJBVBY-NSHDSACASA-N 306.797 2.742 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1C 3452494 HOBUVBRXUSCWSG-UHFFFAOYSA-N 322.408 2.618 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cc2ccccc2[nH]1 5532192 PMMHFWCWUJGTSG-UHFFFAOYSA-N 324.336 2.972 0 40 DFAB Cc1ccc(C)c(OC(=O)CCNC(=O)c2ccco2)c1C 15960407 OKEBDNUVFAGQPP-UHFFFAOYSA-N 301.342 2.930 0 40 DFAB CCCCCOC(=O)c1ccc(F)cc1NS(C)(=O)=O 51577073 CTENUBQEGQPXDZ-UHFFFAOYSA-N 303.355 2.544 0 40 DFAB O=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1 427923 ALPPPJPFVHETAQ-UHFFFAOYSA-N 318.373 2.759 0 40 DFAB Cc1ccccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N 6868266 OZUDDNNIFCWALJ-UHFFFAOYSA-N 324.369 2.936 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O 12414649 FDAZSWCIFULPID-UHFFFAOYSA-N 312.300 2.934 0 40 DFAB O=C(NC[C@H]1COc2ccccc21)c1cc(-c2cccnc2)on1 345529226 AFUDEGVGHTUBNA-ZDUSSCGKSA-N 321.336 2.643 0 40 DFAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 40162032 KPFANIGCVFWBCA-GDBMZVCRSA-N 314.429 2.697 0 40 DFAB COc1ccc(NC(=O)C[C@]2(C(=O)O)C[C@H]3C=C[C@H]2C3)cc1 100795623 JFWMNGFSKUTFFU-NVGCLXPQSA-N 301.342 2.691 0 40 DFAB biogenic Cc1nnc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)s1 40543646 HAXULGLTJBISTI-UHFFFAOYSA-N 317.292 2.926 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccccn3)cn2)n1 40540927 RXFWFBNFHSYFSO-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(Cc2nnnn2C2CC2)C2CC2)o1 40513734 ONPBWELOVRCZQR-XHDPSFHLSA-N 313.405 2.889 0 40 DFAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccco1 21164350 MUNQTGKNWFPADG-UHFFFAOYSA-N 309.325 2.578 0 40 DFAB Cc1cc(C(=O)NCc2cc(Br)ccc2F)on1 41064906 UFEITXCKEZDSHX-UHFFFAOYSA-N 313.126 2.815 0 40 DFAB COc1ccc(CC(=O)Nc2noc(-c3ccccc3)n2)cc1 21800451 YJTBKEIAMXTCEN-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB biogenic CCOC(=O)c1[nH]c(-c2ccco2)nc1NC(=O)c1ccco1 33435927 AOXADYLZOXXYQS-UHFFFAOYSA-N 315.285 2.692 0 40 DFAB CC(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 1003859 PURGNTBPZPRXAE-UHFFFAOYSA-N 319.430 2.582 0 40 DFAB CCOC(=O)c1c(C(=O)OCC)c(O)c2ccccc2c1O 1592239 GTBYFJITPRWOBT-UHFFFAOYSA-N 304.298 2.604 0 40 DFAB Cc1ccccc1C(=O)NC(O)(C(F)(F)F)C(F)(F)F 1650015 SMXVQRCIOXFCHT-UHFFFAOYSA-N 301.186 2.538 0 40 DFAB COc1c(Cl)cccc1NC(=O)NC[C@@](C)(O)c1ccco1 78936793 IYDLEOZZMWQBQU-OAHLLOKOSA-N 324.764 2.971 0 40 DFAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1n[nH]c2ccccc12 79482588 YTUUOSDLWIBJLY-JTQLQIEISA-N 315.358 2.518 0 40 DFAB O=C(CSc1nnc(Nc2ccccc2)s1)NC1CC1 3529044 YWMICLXTMUVTGJ-UHFFFAOYSA-N 306.416 2.652 0 40 DFAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC1CCCCC1 6097893 BSDYJGOWAXUIKL-LBPRGKRZSA-N 322.478 2.934 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6746877 LMJMKTJBFNFKMO-GUHGHRINSA-N 311.259 2.565 0 40 DFAB C1C[C@@H]2[C@@H]3C[C@H](C[C@@H]3NC3CCN(C[C@@H]4CCOC4)CC3)[C@H]2C1 104346443 BFEYRZVFISWBCT-GJRGARDJSA-N 318.505 2.902 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)OCc2cc(C)no2)cc1 8543851 CPOFTOLOCAGNKO-UHFFFAOYSA-N 304.302 2.908 0 40 DFAB C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(C(N)=O)cc1F 84069679 RXMSSZVLUXNERP-NSHDSACASA-N 322.380 2.991 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57354995 QBKOIAWYPUCRRG-XJKSGUPXSA-N 306.381 2.604 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100395089 HFWAHWIOXYPHKM-GBALJZQLSA-N 322.408 2.726 0 40 DFAB CCSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 57856318 BERMPLNPWHSJMC-UHFFFAOYSA-N 304.419 2.524 0 40 DFAB COc1cccc([C@H](CNC(=O)c2ccco2)N2CCCC2)c1 27340787 DSYMCHYSWFQYLW-INIZCTEOSA-N 314.385 2.855 0 40 DFAB O=C(C[S@](=O)Cc1ccccc1)N1CCc2sccc2C1 58131461 OMEOPWVXMIHJMT-NRFANRHFSA-N 319.451 2.582 0 40 DFAB COc1c(Cl)cc(C(=O)Nc2nonc2C)cc1Cl 27794683 WRYAEAGXHQXYLP-UHFFFAOYSA-N 302.117 2.946 0 40 DFAB O=C(CC1(Cn2cnnn2)CCCCC1)NC1CCCCCC1 36352755 OYGSBPRRQJTWRV-UHFFFAOYSA-N 319.453 2.853 0 40 DFAB COc1ccc(OCCNC(=O)CCc2ccccc2O)cc1 59461455 FKDGRJGHHZDRJG-UHFFFAOYSA-N 315.369 2.529 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cc(C)nc3c2cnn3C)cc1 36615777 PNNOYPXYVHXYRJ-UHFFFAOYSA-N 308.341 2.732 0 40 DFAB CC(C)c1nc2oc3c(NCCN)ncnc3c2c2c1CCC2 2441836 LNZDRRUUDBEVDY-UHFFFAOYSA-N 311.389 2.754 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)c2ccccc2Cl)n1 10056666 ZMKQQXRMEYVSEW-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB C[C@@H]1Oc2ccc(N)cc2N(CCCOc2ccccc2)C1=O 11568992 CHPBLEUYDSRIBL-ZDUSSCGKSA-N 312.369 2.852 0 40 DFAB Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)n1 48332600 FXPRAVSKEQTKQJ-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB C[C@@H](CNC(=S)NCc1ccccc1)N1CCCC[C@H]1C 36847565 SNISHSJZIZBGRT-CABCVRRESA-N 305.491 2.914 0 40 DFAB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1C 2634929 PDLUZBXYMBLRCL-UHFFFAOYSA-N 306.749 2.730 0 40 DFAB O=C(CCSc1nncs1)Nc1ccc(F)c(F)c1 12952111 AYGIEYFWGOXZSK-UHFFFAOYSA-N 301.343 2.937 0 40 DFAB Cc1ccccc1CS(=O)(=O)Cc1cccc2c1OCCO2 64356873 SZXDCRZHTRUXKE-UHFFFAOYSA-N 318.394 2.881 0 40 DFAB CCS(=O)(=O)N(C)C1CCN(Cc2ccc(C)cc2C)CC1 93321044 MDISUKGFHOHHKR-UHFFFAOYSA-N 324.490 2.549 0 40 DFAB Cc1cc(-c2ccccc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72351325 HEEKTQXQJQNFIG-HNNXBMFYSA-N 317.414 2.549 0 40 DFAB O=C(OCCOc1ccccc1F)c1n[nH]c2ccccc12 6370739 BOJVEBLAHIMUHG-UHFFFAOYSA-N 300.289 2.938 0 40 DFAB CC1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 4476180 NNWMQLKGLRXSRT-UHFFFAOYSA-N 308.389 2.506 0 40 DFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c(C)c1 5326920 LCBRMBDBHLAJHO-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB CCc1cc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)on1 84160796 GRHXGEYZLOEOST-UHFFFAOYSA-N 321.327 2.783 0 40 DFAB C[C@]1(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CCCS1 97049501 PVTBFLTWJKIUAA-DZGCQCFKSA-N 308.451 2.932 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CSC2=NCCS2)cc1 5592856 CEPZOGQJINUYRY-UHFFFAOYSA-N 324.427 2.638 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1Cl 7305188 SWNFTYQWHTXPHE-MRVPVSSYSA-N 314.794 2.984 0 40 DFAB CCn1c(SCC(=O)NCc2cccs2)nnc1C1CC1 7618256 KDDKXQKMPSTYEN-UHFFFAOYSA-N 322.459 2.645 0 40 DFAB CC1=C(O)N2C(=NN1)C(n1nc(C)cc1C)=Nc1ccccc12 16283340 FNHAHFXWQCPWDV-UHFFFAOYSA-N 308.345 2.562 0 40 DFAB COc1ccc(CC(=O)Nc2ccccc2-c2nncn2C)cc1 68727204 AEEJKNCGBOLYCB-UHFFFAOYSA-N 322.368 2.672 0 40 DFAB CC(C)c1ccccc1OCC(=O)N1CCC(C(=O)O)CC1 8026820 PMRACIUNESGQCJ-UHFFFAOYSA-N 305.374 2.512 0 40 DFAB CC(C)c1cnc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)s1 96425802 FGGUHZPDMVUEEH-CYBMUJFWSA-N 309.435 2.852 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)s1 69349587 ANUUJBHQAPIMDN-UHFFFAOYSA-N 319.338 2.574 0 40 DFAB COC(=O)c1cc2ccccc2cc1NC(=O)c1cnsn1 69432445 ZODQXAODLNKOFG-UHFFFAOYSA-N 313.338 2.730 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1 69569275 DDYYLSVSPSKARK-MRXNPFEDSA-N 316.445 2.928 0 40 DFAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1 69510358 NUGSOFVINGQMDK-HZPDHXFCSA-N 314.429 2.926 0 40 DFAB O=C(CCCc1nc2ccccc2o1)N1CCO[C@H]2CCC[C@H]21 71823523 GAAXPXSWWLDXHN-ZBFHGGJFSA-N 314.385 2.930 0 40 DFAB COC(=O)c1ccoc1COc1cc(C)ccc1NC(C)=O 69844347 QHLQYPYJCSVLCF-UHFFFAOYSA-N 303.314 2.912 0 40 DFAB COc1ccc(-c2cnc(CNCCn3cc(C)cn3)o2)cc1 69976443 BGCQSIVFDVZVTL-UHFFFAOYSA-N 312.373 2.645 0 40 DFAB CCSCCC(=O)NCCc1nc2ccc(F)cc2n1C 71893196 MGCGRSREGWSBLC-UHFFFAOYSA-N 309.410 2.514 0 40 DFAB CNc1ccccc1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 18267808 IRXURLXYNFIGKC-LLVKDONJSA-N 323.352 2.883 0 40 DFAB Cc1cc(C)n(C[C@@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)n1 71818908 QRUMUGBISAUZLB-CYBMUJFWSA-N 315.392 2.876 0 40 DFAB CCn1cnnc1SCC(=O)Nc1ccc(F)cc1Cl 8705524 AAJRQCWXSYIADC-UHFFFAOYSA-N 314.773 2.821 0 40 DFAB CCc1ccc(O)c(C(=O)N2CCCC[C@H]2c2ncon2)c1 94160976 QORCYYGLOKBVIZ-ZDUSSCGKSA-N 301.346 2.705 0 40 DFAB CC(=O)Nc1nc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cs1 72311348 NDTJLWLXGUGBCV-VIFPVBQESA-N 323.443 2.866 0 40 DFAB C[C@H](N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(=O)N(C)C 97112484 OLCGFPYBDYLZBB-ZJUUUORDSA-N 322.796 2.517 0 40 DFAB C[C@@H](CNC(=O)N[C@H]1CCc2c(O)cccc21)c1nccs1 97114649 WGKDMWSNBICQSJ-GWCFXTLKSA-N 317.414 2.939 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCN1CCn2c(nnc2C2CC2)C1 84691977 GDVYWUNWEPQMDG-ZFWWWQNUSA-N 304.438 2.566 0 40 DFAB C[C@H](NC(=O)Nc1cccnc1)[C@@H](O)c1c(F)cccc1F 95403836 XZBGEACGRXXAKA-LKFCYVNXSA-N 307.300 2.603 0 40 DFAB O[C@@H]1CCCC[C@@H]1N1CCN(CCSc2ccccc2)CC1 95976591 INCWOQIAXSPPAW-ZWKOTPCHSA-N 320.502 2.700 0 40 DFAB C[C@@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)[C@@H]1CCOC1 95991054 PGDUYXKRWROIEW-MWLCHTKSSA-N 316.323 2.670 0 40 DFAB Cc1c[nH]cc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1=O 95992987 IXVAUFYCJNGCSL-JTQLQIEISA-N 322.311 2.776 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2csc(COC)n2)C12CCCC2 76067962 QGYPQHBNVQSBOZ-QWHCGFSZSA-N 324.446 2.757 0 40 DFAB Cc1ccc2c(Cn3cnc4ccsc4c3=O)cc(=O)oc2c1 32850501 DVCZCLWQMNOELK-UHFFFAOYSA-N 324.361 2.921 0 40 DFAB CC(C)(C(=O)O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 72209255 FAELBIDDGONASK-UHFFFAOYSA-N 322.364 2.807 0 40 DFAB CCn1nc(C)c2nc(C(C)C)nc(NC[C@@H]3CCCO3)c21 72238342 RVEJSKZWMAGESK-LBPRGKRZSA-N 303.410 2.869 0 40 DFAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)C(C)C)C2)on1 72334663 CKWGDGPLWDDURS-ZDUSSCGKSA-N 314.389 2.802 0 40 DFAB CCOCCCNC(=O)c1cc2cc(OC)ccc2nc1C 196203087 OQHOPWNOWMIPOO-UHFFFAOYSA-N 302.374 2.708 0 40 DFAB CCc1ccc(C(C)(C)C(=O)NCc2cccc(CO)n2)cc1 521114992 PSAJEJZGBYZSSD-UHFFFAOYSA-N 312.413 2.730 0 40 DFAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 72324767 JGUNZNOVQQBWJF-CYZMBNFOSA-N 315.244 2.633 0 40 DFAB O=C(CCn1ncc2ccccc21)NCC[C@H](O)c1ccccc1 72243120 AZSMFHBMRYLUAN-SFHVURJKSA-N 323.396 2.666 0 40 DFAB COc1ccc2c(c1)C=C(CN1C[C@H]3CCCN3C[C@H]1C)CO2 72324699 GXVYHJKWSNYSAI-RHSMWYFYSA-N 314.429 2.640 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78403967 DZRDEFZYXWTTSP-NSHDSACASA-N 318.398 2.853 0 40 DFAB CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340188 UZALNYNQEBRSDO-RVKKMQEKSA-N 319.376 2.701 0 40 DFAB C[C@@]1(C(=O)Nc2nccs2)Oc2ccc(Cl)cc2NC1=O 41550151 IMOJEIGYFQKNBL-CYBMUJFWSA-N 323.761 2.525 0 40 DFAB CCN1CCN(c2ncc([C@@H](O)c3ccccc3)cc2C)CC1 72222590 ALCAWAWUIZYHMP-SFHVURJKSA-N 311.429 2.614 0 40 DFAB COC(=O)c1sc(Cc2ccc(OC)c(OC)c2)nc1C 49917283 ZHJJCJXIUQPQCP-UHFFFAOYSA-N 307.371 2.846 0 40 DFAB Cc1ccc(CC(=O)N[C@@H](CCC(=O)O)c2ccccc2)cn1 139384464 XBWULDYPVADCOT-INIZCTEOSA-N 312.369 2.655 0 40 DFAB COC(=O)c1nc2cc(Cl)ccn2c1NCc1ccco1 49546238 NQAJAKADBISREF-UHFFFAOYSA-N 305.721 2.979 0 40 DFAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1 225893870 TUGUKAJFQQWPGP-KRWDZBQOSA-N 324.421 2.887 0 40 DFAB COc1ccc(O[C@H](Cc2cccc(OC)c2)C(=O)O)cc1 225100022 RQROXIZQXLYOLZ-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB CCS[C@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96450543 NBSZLGGYNQJFCJ-ZFWWWQNUSA-N 316.426 2.932 0 40 DFAB C[C@H](O)CN(C)C(=O)NCC(c1ccccc1)c1ccccc1 91205966 ZIKGZWDVLGPZQF-HNNXBMFYSA-N 312.413 2.841 0 40 DFAB COC(=O)c1ccc2c(c1)CN(c1cccc(F)c1)C(=O)CO2 96530216 RYVXMPCBUCSEAC-UHFFFAOYSA-N 315.300 2.538 0 40 DFAB CN(C)C(=O)COc1cccc(CNc2nc3ccccc3[nH]2)c1 96485848 ZVSKTTBRINZQNB-UHFFFAOYSA-N 324.384 2.642 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccco1 96424036 AZHPLQZUWJHSDS-NEPJUHHUSA-N 308.378 2.703 0 40 DFAB C[C@]1(C(=O)NCc2ccco2)CC(c2cccc(F)c2)=NO1 96192964 PVZCFMFAMAJEEE-MRXNPFEDSA-N 302.305 2.618 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2cc(C)on2)cc1 583615660 YWNKIXHWSMZGPO-ZWKOTPCHSA-N 316.401 2.864 0 40 DFAB O=C(NCc1cccnc1)c1cc(-c2cc[nH]n2)n2ccccc12 96266638 VSCQECHIQUGHHA-UHFFFAOYSA-N 317.352 2.654 0 40 DFAB C[C@@H](C(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccccc1 97097242 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DFAB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCc2ccccc2C1 698520455 GSVAHSWZNQPOSH-GJZGRUSLSA-N 319.401 2.858 0 40 DFAB O=C(CCc1ccccc1OC(F)(F)F)NC[C@H]1CCCO1 66265880 AHPIITUOIYLTLZ-GFCCVEGCSA-N 317.307 2.813 0 40 DFAB Cn1ccnc1CNC(=O)CCc1ccc(Cl)c(Cl)c1 78488617 IFGJCSNTBZKIHO-UHFFFAOYSA-N 312.200 2.976 0 40 DFAB CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1SC 89385901 UBAPRNVTPYZSLE-ZJUUUORDSA-N 312.460 2.505 0 40 DFAB Cc1cccc(-c2nnc([C@H](C)N3CCn4ccnc4C3)o2)c1 97201488 UNRVSQZQKGSGQZ-ZDUSSCGKSA-N 309.373 2.818 0 40 DFAB CNC(=O)c1ccccc1CNC(=S)Nc1cccc(C)c1 5553780 VBBAUGUTDYNYSI-UHFFFAOYSA-N 313.426 2.841 0 40 DFAB COc1ccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 11596449 WNPCQTXIXCYIBP-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB COc1cc2c(cc1OC)[C@H](c1ccncc1)N(C(C)=O)CC2 19019279 OPCIHWSSSBDFJU-SFHVURJKSA-N 312.369 2.593 0 40 DFAB CNC1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 19591965 ZIDUZVBEGMQOFY-UHFFFAOYSA-N 314.429 2.718 0 40 DFAB CCCC(=O)Nc1cccc([C@H]2C[C@@H](NC(C)=O)CCO2)c1 19712268 FQOXYJKFHCPPIZ-JKSUJKDBSA-N 304.390 2.781 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccccc2C=O)C1 201933778 YWSZKCINADDRAD-CQSZACIVSA-N 304.390 2.993 0 40 DFAB O=C(OCC(=O)N1CCCCC1)c1cc(F)c(F)cc1Cl 3525748 HZKCMMMGLLHEOV-UHFFFAOYSA-N 317.719 2.788 0 40 DFAB O=C(COC(=O)c1ccccn1)Nc1ccc(C(F)(F)F)cc1 5060591 WXPFDTCIXLYOSA-UHFFFAOYSA-N 324.258 2.896 0 40 DFAB Cc1cc(C(=O)NCCn2nc(C)c(-c3ccccc3)c2C)no1 238870987 MWVPTFHTSSLDND-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nccnc1Cl 113369902 DLDJZGBZANJUQH-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB C[C@H](O)c1ccc(C2(CNC(=O)[C@H]3CCOC3)CCCC2)s1 585370171 GQTLGFHRIUQOSN-STQMWFEESA-N 323.458 2.766 0 40 DFAB O=C1CCc2cc(OCCOC(=O)c3ccccc3)ccc2N1 101702410 PLXDQKNTKWWAMC-UHFFFAOYSA-N 311.337 2.807 0 40 DFAB CCCCNC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 40018139 GIFYZWHYNUZOKB-HNNXBMFYSA-N 316.405 2.617 0 40 DFAB Cc1cccc(OCCC(=O)Nc2ccc(-n3cccn3)nc2)c1 40057865 BUVBOGHGLQIAPR-UHFFFAOYSA-N 322.368 2.983 0 40 DFAB CCN(CC)c1ccc(CNC(=O)c2cccc(F)c2)cn1 40118596 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C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)Nc1cccnc1 103200556 NDLRVHXPONQDRJ-VNHYZAJKSA-N 303.406 2.741 0 40 DFAB Cc1c(NC(=O)Cc2cnc3ccccc3c2)cccc1C(N)=O 97104159 ONACLPXWQPVYLR-UHFFFAOYSA-N 319.364 2.823 0 40 DFAB CN(Cc1ccncc1)C(=O)Nc1cccc(OCC(F)F)n1 97143270 KQDVLSXJMUVRIF-UHFFFAOYSA-N 322.315 2.784 0 40 DFAB Cc1nnc(NC(=O)Cc2cc(-c3ccccc3)on2)s1 12862151 WKAYZDTUFKNLOE-UHFFFAOYSA-N 300.343 2.683 0 40 DFAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)N(CCO)C(C)C)c1 97113446 PIMRKWOOPNLIQY-UHFFFAOYSA-N 316.405 2.724 0 40 DFAB CCCOc1c(Cl)cc(C(=O)N(CC)CCO)cc1OC 97177636 IOIYNWQCOCRJEA-UHFFFAOYSA-N 315.797 2.592 0 40 DFAB COCCN(C(=O)c1oc(Br)cc1C)C1CC1 46135301 OWGVXGKUILVNHF-UHFFFAOYSA-N 302.168 2.602 0 40 DFAB C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(C(N)=O)cc1 46151519 GWQZFTHFYNSDGK-NSHDSACASA-N 321.373 2.601 0 40 DFAB Cn1c(SCC(=O)Nc2ccccc2)nnc1C(F)(F)F 3431672 MIPYAOIUUZFEFM-UHFFFAOYSA-N 316.308 2.565 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@@H]1c1cccs1 13110214 YYPCDLFCLXCLOA-HZSPNIEDSA-N 316.426 2.794 0 40 DFAB COC(=O)c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)oc1C 39004496 ICUOTTCUSYKCDP-JTQLQIEISA-N 310.350 2.842 0 40 DFAB CCN1CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1 5071789 DUIITUKMHKGDFO-UHFFFAOYSA-N 319.412 2.834 0 40 DFAB COc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 4275413 JTVZIVXLHKWWJH-UHFFFAOYSA-N 318.354 2.645 0 40 DFAB NC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1 6290394 UAEULXPOAFWEJO-UHFFFAOYSA-N 321.279 2.649 0 40 DFAB Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccco2)on1 65458998 CSZPVVSVAAAJSY-QWHCGFSZSA-N 303.362 2.590 0 40 DFAB COc1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1C 65538894 JBEOHUXESWTGEB-NSHDSACASA-N 308.378 2.855 0 40 DFAB COc1ccc(OCCn2cnc3ccsc3c2=O)cc1 14134751 MEGKWSZTJASYBP-UHFFFAOYSA-N 302.355 2.546 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)CSCC(=O)c1ccccc1 65609864 IICWGFXKZGVQFX-ZDUSSCGKSA-N 317.410 2.943 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCCCN1C(=O)c1ccccc1 65627051 LNUAIDXRBOJEJJ-MRXNPFEDSA-N 309.369 2.715 0 40 DFAB CS(=O)(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96000633 KIYKBNIVNOQEJE-CYBMUJFWSA-N 321.402 2.613 0 40 DFAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)OC)CC1 175722087 CORBMTNNGRTYRW-INIZCTEOSA-N 319.401 2.564 0 40 DFAB O=S(=O)(NCc1ccc(Cl)cc1)N1CCCCCC1 14850218 RFPXMFUSHLIYSR-UHFFFAOYSA-N 302.827 2.550 0 40 DFAB CCOc1ccc(C)cc1S(=O)(=O)n1cc(C)nc1CC 4911187 WVPSGGXFABFMGE-UHFFFAOYSA-N 308.403 2.698 0 40 DFAB Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 7249708 KQIIQLYETLPNEW-UHFFFAOYSA-N 315.354 2.512 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)c1c[nH]c2ccccc12 7535229 PVCLWJBKHGZKCV-SSDOTTSWSA-N 304.400 2.965 0 40 DFAB COc1ccccc1NC(=O)C[C@@H](NC(C)=O)c1ccccc1 9450609 RRGONGCWSNGYHD-MRXNPFEDSA-N 312.369 2.901 0 40 DFAB COc1cccc(-c2noc(C3(S(C)(=O)=O)CCCC3)n2)c1 96449333 DKRZMHZSXBPSLN-UHFFFAOYSA-N 322.386 2.559 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 70011507 KMQHNHQOLGKEHQ-AWEZNQCLSA-N 324.384 2.739 0 40 DFAB CCOc1cc2nccc(N3CCC(O)CC3)c2cc1OCC 69323224 FSVIDKXHTGFXSD-UHFFFAOYSA-N 316.401 2.993 0 40 DFAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC=CCC1 8404144 XGWWWBIVQIJYEH-LBPRGKRZSA-N 305.374 2.685 0 40 DFAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C)c1ccncc1 69568964 VWAQBBNSBIYWSQ-ZIAGYGMSSA-N 317.433 2.734 0 40 DFAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3Cn3cccn3)cn12 69739674 ZLJQBMQGEWFAIL-HNNXBMFYSA-N 323.400 2.534 0 40 DFAB CCCCNC(=O)Cc1noc(CNc2ccccc2Cl)n1 69813593 AMVIUYHSDMFRNO-UHFFFAOYSA-N 322.796 2.794 0 40 DFAB Cc1cc(C)n(C2CN(Cc3nnc(-c4occc4C)o3)C2)n1 71880656 MQHSCSKOELUSQD-UHFFFAOYSA-N 313.361 2.508 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)CCNC(=O)C(C)(C)C)C1 71899372 PPVKFUUCXQUMDQ-CYBMUJFWSA-N 314.495 2.673 0 40 DFAB CCC(=O)C1(NC(=O)c2cccc3c2OCCO3)CCCCC1 71924164 QVFVWFPFGUVKCM-UHFFFAOYSA-N 317.385 2.870 0 40 DFAB C[C@@H]1CN(C2CCN(CCSc3ccccc3)CC2)CCO1 71910669 ZMZBGOVNGBNARY-MRXNPFEDSA-N 320.502 2.964 0 40 DFAB CCc1ccccc1OC1CN(C(=O)[C@H]2CCCCCN2C)C1 95364255 FMDIIOLDLVCHCL-QGZVFWFLSA-N 316.445 2.713 0 40 DFAB CCS(=O)(=O)CCCN1CCC[C@@H]1Cc1cccc(F)c1 95401434 AEAHZBDDWTWWNO-MRXNPFEDSA-N 313.438 2.657 0 40 DFAB C[C@@H](O)CCN(C)C(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 95971268 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CC1(C)OCC2(CO1)CN(C(=O)c1ccc3ncsc3c1)C2 70971364 PESJXMHRCSZBKI-UHFFFAOYSA-N 318.398 2.521 0 40 DFAB CC1(C)COc2ccc(/C=C3/SC(=O)NC3=O)cc2OC1 225370122 JKLVHCQSCYSEGZ-WUXMJOGZSA-N 305.355 2.808 0 40 DFAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1nccn2ccnc12 81432002 QKGZKTITSWGROS-LLVKDONJSA-N 310.332 2.628 0 40 DFAB Brc1nnc(Br)n1-c1ccccc1 196370070 ADCKXERCYZWFRT-UHFFFAOYSA-N 302.957 2.792 0 40 DFAB Cc1csc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1 225721388 WWNCTKFPYYKESZ-NSHDSACASA-N 321.427 2.983 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H](N)c1ccccc1 195544141 IEVCESVDQNZIAB-JLSDUUJJSA-N 310.397 2.675 0 40 DFAB Cc1csc(CNc2cccc(CN3CCN(C)CC3)c2)n1 80196320 KIUIFZFCDUDNJY-UHFFFAOYSA-N 316.474 2.811 0 40 DFAB O=C(c1ccccc1)N1CCC2(CCCN2c2ncccn2)CC1 96227967 RFJRQCJEOJGAFV-UHFFFAOYSA-N 322.412 2.752 0 40 DFAB Cc1cccc(C(=O)NCCN[C@H](C)c2cnc(C)s2)c1 95445300 MWZMFRRNFKZTOC-GFCCVEGCSA-N 303.431 2.841 0 40 DFAB CN(C(=O)c1ccc(NCc2ccon2)cc1)C1CCOCC1 96455436 VYXAQNRMGUQZGW-UHFFFAOYSA-N 315.373 2.538 0 40 DFAB Cc1cc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)nn1C 96431972 DFJFFMXMWJXQSP-LLVKDONJSA-N 307.781 2.579 0 40 DFAB COCc1nc2n(n1)C[C@H](NC1CCC(=C3CCC3)CC1)CC2 583651051 FYAJSXITVUDHBN-MRXNPFEDSA-N 316.449 2.752 0 40 DFAB CC[C@@H](C)n1cnc(S(=O)(=O)Nc2ccc(C)c(O)c2)c1 96471799 OHZJKKYDBQMUTR-LLVKDONJSA-N 309.391 2.669 0 40 DFAB CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@H]2CC=CC[C@H]2C1 96462003 RBYQFARPZGZMPS-OKILXGFUSA-N 322.449 2.962 0 40 DFAB COc1ccc(CN2C[C@H]3C(=O)N(c4ccccc4)C[C@H]3C2)cc1 96053590 IXHQRAKIVMRCTJ-VQIMIIECSA-N 322.408 2.790 0 40 DFAB Cc1noc(C)c1CN1CCn2c(nnc2-c2ccccc2)C1 96441781 YHUXMAYKTRCLSU-UHFFFAOYSA-N 309.373 2.566 0 40 DFAB Cc1ncc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)[nH]1 581476105 NEQUCADUHLPJCJ-INIZCTEOSA-N 319.792 2.503 0 40 DFAB CC(C)OCCS(=O)(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 96451050 AUFMXCGCZKRTTN-JSGCOSHPSA-N 317.476 2.681 0 40 DFAB Clc1cc(CCSc2ncn[nH]2)cc2c1OCCCO2 95462917 GVEYTPSTOVXJKV-UHFFFAOYSA-N 311.794 2.954 0 40 DFAB c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccsc2)c1 96041680 QCALDMCDNCNHJZ-GVDBMIGSSA-N 316.426 2.954 0 40 DFAB C[C@H](NCC(=O)NCc1cccnc1)c1ccc(Cl)s1 97374106 LQGAJFQNZBBURH-JTQLQIEISA-N 309.822 2.764 0 40 DFAB CC(C)N(C)Cc1cn2c(n1)CN(Cc1cccs1)CC2 96197198 QGERTXMEIDMKFQ-UHFFFAOYSA-N 304.463 2.801 0 40 DFAB CCc1cccc(NC(=O)N2CCn3cnc(COC)c3C2)c1 96260129 PVKSPQMNYKNYGT-UHFFFAOYSA-N 314.389 2.640 0 40 DFAB c1cc2n(n1)[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 247925188 ARUXWTJYKNBXOV-MRXNPFEDSA-N 303.431 2.928 0 40 DFAB Cc1cc2cc(C(=O)N3CCO[C@@H](c4cnccn4)C3)ccc2o1 257327263 XARWBAKFNDZVIL-QGZVFWFLSA-N 323.352 2.745 0 40 DFAB Cn1c(CN2CCC[C@@H](c3cnccn3)C2)nc2ccccc21 257293448 QPLSOIGOIXDPRM-CQSZACIVSA-N 307.401 2.743 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCn2nccc2C1 253470842 ABTKVWCWLRMXEE-ZDUSSCGKSA-N 323.318 2.576 0 40 DFAB CC(C)(NC(=O)Nc1ccccc1CS(C)(=O)=O)C1CCC1 454623290 AJPIZEXDBITORZ-UHFFFAOYSA-N 324.446 2.931 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 299851124 YLGBMNAVNMKKAE-AWEZNQCLSA-N 321.428 2.995 0 40 DFAB 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2.702 0 40 DFAB COCC(=O)Nc1ccc(Nc2nc(C)nc3[nH]ccc23)cc1 80946046 FPUWSVXXBJGUMC-UHFFFAOYSA-N 311.345 2.595 0 40 DFAB O=C(C[C@H]1C=CCC1)N1CCN(CCOc2ccccc2)CC1 39978491 PVXJGSIQLUQPDM-KRWDZBQOSA-N 314.429 2.566 0 40 DFAB CNCC1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 97095614 BHKKCDZBCSTITJ-UHFFFAOYSA-N 312.461 2.921 0 40 DFAB C[C@H](CNC(=O)CCc1cccc(F)c1)CC1(C)OCCO1 96418646 FQAIKJHUPLBUCP-ZDUSSCGKSA-N 309.381 2.664 0 40 DFAB C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)CC1(C)OCCO1 96443732 RWDNDTZPSNFBSO-QMMMGPOBSA-N 321.204 2.841 0 40 DFAB COc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(N)oc2c1 5020376 OZWDHZZJCBTEAE-UHFFFAOYSA-N 307.309 2.927 0 40 DFAB CCOC(=O)c1ccc(Br)cc1C(=O)OCC 5858238 SKEUPOHSMLHHSS-UHFFFAOYSA-N 301.136 2.803 0 40 DFAB COC(=O)COC(=O)c1c2c(nc3ccc(C)cc13)CCCC2 11683577 VLFKCRFDZSPTHQ-UHFFFAOYSA-N 313.353 2.752 0 40 DFAB COc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2)cc1 14796083 DTPGRDPXSQTOAR-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB CC(C)C(=O)N1[C@@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@H]21 19713948 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IVADAKRVAFHLAF-CYBMUJFWSA-N 324.833 2.977 0 40 DFAB Cc1cccc([C@H](C)Nc2cnn(CCN3CCOCC3)c2)c1 97038625 ZSXNSLFYQHXCOK-INIZCTEOSA-N 314.433 2.697 0 40 DFAB S=C(NCc1ccc(-n2cnc3ccccc32)nc1)NC1CC1 57815257 WDELDGFNANZAMX-UHFFFAOYSA-N 323.425 2.547 0 40 DFAB CN(C)[C@H](CNC(=O)COc1ccccc1F)c1ccccc1 10017797 DCIHTZQJYXXRTB-MRXNPFEDSA-N 316.376 2.624 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CCOc2ccccc2)C1 3244534 WSKASDNGLBUWPC-HUUCEWRRSA-N 319.401 2.503 0 40 DFAB Nc1cc(C(=O)OCC(=O)NC2CCCCC2)ccc1Cl 3237823 QTEAEDAVSRYQII-UHFFFAOYSA-N 310.781 2.528 0 40 DFAB C[C@H](S[C@H](C)C(=O)N1CCNC1=O)c1c(F)cccc1F 58251652 ZTJAYNFJUPABGO-DTWKUNHWSA-N 314.357 2.699 0 40 DFAB CN(C[C@H]1CCCO1)C(=O)CCc1nc2ccccc2s1 58393192 VZKDZOBYOXFTEU-GFCCVEGCSA-N 304.415 2.866 0 40 DFAB c1coc([C@@H](CNc2cncc(-n3cccn3)n2)N2CCCC2)c1 58407032 NHHDBDVMVMEDCJ-CQSZACIVSA-N 324.388 2.504 0 40 DFAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCO)(C4)C2)C3)cc1 100872878 VBSATAOIKOBEGS-JZFKGDSASA-N 313.441 2.942 0 40 DFAB CC[C@@H](C(=O)c1ccccc1)[P@](=O)(NN)c1ccccc1 2248865 CBFSUFIULJHBQH-BTYIYWSLSA-N 302.314 2.715 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C)o2)cc1 3354268 RRVBLIFLSLKRRN-VIFPVBQESA-N 305.359 2.700 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCO1 11496405 BCGKFGYTULARSE-CYBMUJFWSA-N 311.385 2.611 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2c[nH]c3ccccc23)n1 48407770 DUGQNINTXJQALY-CYBMUJFWSA-N 324.428 2.976 0 40 DFAB CN1CCCN(CCCN[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 92746532 LCBRGSCNJOIDEV-LMMKCTJWSA-N 307.526 2.818 0 40 DFAB Cc1cnc(NC(=O)c2cccc(CN3CCCC3=O)c2)s1 13002619 NJOGDILKWWIWOL-UHFFFAOYSA-N 315.398 2.826 0 40 DFAB O=C(NC1CCCCC1)c1cn(-c2cccc(Cl)c2)nn1 13355663 FWVLAWWMDFDZDB-UHFFFAOYSA-N 304.781 2.983 0 40 DFAB COCc1nc(C(=O)OCc2cc(OC)ccc2OC)cs1 65047186 TUYONLSAIKPHAT-UHFFFAOYSA-N 323.370 2.664 0 40 DFAB O=C(NCCCOC[C@@H]1CCCO1)c1cc2c(s1)CCC2 65399465 KRDQVFVKHPVLKR-ZDUSSCGKSA-N 309.431 2.552 0 40 DFAB CCN(C[C@@H]1CCCO1)c1ncnc2c1cnn2-c1ccccc1 65412435 XNHOHOXAULBTPX-HNNXBMFYSA-N 323.400 2.821 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 14094909 VMPXTRRATQTNEO-HNNXBMFYSA-N 301.371 2.517 0 40 DFAB COc1ccc(CCC(=O)N2CCCN(CC(C)C)CC2)cc1 65565741 GEWSDUXXNHYTDT-UHFFFAOYSA-N 318.461 2.818 0 40 DFAB CCSCCC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 65606153 KZVRXKQTBFVOAK-CQSZACIVSA-N 310.463 2.984 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1F 6537627 HOCFKSLPBNQWLS-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 66043635 WJDRUQNHCOOCFL-WDEREUQCSA-N 324.306 2.686 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@@H]3CCCC[C@H]3C2)c1 96007500 UNLLDIBULVJZOM-GJZGRUSLSA-N 321.442 2.919 0 40 DFAB CC1CCC(N2C[C@@H](C(=O)OC[C@@H]3CCCCO3)CC2=O)CC1 66752880 AJFVCOQHISIUTI-GRAKBVBRSA-N 323.433 2.526 0 40 DFAB Cc1cc(C)c(CNC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]1 7117988 VNJNHRUYGXTAMR-UHFFFAOYSA-N 322.767 2.643 0 40 DFAB O=C(Cc1nc2c(s1)C(=O)CCC2)NCc1ccccc1 97141307 VLOOBKVPGBBWFI-UHFFFAOYSA-N 300.383 2.521 0 40 DFAB C[C@@H](CC[C@@H]1CCCO1)NS(=O)(=O)Cc1cccc(F)c1 68908084 KTMXBWRHZDAARZ-WFASDCNBSA-N 315.410 2.593 0 40 DFAB O=C(NCc1ccccn1)c1cc(Br)ccc1F 8289873 QZVFQXXSLHQROA-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB O=C(CCN1CCC(CN2CCCC2)CC1)Nc1ccccc1 69348729 NDNPURAVIIWBEG-UHFFFAOYSA-N 315.461 2.823 0 40 DFAB Cc1cc([C@@H](C)NC(=O)NCC(=O)NC2CCCCC2)c(C)o1 69329605 CLCCZKNYPAQRFJ-GFCCVEGCSA-N 321.421 2.706 0 40 DFAB Cc1cnc([C@@H](C)CNC(=O)NCCc2cscn2)s1 97110590 DAIPCWYVPJEEDT-VIFPVBQESA-N 310.448 2.553 0 40 DFAB CSc1nsc(SCC(=O)Nc2nc(C)cs2)n1 17044437 BYMIPFFANWWJHM-UHFFFAOYSA-N 318.474 2.756 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 69585593 OQVRQYHTTBJITJ-ROUUACIJSA-N 324.428 2.571 0 40 DFAB CCOc1cccc(CNC(=O)COc2ccc(OC)cc2)c1 22525594 WIHBQWVVUMRHJS-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 97378443 GLKORGBKYOZXPG-YJNKXOJESA-N 312.479 2.917 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCS[C@H]2COCC[C@H]21 95425920 PKAWFWXEEUARGN-SCZZXKLOSA-N 303.836 2.748 0 40 DFAB CC(C)CC(=O)Nc1nn2c(-c3ccccc3)nnc2s1 20902159 OIRGRCPKYFUWCT-UHFFFAOYSA-N 301.375 2.837 0 40 DFAB CN(CCC(F)(F)F)C(=O)/C=C/c1ccc(C(=O)O)cc1 95989930 FFTHFWBZASQBLT-QPJJXVBHSA-N 301.264 2.809 0 40 DFAB Cc1nccc(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)n1 95994900 UZAXBURHJSJYAL-NSHDSACASA-N 318.343 2.951 0 40 DFAB CC(C)Oc1ncccc1NC(=O)NCCc1cscn1 95971288 PBJYBOKXUSTZHD-UHFFFAOYSA-N 306.391 2.690 0 40 DFAB CN(CC1CC1)C(=O)[C@@H](c1ccccc1)N1CCSCC1 89340189 OBHFJZWCYRHJAX-MRXNPFEDSA-N 304.459 2.645 0 40 DFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCCCC1)C2=O 9950439 HCUNGRDDGIPXRN-CXAGYDPISA-N 307.438 2.567 0 40 DFAB CC[C@H](C(=O)OC)N(C(=O)c1cncc(C)c1)c1ccccc1 74950836 ATFKDCSOZNGWRU-MRXNPFEDSA-N 312.369 2.988 0 40 DFAB CS[C@@H](C)CC(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 89894560 UYHWKSRHODSKFY-STQMWFEESA-N 309.431 2.718 0 40 DFAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@](C)(c2ccccc2)C1 75611615 XZDDNJUWHIAYOT-HNAYVOBHSA-N 324.428 2.857 0 40 DFAB O=C(Nc1ccc(NC(=O)c2ccc[nH]2)cn1)c1ccccc1 76041684 ZDESAIKJYOEYOW-UHFFFAOYSA-N 306.325 2.914 0 40 DFAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cnc[nH]2)cc1 76067445 YPLUNWHIJKWLNT-MRXNPFEDSA-N 313.401 2.582 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 20372445 WMJGTHURQDNLEI-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1ccccc1 67889928 LITOJBLZCMOJRV-PBHICJAKSA-N 300.402 2.914 0 40 DFAB biogenic,in-vitro C[C@@H]1C[C@H](OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)CC(C)(C)C1 33526500 NXZJLWYLJHLXEE-NRKLIOEPSA-N 313.482 2.688 0 40 DFAB O=C(Nc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CC2 1322133 NDFNCEOIBXQIPI-UHFFFAOYSA-N 306.321 2.516 0 40 DFAB biogenic Cc1cc(NC(=O)N[C@H](C)[C@H](C)CO)ccc1N1CCCC1 77673038 IZPCARBHWXEGOG-ZIAGYGMSSA-N 305.422 2.734 0 40 DFAB O=C(NC[C@@]1(O)CCCc2ccccc21)[C@H]1CC1(Cl)Cl 75213239 QNJXIJXCESWBSO-OCCSQVGLSA-N 314.212 2.521 0 40 DFAB Cc1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203145 CCFXDIXHLVTCIV-UHFFFAOYSA-N 307.394 2.811 0 40 DFAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]2O 123370225 WARJRVLSUJRZKT-AFEXIBKFSA-N 306.446 2.930 0 40 DFAB O=C1CC[C@H](c2nc(-c3ccccn3)no2)N1Cc1ccco1 72242484 MZFAGRADIJJVKV-CYBMUJFWSA-N 310.313 2.588 0 40 DFAB CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC(C(F)(F)F)(C1)C2 219779751 JMKZOZYBIOGWBH-JOYHGCSISA-N 309.284 2.697 0 40 DFAB O=C(Nc1cccnc1)N(CCO)[C@@H]1CCCc2ccccc21 79358735 KCYVGMNCKJOJIE-QGZVFWFLSA-N 311.385 2.985 0 40 DFAB CCOC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)n[nH]c1C 79495080 UNSQVPHDCLOCSR-ZDUSSCGKSA-N 304.346 2.517 0 40 DFAB O=C(NCc1ccc(F)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 40088060 LHRQXDLFVQMLGV-MRXNPFEDSA-N 316.307 2.774 0 40 DFAB CO[C@H]1C[C@H](NC(=O)Cc2nsc3ccccc23)C12CCC2 564862157 GYVJQNPGEOBCEG-GJZGRUSLSA-N 316.426 2.913 0 40 DFAB Cc1ccnc(NC(=O)COc2ccn(-c3ccccc3)n2)c1 226853296 CYQAENQOFYFRAG-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB O=C(Cc1ccc2c(c1)CCCC2)NCC(=O)Nc1ccccc1 47898303 CJVFYGMNEKPNAZ-UHFFFAOYSA-N 322.408 2.863 0 40 DFAB CCN(CCCN1CCCC1)C(=O)N[C@@H]1COc2ccccc21 190146445 GLTDLMYVHJKTIR-MRXNPFEDSA-N 317.433 2.638 0 40 DFAB C[C@@H]1CCCN(c2ncc3c(n2)CN(Cc2ccccc2)C3=O)C1 46088030 DYXCEAAUBHVHER-CQSZACIVSA-N 322.412 2.869 0 40 DFAB CN(C)C(=O)c1cccc(CSC[C@@H](O)C(F)(F)F)c1 191115507 MMTHZZQCEDKOOO-LLVKDONJSA-N 307.337 2.545 0 40 DFAB CN1CCN(C(=O)c2cc3occc3n2Cc2ccccc2)CC1 40284649 CUVPBJKFZNFEST-UHFFFAOYSA-N 323.396 2.670 0 40 DFAB CC[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nc(C)n[nH]1 81859911 KAEJTJRZCYYSCA-ZIAGYGMSSA-N 316.430 2.711 0 40 DFAB CC[S@@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccs2)C1 195535170 UEICVSPOHCMFKA-JNHSQIPHSA-N 314.476 2.627 0 40 DFAB CCC(CC)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 96408266 GSDNFUCPXITVMD-NRFANRHFSA-N 311.447 2.956 0 40 DFAB CC(C)n1nccc1NS(=O)(=O)c1cccc2cccnc12 96433459 IYDOGBPWUMIHDL-UHFFFAOYSA-N 316.386 2.813 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)[nH]c2ccccc12 96495112 YZEXHRDPBZNEAF-CQSZACIVSA-N 323.400 2.895 0 40 DFAB CN(CCOCc1ccccc1)c1ccccc1S(C)(=O)=O 96462137 CUGIBHJHHJLEGX-UHFFFAOYSA-N 319.426 2.743 0 40 DFAB CN1CCC[C@@H](CN(C)C(=O)Nc2cc(C(C)(C)C)on2)C1 96434598 SAJIRYGZVIUJDQ-GFCCVEGCSA-N 308.426 2.778 0 40 DFAB Cc1cccnc1[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)C(C)C 96424396 JTDTUBAGVGUVSA-HNNXBMFYSA-N 315.421 2.655 0 40 DFAB Cc1ccc(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)o1 96193026 XHKWULXNBXMXKK-KRWDZBQOSA-N 316.332 2.927 0 40 DFAB CC(C)(C)OC(=O)NC(=N)[C@@H]1CCCN1C(=O)OC(C)(C)C 98181736 MRWVGJSEZOLYPF-JTQLQIEISA-N 313.398 2.888 0 40 DFAB CN1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(F)c(F)c1 95449219 TXNZMHLCFBZKNL-GJZGRUSLSA-N 306.312 2.733 0 40 DFAB Cn1cnc2cc(NC(=O)c3n[nH]c4c3CCCCC4)ccc21 96231187 BQTKJYNAEDUJGC-UHFFFAOYSA-N 309.373 2.818 0 40 DFAB C[S@@](=O)C[C@@H](NC(=O)c1cccc(F)c1F)c1ccccc1 96445529 SJWISJDJOHKOLS-PEBXRYMYSA-N 323.364 2.814 0 40 DFAB CSC[C@](C)(O)CNC(=O)Nc1cccc(-n2cccc2)c1 96415912 SDNWSUZRINLOAO-MRXNPFEDSA-N 319.430 2.713 0 40 DFAB Cc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccco2)C1 96024244 DVGDQLUACIXHEV-CQSZACIVSA-N 304.371 2.699 0 40 DFAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCCCCC2)c1 25407642 LHLZSFYCFAWSME-CYBMUJFWSA-N 303.406 2.848 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@@H](c4nc(C)c[nH]4)C3)cn2c1 257214817 CNNOBDZDPZTERU-CQSZACIVSA-N 323.400 2.694 0 40 DFAB CC1(C)CN(C(=O)c2ocnc2C2CC2)C[C@H](C(F)(F)F)O1 293701890 LCPJOOCNEWGEFK-SECBINFHSA-N 318.295 2.734 0 40 DFAB C[C@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C[C@H]1C(=O)O 564978262 MAXKOTRAOQRORH-WCQYABFASA-N 318.373 2.586 0 40 DFAB COC(=O)c1cc2c(OCC(=O)NC(C)C)cccc2s1 585140523 GSKXUQWIRBOKSB-UHFFFAOYSA-N 307.371 2.591 0 40 DFAB c1ccc(O[C@@H]2CCOC3(C2)CN(Cc2cccs2)C3)nc1 585104400 HXFVIOOUIDBFQF-CQSZACIVSA-N 316.426 2.956 0 40 DFAB O=C1CC[C@]2(CCCN(C(=O)c3ccc4ncccc4c3)C2)O1 585282483 DVQOSZSPZAKRLG-SFHVURJKSA-N 310.353 2.547 0 40 DFAB CC(=O)N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 31083551 GKXOQLSBXFIELW-UHFFFAOYSA-N 319.792 2.659 0 40 DFAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1 69779452 ARUJKSOHMVIMQF-SECBINFHSA-N 313.279 2.845 0 40 DFAB O=C(CN1CCCc2ccccc21)NCCc1cccs1 32751259 QAZYVEIEIDDIGH-UHFFFAOYSA-N 300.427 2.860 0 40 DFAB CN(Cc1ccco1)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 48373961 MJJGSDZAZPOMOP-AWEZNQCLSA-N 304.394 2.732 0 40 DFAB O=C(O)CCNC(=O)CCCSc1ccc(Cl)cc1 37411785 URNNWEZSRDRCDW-UHFFFAOYSA-N 301.795 2.803 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCSCC1 58411689 UKWVOSRJKSEZFV-ZYHUDNBSSA-N 322.405 2.609 0 40 DFAB Cc1nc(C2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CCCC2)no1 84280646 DBIFVTYWLMTJKE-VXGBXAGGSA-N 301.346 2.660 0 40 DFAB Cc1ccc2nc(SCCCn3ccnc3)n(C)c(=O)c2c1 97375564 MDQBRCXCSUBXCS-UHFFFAOYSA-N 314.414 2.621 0 40 DFAB O=C(c1csc(Br)c1)N1CC[C@@]2(CCOC2)C1 89764650 FSYZNEXFDPMALO-GFCCVEGCSA-N 316.220 2.763 0 40 DFAB O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccccc1 90166868 XVHWGDPLPXPDTM-UHFFFAOYSA-N 302.277 2.901 0 40 DFAB COC[C@@](C)(CCO)NCc1ccc(C)cc1Br 95973541 RNAVWYVMWJSCJA-CQSZACIVSA-N 316.239 2.635 0 40 DFAB O=C(Nc1ccc(Br)c(F)c1)N1CCC[C@H](O)C1 96435426 KBYBYBFKWUJUGJ-VIFPVBQESA-N 317.158 2.577 0 40 DFAB C[C@@H]1C[C@H](NC(=O)c2ccncc2F)CN1Cc1ccccc1 96466342 SOXLRACLNPOLBL-HIFRSBDPSA-N 313.376 2.614 0 40 DFAB CCC(C)(C)NS(=O)(=O)c1ccccc1Br 7376779 HKTYWPXRANAYFN-UHFFFAOYSA-N 306.225 2.916 0 40 DFAB OCc1ccc(I)cc1C(F)(F)F 114412975 OQBXOWSSTLCCGY-UHFFFAOYSA-N 302.033 2.802 0 40 DFAB in-vitro COc1ccc(OC)c(CC(=O)NCc2ccccc2OC)c1 5243539 QUIRDDKGAPVHDM-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 5439851 XCHGIUHRHQNYAO-UHFFFAOYSA-N 324.336 2.794 0 40 DFAB Cn1c(=O)n(C)c2cc(CNC3(c4ccccc4)CC3)ccc21 12361878 XGSJBLHIISUUOG-UHFFFAOYSA-N 307.397 2.656 0 40 DFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2)cc1 19558144 WBUMITSKYQMOTM-SWLSCSKDSA-N 306.369 2.754 0 40 DFAB COCCOc1ccccc1C(=O)Nc1cc(N)ccc1C 19736134 KPNRDRWRDCTPSC-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB Cc1ccc(CN(C)C(=O)Cc2ccc(-n3cccn3)cc2)o1 36396268 VIGAHXNNKRJLIK-UHFFFAOYSA-N 309.369 2.975 0 40 DFAB COc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1 1888854206 JTDFBQAUVFNJQZ-UHFFFAOYSA-N 313.357 2.632 0 40 DFAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=N)O)N2C1=O 424876 FFWCIJWHFOZZCJ-GFCCVEGCSA-N 316.386 2.570 0 40 DFAB O=C(Cc1cccs1)N[C@@H](c1cccnc1)C1CCOCC1 225617109 RBULOGWBPFXXQS-QGZVFWFLSA-N 316.426 2.970 0 40 DFAB CS[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 295683470 IKSCBRALUZWNGL-LBPRGKRZSA-N 305.852 2.607 0 40 DFAB O=C([C@H]1CCCN(Cc2ccccn2)C1)N1CCC(F)(F)CC1 2298187955 WOCKFMVFFJPGHD-AWEZNQCLSA-N 323.387 2.551 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)/C=C/c3cccnc3)cn2)n1 40090339 JZGZUEKYNRHTKG-VMPITWQZSA-N 319.368 2.931 0 40 DFAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(C)s2)c1 31339355 BDPUYSVDWNKSFS-ZDUSSCGKSA-N 321.398 2.537 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1ccccc1F)CC(C)C 31705885 FXKNLFFSYPNSGN-LBPRGKRZSA-N 310.369 2.716 0 40 DFAB CC(C)N1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 20549619 UMTDZDMCBRMVOP-CYBMUJFWSA-N 308.397 2.582 0 40 DFAB Cc1cc(NC(=O)CCSc2nnc(-c3ccco3)o2)no1 32750983 QOJKBCBHXGQRRR-UHFFFAOYSA-N 320.330 2.747 0 40 DFAB Cc1cc(N)nc(SCC(=O)N(C2=CCCCC2)C2CC2)n1 32724119 FAODXCJRZZJKPI-UHFFFAOYSA-N 318.446 2.908 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 32912596 FOCPVZYLFBLDOY-OAHLLOKOSA-N 304.321 2.689 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc[nH]c2=O)C2CC2)o1 52775359 JYHTWVGHXOGMBX-ABAIWWIYSA-N 312.369 2.896 0 40 DFAB COC(=O)c1cccc(NCC(=O)Nc2cccc(OC)c2)c1 52896136 YJDOIJZLIOUTAV-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB Cc1cccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)c1 47247072 FSXOQVJFKQUILC-UHFFFAOYSA-N 315.417 2.765 0 40 DFAB O=C(c1sccc1Br)N1CCO[C@H]2CCC[C@@H]21 53385279 JCFKXVVFVNIORL-UWVGGRQHSA-N 316.220 2.904 0 40 DFAB O=C([C@@H]1CCOc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 78743500 SZRPTCUJWUJNRB-DZGCQCFKSA-N 311.385 2.682 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)[C@@H](c1ccccc1)N(C)C=O 1593564 WUJUCFWTAHVUMR-QZTJIDSGSA-N 310.397 2.688 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)O)c2ccccc2)cc1 1700935 DZDFIJWINSXUET-HNNXBMFYSA-N 304.367 2.985 0 40 DFAB C[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccs1 78992947 ZFSAGWQFIKIAJM-CABZTGNLSA-N 322.352 2.560 0 40 DFAB COCc1nnc(NC(=O)Cn2ccc3c(C)cccc32)s1 61718158 VSKSDPYEKGFFQM-UHFFFAOYSA-N 316.386 2.586 0 40 DFAB C1CCC2(CC1)O[C@H]1CO[C@H]3OC4(CCCCC4)O[C@@H]3[C@@H]1O2 4712902 MNXYIFLXTZJYIW-YJNKXOJESA-N 310.390 2.863 0 40 DFAB C=CCOc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1 6588256 JELVITSLEWKZIE-LCYFTJDESA-N 317.370 2.896 0 40 DFAB CCN1CCC(NC[C@H](O)COc2ccccc2C(C)C)CC1 6834823 VKSVGJLUHRQJME-KRWDZBQOSA-N 320.477 2.624 0 40 DFAB COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1OC 7603572 AVONTLAMNFBAAH-GHXNOFRVSA-N 322.342 2.613 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(Cl)cc1 8221996 ACSDIQUQWWAVGW-RISCZKNCSA-N 308.809 2.651 0 40 DFAB O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CCCC2 3223836 QELSJLQKTGXHEJ-UHFFFAOYSA-N 318.427 2.912 0 40 DFAB CC(C)CNc1ccccc1C(=O)N1CCC(C(=O)O)CC1 55342075 DTESIHHTIVIDQY-UHFFFAOYSA-N 304.390 2.691 0 40 DFAB CN(C)c1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 9188138 LHQNUEYFMUXSAU-UHFFFAOYSA-N 314.410 2.947 0 40 DFAB Cc1noc([C@H]2CCCN(C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)n1 106865132 ZYOFLZGKPLBRQS-XDQVBPFNSA-N 320.462 2.621 0 40 DFAB COc1cccc2cc(C(=O)Nc3cccc(O)c3)c(=O)oc12 1463243 TWASXWAHTDZWGN-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB CCCNC(=O)c1ccc(NC(=O)c2cc(C)n[nH]2)cc1Cl 56150872 JXZYTIRZFKVLPU-UHFFFAOYSA-N 320.780 2.764 0 40 DFAB COC(=O)[C@]1(F)CCN([C@H](C)Cc2nc3ccccc3s2)C1 107511056 RYPFOSUGWIYPOI-BZNIZROVSA-N 322.405 2.814 0 40 DFAB CC(C)[C@H](C(=O)N[C@@H](C)C1CC1)N1CCc2ccccc2C1 48290705 SDPVAZFLPDCUBI-KBXCAEBGSA-N 300.446 2.984 0 40 DFAB CC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 48286778 PHFFZVJPIGFCCE-UHFFFAOYSA-N 302.399 2.514 0 40 DFAB C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(F)c(F)c1 12747186 KTZPBKBXWZIIHC-JTQLQIEISA-N 322.311 2.555 0 40 DFAB CN(C)C(=O)C1CCN(Cc2cc(-c3ccccc3)no2)CC1 27231144 IWHAJWBSALULGZ-UHFFFAOYSA-N 313.401 2.642 0 40 DFAB CCNC(=O)[C@H](C)NC(=O)Nc1ccc(Cl)c(Cl)c1 12782274 JIBVGEIEHHBBPE-ZETCQYMHSA-N 304.177 2.640 0 40 DFAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCc2ccccc21 3371795 DWWDWWQVAVSXPZ-UHFFFAOYSA-N 321.332 2.761 0 40 DFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1 44889266 WWDNKSSPLGMCCW-AWEZNQCLSA-N 317.414 2.927 0 40 DFAB CCn1ccnc1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 58297242 YKVVVSBRBDNXMI-AWEZNQCLSA-N 310.405 2.677 0 40 DFAB C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccccc1 107152033 ZRKBBXKFZYUUTD-CYBMUJFWSA-N 322.368 2.942 0 40 DFAB CC[C@@](C)(NC(=O)CCc1nc2ccccc2s1)C(=O)OC 58316107 OGBBVSOPUWAMTM-MRXNPFEDSA-N 320.414 2.687 0 40 DFAB C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)[C@@H]1CCCO1 27908107 WBROPWHKNXLVOE-HZMBPMFUSA-N 304.321 2.778 0 40 DFAB C[C@H](O)c1ccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)cc1 58407669 XHIHNRAFXLYIOH-ZANVPECISA-N 302.201 2.940 0 40 DFAB CCO[C@H]1C[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 69899846 LVTXAPLVLWRYGN-YOEHRIQHSA-N 317.433 2.556 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](n2ccnc2)C1 69819764 UQOBHPFKESZQHK-GFCCVEGCSA-N 322.796 2.629 0 40 DFAB Cc1csc2nc(CN(C)Cc3ccc(F)cc3)cc(=O)n12 8749613 KLCVECMIIPJQAS-UHFFFAOYSA-N 317.389 2.836 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1C1CCCC1 5090168 KWWDHUXKQCZBAR-LLVKDONJSA-N 324.450 2.551 0 40 DFAB COCCn1c(C)cc(C2=NN=C(NC(C)(C)C)SC2)c1C 6114006 IIZDLICLSWQVBJ-UHFFFAOYSA-N 322.478 2.946 0 40 DFAB CC[C@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 65585678 NRTGEJCQXUQZFM-KBPBESRZSA-N 305.422 2.619 0 40 DFAB C[C@H]1CCCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1 65516612 AQRFFRWOKPNDKF-HNNXBMFYSA-N 320.481 2.880 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)CNC(=O)C1CCCCC1 6561064 SFFNHHPOGUYSFA-ZDUSSCGKSA-N 318.417 2.569 0 40 DFAB COC(=O)c1cccc(Cn2cnc3sc(C)cc3c2=O)c1 5550516 PPXZLQCBTFGGBI-UHFFFAOYSA-N 314.366 2.601 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@H]1COc2ccccc2O1 6790212 LPXYGXNLFLTEKP-ZDUSSCGKSA-N 317.772 2.839 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc21 9486827 HKAAXSLFXBHWDG-INIZCTEOSA-N 324.380 2.543 0 40 DFAB O=C(Nc1ccccc1O)[C@@H]1CCCN1C(=O)Cc1ccccc1 67839781 RCQWKONKELPETM-INIZCTEOSA-N 324.380 2.564 0 40 DFAB CCNC(=S)/C(=C(\O)c1ccc(OC)cc1)[n+]1ccccc1 15879412 RUIYQVGIXJPDSR-UHFFFAOYSA-O 315.418 2.803 0 40 DFAB Cc1c(NC(=O)CC(C)(C)C)c(=O)n(-c2ccccc2)n1C 7598544 BPJYKSFDZKEUBV-UHFFFAOYSA-N 301.390 2.859 0 40 DFAB COc1ccc(-c2noc(COC(=O)c3ccoc3)n2)cc1 16158587 ZKUZDTZUPGTKDG-UHFFFAOYSA-N 300.270 2.695 0 40 DFAB COC(=O)[C@](C)(NC(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 81421054 NLQQOLRSDDRXIQ-OAHLLOKOSA-N 320.370 2.562 0 40 DFAB CCCc1c(OC(=O)c2ccccc2)nc2n(c1=O)CCS2 9419141 ZOTLEIDBJULKRB-UHFFFAOYSA-N 316.382 2.521 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)CCNC(=O)C2CCC2)c1 69367463 ROHDEHKSDUERKC-UHFFFAOYSA-N 318.417 2.935 0 40 DFAB COc1ccc(CCNC(=N)NCCCOC2CCCC2)cc1 69350392 NTSCCBZHHQFGOB-UHFFFAOYSA-N 319.449 2.701 0 40 DFAB Cc1cnc(S(=O)(=O)Cc2c(F)cccc2Cl)nc1 91576275 CYKDQPZCQXJJSA-UHFFFAOYSA-N 300.742 2.551 0 40 DFAB C[C@H](NCc1nccn1Cc1ccccc1)[C@@H](C)n1cccn1 69655984 IKGJPJCTAKBWJO-JKSUJKDBSA-N 309.417 2.867 0 40 DFAB Cn1c(CNC(=O)c2cccnc2Cl)nc2cc(F)ccc21 95394920 OXEOPBNSSBOZOK-UHFFFAOYSA-N 318.739 2.691 0 40 DFAB Cc1cc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 93920068 ZIXNCPKCFSSLKH-IAQYHMDHSA-N 318.446 2.555 0 40 DFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OC1(C2CC2)CC1 83770413 CRVQVEGCISRRTF-ZDUSSCGKSA-N 303.383 2.975 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)c2cnc(C(C)C)s2)n1 95430958 LUWMRCFDXUBVCQ-SECBINFHSA-N 324.406 2.677 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)N2CCC3(CC2)OCCO3)c1 71885977 CDWJRHPFFYLCRN-HNNXBMFYSA-N 318.417 2.913 0 40 DFAB Cc1cc(Cl)cc2c1N(C(=O)c1ccn(C)c(=O)c1)CCC2 71910402 DNCKHCJZUXECEL-UHFFFAOYSA-N 316.788 2.940 0 40 DFAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)c2ccncc2)cn1 95402219 MTMPPIYMYZWFLH-YSVLISHTSA-N 300.406 2.726 0 40 DFAB C[C@H]1CCC[C@@H](C)CN1C(=O)NCc1nnc2n1CCCCC2 95404459 VHGGNCQMMBMYHA-KGLIPLIRSA-N 319.453 2.725 0 40 DFAB Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc2c(c1)OCCO2 9862547 BKPWWNXNZSHAIK-NSHDSACASA-N 301.390 2.659 0 40 DFAB COCc1noc([C@H](C)Sc2nc(-c3cccs3)n[nH]2)n1 97085316 ADPMYIZDSVCBLJ-ZETCQYMHSA-N 323.403 2.916 0 40 DFAB CC(=O)N[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 97081593 SSGFNFXXEUZDMY-XPTSAGLGSA-N 314.788 2.817 0 40 DFAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C2CCCC2)[nH]n1 72288744 SXJOEXYUMYQZGI-CQSZACIVSA-N 318.421 2.797 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)NCc1sccc1C 72281205 PGMGWVUAPXAWNQ-CQSZACIVSA-N 304.415 2.898 0 40 DFAB Cc1cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C2CC2)c(C)s1 73736624 MNDNBEDDCAIPEG-NHYWBVRUSA-N 320.458 2.943 0 40 DFAB Cc1c(Br)cccc1C(=O)N(C)C1CCNCC1 88441924 JSATWUTXCMUACX-UHFFFAOYSA-N 311.223 2.582 0 40 DFAB O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCOc2ccncc21 75105470 WWDWNASWVUFPPE-WDEREUQCSA-N 316.307 2.889 0 40 DFAB CC(C)c1nc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cs1 89893559 ADDHRXIGKLMTAH-DOMZBBRYSA-N 320.462 2.867 0 40 DFAB CC(C)c1nc([C@H]2CCCN2Cc2nnc(C3CC3)o2)no1 75581758 CFKGGEVTCULWFS-LLVKDONJSA-N 303.366 2.791 0 40 DFAB Cc1nn(C)c(C)c1C(=O)OC[C@H]1CCN(c2ccccc2)C1 76090871 KSZGZZSBKWSPRL-HNNXBMFYSA-N 313.401 2.720 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)NCCCn2cc(C)cn2)C1 76086729 ZZZYPNCCTKJDGX-ZIAGYGMSSA-N 310.467 2.555 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cnccn2)cc1 76068514 VLDORUFXIGDIEC-DOTOQJQBSA-N 311.385 2.683 0 40 DFAB CCCN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O 409230461 DPTNEMADLOFJBE-WEVVVXLNSA-N 315.192 2.813 0 40 DFAB Fc1cc(Br)c(I)cn1 306823823 RRHBZNUCHJSJCA-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB COC(=O)c1ccc(CNC(=O)CSC(C)(C)C)s1 521394847 CVIQLAAEPZETGV-UHFFFAOYSA-N 301.433 2.683 0 40 DFAB C[C@@H](CNC(=O)CSCc1ccncc1)Oc1ccccc1 79103644 LDUSADNSGDRQCN-AWEZNQCLSA-N 316.426 2.899 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cnn(C)c2-n2cccc2)c1 30859187 KXISFJNWXUVLTJ-UHFFFAOYSA-N 308.341 2.666 0 40 DFAB O=C(NCc1cccs1)NC[C@](O)(c1cccs1)C1CC1 75155347 GWYBXTKOVXMHPM-OAHLLOKOSA-N 322.455 2.907 0 40 DFAB Cc1nn(CC(=O)C(C)(C)C)c(=O)c2cc3sccc3n12 72334621 TUEBGRQFCLNERK-UHFFFAOYSA-N 303.387 2.634 0 40 DFAB Cn1cnc(-c2cc(I)ccc2Cl)n1 2362801325 FGBAVJVHXAWMEZ-UHFFFAOYSA-N 319.533 2.740 0 40 DFAB CCN1CCN(c2ncc(-c3cc(C)no3)c(C(C)C)n2)CC1 72341119 KINVTSPRGOCTNH-UHFFFAOYSA-N 315.421 2.705 0 40 DFAB Cc1cc(NC(=O)[C@H](C)SCCC(=O)OC(C)(C)C)on1 225642275 RRRMURIFDBXSQF-JTQLQIEISA-N 314.407 2.775 0 40 DFAB CC(C)C(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485702 NMMSJDLZPJDYFO-ZDUSSCGKSA-N 306.337 2.539 0 40 DFAB biogenic,in-vitro Cc1nnc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)s1 225603900 FHTFFXWQVVHZJH-LBPRGKRZSA-N 323.491 2.570 0 40 DFAB O=C(Cc1ccsc1)N1CC[C@](C(=O)O)(c2ccccc2)C1 570573518 RIMAGKXYZIDCAF-QGZVFWFLSA-N 315.394 2.546 0 40 DFAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COC(C)C 224422902 PLQNRVNOYPEVIZ-HNNXBMFYSA-N 307.390 2.529 0 40 DFAB CC(C)(C)NC(=S)Nc1nc(Cl)cc(N2CCCC2)n1 225896616 ABJIVOSTCGOHQX-UHFFFAOYSA-N 313.858 2.815 0 40 DFAB O=C(NC[C@H]1CC[C@H](O)C1)NC1CCC(C(F)(F)F)CC1 195578225 FAHDQYPIMQIJRZ-XKGSQUFQSA-N 308.344 2.568 0 40 DFAB C[C@H]1c2c(F)cccc2CCN1C(=O)CCOCC(F)F 195579802 CJMJJPFZXVPYHE-JTQLQIEISA-N 301.308 2.943 0 40 DFAB c1cc(CN2CCc3c(COCC4CC4)cncc3C2)ccn1 96059310 GCSQMEBYOQZQDL-UHFFFAOYSA-N 309.413 2.962 0 40 DFAB CCCCc1nc(CN2CCC3(CC2)OCCC[C@@H]3OC)c[nH]1 95386727 GDYWVOVQZPFHRF-INIZCTEOSA-N 321.465 2.912 0 40 DFAB CCOC(=O)N1CCC(N[C@@H]2CCO[C@H]2c2ccccc2)CC1 96494310 ULLAQURMYMVEQO-SJORKVTESA-N 318.417 2.727 0 40 DFAB Cc1cnc(NC(=O)NCCOc2ncccc2Cl)s1 96472319 IUKUKTDBKJWWBH-UHFFFAOYSA-N 312.782 2.700 0 40 DFAB O=C(CCCNC(=O)c1ccc2[nH]cnc2c1)OC1CCCC1 95395290 HMUDLZMDWNDLSE-UHFFFAOYSA-N 315.373 2.559 0 40 DFAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccco3)n2)ccc1OC 95534359 BGFBETVVEDUGJD-CQSZACIVSA-N 314.345 2.520 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@@H](c1cnn(C)c1)N(C)C 96477903 LTANNJCWTFQUNI-PBHICJAKSA-N 316.449 2.691 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)c1 96229688 SCRCLFHYWVFYAU-LJQANCHMSA-N 314.429 2.921 0 40 DFAB O=C(c1ccco1)N1CCC2(CC1)CN(c1ccccc1)C2=O 96202917 LLLUDFSCZSZOGA-UHFFFAOYSA-N 310.353 2.549 0 40 DFAB CO[C@H](C(=O)N1CCCC[C@H]1c1ncon1)c1ccccc1 96500436 PESVQYKCJVGFOH-KBPBESRZSA-N 301.346 2.511 0 40 DFAB Cc1ccc2cnn(CCC(=O)Nc3nnc(C)s3)c2c1 96180997 RNMBMMLXXFLRDK-UHFFFAOYSA-N 301.375 2.533 0 40 DFAB COC(=O)CN(C(=O)c1ccc(Cl)cn1)c1cccc(F)c1 96451628 CJOHVQRTOHALSX-UHFFFAOYSA-N 322.723 2.694 0 40 DFAB O=C(C1CC=CC1)N1CCc2c(COCC3CC3)cncc2C1 247961003 XMJRUWPGDGUYCX-UHFFFAOYSA-N 312.413 2.859 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@H](c4ccn[nH]4)C3)c2c1 257239327 HOUHVQQHCJSETG-NSHDSACASA-N 310.357 2.529 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)C3(N)CCCC3)CC2)s1 257316882 VHKFCBJHPKLIRG-UHFFFAOYSA-N 307.463 2.603 0 40 DFAB CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@H]2CCCN(C)C2)CC1 252536925 JUOPBAQLZQBKFK-GBESFXJTSA-N 305.510 2.691 0 40 DFAB Cc1cn2c([C@H]3CCCN3C(=O)Cc3ccccn3)cccc2n1 257252738 JVZBEBSOLYGILD-MRXNPFEDSA-N 320.396 2.944 0 40 DFAB COc1nc(C)cc(C)c1COc1ccc2c(c1)CCNC2=O 351875750 GDTCJHGXYZJZII-UHFFFAOYSA-N 312.369 2.572 0 40 DFAB O=C(COCc1ccccc1)c1ccc(N2CCOCC2)cc1 382676315 SKDCOOGTKKRZFG-UHFFFAOYSA-N 311.381 2.923 0 40 DFAB Cc1nc(-c2ccc(OCc3ccc(C(N)=O)cc3)cc2)no1 54887949 OQGMYIQAFDJIRW-UHFFFAOYSA-N 309.325 2.723 0 40 DFAB CCn1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 558525 MJRRIVZZXNJUOA-GQCTYLIASA-N 312.160 2.652 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 5423103 JHEMJOKVSLWIHQ-UHFFFAOYSA-N 307.419 2.961 0 40 DFAB Cc1cc(CN(C)Cc2c(C)nc3ccc(Cl)cn23)n[nH]1 19658710 HGULAJJPMOMNQN-UHFFFAOYSA-N 303.797 2.960 0 40 DFAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C)c1C(C)=O 19811734 NJWBRGGSEWWRBL-UHFFFAOYSA-N 302.330 2.569 0 40 DFAB COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19942895 BTWHNJPXTWDLHV-BETUJISGSA-N 311.447 2.979 0 40 DFAB C[C@@H](N)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 158195877 OKLIYDYBUOBKHR-SNVBAGLBSA-N 300.324 2.759 0 40 DFAB CC(C)Cc1cc(CNC(=O)[C@@H](C)n2cc(Cl)cn2)on1 19447497 FYOAMTSSRRAWGO-SNVBAGLBSA-N 310.785 2.600 0 40 DFAB O=C(OC[C@@H]1COc2ccccc2O1)c1c(F)cccc1F 3181318 FQPWRGVIEHNQDQ-JTQLQIEISA-N 306.264 2.962 0 40 DFAB CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 3354241 BQQGDSBHPFKTNO-UHFFFAOYSA-N 311.168 2.995 0 40 DFAB O=C(OCCCOC(=O)c1cccc(O)c1)c1cccc(O)c1 5109136 OGUOTIMWCMDLRC-UHFFFAOYSA-N 316.309 2.502 0 40 DFAB Cc1cc(Cl)cc2sc(N3CCC(C(N)=O)CC3)nc12 1888903723 CSWZEWIWXOEARP-UHFFFAOYSA-N 309.822 2.960 0 40 DFAB O=C(C1CCN(c2nccs2)CC1)N1CCC(F)(F)CC1 1889096226 IYUSAFGLZZNUAL-UHFFFAOYSA-N 315.389 2.617 0 40 DFAB COc1cccc(N2CCN(c3ccnc(SC)n3)CC2)c1 1889119565 GVCAQFUXDWDZDR-UHFFFAOYSA-N 316.430 2.534 0 40 DFAB C[C@H](NC(=O)CN1CCO[C@H](C)C1)c1ccc2ccccc2c1 24097327 YGFDZIMIYUYXIH-CABCVRRESA-N 312.413 2.738 0 40 DFAB Cc1cccc(NC(=S)NNC(=S)NC2CCCCC2)c1 1440031 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57986269 JPDFPKVRBASIIM-UHFFFAOYSA-N 302.399 2.743 0 40 DFAB CCc1nnsc1C(=O)NC[C@H](c1ccco1)N(CC)CC 58278481 USNGSCNHTSFOSM-GFCCVEGCSA-N 322.434 2.506 0 40 DFAB c1ccc(-c2nnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 58218743 SDDBAYQPZMLPFQ-UHFFFAOYSA-N 309.373 2.839 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(C)cc2)cc1 20484255 CJMYSYSXOFMNLY-UHFFFAOYSA-N 319.382 2.724 0 40 DFAB c1ccc([C@@H]2CN(Cc3nc(-c4ccccn4)no3)CCO2)cc1 44975239 NYFYUCFLNVDUAQ-INIZCTEOSA-N 322.368 2.705 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1 3392341 SHIHXGJDJYRWEC-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB CN(C)c1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1 11752773 XDTPPLXWOMSMCS-UHFFFAOYSA-N 322.412 2.992 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1Cl 12946627 YNUTVOAAIABNBS-QWRGUYRKSA-N 309.749 2.954 0 40 DFAB O=c1cc(NCCc2c[nH]c3ccccc23)nc2ccccn12 12906962 UHXJMWOXIVROPS-UHFFFAOYSA-N 304.353 2.830 0 40 DFAB Cc1noc(C)c1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 9115344 ZUPYYYYMDJNSGM-UHFFFAOYSA-N 324.340 2.508 0 40 DFAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2ccco2)cc1 13717353 QOTIXCXIDFJYSC-UHFFFAOYSA-N 300.358 2.989 0 40 DFAB O=C1O[C@H](C(=O)Nc2nccs2)Cc2cc(Cl)ccc21 5205951 DOVGEAIJWDPNJJ-JTQLQIEISA-N 308.746 2.517 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCC(c2cnn(C)c2)CC1 65513565 KGFPVYHWMJWYRO-LLVKDONJSA-N 301.394 2.621 0 40 DFAB O=C(NCc1cccc2c1OCCO2)Nc1ccccc1F 65528818 GDNPMIBTXWASIE-UHFFFAOYSA-N 302.305 2.919 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1 96008744 LMTYNNVPXMOSRI-HZPDHXFCSA-N 322.474 2.783 0 40 DFAB Cc1ncccc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96010201 IJNMHIYDAFKPHW-AWEZNQCLSA-N 305.422 2.737 0 40 DFAB CCOc1ccc(-c2cnnn2-c2nonc2-n2cccc2)cc1 4744787 LSLRZBNJQYUOPW-UHFFFAOYSA-N 322.328 2.507 0 40 DFAB Cc1ccc(COc2ccc(/C=C3\NC(=O)NC3=O)cc2)cc1 4704627 LDHGOVHMVVGXTK-YBEGLDIGSA-N 308.337 2.754 0 40 DFAB Cc1ccccc1NC(=O)CCc1c(C)nc2ncnn2c1C 6772671 GGHXYOOLLMQAIJ-UHFFFAOYSA-N 309.373 2.621 0 40 DFAB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2s1 66657479 RLAXJBKDVDGFJK-NSHDSACASA-N 320.439 2.505 0 40 DFAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(F)c(F)c1F 4804870 NOWJNZRMAWNECB-SSDOTTSWSA-N 315.320 2.957 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95407649 XBNHUGGRMPFNGY-CYBMUJFWSA-N 319.453 2.580 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 7216374 OROVGORQFWCWRJ-OAHLLOKOSA-N 300.358 2.864 0 40 DFAB Cc1cccn(CC(=O)N2CCC[C@@H]2c2cccs2)c1=O 96447924 SMLCHYFKRMCTAP-CYBMUJFWSA-N 302.399 2.582 0 40 DFAB CC(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 16643481 MKSWDTHKQRNPOG-UHFFFAOYSA-N 322.408 2.587 0 40 DFAB C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)[C@@H]1CCCO1 69201044 XVMFOFVUVFZQHJ-BBRMVZONSA-N 314.389 2.620 0 40 DFAB Cc1ccc(NC(=O)NCc2ccccc2-n2ccnc2)nc1 97107616 GIRQJPIYSMYURQ-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccccc2-n2cncn2)c1 69489281 JKMRWZNAJOHULU-HUUCEWRRSA-N 310.405 2.512 0 40 DFAB COCCOCC(=O)N1CC2(CCCC2)c2c(F)cccc21 69415124 ZAGNLTBUZBKRIY-UHFFFAOYSA-N 307.365 2.647 0 40 DFAB COc1ccc(OC[C@@H](O)CNCC(C)C)c(C(C)(C)C)c1 9585721 GWVRZYKUHXLRIF-AWEZNQCLSA-N 309.450 2.978 0 40 DFAB CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)n1 97108922 SVTOMISQQWVRNT-MELADBBJSA-N 313.467 2.554 0 40 DFAB O=S(=O)(NCc1nccs1)C1=Cc2ccccc2CC1 69532326 WBSBIYXVUSIMGQ-UHFFFAOYSA-N 306.412 2.550 0 40 DFAB CCn1cc(NC(=O)CNc2cc(Cl)ccc2OC)cn1 69569362 JOLQBLAQVRXDFB-UHFFFAOYSA-N 308.769 2.616 0 40 DFAB CCOc1ccccc1C[S@@](=O)[C@@H](C)C(=O)NC1CCCC1 69705700 GHTARARHWXACRR-XMHCIUCPSA-N 323.458 2.781 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Oc1ccccc1 69744516 WNMYCQQFVRJYJH-BBRMVZONSA-N 324.380 2.935 0 40 DFAB CN(Cc1ccc(F)cc1Cl)C(=O)COC[C@@H]1CCCO1 71886019 DMWLPSCQKKNXHU-ZDUSSCGKSA-N 315.772 2.633 0 40 DFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 8729249 RSRIAOQXXPYGMV-KRWDZBQOSA-N 322.364 2.521 0 40 DFAB O=C(COc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)n1 9609183 DJVRIRUVAXISMT-UHFFFAOYSA-N 312.304 2.628 0 40 DFAB C[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1 95421809 GHRBLEKLAZIABB-CABCVRRESA-N 310.438 2.689 0 40 DFAB COc1cc(NC(=O)CCn2ccnc2C)c(OC)cc1Cl 95974629 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95423724 NYFFRXAEEGCHGA-JSGCOSHPSA-N 307.413 2.735 0 40 DFAB O=C(C1=CCCC1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039941 OQAQYDGTARCWOL-PKOBYXMFSA-N 319.445 2.921 0 40 DFAB Cc1cccnc1CN1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257251068 JPGSKIJYXJUFEG-ARFHVFGLSA-N 309.417 2.503 0 40 DFAB O=C(c1nccc2ccccc12)N1CCO[C@H](c2ccncc2)C1 257230200 GBHADDFBXGORBQ-KRWDZBQOSA-N 319.364 2.844 0 40 DFAB CC1(c2nccs2)CCN(S(=O)(=O)c2ccccc2)CC1 257225949 FINDJJXWQJSWNT-UHFFFAOYSA-N 322.455 2.886 0 40 DFAB O[C@H](CCNc1ncc(Br)cn1)c1ccccc1 78519527 DNKAJUAYGGOOLB-GFCCVEGCSA-N 308.179 2.775 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 270778352 GRQRFKBKWHDBCA-HZPDHXFCSA-N 319.449 2.825 0 40 DFAB O=C(NCCc1csc(-n2cccn2)n1)Nc1cccs1 90703574 DYPLYCDDFSYABD-UHFFFAOYSA-N 319.415 2.755 0 40 DFAB C[C@H](CNC(=O)C(=O)NCCCc1ccccc1)c1ccccc1 298103618 LTLKIFXVXNNUFC-MRXNPFEDSA-N 324.424 2.655 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](N(C)CCCN(C)C)[C@H]2O)c1 585290019 ZCENKBIMRRAVQA-IPMKNSEASA-N 320.477 2.539 0 40 DFAB CC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 36091826 FQAOOZVCWFLXBX-OAHLLOKOSA-N 324.852 2.876 0 40 DFAB Cc1nc(NC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)sc1C 58363319 JTYZMGYZAMIXFL-QWHCGFSZSA-N 312.435 2.919 0 40 DFAB COCCSCC(=O)N[C@H]1CCSc2c(F)cccc21 75892683 POGCWCVITQBAKA-LBPRGKRZSA-N 315.435 2.858 0 40 DFAB Cc1ccc(CN(C)C(=O)CSc2nncn2C(C)C)cc1 39565369 PPNJUGFKFRMYLJ-UHFFFAOYSA-N 318.446 2.918 0 40 DFAB Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1)N1CCCC1 11845605 VLCFOSFSDICXAS-KRWDZBQOSA-N 315.392 2.731 0 40 DFAB COc1ccc2nc3c(cc2c1)CN(C1CCC1)C(=O)[C@H](C)O3 12115588 YMZBHSKUFCMKAN-NSHDSACASA-N 312.369 2.905 0 40 DFAB CCc1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1 12363586 PZPQJJDRAJZZDD-UHFFFAOYSA-N 315.392 2.662 0 40 DFAB CSc1nc(=O)[nH]c2c1nc(SC)n2-c1ccccc1 17289523 RFMHUMKZFUDVAH-UHFFFAOYSA-N 304.400 2.553 0 40 DFAB CCc1nc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccccc1 19523282 CKLKFKAHDSYJNE-ZBFHGGJFSA-N 319.412 2.949 0 40 DFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1 156362330 MGBPCKRDHVBDQM-ZDUSSCGKSA-N 324.852 2.955 0 40 DFAB Cn1cc([C@](C)(O)CNC2CC(c3ccc(Cl)cc3)C2)cn1 154222864 XXQBDDOEWTXBKT-QWFMPGPPSA-N 319.836 2.817 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(F)cn3)C2)nc1 286223603 HCCWIHLXNYYCEG-ZDUSSCGKSA-N 314.364 2.779 0 40 DFAB Cc1cc(C(F)(F)F)nn1COc1ccc(C(=O)O)cc1 2535513 AMOROGWISLWFDU-UHFFFAOYSA-N 300.236 2.945 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)OCc1ccc(Cl)cc1 583651280 IIMOQYQGKRWJET-JOYOIKCWSA-N 303.811 2.679 0 40 DFAB FC(F)(F)c1ccnc(N[C@@H]2CCN(C3CCOCC3)C2)c1 1889057265 DOTSQOAQOWWZPD-GFCCVEGCSA-N 315.339 2.766 0 40 DFAB Cc1csc(NC(=O)CN2CCC(C(F)(F)F)CC2)n1 72802153 LNFFGXWLBQMZTI-UHFFFAOYSA-N 307.341 2.664 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCCN([C@@H]2CCSC2)CC1 1565523687 UKOLAZMSDPJNCV-IWAYRVGRSA-N 316.470 2.740 0 40 DFAB CCc1cccc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)c1 4569899 JIKZCLGZBJXTFN-UHFFFAOYSA-N 324.355 2.749 0 40 DFAB O=C1CCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N1 9827772 SQMQGOHALFBPFU-UHFFFAOYSA-N 310.309 2.552 0 40 DFAB CCOc1ccc(C)cc1S(=O)(=O)NCc1ccsc1 13724988 KCNMAWDMCFPFCK-UHFFFAOYSA-N 311.428 2.934 0 40 DFAB COC(=O)CCC(=O)c1ccc(Br)c(OC)c1 575362234 PARCZILXBKYNET-UHFFFAOYSA-N 301.136 2.594 0 40 DFAB Clc1cnc(N2CCC[C@H](COc3nccs3)C2)nc1 2298182794 WSNXIKVXNSDMHE-JTQLQIEISA-N 310.810 2.882 0 40 DFAB CC(C)c1noc(CN2CCC[C@H](COc3nccs3)C2)n1 2298188670 IVLYAVCBNRYQQS-LBPRGKRZSA-N 322.434 2.941 0 40 DFAB CCc1ncnc(NCc2ccnc(-c3cnn(C)c3)c2)c1F 1170116222 QQPKQGAGQQAWEP-UHFFFAOYSA-N 312.352 2.586 0 40 DFAB c1ccc(-n2ncc3c(NCCc4cccs4)nnnc32)cc1 49029773 LLMGMRADEDTQPA-UHFFFAOYSA-N 322.397 2.927 0 40 DFAB O[C@H](CN1CCC(N2CCCC2)CC1)c1ccccc1Cl 51952973 PRTQWVBRNVYZBE-QGZVFWFLSA-N 308.853 2.934 0 40 DFAB Cc1cc2oc(=O)cc(CN(C)Cc3cnn(C)c3)c2cc1C 32539964 XTLRDUTXJSFPQO-UHFFFAOYSA-N 311.385 2.775 0 40 DFAB COc1ccccc1CC1CCN(C(=O)c2ccnn2C)CC1 102379051 RAUSVBDIGISLRC-UHFFFAOYSA-N 313.401 2.524 0 40 DFAB NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1Cl 481476 HECOKSRQEZLTGY-UHFFFAOYSA-N 318.185 2.779 0 40 DFAB Cc1ccc(OCC(=O)NCC(F)(F)F)c2c1[C@@H](C)CC2=O 22134754 HQKYBXWSNONGPG-VIFPVBQESA-N 315.291 2.742 0 40 DFAB CC(C)CN(C(=O)c1n[nH]c2ccccc12)C1CCN(C)CC1 53230857 UOOGBOAUZQUYGQ-UHFFFAOYSA-N 314.433 2.755 0 40 DFAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@H]1CCC(=O)[C@H]3C 1597208 KSWTVOIQZBRWIZ-HLFSEMCJSA-N 315.413 2.514 0 40 DFAB CCCCn1cnc2c(SCc3ccccn3)nc(N)nc21 1682633 VHEIWTMINSOXPF-UHFFFAOYSA-N 314.418 2.896 0 40 DFAB Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)cnn1C 2777600 SSFHWHXTCPAABW-UHFFFAOYSA-N 301.371 2.683 0 40 DFAB C[C@H](OC(=O)c1cccc(F)c1)C(=O)N1CCc2ccccc21 3544654 DPLZMZHZSBATHG-LBPRGKRZSA-N 313.328 2.960 0 40 DFAB CC(C)c1noc([C@@H](C)N2CCN(c3ccc(O)cc3)CC2)n1 23053576 OENBFFIPNFDTTQ-CYBMUJFWSA-N 316.405 2.782 0 40 DFAB COc1cc([C@H]2CC(=O)Nc3ccsc32)cc(OC)c1O 12418385 NMSWDUCNVXDUGI-SECBINFHSA-N 305.355 2.945 0 40 DFAB COc1ccc(OC)c(NC(=O)CCNC(=O)OC(C)(C)C)c1 6615279 HBKNQDUERYGMMB-UHFFFAOYSA-N 324.377 2.557 0 40 DFAB CCOC(=O)[C@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 105760658 RXJJMCKWQBBLKA-NEPJUHHUSA-N 309.410 2.703 0 40 DFAB C[C@@H]1C[C@H](NC(=O)c2cncc(F)c2)CCN1Cc1nnnn1C 97370634 KHUWYWKVMRUPDP-LBPRGKRZSA-N 333.371 0.527 0 40 DFAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc2c(c1)OCO2 12552359 BSKASTFSVDOILM-GFCCVEGCSA-N 312.369 2.972 0 40 DFAB C[C@@H]1CC[C@H](CC(=O)NCCCNC(=O)CCN(C)C)C1 97371213 DXUSYXOJXCHTMC-UHFFFAOYSA-N 297.443 1.387 0 40 DFAB O=C1CC[C@@H](C(=O)OCc2csc(-c3cccs3)n2)O1 84445009 FISKQFKYMBRROO-VIFPVBQESA-N 309.368 2.620 0 40 DFAB Cn1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1 25169513 NMQWCNMZZRRNBO-UHFFFAOYSA-N 301.737 2.716 0 40 DFAB CCCN(Cc1cnn(C)c1)C(=O)c1cccc(N2CC=CC2)c1 102715030 QUHHRPZEXHKVOS-UHFFFAOYSA-N 324.428 2.849 0 40 DFAB C[C@H](CC1CCCC1)C(=O)N(C)Cc1nnc2ccccn12 72572216 PAUZIJPEQQFXAO-CYBMUJFWSA-N 300.406 2.904 0 40 DFAB CC(=O)c1ccc(N2CCN(Cc3cccnc3)CC2)c(F)c1 97527648 PUJNTXOPPUKXPH-UHFFFAOYSA-N 313.376 2.746 0 40 DFAB COc1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 23379222 VGHQKNAARJKVQP-UHFFFAOYSA-N 324.424 2.977 0 40 DFAB COc1ccc(OCCSCC(=O)N[C@H](C)C2CC2)cc1 56217022 OAKMWFPMHCZTMG-GFCCVEGCSA-N 309.431 2.722 0 40 DFAB C[C@H](NC(=O)NCc1ccnn1C)c1ccc2c(c1)CCCC2 26395866 FNLZMJYMIUFQPQ-ZDUSSCGKSA-N 312.417 2.859 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)C=C1CCCCC1 57252346 MOAGXIUDEDKMEL-UHFFFAOYSA-N 300.402 2.781 0 40 DFAB O=C(NCc1ccccc1CN1CCCC1)c1ccnc(F)c1 57994883 KNQBHDRSDSQNPD-UHFFFAOYSA-N 313.376 2.747 0 40 DFAB c1ccc(-n2ncc3c(N[C@@H]4C[C@@H]5CC[C@@H]4O5)ncnc32)cc1 102682306 OUFVUHRKTXUPRH-CFVMTHIKSA-N 307.357 2.547 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccc(OC)c(OC)c2)c1 27321589 VMCOXLOTBGCICB-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccs1 3219379 MLHJWLGOUBPUDY-UHFFFAOYSA-N 301.367 2.884 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@H]3C)cc1 26896969 GYEXJJHYJSNDAA-VXGBXAGGSA-N 303.383 2.969 0 40 DFAB CC(C)CCC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 58201933 IINZTRQPNGSXMU-UHFFFAOYSA-N 317.433 2.763 0 40 DFAB CCOc1cc2c(c3[nH]c(C(=O)N(C)OC)cc13)O[C@@H](C)C2 58264714 NQMIQFGPYMIOBB-VIFPVBQESA-N 304.346 2.523 0 40 DFAB COC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 48288569 KBCXFQMDGHWDCN-INIZCTEOSA-N 315.344 2.789 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N(C[C@@H]1CCOC1)C1CC1 44941240 MVUYNPOBVMFWQS-NSHDSACASA-N 302.330 2.576 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58342564 PYACPWQSFZDLKI-TZMCWYRMSA-N 306.369 2.693 0 40 DFAB Cn1c(=O)oc2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)ccc21 62220658 ONEYFEYZMHYRKJ-KGLIPLIRSA-N 308.337 2.874 0 40 DFAB CCN(CC)CCNC(=O)c1cnn(C(C)C)c1C(F)(F)F 58340970 JYSXBCSYFFCFNZ-UHFFFAOYSA-N 320.359 2.554 0 40 DFAB Cc1cnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)nc1 36391079 LZSOUIQHYIWDLW-LLVKDONJSA-N 305.378 2.721 0 40 DFAB COc1cccc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)c1 12791944 LARNMJQLENGVPB-UHFFFAOYSA-N 324.384 2.951 0 40 DFAB O=C(COC(=O)c1cccs1)NCc1ccccc1Cl 3317222 BTQIWGLIRLBJIP-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)n1cc(Br)cn1 28223985 CEGJHSUYIPAYFU-SECBINFHSA-N 324.178 2.854 0 40 DFAB CC(C)N(C(=O)CSc1cccc[n+]1[O-])c1ccccc1 3330040 HWJKSNVFBAIEQP-UHFFFAOYSA-N 302.399 2.854 0 40 DFAB Cc1ccc(C)c(C(=O)OCC(=O)NCc2cccs2)c1 3300070 DNLJSBHXKLJPAK-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB CC[C@H](C)[C@@H](C)NC(=O)c1nn(CC)c(=O)c2ccccc12 48355646 HTIMGZBAIKDFOA-NWDGAFQWSA-N 301.390 2.581 0 40 DFAB C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 48442216 OIVWALBFIHCCFJ-CYBMUJFWSA-N 303.406 2.581 0 40 DFAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1 48542116 GYTPLQFLWNCZIG-GFCCVEGCSA-N 306.793 2.927 0 40 DFAB C[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 12953018 VVNQGGNNCCBEHK-BBRMVZONSA-N 316.401 2.676 0 40 DFAB CONC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 12944470 OWCBJTFYRPRDLZ-LURJTMIESA-N 308.559 2.547 0 40 DFAB C[C@@H](NC(=O)COc1ccccc1C(=O)O)c1ccc(F)cc1 13080302 UNABOMWCYRLBRB-LLVKDONJSA-N 317.316 2.780 0 40 DFAB CC1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1 9834203 SPYMMPZRVNQXER-UHFFFAOYSA-N 311.385 2.864 0 40 DFAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccoc1 64521830 IGOXNSNEJJNIKT-CYBMUJFWSA-N 304.415 2.983 0 40 DFAB CSCc1c(C(=O)NN2CCOCC2)sc2ccccc12 97212680 UKPJUUOANTUYQP-UHFFFAOYSA-N 322.455 2.741 0 40 DFAB COc1ccc(CNC(=O)c2ccc(F)cc2F)cc1OC 6285261 ZXWZCSIRCJQZNZ-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)O)c1 5205329 ZPDWVWXARSKGAZ-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB CCN1CCN(C(=O)CCc2cscn2)c2ccccc21 78880222 RSMCTXKJKQEEHL-UHFFFAOYSA-N 301.415 2.949 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 14190477 PIRCJGAONVCGQB-NSHDSACASA-N 323.439 2.951 0 40 DFAB CC(C)c1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 4550324 SKFZRIWGKHARPN-UHFFFAOYSA-N 312.369 2.926 0 40 DFAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccco2)C(N)=O)cc1 4526245 HTKVKDMRHXOBQO-PTNGSMBKSA-N 312.369 2.833 0 40 DFAB O=C(NCCSCc1ccco1)c1ccc2c(c1)OCO2 6579665 HBXOINJBHAZEGE-UHFFFAOYSA-N 305.355 2.672 0 40 DFAB COc1ccc(NC2CCN(CCC(F)(F)F)CC2)cn1 97081085 CFPYKCLZCURVFS-UHFFFAOYSA-N 303.328 2.919 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 6640098 QEWMHKYHEPSISS-POYBYMJQSA-N 303.145 2.526 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1 6649133 KFZCOFPEOAJMHI-DHZHZOJOSA-N 307.353 2.901 0 40 DFAB NS(=O)(=O)c1cccc(NC(=O)CCC2CCCCC2)c1 6882702 PVCAXQQOTAQQHW-UHFFFAOYSA-N 310.419 2.633 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2OC)o1 72234374 FZSAIXMAEJAMSQ-ZDUSSCGKSA-N 317.389 2.870 0 40 DFAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C=C(C)C)cc1 68113043 GYDNJIORJSKVNA-CQSZACIVSA-N 320.414 2.501 0 40 DFAB Cc1cccc(Cc2cnc(NC(=O)C3=COCCO3)s2)c1 9499056 LQHXGZOFHLZRSL-UHFFFAOYSA-N 316.382 2.869 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1F 19804296 ZPTNTRXEJPYACR-QMMMGPOBSA-N 300.305 2.817 0 40 DFAB COc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 68727130 NEOILABGVFQAQD-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1CCC[C@H](C)C1 68962620 YEIWKJMEQDLBPG-ZDUSSCGKSA-N 303.406 2.624 0 40 DFAB Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CCC2 16848301 XZCRAUYLCZLECX-UHFFFAOYSA-N 305.765 2.580 0 40 DFAB Cc1nc(C)c(C(=O)N[C@H](CC(=O)O)c2cccs2)s1 71892834 URQSMNWULVRUAA-SECBINFHSA-N 310.400 2.767 0 40 DFAB Cc1ccoc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91776820 QPKPVHAFSGNYLD-FZMZJTMJSA-N 307.296 2.814 0 40 DFAB CCN(CC)CCCN(C)[C@@H](C)C(=O)Nc1ccccc1OC 69702629 STGPHAMVOSCLPO-HNNXBMFYSA-N 321.465 2.686 0 40 DFAB COC1CCN(C(=O)Cc2ccccc2Br)CC1 69738804 MZOUOOIXLSAPSX-UHFFFAOYSA-N 312.207 2.629 0 40 DFAB Cc1ccc(C)c(N(CC(=O)NC[C@H]2CCOC2)C(C)C)c1 95396755 UCICLLRFRQUUAR-MRXNPFEDSA-N 304.434 2.671 0 40 DFAB O=C(c1cccs1)N1CCCN(CCc2ccccn2)CC1 71900619 BMWYRYPMUAMDKQ-UHFFFAOYSA-N 315.442 2.534 0 40 DFAB Cc1cc(CN2CCN(C(=O)C[C@H]3CCC[C@H](C)C3)CC2)on1 69922495 ZXIANRSKUWEAAX-HOCLYGCPSA-N 319.449 2.844 0 40 DFAB Cc1ccc(N2CCC[C@H](NCc3ccc(C)s3)C2)nn1 69900854 GCJRCPDFIPNFCC-AWEZNQCLSA-N 302.447 2.914 0 40 DFAB O=C(NCCOc1cccnc1)c1ccc(F)c(Cl)c1F 97137601 JXLVUIMMMAHICS-UHFFFAOYSA-N 312.703 2.822 0 40 DFAB COC(=O)CN(C)C(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3 95349993 UJYMDKGOUUSFIS-LLVKDONJSA-N 314.385 2.538 0 40 DFAB CNC(=O)NC(=O)[C@H](C)Nc1ccc2oc3ccccc3c2c1 8721164 NJETXMIWMXZONQ-JTQLQIEISA-N 311.341 2.842 0 40 DFAB Cn1ccc(NC(=O)/C=C/c2ccc(Br)s2)n1 18948971 HACLQEBETNDGFS-HWKANZROSA-N 312.192 2.896 0 40 DFAB CCc1ccsc1CNC(=O)NCc1cccc(N(C)C)n1 95437698 FVONRNFIETZQCG-UHFFFAOYSA-N 318.446 2.771 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95996744 NNPCNNKBKQPVSN-AWEZNQCLSA-N 305.422 2.578 0 40 DFAB Cc1ccc([C@H]2C[C@H]2C(=O)N(C)CCCn2ccnc2)s1 89656341 FTKGUCWIOFHQFD-UONOGXRCSA-N 303.431 2.905 0 40 DFAB Cc1nnc(SC[C@H](O)COc2cccc3[nH]ccc23)s1 89740829 JSYKDIUWMPSAAW-SNVBAGLBSA-N 321.427 2.860 0 40 DFAB O=C(NNc1ccccc1C(F)(F)F)c1cnc(Cl)cn1 89813308 ICPHKWKXSSYTHG-UHFFFAOYSA-N 316.670 2.906 0 40 DFAB FC(F)(F)[C@@H]1CCc2nnc(CNCc3cccs3)n2C1 89800018 SRMATMKLADDWLG-SECBINFHSA-N 316.352 2.754 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Cc1ccccc1Cl 408625308 XIZCKGZRLZQNGW-XMDOAZLISA-N 313.784 2.893 0 40 DFAB O=C(Nc1ccccc1Cl)c1ccc(F)cc1-n1cnnn1 20724448 DVAOTHXRQRVPLK-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CCOCc1c(I)cnn1[C@@H](C)CC 408717088 VQDQNXICKOWKHP-QMMMGPOBSA-N 308.163 2.995 0 40 DFAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C 408996776 ANZGXEQAWXICII-KCQAQPDRSA-N 304.390 2.858 0 40 DFAB COc1cccc(-c2nnc3n2N=C(C(F)(F)F)CS3)c1 32604244 FKDLOBBCROMGOH-UHFFFAOYSA-N 314.292 2.826 0 40 DFAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(C)=O)C2)c1 72358431 VXQOAQUAZJUCQC-OAHLLOKOSA-N 311.385 2.878 0 40 DFAB Cc1nnc([C@@H](C)NCC2(N3CCSCC3)CCCCC2)o1 79030939 KWPMTIGQGJAUCK-CYBMUJFWSA-N 324.494 2.780 0 40 DFAB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 136518821 IPDBSUZSHWFZDN-OHTBPHCPSA-N 324.163 2.826 0 40 DFAB CCOc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1 48376301 XHNYXXVJBVKMQW-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB O=C(NCCCc1ccco1)c1cccc(N2CCCC2=O)c1 225094562 OKYBLOPSGRWPMF-UHFFFAOYSA-N 312.369 2.769 0 40 DFAB COc1cc(C=O)ccc1OCS(=O)(=O)c1ccc(C)cc1 226233691 MWQOPDPXPYRMQN-UHFFFAOYSA-N 320.366 2.626 0 40 DFAB O=C(COc1ccc2ccccc2c1)NC[C@@H](O)c1ccoc1 75171746 GXVHQIYEJCPOCY-QGZVFWFLSA-N 311.337 2.661 0 40 DFAB Cc1ccnc(NC(=S)NCCCN2CCC(C)CC2)c1 225437973 UDCSEACUMAZASU-UHFFFAOYSA-N 306.479 2.798 0 40 DFAB CC[C@H](C)OC(=O)c1snnc1-c1cnc(SC)nc1 223854069 KYLBSDHWULBYCH-ZETCQYMHSA-N 310.404 2.672 0 40 DFAB CCCOc1ccc(NC(=O)C(F)(F)F)cc1C(=O)OC 225782040 NHMLLUZHWYKMMV-UHFFFAOYSA-N 305.252 2.763 0 40 DFAB C[C@@H](Nc1ccc(Oc2cnccn2)cc1)c1nnnn1C1CC1 225628211 CCOLOSCVCIDDBW-LLVKDONJSA-N 323.360 2.763 0 40 DFAB CCN1CCN([C@@H]2CCN(C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 191065990 AYVLCJGFSDWJCR-QRVBRYPASA-N 305.510 2.691 0 40 DFAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3cccc(F)c3)cc2C1 49551536 CLGJOJJRDAUXRV-LLVKDONJSA-N 314.360 2.569 0 40 DFAB CCO[C@@H](C)C(=O)NC1CCN(c2cc(C)ccc2F)CC1 97098070 UZBPUIPKQSRCMM-ZDUSSCGKSA-N 308.397 2.644 0 40 DFAB CC[C@H](NC(=O)Cn1cccn1)c1nc(C(F)(F)F)cs1 96443880 MQBWUOFMIOHTCM-QMMMGPOBSA-N 318.324 2.626 0 40 DFAB CC(C)Nc1ncnc2c1CCN(C(=O)CC1CCCC1)CC2 96255553 KEVUKRCGPCWKNI-UHFFFAOYSA-N 316.449 2.804 0 40 DFAB c1ccc(CN2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 96073770 JOQCVIZHLOVKKU-HKUYNNGSSA-N 324.428 2.712 0 40 DFAB c1ccc(CO[C@H]2CN(Cc3ccsc3)[C@@H]3COC[C@@H]32)nc1 96185101 BBVSYJQGCAHAJS-BBWFWOEESA-N 316.426 2.559 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1ccccc1CN1CCC(O)CC1 96487356 WTNDGVIHOGSUNE-HNNXBMFYSA-N 314.429 2.938 0 40 DFAB CS(=O)(=O)CCN1CCC[C@H]1[C@@H]1CCCc2ccccc21 96452067 MGASLQPRBUAIBD-SJORKVTESA-N 307.459 2.616 0 40 DFAB COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 247940259 WONSGKWAEWIBEJ-SGMGOOAPSA-N 319.401 2.878 0 40 DFAB COCCN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 257341707 ZLMKJMPAMNKQQM-BQFCYCMXSA-N 302.418 2.507 0 40 DFAB CO[C@@H]1CCCOC12CCN(Cc1ccc(Cl)cn1)CC2 257222371 DTBDMFXSTQHGKG-OAHLLOKOSA-N 310.825 2.895 0 40 DFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2CO)cc1 252515869 OFPTXVRIANHEFN-RCCFBDPRSA-N 316.422 2.852 0 40 DFAB Cc1ccc2cc(C(=O)O)n(CC(=O)N3CCCCC3)c2c1 585266981 FCVGAZKIQVEEKP-UHFFFAOYSA-N 300.358 2.660 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 43953323 WAMTWAMCDKQING-GFCCVEGCSA-N 310.419 2.744 0 40 DFAB Cc1ccc(CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 47817102 NQWBAHVVTAIKQO-FQEVSTJZSA-N 324.424 2.905 0 40 DFAB CCOc1ccc(C(=O)NC[C@H](C)Cn2ccnc2C)cc1 47937857 PXKPTKLGXMJASL-ZDUSSCGKSA-N 301.390 2.656 0 40 DFAB CS(=O)(=O)/N=C(\O)c1cnc(-c2ccccc2Cl)s1 51896824 VLHQHRQXVIKSKL-UHFFFAOYSA-N 316.791 2.728 0 40 DFAB Cc1ccccc1C[C@@H](C)NC(=O)CNC(=O)c1ccsc1 55312046 QNDNIYCQEZYRGO-CYBMUJFWSA-N 316.426 2.534 0 40 DFAB CN(C)c1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cn1 54200109 MLFYTKNKXFCTGQ-UHFFFAOYSA-N 324.428 2.546 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 75161503 XVORYRVOICPERG-CQSZACIVSA-N 315.417 2.869 0 40 DFAB Cc1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 96104326 JZXATOSDZMIENB-UHFFFAOYSA-N 321.442 2.567 0 40 DFAB Cc1csc(NC(=O)C2CCN(c3ncccc3F)CC2)n1 97013501 ACVWRVBXZFILLM-UHFFFAOYSA-N 320.393 2.841 0 40 DFAB CN(C)C(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 16384966 MTRVLIPQGIWVEE-LNSITVRQSA-N 317.458 2.863 0 40 DFAB CNC1CCC2(CC1)CN(C(=O)C(C)C)Cc1ccccc1O2 19086125 XFLTZPQHHDATCU-UHFFFAOYSA-N 316.445 2.964 0 40 DFAB COc1ccccc1N1C(=O)C[C@@H](Nc2cccc(F)c2)C1=O 7213208 NNHYJMOIRLIGJJ-CYBMUJFWSA-N 314.316 2.578 0 40 DFAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1 11605076 MHKCTWYJGZFGFL-AWEZNQCLSA-N 306.369 2.817 0 40 DFAB COCCCNC[C@H](O)COc1ccc(C(C)(C)C)cc1C 6083452 QHCJVMKDBOYEFN-INIZCTEOSA-N 309.450 2.658 0 40 DFAB OC[C@@]12CCCC[C@@H]1CN(c1ncnc3ccc(F)cc13)C2 1888866587 XJTNDEMWWJAGHI-PXAZEXFGSA-N 301.365 2.758 0 40 DFAB O=C(NCC1(c2ccsc2)CC1)c1ccc2c(c1)OCO2 1888914320 XKBJVUDKBMJOEW-UHFFFAOYSA-N 301.367 2.938 0 40 DFAB COC(=O)C(C)(C)NC(=O)Cc1ccc(Cl)cc1Cl 23152594 BKGCWMHBHCMSHF-UHFFFAOYSA-N 304.173 2.604 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2049238351 JVEWXTLFKFWQPU-KMAHPJHPSA-N 306.446 2.930 0 40 DFAB CCC(CC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O 8584599 REMNSMNPGOVCLT-UHFFFAOYSA-N 316.401 2.632 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2c(C)nc3sccn3c2=O)c1 8931612 MWTHQJLODUGUMA-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB COCCN1CC[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@H]21 2055745924 QHPOZCIVVNWKQW-RHSMWYFYSA-N 310.388 2.507 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)c1nc2ccccc2n1C 551527591 DKMMVGDDQZWIIH-UHFFFAOYSA-N 309.369 2.981 0 40 DFAB Fc1ccc2c(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)ncnc2c1 2298063130 IGEZERVKJSBEOP-STQMWFEESA-N 312.392 2.689 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O 3881326 SGYCSWPEAHDOHE-HRWPHDMVSA-N 304.430 2.852 0 40 DFAB biogenic C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 40159822 ZSAZHJNQQDOAHD-DZGCQCFKSA-N 324.380 2.606 0 40 DFAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)c2ccccc2)C1 40506338 WUKPEPKMNVGWSC-WBVHZDCISA-N 316.445 2.801 0 40 DFAB CC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843247 XEIXNGGKRGBQGD-GXTWGEPZSA-N 306.381 2.593 0 40 DFAB CCc1ccc([C@@H](CNC(=O)c2c(C)noc2C)N(C)C)cc1 32733707 WSNQXUGSDHUGQS-MRXNPFEDSA-N 315.417 2.887 0 40 DFAB COc1ccc([C@@H](C)NCCC(=O)Nc2cc(C)on2)cc1F 32751164 RMJKNRCVLXIKEX-LLVKDONJSA-N 321.352 2.810 0 40 DFAB C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc2c(c1)OCO2 32889243 WJWPBADFZPAKDM-NSHDSACASA-N 321.336 2.850 0 40 DFAB CCOC(=O)COc1cccc(NC(=O)C[C@H]2C=CCC2)c1 33188972 QQYZDCZIINSUGF-ZDUSSCGKSA-N 303.358 2.923 0 40 DFAB O=C(O)/C=C/C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 532305 ZTCZGEQIGMDKOG-MVIFTORASA-N 316.338 2.660 0 40 DFAB O=C([C@@H]1CC1(c1ccccc1)c1ccccc1)N1CCOCC1 342689 PSSKPKBIRARCFR-SFHVURJKSA-N 307.393 2.851 0 40 DFAB CCOC(=O)c1coc(CC(=O)c2c(C)cc(O)cc2O)c1 408893 FOVAVVATCLFZTA-UHFFFAOYSA-N 304.298 2.601 0 40 DFAB biogenic CCO[C@H](C)C(=O)NCCc1ccccc1Br 61263110 WCGMYSHUZHMLHI-SNVBAGLBSA-N 300.196 2.533 0 40 DFAB O=C(NCCc1nc(-c2cccc(O)c2)cs1)C(F)(F)F 1415064 JIHUPDXBXTZSFC-UHFFFAOYSA-N 316.304 2.737 0 40 DFAB CCCCn1c(S)nnc1-c1cc(C)nc2c1c(C)nn2C 12394451 SJZGDDNVSQWUHC-UHFFFAOYSA-N 316.434 2.932 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cscn1 78647152 RCJDYQPBXMMWJK-LLVKDONJSA-N 317.197 2.913 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCO[C@H]3CCCC[C@@H]32)n1 78953645 WGFSFRQTMWGHCL-ILXRZTDVSA-N 323.437 2.947 0 40 DFAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1 79122504 QKLCPAZLCZVMIS-IILDEKEXSA-N 306.450 2.617 0 40 DFAB CC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl 22408520 QHDFRWXDDIKUQJ-UHFFFAOYSA-N 310.762 2.738 0 40 DFAB O=C(COC(=O)c1ccsc1)NCc1cccc(Cl)c1 22538686 LTLFDTXKVFWPDF-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB CCCOc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1 42159182 LFCAORLKYALQBT-UHFFFAOYSA-N 324.402 2.593 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 42162496 CDEYKBNSXRUQQK-LBPRGKRZSA-N 322.364 2.712 0 40 DFAB O=C1N=C(O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@@H]12 4301729 JOZFRLCLDICRRS-UPJWGTAASA-N 318.716 2.907 0 40 DFAB CCC[C@@H]1CCCN(C(=O)CSc2cccc[n+]2[O-])CC1 61596381 NLNVVFYTTLLRTQ-CQSZACIVSA-N 308.447 2.841 0 40 DFAB CN(c1ccc(Br)cc1)c1nc(N)nc(N)c1N=O 4707849 LOLCWHSLUCZYHK-UHFFFAOYSA-N 323.154 2.569 0 40 DFAB O=C(NCc1ccccc1Cl)c1nc(-c2ccccn2)no1 12409541 AASLJWAIUYIPTR-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1C 6368727 LVBBKMMONJIPTI-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB O[C@H](c1ccccc1)c1ccccc1CN1CCCNC1=S 6575731 DGKAMKSHNCPFPY-QGZVFWFLSA-N 312.438 2.849 0 40 DFAB Cc1cnc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cn1 7414980 ZIGKPFFJGNQONR-JTQLQIEISA-N 304.733 2.867 0 40 DFAB O=C(N[C@@H]1CCCCNC1=O)c1cc(-c2ccccc2)cs1 42478514 LRBNZMMZLKUFKO-CQSZACIVSA-N 314.410 2.814 0 40 DFAB Cc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)no1 10271989 DXZOOYCZEXHDRO-UHFFFAOYSA-N 317.736 2.778 0 40 DFAB CCOC(=O)c1cccc(NC(=O)NCc2ncccc2C)c1 105000065 QDRBLDPRUKFYND-UHFFFAOYSA-N 313.357 2.888 0 40 DFAB Cc1cc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)no1 24691100 ATOBMZRJHLIQSM-CYBMUJFWSA-N 300.362 2.631 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CCO[C@@H](c2ccccc2)C1 24793884 GUKZTTMRSJHTLS-GOSISDBHSA-N 319.364 2.844 0 40 DFAB Cc1csc(NC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)n1 24756078 APWVVIWAWOMRRS-BCPZQOPPSA-N 315.398 2.608 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1ccc2[nH]nnc2c1 24757396 BBGBXQFKGAZFCW-UHFFFAOYSA-N 302.721 2.872 0 40 DFAB Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1F 9982389 PWPFAOGIFRHSIR-GFCCVEGCSA-N 300.333 2.950 0 40 DFAB C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1nnc2ccccn12 44363474 JAUJJKBHLFMUJD-GFCCVEGCSA-N 324.359 2.777 0 40 DFAB O=C(O[C@H]1CCOC1=O)c1cc(Br)ccc1Cl 3352462 JZDVEOUCWJTENC-VIFPVBQESA-N 319.538 2.575 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCc2ccnc(N(C)C)c2)o1 44951222 ZETIIGVRDSTBJZ-GFCCVEGCSA-N 302.378 2.609 0 40 DFAB Cc1noc(N)c1C(=O)OCc1nc2ccccc2n1C(F)F 44926722 XHDRHMXTPWXMNI-UHFFFAOYSA-N 322.271 2.667 0 40 DFAB COc1cccc(OCC(=O)NCCSC2CCCC2)c1 52668158 QYGCANGXNOXIHU-UHFFFAOYSA-N 309.431 2.866 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(c2ccccc2)C1 21346475 KXNVDWPYBLWSNB-LLVKDONJSA-N 316.307 2.956 0 40 DFAB CN(CCNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 11720450 PXRMWTBWHGWGOH-UHFFFAOYSA-N 322.412 2.748 0 40 DFAB C[C@@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc2c(c1)CCCC2 60381225 GLNBXGYGVCNEMM-LLVKDONJSA-N 323.400 2.709 0 40 DFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(CC)CC1 20462286 MLJFBCBRMFALCN-MRXNPFEDSA-N 304.434 2.625 0 40 DFAB CCOCCN1CCC(C(=O)OCC)(c2ccccc2)CC1 38173848 VMVJLNLGDBPIHB-UHFFFAOYSA-N 305.418 2.620 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)cc1 3617073 KBLDLDRPJMABPY-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 9051661 ZHUCSRDWNWWOOM-SNVBAGLBSA-N 312.325 2.667 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)s1 39603662 FKSFGUCOKSQPQY-UHFFFAOYSA-N 313.787 2.746 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2CCN(CC3CCCCC3)CC2)c1 65553766 OBTOTOZZELJMOJ-UHFFFAOYSA-N 317.433 2.555 0 40 DFAB CCO[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O 4653827 DQGWCIXIXQASJE-NSHDSACASA-N 322.670 2.691 0 40 DFAB CN(C)[C@H](CNC(=O)[C@H]1COc2ccccc21)c1cccs1 71904521 YTBFYJJYAHNQTF-UONOGXRCSA-N 316.426 2.643 0 40 DFAB C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@@H]21)n1cnc2ccccc21 71826869 BRMORTARXPAUOO-XOKHGSTOSA-N 313.401 2.767 0 40 DFAB COc1cc(Br)ccc1CN(C)C[C@H]1CCOC1 96005932 DKUQITCHBVTYEO-LLVKDONJSA-N 314.223 2.926 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 90410812 VSGKLYJEPBSIMP-JSGCOSHPSA-N 301.390 2.887 0 40 DFAB CCS[C@H]1CCCCN(C(=O)CCNC(=O)C(C)(C)C)C1 71899373 PPVKFUUCXQUMDQ-ZDUSSCGKSA-N 314.495 2.673 0 40 DFAB CN(C(=O)c1cccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 80504480 QJLHTSQBLBFABS-GOSISDBHSA-N 309.413 2.818 0 40 DFAB O=C(CSc1n[nH]c2nc3ccccc3n12)c1ccc(O)cc1 9377122 XLDFZORUOPCKOV-UHFFFAOYSA-N 324.365 2.891 0 40 DFAB C[C@@H](NC(C)(C)CNC(=O)[C@@H](C)n1ccnc1)c1ccccc1 68385351 ZJGTZWDAOWDFGC-HUUCEWRRSA-N 314.433 2.690 0 40 DFAB CC(C)c1n[nH]c(SCC(=O)NCCc2ccccc2F)n1 9387802 BWFPTLPWPCOJHM-UHFFFAOYSA-N 322.409 2.518 0 40 DFAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncc(CC)s2)C1 81228832 SNFQGORIMGRIHA-LLVKDONJSA-N 309.435 2.683 0 40 DFAB Nn1c(SCCCC(=O)c2ccc(F)cc2)nnc1C1CC1 8011133 DKBMMXSKTUEWRC-UHFFFAOYSA-N 320.393 2.764 0 40 DFAB Cc1cccc2[nH]c(C(=O)OCC(=O)NCc3ccco3)cc12 9479100 ARNRUTQWBRJCKR-UHFFFAOYSA-N 312.325 2.543 0 40 DFAB CC(C)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69415117 QTHYCIKSDPJMRO-QGZVFWFLSA-N 316.445 2.773 0 40 DFAB Fc1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 69586747 WZGUDCWICHPEEX-UHFFFAOYSA-N 305.422 2.990 0 40 DFAB CN(C(=O)C1CCC1)[C@H]1CCN(c2ccccc2Cl)C1=O 69743767 VQBPLEXZYCHXAS-AWEZNQCLSA-N 306.793 2.704 0 40 DFAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCCC1 8649917 LUHFWMYCPSAANP-ZDUSSCGKSA-N 314.385 2.655 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C)c(C)c1 69899894 GYLHRBTYGBVCTG-CQSZACIVSA-N 306.431 2.799 0 40 DFAB Cc1csc(C(C)(C)NC(=O)Nc2nnc3ccccn23)n1 96410645 KVBUNSRGHRCLPP-UHFFFAOYSA-N 316.390 2.551 0 40 DFAB O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccnc(Cl)c1 96444515 CLAOIHZORXCFJB-UHFFFAOYSA-N 318.739 2.723 0 40 DFAB COCc1ccc(C(=O)N(C)CCOc2ccc(F)cc2)o1 96989609 VKJRENOPQNHLPX-UHFFFAOYSA-N 307.321 2.716 0 40 DFAB c1ccc2c(c1)OC[C@@H](c1nnc(NCc3cncs3)o1)O2 97114495 TUZWMKOZTZIKJI-LBPRGKRZSA-N 316.342 2.651 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCc3nccn3C2)oc2c(F)cccc12 97197370 ILAFVWQRNPGFRS-LLVKDONJSA-N 313.332 2.822 0 40 DFAB CC1(CCNC(=O)N[C@H]2CCc3cc(Cl)ccc32)OCCO1 97115780 OEDSYXNRJKPYKC-AWEZNQCLSA-N 324.808 2.780 0 40 DFAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2cccs2)C1=O 97102586 NVTKPTCEMVFXSW-OAHLLOKOSA-N 304.346 2.854 0 40 DFAB Cc1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)no1 97141236 KVLSNLWPMAIDFY-UHFFFAOYSA-N 314.370 2.729 0 40 DFAB Cc1cc(O)ccc1NC(=O)CC1(N2CCOCC2)CCCC1 95431728 FPCAGMRESSPZSH-UHFFFAOYSA-N 318.417 2.674 0 40 DFAB Cc1cc(C)c2cc(-c3noc(CCC(=O)O)n3)c(O)nc2c1 22119574 XPJYGWBDWBJXQD-UHFFFAOYSA-N 313.313 2.624 0 40 DFAB Cc1nc(C)c(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)s1 95962128 DCKAIRXRFAKMRR-OAHLLOKOSA-N 316.426 2.997 0 40 DFAB COCCN1CC[C@]2(COc3ccc(-c4ccncc4)cc32)C1 306143435 YCEBIVFICBMCBT-LJQANCHMSA-N 310.397 2.731 0 40 DFAB CC(=O)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705217 WGNSOXMXZPAALQ-AWEZNQCLSA-N 301.415 2.855 0 40 DFAB Cn1ccc(-c2cc(C(=O)NC3CCC(C(F)F)CC3)n[nH]2)c1 515868070 ZJJZIINTPJKJJM-UHFFFAOYSA-N 322.359 2.969 0 40 DFAB Cc1nnc2sc(Cc3ccc(Br)cc3)nn12 73638807 LHMLTGDLUASOIN-UHFFFAOYSA-N 309.192 2.848 0 40 DFAB COC(=O)c1ccc(CSc2nnc(N(C)C)n2C(C)C)o1 78412752 UCUVHXRWQMXWFW-UHFFFAOYSA-N 324.406 2.597 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)c1 77658493 HNHHMHBRLDLRDK-ZIAGYGMSSA-N 324.446 2.781 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@H](Nc3ncccn3)C2)c1 1057746840 DECMTLQKIGJHTO-KRWDZBQOSA-N 324.428 2.739 0 40 DFAB COc1ccc(OC)c(CC2=NN[C@@H]3CC(C)(C)CC(=O)[C@H]23)c1 228930750 FLOUDHFIJVJUDB-RHSMWYFYSA-N 316.401 2.579 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)c1 88777582 ZWJHMXWWFPGTPI-AWEZNQCLSA-N 319.430 2.595 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC(C)C 222847386 FRWZOJHITYCTLW-INIZCTEOSA-N 320.433 2.737 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)/C=C/c1ccc(C(=O)O)cc1 95389800 VJMWHHHJPRSEQA-RMKNXTFCSA-N 314.341 2.661 0 40 DFAB CCc1nnc(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)s1 578944971 DYHNLSMEYCGOQO-GFCCVEGCSA-N 320.393 2.726 0 40 DFAB O=C(CC1CC1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239279 BREUGVUSFGMNFG-INIZCTEOSA-N 304.415 2.504 0 40 DFAB CS(=O)(=O)CCN1CCC[C@@H]1[C@H]1CCCc2ccccc21 247523628 MGASLQPRBUAIBD-DLBZAZTESA-N 307.459 2.616 0 40 DFAB NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccccc2)s1 257225775 FHSZBVAZQGDXLR-LBPRGKRZSA-N 315.398 2.609 0 40 DFAB O=C(c1cncnc1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 257285229 PGESUAOVWRWEBW-CQSZACIVSA-N 318.380 2.730 0 40 DFAB Cc1cc(CC[C@H]2CCCN2C(=O)C2CCOCC2)ccn1 257245121 IODDCSDBKRIKKW-QGZVFWFLSA-N 302.418 2.740 0 40 DFAB CC(C)C(=O)N1CCCC[C@H]1c1nnc([C@@H]2CCCCN2)o1 257342780 ZQDHBRSPCIWMPF-STQMWFEESA-N 306.410 2.594 0 40 DFAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c1 256048868 WSVNEQLWGPKSDC-UHFFFAOYSA-N 314.389 2.963 0 40 DFAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2ccn[nH]2)C1 257269087 MOMPQPFYPGSSNE-SNVBAGLBSA-N 307.756 2.761 0 40 DFAB CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1OCCCO1 280088660 JWYKUGJRDRWWOO-AWEZNQCLSA-N 311.809 2.930 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 69969832 ABBWDUHPTDSRGA-CQSZACIVSA-N 321.384 2.612 0 40 DFAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccoc3C)c2)n1 71922301 ZPXICPWHINCUPV-UHFFFAOYSA-N 310.309 2.866 0 40 DFAB CC(C)c1nc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c[nH]1 84622391 YLAQNCRBBQFLMW-LBPRGKRZSA-N 315.377 2.771 0 40 DFAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2N)c(C)s1 95944693 BLFFUVDYMVBEPQ-UHFFFAOYSA-N 310.444 2.768 0 40 DFAB CCCS(=O)(=O)N(C)Cc1ccc(Br)c(F)c1 96451851 FCNYWOMLBSPELK-UHFFFAOYSA-N 324.215 2.760 0 40 DFAB CC1=C[C@H]2C(N3CCNCC3)=Nc3ccccc3N[C@H]2S1 1542984512 KDLRPPDSXYTYHV-LRDDRELGSA-N 300.431 2.640 0 40 DFAB Cc1nc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)cs1 1615192003 OYXNIJDWYWUWST-INIZCTEOSA-N 322.405 2.606 0 40 DFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 14220661 IHCIFZREZBHUSH-NSHDSACASA-N 309.362 2.874 0 40 DFAB Cc1ccc(-c2cnn3c(O)cc(Cn4cccn4)nc23)cc1 19212973 QJVFQJLNJCXWJB-UHFFFAOYSA-N 305.341 2.655 0 40 DFAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 6067666 CXGDRQWRJUSSAR-UQELTWSGSA-N 308.462 2.722 0 40 DFAB CCC(=O)N1Cc2ccccc2OC2(CCC(NC)CC2)C1 19499220 UGRYMVCVLZRCCI-UHFFFAOYSA-N 302.418 2.718 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)O 33456942 XRNGPZVODUIJPL-BBRMVZONSA-N 318.417 2.512 0 40 DFAB O=C(N[C@H]1CCCN(c2nc3c(F)cccc3s2)C1)C1CC1 1888869999 KAXGRMSVZTXNOC-NSHDSACASA-N 319.405 2.930 0 40 DFAB COc1ccc([C@H]2CN(c3cccnc3)[C@@H]3CCNC[C@H]23)cc1 1848357028 MQFBWRXBPAEXPY-GUDVDZBRSA-N 309.413 2.672 0 40 DFAB O=C(CCCn1cccn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 96223409 CYTFQMKSCMGAAY-INIZCTEOSA-N 323.400 2.903 0 40 DFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(C)C)C2)n(-c2ccccc2)n1 2332241648 RQTZSYNBZCEZAA-USXIJHARSA-N 314.433 2.571 0 40 DFAB NC(=O)[C@H](NCCc1c[nH]c2cc(F)ccc12)c1ccccc1 51164893 BIYKZFBCPWCYCK-QGZVFWFLSA-N 311.360 2.666 0 40 DFAB Cc1ccc([C@H](O)CNC(=O)[C@@H](C)n2cnc3ccccc32)cc1 32025484 YGUKQNZYOUAENX-RDTXWAMCSA-N 323.396 2.756 0 40 DFAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC(N2CCCC2)CC1 51952930 OPBZXLFSJYPTPA-CYBMUJFWSA-N 306.454 2.988 0 40 DFAB C[C@@H](CNC(=O)/C=C/c1cccnc1)N1CCc2ccccc21 33057428 GBGCNKLJLUMGFB-HVHJFMEUSA-N 307.397 2.662 0 40 DFAB O=C(O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 377252 ANSBNLLVCORQFR-UHFFFAOYSA-N 304.249 2.932 0 40 DFAB NS(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 481389 IAVSPSVAYDFADN-UHFFFAOYSA-N 318.185 2.779 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282891 USDVZMCVSHYNHG-LLVKDONJSA-N 322.796 2.698 0 40 DFAB COc1ccccc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 1358467 HDCDOSBWFZEBEU-UHFFFAOYSA-N 311.341 2.691 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 2658812 FAWVEWRZFDDSNL-AWEZNQCLSA-N 317.772 2.839 0 40 DFAB C[C@H](NC(=O)COC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2 6058054 BFAPTFJOKFCYBY-IWERZKIRSA-N 305.418 2.661 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)c1 7929060 CCAJBYUDYIYKGB-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB Cn1ncnc1SCc1nnc(-c2ccccc2Cl)o1 97375941 WDQIBYQXQTZHAY-UHFFFAOYSA-N 307.766 2.811 0 40 DFAB CC1=NN(c2ccccc2)C(=O)[C@@H]1NC(=O)c1ccc(C)cc1 100938974 HECYOUNUQOHNDS-MRXNPFEDSA-N 307.353 2.516 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2ccc(-n3ccnc3C)nc2)c1 54626100 IDPCVFOMLADWJW-UHFFFAOYSA-N 322.368 2.520 0 40 DFAB N[C@@H](CC(=O)O)c1cnc(-c2ccc(Cl)cc2Cl)nc1 8730992 SJDQGXVSKNCBOJ-NSHDSACASA-N 312.156 2.925 0 40 DFAB Cc1cccc(N2CCN(C(=O)Nc3nncs3)CC2)c1C 43128701 CRJWEHORHGHVOK-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)NC[C@H]1CCCOC1 55925028 HDRLUXLEYKAFIV-LLVKDONJSA-N 306.387 2.868 0 40 DFAB COC[C@H](C)NC(=O)CNc1ccccc1Cc1ccccc1 25613840 DLUMHKGNISPHMG-HNNXBMFYSA-N 312.413 2.840 0 40 DFAB O=c1[nH]c2c(oc3ccccc32)c(=O)n1CCc1ccccc1 57352019 BRRFYWFMDJEBGY-UHFFFAOYSA-N 306.321 2.679 0 40 DFAB O=C1CS(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 57352239 WHFSJYSHDYTGQS-UHFFFAOYSA-N 321.785 2.873 0 40 DFAB CCN(Cc1ccoc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 72551850 OALMUNHYOHRUDH-OAHLLOKOSA-N 318.377 2.709 0 40 DFAB COC(=O)CN(C(=O)[C@@H](C)SCc1ccccc1)C(C)C 97404110 BUMDKGGLPPGLIY-CYBMUJFWSA-N 309.431 2.718 0 40 DFAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)OC12CCCCC2 57355707 IBROGVWHMBLRFV-OAHLLOKOSA-N 301.386 2.877 0 40 DFAB CCN(CC)[C@@H](CNC(=O)[C@H](C)n1ccnc1)c1ccsc1 48236921 YGXYEUXTYPRQCO-ZFWWWQNUSA-N 320.462 2.705 0 40 DFAB Cn1cc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)ccc1=O 58265655 HLPJYAAQGVZFKY-UHFFFAOYSA-N 310.397 2.886 0 40 DFAB Cc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)s1 107746653 HZYCGVSHOGVBGK-CVEARBPZSA-N 306.475 2.742 0 40 DFAB CCOc1nc(SCCOc2ccccc2)nc(N(C)C)n1 2183423 RZWVBSYMPVCZNJ-UHFFFAOYSA-N 320.418 2.507 0 40 DFAB Cc1cccc(NC(=O)CN2C(=O)C(C)(C)c3ccccc32)n1 57355616 IMWGGXHAZABYON-UHFFFAOYSA-N 309.369 2.653 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccc(OC)c(N)c2)cc1 20344534 TYRDLMHLHWHAGF-UHFFFAOYSA-N 300.358 2.857 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N(C[C@@H]1CCOC1)C1CC1 44941423 VEBFDGLHAUPPQC-HOCLYGCPSA-N 303.402 2.619 0 40 DFAB COC(=O)CCCN(C)C(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 58341479 MRWHUMDHUTTWSS-VWZQRQAESA-N 305.374 2.828 0 40 DFAB CCN1CCC[C@H]1CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 3364490 YXQXOGNTWGGNGU-INIZCTEOSA-N 324.490 2.683 0 40 DFAB Cc1cc(NC(=O)C(=O)N(C)Cc2ccc3ccccc3c2)no1 45875540 FXKJVICNQPTKRE-UHFFFAOYSA-N 323.352 2.733 0 40 DFAB Cn1cc(Cl)cc1C(=O)Nc1cccc(N2CCOC2=O)c1 46361658 RUOZSRXNAAXUKY-UHFFFAOYSA-N 319.748 2.887 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=O)oc2ccccc21 2602249 FWGWAHUFKPNEHJ-CHWSQXEVSA-N 302.374 2.680 0 40 DFAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC1CC1 3464504 UWMXAUNPLDMIEM-UHFFFAOYSA-N 324.406 2.792 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 8944745 KGLUMEPCHAVYQF-QWRGUYRKSA-N 306.406 2.926 0 40 DFAB Cc1cc(C)n(C[C@H](C)CN[C@H](C)Cn2cnc(C)c2C)n1 93398711 BNVGKPKGDSKECI-TZMCWYRMSA-N 303.454 2.628 0 40 DFAB CCCNC(=O)CSc1ncnc2sc3c(c12)CCC3 5212739 QBGGWPYIQGSUDZ-UHFFFAOYSA-N 307.444 2.798 0 40 DFAB O=c1c2ccccc2nnn1Cc1csc(-c2ccccc2)n1 6588989 SNHQQTKODFFVAE-UHFFFAOYSA-N 320.377 2.963 0 40 DFAB O=C(c1cccc[n+]1[O-])N1CCC(c2cc3ccccc3[nH]2)CC1 65918193 OMGUECUYVLKNOQ-UHFFFAOYSA-N 321.380 2.821 0 40 DFAB CC(=O)N1N=C(c2c(C)nc3ccccn23)O[C@@H]1c1ccccc1 5646366 VUAAWMYFMLGLFD-GOSISDBHSA-N 320.352 2.882 0 40 DFAB Cc1cc(C)n2ncc(-c3noc([C@H](C)OCC4CC4)n3)c2n1 95394435 KIVCBQAZJDMFQG-NSHDSACASA-N 313.361 2.884 0 40 DFAB c1csc(-c2nnc(CN3CCS[C@@H]4COCC[C@H]43)o2)c1 110689617 LPTYMXIFHSQBMB-ZYHUDNBSSA-N 323.443 2.504 0 40 DFAB COc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)ccc1C 7146848 DOVCHPDVAHUMFI-LBPRGKRZSA-N 305.374 2.608 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 67620170 OWNNRDLCUGWGFO-XWTMOSNGSA-N 308.381 2.500 0 40 DFAB CCc1cccc(NC(=O)CNC(=O)c2ccccc2OC)c1 15789444 BAQRARPIAIJZAA-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB CCCn1nc(C(=O)N[C@@H](C)c2ccccc2Cl)ccc1=O 7782016 RRJSQTLGNBVKEZ-NSHDSACASA-N 319.792 2.798 0 40 DFAB CCCN1C(=O)CCc2cc(NC(=O)Nc3cn[nH]c3)ccc21 91195167 WEQYJPFIIGSIEU-UHFFFAOYSA-N 313.361 2.743 0 40 DFAB COc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cn1 8281489 XLJCWRXSVLXDEB-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1CN 70175865 QFVFOEBJPWEUHM-GWCFXTLKSA-N 300.324 2.905 0 40 DFAB O=C(NCc1ccc(F)c(Cl)c1)NC1CCC(O)CC1 69414878 FTLLWMMEQHHXJX-UHFFFAOYSA-N 300.761 2.582 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cnc(C)s3)C2)n1 69454322 CCMWPNCWALPFBZ-ZDUSSCGKSA-N 304.419 2.742 0 40 DFAB Cc1cccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 21057009 VELXXQKHEYIBHD-HUUCEWRRSA-N 304.434 2.613 0 40 DFAB CC[C@](C)(CO)NC(=O)Nc1ccc(F)cc1OC(F)F 84721205 XJCUEZDYGWBXLL-CYBMUJFWSA-N 306.284 2.710 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 71839340 NAGKVGZWGZMMKB-NSHDSACASA-N 318.373 2.502 0 40 DFAB C[C@H](CNC(=O)N1CCOCC[C@H]1C)COCc1ccccc1 91623774 GRBFKOUHBKTNSB-HZPDHXFCSA-N 320.433 2.660 0 40 DFAB CCOC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 71820706 GXXZTKMJHSKLQH-UHFFFAOYSA-N 317.364 2.857 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)cn1 69708849 AMUUVAKMSUJMTC-GOSISDBHSA-N 309.413 2.815 0 40 DFAB CS(=O)(=O)CCCN1C[C@H]2CCCC[C@@]21c1ccccc1 95415955 WRPDGIBPHFAQAK-IAGOWNOFSA-N 307.459 2.822 0 40 DFAB CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 95427147 FESOYRATLQSURL-HOTGVXAUSA-N 323.481 2.604 0 40 DFAB COc1ccc([C@H](NC(=O)[C@H]2CCO[C@@H]2C)C(F)(F)F)cc1 97055692 ZOSMXPILROVWAG-ICCXJUOJSA-N 317.307 2.840 0 40 DFAB COc1cccc(CN(C)C(=O)[C@@H](C)Oc2cccnc2)c1 72287244 KCJJPSFCMLHHNZ-CYBMUJFWSA-N 300.358 2.516 0 40 DFAB COCC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 98086219 XIHAMUCNKOFCHH-UHFFFAOYSA-N 303.333 2.667 0 40 DFAB O=C(C1CCN(C(=O)[C@H]2CCCS2)CC1)N1CCCCCC1 95962328 RYXCRGCRJMCLCW-OAHLLOKOSA-N 324.490 2.523 0 40 DFAB COC(=O)c1ccc(Cl)cc1OCc1nnc(C(C)C)n1C 95986679 OSHBABYMVGZOGN-UHFFFAOYSA-N 323.780 2.958 0 40 DFAB CC(C)(C)n1nc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1C1CC1 89761578 WIFFPPCPHXECQD-GOSISDBHSA-N 317.433 2.768 0 40 DFAB O=C(Nc1ccccn1)N(CCCO)[C@H]1CCc2ccccc21 89858116 SOVQUMCNCYBFLH-INIZCTEOSA-N 311.385 2.985 0 40 DFAB CCOc1ccccc1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 76021206 JLSSIWDYXSDAMR-BMFZPTHFSA-N 318.417 2.698 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)Oc1ccccc1 409184942 YZLAKQKOUYIGEV-UKRRQHHQSA-N 304.390 2.812 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)c1noc2c1CCCC2 20169087 LEBZFFCISAVKEG-UHFFFAOYSA-N 314.341 2.982 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1 306142607 XEIFMMLYWDASMN-MRXNPFEDSA-N 308.466 2.526 0 40 DFAB CCNC(=O)c1ccc(CN[C@@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)cc1 517024257 JZLKJYSMKLCWEE-KNCDZKKRSA-N 316.445 2.730 0 40 DFAB COc1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1 35442889 UGXSJTHYDJBEHL-AWEZNQCLSA-N 308.385 2.956 0 40 DFAB biogenic,in-vitro CSc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524734739 JGDCAPQWWJSGIF-CYBMUJFWSA-N 315.394 2.857 0 40 DFAB O=C(C1CCCC1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 72378509 FDEVTHLVIMNQGS-HNNXBMFYSA-N 311.389 2.516 0 40 DFAB COC(=O)[C@]1(C(=O)O)C[C@@H]1c1c(OC)ccc2ccccc12 217454157 SSMXSCDRERMABQ-SJKOYZFVSA-N 300.310 2.580 0 40 DFAB COC(=O)C[C@@H](C)SCc1nnc(Cc2ccccc2)o1 79358937 SSEVEIWYOZOENK-LLVKDONJSA-N 306.387 2.845 0 40 DFAB Cc1ccc(CNC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)o1 226749416 USHLDLCUYLXSRX-KRWDZBQOSA-N 316.332 2.927 0 40 DFAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)c1 224598453 PZYOFFWIIMVVKX-CQSZACIVSA-N 315.369 2.658 0 40 DFAB Cc1cc(C(=O)OCc2cnc(-c3ccco3)o2)cc(O)n1 195558036 ZBOXOGFBQPJLAE-UHFFFAOYSA-N 300.270 2.701 0 40 DFAB CCOC(=O)CCC(=O)c1ccccc1CN1CCSCC1 85651713 AUGJLHGRYYIFKT-UHFFFAOYSA-N 321.442 2.761 0 40 DFAB COc1ccc(Nc2nc(C(=O)OCC(C)=O)cs2)cc1 199408655 PKPQHFKZKDPADF-UHFFFAOYSA-N 306.343 2.641 0 40 DFAB Cc1ccc(CNC(=O)N2CCCC[C@H]2CCO)c(N(C)C)c1 195550457 VBKPLGHABTZOSM-INIZCTEOSA-N 319.449 2.508 0 40 DFAB Cc1cc2c(NC3CCC(Oc4cnccn4)CC3)nccn2n1 225489797 ZXKWMMBQYNHTEZ-UHFFFAOYSA-N 324.388 2.630 0 40 DFAB COc1c(NC(=O)Nc2cccc3cccnc23)c(C)nn1C 88347901 WFNAOSPGHSKWIU-UHFFFAOYSA-N 311.345 2.929 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96491584 SSPMQJCHIZMNKP-WCVJEAGWSA-N 317.495 2.527 0 40 DFAB O=C(Nc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 96422408 CXYVKRVKKQIDDS-ZDUSSCGKSA-N 306.431 2.605 0 40 DFAB C[C@H]1SCCN(CCN2CCCC2=O)[C@@H]1c1ccccc1 96411373 RQZXDLQVWDPTKJ-PBHICJAKSA-N 304.459 2.787 0 40 DFAB c1ccc2oc([C@@H]3CCCN(c4ncnc5[nH]cnc45)C3)nc2c1 96453453 CCRBTQSQTYMDIB-LLVKDONJSA-N 320.356 2.878 0 40 DFAB C[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H]1c1cccc(F)c1 96445564 MBFFZAUVBHQMTD-WBMJQRKESA-N 320.408 2.898 0 40 DFAB CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc(F)c2)c1 96423198 LWYUNNKFDQKUGJ-UHFFFAOYSA-N 315.348 2.849 0 40 DFAB CC(=O)c1c(C)cccc1NS(=O)(=O)c1cn(C(C)C)cn1 97103011 PYZQEJAGRTVUPL-UHFFFAOYSA-N 321.402 2.776 0 40 DFAB Cc1cnc(-c2cccc(NS(=O)(=O)CCOC(C)C)c2)o1 96452488 LJUVSEUJHFRQSU-UHFFFAOYSA-N 324.402 2.817 0 40 DFAB O=Cc1cc(Br)ccc1OCCC1OCCCO1 95731790 SNRWOXJNHGYKNS-UHFFFAOYSA-N 315.163 2.794 0 40 DFAB CCOc1c(F)cccc1C(=O)N(C)c1ccc(C(N)=O)cc1 96443104 SSMZSWFRTWNUIW-UHFFFAOYSA-N 316.332 2.600 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257216482 CURIKRCZFKDGBO-AWEZNQCLSA-N 313.405 2.783 0 40 DFAB O=C(c1ncccn1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257296375 RCOIXSLCLKFBLA-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@@H]1CCCc2ccccc21 44385401 XVGSAVQFYZWONF-CRAIPNDOSA-N 322.408 2.989 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc[n+]3[O-])C2)cc1 50768040 JGTODYWHWWTJPL-QGZVFWFLSA-N 310.397 2.723 0 40 DFAB Cc1cc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)nn1C(C)(C)C 55378157 UMSKQYRTBHDNMK-ZIAGYGMSSA-N 320.481 2.654 0 40 DFAB O=C(Nc1cccc(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 78057420 VIENCBIFYQNTHL-QGZVFWFLSA-N 314.360 2.665 0 40 DFAB Cc1noc(C)c1CS(=O)(=O)Cc1ccn(C2CCCC2)n1 89532396 DBRCFIFXDABZSA-UHFFFAOYSA-N 323.418 2.718 0 40 DFAB COc1ccc(Sc2nn3c(=O)cc(C)nc3s2)cc1 40083046 RKDQLDUUHPOOOL-UHFFFAOYSA-N 305.384 2.619 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1 77105132 GOQAJOHUPYPGJO-LBPRGKRZSA-N 307.337 2.549 0 40 DFAB O=C(c1cncc(Br)c1)N1CCC[C@H](CF)C1 711451659 KTUXHRSMSWZESX-SECBINFHSA-N 301.159 2.666 0 40 DFAB Cc1ccc(NC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 17042310 CCKGDQSDDFFFRB-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc(N)s1 78768672 AJJQQPXWIJWLNB-GFCCVEGCSA-N 308.451 2.659 0 40 DFAB Cc1ccc(NC(=O)NCc2ccnc(N(C)C)n2)cc1Cl 207980788 SZMIUDKCNZLYJH-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)(F)F)[nH]c1=O 106638239 LDJUDHZFLFBXLO-GUBZILKMSA-N 314.307 2.560 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 8412017 IKKJQIKBVARFRQ-IJEWVQPXSA-N 300.402 2.605 0 40 DFAB CCn1nccc1CN(C)C(=O)c1ccccc1Br 28219008 GTPZOXPKRHHYCL-UHFFFAOYSA-N 322.206 2.938 0 40 DFAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1cccc(F)c1 5153362 JKDYGSDPBQIOIG-UHFFFAOYSA-N 310.328 2.913 0 40 DFAB COc1ccc(OC)c2sc(N3CCC[C@@H](CO)C3)nc12 872387341 JMODEHYEKACWMC-SNVBAGLBSA-N 308.403 2.522 0 40 DFAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCc2ccccc21 40088047 CWDPESAKFIWILA-KRWDZBQOSA-N 310.328 2.908 0 40 DFAB CCN1C[C@H](CN(C)C(=O)c2ccoc2)Oc2ccccc21 40475732 XSSWINZMNJJZHW-AWEZNQCLSA-N 300.358 2.639 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)O)C1 20357931 XEXAQXOMAAQNNI-ZIAGYGMSSA-N 305.374 2.797 0 40 DFAB Cc1c(C(=O)N2CCOC[C@@H]2C)cnn1-c1ccc(Cl)cc1 40509692 HSFCIDWHTLVSDM-NSHDSACASA-N 319.792 2.695 0 40 DFAB CC(=O)c1ccc(NC(=O)CSC(=S)N2CCCC2)cc1 216817 KDTDBSRHGARCAV-UHFFFAOYSA-N 322.455 2.942 0 40 DFAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1 102179321 FRWKUMBGUCKZFC-HRCADAONSA-N 301.386 2.672 0 40 DFAB Cc1ccnc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 102182429 CUMWCGCUQNIJTE-XDQVBPFNSA-N 305.447 2.818 0 40 DFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc[nH]1 32788381 QEVHERDSTROSMZ-UHFFFAOYSA-N 311.385 2.571 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(NC(=O)C2CCC2)cc1 32776595 UINZBMVCPVQGIY-UHFFFAOYSA-N 300.280 2.717 0 40 DFAB Cn1ncc2c(O)nc(CN3CCC[C@@H]3C3CCCCC3)nc21 52830692 ZYRUAIWKGCVZBF-CQSZACIVSA-N 315.421 2.614 0 40 DFAB CN(Cc1ccccc1)C(=S)NC(=O)c1ccc(F)cc1 586877 DGDKCTXBPFRBJN-UHFFFAOYSA-N 302.374 2.972 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 84023 YLJVSWVYPHEUJM-HNNXBMFYSA-N 323.396 2.944 0 40 DFAB Cc1nnc(-c2cccc(Cn3nnc(-c4ccccc4)n3)c2)o1 128572 RDUZZHWJMBKKLC-UHFFFAOYSA-N 318.340 2.747 0 40 DFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 2771499 JIYIZZKQWJSONI-CVEARBPZSA-N 307.357 2.828 0 40 DFAB Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3c1nnn[nH]1 12375051 SLJHJUQLAZYSSV-SECBINFHSA-N 318.178 2.912 0 40 DFAB O=C(COC1CCCC1)NCc1cnn(Cc2ccccc2)c1 53339330 YTEOVTHPVADRMZ-UHFFFAOYSA-N 313.401 2.507 0 40 DFAB NC(=O)CN(Cc1coc(-c2ccc(F)cc2)n1)C1CCCC1 47274312 YHKVJGPSBKDGHC-UHFFFAOYSA-N 317.364 2.711 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NCc2cccnc2)C1 72291828 BMKCBXWQMLSVHH-AEFFLSMTSA-N 323.440 2.884 0 40 DFAB Cc1nc(-c2ccccc2NC(=O)N(C)C[C@H]2CCOC2)no1 78492249 BWTDXXSPBKTHQY-GFCCVEGCSA-N 316.361 2.545 0 40 DFAB COc1cc(OC)c(-c2nc3ccccc3c(=O)o2)cc1OC 1735374 AZIQHGZEMIEYPZ-UHFFFAOYSA-N 313.309 2.881 0 40 DFAB C[C@H](OC(=O)Cc1cccs1)C(=O)N1CCc2ccccc21 22702852 JQGZIISCKUCYJQ-LBPRGKRZSA-N 315.394 2.812 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cc(CC(C)C)on1 3909091 OERRPTRAVMPLLS-UHFFFAOYSA-N 302.330 2.912 0 40 DFAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@H]2CCCC[C@H]2C1 23233216 IPUSUODKXWCLMV-AEFFLSMTSA-N 324.428 2.979 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 104899677 AYONFQOYQDFLDD-OBJOEFQTSA-N 311.389 2.642 0 40 DFAB CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21 10338860 UYNYAGNHKFIVJH-UHFFFAOYSA-N 300.745 2.826 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCCCn1ccc2ccccc21 54119850 BJPGZKLNHVYEMK-UHFFFAOYSA-N 324.428 2.741 0 40 DFAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCCO1 47832605 FFJBFWCVWIRTBZ-NXEZZACHSA-N 301.358 2.741 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCC(=O)NCC1CCCCC1 8341987 HVNIDVLIIFKXSP-UHFFFAOYSA-N 324.808 2.514 0 40 DFAB O=C(NC1CCCCCCC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969180 RNKRUZLSCHQBQH-GASCZTMLSA-N 319.453 2.709 0 40 DFAB CC(C)[C@H](NC(=O)NC[C@H]1CCOC1)c1nc2ccccc2[nH]1 43104358 PIDLJYLBFLRKDT-DOMZBBRYSA-N 316.405 2.596 0 40 DFAB O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl 106060490 QNFDAYCWAKPLJO-SGMGOOAPSA-N 320.820 2.622 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2cscn2)CC1 25168277 MMWJZMHDHACKOL-UHFFFAOYSA-N 321.833 2.755 0 40 DFAB Cc1ccnc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 12523187 MCNKMXZLKOUPCX-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB COc1ccc(CNC(=O)N2CCC[C@H]2C2CCCC2)cn1 56827854 POIKLNJXCHNKDM-HNNXBMFYSA-N 303.406 2.954 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(F)c1 26378885 XSFKYZYQYNIBQA-DOMZBBRYSA-N 308.378 2.527 0 40 DFAB C[C@@H]1CC(NC[C@@H](O)c2cccc(OC(F)F)c2)C[C@@H](C)O1 108461900 SDSYJDMKPQEAPI-UEKVPHQBSA-N 315.360 2.867 0 40 DFAB 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O=C(NC[C@H](O)c1ccccc1)c1ccccc1-n1cccc1 20744731 FVPLQKVGXIVZKK-SFHVURJKSA-N 306.365 2.941 0 40 DFAB O=C(N[C@@H]1CCSC1=O)C(c1ccccc1)c1ccccc1 318393 OHQVBBHTUGGVNK-OAHLLOKOSA-N 311.406 2.967 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc(-c3coc(C)n3)cc2)no1 32776586 FINOYEPRGLCRJR-UHFFFAOYSA-N 313.313 2.964 0 40 DFAB Cc1noc(CCCC(=O)N2CCc3sccc3[C@H]2C)n1 46763926 PNTLMAWGCJSHGD-SNVBAGLBSA-N 305.403 2.908 0 40 DFAB O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1F 1238099 TVKPBMWVJLEOPJ-UHFFFAOYSA-N 321.381 2.658 0 40 DFAB O=C(Nc1cccc(-n2cccn2)c1)N[C@@H]1CCCC[C@H]1CO 78993323 OARSBKUZRXUKOS-XJKSGUPXSA-N 314.389 2.545 0 40 DFAB C[C@@H](OC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1F 79389871 VTXXMLJYMKYNGH-PWSUYJOCSA-N 323.339 2.828 0 40 DFAB CCN(CC)[C@H](CNC(=O)C1CCC1)c1cccc(OC)c1 22700522 KODPRJMXRVNXSZ-QGZVFWFLSA-N 304.434 2.994 0 40 DFAB CSc1ccccc1NC(=O)COC(=O)c1cccn1C 4564431 QCIYHJXOMFWCPB-UHFFFAOYSA-N 304.371 2.543 0 40 DFAB Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1ccco1 47665623 XMEPXMYQFFPOEH-CYBMUJFWSA-N 302.374 2.607 0 40 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2.524 0 40 DFAB Cc1nnc(CN2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 110659047 MAVKECPHGZIULR-WCQYABFASA-N 324.425 2.503 0 40 DFAB O=C(CCNC(=O)c1ccoc1)Nc1cc(Cl)ccc1F 36398124 HDVFVKQJDILCTL-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB Cn1c(=O)n(CC(=O)OC2CCCCCCC2)c2ccccc21 95348610 POSFSQGWWCJNJN-UHFFFAOYSA-N 316.401 2.996 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c1C 2623488 DLQKITNVXLVJOA-UHFFFAOYSA-N 324.490 2.635 0 40 DFAB CC(=O)NCCC(=O)Nc1nc2c(ccc3ccccc32)s1 2651100 SFVQVNMWXUDCAT-UHFFFAOYSA-N 313.382 2.914 0 40 DFAB Cn1nnnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 2619514 QUSSHDXGDVXMPN-OAHLLOKOSA-N 310.382 2.926 0 40 DFAB CCO[C@H]1C[C@@H](N(C)c2ncnc3c2cnn3C)C12CCCC2 71920906 JRJISUQLNQZRQF-KGLIPLIRSA-N 315.421 2.537 0 40 DFAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 13010839 YVLHURMJIMCWHN-MRXNPFEDSA-N 302.349 2.872 0 40 DFAB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1C 8988714 UEGKBSOMSYHFQQ-UHFFFAOYSA-N 307.296 2.960 0 40 DFAB COCCN1CN(Cc2ccco2)Cn2c1nc1ccccc12 8993618 GHEQRXSWOKDYDR-UHFFFAOYSA-N 312.373 2.513 0 40 DFAB O=C(O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 13166993 HSRXPQNBQBCCPE-UHFFFAOYSA-N 301.264 2.642 0 40 DFAB COc1cccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1 13132028 YXXBTVQYGFOBJH-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB CCc1noc([C@@H](C)N2CCN(CCc3cccs3)CC2)n1 64351745 HXALGOZIYPZKPK-CYBMUJFWSA-N 320.462 2.615 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccsc2)cc1Cl 13725038 FOGPCEUSULGDBO-UHFFFAOYSA-N 317.819 2.889 0 40 DFAB COc1ccc(-c2csc(CNC(=O)[C@@H]3CCCO3)n2)cc1 72265248 MJBIZJCALGITRW-AWEZNQCLSA-N 318.398 2.614 0 40 DFAB Cc1csc(NC(=O)CN2C(=O)CSc3ccccc32)n1 9690369 ZTEMUKLRYKEDSW-UHFFFAOYSA-N 319.411 2.529 0 40 DFAB COc1ccccc1NC(=O)NCCc1nccn1C(F)F 65591737 ARAUXCRWPPFSRR-UHFFFAOYSA-N 310.304 2.651 0 40 DFAB CC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O 9234841 DTIPHFNILFLLGZ-UHFFFAOYSA-N 310.353 2.978 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nn12 5884823 KHFPPBIPDRZVSY-UHFFFAOYSA-N 321.262 2.704 0 40 DFAB CO[C@@](C)(C(=O)Nc1cccc(C(N)=O)c1C)c1ccccc1 78606194 IBPKLJZUCFKKID-GOSISDBHSA-N 312.369 2.594 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c(O)c1 67822199 GEFZRCQJDGBCRI-UHFFFAOYSA-N 321.336 2.703 0 40 DFAB Cc1cc(=O)oc2cc(NC(=S)NC[C@@H]3CCCO3)ccc12 7561329 ZSKADGUUWYLFFT-LBPRGKRZSA-N 318.398 2.567 0 40 DFAB Cc1ccccc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 7609681 IAJCKXVXBGEDPB-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB Cc1cc(NC(=O)CN2CCC(Cc3ccccc3)CC2)no1 7788069 NRUCXMOHQWOOLJ-UHFFFAOYSA-N 313.401 2.876 0 40 DFAB CCc1ccc(CN2CCCN(c3nc(C)ns3)CC2)o1 93716867 HXAVIOJADNEBJD-UHFFFAOYSA-N 306.435 2.714 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CCOc1ccccc1F)C2=O 9835317 SOLPNBHONBAXHL-UHFFFAOYSA-N 320.364 2.705 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)c2nccs2)c1 68732987 NFQJNYVQDSQLRF-NSHDSACASA-N 304.371 2.776 0 40 DFAB O=C(NCCOc1ccc(Cl)cc1)c1cn2ccccc2n1 8280098 PRSLSFAMVARHAF-UHFFFAOYSA-N 315.760 2.797 0 40 DFAB Cc1nnc(CSc2nc3sc(C)c(C)c3c(=O)n2C)o1 24918413 NUCXBNGKWNPNSB-UHFFFAOYSA-N 322.415 2.596 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(OC)c1 17032251 WEIHXDUKNGPSFM-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)s1 69462223 BMDZEXSOKMVVSE-AWEZNQCLSA-N 322.474 2.989 0 40 DFAB Cc1cnn(C[C@@H]2CN(c3nc4ccccc4s3)CCO2)c1 69452260 YCWQSCFRXLLQPZ-ZDUSSCGKSA-N 314.414 2.707 0 40 DFAB O=C(NCCn1ccnc1)N1C[C@H]2CCCC[C@]21c1ccccc1 91531758 CDIYBKBJRDATLJ-MJGOQNOKSA-N 324.428 2.994 0 40 DFAB CCN(C)C(=O)c1ccc(I)c(F)c1 69520811 SHGMVBUOWHAHCX-UHFFFAOYSA-N 307.106 2.522 0 40 DFAB CC[C@@H](COc1ccccc1F)NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110681500 WRFWTXHVKRRZKZ-CQJJVWNLSA-N 322.380 2.602 0 40 DFAB CCCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@H](C)CC 69739835 ZHTBQFANQUWMLX-CYBMUJFWSA-N 317.437 2.711 0 40 DFAB Cn1ccnc1-c1nccn1-c1ccc(OC[C@H]2CCCO2)cc1 71762365 LRDLGMFMAVASEA-MRXNPFEDSA-N 324.384 2.831 0 40 DFAB CCCC(=O)NCC(=O)NCc1cccc(COC(C)(C)C)c1 69870616 DJUJQBWYVGRXIO-UHFFFAOYSA-N 320.433 2.534 0 40 DFAB Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccccc1 18194101 ADIRKPDEQQMDMC-UHFFFAOYSA-N 314.410 2.997 0 40 DFAB Cc1noc([C@@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)n1 96409859 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Cc1cc(S(=O)(=O)NCCSC(C)(C)C)ccc1F 225602700 BDTCNBIBNUILQQ-UHFFFAOYSA-N 305.440 2.944 0 40 DFAB CCN(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO 81629270 ZYXAEBFDFKOWML-ZIAGYGMSSA-N 305.422 2.815 0 40 DFAB COCCCC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227166832 DIQGFLNRWQQTOZ-UHFFFAOYSA-N 305.378 2.726 0 40 DFAB Cc1nc(C(=O)OC2(C3CC3)CC2)nn1-c1ccc(F)cc1 83770377 ZKIPINCFRZKRGE-UHFFFAOYSA-N 301.321 2.814 0 40 DFAB CSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2)s1 222751476 SSZQSFNSHOPVJW-VIFPVBQESA-N 309.416 2.974 0 40 DFAB O=C(Cc1ccccc1Cl)NCc1cnn2c1CCCC2 225610004 PUTSPJNWBXDJQG-UHFFFAOYSA-N 303.793 2.732 0 40 DFAB CCCNc1nc(-c2cccc(N)c2)ncc1C(=O)OCC 226103663 JJEJRVSNZCEHKJ-UHFFFAOYSA-N 300.362 2.724 0 40 DFAB CNC[C@H](OB(c1ccccc1)c1ccccc1)c1ccccc1 195757180 KTSYHMWGYLJGJN-NRFANRHFSA-N 315.225 2.770 0 40 DFAB CC(C)(C)[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(N)=O 195573550 OHUWUKAXCHOUKZ-AWEZNQCLSA-N 320.824 2.515 0 40 DFAB Cc1cccc(NC2CCN(C(=O)[C@H](C)c3cncnc3)CC2)c1 330353788 OVVIMYGPSNEGAZ-OAHLLOKOSA-N 324.428 2.992 0 40 DFAB Cc1noc(C)c1C[C@@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96492715 RPIVBVGZULTJTK-BXUZGUMPSA-N 323.437 2.821 0 40 DFAB Cc1cnc(N2CC[C@@]3(CCCN3Cc3cccc(C)n3)C2)nc1 96203076 NQXYRTBINYAEET-IBGZPJMESA-N 323.444 2.733 0 40 DFAB CC(C)C[C@@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccccn1 95438163 OZINEHLDGSOJPN-OIISXLGYSA-N 319.449 2.971 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccn(C(C)C)n1 96417817 DJPOAQSPAWELCU-ZIAGYGMSSA-N 310.467 2.937 0 40 DFAB Cc1cc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(C)o1 95416800 YSMZSPGBYLFLSX-MRXNPFEDSA-N 315.373 2.654 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)[C@@H]1CCOC1 97095067 ZVPZWWXQJYQPKB-LSDHHAIUSA-N 318.417 2.545 0 40 DFAB CCn1ccc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)n1 96192472 PXKMNSCALDHVPG-INIZCTEOSA-N 316.336 2.564 0 40 DFAB Cc1noc([C@H](C)N(C)C(=O)COc2cccc(Cl)c2C)n1 582854000 HSEVGGMTLSVZNK-JTQLQIEISA-N 323.780 2.938 0 40 DFAB O=C(COC(=O)Cc1ccsc1)N[C@@H]1CCc2ccccc21 95471791 CFAXVBNIEGZZHV-OAHLLOKOSA-N 315.394 2.638 0 40 DFAB C[C@@](NC(=O)C[C@@H]1C=CCC1)(C(N)=O)c1cccc(Cl)c1 96454810 JMCVBDSSHFNCJB-BZNIZROVSA-N 306.793 2.513 0 40 DFAB O=C(c1ccco1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96053881 MXGVQKXKPDNNAF-HUUCEWRRSA-N 314.360 2.623 0 40 DFAB CCN(C)[C@@H]1COC2(CCN(Cc3csc(C)n3)CC2)C1 96220797 NWMSHBOZLMHJEX-HNNXBMFYSA-N 309.479 2.527 0 40 DFAB CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccccc1C 96532195 HUMBOQADZWSCGG-UHFFFAOYSA-N 321.427 2.976 0 40 DFAB CN(C)CC[C@H]1CN(Cc2ccccc2F)Cc2cncn21 248140402 TZLPRRSMKIYKNC-HNNXBMFYSA-N 302.397 2.531 0 40 DFAB COCCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 85467944 DZZIHJQBBJJJDY-UHFFFAOYSA-N 312.413 2.680 0 40 DFAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NCc1ccccn1 253406939 VHLXTBATKMRSJB-LBPRGKRZSA-N 323.352 2.720 0 40 DFAB biogenic,in-vitro Cn1c(CN2CCC[C@@H](c3ccncn3)C2)nc2ccccc21 257244207 IKJNFSXUAACQRB-CQSZACIVSA-N 307.401 2.743 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C(C)C)nc3O)C2)n1 257210226 BTRRBVGMVKONRX-LBPRGKRZSA-N 314.389 2.572 0 40 DFAB O=C(CN1CCC[C@@H](O)C1)N(C1CCCCC1)C1CCCCC1 48615567 CPKOSHBOABAJLO-GOSISDBHSA-N 322.493 2.937 0 40 DFAB CCOc1ccccc1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 84810982 BSQWRCLTAZOFGU-GXTWGEPZSA-N 303.358 2.920 0 40 DFAB CNC(=O)c1cccc(NC(=O)[C@H]2CCOc3ccccc32)c1 76770470 JMRFNONKFNJXPJ-HNNXBMFYSA-N 310.353 2.551 0 40 DFAB Cc1c(Cl)cnn1C[C@@H](O)COc1cccc2[nH]ccc12 95974778 ZGCORDATWXOMGA-LLVKDONJSA-N 305.765 2.766 0 40 DFAB NC(=O)c1ccc(-c2ccc(I)cc2)o1 226301980 GHCUEUJSKCNQJW-UHFFFAOYSA-N 313.094 2.650 0 40 DFAB COc1ccc([C@H]2[C@@H]3C(C)=NN=C3C[C@@](C)(O)[C@@H]2C(C)=O)cc1 13142922 HDMQMOKRQPHFHG-XMTFNYHQSA-N 314.385 2.585 0 40 DFAB COc1cc(OC)cc(-n2c(S)nnc2-c2cccnc2)c1 13535103 YTTPWICCAFRYIB-UHFFFAOYSA-N 314.370 2.635 0 40 DFAB Cc1cc(NC(=O)[C@@H]2COc3ccccc3O2)n(C(C)C)n1 13656943 BWQOGJAZSBAWCJ-AWEZNQCLSA-N 301.346 2.551 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1C 15989015 GOQUZTFUPFRUMB-CWRNSKLLSA-N 318.417 2.649 0 40 DFAB Cc1nc(C)c(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]1 19937424 IDYQFCHKFOCIJT-UHFFFAOYSA-N 305.765 2.530 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)no1 4504998 WZVIUAANNJFKEC-GFCCVEGCSA-N 305.721 2.768 0 40 DFAB COCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164810 KHPLDLBFUUOXIH-UHFFFAOYSA-N 304.390 2.597 0 40 DFAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H](C)C(C)C 3512912 RGWLHEAWYCKITP-SNVBAGLBSA-N 313.781 2.666 0 40 DFAB CC(C)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840228 JMTDVYRRCZZLAX-SFHVURJKSA-N 320.408 2.822 0 40 DFAB Cc1nsc(N2CCN(Cc3cc(F)cc(F)c3)[C@@H](C)C2)n1 2086934285 MOZSEJSCWXKCCS-JTQLQIEISA-N 324.400 2.835 0 40 DFAB CC1CCC(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)CC1 1565543435 CWAXXUGAFXYMAI-GFTQOHIISA-N 318.461 2.720 0 40 DFAB Cc1ccc2cc(CCNC(=O)Cc3ccccc3)c(=O)[nH]c2c1 3911690 GCDYLAQSEFHDSQ-UHFFFAOYSA-N 320.392 2.738 0 40 DFAB CCCCN(c1ccccc1)S(=O)(=O)c1cn(C)nc1C 11923713 QSWMVGCRXFWBKQ-UHFFFAOYSA-N 307.419 2.724 0 40 DFAB COc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19863487 YQPUFPQQFMWFOH-UHFFFAOYSA-N 324.424 2.582 0 40 DFAB COC(=O)c1ccc(CSc2cc(N3CCCC3)ncn2)o1 36708493 ZPYRJTUIKPKYDR-UHFFFAOYSA-N 319.386 2.749 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)CCc2cscn2)C12CCCC2 96432535 KLSSTIXKVYUHMR-KGLIPLIRSA-N 308.447 2.930 0 40 DFAB CC(C)CN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)C 31582281 SFKAMGVQAZWGOL-UHFFFAOYSA-N 319.449 2.693 0 40 DFAB CC(C)c1noc(CCCC(=O)NCc2ccc(F)cc2)n1 40515702 WQCATLMUYXIUJP-UHFFFAOYSA-N 305.353 2.971 0 40 DFAB CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)ncnc2s1 31850021 MCWCIMVQMDTBJJ-UHFFFAOYSA-N 318.446 2.558 0 40 DFAB CCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20719869 UQCFSIJEZWBXCC-OAHLLOKOSA-N 321.808 2.585 0 40 DFAB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 101659880 RMYSTDIXJHARRL-YBEGLDIGSA-N 308.337 2.794 0 40 DFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCCCC1 32794973 BHHCSGPVOCFRMN-INIZCTEOSA-N 312.413 2.541 0 40 DFAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc[nH]c1=O 32845548 GMYCVLVLBKEXMT-GFCCVEGCSA-N 320.801 2.995 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NCCC(=O)Nc2ccccn2)C1(C)C 52969142 DFPACSAVIAYNAB-BBRMVZONSA-N 315.417 2.765 0 40 DFAB O=C(CCC1CCCC1)OCc1cc(=O)n2ccccc2n1 61398106 MUEAKEZWHGJZSC-UHFFFAOYSA-N 300.358 2.708 0 40 DFAB C[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)c2ccccc2S1 22258011 XCAFYMRQBDFSIQ-NSHDSACASA-N 317.414 2.512 0 40 DFAB Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]2O)ccc1N1CCCC1 78936600 ZWZDDZQELDEXEF-WMLDXEAASA-N 317.433 2.878 0 40 DFAB CO[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cncn3)cc2C)C1 78948118 AMSVAMKEOZRMKA-GJZGRUSLSA-N 315.373 2.690 0 40 DFAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 2657520 LHFPRYHFMPGNEV-UHFFFAOYSA-N 323.304 2.936 0 40 DFAB N[C@H]1N=C(c2ccccc2F)c2ccc(Cl)cc2NC1=O 4202408 JTNDGYNEXPKZGM-AWEZNQCLSA-N 303.724 2.553 0 40 DFAB NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 6496338 WNGVIJUXGSPRPD-OQLLNIDSSA-N 311.362 2.880 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 25578289 LQNDGMNIBVMGLT-UHFFFAOYSA-N 324.302 2.974 0 40 DFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)n1ccnc1 56482461 KUFJEQQTMQDGKQ-CHWSQXEVSA-N 314.389 2.611 0 40 DFAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 3278059 FSUHFQWXNRHQLC-JTQLQIEISA-N 322.213 2.930 0 40 DFAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(F)cc1 3254898 OXTGEZCSVYLISQ-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccs1 3252607 VNGXKEANYZLWEY-ZDUSSCGKSA-N 314.366 2.655 0 40 DFAB CCc1ccc(OCC(=O)NCCN(C)c2ccccc2)cc1 24241763 OCJXILUVIBQNNV-UHFFFAOYSA-N 312.413 2.880 0 40 DFAB O=C(NC1CC1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 58093386 BGOXPXCJTVWOEM-JKSUJKDBSA-N 312.413 2.661 0 40 DFAB Cc1ccc([C@@H](NCC(=O)NC(=O)NC(C)(C)C)C2CC2)cc1 12789448 DUJNGKQTCGAXRU-MRXNPFEDSA-N 317.433 2.660 0 40 DFAB O=C(Nc1ccccc1Cl)c1ccc(N2CCOCC2)nc1 12747024 MFYQBQYGZGOXNL-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB COc1cc(CNC(=O)NCC2(c3ccccc3)CC2)ccn1 45124319 VTZLEMZXNQAQBS-UHFFFAOYSA-N 311.385 2.621 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 118930984 ACXNWFRSEGWJGF-NSKJHBLRSA-N 306.446 2.930 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(F)c1 3316982 QBYQPNXVCPMJRG-LBPRGKRZSA-N 313.328 2.960 0 40 DFAB Cc1n[nH]c2ncc(CNC[C@@H](O)c3ccc(Cl)cc3)cc12 48345912 KLMYJKRNRRSIFB-OAHLLOKOSA-N 316.792 2.743 0 40 DFAB CCc1ccc(-c2nc(C)c(/C(O)=N/S(C)(=O)=O)s2)cc1 48480151 LDRHLFHTSALVQT-UHFFFAOYSA-N 324.427 2.945 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)c1 71185980 RNFSUGXHLPZXLT-ZDUSSCGKSA-N 304.419 2.742 0 40 DFAB Cc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 4682179 IMCFFOZBZHZQFV-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB c1ccc(-n2ncc3c(NCCc4ccccn4)ncnc32)cc1 9220888 NGMMZNOOKZHFQO-UHFFFAOYSA-N 316.368 2.865 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2cnccn2)C1 6747244 DJYNISJHTBZJKX-LBPRGKRZSA-N 316.792 2.985 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O 4975543 WPCOEPJKYMRFDT-INIZCTEOSA-N 320.392 2.937 0 40 DFAB Cn1c(SCc2cc(=O)n3ccccc3n2)nc2ccccc21 9319168 XBFDMVUWLIYUEB-UHFFFAOYSA-N 322.393 2.874 0 40 DFAB C[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 7109046 UUTSHZXBGNGRFC-MRVPVSSYSA-N 316.184 2.746 0 40 DFAB OCc1ccc(CN2CCC[C@@H](Oc3ccc(Cl)cn3)C2)o1 93769836 VVLFBVAHEDXCLL-CYBMUJFWSA-N 322.792 2.864 0 40 DFAB Cc1ccc(NC(=O)C[C@H](C)NC2CCC(O)CC2)c(C)c1 8395490 APPXLRHZVMSJNB-FHERZECASA-N 304.434 2.914 0 40 DFAB CCCc1nnc2sc(COc3ccc(OC)cc3)nn12 8392278 MDHQBUBHIRREAO-UHFFFAOYSA-N 304.375 2.726 0 40 DFAB C[C@@H](CCNC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 69454761 WOSLQXFBIOKULC-AWEZNQCLSA-N 304.434 2.849 0 40 DFAB Cc1ccc(N2CC[C@@H](C(=O)N(C)CC3CC3)C2=O)cc1C 84180593 UILCDVKXBAJQJN-INIZCTEOSA-N 300.402 2.525 0 40 DFAB COc1ccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2ccccc2C)cc1 69566997 RVBFNARMDJUHIS-WBVHZDCISA-N 324.380 2.614 0 40 DFAB CCOCCN(C)Cc1cnc2ccc(Br)cn12 97051163 OKDCUZDHZSKLID-UHFFFAOYSA-N 312.211 2.565 0 40 DFAB Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccccc3)c2c1 8684345 QARVEKZNRWLUES-UHFFFAOYSA-N 321.332 2.876 0 40 DFAB Cn1nncc1CN1CCC[C@@H](Sc2ccc(F)cc2F)C1 97032752 GTMOAIJIIZXUII-CYBMUJFWSA-N 324.400 2.850 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1cccnc1 71843964 AJCIBHBOXQXYHW-OKILXGFUSA-N 313.401 2.739 0 40 DFAB Cc1ccc(S(=O)(=O)N2CC(Cc3cccc(F)c3)C2)cc1 71924159 JRVJOAOOCVOURE-UHFFFAOYSA-N 319.401 2.997 0 40 DFAB in-vitro Fc1cccc(Cc2nnc(SCCC3OCCO3)o2)c1 97094701 QYRVLBDRHRZGCW-UHFFFAOYSA-N 310.350 2.655 0 40 DFAB CCCOc1cc(C)ccc1CNC(=O)N1CC[C@@H]([C@@H](C)O)C1 97108018 ZMCOSSTVTWTBBD-GDBMZVCRSA-N 320.433 2.696 0 40 DFAB COc1ccccc1NC(=O)c1ccc2c(N(C)C)ncnc2c1 95404080 CWUUUAFNNVJANM-UHFFFAOYSA-N 322.368 2.957 0 40 DFAB C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC[C@@H]1CCCO1 95455522 RVKAAPYDKZVRKU-MCIONIFRSA-N 300.443 2.837 0 40 DFAB Cc1nc(C)n(CCc2cc(Cl)c3c(c2)OCCCO3)n1 95986597 RGAPLXYDKKAJTK-UHFFFAOYSA-N 307.781 2.952 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)N2CCCCCC2)c1 75128219 FLNLRVWVAIBKIN-UHFFFAOYSA-N 319.405 2.609 0 40 DFAB Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c(=O)[nH]1 75122007 SJMUAXNUHJPUJD-INIZCTEOSA-N 311.385 2.836 0 40 DFAB COCCOc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1 75108107 ZIWUXDWTZPZJEN-GFCCVEGCSA-N 307.394 2.759 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1c1cc(-n2ccnc2)ncn1 75109648 AZADGNMAWMHHAF-CQSZACIVSA-N 320.400 2.507 0 40 DFAB Cc1ccc(NC(=O)NC[C@H]2CN(C3CC3)CCO2)cc1Cl 89643352 ZPFJOTVUTHCUMO-AWEZNQCLSA-N 323.824 2.633 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cccn2)C1 89894274 LVBPGRBWYUDDDR-LSDHHAIUSA-N 322.453 2.508 0 40 DFAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F 76091043 BXWMMWLWJMWUDS-SECBINFHSA-N 301.264 2.921 0 40 DFAB CCCn1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616231 MAWRZASJSNDAHQ-UHFFFAOYSA-N 324.388 2.705 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)c1 36635383 JJQRLBBOEXGSIC-HNNXBMFYSA-N 310.353 2.748 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 72238290 JJKDTBRDBVKKJQ-FUHWJXTLSA-N 314.429 2.917 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@H]1c1cccc(F)c1 72241972 ZVCVGJCCWPUUHV-DOTOQJQBSA-N 318.392 2.748 0 40 DFAB C[C@](O)(CNC(=O)CSc1ccc(F)cc1)c1ccco1 75156222 VJFWZEVEZIZJJE-HNNXBMFYSA-N 309.362 2.535 0 40 DFAB C[C@@H](Cc1ccccc1F)NC1CCN(C[C@H]2CCOC2)CC1 188037743 ULQKLXBNQFWOSW-JKSUJKDBSA-N 320.452 2.847 0 40 DFAB COC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 72326991 GJCTYLNZVFYEJY-IBKQYLNMSA-N 314.385 2.538 0 40 DFAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@H]1CCCO1 79043351 BFVHEKFYLTUQHC-ZYHUDNBSSA-N 315.772 2.932 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)NCc2ccc(F)cc2)n1 72240426 LZQWJTIIDMMFIO-UHFFFAOYSA-N 316.380 2.700 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccc(F)cc1 32912600 IGSILLHWRGJZDV-CQSZACIVSA-N 304.321 2.689 0 40 DFAB CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCOc2ccccc21 75124771 QLJWJKDEKRVGGV-CRAIPNDOSA-N 305.418 2.856 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2C)c(=O)[nH]1 189844913 LWHGMHYFFROCNC-UHFFFAOYSA-N 324.302 2.941 0 40 DFAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccco1 225584551 NXEPSIYOAVXQEX-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB CCCCc1noc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 46087224 ZAMPNJDRMZEYGL-QWHCGFSZSA-N 307.394 2.645 0 40 DFAB COc1ccc(-c2ncc(C(=O)NCc3ccco3)c(C)n2)cc1 222575836 OIJVPPFSWHLCEQ-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@@H](Oc2cnccn2)C1 225476046 VEURELOVIWSWKY-LLVKDONJSA-N 304.375 2.613 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C(=O)O)C(C)C 225467147 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O=C(C[C@H]1C=CCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042097 OYOHENOATOXUMV-OWIUFQIYSA-N 305.418 2.528 0 40 DFAB COc1cccc2c1CCN(C(=O)NCc1nc(C)c(C)o1)C2 96501290 KRFPAUZKJPYRFA-UHFFFAOYSA-N 315.373 2.568 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2nccnc2-c2ncc[nH]2)CC1 257325457 WSZRKTFYFZIHFQ-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@H](c2ccn[nH]2)C1 257252996 JXCYMGHMLYGCDU-QGZVFWFLSA-N 309.413 2.847 0 40 DFAB CCCn1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)n1 257286125 PKKDAZZYHOTCLE-LBPRGKRZSA-N 304.419 2.769 0 40 DFAB Cc1nccc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 257309602 UBOSDNDINDEVLS-CYBMUJFWSA-N 316.430 2.878 0 40 DFAB COc1ccccc1C(=O)c1cc(OC)c(OC)c(OC)c1 95917139 LJULMYXOWWWBGW-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccoc1)c1ccco1 390827381 XGIYKDSAFUXULA-CSHXORCISA-N 323.348 2.938 0 40 DFAB O=C(NC[C@H]1CCCCN1CCC1(O)CCC1)c1ccccc1 663039430 GWWQXIUSGPFYAC-QGZVFWFLSA-N 316.445 2.576 0 40 DFAB Cc1cc2n(n1)C[C@H](CN[C@@H]1CCCOc3ccccc31)CN2 65593730 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in-man CN(C)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c1 12222363 QFDWUVWASQLJNV-RBUKOAKNSA-N 324.424 2.743 0 40 DFAB Fc1ccc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 1888906389 DEHCSNDQHSEQPS-CYBMUJFWSA-N 313.336 2.888 0 40 DFAB O=C(Cn1cccc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245015254 LTEYVRSFCYYCIZ-MRXNPFEDSA-N 321.380 2.716 0 40 DFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 2087130518 MUGQFVQQPRTHCA-AWEZNQCLSA-N 316.449 2.827 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(-c3cccs3)o2)no1 2720357 CJWATUJAECXTQZ-UHFFFAOYSA-N 322.371 2.825 0 40 DFAB C[C@]1(C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)CC=CCC1 2055815414 KGWPTINWCHWKOB-SNRMKQJTSA-N 316.445 2.640 0 40 DFAB COc1cccc2cc(C(=O)NC[C@@]3(O)C=CCCC3)oc12 606440400 LCHJJOYVIIAHNE-QGZVFWFLSA-N 301.342 2.642 0 40 DFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Oc2ccccc2)c1 13074085 TUVLQQQXYGIRNA-UHFFFAOYSA-N 312.730 2.806 0 40 DFAB Cc1csc(NC(=O)/C=C/c2cnn(-c3ccccc3)n2)n1 31674162 DAHNBILONIEBEW-BQYQJAHWSA-N 311.370 2.684 0 40 DFAB O=c1[nH]ncc(NCCc2c[nH]c3cc(F)ccc23)c1Cl 50952935 DOUHBDOPJIVWFQ-UHFFFAOYSA-N 306.728 2.698 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 40513413 OUHULQZUXWVGAX-SNVBAGLBSA-N 322.771 2.627 0 40 DFAB Cc1ccc2c(c1)[C@@]1(CC(O)=Nc3[nH]ncc31)C(=O)N2CC(C)C 31809045 NIHUCAIHJHPPBB-GOSISDBHSA-N 324.384 2.999 0 40 DFAB Nc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 21017398 UCUJPTFAXYXFIC-UHFFFAOYSA-N 300.742 2.862 0 40 DFAB O=C(NCc1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1 12390954 KEIMLSXJWLCKMT-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 47287889 BODXLZFRXUNKQO-AWEZNQCLSA-N 303.362 2.884 0 40 DFAB COc1cccc(OC)c1OCC(=O)NC1CCC(C)CC1 22314752 ZJOALZSNMBZWRN-UHFFFAOYSA-N 307.390 2.778 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1cnn(CC(C)C)c1 78938222 GHLBZNAADRDKNY-HNNXBMFYSA-N 308.426 2.818 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncnc3ccccc23)C1 79387635 LVMVFEYNINGLBE-GFCCVEGCSA-N 314.389 2.733 0 40 DFAB Cn1c(C(=O)OCC(=O)NC2CCCCC2)cc2sccc21 4967061 YAASXOAACODLPW-UHFFFAOYSA-N 320.414 2.846 0 40 DFAB COc1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1 819236 NGXKHCCRSQVAOH-UHFFFAOYSA-N 316.445 2.966 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 8132783 LDDQOJOMHWLGPI-MAUKXSAKSA-N 324.424 2.942 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cnsn2)cc1OC 47623885 HHMWUVSEDRORNJ-GFCCVEGCSA-N 319.386 2.533 0 40 DFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)c(N)c1 20343808 SYBQHNOWIKAIKP-UHFFFAOYSA-N 306.749 2.948 0 40 DFAB CCOc1ccc(CC(=O)Nc2nc(C(C)=O)cs2)cc1 25256310 DGNMUAWSUXWKOM-UHFFFAOYSA-N 304.371 2.926 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccncc1 72287991 DVMIKXCQIHWHGN-HUUCEWRRSA-N 305.422 2.722 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1C 9526601 XYXFZWAZVKAQGR-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC=CCC1 57313449 XTDFEKZBQKXVKH-INIZCTEOSA-N 300.402 2.508 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@@H]2CC[C@]1(C)C2(C)C 103635460 COPNRBGCMYZHMV-MJSCVDMRSA-N 310.482 2.804 0 40 DFAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N1CCOCC1 12542187 NLVGSJIMKJWCCL-ZDUSSCGKSA-N 310.397 2.598 0 40 DFAB CC(C)(C)[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2nnc[nH]2)no1 108491749 GRXKYMHHSPESTM-BJDJZHNGSA-N 316.409 2.720 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 57829745 QFVJGAPKZCZVBQ-DOMZBBRYSA-N 306.381 2.604 0 40 DFAB CCN(CC)c1ccc(C(=O)NCc2nc(C3CC3)no2)cc1 58289423 UAVJMSQOKIRJKL-UHFFFAOYSA-N 314.389 2.723 0 40 DFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)C1CC1 58228308 KOBJBNOYIXEWJA-DLBZAZTESA-N 314.429 2.697 0 40 DFAB CCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2132422 JAMUAKBPEKPDLM-GWCFXTLKSA-N 307.346 2.850 0 40 DFAB biogenic Cc1sc2nc([C@H](C)OC(=O)[C@@H]3C[C@H]3C)[nH]c(=O)c2c1C 12680302 FDIJDPOLVAILGS-KDILMLJESA-N 306.387 2.862 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2ccccc2n1 44973655 HHMYVMFZNKAECH-LLVKDONJSA-N 309.325 2.585 0 40 DFAB CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 12615071 OWSHLEVIUVTQDM-NSHDSACASA-N 302.330 2.729 0 40 DFAB CSc1nc2n(n1)[C@@H](/C=C/c1ccccc1)C=C(C(=O)O)N2 102334279 WVCSEPXOAATOFI-AEZGRPFRSA-N 314.370 2.649 0 40 DFAB CNC(=O)c1ccc(CN(C)c2nc(-c3ccccc3)no2)cc1 58407226 SHHNYZQYGACEQP-UHFFFAOYSA-N 322.368 2.733 0 40 DFAB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)OCCCO2 11689742 CSZJWHJKYWIWHJ-UHFFFAOYSA-N 313.309 2.798 0 40 DFAB Nc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(F)cc1 11692191 QADKBFNNTXUNHN-UHFFFAOYSA-N 302.353 2.656 0 40 DFAB COc1ncccc1C(=O)N[C@H](C)COc1ccc(F)cc1F 60014073 YSXCDGMBOMNSGB-SNVBAGLBSA-N 322.311 2.566 0 40 DFAB CCCc1noc(CCC(=O)Nc2ccc(NC(C)=O)cc2)n1 12730738 ZRNMIPONBDUWBQ-UHFFFAOYSA-N 316.361 2.552 0 40 DFAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC(n2cccc2)CC1 60451694 ZYWKNUJHOHYAGG-GOSISDBHSA-N 323.396 2.845 0 40 DFAB NC(=O)[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 12049105 OLVGGFACHCEFCR-HNNXBMFYSA-N 314.410 2.583 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)s1 3384766 RCXHLQWLYVOCAO-UHFFFAOYSA-N 301.367 2.803 0 40 DFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C)o1 3339664 CQVIVHZGXQRSIO-UHFFFAOYSA-N 318.348 2.506 0 40 DFAB O=C(COC(=O)c1cccc(O)c1)NCc1ccccc1Cl 3511187 OSEIOOYNVMJCHQ-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915980 CKMGLEBSWKRKEV-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccc(C)o2)C1 71185475 PSOHMIIJEUQUTP-FEAKQIBJSA-N 318.417 2.756 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 6145063 SDNDFXUSMLLOMH-MRXNPFEDSA-N 304.340 2.998 0 40 DFAB C[C@@H](O)CN(C)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010646 WFOHSOMBJSIKQJ-CYBMUJFWSA-N 324.384 2.870 0 40 DFAB CCC[C@@H]1NC(=O)N(Cc2cccc(Br)c2)C1=O 14162817 IBXZMWVSXJEGKZ-NSHDSACASA-N 311.179 2.670 0 40 DFAB Cc1nc([C@@H]2CN(C(=O)c3cccc4ccccc34)CCO2)no1 96000735 JYMLXCPKIJQKGY-INIZCTEOSA-N 323.352 2.745 0 40 DFAB COc1ncccc1C(=O)N1CCCCC[C@H]1c1noc(C)n1 96001139 JJTHTJSLYYGZQN-ZDUSSCGKSA-N 316.361 2.539 0 40 DFAB COCCn1cc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cn1 72302942 MIEUPINZYXOSOH-XJKSGUPXSA-N 314.389 2.754 0 40 DFAB CCOC[C@@H]1CCN(C(=O)Nc2ccc(C)c3cn[nH]c23)C1 97212795 BZJZDWCSKHCLGN-GFCCVEGCSA-N 302.378 2.762 0 40 DFAB Cc1ccc(Nc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 4615156 AZOOZLLJQYUSSC-UHFFFAOYSA-N 315.402 2.896 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccncc3)no2)CN1c1ccc(F)cc1 9318149 YOOZWILQTGFGCH-GFCCVEGCSA-N 324.315 2.791 0 40 DFAB O=C(Cc1cn2ccsc2n1)N[C@@H]1C[C@H]1c1cccc(F)c1 67091831 ITUAISHWYVIIPQ-UONOGXRCSA-N 315.373 2.750 0 40 DFAB Nc1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)s1 7414834 IZSOABOJYMRBQA-UHFFFAOYSA-N 310.448 2.661 0 40 DFAB CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 95413253 ZQMLOSIPGVRJOR-IIAWOOMASA-N 317.433 2.536 0 40 DFAB CN1[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)on1)CC2 71776597 DCRLQGNZWPEHQH-LSDHHAIUSA-N 311.385 2.650 0 40 DFAB C[C@@H](NC(=O)Nc1cccnc1)[C@H](O)c1c(F)cccc1F 95403835 XZBGEACGRXXAKA-OTYXRUKQSA-N 307.300 2.603 0 40 DFAB c1ccc(-c2nc(CN[C@H]3CCc4ncnn4C3)cs2)cc1 69459906 VRRAZFAFMKMRCO-ZDUSSCGKSA-N 311.414 2.506 0 40 DFAB O=C(c1cc(Br)cs1)N1CCO[C@@H]2CCC[C@H]21 71835043 GCVCTEWJKMHBLD-NXEZZACHSA-N 316.220 2.904 0 40 DFAB COc1cccc(-c2nsc(NC(=O)CCOC(C)C)n2)c1 69631355 QTIINBYORYKSPY-UHFFFAOYSA-N 321.402 2.967 0 40 DFAB COc1cccc2cc(C(=O)NCCN3CCCCC3)oc12 76380558 WQQZZJIYPDULNR-UHFFFAOYSA-N 302.374 2.657 0 40 DFAB COc1ccccc1NC(=O)c1ncn(-c2ccc(C)cc2)n1 19910684 IQZLTUXZYFNIGB-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2cc(C(=O)OC)c(C)o2)n1 18207899 WQMLMZZZCFOITN-UHFFFAOYSA-N 322.386 2.703 0 40 DFAB Cc1ncccc1C(=O)Nc1cc(NC(N)=O)ccc1Cl 95394063 CPNIBFRKJVIUSD-UHFFFAOYSA-N 304.737 2.786 0 40 DFAB CS(=O)(=O)c1ccccc1N[C@H]1CCN(C2CCCC2)C1 83990010 VZCHLUGDUOLIRE-ZDUSSCGKSA-N 308.447 2.519 0 40 DFAB CCC1(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CCC1 84158261 HBDBOQGVUZBPGU-AWEZNQCLSA-N 319.453 2.801 0 40 DFAB COc1cc(F)ccc1NC(=O)N(CCO)C1CCCCC1 97049397 KDJSVBNSDNMTBV-UHFFFAOYSA-N 310.369 2.993 0 40 DFAB c1ccc2c(c1)C[C@H](CN[C@@H]1CC[C@H]3SCCS[C@H]13)O2 95460380 FHHLXYLWJVJGFG-RRCSTGOVSA-N 307.484 2.959 0 40 DFAB CC[C@H](C)[C@H](NC(=O)C[C@@H](C)c1ccccc1OC)C(=O)O 95424771 UHOARNDMTODHPN-OZVIIMIRSA-N 307.390 2.804 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC)cc2)c1C 9909437 VXFBZSHBDJXXGI-UHFFFAOYSA-N 302.330 2.679 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)s1 75103809 BTTHJAHUCIGRRI-ZIAGYGMSSA-N 323.462 2.510 0 40 DFAB O=C(Nc1cnccc1-n1ccnc1)c1cc(F)ccc1F 75141158 IPJPMFIMGFKKBA-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB COc1ccccc1CC(=O)N[C@H](C)C[C@@H](O)c1ccccc1 89894965 SOKJJMORRBSDJD-RHSMWYFYSA-N 313.397 2.866 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cccc2cccnc12 89949067 INDLXHMFAPDPHR-CRAIPNDOSA-N 311.429 2.971 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2S1 89941246 TYXPUHLKDVNWKW-LLVKDONJSA-N 300.383 2.526 0 40 DFAB Cc1ccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1 67261952 LAQLURCBJTWMPM-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB CCCC1=NN(C(=O)c2ccc(N)cc2)[C@@](O)(C(F)(F)F)C1 408739495 WVPXNHPXRZAXMS-ZDUSSCGKSA-N 315.295 2.522 0 40 DFAB COC(=O)c1cc(C(F)(F)F)nn1Cc1ccc(F)cc1 408717741 REHKPLGDGHJXPC-UHFFFAOYSA-N 302.227 2.876 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 408718792 KAKLRUSPUOWREX-GVAFMPQTSA-N 303.745 2.563 0 40 DFAB Cc1ccccc1OCCCC(=O)N(C)CC(=O)NC(C)(C)C 22881808 FNMFNADMRICTBX-UHFFFAOYSA-N 320.433 2.527 0 40 DFAB O=C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@H]2C[C@@H]2C1 408497090 IKGXUSBZGQSFKO-DJLDLDEBSA-N 319.835 2.643 0 40 DFAB COCCNC(=O)c1oc2ccc(Br)cc2c1C 14238616 LYUKDSNVVGTAKU-UHFFFAOYSA-N 312.163 2.880 0 40 DFAB CCC[C@@H](NC(=O)[C@@H](C)N1CCCN(C)CC1)c1ccccc1 39985818 YLHZVARDQNVXEW-SJLPKXTDSA-N 317.477 2.670 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 79036819 VBNHAIPEALNRMD-VMPITWQZSA-N 323.396 2.810 0 40 DFAB O=C1N=C(O)/C(=C\c2cccc(F)c2)C(=O)N1Cc1ccco1 33758709 AHUDNKYALNAUMN-MDWZMJQESA-N 314.272 2.921 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)Nc2cc(F)ccc2F)c1 72331157 CYNHCOBFNLMPSV-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB Cc1ncsc1CCSc1nnnn1-c1cccc(F)c1 77910649 HFKJWCNOCGIZKE-UHFFFAOYSA-N 321.406 2.901 0 40 DFAB CC(C)(C)OC(=O)N1[C@@H]([C@](C)(O)C(F)(F)F)COC1(C)C 72208813 LMDJIELGQVMKHL-PELKAZGASA-N 313.316 2.672 0 40 DFAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccncc2)n1 41184297 TUEWRJVKVIXEFO-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB C[C@]1(C(=O)NCCc2ccco2)CC(c2cccs2)=NO1 226747647 DBQLBQXMQXEGME-OAHLLOKOSA-N 304.371 2.583 0 40 DFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3[nH]ccc3c1)C2=O 40162874 ULUJVCWYIXGMKJ-UHFFFAOYSA-N 306.277 2.667 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)CCC2CCCC2)C[C@H](C)O1 40047421 YGCAMBKYOPHVMC-GJZGRUSLSA-N 310.482 2.961 0 40 DFAB CON(C)C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 134717761 AMDPGQSIHHYBNG-UHFFFAOYSA-N 320.295 2.590 0 40 DFAB CN1C(=O)c2ccccc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 514289248 GRHCSSIMYNMYIG-ZBFHGGJFSA-N 302.418 2.640 0 40 DFAB biogenic,in-vitro Cc1cc(NC(=O)CCN2CCCC[C@H]2c2nccs2)no1 195362145 JWICNLKBYOIRNK-LBPRGKRZSA-N 320.418 2.995 0 40 DFAB COCCOC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 96431800 BIGCMXMMFDXFAZ-SNVBAGLBSA-N 303.811 2.527 0 40 DFAB c1cncc(O[C@@H]2COC3(CCN(Cc4ccco4)CC3)C2)c1 96047883 XTJSZLRCDGHMSV-KRWDZBQOSA-N 314.385 2.877 0 40 DFAB O=C(N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)cn1 95445725 MPNLEPOSJXYMJD-AWEZNQCLSA-N 304.777 2.979 0 40 DFAB Cc1ccc([C@@H]2CCCCCN2C(=O)CN2CSCC2=O)o1 96414193 QBPWWIXJUDBOJO-ZDUSSCGKSA-N 322.430 2.565 0 40 DFAB Cn1nnc(-c2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)n1 95472490 GEPYVJHVJFBBSF-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB O=C(CSC1CCCC1)N1CCC(Oc2cnccn2)CC1 90677840 SLPFXTHNWYTOIQ-UHFFFAOYSA-N 321.446 2.522 0 40 DFAB c1cncc(CO[C@H]2CN(Cc3ccco3)[C@@H]3CCCO[C@H]23)c1 96187119 AQUSVBQJHPREDM-SQNIBIBYSA-N 314.385 2.623 0 40 DFAB CCSc1ccccc1C(=O)N1CC(Nc2ncccn2)C1 238815359 BIBHCVZVILCMJN-UHFFFAOYSA-N 314.414 2.525 0 40 DFAB CC(C)CN1CCC[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96215432 PYWZASIWCOMDCQ-SFHVURJKSA-N 301.434 2.666 0 40 DFAB COC(=O)CN(C(=O)c1cc(C(C)C)no1)c1cccc(F)c1 96451644 RVLVWMBODSZMLG-UHFFFAOYSA-N 320.320 2.757 0 40 DFAB CCc1ccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)cc1 256045937 BUHWJQPVGRMUJE-UHFFFAOYSA-N 314.389 2.764 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c(C)n1 257290158 QBUWGTBENUJMPF-MRXNPFEDSA-N 310.401 2.726 0 40 DFAB CCCn1cc(C(=O)N2CCC[C@@]2(C)c2nccc(C)n2)cn1 257271721 MZNNLCPVBIQBSP-KRWDZBQOSA-N 313.405 2.543 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@H]2C1 253369883 JJEKECXQHKCQAY-SZMVWBNQSA-N 309.413 2.698 0 40 DFAB COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)C1(C(=O)O)CC1 263210153 NJOLPRQVKFRLNN-CYBMUJFWSA-N 317.385 2.721 0 40 DFAB COc1cc(NC(=O)c2cc(C(C)(C)C)on2)ccc1C(=O)O 262919946 KJIJFQIIYARQAN-UHFFFAOYSA-N 318.329 2.931 0 40 DFAB CO[C@](C)(CNC(=O)COc1ccccc1)c1ccccc1F 96123449 QDOUJMUQCBQKLU-GOSISDBHSA-N 317.360 2.883 0 40 DFAB O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)C1CC1 575618498 BRZWVKMUBXRKAI-UHFFFAOYSA-N 317.414 2.791 0 40 DFAB O[C@]1(COc2cccc(F)c2)COCCN(C2CCCCC2)C1 585275872 KIMMJOLYQHPSAW-SFHVURJKSA-N 323.408 2.601 0 40 DFAB O=c1c(C(F)(F)F)cccn1Cc1nc2c(F)cccc2[nH]1 69453835 OIJSUKHKSJTEHJ-UHFFFAOYSA-N 311.238 2.931 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CCN2CCC(C)C 585108960 IAJRHXGQNWSZQJ-HOTGVXAUSA-N 305.422 2.513 0 40 DFAB COCc1nsc(N2CCN(c3cc(C)ccc3C)CC2)n1 268844181 PDXVZOIKVUHSEZ-UHFFFAOYSA-N 318.446 2.628 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1 69561681 SLMVNACPBGAOIA-DAYGRLMNSA-N 309.365 2.671 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccco2)n1 31758908 JXDDIQDOGHKMLZ-UHFFFAOYSA-N 319.704 2.661 0 40 DFAB O=C(COc1ccc(Cl)cc1)N1CCCN(C2CCC2)CC1 885936828 XUGJQRSIXWEZKB-UHFFFAOYSA-N 322.836 2.806 0 40 DFAB Cc1ccc(NC(=O)NC2CCC(C)CC2)cc1-n1cnnn1 44246699 FCLBVMBNLLDPGU-UHFFFAOYSA-N 314.393 2.671 0 40 DFAB Cc1cc(OC[C@H]2CCCN(c3nccn4nccc34)C2)ccn1 1776008103 YQTLUCCBSHYFDR-HNNXBMFYSA-N 323.400 2.728 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccncc1 88562091 TXTSUNKAZHHAQK-QGZVFWFLSA-N 324.428 2.751 0 40 DFAB CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@H](C)C1 78897217 FFZSEKRMUXVZTA-RISCZKNCSA-N 307.463 2.757 0 40 DFAB C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 96328759 OEVZKEVBDIDVOI-FMKNUBLKSA-N 306.446 2.642 0 40 DFAB in-vitro OCc1cc2ccccc2nc1N1CCC(N2CCCC2)CC1 96453540 UCYTVTQNCWTEBC-UHFFFAOYSA-N 311.429 2.792 0 40 DFAB Cc1cnn(-c2ccc(C(=O)N3C[C@@H](C)OCC3(C)C)cc2)c1 91116870 LUWDCIQAFRUMKR-CQSZACIVSA-N 313.401 2.820 0 40 DFAB Cc1nc2ccc(NCC(=O)NCC(F)(F)F)cc2s1 40461010 XLRRCSNUOIOPBP-UHFFFAOYSA-N 303.309 2.695 0 40 DFAB Cc1nc(Cl)c(C(=O)O)c(C)c1I 953109642 RPGIRVRPEBBDEJ-UHFFFAOYSA-N 311.506 2.655 0 40 DFAB Cc1ccc(Cc2c(C)[nH]n(-c3nc(C)cc(C)n3)c2=O)cc1 5321434 ULYANABFHGPNFF-UHFFFAOYSA-N 308.385 2.780 0 40 DFAB CCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 5924060 KRBNVRREAGZDFJ-UHFFFAOYSA-N 319.408 2.590 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19118131 PBTXQECHYJJUNC-AWEZNQCLSA-N 315.348 2.536 0 40 DFAB COc1ccc([C@@H]2CCCCN(C(=O)N3CCOCC3)C2)cc1 206887460 CYOSHJXQOOLIPK-MRXNPFEDSA-N 318.417 2.717 0 40 DFAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1cccnc1 226337634 QATUMFSNTBEGCS-SNAWJCMRSA-N 318.760 2.821 0 40 DFAB COC[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5325332 IPQCMOSIGKMPPD-SNVBAGLBSA-N 310.444 2.805 0 40 DFAB O=C(CSC(=S)N1CCCC1)Nc1ccc(Cl)cn1 6216968 SDYVCIFDHPYGBC-UHFFFAOYSA-N 315.851 2.787 0 40 DFAB O=C(NCCCc1ccccc1)C(=O)Nc1ccc(F)cc1 5184112 JPGFJZXUCYBJIG-UHFFFAOYSA-N 300.333 2.513 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 10220445 ZNEIMLNYTGXRBJ-MRXNPFEDSA-N 319.401 2.891 0 40 DFAB C[C@@](O)(CNC(=O)CCCc1ccccc1)Cc1ccco1 206613637 RTWOJLUEQVAZAL-SFHVURJKSA-N 301.386 2.712 0 40 DFAB Cc1ccc(SCCNS(=O)(=O)N(C)C(C)C)cc1C 40105602 KRPCBMZIQQYWEZ-UHFFFAOYSA-N 316.492 2.570 0 40 DFAB CC(=O)N1CCCN(C(=O)c2cc(Cl)sc2Cl)CC1 50818708 DKUZPVUUERDCRO-UHFFFAOYSA-N 321.229 2.749 0 40 DFAB Cc1c(C(=O)O)sc2ncn(CCc3ccccc3)c(=O)c12 31892669 GQUFACZVTWTKHH-UHFFFAOYSA-N 314.366 2.707 0 40 DFAB Cn1cc(/C=C/C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1 21240402 LAEYVMBJNXVFNB-QPJJXVBHSA-N 323.318 2.811 0 40 DFAB CN(C)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 32904184 ZWCILPJFOKMIKD-GFCCVEGCSA-N 318.320 2.525 0 40 DFAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c1 549753 FPONUEIUZYOAHK-CQSZACIVSA-N 318.373 2.665 0 40 DFAB CCn1c(=O)n(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc21 22194356 HODVBDXNGRIFNW-OKILXGFUSA-N 315.417 2.612 0 40 DFAB CC(C)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 211298 BSDGQGBKDGCUDN-UHFFFAOYSA-N 315.398 2.725 0 40 DFAB CC(C)COc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1 574728 FNAFNXXEDGQDKR-UHFFFAOYSA-N 320.458 2.594 0 40 DFAB CN(C)C(=O)c1ccc(N2CC[C@H](Cc3ccccc3)C2)nc1 78334995 AVTIDLCGVKKYIF-MRXNPFEDSA-N 309.413 2.852 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)NCc2ccc(C)s2)o1 78940161 FUNRSUTUJIUNME-HNNXBMFYSA-N 308.403 2.665 0 40 DFAB COc1cc(C(=O)NCc2ccc(NC(C)=O)cc2)ccc1C 22511806 UVVGYYMWXBRCSC-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccn3)CC2=O)cc1 806806 JIQADLZJNMRREG-AWEZNQCLSA-N 309.369 2.636 0 40 DFAB O[C@@H](CNCc1cccnc1)COc1ccc2ccccc2c1 4934540 OOFWPLXJSGDHKB-SFHVURJKSA-N 308.381 2.764 0 40 DFAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 7506351 AJQHJRXVOLGYJT-LLVKDONJSA-N 309.387 2.513 0 40 DFAB CC[C@H]1CCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 24481158 GJLFWBCBQSVQNF-AWEZNQCLSA-N 311.385 2.637 0 40 DFAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 55143737 QHALUOAFNBWZED-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N2CCc3sccc3C2)cn1 56167187 JOJNEDDJAALJIF-LLVKDONJSA-N 317.414 2.537 0 40 DFAB CCOC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1CC 107513009 PYUQBZFGGFEAGQ-RHSMWYFYSA-N 317.433 2.591 0 40 DFAB C/C=C/C(=O)OCc1nc2sccn2c1Br 71914280 SKFDVINTQXSZMA-NSCUHMNNSA-N 301.165 2.778 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@@H]1COc2ccccc21)c1cccs1 71904518 YTBFYJJYAHNQTF-KGLIPLIRSA-N 316.426 2.643 0 40 DFAB CCC(CC)C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 57287099 VFJABMCJYFOYTC-LLVKDONJSA-N 312.435 2.672 0 40 DFAB Cc1cccc(N2CCN(Cn3c(=O)oc4ccccc43)CC2)c1 57352575 IZKHDHDZNNJGDQ-UHFFFAOYSA-N 323.396 2.683 0 40 DFAB COC(=O)c1sccc1NC(=O)CN(CCC(C)C)C1CC1 27110965 GYYHDFUTVMPYHL-UHFFFAOYSA-N 324.446 2.984 0 40 DFAB COCc1c(C(=O)N[C@@H](C)COC)sc2cccc(F)c12 27471636 XBFJTUUTUBSEOO-VIFPVBQESA-N 311.378 2.952 0 40 DFAB CCC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 58268514 FAHHMZGQBPLCMM-CYBMUJFWSA-N 307.413 2.555 0 40 DFAB CCc1noc(C)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 12601296 ZSXFBAOORKOSMR-UHFFFAOYSA-N 313.357 2.690 0 40 DFAB COc1ccccc1CN1CCC(NC(=O)[C@@H](C)SC)CC1 58264213 SQRIMTMWBKPUSH-CYBMUJFWSA-N 322.474 2.527 0 40 DFAB O=C(Nc1ccccc1F)c1coc(=O)c(Br)c1 2197890 JVUIIZYAJVJVIZ-UHFFFAOYSA-N 312.094 2.794 0 40 DFAB CC1CCN(C[C@@H](O)CN2C(=O)c3cccc4cccc2c34)CC1 58369497 RVSNKJPAFHHLOM-MRXNPFEDSA-N 324.424 2.893 0 40 DFAB CCOc1cn(C)c(C(=O)Nc2ccc(C)c(Cl)c2)cc1=O 23135597 WXQFGNDVVJMLFC-UHFFFAOYSA-N 320.776 2.998 0 40 DFAB O=C1COc2cc(C(=O)NCc3ccccc3Cl)ccc2N1 12780940 LSAZEXGJRJRLCY-UHFFFAOYSA-N 316.744 2.601 0 40 DFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCC1CCCCCCC1 84622104 AANWSQJJUULHBI-ZDUSSCGKSA-N 303.468 2.675 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(C)o2)c1C 36622940 KNTKKMVICNVMKV-UHFFFAOYSA-N 304.346 2.592 0 40 DFAB COc1ccc(CCN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC 95400083 LHLDRDWZNZTXQN-XYPHTWIQSA-N 305.418 2.649 0 40 DFAB CCOc1ncccc1C(=O)Nc1cc(C(=O)OC)ccc1F 12819962 SSMSWZBIKLLYNQ-UHFFFAOYSA-N 318.304 2.658 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc21 3442184 MUFZLOBFHJPNMP-HNNXBMFYSA-N 316.401 2.975 0 40 DFAB CCC(C)(C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 12976397 DQYYMAHKOCIAQZ-UHFFFAOYSA-N 308.451 2.887 0 40 DFAB NC(=O)CC1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 49394658 NARRUNBLTMTORL-CMDGGOBGSA-N 322.408 2.967 0 40 DFAB C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 4121539 ZDEFYQTUNYPGJK-CYBMUJFWSA-N 310.353 2.862 0 40 DFAB O=S(=O)(Nc1nnc2ccccn12)c1cccc2ccccc12 83955076 APKGTERMPXYRMX-UHFFFAOYSA-N 324.365 2.683 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)cc1 5029127 FRQMOAXZCPMQNE-AHIWAGSCSA-N 316.401 2.978 0 40 DFAB CCCCn1nnnc1CN1CCC[C@H]1c1ccc(OC)cc1 39985886 AMTGWBVZHRDJPE-INIZCTEOSA-N 315.421 2.819 0 40 DFAB CSCC[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)O 5217008 PNSJVRREUUEKQI-KGLIPLIRSA-N 322.430 2.570 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cc(OC)cc(OC)c2)s1 65594790 ZNMBOQNLMNFKPV-SNAWJCMRSA-N 304.371 2.690 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)s1 6559297 VLLAROPSIXLNTF-UHFFFAOYSA-N 322.817 2.756 0 40 DFAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccncc1 66803647 OTCAXQVWIFMQQL-UHFFFAOYSA-N 319.368 2.929 0 40 DFAB Cn1nnc2cc(C(=O)N(c3ccccc3)C3CCCC3)cnc21 96013846 SSUHFBXFEBQYTP-UHFFFAOYSA-N 321.384 2.953 0 40 DFAB CCSc1nnc(NC(=O)/C=C/c2c(C)nn(C)c2C)s1 7264276 AVLMJHNAALTNLW-VOTSOKGWSA-N 323.447 2.652 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc(C(C)C)cc1 7306214 ZZYSBJPVSNSDPZ-UHFFFAOYSA-N 322.430 2.936 0 40 DFAB COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 16261358 YVGGEJVLLYWVAR-UHFFFAOYSA-N 308.240 2.664 0 40 DFAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1F 7990553 NOUDTEWRTSBSFU-BZNIZROVSA-N 301.317 2.843 0 40 DFAB O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1 8234680 OBNLLXODYGFXOZ-CYBMUJFWSA-N 320.820 2.747 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(F)c(F)c(F)c2)c1 70038501 WLUQNNQXGGXSPU-GFCCVEGCSA-N 323.318 2.914 0 40 DFAB COc1ccc(OC)c(N(Cc2ccccc2)S(C)(=O)=O)c1 408626004 KENBMEHVUSGDBZ-UHFFFAOYSA-N 321.398 2.670 0 40 DFAB Cc1ccc(NC(=O)NCc2nncn2C2CC2)cc1Cl 69698620 GFAIAXRPQKNGJU-UHFFFAOYSA-N 305.769 2.897 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)NCCCc1ccc(Cl)cc1 69616746 CIXXSRZKXOGMAO-UHFFFAOYSA-N 324.852 2.941 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2ccncc2)C1 69950766 RXXAXIVZEORNRK-INIZCTEOSA-N 312.417 2.637 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CCO1 71828396 VVUNHFBUCRRMDT-INIZCTEOSA-N 313.401 2.740 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)c1c(-c2ccncc2)noc1C 97094943 ZZBBRKSQEMABPD-QWHCGFSZSA-N 302.330 2.769 0 40 DFAB CCn1cc(C(=O)OC2CCN(Cc3ccsc3)CC2)cn1 95405033 LVCRKXNSUCEQBK-UHFFFAOYSA-N 319.430 2.786 0 40 DFAB CS(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 72301980 AJTPTUPOCQRIKK-UHFFFAOYSA-N 313.325 2.806 0 40 DFAB O=C(NCCC[C@H]1CCCCO1)NCc1ccc(Cl)cn1 95940547 JNFNRCQKWICTMK-CQSZACIVSA-N 311.813 2.884 0 40 DFAB O=C1[C@@H](Nc2ncc(Cl)cn2)CCN1c1c(F)cccc1F 88765826 VGDXNMBTYMNOCA-NSHDSACASA-N 324.718 2.626 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1noc2c1CCCC2 89930508 MYGPPHGOYPIKRY-SJORKVTESA-N 317.433 2.529 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1 89938698 BQVGXSOZKJFNCY-CQSZACIVSA-N 311.385 2.650 0 40 DFAB COCc1cccc(NC(=O)COc2ccccc2OC)c1 29143832 QAVQERVDKIZASG-UHFFFAOYSA-N 301.342 2.859 0 40 DFAB CCN1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 20519275 JACNHBKAGKCAHK-UHFFFAOYSA-N 300.402 2.547 0 40 DFAB COc1ccc(C(=O)N(C)C2CCN(C)CC2)c(OC(C)C)c1 189991618 FWUNQQFDHHGPJK-UHFFFAOYSA-N 320.433 2.649 0 40 DFAB C[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)c1cccs1 77633886 LCXIJRBXAXAORC-BXKDBHETSA-N 311.353 2.980 0 40 DFAB Cc1noc(C)c1CN1CCOC[C@H]1CC(=O)c1cccs1 189209262 SLOXQWWUXAHNQC-CYBMUJFWSA-N 320.414 2.827 0 40 DFAB Cc1ncsc1COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 78554265 XOKJREXVTLBTBI-LBPRGKRZSA-N 324.446 2.779 0 40 DFAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN(C)C 216147895 GDXVJAUADVVVFU-QGZVFWFLSA-N 300.402 2.675 0 40 DFAB CC1(C)[C@H](c2ccccc2)C[C@H]1NCC1(CS(C)(=O)=O)CC1 123556520 AWNADIOHZGTDPU-JKSUJKDBSA-N 321.486 2.983 0 40 DFAB O=C(O)/C=C\C(=O)Nc1ccc(Cl)cc1Br 31729057 LEBAUUBYLQYLFD-ARJAWSKDSA-N 304.527 2.682 0 40 DFAB CCCCN1CCC(NC(=O)[C@@H]2CCc3cccc(O)c32)CC1 562834669 QOFKJOOFLJOBCS-MRXNPFEDSA-N 316.445 2.803 0 40 DFAB CCCCCN1CC(=O)N[C@H]1c1csc(-c2ccccn2)n1 182330659 TZWCZRNGJRWULG-OAHLLOKOSA-N 316.430 2.826 0 40 DFAB C[C@@H]1OCCN(CCOc2ccc(C(=O)O)cc2Cl)[C@@H]1C 566920532 NUQNKORHIYFRAN-MNOVXSKESA-N 313.781 2.526 0 40 DFAB COC(C)(C)C[C@H](C)NC(=O)N1CCC([C@@H]2CCCO2)CC1 187576880 KLCLZXRNULJBOK-ZFWWWQNUSA-N 312.454 2.791 0 40 DFAB CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc(C(N)=O)cn1 89828315 XWSFGIQXMOXIQJ-MRXNPFEDSA-N 323.396 2.798 0 40 DFAB COc1cccc([C@@H]2CCCN2C(=O)CCc2ncccn2)c1 569897702 HCZYFXMAXZVZET-INIZCTEOSA-N 311.385 2.782 0 40 DFAB COc1nc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1 224338984 LBKJEABMLMHHIG-UHFFFAOYSA-N 321.764 2.773 0 40 DFAB CC(C)[C@H]1N(C(=O)Nc2ncn(C(C)(C)C)n2)CC12CCCC2 575603368 BVDNSZRXDYYCHJ-CYBMUJFWSA-N 319.453 3.466 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1 224600159 KWUJWDBLDMPKMS-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)Cn2cccn2)o1 195530610 JFWWXJKCNUQOMD-CVEARBPZSA-N 303.406 2.763 0 40 DFAB CCOc1ccccc1CNC(=S)Nc1ccc(OC)nc1 225444288 QPRXNMKYSHRTEM-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB COC(=O)c1cc(Cl)cc(NCc2nnc(C3CC3)o2)c1 86209433 AVNICBCEPSMMTC-UHFFFAOYSA-N 307.737 2.999 0 40 DFAB Cc1nc(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)nn1C 48501639 KXPGAUJKQDUPTQ-LSDHHAIUSA-N 313.405 2.971 0 40 DFAB Cc1cc(C)cc(C(=O)NCc2ccnc(N3CCCC3)n2)c1 224199166 VFIXRBMFDHDLMQ-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2csc(C)n2)c(C)o1 80899732 ABDMQMYCCWLEDS-JFDDCEBESA-N 320.414 2.698 0 40 DFAB C[C@@H]1OCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 90723611 AGLIWORZXFKCGN-KSSFIOAISA-N 305.418 2.649 0 40 DFAB O=C(O)CCc1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 95095636 QSJCIPQVTMGNSE-LLVKDONJSA-N 308.765 2.886 0 40 DFAB COc1ccc(OCc2noc(-c3ccoc3)n2)cc1OC 96429056 ZCJRVERBPXTQRR-UHFFFAOYSA-N 302.286 2.926 0 40 DFAB O=C(c1cccs1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257247802 JAOJOVWLBSJJBO-FRRDWIJNSA-N 314.414 2.501 0 40 DFAB CCC[C@@H](NC(=O)N1CC[C@](F)(CO)C1)C1CCCCC1 252510869 ZQEQHHRWSSSPSM-GDBMZVCRSA-N 300.418 2.851 0 40 DFAB CCc1cc(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)no1 257265742 MABQPVWVJHWGPO-MRXNPFEDSA-N 322.368 2.831 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)ccn1 257241225 HXFAQFMDGJQJOH-CQSZACIVSA-N 316.430 2.794 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)C1 253369440 CRPFMNKIEDUEBO-CRNXPOROSA-N 314.429 2.964 0 40 DFAB O=C(c1ccccn1)N1CCO[C@@H](Cc2ccccc2Cl)C1 257215611 CQWFRFDPSOEOLQ-AWEZNQCLSA-N 316.788 2.819 0 40 DFAB COCC[C@H]1CCOC12CCN(Cc1cnn(C(C)C)c1)CC2 585105524 YVZFKFXLZGCPGN-KRWDZBQOSA-N 321.465 2.872 0 40 DFAB CCN(CC)CC(=O)N1CCn2cccc2[C@H]1c1ccccc1 70448165 WNACNSKZGMJJRR-LJQANCHMSA-N 311.429 2.762 0 40 DFAB Cn1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cn1 44873267 PUGKNJDIIYQUDC-BQYQJAHWSA-N 309.413 2.915 0 40 DFAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H](C(F)(F)F)C1 46017712 MOPMMMFLUPUVIQ-JTQLQIEISA-N 324.302 2.943 0 40 DFAB C[C@@H]1CCCN(C(=O)NCCCn2cnc3ccccc32)C1 53559215 MWAUOINPQNJBMB-CQSZACIVSA-N 300.406 2.868 0 40 DFAB COCc1ccccc1C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 84110764 IQHQCNXIAVJBLY-AWEZNQCLSA-N 313.401 2.884 0 40 DFAB CC(C)(C)c1csc(CN2CC[C@@H](CN3CCOCC3)C2)n1 84284734 KFKCFKPMMZNTAS-AWEZNQCLSA-N 323.506 2.595 0 40 DFAB CCC(CC)(CC(=O)OC)NCC(=O)N[C@@H](C)c1ccccc1 79068507 ASWQHFVXYLOMFJ-AWEZNQCLSA-N 320.433 2.575 0 40 DFAB Cc1noc(C)c1CCC(=O)N[C@H](CC(=O)O)c1cccs1 95947085 VBTAWKQLOJYTJN-GFCCVEGCSA-N 322.386 2.618 0 40 DFAB CC(F)(F)CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 581174171 NYDRPEZZNPYLDC-AAEUAGOBSA-N 316.323 2.858 0 40 DFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 5391361 ZKIDBCGUPPIVMK-JTQLQIEISA-N 320.320 2.869 0 40 DFAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc2c(c1)OCCO2 13391318 RKTOFKQKQKCIOA-UHFFFAOYSA-N 313.309 2.717 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 35176078 FGPLMURDFLEFOZ-UHFFFAOYSA-N 313.756 2.894 0 40 DFAB O=C(C1CC1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140789 RIASUMPUTKLCDP-UHFFFAOYSA-N 303.387 2.914 0 40 DFAB CCn1ncc(Br)c1C(=O)N1CCCCCC1 32648590 AJKDZLWAKRHHHB-UHFFFAOYSA-N 300.200 2.682 0 40 DFAB CC(=O)Nc1nc([C@H]2CCCN2Cc2ccc(F)cn2)cs1 2037845528 ADELBRBLHPAJMB-CQSZACIVSA-N 320.393 2.973 0 40 DFAB COC1CC2(CCN(C(=O)c3c(C)nc4ccccn34)CC2)C1 1565552564 ZQHFCINHAQGCAF-UHFFFAOYSA-N 313.401 2.674 0 40 DFAB CC[C@@H](C(=O)N1CCCN([C@@H]2CCOC2)CC1)c1ccccc1 1565522456 QNHTZSQEZHWJRU-QZTJIDSGSA-N 316.445 2.503 0 40 DFAB Cc1cc(C)cc(N(C(=O)CC(C)C)[C@@H]2C=CS(=O)(=O)C2)c1 4165600 ZHOONOMNFKJNAP-OAHLLOKOSA-N 321.442 2.993 0 40 DFAB CCCCOC(=O)OCCOCCOC(=O)OCCCC 4804148 WSMYBZZUAFRRBM-UHFFFAOYSA-N 306.355 2.910 0 40 DFAB O=C(NCC[C@@H](O)c1cccs1)Nc1ccc2c(c1)OCO2 77116032 APKBIJSGHTVAGI-LLVKDONJSA-N 320.370 2.722 0 40 DFAB CCn1cnnc1CNC(=O)C1(c2cccs2)CCCCC1 96414284 PVCAURYMKQQNNR-UHFFFAOYSA-N 318.446 2.878 0 40 DFAB O=C1CCCCN1Cc1cccc(NC(=S)NC2CC2)c1 50254700 MWVTZRPRVQDULS-UHFFFAOYSA-N 303.431 2.648 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1-n1cnnn1 40266509 BJLBQDMOKVAISA-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478429 MYDNQPDNWYHYEI-GFCCVEGCSA-N 305.765 2.639 0 40 DFAB O=C(c1ccoc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40481291 YTBCWEGIVIMKKK-CYBMUJFWSA-N 300.362 2.575 0 40 DFAB C[C@@H]1C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc21 101089110 FBXGDLYMTANDIV-JTQLQIEISA-N 315.398 2.702 0 40 DFAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1F 21512160 RFECRSNBJISVHT-JTQLQIEISA-N 320.320 2.869 0 40 DFAB COCCN(C1CCCC1)S(=O)(=O)c1cc(C)sc1C 32809791 OSAGHRAAUSJTCF-UHFFFAOYSA-N 317.476 2.945 0 40 DFAB CCC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909227 NPPYZIBRVHBRLZ-AWEZNQCLSA-N 304.390 2.723 0 40 DFAB O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1 478926 CBXSUSDOVAZMAR-MDWZMJQESA-N 302.330 2.980 0 40 DFAB COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC(F)F 46776167 YMCQOXVBKZVJGL-UHFFFAOYSA-N 313.304 2.620 0 40 DFAB O=C(NCCNc1ncc(Cl)cc1Cl)c1cccnc1 47162413 RGNSSAMIDAGJHF-UHFFFAOYSA-N 311.172 2.625 0 40 DFAB CCOC(=O)NC(NC(=O)OCC)c1ccc(Cl)cc1 1686508 KOXULPDEJLSBRK-UHFFFAOYSA-N 300.742 2.831 0 40 DFAB C/C(=C\c1ccc(Cl)cc1)C(=O)OC[C@@H]1CCCN1C(N)=O 98053198 STMNWKYVXCCLEP-MARXPDLDSA-N 322.792 2.830 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2)cc1 3443131 WJEGEYPSEAFALN-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB COCCN(C(=O)C1CC1)c1nnc(-c2ccccc2C)s1 4982453 MUYVNYMRLQVYCW-UHFFFAOYSA-N 317.414 2.903 0 40 DFAB CCC(=O)N(CCOC)c1nnc(-c2ccccc2C)s1 4982468 MYHLHIORGVVEDD-UHFFFAOYSA-N 305.403 2.903 0 40 DFAB Cc1nc2c3c(ncn2n1)Oc1n[nH]c(C)c1[C@H]3c1ccccc1 6412642 VOZMXDQTZGANIB-CYBMUJFWSA-N 318.340 2.750 0 40 DFAB O=C(N[C@H]1CCCCNC1=O)c1cc(-c2ccccc2)cs1 42478516 LRBNZMMZLKUFKO-AWEZNQCLSA-N 314.410 2.814 0 40 DFAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 7881849 ZTLFYFVHKWYJEY-SHARSMKWSA-N 300.402 2.734 0 40 DFAB CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c2c(c1)OCO2 12533210 ZKDQKKWPOWZPPC-HNNXBMFYSA-N 316.744 2.947 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccno1 10253901 XDXVIRNNLHUVQM-UHFFFAOYSA-N 315.310 2.779 0 40 DFAB Cc1cccc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c1 23911094 SPOKRYIREYDWBA-AATRIKPKSA-N 321.424 2.748 0 40 DFAB COc1ccc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)c(OC)c1 62001615 GBTHJECCVJUPQA-PKOBYXMFSA-N 324.380 2.628 0 40 DFAB biogenic CN(C)C(=O)C1CCN(Cc2csc(C(C)(C)C)n2)CC1 48056420 GBHHYZHZKWILTO-UHFFFAOYSA-N 309.479 2.741 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)NCc1nc2ccccc2s1 42815613 GZIMZQOIPJGLCP-LBPRGKRZSA-N 319.430 2.864 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nnco2)cc1 12655093 KBLOORYWGDDVKS-BETUJISGSA-N 315.373 2.905 0 40 DFAB Cc1cc(C(=O)Nc2ncc(C)s2)nc(N2CCCCC2)n1 72239830 POWQDQKYWVLATB-UHFFFAOYSA-N 317.418 2.793 0 40 DFAB CCOc1cccc(CNc2nccc(-n3ccc(C)n3)n2)c1 57508448 WBBURDPALXMSFZ-UHFFFAOYSA-N 309.373 2.982 0 40 DFAB COc1ccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)cc1 72270815 RTGSTIDKYXYQKJ-HUUCEWRRSA-N 300.362 2.807 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 72235226 VBVAKBBVIJXSQU-GOSISDBHSA-N 324.428 2.861 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 26981742 VRLQJLOCQQOSSD-YCPHGPKFSA-N 318.417 2.996 0 40 DFAB O=C(N[C@@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 108399077 MCOFYCMKEYZMBP-KKZNHRDASA-N 308.592 2.595 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)Cc2ccccc2C)cc1 23048325 UXSCYQAHKLZVHR-UHFFFAOYSA-N 311.381 2.706 0 40 DFAB Cc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 12739652 MVXJRNJTYRZXRW-UHFFFAOYSA-N 305.403 2.820 0 40 DFAB O=C(CSc1ncnc2ccccc12)Nc1nccs1 3303163 MEBKKVIYAGHCJR-UHFFFAOYSA-N 302.384 2.817 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 58356635 CPKJRUCLZNQJNS-OAHLLOKOSA-N 320.400 2.656 0 40 DFAB CCOc1ccc(NC(=S)N(C)C2CCN(C)CC2)cc1 3306926 GGHYKJZTXASVNR-UHFFFAOYSA-N 307.463 2.808 0 40 DFAB CC(C)N1CCC(N(C)CC(=O)N[C@@H](C)c2ccccc2)CC1 58324798 YNNJHTQWSRCASM-INIZCTEOSA-N 317.477 2.668 0 40 DFAB C[C@@H](O)c1ccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)cc1 58407670 XHIHNRAFXLYIOH-RNCFNFMXSA-N 302.201 2.940 0 40 DFAB CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 12851182 MXTAOLRABPHYSQ-UHFFFAOYSA-N 316.361 2.885 0 40 DFAB CC(C)OC(=O)CCNC(=O)N1CCC[C@H]1c1ccccc1 45216060 PMAVLPSOWHUJGT-HNNXBMFYSA-N 304.390 2.875 0 40 DFAB C[C@@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1cccnc1 88479898 ZIJJNMPWNVFQLF-CXAGYDPISA-N 305.422 2.773 0 40 DFAB CCOc1ccc(C(=O)Nc2cc(C)n(C)n2)cc1OCC 28573696 HBUVYYYQPNYKSV-UHFFFAOYSA-N 303.362 2.778 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccc(F)cc1F 65224837 BWOVNCYLSGAOQW-UHFFFAOYSA-N 304.300 2.607 0 40 DFAB CC[C@H](CO)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2500428 JOFWMVWLYRLQSC-HUUCEWRRSA-N 312.413 2.516 0 40 DFAB Cc1ccc(CNC(=O)COc2ccccc2C(=O)O)cc1F 13456963 RCESYTFLXATWJJ-UHFFFAOYSA-N 317.316 2.528 0 40 DFAB CC(C)c1cnc(S(=O)(=O)C[C@H]2CCCCO2)n1C(C)C 95988626 RWXHQRHVMGWZLZ-CYBMUJFWSA-N 314.451 2.930 0 40 DFAB COC(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 27333871 DXKUAFNMRJWUSX-SWLSCSKDSA-N 304.390 2.851 0 40 DFAB C[C@H](NC(=O)Cc1c(O)c2ccccc2[nH]c1=O)c1ccccc1 6283083 ZGEYXIOZKBQKSQ-LBPRGKRZSA-N 322.364 2.654 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@@H]2CCCC[C@H]2CO)CC1 97228455 VDCVLHXHQHGTHK-GOEBONIOSA-N 310.482 2.554 0 40 DFAB CC(C)c1nc2cc(N[C@@H](C)C(=O)N3CCOCC3)ccc2o1 65433551 SEEBYYSGQMKLNQ-LBPRGKRZSA-N 317.389 2.610 0 40 DFAB Cc1nnc2n1C[C@@H](NC(=O)c1cc3ccccc3s1)CC2 65530326 DQTXKYDTTGNIKX-LBPRGKRZSA-N 312.398 2.546 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)C1 5505816 ITFUOMXNMZIMKZ-CHWSQXEVSA-N 323.820 2.930 0 40 DFAB COc1ccc(-n2ccnc(NCc3ccccc3)c2=O)cc1 6915039 BQQBEZYNOWCTTL-UHFFFAOYSA-N 307.353 2.853 0 40 DFAB O=C1NCCCN1C1CCN(C/C=C/c2ccc(F)cc2)CC1 93669340 URCXKDVSAMMGCY-HNQUOIGGSA-N 317.408 2.719 0 40 DFAB CCCc1ccc(S(=O)(=O)N(C)Cc2ccccn2)cc1 84758994 XKHFLPWUXFRPFU-UHFFFAOYSA-N 304.415 2.855 0 40 DFAB CCCn1nc(C)c(CN2CC[C@@H](Oc3ccncc3)C2)c1C 93865724 KVKYMTNJNZAZLJ-QGZVFWFLSA-N 314.433 2.958 0 40 DFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(Cl)c1)CS2 7652528 LTTXNQNMRRSBSR-BXUZGUMPSA-N 310.806 2.733 0 40 DFAB COc1ccccc1CNC(=O)c1coc2ccccc2c1=O 8075752 DSQFWEWQRQSBNJ-UHFFFAOYSA-N 309.321 2.732 0 40 DFAB O=C(NCCc1cccc(-c2ccccc2)c1)N1CC[C@H](CO)C1 95416278 QYLRZXBABZXQMR-KRWDZBQOSA-N 324.424 2.920 0 40 DFAB COc1cnc(C(=O)Nc2cccc(Br)c2)cc1O 16968419 YZWWTCNICQZEAX-UHFFFAOYSA-N 323.146 2.811 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCOc2ccccc21 69326308 VESZSFCGISNOPU-OFQRWUPVSA-N 319.401 2.601 0 40 DFAB Cn1cc([C@@]2(C)CN(c3ccnc4ccsc34)CCO2)cn1 95415166 XVDRFVCMDIPJBY-MRXNPFEDSA-N 314.414 2.782 0 40 DFAB CC[C@H](CNc1ccc2nnc(C)n2n1)Oc1ccccc1F 96452693 HCORLCBCZHTSJM-GFCCVEGCSA-N 315.352 2.841 0 40 DFAB COCC[C@@H](C)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 69483713 VCCMVLMTDCUPLV-CJNGLKHVSA-N 322.405 2.791 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)NC2CCSCC2)c1 69580865 HBSXKAXNNAGLGF-UHFFFAOYSA-N 321.446 2.682 0 40 DFAB CC(C)c1nc(C(=O)Nc2cccc(OCC(=O)O)c2)cs1 95425128 UZDCVQVKPQZZBS-UHFFFAOYSA-N 320.370 2.982 0 40 DFAB CC(C)C[C@H](CNC(=O)/C=C/c1nccs1)N1CCCC1 69879066 CCSXJUDZXVGGPR-VBROQKIQSA-N 307.463 2.783 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H](n2ccnc2)C1 69976298 KKMNJBXSQIADHZ-GOSISDBHSA-N 309.413 2.778 0 40 DFAB COc1c(Cl)cc(Cl)cc1CN[C@H]1CCCCNC1=O 71836981 LNCODNRVDOTULZ-LBPRGKRZSA-N 317.216 2.760 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 8744806 VCJANHLQNDWWEI-NSHDSACASA-N 300.383 2.905 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2cccs2)cn1 71830425 PPTKENZJXKFUSG-BFHYXJOUSA-N 301.415 2.949 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)on1 71820963 WSMXLMSERPVQOD-CYBMUJFWSA-N 314.341 2.618 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ncon1 97047449 RXBUBWVJUADBQL-ZCFIWIBFSA-N 303.215 2.719 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)c(=O)[nH]1 75120003 IOFPRTSYRGTGEL-LLVKDONJSA-N 304.777 2.698 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)Cc2cccc(Cl)c2)c(=O)[nH]1 75120021 JEUIDKZDGIQFIE-NSHDSACASA-N 304.777 2.698 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)N2CC[C@@]3(CCOC3)C2)cc1 89640936 CKWNAXJEFHSKOC-GOSISDBHSA-N 312.369 2.903 0 40 DFAB O=C(Cc1ccon1)N1CC[C@H](Oc2cccc(Cl)c2)C1 89762895 UEBJXKJTXBVHAJ-AWEZNQCLSA-N 306.749 2.550 0 40 DFAB NC(=O)CC[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 89780923 FBSZHACDYLNUIC-LBPRGKRZSA-N 301.365 2.856 0 40 DFAB CC(C)(C)c1nccc(N2CCC(NC3CCOCC3)CC2)n1 1548521579 ILWFTTSQRVWESH-UHFFFAOYSA-N 318.465 2.512 0 40 DFAB CC(C)(C)c1noc([C@@H]2CC(=O)N(CCc3cccs3)C2)n1 38671180 YEEUSERBHSULHJ-LLVKDONJSA-N 319.430 2.987 0 40 DFAB CSc1ccc(C(=O)OCCn2c(=O)oc3ccccc32)o1 79028597 QCYKZGRLPJRUSB-UHFFFAOYSA-N 319.338 2.766 0 40 DFAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(C(=O)O)nn1 563207944 YTDNLGUGSGKFJW-ZYHUDNBSSA-N 301.321 2.696 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 42645716 DOACYSMJHMXGOH-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB Cc1cc(CN(C)C)cc(NC(=O)C2(CC(=O)O)CCC2)c1 564331295 WQCRSHYGVZJETD-UHFFFAOYSA-N 304.390 2.640 0 40 DFAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(C)C)c(OC)c1OC 225186011 IRPYQVKJAOHPLJ-OANVXVOSSA-N 307.390 2.886 0 40 DFAB Nc1ncccc1-c1nc(-c2cccc(OC(F)F)c2)no1 89263321 YXODECHWMAICKE-UHFFFAOYSA-N 304.256 2.982 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)COc2cccc(C)c2)CC1 132619051 ISFGCSFMVKZJPC-OOHWJJMZSA-N 304.434 2.799 0 40 DFAB CC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@H]1CCCO1 190338021 OIQAJELUXZJOJV-BARDWOONSA-N 312.454 2.694 0 40 DFAB CC(=O)NCCc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1 92752413 YZCJPJYWDJTWMH-KBPBESRZSA-N 314.433 2.511 0 40 DFAB Cc1ccc(OCC(=O)N(Cc2ccc(C)o2)C2CC2)cn1 96428867 BGBDCLVXPANAMD-UHFFFAOYSA-N 300.358 2.861 0 40 DFAB Cc1cc(NC(=O)N(C)C[C@@H](C)O)nn1-c1cccc(Cl)c1 96495714 LUTBGNJQYISMKG-LLVKDONJSA-N 322.796 2.679 0 40 DFAB CCCn1ccnc1-c1cccc(NC(=O)c2cnn(C)c2)c1 96475420 PIVLKSMFDUICEO-UHFFFAOYSA-N 309.373 2.946 0 40 DFAB CCOCCCNC(=O)c1cc2c(c3ccccc3n2C)n1C 96037255 VXASXFLJRMHKDN-UHFFFAOYSA-N 313.401 2.826 0 40 DFAB CC(C)[C@@H](C(=O)NCCc1nncn1C)c1cccc(Cl)c1 96454311 CRQRYVOSSMSMHH-OAHLLOKOSA-N 320.824 2.567 0 40 DFAB CO[C@H]1CCN(C(=O)N2CCCC2)C[C@@H]1Cc1ccccc1 96110504 TWFTWAUBYQPYTM-IRXDYDNUSA-N 302.418 2.782 0 40 DFAB Cc1nc(N(C)CC[C@@H](O)c2ccccc2)c2cccnc2n1 95365255 APXHIGYYASBOGJ-MRXNPFEDSA-N 308.385 2.893 0 40 DFAB CC[C@@](Br)(C(=O)c1ccccc1)S(=O)(=O)CC 96518700 LRKOVECCYNCYGM-LBPRGKRZSA-N 319.220 2.805 0 40 DFAB CCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 96413962 XHCIKJMJOQMBAX-NUJGCVRESA-N 318.461 2.923 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc(O)cc3O2)C1 96341543 VHMJMPCNCFLZLH-KRWDZBQOSA-N 319.357 2.737 0 40 DFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CCC[C@H]21 247726248 COXJSROLWFFOKN-RFQIPJPRSA-N 313.319 2.901 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)s1 257226222 FJRLGFZQKFSUBX-CYBMUJFWSA-N 318.446 2.886 0 40 DFAB Cn1cc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4)[C@H]3C2)cn1 257337787 YUJCTKFNRQVGDR-JFIYKMOQSA-N 309.413 2.761 0 40 DFAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1O 257247397 IYWLPDUSPSXMMH-UXIGCNINSA-N 323.776 2.697 0 40 DFAB O=C1[C@@H](C2CCNCC2)CC=CCN1Cc1ccc(F)cc1 257261437 LHHJMFFIUKSKIC-QGZVFWFLSA-N 302.393 2.730 0 40 DFAB CO[C@@H]1CCCOC12CCN(C(=O)Cc1ccccc1F)CC2 257204046 ASVDXFSBYOSQSL-MRXNPFEDSA-N 321.392 2.555 0 40 DFAB Cc1cc(N2CCC3(CC2)CO[C@H](Cc2cccnc2)C3)ncn1 257201350 AHHNMSSCGLKYDO-QGZVFWFLSA-N 324.428 2.798 0 40 DFAB Oc1cc([C@H]2CCCCN2Cc2cscn2)nc2nccn12 257304312 SKZNHTVVQJFKTF-CYBMUJFWSA-N 315.402 2.619 0 40 DFAB CNc1cc([C@H]2CCCN(C(=O)c3ncccc3C)C2)ccn1 257256037 KJVSCYVVRVJVJQ-HNNXBMFYSA-N 310.401 2.847 0 40 DFAB COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)/C=C/c1ccccc1 585319901 ZTYKKCMQFJTTDY-VFJJTBCNSA-N 307.415 2.629 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCc2sccc2C1 65435067 BRKRFUHVTHJFEA-MEDUHNTESA-N 315.394 2.861 0 40 DFAB Cc1cc(OCC2CCN(c3ncc(F)cn3)CC2)ccn1 1775995391 SFLQKRYJSMEVRH-UHFFFAOYSA-N 302.353 2.615 0 40 DFAB CO[C@@H]1CCN(C2CCN(C(=O)Nc3ccc(C)cc3)CC2)C1 1565522662 MQZZUXMRDWFCES-QGZVFWFLSA-N 317.433 2.712 0 40 DFAB NC(=O)C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 93808827 ZAFGAGQHLCTQJM-ZDUSSCGKSA-N 315.442 2.898 0 40 DFAB C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 95426224 HSEZYTGWURCNJF-HOTGVXAUSA-N 323.481 2.652 0 40 DFAB O=C(NCc1ccon1)Nc1cnn(-c2ccccc2Cl)c1 84515025 COHKWSXWVNMKFZ-UHFFFAOYSA-N 317.736 2.835 0 40 DFAB CCSc1cc(Cl)ccc1C(=O)N[C@H](C)Cn1cncn1 97141863 LMLWXSZNDUELGD-SNVBAGLBSA-N 324.837 2.862 0 40 DFAB COc1cccc(N2CCN(c3nc(C(C)C)ns3)CC2)c1 301439172 LSPVZSMVQAIEJT-UHFFFAOYSA-N 318.446 2.997 0 40 DFAB O=C(/C=C/c1cccs1)NC(=S)NCc1ccccc1 171775 LEXZATHYBLHRIU-CMDGGOBGSA-N 302.424 2.952 0 40 DFAB Nc1cc([C@H]2CCCNC2)nc2cc(-c3ccc(F)cc3)nn12 12338315 SPUPTQRFAHGCHT-LBPRGKRZSA-N 311.364 2.585 0 40 DFAB CCOC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(C)=O 19721227 RTYRWKAOEITFME-LBPRGKRZSA-N 304.173 2.604 0 40 DFAB C[C@H](NCCN1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 156649848 PBNCDAAJHIVXRQ-HOTGVXAUSA-N 313.449 2.792 0 40 DFAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC1CCCC1 3546344 JOGIQBQLIQIMDU-LBPRGKRZSA-N 316.430 2.807 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1nnc(N)s1 22738293 XGZQIWFVTMUAMF-JTQLQIEISA-N 322.459 2.568 0 40 DFAB O=C1CCC(=O)N1CC(=O)N(c1ccccc1)c1ccccc1 50985 IZUYYYSDKWNLBQ-UHFFFAOYSA-N 308.337 2.500 0 40 DFAB CC(C)COC(=O)c1c(O)ccc(O)c1C(=O)OCC(C)C 1911531039 GHDGHRTULCSDSP-UHFFFAOYSA-N 310.346 2.723 0 40 DFAB Fc1ccc(/C=C/c2nn3c(-c4cnccn4)nnc3s2)cc1 4785143 QKGNSLOBAMGLMR-ZZXKWVIFSA-N 324.344 2.952 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)c3cccs3)cc2C1 9034884 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CC[C@H]1CO[C@@]2(CCN(C(=O)Cc3noc4ccccc34)C2)C1 1565547713 MNTCFSVLZVYGFS-ACJLOTCBSA-N 314.385 2.788 0 40 DFAB CCN1CCC[C@@H]1Cn1c(S)nc2cc(Cl)ccc2c1=O 20645212 NTWLEPIIPRMICB-LLVKDONJSA-N 323.849 2.823 0 40 DFAB COCCNC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 36709308 BSLBXNSAHAUCEK-UHFFFAOYSA-N 319.386 2.781 0 40 DFAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 585319741 QCARBJCJXOWMNW-FOSCPWQOSA-N 314.307 2.882 0 40 DFAB O=C(NCC[C@@H](O)c1ccco1)NCc1ccc(Cl)cc1 77112915 KGNCUCKJXXBTTC-CYBMUJFWSA-N 308.765 2.856 0 40 DFAB O=S(=O)(c1ccccc1)[C@@]12[C@@H]3CCC[C@H]1[C@]32Br 245239742 BPGSJKMVNCYDEN-MPZDIEGVSA-N 313.216 2.776 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1CNc1ccccc1Cl)[C@H]1C=C[C@H]2C1 100098723 LDXQKIOXGBPLDQ-NUZBWSBOSA-N 302.761 2.517 0 40 DFAB COc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1OC 30908563 SMVQXWSDEXZMFY-AWEZNQCLSA-N 301.390 2.605 0 40 DFAB Cc1cn(CC(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc12 50562109 BZGFJNHWORRARH-INIZCTEOSA-N 322.412 2.877 0 40 DFAB C[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccn1 40523406 CRQSNVWSDHTCKB-GFCCVEGCSA-N 311.341 2.529 0 40 DFAB COC(=O)c1ccccc1NC(=O)Cc1noc2ccccc12 385433 BZENDLZZNUTGBW-UHFFFAOYSA-N 310.309 2.796 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OC(F)F)cc1 102183674 JIEVJBJYYTTWPH-WTTBSCSTSA-N 305.280 2.600 0 40 DFAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2[nH]1 32738293 UVNGQIKRUPGOQG-ZBEGNZNMSA-N 323.352 2.580 0 40 DFAB O=S(=O)(c1ccc(Cl)s1)N1CCO[C@@H]2CCCC[C@@H]21 41195052 YHMLDSPAMJCDCB-VHSXEESVSA-N 321.851 2.734 0 40 DFAB CSCc1cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c1 21937791 UBAMKQBPMKRDLG-UHFFFAOYSA-N 308.447 2.536 0 40 DFAB C[S@@](=O)c1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1 76265309 QYAYAQAXXBGPTL-QFIPXVFZSA-N 313.422 2.843 0 40 DFAB CCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 144631 AMUFGJKIVIZXBN-NXEZZACHSA-N 320.414 2.707 0 40 DFAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1sc(C)nc1C 69896354 SSSYJNNOTUPKJV-CYBMUJFWSA-N 316.382 2.504 0 40 DFAB CN1CCN(C(=O)c2ccccc2OCc2cccs2)CC1 69896391 HOSWICRQAHXJDP-UHFFFAOYSA-N 316.426 2.715 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)c1cc2ccccc2c(=O)[nH]1 53281760 HYENFPOJXZTTRS-GFCCVEGCSA-N 310.353 2.872 0 40 DFAB CSC(C)(C)CNC(=O)NCc1cccc(-n2ccnc2)c1 78942029 BJKVFYWKZSGYLS-UHFFFAOYSA-N 318.446 2.813 0 40 DFAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)NCC1CCCCC1 6120014 ZUSCPICGFLHFHZ-GFCCVEGCSA-N 305.374 2.634 0 40 DFAB Cc1noc(NC(=O)CSC2=Nc3ccccc3CS2)n1 54660068 CSPJXRSPUUFCIL-UHFFFAOYSA-N 320.399 2.984 0 40 DFAB C[C@@H]1CN(Cc2nc3ccccc3o2)CCN1c1nccs1 95351820 QPXPDONEQIZNAH-GFCCVEGCSA-N 314.414 2.995 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)on1)[S@](=O)Cc1ccccc1C 24772492 OWKZFFBOPWOKNR-PEBXRYMYSA-N 320.414 2.957 0 40 DFAB CC[C@@H]1CN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCO1 106558484 ZEBXEXVCLAGCRK-ZYHUDNBSSA-N 321.446 2.773 0 40 DFAB COC(=O)C[C@@H](NC(=O)Cc1ccccc1F)c1cccs1 25082481 NALXCZQVMIRCLR-CYBMUJFWSA-N 321.373 2.850 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@]1(C)Sc2ccccc2N(C)C1=O 57279896 DRRMDIOYKMTUNQ-SJKOYZFVSA-N 318.442 2.915 0 40 DFAB NC(=O)c1csc(C(=O)N[C@H]2C[C@H]2c2ccc(Cl)cc2)c1 95393276 BYPJVFIAFDIKPC-RYUDHWBXSA-N 320.801 2.786 0 40 DFAB S=C1Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 26467591 KOHXCONKRWATBC-UHFFFAOYSA-N 317.805 2.688 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2)c1C 12687578 IJYZQSMOKAHQLB-LLVKDONJSA-N 300.358 2.909 0 40 DFAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C1CCCC1 58183652 ACZVHZGCQXHPRT-KRWDZBQOSA-N 320.408 2.505 0 40 DFAB COCCCCC(=O)NC[C@H](c1ccccc1Cl)N(C)C 58162715 IWVUVWCJSNWAOS-OAHLLOKOSA-N 312.841 2.876 0 40 DFAB C[C@@H](S[C@H](C)c1c(F)cccc1F)C(=O)N1CCNC1=O 58251656 ZTJAYNFJUPABGO-RKDXNWHRSA-N 314.357 2.699 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 58279865 BBGPWSSEVGLEEM-UHFFFAOYSA-N 314.838 2.778 0 40 DFAB Cc1nn(C)c(Oc2ccccc2)c1CNCCn1ccnc1 58316972 QTWPDWSNSPSTNH-UHFFFAOYSA-N 311.389 2.507 0 40 DFAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1 10253460 CSAFHWFCMQVESA-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB CN(Cc1ccco1)C(=O)NCc1ccnc(N2CCCC2)c1 45491184 LOGPXEFLXJEEFD-UHFFFAOYSA-N 314.389 2.616 0 40 DFAB Cc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1Cl 3412482 VJEYCYYVBZYMMA-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB c1cc(-c2noc(CN(C[C@H]3CCOC3)C3CC3)n2)cs1 46092243 ZUXNJHWGHJARNJ-LLVKDONJSA-N 305.403 2.799 0 40 DFAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1COc2ccccc2O1 3561499 YKOOUEAVKJIFTN-LBPRGKRZSA-N 309.243 2.882 0 40 DFAB COCCc1nc(C)c([C@@H](C)NCCN2CCCCC2)s1 92738098 JSURSJZCZWRQFX-CYBMUJFWSA-N 311.495 2.777 0 40 DFAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)cc(OC)c1OC 49549342 KFSZRIKZVIENDO-JTQLQIEISA-N 317.345 2.570 0 40 DFAB CN(C)[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 62083118 HDZSLOFLYAXNER-KRWDZBQOSA-N 300.377 2.787 0 40 DFAB CC[C@H](CNC(=O)Cn1nnc2ccccc21)c1ccccc1 14253945 BWHSKBWATQZFFA-CQSZACIVSA-N 308.385 2.741 0 40 DFAB C[C@@H](Nc1cccc(CO)c1)C(=O)N1CCc2sccc2C1 71832729 AWJLIFMUIGAJHG-GFCCVEGCSA-N 316.426 2.626 0 40 DFAB CN(CC1=CCCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O 93359993 JWCRJPQXQDFTMU-MRXNPFEDSA-N 320.820 2.724 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccn1 6695323 QGMSLMCVVUIRFY-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB COC(=O)c1cccc(COC(=O)c2cccc(OC)c2)c1 6604631 ZXUKWQWPGIBTMI-UHFFFAOYSA-N 300.310 2.839 0 40 DFAB Cc1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)c(C)c1 6793108 YAJUUBCNFFANJR-UHFFFAOYSA-N 322.393 2.939 0 40 DFAB COc1ccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)cn1 96001167 XENKHOWFVQBEQD-ZDUSSCGKSA-N 316.361 2.539 0 40 DFAB COc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1OC(F)F 93418128 POGWLZMLZGKPGF-QWRGUYRKSA-N 301.333 2.906 0 40 DFAB COc1cc(C(=O)Nc2ccc(N)cc2C)cc(OC)c1OC 19736359 IMPMSVOCMXIBAR-UHFFFAOYSA-N 316.357 2.855 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)Nc1nccs1 7654744 QOWLQZUBULZIPX-UHFFFAOYSA-N 308.384 2.645 0 40 DFAB Cn1cc([C@H]2C[C@H]2C(=O)NCCCn2ccc3ccccc32)cn1 68410668 STEYWMXNTDLVNQ-IAGOWNOFSA-N 322.412 2.685 0 40 DFAB CCOC(=O)C1CCN(CC(=O)Nc2ccc(C)cc2C)CC1 7812284 YEVIBUUBCKNMKS-UHFFFAOYSA-N 318.417 2.517 0 40 DFAB C[C@H]1C[C@@H](Sc2nnc(C3CC3)n2-c2ccccc2)C(=O)O1 8188635 KHXHDWKNGJBAEU-GXFFZTMASA-N 315.398 2.941 0 40 DFAB C[C@@H](C1CCC1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501243 LMQNKFFQLDRXKA-VIFPVBQESA-N 322.352 2.910 0 40 DFAB CN(CCc1ccncc1)C(=O)C[C@@H]1OCCc2ccccc21 71908829 GRDUWWQRBNAYGH-SFHVURJKSA-N 310.397 2.787 0 40 DFAB CCc1ccsc1C(=O)NCCNC(=O)CC1CCCC1 69379889 QHXCBTGWPFBVFL-UHFFFAOYSA-N 308.447 2.737 0 40 DFAB Cc1ccc(NC(=O)C[C@@H](C)NC2CCC(O)CC2)c(C)c1 8395489 APPXLRHZVMSJNB-QQFBHYJXSA-N 304.434 2.914 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N1CCO[C@@H](C)[C@@H]1C 96499580 VQFPENABWYHLPZ-KBPBESRZSA-N 318.421 2.631 0 40 DFAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)nn2C)cc1 69508241 FIINJWZHSHFNEE-MRXNPFEDSA-N 312.417 2.813 0 40 DFAB CC(C)(C)c1nc(CN2CCC[C@H]2Cn2cncn2)cs1 69518107 IOUSYGODLYWHPP-ZDUSSCGKSA-N 305.451 2.697 0 40 DFAB COc1ccccc1CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69509982 UIPUUGUTCNCDBU-IRXDYDNUSA-N 316.445 2.713 0 40 DFAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCCC1 8649918 LUHFWMYCPSAANP-CYBMUJFWSA-N 314.385 2.655 0 40 DFAB CC(C)Oc1nnc(SCC(=O)N2CCCCCC2)s1 72014567 VCFDIXVNFUNYBF-UHFFFAOYSA-N 315.464 2.820 0 40 DFAB CO[C@H](C(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1ccccc1 97060460 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O=c1ccc(-c2ccco2)nn1CN1CCc2ccccc2C1 79476064 QBPKDMBPLYNHLU-UHFFFAOYSA-N 307.353 2.519 0 40 DFAB O=C(O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccccc1F 72346833 FQOGFUMVIKXPEA-NEPJUHHUSA-N 319.357 2.828 0 40 DFAB COc1coc(C(=O)Nc2nc3c(s2)CCCCC3)cc1=O 72402585 JSPJAMFLEPUZIH-UHFFFAOYSA-N 320.370 2.626 0 40 DFAB Cn1cc(CCC(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 78610223 GDSFKNJOOOPVEV-UHFFFAOYSA-N 312.348 2.921 0 40 DFAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227946 ZTVQYHBQBXNFJP-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB CC(=O)N1CCC[C@@H](c2cncc(Nc3cccc(C)n3)n2)C1 72354320 HSBWHQDTNZOKRT-CQSZACIVSA-N 311.389 2.650 0 40 DFAB COc1ccc(CCC(=O)NCC[C@H](O)C(C)(C)C)cc1OC 72243170 HQOUUADJOZMTFM-INIZCTEOSA-N 323.433 2.550 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)Cc2cncs2)C12CCCCC2 188155366 MKHGXLIZDGZILB-UONOGXRCSA-N 308.447 2.930 0 40 DFAB O=C(O)CSC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392144 QNTXFAJXQQPXBF-CQSZACIVSA-N 323.414 2.853 0 40 DFAB O=C(NCc1cccs1)[C@H]1CCC(=O)N1Cc1cccs1 72239677 BCCJBIMKNHHKFF-CYBMUJFWSA-N 320.439 2.617 0 40 DFAB CC(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)cc(C)n2)C1 72354274 BASACZKZJQQSDP-CQSZACIVSA-N 311.389 2.650 0 40 DFAB COCCC(=O)Nc1c(C)nn(Cc2cccc(OC)c2)c1C 32610119 YIOBDEQDNLCBKK-UHFFFAOYSA-N 317.389 2.532 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@@H]1OC 78985605 TVTXPCBFYINILY-HOTGVXAUSA-N 306.358 2.551 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)c1ccc(Cl)s1)C2 70971916 HNDPNNNNBKCONO-UHFFFAOYSA-N 301.795 2.627 0 40 DFAB COc1cc(OC)c([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1Cl 183578594 WXHZXOXLUCMELM-SDDRHHMPSA-N 311.809 2.945 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)ncn2C 74705646 JYBOKFXHHLASAW-UHFFFAOYSA-N 309.325 2.612 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccccc2F)c(CN(C)C)c1 73314501 JYHLUOSHWWMQSS-UHFFFAOYSA-N 322.405 2.997 0 40 DFAB CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CC1 69484055 GIMDWCGFCMDWAB-AWEZNQCLSA-N 304.390 2.873 0 40 DFAB COC(=O)c1cc2ccccc2cc1OCC(=O)NC(C)C 44865860 BMZORQXETULOSW-UHFFFAOYSA-N 301.342 2.530 0 40 DFAB COCCn1c([C@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180839 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COc1ccc(C[C@@H](C)N[C@@H]2CCCC[C@@H]2CO)cc1OC 96478099 LFESKTRHUIYSTA-FVQBIDKESA-N 307.434 2.776 0 40 DFAB CC(=O)N(C)c1ccc(OC(=O)c2cnn(C(C)(C)C)c2)cc1 96431551 CNNLALLAIYYFTE-UHFFFAOYSA-N 315.373 2.840 0 40 DFAB CC[C@@H]1C[C@@H](C(=O)N(C)c2cccnc2N2CCCC2)CCO1 97235984 VGENRHHYZSPZEC-LSDHHAIUSA-N 317.433 2.850 0 40 DFAB CCc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1F 95440694 IQFCKJZVYVOCGJ-LBPRGKRZSA-N 302.353 2.790 0 40 DFAB Cc1nc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)oc1C 96424562 ZLGVICOWUJKIGB-LLVKDONJSA-N 309.410 2.733 0 40 DFAB Cc1nc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cs1 96046325 ZXXYQWBPNNBAOV-VBNZEHGJSA-N 316.430 2.594 0 40 DFAB Cc1ccccc1C(=O)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 245093450 ROCZUEZAIRYRFY-UHFFFAOYSA-N 324.428 2.994 0 40 DFAB Cc1cnccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257266236 MCCHYWXYNCMTJO-RTBURBONSA-N 312.413 2.794 0 40 DFAB c1ccc(N2CCC[C@H](c3cncc(-c4ncc[nH]4)n3)C2)nc1 257219214 DGAJFCFHUXLAQD-ZDUSSCGKSA-N 306.373 2.646 0 40 DFAB O=C(CCCC1CCOCC1)Nc1n[nH]cc1Br 293843834 HFUASKHFTAPEQG-UHFFFAOYSA-N 316.199 2.708 0 40 DFAB CCC[C@@H](NC(=O)c1ccc2nn[nH]c2c1)[C@H](O)c1ccccc1 390834145 SUJDIPUONQQPSC-NVXWUHKLSA-N 324.384 2.590 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)n1 72232441 DXTDBACTOCQHNZ-CYBMUJFWSA-N 317.414 2.518 0 40 DFAB Cc1noc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C)n1 75126744 FRJAHGPYEPBEFA-SNVBAGLBSA-N 315.377 2.643 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)c2cccc3c2OCC(=O)N3)c2ccccc21 95350988 KNSWAVYZKUBBJN-BDJLRTHQSA-N 322.364 2.996 0 40 DFAB O=P(O)(O)[C@@H](NCc1ccccc1F)c1ccc(F)cc1 12997461 JDKHDWHECVNQOJ-CQSZACIVSA-N 313.240 2.931 0 40 DFAB CC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1ccccc12 13915716 UBZZELJZQKZTOC-NUJGCVRESA-N 324.405 2.656 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 15424546 FSEBXWSWOXTMSP-UHFFFAOYSA-N 321.167 2.978 0 40 DFAB CCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 15931421 MPBIWQJMULHYHI-RJAIZQQDSA-N 322.840 2.753 0 40 DFAB COc1cccc(CN2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)c1 19889876 VKOHRYRBRDSBHI-HZPDHXFCSA-N 318.461 2.769 0 40 DFAB CCN1C(=O)S/C(=C\c2ccc(OC(C)=O)c(OC)c2)C1=O 6325697 CKTHFRKYURUQEY-JYRVWZFOSA-N 321.354 2.677 0 40 DFAB COc1ccccc1OCC(=O)NCCOc1ccc(C)cc1 5814551 YSPNNCRYEAUMTR-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB COC1(CNC(=O)CSC2CCCC2)Cc2ccccc2C1 225718988 HCFVQRVVSMDALK-UHFFFAOYSA-N 319.470 2.962 0 40 DFAB CC(C)C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181314 HPJWYYMPBQQUPH-UHFFFAOYSA-N 307.394 2.740 0 40 DFAB CCNCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2649501 SVCVKIXMZYWXOQ-UHFFFAOYSA-N 324.446 2.740 0 40 DFAB c1ccc(N2C[C@H]3CCN(c4cnc5ccccc5n4)[C@H]3C2)nc1 1889186627 CZDUQEAXPDXVKR-PBHICJAKSA-N 317.396 2.740 0 40 DFAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccoc1 252571714 YLFBKENVBGAPTP-UHFFFAOYSA-N 308.447 2.617 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1nnc(SC)s1 4079478 BHCDVFMVGXDHOC-UHFFFAOYSA-N 311.388 2.530 0 40 DFAB Cc1cc(C)cc(N(C(=O)CC(C)C)[C@H]2C=CS(=O)(=O)C2)c1 4165598 ZHOONOMNFKJNAP-HNNXBMFYSA-N 321.442 2.993 0 40 DFAB COC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729656 KKOPSUXISNRSKR-NWANDNLSSA-N 309.793 2.606 0 40 DFAB O=C(NC1CCOCC1)N(Cc1ccccn1)Cc1ccco1 225552113 HJCSPNHJXFZOIN-UHFFFAOYSA-N 315.373 2.565 0 40 DFAB COc1cc(C=O)ccc1OCCN1CCc2ccccc2C1 23228012 WMOYZELRWDZHMV-UHFFFAOYSA-N 311.381 2.945 0 40 DFAB CCCc1cc(=O)n2ncc(-c3ccc(OC)c(OC)c3)c2[nH]1 4911880 YZGGJLKESCSPIK-UHFFFAOYSA-N 313.357 2.659 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)o2)cc1C 30320028 ONIMREBXZUEPSK-UHFFFAOYSA-N 309.387 2.726 0 40 DFAB Cc1cc(NC(=O)c2ccn(-c3ccccc3Cl)n2)n(C)n1 50312512 ZVGNVSHTMXOFHN-UHFFFAOYSA-N 315.764 2.820 0 40 DFAB O=[N+]([O-])/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 100472774 NEGGZFXBNVIMCV-GXDHUFHOSA-N 322.317 2.787 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2n1 102597439 XYRPFHDEFRNJCD-QPSCCSFWSA-N 312.417 2.901 0 40 DFAB NNc1nnc2c3cc(F)ccc3n(CCc3ccccc3)c2n1 536522 HHZKRGCZJOURAP-UHFFFAOYSA-N 322.347 2.647 0 40 DFAB COc1ccc(-c2nc(N)ncc2-c2cscn2)c(O)c1 132904 QHBJKNUXVCHEOY-UHFFFAOYSA-N 300.343 2.564 0 40 DFAB O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(Cl)cc1 186804 LUUORKPCGAPJQQ-UHFFFAOYSA-N 315.712 2.542 0 40 DFAB Nc1ccccc1SCC(=O)Nc1ccc2c(c1)OCCO2 415371 VFIHOQZGGIWIMD-UHFFFAOYSA-N 316.382 2.771 0 40 DFAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccnc1 76856898 VTGHATIDBWENGJ-JSGCOSHPSA-N 320.389 2.787 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCn2cncn2)C2CC2)o1 41895789 YEWXJXLEIORHJJ-SWLSCSKDSA-N 314.389 2.576 0 40 DFAB CN(C(=O)CC1(CC(=O)N(C)C2CC2)CCCCC1)C1CC1 78758282 NTCUOJKLVSOLBC-UHFFFAOYSA-N 306.450 2.959 0 40 DFAB O=c1[nH]c(NCc2cccc(-n3cccn3)c2)nc2ccccc12 78814731 LIIWGULFQMHXTK-UHFFFAOYSA-N 317.352 2.721 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccnn1C1CCCCC1 78936853 SUKZQOWJFJAFCK-JSGCOSHPSA-N 306.410 2.671 0 40 DFAB CCOc1ccc(SCC(=O)/N=c2/sccn2C)cc1 23260220 DKXBDJCAQQZELH-CCEZHUSRSA-N 308.428 2.705 0 40 DFAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccccn1 61721027 JSSGKBHAMNIKSE-QGZVFWFLSA-N 324.384 2.570 0 40 DFAB CCOc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1OCC 105082259 ONBFIUDBYBZTAU-XFXZXTDPSA-N 320.414 2.562 0 40 DFAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCO2 9446131 QFXDDVBUFYPAIB-UHFFFAOYSA-N 313.309 2.829 0 40 DFAB CC(C)c1ccc([C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 44264921 WFMALPNFFXDBQD-CQSZACIVSA-N 314.341 2.953 0 40 DFAB C[C@H](C(=O)NCc1ccc(-c2ccccc2F)o1)n1cncn1 58249759 ZXXFKLYSSWWWRI-LLVKDONJSA-N 314.320 2.555 0 40 DFAB Cc1cccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)n1 48227534 ACGNMJADYKGZFV-UHFFFAOYSA-N 317.780 2.686 0 40 DFAB Nc1nc(Cl)cc(NCc2ccc(-n3cccn3)cc2)n1 44975920 KGFNFRSMTTVNIV-UHFFFAOYSA-N 300.753 2.510 0 40 DFAB C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc2[nH]c(=O)[nH]c2c1 44976509 IVVYREYIGDJERY-SSDOTTSWSA-N 323.278 2.838 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2ccsc2)n1 44953258 JBQXMYICPLRZKV-LBPRGKRZSA-N 305.447 2.947 0 40 DFAB CC1CCN([C@@H](C)CNC(=O)Cc2noc3ccccc23)CC1 58354692 WDWFGJBEYAZNKU-AWEZNQCLSA-N 315.417 2.607 0 40 DFAB Cc1cccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n1 28194680 CUPZBJAHKKTHQT-AWEZNQCLSA-N 317.414 2.845 0 40 DFAB O=C(NCCC1=CCCCC1)N[C@@H](Cc1ccccc1)C(=O)O 2421927 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Cc1ccc(/C=C/S(=O)(=O)N2CCO[C@H](C(C)C)C2)cc1 95994010 PLEOPUUMQABZMA-KXKDPZRNSA-N 309.431 2.652 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 75244236 TYSVXOCXYWSQLJ-ZDUSSCGKSA-N 309.793 2.986 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cc2)[C@@H](c2ccco2)C1 75388329 YVOUHQUVGSCASH-IUODEOHRSA-N 312.369 2.992 0 40 DFAB O=C(CCc1ccc(Cl)cc1)Nc1c[nH]nc1[C@@H]1CCNC1 1549745639 MTDWYYOALFUINC-GFCCVEGCSA-N 318.808 2.711 0 40 DFAB Cc1ncsc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 181240093 WQWGGQKDUOVJDM-CQSZACIVSA-N 302.399 2.535 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O 409016589 DTULXNBAFUYWLC-DLOCPLPGSA-N 321.354 2.824 0 40 DFAB CCNC(=O)c1ccc(NCc2ccnn2-c2ccncc2)cc1 1560497031 WVCYSPLBDIDOND-UHFFFAOYSA-N 321.384 2.629 0 40 DFAB COc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)ncn1 79439172 NKDOKDYWKXVFRK-UHFFFAOYSA-N 322.409 2.544 0 40 DFAB COC(=O)c1cc(-c2ccccc2O)nc2cc(C3CC3)nn12 36615675 WBHHPWFDDDUTFM-UHFFFAOYSA-N 309.325 2.766 0 40 DFAB COc1ccccc1N1CC(O)=C(c2nc3ccccc3[nH]2)C1=O 217426538 AUQDHDYHDLZTPK-UHFFFAOYSA-N 321.336 2.887 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N1CCC[C@@H]2CCCC[C@@H]21 72756001 USTBOSNARHWZEU-KBPBESRZSA-N 306.431 2.593 0 40 DFAB CNC(=O)[C@H]1CCCN1Cc1c(Cl)ccc2cccnc12 69490560 XPFWCMPDELOEPZ-CQSZACIVSA-N 303.793 2.599 0 40 DFAB COCCNC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225212258 VAHOSMSWDIKXGP-UHFFFAOYSA-N 324.427 2.621 0 40 DFAB O=C(Cc1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1 225275745 JLWYDMXUHVJULF-UHFFFAOYSA-N 324.409 2.633 0 40 DFAB O=C(NCCc1cc2ccc(F)cc2[nH]c1=O)c1cccs1 49597371 MMQUYYKRAFEJMY-UHFFFAOYSA-N 316.357 2.701 0 40 DFAB COc1ccc(C(=O)NC[C@H]2Cc3ccccc3CO2)cc1F 225785926 HPGGZECWTPGPBB-OAHLLOKOSA-N 315.344 2.706 0 40 DFAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NC1CCCC1 225732298 OAXJKPJAXQGOFK-UHFFFAOYSA-N 304.777 2.714 0 40 DFAB CC(C)Sc1ccccc1C(=O)N1CCC(C(N)=O)CC1 45973039 YMULPBPVRSEOTK-UHFFFAOYSA-N 306.431 2.525 0 40 DFAB Cc1cnc(C)c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 225537979 FJLAQUJMCNWGKQ-CYBMUJFWSA-N 306.410 2.587 0 40 DFAB O=C(O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 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321.424 2.989 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)c1cccnc1C 96431673 HDGGOWSCUHZBTL-GFCCVEGCSA-N 300.358 2.596 0 40 DFAB CCN(C(=O)c1ccccc1)[C@H]1CCOC2(CCN(C)CC2)C1 257277328 NXNCUSXIPNESJG-KRWDZBQOSA-N 316.445 2.792 0 40 DFAB Nc1cc(CC[C@@H]2CN(Cc3ccc(F)cc3)CCO2)ccn1 257336315 YNWYXVISBVDBIH-QGZVFWFLSA-N 315.392 2.637 0 40 DFAB O=S(=O)(Nc1cccc2cn[nH]c12)c1ccc2c(c1)CCC2 25463898 ALYUGRKIYCIXBD-UHFFFAOYSA-N 313.382 2.852 0 40 DFAB O=C(c1ccco1)N1CC(Oc2nc3ccccc3s2)C1 85471147 DOWGVBSRGKDDGA-UHFFFAOYSA-N 300.339 2.793 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2cccnc2OC)ccn1 257297216 RGJDHQAGOYXXIX-AWEZNQCLSA-N 312.373 2.504 0 40 DFAB Cc1cnn(CCNC(=O)N2CC[C@H](c3ccccc3C)C2)c1 265398311 OOFQNFBDZSNBHO-INIZCTEOSA-N 312.417 2.699 0 40 DFAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H](C)[S@]1=O 390833913 ORJBHSCXVKQMGR-NGVSDPCNSA-N 303.427 2.628 0 40 DFAB COC(=O)[C@H]1CC[C@@H](N(C)C(=O)OCc2ccccc2)CC1 575441602 ZBFUBPUEGWYWIP-GASCZTMLSA-N 305.374 2.987 0 40 DFAB c1ccc(OCC[C@H]2CCOC23CN(Cc2ccco2)C3)nc1 585102612 CBGVOZOFNBDZGL-HNNXBMFYSA-N 314.385 2.735 0 40 DFAB CCn1c(C)cc(C(=O)Nc2ccc(-n3cncn3)cc2)c1C 65567021 JKHWIBWBZODFRL-UHFFFAOYSA-N 309.373 2.958 0 40 DFAB O[C@H](CN1CCc2c(ncn2C2CC2)C1)c1ccccc1Cl 69531155 QQZNZSPHWOFXFP-QGZVFWFLSA-N 317.820 2.963 0 40 DFAB c1ccc(-c2cnc(CN3CCC[C@@H]3Cn3cncn3)o2)cc1 69601441 ZXXXJHROGBLFQK-OAHLLOKOSA-N 309.373 2.598 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(C(C)=O)s2)c1 32768281 MARDUEHMISRYEE-UHFFFAOYSA-N 303.339 2.990 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1 38679241 KTWJTTUVISJLGF-UHFFFAOYSA-N 320.742 2.589 0 40 DFAB CC(C)n1c(N)nnc1S[C@@H](C)C(=O)Nc1cccc(F)c1 76065448 JRYAYOCWQDLEOH-VIFPVBQESA-N 323.397 2.700 0 40 DFAB C[C@H](O)[C@@H](C)S[C@@H]1CCN(c2c(F)cccc2F)C1=O 88500982 FJPIDJLBJUSSIA-YGOYTEALSA-N 301.358 2.573 0 40 DFAB Cc1cnc(CNC(=O)c2ccc(F)c(Br)c2)o1 96449956 DNNQZCAVCNYLNN-UHFFFAOYSA-N 313.126 2.815 0 40 DFAB COc1ccc(NC(=O)C[S@@](=O)c2ccc(F)cc2)cc1 5210759 FOEXXOSQZHPYJW-NRFANRHFSA-N 307.346 2.581 0 40 DFAB O=C(c1ccccn1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19399909 BPBGPOPGKVMXSQ-CYBMUJFWSA-N 312.373 2.752 0 40 DFAB C[S@](=O)C[C@](O)(c1ccccc1)c1nccc2ccccc12 4824258 SRALUZXSTMYRKP-PGRDOPGGSA-N 311.406 2.849 0 40 DFAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc3ccccc3o2)C1 1888904236 DOOXEQVAQUGQJH-STQMWFEESA-N 307.353 2.613 0 40 DFAB CCOc1ccc(C(=O)NC[C@@]2(O)CCCc3occc32)cc1 1565522484 ISZXRIJVWNMNGZ-SFHVURJKSA-N 315.369 2.632 0 40 DFAB Cc1cccc(-n2nnnc2SCC(=O)c2ccccc2)c1 390387 VQTLDJRWJRIOGP-UHFFFAOYSA-N 310.382 2.946 0 40 DFAB CCCN1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 4318443 NDSKNSYQFVBUKC-RHSMWYFYSA-N 303.450 2.730 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 4583591 IYZGMYYIYIOGER-UHFFFAOYSA-N 318.760 2.604 0 40 DFAB CN(C)[C@@H](CNC(=O)NCc1cccs1)c1ccsc1 22678998 IAKXQSXIROMSCB-ZDUSSCGKSA-N 309.460 2.912 0 40 DFAB Cc1nc2ccccc2nc1N1CC(c2nnc3ccccn23)C1 2298235437 BPBKKIZPMWQOSF-UHFFFAOYSA-N 316.368 2.585 0 40 DFAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)NC(=S)N1 7260895 SZKKQFFFTCUDPO-GFCCVEGCSA-N 310.444 2.884 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1 3605938 UALVRMDORGBJBW-UHFFFAOYSA-N 323.190 2.814 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCN(c2nccs2)CC1 10668731 GPTMGSWZRVYIBJ-UHFFFAOYSA-N 307.806 2.759 0 40 DFAB OC1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 21581832 WBLCODFHOGPFSB-UHFFFAOYSA-N 307.397 2.958 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1 40062397 LEGOQYNFUBRDBR-KYEXWDHISA-N 305.422 2.832 0 40 DFAB CCCC1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 79506 PKSKGEHOKWADCN-CYBMUJFWSA-N 300.280 2.940 0 40 DFAB CC(C)(C)c1noc(CCC(=O)Nc2nc3c(s2)CCC3)n1 31282932 CJMBIGHYKMEPQV-UHFFFAOYSA-N 320.418 2.884 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCCO3)on1 40487682 SMYMFAWFABFNAB-LLVKDONJSA-N 317.345 2.583 0 40 DFAB CC(C)(C)SCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 31954573 UQDMFHCFUCGWIL-UHFFFAOYSA-N 300.811 2.909 0 40 DFAB CCc1nnsc1C(=O)Nc1cccc(Cn2cccn2)c1 32468358 XKCWWIQOJJNJLR-UHFFFAOYSA-N 313.386 2.598 0 40 DFAB COc1ccc2c(c1)SCC/C2=C\CN1C(=O)CCC1=O 384024 UPXVDJNVZWFMNS-IZZDOVSWSA-N 303.383 2.723 0 40 DFAB COC(=O)c1occc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 32854069 SCIPPTRRZOVIPE-OAHLLOKOSA-N 312.325 2.795 0 40 DFAB CC(C)c1noc(CCCC(=O)NCCOc2ccccc2)n1 46738569 BQLCHHVCNWCLHW-UHFFFAOYSA-N 317.389 2.711 0 40 DFAB NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 12139035 VOMRHZUPGULGHW-UHFFFAOYSA-N 313.304 2.740 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)cc1 105696 JZWZRZYTVFZHIA-MRXNPFEDSA-N 302.399 2.916 0 40 DFAB Cc1ccc(NC(=O)COC(=O)COc2ccc(C)cc2)cc1 149216 TVZKFIYMLKCAMU-UHFFFAOYSA-N 313.353 2.864 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@H]1CNc2cc(C)nn2C1 72273340 GQNNCHGAGRUBMO-GJZGRUSLSA-N 314.433 2.901 0 40 DFAB COc1cccc(NC(=O)c2nn3cccnc3c2Cl)c1 2793787 DWNNJSALBMTIHB-UHFFFAOYSA-N 302.721 2.644 0 40 DFAB COc1cc(NC(=O)NC2CCCCC2)c(C(=O)O)cc1OC 544456 UIOXPZCCWLZWRM-UHFFFAOYSA-N 322.361 2.856 0 40 DFAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC=CCC1 78948936 BCQLIUMFURRZGB-DLBZAZTESA-N 313.397 2.935 0 40 DFAB C[C@@H](c1nc(Cc2ccccc2)no1)[S@](=O)c1nccs1 78987561 VQMHUPSIZRFKOZ-CHNSCGDPSA-N 319.411 2.986 0 40 DFAB CCCCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1 1590400 KYNYSWROWCUJRS-UHFFFAOYSA-N 315.417 2.705 0 40 DFAB O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1 53675447 GODAGDQXSBFQOC-QGZVFWFLSA-N 308.381 2.780 0 40 DFAB Cc1cc(C(=O)NCc2ccnn2C)c(C)n1Cc1ccccc1 47457808 WTOLMLRIXNABBQ-UHFFFAOYSA-N 322.412 2.817 0 40 DFAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1O 7603583 BZIPYPYQCOXOGY-GHXNOFRVSA-N 322.342 2.700 0 40 DFAB O=C1O[C@@H](C(=O)Nc2cnc3ccccc3c2)Cc2ccccc21 23353447 XXVRZPHQRTVSBP-QGZVFWFLSA-N 318.332 2.955 0 40 DFAB COC(=O)c1ccc(OCC(=O)c2cc(C)[nH]c2C)c(OC)c1 23453773 FZQOMGKCNLFCAO-UHFFFAOYSA-N 317.341 2.688 0 40 DFAB O=C(NCc1ccc(Cl)s1)NC[C@H](O)c1ccccc1 47681676 PYMBUNUTNUDLGC-LBPRGKRZSA-N 310.806 2.934 0 40 DFAB COC(=O)c1cc(=O)[nH]c(Nc2ccc(Cl)cc2Cl)n1 8020586 YKOAGIRBCRJSNN-UHFFFAOYSA-N 314.128 2.607 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cn1 8513663 JYIZUWIVTYXQOE-UHFFFAOYSA-N 324.336 2.920 0 40 DFAB Cn1c(CNC(=O)Cc2noc3ccccc23)nc2ccccc21 24180199 ZIDCNVQUEKMODU-UHFFFAOYSA-N 320.352 2.573 0 40 DFAB COc1ccc(OCC(=O)NCCOc2cccc(C)c2)cc1 21769590 OSMAPDRCYSJYIS-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB CCCCc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102173877 PDBSLNJXIQZOJR-JONQDZQNSA-N 315.369 2.622 0 40 DFAB C[C@@H]1CN(C(=O)Cc2csc(-c3ccco3)n2)C[C@@H](C)O1 25091381 UAQJADYZEWDELA-GHMZBOCLSA-N 306.387 2.581 0 40 DFAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1ccncc1 43482413 LLIXCBHIRVPTRG-RHSMWYFYSA-N 310.353 2.585 0 40 DFAB O=C(C[C@H]1C=CCC1)NCc1ccc(Cn2ccccc2=O)cc1 55624016 YYXQHGOECUQOJD-INIZCTEOSA-N 322.408 2.869 0 40 DFAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCO[C@H]2CCC[C@H]21 56197661 PKDRVNUHADEPOH-CABCVRRESA-N 316.332 2.874 0 40 DFAB O=C(NC[C@@H]1COCCO1)Nc1ccccc1OC1CCCC1 56630465 OYOHDQORVOSRAA-CQSZACIVSA-N 320.389 2.545 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@](C)(C(=O)O)C1 61908417 XMLWACMSFWUPPB-QGZVFWFLSA-N 314.341 2.587 0 40 DFAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)s1 26041379 UVKFKMALDYVMNQ-UHFFFAOYSA-N 320.414 2.802 0 40 DFAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1csnn1 35673422 IFEDYEBLVCEPFP-LBPRGKRZSA-N 322.459 2.557 0 40 DFAB O=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)OCO2 3217077 UCJWUEOFWNGXEU-UHFFFAOYSA-N 319.357 2.867 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 44572413 XVBRMLQZCYQQIH-TZMCWYRMSA-N 310.825 2.708 0 40 DFAB CC(C)n1ccc(C(=O)/N=c2/sc3ccccc3n2C)n1 101337958 KBOJUPDLZIJKKR-FOCLMDBBSA-N 300.387 2.758 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc2cccnc12 101100566 KDDJXDDCBGIAAL-UXOAXIEHSA-N 308.337 2.696 0 40 DFAB COc1cc(CNCCN(C)C)ccc1OCc1ccccc1 22075088 ZOBVMVYVHCFRKO-UHFFFAOYSA-N 314.429 2.925 0 40 DFAB Cc1ccc(N2CCC[C@@H](N(C)CCc3cccs3)C2)nn1 72276690 PGSKBDGMMUWXNP-OAHLLOKOSA-N 316.474 2.990 0 40 DFAB c1ccc([C@H]2CN(Cc3nc(-c4ccccn4)no3)CCO2)cc1 44975242 NYFYUCFLNVDUAQ-MRXNPFEDSA-N 322.368 2.705 0 40 DFAB CCCOC(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 2137032 ZNXZBLLPCFKXML-UHFFFAOYSA-N 308.403 2.722 0 40 DFAB Cc1ccc2nc(NC(=O)CCC(=O)NC(C)C)sc2c1 2270709 XCXOKKUHUHPMJR-UHFFFAOYSA-N 305.403 2.848 0 40 DFAB CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 58597309 JNBYOSDYFRRSKM-CYBMUJFWSA-N 321.364 2.714 0 40 DFAB Cc1ccc(CNC(=O)c2ccc[nH]2)c(OC[C@H]2CCOC2)c1 87485429 IXERRLFFFCHKQB-AWEZNQCLSA-N 314.385 2.668 0 40 DFAB Cn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cn1 11214407 XUIBJCACDFQETK-UHFFFAOYSA-N 310.313 2.518 0 40 DFAB O=c1c2ccccc2ncn1C[C@H](O)c1ccccc1Cl 48366215 JKNOSMDMSPOECS-HNNXBMFYSA-N 300.745 2.784 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)NCCc1cccc(F)c1 11714602 JPXBLQUBOGXZHR-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccccc2F)CC1 48366200 IBZBBSSZZACYEX-LBPRGKRZSA-N 316.380 2.969 0 40 DFAB C[C@@H](OC(=O)c1ccccc1Nc1ccc(F)cc1)C(N)=O 3494876 KZIQTNACLYCWDL-SNVBAGLBSA-N 302.305 2.600 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCC2CCCCC2)c(O)c1 3494684 UDGXZHJTBJKKMJ-UHFFFAOYSA-N 305.374 2.554 0 40 DFAB CN(Cc1ccccc1Br)c1ncccc1C(N)=O 13012307 KPUAADLFLQXISH-UHFFFAOYSA-N 320.190 2.579 0 40 DFAB NC(=O)Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1 97137269 VKWBKLVULIJOOC-UHFFFAOYSA-N 324.714 2.898 0 40 DFAB NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13955661 LMPKOGUXRHTRAM-SFHVURJKSA-N 319.364 2.589 0 40 DFAB CCN(Cc1ccccn1)Cc1ccccc1N1CCOCC1 93338902 ZQBKJWNVLZWJAN-UHFFFAOYSA-N 311.429 2.940 0 40 DFAB Cc1nn(C)c(Cl)c1CNC[C@@H]1COc2ccccc2C1 65465607 ACMHVRAYEQSTSN-GFCCVEGCSA-N 305.809 2.723 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 14190475 PIRCJGAONVCGQB-LLVKDONJSA-N 323.439 2.951 0 40 DFAB O=C(Nc1ccc(Br)cc1F)N(CCO)C1CC1 65604089 RHHJCAMAFFTYNA-UHFFFAOYSA-N 317.158 2.577 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 97378772 XDTONZQBWRRHPD-WMLDXEAASA-N 303.406 2.857 0 40 DFAB NC(=O)Nc1cccc(C(=O)OCCOc2ccccc2F)c1 7690748 PYRMCLSKBCDPLL-UHFFFAOYSA-N 318.304 2.552 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 16089420 DHHOXSFLPKIJME-JTQLQIEISA-N 318.236 2.870 0 40 DFAB Cc1ccccc1CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 8367392 PDOXJOPYMWPMBP-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB c1ccc2oc(CCCN3CCC[C@@H]3Cn3cncn3)nc2c1 69665180 GQLGZRRRUXXHAC-CQSZACIVSA-N 311.389 2.517 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CCN(C2CC2)C1 69679020 PCZRVPGDHGWNKN-LBPRGKRZSA-N 310.873 2.771 0 40 DFAB COc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)cc1Cl 84714795 QMYFJSLMRNROMA-IAQYHMDHSA-N 310.825 2.695 0 40 DFAB COCCCCCSc1nnc(-c2ccc(C)cc2)n1N 84174668 LQXCKXGDPVTNBT-UHFFFAOYSA-N 306.435 2.876 0 40 DFAB C[C@@H](O)CN(C)C(=O)NCc1cccc(OC2CCCCC2)c1 95983887 IKDDSIQWASSCRS-CQSZACIVSA-N 320.433 2.920 0 40 DFAB CC1CCC(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 95961185 FOMWEOHPEIQMEY-RUXDESIVSA-N 304.438 2.659 0 40 DFAB O=C(Nc1cc(F)cc(Cl)c1)N[C@H]1CCc2[nH]ncc2C1 95975312 BMLYMANNOGLKRW-NSHDSACASA-N 308.744 2.881 0 40 DFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 63765034 XQAJNNXXJGGMRS-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB Cc1cc(N2CCS(=O)(=O)C(C)(C)C2)nc2ccccc12 89600768 RHUMIWDSKTZOKJ-UHFFFAOYSA-N 304.415 2.557 0 40 DFAB O=C(NCCC1=CCCC1)c1c(Br)nc2n1CCC2 521394682 LMPHMFMKEHPKSP-UHFFFAOYSA-N 324.222 2.822 0 40 DFAB C[C@H]1CN(CC(=O)c2ccc(Br)cc2)C[C@H](C)O1 31912018 BJFYGRJZJFXIDM-QWRGUYRKSA-N 312.207 2.741 0 40 DFAB Cc1noc(CCCC(=O)N(C)c2ccc3ccccc3n2)n1 74061263 DYOZNQCAVJEEHA-UHFFFAOYSA-N 310.357 2.912 0 40 DFAB COCCO[C@@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 186675306 PXZUDGKRMRRMJZ-TZMCWYRMSA-N 324.446 2.572 0 40 DFAB COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C 30335414 HPHZUVSVFKSTQM-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB CCOc1ccc([C@]23NCCCN2C(=O)c2ccccc23)cc1 39281158 LCNNCYRODCJHDD-IBGZPJMESA-N 308.381 2.736 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCc2noc3ccccc23)CCO1 563373464 JWGNLTTUECSLLY-INIZCTEOSA-N 303.362 2.538 0 40 DFAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 42645971 SQJJLFUQZALKTH-UHFFFAOYSA-N 301.173 2.991 0 40 DFAB c1cc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)ccn1 72389914 RAKIMWOKFRORFN-OAHLLOKOSA-N 307.357 2.516 0 40 DFAB COC(=O)c1cc2cc(NC(=O)c3cnco3)ccc2s1 224063187 UNRKJPBPCMYYBH-UHFFFAOYSA-N 302.311 2.928 0 40 DFAB COc1ccc(COC(=O)c2cccnc2C(F)(F)F)cn1 225561997 VIMBADPROIMDNP-UHFFFAOYSA-N 312.247 2.861 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 48343565 QHBDVSFXENYARN-CYBMUJFWSA-N 314.410 2.726 0 40 DFAB CSc1ccccc1[C@@H](C)NC(=O)NCCc1cnccn1 225698312 KKIUBSNAHAKQHN-GFCCVEGCSA-N 316.430 2.801 0 40 DFAB CCCC[C@@H](C)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1 225703919 JLHPQTNZFUJBGV-CYBMUJFWSA-N 311.447 2.841 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1ccccn1 226851859 WOJCQDZPHIQZDA-CQSZACIVSA-N 322.368 2.982 0 40 DFAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccon2)cc1 81328736 YYYSGIWRMLRKIV-MRXNPFEDSA-N 314.385 2.847 0 40 DFAB Fc1ccc(C2(NCCOC[C@@H]3CCCO3)CCOCC2)cc1 96421118 IEKTVBAVBXSRRV-KRWDZBQOSA-N 323.408 2.617 0 40 DFAB CN(Cc1nc(N)c2ccccc2n1)[C@@H](CCO)c1ccccc1 96501489 KWZSZUOEMJYJBG-KRWDZBQOSA-N 322.412 2.768 0 40 DFAB CC1(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)CCOCC1 97102128 NVTLUTTTXYLRMH-AWEZNQCLSA-N 315.373 2.974 0 40 DFAB O=C(c1cccs1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041595 VBZAEFMTGJFFSX-GZBFAFLISA-N 307.415 2.547 0 40 DFAB COc1cccc(CN2CCC3(CC2)CCN(C(C)=O)CC3)c1 96158419 MTTRKMYXASXWST-UHFFFAOYSA-N 316.445 2.920 0 40 DFAB COc1ccc(C2CCN(Cc3cc(=O)c(O)co3)CC2)cc1 96444344 OLFQTPXWRNFXRZ-UHFFFAOYSA-N 315.369 2.734 0 40 DFAB O=S(=O)(Nc1ccc(F)cn1)c1cccc2cccnc12 96433473 NFPVHWYYFVMHCV-UHFFFAOYSA-N 303.318 2.570 0 40 DFAB CC(C)Sc1ccccc1NC(=O)NCc1ncnn1C 96474192 YJNIIGFXBQVYBH-UHFFFAOYSA-N 305.407 2.637 0 40 DFAB CCc1cc(NC(=O)NC[C@@H](C)Oc2ccccc2F)n(C)n1 96434947 RHMLWINUVFFVBX-LLVKDONJSA-N 320.368 2.711 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(F)c(F)c1F 97095794 AFWDMRKTZXPWDK-ZDUSSCGKSA-N 324.302 2.656 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2snnc2CC)C12CCCC2 96419202 WVNAIIRIKTUHLD-QWHCGFSZSA-N 323.462 2.910 0 40 DFAB CCc1ccc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)o1 96423157 XVVZYNYCFCIRDK-UHFFFAOYSA-N 314.385 2.516 0 40 DFAB O=C(NCCc1ccccc1)N1CCC(Cn2cccn2)CC1 85436389 CRADCTPJVJXETP-UHFFFAOYSA-N 312.417 2.547 0 40 DFAB c1ccc2oc(CN3CCOC[C@H](Cc4cnccn4)C3)cc2c1 257328008 XDTFYLSPSFESEY-OAHLLOKOSA-N 323.396 2.914 0 40 DFAB CN1CCCC[C@H](CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)C1 624245673 MLFMRNYWYTZYKV-HFTRVMKXSA-N 319.424 2.655 0 40 DFAB Cc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 585108132 WRWJJMJRESXQRN-RBUKOAKNSA-N 321.424 2.879 0 40 DFAB CC[C@H](C)N1C[C@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O 585099340 GJDAGIVCRQVCFU-YVEFUNNKSA-N 321.490 2.983 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cnco2)[C@H]1Cc1ccccc1 585269045 IRUSVFCHVSPELN-GJZGRUSLSA-N 300.358 2.537 0 40 DFAB CCCSCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 48628947 VFFPSVNORAUWBW-UHFFFAOYSA-N 323.386 2.765 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1 50897208 LDLRTTOPUCZEIW-UHFFFAOYSA-N 311.345 2.891 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)OC(=O)[C@H]1CCCN(C(N)=O)C1 78949072 CNVWOWFJBBCXDX-JKSUJKDBSA-N 318.417 2.650 0 40 DFAB COc1ccc(-c2csc(CNC(=O)[C@H]3CCCN3)c2)cc1 80956403 XVJDKWUMVPTFNK-MRXNPFEDSA-N 316.426 2.792 0 40 DFAB C[C@H](NCCOc1ccc(Br)cc1)c1cnccn1 89516692 VVLYIYKSQXXSEQ-NSHDSACASA-N 322.206 2.969 0 40 DFAB CC(C)Cc1noc(CS[C@H]2CCCN(C(C)C)C2=O)n1 89856580 LVNMTMJMKHUAQM-LBPRGKRZSA-N 311.451 2.901 0 40 DFAB O=C(Nc1cccc(N2CCCCC2=O)c1)NC1CCOCC1 193564690 IXEWFLUQOCLDPC-UHFFFAOYSA-N 317.389 2.504 0 40 DFAB Cc1n[nH]c(NS(=O)(=O)c2ccc(Cl)cc2F)c1C 89547778 QFEHDCBGYZVWCF-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB Cc1ccc(OC[C@]2(O)CCN(Cc3csc(C)n3)C2)cc1 1615191449 MFWDSUNWMKXRTP-KRWDZBQOSA-N 318.442 2.776 0 40 DFAB Cc1ccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1 17054607 SFJIWAIEPWEEPX-UHFFFAOYSA-N 318.384 2.982 0 40 DFAB Cc1cc2nccc([C@H]3CCCCN3C(=O)c3ccccn3)n2n1 19130673 QWIBGJVSIWHQBZ-OAHLLOKOSA-N 321.384 2.800 0 40 DFAB COc1ccc2oc(C(=O)OCC(=O)N3CCCC3)c(C)c2c1 4525022 IQPBQUXQXBIFOG-UHFFFAOYSA-N 317.341 2.529 0 40 DFAB c1ccc(OC[C@@H]2CCN(c3cnc4ccccc4n3)C2)nc1 1888959347 QTGOKDIDEIZCIR-CQSZACIVSA-N 306.369 2.930 0 40 DFAB O=C(Nc1ccc(Br)cc1Cl)C1=COCCO1 8777891 FXCZMIOWRHPGEQ-UHFFFAOYSA-N 318.554 2.929 0 40 DFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)s1 12600442 SUMJCWWBVQMYPE-IUCAKERBSA-N 309.774 2.535 0 40 DFAB CC(=O)Nc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl 100086215 GVHBENPOFSTJLI-RYUDHWBXSA-N 320.776 2.978 0 40 DFAB Cc1cc(O[C@@H](C)c2nc(-c3nonc3N)no2)ccc1Cl 32682 YYFKXIPQVQIXBZ-ZETCQYMHSA-N 321.724 2.804 0 40 DFAB CSCC[C@@H](O)CNC(=O)c1cc(Cl)ccc1Cl 1775967473 STYGMLRGLWFJNP-SECBINFHSA-N 308.230 2.837 0 40 DFAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccn1 8606877 JKQZVDSUUAAYMG-UHFFFAOYSA-N 310.744 2.975 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@H]1CCCO1 96418911 POIJSUKIHBPHNF-GFCCVEGCSA-N 310.191 2.733 0 40 DFAB Cc1cc(C(=O)NC2CCN(c3ncccn3)CC2)c(C)s1 40529272 SYPFMARQMADHDH-UHFFFAOYSA-N 316.430 2.554 0 40 DFAB CCc1cc2c(NCCC(=O)N3CCCC3)ncnc2s1 31866426 FWVUJZSAVSZDJZ-UHFFFAOYSA-N 304.419 2.678 0 40 DFAB CC(C)NC(=O)c1ccc(F)cc1I 32477098 QCBGVEDBZBUPDP-UHFFFAOYSA-N 307.106 2.569 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCNc1ncccn1)C2 102163960 WIFUFZBHADXOEO-AHIWAGSCSA-N 302.422 2.610 0 40 DFAB CC(C)CCN[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 32855737 PZOOERIJDHEGJF-LBPRGKRZSA-N 300.410 2.894 0 40 DFAB CSc1ccc([C@@H](C)NC(=O)CCNc2ncccn2)cc1 52750126 FQCPNRFPDWIPDG-GFCCVEGCSA-N 316.430 2.878 0 40 DFAB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 58378 OWDXJHGXQNRJKT-RVDMUPIBSA-N 307.305 2.818 0 40 DFAB O=C(c1cccc(Cl)c1)N1N=C(C(F)F)C[C@]1(O)C(F)F 204460 PEOGIYMLYULQPC-LBPRGKRZSA-N 324.661 2.761 0 40 DFAB CC(C)(C)NC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 299275 SKWGYJQEPNLWIN-UHFFFAOYSA-N 318.417 2.542 0 40 DFAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C(=O)O)cc1 547210 LNYMJMGDLOPINF-BQYQJAHWSA-N 316.338 2.504 0 40 DFAB C[C@H](OC(=O)CCCSc1ccc(Cl)cc1)C(N)=O 2659449 LQHQNRLNKBGADS-VIFPVBQESA-N 301.795 2.629 0 40 DFAB CCCCC(=O)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 2724911 YDPMEMNVNXKPTE-QFIPXVFZSA-N 317.414 2.763 0 40 DFAB COCCCNC(=S)NCc1ccc(Cl)c(Cl)c1 2780681 HCDIQCZLMMYIQW-UHFFFAOYSA-N 307.246 2.994 0 40 DFAB Cc1oc(C(=O)O)cc1CSc1nnnn1-c1ccccc1 3151107 NBBUXKFSQJEKQX-UHFFFAOYSA-N 316.342 2.554 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3437051 VZJYWMHLZJSHTF-UHFFFAOYSA-N 313.309 2.519 0 40 DFAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 4815823 HDBGJMIVLDJOSR-CQSZACIVSA-N 300.402 2.879 0 40 DFAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(F)cc1 4942319 PKNSLQDGIRBACE-CYBMUJFWSA-N 308.334 2.529 0 40 DFAB Cc1cs/c(=N\c2ccccc2)n1CCCN1CCOCC1 5299056 ZATNWHQMSZNXHB-ZCXUNETKSA-N 317.458 2.813 0 40 DFAB CCOC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 5398814 DMRMZHUYFQHIRZ-UHFFFAOYSA-N 308.337 2.627 0 40 DFAB CCN(CC)C(=O)COC(=O)c1cc2ccccc2cc1O 5841601 BIEGGOIXISCKDJ-UHFFFAOYSA-N 301.342 2.571 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 6184449 VJUZXMXXYWJIPF-UHFFFAOYSA-N 304.415 2.858 0 40 DFAB Cc1ccc([C@H]2C[C@@H]2C(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1 6788553 XYBFUWKBQOPFHB-MBNYWOFBSA-N 312.291 2.568 0 40 DFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 7071258 UDQKKJDMBFBMSD-MXFUOJGSSA-N 309.343 2.658 0 40 DFAB Cc1cc(C)n2c(n1)nc(=S)n2CN(C)Cc1ccccc1 8053199 VRUXFUMMXKNCPN-UHFFFAOYSA-N 313.430 2.967 0 40 DFAB Cc1cc(CSc2nnnn2-c2ccc(Cl)cc2)no1 8131245 FYXJLRFEIZQOQA-UHFFFAOYSA-N 307.766 2.904 0 40 DFAB CCn1nnnc1NCc1cccc(OCc2ccccc2)c1 8340107 RAHFYABBIZCHRE-UHFFFAOYSA-N 309.373 2.884 0 40 DFAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cn1 8515450 LPURWIHZEYMYOV-NSHDSACASA-N 324.336 3.000 0 40 DFAB COc1cc(NC(=S)NC(=O)C(C)C)c(OC)cc1Cl 9140316 VEUFZELPNPXREV-UHFFFAOYSA-N 316.810 2.826 0 40 DFAB NC(=O)c1ccc(COC(=O)CCn2ccc3ccccc32)cc1 10375790 MGDQEYNQODPKIJ-UHFFFAOYSA-N 322.364 2.874 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(N)=O)c(C)c1 15366350 NLILAHSHLFMCKD-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB O=C(OCCOc1ccccc1)c1cc(=O)[nH]c2ccccc12 15980325 JOJPYHUKQOFJIU-UHFFFAOYSA-N 309.321 2.764 0 40 DFAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)CC)ccc21 17286694 MEAYREIJYLZIKB-UHFFFAOYSA-N 310.419 2.528 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)C(C)C 19295910 QVGLJKQHJSZNQE-BZNIZROVSA-N 302.374 2.771 0 40 DFAB CCN1CCN([C@H](CC(C)C)c2nnnn2C(C)(C)CC)CC1 19499524 UMFXMAHSHWASKA-OAHLLOKOSA-N 322.501 2.543 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)n1 20722774 QQJYYIGFAJYCMD-OCCSQVGLSA-N 315.398 2.610 0 40 DFAB CCN(CC)CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 22704377 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2.547 0 40 DFAB CCN1CC2(CCC1=O)CCN(C(=O)c1ccsc1)CC2 1565542015 BAFYAOWPIGRTMI-UHFFFAOYSA-N 306.431 2.613 0 40 DFAB COc1ccccc1[C@@H]1CN(C(C)C)C[C@]12CCCCC(=O)N2 1615158911 SEXQUWUZFKDBBW-QFBILLFUSA-N 316.445 2.932 0 40 DFAB CS(=O)(=O)c1cccc2sc(N3C[C@H]4CCC[C@H]4C3)nc12 1888846826 XQDHHGDXKYACSD-PHIMTYICSA-N 322.455 2.936 0 40 DFAB CCCCn1ccn(-c2ccc(Br)cc2)c(=O)c1=O 2087050537 COZBDAVXYCFVAE-UHFFFAOYSA-N 323.190 2.562 0 40 DFAB COc1ccc(C)cc1C[S@](=O)[C@H](C)C(=O)NC1CCCC1 78556088 HHXMJVBBYHQSBG-MCMMXHMISA-N 323.458 2.700 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@@H]1N(C)C 78894969 QLHVQSLJFNYWTP-LRDDRELGSA-N 318.465 2.538 0 40 DFAB O=C(Nc1cccc(Cl)c1)OC[C@H](O)CN1CCCCC1 2045458 WEROOHVDFVFMFP-CQSZACIVSA-N 312.797 2.735 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1 53733663 XITNCDGAWHCXSK-VIFPVBQESA-N 314.320 2.878 0 40 DFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccs2)cc1 3239959 UWKVACZKVKCDJU-UHFFFAOYSA-N 318.354 2.502 0 40 DFAB C[C@]1(c2cccs2)NC(=O)N(Cc2cccc(F)c2)C1=O 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40 DFAB CN1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1=O 44350146 AXNNAQHRWXTLNR-BBRMVZONSA-N 320.820 2.776 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1 105615789 MYVNMLUAQNMNQG-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB Cc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccc1F 12601823 KAUWGHZFDMIHQM-UHFFFAOYSA-N 310.369 2.665 0 40 DFAB O=C(NCCCO[C@@H]1CCOC1)C1(Cc2ccccc2)CCC1 84525698 SMORDMAXWZISPN-QGZVFWFLSA-N 317.429 2.711 0 40 DFAB CN1CCN(c2nc3c(c(-c4ccccc4)n2)CCCC3)CC1 20798133 AAHWOQYRCBKXPL-UHFFFAOYSA-N 308.429 2.774 0 40 DFAB C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@H](C)O1 48250279 RKYIBANAXZTYRD-KBPBESRZSA-N 314.385 2.910 0 40 DFAB O=C(COCC1CC1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58279771 VIHDQEXJAINYCV-AWEZNQCLSA-N 322.836 2.709 0 40 DFAB O=c1c2sccc2ncn1Cc1ccn(-c2ccccc2)n1 58341985 KSMFUNLZVUCQFA-UHFFFAOYSA-N 308.366 2.692 0 40 DFAB COc1ccc(C)cc1NC(=O)CSc1nncn1C1CC1 12793350 NJQVCAMZDJPHJE-UHFFFAOYSA-N 318.402 2.661 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=S)NC(=O)c1ccco1 3313982 XCHQMVXTQRLIAC-LBPRGKRZSA-N 302.399 2.905 0 40 DFAB COCCn1cnnc1SCC(=O)c1cc(C)ccc1C 58808127 MZBSQXITUBSYIB-UHFFFAOYSA-N 305.403 2.516 0 40 DFAB O=C(Cc1cn2ccsc2n1)N(Cc1cccnc1)C1CC1 28515639 MMJUMLVNOUICGJ-UHFFFAOYSA-N 312.398 2.525 0 40 DFAB COc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1OC 3320380 BIPGNKUOBIPASJ-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB O=C(COc1ccccc1)NCc1ccccc1-n1ccnc1 20484479 SGWSJHBNTYKWSS-UHFFFAOYSA-N 307.353 2.568 0 40 DFAB COCCC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 28304519 HMWANBGUJPIPIP-UHFFFAOYSA-N 301.390 2.832 0 40 DFAB COc1cccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12873275 YSHOFQCFJBKCPY-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1ncnc2c1CN(Cc1cc(F)cc3cccnc13)CC2 97201808 GRXPOTREDIIFCV-UHFFFAOYSA-N 324.359 2.731 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2cccnc2Cl)c1 3442734 UWGSDIFWEXBFSJ-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB O=C(COc1nncc2ccccc12)N1CCc2ccccc2C1 3456494 PUAUNRCBESETMF-UHFFFAOYSA-N 319.364 2.594 0 40 DFAB Cc1noc(C2CCN(C(=O)c3scnc3Cl)CC2)n1 48919099 VPOXMUVWNZOEJA-UHFFFAOYSA-N 312.782 2.508 0 40 DFAB COc1ccc2cc(CN(C)C(=O)c3ccccc3)c(=O)[nH]c2c1 9159503 LQGSGRYHJGZPNA-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB c1ccc(OC[C@H]2CCCN2Cc2cnc3cnccn23)cc1 93364505 XLYSHCRYRKTXTB-OAHLLOKOSA-N 308.385 2.773 0 40 DFAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@H]1COc2ccccc2O1 4344910 PVENFFMOTIABFL-MRXNPFEDSA-N 321.336 2.855 0 40 DFAB C[C@@H](O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)OCCO2 13946017 JHARIDMUXVUNBI-SNVBAGLBSA-N 317.316 2.903 0 40 DFAB Clc1ccc(Cl)c(-c2nc([C@H]3COCCN3)no2)c1 96001487 REXDZFROVSWBBV-SNVBAGLBSA-N 300.145 2.704 0 40 DFAB COC(=O)[C@H](NC(=O)C1CCC1)c1ccccc1C(F)(F)F 65487911 ZCDQPAABKSFBCN-GFCCVEGCSA-N 315.291 2.836 0 40 DFAB O=c1ccccn1CCCCNc1noc(-c2ccccc2)n1 96011552 SAKWNIAIWDBBMQ-UHFFFAOYSA-N 310.357 2.791 0 40 DFAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CCNC1=O 14015081 LBBLDRPWJZIQDB-VIFPVBQESA-N 321.427 2.594 0 40 DFAB C[C@H](NC1CCCCCC1)C(=O)N1CC(=O)Nc2ccccc21 7130274 NFKQHKZQIWOKGD-ZDUSSCGKSA-N 315.417 2.673 0 40 DFAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NC2CCCC2)cc1C 22540453 ADXNTPPZACNKFZ-CQSZACIVSA-N 302.418 2.848 0 40 DFAB Nn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 71768792 ZHVUVRQXQUJQFM-UHFFFAOYSA-N 319.336 2.681 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)no1 7955179 VOEPWIYZYGACKS-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB Cc1csc2nc(CSc3nnc(C4CC4)o3)cc(=O)n12 9532493 WBDYTEIDDMZXEG-UHFFFAOYSA-N 320.399 2.617 0 40 DFAB Cc1[nH]c2ccccc2c1CCN[C@@H](C(N)=O)c1ccccc1 69388123 UNZVHUXJFXUUQC-GOSISDBHSA-N 307.397 2.835 0 40 DFAB CSCCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 83859390 HKPWCYPQOHECOL-MRXNPFEDSA-N 306.475 2.865 0 40 DFAB COc1cccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 8708251 URDBZQJBMJABRL-SFHVURJKSA-N 310.353 2.662 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)N(C)Cc2noc(C)n2)c1 97080856 RUSJKXNBIPRUTP-SNVBAGLBSA-N 304.350 2.749 0 40 DFAB CC(C)c1nc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)no1 72275552 HMIZVGZPUZTLQG-CQSZACIVSA-N 314.389 2.537 0 40 DFAB C[C@@H]1CCCCCN1C(=O)COCC(=O)N1CCCCC[C@H]1C 74657720 JAVSTELFGLNGSW-HZPDHXFCSA-N 324.465 2.585 0 40 DFAB COc1ccc(F)cc1CN1CC[C@H](C(N)=O)c2ccccc21 89457406 PEYOKNZFHKTCQT-HNNXBMFYSA-N 314.360 2.814 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)C1CC1 89689157 FWUTUNYWOVTBQP-SJORKVTESA-N 302.418 2.858 0 40 DFAB CC[C@@H]1CCCCN1CCNC(=O)CCc1nnc(C(C)C)o1 76094113 FUBOWJFZUXNSCG-CQSZACIVSA-N 322.453 2.506 0 40 DFAB Cc1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)n(C)n1 28243841 NJKPBZBQDMBNRV-UHFFFAOYSA-N 314.345 2.769 0 40 DFAB Cn1ccc(CC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)n1 558515197 ZKICAEICOHPPHY-ZDUSSCGKSA-N 303.793 2.632 0 40 DFAB Cc1cc(CNc2cc(C(=O)NCC3CC3)ccc2C)n(C)n1 517225577 PGUARZDZBJTEAA-UHFFFAOYSA-N 312.417 2.789 0 40 DFAB O=C(Cc1ccc(F)cc1F)N1CCc2ccccc2[C@H]1CO 185717651 ZVKWBNSSHCZBST-QGZVFWFLSA-N 317.335 2.626 0 40 DFAB O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1cc2cc(F)ccc2o1 124684854 HSMJVIAIDSTYEM-JTQLQIEISA-N 317.316 2.740 0 40 DFAB Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1=O 78933191 IIVPIEVESFGYPA-MRXNPFEDSA-N 311.385 2.538 0 40 DFAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C(C)C)cc1 32072873 BBIMIQFCADBNQO-CQSZACIVSA-N 312.479 2.819 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](O)(CN)c1ccccc1 72208045 ABCTVXSHTFGKGD-CRAIPNDOSA-N 320.433 2.623 0 40 DFAB CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224671084 KKNWPGQRGXFOLR-UHFFFAOYSA-N 319.382 2.673 0 40 DFAB O=C1O[C@H](Cn2nccc2-c2ccncc2)CN1c1ccccc1 195566213 XFSBDXZFOGZJKS-INIZCTEOSA-N 320.352 2.971 0 40 DFAB COC(=O)N1[C@H]2CCCC[C@H]1[C@H]1CC[C@@H]2CCN1C(=O)OC 45069507 RERJTUBMHHYGLD-RQJABVFESA-N 310.394 2.617 0 40 DFAB CCOCCCNC(=O)c1cc2cc(Cl)ccc2oc1=O 226042019 DOAQJNAQYXCIFW-UHFFFAOYSA-N 309.749 2.603 0 40 DFAB FC(F)(F)[C@@H]1CCC[C@@H](NC[C@@H]2COC3(CCOCC3)O2)C1 130360472 BTAOOGGRDJMXNW-JHJVBQTASA-N 323.355 2.619 0 40 DFAB C[C@H](NC(=O)N1CCOC[C@H]1C)c1cccc(N2CCCC2)c1 87281594 SPEJVEITBZTCLV-CABCVRRESA-N 317.433 2.778 0 40 DFAB C[C@H](C(=O)NCCCC[C@@H](C)NC(=O)[C@@H](C)C1CC1)C1CC1 573711790 JKYLKEMLDIIKQR-RDBSUJKOSA-N 308.466 2.870 0 40 DFAB COCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 44716115 HJRDXNZFFQQEPP-UHFFFAOYSA-N 324.424 2.791 0 40 DFAB CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1 224677014 KYYCWYVDFQUIFL-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB CC(=O)Nc1ccc(Cc2noc(-c3cccc(N)c3)n2)cc1 226102412 GTPVMVQNGOZTNO-UHFFFAOYSA-N 308.341 2.868 0 40 DFAB C[C@H](NC(=O)NCCSc1ccccc1F)c1cnn(C)c1 96440238 AJQVDHWCTGUNNS-NSHDSACASA-N 322.409 2.712 0 40 DFAB O=C(NCC1(Cc2ccccc2)CCC1)N1CCC(CO)CC1 96465896 GUEZJBOFDLUKQL-UHFFFAOYSA-N 316.445 2.813 0 40 DFAB CCC(=O)NCCCc1ccc(Br)cc1OC 96502296 MLKDBHHPQSDPSE-UHFFFAOYSA-N 300.196 2.917 0 40 DFAB N[C@H]1CCC[C@H]1CCS(=O)(=O)c1cccc(C(F)(F)F)c1 93623375 AZZKWURBQWNPPB-GWCFXTLKSA-N 321.364 2.997 0 40 DFAB O=C(c1cccnc1)N1CCC(Oc2ccc(Cl)cn2)CC1 96096912 YHZQQUHTBWQWRD-UHFFFAOYSA-N 317.776 2.814 0 40 DFAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccs2)C1 96455544 UEICVSPOHCMFKA-SCLGINMFSA-N 314.476 2.627 0 40 DFAB c1ccc(OC[C@@H]2CN(Cc3ccoc3)Cc3cncn32)nc1 247960859 OGNHKIUBPRPPHF-INIZCTEOSA-N 310.357 2.507 0 40 DFAB O=C(CCn1ncc2ccccc21)N1CCCC[C@H]1c1ccn[nH]1 257255029 KFUSDZKDSIYHDE-KRWDZBQOSA-N 323.400 2.903 0 40 DFAB Cn1ccnc1C(=O)N1C[C@H]2CCC[C@H](Cc3ccccn3)[C@H]2C1 257298232 RKTIVUSOPBBQCY-BFYDXBDKSA-N 324.428 2.546 0 40 DFAB O=C(Cn1cccc1)N1CCC(Oc2ccncc2Cl)CC1 390826758 PAALUHJTBYGJHT-UHFFFAOYSA-N 319.792 2.607 0 40 DFAB CCOC(=O)c1coc(/C=C/c2nc(C(=O)O)ccc2C#N)c1 390833866 OFFOPXAQFBADKV-GQCTYLIASA-N 312.281 2.592 0 40 DFAB O=C(c1ccnc(F)c1)N1CCC2(CC1)CC(N1CCCC1)C2 585101525 QDPQRMZLHYWGOA-UHFFFAOYSA-N 317.408 2.701 0 40 DFAB CCCCS(=O)(=O)N[C@H](C)c1nc2c(s1)CCCC2 71914105 IBMVHLBAUZFILG-SNVBAGLBSA-N 302.465 2.802 0 40 DFAB COC(=O)c1ccc(Cn2cnc3ccc(C)cc3c2=O)s1 95411108 YWBYJFNDZCHNQG-UHFFFAOYSA-N 314.366 2.601 0 40 DFAB CCNC(=O)c1ccc(OC(=O)c2scnc2CC)cc1 95432577 BEXCYOLRHCLZKP-UHFFFAOYSA-N 304.371 2.674 0 40 DFAB Cc1cc(C)n(CCCNC(=O)N2CCS[C@@H](C(C)C)C2)n1 78951283 NIGMDSHFMZYTMM-OAHLLOKOSA-N 324.494 2.673 0 40 DFAB O=C(NCCc1ccccc1)[C@@H]1CC(c2ccc(F)cc2)=NO1 5029860 WQEPOODODHBKSS-KRWDZBQOSA-N 312.344 2.678 0 40 DFAB Cc1nc2ccccc2[n+]2c(O)c(C(=O)C(F)(F)F)sc12 5724615 JPYHATDCCHKOML-UHFFFAOYSA-O 313.280 2.794 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cc(O)nc3ccccc23)cc1 5729164 QHRYQIHXJAOESZ-UHFFFAOYSA-N 308.293 2.891 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1 5752878 OBLGLDOZEVMSBT-UHFFFAOYSA-N 319.426 2.969 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C)C2)c2cccnc2n1 12254191 ZUJIVGQXTKCDSH-NJZAAPMLSA-N 310.401 2.695 0 40 DFAB O=S(=O)(Nc1ccc2ccccc2n1)c1ccc(O)cc1 14983433 NFPJZFYQVWPNNE-UHFFFAOYSA-N 300.339 2.741 0 40 DFAB Cc1cccc(-c2cc3nc(Cn4cccn4)cc(O)n3n2)c1 19235324 NTFDTLJDHGIYEV-UHFFFAOYSA-N 305.341 2.655 0 40 DFAB Cc1nn(C(C)C)cc1C(=O)Nc1cccc(-c2cnn[nH]2)c1 566630199 HXMSOXVIRPHBHW-UHFFFAOYSA-N 310.361 2.810 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1 7308956 FHBLAVNHTKREMM-SNVBAGLBSA-N 309.412 2.990 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)Cc1cc(C2CC2)on1 1889111449 UVIXHNCYLDJLMD-UHFFFAOYSA-N 300.358 2.955 0 40 DFAB CS(=O)(=O)/C=C/CNC(=O)c1ccc(-c2ccccc2)cc1 1889143340 MZAIRRGTOOAJNV-WLRTZDKTSA-N 315.394 2.642 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nccs2)C1 114741988 COYKSCODIJRMQF-GFCCVEGCSA-N 308.428 2.711 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc3ncn(C)c3c2)c1 12428210 XMIVOMZRLJRKQB-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB biogenic,in-vitro Cc1nc(-c2nnc(NC(=O)NCc3cccs3)o2)cs1 49029273 YAPQGNOQNAOFCD-UHFFFAOYSA-N 321.387 2.885 0 40 DFAB Clc1cnccc1N1CCC[C@@H](COc2cnccn2)C1 2298184032 ZLNBCEXXGOJSBY-GFCCVEGCSA-N 304.781 2.820 0 40 DFAB CCOc1ccccc1C(=O)NCc1cn2ccsc2n1 4956542 JZBMLMKINVSIIE-UHFFFAOYSA-N 301.371 2.725 0 40 DFAB NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C1 50245602 OFLVQQIUIDXQSU-QMMMGPOBSA-N 317.614 2.523 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 40526584 MVSLODWCFJZEOK-VXGBXAGGSA-N 310.419 2.600 0 40 DFAB CC(C)(NC(=O)C1[C@H]2CCC[C@H]12)c1ccc2c(c1)OCCO2 101477926 OKAQGHHRBZWYTJ-STQMWFEESA-N 301.386 2.855 0 40 DFAB COc1cc2ccccc2cc1C(=O)O[C@H]1C[C@@H](C)OC1=O 32736161 NDUSUPLBHNCEGC-BMIGLBTASA-N 300.310 2.709 0 40 DFAB CC(C)(C)c1ccc(C(=O)N[C@@H](O)C(=O)c2ccccc2)cc1 406806 VCJFXOHSQFGSCO-SFHVURJKSA-N 311.381 2.915 0 40 DFAB CC[C@@H]1CN(C(=O)c2nc(-c3cccs3)oc2C)CCO1 46764282 FBBHWAZPFFVZAQ-LLVKDONJSA-N 306.387 2.963 0 40 DFAB COC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 90089 GDEPLJPIEIYFCM-UHFFFAOYSA-N 322.324 2.595 0 40 DFAB CCn1nnc(NC(=O)c2cccc3c(Cl)cccc23)n1 557537 VOTMHOBVAJYVMW-UHFFFAOYSA-N 301.737 2.752 0 40 DFAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)NC1CCCCCC1 18750613 RUAFKBUWYNRTCL-LLVKDONJSA-N 322.380 2.792 0 40 DFAB CCn1cnnc1CNC(=O)N(C)[C@@H]1CCCc2ccccc21 46965045 NBDLZFWTCJMEKP-OAHLLOKOSA-N 313.405 2.517 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CCc2c(O)cccc21 78646373 FRYUQMTUTULTOS-OTYXRUKQSA-N 300.358 2.904 0 40 DFAB COc1ccc(CNc2cncc(Cl)n2)c(OC)c1OC 53573570 ANYJZQDZBHNUSN-UHFFFAOYSA-N 309.753 2.768 0 40 DFAB Cn1ccc2c(NC(=O)CCCNc3ncccn3)cccc21 79495002 FSSOIZPZKYVCMM-UHFFFAOYSA-N 309.373 2.799 0 40 DFAB C[C@H](CC(=O)O)NC(=O)CCSc1ccccc1Cl 37412209 ASOBYVIUMDVCFW-SECBINFHSA-N 301.795 2.802 0 40 DFAB O=C(Cc1noc2ccccc12)NCCSC(F)(F)F 47387927 HPYIPKCHWURCFB-UHFFFAOYSA-N 304.293 2.740 0 40 DFAB Cc1noc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 54122618 RMQWAYHFVKKSLS-UHFFFAOYSA-N 310.357 2.879 0 40 DFAB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4652126 GVYPEOMHGUHARS-GHSKTYPESA-N 321.760 2.810 0 40 DFAB Nc1nc(N)c(N=O)c(Nc2cccc(Br)c2)n1 4772249 TWFZHYUMDHTEMJ-UHFFFAOYSA-N 309.127 2.545 0 40 DFAB O=C(NC1CCCC1)C1CCN(C(=O)c2cccs2)CC1 7134334 RVMQYDYDHZTTAW-UHFFFAOYSA-N 306.431 2.659 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)NCCNC(=O)c1ccco1 43172475 GQFFEEKZZMAFLH-UHFFFAOYSA-N 321.764 2.793 0 40 DFAB Cc1ccc(-n2nc(C)c(C(=O)N3CCCC3)n2)cc1Cl 59843340 LGRSTRUGSKXUMV-UHFFFAOYSA-N 304.781 2.774 0 40 DFAB Cc1cc(C)c2nc(NC(=O)Cn3ccccc3=O)sc2c1 25403017 ZJWORUYHOCPLFJ-UHFFFAOYSA-N 313.382 2.714 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C 107494122 ZWTYJKVQIHRVLI-AJNGGQMLSA-N 321.421 2.544 0 40 DFAB Cc1ccc(Cn2ccs/c2=N/C(=O)c2cc(C)no2)cc1 102902206 QSVUVHDGWBIFGN-WUKNDPDISA-N 313.382 2.944 0 40 DFAB COCCNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 71913536 UNTJMJQVRJUKKK-UHFFFAOYSA-N 318.417 2.722 0 40 DFAB O=C(Nc1nnc(Cc2ccccc2F)s1)C1CCOCC1 108207991 UROVGXLYFFGSQT-UHFFFAOYSA-N 321.377 2.633 0 40 DFAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCC[C@H]3C)cc2)C1 57328131 SQEGZYQAQCQUAM-ZIAGYGMSSA-N 316.401 2.591 0 40 DFAB COc1ccccc1CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 12540435 GIDDYCDGWXVGNP-GFCCVEGCSA-N 309.369 2.991 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCCS(=O)(=O)c3ccccc32)o1 58173472 FHGHSRPLZVEYRM-ZDUSSCGKSA-N 319.382 2.627 0 40 DFAB FC(F)(F)c1ccnc(NCc2ccc(-n3cncn3)cc2)n1 44976388 ASOKPRRWEZVVLW-UHFFFAOYSA-N 320.278 2.688 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(Cl)s1 44971187 XBJMBJOTQZJOTG-SNVBAGLBSA-N 302.827 2.970 0 40 DFAB CCN(CC)[C@H](CNC(=O)COC1CCCC1)c1ccco1 58341700 BJLFOCIXZJULMQ-OAHLLOKOSA-N 308.422 2.738 0 40 DFAB Cc1noc([C@@H](NC(=O)Nc2ccncc2)c2ccccc2)n1 58316761 GEPDQKLDDPRFNO-AWEZNQCLSA-N 309.329 2.684 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccc2)c1C 12687573 IJYZQSMOKAHQLB-NSHDSACASA-N 300.358 2.909 0 40 DFAB CS(=O)(=O)Cc1ccccc1NC(=O)N1CCCCCC1 58665148 VUHOORMMOALQPX-UHFFFAOYSA-N 310.419 2.639 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(C=O)cc1 3386925 YQCXVYNFFOAHAZ-DVOMOZLQSA-N 317.385 2.597 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 3391961 UBEINPOWWFRHOJ-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB CSCc1nnc(S[C@H](C)C(=O)NC2CCCCC2)o1 12888544 SFFGXSKFRCQQDT-SECBINFHSA-N 315.464 2.862 0 40 DFAB CCC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 12981612 GJGRDORFASRTLY-LBPRGKRZSA-N 306.406 2.960 0 40 DFAB COc1cc(CCC(=O)Nc2ccccc2O)cc(OC)c1 13000737 WGXFYDFNQOABAM-UHFFFAOYSA-N 301.342 2.981 0 40 DFAB CN(C)C1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 72012849 ODSDDAUZEVEEHG-VXGBXAGGSA-N 306.372 2.908 0 40 DFAB O=C(CCCC1CCCCC1)N1CCC[C@@H](N2CCNC2=O)C1 64446026 QWXKGAXNVQOPCL-MRXNPFEDSA-N 321.465 2.753 0 40 DFAB CCCN(CCC)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 65593879 ZAXMJNXAVDSENC-LBPRGKRZSA-N 315.410 2.637 0 40 DFAB CC(C)(C(=O)NC1CCN(C2CC2)CC1)c1ccccc1F 65585790 IHURSUMFVPYJPE-UHFFFAOYSA-N 304.409 2.846 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)n1 14106120 XOOBVCYCDNFASM-SECBINFHSA-N 303.343 2.559 0 40 DFAB O=C(CCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCO1 65604287 VWFWJYSIPXRJBY-ZDUSSCGKSA-N 317.307 2.813 0 40 DFAB COc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)cc1 22931216 FIIXIBOWXGJFFR-UHFFFAOYSA-N 316.445 2.828 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2)N3)C1 4975209 FHZCWARZDJGPHN-CQSZACIVSA-N 315.398 2.871 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)n1 72235368 BXVGZFWUTNJDRO-GFCCVEGCSA-N 320.343 2.650 0 40 DFAB O=C(COC(=O)Cc1cccc(F)c1)Nc1cc(F)ccc1F 7491884 JYTHJWXQBWHDQI-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 72240529 RJDSGXFIUHWNEU-ZDUSSCGKSA-N 304.419 2.710 0 40 DFAB Cc1cc(S[C@H](CC(=O)O)C(=O)O)c2cc(F)ccc2n1 9423788 XHFPXCZNRNYZDN-GFCCVEGCSA-N 309.318 2.702 0 40 DFAB Cc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)o1 7974917 WHFGDQBUSYQTHH-ZDUSSCGKSA-N 321.421 2.567 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)COC 72287620 RBKNTLKEFUPMQN-NSHDSACASA-N 314.813 2.594 0 40 DFAB Cc1cc2ccccc2n1CC(=O)OCc1ccc(C(N)=O)cc1 16559902 ZRYDHUHTOWKBPP-UHFFFAOYSA-N 322.364 2.792 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2c2ncnc3sccc23)n1 69512586 BXPGCNVPAADJKV-LBPRGKRZSA-N 314.418 2.569 0 40 DFAB c1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cs1 69741519 CGYINHHEXKHDOT-AWEZNQCLSA-N 318.446 2.763 0 40 DFAB Cc1nc(CNC(=O)NCCC[C@@H]2CCCCO2)c(C)s1 97138059 HOETZCBKJCFIQW-ZDUSSCGKSA-N 311.451 2.908 0 40 DFAB c1cn2c(CN3CC[C@]4(CCOC4)C3)c(C3CC3)nc2s1 97230927 QINXXMLTGHGDBG-INIZCTEOSA-N 303.431 2.886 0 40 DFAB COC(=O)[C@H](NCc1cccc(OC)c1)c1cc(F)ccc1F 95431920 SROKJGGQNFMGHV-MRXNPFEDSA-N 321.323 2.977 0 40 DFAB OC[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccco1 95437397 JQTMJNFXFSLTNK-LLVKDONJSA-N 301.264 2.843 0 40 DFAB COc1ccc(C(=O)CNC(=O)Cc2c(F)cccc2F)cc1 95446091 QDNDXFAXUQAGAQ-UHFFFAOYSA-N 319.307 2.515 0 40 DFAB CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409092038 XCZZLXVQYDVGPT-NTUHNPAUSA-N 323.370 2.769 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(F)c(F)c1 95980324 YZWGQBTYGOQLFJ-AWEZNQCLSA-N 321.327 2.518 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccc(F)cc2n1 95956879 DOMWRZJWKDLBMY-NSHDSACASA-N 316.332 2.619 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccn1 95988426 HHVLHOMNHMRDCE-VIFPVBQESA-N 306.797 2.885 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@H](O)C1 74313831 NOWGKVALNFPLJH-DLBZAZTESA-N 314.360 2.572 0 40 DFAB CC(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)n(C)c1 89291873 DOCBGYQKYHJTGQ-UHFFFAOYSA-N 321.380 2.908 0 40 DFAB CCCn1c(SCCOc2cc(C)ccc2C)n[nH]c1=O 9910241 IIZAOCYUUKNYEP-UHFFFAOYSA-N 307.419 2.769 0 40 DFAB Cc1cccnc1NC(=O)CSCC(=O)Nc1ccccc1 409154769 OZPYRFPEVMZGFH-UHFFFAOYSA-N 315.398 2.700 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H](O)C2)c(Br)c1 43328536 NXYAQXBWFSHEOS-JTQLQIEISA-N 313.195 2.746 0 40 DFAB CC1(C)[C@@H](NCC2(CS(C)(=O)=O)CC2)C[C@H]1c1ccccc1 123555966 AWNADIOHZGTDPU-HOTGVXAUSA-N 321.486 2.983 0 40 DFAB Cc1nc(O)c(C(=O)NC[C@H]2CCCO2)cc1-c1ccccc1 530937015 FJIBBSVNOUHYGX-CQSZACIVSA-N 312.369 2.671 0 40 DFAB Cc1cnccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 79001667 VTZPNLLKESNWSF-GJZGRUSLSA-N 315.417 2.757 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 36635363 NPCWDNOIGUWUNS-OAHLLOKOSA-N 310.353 2.748 0 40 DFAB O=C(c1ccncc1)N1CCc2[nH]nc(Nc3ccccc3)c2C1 72368256 NSDNHAGFMMINSE-UHFFFAOYSA-N 319.368 2.747 0 40 DFAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 217435920 CVYWVAYSMDKNGF-SDADXPQNSA-N 323.348 2.643 0 40 DFAB CN1CCC[C@H](c2cncc(C(=O)N(C)C3CCCCC3)n2)C1 72387123 XGVGHIUKYKLUAS-AWEZNQCLSA-N 316.449 2.691 0 40 DFAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCCC2)cc1 40373348 GZHQVKXWQOAWRW-KRWDZBQOSA-N 307.434 2.662 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)Cc1c[nH]c2ccccc12 224294134 PTNMLDALBAFRKG-UHFFFAOYSA-N 323.400 2.822 0 40 DFAB CSC1(CNC(=O)Nc2ccc([S@](C)=O)cc2)CCC1 193861182 XBXOFMJFSZVLPC-FQEVSTJZSA-N 312.460 2.831 0 40 DFAB CC[C@H]1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc2O1 45795951 XNLWUNWBCVQRJB-OLZOCXBDSA-N 318.373 2.581 0 40 DFAB CCOc1ccc(CNC(=S)Nc2ncccc2OC)cc1 225432751 NBMNHGBVMIXOET-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)nn2)c(F)c1 530076966 UEELFFUROVRKKB-AWEZNQCLSA-N 301.321 2.607 0 40 DFAB COc1ncc(CN[C@@H](C)c2nc3c(s2)CCC3)c(C)n1 571500381 WAKAOPKKXJPBBN-JTQLQIEISA-N 304.419 2.590 0 40 DFAB COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224684302 QVXHYPUVFHUVIE-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB O=C(CCCc1ccccc1)NCc1ccnc(N2CCCC2)n1 224198420 IWKVBRHKYJXAFN-UHFFFAOYSA-N 324.428 2.716 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N[C@@H]1CC[C@@H](N(C)C)C1 195579920 QAVGCNVNNVSXBT-ZIAGYGMSSA-N 324.852 2.880 0 40 DFAB Fc1ccc(-c2ncnc3c2CCN(c2ncccn2)CC3)cc1 96255277 HSVGVCQKHYCBQE-UHFFFAOYSA-N 321.359 2.678 0 40 DFAB CC(C)c1ocnc1C(=O)Nc1cccc(Cl)c1C(N)=O 96443191 LCEVKMLPUYYELS-UHFFFAOYSA-N 307.737 2.803 0 40 DFAB CC(C)c1nnc2sc(Cc3ccc4c(c3)OCC4)nn12 95475457 PXBQIWQNKYBGTK-UHFFFAOYSA-N 300.387 2.835 0 40 DFAB Cc1cccc(Cl)c1OC[C@@H](O)COC1CCOCC1 96484795 OHXCGHJJXHZURW-LBPRGKRZSA-N 300.782 2.584 0 40 DFAB CC(=O)N1CCCN(C(=O)[C@@H]2CCCS2)c2ccccc21 96441091 VIKRWINTSDLVHM-HNNXBMFYSA-N 304.415 2.672 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)Cc3ccccc3C)CC2)CO1 96105830 MHFNONLOLAKVTP-QGZVFWFLSA-N 317.429 2.582 0 40 DFAB CN1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96079600 RFPPKERHGFBWFU-UHFFFAOYSA-N 300.446 2.645 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1c(C)nn(C(C)C)c1C)CC(=O)O2 95477878 SYBANYZPPDZFCJ-GFCCVEGCSA-N 315.373 2.519 0 40 DFAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2nccs2)nc1 257273035 NEYGROIAPGTFBT-HNNXBMFYSA-N 316.430 2.511 0 40 DFAB CCn1cc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)c(C)n1 257224060 FADVPKGDTRRLJZ-QGZVFWFLSA-N 313.449 2.707 0 40 DFAB Cc1cc2nc(C3CCN(c4cnccn4)CC3)cc(C)n2n1 257254118 KBRSUGXJNUMARB-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB CCc1noc(CN2CCC[C@H]2Cc2cccc(OC)c2)n1 69491446 MMQMRZDRBZQVSS-AWEZNQCLSA-N 301.390 2.848 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)c1 69454694 MCPFTAVHBUALID-AWEZNQCLSA-N 303.431 2.968 0 40 DFAB Cc1nc(CN2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cs1 69773947 LLAZCJLOWPDQIR-OAHLLOKOSA-N 319.474 2.842 0 40 DFAB Cc1cc(N2CCN(Cc3ccccn3)CC2)nc(C(C)C)n1 32819597 UQVGKTAZBRYVKY-UHFFFAOYSA-N 311.433 2.626 0 40 DFAB O=C(OC/C=C/c1ccccc1)c1ccc(N2CCOCC2)nc1 45731729 DCOGXEXTVOGTDH-QPJJXVBHSA-N 324.380 2.788 0 40 DFAB Cc1cccnc1OCC1CCN(C(=O)c2ccncc2)CC1 1775995648 CUJREZDHSIFMRM-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB CCc1cccc(N2CCC(NC(=O)C3CCOCC3)CC2)c1 61560843 MFSBMYSEZYNGOH-UHFFFAOYSA-N 316.445 2.761 0 40 DFAB O=C(/C=C/c1cnccn1)Nc1cccc(CN2CCCC2)c1 84374348 OFLLATASUIUDNO-VOTSOKGWSA-N 308.385 2.724 0 40 DFAB CCOC(=O)N1CCC(NC/C=C/c2ccccc2OC)CC1 89984726 BXLNVWWXFHJOTB-SOFGYWHQSA-N 318.417 2.919 0 40 DFAB Cc1ccc(NCCNC(=O)c2cc(C)c(F)cc2Cl)nn1 89652359 JGLSRGGTKHNGQP-UHFFFAOYSA-N 322.771 2.728 0 40 DFAB Cc1ccccc1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 95964238 ALTJTWSGASZZOW-HIFRSBDPSA-N 323.458 2.633 0 40 DFAB Cc1ccnn1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12221596 KGRGQXHOICDUJR-INIZCTEOSA-N 323.400 2.822 0 40 DFAB Cc1cccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)c1C 12236249 AZAFCVCCSJNMBF-LBPRGKRZSA-N 315.398 2.536 0 40 DFAB COc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 16092751 WTYGBEHTXQFJPB-UHFFFAOYSA-N 311.790 2.827 0 40 DFAB CC(=O)N1CCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 19755327 DJVYHZOYVXMOCJ-MRXNPFEDSA-N 324.384 2.721 0 40 DFAB CNC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 14939032 LFLMZOUNGKSEOV-UHFFFAOYSA-N 300.383 2.849 0 40 DFAB CC(C)[C@H](NC(=O)CCNC(=O)c1ccco1)c1cccs1 15182957 RHHODKNPFBXIRF-HNNXBMFYSA-N 320.414 2.975 0 40 DFAB CCn1nccc1CN(C)C(=O)c1ccc(Br)o1 28219195 JIWXGEIHMZOJKT-UHFFFAOYSA-N 312.167 2.531 0 40 DFAB Cc1ccc(C)c(/N=c2\scc(C)n2N2CCOCC2)c1 7572754 LYFGIUWLGBTELH-MSUUIHNZSA-N 303.431 2.675 0 40 DFAB Cc1ccc(-c2cc(CC(=O)NCc3cccnc3)no2)cc1 12422147 ZVSURVSEBOJIHO-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCn1c(=O)oc2ccccc21 23180467 OIKYNYOOPZBEIU-CYBMUJFWSA-N 302.374 2.776 0 40 DFAB COc1cnc(O[C@H]2CCN(c3ccc4ccccc4n3)C2)nc1 2086889618 CAXAESYPOVCDOY-AWEZNQCLSA-N 322.368 2.691 0 40 DFAB CCOC(=O)CCC(=O)N1CCS[C@H](c2ccco2)CC1 207006367 UEFYAESUGFPTEY-ZDUSSCGKSA-N 311.403 2.630 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(F)c(F)c1 85559843 RNUKJBSFSNKZAC-SFHVURJKSA-N 317.335 2.615 0 40 DFAB COCc1nc(C(=O)N[C@H](c2nc(C)cs2)C2CC2)cs1 96425475 KCYMMEPNSQGVIB-LBPRGKRZSA-N 323.443 2.936 0 40 DFAB CCCCc1ccc(NC(=O)CN2CCCN(C)CC2)cc1 40161496 LCYUSBJYOURRIA-UHFFFAOYSA-N 303.450 2.605 0 40 DFAB Cc1nc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cs1 40433188 JDAWKJBGUWPYDK-VIFPVBQESA-N 303.387 2.633 0 40 DFAB O=C1CCc2cc(C(=O)NCCc3ccsc3)ccc2N1 40510823 AEDHYJZUSIRYOX-UHFFFAOYSA-N 300.383 2.605 0 40 DFAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1Cc1ccco1 102492548 ICOHNIDIEWCACC-UHFFFAOYSA-N 321.336 2.794 0 40 DFAB O=C1NCCCC[C@H]1Sc1nnc2sc3ccccc3n12 32871691 MCUODQGUGQDGNZ-LLVKDONJSA-N 318.427 2.705 0 40 DFAB CSc1cccc(NC(=O)c2sccc2-n2cnnn2)c1 32833069 RURJWQUOSJQEGE-UHFFFAOYSA-N 317.399 2.698 0 40 DFAB Cc1ccc(-c2nc(CC(=O)NCC(F)(F)F)cs2)o1 32818118 VOZGZCOZUXQKLZ-UHFFFAOYSA-N 304.293 2.933 0 40 DFAB O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 32915242 UVRCKWLBLOCLRV-CYBMUJFWSA-N 319.744 2.532 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 33211984 BVEPINURXNFSSL-ZDUSSCGKSA-N 320.458 2.758 0 40 DFAB Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12 503770 QKLYIIRKSZCXCM-UHFFFAOYSA-N 322.397 2.911 0 40 DFAB COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1 517085 JLGNOXFDWZKPHI-UHFFFAOYSA-N 312.398 2.960 0 40 DFAB COc1cc(OC)cc(-c2[nH]c(C=O)nc2Br)c1 1857794584 BWOVMCWBUBTLLC-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB O=C(NCc1ccccc1F)c1nc(-c2cccs2)no1 2733110 VRYXVEDBUNNNBP-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 582546 FNMSAFJHFXPPDH-UHFFFAOYSA-N 318.398 2.626 0 40 DFAB COc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1 61366698 BAPOQKICOROKBD-UHFFFAOYSA-N 313.353 2.906 0 40 DFAB Cc1noc(COCC(=O)Nc2c(C)cccc2C(C)C)n1 78725296 RTHBJQNHJGGTSE-UHFFFAOYSA-N 303.362 2.965 0 40 DFAB COCc1c(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)oc2ccccc12 78894667 JIUWXKGCFBICMP-SWLSCSKDSA-N 316.401 2.601 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 4679966 YSXSBGVBEQGPRQ-HSMVNMDESA-N 324.446 2.748 0 40 DFAB CN(C(=O)c1ccc(N2CCNC2=O)cc1)C1CCCCC1 54304150 XSMSXVUUUKEFOL-UHFFFAOYSA-N 301.390 2.621 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1C 6946056 JCXWXBJOINQMEE-AWEZNQCLSA-N 304.415 2.870 0 40 DFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 6948630 OTSHXAXTMNIUPH-FLIBITNWSA-N 324.427 2.653 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(OC)c2)cc1 7214765 MBVVMTBWQSHKLF-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCC2CCCC2)[C@H]1c1ccccc1 57355419 VUGKNWCYZFCVLV-FUHWJXTLSA-N 314.429 2.903 0 40 DFAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999295 NLVUYHIOWJDERC-DDHJBXDOSA-N 315.339 2.843 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 8511455 DASWPRHZFIZMDP-WQGACYEGSA-N 308.447 2.549 0 40 DFAB CCc1nc2ccccc2n1CC(=O)NOCc1ccccc1 25038457 SQTKFHIJTJIHTQ-UHFFFAOYSA-N 309.369 2.847 0 40 DFAB CNC(=O)[C@@H](Cc1ccccc1)S[C@H](C)c1nc(C)no1 97114024 PIRSMNSXXHSYBD-ZWNOBZJWSA-N 305.403 2.530 0 40 DFAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 12555738 MGARIIFYWJDUEG-UHFFFAOYSA-N 323.396 2.888 0 40 DFAB CN1CCN(C[C@@H](O)c2ccc(F)cc2F)Cc2ccccc21 107350361 JZEFHJODSYXDNW-GOSISDBHSA-N 318.367 2.950 0 40 DFAB CCOc1ccccc1/C=C/C(=O)NCc1cccnc1OC 43738994 UWFMNFNMXAIRLQ-ZHACJKMWSA-N 312.369 2.819 0 40 DFAB O=C(Nc1ccc(N2CCOC2=O)cc1)NC(C1CC1)C1CC1 56767571 QKKVBWKMPSQIEO-UHFFFAOYSA-N 315.373 2.953 0 40 DFAB Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](O)c1ccccc1 57158317 ONCQDDSAOGGGBY-OAHLLOKOSA-N 319.788 2.877 0 40 DFAB COC1CCN(C(=O)Nc2cccc(Cn3cccn3)c2)CC1 44247527 BKXMAVQXSRBEMS-UHFFFAOYSA-N 314.389 2.574 0 40 DFAB CCCCS(=O)(=O)Nc1ccc2oc(C)c(C(=O)O)c2c1 56686525 MCENIFXQTLOUIX-UHFFFAOYSA-N 311.359 2.981 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1 97101563 WLSFSJIDSBYQAB-HIFPTAJRSA-N 321.387 2.701 0 40 DFAB COc1ccc(-c2nc(CC(=O)N(C)C)sc2C)cc1OC 58229909 ZFMHWXYEJXLRPS-UHFFFAOYSA-N 320.414 2.766 0 40 DFAB CN(C)c1ccc(N[C@H]2CC(=O)N(C3CCCCC3)C2=O)cc1 101130754 MXDZUSPAJFJVKI-INIZCTEOSA-N 315.417 2.625 0 40 DFAB C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(F)c(F)c1 12747181 KTZPBKBXWZIIHC-SNVBAGLBSA-N 322.311 2.555 0 40 DFAB CC(=O)Oc1c(-c2cn(C)nc2C)oc2ccc(F)cc2c1=O 55007532 SDWWIZXRPMQTHT-UHFFFAOYSA-N 316.288 2.566 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)CCO2 45830571 CMKLEVIUCUPGTR-UHFFFAOYSA-N 319.364 2.737 0 40 DFAB COc1ccc(-c2c(O)c3ccc(O)cc3oc2=O)cc1OC 11764653 QKJMWQMXQVPZBX-UHFFFAOYSA-N 314.293 2.888 0 40 DFAB biogenic CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 48346186 IRBOEPOMQZMIGP-AWEZNQCLSA-N 324.808 2.620 0 40 DFAB Cc1nc(-c2ccc(CC(=O)N3CCOC[C@H]3C)cc2)cs1 46253877 FQEVFGGDERZRCC-GFCCVEGCSA-N 316.426 2.908 0 40 DFAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccc[nH]1 2624284 YIBJWUBXGCFJRJ-UHFFFAOYSA-N 314.366 2.983 0 40 DFAB Cc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(Cl)c1 13000010 CLZKQGMYRZXMLZ-UHFFFAOYSA-N 319.792 2.920 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1 8942285 USNFUTYKEGQMHJ-UHFFFAOYSA-N 303.289 2.873 0 40 DFAB O=C(O)C[C@@H](NC(=O)COc1ccccc1)c1ccc(F)cc1 13176057 NSHWDAJLPJDPNZ-OAHLLOKOSA-N 317.316 2.537 0 40 DFAB O=C(NCc1ccccn1)NC1CCN(CC2CCCC2)CC1 63311828 CZOJHILNZLZJNO-UHFFFAOYSA-N 316.449 2.535 0 40 DFAB COc1ccccc1CC(=O)N[C@@H](CC(=O)O)c1cccs1 13388155 HCLBAQVUEVYUOJ-LBPRGKRZSA-N 319.382 2.631 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 4241579 NUVNFNVJYJQLRA-QWHCGFSZSA-N 309.337 2.861 0 40 DFAB CC(C)c1nc(CC(=O)NC[C@@H]2Cc3ccccc3O2)cs1 65390712 GWLWLBXCFJBVRK-AWEZNQCLSA-N 316.426 2.929 0 40 DFAB O=C(Nc1cn[nH]c1)N1CCC(CCc2ccc(O)cc2)CC1 84397978 XYKFTEFBFSFKSK-UHFFFAOYSA-N 314.389 2.992 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN1[C@H](C)CCC[C@H]1C)C2=O 6566043 FANBLNSUURMZTO-YXXKGXSTSA-N 307.438 2.708 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1 15365298 SIKYOBFUYWJCOW-UHFFFAOYSA-N 321.373 2.549 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 7056216 RCAYBHSZIGYHGE-UHFFFAOYSA-N 317.366 2.893 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1 7056291 LPGLLZHGMVMEAR-UHFFFAOYSA-N 324.302 2.941 0 40 DFAB CCOCC(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 7735731 MFSPBHRPCFJDEU-UHFFFAOYSA-N 310.733 2.835 0 40 DFAB CCN1C(=O)/C(=C\C=C\N(C(C)=O)c2ccccc2)OC1=S 16102012 SBQCNHUVEUNZTJ-MYUCQOFCSA-N 316.382 2.601 0 40 DFAB Cc1noc(CN(CCCO)[C@H]2CCCc3ccccc32)n1 81535196 BNRPJOIBKKXPOY-INIZCTEOSA-N 301.390 2.640 0 40 DFAB COC(=O)[C@](C)(NC(=O)c1cc(C)n(C(C)C)c1C)C1CC1 96412771 DRBRUASZIUGWBY-QGZVFWFLSA-N 306.406 2.757 0 40 DFAB C[C@H](NC(=O)NC[C@@](C)(O)c1ccc(F)cc1)c1ccco1 95442671 MRAXMHMTVDXJHS-MEDUHNTESA-N 306.337 2.687 0 40 DFAB OC[C@@H](CNc1ncc(Cl)cn1)Cc1cc(F)ccc1F 95406830 CBPHXLPLHCNMOR-SECBINFHSA-N 313.735 2.671 0 40 DFAB NC(=O)c1ccc(COC(=O)c2ccccc2OC(F)F)cc1 16807786 UVGVLWFJGXTALA-UHFFFAOYSA-N 321.279 2.744 0 40 DFAB CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccnc1 69348646 SEPOXHZXSBMBLM-UHFFFAOYSA-N 322.368 2.618 0 40 DFAB O=C(Nc1ccc(Cl)cn1)c1c(O)[nH]c2ccccc2c1=O 17029255 HKOBSFLJUJRYHR-UHFFFAOYSA-N 315.716 2.534 0 40 DFAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)nc1 69433090 QVNRCTRVPCVNAM-UHFFFAOYSA-N 309.369 2.765 0 40 DFAB O=C(NCCNC(=O)c1cccs1)c1cc2ccccc2o1 8401863 MXUKEOFIDFYNAF-UHFFFAOYSA-N 314.366 2.654 0 40 DFAB CC(C)c1nnc(NC(=O)c2ccccc2Br)[nH]1 69558157 SRLMSHHCCXGBKA-UHFFFAOYSA-N 309.167 2.943 0 40 DFAB O=C(NCCc1cccs1)c1cncc(Br)c1 8755716 UUWXXQGRWOMQAT-UHFFFAOYSA-N 311.204 2.878 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccccc1F 71858950 YZMHTKQBEVYBBB-WHEQGISXSA-N 319.401 2.779 0 40 DFAB CC(C)Cc1ccc(CNC[C@@](C)(O)c2cnn(C)c2)cc1 95410415 RUPJGPQIFWGSRQ-GOSISDBHSA-N 301.434 2.616 0 40 DFAB CCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(C)cc2)C1 19939050 AKXRNRGXBHHSET-UHFFFAOYSA-N 316.430 2.799 0 40 DFAB Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1C1CC1 95426781 GQVUAIDEJZWHPW-HOTGVXAUSA-N 320.458 2.786 0 40 DFAB Cc1cc(C)n2c(CNC[C@H]3CCO[C@@H]3C(C)(C)C)cnc2n1 95430374 PELBYAUZNSNVQS-ZBFHGGJFSA-N 316.449 2.887 0 40 DFAB FC(F)(F)c1ccnc(NCCc2nc(-c3ccco3)n[nH]2)n1 72287535 KZUAZYYKFXTSJE-UHFFFAOYSA-N 324.266 2.528 0 40 DFAB O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccncc1 72255193 RVHOEAQAYUFJNI-DLBZAZTESA-N 311.385 2.649 0 40 DFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C2CC2)[nH]n1 74213776 RGFBOZAYVSCZJL-UHFFFAOYSA-N 324.428 2.682 0 40 DFAB Cc1ccc(C)c(N2CN(Cc3cccnc3)CNC2=S)c1 20171465 BATBVNYBZDTPLJ-UHFFFAOYSA-N 312.442 2.810 0 40 DFAB Cc1nc(CCNC(=O)Nc2cnn(C(C)C)c2)sc1C 89559423 YKPBIQAAQJTZRN-UHFFFAOYSA-N 307.423 2.902 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c(=O)[nH]1 75120969 ORNVGTGQFZZOCX-MNOVXSKESA-N 302.296 2.534 0 40 DFAB Cc1ccc(CNC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)o1 76042726 MEFYRDIZRORDPL-WMLDXEAASA-N 303.406 2.806 0 40 DFAB COCc1nc(C)cc(NCc2ccc(-c3ccn[nH]3)cc2)n1 76091775 RTWTVUMJNDLZGB-UHFFFAOYSA-N 309.373 2.934 0 40 DFAB CCOc1ccccc1NC(=O)COc1ccc(CN)cc1 20027552 IXGJWTUFXBWFPJ-UHFFFAOYSA-N 300.358 2.562 0 40 DFAB O=C(NCCc1nc(-c2ccccc2)no1)c1ccc(F)cc1 32593778 TUSXYADEXVKWRB-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB Brc1ccc(-n2nnnc2NCc2ccco2)cc1 35178545 NPOXRZPOVIMGPE-UHFFFAOYSA-N 320.150 2.630 0 40 DFAB Cn1cc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1 72368576 XOVADUQKUZPBFM-HNNXBMFYSA-N 320.396 2.673 0 40 DFAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](Oc2ccncc2)C1 120764942 HJBTUVVUOPCRGO-OAHLLOKOSA-N 318.323 2.582 0 40 DFAB Cc1ccc(CNC(=O)Cn2ccc(=O)c3ccccc32)cc1 225717378 AUTPMEFRNVVWDZ-UHFFFAOYSA-N 306.365 2.626 0 40 DFAB Cc1cc([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@@H]2C)cc(C)c1F 195574529 WRMORAPMXSSEFY-OUCADQQQSA-N 315.410 2.600 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cn1 225902246 DDLRLFQTENVDAK-QGZVFWFLSA-N 322.405 2.641 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)OCC(C)C 42467190 MYAKNFHFSWTYNW-LLVKDONJSA-N 308.378 2.653 0 40 DFAB COCCNC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410633 KXTQWSKBFKQWAZ-UHFFFAOYSA-N 317.433 2.947 0 40 DFAB COc1ncccc1CN(C[C@@H]1CCCO1)[C@H]1CCSC1 225615615 LHLNHXDJKJCNFO-GJZGRUSLSA-N 308.447 2.577 0 40 DFAB O=C(CCc1ccccc1)N1CCCN(Cc2ccccn2)CC1 83243778 PGAVXEBRAYREID-UHFFFAOYSA-N 323.440 2.749 0 40 DFAB O=C1C[C@@H]2[C@H](CCN2Cc2nccs2)N1c1ccsc1 96055728 HPYVBVIQTMMUNU-NWDGAFQWSA-N 305.428 2.584 0 40 DFAB Cc1nc(COC(=O)c2cccc(-n3cccn3)n2)sc1C 96442720 CDFFRWXEEHBMEX-UHFFFAOYSA-N 314.370 2.698 0 40 DFAB Cc1cc(-c2nn3c(-c4cnn(C)c4)nnc3s2)sc1C 95478271 UINHYINZWHJFMN-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB CCc1cc(CNC(=O)N[C@@H](C)COc2ccc(C)cc2)[nH]n1 95399108 BHWVSXIBMLGEKY-ZDUSSCGKSA-N 316.405 2.547 0 40 DFAB O=C(NCc1cncc2c1CCN(Cc1ccccc1)C2)C1CC1 96189497 WMKNJJMSWVVBHG-UHFFFAOYSA-N 321.424 2.666 0 40 DFAB c1cncc(COCC[C@H]2CCOC3(C2)CN(CC2CC2)C3)c1 247896594 VBIXOHABKNAMOB-INIZCTEOSA-N 316.445 2.879 0 40 DFAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CC[C@@H]1Cc1ccccc1 242498488 HHYHPYOUGDVSDD-DYVFJYSZSA-N 305.374 2.987 0 40 DFAB CCOC(=O)c1c(N)ncn1-c1ccc(Cl)c(Cl)c1 256051780 KLWKUUXSOOXLRR-UHFFFAOYSA-N 300.145 2.938 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCO[C@H]1C(C)C 252581664 JYXQLKBSOCVLEA-RQJABVFESA-N 300.468 2.631 0 40 DFAB CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@H]2CCCc3cccc1c32 253369603 FMZFWXOWLBQHGL-BJJXKVORSA-N 307.459 2.964 0 40 DFAB CCn1nc(C(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)cc1C 257268801 MNGLOTIEOTVBJA-UNEWFSDZSA-N 305.422 2.631 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2cnco2)CC1 257299764 RRNGQHKUSCAOJY-UHFFFAOYSA-N 311.794 2.978 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2nccc(C3CC3)n2)c1F 530157156 OFMCEHSLDPOMSU-UHFFFAOYSA-N 307.350 2.602 0 40 DFAB Cc1cc([C@@H](NC(=O)CN2CCCCC2=O)C2CC2)ccc1F 270405053 HZSOHQIAUGPAPL-SFHVURJKSA-N 318.392 2.714 0 40 DFAB COc1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)nn1 283297898 YIOQPEWIHJWNMJ-KBPBESRZSA-N 319.430 2.635 0 40 DFAB O=c1[nH]ncc(N[C@H]2CCCOc3ccc(F)cc32)c1Cl 64916433 AKUVUSJKLUMZJD-JTQLQIEISA-N 309.728 2.888 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72235724 SSYPTTRBMKYGKQ-CYBMUJFWSA-N 304.419 2.742 0 40 DFAB O=C(NCC1CC1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56490833 WOQQIPNBKXPCHP-MRXNPFEDSA-N 302.374 2.618 0 40 DFAB CCn1cc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)cn1 56501463 FIWGDUNWSIIJMS-HNNXBMFYSA-N 300.362 2.978 0 40 DFAB CC(C)(C)c1cn2nc(Sc3nnnn3C3CC3)sc2n1 54044825 GEYVMWADXUJHNT-UHFFFAOYSA-N 321.435 2.561 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccccn1 55520346 RFMRRZLVTIZPFR-TZMCWYRMSA-N 319.405 2.658 0 40 DFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(OCc2cccnc2)cc1 54274776 YAZAHHLQUQSCOB-CQSZACIVSA-N 314.385 2.953 0 40 DFAB C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C(N)=O)cs1 92063912 MBMOGFXNIDXPNY-BDJLRTHQSA-N 316.426 2.671 0 40 DFAB CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 5659844 RTRUWPWZGBRYOS-UHFFFAOYSA-N 308.425 2.859 0 40 DFAB CC(C)(C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937563 COLPPYNJRRDHMV-UHFFFAOYSA-N 319.792 2.548 0 40 DFAB CN(C)[C@@H](CNC(=O)COc1ccccc1F)c1ccccc1 10017796 DCIHTZQJYXXRTB-INIZCTEOSA-N 316.376 2.624 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(c2nccs2)CC1 1889078537 VXCWYCXQMASCLT-UHFFFAOYSA-N 309.826 2.692 0 40 DFAB Cn1ncc2c1CCC[C@H]2NCc1cnn(Cc2ccccc2)c1 30908877 QNQFVERXZVSIKK-GOSISDBHSA-N 321.428 2.832 0 40 DFAB O=C(c1cc2ccccn2c1)N1CC[C@H](Oc2ccccn2)C1 238824782 DMCLDFSCQIVNEO-INIZCTEOSA-N 307.353 2.628 0 40 DFAB COCc1cncc2c1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565548004 ZWRUOXDKTYWLCS-HDJSIYSDSA-N 302.418 2.939 0 40 DFAB Cc1c(C)n2c(SCc3ccccc3Cl)nnc2[nH]c1=O 4250484 FRFKHYPVTZNMID-UHFFFAOYSA-N 320.805 2.980 0 40 DFAB CCc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 8499788 RMHAJIMSAVNKJV-UHFFFAOYSA-N 305.399 2.606 0 40 DFAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccn1 11027345 SPBYQBQKBXYIJH-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB COc1cnc(O[C@@H]2CCN(c3ccc4ccccc4n3)C2)nc1 2086889619 CAXAESYPOVCDOY-CQSZACIVSA-N 322.368 2.691 0 40 DFAB O=C(Cc1cccs1)NCCn1cc(-c2ccoc2)cn1 575615737 UIBVPMUPHVMPAF-UHFFFAOYSA-N 301.371 2.564 0 40 DFAB C[C@@H](N(C)C(=O)c1cccc(NS(C)(=O)=O)c1)C(C)(C)C 30423970 KRRONHFRJKAIHE-LLVKDONJSA-N 312.435 2.565 0 40 DFAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1cccs1 40118897 YGIOASSSWIWXPD-UHFFFAOYSA-N 302.355 2.953 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)CCCOc1ccccc1Cl 50574206 NKLXFQBHDAJZMJ-UHFFFAOYSA-N 321.808 2.891 0 40 DFAB COc1ccc2c(NCc3ccc4c(c3)OCO4)ncnc2c1 32544412 ISIXPSZININHSU-UHFFFAOYSA-N 309.325 2.979 0 40 DFAB C[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)N(C)C 32624426 ZSHKICKREAJGJT-SNVBAGLBSA-N 316.430 2.773 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)c2c(C)nn(C)c2C)cc1 32904048 LLRKQKPHVKPKGG-LLVKDONJSA-N 301.390 2.927 0 40 DFAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 74102 UEEAEAOABBACJA-UHFFFAOYSA-N 312.435 2.748 0 40 DFAB Oc1nncc(N2CCC[C@H]2C[C@H](O)c2ccccc2)c1Cl 78673889 UBYUHMZQJJKILD-JSGCOSHPSA-N 319.792 2.928 0 40 DFAB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@@]21C 4217667 GYRPICHNIDQFOD-RPZLJYRGSA-N 314.425 2.607 0 40 DFAB in-vitro CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 23224504 NGVJTRGCNLCDDT-CYBMUJFWSA-N 314.385 2.619 0 40 DFAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)c1 6731575 NEGQJMBXYFWYQC-BVIHXZOGSA-N 303.358 2.689 0 40 DFAB Cc1sc2ncnc(NCC(C)(C)N3CCOCC3)c2c1C 23324548 KQXYFFACRYKBSU-UHFFFAOYSA-N 320.462 2.831 0 40 DFAB Cc1cc(F)ccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23683422 QBPPHCQOBADLIY-WFASDCNBSA-N 308.378 2.527 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)NCCc1ccc(O)cc1 54632401 ZMAOAHKGHJLLEA-UHFFFAOYSA-N 309.369 2.560 0 40 DFAB COc1cccc(CN(C)C(=O)Nc2cccnc2)c1OC 24535508 VMGSEJCKGASSBI-UHFFFAOYSA-N 301.346 2.763 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 106916083 ZGBGTYGDPXRPQX-SOUVJXGZSA-N 316.470 2.793 0 40 DFAB O=C(C=C1CCCCC1)NCCc1nnc2n1CCCCC2 55982254 GGAPBZOIPYUQRC-UHFFFAOYSA-N 302.422 2.554 0 40 DFAB O=S(=O)(c1cccs1)N1CCC[C@H](c2nccs2)C1 114741367 GKNLXJFWMHKIDJ-JTQLQIEISA-N 314.457 2.773 0 40 DFAB Nc1ccc2nn(-c3ccc(F)cc3)nc2c1Br 20134572 OSGBNGCCUTUBDM-UHFFFAOYSA-N 307.126 2.904 0 40 DFAB Cc1ccnc2nc(C(=O)OCC(C)(C)c3ccccc3)nn12 57752299 LWRHOSQSIBOCTN-UHFFFAOYSA-N 310.357 2.567 0 40 DFAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)[C@H]1CCCO1 28574326 BXRFSZDQEAPNQC-CQSZACIVSA-N 323.755 2.841 0 40 DFAB Cc1nccn1-c1ccc(CNc2ncnc3[nH]cnc23)cc1F 58141367 MLAUEBSMPVGPMF-UHFFFAOYSA-N 323.335 2.598 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2ccnn2C(C)C)cc1 44888993 ASTDHBBKHYGHCW-UHFFFAOYSA-N 316.405 2.543 0 40 DFAB COCCOCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 58245165 RLBJJPQTZPMVMS-UHFFFAOYSA-N 304.346 2.642 0 40 DFAB COc1c(CN[C@@H]2CCOc3c(C)cccc32)c(C)nn1C 58421569 PCBXTSXGLOSNGK-OAHLLOKOSA-N 301.390 2.659 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N2CC[C@H](OCC(C)C)C2)C1 110680839 GBDFDXRCBSMFOU-MELADBBJSA-N 300.468 2.727 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c(C)c1 24432905 ITXLSJWLUOVJJT-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CS(=O)(=O)c1ccc(Oc2ncnc3ccsc23)cc1 48391414 ZYSJMGBYIQNVKG-UHFFFAOYSA-N 306.368 2.887 0 40 DFAB CCOC(=O)C1CCN(c2ncnc3sc(C)cc23)CC1 28162576 QQRSLISYSVMWLH-UHFFFAOYSA-N 305.403 2.779 0 40 DFAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1C(=O)O 12990870 KNVJHIZDRJVIBZ-BQYQJAHWSA-N 319.748 2.732 0 40 DFAB COC(=O)c1ccc(CSc2ncccc2C(=O)O)cc1 13188373 ZSEGMXFEKVZNHX-UHFFFAOYSA-N 303.339 2.859 0 40 DFAB CCCCCC(=O)O[C@H](CN1CCCCC1)CN1CCCC1=O 3902390 RJTTYKVWRQNGDH-MRXNPFEDSA-N 324.465 2.587 0 40 DFAB Cc1cc(F)ccc1-c1ccc(CN2CCS(=O)(=O)CC2)o1 93047750 RFDFZPOIHDLIKI-UHFFFAOYSA-N 323.389 2.625 0 40 DFAB Cc1nc(CSCC(=O)N[C@@H]2CCCc3ccccc32)no1 63922694 CBFXIBFJSMYAJX-CQSZACIVSA-N 317.414 2.805 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1 71285064 GMQSSXFQAHZXSQ-OLZOCXBDSA-N 318.373 2.576 0 40 DFAB COc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cn1 14167326 GZQDHTGMFXISSW-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB CCOc1ccc(NC(=O)Cc2n[nH]c(=S)n2CC)cc1 4739110 WQEHUJVKPMCSHQ-UHFFFAOYSA-N 306.391 2.540 0 40 DFAB Cc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)nc1 9469735 AAJFERFYNCIABW-UHFFFAOYSA-N 322.368 2.519 0 40 DFAB C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cnn(C)c1 80150397 NDJAZXJDHICZIW-ZDUSSCGKSA-N 322.478 2.942 0 40 DFAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2 7254372 IKYCVPZNDAPUMZ-UHFFFAOYSA-N 322.320 2.958 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2N)CC1 67800703 JDXWZUNEWAEBFF-UHFFFAOYSA-N 309.385 2.901 0 40 DFAB CCNC(=O)N1CC[C@H](N[C@H]2CCSc3ccccc32)C1 90409806 AJELRQIZYVDPGU-JSGCOSHPSA-N 305.447 2.617 0 40 DFAB Cc1ccccc1C[C@@H](CNC(=O)c1occc1C)C(=O)O 97018823 MTQZTHRRBFTTQD-AWEZNQCLSA-N 301.342 2.570 0 40 DFAB CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2COCCO2)cc1 71799893 HCLYPVPGMLOIGP-DOMZBBRYSA-N 309.431 2.780 0 40 DFAB O=C(O)c1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 96480471 UDFYSCVLZIFRAM-CVEARBPZSA-N 313.328 2.944 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1cnn(-c2ccncc2)c1C 90632683 KRLKVEBOPDWQAP-OAHLLOKOSA-N 316.430 2.891 0 40 DFAB Cc1ccc(C(=O)N2CCCN(c3nccs3)CC2)c(C)n1 71830817 XBTYBYQFTLSSRI-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CCS[C@H]1CCCCN(C(=O)c2ccc3[nH]nnc3c2)C1 71899424 QYQXKYQCMVQATA-LBPRGKRZSA-N 304.419 2.706 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 8279745 QPZKGTKEDQEBBT-UHFFFAOYSA-N 308.337 2.869 0 40 DFAB Cc1noc([C@H]2CCCN(c3nc4ccccc4cc3CO)C2)n1 91455030 TUHBLQWWUGCKJV-AWEZNQCLSA-N 324.384 2.803 0 40 DFAB COc1ccccc1CN1CCN(C(=O)C[C@H]2C=CCC2)CC1 69564191 ACUXNFWVCBDSGT-INIZCTEOSA-N 314.429 2.696 0 40 DFAB COc1cccc(CS(=O)(=O)NCc2sccc2C)c1 71910747 SPYFQLIURGJQTF-UHFFFAOYSA-N 311.428 2.685 0 40 DFAB Cc1ccoc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69666786 TVRRMZQGLQAMTL-GFCCVEGCSA-N 306.312 2.875 0 40 DFAB CN(C(=O)c1cnccn1)[C@@H](c1cccc(F)c1)c1ccccn1 69811754 IHYMHSZHIPKSJI-KRWDZBQOSA-N 322.343 2.872 0 40 DFAB COc1ccccc1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 95434558 DIEZOEBQEVIAGB-KRWDZBQOSA-N 311.381 2.939 0 40 DFAB CCc1cc(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)on1 95400952 KYAWZFJAJJDIII-HNNXBMFYSA-N 315.373 2.787 0 40 DFAB CC(C)CC[C@](C)(O)CNc1ncc(Br)cn1 95960975 YIDUCCPUSJWQKX-LBPRGKRZSA-N 302.216 2.838 0 40 DFAB CN(CCO)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 95986520 YKKZIDMZINESHU-CQSZACIVSA-N 302.443 2.840 0 40 DFAB CC(C)Cn1cc(NC(=O)NC[C@](C)(O)c2ccsc2)cn1 76082083 ACVZKAJHBVHKLN-HNNXBMFYSA-N 322.434 2.630 0 40 DFAB CN1CCC(C(=O)NCCSCc2ccccc2F)CC1 174436846 ZBTSXZRJHRXYGW-UHFFFAOYSA-N 310.438 2.517 0 40 DFAB C[C@H]1C(C(=O)O)=NO[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl 64220228 CHXMPJORIWTSSV-IGJIYHIXSA-N 323.658 2.599 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c1 34916223 YUEGUBDOWNMWSE-INIZCTEOSA-N 308.381 2.664 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 78671058 NZILGGMOWTWOJO-HZPDHXFCSA-N 307.438 2.869 0 40 DFAB C[C@]1(c2ccccc2)CC[C@H](NCC2CCN(CCO)CC2)C1 187975753 JWLGATTWNVIPRV-PMACEKPBSA-N 316.489 2.791 0 40 DFAB O=S(=O)(c1ccco1)N(CCN1CCCC1)c1ccccc1 188715801 QBKVGLDMOFDTLY-UHFFFAOYSA-N 320.414 2.571 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1 40088042 HLVKEUVECNVYMX-MRXNPFEDSA-N 314.316 2.966 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC[C@H](Oc2cnccn2)C1 225793149 FJFBWRDXOJDLFM-ZDUSSCGKSA-N 309.325 2.516 0 40 DFAB CC(C)OCCCNc1ccc(N)cc1C(=O)N1CCCC1 225491197 QRCOCIRUNBELDH-UHFFFAOYSA-N 305.422 2.732 0 40 DFAB COc1cccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 42646606 GNFMAXABLPAMOA-ZDUSSCGKSA-N 312.369 2.554 0 40 DFAB O=C(NCc1cnn2ccccc12)c1nc2ccccc2s1 75162819 BHGVXDSCYSRTDT-UHFFFAOYSA-N 308.366 2.874 0 40 DFAB COc1ncc(CN[C@H](C)c2nc3c(s2)CCC3)c(C)n1 571500382 WAKAOPKKXJPBBN-SNVBAGLBSA-N 304.419 2.590 0 40 DFAB O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H](O)c1ccccc1 88350289 KYRVAQFSJAJKOL-INIZCTEOSA-N 311.316 2.684 0 40 DFAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CC 223559522 KVUXTKMKROGICI-HNNXBMFYSA-N 304.434 2.773 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 221251464 NUFHKZGSNPPTQP-VXGBXAGGSA-N 312.410 2.863 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1c1ccncc1Cl 195574077 GMTJXOQPFOCTCR-CQSZACIVSA-N 305.765 2.613 0 40 DFAB CCC1(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CCC1 96502252 QOKTZUUPLARIOH-CQSZACIVSA-N 310.438 2.751 0 40 DFAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 96685582 HQVRRUZKNZBQJC-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB COc1cc(-c2ccccc2)ccc1CNCc1ncn(C)n1 96500613 WUYIBQFELBPZEY-UHFFFAOYSA-N 308.385 2.781 0 40 DFAB Cc1nc(-c2ccccc2)nc2c1CCN(C[C@H]1CCOC1)CC2 96254555 MSUXZCWEZQFBBI-MRXNPFEDSA-N 323.440 2.889 0 40 DFAB Cc1cc(CS(=O)(=O)Cc2ccc(F)cc2Cl)no1 40528380 PQVOLJCPGQELJM-UHFFFAOYSA-N 303.742 2.891 0 40 DFAB CS[C@H]1CCC[C@@H]1NC(=O)NCCCc1c(C)nn(C)c1C 96490504 SYBBVOWFFPDBIV-GJZGRUSLSA-N 324.494 2.553 0 40 DFAB Cc1ccc2ccccc2c1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617959 NOHHJTIWFLUMIJ-IBGZPJMESA-N 322.412 2.750 0 40 DFAB 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COc1ccccc1OCCNC(=O)CSc1ccccc1 15380968 KRRSZPCHFIZORU-UHFFFAOYSA-N 317.410 2.983 0 40 DFAB C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1cccc(N2CCCC2)c1 158598498 SNFQJTODAXEKQP-WHEQGISXSA-N 323.462 2.518 0 40 DFAB Nc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)OCCO2 20429571 JMDJQSPTGPFAMH-UHFFFAOYSA-N 304.733 2.946 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1F 32411536 XSTKMNKDGWKZEP-UHFFFAOYSA-N 311.403 2.943 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)nc2ccccn12 3230515 SCAVKYLLIOMMQO-UHFFFAOYSA-N 315.716 2.969 0 40 DFAB Cc1noc(C)c1CN1CCC(N(C)c2ccccn2)CC1 1889083373 UTNXLZQCBZCLGV-UHFFFAOYSA-N 300.406 2.787 0 40 DFAB Cc1cccc(CN2CC[C@@H](COc3ccc(F)cn3)C2)n1 1889098475 UZVWTPWOFIMUSH-CQSZACIVSA-N 301.365 2.825 0 40 DFAB COc1ccc(NC(=O)c2cc(Br)ccc2O)cn1 28812845 JVNRPXZISGFTRH-UHFFFAOYSA-N 323.146 2.811 0 40 DFAB COCCN1CC[C@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 2055745926 QHPOZCIVVNWKQW-YOEHRIQHSA-N 310.388 2.507 0 40 DFAB CC(C)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 2055729900 ZMIKPYZRUNNYFT-YXJHDRRASA-N 317.433 2.688 0 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C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)cn1 95417745 CFJZXVYHXJYOHG-ABAIWWIYSA-N 304.777 2.977 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)c1cccc(-n2cnnn2)c1 20427741 FKQHTGNMJPZPEP-CYBMUJFWSA-N 301.394 2.607 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1 4174531 ULIGECURQQTWQX-KRWDZBQOSA-N 322.408 2.918 0 40 DFAB O=C(NCCn1ccnc1)Nc1ccc(F)c(C(F)(F)F)c1 65439758 BLJCSDNFUCXESJ-UHFFFAOYSA-N 316.258 2.863 0 40 DFAB COc1ccc(NC(=O)NCc2cccc3c2OCCO3)cc1 65519603 JRIONJLRRRFQHS-UHFFFAOYSA-N 314.341 2.788 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 93809199 VRDXEBGTYMUADX-GFCCVEGCSA-N 316.323 2.673 0 40 DFAB Cc1cc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 93920072 ZIXNCPKCFSSLKH-ABAIWWIYSA-N 318.446 2.555 0 40 DFAB Cc1cc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)[nH]n1 84111409 YFPNCGAXKPFFTI-AWEZNQCLSA-N 309.417 2.984 0 40 DFAB CO[C@](C)(C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccccc1 80718720 PSWPEICVDFXQGI-PHSGOXPASA-N 316.445 2.680 0 40 DFAB COc1cc(/C=C\C(N)=O)ccc1OCc1cccc(F)c1 409416260 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CC[C@@H](NC(=O)CNC(=O)c1ccccc1C)c1ccccc1 72274654 SLIQZUZEMNOAAN-QGZVFWFLSA-N 310.397 2.992 0 40 DFAB Cc1nc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cs1 84271968 SKLJSENJOWYHPG-LLVKDONJSA-N 304.375 2.689 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)n2cc(Br)cn2)s1 28224461 VBSDRHLOBIITGJ-SSDOTTSWSA-N 315.196 2.610 0 40 DFAB COC(=O)c1coc(C(=O)N(CC2CC2)c2cccnc2)c1 97115679 BBCIIIOLOVYVSV-UHFFFAOYSA-N 300.314 2.518 0 40 DFAB CC[C@@H]1NC(=O)N(CCOc2ccc(C(C)C)c(C)c2)C1=O 72311034 CSFIWPVNOWPXTP-HNNXBMFYSA-N 304.390 2.828 0 40 DFAB Cc1nc(Nc2cnn(CC(C)C)c2C(C)C)nc(N(C)C)n1 95452085 DJEKLTNTUVZGHF-UHFFFAOYSA-N 317.441 2.966 0 40 DFAB CC[C@](C)(NC(=O)[C@H](C)Sc1ccc(OC)cc1)C(=O)O 95424536 GSXKFLFPGQXQRS-BONVTDFDSA-N 311.403 2.545 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2ccccc21 88198200 PCTPHINPSIKEJW-CVEARBPZSA-N 324.428 2.912 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)N1CCC2(CCOCC2)C1 98014430 AHXLVDAQZQYJLO-CQSZACIVSA-N 320.408 2.969 0 40 DFAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCCc1ccccn1 88268352 BPIIZWJBSKSUKQ-HOTGVXAUSA-N 318.417 2.642 0 40 DFAB C[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CC(C)(C)O1 95960159 KLQCSMAGUVWBPK-ZIAGYGMSSA-N 303.402 2.969 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2CCO)C1 95987575 GJGABFNRPNAOJX-BFHYXJOUSA-N 300.468 2.607 0 40 DFAB Cc1cc2c(cc1C)[C@@H](NC[C@H](O)c1cnn(C)c1)CCCO2 95968539 TWZNRCMIBASLOP-IRXDYDNUSA-N 315.417 2.574 0 40 DFAB CC(=O)c1cccc(NC(=O)NCCCn2nc(C)cc2C)c1 27928004 LUBABXFUUMIWCF-UHFFFAOYSA-N 314.389 2.914 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1 76067373 PJQGQGZNUPGTND-CABCVRRESA-N 317.462 2.768 0 40 DFAB O=C(Cc1ccco1)N1CCn2c(-c3cccs3)cnc2C1 306131678 KMALTCWFRXVWPS-UHFFFAOYSA-N 313.382 2.790 0 40 DFAB Cc1cccc(-n2nc(C(N)=O)nc2-c2ccc(Cl)cc2)c1 408696215 XUELWVDMVXOWML-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc1 38666524 OMUBRJZXKVZCBA-CYBMUJFWSA-N 317.414 2.875 0 40 DFAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1cc[nH]n1 72386111 JLSFHSDQQFKFPX-OAHLLOKOSA-N 303.337 2.681 0 40 DFAB C[C@H](c1ccccc1)N1[C@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1029195539 UETKQKNTKJTHBG-PVAVHDDUSA-N 322.412 2.527 0 40 DFAB Cc1nc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)o1 181881951 PNIOQHMISCRDDC-ZDUSSCGKSA-N 302.330 2.546 0 40 DFAB Cc1ccn2c(NC(=O)CO[C@@H]3CCCC[C@@H]3C)nnc2c1 121913788 RVXXPPUMOOMPKX-QWHCGFSZSA-N 302.378 2.572 0 40 DFAB CCCNC(=O)[C@H]1CCCN(c2ccc(SC(C)C)nn2)C1 79089420 SAVDESHRWJYIPW-ZDUSSCGKSA-N 322.478 2.720 0 40 DFAB Cc1cc(N)ncc1C(=O)CCCCNC(=O)OC(C)(C)C 72218540 PGGVVGFYVQJHOJ-UHFFFAOYSA-N 307.394 2.850 0 40 DFAB O=Cc1cccn1CC(=O)Nc1cccc(Br)c1 72331903 FWZZGXWBNUTZJW-UHFFFAOYSA-N 307.147 2.702 0 40 DFAB COc1ccc(CC(=O)NCCCc2ccccc2OC)cc1 216398562 BAPZALRLRIYOHX-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB CCC[C@@H](C)[C@@H](CO)NC(=O)CSc1ccc(OC)cc1 566372356 NVHAZOPIJQTSLL-IUODEOHRSA-N 311.447 2.701 0 40 DFAB CCOCCOc1ncc(NC(=O)C2(OC)CCCC2)cc1C 225887764 RKUQOTZXGFNBCY-UHFFFAOYSA-N 322.405 2.703 0 40 DFAB CCOC(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1 48088893 KUIBBPUOEOECNH-UHFFFAOYSA-N 324.808 2.573 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225212746 PMPQWSIPQOSQKO-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB COC(=O)N1CCC(N[C@@H](C)c2ccc(OC)c(C)c2)CC1 195558103 CFUAUOJNDYFQSI-ZDUSSCGKSA-N 306.406 2.885 0 40 DFAB O=C(Cc1noc(-c2cccc3[nH]ccc23)n1)NC1CCCC1 89101544 FCOXHNWAXCULAN-UHFFFAOYSA-N 310.357 2.819 0 40 DFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NC(C)C)cc1 225432502 MMCHSBKKHCOALX-JTQLQIEISA-N 304.346 2.542 0 40 DFAB biogenic,in-vitro C[C@]1(C(=O)NCCc2ccccc2)CC(c2ccccc2)=NO1 96192743 NNGMVJKEIHJAJU-LJQANCHMSA-N 308.381 2.929 0 40 DFAB c1csc(CN2CCCn3cnc(Cn4ccnc4)c3C2)c1 96259465 JFGNOXCGAFSAPR-UHFFFAOYSA-N 313.430 2.595 0 40 DFAB O=C(Cc1ccc(F)c(F)c1)Nc1nncn1-c1ccccc1 96493769 VLBQYIFVRRZMOH-UHFFFAOYSA-N 314.295 2.727 0 40 DFAB CCn1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n1 96192473 PXKMNSCALDHVPG-MRXNPFEDSA-N 316.336 2.564 0 40 DFAB c1cc(CN2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)co1 96046061 ZZPMSZZAXRHDKB-RRFJBIMHSA-N 315.373 2.892 0 40 DFAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccccn2)CC1 96029444 MYXUAWNEKBUCHC-UHFFFAOYSA-N 305.422 2.600 0 40 DFAB COC(C)(C)C(=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257275162 NOEBQKKTKGLKRD-GUTXKFCHSA-N 321.392 2.867 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@H](c4cnccn4)C3)c2n1 257322352 WFQRJCHOGGQKLW-HNNXBMFYSA-N 322.416 2.516 0 40 DFAB OCCN1CCC2(CC1)CO[C@@H](Cc1cccc(Cl)c1)C2 257218924 DEVUTJUPDFSIAN-INIZCTEOSA-N 309.837 2.746 0 40 DFAB Cc1cccnc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257304869 SNLPIGSAKYHOGW-RTBURBONSA-N 312.413 2.794 0 40 DFAB O=C(/C=C/c1cccs1)N[C@@H](Cn1nccn1)c1ccccc1 253408844 YULYNSUCOLLEFZ-FDMDGMSGSA-N 324.409 2.911 0 40 DFAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2c2ncccn2)n1 257233867 GRCKAINMBFIQHH-AWEZNQCLSA-N 321.388 2.697 0 40 DFAB Cc1c[nH]c(-c2cnc([C@H]3CCCN3Cc3cccnc3)cn2)n1 257201925 AJQNPQDHWRTNJV-QGZVFWFLSA-N 320.400 2.907 0 40 DFAB COc1ccc(C)cc1CN1CCC[C@H]1Cn1nc(C)nc1C 69511819 ZWHIEVFRBPPQDM-KRWDZBQOSA-N 314.433 2.877 0 40 DFAB CCc1ccc(C(=O)NC[C@H](CO)Cc2ccsc2)cc1 32803153 QINXPPMBQOXLFX-OAHLLOKOSA-N 303.427 2.892 0 40 DFAB Brc1ccccc1CN1CCC2(CC1)OCCO2 45749101 ADRRDPRPZBYJDV-UHFFFAOYSA-N 312.207 2.788 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)NCC(=O)Nc1ccccc1 56372167 USWDEPVXYLWYIM-CYBMUJFWSA-N 315.373 2.539 0 40 DFAB O=C(C1CCCCC1)N1CCN(C[C@H](O)c2cccs2)CC1 56921527 WBGYXPKUDHNAQN-HNNXBMFYSA-N 322.474 2.506 0 40 DFAB Cc1ccc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)cc1 1068676880 JICOXFXILSWBDO-UHFFFAOYSA-N 324.428 2.834 0 40 DFAB CS(=O)(=O)N1CCC(c2ccccc2Br)CC1 187181582 LXYYHXPQKKHCOV-UHFFFAOYSA-N 318.236 2.588 0 40 DFAB Cc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)nn1C 95983417 GDZFSPNDABOIRJ-UHFFFAOYSA-N 300.145 2.993 0 40 DFAB O=C(O)/C=C/C(=O)Nc1ccc(Cl)cc1Br 97137 LEBAUUBYLQYLFD-ONEGZZNKSA-N 304.527 2.682 0 40 DFAB Cc1cc([C@H](O)CN2CCN(c3ccccn3)CC2)c(C)s1 12330478 VNUJCNATMCPRGU-MRXNPFEDSA-N 317.458 2.616 0 40 DFAB O=C(CNC(=O)[C@H]1CC=CCC1)Nc1ccc(F)c(F)c1F 14249835 FPFUSXUYYBHLBT-VIFPVBQESA-N 312.291 2.515 0 40 DFAB COc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(OC)cc1C 10233839 BUCXJSPNJVXKOW-GFCCVEGCSA-N 313.419 2.575 0 40 DFAB O=C(NC1CCCCC1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888866326 ZMOUDCHWMJOKKH-BETUJISGSA-N 320.462 2.553 0 40 DFAB Cc1noc(C)c1C(=O)NCCc1ccc(-c2ccnn2C)cc1 1889184599 MNMWBOAATXDYJQ-UHFFFAOYSA-N 324.384 2.664 0 40 DFAB C[C@H](C[S@@](C)=O)N(C)CCCOc1ccc(Cl)cc1 545226325 AZLSBASBIPBHSQ-CWTRNNRKSA-N 303.855 2.808 0 40 DFAB CCOC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O 52124 GNTVWXJGIAJGJL-LLVKDONJSA-N 318.325 2.634 0 40 DFAB biogenic CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)c1 127121 WOZUBRQXYRWKMP-HNNXBMFYSA-N 318.373 2.665 0 40 DFAB CCn1c(C)cc(O)c(C(=O)Nc2cccc(Cl)c2)c1=O 13115411 MRUAJKZQRFCZNZ-UHFFFAOYSA-N 306.749 2.788 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)NCC3CCC3)c(C)n2n1 31440496 RQEJWGSSKAMICH-UHFFFAOYSA-N 300.406 2.503 0 40 DFAB COC(=O)[C@H](C)n1cnc2scc(-c3ccccc3)c2c1=O 144757 IRMDHLRFBJDQOP-JTQLQIEISA-N 314.366 2.859 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN(c2cccc(Cl)n2)CC1 20405490 SLEADZJXIWHDQQ-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1OC 40512601 RGLQNEXHBRXLPO-NSHDSACASA-N 304.346 2.881 0 40 DFAB NC(=O)c1cccc2c1CCCN2CCOc1ccc(F)cc1 52688013 SIQCNXNKTSNSEL-UHFFFAOYSA-N 314.360 2.756 0 40 DFAB CC(C)c1noc([C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)n1 46815112 WOTWPCMOWOTQQR-JTQLQIEISA-N 324.406 2.738 0 40 DFAB CCCCNC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 2809224 KFWMJSZLCKBIRD-UHFFFAOYSA-N 319.426 2.920 0 40 DFAB C[C@@H](Sc1nncn1C)C(=O)NCC1CCCCCCC1 79179933 UCUPLBCOWDACAR-GFCCVEGCSA-N 310.467 2.772 0 40 DFAB Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1cnccn1 1652871 PXCGVMAVEXNLHU-UHFFFAOYSA-N 313.338 2.719 0 40 DFAB CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OC)=C1C 3076074 PLTKUZRJIQBCNQ-CYBMUJFWSA-N 308.765 2.873 0 40 DFAB COCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 4341932 MFHHSGWIAQPARB-UHFFFAOYSA-N 303.387 2.512 0 40 DFAB COc1cccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1 4850525 FEHYCJLJLFBTBD-UHFFFAOYSA-N 322.364 2.783 0 40 DFAB CC(C)N(C(=O)CN1CCC(N2CCCCC2)CC1)C(C)C 4968998 RXLUKGPAOICQGF-UHFFFAOYSA-N 309.498 2.582 0 40 DFAB COCCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1 6380199 UCFPMGRLNCXJER-UHFFFAOYSA-N 315.369 2.650 0 40 DFAB CCCc1nnc(S)n1CC(=O)N1CC[C@H]2CCCC[C@H]2C1 23432449 NYUYOMQNFYLHSS-OLZOCXBDSA-N 322.478 2.558 0 40 DFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccccc1 10544201 GXMOXCJDOLFDIK-HNNXBMFYSA-N 310.463 2.620 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)o1 12599791 VAVXNJHUYOTSFI-JVLSTEMRSA-N 307.390 2.994 0 40 DFAB S=C(NCc1cccs1)NC1=NN(c2ccccc2)CC1 48041814 KZOVZBRIKHBWTB-UHFFFAOYSA-N 316.455 2.936 0 40 DFAB COc1cccc(-c2noc(C(=O)NCc3cccs3)n2)c1 1428574 DAEWHQRPWUEHLH-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB Cc1cccc(C(=O)N2CCN(Cc3ccccc3C)CC2)n1 25384946 BACNLLHOVOMSKJ-UHFFFAOYSA-N 309.413 2.656 0 40 DFAB Cc1ccc(-c2nnc3s/c(=C/c4ccc(C)o4)c(=O)n23)cc1 9189057 RNNNLNVIBBQRFA-NTEUORMPSA-N 323.377 2.576 0 40 DFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)c1cccs1 35022320 IXYJEFWRVRUJAV-UHFFFAOYSA-N 304.390 2.892 0 40 DFAB c1ccc(-n2ncc(CNc3cccc(-c4nc[nH]n4)c3)n2)cc1 95431148 MXSKDQQWGZNBCC-UHFFFAOYSA-N 317.356 2.665 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccccc2)CC1 57334563 NIRMOQCRVCFQCY-AEFFLSMTSA-N 315.461 2.504 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@H]1OC(=O)c1cccc(C(=O)NC)c1 95418647 QWCHHIKKJLZWOR-LSDHHAIUSA-N 319.401 2.797 0 40 DFAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F 57975549 QNHGCPIDBMLUBL-LLVKDONJSA-N 322.327 2.599 0 40 DFAB CN(CCOc1cccc(Cl)c1)C(=O)/C=C/c1cnn(C)c1 44874064 VYRLFFPGWZEZKT-VOTSOKGWSA-N 319.792 2.624 0 40 DFAB CCOc1ccc(S(=O)(=O)Cc2noc(C(C)(C)C)n2)cc1 44947524 GYTQDBKFPXTAEZ-UHFFFAOYSA-N 324.402 2.740 0 40 DFAB COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 58323923 CXCCNIFSNLUQQE-LBPRGKRZSA-N 315.291 2.873 0 40 DFAB Cn1nnnc1NCc1ccccc1OCc1ccccc1F 22112049 KEVBNSKGMXNRPN-UHFFFAOYSA-N 313.336 2.540 0 40 DFAB Cc1cnc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)s1 10626627 GHNACCVJISLOEQ-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB Cc1cn2nc(N3CCO[C@@H](c4ccccc4)C3)sc2n1 29588144 QZOHOADNYATZLH-CYBMUJFWSA-N 300.387 2.677 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](c1ccco1)N(C)C 2616976 LVWOMQRQXCCEJB-CYBMUJFWSA-N 303.362 2.713 0 40 DFAB O=C(COc1ccccc1Cl)NC(=O)NCc1ccccc1 3602874 IPPWUWUITQGWKJ-UHFFFAOYSA-N 318.760 2.745 0 40 DFAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1 113970957 KRVXYRPMBLBTPD-QGZVFWFLSA-N 304.434 2.671 0 40 DFAB O=C(CNc1ccccc1Cl)NC[C@@H]1Cc2ccccc2O1 63644623 OZAILZBFMUTUPD-ZDUSSCGKSA-N 316.788 2.872 0 40 DFAB C[C@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(F)c(Cl)c1 49340072 UOJFJMWIRAFUCV-ZJUUUORDSA-N 300.761 2.970 0 40 DFAB Cc1ccc(Sc2ncccc2C(=O)OCCO)c(C)c1 84142081 GQMCTTUCLITXHW-UHFFFAOYSA-N 303.383 2.999 0 40 DFAB O=C(Nc1nccs1)[C@H](c1ccccc1)N1CCCCC1=O 65522222 BHSJUEWACRKHQA-AWEZNQCLSA-N 315.398 2.835 0 40 DFAB COc1cc(CC(=O)N(CC2CC2)C2CC2)cc(OC)c1OC 65549792 ULGLEQZUHYYHKS-UHFFFAOYSA-N 319.401 2.656 0 40 DFAB Cn1c(O)c(C(=O)NC2CCCCCC2)c(=O)c2ccccc21 6557227 FXDFHZFROKVKTI-UHFFFAOYSA-N 314.385 2.697 0 40 DFAB O=C1CCCN1c1ccc(NC2CCN(CC(F)F)CC2)cc1 96008826 NNAVTAUWWMEQHW-UHFFFAOYSA-N 323.387 2.955 0 40 DFAB Cc1cc(CS(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)on1 72275125 HOYQZFJOJPLABP-UHFFFAOYSA-N 324.377 2.617 0 40 DFAB Cn1ccc(NC(=O)CCCc2nc3ccccc3s2)n1 14899597 GZWPNMIYZSRBQI-UHFFFAOYSA-N 300.387 2.991 0 40 DFAB Cc1c(C(=O)N[C@H]2CCc3nccn3C2)oc2ccc(F)cc12 97197387 OEOZROMFZDXKBU-LBPRGKRZSA-N 313.332 2.822 0 40 DFAB CC(C)CCNC(=O)c1sccc1NC(=O)c1cnccn1 67335454 USZFNDHQCXXBKT-UHFFFAOYSA-N 318.402 2.566 0 40 DFAB C[C@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 9450258 BBGLOEJCSINJCV-NSHDSACASA-N 322.792 2.897 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 97112747 UJNQMTCFQVUDIK-OWCLPIDISA-N 317.433 2.817 0 40 DFAB CC[C@@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1F 90468502 QUOIEXQDFJOODL-SMDDNHRTSA-N 303.374 2.583 0 40 DFAB CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 15831504 NZPKXBIZUOBOOR-INIZCTEOSA-N 316.401 2.640 0 40 DFAB CC(C)Oc1ccccc1CNC[C@@](C)(O)C(=O)OC(C)(C)C 97143570 JXHRNGGXOUJUDC-GOSISDBHSA-N 323.433 2.656 0 40 DFAB COc1cc(F)cc(CNC(=O)N[C@H]2CC[C@@H](SC)C2)c1 94037023 VVYAUVFPKCFAAD-GXTWGEPZSA-N 312.410 2.918 0 40 DFAB CC(C)(C)CC(=O)N1CCC2(CC1)N=C(O)[C@H]1CCCCN12 96429890 OLAPJKRPPBLWQE-CYBMUJFWSA-N 307.438 2.566 0 40 DFAB NC(=O)c1ccccc1OCc1nc(-c2ccc(F)cc2)no1 8221224 BULRNZLCIPXUFC-UHFFFAOYSA-N 313.288 2.554 0 40 DFAB CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 8340509 WBBVEYYEHCGZMG-GJZGRUSLSA-N 320.820 2.905 0 40 DFAB O=C(CCNc1ncccn1)NCCCc1ccc(Cl)cc1 69493789 VOPZDXXROLUMOH-UHFFFAOYSA-N 318.808 2.681 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2nc(-c3ccco3)no2)c1 69597515 RRCVJFDAJMMTFJ-NWDGAFQWSA-N 301.350 2.574 0 40 DFAB Fc1cccc2[nH]c(CN3CCCC[C@H]3Cn3cccn3)nc12 69659367 SZLTXJUQVVFYRC-ZDUSSCGKSA-N 313.380 2.953 0 40 DFAB COc1cccc(OCCNC(=O)Nc2c(C)noc2C)c1 69737908 QXKNTGBJPLXFFC-UHFFFAOYSA-N 305.334 2.501 0 40 DFAB Cc1ccsc1CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C 69844300 BGVZZKMDONELBK-IHRRRGAJSA-N 320.458 2.710 0 40 DFAB Cc1cc(CS(=O)(=O)Cc2coc(-c3cccs3)n2)on1 69806442 GOAGOAMYUYCGHQ-UHFFFAOYSA-N 324.383 2.815 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2ccc3c(c2)OCO3)n1 8754928 NHPBFVRXVDXHBK-UHFFFAOYSA-N 304.371 2.743 0 40 DFAB CCOCCS(=O)(=O)Cc1ccc(Br)cc1C 95993713 ANXGIFCFCJLLEI-UHFFFAOYSA-N 321.236 2.709 0 40 DFAB O[C@@H](CN[C@H]1CCSC1)COc1cccc(C(F)(F)F)c1 95967451 DIGYWEMYLFAITA-RYUDHWBXSA-N 321.364 2.540 0 40 DFAB CCc1cnc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)s1 74843298 CZLSVWNXRCCHPG-NSHDSACASA-N 319.434 2.518 0 40 DFAB O=C(OC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccnnc1 89834922 IPXYHYZPTLBUIR-MRXNPFEDSA-N 311.385 2.546 0 40 DFAB CCCNC(=O)[C@H](C)Nc1ccn([C@@H](C)c2ccccc2)n1 89960160 SCNXBDQSXZKSMX-KBPBESRZSA-N 300.406 2.819 0 40 DFAB CC(=O)Nc1cc(C(=O)Nc2c(O)cccc2F)ccc1F 76083480 OKLDEWIBICNXLO-UHFFFAOYSA-N 306.268 2.881 0 40 DFAB C[C@@H]1NC(=S)N(c2ccc3c(c2)OC2(CCCCC2)O3)C1=O 32855766 SLLFXHXLAYFSCL-JTQLQIEISA-N 318.398 2.728 0 40 DFAB CCCn1nc(C)cc1NC(=O)c1ccc(OC)c(OC)c1 32647751 ALAJKQJTGWAZQZ-UHFFFAOYSA-N 303.362 2.871 0 40 DFAB COc1ccc(-n2nc3oc4cc(O)ccc4cc-3c2=O)cc1 33020966 IYULCEUOMFBFDQ-UHFFFAOYSA-N 308.293 2.798 0 40 DFAB CC(C)NC(=O)COC(=O)c1ccc(Oc2cccnc2)cc1 78985824 NVIYDTWXNXHDQG-UHFFFAOYSA-N 314.341 2.555 0 40 DFAB O=C(COc1c(Cl)cc(Cl)cc1CO)N1CCCCC1 35662631 OLJZZSCRRBGBCA-UHFFFAOYSA-N 318.200 2.877 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)Cc2cncs2)C12CCCCC2 188155381 MKHGXLIZDGZILB-KBPBESRZSA-N 308.447 2.930 0 40 DFAB CCCCn1c2ccc(C(N)=O)cc2c2cc(C(N)=O)ccc21 73634170 QSBDMZUNVCESHC-UHFFFAOYSA-N 309.369 2.792 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NC(C)(C)C2CC2)C1 75212560 CDZLBNATZLLYQC-DGCLKSJQSA-N 310.438 2.985 0 40 DFAB Cc1nscc1C(=O)N1CCN(c2ccc(F)cc2)CC1 40757204 KZBNALMRHPYHQX-UHFFFAOYSA-N 305.378 2.553 0 40 DFAB Cc1ccc(-c2nonc2NC(=O)c2ccnc(N(C)C)c2)cc1 78877409 MQOFSVJKILTKGR-UHFFFAOYSA-N 323.356 2.758 0 40 DFAB Cc1c[nH]cc1C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 564829870 GZAZLBMNFYHOKU-UHFFFAOYSA-N 321.808 2.653 0 40 DFAB Cn1cc(CCC(=O)N(CC(F)F)c2ccc(F)cc2)cn1 193851276 ZNLRMPCRORQRRI-UHFFFAOYSA-N 311.307 2.790 0 40 DFAB CC1(c2nc(=NC(=O)[C@H]3CCOc4ccccc43)s[nH]2)CC1 529704213 KAZLANHGZSGOLE-NSHDSACASA-N 315.398 2.516 0 40 DFAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCC2 571326561 NAZBCIMKYMEMMA-SNVBAGLBSA-N 305.328 2.941 0 40 DFAB CC(C)N1C(=O)C(=O)N(Cc2csc3c(F)cccc23)C1=O 84839629 MTCINHPVAFUPEA-UHFFFAOYSA-N 320.345 2.740 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)nn1 225428326 FDKWWAHUVHDZPJ-AWEZNQCLSA-N 315.348 2.526 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 225421164 LYMXZUNKILKSIM-CQSZACIVSA-N 322.368 2.560 0 40 DFAB O=S(=O)(/N=C(\O)c1cc2ccccc2o1)c1cccnc1 42321727 IONPISNBVVCCPS-UHFFFAOYSA-N 302.311 2.521 0 40 DFAB Cc1ccccc1C[C@H](CNC(=O)c1cccs1)C(=O)O 195542143 KSKWJBVQHFVSEI-CYBMUJFWSA-N 303.383 2.730 0 40 DFAB c1cc(N2CCCC2)ncc1CN1CCOC2(CCCC2)C1 93588997 ZHYZVAODMCQXNW-UHFFFAOYSA-N 301.434 2.827 0 40 DFAB COc1cc(CN(C(=O)c2cncc(F)c2)C2CC2)ccc1O 97230124 BFROCQQLNIMIHE-UHFFFAOYSA-N 316.332 2.740 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CCC(=O)NC3)c2)c1 96403254 CSHFIADMJDMVTE-GOSISDBHSA-N 322.408 2.804 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)CC(=O)O2 95480276 DVQLCDIXOJKIDR-QMMMGPOBSA-N 307.708 2.917 0 40 DFAB c1cc(COCc2cncc3c2CCN(CC2CC2)C3)ccn1 96189435 CDJMICIFZSTINM-UHFFFAOYSA-N 309.413 2.962 0 40 DFAB O=S(=O)(C1CC1)N1CCC(CSCc2ccco2)CC1 85472512 VUMFARKIFASBSZ-UHFFFAOYSA-N 315.460 2.717 0 40 DFAB c1cc(-c2ccc(CN[C@@H]3CCO[C@@]4(CCSC4)C3)o2)[nH]n1 253433392 WJIKCTIQRGUGNT-WBMJQRKESA-N 319.430 2.814 0 40 DFAB COc1ccccc1[C@H]1CN(Cc2csc(C)n2)CCN1C 257225052 FEPCWHWCBIBDJS-MRXNPFEDSA-N 317.458 2.949 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)O 262562323 VUJUHYRRYIPHAL-CYBMUJFWSA-N 316.357 2.532 0 40 DFAB COc1cc(OC)cc(C(=O)c2c(OC)cccc2OC)c1 95916732 QXPVSQILDYUQOY-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB O=C1CC[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)O1 585286925 XULAFMRSQMXPNM-GOSISDBHSA-N 310.353 2.547 0 40 DFAB CN(C)c1cc(CNC(=O)N2CC[C@H](c3ccccc3)C2)ccn1 69975416 VSMGEICDJRYKSR-KRWDZBQOSA-N 324.428 2.847 0 40 DFAB O=C(CCc1nc2ccccc2s1)NC1(C(=O)O)CCCC1 72277038 KTUYVNFWLGGNFG-UHFFFAOYSA-N 318.398 2.743 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2nsnc2Cl)CC1 1889007680 VFVOZDPTNNBHLS-UHFFFAOYSA-N 318.830 2.685 0 40 DFAB CO[C@@H]1CN(C2CCOCC2)CC[C@@H]1Cc1ccccc1F 1615084281 KDSLYGWVQYNKNE-CRAIPNDOSA-N 307.409 2.884 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966322 YCOGPGOCSSFCLT-LLVKDONJSA-N 316.313 2.608 0 40 DFAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)OC)nc21 5490762 UGJJYPDVTPKJBL-VIFPVBQESA-N 316.386 2.653 0 40 DFAB O=C(O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(F)cc1 12158557 PJBXCHJYURCFBP-OLZOCXBDSA-N 319.357 2.828 0 40 DFAB O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccccc1 12292053 KEBAXYDEAUIXLY-SFHVURJKSA-N 315.388 2.843 0 40 DFAB O=C(Nc1nc2ccccc2s1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13154241 QABHXWMGVKPZJC-GAQJKIJGSA-N 316.382 2.982 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 19117818 FMNQISXVSBBADF-GFCCVEGCSA-N 315.348 2.650 0 40 DFAB Cc1nccn1CC1(O)CCN(C[C@H](C)c2ccccc2)CC1 19287925 XFZIGYCQSMOXDO-INIZCTEOSA-N 313.445 2.822 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703657 WLHAMYROZRWJTN-MRXNPFEDSA-N 317.364 2.854 0 40 DFAB COc1ccc([C@H]2CCCCN(C(=O)[C@H]3CCOC3)C2)cc1 208004721 XAMYNGBRIYFDDU-HOTGVXAUSA-N 303.402 2.828 0 40 DFAB COc1cc(C(=O)NCC(C)C)cc(OC)c1Br 8884222 SLSFAZBIWDDGRG-UHFFFAOYSA-N 316.195 2.852 0 40 DFAB COc1ccc(CC(=O)NCc2ccc(NC(C)=O)cc2)cc1 22511441 IBSYKVPZMNUYKR-UHFFFAOYSA-N 312.369 2.513 0 40 DFAB O=C(CCCSc1n[nH]c(=O)n1C1CC1)c1cccs1 8504102 JOMYGYAJTGWTMF-UHFFFAOYSA-N 309.416 2.723 0 40 DFAB CC(C)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037839768 CPMMTRXLWMWUGH-GOSISDBHSA-N 320.408 2.822 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1COC2(CCCC2)O1 10220470 APUFKZLSSCIGAM-AWEZNQCLSA-N 309.793 2.684 0 40 DFAB c1cnn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCCCC2)c1 2055729695 XBWVQRGGSATOEB-KSZLIROESA-N 303.450 2.943 0 40 DFAB COCCNC(=O)NCCc1ccc(-c2ccsc2)s1 575414046 MHTNOOZSKCMLIZ-UHFFFAOYSA-N 310.444 2.965 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@H](c1ccsc1)n1cccn1 575612947 DTKHFNTXGZUWNP-MBVDDHJVSA-N 313.382 2.957 0 40 DFAB O=C(NCc1cncc(C2CC2)c1)c1cc(-c2cccnc2)on1 575620371 MMAGUPFBFDTKQB-UHFFFAOYSA-N 320.352 2.939 0 40 DFAB CC(C)c1nnc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn12 2298067732 XOKVXSZWVKBORN-UHFFFAOYSA-N 306.728 2.796 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCc2ccccc21 40496243 XTKFBCLRNGDTRI-INIZCTEOSA-N 324.428 2.741 0 40 DFAB c1ccc([C@H](CCn2ccnc2)Nc2ncnc3[nH]cnc23)cc1 32577756 COCCQKRJEUDSPP-AWEZNQCLSA-N 319.372 2.793 0 40 DFAB O=C(CCN1CCSC1=O)NCCc1ccc(Cl)cc1 32784577 BMEGMGQTXZFSFP-UHFFFAOYSA-N 312.822 2.558 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2ccnc2)cc1 32912942 VCGWWEWKWOAXMH-UHFFFAOYSA-N 321.336 2.912 0 40 DFAB CN(C)c1ccc(CCCNC(=O)/C=C/c2cccnc2)cc1 33061985 DBBTWQPAQCWBCG-FMIVXFBMSA-N 309.413 2.910 0 40 DFAB C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1 33014534 ZDDAPVAXPISLEQ-CQSZACIVSA-N 323.462 2.635 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1nc(-c2ccccc2)oc1=O 52818449 BPZBUDLCWHJSKD-CYBMUJFWSA-N 317.389 2.588 0 40 DFAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 21937229 NIAZLLGHYCVXQZ-UHFFFAOYSA-N 305.280 2.666 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1c(Cl)nc2ccccn12 52963846 VLTNSJCTXBFGQC-UHFFFAOYSA-N 315.760 2.966 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)c(C)c1 522252 MRYFENFAZCGVSK-MRXNPFEDSA-N 310.353 2.831 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(c2ccc(F)cc2)CC1 71834949 GCNUUTWEKFXWQW-HZPDHXFCSA-N 314.360 2.871 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 71821190 ZOZGEQPJRRKPKW-DLBZAZTESA-N 313.401 2.596 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 22285046 BJHHVKKNFCGGDW-CYBMUJFWSA-N 320.414 2.521 0 40 DFAB CCc1cc(C(=O)O)c2c(-c3c(C)nn(C)c3C)noc2n1 12399139 ZOEPWZKODKFNAQ-UHFFFAOYSA-N 300.318 2.501 0 40 DFAB CCOCCCCNC(=O)Nc1ccc(N2CCCC2=O)cc1 47378933 PMUOJIILOZUAJG-UHFFFAOYSA-N 319.405 2.752 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NCc2ccon2)C12CCCCC2 79032994 ZCTKAOSXXUAXCF-KGLIPLIRSA-N 307.394 2.602 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCCSCC1 79423397 RVKFVVIYQCHSJV-UONOGXRCSA-N 300.468 2.730 0 40 DFAB O=C(c1noc2c1CCCC2)N1CCN(c2ccccc2)CC1 2465806 NPBQFIDNNHHIAD-UHFFFAOYSA-N 311.385 2.516 0 40 DFAB CCCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1 3356910 HOMHZRXKFFIZCA-GOEBONIOSA-N 305.374 2.860 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@@H]2O 4026295 YLTCTXBDDHSLCS-ZOVJDJALSA-N 304.430 2.852 0 40 DFAB endogenous,in-man CC(C)CO[C@@H](C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 42385860 JIOMXEYVROGIIW-HNNXBMFYSA-N 315.417 2.892 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1ccsc1 104662674 UWXVSTSVLBQFNT-MBNYWOFBSA-N 308.447 2.809 0 40 DFAB COc1ccccc1C(=O)NCc1noc(-c2ccc(C)cc2)n1 6234055 FXMSJFMQZZPZFQ-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)[C@@H]1CCCO1 71888366 RYJHYHIJXOCZTQ-INIZCTEOSA-N 310.353 2.801 0 40 DFAB CN(C)C(=O)CCNC(=O)C1c2ccccc2Oc2ccccc21 47514250 JKZDHDKSYHHYPD-UHFFFAOYSA-N 324.380 2.519 0 40 DFAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 8254536 LERYVKUZBIRWNG-QILLFSRXSA-N 315.461 2.603 0 40 DFAB biogenic,in-vitro Cc1oc(-c2cccs2)nc1CC(=O)N1CCO[C@@H](C)C1 24498237 ZMPSGCCKDSESHW-JTQLQIEISA-N 306.387 2.501 0 40 DFAB CCC(CC)N(CCOC)C(=O)c1cc2ccccc2c(=O)[nH]1 71821599 ISZLAHMQDCPSMI-UHFFFAOYSA-N 316.401 2.805 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)n1 25073322 GILXVHNOYFKITB-UHFFFAOYSA-N 320.352 2.607 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccnc1)C3 57111253 GLJBTWILMHTUTM-UHFFFAOYSA-N 308.337 2.849 0 40 DFAB NC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1F 44540955 OTWKKLOAMDPARQ-JTQLQIEISA-N 315.186 2.542 0 40 DFAB CNC(=O)c1ccc(CN(CCc2ccccn2)C2CC2)cc1 57995810 NBVYWTLTUXKNDS-UHFFFAOYSA-N 309.413 2.648 0 40 DFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2F)C[C@@H](C)O1 58216038 LMZXRVNJDLHLQK-KFWWJZLASA-N 320.408 2.540 0 40 DFAB COC(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)n1 44978084 NGFQOXXOSKDIJX-CQSZACIVSA-N 316.382 2.907 0 40 DFAB COCCOc1ccccc1NCC(=O)N[C@@H]1CCCC[C@@H]1C 58440631 NROCEDXBVOGMJU-LSDHHAIUSA-N 320.433 2.819 0 40 DFAB COc1ccccc1CN1CCC2(CC1)C[C@H](N(C)C)CCO2 108536707 ZPJDJOMUDDTDHO-QGZVFWFLSA-N 318.461 2.770 0 40 DFAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1OC(F)F 12764373 NDIQRJUXOVOELN-UHFFFAOYSA-N 309.272 2.647 0 40 DFAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 108981190 ZTSLDBLXFFIZMR-SOUVJXGZSA-N 300.402 2.794 0 40 DFAB COC(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C)cc1 27333879 DXKUAFNMRJWUSX-DOMZBBRYSA-N 304.390 2.851 0 40 DFAB Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1 29084933 MTRKGNOMDPGLRX-LJQANCHMSA-N 324.424 2.798 0 40 DFAB NC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 12851433 LUPRXVATYSPYSM-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 8944747 KGLUMEPCHAVYQF-GHMZBOCLSA-N 306.406 2.926 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1Br 3506837 RYZBLUJSOHQLQK-VIFPVBQESA-N 314.179 2.521 0 40 DFAB O=c1c2ccccc2ncn1Cc1noc(-c2ccc(F)cc2)n1 12952001 VXMUQMDKBBBFAF-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB O=C1COc2ccccc2N1Cc1nc(-c2ccccc2)no1 49002820 QRPJCVFZPDPJEN-UHFFFAOYSA-N 307.309 2.662 0 40 DFAB Cc1nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)cn2n1 20798593 VIBGHZIIOWSUJQ-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB O=C(CN1C(=O)CSC1=O)Nc1cccc(Cl)c1Cl 4498567 GOVPZPLUNQWMMD-UHFFFAOYSA-N 319.169 2.627 0 40 DFAB COc1ccc(CN2C=Nc3ccccc3S2(=O)=O)cc1F 65536676 QWBISNPMIDUXLL-UHFFFAOYSA-N 320.345 2.699 0 40 DFAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccccc1 14203614 YNLZOHFOEAWVND-AAEUAGOBSA-N 317.414 2.725 0 40 DFAB Nc1nc(SCC(=O)c2ccc(F)cc2)nc(C2CCC2)n1 6604066 DJCWPMXGMSMZSC-UHFFFAOYSA-N 318.377 2.835 0 40 DFAB CC[C@H](NC[C@H]1CCCS1(=O)=O)c1cc(C)ccc1OC 90467198 POBNOSXWKDHUQM-HIFRSBDPSA-N 311.447 2.622 0 40 DFAB COc1ccc(C)cc1Cn1c(NCCO)nc2ccccc21 7675832 MVDIMSDJIHRJNC-UHFFFAOYSA-N 311.385 2.806 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCCc1cc(Br)ccc1F 68514326 UFGGSXSLUTZHRJ-KWQFWETISA-N 300.171 2.903 0 40 DFAB COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(C(N)=O)c1 68808461 YZNJNQJWMFZVJN-MRXNPFEDSA-N 324.380 2.771 0 40 DFAB CCOc1ncccc1NC(=O)c1cccc(NC(=O)OC)c1 69367406 LNOTYNOFPDAZJA-UHFFFAOYSA-N 315.329 2.911 0 40 DFAB CCC1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)CC1 408707251 LUNZPEHLEVQKNT-HPUBIQBYSA-N 316.445 2.991 0 40 DFAB O=C(COCC1CC1)Nc1nc(CN2CCCCCC2)cs1 60614192 BSFKDOFFEZEBMC-UHFFFAOYSA-N 323.462 2.884 0 40 DFAB CC(=O)NCCC(=O)NCc1ccc(OC2CCCCC2)cc1 69518770 RKRFYWFEBSJFHV-UHFFFAOYSA-N 318.417 2.541 0 40 DFAB C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1 69778824 MLLQHKXCKVODJJ-FZMZJTMJSA-N 302.340 2.687 0 40 DFAB Cc1nc2n(n1)C[C@H](Nc1ccnc3c(F)ccc(F)c13)CC2 69703039 BUQBMLGVHGNIBR-SNVBAGLBSA-N 315.327 2.840 0 40 DFAB CCOCc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)c1 96481190 MJUYZNUSZFEMHC-BZSNNMDCSA-N 316.445 2.760 0 40 DFAB CN(C(=O)[C@@H]1CCCO1)[C@H](c1cccc(F)c1)c1ccccn1 69810779 RQULFMBGENKDRN-DLBZAZTESA-N 314.360 2.948 0 40 DFAB O=C(CCCc1ccccc1)NCCCc1nnc2ccccn12 72406507 GPWJBUXCDZVOEU-UHFFFAOYSA-N 322.412 2.801 0 40 DFAB Nc1cccc(C(=O)Nc2cc(Br)ccc2O)c1 94573506 IJGAHAYHRJRDMK-UHFFFAOYSA-N 307.147 2.989 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)n[nH]1 84110558 XHRHCGBGRISGKY-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)s2)o1 97081261 HENFUQWZRPIVEX-CYBMUJFWSA-N 306.387 2.556 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCc2ncoc2C)o1 97161853 JUYKSDQOHJIGDU-CQSZACIVSA-N 319.361 2.769 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H]2CCCC[C@H]2C1 95369259 MBRCRJPXTNTZQD-GJZGRUSLSA-N 301.386 2.997 0 40 DFAB CCO[C@@H]1C[C@H](OC(=O)CCCC(=O)NC(C)C)C12CCC2 84800810 LDUUSWKBRZISOH-KGLIPLIRSA-N 311.422 2.572 0 40 DFAB C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1cccnc1 95965574 MRALFROTELJSBO-ZDUSSCGKSA-N 317.414 2.505 0 40 DFAB O=C(Nc1sccc1C(=O)NC1CC1)c1ccncc1Cl 75083530 AYFYXOPOSUTSFR-UHFFFAOYSA-N 321.789 2.941 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@H](C)Oc3ncccc32)c(C)c1 89614309 CARPNEDCFCNBTL-ZDUSSCGKSA-N 318.398 2.675 0 40 DFAB COc1cc(N[C@H]2CCN(C(C)C)C2=O)c(OC)cc1Cl 89870020 XMKMQSZISKBJCV-NSHDSACASA-N 312.797 2.778 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)COc1ccc(C)cc1 20143779 NVKGHHPAGPLQAU-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CCCS(=O)(=O)[C@@H](C)C(=O)N(c1ccccc1C)C(C)C 79040629 UKLLSJQRSWSQBC-AWEZNQCLSA-N 311.447 2.950 0 40 DFAB CCOCC(=O)NCc1ccc(C(=O)c2ccccc2)s1 211085606 NRQOMTDGMPUMIE-UHFFFAOYSA-N 303.383 2.632 0 40 DFAB CN(CC1CC1)C(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21 72251262 QJFGGEIQMTUVKW-UHFFFAOYSA-N 320.820 2.833 0 40 DFAB CCOC(=O)C1=Cc2ccccc2O[C@]1(OC)C(F)(F)F 217808642 MMUCCQHDOMONJI-ZDUSSCGKSA-N 302.248 2.931 0 40 DFAB CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 514290142 SPIGTLINBHIZRQ-YQQAZPJKSA-N 322.474 2.551 0 40 DFAB biogenic,in-vitro Cc1cccc([C@@H](C)NC(=O)c2conc2C(C)(C)N)c1C 576887333 SWPFBAXCSWXPOT-GFCCVEGCSA-N 301.390 2.976 0 40 DFAB CO[C@@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)c1 96403469 SYVUDJAFIXSGNT-UONOGXRCSA-N 316.401 2.805 0 40 DFAB COc1ccccc1CC1(N)CCN(C(=O)OC(C)(C)C)CC1 98213789 YIAAMVNKKYFNIB-UHFFFAOYSA-N 320.433 2.966 0 40 DFAB Cc1noc(COC(=O)c2ccc(-c3cscn3)cc2)n1 96461574 GMJSMWWMCCUQBC-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB CN(Cc1cnccn1)C(=O)Nc1ccc2c(c1)CCCN2C 96410618 MXHOUVXQMDUNIB-UHFFFAOYSA-N 311.389 2.523 0 40 DFAB O=C1NC2(CCCC2)N[C@H]1c1cc(Br)ccc1F 90661439 YXSRXAOSUHTZFT-NSHDSACASA-N 313.170 2.619 0 40 DFAB CCc1nnc(CNC(=O)[C@H]2CCc3ccccc3C2)s1 582423852 NDNSCECDAODDNN-ZDUSSCGKSA-N 301.415 2.522 0 40 DFAB c1cc(NC[C@@H]2CCC[C@@H]3CN(Cc4c[nH]cn4)C[C@@H]32)ccn1 96081940 ABARKGWVVMXLEA-HDMKZQKVSA-N 311.433 2.765 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(F)cc1 96518640 FNROJIAHQLWOLS-NSHDSACASA-N 323.183 2.554 0 40 DFAB Cc1ccc(O)c(CNc2cccc(OCCn3cccn3)c2)n1 96482745 HYCUCELWXMSNAO-UHFFFAOYSA-N 324.384 2.983 0 40 DFAB CSCC[C@@H]1NC(=O)N(CCCc2ccccc2C)C1=O 96460799 CYNUBJZHETXBHR-AWEZNQCLSA-N 306.431 2.601 0 40 DFAB Cc1ccc(OC2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1C 96481179 HHQNDTJFLJONRZ-KRWDZBQOSA-N 304.434 2.657 0 40 DFAB CCc1cnc([C@@H](C)NC(=O)[C@H](O)c2cccc(OC)c2)s1 96487112 WJXRPPFIGASBOG-QMTHXVAHSA-N 320.414 2.625 0 40 DFAB O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2CN1c1ccccc1 96053589 LSJMUAGSARVWMQ-QAPCUYQASA-N 310.372 2.921 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)s1 96064050 FNEDISCRORTPOD-CABCVRRESA-N 300.431 2.700 0 40 DFAB O=C(CCc1ccc(F)c(Cl)c1)N1CCc2ncncc2C1 96122777 IHLFPZOVMJQNHL-UHFFFAOYSA-N 319.767 2.787 0 40 DFAB COC(=O)c1ccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1 96434006 DUEKXNUHHWAIAI-OKILXGFUSA-N 300.358 2.903 0 40 DFAB CNc1cc(C)nc([C@@H]2COCCN2Cc2ccc(C)s2)n1 257340776 ZHNDZIUDMLHOGM-AWEZNQCLSA-N 318.446 2.770 0 40 DFAB Cc1ncc(-c2cnc(C[C@H]3CCCN(C(C)C)C3)cn2)n1C 257219263 DGFAHXIHNXCEAG-OAHLLOKOSA-N 313.449 2.848 0 40 DFAB O=C(CC1CCNCC1)Nc1cc(-c2ccccc2F)n[nH]1 257314964 UZHTZYMBEVGOAA-UHFFFAOYSA-N 302.353 2.544 0 40 DFAB C[C@@H](NC(=O)c1ccc(O[C@H]2CCOC2)nc1)c1ccccc1 252522926 BKLVTLNTUQBNKM-CJNGLKHVSA-N 312.369 2.740 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257265860 MAQXFYPFOFRQKG-CQSZACIVSA-N 309.373 2.582 0 40 DFAB O=C(CCc1ccccc1)NCCn1ccc(-c2ccccn2)n1 96098856 XNMSPIPHGLXKSR-UHFFFAOYSA-N 320.396 2.694 0 40 DFAB CCc1ccccc1NC(=O)Nc1cnc(OC)nc1OC 96121361 BJYMVSODEKVUFH-UHFFFAOYSA-N 302.334 2.700 0 40 DFAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1cc(-c2ccccc2)on1 96123121 SEBLEZKRPLQVER-AWEZNQCLSA-N 324.340 2.752 0 40 DFAB O=C(NCc1cccs1)c1ccc(OC[C@@H]2CCCO2)nc1 390825784 BIOBRWNLIYQJCA-ZDUSSCGKSA-N 318.398 2.631 0 40 DFAB CCC(CC)N1CCOC[C@@](O)(COc2ccccc2C)C1 585277437 WOVDGBSCYCBHRX-GOSISDBHSA-N 307.434 2.626 0 40 DFAB COCCOc1ccc(NC(=O)CN2CCC(C)CC2)c(C)c1 84093091 BDWKFCMLALERHC-UHFFFAOYSA-N 320.433 2.691 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 9140354 GREOAKFFXBYVNF-UHFFFAOYSA-N 300.767 2.507 0 40 DFAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCCC1 12444003 HDLIJYJCCPAKLA-UHFFFAOYSA-N 303.337 2.692 0 40 DFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2c1CCCC2 16130729 WDWPDDGOGCLHHY-UHFFFAOYSA-N 305.403 2.706 0 40 DFAB CCCCN1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1 19332600 DJFLKYKOSRPQBO-UHFFFAOYSA-N 312.421 2.635 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 245093431 RNFJCXABUVJJOS-LLVKDONJSA-N 315.339 2.841 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1Br 3266288 XJTGMOKZCMIZSL-DTWKUNHWSA-N 312.163 2.587 0 40 DFAB CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251793 NOSOLAHGRFKKLD-LBPRGKRZSA-N 318.446 2.517 0 40 DFAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)cc1 5854838 QPVKEBWNDQCIAL-UHFFFAOYSA-N 317.366 2.893 0 40 DFAB CCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1OC 7347546 QCMAIDCYKGILNF-UHFFFAOYSA-N 307.375 2.760 0 40 DFAB CN1C(=O)CC[C@]12CCCN(c1ncc3sccc3n1)CC2 1614946552 KKYBIXJVZUTPEH-INIZCTEOSA-N 316.430 2.673 0 40 DFAB CC1CCC(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)CC1 1565544848 SNHTTXKPSVVYKP-UHFFFAOYSA-N 318.461 2.720 0 40 DFAB CCc1[nH]nc(-c2nn3c(-c4ccco4)nnc3s2)c1C 12323781 PFGUQNAOGOMZIJ-UHFFFAOYSA-N 300.347 2.707 0 40 DFAB O=C(Cc1ccc(F)cc1F)NC[C@H]1COc2ccccc21 342658444 UTKBPLCTYVLPTP-LBPRGKRZSA-N 303.308 2.800 0 40 DFAB O=C(CSc1nnc2ccccn12)Nc1ccc(F)cc1 55976 WAHHFDJLXVHQKC-UHFFFAOYSA-N 302.334 2.599 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)c[nH]1 40488924 SPOPGADKMNULPH-SECBINFHSA-N 316.386 2.532 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O 101176550 YNYLOLAZTMKTDV-CYBMUJFWSA-N 316.332 2.548 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)/C=C/c2csc(C)n2)c1 32360237 AVUXTEPRENNPFT-VOTSOKGWSA-N 315.398 2.740 0 40 DFAB CC(=O)Oc1ccc2c(C)c(C[C@@H](C)OC(C)=O)c(=O)oc2c1 383187 QHJKUAXAQRPYPM-SECBINFHSA-N 318.325 2.521 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc2c(c1)OCCO2 32862794 UGEUBJFXMANWBW-ZFWWWQNUSA-N 318.417 2.878 0 40 DFAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 32999463 WKTSFGDGVYCPHJ-GFCCVEGCSA-N 317.216 2.884 0 40 DFAB CC(C)[C@@H](C)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21872416 QPOUGTMKGHLEFV-CQSZACIVSA-N 315.417 2.564 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CCOC1 41373180 ITLDVUUNLMAKMG-GFCCVEGCSA-N 302.399 2.885 0 40 DFAB COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCC2 91626 UJGDDDPTRUGVSD-SNVBAGLBSA-N 309.387 2.531 0 40 DFAB COCc1cc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)no1 84456637 TYVBNVPKQURAHF-OAHLLOKOSA-N 315.373 2.918 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 76996630 FGYRWSIVXZXOSE-KGLIPLIRSA-N 322.474 2.634 0 40 DFAB CCc1cc(C(=O)O)c2c(C)nn(-c3ccc(OC)cc3)c2n1 12399118 JIPLLAGBJSYGMD-UHFFFAOYSA-N 311.341 2.998 0 40 DFAB COc1ccccc1CC(C)(C)C(=O)N1C[C@@H](N(C)C)[C@H](C)C1 78894590 DNPQCCDNFIFDIK-GDBMZVCRSA-N 318.461 2.672 0 40 DFAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC=CCC1 78948922 BCQLIUMFURRZGB-IRXDYDNUSA-N 313.397 2.935 0 40 DFAB Cc1ccc2c(c1)SN(CN1C(=O)c3ccccc3C1=O)N2 1644663 GEYHFJAAQFNDGR-UHFFFAOYSA-N 311.366 2.898 0 40 DFAB Cc1cc(C)nc(SCC(=O)Nc2ccc(N(C)C)cc2)n1 798736 NCTZGKABJVDHAP-UHFFFAOYSA-N 316.430 2.890 0 40 DFAB Cc1nn([C@@H](C)C(=O)N2CCCCCC2)cc1Br 6527455 UHVPLKYGCHHOFZ-NSHDSACASA-N 314.227 2.918 0 40 DFAB CCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 6596763 OGGPNFCMVBINMF-UHFFFAOYSA-N 313.195 2.694 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@H](C)C(=O)N2 6678607 SEZLJEZPIYFMBK-AMIZOPFISA-N 317.370 2.610 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2ccc(-n3cnnn3)c(C)c2)c1 55899205 ANOAMTFAQMWSLF-UHFFFAOYSA-N 321.384 2.864 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)CNC(=O)Cc1ccccc1 12615606 MBTFEFRLWPIHKE-OAHLLOKOSA-N 310.397 2.531 0 40 DFAB CC[C@H](C)[C@H](NC(=O)C[C@H](C)c1ccccc1OC)C(=O)O 108117493 UHOARNDMTODHPN-MKBNYLNASA-N 307.390 2.804 0 40 DFAB CCc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1 44889491 MVLKYIVATVOURC-UHFFFAOYSA-N 309.413 2.602 0 40 DFAB C[C@@H](C(=O)N1CC2(CCCC2)c2c(F)cccc21)n1cncn1 58244920 XUHLASYWWUKRQE-LBPRGKRZSA-N 314.364 2.837 0 40 DFAB CC1CCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)CC1 58391585 VRHMYKINEIEQFS-UHFFFAOYSA-N 320.481 2.880 0 40 DFAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)[C@H]3C 104254805 KSWTVOIQZBRWIZ-KHIGERABSA-N 315.413 2.514 0 40 DFAB O=C(NCc1cccs1)C1CCN(C(=O)c2ccoc2)CC1 28276347 AWLMOTNJGKZHNQ-UHFFFAOYSA-N 318.398 2.510 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)Nc3cc(C)n[nH]3)o2)cc1 36390687 SPNMWBWUISMLED-UHFFFAOYSA-N 311.345 2.648 0 40 DFAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CNCc3ccco3)[C@@H]1C2 103002929 SUJUFHXCSRMIJJ-INMHGKMJSA-N 305.418 2.739 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)s1 3384396 STXXXGRPPCNZLH-UHFFFAOYSA-N 307.346 2.669 0 40 DFAB CCONC(=O)[C@@H](C)Sc1ccc(Br)cc1 48345746 ROEPDQUZQLTELK-MRVPVSSYSA-N 304.209 2.997 0 40 DFAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)COCc1ccco1 45821554 UTJZTVAKNVNPFG-CQSZACIVSA-N 323.348 2.971 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 60164919 LVROUGRBIIPIEX-QWHCGFSZSA-N 315.417 2.520 0 40 DFAB C[C@H](CNC(=O)c1cccnc1S)N1CCc2ccccc21 29916112 UKSRAVAEFGXAPT-GFCCVEGCSA-N 313.426 2.551 0 40 DFAB OCCOCCN1CCCCc2cc(Br)ccc21 92844081 VNEQTOJSVMPQPC-UHFFFAOYSA-N 314.223 2.601 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NC1CC1 9050331 LZEZCLNLSCNSHT-UHFFFAOYSA-N 313.357 2.690 0 40 DFAB COC(=O)[C@H](NC(=O)N[C@H](C)CCc1ccccc1)C(C)C 6049946 KRWUPCIQJYNXJB-UKRRQHHQSA-N 306.406 2.505 0 40 DFAB COCC[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)nc1 65595435 DQPTTYVPXOBGQB-SECBINFHSA-N 321.299 2.569 0 40 DFAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H](n2cccn2)C1 65625358 ABUJDCIALPGOFS-INIZCTEOSA-N 321.384 2.546 0 40 DFAB COc1ccc(-c2nonc2NC(=O)/C=C/c2ccco2)cc1 5482943 SWBKTOSADXVQQV-CMDGGOBGSA-N 311.297 2.990 0 40 DFAB Cc1c(C(=O)N2CCc3cnccc32)c(=O)oc2ccccc12 96008873 VCZZDGLHHNFQHE-UHFFFAOYSA-N 306.321 2.699 0 40 DFAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)NC1CCCCC1 6760146 FGMFCJSXUJSNOC-UHFFFAOYSA-N 308.765 2.697 0 40 DFAB COc1nc(C)cc(C)c1CNC(=O)c1sc(C)nc1C 66780614 WMFMOQMXRDMMLC-UHFFFAOYSA-N 305.403 2.710 0 40 DFAB O=C(Nc1cccc(C(=O)O)c1)Nc1ccc2c(c1)OCO2 15934321 WDEJADCXZOWZAP-UHFFFAOYSA-N 300.270 2.758 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)C[C@H]1O 96497149 ADFLWNGLBWKHMK-DGCLKSJQSA-N 308.447 2.815 0 40 DFAB O=S(=O)(NC1CCCC1)c1ccc(Br)cc1F 68741073 MVGSARYTNNCHLY-UHFFFAOYSA-N 322.199 2.809 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)s1 8168420 KSTFBEOOSCJJMW-UHFFFAOYSA-N 320.823 2.827 0 40 DFAB O=C(NC[C@H](C(=O)O)c1ccccc1)c1cccc2[nH]ccc12 95408282 ZSGNPBNMHRWUEZ-HNNXBMFYSA-N 308.337 2.766 0 40 DFAB COC(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 69329537 LQSFNUCTJPHVQG-CYBMUJFWSA-N 313.357 2.652 0 40 DFAB COc1ccc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 69351924 OLBHUPVRLLIHNA-GFCCVEGCSA-N 312.369 2.877 0 40 DFAB CN(Cc1nc2ccccc2n1C)C(=O)CCc1cscn1 71896770 BHMUJEAOXRLIAH-UHFFFAOYSA-N 314.414 2.621 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 69417076 AWZHSOPGQICKOF-LBPRGKRZSA-N 324.371 2.733 0 40 DFAB O=C(COc1cc(F)ccc1F)N(CC(F)(F)F)C1CC1 71879430 DTTRURPKQLFKKU-UHFFFAOYSA-N 309.234 2.897 0 40 DFAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)n1cncn1 69571547 QOQLTIYEKKPEJH-ZIAGYGMSSA-N 324.384 2.576 0 40 DFAB CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 17269056 OYXKCVCFTWDNHJ-ZDUSSCGKSA-N 311.389 2.615 0 40 DFAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C)c2ccccc12 69659068 OONDGLMMVKGECZ-ZWKOTPCHSA-N 311.429 2.877 0 40 DFAB CCNC(=O)CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 97032963 QDKVUETXCBJNLU-AWEZNQCLSA-N 314.433 2.577 0 40 DFAB C[C@@H](Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C1(C)CC1 97037535 WJYVOJURANTVFR-OAHLLOKOSA-N 315.461 2.604 0 40 DFAB Cc1cccc(OCc2csc(CS(C)(=O)=O)n2)c1F 97053684 KMFNYBHLUVNVON-UHFFFAOYSA-N 315.391 2.714 0 40 DFAB O=C(NCc1ccco1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 97142087 CPBSJTJPYLPYCQ-GDBMZVCRSA-N 300.358 2.999 0 40 DFAB COc1cc(C(=O)NC[C@@H]2CCCO2)nc2c(C)cc(F)cc12 72329545 HPYBRRJICPBMNA-LBPRGKRZSA-N 318.348 2.600 0 40 DFAB CN1CCC[C@H]1c1nc(C(=O)NC2CCCC2)c2ccccn12 306129975 ITAGXQJGXBIPQU-HNNXBMFYSA-N 312.417 2.773 0 40 DFAB C[C@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@H]1O 75093532 YFGDYUIHVLSYDL-RHSMWYFYSA-N 311.372 2.955 0 40 DFAB C[C@@H]1CN(C(=O)Cc2ccccc2O)[C@@H](c2ccccc2)CO1 86337358 UZUHQSZGRVWDCE-RHSMWYFYSA-N 311.381 2.923 0 40 DFAB Cc1ccc([C@H]2CSCCN2C(=O)CCc2cnn(C)c2)o1 76067526 ZKGNGOGAELNYAZ-CQSZACIVSA-N 319.430 2.571 0 40 DFAB Cc1ccoc1C(=O)NCCc1csc(N2CCCC2)n1 114852886 ATGWBQRKUHMHSR-UHFFFAOYSA-N 305.403 2.617 0 40 DFAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1576314 CTXPLTPDOISPTE-DGCLKSJQSA-N 309.362 2.570 0 40 DFAB biogenic CN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1 35313737 HKFRGAXCRSNRNY-UHFFFAOYSA-N 316.411 2.867 0 40 DFAB C[C@H]1Cc2ccc3c(c2[C@H](O)C1)C(=O)c1cccc(O)c1[C@@H]3O 31158803 FDVOVSCQDWKKHH-NIRWDTKCSA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccncc1 25055147 FFBJIVHEUYQSHM-MRVPVSSYSA-N 308.267 2.711 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@H](C)Cc2cccs2)cc1 38935427 FSHINNITPGJWQO-LLVKDONJSA-N 303.383 2.896 0 40 DFAB O=Cc1cc(Br)ccc1OCC(=O)c1ccc[nH]1 7779978 VVVOOQWWBIHUFR-UHFFFAOYSA-N 308.131 2.851 0 40 DFAB Cc1noc(C)c1CC(=O)NCCc1nc(C(C)(C)C)cs1 79486700 YLECHMOSZPLCCB-UHFFFAOYSA-N 321.446 2.947 0 40 DFAB c1cncc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)c1 72389979 RLJNBYGCQKEIEK-MRXNPFEDSA-N 321.384 2.906 0 40 DFAB COCC[C@H](C)Nc1ccc(C(=O)Nc2ccccc2)nn1 77958943 NCRGMUPCCODXBT-LBPRGKRZSA-N 300.362 2.566 0 40 DFAB CCn1cc(NC(=O)NC[C@H](C)Oc2ccccc2F)cn1 80616445 UXCOKIMNZGJDCX-NSHDSACASA-N 306.341 2.631 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccnc3ccncc23)c1 570854296 FOLLKDINBJOWFJ-UHFFFAOYSA-N 307.353 2.911 0 40 DFAB COc1ccc2c(n1)N(C(=O)c1scnc1C(C)C)CC2 575603507 OHAFCPWNZHOLLF-UHFFFAOYSA-N 303.387 2.873 0 40 DFAB O=C1NCCN(C(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 131913687 LWDGJIIGEWDPKQ-HNNXBMFYSA-N 313.332 2.531 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(F)c(F)c(F)c1)c1cccs1 80879828 QZQBCYVTJHFTJI-CQSZACIVSA-N 315.316 2.803 0 40 DFAB CCOC(=O)N1CCc2cc(NCc3nccn3C)ccc21 80195241 XHTGVSMVANQGBI-UHFFFAOYSA-N 300.362 2.551 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1cncnc1 225589385 ZQJSMDVQSKAZKY-UHFFFAOYSA-N 319.792 2.646 0 40 DFAB CCc1ccccc1Nc1ccc(C(=O)NCCOC)cc1N 225420190 DMCYZLJUDQQKIE-UHFFFAOYSA-N 313.401 2.951 0 40 DFAB CC(C)N(C)c1ccccc1CNC(=O)NCc1cccnc1 195572197 MVTIHPKAJQLNMJ-UHFFFAOYSA-N 312.417 2.926 0 40 DFAB CS[C@@H]1CC[C@@H](N[C@@H](C)Cn2cc(Br)cn2)C1 195541105 IXENSIIMONDZFF-MVWJERBFSA-N 318.284 2.908 0 40 DFAB O=C(c1ccsc1)N1CCC2(CC1)C(=O)Nc1ccccc12 96161088 WMANAKKKUYWLQY-UHFFFAOYSA-N 312.394 2.874 0 40 DFAB C[C@H](Cc1cccs1)C(=O)NCc1cccc(C(=O)O)c1 97228680 JCSKFBGJAYFXKH-LLVKDONJSA-N 303.383 2.941 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)/C=C/c1ccncc1 96431686 MWQBGPYRPHMYQY-NPQIQWPPSA-N 312.369 2.687 0 40 DFAB C[C@@H]1CC(C)(C)[C@H](CNC(=O)C2(C)CC2)[C@@H]1NC(=O)C1(C)CC1 96472844 HZUWVFRSYHUMEA-MGPQQGTHSA-N 320.477 2.870 0 40 DFAB Cc1c(N)cc(Br)cc1I 95845572 WDTFIPGNGFZEFI-UHFFFAOYSA-N 311.948 2.944 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cc(F)cc(N2CCCC2)c1 96434436 MXKCTYLNPPSGHQ-LRDDRELGSA-N 321.396 2.708 0 40 DFAB CCc1nnc(S[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1C 96422223 FFYVFSPOOSYQPV-CYBMUJFWSA-N 316.430 2.584 0 40 DFAB Cc1cccc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n1 96408970 QFEFLVFCGKTPKT-KRWDZBQOSA-N 314.385 2.641 0 40 DFAB CNC(=O)c1cccc(CSCCC(=O)N2CCCCC2)c1 96500737 NRWGVRCUSJLMBY-UHFFFAOYSA-N 320.458 2.682 0 40 DFAB Cc1cccc([C@H](C)NC(=O)N2CCOC[C@H]2C[C@@H](C)O)c1C 97095134 CMZDBZZIZUCRKP-VNQPRFMTSA-N 320.433 2.546 0 40 DFAB Cc1cc(COC(=O)c2ccccn2)nc(N2CCCCC2)n1 95449777 FQEQVQNXWSLKJH-UHFFFAOYSA-N 312.373 2.527 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H](O)C1 97371566 CLGDEQMMNBTWKJ-MRVPVSSYSA-N 306.696 2.540 0 40 DFAB Cc1cccc(N2C[C@]3(CCN(C(=O)CC4CC4)C3)CC2=O)c1 96238556 JINIPXYEAQZATL-LJQANCHMSA-N 312.413 2.751 0 40 DFAB CN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CC2)CC1 257214542 CMJSWHREEIUCDZ-UHFFFAOYSA-N 304.409 2.606 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)c1c(C)nc2ccccc2c1C 252483141 DVYSERKVEYGQML-IAQYHMDHSA-N 318.442 2.694 0 40 DFAB CCc1nccn1-c1ccc(C(=O)Nc2nc(C)cs2)cn1 257268631 MMNATPAERVHWLZ-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257223086 DVUUETCWQDWRNX-ZDUSSCGKSA-N 309.373 2.533 0 40 DFAB Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCNC3)ccc12 257206981 BFSBOEZBXOERGT-CYBMUJFWSA-N 305.385 2.741 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cnc(C)s3)C2)n1 69454321 CCMWPNCWALPFBZ-CYBMUJFWSA-N 304.419 2.742 0 40 DFAB CCC(=O)N1CCC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 257279924 OITHPUNCQLGOCO-CYBMUJFWSA-N 300.406 2.516 0 40 DFAB c1cncc(CO[C@@H]2CSC3(C2)CN(Cc2ccoc2)C3)c1 585104973 MXDZTBFNTXURKM-INIZCTEOSA-N 316.426 2.951 0 40 DFAB c1cncc(CN2CCC[C@H]2c2nccnc2-c2ncc[nH]2)c1 585178861 TWJIEAACYPPENP-AWEZNQCLSA-N 306.373 2.599 0 40 DFAB CCN(CC)CC(=O)Nc1cccc(Oc2cnccn2)c1 65610024 KTOPRWCOZZBZPP-UHFFFAOYSA-N 300.362 2.549 0 40 DFAB Cc1cc(C)n2cc(CN3CCCC[C@@H]3Cn3cccn3)nc2n1 69709314 FPBWYLUBVKEAAL-QGZVFWFLSA-N 324.432 2.597 0 40 DFAB CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@H]3CC=CC[C@@H]3C2)C1 73990576 DPWIAFPELHAMKP-HUUCEWRRSA-N 320.433 2.668 0 40 DFAB CCc1nc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cs1 89289950 RSEBLVIIYJUKLQ-WFASDCNBSA-N 321.490 2.832 0 40 DFAB Cc1nn(C)c(C)c1OCC(=O)N(Cc1ccsc1)C1CC1 95411122 LFNHOXHNXUOZSN-UHFFFAOYSA-N 319.430 2.668 0 40 DFAB COc1ccccc1C[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1772714818 YNAYJKVEUJOAOP-GFCCVEGCSA-N 309.362 2.606 0 40 DFAB O=c1[nH]cnc2ccc(NC(=S)NC3CCCCC3)cc12 5491300 OVVSLORATWMTIZ-UHFFFAOYSA-N 302.403 2.542 0 40 DFAB O=C(CCSCc1ccccc1)NCCN1CCCCC1 13688192 WRIOMLANZMJMNI-UHFFFAOYSA-N 306.475 2.912 0 40 DFAB S=C(Nc1ccccc1)N1CCN(Cc2ccccn2)CC1 16704495 IIGHNCMKCVKNMC-UHFFFAOYSA-N 312.442 2.596 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)c12 169680651 WTPPIYXLOBATQA-NUEKZKHPSA-N 310.397 2.978 0 40 DFAB c1ccc(OCCN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)cc1 1888857158 XEINARNYFOUBIP-SJLPKXTDSA-N 309.413 2.671 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1cc(C2CC2)ncn1 1888890620 NKEITRMIFWMZSZ-UHFFFAOYSA-N 306.369 2.808 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2ncc(C)[nH]2)C1 1848355465 UPBONYRDFJIXPA-CYBMUJFWSA-N 314.389 2.532 0 40 DFAB Cc1cc(C(=O)NCc2cc(-c3ccncc3)nn2C)c(C)o1 1775965943 MHRHVXIYVWLIMP-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccncc1 10456638 ALZAGBFCHAZUHZ-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB O=S(=O)(CCN1CCc2sccc2C1)c1ccccc1 40485191 PSVJXXGDAKKUIK-UHFFFAOYSA-N 307.440 2.580 0 40 DFAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@H](C(F)(F)F)C1 40508606 IXYCQWFOJBMQDG-NSHDSACASA-N 324.306 2.682 0 40 DFAB CSc1nnc(SCc2csc(NC(C)=O)n2)s1 32944944 WNVMFPZEWALACX-UHFFFAOYSA-N 318.474 2.967 0 40 DFAB CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 549720 SIKDQMNOJPZVJV-CYBMUJFWSA-N 324.402 2.998 0 40 DFAB CCc1cccc(CC)c1NC(=O)CSc1nncn1C 413188 VBCWZXARQJGKRE-UHFFFAOYSA-N 304.419 2.671 0 40 DFAB COc1ccc(C2=N/C(=C/c3ccc(C)o3)C(=O)O2)cc1OC 198283 HAXJJRBUEIRTEC-UKTHLTGXSA-N 313.309 2.950 0 40 DFAB CCOC(=O)c1nccnc1C(=O)Nc1ccccc1Cl 1430084 LXEVCVDKKBYAMU-UHFFFAOYSA-N 305.721 2.559 0 40 DFAB CCC(=O)Nc1ccc(C(=O)Cn2c(=O)oc3ccccc32)cc1 3346195 QAVXVCLVCTWSNW-UHFFFAOYSA-N 324.336 2.826 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)Nc1ccccc1OC 3423680 YHZWGTQEMNATLU-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB Cn1nnc2ccc([C@H](c3ccc(Cl)cc3)n3cncn3)cc21 3791538 XLMPPFTZALNBFS-INIZCTEOSA-N 324.775 2.851 0 40 DFAB in-man Cc1ccc(N2C[C@H](C(=O)NC(C)(C)C)CC2=O)cc1Cl 4975616 PJYVBYHYLZKKID-LLVKDONJSA-N 308.809 2.916 0 40 DFAB O=C(COC(=O)CC1CCCC1)Nc1ccc2c(c1)OCCO2 5528515 RCSNDBQYSZDZRX-UHFFFAOYSA-N 319.357 2.520 0 40 DFAB Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1 6292060 GKTVBNCCDDFMNP-UHFFFAOYSA-N 302.359 2.899 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(F)cc1Cl 6581575 NAHFSTCTPCLKTH-UHFFFAOYSA-N 304.730 2.885 0 40 DFAB COc1ccccc1CC(=O)OCC(=O)Nc1ccc(F)cc1 7035209 UVBHRLPFQGOARL-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB O[C@H]1CCCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C1 7368178 AULPYPPJXHALKO-JTQLQIEISA-N 320.336 2.739 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 7507797 CJKUYKUCVZRVOZ-UHFFFAOYSA-N 305.374 2.691 0 40 DFAB CN(CC(=O)NC(=O)Nc1ccccc1F)Cc1cccs1 7846287 GDJNOBXFVPNUGW-UHFFFAOYSA-N 321.377 2.667 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)no1 7928363 DITBBTQOROQHTB-CYBMUJFWSA-N 313.357 2.591 0 40 DFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccccc1F 8129776 LRCHZBBWRQRVND-UHFFFAOYSA-N 318.348 2.653 0 40 DFAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CC(C)C 8186888 WHJMZLJEELNHAP-LLVKDONJSA-N 320.414 2.706 0 40 DFAB O=C(Cc1ccsc1)Nc1ccccc1C(=O)NC1CC1 8707476 JCLXQTGEXUQHIM-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB O=C(Nc1onc2c1CCCC2)c1cc2ccccc2oc1=O 8976575 WURJRQWVKSOUCF-UHFFFAOYSA-N 310.309 2.912 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncccn2)cc1 10860942 MNPFBZIAXLABEB-SNVBAGLBSA-N 301.371 2.799 0 40 DFAB CCn1/c(=N\C(=O)c2cc(C)no2)sc2cccc(OC)c21 12422479 RXSKKYSVPVPVGW-FOCLMDBBSA-N 317.370 2.769 0 40 DFAB CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 13739266 AQEKLENTVITNAM-WJDWOHSUSA-N 322.389 2.856 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-n2cnnn2)c1 15014777 OWIMRYCLYBBRJV-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB c1ccc2c(c1)NC1(CCN(CC3CC3)CC1)N1CCCN=C21 19375112 PTZYLMYIUNBTGS-UHFFFAOYSA-N 310.445 2.767 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)NCCc2ccccn2)c1 21184131 VSPGHEMJVDJUPV-UHFFFAOYSA-N 313.357 2.623 0 40 DFAB O=C(Nc1nncs1)c1ccc(CN2CCCCC2)cc1 21215129 DTGZTBCITFBYKV-UHFFFAOYSA-N 302.403 2.776 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 21972787 VNUXYEIVPDHUJD-UHFFFAOYSA-N 309.365 2.933 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccn1 24043155 CTPNWJBNLLXSSM-GFCCVEGCSA-N 304.777 2.861 0 40 DFAB COc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1OC 27932284 VTESAVBQPTUOJW-UHFFFAOYSA-N 313.419 2.623 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1C 30323559 BLLCGAPKUDSKGF-LBPRGKRZSA-N 309.387 2.945 0 40 DFAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)Cn2cccn2)c(C)s1 31396961 UACHEGHDLJYMQQ-NSHDSACASA-N 319.430 2.729 0 40 DFAB Cc1nc(C)c(C(=O)NCC2(CC(=O)O)CCCCC2)s1 32071916 JHWWMQKVIHNCFH-UHFFFAOYSA-N 310.419 2.915 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 32892058 SNUGFKKLAGQMNU-UHFFFAOYSA-N 302.330 2.634 0 40 DFAB C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)NC(C)(C)C 40062444 LCVDRFUHNHFFFQ-NSHDSACASA-N 303.406 2.750 0 40 DFAB COc1ccccc1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C 40108228 GYOSCSSDOJXNPH-GOEBONIOSA-N 305.418 2.949 0 40 DFAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C 40478665 QKIWGBUANDLHTM-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccsc2)CC1 40497420 POUCURHKERWICA-LBPRGKRZSA-N 308.447 2.905 0 40 DFAB Cc1cc(C(=O)N2CCC(c3nc(CC(C)C)no3)CC2)on1 40714719 RUKKRWBEKLAVAH-UHFFFAOYSA-N 318.377 2.584 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)NCCCNc1ccccn1 43725050 PJXRCCNSNLZHIR-AWEZNQCLSA-N 316.405 2.797 0 40 DFAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(Cl)c[nH]1 44895432 GSDHYRWJFFQXNB-UHFFFAOYSA-N 314.776 2.826 0 40 DFAB CC[C@@H]1CCCN(C(=O)NCc2cccnc2-n2cccn2)C1 46094245 TWVIAZWEBKCTQU-CQSZACIVSA-N 313.405 2.599 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)c1ccccc1Cl 51261203 YMHQGTMORWSWSY-CYBMUJFWSA-N 307.777 2.693 0 40 DFAB COc1ccc(CCC(=O)NCCN(C)c2ccccc2)cc1 53207276 LDELWIOMQBHXCQ-UHFFFAOYSA-N 312.413 2.880 0 40 DFAB NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 54887840 QOUFJVRTTCRKFT-UHFFFAOYSA-N 318.336 2.839 0 40 DFAB COc1ccccc1CNC(=O)[C@H](OC[C@@H]1CCCO1)C(C)C 58029630 RKRLWYMIWLAGTB-DOTOQJQBSA-N 321.417 2.532 0 40 DFAB C[C@H](Sc1ccc(O)cc1)C(=O)NC(=O)NC1CCCC1 58305419 OCSMUZOGXARSTF-JTQLQIEISA-N 308.403 2.641 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)Nc2nccs2)c1C 58514487 VQYISKHYYFLYBK-UHFFFAOYSA-N 306.391 2.827 0 40 DFAB O=C(O)c1[nH]c2cc(F)ccc2c1I 62709369 CEGUHGKEUNQOKS-UHFFFAOYSA-N 305.046 2.610 0 40 DFAB Cc1nc(C(=O)N(C)CC2CCCC2)nn1-c1ccc(F)cc1 64088922 WCFGJWMDPJWFKT-UHFFFAOYSA-N 316.380 2.977 0 40 DFAB CCc1noc([C@H]2CCCCN2C(=O)Cc2c(C)noc2C)n1 65286349 UJDAFQITVDVNDJ-CYBMUJFWSA-N 318.377 2.533 0 40 DFAB CC(C)OC(=O)CNC(=O)c1occc1COc1ccccc1 65491199 MQGQZIJZIMQMJY-UHFFFAOYSA-N 317.341 2.540 0 40 DFAB Cc1ccc([C@H](C)NC(=O)Cn2cnc3ccccc3c2=O)cc1 67317156 FCQJILAWGIMWTP-AWEZNQCLSA-N 321.380 2.582 0 40 DFAB C[C@H](NC(C)(C)CNC(=O)C[C@H]1CCCO1)c1ccccc1 68387207 XPEXWUOZYSFADB-GOEBONIOSA-N 304.434 2.801 0 40 DFAB COC(=O)[C@@H](c1ccc(F)cc1)N(C)Cc1cnc(C)s1 69378399 PSLTXIDHWLHZJD-CQSZACIVSA-N 308.378 2.937 0 40 DFAB CCSc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1 69594999 HIISBQFDAXUDKC-NSHDSACASA-N 305.407 2.600 0 40 DFAB C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(OC(F)(F)F)cc1 69617214 VFRIEWDHUOKJAC-RISCZKNCSA-N 318.339 2.566 0 40 DFAB CCc1noc(-c2ccc(CCNC(=O)N(CC)CC)cc2)n1 69780250 WHKGLBXQKVEAJY-UHFFFAOYSA-N 316.405 2.893 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)cn1 71796931 VXAZWTMBTRDNHM-INIZCTEOSA-N 323.400 2.593 0 40 DFAB Cc1cccc(-c2nc(CN3CCC[C@@H]3Cn3cccn3)no2)c1 71878606 WVNUIDVXTLMLIM-MRXNPFEDSA-N 323.400 2.906 0 40 DFAB CCOCCNC(=O)c1cn(C)nc1-c1ccccc1Cl 71888976 MPPFYEPPAUTRSW-UHFFFAOYSA-N 307.781 2.507 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 72235242 MDGZOVUUZPESNH-CYBMUJFWSA-N 320.343 2.650 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 72235648 CIHXMURJWFVGEN-CQSZACIVSA-N 323.400 2.854 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)n1 72235726 NWDHZULEQAUUFP-QGZVFWFLSA-N 312.417 2.691 0 40 DFAB CC(C)(C)c1nc(CNC(=O)Cc2ccc(Cl)cc2)no1 72288678 BPJOWGGCHDFUKD-UHFFFAOYSA-N 307.781 2.879 0 40 DFAB CC(=O)Nc1nc(C2CCN(c3cc(C)ncn3)CC2)cs1 72369042 XVVFCWZNMCPYGG-UHFFFAOYSA-N 317.418 2.584 0 40 DFAB CN(C(=O)c1ccc(F)c(Br)c1)c1cnn(C)c1 74958100 UAXAHEPYADYZLG-UHFFFAOYSA-N 312.142 2.598 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@](O)(c1ccco1)C1CC1 75154895 HKPYPZOZLXUYPM-QGZVFWFLSA-N 319.788 2.890 0 40 DFAB Cc1cnc(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)cn1 76089890 NUKGIZOYGVMQEI-GOSISDBHSA-N 310.445 2.739 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC)nn1 78067015 KNYYKOGVOFBQGF-GFCCVEGCSA-N 303.387 2.696 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 78155157 PWHLDZHFTGSYJC-HGYYMRRCSA-N 321.367 2.998 0 40 DFAB C[C@H](SCc1cc(F)cc2c1OCOC2)C(=O)NC1CC1 78557521 LJIANYXQXDILOB-VIFPVBQESA-N 311.378 2.593 0 40 DFAB CS(=O)(=O)/N=C(\O)c1cc(C2CC2)nc2ccc(F)cc12 83763033 KCIYCEFYXLZIER-UHFFFAOYSA-N 308.334 2.516 0 40 DFAB COCCC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCC1 83898040 GMQCFRDFGUJXLE-UHFFFAOYSA-N 313.401 2.695 0 40 DFAB Cc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H]2CO)cc1C 84180739 IYUHNRBDVCJKII-DOTOQJQBSA-N 305.418 2.740 0 40 DFAB CC(C)COc1ccc(CC(=O)N(C)C[C@@H]2CCCO2)cc1 84544452 UOBZSAFNSLXFQQ-KRWDZBQOSA-N 305.418 2.901 0 40 DFAB CCOc1ccc2nc(NCCCN3CCOCC3)sc2c1 85436324 VTQWZOATKGKESO-UHFFFAOYSA-N 321.446 2.829 0 40 DFAB NC(=O)NC1CCN(Cc2ccccc2OC2CCCC2)CC1 93051094 QJJYIGCKSGMOLI-UHFFFAOYSA-N 317.433 2.641 0 40 DFAB O=C(NCCC1CC1)NC1CCN(Cc2ccccc2F)CC1 95404484 PAEXFBNBXKPHMR-UHFFFAOYSA-N 319.424 2.889 0 40 DFAB C[C@@H]1CN(c2cc(CNc3ccncc3Cl)ccn2)CCO1 95408663 IBOKNFUYERQAME-GFCCVEGCSA-N 318.808 2.967 0 40 DFAB Cc1cc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)o1 95416799 YSMZSPGBYLFLSX-INIZCTEOSA-N 315.373 2.654 0 40 DFAB Cc1cc(CC(=O)NCCCOc2ccc3ccccc3c2)n[nH]1 95417016 UAMMNOXODUXRDR-UHFFFAOYSA-N 323.396 2.999 0 40 DFAB O=C(Nc1cccnc1N1CCCC1)[C@H]1OCCc2ccccc21 95432557 NJYFENQIPHCDDG-KRWDZBQOSA-N 323.396 2.934 0 40 DFAB CC[C@@H](NC(=O)N[C@](C)(CO)C1CC1)c1ccccc1OC 95966560 KKPVRCXQAVQZJP-RHSMWYFYSA-N 306.406 2.607 0 40 DFAB COc1ccc(OC(=O)c2cnc3[nH]c(C)nc3c2)cc1F 96011869 LZOBERJZJXFVFV-UHFFFAOYSA-N 301.277 2.633 0 40 DFAB CN1C(=O)C2(CCN(Cc3ccccn3)CC2)c2ccccc21 96052495 KMUVVXRIUKFVDT-UHFFFAOYSA-N 307.397 2.592 0 40 DFAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccc1)COC3 96112620 CQOPESJHCJHOIC-HNNXBMFYSA-N 323.396 2.906 0 40 DFAB biogenic,in-vitro CCO[C@@H]1COC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1 96220583 XNXTVZPGQDQMAR-INIZCTEOSA-N 303.402 2.795 0 40 DFAB CC1(C)CC(=O)N(Cc2csc(Br)c2)C1=O 96402612 NTDXXISBDBQTQN-UHFFFAOYSA-N 302.193 2.796 0 40 DFAB Cc1ccc(OC(=O)C2CCN(C(=O)N(C)C)CC2)c(Cl)c1 96418978 HUIVIQDFGFGTAV-UHFFFAOYSA-N 324.808 2.947 0 40 DFAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cnc[nH]3)cc2)n1 96449750 CYGCYVYWQIUJMR-ZDUSSCGKSA-N 309.373 2.703 0 40 DFAB O=C(NCc1ccco1)N1CCC(OC[C@H]2CCCCO2)CC1 96455565 DWPBCMHOOHKTSS-MRXNPFEDSA-N 322.405 2.539 0 40 DFAB CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)NC(=O)c1ccccc1N2 96485383 PMZOJTXMWUDVDU-XWCIJXRUSA-N 302.374 2.538 0 40 DFAB CC(=O)Nc1nc(CN[C@H](C)[C@H]2COc3ccccc32)cs1 97374670 DNGHYVIICUKTTL-QMTHXVAHSA-N 317.414 2.756 0 40 DFAB COc1cc(C=O)cc(OC)c1OC(=O)c1ccccc1F 98087146 LYGACXCBRYHNMM-UHFFFAOYSA-N 304.273 2.875 0 40 DFAB O=C(c1c(F)cccc1F)N1[C@@H]2CC[C@@H]1c1snnc1C2 100212481 BZFZKNHXLZSBRX-RDDDGLTNSA-N 307.325 2.718 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101266513 AATLTRSTZYMCGM-YQQAZPJKSA-N 314.404 2.796 0 40 DFAB O=c1c(NCCC2=CCCCC2)c(NCc2ccccn2)c1=O 101699136 BPIIDKCFSOJLOR-UHFFFAOYSA-N 311.385 2.592 0 40 DFAB Clc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1 105802029 HXGSHUHCSYBATM-CQSZACIVSA-N 302.809 2.889 0 40 DFAB CN1CC[C@H](NC(=O)Nc2ccncc2F)[C@@H]1c1ccccc1 189755896 NFSDRVWGZOTNDH-HOTGVXAUSA-N 314.364 2.788 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@@H](O)c1cccc2ccccc12 206701204 WMBVVTDWOKUNOX-GOSISDBHSA-N 324.380 2.837 0 40 DFAB Cc1cc(SCC(=O)O)nc(COc2ccc(F)cc2)n1 217691879 WCPBKHQUJHEDLD-UHFFFAOYSA-N 308.334 2.680 0 40 DFAB COc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1F 225450803 JIQIEZAFOYNXHJ-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccccc2C(=O)O)C1 228909260 ZXLWUWFFDCSRCJ-LBPRGKRZSA-N 320.389 2.736 0 40 DFAB C[C@H]1CSc2ccccc2CN1C(=O)[C@@H]1CCCCC(=O)N1 252503023 UXLYMXMQVAMGBI-JSGCOSHPSA-N 318.442 2.568 0 40 DFAB Cc1cnc(Nc2nccc([C@@H]3CCCCN3CCO)n2)s1 257226420 FKOHVHFDCCDJRU-ZDUSSCGKSA-N 319.434 2.504 0 40 DFAB Nc1nc2nc(C3CCNCC3)cc(C(F)(F)F)c2s1 257239189 HOHDRNWFDSEZTK-UHFFFAOYSA-N 302.325 2.759 0 40 DFAB CCc1nc(C)c(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)[nH]1 257250127 JLDGGVBRPFOGNZ-YJBOKZPZSA-N 318.465 2.694 0 40 DFAB CCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707301 MMTFHMMDSXIGRQ-UHFFFAOYSA-N 324.424 2.851 0 40 DFAB O=C(O)c1coc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 579597925 KFWDLNFISXRAAL-LBPRGKRZSA-N 308.721 2.604 0 40 DFAB C[C@H]1C[C@@H](C)N(C(=O)c2nn(-c3cccc(F)c3)cc2O)C1 581674224 WDVQJVWZTBDKAD-WDEREUQCSA-N 303.337 2.588 0 40 DFAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3ccco3)[C@H]2O)cc1 585285235 NMZTZQRAIGBQHD-FRFSOERESA-N 315.369 2.536 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC1(C)C 953033826 UWVJGBKZQOGDSX-AWEZNQCLSA-N 305.374 2.844 0 40 DFAB COc1ccc(CN2CCC[C@]3(CCC(=O)N3C)CC2)cc1 1615101555 FLYNCZZYOPTHJX-SFHVURJKSA-N 302.418 2.672 0 40 DFAB COc1ccccc1CCNc1cc(-n2cc(C)cn2)ncn1 1888913780 PEFOSQOIEHZBPZ-UHFFFAOYSA-N 309.373 2.634 0 40 DFAB CCc1nccn1CC1CN(c2ncccc2C(F)(F)F)C1 2086882998 PTTNMEDYLGRNNU-UHFFFAOYSA-N 310.323 2.996 0 40 DFAB COc1ccc(-c2[nH]c(C=O)nc2Br)cc1OC 1857794896 SDSFZMQMYGJQCQ-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)cc1 8869650 VPGGILRINCREPF-OAHLLOKOSA-N 307.305 2.674 0 40 DFAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(F)cc2)C1=O 1361777 OGMKXHOSRITBOE-LLVKDONJSA-N 314.316 2.578 0 40 DFAB Nc1nccnc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 78727100 WRLPOPOOAWNQJU-HUUCEWRRSA-N 310.401 2.590 0 40 DFAB O=C(NCc1ccncc1)c1nc(-c2ccc3cc[nH]c3c2)no1 12322196 UAURRXKPLKRHSB-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)NCCCc1ccccc1)C(=O)OC 2420063 WGJHDUHWWIVSPF-HIFRSBDPSA-N 306.406 2.506 0 40 DFAB O=C(Nc1cccnc1Cl)c1ccc(Cn2cccn2)o1 2764073 FOOXEFNKIDOMPQ-UHFFFAOYSA-N 302.721 2.825 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C=C(C)C)c1 22833013 GJNQOZTZGNMZLY-UHFFFAOYSA-N 324.446 2.930 0 40 DFAB Cc1cccc(CSc2nc3nc(O)[nH]c(=O)c3s2)c1 4987567 CAJHGMIXBVWPBY-UHFFFAOYSA-N 305.384 2.686 0 40 DFAB COc1ccc(CNC(=O)Cc2cc(OC)ccc2OC)cc1 6539897 SPEVHRBQXXCSRK-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB O=C(Nc1cccc(F)c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O 37572899 XENMQGGHKXNRAT-HNNXBMFYSA-N 316.307 2.956 0 40 DFAB COCCn1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cn1 42808697 QFQIFOVVTFAPHJ-JTQLQIEISA-N 324.331 2.690 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 72235236 WMBHYDHGGPEGJR-OAHLLOKOSA-N 318.446 2.753 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1ccc2c(c1)OCO2 105921665 QURFWEVNZJWXKN-OBJOEFQTSA-N 316.353 2.968 0 40 DFAB C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426223 HSEZYTGWURCNJF-HZPDHXFCSA-N 323.481 2.652 0 40 DFAB O=C(Nc1ccc(Br)cc1F)C1CCOCC1 24636042 DIAIXTJVBDTLJI-UHFFFAOYSA-N 302.143 2.953 0 40 DFAB CC(C)c1nc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 72283031 VXXCSULHPIXITK-GFCCVEGCSA-N 318.446 2.938 0 40 DFAB CC(C)(C)c1ccc(OC(F)(F)C(=O)N2CCOCC2)cc1 3116794 SPKYEVKBACEZCT-UHFFFAOYSA-N 313.344 2.815 0 40 DFAB O=C(NCc1cc(-c2ccco2)on1)c1ccc2c(c1)OCO2 22768493 QXBVABVEOPSAQA-UHFFFAOYSA-N 312.281 2.593 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)C[C@@H](C)O1 57265363 LDABIDJKKGSQAF-AOOOYVTPSA-N 300.305 2.929 0 40 DFAB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccncc2)C1 58132600 JQWUBUUUSFJLCY-KBPBESRZSA-N 318.421 2.630 0 40 DFAB CC(C)c1nnc(CCC(=O)N2CCc3ccc(F)cc32)o1 176683504 SATVDZWBQJWZHL-UHFFFAOYSA-N 303.337 2.854 0 40 DFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1cccs1 58159787 PCLITPDFPBCHMO-LBPRGKRZSA-N 324.471 2.631 0 40 DFAB C[C@H](C(N)=O)N(C)Cc1ccc(OCc2cccs2)cc1 58209613 QTTINFAAHBLDIG-GFCCVEGCSA-N 304.415 2.633 0 40 DFAB CCc1cc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)[nH]n1 58251010 KQSVUSDXKAWFHC-UHFFFAOYSA-N 313.361 2.508 0 40 DFAB CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 58268513 FAHHMZGQBPLCMM-ZDUSSCGKSA-N 307.413 2.555 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2n1CCC2 44934525 QIMWCTVJVTZTAY-MRVPVSSYSA-N 308.744 2.508 0 40 DFAB Cc1cnc(NS(=O)(=O)c2cccc3ncccc23)s1 58304538 IFSQQBPIRVSEFT-UHFFFAOYSA-N 305.384 2.801 0 40 DFAB Cc1nc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)oc1C 58342882 IXGPXSXYDAABJQ-LBPRGKRZSA-N 322.430 2.888 0 40 DFAB Cc1noc([C@@H](C)NC(=O)CCOc2ccc(C)c(C)c2)n1 58343274 JRYQIWVENKZOAO-GFCCVEGCSA-N 303.362 2.641 0 40 DFAB CC(C)c1ccc(-c2noc(CCN3CCOCC3)n2)cc1 72405279 UCPSIWRPFOYSHG-UHFFFAOYSA-N 301.390 2.735 0 40 DFAB CC(C)c1noc(CCCNC(=O)[C@@]2(C)CC2(Cl)Cl)n1 58429752 XITJSLITJYURDK-GFCCVEGCSA-N 320.220 2.826 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccccc2)c(OC)c1 3340321 WELDXWZADPNQTG-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CCO[C@H](CC)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 65588232 MKPPBEOYYBSABO-LSDHHAIUSA-N 308.422 2.656 0 40 DFAB Cc1cccc(CN2CC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 107226032 UJIULTFOMYEFJM-MOPGFXCFSA-N 324.428 2.631 0 40 DFAB COc1cccc(CCNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 48301055 DYWBDSCAQQKMEB-CYBMUJFWSA-N 302.201 2.938 0 40 DFAB O=C(O)c1ccn(-c2nc(-c3ccco3)cc(C(F)F)n2)n1 2554220 JCESCARTSRUOSR-UHFFFAOYSA-N 306.228 2.558 0 40 DFAB CCc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3489883 XRTWOQNRMJDDMD-UHFFFAOYSA-N 323.392 2.991 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 12988287 PHVDENPPJYAKRF-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CNC(=O)COc1ccc(CNCc2ccc(Cl)s2)cc1 48782149 FTZDDGSBWIWNDU-UHFFFAOYSA-N 324.833 2.816 0 40 DFAB CCOc1ccc2nc(NC(=O)c3ccc[nH]c3=O)sc2c1 13007467 CKWZBEGTTYQMDE-UHFFFAOYSA-N 315.354 2.636 0 40 DFAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)O)cs1 13300828 IZUBMZTWKOTCEB-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB CC(C)(C)CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9196781 JNKWQBJWWJFZMF-CYBMUJFWSA-N 318.417 2.970 0 40 DFAB COc1ncc(NC2CCC(C(F)(F)F)CC2)cc1C(N)=O 97162289 QMVHULNDWZFFKP-UHFFFAOYSA-N 317.311 2.722 0 40 DFAB CC(C)[C@H]1OCC[C@@H]1CNCc1ccccc1N1CCOCC1 97165765 FNWDDWVCHGGRKX-IEBWSBKVSA-N 318.461 2.674 0 40 DFAB Nn1c(SCc2ccccc2F)nc2ccccc2c1=O 71327700 SSOPMGOAORZIJZ-UHFFFAOYSA-N 301.346 2.542 0 40 DFAB CCc1nnsc1C(=O)N1C[C@H](CC)Oc2ccccc21 95401765 DHYPNPWSKHHOIC-JTQLQIEISA-N 303.387 2.918 0 40 DFAB COC(=O)c1sc(NC(=O)/C=C/c2cccs2)nc1C 6254974 RRBYGIUFDTYQAJ-AATRIKPKSA-N 308.384 2.952 0 40 DFAB Cc1ccc(C)n1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 65487532 KOFZJJZQTMLAQB-UHFFFAOYSA-N 323.400 2.854 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2C2CCCC2)c(=O)[nH]1 65538600 VYCOXLTVKYZGEF-MRXNPFEDSA-N 317.433 2.856 0 40 DFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 20671366 WOGDLTPMBURDNE-LLVKDONJSA-N 310.332 2.739 0 40 DFAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc[nH]n1 65806932 OKERBLIOGHHKTL-UHFFFAOYSA-N 306.369 2.956 0 40 DFAB O=C1Nc2ccccc2[C@]12CC(c1cc3ccccc3o1)=NN2 9340997 DBUCWWXZNMFKPR-GOSISDBHSA-N 303.321 2.978 0 40 DFAB CC(C)n1c(S[C@H](C)C(=O)N(C)C)nc2ccccc2c1=O 7114324 LEOPXSCTTNXYDY-LLVKDONJSA-N 319.430 2.546 0 40 DFAB O=C1CSc2ccc(C(=O)Nc3ccccc3O)cc2N1 9478293 XBSAEKYIKFVKID-UHFFFAOYSA-N 300.339 2.689 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 96455174 UQZJOAUBPHSWSZ-MCIONIFRSA-N 315.417 2.800 0 40 DFAB CCN1CCC(Nc2ncnc3c2cnn3-c2ccccc2)CC1 9501868 UOFSPHVMMLRTKW-UHFFFAOYSA-N 322.416 2.712 0 40 DFAB CC1(C)CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CCO1 71853375 BGICFPOTDCITNR-UHFFFAOYSA-N 305.422 2.767 0 40 DFAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 20109083 JUMNGHHATLYBAW-GFCCVEGCSA-N 312.369 2.754 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CC[C@@H]2CCCO2)n1 70039909 ZPHJIFFXEUYNPU-SJORKVTESA-N 319.449 2.840 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2c2ccco2)C1 71909495 YEXYKWAOVTVWEE-UONOGXRCSA-N 312.435 2.783 0 40 DFAB CN(C)CC1CCN(CCC(=O)Nc2ccccc2Cl)CC1 69515213 MKLVAMCOSLNQCN-UHFFFAOYSA-N 323.868 2.942 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c2n[nH]cc2c1 69656461 ACUFBDIPFPAESR-CQSZACIVSA-N 309.373 2.545 0 40 DFAB C[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)n1cnc2ccccc21 69741332 LQFDLEVLFTXZBY-HUUCEWRRSA-N 323.400 2.658 0 40 DFAB CNC(=O)c1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)cc1 69967759 VZBJMRRDFRQYCF-SNVBAGLBSA-N 303.362 2.867 0 40 DFAB Cc1cccc(N2CCN(C(=O)NCCc3ccco3)CC2)c1 9752990 ZGMODMNHJVEUAM-UHFFFAOYSA-N 313.401 2.662 0 40 DFAB COc1cc(OC)cc(C(=O)OCC(C)(C)CN2CCCC2)c1 95942840 ACUBTGXHXOWENP-UHFFFAOYSA-N 321.417 2.983 0 40 DFAB OCCOc1cc(F)ccc1NCc1cnc(Cl)s1 95976487 QKCZSYUIQXLWLR-UHFFFAOYSA-N 302.758 2.919 0 40 DFAB Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 95975925 HTDIAOWBBDCWFZ-MRXNPFEDSA-N 310.401 2.810 0 40 DFAB C[C@@H]1COCCN1C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 74894269 WFKYRQVPHCJIEH-MEBBXXQBSA-N 310.344 2.846 0 40 DFAB COC[C@H]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)C1 74928563 AMFXRWILPBXANL-XJKSGUPXSA-N 324.396 2.581 0 40 DFAB CC(C)[C@@H](C)N(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 86372557 SSOAVTUIUQJWLP-VXGBXAGGSA-N 321.387 2.842 0 40 DFAB C[C@H]1COC2(CCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)O1 89941311 SWLIUWFQNLGMBH-CNSOWSRNSA-N 319.445 2.813 0 40 DFAB Cc1cccc(-c2nc(C(N)=O)nn2-c2cc(C)ccc2C)c1 408694358 JMTOUTYWFREGLF-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C)c(O)c2)c(OC)c1OC 68740813 RISKVFOYTSNBNI-UHFFFAOYSA-N 317.341 2.979 0 40 DFAB O[C@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 20218778 POTXBRSAGZZFCQ-GOSISDBHSA-N 318.367 2.820 0 40 DFAB Cc1nn(-c2ccccn2)c(C)c1/C=C/c1cc(C(=O)O)ncn1 549911063 LQHTZRKUZWEIEU-VOTSOKGWSA-N 321.340 2.543 0 40 DFAB CC(=O)Nc1cccc(Oc2nccnc2[C@@H]2CCCNC2)c1 72361064 DVFFCHZNKSTQNU-CYBMUJFWSA-N 312.373 2.694 0 40 DFAB CCN(Cc1cccc(Br)c1)C(=O)[C@@H](N)C(C)C 79420620 BZNXHCLBYUYZAB-ZDUSSCGKSA-N 313.239 2.781 0 40 DFAB CC[C@@](C)(NCC(=O)NCc1cccc(C)c1)c1nccs1 72685275 JIIIGDFSDUFYAA-QGZVFWFLSA-N 317.458 2.983 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@H](c2ccn[nH]2)C1 72369501 NJPMDCKOPHJRMS-AWEZNQCLSA-N 306.369 2.978 0 40 DFAB C[C@H]1CN(CC(=O)c2ccccc2Br)C[C@H](C)O1 25315387 LSWRTEMLPBKQEH-QWRGUYRKSA-N 312.207 2.741 0 40 DFAB O=C(NCc1nc(-c2ccccn2)no1)OCc1ccccc1 78773789 ZSRALIGQCLFYSX-UHFFFAOYSA-N 310.313 2.558 0 40 DFAB CC(C)c1ncnc(N2CCCC2)c1I 217586706 DRBZJWZOXSHBNE-UHFFFAOYSA-N 317.174 2.805 0 40 DFAB CCC1CCC(NC(=O)C(=O)Nc2ccc(F)cc2F)CC1 73742991 OHYDRNSYUGNNBB-UHFFFAOYSA-N 310.344 2.988 0 40 DFAB COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344907 KPDFRFABODOISC-NZXMKCKXSA-N 316.184 2.775 0 40 DFAB O=C(CSCc1ccccc1)NCc1cnn2c1CCCC2 225609744 BFAHPWPICBDOCJ-UHFFFAOYSA-N 315.442 2.769 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1 225426395 BNNQCHJXEUGARY-HNNXBMFYSA-N 322.368 2.560 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccnc2)C1 225731963 AMSNCJHAXSZPGN-OKILXGFUSA-N 306.479 2.736 0 40 DFAB CN(C(=O)CCCC(C)(C)C)[C@H]1CCC[C@H]1S(C)(=O)=O 85294912 HGRMTCFZIVPXDF-QWHCGFSZSA-N 303.468 2.627 0 40 DFAB CS(=O)(=O)CCCN1CC=C(c2ccc(Cl)cc2)CC1 83422969 LVVAAXOMIUGVPZ-UHFFFAOYSA-N 313.850 2.864 0 40 DFAB CO[C@@H]1CCCN(CCOc2ccc(C(=O)O)cc2Cl)C1 578634847 LGHDXWNAONURCI-GFCCVEGCSA-N 313.781 2.528 0 40 DFAB CC1CCN(c2cccc(NC(=O)Cc3cnn(C)c3)c2)CC1 96416579 MUWMNQNNUGEVGK-UHFFFAOYSA-N 312.417 2.838 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)n1 331796676 LCNWPQSNYPNBGK-HIFRSBDPSA-N 316.401 2.843 0 40 DFAB CCc1nn(C)cc1N[C@@H](C)C(=O)N1CCCc2ccccc21 331781868 MXCNECGFXQAZKA-ZDUSSCGKSA-N 312.417 2.762 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)[nH]c2ccccc12 96495111 YZEXHRDPBZNEAF-AWEZNQCLSA-N 323.400 2.895 0 40 DFAB Cc1ccc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)o1 96061081 CLWBUMUPGUJSDZ-INIZCTEOSA-N 324.384 2.535 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 69454074 GFYAICYHFPDQDW-AWEZNQCLSA-N 320.408 2.903 0 40 DFAB O=c1onc(-c2ccccn2)n1Cc1ccc(OC(F)F)cc1 69439346 WMCZUIFCPRMBDF-UHFFFAOYSA-N 319.267 2.548 0 40 DFAB COc1nsc2nc([C@H]3CCCN3c3ncccn3)ccc12 257223492 DXPALTAURCLHRE-GFCCVEGCSA-N 313.386 2.831 0 40 DFAB COc1ccc(CN(Cc2n[nH]c(=O)s2)[C@H](C)C2CC2)cc1 284166136 QLWSSLARVVRDIH-LLVKDONJSA-N 319.430 2.641 0 40 DFAB COC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)[C@H]1CCCO1 284908378 VDZFHCQWBPNTEH-VHDGCEQUSA-N 317.389 2.581 0 40 DFAB CCOCCCNC(=O)N[C@H](C)CCc1ccc(OC)cc1 62932597 DXMPVJFUZDPZFX-CQSZACIVSA-N 308.422 2.742 0 40 DFAB O=C(Nc1cccc2nccn12)C1(C(F)(F)F)CCOCC1 857589503 HPEWIXVXBUUGFA-UHFFFAOYSA-N 313.279 2.632 0 40 DFAB CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 67366468 HHDVVHKXHHXTHM-OAHLLOKOSA-N 316.445 2.972 0 40 DFAB COCCN(CCOC)C(=O)N[C@H]1CCSc2ccccc21 53962688 RJKPGLCHDJQHJX-AWEZNQCLSA-N 324.446 2.528 0 40 DFAB O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCOc2ccncc21 75105466 WWDWNASWVUFPPE-MNOVXSKESA-N 316.307 2.889 0 40 DFAB COc1cccc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 83973362 PAMRTBJVQRFGSV-HNNXBMFYSA-N 313.401 2.757 0 40 DFAB COc1ccc2cc(C(=O)N(C[C@@H]3CCOC3)C3CC3)[nH]c2c1 83970266 QBGLPQPQKWZOES-LBPRGKRZSA-N 314.385 2.818 0 40 DFAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(N)c1 76859776 OXWWNXLAPNHTQE-UHFFFAOYSA-N 300.314 2.649 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc2c(c1)OCC2 1772714691 JAADVGLJOVYOBT-CYBMUJFWSA-N 321.373 2.532 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12 13637302 GIORAQZWVXDTPS-MRXNPFEDSA-N 319.364 2.731 0 40 DFAB CCc1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc1 14165486 DOYFEAAICDHZGE-OAHLLOKOSA-N 310.353 2.977 0 40 DFAB Cc1cccnc1-c1cc(O)n2nc(C3CCOCC3)cc2n1 19237883 ZXYYPPQAGWALDB-UHFFFAOYSA-N 310.357 2.699 0 40 DFAB COc1ccnc(CNC(=O)N2CC3(CCCC3)[C@H]2C(C)C)n1 521616372 DZJFGBWWOGHCHV-OAHLLOKOSA-N 318.421 2.595 0 40 DFAB CCCC(CCC)C(=O)NCc1nnnn1-c1ccc(F)cc1 9570993 NXOCVIZRYIDEHK-UHFFFAOYSA-N 319.384 2.634 0 40 DFAB Cc1ccccc1NC(=O)NCC1CCN([C@@H]2CCOC2)CC1 575415729 YSTSQYPLXJCIHA-MRXNPFEDSA-N 317.433 2.617 0 40 DFAB CCOC(=O)C(=O)Nc1cccc(Cl)c1Br 233687656 KWDGRUGEALLOMX-UHFFFAOYSA-N 306.543 2.604 0 40 DFAB CCn1cc(Br)c(C(=O)N2CCCCCC2)n1 28234100 KFAGOXHGWDZGIH-UHFFFAOYSA-N 300.200 2.682 0 40 DFAB CCc1ccc(C(=O)N2CC[C@]3(COc4ccccc43)C2)cn1 1614941077 ITTZTMWCWCCKCW-LJQANCHMSA-N 308.381 2.820 0 40 DFAB COC(=O)[C@]1(CC(F)F)CC[C@@H](NC(=O)OC(C)(C)C)C1 1776011134 UTWWGEVIPJQEGJ-YMTOWFKASA-N 307.337 2.878 0 40 DFAB Cc1ccccc1[C@@H]1CCN(C(=O)N2CCOCC2)CCS1 219299074 IGQXXYYJPPECDE-INIZCTEOSA-N 320.458 2.927 0 40 DFAB COC(=O)N1CCC(CNC(=O)Nc2ccc(C)c(C)c2)CC1 43982836 LSXUCUSZGAIXGF-UHFFFAOYSA-N 319.405 2.903 0 40 DFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 7168008 CBVQPSUPCZGJOI-LLVKDONJSA-N 314.263 2.506 0 40 DFAB CNc1snc(C)c1C(=O)NCCCOCc1ccccc1 30865876 LLFIJKBQDVJPFZ-UHFFFAOYSA-N 319.430 2.830 0 40 DFAB NC(=O)c1ccc(CN(C(=O)NCc2ccccc2)C2CC2)cc1 40497835 MPSWIIQTUUIVAN-UHFFFAOYSA-N 323.396 2.660 0 40 DFAB FC(F)(F)c1ccc(-c2noc(CN3CCOCC3)n2)cc1 40488695 GLURYEWECUUGPZ-UHFFFAOYSA-N 313.279 2.588 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 31662429 WQHSVDWYMGGYJZ-QMMMGPOBSA-N 304.268 2.551 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc3nsnc3c2)c1 267882 CZDXDZTUNBPUIJ-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)CCCCC(=O)c1ccccc1 52194244 KALWZJYXFVSXOL-WBVHZDCISA-N 316.445 2.886 0 40 DFAB O=C(CCc1ccccc1)NCc1cccnc1-n1ccnc1 32777605 CXMIEARJPKIFTE-UHFFFAOYSA-N 306.369 2.516 0 40 DFAB CCCCNC(=O)N[C@@H](c1ccccc1OC)c1nccn1C 32854043 KBTWCAPXLZPKDG-HNNXBMFYSA-N 316.405 2.617 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)NCc1cccs1 32933418 IALNTSJITKIWTM-UHFFFAOYSA-N 312.398 2.933 0 40 DFAB O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1cccc(Cl)c1 522645 FDKLNIZBIJDNOZ-AWEZNQCLSA-N 316.744 2.868 0 40 DFAB NS(=O)(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 78884306 FTNJVERMIFBSGJ-OAHLLOKOSA-N 322.455 2.509 0 40 DFAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc2c(c1)CCCC2 53525187 HVTSTQJJYVBCPP-UHFFFAOYSA-N 319.368 2.998 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)c(C)c1 4965855 CQAIZLUCUCTTSW-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB C[C@]12CC[C@H]3[C@@H]([C@@H](O)C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 6067655 VFPMCLQMAUVEHD-UCPSWNCLSA-N 306.446 2.930 0 40 DFAB COCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1 8296563 KMROHNVRFYLZIR-UHFFFAOYSA-N 317.414 2.995 0 40 DFAB CCOC(=O)[C@@H]1CC[C@H](Cc2ccc(C(F)(F)F)cc2)N1 1537961489 KCHFAJCDSGUQLB-OLZOCXBDSA-N 301.308 2.932 0 40 DFAB Cc1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 1308737 JGIVAPBWIGPMMR-UHFFFAOYSA-N 320.348 2.824 0 40 DFAB Cc1cc(C)n(CCCNC(=O)Cc2ccc(Cl)cc2)n1 22412516 RDWUJEPGFYSXHB-UHFFFAOYSA-N 305.809 2.902 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)NCCC2CCCC2)cc1 43417407 SOAGYMQMKKWNHT-UHFFFAOYSA-N 310.419 2.792 0 40 DFAB CN(C)c1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 25330025 YBKIKNNLYVDBEU-MRXNPFEDSA-N 317.458 2.847 0 40 DFAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC1CCC(O)CC1 56528838 OZIFSOJNUYHOPU-QQFBHYJXSA-N 320.433 2.673 0 40 DFAB O=C(NC[C@H](O)c1ccco1)[C@H]1CCCC[C@H]1C(F)(F)F 107522975 MYZLBOZEQOELMY-AXFHLTTASA-N 305.296 2.798 0 40 DFAB O=C(/C(=C\c1ccccc1)n1ccccc1=O)N1CCCCC1 12629577 GQAOTFNVZJZYRQ-BMRADRMJSA-N 308.381 2.859 0 40 DFAB CSC1=NCCN1C(=O)Cc1csc(-c2ccoc2)n1 96454385 NAZAQAYCSYEQHF-UHFFFAOYSA-N 307.400 2.507 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@@H]1CO 96435033 DWGUBSNPPLBQSJ-PWSUYJOCSA-N 311.813 2.689 0 40 DFAB COc1ccc(CCNC(=N)NCc2ccc(F)c(C)c2)cc1 58411540 JFEYFDPXMKPTPD-UHFFFAOYSA-N 315.392 2.999 0 40 DFAB O=C1C[C@@H](c2cccs2)Cc2nc(NC(=O)C3CC3)ncc21 2201506 GZRGILKEJUZJBJ-JTQLQIEISA-N 313.382 2.799 0 40 DFAB COc1ccc(CC(=O)NCCOc2ccc(F)cc2)cc1 22479876 YTSQLXLFDWKLHL-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB CCN(C(=O)c1ccc(N(C)C)c(F)c1)c1ccc(OC)nc1 58852578 DQTCIWLHQYVQSQ-UHFFFAOYSA-N 317.364 2.962 0 40 DFAB O=C(COc1ccc(Cl)cc1)Nc1noc2ncccc12 11694953 JOSOFFRKTBIMGI-UHFFFAOYSA-N 303.705 2.894 0 40 DFAB Cc1cccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)c1 3417596 NMGGRZYMXFMBSK-UHFFFAOYSA-N 312.369 2.892 0 40 DFAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 18210488 UVBYRSKJMSBTPH-NWDGAFQWSA-N 324.306 2.951 0 40 DFAB CNC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C 2649323 LOHYBYGIKVWIAY-UHFFFAOYSA-N 312.369 2.950 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2sccc12 2642021 SGDWEZFLOLHYRM-UHFFFAOYSA-N 323.374 2.940 0 40 DFAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cn1 3507881 JIVNJENJAOMCHA-SECBINFHSA-N 320.732 2.625 0 40 DFAB O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(Cl)c1 4003059 XIHJDHIXVXOFBA-UHFFFAOYSA-N 303.749 2.554 0 40 DFAB CC(C)(C)c1nnc2sc([C@@H]3COc4ccccc4O3)nn12 5015475 KQNXYCMNSUUNRG-NSHDSACASA-N 316.386 2.996 0 40 DFAB C[C@H](Nc1ncnc2ccsc12)C(=O)N1CCCC[C@H]1C 65593431 REPSZVINSRQSDT-MNOVXSKESA-N 304.419 2.893 0 40 DFAB Cc1cc(C(=O)OCC(=O)NCCC(C)C)c2ccccc2n1 5355807 UQNFZSNGQDLSNY-UHFFFAOYSA-N 314.385 2.862 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccco1 14186083 AOMVNMLZDIKHEH-VIFPVBQESA-N 302.355 2.815 0 40 DFAB Cc1cccc(-c2nn(CN3CCO[C@@H](C)C3)c(=S)n2C)c1 14139787 PQSGIQPFLXIDOT-ZDUSSCGKSA-N 318.446 2.605 0 40 DFAB O=C(CCNC(=O)NCc1ccccc1)Nc1ccccc1F 14227423 WQDHUYSFCHSSIY-UHFFFAOYSA-N 315.348 2.654 0 40 DFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC1 5635951 OGGBSAJXFSZUPW-UHFFFAOYSA-N 322.430 2.600 0 40 DFAB COc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 14898322 KNZPEHMOZVUMEE-UHFFFAOYSA-N 310.357 2.846 0 40 DFAB O=C(O)CCCC(=O)NCCc1ccc(Cl)cc1Cl 6880635 RWSAQELIDUUEPR-UHFFFAOYSA-N 304.173 2.907 0 40 DFAB O=C(COC(=O)c1cccs1)NCCc1ccc(Cl)cc1 7533353 FDQQIERQTYGPAU-UHFFFAOYSA-N 323.801 2.917 0 40 DFAB COCCCC(=O)NCCc1nc(-c2ccccc2)oc1C 71850855 KFHNEHWHYPDQTK-UHFFFAOYSA-N 302.374 2.735 0 40 DFAB COc1ccc(C)cc1CN1CCC[C@H]1[C@@H]1CCCN1C(C)=O 71880536 HDXYCBLYQRAHGN-ROUUACIJSA-N 316.445 2.979 0 40 DFAB CCOc1ccc(C(=O)CCC(=O)NCc2ccccn2)cc1 8289936 GDGPWIIMDPPBPY-UHFFFAOYSA-N 312.369 2.760 0 40 DFAB Cc1ccc(Oc2cc(CNC(=O)c3c[nH]nn3)ccn2)cc1C 69325606 MPHYKMUJVCLQMQ-UHFFFAOYSA-N 323.356 2.539 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1c(O)[nH]c2ccccc2c1=O 17043301 GRMWGRHOPZDVPG-UHFFFAOYSA-N 316.263 2.764 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)NCCc1ccc(F)cc1 25365896 NXVXZLSWOQQKCO-UHFFFAOYSA-N 311.353 2.627 0 40 DFAB O=C(NCc1cccc(OCC(F)F)c1)N1CCSCC1 69589858 QRIASGWQNJITGS-UHFFFAOYSA-N 316.373 2.589 0 40 DFAB CS[C@H](C)c1nc(-c2cccc(CN3CCOCC3)c2)no1 69737789 KYHJNZQJBKWFBB-GFCCVEGCSA-N 319.430 2.993 0 40 DFAB COc1cccc(-c2noc([C@@H](C)NC[C@@H]3CCCCO3)n2)c1 97374553 KIKXMMKXGSZYST-DOMZBBRYSA-N 317.389 2.965 0 40 DFAB Cc1cc(NCc2nnc(Cc3ccccc3)o2)ccc1C(N)=O 84089996 IAAOKMBDEXMVNR-UHFFFAOYSA-N 322.368 2.680 0 40 DFAB COC(=O)C[C@H]1CSCCN1Cc1csc(C(C)C)n1 84631002 NGNLGCMVYFSMSE-LBPRGKRZSA-N 314.476 2.747 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cn2ccccc2n1 84187937 OXNNDNYGJAUHCW-UHFFFAOYSA-N 323.352 2.564 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cnn(C)c1 97057913 OTXJHRZLHBPRSY-JTQLQIEISA-N 311.307 2.800 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 97039571 ABKHRKCXHVCDCW-ZDUSSCGKSA-N 319.405 2.715 0 40 DFAB COc1c([C@@H]2CCCN2C[C@H](O)c2ccccc2)c(C)nn1C 72253701 MADYBCYGPJZGMX-HOTGVXAUSA-N 315.417 2.608 0 40 DFAB O=C(Cc1cccnc1)Nc1cc(CCc2ccccc2)n[nH]1 72293588 HLHSZWDJZOBFLF-UHFFFAOYSA-N 306.369 2.771 0 40 DFAB CCOc1ncccc1NC(=O)Nc1cnn(CC(C)C)c1 72304792 UDRNXGOCJKMVMM-UHFFFAOYSA-N 303.366 2.977 0 40 DFAB C[C@H](CCO)NC(=O)Nc1ccc(Cl)c(Br)c1 88406011 HCUBVPUFHMOLLW-SSDOTTSWSA-N 321.602 2.995 0 40 DFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@H]1COC(=O)C1 95967241 FRJUHETZANOYDI-URZJAHPPSA-N 305.418 2.614 0 40 DFAB Cc1nonc1NS(=O)(=O)c1c(C)sc2ccccc12 95945407 QOCKXFONJMNINR-UHFFFAOYSA-N 309.372 2.702 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(=O)[nH]1 75122762 GVRYCMRVWYBSGR-CQSZACIVSA-N 302.761 2.754 0 40 DFAB CC(=O)c1ccc(N2C(=O)Nc3ccccc3S2(=O)=O)cc1 4483817 VTAQVSRPAMRXMY-UHFFFAOYSA-N 316.338 2.630 0 40 DFAB O=C1NCCCC[C@@H]1SCc1ccc(-n2cccn2)cc1 78555600 AEPFHRNMSDLUBI-HNNXBMFYSA-N 301.415 2.774 0 40 DFAB COc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2 36709862 WHIHEVKXNUKKDE-UHFFFAOYSA-N 323.352 2.877 0 40 DFAB COCc1nc(C(=O)N2c3ccccc3OC[C@@H]2C)cs1 72533373 FRUFIMSBMGTRRK-JTQLQIEISA-N 304.371 2.717 0 40 DFAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CCCC4)on1 32814255 GZQQNOSRHCBKLZ-UHFFFAOYSA-N 301.371 2.682 0 40 DFAB CC1(C)OB(c2ccc(C(=O)O)c(C(F)(F)F)c2)OC1(C)C 218022461 WGMLHOOENBAYCN-UHFFFAOYSA-N 316.084 2.703 0 40 DFAB O=C(O[C@@H]1CCS(=O)(=O)C1)C1CCC(c2ccccc2)CC1 76906946 RVSQJYISOVZRKN-UYSNPLJNSA-N 322.426 2.691 0 40 DFAB COC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F 74920828 SWJVULDCTJRUBV-NSHDSACASA-N 316.279 2.875 0 40 DFAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223470586 KKKOSAFEOFDUNI-KRWDZBQOSA-N 314.360 2.662 0 40 DFAB COCCNc1nc(C)c(C(=O)NCc2cccs2)s1 44920104 SQEANTLUBCXFLW-UHFFFAOYSA-N 311.432 2.501 0 40 DFAB CCOC(=O)c1cc(C)nn(Cc2c(F)cccc2Cl)c1=O 225962051 ALNRQULZFZWAPI-UHFFFAOYSA-N 324.739 2.569 0 40 DFAB O=S(=O)(c1ccc([C@H](O)C(F)(F)F)cc1)C(F)(F)F 226746216 KLQOZCYTJCQUNL-ZETCQYMHSA-N 308.199 2.576 0 40 DFAB C[C@@H]1OCCN(C(=O)c2ncoc2-c2ccc(F)cc2)[C@H]1C 97095898 KJHIIFBEZUGEPF-QWRGUYRKSA-N 304.321 2.730 0 40 DFAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 96039342 QGRVUJFTQLOBQC-ZBFHGGJFSA-N 309.431 2.796 0 40 DFAB O=C(c1cccs1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96220763 NIHRQJIQMMPGDK-AWEZNQCLSA-N 320.458 2.608 0 40 DFAB COC(=O)c1ccc2c(c1)CN(C1CCCCC1)C(=O)CO2 96530236 TYTQRIGRPYFSCE-UHFFFAOYSA-N 303.358 2.527 0 40 DFAB COc1ccc2c(c1)C1(CCN(CC3CC3)CC1)N(C)CC2 96100219 ZXKWEZYCJKDTEB-UHFFFAOYSA-N 300.446 2.884 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)N(C)Cc2cnn(C)c2)cc1 96419247 LEVWXPKOUBNZJA-LBPRGKRZSA-N 319.430 2.568 0 40 DFAB Cc1nc(CN(C)C(=O)Nc2cccc(N(C)C(C)C)c2)no1 96500676 DYNAEOQRIPEIIH-UHFFFAOYSA-N 317.393 2.887 0 40 DFAB Cc1cccc2nc(CSCc3nnnn3C(C)C)cn12 96501506 IBZRSEKOAIYGCK-UHFFFAOYSA-N 302.407 2.644 0 40 DFAB C[C@]12CCCN(C(=O)COc3ccccc3)[C@H]1CCCCN2 257247073 IXGYHVGGDOJMDQ-WMZOPIPTSA-N 302.418 2.589 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257310486 UFGUEATZLUZTHX-KRWDZBQOSA-N 321.384 2.947 0 40 DFAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC[C@@H](O)CC1 257276925 NVRYIEYVZSPTSB-GOSISDBHSA-N 310.397 2.659 0 40 DFAB CC[C@@](NC(=O)c1csnc1C)(C(=O)O)c1ccccc1 262828862 XFOFPSZOIDQYKL-HNNXBMFYSA-N 304.371 2.571 0 40 DFAB Cn1ccnc1[C@H](NCc1c(F)cccc1F)C(C)(C)CO 585142054 NVFIDPOKWMMTCO-AWEZNQCLSA-N 309.360 2.548 0 40 DFAB CCc1cccc(S(=O)(=O)N(C)c2ccccc2CO)c1 585140990 NGXVXPGOJMPQTJ-UHFFFAOYSA-N 305.399 2.566 0 40 DFAB O=S(=O)(c1ccc(F)cc1)N(Cc1cccnc1)C1CC1 37977349 RJONSDBHDUIPDJ-UHFFFAOYSA-N 306.362 2.574 0 40 DFAB CC(C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@]2(C)CO)c1 95975995 IFANSHIGMXWEHM-JKSUJKDBSA-N 311.447 2.639 0 40 DFAB CC1(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCCC1 108933024 NBECDIWDKWLHGD-AWEZNQCLSA-N 306.410 2.764 0 40 DFAB CCOc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1O 3212155 CQDFIJDPEVAZDP-RAXLEYEMSA-N 300.358 2.947 0 40 DFAB O=C(CSc1ncnc2sc3c(c12)CCC3)N1CCC1 31687331 ONSVQRPBMVJIIC-UHFFFAOYSA-N 305.428 2.504 0 40 DFAB CCc1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1 12188736 NQUOVQHVOIXKDJ-UHFFFAOYSA-N 311.429 2.831 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC(c2onc3c2CCCCC3)CC1 12219363 QGHMYLGLYZXHNL-INIZCTEOSA-N 318.417 2.829 0 40 DFAB CC[C@@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1 12239725 QXLALDRJHZKAJZ-INIZCTEOSA-N 304.409 2.848 0 40 DFAB CNC(=O)c1ccsc1NC(=O)Cc1ccc(OC)c(C)c1 13971830 CKGSQEIVDAUYRH-UHFFFAOYSA-N 318.398 2.606 0 40 DFAB Cc1cccnc1CN1CC[C@]2(CCc3ccccc3C(=O)N2)C1 19237789 MDCZXNLYEYZDSH-HXUWFJFHSA-N 321.424 2.711 0 40 DFAB O=C(Cn1ccnc1)Nc1nc(-c2ccccc2F)cs1 19368437 XJJOPEWRJWQVSA-UHFFFAOYSA-N 302.334 2.784 0 40 DFAB COc1ccnc(NCc2ccnc(OC3CCCC3)c2)n1 29625378 HIUSTSDGGHLFCZ-UHFFFAOYSA-N 300.362 2.814 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)c2ccc(OC)nc2)cc1 16229482 ICMVTRDUSCIBQP-UHFFFAOYSA-N 314.341 2.909 0 40 DFAB O=C(NCc1ccccc1)NCc1ccc(N2CCCC2=O)cc1 12918490 IOWFOSNXNRVEHK-UHFFFAOYSA-N 323.396 2.813 0 40 DFAB CCn1nccc1CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 253370396 QFTVYFGYGIYQGL-DFQSSKMNSA-N 324.472 2.903 0 40 DFAB COc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)cc1OC 12428211 DNAGZYFBNQKKLF-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB biogenic,in-vitro CCOc1nn(CC)cc1C(=O)Nc1ccc(N(C)C)cc1 8842379 HTUUYNQNNWQNQI-UHFFFAOYSA-N 302.378 2.620 0 40 DFAB Cc1nc2ccccc2n1CC(=O)N1CCc2sccc2C1 40034706 CNABCZYLIJBPDV-UHFFFAOYSA-N 311.410 2.991 0 40 DFAB COC(=O)[C@H](NC(=O)CCc1cccs1)c1ccccc1 50513124 RZPQRANYHKEYJN-OAHLLOKOSA-N 303.383 2.711 0 40 DFAB COc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=O)cc1 273894 AZSBEIIKVFCQMM-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB biogenic O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCSCC1 20739040 NBWQJTQYEHDJCJ-ZDUSSCGKSA-N 310.806 2.996 0 40 DFAB C[C@@H](O)CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102120526 SMADRDXMSDUIBI-SNVBAGLBSA-N 315.398 2.753 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 168998 VQEGHBUQNBKNNQ-ZDUSSCGKSA-N 303.745 2.910 0 40 DFAB Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O 267615 MJLSNPCPRHDBQJ-UHFFFAOYSA-N 316.158 2.540 0 40 DFAB CC(=O)N1[C@H](c2c(F)cccc2Cl)SC[C@H]1C(=O)O 376018 FEAMIVVUFFGQMB-ONGXEEELSA-N 303.742 2.526 0 40 DFAB O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCCCC1 61283573 MBVQOLJUQPLDRQ-UHFFFAOYSA-N 313.401 2.568 0 40 DFAB Cc1cc(C(F)F)nn1Cc1nc2c3ccccc3ncn2n1 2806302 WCVVHNPOBFODOF-UHFFFAOYSA-N 314.299 2.768 0 40 DFAB CCC(C)(C)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 1361467 DNNAQUOVSPCUMX-AWEZNQCLSA-N 304.438 2.615 0 40 DFAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1 1377955 BINQLUCYQMQNEI-HOTGVXAUSA-N 307.438 2.550 0 40 DFAB COC(=O)c1ccc(CSc2nncn2Cc2ccco2)o1 22379518 DDUCXVYWOWYXNE-UHFFFAOYSA-N 319.342 2.591 0 40 DFAB Cc1cc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)[nH]n1 78939150 OHLYIJPNNPGOEG-UHFFFAOYSA-N 314.389 2.585 0 40 DFAB c1cc(CN[C@@H]2CCN3CCCC[C@H]23)c2c(c1)OCCCO2 78974143 WLTKDZQSBBAROA-HZPDHXFCSA-N 302.418 2.564 0 40 DFAB CCN(CC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccccc1 79001251 IZKDTPFMRFGQDE-FUHWJXTLSA-N 304.434 2.570 0 40 DFAB COc1ccc(NC(=O)c2cc(-c3cccs3)nn2C)cn1 79486581 IBKZGJFLGZPNOI-UHFFFAOYSA-N 314.370 2.805 0 40 DFAB CC(C)C[C@@H](NC(=O)COc1cccc2ccccc12)C(=O)O 2679875 ICCAIQOHGSCWMD-OAHLLOKOSA-N 315.369 2.834 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc(Br)c1 4258626 UCSQPCJPUUPAPF-FQPOAREZSA-N 318.170 2.761 0 40 DFAB O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 6227509 VXKHXFLPCDOJNE-QGZVFWFLSA-N 308.381 2.610 0 40 DFAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(C)=O)cc1 6262334 JYZNBRPJAXALDY-SQNIBIBYSA-N 303.402 2.910 0 40 DFAB biogenic COc1cccc(N2C(=O)C[C@@H](Nc3cccc(C)c3)C2=O)c1 7212908 SEUKXVYFTYQUBZ-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB CCCCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 3151037 RKRXVNBDMMRYBJ-HNNXBMFYSA-N 305.374 2.945 0 40 DFAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1 8132207 RGRRNWSYPYKNAI-SNVBAGLBSA-N 319.386 2.677 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2CCSCC2)cc1 48019733 KRPINBDXDLYHJH-UHFFFAOYSA-N 308.403 2.834 0 40 DFAB NC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1Br 44541246 DWVDAMWPGAWABV-JTQLQIEISA-N 315.186 2.542 0 40 DFAB BrC1(Br)CC12C1[C@H]3C4C5[C@H]1[C@@H]5C2[C@@H]43 101037973 SAJYWOSOSGXRGO-PLWHFDMOSA-N 302.009 2.860 0 40 DFAB O=C1CCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2N1 44889429 BNBRMOGIAJYYLL-MRXNPFEDSA-N 322.364 2.825 0 40 DFAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCCO)(C4)C2)C3)cc1 100872873 VBSATAOIKOBEGS-MVYVIFSASA-N 313.441 2.942 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 70902690 MMZUNOHVVCHZAH-RBSFLKMASA-N 322.474 2.770 0 40 DFAB CCCNC(=O)NCCc1ccc(OC)c(OC(F)F)c1 62639845 NEYWBCGEYORPSA-UHFFFAOYSA-N 302.321 2.548 0 40 DFAB O=C(COc1ccc(-n2ccnc2)cc1)N1CCc2ccccc21 13129812 JQUOLNUTHCXKTM-UHFFFAOYSA-N 319.364 2.840 0 40 DFAB COc1ccc(OCC(=O)Nc2cnc(C(C)(C)C)nc2)cc1 63819504 YUJYPWMPSJPZNC-UHFFFAOYSA-N 315.373 2.800 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccsc2)c(OC)c1 9112743 JANHKLWANPQQRP-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB COC[C@H]1CCCN(CC2(CN3CCOCC3)CCCCC2)C1 93337747 XJEBYNIDXSTIDG-SFHVURJKSA-N 324.509 2.628 0 40 DFAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1 9235289 NMUXAIDBJLDWLH-UHFFFAOYSA-N 321.380 2.894 0 40 DFAB CCO[C@H](CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 65604533 KLXWVJOKVRASJS-OAHLLOKOSA-N 320.364 2.955 0 40 DFAB C[C@]12CCCc3c1n(c(=O)c1c(O)cc(=O)oc31)-c1ccccc12 6556278 JRPPGAOHJIQJOC-LJQANCHMSA-N 321.332 2.605 0 40 DFAB COc1cccc(CNC(=O)COC(=O)c2sccc2C)c1 5967298 LXXFYNIVAGVBQH-UHFFFAOYSA-N 319.382 2.538 0 40 DFAB CC(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306143566 YFQFGENXWRKAGH-INIZCTEOSA-N 321.384 2.517 0 40 DFAB CCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1 7437462 PTZSFCWSXVWFOP-UHFFFAOYSA-N 317.433 2.667 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cn1 16224466 RTAAMINSRLXXFY-UHFFFAOYSA-N 314.341 2.908 0 40 DFAB COc1ccnc(NNC(=O)c2occc2-c2ccccc2)n1 83984396 GSRHXWPXWZMLQR-UHFFFAOYSA-N 310.313 2.502 0 40 DFAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1O 69631754 AINWBIDVLXGJIA-GFCCVEGCSA-N 322.430 2.668 0 40 DFAB CCCc1noc2ncc(C(=O)N3CCO[C@@H]4CCC[C@H]43)cc12 71827086 WKFSDNMHPBOSJO-HUUCEWRRSA-N 315.373 2.569 0 40 DFAB Cc1ccc(NC(=O)c2nn(C)c3ccccc3c2=O)cc1F 69736925 ONAHKARMMBZGPX-UHFFFAOYSA-N 311.316 2.633 0 40 DFAB Cc1ccn2cc(C(=O)N3CCC[C@H](n4ccnc4C)C3)nc2c1 69875980 VKUNFCWBSKWUAN-HNNXBMFYSA-N 323.400 2.625 0 40 DFAB CCOC(=O)Nc1ccc(OCC(=O)Nc2cc(C)on2)cc1 69894144 WQXLVHDGMVBWCL-UHFFFAOYSA-N 319.317 2.569 0 40 DFAB CN(CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)c1ccco1 83857538 LHTYHTYJHHHHBJ-RRFJBIMHSA-N 318.417 2.827 0 40 DFAB COC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1F 97084028 GDYDVXQMAFGHQU-UHFFFAOYSA-N 306.341 2.966 0 40 DFAB CN(Cc1ccsc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 97011553 ZVWCRNFDKPIJCZ-HNNXBMFYSA-N 314.410 2.508 0 40 DFAB Cc1ccc(CNC(=O)NCCOc2ccc(F)c(F)c2)cn1 72270097 SADGVFNJOQZQHD-UHFFFAOYSA-N 321.327 2.546 0 40 DFAB CC[S@](=O)CCNC(=O)CCc1cccc(Cl)c1Cl 72284328 RHDASQBDZDIWRC-LJQANCHMSA-N 322.257 2.811 0 40 DFAB O=C(CN1CCCNC1=O)Nc1cccc(Nc2ccccc2)c1 72284802 OVUBWZPQDXFCRR-UHFFFAOYSA-N 324.384 2.784 0 40 DFAB COC[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccco1 97110654 AHSXKDNTUGKGIY-OAHLLOKOSA-N 314.385 2.536 0 40 DFAB Cn1nccc1CCNC(=O)Nc1ccccc1-c1ccncc1 97140914 UYGCBWTZCJRDRW-UHFFFAOYSA-N 321.384 2.846 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CCO1 95455602 XJGVYOMYQOXCFH-FOGDFJRCSA-N 315.772 2.930 0 40 DFAB Cc1ccc(C)n1-c1sccc1C(=O)NC[C@@H](C)[S@@](C)=O 95973812 KHONEKQGMBGUGD-GTJPDFRWSA-N 324.471 2.652 0 40 DFAB Cc1noc(C2CCN(C(=O)CC(C3CC3)C3CC3)CC2)n1 95955642 OQKNCDLQGGWECN-UHFFFAOYSA-N 303.406 2.910 0 40 DFAB Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccn[nH]4)n3)c2)n1 89594258 ZWLVHAUQUQONAL-UHFFFAOYSA-N 320.356 2.988 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)N2CC[C@]3(CCOC3)C2)cc1 89640933 CKWNAXJEFHSKOC-SFHVURJKSA-N 312.369 2.903 0 40 DFAB O=C(O)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CC1 89813407 GUNWUISQKPCHQG-OLZOCXBDSA-N 307.777 2.909 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2[nH]ncc2c1 89919967 HSQBOIXLBBNIBR-MGPLVRAMSA-N 309.325 2.730 0 40 DFAB CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC 409047795 UWJSBUZFIYKFHR-XFXZXTDPSA-N 320.414 2.514 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 3850094 JVEWXTLFKFWQPU-MJSJFWEFSA-N 306.446 2.930 0 40 DFAB biogenic C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 79335606 QMAYGGYBOVRNAS-SECBINFHSA-N 303.284 2.896 0 40 DFAB c1cncc(-c2nc3c4ccccc4nc(NC4CC4)n3n2)c1 6805442 JLYMCIGFWUOAAB-UHFFFAOYSA-N 302.341 2.914 0 40 DFAB CS(=O)(=O)c1ccc(-c2noc(CCc3ccco3)n2)cc1 78774897 PFOBPPJZLALPAO-UHFFFAOYSA-N 318.354 2.518 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)oc12 73901021 NWNXPRFWVMALTN-UHFFFAOYSA-N 310.309 2.793 0 40 DFAB COCCn1ccc2c(NC(=O)c3snnc3C)cccc21 72401270 OHAUZXHAYLGYSF-UHFFFAOYSA-N 316.386 2.700 0 40 DFAB C[C@@H](NC[C@@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2 185778721 LVURZCHBZZCZNA-UXJMZZSFSA-N 307.478 2.970 0 40 DFAB Cc1ccnc([C@]2(C)CCCN2C(=O)COc2ccccc2)n1 72388541 NGOVVKRETNJFTD-SFHVURJKSA-N 311.385 2.702 0 40 DFAB C[C@@H]1CCN(CC(=O)N(Cc2cccnc2)Cc2ccco2)C1 563388714 ZGSVBMVZORZEAN-OAHLLOKOSA-N 313.401 2.545 0 40 DFAB CN(Cc1ccc(F)c(F)c1)[C@H]1CCN(CC(F)(F)F)C1=O 78921908 PBIMAQRQQUIDBO-LBPRGKRZSA-N 322.277 2.560 0 40 DFAB COCCC1(NC(=S)Nc2ncccc2OC)CCCC1 225875454 ORBVIFSLIWBXDO-UHFFFAOYSA-N 309.435 2.726 0 40 DFAB CCOCCOc1ccc(NC(=O)C2(OCC)CCCC2)cn1 225898426 RNQOKXLAOODHSR-UHFFFAOYSA-N 322.405 2.785 0 40 DFAB CC1=CCC[C@H](C)[C@H]1CN1CCC(C(=O)N2CCOCC2)CC1 195575764 CYWPNVHLTHTULL-WMZOPIPTSA-N 320.477 2.550 0 40 DFAB COc1cc(C(=O)NCC2=CCCCC2)cc(OC)c1OC 223434754 RJTXGVHZOPKIBD-UHFFFAOYSA-N 305.374 2.943 0 40 DFAB CC(=O)c1cn(CCC(=O)Nc2nncs2)c2ccccc12 40267540 NTBYMMRYYPLWIA-UHFFFAOYSA-N 314.370 2.724 0 40 DFAB Cc1cccc([C@H]2CCCCN2C(=O)CSCC(N)=O)c1C 81323228 WOBFXURKHYHRBG-OAHLLOKOSA-N 320.458 2.576 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 329021847 MITOMNZDHJCDRM-AWEZNQCLSA-N 311.389 2.671 0 40 DFAB CC(C)Oc1ccc(-c2csc(NS(C)(=O)=O)n2)cc1 130010729 BBYCOEPJPWSBBN-UHFFFAOYSA-N 312.416 2.969 0 40 DFAB Cn1cc(Nc2cccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2)cn1 89756566 CHWHHIKRNBAYAW-OAGGEKHMSA-N 312.373 2.670 0 40 DFAB CCOCc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 81638144 MFPSNSLCSCYGRS-GOEBONIOSA-N 306.406 2.896 0 40 DFAB C[C@H]1c2ccccc2CCN1C(=O)Nc1cncnc1N(C)C 97238739 RLHPZEFFBVUCDB-LBPRGKRZSA-N 311.389 2.694 0 40 DFAB C[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccn1 97096215 VWUYCSNQHYPOCQ-LBPRGKRZSA-N 322.372 2.760 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3cccs3)n2)cc1OC 95533871 QPZJVQAXMXDGRF-CYBMUJFWSA-N 316.386 2.599 0 40 DFAB Cc1cccc(N2C[C@@]3(CCN(C(=O)C(C)C)C3)CC2=O)c1 96077410 YZPXPPYLYXATII-SFHVURJKSA-N 300.402 2.606 0 40 DFAB O=C1NCC[C@]12CN(Cc1ccsc1)C[C@H]2c1ccccc1 96201810 JRXBWVLEQZPIPK-FUHWJXTLSA-N 312.438 2.854 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 96426292 PZJKDLHBOQQTMX-QZTJIDSGSA-N 318.380 2.862 0 40 DFAB CCc1onc(C)c1C(=O)NC[C@@H](O)c1ccccc1Cl 97097794 SLHVAFYXDKTBFZ-GFCCVEGCSA-N 308.765 2.662 0 40 DFAB c1csc(CN2CCc3ncnc(-c4ccoc4)c3CC2)n1 96255154 GIMKCWUDADXUGL-UHFFFAOYSA-N 312.398 2.794 0 40 DFAB O=C(NCCO)c1cccc(NC2CC(c3ccccc3)C2)c1 97371360 HKOFBRGWIDKTEO-UHFFFAOYSA-N 310.397 2.767 0 40 DFAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1c[nH]cn1 96423825 CAWNYWNBEDARDQ-UHFFFAOYSA-N 324.384 2.565 0 40 DFAB CN(Cc1cnc(Cl)s1)S(=O)(=O)Cc1ccccc1 95444804 BJZFWNOBCYHKAO-UHFFFAOYSA-N 316.835 2.758 0 40 DFAB O=C([C@@H](O)Cc1ccccc1)N1CCCC[C@@H]1c1nccs1 331723799 LHSJYHSEGXZSTR-CABCVRRESA-N 316.426 2.800 0 40 DFAB CC[C@@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1F 95433322 MDJNAKSCZGBAON-HZPDHXFCSA-N 323.389 2.616 0 40 DFAB CN(CCc1ccccn1)S(=O)(=O)c1cc2ccccc2o1 96461075 HNGBSGYPFHOPLK-UHFFFAOYSA-N 316.382 2.691 0 40 DFAB O=C(NCC1(c2ccc(F)cc2)CC1)N1CC[C@@]2(CCOC2)C1 96461947 LPXATHBMMKKDBL-QGZVFWFLSA-N 318.392 2.679 0 40 DFAB C[C@@H]1CN(S(=O)(=O)C2CCOCC2)CC[C@@H]1c1ccccc1 96428476 LYOXEJFONZKWDK-PBHICJAKSA-N 323.458 2.621 0 40 DFAB Cc1ccc(C[C@H](C)NC(=O)CNC(=O)CCC(C)C)s1 96414572 DPWXMKMIDMPAQS-LBPRGKRZSA-N 310.463 2.656 0 40 DFAB CCOC(=O)Cc1cccc(NC(=O)c2ccsc2)c1O 252491820 LVHPGZXAZJDLAV-UHFFFAOYSA-N 305.355 2.812 0 40 DFAB Cc1nc[nH]c1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C 257223737 DYQIOAMCEHZGSF-ZHALLVOQSA-N 310.445 2.638 0 40 DFAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H]1c1ccnc(O)n1 257233345 GOWYIPFMVDZIOK-MRXNPFEDSA-N 320.352 2.708 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(Cc3cccc(C(=O)O)c3)C2)n1 257277394 NXUHYGMOUWCZDJ-INIZCTEOSA-N 311.385 2.781 0 40 DFAB COCC[C@H](NC(=O)NC1Cc2ccccc2C1)c1ccco1 273939775 JZBIWEPBONONGT-INIZCTEOSA-N 314.385 2.824 0 40 DFAB CCN(C)c1ccccc1NC(=O)CCOC[C@@H]1CCCO1 69738890 QFKHOVDHEJBTGS-AWEZNQCLSA-N 306.406 2.667 0 40 DFAB CS[C@@H](C)C(=O)Nc1cccc(I)c1 31675949 IMRWGBOORZXTEM-ZETCQYMHSA-N 321.183 2.981 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1 32725806 IECRBFOQMZQUKG-CJNGLKHVSA-N 311.385 2.865 0 40 DFAB Cc1cnc2[nH]c(C(F)(F)F)c(CN3CCN(C)CC3)c2c1 72395393 LMXXXINDHGELCL-UHFFFAOYSA-N 312.339 2.638 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@H](C)c1cccs1 44179745 HLDBXRDIWBSFGB-LLVKDONJSA-N 317.414 2.919 0 40 DFAB CCOC(=O)[C@@H](OC(=O)Cc1cccc(C)c1)c1cccnc1 84791208 KDKJMFGLOLLYIC-KRWDZBQOSA-N 313.353 2.780 0 40 DFAB CCC1(O)CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)CC1 81463835 GJKYTGAWKOXHMF-UHFFFAOYSA-N 306.387 2.867 0 40 DFAB NCc1ccc(C(F)(F)F)c(I)c1 169798175 XTGUITUXDBOFLZ-UHFFFAOYSA-N 301.049 2.769 0 40 DFAB O=C([C@H]1CCCO1)N1CCC(c2ccc3cccnc3n2)CC1 655265183 JMMMJYJFPAEJGH-MRXNPFEDSA-N 311.385 2.515 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC(c2ccc3cccnc3n2)CC1 655265182 JMMMJYJFPAEJGH-INIZCTEOSA-N 311.385 2.515 0 40 DFAB CC(C)=CC/C=C1/CC[C@H](C(=O)O)[C@H](C(=O)OCCN(C)C)C1 4025958 MLVLRGDKFVUVPM-USCQQBMNSA-N 323.433 2.875 0 40 DFAB biogenic CC(=O)c1cccc(NC(=O)COC(=O)Cc2cccs2)c1 5786718 JMXJNJKAAMYYOC-UHFFFAOYSA-N 317.366 2.675 0 40 DFAB CCCc1cc(=O)[nH]c(Nc2ccc(C(=O)OCC)cc2)n1 5625385 CHKKXLDDWWDOPZ-UHFFFAOYSA-N 301.346 2.643 0 40 DFAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)n(C(C)C)n1 11695176 TXQHBJMAXCJBMQ-UHFFFAOYSA-N 301.346 2.796 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2cccc(F)c2)CC1 13265881 GHRJTYHAFJHTQQ-UHFFFAOYSA-N 304.340 2.843 0 40 DFAB COc1ccc(C(=O)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 14504521 PCUOEOPTDCUNQQ-PXAZEXFGSA-N 316.353 2.983 0 40 DFAB endogenous,in-man CC(=O)Nc1cccc(C(=O)NCC2(c3ccccn3)CCC2)c1 569207700 ZTJPJBKIXOLSCE-UHFFFAOYSA-N 323.396 2.892 0 40 DFAB Cc1ccccc1NC(=O)NCC1CCN([C@H]2CCOC2)CC1 575415728 YSTSQYPLXJCIHA-INIZCTEOSA-N 317.433 2.617 0 40 DFAB O=C(NCCc1ccccc1)c1ccc2nc(C3CC3)cn2n1 1888909465 XPXAGIDGZNKLAR-UHFFFAOYSA-N 306.369 2.579 0 40 DFAB CCc1ccccc1NC(=O)c1cnc2sc(C)cn2c1=O 4505728 HAKAAKIVTJFRQL-UHFFFAOYSA-N 313.382 2.879 0 40 DFAB CN(C)c1c(Cl)cccc1NC(=O)NC[C@H]1CCC[C@H]1O 96434073 CWJHMCZBTDBRBI-ZWNOBZJWSA-N 311.813 2.689 0 40 DFAB Cn1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1=O 30662645 WSELKARCWYHGPZ-UHFFFAOYSA-N 311.385 2.628 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c[nH]1 40488922 SPOPGADKMNULPH-VIFPVBQESA-N 316.386 2.532 0 40 DFAB Cc1cnc(NC(=O)/C=C/c2cnn(-c3ccccc3)n2)s1 31684446 SGZPLUVCQDVIOC-BQYQJAHWSA-N 311.370 2.684 0 40 DFAB CC[C@@H](Cn1ccnc1)n1cnc2cccc(Cl)c2c1=O 32580889 JVVQBZPEOMOJDJ-NSHDSACASA-N 302.765 2.898 0 40 DFAB COc1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 351295 WJILPUGSOWOJNW-AWEZNQCLSA-N 313.353 2.967 0 40 DFAB Cc1nc(CCNC(=O)c2ccc(OC(C)C)nc2)cs1 33243260 BBIFQDZWQGMEHW-UHFFFAOYSA-N 305.403 2.606 0 40 DFAB C[C@@H](NC(=O)c1coc(=O)c(Br)c1)c1ccccc1 521501 SOTZBYLFBOYDGJ-SECBINFHSA-N 322.158 2.893 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2ccccc2C1=O 534403 NNWUCJXARJEGFA-UHFFFAOYSA-N 318.332 2.955 0 40 DFAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 22193266 WIYAQHGVHKRJAU-KRWDZBQOSA-N 322.364 2.521 0 40 DFAB CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)O)c(=O)c23)C1 148095 BISXSZNFOCRIMD-SECBINFHSA-N 320.414 2.694 0 40 DFAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 331010 ICSXAMDMZIUDCV-CQSZACIVSA-N 324.258 2.781 0 40 DFAB Cc1occc1CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 78868971 VRAXPIOBJVZUJL-KGLIPLIRSA-N 322.405 2.898 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc(F)c1 3434951 NFWJQIXGGQLEBN-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@H]1COc2ccccc2O1 3565434 PDSJPVRHJLJBAL-OAHLLOKOSA-N 303.745 2.796 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc2c1C 42733682 UWMWUIWTMXKVDR-IINYFYTJSA-N 313.401 2.511 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10338918 AMPQTUIVQGMSJS-UHFFFAOYSA-N 323.396 2.634 0 40 DFAB Cc1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 10367268 HGYDMJAFHMSAAA-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)n1 24756072 APWVVIWAWOMRRS-IDVQTMNDSA-N 315.398 2.608 0 40 DFAB CN(C)C(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391129 HKJMXADFNRFXOF-UHFFFAOYSA-N 324.302 2.617 0 40 DFAB Cc1cc(C)n(-c2ccc(N3CC[C@@H](c4ccco4)C3)nn2)n1 95399230 SDYAIQOYCHNAJT-CQSZACIVSA-N 309.373 2.866 0 40 DFAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1ccccc1Cl 55778583 GYVPMAYBISHFGS-CYBMUJFWSA-N 324.833 2.536 0 40 DFAB COc1ccccc1CCNC(=O)CCOc1ccc(F)cc1 24669142 RDGZWBKNTHBBLW-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB Cc1noc([C@H](C)SCc2cc(=O)n3c(C)cccc3n2)n1 56228667 CDAHZMGWGIECII-JTQLQIEISA-N 316.386 2.689 0 40 DFAB Cc1occc1C(=O)N1CCN(Cc2cccc(F)c2F)CC1 56513387 BHPLHHFUZMESKV-UHFFFAOYSA-N 320.339 2.824 0 40 DFAB Cc1ccccc1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 108525825 QHPZQWJIZGAZJA-UHFFFAOYSA-N 322.412 2.892 0 40 DFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]1c1ccsc1 48263038 OMTQIKRBXBKIPP-RISCZKNCSA-N 318.398 2.823 0 40 DFAB Cc1nn(C)cc1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 84044542 LLPTYMWIIHEKJO-UHFFFAOYSA-N 302.334 2.880 0 40 DFAB O=C(NCc1ccco1)C1CCN(c2ccncc2Cl)CC1 95408570 HDMKXYMKAKOOKQ-UHFFFAOYSA-N 319.792 2.861 0 40 DFAB COc1ccc(-c2cc(C(=O)N(C)[C@H](C)CSC)[nH]n2)cc1 95421542 IYBRSULZEFDZBO-LLVKDONJSA-N 319.430 2.909 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccccc1F 57355249 NSYWFHDRQCDFLI-YOEHRIQHSA-N 318.392 2.748 0 40 DFAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccccc1Cl 44950040 SKFCOFXIEQMPHR-SNVBAGLBSA-N 307.785 2.512 0 40 DFAB CC[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3339022 ZPKLNXLIQKIKSP-VIFPVBQESA-N 324.730 2.658 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C)N2CCCC2)cc1 36264405 LKSWKIDHUNZFDW-XYPHTWIQSA-N 302.418 2.604 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCO1 11496414 BCGKFGYTULARSE-ZDUSSCGKSA-N 311.385 2.611 0 40 DFAB O=C(/C=C/c1cccnc1)NCCCN1CCc2ccccc21 29523482 PSUMVTJBHLICQS-CMDGGOBGSA-N 307.397 2.664 0 40 DFAB COc1ccc(CCN(C)C[C@@H](O)c2ccccc2)cc1OC 2638970 CRRAPHVQWSGGJX-QGZVFWFLSA-N 315.413 2.912 0 40 DFAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1 2636563 WFXAEORENVSJMQ-SECBINFHSA-N 320.732 2.625 0 40 DFAB C[C@H](NC(=O)Cc1cccc(F)c1)c1nnc2n1CCCCC2 29900395 RYEQTTCRYGCLIQ-LBPRGKRZSA-N 316.380 2.564 0 40 DFAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cscn1 95425803 TYIABQIWEDMZFP-XHDPSFHLSA-N 301.415 2.918 0 40 DFAB C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H](CO)c1ccccc1 95422568 IMJKTMZPCYDFSO-CXAGYDPISA-N 316.376 2.866 0 40 DFAB O=C(NC[C@@H]1OCCc2sccc21)N1C[C@H]2CCC[C@@H]2C1 95410605 YEFSOWQYBYMXSW-BZPMIXESSA-N 306.431 2.803 0 40 DFAB Cc1cc(Br)ccc1NC(=O)COC(=O)C1CC1 6058487 CBDNZDFURQUDCP-UHFFFAOYSA-N 312.163 2.649 0 40 DFAB COc1c(C)cccc1C(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20143043 KNZRPHZSIDLPGC-UHFFFAOYSA-N 315.325 2.968 0 40 DFAB O=C(CN1C(=O)CSC1=O)Nc1ccc(Cl)c(Cl)c1 4498569 HALDZPKCNIIQSC-UHFFFAOYSA-N 319.169 2.627 0 40 DFAB CCO[C@H](C)c1nc(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cs1 110648963 BVUOCIIAVQVLJN-DIAXPKBXSA-N 308.447 2.850 0 40 DFAB COc1ccc(NC(=O)NCCC(=O)NC2CCCCC2)cc1 14104300 VRLUJODEXGHVMZ-UHFFFAOYSA-N 319.405 2.656 0 40 DFAB CCc1sc(C(=O)NCc2nnc3ccccn23)cc1C 14170700 RGNUKODGPOJXHY-UHFFFAOYSA-N 300.387 2.592 0 40 DFAB CC(=O)N1CCCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 65608867 KCUHVXBZEDXPBH-HOCLYGCPSA-N 308.466 2.920 0 40 DFAB CC1([C@@H]2CCCN(C(=O)NCC3(C4CC4)CCC3)C2)OCCO1 96010067 WRIBTFAZSLWLPW-OAHLLOKOSA-N 322.449 2.751 0 40 DFAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2nc(C)cs2)c1 72240528 RJDSGXFIUHWNEU-CYBMUJFWSA-N 304.419 2.710 0 40 DFAB CC(C)Cn1cncc1CNC1CCC2(CCNCC2)CC1 67981836 GUQOFULRVNFWMT-UHFFFAOYSA-N 304.482 2.941 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 68593293 FPUNJBIWQDUYRP-ZYHUDNBSSA-N 301.264 2.700 0 40 DFAB in-vitro CC1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 7814287 CZSCWVXKSDAWJU-UHFFFAOYSA-N 314.385 2.649 0 40 DFAB COc1ccc(NC(=O)COc2cccc3cccnc23)cn1 7983196 SLVSVOSNUQSORH-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB O=C(NCc1ccc(Cl)s1)c1ccc(N2CCCC2)nn1 69376060 UOBSNFSQFLRPRY-UHFFFAOYSA-N 322.821 2.722 0 40 DFAB CC(C)Cn1nccc1NC(=O)c1cc(=O)c2ccccc2o1 69349112 SSQKOJJTXANGDK-UHFFFAOYSA-N 311.341 2.898 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)C1(c3ccccc3)CCC1)C2 97198529 CMVPYUOWOPRAEJ-INIZCTEOSA-N 309.413 2.744 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)CC2CCCCC2)C1 69530372 JVRUGWGHDYATCY-MRXNPFEDSA-N 308.466 2.968 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1nccs1 69585303 WAKUEQAGQKTVPU-MRVPVSSYSA-N 319.411 2.678 0 40 DFAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3occc3C)cc2)n1 69743182 MFMVDWJMCKCVGF-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB CC(C)c1nc2n(n1)C[C@@H](Nc1ncnc3ccccc13)CC2 69898187 BFLYAPMWOMPFDP-LBPRGKRZSA-N 308.389 2.772 0 40 DFAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCCc2cccc(F)c21 69893034 SLNGGIWPIYJUBM-TZMCWYRMSA-N 307.365 2.689 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CCC(c3nc(C)no3)CC2)c1 97142920 MAXLENRUEDRNGK-UHFFFAOYSA-N 315.377 2.801 0 40 DFAB CCn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1 97143257 QDSKQKLRRCYGIG-UHFFFAOYSA-N 311.292 2.586 0 40 DFAB Cc1ccc(N2CCC[C@@H](N3CCC(N(C)C)CC3)C2=O)cc1 95404834 BITKXFJRSPHPIM-GOSISDBHSA-N 315.461 2.516 0 40 DFAB Cc1ccnc2nc(-c3nc(-c4cc5ccccc5o4)no3)nn12 88339906 UCQDDDRUKLAAHF-UHFFFAOYSA-N 318.296 2.896 0 40 DFAB Cc1nc(-c2cccc(NC(=O)Cc3ccc(C)c(O)c3)c2)n[nH]1 89437267 RIQMZDYXCPZWFN-UHFFFAOYSA-N 322.368 2.975 0 40 DFAB CC(C)(C)S(=O)(=O)CCN[C@H]1CCCc2sccc21 89628330 ZGWKUMLOELCIRD-LBPRGKRZSA-N 301.477 2.928 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)NCCC(=O)N1CCCCCC1 89941878 FCBKEQPEYSSEOX-INIZCTEOSA-N 324.465 2.633 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)N[C@H](CCO)C3CC3)c2)o1 76021534 ONDPWQOAJRNKCD-OAHLLOKOSA-N 315.373 2.933 0 40 DFAB O=C(NCCc1ccccc1)c1ccn(-c2ccc(F)cc2)n1 31553411 OGSCULTULMNSET-UHFFFAOYSA-N 309.344 2.984 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 74946462 CNRLHCWEASQPOD-UHFFFAOYSA-N 315.413 2.981 0 40 DFAB COc1ccc(C(=O)NC[C@](C)(O)CCc2ccccc2)cc1 62021423 TZATWJHROCSENU-LJQANCHMSA-N 313.397 2.809 0 40 DFAB CCOC(=O)c1ccc(Cn2ccc3sccc3c2=O)o1 182913906 YRVJBQHPZAUBMD-UHFFFAOYSA-N 303.339 2.881 0 40 DFAB COc1ccc2[nH]cc(C(=O)NCc3cccs3)c(=O)c2c1 35289326 IJYZTJPQAJZEFM-UHFFFAOYSA-N 314.366 2.528 0 40 DFAB CCN1CCN(c2cc(C)c([C@@H](O)c3ccccc3)cn2)CC1 72223632 KGENZFUHAURVGZ-IBGZPJMESA-N 311.429 2.614 0 40 DFAB CCc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218520770 JFKFYIUGODNXAZ-RCCFBDPRSA-N 315.438 2.824 0 40 DFAB Cc1ccc(-c2nnc(N3CC[C@@H](OC(C)C)C3)n2C)s1 568883247 UPTRAAXYLZUUKP-GFCCVEGCSA-N 306.435 2.856 0 40 DFAB CNc1nc(N(C)[C@@H](C)c2ccccn2)ncc1Br 131970281 NRPXAKORANOWIV-VIFPVBQESA-N 322.210 2.873 0 40 DFAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C)cc1 42646217 GEERQWNPDWLFHA-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C 225665514 WGTIUKDZVCTCLQ-AWEZNQCLSA-N 320.433 2.737 0 40 DFAB Cc1cccc(C)c1C(=O)NCCOc1ccc(C(=O)O)cc1 570647270 GZPWTUBIVNHIGV-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB CSCC[C@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 75157488 IORVOTCRJVGFLD-ZDUSSCGKSA-N 321.364 2.939 0 40 DFAB Cn1c(CCNC(=O)Nc2nccs2)nc2ccc(F)cc21 80767861 UPHFFYVLNMRTNL-UHFFFAOYSA-N 319.365 2.533 0 40 DFAB O=C(O)[C@H](c1ccc(F)cc1)N1CC[C@@H](C2CCOCC2)C1 576950107 DBRCEUCPQLIPLC-ZBFHGGJFSA-N 307.365 2.700 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 221251412 NUFHKZGSNPPTQP-NWDGAFQWSA-N 312.410 2.863 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2n[nH]c3ccccc23)CC1 40434578 WEOVGDITYLKKSN-UHFFFAOYSA-N 302.378 2.620 0 40 DFAB O=C(Nc1cnc(Br)cn1)OCc1ccccc1 89224411 FIPASGABSJVBBJ-UHFFFAOYSA-N 308.135 2.988 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccnc2)c2ccccc2S1 191045315 XHHNWXVCDHFEQE-NSHDSACASA-N 306.412 2.771 0 40 DFAB Cc1ccc2c(c1)OCCN2C(=O)Cc1cn2ccsc2n1 96423483 HSMBZZWFUWRZHW-UHFFFAOYSA-N 313.382 2.672 0 40 DFAB Nc1nccnc1C(=O)N(Cc1ccoc1)C1CCCCC1 96423841 ACVFLPVUDGVSNH-UHFFFAOYSA-N 300.362 2.627 0 40 DFAB Cc1cccc(N2CCC(C(=O)Nc3ncccc3C)CC2)n1 97096699 HJSQXWBLYIYJSD-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB c1cn([C@@H]2CO[C@@]3(CCCN(Cc4ccsc4)C3)C2)cn1 96048550 HSTSFANUTXQSLQ-HOTGVXAUSA-N 303.431 2.941 0 40 DFAB C[C@H]1CCCN1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 330156053 YQWMUPGUSBENQG-LBPRGKRZSA-N 322.430 2.810 0 40 DFAB CCc1ccc(CC)c(NC(=O)NC[C@@]2(O)CCSC2)c1 96447202 IOLYRHRUSKTWKW-INIZCTEOSA-N 308.447 2.801 0 40 DFAB NC(=O)COc1ccc(OCc2cccc3cccnc23)cc1 96417379 QXQAYXHGBJUUNO-UHFFFAOYSA-N 308.337 2.678 0 40 DFAB Cc1ccc2c(n1)N(C)CCN(C(=O)Cc1cccc(F)c1)C2 96260860 GLOIPTKFSWGSOW-UHFFFAOYSA-N 313.376 2.550 0 40 DFAB Cc1ccc(C(N)=O)cc1NCc1nnc(-c2ccccc2)n1C 90371472 HIDCEVXEXLYWRH-UHFFFAOYSA-N 321.384 2.502 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccn1)[C@@H]2C 96201210 ZMYVKUTZXCRFQN-OAHLLOKOSA-N 313.449 2.695 0 40 DFAB Cc1occc1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96425143 NMCXSMRUYVKVFK-CABCVRRESA-N 313.353 2.779 0 40 DFAB O=C(c1ccsc1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053693 HUOKPCZNEGFMPV-AAEUAGOBSA-N 318.423 2.545 0 40 DFAB C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O 96447090 QKPDKYALGOPUSM-RYUDHWBXSA-N 303.855 2.808 0 40 DFAB CC1CCN(c2nn(-c3cccc(Cl)c3)nc2C(=O)O)CC1 256048665 VHNVDVSAWSGJTI-UHFFFAOYSA-N 320.780 2.855 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccnc3ccccc23)n1 257291584 QHQAORSEDOBFSU-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB O=C(c1cscn1)N1CCCC[C@@H]1c1ccn2nccc2n1 257339656 ZCQUZVWOWSNAEP-CYBMUJFWSA-N 313.386 2.553 0 40 DFAB CC(C)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCCN2)o1 257342778 ZQDHBRSPCIWMPF-OLZOCXBDSA-N 306.410 2.594 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)N1CCC(c2cc[nH]n2)CC1 606624782 FIVBLKPRPQXLOJ-ZDUSSCGKSA-N 316.405 2.913 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 252587656 ZQWGEAOKMLJDGR-ZCDTZLGTSA-N 321.442 2.648 0 40 DFAB CC1CCN(c2nn(-c3ccccc3Cl)nc2C(=O)O)CC1 256046718 HQKVCLMGOAMZBS-UHFFFAOYSA-N 320.780 2.855 0 40 DFAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cncn2)cc1 26089194 MMDBTGYGYYCSDZ-UHFFFAOYSA-N 313.748 2.627 0 40 DFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccoc1 90607411 OPYYGZAOHLJVMI-UHFFFAOYSA-N 313.332 2.792 0 40 DFAB CCN(Cc1ccc(OC)cc1)C(=O)Cc1c(C)noc1C 45398148 SVIAYVIUTHVZSR-UHFFFAOYSA-N 302.374 2.891 0 40 DFAB COc1cccc(C(=O)Nc2cc(OC)ccc2NC(C)=O)c1 56179667 WEXZZQINUYBTEY-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C 84670915 RHWYIVJBFBUZQB-HOTGVXAUSA-N 314.429 2.982 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2nc(C)cs2)C12CCC2 84800769 UYUCKCYYKZBCAN-OLZOCXBDSA-N 323.462 2.941 0 40 DFAB O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 96480467 UDFYSCVLZIFRAM-HZPDHXFCSA-N 313.328 2.944 0 40 DFAB Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1C1CCCCC1 8078403 WRSZHYMPAJLUOJ-ZROIWOOFSA-N 303.431 2.955 0 40 DFAB COc1cc2c(cc1/C=C1/C(=O)N(C)c3ccccc31)OCO2 8091815 REKREWTYWNELGU-NTUHNPAUSA-N 309.321 2.941 0 40 DFAB CCc1ccccc1NC(=O)C(=O)NCCCc1ccccc1 5251234 MLDFFAXJQOYHND-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB OC[C@@H]1O[C@H]2c3ccccc3CO[C@@H]2[C@@H]1OCc1ccccc1 5882394 YIRCGTPRDKWRHB-OKYOBFRVSA-N 312.365 2.603 0 40 DFAB CN(CCN1CCCCC1)C(=O)Cc1ccc2c(c1)CCC2 12360967 WQNGWZBFALEBIE-UHFFFAOYSA-N 300.446 2.662 0 40 DFAB O=C(NCCc1cccs1)N1CCN(c2ccccc2)CC1 12534672 STYUQKROCIGETO-UHFFFAOYSA-N 315.442 2.822 0 40 DFAB CC(C)c1ccc(/C=C/C(=O)NCCCN2CCOCC2)cc1 19626349 CPWARMRFKMFKIQ-RMKNXTFCSA-N 316.445 2.662 0 40 DFAB O[C@H](c1cccnc1)c1ccccc1N1CCN(CC2CC2)CC1 12089564 IDKWUSOKWVYKBH-HXUWFJFHSA-N 323.440 2.695 0 40 DFAB COc1ccc(COC(=O)[C@@H]2COc3ccccc3O2)cc1F 2655214 LUCGNEDTLYFWSV-INIZCTEOSA-N 318.300 2.718 0 40 DFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cnc(C)cn1 15608595 KSFLYNDOPBWSFV-NSHDSACASA-N 312.373 2.566 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccccc2OC)n1 1509630 ADBBINGATUFNKK-UHFFFAOYSA-N 306.343 2.581 0 40 DFAB O=C(Nc1nnc(-c2ccccc2)o1)[C@@H]1COc2ccccc2O1 4276198 QWYSZOCQZYVCTH-AWEZNQCLSA-N 323.308 2.515 0 40 DFAB O=c1oc2c(F)cc(F)cc2cc1S(=O)(=O)c1ccccc1 4484171 XQSDGNJDYNSHEH-UHFFFAOYSA-N 322.288 2.904 0 40 DFAB O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCC(F)(F)CC1 2298187952 UHEKUYFUJVEWOZ-OAHLLOKOSA-N 323.387 2.551 0 40 DFAB C[C@@H]1CC(=O)Nc2ccccc2N1Cc1nnsc1Cl 40473988 HXGZUMJHMCJHIO-MRVPVSSYSA-N 308.794 2.929 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)[C@H]1CCCO1 40508995 VVQBAPLAUKMGJO-CMPLNLGQSA-N 313.829 2.798 0 40 DFAB O=C(CCNc1ncccn1)Nc1nc2c(s1)CCCCC2 40527797 JOXPSHLWUKWRPO-UHFFFAOYSA-N 317.418 2.643 0 40 DFAB CCN(Cc1cccc(C)c1)S(=O)(=O)c1c(C)noc1C 40516554 AIXZPGMESMLIBS-UHFFFAOYSA-N 308.403 2.811 0 40 DFAB COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1 270273 DVYBAJZIJCUZFK-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB CC(C)Oc1ccc(-c2noc(C(=O)NCC3CC3)n2)cc1 20718899 UNIURSCPBPIFMZ-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCC(=O)NC(N)=O 32777587 HBKZFDJRHXDTAM-QMMMGPOBSA-N 318.204 2.571 0 40 DFAB O=C(Nc1ccc2c(c1)CCO2)c1cc2ccccc2oc1=O 32787474 YGGGUFABBCERGY-UHFFFAOYSA-N 307.305 2.980 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 21895709 OYPTVEMLGGZEAF-UHFFFAOYSA-N 309.412 2.723 0 40 DFAB COc1ccc(-c2cnc(CN3C[C@H](C)O[C@@H](C)C3)o2)cc1 41363328 GDYWPYHBYNUSGF-STQMWFEESA-N 302.374 2.959 0 40 DFAB CC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 263723 UQOWMVCXKYGXPE-QMMMGPOBSA-N 323.190 2.819 0 40 DFAB Cc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cnc1C 97301383 HFILLHRMOJEWKR-GOSISDBHSA-N 323.440 2.918 0 40 DFAB CCn1cc(NC(=O)c2ccccc2Cl)c(C(=O)OC)n1 2796492 CDDHLCABNBVOAM-UHFFFAOYSA-N 307.737 2.595 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Cl)cc1 411452 PXDXDGXFKUKLFD-UHFFFAOYSA-N 313.748 2.632 0 40 DFAB COC(=O)c1sc(NCc2nc(C)c(C)o2)nc1Cl 92621341 LVVFYGFCOHGIJS-UHFFFAOYSA-N 301.755 2.800 0 40 DFAB CN(C)c1cc(C(=O)Nc2ccc(-c3ccccc3)nn2)ccn1 79097406 WVSVYKAROXZHFR-UHFFFAOYSA-N 319.368 2.857 0 40 DFAB CCCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1Cl 79025454 YVOUAOKAOQHIDR-CYBMUJFWSA-N 309.797 2.863 0 40 DFAB Nn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O 1619961 CMTNMFFMRLGVCZ-UHFFFAOYSA-N 316.158 2.540 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CCN(CC(F)F)CC3)cc2c1C 61601623 YHYILSFDPCWQDC-UHFFFAOYSA-N 321.371 2.808 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)OCO2 3366070 LOUKYWUUWARXFD-GFCCVEGCSA-N 311.337 2.772 0 40 DFAB Cc1ccccc1C(=O)NCC(=O)Nc1cccc2cccnc12 8987667 KPDDYWQRRCBHJL-UHFFFAOYSA-N 319.364 2.912 0 40 DFAB Nc1c(C(=O)NC2CCCCC2)nnn1-c1ccccc1Cl 4984963 RAUFMMDSBLZASX-UHFFFAOYSA-N 319.796 2.565 0 40 DFAB Cc1ccc(-c2nnc3s/c(=C/c4ccccc4)c(=O)n23)cc1 6857989 FBJIHAUQTQBEGQ-RVDMUPIBSA-N 319.389 2.674 0 40 DFAB COc1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)ccc1F 7361116 WFIORYUJLFCIIL-UHFFFAOYSA-N 323.345 2.838 0 40 DFAB COc1ccc(/C=C2\NC(=S)N(Cc3ccco3)C2=O)cc1 7914969 YMRXNTTYQCADCP-ZROIWOOFSA-N 314.366 2.546 0 40 DFAB C[C@H]1Oc2c(C(=O)Nc3cccc(C(N)=O)c3)cccc2[C@H]1C 8944394 PRDHRFFHUJAYDJ-WDEREUQCSA-N 310.353 2.922 0 40 DFAB O=C(COCC1CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 84583273 CCQBPDIRCSQLLP-CQSZACIVSA-N 313.401 2.696 0 40 DFAB C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1Cl 23711890 CYCVFXHZQOBEMX-GFCCVEGCSA-N 308.809 2.920 0 40 DFAB Cc1nc2ncc(C(=O)Nc3cccc(Cl)c3)c(C)n2n1 10338733 WHNBJOSVXVJVHV-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB O=C(Cc1ccsc1)N1C[C@H]2CC[C@H]1[C@H]2Oc1ccccn1 107266126 IBKRKDYTIQGISO-KEYYUXOJSA-N 314.410 2.754 0 40 DFAB Cc1ccc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 47817101 NQWBAHVVTAIKQO-HXUWFJFHSA-N 324.424 2.905 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@@H]2Cc3ccccc3O2)s1 43696543 YTCUXOAFCDPSEI-NSHDSACASA-N 318.402 2.787 0 40 DFAB COC(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 12536731 YIWKXUFSDJGBBL-JTQLQIEISA-N 303.387 2.798 0 40 DFAB Cc1ccoc1C(=O)NCCc1nccn1Cc1ccccc1 27482315 FSDKSBFAIVUOKE-UHFFFAOYSA-N 309.369 2.805 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccccc1 57355441 MMGKWLVMRNRLOY-RDJZCZTQSA-N 312.369 2.506 0 40 DFAB O[C@H](CN1CCC(c2cc[nH]n2)CC1)c1cc(F)ccc1F 58229295 ZPZSWQQEDCRIPR-MRXNPFEDSA-N 307.344 2.601 0 40 DFAB Cc1cnn(CCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 58393196 SEZQUVJGGFIDNO-KRWDZBQOSA-N 315.392 2.954 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1cc(-c2ccc(C)s2)n[nH]1 58365215 SRLGDVKYDPGQRI-LLVKDONJSA-N 323.418 2.827 0 40 DFAB Cn1ccnc1CNc1ccc(I)cc1 36804511 RZNJZNJHGXKZKJ-UHFFFAOYSA-N 313.142 2.637 0 40 DFAB CN(C)c1ccc(CCCNS(=O)(=O)c2cccs2)cc1 11693686 LRYGFZGPKMTSAH-UHFFFAOYSA-N 324.471 2.725 0 40 DFAB CCC[C@@H]1NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O 46027222 GVFFSZUUQZKREK-ZDUSSCGKSA-N 301.321 2.594 0 40 DFAB C[C@H](NC(=O)COc1ncnc2sccc12)c1ccccc1 3317264 YCBVBZMYSVQONP-NSHDSACASA-N 313.382 2.948 0 40 DFAB CCn1nnc2cc(C(=O)NCc3sccc3C)ccc21 23137809 RMIPALQOECHSMO-UHFFFAOYSA-N 300.387 2.751 0 40 DFAB CC[C@@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)c1ccccc1 37171377 NNYBXCSZFBSKKC-QGZVFWFLSA-N 316.445 2.943 0 40 DFAB NC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 3315119 NWADNKSWZOYCJT-UHFFFAOYSA-N 319.773 2.876 0 40 DFAB Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 3335539 NSWGKKFUXOWACQ-UHFFFAOYSA-N 308.381 2.593 0 40 DFAB Cn1cnnc1-c1cccc(NCc2cccc3cn[nH]c23)c1 89761961 KYXWPSIVLYDACL-UHFFFAOYSA-N 304.357 2.971 0 40 DFAB CCCCC[C@H](C)NC(=O)c1cccc(-n2nnnc2C)c1 71285566 LQNAUKMGCJGHHK-LBPRGKRZSA-N 301.394 2.669 0 40 DFAB O=C(O)C[C@H](NC(=O)COc1cccc(F)c1)c1cccs1 13389197 UWTWTCIONQIMGI-LBPRGKRZSA-N 323.345 2.598 0 40 DFAB COc1ccc(CNC(=O)c2sccc2C)cc1C(=O)O 13392804 ABDIUKTWHUXJTG-UHFFFAOYSA-N 305.355 2.693 0 40 DFAB CN1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 13720885 PMABBFBVHWJQQB-UHFFFAOYSA-N 306.369 2.734 0 40 DFAB CCc1nc2cc(S(=O)(=O)NCC3CCCC3)ccc2o1 96007596 FWSCGLNIUXSWNT-UHFFFAOYSA-N 308.403 2.859 0 40 DFAB COc1cc(CC(=O)Nc2cccc(C)n2)cc(OC)c1OC 9322235 HYPLQDNMTQRLDG-UHFFFAOYSA-N 316.357 2.597 0 40 DFAB Cc1n[nH]cc1CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 65458922 HAGZJFXQYUQPOG-LBPRGKRZSA-N 306.360 2.612 0 40 DFAB CC(=O)Nc1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F 66386316 GQNXLHDPBGREQP-UHFFFAOYSA-N 304.325 2.814 0 40 DFAB COc1ccccc1OCCNC(=O)COc1cccc(C)c1 14869092 RSWMPWHXQRUWKZ-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB COC(=O)CCN(C(=O)c1c(C)noc1C)c1cccc(F)c1 76023079 ZCMFYCIDIHEBRJ-UHFFFAOYSA-N 320.320 2.640 0 40 DFAB Cc1cccc2nc(CNC(=O)N3CCSC(C)(C)C3)cn12 83655210 FEDYCJHSHSNBBO-UHFFFAOYSA-N 318.446 2.680 0 40 DFAB CC(=O)Nc1cccc(OCC(=O)NCC2CCCCC2)c1 7007565 CKTOVCQZHBFKAR-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB Cc1cc(NC(=O)CN2CCCSc3ccccc32)no1 7273887 VWRXVMVOMRWFQD-UHFFFAOYSA-N 303.387 2.924 0 40 DFAB c1ccc(-c2cc(CN3CCCC[C@@H]3Cn3cncn3)on2)cc1 71876277 QYUCQDTTWPERJW-MRXNPFEDSA-N 323.400 2.988 0 40 DFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)CCC3)CS2 7777429 IBAAIMXLSCYPOW-YOEHRIQHSA-N 316.426 2.568 0 40 DFAB O=C(/C=C/c1ccco1)NCc1ccc(Cn2cccn2)cc1 16302023 VWBMEBQYFRIURP-CMDGGOBGSA-N 307.353 2.854 0 40 DFAB CN(CCO)c1ncnc2scc(-c3ccc(F)cc3)c12 8079944 QICVDQOJRFXEKJ-UHFFFAOYSA-N 303.362 2.926 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H]1CCCc2ccccc21 8167324 PVOKBTLTTWBTSM-HNNXBMFYSA-N 320.414 2.990 0 40 DFAB CN(Cc1ccncc1)C(=O)c1ccc2c(c1O)OC(C)(C)C2 70009566 JDEYEYQOMDXMOX-UHFFFAOYSA-N 312.369 2.773 0 40 DFAB COc1cccc(CN(C(=O)NC2CC2)C2CCC(O)CC2)c1 69461373 WXIXJILVYCYCDF-UHFFFAOYSA-N 318.417 2.673 0 40 DFAB CCCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1OC 95940827 RDVHEWHDTIGXCQ-YEJXKQKISA-N 313.463 2.683 0 40 DFAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)N1CCCCCC1 9850594 BCFQTQOGAYJRMH-AWEZNQCLSA-N 306.406 2.715 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C 8724705 YDLBTUSYSALXDU-UHFFFAOYSA-N 312.369 2.617 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1 73498596 RNDPKYMNWORRFA-JTQLQIEISA-N 320.462 2.883 0 40 DFAB COc1ccc(C)nc1NC(=O)N(C)CCc1ccncc1 97143120 TVDGJTAXVOMOQI-UHFFFAOYSA-N 300.362 2.500 0 40 DFAB CN(C)c1cc(C(=O)NCCc2ccc[nH]2)c2ccccc2n1 97113000 KDXINMWMLYFZOR-UHFFFAOYSA-N 308.385 2.601 0 40 DFAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2cc(C)cc(C)n2)C1 97142943 WRZZXFSEDOMYMO-VVYDWRJNSA-N 323.462 2.900 0 40 DFAB O=S(=O)(Nc1noc(C2CC2)n1)c1c(F)cccc1Cl 97103173 UHOZDYWQGZDSPA-UHFFFAOYSA-N 317.729 2.540 0 40 DFAB C[C@H](Nc1ncnc2c1cnn2CCO)c1cc2ccccc2o1 97200332 CZZRHKRDJKSRRT-NSHDSACASA-N 323.356 2.738 0 40 DFAB CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)no1 76044268 BJASUSNNKHWVEF-DGCLKSJQSA-N 307.394 2.672 0 40 DFAB Cc1c(CNC(=O)c2ccc(Oc3ccccc3)nc2)cnn1C 89544759 LLQIPDXWZKSBSU-UHFFFAOYSA-N 322.368 2.846 0 40 DFAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCCO 20745176 RHFLMMZUMGGUTN-UHFFFAOYSA-N 308.381 2.807 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2c(C)nn(CC)c2C)cc1 35670865 VMOAHRQJRKGROX-UHFFFAOYSA-N 323.418 2.719 0 40 DFAB Cc1cc(C)c(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)c1 409148226 XURORMYXPRONEI-WUXMJOGZSA-N 305.355 2.733 0 40 DFAB c1ccc(OCc2nnc3n2N[C@@H](c2ccco2)S3)cc1 3843189 YDQZQTMBBQXXNE-CYBMUJFWSA-N 300.343 2.798 0 40 DFAB biogenic O=C(O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 33344592 RWVHRLDIPXKKIN-HCFISPQYSA-N 303.339 2.754 0 40 DFAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227947 ZTVQYHBQBXNFJP-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB CC(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1 72354275 BASACZKZJQQSDP-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1cnn(C(C)(C)C)c1)CCC2 89702144 MOIBBKKLZXIKCN-HNNXBMFYSA-N 301.438 2.810 0 40 DFAB Oc1cccnc1NC(=S)NCCCc1ccc(F)cc1 223967874 HIQBHGSGCBQJKQ-UHFFFAOYSA-N 305.378 2.846 0 40 DFAB CCC(CC)N=c1cc[nH]cc1NC(=O)c1nc(C)oc1C 573594304 RHINSQWANDDVGV-UHFFFAOYSA-N 302.378 2.961 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)[C@@H]1C[C@@H]2C=C[C@@H]1C2 195530067 YGAUOQWWEWHPFY-MRVWCRGKSA-N 321.384 2.690 0 40 DFAB COc1cn(C)c(C(=O)Nc2cccc3ccccc23)cc1=O 49549994 JEIUONJKUFTPGZ-UHFFFAOYSA-N 308.337 2.799 0 40 DFAB Cc1ccc(CCNC(=O)N[C@@H](C)CCc2cccn2C)cn1 96440084 TZJQADHEQUPUGD-HNNXBMFYSA-N 314.433 2.592 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)NCCC1=CCCC1 96484456 DCFKCYWQVHRHQC-UHFFFAOYSA-N 304.438 2.845 0 40 DFAB CN1C[C@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)[C@H](F)C1 96112248 PYCVCJZIBWPBQB-SKDRFNHKSA-N 317.286 2.750 0 40 DFAB biogenic,in-vitro CCO[C@@H]1C[C@H](NC(=O)Nc2ccnn2C(C)C)C12CCC2 96433787 NROAOZVLTMEUMU-QWHCGFSZSA-N 306.410 2.933 0 40 DFAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccc(C)s3)C2)n1 97953410 JHOWWPNNWUGECB-BPLDGKMQSA-N 319.430 2.895 0 40 DFAB O=C(O)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 96402412 LUQNIRISTUFFHN-UHFFFAOYSA-N 306.749 2.758 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccccn3)CC2)CN1C(C)C 96051760 FVPBGHZGZPHIDJ-GOSISDBHSA-N 317.477 2.793 0 40 DFAB O=C(Cc1cccc(Cl)c1)NC[C@@H](O)c1ccccc1F 96445824 SSGLPPXYCBZWCJ-OAHLLOKOSA-N 307.752 2.871 0 40 DFAB CN(c1nnc(Cc2ccc(Cl)cc2)s1)C1CC(N)C1 580634351 FUYAYHOXHYPOBA-UHFFFAOYSA-N 308.838 2.708 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)Cc2cc(C)no2)c1 330153356 XDMQLRHIRSSQMB-INIZCTEOSA-N 320.414 2.958 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)NC3CCCC3)CC(=O)N2C)cc1 96181305 LHIVGNLJDPTVFL-NVXWUHKLSA-N 300.402 2.573 0 40 DFAB CN(C)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 248157209 ZOLWNEVXBGWQEQ-AWEZNQCLSA-N 322.815 2.794 0 40 DFAB c1cc(CN2CCO[C@H](CCc3ccncn3)C2)c2cc[nH]c2c1 257339382 ZBLXYIHTJRDORW-QGZVFWFLSA-N 322.412 2.792 0 40 DFAB COc1cccc2c(N3CCO[C@H]([C@H]4CCCO4)C3)ccnc12 252587432 YGXPAWIWSNVOCJ-WBVHZDCISA-N 314.385 2.628 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCc1nccs1 252484589 FZWHGMNIQUGLLD-LLVKDONJSA-N 320.462 2.564 0 40 DFAB O=C(Cc1cccs1)NCc1cnc([C@@H]2CCCCO2)nc1 257217211 CYAUHHLCCQLJLZ-AWEZNQCLSA-N 317.414 2.639 0 40 DFAB CCCn1ccnc1CN1CCC[C@@H](Cc2[nH]ncc2C)C1 257283038 OWNYNEPMYOUXPV-HNNXBMFYSA-N 301.438 2.779 0 40 DFAB COCC[C@H]1CCCCN(C(=O)c2cccc(C(=O)O)c2)C1 263574457 NPXXDRRPWSQNAQ-CYBMUJFWSA-N 305.374 2.664 0 40 DFAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1nc2ccccc2s1 96123124 XXHHBJXFDJNTNK-LLVKDONJSA-N 314.370 2.707 0 40 DFAB C[C@@H](CNCc1c[nH]nc1-c1cccs1)Cn1cccn1 48785152 AUXNFTBHAAMQJX-LBPRGKRZSA-N 301.419 2.761 0 40 DFAB Cc1cc(NC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)on1 95413894 YGGVISNRTDWYEJ-LLVKDONJSA-N 311.382 2.861 0 40 DFAB Cc1csc(C(C)(C)NC(=O)c2ccc(C(=O)O)cc2)n1 97017659 AHTYOZXMECTEIO-UHFFFAOYSA-N 304.371 2.815 0 40 DFAB CCCS(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 89960374 HWCBWBOQGQCNBS-UHFFFAOYSA-N 317.838 2.923 0 40 DFAB Cc1cc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c(C)o1 189287089 BJTLGSNAUXYVSD-UHFFFAOYSA-N 318.339 2.901 0 40 DFAB CO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1ccc(F)cc1 1615086028 WPUVVVPVZLVPMF-QAPCUYQASA-N 307.409 2.884 0 40 DFAB CCn1c(C)cc(C(=O)NCc2ccc3c(c2)OCO3)c1C 12455852 HLIATGLXMNSCPC-UHFFFAOYSA-N 300.358 2.784 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 19118137 QDIJEJIDGBXXID-AWEZNQCLSA-N 315.348 2.536 0 40 DFAB Cc1cc(NCc2sccc2Br)n(CCO)n1 155709447 DEOSDYLKFLGYGM-UHFFFAOYSA-N 316.224 2.620 0 40 DFAB COc1ccc(/C=C2\N=C(c3ccc(N)cc3)OC2=O)cc1OC 1616415 VQHGBAMMPHHZCT-ZROIWOOFSA-N 324.336 2.631 0 40 DFAB CCCn1c(=O)c2sccc2n(Cc2cccc(C)c2)c1=O 1565519131 DKNQEIGRTZDGOM-UHFFFAOYSA-N 314.410 2.991 0 40 DFAB O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=NCCCN12 202939 HAFMOFKCLVRMAV-GFCCVEGCSA-N 315.320 2.920 0 40 DFAB O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCCC1 4358110 IPFAYRWTMSOIPN-UHFFFAOYSA-N 314.414 2.643 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1cccs1 23105533 OMPBCJFJLSVXGV-CQSZACIVSA-N 306.406 2.849 0 40 DFAB Cn1cc([C@@H]2CCCCN2c2ncc(Br)cn2)cn1 346114037 GFTNVYIDXFYZLV-LBPRGKRZSA-N 322.210 2.704 0 40 DFAB Clc1cccnc1OC[C@H]1CCCN(c2ccncn2)C1 2298182824 UOAORYNJDZGUEP-LBPRGKRZSA-N 304.781 2.820 0 40 DFAB O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccccc1O 100755593 WWGKKYSXSBQQEC-GFCCVEGCSA-N 306.321 2.921 0 40 DFAB biogenic O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccco2)CC1 20479626 UPGDWKSEQVZWGT-UHFFFAOYSA-N 318.804 2.820 0 40 DFAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 258723 QLZXSYFEOSMCSB-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB Cc1nc(Nc2nc(=O)c3ccccc3n2C)nc2ccccc12 377099 BRQNAUKMQQVIGY-UHFFFAOYSA-N 317.352 2.929 0 40 DFAB biogenic CCNC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 325015 FQFDZJIIBIEJAS-LBPRGKRZSA-N 318.352 2.785 0 40 DFAB CC[C@H](NC(=O)Cn1ccccc1=O)c1ccc(Cl)cc1 21347798 MIQQUVROFFMFAP-AWEZNQCLSA-N 304.777 2.769 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCc2ccccc21 21896959 LPKPALPRBFXDFF-SWLSCSKDSA-N 312.369 2.592 0 40 DFAB CCc1ccc(N2C(=O)C[C@H](NCCc3ccccc3)C2=O)cc1 548721 APGVFQXLNBWCRW-SFHVURJKSA-N 322.408 2.713 0 40 DFAB C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1ccccc1F 41625970 USUPXIAYSFNEEU-ZDUSSCGKSA-N 311.364 2.994 0 40 DFAB COc1ccc([C@@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 239773 MIPQXPRHBFPMPO-FQEVSTJZSA-N 319.384 2.980 0 40 DFAB CCC(=O)NCc1ccc(OCCOc2ccccc2)nc1 47194296 DCNDGSLBTADPQJ-UHFFFAOYSA-N 300.358 2.566 0 40 DFAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 47157309 RLSWKFBBZMHWEF-NSHDSACASA-N 310.357 2.767 0 40 DFAB O=C(Cc1n[nH]c2ccccc12)N1CCCc2cccc(O)c21 97048498 OUDSXGAQUHMHPN-UHFFFAOYSA-N 307.353 2.790 0 40 DFAB CC[C@H](C)CN(C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 78644909 LGVNUNDUAUCIQP-LBPRGKRZSA-N 324.421 2.900 0 40 DFAB CC(C)COC[C@@H](C)NC(=O)c1cc2cc(F)ccc2oc1=O 78877089 YTTIWGOSMVVIMH-LLVKDONJSA-N 321.348 2.723 0 40 DFAB COc1ccc2c(c1O)[C@@]1(CCN(C)C)CC(=O)CC[C@H]1C=C2 1721260 ZWNYBWZHYOGFEA-KUHUBIRLSA-N 315.413 2.986 0 40 DFAB O=C(N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cscn1 78987362 GMXTXVRXEKLEIG-CVEARBPZSA-N 324.409 2.998 0 40 DFAB O=C1NC(=S)N/C1=C\c1cccc(OCc2ccccc2)c1 2896987 ROVFVJUJKZFITG-GDNBJRDFSA-N 310.378 2.611 0 40 DFAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)c1cccs1 54042089 TXENZKFDODIMEB-QWRGUYRKSA-N 314.476 2.573 0 40 DFAB N[C@@H]1N=C(c2ccccc2F)c2ccc(Cl)cc2NC1=O 4202409 JTNDGYNEXPKZGM-CQSZACIVSA-N 303.724 2.553 0 40 DFAB O=C(NCC[C@H]1CCCO1)c1ccc(OC[C@@H]2CCCO2)cc1 23189256 GQDMJSIXIBUWRA-WBVHZDCISA-N 319.401 2.543 0 40 DFAB CCOC(=O)c1cn[nH]c1NC(=O)Nc1cccc(Cl)c1 6265604 JPHXYPPWTIKUNW-UHFFFAOYSA-N 308.725 2.884 0 40 DFAB COc1cccc(-c2nn(C)c3c2C(=O)C[C@@H](C)C3)c1OC 3101968 PQSOIJGGTVENIE-JTQLQIEISA-N 300.358 2.869 0 40 DFAB CN(C)CCCNC(=O)CSCc1ccccc1Cl 10111336 PZJWEDZUNIVNSA-UHFFFAOYSA-N 300.855 2.641 0 40 DFAB CN1CCCN(CCCN[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 92746530 LCBRGSCNJOIDEV-AOIWGVFYSA-N 307.526 2.818 0 40 DFAB C[C@H]1CCCN(CCCCNC(=O)NCc2ccccc2)C1 42862663 JDZVFWUDHGSWOI-INIZCTEOSA-N 303.450 2.998 0 40 DFAB CCOC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 8393157 QSAKXRQDAXKKIV-UHFFFAOYSA-N 324.808 2.825 0 40 DFAB Cc1sc(=O)n(CC(=O)N2CCCc3ccccc32)c1C 55111422 GSUBFPAQUZMUAO-UHFFFAOYSA-N 302.399 2.506 0 40 DFAB COc1ccccc1OCc1nc2ccccc2n1CC(=O)O 57800604 MZGWMGDQVJVOOP-UHFFFAOYSA-N 312.325 2.709 0 40 DFAB Cn1cncc1CNCC1(c2ccccc2Cl)CCOCC1 106251453 LWDKNCLZEFSSFH-UHFFFAOYSA-N 319.836 2.912 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 48065983 ZAFNKAORMGGXSO-PPGNKHEKSA-N 318.373 2.516 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3CCCCNC3=O)oc12 56395150 PDQABDQTRVWPGA-ZDUSSCGKSA-N 314.385 2.757 0 40 DFAB O[C@H](COCc1cccs1)CN1CCc2ccccc2C1 3217566 DAJLBHHTBAWZTG-INIZCTEOSA-N 303.427 2.684 0 40 DFAB Cc1ccc(Br)cc1COC(=O)c1cnccn1 97086260 ARVKLSIFFAPGAE-UHFFFAOYSA-N 307.147 2.905 0 40 DFAB CN(Cc1ccsc1)C(=O)NC[C@H]1COc2ccccc2O1 26520297 ICLACLPSLSAEOH-ZDUSSCGKSA-N 318.398 2.730 0 40 DFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 12679626 ZTQBIDYSCVHQKJ-UHFFFAOYSA-N 310.419 2.518 0 40 DFAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccco1)c1cccs1 44894305 VJKLKBKTHRAZRB-ZDUSSCGKSA-N 306.387 2.567 0 40 DFAB COc1ccccc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C 58269167 HWPQREVEPVTAIQ-SNVBAGLBSA-N 310.419 2.800 0 40 DFAB CCOC(=O)N[C@@H](C(=O)NCc1ccc(F)c(C)c1)C(C)C 36397856 PGVMZFKTQONMFP-CQSZACIVSA-N 310.369 2.521 0 40 DFAB CN(Cc1nnc2n1CCCCC2)c1ncnc2ccccc12 45802487 NWHGLUQQOPKEAH-UHFFFAOYSA-N 308.389 2.584 0 40 DFAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCCC2)c1 20486748 LZVGJWLNPXTLQP-KRWDZBQOSA-N 318.461 2.981 0 40 DFAB O=C(NCC(=O)N1CCc2ccccc21)c1ccccc1Cl 2646503 GHITUNFONKFWMJ-UHFFFAOYSA-N 314.772 2.659 0 40 DFAB O=S1(=O)N=C(N[C@H]2CCCc3ccccc32)c2ccccc21 3407318 UJBDYUKHYXOTBO-HNNXBMFYSA-N 312.394 2.803 0 40 DFAB CN(C)c1ccc(N(C)C(=O)c2cccc(-n3cncn3)c2)cc1 95398772 USECCODXNSYZMY-UHFFFAOYSA-N 321.384 2.610 0 40 DFAB CC1CCN(S(=O)(=O)N2CCc3sccc3[C@H]2C)CC1 12922957 ZQAWVXVSEBFEAN-GFCCVEGCSA-N 314.476 2.644 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccc(OC)cc2OC)c1 13013165 UCNJOVDZIPJKPE-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB CC(=O)Nc1cccc(NC(=O)CN2CCCCCCC2)c1 13141385 PPHMLJJSXZCSQP-UHFFFAOYSA-N 303.406 2.850 0 40 DFAB CN(Cc1nc2ccccc2s1)[C@@H](C(N)=O)c1ccccc1 14073758 BTQHEISVLQXOBZ-MRXNPFEDSA-N 311.410 2.955 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCCC[C@@H]2CC(N)=O)o1 65565412 WJNVGCXQALFSHK-IGOMDPRQSA-N 316.401 2.673 0 40 DFAB COc1ccc([C@H]2CCCN2CCOC(=O)N(C)C)cc1OC 96012909 SVUIVHZCRBSYIV-CQSZACIVSA-N 322.405 2.539 0 40 DFAB Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)[nH]n1 96001220 OEXZEGFLTFVJHD-ZDUSSCGKSA-N 317.393 2.982 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1 6559131 AYKQBGMTCORKQH-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB C(=C/c1nn2c(-c3cnccn3)nnc2s1)\c1cccs1 4776394 URIAAZPSCWPXSB-ONEGZZNKSA-N 312.383 2.875 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](O)COC 72287621 RBKNTLKEFUPMQN-LLVKDONJSA-N 314.813 2.594 0 40 DFAB CS(=O)(=O)c1nc2ccccc2n1CCOc1ccccc1 15374241 XTJLARZBEQKGJV-UHFFFAOYSA-N 316.382 2.519 0 40 DFAB O=C(COC(=O)c1cc(F)cc(F)c1)Nc1cccc(F)c1 7031925 AHXZXGISWQUDEZ-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1ccccc1F 7398398 WHDCXWZEEWVHJX-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCC2)c1 7980072 QBKRNBRQMRUOJI-UHFFFAOYSA-N 310.419 2.502 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)cc1C 8168103 KLQXTGZAVMRWDE-INIZCTEOSA-N 324.424 2.953 0 40 DFAB CCCn1nc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1=O 9585970 IVOJYCYJXIKCGL-UHFFFAOYSA-N 323.299 2.507 0 40 DFAB O=C(c1cccs1)N1CCCN(Cc2cscn2)CC1 69656057 WCXHTMNVQSBRKD-UHFFFAOYSA-N 307.444 2.553 0 40 DFAB Cc1occc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 91840809 DZUKLWVBJHGLQO-GFCCVEGCSA-N 321.402 2.828 0 40 DFAB COc1cccc(C[C@H](Oc2ccccc2OC)C(=O)O)c1 225099839 ODGIKYVTMDFRES-INIZCTEOSA-N 302.326 2.779 0 40 DFAB COC(=O)C(C)(C)NCc1cccc(OCc2ccccn2)c1 69776324 XJMMIHGXWLFPEJ-UHFFFAOYSA-N 314.385 2.702 0 40 DFAB CN(CCO)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 19938823 ZMFUMOHENIVSED-UHFFFAOYSA-N 304.349 2.875 0 40 DFAB biogenic CC(C)[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 71908052 RUPWZQNFNBFPTD-CQSZACIVSA-N 323.458 2.988 0 40 DFAB C[C@@H](NCc1ccc(CO)o1)c1cccc(N2CCCC2=O)c1 84656082 NJUAHJUWETZBJU-CYBMUJFWSA-N 314.385 2.750 0 40 DFAB COCC[C@@H](C)NC(=O)N1CCC[C@H](Nc2ccccc2)C1 95418936 KBVPMXRKVCNXJE-ZBFHGGJFSA-N 305.422 2.698 0 40 DFAB CN1CCN(CCCN[C@H]2CCC[C@H]2Cc2ccccc2)CC1 95419539 JUUGNWICZUOLRR-PMACEKPBSA-N 315.505 2.625 0 40 DFAB Cc1nc(-c2cc(C(=O)N[C@](C)(C(=O)O)C(C)C)co2)cs1 95989678 MYMWSSSBZKSFGW-HNNXBMFYSA-N 322.386 2.941 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C2CC2)n1 75130797 FNLYQPCPVJEDND-KBPBESRZSA-N 305.447 2.719 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1noc2c1CCCC2 89930507 MYGPPHGOYPIKRY-IAGOWNOFSA-N 317.433 2.529 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N 119034426 IVAXZQQAVDVEBE-SFHVURJKSA-N 323.396 2.743 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408619663 IGGXJZMISFGEQK-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB CCC(C)(C)NC(=O)CSc1nc(Cc2cccs2)n[nH]1 32891529 XEEUUPMYMPPVJX-UHFFFAOYSA-N 324.475 2.854 0 40 DFAB C[C@H]1CO[C@H](c2ccccc2)CN1CCCCC(=O)N(C)C 79090615 GCWDDRCEADKUPK-RDJZCZTQSA-N 304.434 2.707 0 40 DFAB CN(C)C(=O)CNc1ccc(Cl)cc1OCC(F)(F)F 79305638 KGDKWFMXWJDMIK-UHFFFAOYSA-N 310.703 2.781 0 40 DFAB COc1ccccc1[C@H](N[C@@H]1CCCSC1)c1noc(C)n1 183659908 JWLRCAANOYIRTL-DOMZBBRYSA-N 319.430 2.961 0 40 DFAB Cc1cc2nc([C@H]3CCCN(Cc4ccco4)C3)cc(N)n2n1 72339770 NUEVISOXBRSMRS-ZDUSSCGKSA-N 311.389 2.593 0 40 DFAB CCn1ccc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)n1 226749067 DXQHMZIYSMNZQX-MRXNPFEDSA-N 316.336 2.564 0 40 DFAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N(C)C)cc1 226260397 HQALOTJVXPMHTA-UHFFFAOYSA-N 313.401 2.915 0 40 DFAB O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccco2)no1 225527859 WRGKVZVBWMHAAD-UHFFFAOYSA-N 323.308 2.558 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC1CCC(C)CC1 47934544 HTHLYCICLBBJRE-UHFFFAOYSA-N 314.393 2.671 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccccc2Cl)n1 224188993 XCDASKDTMOJFLZ-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB Cc1ccc(CN(C)C(=O)c2cc(O)nc(C3CC3)n2)s1 572011296 BIOLOQROPGFAAU-UHFFFAOYSA-N 303.387 2.702 0 40 DFAB COCc1nc(C2CC2)nc(Cl)c1I 85451767 BTBKEOKIKDELDI-UHFFFAOYSA-N 324.549 2.758 0 40 DFAB COC(=O)c1nn(-c2cc(C)c(Br)cc2C)nc1C 45957952 MJGYWGJFOXWFNP-UHFFFAOYSA-N 324.178 2.742 0 40 DFAB Cc1nnsc1C(=O)N1Cc2ccccc2SC[C@@H]1C 225418602 LNYWJLQSRAQDSH-VIFPVBQESA-N 305.428 2.983 0 40 DFAB COC(=O)c1cc(F)c(N2C[C@H](C)O[C@@H](C)C2)c(F)c1F 98210497 RUNLBZXPPGWNMB-YUMQZZPRSA-N 303.280 2.504 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCC23CCCC3)c1 429190358 FJBLTBXQMXWHFG-AWEZNQCLSA-N 322.430 2.934 0 40 DFAB CCn1cc(C(=O)NCCc2ccc(OC)cc2Cl)cn1 96473127 NIGPKFDBRUVWIJ-UHFFFAOYSA-N 307.781 2.538 0 40 DFAB O=C(c1cccc(C(F)(F)F)c1)N1CCc2ncncc2C1 96122740 KDNAKYXHECEERU-UHFFFAOYSA-N 307.275 2.694 0 40 DFAB COc1ccccc1COC1CCN(C(=O)C(C)(C)F)CC1 91818738 ZQRZNJPITSFSOO-UHFFFAOYSA-N 309.381 2.951 0 40 DFAB O=C([C@@H]1CCc2cccc(O)c21)N1CCC(c2cc[nH]n2)CC1 583579481 QVTOLARPXXQLPD-CQSZACIVSA-N 311.385 2.551 0 40 DFAB COCCn1c(-c2ccc(-n3ccnc3)nc2)nc2ccccc21 96460595 WEWYQBRGEKWNDF-UHFFFAOYSA-N 319.368 2.930 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)Nc2nnc(C3CC3)s2)C12CCC2 96433755 OXELUOIWRYUGLN-GHMZBOCLSA-N 322.434 2.885 0 40 DFAB O=C(c1ccsc1)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 96073529 GPBQRWPCXMHUJX-DOTOQJQBSA-N 321.442 2.938 0 40 DFAB CC(C)(C)c1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)no1 96421921 GBGQTHYRFVSCJH-WQAKAFBOSA-N 307.394 2.907 0 40 DFAB C[C@@H](SCc1nc(CS(C)(=O)=O)no1)c1cccs1 96430198 JEBOSXVIIBZDCC-MRVPVSSYSA-N 318.445 2.670 0 40 DFAB CCc1cccc(CC)c1NC(=O)N1CCC[C@H](CC(N)=O)C1 97098743 AYDKKHFIRGSRDI-CYBMUJFWSA-N 317.433 2.931 0 40 DFAB Cc1ncc(CNC(=O)C(=O)Nc2ccccc2C(C)C)s1 96413548 VLAQOAPKNHHBMV-UHFFFAOYSA-N 317.414 2.830 0 40 DFAB CCO[C@@H]1CCN(C(=O)CCc2ccccc2C)[C@H]2CCO[C@@H]21 96217147 OGDQJPPDCLCRDU-SCTDSRPQSA-N 317.429 2.723 0 40 DFAB CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(O)cc1 252587376 XTBNERXPLAXLCR-VVBPWWLESA-N 323.458 2.521 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H](Cc2cccnc2)C1 257239242 HOOJGLOOXOWISM-ZDUSSCGKSA-N 316.430 2.590 0 40 DFAB CCN(Cc1cn(C)nn1)C(=O)c1cccc(C(F)F)c1F 529004237 PQMHJKJGICINRI-UHFFFAOYSA-N 312.295 2.554 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C1 252505854 OBZCLDWFJDGYTI-XJKCOSOUSA-N 320.458 2.916 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2cnccn2)CC1 257239476 HPKBOAGNIHNSJA-UHFFFAOYSA-N 321.424 2.914 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 257267492 MHNGGJPCJIJHAA-ITGUQSILSA-N 311.784 2.905 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H](C)c2cncc(F)c2)c(C)c1 359191888 GNGQEADDWRKOKR-LLVKDONJSA-N 324.377 2.577 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 260740951 BPZYLKGSUYHWFK-YDHLFZDLSA-N 309.431 2.779 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2csc(-c3ccccn3)n2)c1 69484842 AUXGMVUJIWBTNY-CYBMUJFWSA-N 313.430 2.888 0 40 DFAB O=C(O)/C(Cl)=C(/Cl)C=NNc1ccc([N+](=O)[O-])cc1 257352036 IPZTWAULIXCHDE-CFMKTDQESA-N 304.089 2.766 0 40 DFAB Cc1ncc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)n1C 12143564 JLAAUQIYEDPBHZ-SFHVURJKSA-N 317.408 2.741 0 40 DFAB Nc1nonc1N[C@@H]1CC(=O)C[C@H](c2cccc(Cl)c2)C1 19974042 DANROOBXKHBTGW-KOLCDFICSA-N 306.753 2.623 0 40 DFAB CN(CCO)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 153574222 XIXGLXFEOOQVPE-SNVBAGLBSA-N 310.703 2.577 0 40 DFAB C[C@H]1CN(C(=O)c2cc(N)c(Cl)cc2Cl)C[C@@H](C)O1 226300986 RLECMLGFTSMHLM-OCAPTIKFSA-N 303.189 2.825 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(N)c(Cl)cc2Cl)C[C@@H](C)O1 226300978 RLECMLGFTSMHLM-HTQZYQBOSA-N 303.189 2.825 0 40 DFAB CCN(CC)C[C@H](O)CO[C@H](Cc1ccccc1)C(F)(F)F 3120301 GOKMUNUHXSHUQV-LSDHHAIUSA-N 319.367 2.879 0 40 DFAB CO[C@@H](CNC(=O)NC1CCOCC1)c1ccccc1Cl 130879302 GZJBVOGBIGUMNH-AWEZNQCLSA-N 312.797 2.506 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@]2(CCNCC2(F)F)C1 257907210 ACYWYUOYUBPIGO-OAHLLOKOSA-N 310.344 2.644 0 40 DFAB Cc1cnccc1OCC1CCN(C[C@H]2CCCOC2)CC1 1889072788 YLEGOGJTHMSNGC-QGZVFWFLSA-N 304.434 2.907 0 40 DFAB O=C(N[C@@H]1CCn2nccc2C1)c1csc(-c2ccccc2)n1 244969182 HCXUJNKIOZPDHQ-CYBMUJFWSA-N 324.409 2.751 0 40 DFAB CC(C)[C@H]1Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 17045870 YRLNIUHLQDWGAG-LLVKDONJSA-N 301.371 2.630 0 40 DFAB COC[C@](C)(CNC(=O)Nc1ccccc1C(F)(F)F)OC 575610860 BVKIASSFGYZHOS-ZDUSSCGKSA-N 320.311 2.878 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@@H](OCCO)c1ccsc1 575621486 ORCWDWDHVXNDCZ-FYCOFBDGSA-N 317.410 2.628 0 40 DFAB COc1cc(CNC(=O)c2cccc(OC)c2)cc(OC)c1 30768983 OKWZASYAGRFHBF-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB CCC1(CC)NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O 31607205 WZZHDPLKHZWYCG-UHFFFAOYSA-N 315.348 2.985 0 40 DFAB COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)no2)cc1OC 40535595 MCYUJEJGOZCQCK-LLVKDONJSA-N 304.346 2.800 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2)C[C@@H](C)O1 40526415 XGKCUKVUNSMHJI-AOOOYVTPSA-N 300.305 2.929 0 40 DFAB Cc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)n1 20722771 QQJYYIGFAJYCMD-GXTWGEPZSA-N 315.398 2.610 0 40 DFAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1c2ccccc2C[C@H]1C 21324367 GYNDUMZQDBTMGF-CHWSQXEVSA-N 324.380 2.531 0 40 DFAB CSc1c(F)cc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1F 97372835 GJZQUMOQMVZLNR-DTWKUNHWSA-N 314.357 2.745 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 164748 BAAIHOASGSSDQN-NXEZZACHSA-N 323.336 2.503 0 40 DFAB Cn1cnnc1SC[C@H](O)COc1ccc2ccccc2c1 22242212 BSVZPMQPKWJAIZ-CQSZACIVSA-N 315.398 2.500 0 40 DFAB CCCc1cc(=O)[nH]c(S[C@@H](C)c2nc(C3CC3)no2)n1 53359713 TZYMXGWTMWNXGV-QMMMGPOBSA-N 306.391 2.836 0 40 DFAB CN(c1ccc2ccccc2n1)S(=O)(=O)c1cncc(F)c1 78048354 MVJWEXLOABKEDZ-UHFFFAOYSA-N 317.345 2.594 0 40 DFAB Cc1csc(C2(NS(=O)(=O)c3cccnc3)CCCC2)n1 78674354 YZAHUKPPKOEXHD-UHFFFAOYSA-N 323.443 2.594 0 40 DFAB CSc1nsc(NC(=O)c2ncoc2-c2ccco2)n1 79055592 XNDSHVIWJFARHN-UHFFFAOYSA-N 308.344 2.760 0 40 DFAB CCn1c(SCC(=O)NC(C)C)nnc1-c1cccc(C)c1 2655547 PUKNKPVTDFUHHV-UHFFFAOYSA-N 318.446 2.890 0 40 DFAB O=C(Nc1nncs1)N(Cc1ccccc1)C[C@@H]1CCCO1 53748816 LIMBJJRTKJTLCA-ZDUSSCGKSA-N 318.402 2.751 0 40 DFAB O=C(O)Cc1ccc(Nc2nnc(-c3ccncc3)s2)cc1 4708750 HKOBOAVKJNLSMC-UHFFFAOYSA-N 312.354 2.971 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCOc2ccccc21 43165201 YMZYKLDNUZEZCZ-HNNXBMFYSA-N 315.373 2.957 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)N1CCN(Cc2ccco2)CC1 43266584 PVZSPQQFAZUGKC-UHFFFAOYSA-N 321.327 2.908 0 40 DFAB CC(C)COc1ccc(CC(=O)N(C)C[C@H]2CCCO2)cc1 84544453 UOBZSAFNSLXFQQ-QGZVFWFLSA-N 305.418 2.901 0 40 DFAB O=C(CN1CCC[C@@H]1C1CCCC1)N1CCO[C@H]2CCCC[C@@H]21 55927189 CARMCNYUZHDJQT-SQNIBIBYSA-N 320.477 2.811 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 9134277 AQZKYWQSFQKDPI-UHFFFAOYSA-N 300.383 2.838 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)CNC(=O)NC1CCCCC1 56259153 VYQMMGDFRAWIDA-CQSZACIVSA-N 317.433 2.838 0 40 DFAB C[C@@H](SCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O 3222714 MFDFUOFDUXFPHS-SECBINFHSA-N 322.411 2.955 0 40 DFAB COCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 44549929 ZFTLQFJZJRNRQA-CQSZACIVSA-N 310.353 2.898 0 40 DFAB CCOC(=O)c1ccc2nc(NC(=O)[C@@H]3CCCO3)sc2c1 10101138 ATRGNCQHMNYGHJ-NSHDSACASA-N 320.370 2.591 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1 10155821 UARPVXOGAFYKLV-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB CCOc1ccc2c(c1)CN(C(=O)NCc1nccs1)CC2 58268265 HGXPYUIRKDNEEF-UHFFFAOYSA-N 317.414 2.810 0 40 DFAB CCCc1noc([C@H](C)N2CCN(c3ccccc3O)CC2)n1 27765302 KUTSCHTYMVYPJW-ZDUSSCGKSA-N 316.405 2.611 0 40 DFAB COc1ccc([C@H](C)NC(=O)Cc2c(C)noc2C)c(OC)c1 44908984 YKWAIIAEGPZEES-JTQLQIEISA-N 318.373 2.729 0 40 DFAB O=C(COC(=O)Cc1cccs1)N[C@H]1CCc2ccccc21 72330858 MFGXWWAMRJGOJV-HNNXBMFYSA-N 315.394 2.638 0 40 DFAB CCCc1noc(CCCC(=O)Nc2nc3ccccc3[nH]2)n1 48166947 OJPREWVRJSBQGC-UHFFFAOYSA-N 313.361 2.860 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cnn(C(C)(C)C)c1 48251180 AQOLIHCZNGDVNM-ZFWWWQNUSA-N 307.438 2.963 0 40 DFAB COCCCn1cnnc1SCc1ccc(OC)c(F)c1 58808419 YGWZMWNXLPNMGX-UHFFFAOYSA-N 311.382 2.755 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 29375361 MMDHNAFFKKOWQV-UHFFFAOYSA-N 320.352 2.655 0 40 DFAB O=C(CCCCC(=O)N1C[C@@H]2CC[C@@H]1C2)N1C[C@@H]2CC[C@H]1C2 102764561 NBBDXVSUYXXGDM-FPCVCCKLSA-N 304.434 2.569 0 40 DFAB Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1C 24574693 LKERYHXBUNBUGO-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB Cc1ccccc1OCn1ccc(C(=O)NCc2ccccn2)n1 27972168 BDKXAFVFUNOFMY-UHFFFAOYSA-N 322.368 2.553 0 40 DFAB Cc1cc(C)c(NS(=O)(=O)c2cccs2)c(C(=O)O)c1 60360625 MOADGNWTARRVIN-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2nnc(-c3ccc(C)s3)[nH]2)c1 60454827 JQDFOYZBKXCBFW-UHFFFAOYSA-N 315.358 2.625 0 40 DFAB CC(C)c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)cc1 12993106 CWFQTLYGYAQJFD-UHFFFAOYSA-N 311.385 2.698 0 40 DFAB C[C@@H](c1ccccc1)N(C)C(=O)CCNC(=O)c1ccco1 12972118 HNUOJEZUKWTIPA-ZDUSSCGKSA-N 300.358 2.619 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)S[C@H](C)c1c(F)cccc1F 49065137 FVIHNQKTFCVRLJ-HTQZYQBOSA-N 302.346 2.603 0 40 DFAB O=C(O)C[C@H](NC(=O)Cc1ccc(F)cc1)c1cccs1 13389121 SSRBLOJXIJDUEB-LBPRGKRZSA-N 307.346 2.762 0 40 DFAB CC(C)c1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1 65464854 GXFCIHVGHAZLCE-UHFFFAOYSA-N 312.413 2.964 0 40 DFAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccccc1 14022031 QPTVUTDTZVBSLU-SNVBAGLBSA-N 302.305 2.592 0 40 DFAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1 9210701 KMRMPEGEMIBMIE-UHFFFAOYSA-N 307.353 2.585 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 65760717 RXURYLZSPSEJLE-GRYCIOLGSA-N 324.494 2.589 0 40 DFAB NC(=O)c1cccc(CNCc2cc(Cl)cc3c2OCC3)c1 96008453 JJGWEXIQSACTMC-UHFFFAOYSA-N 316.788 2.664 0 40 DFAB COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1OC 4731528 CFJSLQYRUMSVIJ-UHFFFAOYSA-N 317.360 2.744 0 40 DFAB biogenic COCCNC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 9336702 BTRJGNBBDZGLBB-CQSZACIVSA-N 304.394 2.596 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)NCCc1csc(C)n1 27988690 USWHQTXHOPXEGO-LLVKDONJSA-N 320.414 2.586 0 40 DFAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)OCO3)s1 7133407 WPQSWNWQHRVUJT-UHFFFAOYSA-N 304.323 2.825 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1C 7234881 UAQWZBOYBQHJLV-QMMMGPOBSA-N 310.810 2.896 0 40 DFAB O[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2c[nH]c3ccccc23)C1 15674791 ZWKZYRASWVTRIF-CJNGLKHVSA-N 324.384 2.736 0 40 DFAB biogenic,in-vitro c1cn(CC2(CNC3CCC4(CCNCC4)CC3)CC2)cn1 67964833 HAFAUPAGQFTVHU-UHFFFAOYSA-N 302.466 2.565 0 40 DFAB CN(C)[C@@H]1CC[C@@H](NC(=O)CCc2nc3ccccc3s2)C1 93985645 SBHKHHAYJOJHIA-CHWSQXEVSA-N 317.458 2.828 0 40 DFAB CCCN1CCCN(C(=O)c2csc(-c3ccco3)n2)CC1 71850306 XGVSYOANYDAJCK-UHFFFAOYSA-N 319.430 2.961 0 40 DFAB O=C(NCC1(Sc2ccccc2)CC1)N[C@@H]1C=C[C@H](CO)C1 81494485 VOMYIFHZWDFJOG-UONOGXRCSA-N 318.442 2.548 0 40 DFAB C[C@@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1ccnc1 71856826 HNWUORUZLRXOQI-VIFPVBQESA-N 317.299 2.751 0 40 DFAB COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19942897 BTWHNJPXTWDLHV-CHWSQXEVSA-N 311.447 2.979 0 40 DFAB COC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)CCC(C)C)c1 8314219 MXAFLEFKPJUNLJ-ZBFHGGJFSA-N 323.433 2.627 0 40 DFAB CC[C@@H]1c2ccccc2CCN1CC(=O)NCc1ccccn1 71907877 SBCIAXUUONMBNV-GOSISDBHSA-N 309.413 2.707 0 40 DFAB Cc1ccccc1[C@H](C)CC(=O)NCCCn1ccccc1=O 71909365 UXMKZGPBIXDNIY-MRXNPFEDSA-N 312.413 2.857 0 40 DFAB CSc1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)nn1 95403385 CMJHGANFPONLFG-LBPRGKRZSA-N 314.414 2.695 0 40 DFAB OC[C@H]1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1 69780289 XIAAFFSVFKBMON-LBPRGKRZSA-N 303.337 2.617 0 40 DFAB CC1(C)C[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C(C)(C)O1 95423919 FXEQOBIIXZZLOA-LSDHHAIUSA-N 308.466 2.713 0 40 DFAB Cn1cc(C[C@H]2CCN(C(=O)NCCCC(C)(C)C)C2)cn1 84169791 JFSYAVXLINMTCM-CQSZACIVSA-N 306.454 2.820 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(c1ccnc(C(C)(C)C)n1)CC2 97011953 YTMXJWUZSLLXEU-KGLIPLIRSA-N 319.449 2.530 0 40 DFAB CCn1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cn1 97018974 QLCDDHFKRJRALI-UHFFFAOYSA-N 301.346 2.518 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCc3nccn3C2)c1 72286706 CKRIGEGPVSXEIW-OAHLLOKOSA-N 324.428 2.537 0 40 DFAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1Cl 88270239 LZJRIFKUKSCEIB-DGCLKSJQSA-N 310.781 2.587 0 40 DFAB Cc1nn(C)c(C)c1CCCNC(=O)c1cccc2[nH]ccc12 95986140 IUQHCVQVENIFHV-UHFFFAOYSA-N 310.401 2.881 0 40 DFAB C[C@H](C(=O)N1CCC(n2ccnn2)CC1)c1ccc(Cl)s1 95979275 CCLZTKQKDOWVAH-JTQLQIEISA-N 324.837 2.960 0 40 DFAB CC1(CNC(=O)NCc2ccc(C(N)=O)o2)CCCCCC1 95988905 GYIBIVCHQSRGHT-UHFFFAOYSA-N 307.394 2.538 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NCCC[C@@H]2CCCCO2)C1 95940520 KORVNUBEKPLNGV-HZSPNIEDSA-N 300.468 2.919 0 40 DFAB CC(C)c1ncc(CN2CCC[C@@H](Cn3cncn3)C2)s1 95972231 AXFANUMSBMGYCH-CYBMUJFWSA-N 305.451 2.770 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC(COCC(C)C)CC1 95949393 BQNGXDGALYFDSV-UHFFFAOYSA-N 308.422 2.745 0 40 DFAB CC(C)S(=O)(=O)CCCN(C#N)c1ccc(F)c(Cl)c1 95965513 WJNSJGOAOAITGY-UHFFFAOYSA-N 318.801 2.980 0 40 DFAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1n[nH]c2ccccc12 85877300 LYKGSQMBFNCIFS-XJKSGUPXSA-N 312.417 2.557 0 40 DFAB biogenic Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(C)C[C@H]1C 89562840 YEFUZEAZTOFSDY-SNVBAGLBSA-N 321.471 2.956 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccco1 75130076 HUYUWQFXNMBWPQ-HNNXBMFYSA-N 301.390 2.926 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)C2CCOCC2)C12CCCCC2 76022595 AQAKPEKGAZWOLL-CVEARBPZSA-N 309.450 2.999 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 408707099 JSFKNUUUMRNOIQ-HUUCEWRRSA-N 310.397 2.784 0 40 DFAB CCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1O 187780 KAIMAPGPSLRDDN-UHFFFAOYSA-N 310.353 2.972 0 40 DFAB biogenic CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](C)C2)cc1 35982072 XHMQPFJPUWCIMQ-GOEBONIOSA-N 305.418 2.751 0 40 DFAB Cn1ccnc1[C@H]1CCN(C(=O)NCCC2=CCCCC2)C1 533764425 ZOBPTAYYKXSKFD-HNNXBMFYSA-N 302.422 2.810 0 40 DFAB Cc1nc2c(s1)[C@H](OC(=O)c1cc(C(N)=O)cs1)CCC2 79037531 KMNRXXSHZYFOGL-SNVBAGLBSA-N 322.411 2.846 0 40 DFAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 72203034 XDQCQIZYGUPGPK-LLVKDONJSA-N 324.450 2.644 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)OCc2ccccc2Cl)o1 79038139 ZQBJAXORPGBCIJ-UHFFFAOYSA-N 314.746 2.694 0 40 DFAB COC(=O)c1cccc(NC(=S)NCCCOC(C)C)c1C 225375153 OEDLZOPUIIAQFK-UHFFFAOYSA-N 324.446 2.883 0 40 DFAB Cc1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cnn1 329915430 YJQJGUDHSYNXOB-UHFFFAOYSA-N 314.364 2.641 0 40 DFAB Cc1cc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)no1 81165145 XZNDNQVTNLNIJU-LLVKDONJSA-N 300.362 2.855 0 40 DFAB Cc1nc([C@@H](N[C@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 195558908 ODPUDWVLRJFUAR-GWCFXTLKSA-N 311.744 2.638 0 40 DFAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@H]1c1ccccc1 96405454 LSACDJJPIKPZDM-KBPBESRZSA-N 322.368 2.527 0 40 DFAB Cc1cnc2n1CCN(C)C21CCN(Cc2ccsc2)CC1 96036995 NZZUOOSYFPRLKJ-UHFFFAOYSA-N 316.474 2.690 0 40 DFAB Cc1noc(-c2nc(-c3ccccc3Br)no2)n1 98212322 VNICWKWOVIVSPB-UHFFFAOYSA-N 307.107 2.858 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1cc(Cl)cc2c1OCC2 97374288 DMKCJRPYTYMXAN-UHFFFAOYSA-N 320.776 2.739 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nn(C)cc21 96060386 IAAMFZQCXHOPBF-HNNXBMFYSA-N 315.417 2.565 0 40 DFAB Cn1cc(CN2C[C@H]3c4ccccc4[C@H](N4CCCC4)[C@H]3C2)cn1 96251702 UZMGWIKBBRGEJN-UFYCRDLUSA-N 322.456 2.786 0 40 DFAB CC1(CC(=O)NC2(c3ncon3)CCOCC2)CCCCC1 97378220 MPTUOIBOEIWJEY-UHFFFAOYSA-N 307.394 2.552 0 40 DFAB CC(C)N(C)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 97372845 VIPDWTAFMGGFOE-UHFFFAOYSA-N 320.368 2.858 0 40 DFAB COCCOC[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 96431814 DPJJMXKHGLWLFP-DGTBMVLOSA-N 321.461 2.714 0 40 DFAB Cc1csc(C(C)(C)NCC(=O)NCc2sccc2C)n1 96443394 MXBGHNIGZVDETJ-UHFFFAOYSA-N 323.487 2.963 0 40 DFAB C[C@H]1CCN(S(=O)(=O)Cc2ccon2)[C@H]1c1cccc(F)c1 247826644 JNCFVGGPXMASSP-XHDPSFHLSA-N 324.377 2.727 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2-c2ccnn2C(C)C)C1 257257456 KPQKNUMLCRWODY-CQSZACIVSA-N 313.405 2.647 0 40 DFAB O=C(c1cccnc1)N1CC[C@H](Oc2cccc3cccnc23)C1 252550561 STFZLVXSJHRGNB-INIZCTEOSA-N 319.364 2.923 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cc2ccsc2)C1 257217203 CXZSEQIXFJKHMI-CYBMUJFWSA-N 303.431 2.803 0 40 DFAB Cn1cc(-c2ccco2)nc1CCNC(=O)/C=C/c1ccco1 85471238 MAZDNXWYOCUPLG-VOTSOKGWSA-N 311.341 2.645 0 40 DFAB O=C(c1cc(F)ccc1F)N1CCO[C@@H](c2ccncc2)C1 257271907 NAHFXQYEYZYXOC-OAHLLOKOSA-N 304.296 2.574 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2CCCC[C@H]2C)n1 260740113 SSEOSZUPOZUIIW-GFCCVEGCSA-N 307.467 2.860 0 40 DFAB Nc1cc(Cl)ccc1-n1cc(C(=O)O)c(C(F)(F)F)n1 575441623 MAIIOJQTTMKOCJ-UHFFFAOYSA-N 305.643 2.825 0 40 DFAB Cc1cc(CN2CC[C@H](Cc3ccccc3C)[C@H](O)C2)no1 585279881 SCUIVRIOSJJQOD-SJLPKXTDSA-N 300.402 2.717 0 40 DFAB COCCOCc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 47591720 ZHFCIWMPDNYNGT-BBRMVZONSA-N 322.405 2.539 0 40 DFAB COC(=O)Nc1cccc(NC(=O)NCc2cccnc2)c1 47710734 BCTGDXYBCUIKAL-UHFFFAOYSA-N 300.318 2.582 0 40 DFAB CC(C)(O)CNC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 75238351 LKPVWBITVYSAON-SFHVURJKSA-N 324.424 2.678 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)N[C@@H](CCO)C2CC2)c1 76021536 IGDCINLIVOADME-INIZCTEOSA-N 305.422 2.814 0 40 DFAB C[C@@H](C[C@H](O)c1cccs1)NC(=O)CC1(O)CCCCC1 95434466 VBJZDDRIABNLFK-STQMWFEESA-N 311.447 2.762 0 40 DFAB COc1cccc(-c2ocnc2C(=O)NCc2cccnc2)c1 12144659 GNXRVHSJPKRFPA-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB Cc1cc(Cl)ccc1C(=O)N1CCC(n2ccnn2)CC1 163383246 KKPBQQXHDYRUTB-UHFFFAOYSA-N 304.781 2.717 0 40 DFAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 36420022 HWXBLJQKSJHSIJ-HEHGZKQESA-N 321.392 2.995 0 40 DFAB Cc1ccc2c(CSc3nncn3C)cc(=O)oc2c1C 3396637 JAQUTSQAPCOAID-UHFFFAOYSA-N 301.371 2.831 0 40 DFAB COC(=O)c1ccc(C(=O)OCc2ccc3c(c2)OCO3)cc1 4463263 PKOJZKXNHPZFIR-UHFFFAOYSA-N 314.293 2.559 0 40 DFAB O=c1c2cc(Br)ccc2ncn1Cc1ccccn1 31692674 WOCRIOMLADPRNZ-UHFFFAOYSA-N 316.158 2.602 0 40 DFAB O=C(Nc1ccccn1)C(O)(c1ccccc1)c1ccccc1 129413 FPZATYGKOVLDJF-UHFFFAOYSA-N 304.349 2.956 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1cc(C)ccn1)c1ccc(C)cc1 10430603 TZIPERXOYPSOSJ-MRXNPFEDSA-N 311.385 2.904 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc2c(c1)NC(=O)CO2 31736444 LFVLEOIUAGKHEU-NEPJUHHUSA-N 300.358 2.551 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)N1CCC(c2ccccc2)CC1 32470935 YWYPACDBQBYNEU-HNNXBMFYSA-N 322.474 2.985 0 40 DFAB Cc1[nH]c2ccccc2c1C1CCN(CC(=O)NC2CC2)CC1 52458233 DOQYHWYVGJQENZ-UHFFFAOYSA-N 311.429 2.934 0 40 DFAB NC(=O)Nc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 32904682 PSVSFKCMUNFUJH-UHFFFAOYSA-N 321.739 2.900 0 40 DFAB COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 21992974 DBMUXEJSBIDMQU-IBGZPJMESA-N 324.424 2.546 0 40 DFAB Cc1cc(OCC(N)=O)c2c(-c3ccccc3)cc(=O)oc2c1 526155 DXYUEDXIBRJSBU-UHFFFAOYSA-N 309.321 2.633 0 40 DFAB biogenic CCOC(=O)CC1=Nn2c(nnc2C2CCCCC2)SC1 3886405 FJDFNAAQHNGPSI-UHFFFAOYSA-N 308.407 2.589 0 40 DFAB O=C(NCc1cccnc1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4458544 WQJDSAQIXADWTR-HNNXBMFYSA-N 315.760 2.544 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1-n1cnnn1 12409199 WJJNWYAJNOBPAQ-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CC(C)CCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 42905835 XDVMPZSRIZHGOL-CQSZACIVSA-N 315.421 2.664 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)on1 57093426 NTMFUMQNVZDUMT-LBPRGKRZSA-N 302.378 2.742 0 40 DFAB O=C(Cn1cnc2cc(F)c(F)cc21)NCCc1cccs1 24427375 UCHPXYHOUUPUIE-UHFFFAOYSA-N 321.352 2.735 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100376659 YJDQQCHZOSGEJM-RTWAVKEYSA-N 323.270 2.538 0 40 DFAB COc1cc(CNC(=O)CCOc2cccc(C)c2C)ccn1 24859469 HUKXDTLOADSMGT-UHFFFAOYSA-N 314.385 2.792 0 40 DFAB COc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 9232383 SGXCLBHNXCGVBZ-ZDUSSCGKSA-N 312.369 2.554 0 40 DFAB C[C@@H]1CN([C@H](CNCc2ccccn2)c2cccs2)CCO1 106908644 PJUQATPPQCRFCU-GDBMZVCRSA-N 317.458 2.695 0 40 DFAB COc1cc(OC)cc(C(=O)Oc2ccc(C=O)cc2OC)c1 3223609 ITSFOEMPYJDTHJ-UHFFFAOYSA-N 316.309 2.744 0 40 DFAB Cn1cc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cn1 25309403 UQEVJCIZGJPMBX-UHFFFAOYSA-N 324.340 2.625 0 40 DFAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48275039 QBHNFCMESAHPLH-RYUDHWBXSA-N 305.378 2.595 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)cs1)C(C)C 24006257 CLMOSDZYCZYNSE-CYBMUJFWSA-N 321.402 2.811 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)C1 57279906 OCOVBJMNMFPHGV-SJCJKPOMSA-N 318.442 2.772 0 40 DFAB CCCN1C(=O)c2ccccc2N[C@]12C(=O)N(C)c1ccccc12 58185069 GWNJCKUDSYCARI-IBGZPJMESA-N 321.380 2.794 0 40 DFAB COCc1ccccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 58283562 FESOGIYEVSKLKI-OAHLLOKOSA-N 304.434 2.683 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)o1 58217751 JBGBIXKSLCLLAW-VWYCJHECSA-N 311.765 2.879 0 40 DFAB CN(Cc1ccsc1)C(=O)NC[C@H]1Cc2ccccc2O1 28405405 HCSBVJYOJHPMCH-CQSZACIVSA-N 302.399 2.893 0 40 DFAB CC(=O)Nc1cccc(NC(=O)NC[C@@](C)(O)CCC(C)C)c1 71921093 CEZDLHLCKLODBV-KRWDZBQOSA-N 321.421 2.954 0 40 DFAB CC[C@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)OC)CC1 175722300 OFSOWCXNPLIRAF-HNNXBMFYSA-N 319.401 2.564 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N1CCN2CCC[C@@H]2C1 27932590 DQYIVYNUJUOVAW-GFCCVEGCSA-N 309.797 2.661 0 40 DFAB COC(=O)c1cc(NC(=O)Cc2ccccc2)c(F)cc1F 12800257 MIDVHYIIPXBRFY-UHFFFAOYSA-N 305.280 2.933 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCO[C@H](c2ccc(F)cc2)C1 29117241 PQFAOMJUIAGVME-INIZCTEOSA-N 316.332 2.905 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccccc1 3525020 KIODPMBMXYMJLT-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB O=C(COC(=O)c1ccc2ccccc2c1)NCc1ccco1 3560417 ODFPQYDOFNLLMW-UHFFFAOYSA-N 309.321 2.906 0 40 DFAB O=C(O)C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 13167431 YAZWDPLWNONKCI-UHFFFAOYSA-N 319.376 2.961 0 40 DFAB Cc1ccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 22927692 IRUPNPVCSZGXMP-HZPDHXFCSA-N 319.449 2.594 0 40 DFAB CC(C)[C@@H](C(=O)Nc1ccccn1)n1cnc2ccccc2c1=O 5242020 YGCWGSRHTAJXIK-INIZCTEOSA-N 322.368 2.627 0 40 DFAB CCCc1sc(C(=O)N2CCCn3ncnc32)cc1CC 65465590 YAMBXYABJQPFSA-UHFFFAOYSA-N 304.419 2.905 0 40 DFAB Cc1cnc(C(=O)OCC(=O)Nc2cccc3ccccc23)cn1 6349098 FUEWGGGPAZRZDV-UHFFFAOYSA-N 321.336 2.734 0 40 DFAB O=C(Nc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 6551236 HVAOLXTWUXZCNZ-UHFFFAOYSA-N 311.309 2.935 0 40 DFAB Cc1cc(OCC(=O)N(C)C)c(C)c(C)c1Br 9190797 ZHHOCVDIXQKHRM-UHFFFAOYSA-N 300.196 2.841 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc2ccccc2[nH]1 6657659 NJVAHRFLZWCXMA-UHFFFAOYSA-N 323.352 2.955 0 40 DFAB CC(C)[C@@H]1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 14673585 DVZPYNHQPHDYJA-NSHDSACASA-N 300.280 2.782 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCc1cnn(C)c1C)[C@H](C)C2 96002206 XBLKIJSTJSYAQM-SJKOYZFVSA-N 312.417 2.770 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)c1cccs1 6887281 KYEQMFURWKVZIC-UHFFFAOYSA-N 324.789 2.779 0 40 DFAB Cc1cccc(CNC(=O)COC(=O)c2cc(F)ccc2F)c1 67198451 MRNUQLZEJIBDJW-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB COc1ccc2cc(C(=O)NCc3ccncc3)c(C)nc2c1 9322666 QDEDCFPHZUUYNJ-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB O=c1cc(CN2CCC[C@H]3CCCC[C@@H]32)nc2sccn12 7587581 VEBIQFVULOVVBY-OCCSQVGLSA-N 303.431 2.911 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68650727 CDAIOFMWOLYXKD-UJNFCWOMSA-N 316.184 2.775 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1C 9885493 MGOZUTPNEVSDSV-UHFFFAOYSA-N 314.385 2.741 0 40 DFAB COc1ccc(C)cc1CC(=O)NCc1nc2ccccc2[nH]1 16694326 GIBBAAQFRPKEFV-UHFFFAOYSA-N 309.369 2.739 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccco2)c1C 8197772 CCTRRDOYBZFFCE-GFCCVEGCSA-N 318.373 2.714 0 40 DFAB CC(C)n1c(CNC(=O)c2cccc3[nH]ccc23)n[nH]c1=S 81712230 ZJCUWKQCWOPXOY-UHFFFAOYSA-N 315.402 2.933 0 40 DFAB C[C@H](NC(=O)c1ccnc(F)c1)c1cccc(-n2ccnc2)c1 96432062 RVXSVUYFQPEDKX-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB CCCNC(=O)[C@H](C)N1CCC(Nc2ccc(C)cc2)CC1 69442831 ZVQAMJPNDCRQOR-HNNXBMFYSA-N 303.450 2.786 0 40 DFAB O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)NCC(F)(F)F 69591945 YWOADFCNOZULGP-CQSZACIVSA-N 318.314 2.935 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1C 17583998 KDRZFDXLZMSSCX-AWEZNQCLSA-N 309.369 2.690 0 40 DFAB CC(C)C(=O)NCCNC(=O)N[C@H](c1ccccc1)C1CCC1 69701588 NWLDBZFJQGYNLY-MRXNPFEDSA-N 317.433 2.599 0 40 DFAB OC[C@@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 97081884 NQAJXMLYUKMMPZ-CABCVRRESA-N 304.415 2.818 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(c1ccnc(C(C)(C)C)n1)CC2 97011945 YTMXJWUZSLLXEU-UONOGXRCSA-N 319.449 2.530 0 40 DFAB O[C@@H](CN1CCc2c(ncn2C2CC2)C1)c1ccc(F)cc1F 95373355 LXMJQCVXJCOSDA-KRWDZBQOSA-N 319.355 2.588 0 40 DFAB CC1(C)[C@@H](OC(=O)c2ccc(N3CCCC3)nc2)[C@@H]2CCO[C@H]21 97141517 PWHMKWPSSRTUNM-BMFZPTHFSA-N 316.401 2.652 0 40 DFAB C[C@H](NC[C@@H]1CCCn2ccnc21)c1nc(C(C)(C)C)no1 84667596 ZMFGRLDQTTYQSA-RYUDHWBXSA-N 303.410 2.792 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC=CCC3)C2)cc1 95466088 VMHIHMDTVFIWJW-QGZVFWFLSA-N 312.413 2.636 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN1C(=O)C1CC1 73720531 NBAHHMNYYCKQEQ-IAGOWNOFSA-N 312.413 2.581 0 40 DFAB COC[C@@H](C)Nc1cccc(NC(=O)CCN2CCCCC2)c1 95962411 ORFYZLDJYQWTMS-OAHLLOKOSA-N 319.449 2.948 0 40 DFAB O=C1CCCN1C[C@H](NC[C@H]1CCCCO1)c1ccccc1 95984437 WCHXUMXDFPTIPI-SJORKVTESA-N 302.418 2.509 0 40 DFAB CC1(CCNC(=O)NCc2ccc3ccccc3c2)OCCO1 95940336 RSDWHFLYEFGXDD-UHFFFAOYSA-N 314.385 2.792 0 40 DFAB COc1cccc2[nH]cc(CC(=O)N(C)[C@H](C)CSC)c12 95995220 DCLQGZMROBLXSF-LLVKDONJSA-N 306.431 2.929 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCOc3ccccc32)no1 76043372 XZJSQWJSOIWJCH-KBPBESRZSA-N 313.357 2.608 0 40 DFAB COc1ncccc1C(=O)Nc1nnc(-c2cc(C)oc2C)o1 56905031 JABNXYJPBCRUMQ-UHFFFAOYSA-N 314.301 2.602 0 40 DFAB CN(C)c1ccnc(CNc2nc(C3CC3)nc3[nH]ccc23)c1 1515991837 ZIBNXKHSVJAHDI-UHFFFAOYSA-N 308.389 2.908 0 40 DFAB CCOC(=O)CSc1nnc(C)n1-c1ccc(OCC)cc1 409107756 SYADGMMBBNTBBJ-UHFFFAOYSA-N 321.402 2.630 0 40 DFAB CCOc1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642383 RUZGASFWFLLFKM-UHFFFAOYSA-N 309.369 2.747 0 40 DFAB CCOC(=O)C1=NN(c2cc(Cl)ccc2C)[C@](C)(C(=O)O)C1 71979520 JNCJXUFTIPFWKO-HNNXBMFYSA-N 324.764 2.621 0 40 DFAB CCc1ncncc1C(=O)Nc1onc(C(F)(F)F)c1CC 567748160 MCNYVCBHXDIIBV-UHFFFAOYSA-N 314.267 2.861 0 40 DFAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 73269824 PWQVNYPRRVBHJV-LBPRGKRZSA-N 317.389 2.983 0 40 DFAB O=C(Cc1ccccc1F)NC[C@@H](O)c1ccccc1Cl 77631681 OZRGLRIYRSWBEU-OAHLLOKOSA-N 307.752 2.871 0 40 DFAB CC(C)[C@@H](C)S(=O)(=O)Cc1nccn1Cc1ccccc1 72915168 GWJXBLFKFNRIDP-CQSZACIVSA-N 306.431 2.891 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(Cl)cn2)C1 72202991 NOKMWZDSVCPYPZ-LLVKDONJSA-N 312.801 2.941 0 40 DFAB Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(Cl)cc2)on1 72395118 ACEOESZYTKUUDC-CZUORRHYSA-N 306.793 2.984 0 40 DFAB CO[C@]1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC[C@H](C)C1 225634075 XHGXSDMGGHGYBY-YVEFUNNKSA-N 321.373 2.684 0 40 DFAB Cc1ccc(CN2CCC(N(C)CCCO)CC2)cc1Cl 193959113 GQGIRMRJDGOMJT-UHFFFAOYSA-N 310.869 2.927 0 40 DFAB Cc1ccc(CSCC(=O)NCCCn2ccnc2)cc1 45162189 HAHJWKBODHJWJI-UHFFFAOYSA-N 303.431 2.631 0 40 DFAB COc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1C 224653495 AYGCGVXNMBHCBI-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225886711 CNLABAFQHBWMMA-TXEJJXNPSA-N 321.494 2.964 0 40 DFAB COC(=O)c1ccc(OC)c(NC(=O)Cc2ccc(F)cc2)c1 224740856 BCKPUTHHGDVGAF-UHFFFAOYSA-N 317.316 2.802 0 40 DFAB CCNC(=S)Nc1nc(OC)cc(Oc2ccccc2)n1 225881431 AIQQTDSHGLMZEI-UHFFFAOYSA-N 304.375 2.584 0 40 DFAB CCOC(=O)c1cc(N)n(-c2ccccc2OC(F)(F)F)n1 95094626 JJMUBMWPWHZIHF-UHFFFAOYSA-N 315.251 2.530 0 40 DFAB Cc1noc(C)c1N(C)S(=O)(=O)c1c(F)cccc1Cl 97380068 WIZBDODELFQFEH-UHFFFAOYSA-N 318.757 2.909 0 40 DFAB CCOCCNC(=O)Nc1cnn(-c2ccccc2Cl)c1 96422044 KMBJGSNDDWKCRC-UHFFFAOYSA-N 308.769 2.684 0 40 DFAB CO[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1ccncc1 96200746 GCELAXSMZDCKEJ-HOTGVXAUSA-N 316.426 2.544 0 40 DFAB c1ccc(OC[C@@]23CCCO[C@@H]2CCN(CC2CC2)C3)nc1 96057083 DBSSLVAYWJDCEV-AEFFLSMTSA-N 302.418 2.742 0 40 DFAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cnccn1 96412193 HUGNKRSEKOSQBN-IINYFYTJSA-N 305.765 2.636 0 40 DFAB Cc1cc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c(C)cn1 252508045 XBAUXFCNQVFYBP-UHFFFAOYSA-N 320.437 2.761 0 40 DFAB O=C(Cc1cccnc1)N1CCC(c2cccc3nccn23)CC1 257293126 QOFSSORTELYVRC-UHFFFAOYSA-N 320.396 2.678 0 40 DFAB C[C@H](NCc1ccnn1C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 183704774 SYLQBWGYHNFEFT-ZFWWWQNUSA-N 322.453 2.688 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)Cc3ccc(C)s3)C2)n1 257332331 XWUQFQZVTBQJPB-ZDUSSCGKSA-N 301.415 2.714 0 40 DFAB CCCN(CCC)c1nn(-c2ccccc2F)nc1C(=O)O 256047100 KISHPJVCUDXPBT-UHFFFAOYSA-N 306.341 2.731 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)cs1 257307359 SYHRHCKVDYEQPB-UMVBOHGHSA-N 319.430 2.562 0 40 DFAB c1cnc2ccc(C[C@@H]3COCCN(Cc4ncc[nH]4)C3)cc2c1 257307448 SYRDJHFRJPCGNQ-INIZCTEOSA-N 322.412 2.649 0 40 DFAB Cc1cn[nH]c1[C@H]1COCCN1Cc1c[nH]nc1-c1ccccc1 257208266 BLKBLDKJBFTXCO-MRXNPFEDSA-N 323.400 2.682 0 40 DFAB C[C@@H]1Cc2cc(S(=O)(=O)N(C)c3cccc(O)c3)ccc2O1 71914650 LLONAGWTCFUYEB-LLVKDONJSA-N 319.382 2.541 0 40 DFAB O=C(Nc1nncs1)C1(c2cccc(Cl)c2)CCOCC1 56080651 NGKJGTFLCLUVQG-UHFFFAOYSA-N 323.805 2.878 0 40 DFAB CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc3ccccc3o2)C1 90410815 VSGKLYJEPBSIMP-TZMCWYRMSA-N 301.390 2.887 0 40 DFAB c1ccc(CCCn2ccnc2CN[C@@H]2CCN(C3CC3)C2)cc1 95423650 UCAYGCXOGXSZGC-GOSISDBHSA-N 324.472 2.842 0 40 DFAB COC(=O)C[C@H](C)NC(=O)Nc1ccc(Br)cc1 96454945 ICGSXHJEFCHIKR-QMMMGPOBSA-N 315.167 2.522 0 40 DFAB COc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1OC 3207079 LZSPWFSFTBFXLN-JLHYYAGUSA-N 300.358 2.859 0 40 DFAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@@H]1CCCC[C@H]1C 6012374 YRVUYMPRNKRDFL-GQRJPGBNSA-N 305.374 2.919 0 40 DFAB COc1cccc([C@@H]2c3c(noc3C)C[C@@](C)(O)[C@@H]2C(C)=O)c1 5274335 TYPCQOQQNFKMIN-KZNAEPCWSA-N 315.369 2.636 0 40 DFAB Cc1ccc(OCCN2CCn3c2nc2ccccc2c3=O)cc1 13362384 VAIMXZZVCLRLTJ-UHFFFAOYSA-N 321.380 2.604 0 40 DFAB C[C@@H](NC(=O)COc1ccccc1)c1nc(-c2ccccc2)no1 13495444 FHNIZBPJEBAFFW-CYBMUJFWSA-N 323.352 2.993 0 40 DFAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1OC 13948932 ZPXBXNHDSMREOC-UHFFFAOYSA-N 313.419 2.562 0 40 DFAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccccc1 14009121 GAERMKJGTMNLPX-UHFFFAOYSA-N 312.369 2.842 0 40 DFAB Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1C 14199574 MQNRYKOBBHDGBJ-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB COc1ccc(/C=C(/CCCOC(C)=O)[N+](=O)[O-])cc1OC 17421111 AQHFPDAQGNZFJD-LCYFTJDESA-N 309.318 2.665 0 40 DFAB COc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1OC 19561007 BKIAIVYJUSRCMP-HNNXBMFYSA-N 313.401 2.873 0 40 DFAB CO[C@@H](CNC(=O)C1CCOCC1)c1cc2ccccc2o1 618255806 JFGLDPJFTWVTGH-INIZCTEOSA-N 303.358 2.663 0 40 DFAB CC[C@H](C(=O)N(C)C1CN(c2ccccn2)C1)c1ccccc1 1888866692 KVDKBEVIQDDDOH-KRWDZBQOSA-N 309.413 2.922 0 40 DFAB O=C(NCCn1ccc2ccoc2c1=O)c1cc2ccccc2[nH]1 245070477 QLJVKKCIMLCTEB-UHFFFAOYSA-N 321.336 2.506 0 40 DFAB Cc1cc(C)cc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 4504377 SMXORKZEGVTQBL-INIZCTEOSA-N 323.458 2.589 0 40 DFAB O=C(/C=C/c1ccco1)NCC1CCN(c2ccccn2)CC1 43975404 XQUSPSKMILQNQN-VOTSOKGWSA-N 311.385 2.721 0 40 DFAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 17322920 QIHBWVVVRYYYRO-CYBMUJFWSA-N 321.380 2.733 0 40 DFAB in-vitro Fc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1 49405276 RTFAPILODBYWBU-UHFFFAOYSA-N 323.287 2.912 0 40 DFAB O=C(O)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 20135941 WESBRVLWAJIVSP-KRWDZBQOSA-N 314.360 2.774 0 40 DFAB COc1ccc(CN(C)C(=O)c2scnc2C)cc1OC 40529148 XHXVPTAUPKCQDF-UHFFFAOYSA-N 306.387 2.741 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1 211003 UEAZOKNNUSCPBI-UHFFFAOYSA-N 308.341 2.801 0 40 DFAB Cc1ccccc1CCNC(=O)Cn1ccc(C(F)(F)F)n1 32498725 UNRFCWDOEVPKHA-UHFFFAOYSA-N 311.307 2.569 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccc2ccccc2n1 350417 FCTSCQWINCYDHQ-LLVKDONJSA-N 319.575 2.653 0 40 DFAB COC(=O)c1cccc2c1CCCN2Cc1ccc(C(N)=O)cc1 53053873 JMBPCNLAXWSUQC-UHFFFAOYSA-N 324.380 2.525 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(F)c1F 78898589 IYTWIVRGUDROOB-XHDPSFHLSA-N 308.372 2.701 0 40 DFAB CC1(C)Cc2cccc(OCCNC(=O)c3ccoc3)c2O1 24450505 PWDFIPYFLFYXII-UHFFFAOYSA-N 301.342 2.802 0 40 DFAB COC(=O)c1ccccc1NCC(=O)N1c2ccccc2C[C@H]1C 12537039 FJFJTLHSWZNXQI-CYBMUJFWSA-N 324.380 2.863 0 40 DFAB O=C(Nc1cccc(-n2cnnn2)c1)C1(c2ccccc2)CCC1 25320932 XGFYKPARBLMZBC-UHFFFAOYSA-N 319.368 2.723 0 40 DFAB O=C(O)C12C[C@H]3C[C@@H](CC(I)(C3)C1)C2 100440846 VMCNPOBDWYHJAP-YJTAMFCSSA-N 306.143 2.845 0 40 DFAB O=C(NCC1CCC1)C1CCN(c2nc3ccccc3o2)CC1 26142230 WGWJAQOBFXXHQA-UHFFFAOYSA-N 313.401 2.961 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 58151980 RIBHBENGHPGPRE-UHFFFAOYSA-N 320.389 2.882 0 40 DFAB CCCSCC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58323801 IANYRNQPTKKLBE-AWEZNQCLSA-N 322.474 2.781 0 40 DFAB C[C@@H]1CCCCN1CCCCNC(=O)/C=C/c1ccncc1 58419867 RJXKKQRHJGTCAE-KXPUMZMLSA-N 301.434 2.866 0 40 DFAB C=CC(=O)Oc1cccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 100496735 IAAKDUGHWAPNAF-HUUCEWRRSA-N 311.337 2.624 0 40 DFAB Cc1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)n(C)n1 58779708 SZDGXEFPKGMYEW-UHFFFAOYSA-N 308.313 2.869 0 40 DFAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)o1 3388782 QAHAHTYTYONJLX-UHFFFAOYSA-N 300.358 2.985 0 40 DFAB CC[C@@H](C)NC(=O)CCNCc1ccc(OC(F)F)cc1 37997085 KMUGJNMVXKOKOR-LLVKDONJSA-N 300.349 2.682 0 40 DFAB O=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccncc1)C1CC1 48325808 YRZXGWYPVCSUPJ-UHFFFAOYSA-N 324.352 2.713 0 40 DFAB Cc1ncc(C(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)s1 72295546 SMGKNBYHPDWCOU-JTQLQIEISA-N 315.398 2.711 0 40 DFAB CC(C)(C)c1n[nH]cc1CNC[C@@H](O)c1ccc(F)cc1F 97159225 JGVUJBXPFLOAAO-CQSZACIVSA-N 309.360 2.809 0 40 DFAB O=C(CCc1ccc(F)c(F)c1)Nc1ccc2oc(=O)[nH]c2c1 29239451 AWHRWIBMBAPYKI-UHFFFAOYSA-N 318.279 2.971 0 40 DFAB O=C(Nc1nc(Cc2ccccc2)cs1)N1CCC[C@@H](O)C1 97107742 AKVKCYXOVJLCLL-CQSZACIVSA-N 317.414 2.723 0 40 DFAB Cc1sc2ncnc(NCCCN3CCCC3=O)c2c1C 3455733 SEBLKXJVKCMRHF-UHFFFAOYSA-N 304.419 2.733 0 40 DFAB Cc1csc(NC(=O)c2cccc(CN3CCCC3=O)c2)n1 12971715 CJZYJSVLFMANRB-UHFFFAOYSA-N 315.398 2.826 0 40 DFAB CC(C)NC(=O)CCNC(=O)[C@@H](Sc1ccccc1)C(C)C 71185405 WVGCFKXYRHWQTJ-INIZCTEOSA-N 322.474 2.834 0 40 DFAB COc1cc2c(cc1OC)[C@@H]1CCC3=C([C@H](C)OC3=O)N1CC2 4028295 BTYBADZGKGWDHC-HZMBPMFUSA-N 315.369 2.596 0 40 DFAB biogenic COC[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 65413976 MLAMIGGMTUGZRU-LBPRGKRZSA-N 317.389 2.752 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1cc(F)c(F)cc1Cl 65475051 BHQPPAHKLVDFIN-QMMMGPOBSA-N 311.719 2.560 0 40 DFAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCc4nccn4C3)on2)cc1 65465683 WGHLTFNARCUTSW-CQSZACIVSA-N 322.368 2.591 0 40 DFAB O=C(O)C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCCC1 4487227 VWXKCNXFPMJERX-CQSZACIVSA-N 324.808 2.998 0 40 DFAB CCOCc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2)s1 4510373 NLTDNDLUSMNFPP-GFCCVEGCSA-N 321.402 2.871 0 40 DFAB COC(=O)[C@@H]1C[C@@H](Oc2cc(C)c(Cl)c(C)c2Cl)CN1 19735854 ILLSBEGHCONTKT-ZJUUUORDSA-N 318.200 2.893 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)CSc2nnc(N)s2)cc1C 5636386 WCTFLHBQKWACQF-SNVBAGLBSA-N 322.459 2.707 0 40 DFAB Cc1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)cc1C 5631098 WWLJJXJHNUYMJO-INIZCTEOSA-N 311.381 2.802 0 40 DFAB C[C@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccccc1 6839836 UIWSYOMZRHRSMW-ZDUSSCGKSA-N 315.344 2.789 0 40 DFAB NC(=O)NC(=O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccccc1 7242591 YHAMWDFRLHXMHG-INIZCTEOSA-N 309.369 2.523 0 40 DFAB O=C(COC(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 7785250 PFNIGXLDFILLAH-UHFFFAOYSA-N 319.700 2.503 0 40 DFAB Cc1cccc2nc(CNc3ccc(C(=O)NC4CC4)cn3)cn12 68772227 XWTPPAMQCCABAU-UHFFFAOYSA-N 321.384 2.542 0 40 DFAB O=C(NCCc1ccccc1F)c1ccc2c(c1)OCCO2 7987851 BBDGFZNYUFZNHK-UHFFFAOYSA-N 301.317 2.569 0 40 DFAB Cc1ccc(NC(=O)COc2nnc3ccccn23)c(Cl)c1 8224812 YGLTVMOUGUQXFG-UHFFFAOYSA-N 316.748 2.709 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc3cc[nH]c3c1)C2 70040195 SNEILQAUCBTYCR-UHFFFAOYSA-N 321.384 2.588 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(F)c(F)c2)c1 70019841 SKDGCCPIXJGXEL-ZDUSSCGKSA-N 305.328 2.775 0 40 DFAB CCn1ccnc1CN1CCN(Cc2ccc(Cl)s2)CC1 69371129 YPQGEBCHIAENNB-UHFFFAOYSA-N 324.881 2.936 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)c1 69415605 IAHBRBDBTFLRSL-CQSZACIVSA-N 324.384 2.739 0 40 DFAB O=C(NCCn1ccnc1)N1C[C@H]2CCCC[C@@]21c1ccccc1 91531760 CDIYBKBJRDATLJ-IEBWSBKVSA-N 324.428 2.994 0 40 DFAB Cn1c(C(=O)N2CCN3CCCC[C@H]3C2)cc(Cl)c1Cl 71839805 YZBCCKPVBHOBET-JTQLQIEISA-N 316.232 2.642 0 40 DFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccncc1 17585713 CTSZDAQQCRDEEW-UHFFFAOYSA-N 324.167 2.757 0 40 DFAB O=C(CN1CCc2ccccc2C1)Nc1cccc2nsnc12 19077120 UWGXMXPLEZCQSV-UHFFFAOYSA-N 324.409 2.688 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1C 28577390 HXMRMOYWDPTUBF-UHFFFAOYSA-N 307.419 2.937 0 40 DFAB Cc1ocnc1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 95441572 NCCQAGFTTJPRQL-UHFFFAOYSA-N 323.755 2.738 0 40 DFAB COC(=O)[C@@H]1CCCCN1Cc1nc(C(F)(F)F)cs1 95433711 QBTFCNWOKWKORX-QMMMGPOBSA-N 308.325 2.689 0 40 DFAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(C2CCCCC2)n[nH]1 95976143 HKFPIYGHTJEDJH-CHWSQXEVSA-N 319.405 2.529 0 40 DFAB Cc1ccc(CCC(=O)N2CCCN2C(=O)OC(C)(C)C)o1 95979764 BRTUDVGDEGKEKO-UHFFFAOYSA-N 308.378 2.905 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CC1 89598337 FYOQYIWQLRLJCZ-GXFFZTMASA-N 313.850 2.600 0 40 DFAB COc1cccc(OC)c1C(=O)NC[C@@H](C)c1c(C)noc1C 89526271 GVXXEHDUFCAREH-SNVBAGLBSA-N 318.373 2.842 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1C 89502463 YYUMUQXDEXYLCP-MAZHCROVSA-N 316.401 2.522 0 40 DFAB COc1ccc([C@@H](NC(=O)c2ccc(C)[nH]c2=O)C2CC2)cc1 75118629 JVUGCTGEQDINLY-INIZCTEOSA-N 312.369 2.573 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)c2cn(-c3ccccc3)nn2)n1 89600609 IKMMYZFSHBGVAQ-NSHDSACASA-N 312.402 2.801 0 40 DFAB CC(=O)NCCCNc1ccc2cc(Br)ccc2n1 89962627 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COC[C@H](C)NC(=O)Nc1ccc(OC)c(Br)c1 79028905 LEJVBULRLZCLPS-QMMMGPOBSA-N 317.183 2.614 0 40 DFAB Cc1ccc(OCc2ncc(C(=O)O)c(N3CCCC3)n2)cc1 49469077 SYVHPSLMWYFDFN-UHFFFAOYSA-N 313.357 2.662 0 40 DFAB OCC1CCN(Cc2cccc(NCc3cccnc3)c2)CC1 86258097 YISAHIYQQPGURT-UHFFFAOYSA-N 311.429 2.898 0 40 DFAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)O 195542066 FQFJLBRFLWVQNY-GGZOMVNGSA-N 315.291 2.646 0 40 DFAB CCc1c(C(F)(F)F)noc1NC(=O)[C@@H](C)c1cnn(C)c1 576380332 NOPCPKFQAGFBJJ-ZETCQYMHSA-N 316.283 2.732 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 226390392 HFWAHWIOXYPHKM-FLMUCADWSA-N 322.408 2.726 0 40 DFAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCSc2c(F)cccc21 81478536 QZBKOQQGWLVMCL-MISXGVKJSA-N 322.405 2.599 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CC1(Cl)Cl 96431666 HCMJGABDRWYLNH-ZJUUUORDSA-N 318.200 2.773 0 40 DFAB O=c1ccc(C(F)(F)F)nn1Cc1coc(-c2ccccc2)n1 95437171 CTPLAAAUVMEKKJ-UHFFFAOYSA-N 321.258 2.965 0 40 DFAB CO[C@]1(CNC(=O)c2ccc3ncsc3c2)CCSC1 96120682 RWTPUJJOFXVIRX-AWEZNQCLSA-N 308.428 2.548 0 40 DFAB Cc1ccccc1Cc1noc(CN2CCCc3n[nH]cc32)n1 581187173 HAPGSGPMDIKCJZ-UHFFFAOYSA-N 309.373 2.645 0 40 DFAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1ccccc1 96405457 LSACDJJPIKPZDM-ZIAGYGMSSA-N 322.368 2.527 0 40 DFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)[C@@H]1COc2ccccc21 95396701 LAJXDLBNZBFZQI-ZBFHGGJFSA-N 313.401 2.590 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NCc2cccc(Cl)c2)c1 339549745 VVIMHIPLOPSGDA-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB CN(Cc1cnccn1)C(=O)Nc1ccnn1C1CCCCC1 96410621 JZYQDAJIKXIUDF-UHFFFAOYSA-N 314.393 2.842 0 40 DFAB CCN1CCc2ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc21 96434609 LJMZJDRVZZQYNF-CYBMUJFWSA-N 319.449 2.988 0 40 DFAB CCc1n[nH]c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)c1C 257339509 ZCAHOLLQBXZOLL-YJBOKZPZSA-N 318.465 2.760 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)c3cnc(C)nc3C)CC[C@@]2(C)C1 257219529 DHCLNPZBGVLURN-UNEWFSDZSA-N 303.406 2.513 0 40 DFAB CNc1cc(C)nc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)c1 257306410 SUEQAHDTIOKZQP-KRWDZBQOSA-N 317.433 2.912 0 40 DFAB O=C(O)C1(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 262169131 DCNBCHOXUPCPCO-MWLCHTKSSA-N 313.275 2.542 0 40 DFAB Cn1ccc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)n1 575410817 KDYZJSZNIORCSO-UHFFFAOYSA-N 306.325 2.825 0 40 DFAB c1csc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)no2)c1 69508633 HCPJNXINPBAUMH-NSHDSACASA-N 305.403 2.799 0 40 DFAB CC(C)NC(=O)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 31652991 PAIHKUBVDALAHE-HNNXBMFYSA-N 302.399 2.678 0 40 DFAB Cc1ccc(C(=O)NCc2nc(-c3cccnc3)no2)cc1C 32814728 CJOCFGIZMZMGIR-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB CO[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 76244768 MTAVVROLHVRUJJ-HNNXBMFYSA-N 319.792 2.777 0 40 DFAB CC(C)[C@H](NC(=O)NCC(C)(C)C[C@H](C)O)c1ccncc1 96440291 CLIWFZJJSDGSIS-ZFWWWQNUSA-N 307.438 2.875 0 40 DFAB COC(=O)c1ccc(OC(C)C)c(NC2CCN(C)CC2)c1 97378240 CBBXHCDUQIRDSV-UHFFFAOYSA-N 306.406 2.767 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 105851425 QVBDMJNQUDKVRJ-ZDUSSCGKSA-N 323.400 2.799 0 40 DFAB CC(=O)CCc1ccc(OCC(=O)Nc2cc(C)on2)cc1 5347926 CWOVMRXKBSJSBR-UHFFFAOYSA-N 302.330 2.522 0 40 DFAB COc1ccc(C(=O)O)c(OCC(=O)Nc2cccc(C)c2)c1 13084028 UURZAUZIRIIHDS-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccn1 17055183 BQMWAPVGRQMYNB-MRXNPFEDSA-N 320.352 2.893 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C1N2CCCN1CC2 19324640 KINBMVUDTOIKNK-UHFFFAOYSA-N 302.809 2.854 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)c1ncnc2c1CCCC2 1888843533 ODNRLLOCRBOXSU-UHFFFAOYSA-N 300.387 2.942 0 40 DFAB CSc1nc(C(C)(C)C)cc(=NCCCn2ccnc2)[nH]1 1888869644 CJLMLGQQFLOSFL-UHFFFAOYSA-N 305.451 2.617 0 40 DFAB Cc1cccc2sc(NC(=O)c3ccc4nnc(C)n4n3)nc12 1888909514 MTHROBFSSGFZIP-UHFFFAOYSA-N 324.369 2.603 0 40 DFAB Cc1ccc(OCC2(O)CCN(C(=O)C3CCC3)CC2)cc1C 2037916064 LKQSXUBJKBYKAD-UHFFFAOYSA-N 317.429 2.836 0 40 DFAB CN(C)[C@@H]1CCOC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)C1 1565545397 HOYULJOBKPCXIY-AEFFLSMTSA-N 320.477 2.835 0 40 DFAB C[C@H]1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 5115973 QOAXSEARPHDXFC-JTQLQIEISA-N 320.352 2.796 0 40 DFAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100123694 FGBXCVAUZMVXQU-LUVWLHFXSA-N 320.392 2.826 0 40 DFAB CCc1noc(CN(Cc2cccs2)C[C@@H]2CCCO2)n1 40489623 FCFFKTBGMVUKDJ-LBPRGKRZSA-N 307.419 2.875 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1 342802 ZTDCTJUZGGSFPH-QGZVFWFLSA-N 322.408 2.707 0 40 DFAB CCC[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 373051 MHQKWHLGEYGDPG-SNVBAGLBSA-N 307.346 2.635 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c(C)c1 33047678 HXJJGFHIQCIRLK-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1cc(NC(C)=O)c([C@@H](O)c2ccccc2)cc1OC 507571 YQHJCSXALXAEHK-KRWDZBQOSA-N 301.342 2.744 0 40 DFAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C)N1C(C)=O 47091 CCKPGZKAZFRFHP-MEBBXXQBSA-N 300.358 2.565 0 40 DFAB NC(=O)c1cc(N2CCOc3ccccc3C2)nc2ccccc12 76874526 AYMPOHZZBZNEOT-UHFFFAOYSA-N 319.364 2.733 0 40 DFAB O=C(c1ccco1)N1CCC(C(=O)N2CCCCCCC2)CC1 61197724 BGBDTTMDWWFGOV-UHFFFAOYSA-N 318.417 2.925 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc([S@](C)=O)cc1 47009832 NQBOFHVMVPFCOG-GGRMYQCBSA-N 323.458 2.749 0 40 DFAB COCc1c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)oc2ccccc12 53375671 DDTKQSFYYHKMQJ-GOEBONIOSA-N 315.369 2.973 0 40 DFAB CCN1CCC[C@@H](NC(=O)CCC(=O)c2ccc(C)s2)C1 78648493 FXOBHRUFJDKEPW-CYBMUJFWSA-N 308.447 2.620 0 40 DFAB COc1ccc2c(c1)CCC1=C2CC[C@H](C(=O)O)[C@]1(C)C(=O)O 1644686 GUWQXSOYJZJBPE-CRAIPNDOSA-N 316.353 2.981 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1 807535 ZRDDSRBBKCQCIO-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC(C)CN1CCC(NC(=O)[C@H](C)Oc2cccc(F)c2)CC1 42393793 IFRIWQRMEFYQQE-AWEZNQCLSA-N 322.424 2.830 0 40 DFAB O=C(NCCc1ccc(O)cc1)C1=NO[C@@H](c2ccccc2)C1 55319530 FACVZWUDCCDXGD-QGZVFWFLSA-N 310.353 2.569 0 40 DFAB CCC(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3)CC2)c1 1395666 HBVMKMOKFYUBFX-UHFFFAOYSA-N 311.385 2.570 0 40 DFAB O=C(CCc1cccc(F)c1)Nc1ccc(-n2ccnc2)nc1 24904929 XAVSHQIKULWEFB-UHFFFAOYSA-N 310.332 2.978 0 40 DFAB Cc1nc(CN2CCN(Cc3nc(C)c(C)o3)[C@@H](C)C2)oc1C 106830351 DYSNZTGLZUPWSC-NSHDSACASA-N 318.421 2.603 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106837808 CKARBKHCSAUSET-YQQAZPJKSA-N 300.402 2.740 0 40 DFAB CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 25286606 JUAZOKXXHLLZDW-IBGZPJMESA-N 323.396 2.543 0 40 DFAB Cc1cccc(N(C)C(=O)C2CCN(C(=O)C3CC3)CC2)c1C 55896616 OOGRVXHAFOATQS-UHFFFAOYSA-N 314.429 2.915 0 40 DFAB O=C(CCCCCC(=O)N1C[C@H]2CC[C@H]1C2)N1C[C@H]2CC[C@H]1C2 107496990 MKXRNSWNPFWMPS-QAETUUGQSA-N 318.461 2.959 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1 107504720 FIYVQIPPJVXJBH-MRVWCRGKSA-N 322.453 2.665 0 40 DFAB Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@H]2C3)N2CCCC2)o1 107578002 MMORBWUVDUACID-JYJNAYRXSA-N 317.433 2.919 0 40 DFAB Cc1ccc(O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 12534786 FWGGAKLGIJEAJC-UHFFFAOYSA-N 314.360 2.802 0 40 DFAB COc1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1 20134559 RGZACTQDLQTITG-UHFFFAOYSA-N 319.162 2.774 0 40 DFAB NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3241052 MPGWBRCEOMJCIT-UHFFFAOYSA-N 312.350 2.605 0 40 DFAB Cn1cc(CCOc2ccc(Br)cc2C=O)cn1 71911282 LICUIGJCPYEGFD-UHFFFAOYSA-N 309.163 2.617 0 40 DFAB C[C@H]1SCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]1C 71911150 DURHAQDFGAYOAC-GHMZBOCLSA-N 323.849 2.674 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc(C)cc1OC 54363323 XCJDTNAPNQNIEA-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 27225424 UDOXBPQXLLKBEI-UHFFFAOYSA-N 303.749 2.689 0 40 DFAB O=C(N[C@@H]1CCN(C2CC2)C1)C1(c2cccc(Cl)c2)CC1 58167084 PKQQPPIWOGXAKE-CQSZACIVSA-N 304.821 2.725 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCNC3=O)cc2)o1 48234603 SEIYQDFEMKWRDV-GFCCVEGCSA-N 313.357 2.609 0 40 DFAB O=C1[C@H]2N=NC[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 101310303 JFJCDDYILLBPRB-MUWHJKNJSA-N 317.654 2.683 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2C)no1 58279315 ZVQCFIOIQMYAMK-XUSGNXJCSA-N 306.387 2.567 0 40 DFAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 44911588 KNHZAKDXXYTXTQ-JTQLQIEISA-N 322.771 2.627 0 40 DFAB Cc1cc(S[C@H](C)c2nnnn2-c2ccccc2)nc(C)n1 44966006 PTHJUCXMXGJZIW-LLVKDONJSA-N 312.402 2.922 0 40 DFAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 44940074 ZFVJKGMNPQQXMW-OCCSQVGLSA-N 305.374 2.594 0 40 DFAB COc1ccc(Br)cc1CNC(=O)[C@@H](C)SC 58342540 WEFQBYFKKCVTTQ-MRVPVSSYSA-N 318.236 2.825 0 40 DFAB COCCCC(=O)NCc1cc(Br)ccc1OC 58330142 GCUWRNRAAAKWEC-UHFFFAOYSA-N 316.195 2.501 0 40 DFAB Cc1cc(NC(=S)NC(=O)CCC(C)C)cc(C(=O)O)c1O 20151346 JPKMVNARGDJRFN-UHFFFAOYSA-N 324.402 2.648 0 40 DFAB COc1cc(NC(=O)c2ccoc2C)ccc1N1CCCC1=O 11446790 VUMLWNPVBIXEFV-UHFFFAOYSA-N 314.341 2.976 0 40 DFAB CCc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1 45787418 TZYQTBAHTIHSQR-UHFFFAOYSA-N 315.442 2.664 0 40 DFAB O=C(COC(=O)c1ccccc1Cl)NCc1cccs1 3507172 OBEVGPQFGGRJSP-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB CN(CCOc1ccccc1F)CC(=O)NC1CCCCC1 12930218 JSIDSADECDARSU-UHFFFAOYSA-N 308.397 2.585 0 40 DFAB CN(CCOCc1ccccc1)c1nc(O)c2ccccc2n1 301619004 WVGYHEWZTPTKAG-UHFFFAOYSA-N 309.369 2.988 0 40 DFAB COc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCCC1 63813229 GNCHEPBKXRYKGS-CQSZACIVSA-N 303.406 2.787 0 40 DFAB COc1ccc2cc(NC(=O)NCc3ccccn3)ccc2n1 171279245 QSSLQSRCFJSPPW-UHFFFAOYSA-N 308.341 2.960 0 40 DFAB CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C1CCCCC1 65593721 LKXKBLAZVCYDNV-WFASDCNBSA-N 306.406 2.873 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)Nc2ccccc2)C[C@@H](C)O1 14142055 VMHCJTNEPCAVMQ-OKILXGFUSA-N 305.422 2.696 0 40 DFAB CCCC[C@H]1c2c(n(CCC)c(=O)[nH]c2=O)N[C@@H]1C(F)(F)F 6429767 HUWLCCYVIZSBLU-WPRPVWTQSA-N 319.327 2.577 0 40 DFAB O=c1c(C(F)(F)F)cc(C2CC2)nn1C[C@@H](O)c1ccccc1 71817329 NJUGBFIBBLBKRP-CQSZACIVSA-N 324.302 2.873 0 40 DFAB COc1cccc([C@@H]2CCCN2c2ncnc3c2cnn3C)c1 14322858 BUIHZRLGOQOZRZ-HNNXBMFYSA-N 309.373 2.713 0 40 DFAB COc1cccc(C2(C(=O)N3CC[C@@H]([C@H](C)O)C3)CCCC2)c1 96004210 JESDXVWKDYHRBN-LSDHHAIUSA-N 317.429 2.736 0 40 DFAB CCC(=O)Nc1ccc(C(=O)CSc2nccn2C)cc1 4804667 KUJQHHJIRHAEGK-UHFFFAOYSA-N 303.387 2.744 0 40 DFAB COc1c(Br)cccc1CN[C@@H]1CCO[C@H]1C 90230348 GMQJRRJKIDCUPS-JOYOIKCWSA-N 300.196 2.725 0 40 DFAB CC[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 7318832 LXRZTXGTBIXPCG-JTQLQIEISA-N 324.837 2.928 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 71870012 BILYSFBLPKXWDD-AWEZNQCLSA-N 323.400 2.681 0 40 DFAB COc1ccc(-c2ccc(CNC(=O)[C@H]3CCCN3)s2)cc1 80956486 YGTBBVLIYMRFMY-OAHLLOKOSA-N 316.426 2.792 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)cc1 7895897 GYFWYMOYVHJXGU-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CN1CCCN(C(=O)c2ccccn2)c2nc3ccccc3nc21 9482895 REEBBFJZDABVCC-UHFFFAOYSA-N 319.368 2.512 0 40 DFAB O=C(Nc1cccc2nsnc12)c1cccc(-n2cnnc2)c1 16400033 SGALHSOUPZPJKW-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB COc1cc2c(cc1OC)CN([C@@H](C)c1nc(C)no1)CC2 71797372 JEWNCQWIPYSFIW-JTQLQIEISA-N 303.362 2.515 0 40 DFAB CC(C)c1nnc(NC(=O)[C@@H]2COc3ccccc3C2)s1 16966019 YRAGXLZKFZOVOA-NSHDSACASA-N 303.387 2.851 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)c1ccccc1Cl 69663196 FRDXAVGWDYHAAX-UHFFFAOYSA-N 318.760 2.961 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)c1cc3c(s1)CCC3)C2 69842903 LABDSNLMORBADR-UHFFFAOYSA-N 316.430 2.608 0 40 DFAB Cc1ccccc1-c1noc(CN[C@H](C)[C@@H](C)n2cccn2)n1 69973149 HOJAJJJBYRNJLI-ZIAGYGMSSA-N 311.389 2.981 0 40 DFAB C[C@@H]1OCC[C@@H]1C(=O)NCC1(N2CCCCC2)CCCCC1 92212826 FYTGUYNVQSJCLT-HOTGVXAUSA-N 308.466 2.716 0 40 DFAB Cc1oc(CNC(=O)c2scnc2C(C)(C)C)cc1C(=O)O 97035913 WXRQTUZUZQYBME-UHFFFAOYSA-N 322.386 2.970 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)NC1(C)CCOCC1 97045786 PSGIGXZVGVAJHF-UHFFFAOYSA-N 318.421 2.681 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cscn1)c1cccc(Cl)c1 97036526 XUPNZILJARWQEO-SNVBAGLBSA-N 310.762 2.742 0 40 DFAB CNC(=O)c1cccc(N[C@H](C)CC(=O)N2CCCCCC2)c1 97045795 NWYPFQATTAYCBO-CQSZACIVSA-N 317.433 2.639 0 40 DFAB COc1cc(C(=O)N2CCC([C@H](C)O)CC2)ccc1OC(C)C 72288827 DTHOQHUDMRMDSF-ZDUSSCGKSA-N 321.417 2.715 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)Cc1ccsc1)C2 97199033 UIKBEVFRXCOHSF-ZDUSSCGKSA-N 317.458 2.916 0 40 DFAB O=C(NN1C(=O)CC2(CCCCC2)CC1=O)c1ccccc1F 97166269 FVLXBMQQZIZWDQ-UHFFFAOYSA-N 318.348 2.570 0 40 DFAB CSc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)cc1 95987547 AJTUOIIDQXWHDU-CQSZACIVSA-N 308.447 2.855 0 40 DFAB CCc1cc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)nc(C)n1 89282835 BWPLYCKHSGSXSE-UHFFFAOYSA-N 323.356 2.958 0 40 DFAB C[C@@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@@H]1O 75093531 YFGDYUIHVLSYDL-YOEHRIQHSA-N 311.372 2.955 0 40 DFAB COc1ccccc1CNCc1ccc(S(C)(=O)=O)c(C)c1 89591264 NUANSEKVFLMBBQ-UHFFFAOYSA-N 319.426 2.697 0 40 DFAB COc1cccc([C@@H](O)CNC(=O)Nc2ccc(C)s2)c1 75416394 OVIOSASLVVQPFR-ZDUSSCGKSA-N 306.387 2.920 0 40 DFAB CCc1nc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)no1 76075783 NXVLFCLPKDKESC-CABCVRRESA-N 301.390 2.720 0 40 DFAB CCOc1ccc(-n2nc(C(N)=O)nc2-c2cccc(C)c2)cc1 408696166 XCMRAOQPUWRMBW-UHFFFAOYSA-N 322.368 2.740 0 40 DFAB C[C@H]1CN(Cc2ccc(-n3cncn3)c(F)c2)C[C@@H](C)S1 534349540 GQIHERUNUALSOD-TXEJJXNPSA-N 306.410 2.732 0 40 DFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2=O)cc1 216017915 WNUFBUUFXVZMCX-DJIMGWMZSA-N 312.413 2.727 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2ccc(N3CCNCC3)nc2)cc1 72216271 POFLDLVBJKEMKI-LJQANCHMSA-N 322.456 2.828 0 40 DFAB NC[C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218060084 RLGBCRXMAXFZDA-ARFHVFGLSA-N 321.829 2.855 0 40 DFAB CCCn1c2ccccc2n2c(S[C@@H](C)C(=O)O)nnc12 218826430 WCDPOEYRILAQHE-VIFPVBQESA-N 304.375 2.659 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72359967 BEMFBBNTNYAUIW-CQSZACIVSA-N 311.389 2.650 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NC(C)(C)C2CC2)C1 75212561 CDZLBNATZLLYQC-YPMHNXCESA-N 310.438 2.985 0 40 DFAB CCOC(=O)c1nn(-c2ccc(Br)cc2)nc1C 45920336 QWJNYRIZVNHBQB-UHFFFAOYSA-N 310.151 2.515 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(Cl)ncn2)C1 40434310 RYULXNJCWGTTSU-JTQLQIEISA-N 313.785 2.908 0 40 DFAB CCc1cc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)on1 83233061 LTYSXZDKMHLTKU-CVEARBPZSA-N 315.373 2.566 0 40 DFAB CN1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225328185 XYYFOJKXUMCDQE-UHFFFAOYSA-N 301.217 2.700 0 40 DFAB CC(C)CS(=O)(=O)CC(=O)N1CCC=Cc2ccccc21 190137705 AVEKCRNGBFICNJ-UHFFFAOYSA-N 307.415 2.507 0 40 DFAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1ccco1 226853019 RCYPULGJQCWDSX-ZDUSSCGKSA-N 311.341 2.549 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)NC[C@H](C)Cn2ccnc2)n1 81801490 AXQHKNMTEJEARD-NSHDSACASA-N 321.812 2.516 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)NCc1cccc2cccnc12 191917181 FXIUJWYBGOYEDR-UHFFFAOYSA-N 314.385 2.973 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccnc(N(C)C)c2)C1 96432369 XNAQAZRSUSXEEC-KGLIPLIRSA-N 307.463 2.894 0 40 DFAB c1coc(CN2CCCn3cnc(COCC4CC4)c3C2)c1 96059013 LIBWZMQGRXBJHX-UHFFFAOYSA-N 301.390 2.809 0 40 DFAB O=C(C1CC=CC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96161716 QLYHFSUQLIXEHE-CALCHBBNSA-N 314.404 2.682 0 40 DFAB COc1ccc(C)nc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 97378776 GJJIXAYFMUHBEC-JTQLQIEISA-N 318.377 2.756 0 40 DFAB CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 96413961 XHCIKJMJOQMBAX-RYRKJORJSA-N 318.461 2.923 0 40 DFAB CO[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]2CCO[C@@H]21 96217408 GMCHCUQMFZLNFZ-LXZKKBNFSA-N 315.369 2.760 0 40 DFAB COC(=O)c1ccc(CN2CCC(c3noc(C)n3)CC2)s1 96466198 WKTSIIDXWFUSIP-UHFFFAOYSA-N 321.402 2.606 0 40 DFAB c1ccc(N2CCOC[C@]3(CCCN(c4ccncn4)C3)C2)cc1 96076757 BJSAJUNPVXCAIA-LJQANCHMSA-N 324.428 2.600 0 40 DFAB CCc1oc2ccccc2c1CC(=O)NCCc1ccc(O)nc1 529366235 JSJGXZSFSUNDEI-UHFFFAOYSA-N 324.380 2.997 0 40 DFAB C[C@H](OC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc2c(c1)OCO2 245287315 BXIBCFQYVPNHQH-LEWSCRJBSA-N 314.341 2.557 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)ccn1 257276097 NSIVRXLVGDSRLE-FYCOFBDGSA-N 308.385 2.895 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1c1ccncn1 257267155 MGEDAADPLVURDX-MRXNPFEDSA-N 307.353 2.616 0 40 DFAB COc1ccc(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)cc1 257274666 NMAFQSFTTUULNB-UHFFFAOYSA-N 321.380 2.886 0 40 DFAB c1ccc(N2CCC(c3cnc(-c4ncc[nH]4)cn3)CC2)nc1 257283408 OYEINHVECQPHEZ-UHFFFAOYSA-N 306.373 2.646 0 40 DFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)(C)C)CC3 25894231 YNUXPMNKNXFLAC-UHFFFAOYSA-N 314.385 2.885 0 40 DFAB CN1CCCC[C@@H]2N(C(=O)COc3ccccc3)CCC[C@@]21C 257286061 PKAPJWJUQAWMOY-HKUYNNGSSA-N 316.445 2.931 0 40 DFAB CC(=O)N1CCN(c2nc(C)cc(C)n2)C[C@@H]1c1ccccc1 257275797 NQXPXRXBGHSKST-QGZVFWFLSA-N 310.401 2.503 0 40 DFAB CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2)cc1 358679828 LZLJPGKOTJXFEM-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)c2ccccc2Cl)cc1 90611676 PNJMSGFJBGDNMI-MRXNPFEDSA-N 318.804 2.869 0 40 DFAB CCOC(=O)[C@@H](C)[C@@H](O)c1cc(-c2ccc(Cl)cc2)[nH]n1 96316099 UCPQPKUCXPJAGY-LKFCYVNXSA-N 308.765 2.963 0 40 DFAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2CC1(O)CCCCCC1 585285152 WHQNDVXZPUPRSA-IAGOWNOFSA-N 308.466 2.547 0 40 DFAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1O 69631756 AINWBIDVLXGJIA-LBPRGKRZSA-N 322.430 2.668 0 40 DFAB CCCCCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 30768354 DYTOSIOWMLFURQ-UHFFFAOYSA-N 306.406 2.828 0 40 DFAB O=C1CCCN1c1cccc(CNCc2cccc3c2OCO3)c1 47703441 RUCBLYCSYSVONF-UHFFFAOYSA-N 324.380 2.832 0 40 DFAB CCCC(C)(C)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 50498865 CAIHUVSQERTDES-UHFFFAOYSA-N 301.390 2.551 0 40 DFAB Cn1nc(C(=O)N2CCCCC[C@H]2C2CCCCC2)ccc1=O 78814914 VWKXNZOSTYOQDC-INIZCTEOSA-N 317.433 2.745 0 40 DFAB Clc1ccc(N2CCCC2)c(NCc2nnnn2C2CC2)c1 84343817 RQEAGVYSKKGUJE-UHFFFAOYSA-N 318.812 2.874 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)Cc2cccs2)c2ccccc21 89227520 WIZKZLCSTBJHIT-CQSZACIVSA-N 315.394 2.984 0 40 DFAB CCCCC1=NN(C(=O)c2ccccn2)[C@@](O)(C(F)(F)F)C1 5711597 PRQUCJABGWOIIC-ZDUSSCGKSA-N 315.295 2.725 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12242286 NGDJLVPDWHKCFX-WITVHBPWSA-N 313.397 2.915 0 40 DFAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)CCC4)cc1 13639318 AFODAOUMKREPOV-UHFFFAOYSA-N 308.341 2.627 0 40 DFAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1 16087821 GPOBDECFEFUDMD-LLVKDONJSA-N 308.403 2.948 0 40 DFAB O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)C1CC1 19819245 WMAUBQLJOZSHPJ-UHFFFAOYSA-N 307.353 2.633 0 40 DFAB O=C(N1CCOCC1)N1CCS[C@@H](c2cccs2)CC1 219538168 XLMOQRGZDZOIAA-CYBMUJFWSA-N 312.460 2.680 0 40 DFAB CCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2070776 OGXDJIVMPGVBNZ-SNVBAGLBSA-N 324.450 2.504 0 40 DFAB O=C(CCC(F)(F)F)N1CC[C@](C(=O)O)(c2ccccc2)C1 565031999 MXLWCNLNJQKJPC-CQSZACIVSA-N 315.291 2.584 0 40 DFAB CCc1nnc(SCC(=O)Nc2ccccc2)nc1CC 414563 IGJNTIZKIRCMSJ-UHFFFAOYSA-N 302.403 2.727 0 40 DFAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)NCc1ccccc1 6064503 YECANEDQEQVYAB-NSHDSACASA-N 318.760 2.597 0 40 DFAB C[C@@H](O)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 6583546 MPOCDOPBYPRCEO-CYBMUJFWSA-N 309.369 2.753 0 40 DFAB O=C(Nc1cccc(OC(F)F)c1)c1ccc2nccn2n1 1889191877 FCAHTNZBJJVKQA-UHFFFAOYSA-N 304.256 2.583 0 40 DFAB COc1ccc(Cl)c(C(=O)N2CC3(CCN(C(C)C)C3)C2)c1 1565553651 AYZNDZRFLKKEJO-UHFFFAOYSA-N 322.836 2.905 0 40 DFAB CCOC(=O)CC1CCC(N2C(=O)c3ccccc3C2=O)CC1 5458203 JDSQEKUKGLRIFH-UHFFFAOYSA-N 315.369 2.795 0 40 DFAB Cc1ccccc1NC(=O)NC[C@H](OCCO)c1ccsc1 575619984 HHFYKQSASLEZGL-HNNXBMFYSA-N 320.414 2.928 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 40476650 HWZPLRDKVPWLRN-TXEJJXNPSA-N 316.405 2.570 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCCC2)nc1 30299853 QDLGUOZDQVOEKC-UHFFFAOYSA-N 313.376 2.680 0 40 DFAB Cn1ccs/c1=N\C(=O)c1ccc(CN2CCCCC2)cc1 30992166 LPNPUFFSGVSWNA-ZCXUNETKSA-N 315.442 2.814 0 40 DFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC1CCC1 31442001 IRZRMJRXGBWUNC-UHFFFAOYSA-N 311.307 2.971 0 40 DFAB CC(C)c1noc(COc2ccc(C(=O)NC3CC3)cc2)n1 40549649 KFBBNFCPPPTACZ-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1 309137 RSUQZNMCYXZQQX-UHFFFAOYSA-N 315.398 2.996 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)Cc2nc(C3CC3)no2)c1 32929613 USEXTDLGNZEQDV-UHFFFAOYSA-N 306.387 2.679 0 40 DFAB COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC 530247 YZZZJXNSZPTDHU-UHFFFAOYSA-N 316.401 2.782 0 40 DFAB O=C(CCc1ccccc1)NCCc1nc2cc(F)ccc2[nH]1 12128780 OFROELLZAQMVJU-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB OC1(Cc2nc(-c3ccc(Br)o3)no2)CCCC1 97138683 YYZWZHWIAKGSER-UHFFFAOYSA-N 313.151 2.940 0 40 DFAB Cc1cc(C)c(C(N)=O)c(SCC(=O)c2ccccc2)n1 67830 JCWYXFYTEYUZFV-UHFFFAOYSA-N 300.383 2.772 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)NC[C@@H](C)N(C)c1ccccc1 46951454 NHVLRLSDTSXAGF-NEPJUHHUSA-N 318.339 2.595 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c1 37396285 SXPWLOPJZYAIBL-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 811585 QJJDDJISESNWGT-UHFFFAOYSA-N 318.402 2.947 0 40 DFAB COCCCNC(=O)Nc1ccc(OC)c(Br)c1 78671753 YJGWPRSVRTUGHS-UHFFFAOYSA-N 317.183 2.616 0 40 DFAB Cn1cnc2ncnc(Nc3ccc(Br)cc3)c21 1608887 GHKMGDHYXSWVTI-UHFFFAOYSA-N 304.151 2.869 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 33679650 LJSQVIKPYOZIEG-CYBMUJFWSA-N 321.396 2.938 0 40 DFAB C[C@@]1(c2cccs2)NC(=O)N(CCOc2ccccc2)C1=O 53863889 WKPWXWSNCRZUJP-INIZCTEOSA-N 316.382 2.594 0 40 DFAB O=NN(Cc1ccccc1)[C@H](c1ccccc1)S(=O)(=O)O 6579758 PTXOJABCWSGJCE-AWEZNQCLSA-N 306.343 2.757 0 40 DFAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1F 7213224 QTICFROZRUBGTI-ZDUSSCGKSA-N 302.280 2.709 0 40 DFAB Cc1cc(S(=O)(=O)NCc2nc3ccccc3[nH]2)c(C)s1 54348090 AMNUQCPLTLHYAH-UHFFFAOYSA-N 321.427 2.720 0 40 DFAB CC(C)(C)c1ccccc1NC(=S)NCCN1CCOCC1 23775581 ZPHVYBKBXCSYOA-UHFFFAOYSA-N 321.490 2.603 0 40 DFAB O=C(OCCOc1ccccc1)c1cc2ccccc2c(=O)[nH]1 8217013 JVTFMXMCHFBJEA-UHFFFAOYSA-N 309.321 2.764 0 40 DFAB c1ccc(-n2cc(CNCc3ccc4c(c3)OCCO4)cn2)cc1 24081713 ZYWVKGKJJRIZNG-UHFFFAOYSA-N 321.380 2.933 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1F 25189030 RQAXWAVAIZAULF-SNVBAGLBSA-N 314.316 2.648 0 40 DFAB C[C@@H](NC(=O)NCc1ccoc1)c1ccc2c(c1)OCCO2 43482612 OGJUVDHNVFJYJT-LLVKDONJSA-N 302.330 2.611 0 40 DFAB O=C(C1CCCCC1)N1CCC2(CC(Nc3ncccn3)C2)C1 108529999 YKPDPSHEEPBHFL-UHFFFAOYSA-N 314.433 2.850 0 40 DFAB CC[C@H](C)[C@@H](C)NC(=O)N1CCN([C@H](C)c2cccnc2)CC1 107050454 PNWFNDPYKBMMKY-ARFHVFGLSA-N 318.465 2.904 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(F)cc1F 3224933 LJOXYGXYEREEQZ-GQCTYLIASA-N 307.252 2.753 0 40 DFAB CCc1cc2c(=O)n(Cc3ccc(C(=O)O)cc3)cnc2s1 1945056 ZMTIQOGGZZHQDF-UHFFFAOYSA-N 314.366 2.767 0 40 DFAB CNC(=O)c1ccn(-c2ccc(NC(=O)CCC(C)C)cc2)n1 58171980 GCDWXSHAHHQROM-UHFFFAOYSA-N 314.389 2.607 0 40 DFAB C[C@H]1CN(Cc2nc(C(C)(C)C)no2)c2ccccc2NC1=O 72488767 PHHOUBPZTYTUEW-NSHDSACASA-N 314.389 2.962 0 40 DFAB C[C@H](c1cccc(F)c1)N1CCC(c2ccnn2CCO)CC1 58305268 MDEVOWXZFSECRY-CQSZACIVSA-N 317.408 2.955 0 40 DFAB COc1cc(C(=O)NC2CC2)ccc1OCc1csc(C)n1 28273025 LZMYRWIXNNLPNS-UHFFFAOYSA-N 318.398 2.931 0 40 DFAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@H](C2)N1C[C@@H]1C[C@H]2C=C[C@H]1C2 100214538 MPTBYHLTKHXSJM-GVRJEKJASA-N 311.429 2.634 0 40 DFAB CC(C)OCc1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O 29303602 PDHQXDUBQZIXKW-UHFFFAOYSA-N 324.380 2.663 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc(O)cc2)CC1 12818798 DEGFCVSYRVXROE-UHFFFAOYSA-N 314.385 2.946 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(Cl)nc1 3474052 KVELNFMEHYUKAH-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 13170360 KYHYYUZLJSXEDS-QMMMGPOBSA-N 302.157 2.930 0 40 DFAB Cc1ccc(CNC(=O)CSCc2c(C)noc2C)cn1 49199510 LZLWHMXXWLNQQI-UHFFFAOYSA-N 305.403 2.544 0 40 DFAB CCOc1ccc(NC(=O)NCCOC)c(C(F)(F)F)c1 64430141 NVHIKZAKJNSPBX-UHFFFAOYSA-N 306.284 2.872 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccccc1Cl 5120149 RNIRAFWGGFLVJK-LLVKDONJSA-N 310.806 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306.749 2.599 0 40 DFAB Cc1nnc(NC(=O)N2CCC(Oc3ccccc3)CC2)s1 56518139 MKFHNUSUYHSPIJ-UHFFFAOYSA-N 318.402 2.922 0 40 DFAB CN(Cc1cccc(OC(F)F)c1)c1cn[nH]c(=O)c1Cl 57150804 XXHXAWUNRKYFBP-UHFFFAOYSA-N 315.707 2.661 0 40 DFAB O=C(Nc1nc[nH]n1)c1ccc(C2SCCCS2)cc1 23142111 MMRAZBHGQZLYKV-UHFFFAOYSA-N 306.416 2.926 0 40 DFAB CC[C@H](NCc1csc(NC(C)=O)n1)c1c(C)noc1C 97111122 GWRRIMVEVOHLAI-LBPRGKRZSA-N 308.407 2.947 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 58098496 MBJZFFPCSCAGGJ-MRZGDXHCSA-N 306.793 2.610 0 40 DFAB CCOc1cccc(C(=O)NC2CCN(CC(F)F)CC2)c1 58278103 JPTAERLANORPSB-UHFFFAOYSA-N 312.360 2.545 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCc2ccccc21 12616846 COTHIUCQGPJUCI-OAHLLOKOSA-N 317.410 2.969 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)N3CCSCC3)on2)cc1 44971512 QFAPFXOFLYSFLP-UHFFFAOYSA-N 317.414 2.908 0 40 DFAB CCCOc1ccc(OCC(=O)N[C@@H](CC)C[C@H](C)CO)cc1 84758568 CMDNBPSIRHTRQJ-GJZGRUSLSA-N 323.433 2.768 0 40 DFAB C[C@H](CNC(=O)CC[C@@H]1CCCO1)N1CCc2sccc2C1 46243589 KPQSAEQTDFCMKY-HIFRSBDPSA-N 322.474 2.570 0 40 DFAB O=C(NC[C@H]1OC=Cc2ccccc21)[C@H]1COc2ccccc2O1 26895379 FFHPERKUCAAJIO-QZTJIDSGSA-N 323.348 2.685 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)Sc1cc(C)ncn1 12016810 FGQDYZBWBPJSLQ-NSHDSACASA-N 303.387 2.913 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12909444 SEVZDHPUBSWWRV-AWEZNQCLSA-N 324.336 2.538 0 40 DFAB COc1ccc(OC)c(CNC(=O)CCOc2ccccc2)c1 13011790 JPBWTXRRUIEEAB-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB Cc1cc(NC(=O)CNc2cccc(Br)c2)no1 9155723 UXXNLVQPACZHSC-UHFFFAOYSA-N 310.151 2.796 0 40 DFAB Cc1cccc(-c2nc(C(N)=O)nn2-c2ccc(C)cc2C)c1 408694854 MUHHXRHBJCSJNZ-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB CCCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)o1 20033850 XOMZZVXUXLWTGZ-UHFFFAOYSA-N 319.386 2.956 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C)n2C)on1 65428358 SROUOFCLEAJUOI-AWEZNQCLSA-N 302.378 2.677 0 40 DFAB Cc1cc(NC(=O)c2cnccn2)n(-c2cccc(Cl)c2)n1 65521420 ARJJTOOZKASCBA-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB COCCNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 65576147 LUPJOJQNSWUPQX-UHFFFAOYSA-N 305.309 2.781 0 40 DFAB CCc1nnc(NC(=O)CCc2cc(OC)cc(OC)c2)s1 14168969 VPDLWXKGVRAWEV-UHFFFAOYSA-N 321.402 2.689 0 40 DFAB COc1ccc(-n2c3c(c(O)cc2=O)C(=O)CC(C)(C)C3)cc1 6493231 WJDOUPYIQXAGOU-UHFFFAOYSA-N 313.353 2.707 0 40 DFAB N=C1C(=O)OC[C@@H]1c1ccccc1NC(=O)c1ccc(F)cc1 4649563 NEGASMKEYQUSFK-CYBMUJFWSA-N 312.300 2.738 0 40 DFAB NC(=O)c1cc2ccc(O)cc2o/c1=N\c1cc(F)ccc1F 67298335 TYCIRIYMNFWCSO-SILNSSARSA-N 316.263 2.748 0 40 DFAB Cc1cc(C)c(CS(=O)(=O)[C@@H](C)C(=O)N2CCCC2)c(C)c1 67225782 GROUEVONWDTLMI-HNNXBMFYSA-N 323.458 2.538 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)N[C@H]1C[C@@H]1c1ccccc1 67615352 WCVGXWIRDYQFFF-CVEARBPZSA-N 316.401 2.527 0 40 DFAB Cc1nc(C)c(C(=O)N(C)C[C@H]2OCCc3ccccc32)o1 81316791 ZMNMPNIFUXJWDN-OAHLLOKOSA-N 300.358 2.677 0 40 DFAB C[C@@H](Cc1cccc(F)c1)C(=O)NCCN1CCCCCC1 69127902 FQAWWNUBGVCLMU-HNNXBMFYSA-N 306.425 2.997 0 40 DFAB CCOCCO[C@@H](C)C(=O)N(CC)Cc1c(F)cccc1F 69373041 STGHCYFLDHYXJZ-LBPRGKRZSA-N 315.360 2.755 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)Cc2cccc(F)c2)cc1 8326283 HCJRYBBMIVKZNT-UHFFFAOYSA-N 315.344 2.536 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)cn1 69625143 WTDIPFWRMUHQHP-KRWDZBQOSA-N 321.384 2.583 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)c2ccccc2n1 8538121 AUIAASWTIOOLSK-GFCCVEGCSA-N 300.358 2.613 0 40 DFAB O=C(NCCCSc1ccc(F)cc1)c1cccnc1O 18022888 IHWJXJKIPHDODJ-UHFFFAOYSA-N 306.362 2.839 0 40 DFAB O=c1ccc(-c2ccccc2F)nn1Cc1nnsc1Cl 69950281 GBCYAOIACMUHTJ-UHFFFAOYSA-N 322.752 2.603 0 40 DFAB CCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1cc(C)ccc1C 71903384 NGIUTHNMPGVUDG-CQSZACIVSA-N 311.447 2.868 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)c1ncn(-c2ccccc2)n1 8715340 YXPGSSUBEYGZOS-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB O=C(COC[C@@H]1CCCO1)Nc1cc(-c2ccccc2F)no1 71900747 URBBKQKXLVPAND-NSHDSACASA-N 320.320 2.615 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)no1 72231958 SHLAGHYGHNHNNM-GFCCVEGCSA-N 305.403 2.778 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCn3c(C)ccc3[C@H]2C)s1 84210065 JHZUQAQCVHYPAB-LLVKDONJSA-N 318.398 2.862 0 40 DFAB CCOCC(=O)N1CCc2c(Br)ccc(F)c2C1 97111957 KBFUEKXSHGDEHQ-UHFFFAOYSA-N 316.170 2.509 0 40 DFAB CSC1(CNC(=O)N2CC[C@H]3CCCC[C@H]32)CCOCC1 74738880 QPHSHXJMUHLVMX-ZIAGYGMSSA-N 312.479 2.873 0 40 DFAB CS(=O)(=O)CC1(CNc2ccc3ccc(F)cc3n2)CC1 89484222 WLFHCVMWQTURCR-UHFFFAOYSA-N 308.378 2.611 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(=O)[nH]1 75122770 XSVLOAOKOBGIOH-CQSZACIVSA-N 302.761 2.754 0 40 DFAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc(C2CC2)nn1 89894197 ZHPQKKGNSXOYKB-CQSZACIVSA-N 324.428 2.983 0 40 DFAB COc1cccc(CC(=O)N[C@H](C)C[C@H](O)c2ccccc2)c1 89894957 NWEXVDADYYAQJD-KDOFPFPSSA-N 313.397 2.866 0 40 DFAB CC[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)C[C@H]1N(C)C 89948443 PWLRGADQIABMPX-SJKOYZFVSA-N 317.408 2.648 0 40 DFAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCN(C)C 216147939 GDXVJAUADVVVFU-KRWDZBQOSA-N 300.402 2.675 0 40 DFAB Cc1ccc(C(=O)/N=c2\ccccn2C(=O)c2ccc(C)o2)o1 32578938 UMQGOFRYDFCFCZ-OBGWFSINSA-N 310.309 2.721 0 40 DFAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)/C=C\c1ccccc1 71979762 DZGNTGMBHAPDHX-FJVVXJACSA-N 315.369 2.672 0 40 DFAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1 79043337 BFVHEKFYLTUQHC-PWSUYJOCSA-N 315.772 2.932 0 40 DFAB CCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCC1 225706515 XHRZRZDBRCBVRN-UHFFFAOYSA-N 320.433 2.915 0 40 DFAB Cc1ccccc1C(=O)N[C@@H](c1n[nH]c(=S)n1C)C(C)C 85400130 BGAIUEGZESFLDB-GFCCVEGCSA-N 304.419 2.913 0 40 DFAB O=S1(=O)CCC[C@@H]1CN[C@@H]1CC[C@H](Cc2ccccc2)C1 225438666 AANPOYANEMYSQW-BRWVUGGUSA-N 307.459 2.565 0 40 DFAB CC(=O)Nc1cccc(Cn2cnc3c(C)csc3c2=O)c1 195414895 CKJSSPXHISKVOM-UHFFFAOYSA-N 313.382 2.773 0 40 DFAB FC1(c2cccnc2)CCN(c2cc(NC3CC3)ncn2)CC1 573456994 AVJSNZRYFPIPNX-UHFFFAOYSA-N 313.380 2.911 0 40 DFAB CN(CCCNC(=S)Nc1ccncc1)c1ccccc1 225749247 HWKNRYYQKAKCKX-UHFFFAOYSA-N 300.431 2.895 0 40 DFAB CCO[C@H]1C[C@H](Nc2cccc(CC(=O)OC)n2)C12CCC2 195002626 JTXAAZASSQCNFI-KBPBESRZSA-N 304.390 2.557 0 40 DFAB C[C@H](NC(=O)C1(c2cccs2)CCCCC1)C(=O)N(C)C 96414445 NXXYADHXEQDBDO-LBPRGKRZSA-N 308.447 2.543 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccn3)c2c1 96405928 NLRMSNJZMOBOHO-VMPITWQZSA-N 321.380 2.944 0 40 DFAB O=C(NCCC[C@@H]1CCCCO1)N[C@@H]1CCN(C2CCCC2)C1 96502999 FXQLYRRZWDPWTK-WBVHZDCISA-N 323.481 2.652 0 40 DFAB COc1ccc(CN2CCc3c(cnc(C)c3C(=O)O)C2)cc1 96189210 HQUXLNXNVQKVTN-UHFFFAOYSA-N 312.369 2.655 0 40 DFAB c1ccc(CO[C@@H]2CN(Cc3ccoc3)[C@@H]3CCCO[C@H]23)nc1 96042535 IPWYYLZLOFBWJR-KURKYZTESA-N 314.385 2.623 0 40 DFAB CC(C)CN1CCC[C@]2(CCN(C(=O)Cc3ccccn3)C2)C1 96215281 PZBFFTAZCAVGRM-IBGZPJMESA-N 315.461 2.595 0 40 DFAB C[C@H](NC(=O)C1=CCCC1)c1cc(F)ccc1N1CCOCC1 97227924 ZEPKZMNWCZTYSC-ZDUSSCGKSA-N 318.392 2.950 0 40 DFAB C[C@H](NC(=O)[C@H]1CCOC1)c1noc(-c2ccc(Cl)cc2)n1 96456499 CTRMZAVJQIOSTN-ONGXEEELSA-N 321.764 2.604 0 40 DFAB Cc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)o1 245338633 NKERRHJUUAWQOE-YUELXQCFSA-N 305.374 2.765 0 40 DFAB Cc1nc(NC(=O)c2cccnc2O[C@H]2CCOC2)sc1C 253399096 IKWSJLUOTFAYHT-NSHDSACASA-N 319.386 2.575 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)n1 257210583 BVGKEXGOSCDIJA-HNNXBMFYSA-N 309.369 2.858 0 40 DFAB COCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257278300 OBRWRWHJGHBLNP-HNNXBMFYSA-N 318.348 2.714 0 40 DFAB Cc1c[nH]c(-c2cncc([C@@H]3CCCN3Cc3cccnc3)n2)n1 257306666 SVHCMRDKIDDTMY-KRWDZBQOSA-N 320.400 2.907 0 40 DFAB CO[C@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1C 96105060 LRCHEQINFGPKBR-QGZVFWFLSA-N 319.426 2.802 0 40 DFAB CCc1cnc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)nc1 1776001753 JSFMFUQDKQZHPM-HNNXBMFYSA-N 315.417 2.765 0 40 DFAB COc1cc(C(=O)Nc2nc(C)no2)ccc1OC1CCCC1 56912870 MFNHZLMTFVVOBM-UHFFFAOYSA-N 317.345 2.960 0 40 DFAB NC1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 95427766 CYRFVJGEANAKLB-UHFFFAOYSA-N 317.614 2.666 0 40 DFAB CCc1cnc(CN(C)S(=O)(=O)c2ccccc2F)s1 80832488 UOQWXLBAUVQZAO-UHFFFAOYSA-N 314.407 2.665 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc2c(c1)OCC2 1772714692 JAADVGLJOVYOBT-ZDUSSCGKSA-N 321.373 2.532 0 40 DFAB CN(C(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 12146552 CHJVBGLXTPGENX-UHFFFAOYSA-N 300.314 2.600 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)N1CCCC1)c1ccc(F)c(F)c1 12221704 WLWWIOFQCALWNL-AWEZNQCLSA-N 320.343 2.593 0 40 DFAB Cc1ncc(-c2ccncc2)c(CCNC(=O)C2CCCC2)n1 13228102 ULPVKBUYUDNJRH-UHFFFAOYSA-N 310.401 2.696 0 40 DFAB COCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 13574087 KMDVQMSJAMLYDG-UHFFFAOYSA-N 308.765 2.690 0 40 DFAB COC(=O)c1ccc(OCC(=O)c2ccc(OC)c(F)c2)cc1 5185199 QTENHMYPFPKXOM-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB COc1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1F 23734626 FXRSDSITUMHDBX-UHFFFAOYSA-N 313.332 2.983 0 40 DFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncc(Cl)cn2)C1 2087126168 BDSYHKZZGLBUHB-GFCCVEGCSA-N 310.829 2.603 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccccc2OC)cc2cccnc21 5304033 HFFIDOGBBDVFQP-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2o1 10255975 LFXIYGBGWSWRLF-OAHLLOKOSA-N 320.348 2.750 0 40 DFAB COc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 13011210 FDZLNIDKRJSSNA-HNNXBMFYSA-N 304.415 2.789 0 40 DFAB CN1C(=O)CCCC12CCN(Cc1ccc(F)c(F)c1)CC2 2055784327 HSIYSHROMKFFFF-UHFFFAOYSA-N 308.372 2.942 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nc(-c2ccco2)cs1 40111429 IYIOVJCNQKPPKH-ZJUUUORDSA-N 319.386 2.504 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 31979544 PZDCDGICXOMINC-ZIAGYGMSSA-N 316.357 2.641 0 40 DFAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C)cc2)NC(=O)N1 279869 AUJMBBGTZJQGFB-CQSZACIVSA-N 302.374 2.965 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 32772032 JKQATGNNJLJJKL-UHFFFAOYSA-N 306.362 2.865 0 40 DFAB CCCOc1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 21789162 RIHXPGUAOJAKPB-UHFFFAOYSA-N 323.356 2.703 0 40 DFAB O=C1NCc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3)cc21 78796770 KLISCVBGKJTFCL-UHFFFAOYSA-N 318.336 2.572 0 40 DFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C1CCCC1 53435788 KQOQGUGYQTUHOF-CYBMUJFWSA-N 315.417 2.625 0 40 DFAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2C(=O)NC(C)C)c1 1343096 YESKATDDFVZLJL-OAHLLOKOSA-N 303.406 2.824 0 40 DFAB Cc1cc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)c(C)o1 79093370 CWHYMAWTMABVKN-RISCZKNCSA-N 324.446 2.572 0 40 DFAB CCN1CCC[C@H]1CNCc1c[nH]nc1-c1ccc(OC)cc1 53945897 CJAWTKPDIRAQEQ-INIZCTEOSA-N 314.433 2.659 0 40 DFAB COc1cc(O)c(OC)c(O)c1C(=O)CCc1ccccc1 4716490 FXSMSBHKHZUDMO-UHFFFAOYSA-N 302.326 2.931 0 40 DFAB biogenic NCCS[C@@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 6281107 IRKUVSBPZMMDCU-INIZCTEOSA-N 311.410 2.820 0 40 DFAB Cc1nc2ccccc2n1CC(=O)N(Cc1cccnc1)C1CC1 42604550 FTDKZKURYSFITK-UHFFFAOYSA-N 320.396 2.931 0 40 DFAB Cc1noc(C2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)n1 54677875 IJMWJYDCCATWCL-SNVBAGLBSA-N 319.409 2.999 0 40 DFAB Cc1ccccc1NCCC(=O)N[C@@H](C)c1cnn(C)c1C 25004109 WWRDOKNJCXITCU-ZDUSSCGKSA-N 300.406 2.716 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2ccccc2F)CC1 23442405 HOTDBBYAGSOVEB-UHFFFAOYSA-N 321.783 2.765 0 40 DFAB CCCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 9064333 SIKUIZRRRRNJBZ-UHFFFAOYSA-N 322.277 2.831 0 40 DFAB O=C(NCCc1nnc[nH]1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 107149918 GSXZXKFDNMJKJY-BXWFABGCSA-N 324.428 2.513 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)c1cccnc1Cl 3256143 NGNGEQJDGNNQHT-NSHDSACASA-N 310.781 2.683 0 40 DFAB C[C@H](Sc1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 58282550 GPVBYYHAULUEAS-QMMMGPOBSA-N 322.411 2.672 0 40 DFAB Cc1ncsc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 44939797 MUMIFUQJJQQLKS-CYBMUJFWSA-N 301.415 2.708 0 40 DFAB Cc1sc2nc(S[C@@H]3CCCCNC3=O)nc(N)c2c1C 58366564 IIMQFTMBYSOGMJ-SECBINFHSA-N 322.459 2.651 0 40 DFAB Cc1c(NCc2nc(C3CC3)no2)cccc1N1CCCC1=O 58356438 DIBGPJAGIPYZSC-UHFFFAOYSA-N 312.373 2.994 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCN(C2CCCC2)CC1 45084306 LKTJBQUVRDJYQD-UHFFFAOYSA-N 324.428 2.573 0 40 DFAB C[C@@H]1CCc2nc(NC(=O)c3cn4cccnc4n3)sc2C1 36390817 ULCXEZSAWSZLIA-SECBINFHSA-N 313.386 2.563 0 40 DFAB O=C(NCc1ccccc1OC(F)(F)F)Nc1cn[nH]c1 45312655 ZQAVTMXACHPTSJ-UHFFFAOYSA-N 300.240 2.630 0 40 DFAB COc1ccc(CNC(=O)Cn2c(C)cc3ccccc32)cn1 10991426 OBZKELXTNVWWQA-UHFFFAOYSA-N 309.369 2.670 0 40 DFAB COc1cc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)ccn1 249048325 HOQSPBWDARAHSL-OLMNGRFOSA-N 315.417 2.714 0 40 DFAB COCCCNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 20662108 DHFUKAMAGWOCTB-UHFFFAOYSA-N 311.389 2.881 0 40 DFAB Cc1c(C)n(C[C@H](O)CNC[C@H]2CCCO2)c2ccc(F)cc12 28297182 IQQFXGBJTGSHAZ-HZPDHXFCSA-N 320.408 2.527 0 40 DFAB CCOc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 12896315 RPTXRRRVTOEZCV-ZDUSSCGKSA-N 313.353 2.655 0 40 DFAB Cc1cc(F)ccc1NCC(=O)Nc1ccc2c(c1)OCCO2 3432448 VCHHUXOZEFTFBY-UHFFFAOYSA-N 316.332 2.956 0 40 DFAB Cc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C 3442921 IPMJHYLFJJUQSU-UHFFFAOYSA-N 315.442 2.853 0 40 DFAB Oc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1 6080130 BUJNTKXMJMCEKW-UHFFFAOYSA-N 313.426 2.911 0 40 DFAB CCOc1ccccc1NC(=O)COc1ccc2c(c1)OCO2 5060919 MMPZITCIIJBXNE-UHFFFAOYSA-N 315.325 2.832 0 40 DFAB CC(C)NC(=O)N1CCC(c2nc3ccccc3n2C)CC1 13723183 UIIJDXMRBKOTTO-UHFFFAOYSA-N 300.406 2.871 0 40 DFAB c1cc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)ccn1 13722221 GXVGFJAONONJEU-UHFFFAOYSA-N 323.337 2.644 0 40 DFAB CN(C(=O)CNc1ccc(Cl)cc1C(N)=O)C1CCCCC1 65474532 WCRATNYVFNFUBH-UHFFFAOYSA-N 323.824 2.642 0 40 DFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1F 14076386 PZRYMKQIBMNDEQ-UHFFFAOYSA-N 316.263 2.664 0 40 DFAB O=C(CNc1ccc(OC(F)(F)F)cc1)NCc1ccco1 65608695 ZEVDAABUAQSOKC-UHFFFAOYSA-N 314.263 2.907 0 40 DFAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(N)=O 4871081 GBZHEISJPQHTDI-SNVBAGLBSA-N 310.309 2.525 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)c3ccn(C)c(=O)c3)c2)o1 66809442 LJGKDUYBKMCUTD-UHFFFAOYSA-N 309.325 2.601 0 40 DFAB CC[C@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1F 90468501 QUOIEXQDFJOODL-FZMZJTMJSA-N 303.374 2.583 0 40 DFAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 7608363 JDUBXSOMMRLNDW-UHFFFAOYSA-N 310.353 2.648 0 40 DFAB O=C(Nc1cccc2[nH]cnc12)c1ccc(OCC(F)F)nc1 90650965 SIBRVXYVQKQEOA-UHFFFAOYSA-N 318.283 2.854 0 40 DFAB Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C)C2)c(C)c1 7787522 JTRDIFJVNHCDFB-CYBMUJFWSA-N 303.406 2.683 0 40 DFAB CCCCN1CCC(NC(=O)c2c[nH]c3ncccc23)CC1 68449873 UBEQAMQDIDYWMP-UHFFFAOYSA-N 300.406 2.557 0 40 DFAB COC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCC2 16206367 DEPAVSOYGAEYBK-LLVKDONJSA-N 313.353 2.832 0 40 DFAB O=C1O[C@H](C(=O)NCc2ccccc2)Cc2ccc(Cl)cc21 8020860 RRSCRYUILOQXBP-HNNXBMFYSA-N 315.756 2.738 0 40 DFAB CCSc1ccc(N[C@@H](C)C(=O)Nc2cc(C)no2)cn1 69096434 XSWSLFNYIFHXDC-JTQLQIEISA-N 306.391 2.929 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1cc3ccc(C(C)C)cc3[nH]1)C2 69451613 YVFJZVRBEFSYAE-UHFFFAOYSA-N 323.400 2.847 0 40 DFAB Cc1ccc(Nc2nnc(SCc3nnc(O)[nH]3)s2)cc1 91559537 LAIQRJZKDSTZLJ-UHFFFAOYSA-N 320.403 2.706 0 40 DFAB CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 408707337 NDOUSGOLWWRVLJ-XJKSGUPXSA-N 302.418 2.560 0 40 DFAB O=C(CCNC1(c2ccc(Cl)cc2)CCC1)N1CCOCC1 69593446 WBBVAMMOPNIWKD-UHFFFAOYSA-N 322.836 2.558 0 40 DFAB CN(C(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1CCOC1 69663359 VRQCQEDNXODBMW-OAHLLOKOSA-N 316.426 2.524 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1CC(=O)NC1CCCC1 69683693 ZBTAWODXOFAVMD-KRWDZBQOSA-N 316.445 2.761 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC[C@@H]1CCCO1 71870337 DPIFBOIQCDZCQF-GJZGRUSLSA-N 305.422 2.660 0 40 DFAB Cn1cc([C@]2(C)CN(Cc3ccc(Cl)c(F)c3)CCO2)cn1 92017276 RFLBFKLIUQNFQA-INIZCTEOSA-N 323.799 2.960 0 40 DFAB Cc1cnccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 69924614 SVAYXQUDLAIAIL-ZDUSSCGKSA-N 315.398 2.695 0 40 DFAB Cc1cccc([C@H](C)NC(=O)N[C@H](C)Cn2ccnc2)c1C 71909189 SPJRZZKHHBQWBK-HIFRSBDPSA-N 300.406 2.949 0 40 DFAB Cc1ccc(OCCCC(=O)N[C@H]2CCC[C@H]2CO)cc1C 84180743 IYUHNRBDVCJKII-RDJZCZTQSA-N 305.418 2.740 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccsc3)C2)no1 72291363 UBDLPBDSYBIPPV-CMPLNLGQSA-N 305.403 2.949 0 40 DFAB C[C@@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCO1 72230627 CFSSEHNGEAHFNR-DGCLKSJQSA-N 320.389 2.517 0 40 DFAB Cc1ccccc1CN1CCN(Cc2c(C)nn(C)c2C)CC1 28227187 QXSBDZIOHHHBTK-UHFFFAOYSA-N 312.461 2.663 0 40 DFAB Cc1ncccc1CN1CCC([C@@](C)(O)C(F)(F)F)CC1 97162315 KFOVOZMFCHGENQ-CQSZACIVSA-N 302.340 2.915 0 40 DFAB CC[C@H]1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 84735485 UKOCDRLJNQPKIE-ZDUSSCGKSA-N 302.374 2.812 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 95402229 TUQQGPWWIPZGPM-CYBMUJFWSA-N 302.378 2.931 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H](O)c1ccccc1 95427354 GKYGVJLSSCMRIG-CVEARBPZSA-N 303.402 2.718 0 40 DFAB CN(C)C(=O)CCC[S@](=O)Cc1ccc(F)cc1Cl 95413671 YXCPWJYCQICXNK-LJQANCHMSA-N 305.802 2.596 0 40 DFAB CSC[C@H](C)N(C)C(=O)c1ccc(-c2cnccn2)cc1 95433766 OEFOYEGRNAFYPD-LBPRGKRZSA-N 301.415 2.967 0 40 DFAB O=C(c1ccncc1F)N(C[C@H](O)c1ccc(F)cc1)C1CC1 95429904 OWURKDYIZBYIEG-INIZCTEOSA-N 318.323 2.698 0 40 DFAB O=C(COc1ccc(Cl)cc1)N[C@@H](CO)CC1CCCC1 95456416 XPTAVDAWGTVOKH-CQSZACIVSA-N 311.809 2.776 0 40 DFAB CO[C@H](C)c1nc(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)cs1 95987297 PSNMMBFCLUIMKC-LYRGGWFBSA-N 318.442 2.941 0 40 DFAB CCOc1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1OC 95966941 HWVZSGCJJAYMSB-GFCCVEGCSA-N 309.406 2.914 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccncc1 95977507 FWRBSUQUTKTSAA-CYBMUJFWSA-N 309.728 2.729 0 40 DFAB CCS[C@@H](C(=O)NC[C@@H](C(=O)O)c1ccccc1)C(C)C 89274779 NUHFYQMAZNVLHE-ZIAGYGMSSA-N 309.431 2.749 0 40 DFAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 75146868 OCNFEPYVLWBURL-OLZOCXBDSA-N 324.446 2.988 0 40 DFAB COc1ccc2c(c1)OCC(CN[C@H](C)Cn1cc(C)cn1)=C2 75132820 GWUWWFLVMVBLEV-CQSZACIVSA-N 313.401 2.654 0 40 DFAB CCC(=O)N1CC[C@H](NCC2=Cc3ccccc3OC2)[C@H](C)C1 76058031 INDXIUBDTZVVBV-PBHICJAKSA-N 314.429 2.699 0 40 DFAB COc1ccc(C(=O)Sc2nnc(-c3ccco3)o2)c(O)c1 408535150 XTZQEMJLUXSOKS-UHFFFAOYSA-N 318.310 2.976 0 40 DFAB COC(=O)c1ccc(CSc2nc(C)c3c(n2)CCC3)o1 408555929 XSVWGOUVDOGXLS-UHFFFAOYSA-N 304.371 2.946 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 524733720 JXYDOFSYVLWLGW-VIFPVBQESA-N 323.270 2.552 0 40 DFAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(C)=O)n2)s1 72375127 JJQIDTBLRYGXQU-LBPRGKRZSA-N 317.418 2.923 0 40 DFAB Cc1ncc2n1C[C@H](C(=O)Nc1ccc3ncccc3c1)CC2 557563562 NCZGYWYSMDKFFU-CQSZACIVSA-N 306.369 2.941 0 40 DFAB O=C1/C(=C/c2cccc(O)c2)NC(=S)N1C1CCCCC1 30277994 AIQKUUUDZNJEKP-UVTDQMKNSA-N 302.399 2.783 0 40 DFAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccc(F)cc1 217720973 IBAMPNMWYBXLDE-UHFFFAOYSA-N 303.289 2.850 0 40 DFAB Cc1ccc(C[C@@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)cc1 79360612 UQSVKHLOMISSQH-MSOLQXFVSA-N 310.397 2.969 0 40 DFAB Cc1cc(=O)c(OCC(=O)Nc2nc(C(C)(C)C)cs2)co1 72401498 WNLSIHPCSSJWJX-UHFFFAOYSA-N 322.386 2.720 0 40 DFAB CN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CCC1 73725096 DESHRDJHKGFYGY-UHFFFAOYSA-N 311.495 2.542 0 40 DFAB Cc1ccnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 72203119 WARRKJGCEMMPEC-UHFFFAOYSA-N 306.410 2.526 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1 44883301 YWKPJKLGXJZKRH-SJKOYZFVSA-N 313.353 2.712 0 40 DFAB CCCNc1ccccc1NC(=O)[C@@H](C)N1CCSCC1 190141249 BMRAMEBYBKBDNL-CYBMUJFWSA-N 307.463 2.884 0 40 DFAB CC1(C)COc2c(C(=O)N3CCC(CC(=O)O)CC3)cccc21 570696246 KTEYOUONXFMTBW-UHFFFAOYSA-N 317.385 2.684 0 40 DFAB CC(C)(C)CNC(=O)CCc1nc(-c2cccc(F)c2)no1 225801911 XGJIOVGKIRISTF-UHFFFAOYSA-N 305.353 2.971 0 40 DFAB COCC[C@H](NC(=O)[C@@]1(C)CCCN1)c1ccc(Cl)cc1 195554341 NPXBQUPGMJSCOM-GOEBONIOSA-N 310.825 2.676 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cnccn1 195531097 BJVIYXRRZSLWKX-BMFZPTHFSA-N 305.422 2.809 0 40 DFAB C[C@@H](C(=O)N1CCCSc2ccc(F)cc21)n1cncn1 190434626 KMEOBAHFDALBFI-JTQLQIEISA-N 306.366 2.507 0 40 DFAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(Cc3cccs3)C2)C1 96215808 VQMXOMBHQMPIBW-FUHWJXTLSA-N 320.502 2.928 0 40 DFAB COc1ccc2c(c1)CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2 90548358 RNMUFHRLLMSOHE-KRWDZBQOSA-N 321.373 2.532 0 40 DFAB COc1nc(C)cc(C)c1CNCc1ccc([S@](C)=O)cc1 96461181 DKARJAYROIUIPE-JOCHJYFZSA-N 318.442 2.734 0 40 DFAB COc1cccc(S[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 96424852 FTGLXFFGOWJYPJ-OAHLLOKOSA-N 317.414 2.716 0 40 DFAB c1cc(CO[C@H]2CO[C@@]3(CCCN(CC4CC4)C3)C2)ccn1 96107310 VPFGTOWIZVTAEL-MSOLQXFVSA-N 302.418 2.632 0 40 DFAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN2Cc2cccnc2)n1 257250698 JNQFBUULAZIRIM-OAHLLOKOSA-N 320.400 2.907 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257309387 UASKIMYYWXVPCT-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB CCn1cc(S(=O)(=O)N[C@@H](C)c2cc(C)sc2C)cn1 263880568 LVHAMNNBFOPSAQ-JTQLQIEISA-N 313.448 2.621 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccc(Cl)c1 298141485 OMHXNKAASDZWKM-SMDDNHRTSA-N 308.809 2.651 0 40 DFAB C[C@@H](N)CCc1ccc(-c2cc3c(cc2CO)OCCO3)cc1 585124244 PKSDNRCKLTUCPJ-CYBMUJFWSA-N 313.397 2.897 0 40 DFAB O=C(NCc1nc(-c2ccccc2)no1)N1CCCCCC1 45458634 SEBVJTVXOFZKIW-UHFFFAOYSA-N 300.362 2.822 0 40 DFAB O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)nc1 36643976 OMNQKAKOGRNMDU-UHFFFAOYSA-N 317.414 2.551 0 40 DFAB COc1ccccc1NC(=O)CN1CCC(C(F)(F)F)CC1 72802235 BQICXBLZHWXRIB-UHFFFAOYSA-N 316.323 2.908 0 40 DFAB COc1cccc(C[C@H](C)NC(=O)NCCc2cccnc2)c1 75611055 BXKLTEGCADYVIZ-AWEZNQCLSA-N 313.401 2.563 0 40 DFAB Nc1ncncc1CNC(=O)Nc1cc(Cl)ccc1Cl 84343815 KLFAIVXCJFLGCQ-UHFFFAOYSA-N 312.160 2.687 0 40 DFAB CCOC(=O)[C@H](C)NC(=O)c1occc1-c1ccc(F)cc1 95433573 HAXMZGYJPDGUPV-JTQLQIEISA-N 305.305 2.767 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2CO 146302983 HWYMTKMDRWLTSQ-ZCGFOKECSA-N 303.446 2.892 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 5903978 LFVCGYVQEOBBTJ-UHFFFAOYSA-N 300.767 2.651 0 40 DFAB CC(=O)c1c2c3c(c(O)ccc3[nH]c1=O)C(=O)c1ccccc1-2 11851848 XRMILVDNNSJKDT-UHFFFAOYSA-N 305.289 2.648 0 40 DFAB COc1ccc(-c2cc(CC(=O)Nc3cc(C)on3)no2)cc1 12867180 HNHFJJGLXGAAML-UHFFFAOYSA-N 313.313 2.828 0 40 DFAB CCc1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 14165484 DOYFEAAICDHZGE-HNNXBMFYSA-N 310.353 2.977 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)c1C 14267198 FOHFZTYQQUXTBN-CQSZACIVSA-N 300.402 2.715 0 40 DFAB COc1cccc(-c2cc(O)n3nc(C(F)(F)F)nc3n2)c1 18240797 WBBWXOIRRRDAIE-UHFFFAOYSA-N 310.235 2.524 0 40 DFAB C[C@@H]1Cc2ccc3c(c2[C@@H](O)C1)C(=O)c1cccc(O)c1[C@H]3O 229938097 FDVOVSCQDWKKHH-DKWSPXAGSA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@]1(C)CCS(=O)(=O)C1 4505151 UMEVCMKDIDZXKL-KRWDZBQOSA-N 323.458 2.633 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2cnc3ccccc3n2)C1 1889175201 WUEQPKJIIDGFNO-CQSZACIVSA-N 306.369 2.991 0 40 DFAB CN(C)C(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 18028016 ATIXAIIVBXMCKY-UHFFFAOYSA-N 324.336 2.740 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccc(N2CCCC2)nc1 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C[C@H]1CCc2ccccc2N1CCCN1C(=O)NC(C)(C)C1=O 51620118 GTDJIMGLAVMZSG-ZDUSSCGKSA-N 315.417 2.548 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCn3c2nc2ccccc23)c1C 429437 GTUOGKLTJARDSV-UHFFFAOYSA-N 322.368 2.844 0 40 DFAB Cc1ccc2cc(C)c(SCC(=O)N3CCOCC3)nc2c1 932904 UEQXPPQGIWLPIH-UHFFFAOYSA-N 316.426 2.803 0 40 DFAB Cc1cc(CNC(=O)NCCOc2ccccc2C(C)C)no1 78925186 YJAULCMQQWUICB-UHFFFAOYSA-N 317.389 2.985 0 40 DFAB O=C(NC[C@H](O)C1CC1)Nc1cc(-c2ccccc2)ns1 78988555 JMXUEGNNBMVJST-ZDUSSCGKSA-N 303.387 2.703 0 40 DFAB C[C@](O)(CNC(=O)C1=Cc2ccccc2OC1)c1cccs1 78963837 ZTECLVOMCBRNPB-KRWDZBQOSA-N 315.394 2.548 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 4366658 BUWAXWHRGPFRET-FZKCQIBNSA-N 309.365 2.787 0 40 DFAB COc1ccc(CCNC(=O)CCc2c(C)noc2C)cc1 23227972 LOUSNWTUFNMZHB-UHFFFAOYSA-N 302.374 2.592 0 40 DFAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cnc2ccccc2c1 106762291 KTMWYMXCAFWKMR-YDHLFZDLSA-N 323.396 2.726 0 40 DFAB Cc1cccc([C@H]2CCCN2CC(=O)Nc2nncs2)c1 55909342 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O=C(NCC1(c2ccccc2)CC1)N1CC[C@]2(CCOC2)C1 89827702 STJSSHMNZJSYAG-KRWDZBQOSA-N 300.402 2.540 0 40 DFAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cn1 10742385 SQTXKSGSPRVBCT-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB C[C@@](NC(=O)c1cccs1)(C(N)=O)c1cccc(Cl)c1 89905196 ORUOQSSLEDELSO-AWEZNQCLSA-N 308.790 2.532 0 40 DFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N(CCc1cccc(F)c1)C1CC1 110681760 CMTAKPYNTWFDFV-BRWVUGGUSA-N 318.392 2.862 0 40 DFAB CC(C)c1cc(NC(=O)COC(=O)Cc2ccsc2)on1 23866746 VRPOTLGGIKKUNP-UHFFFAOYSA-N 308.359 2.584 0 40 DFAB CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 37988231 RUTDIVRTMCYPTQ-PWSUYJOCSA-N 302.827 2.982 0 40 DFAB O=C(OCCc1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 75610574 KKNVYEWWWNSYOU-HNNXBMFYSA-N 319.376 2.560 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1cc(CC(C)(C)C)nn1C 76069969 FYUBIDAPOYEUEE-GFCCVEGCSA-N 324.469 2.927 0 40 DFAB C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(C)(C)C1=O 12897669 HOFUXPVGRKTULA-NSHDSACASA-N 316.401 2.886 0 40 DFAB CCc1nnc(NC(=O)Cc2cc(Cl)ccc2OC)s1 8988004 MRDXLJZMHSARTI-UHFFFAOYSA-N 311.794 2.944 0 40 DFAB O=C(O)C[C@@H](NC(=O)COc1ccc(F)cc1)c1cccs1 13388394 UYHMXOUCBAZSQI-GFCCVEGCSA-N 323.345 2.598 0 40 DFAB Cc1cncc(C(=O)N(C)c2ccc(OCCN(C)C)cc2)c1 95403549 WIICZHYDBKZGQN-UHFFFAOYSA-N 313.401 2.607 0 40 DFAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccnc1 5164371 QXPARXCPJXNCHC-UHFFFAOYSA-N 321.380 2.894 0 40 DFAB CC(C)n1cnnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 4407965 ZBQHBHPEMZDUPF-SNVBAGLBSA-N 315.402 2.949 0 40 DFAB CCc1cc2c(Nc3cnn(CCOC)c3)ncnc2s1 65575716 GYIDEAHXDIDFSN-UHFFFAOYSA-N 303.391 2.840 0 40 DFAB O=C(CCCn1cccn1)N1CCC(c2ccc(O)cc2)CC1 65531595 FKUCUXGVQPRURG-UHFFFAOYSA-N 313.401 2.775 0 40 DFAB COC(C)(C)C[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1F 96001982 WODRSWZWPOFZMK-SNVBAGLBSA-N 321.389 2.588 0 40 DFAB C/C=C/C=C/C(=O)OCC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 6542374 OOYISBWDDZRYKJ-ZIRGRKGMSA-N 319.357 2.666 0 40 DFAB COc1cc(N[C@@H]2CCCN(c3ncccn3)C2)cc(OC)c1 95413924 ANFUNYQNXDQPBG-CYBMUJFWSA-N 314.389 2.575 0 40 DFAB 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DFAB Cc1nc2ccc(NC(=O)Cn3c(C)csc3=O)cc2s1 8394983 PTKIXXNJVZRYDD-UHFFFAOYSA-N 319.411 2.775 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NCCC1CCCCC1 408708241 WDXBPQHKFCPTKQ-UHFFFAOYSA-N 302.418 2.698 0 40 DFAB Cc1noc(C)c1CN(C)[C@H]1CCN(c2ccccc2F)C1=O 71900644 YVIAJJJJWSSHHR-INIZCTEOSA-N 317.364 2.668 0 40 DFAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccnc1 23127327 HHBQGBUSJOVHJA-UHFFFAOYSA-N 323.308 2.647 0 40 DFAB Cc1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1 9690089 BKIXDJYZEUJBJO-UHFFFAOYSA-N 324.296 2.503 0 40 DFAB CCc1ncc2c(n1)CN(Cc1ccn(-c3ccccc3)n1)CC2 69950976 SZQHGIWCYKEZON-UHFFFAOYSA-N 319.412 2.783 0 40 DFAB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 8747543 DRECVCURAFKMGX-MLGOLLRUSA-N 313.401 2.622 0 40 DFAB CC(C)(O)[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1 95994315 WJLLLIJTGBCCED-HNNXBMFYSA-N 314.389 2.640 0 40 DFAB Cc1nc(C)c(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 84090866 BCNAIMLASQAXKQ-OCCSQVGLSA-N 316.492 2.548 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@H]2CCC[C@@H]21 72286946 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FYGLIVNQFQHICT-RYUDHWBXSA-N 301.839 2.562 0 40 DFAB CCOc1ccc(CNc2cc(S(C)(=O)=O)ccc2F)nc1 95417947 SPHPZFJHLHGLHF-UHFFFAOYSA-N 324.377 2.635 0 40 DFAB Cc1onc(-c2ccccc2)c1-c1cccc(S(N)(=O)=O)c1 95093219 QHTHRXSCXPHAHP-UHFFFAOYSA-N 314.366 2.964 0 40 DFAB O=C(O)[C@H](c1ccccc1F)N1CC[C@@H](O)[C@H](C2CCCC2)C1 578551663 CKANNWCNPPNCFD-UAGQMJEPSA-N 321.392 2.824 0 40 DFAB C[C@@H](C(=O)O)[C@H](NC(=O)c1cccc2cn[nH]c12)c1ccccc1 97228712 ONGZEUGFRJHMQU-ABAIWWIYSA-N 323.352 2.755 0 40 DFAB OCC1(NCc2cnc(-c3cccs3)s2)CCOCC1 96459568 NXMTUPUUQWWZHM-UHFFFAOYSA-N 310.444 2.503 0 40 DFAB CCC(CC)CN1CCC2(CC1)CN(c1cccnc1)C2=O 96202969 NQMBWCGHPYBBRH-UHFFFAOYSA-N 301.434 2.947 0 40 DFAB c1csc(-c2noc(CN3CCOC[C@@H]3C3CCC3)n2)c1 516925643 WCUMRHKMDDDYOI-GFCCVEGCSA-N 305.403 2.799 0 40 DFAB c1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)c1 96040593 AFCIHJXLSXKZLJ-UAGQMJEPSA-N 306.475 2.823 0 40 DFAB CCNC(=O)c1cc(Br)cnc1OCC(C)C 96510491 JBWMZOKCFATJMQ-UHFFFAOYSA-N 301.184 2.629 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CN(CC2CC2)CC12CCOCC2 96052265 MZWQBIIXNRVPCK-KRWDZBQOSA-N 314.429 2.764 0 40 DFAB CCNC(=O)c1ccc(OC(=O)c2ncoc2C(C)C)cc1 96407264 GCCHFYCCLQARMB-UHFFFAOYSA-N 302.330 2.767 0 40 DFAB Cc1nnc(CN(C)[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)o1 245339029 QBJILTMHDMSISW-RHSMWYFYSA-N 314.433 2.720 0 40 DFAB O=C(c1ccccc1C(F)(F)F)N1CCC(n2nccn2)CC1 253405911 TYQGVFPCBQHNJT-UHFFFAOYSA-N 324.306 2.774 0 40 DFAB CCOc1ccc(CN2CC[C@H](c3[nH]ncc3C)C2)cc1CO 257339579 ZCJUNYUHKYNINI-HNNXBMFYSA-N 315.417 2.599 0 40 DFAB Cn1nccc1C(=O)N1C[C@H]2CCC[C@H](Cc3cccnc3)[C@H]2C1 257271278 MXQGNXUXMHRNEU-BRWVUGGUSA-N 324.428 2.546 0 40 DFAB COc1ccc(C(=O)NCCn2cc(-c3ccccc3)cn2)cc1 253472911 QPRVKMJSWZOKKS-UHFFFAOYSA-N 321.380 2.989 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(Cc2ccc(F)cn2)C1 257313505 USWKAAXTQGSKCK-CYBMUJFWSA-N 315.396 2.507 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1ccc(Cl)cc1F)CC2 257216791 CWBHYCVVYXALJG-OAHLLOKOSA-N 313.800 2.985 0 40 DFAB O=S(=O)(c1cccs1)N1CCC[C@@H](Cc2ccccn2)C1 257242083 IBASJGRNCIIQLO-ZDUSSCGKSA-N 322.455 2.787 0 40 DFAB CCO[C@@H]1C[C@H](N[C@H]2CCc3nc(C)cn3C2)C12CCCC2 252486588 LZGUFXHAHGLLLM-HRCADAONSA-N 303.450 2.834 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)n1 257241911 IAFDLFWLTPSEMO-ZDUSSCGKSA-N 318.446 2.740 0 40 DFAB CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1 25053364 KKIYLNWEVZRCDJ-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB CCN(C(=O)c1ccnc(C(=O)O)c1)[C@H](C)Cc1ccsc1 263061604 SSTSTEBQXDCYFV-LLVKDONJSA-N 318.398 2.935 0 40 DFAB O=C(CN1CCC[C@@H]1c1cccc(Cl)c1)Nc1nncs1 53158159 CTQCCGWZDCPQME-GFCCVEGCSA-N 322.821 2.967 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(F)cc1Cl 95411334 YWWTYLSHHWDXLM-YMTOWFKASA-N 314.788 2.952 0 40 DFAB CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)C2CC2)no1 96000610 NVSHUOZEWASSFH-LBPRGKRZSA-N 313.423 2.602 0 40 DFAB O=C(CCNc1ccc(C(F)(F)F)cn1)N1CCCCC1 79941453 ZXXCEIMSMUFTPH-UHFFFAOYSA-N 301.312 2.915 0 40 DFAB CC(C)(C)OC(=O)N1CC2(C1)Nc1cccnc1-n1cccc12 91303012 ZQEILKKPKROLED-UHFFFAOYSA-N 312.373 2.744 0 40 DFAB in-vitro c1ccc2oc(N3CCN(c4ccnc(C5CC5)n4)CC3)nc2c1 171926688 GHGRLSGLQBIFLI-UHFFFAOYSA-N 321.384 2.822 0 40 DFAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(C(F)F)C1 585391700 QNBDHPGKOSSXKM-UHFFFAOYSA-N 315.263 2.591 0 40 DFAB CN(Cc1nnsc1Cl)Cc1nc2ccccc2n1C 96449184 DXAMGVLLIQBTIO-UHFFFAOYSA-N 307.810 2.710 0 40 DFAB CC(C)N1CCC(N2CCC[C@H](O)[C@@H]2Cc2ccccc2)CC1 1615160127 YOQNNNQXJIQUJI-PMACEKPBSA-N 316.489 2.927 0 40 DFAB O=C(Sc1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 5635569 LGTACHCZVLKFSG-UHFFFAOYSA-N 300.314 2.995 0 40 DFAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccccc1 12694339 OEWVDOHGIAUIJD-PBWFPOADSA-N 315.369 2.564 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 16849554 IAPWYWGRMQEQIC-JOZWUWCOSA-N 313.328 2.795 0 40 DFAB C[C@@H](NC(=O)c1n[nH]c2c1COc1ccccc1-2)c1ccccn1 19656647 LFYIDCZCBJCAAZ-LLVKDONJSA-N 320.352 2.855 0 40 DFAB Cc1ccccc1S(=O)(=O)NCc1ccc(N)cc1Cl 158444912 QQQCDGOBVGHRTG-UHFFFAOYSA-N 310.806 2.709 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)C1CC1 1888849481 URNFYFNRJYCPJS-LLVKDONJSA-N 313.323 2.595 0 40 DFAB CN(C(=O)CCc1ccccc1F)C1CN(c2ccccn2)C1 1888866527 DWKICOIGGXFJLG-UHFFFAOYSA-N 313.376 2.501 0 40 DFAB Cc1ncnc(N2CC[C@H](COc3ccc(F)cn3)C2)c1C 1889091898 FVVVZZHQTWGHEP-ZDUSSCGKSA-N 302.353 2.533 0 40 DFAB COc1cc(C(=O)N2CCc3ccccc32)cc2c1OCCO2 21278363 CNBZXGVNVUXGLF-UHFFFAOYSA-N 311.337 2.669 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)OCc2ccccc2)[C@@H](F)C1 1857794614 FBYGMVDQUKLNLB-KGLIPLIRSA-N 323.364 2.935 0 40 DFAB CCCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195540 CQNBOUOPEIKFFR-GFCCVEGCSA-N 309.797 2.545 0 40 DFAB Cc1cc(NC2CCN(C(=O)c3ccccc3F)CC2)ncn1 301228682 GMRGOYZYFKXWNG-UHFFFAOYSA-N 314.364 2.641 0 40 DFAB CCn1nc(C(=O)N[C@@H](C)c2ccco2)c2ccccc2c1=O 20020555 YOJLMXSXDFOSLI-NSHDSACASA-N 311.341 2.500 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1ccnc(Cl)c1 30318125 FOOAHTLXDJLSCN-UHFFFAOYSA-N 315.804 2.523 0 40 DFAB Cc1c(NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 44356 TWAXSNQMTXARTQ-UHFFFAOYSA-N 307.353 2.737 0 40 DFAB C[C@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 40526641 BNFBREKCFJHFOF-LBPRGKRZSA-N 308.345 2.545 0 40 DFAB O=C(Cc1cccs1)NCc1ccccc1Cn1ccnc1 32859983 KQXPSVLLJHCJPL-UHFFFAOYSA-N 311.410 2.852 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 32912571 ZFTPQNFVBJKYHB-AWEZNQCLSA-N 322.311 2.829 0 40 DFAB Cn1cc([C@@H]2CC(=O)N(c3ccccc3O)C2=O)c2ccccc21 490904 FDBJQBVXVGNJGD-ZDUSSCGKSA-N 320.348 2.931 0 40 DFAB biogenic Nc1cccc2c1c1c(n2S(=O)(=O)c2ccccc2)CCC1 478174 BOILBXFXLDZAJW-UHFFFAOYSA-N 312.394 2.949 0 40 DFAB Cc1cc(CNC(=O)CSc2nncn2C(C)C)ccc1F 21974436 SZKKZLXCRKHLHW-UHFFFAOYSA-N 322.409 2.715 0 40 DFAB NC(=O)c1ccc(CSc2nnc(N3CCCC3)s2)cc1 52912644 AJURYDAEMRHIID-UHFFFAOYSA-N 320.443 2.530 0 40 DFAB Cc1nn(Cc2nnc(C(C)(C)C)o2)c(C)c1Br 78996486 YNZIQQVDNYEMPD-UHFFFAOYSA-N 313.199 2.991 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(C(C)(C)C)cs1 22744388 ROQOICMBGJVEAG-UHFFFAOYSA-N 306.435 2.972 0 40 DFAB CC(C)c1ccc(NC(=O)c2snc3c(=O)[nH]cnc23)cc1 6493460 VOKBPPCPNLXJHD-UHFFFAOYSA-N 314.370 2.755 0 40 DFAB O=C(Oc1ccc(Cl)cc1)c1ccc(-n2cncn2)nc1 3128702 FMZGJWYVOLQMRE-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB COc1ccc([C@@H](CC(=O)O)CC(=O)N2CCCCC2)cc1 57634503 SZNFYQKLIAUXAD-CQSZACIVSA-N 305.374 2.656 0 40 DFAB Cc1ccccc1CCNC(=O)CSc1nccn1C1CC1 12539912 QEMPECDRNCYAAA-UHFFFAOYSA-N 315.442 2.977 0 40 DFAB CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)c1ccccc1)C2=O 24093078 JPZPLYRBIFQYLL-NSWWBONSSA-N 316.401 2.611 0 40 DFAB COC(=O)CCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 43085961 IBCJBQWRGZFBSO-LLVKDONJSA-N 313.806 2.946 0 40 DFAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H]1c1ccncc1 56403376 KBBHHSNMPVLTHF-ZWKOTPCHSA-N 321.380 2.938 0 40 DFAB COC(=O)c1ccc(F)c(NCc2nc(-c3ccco3)no2)c1 44074186 PWZWJBQUBWACCF-UHFFFAOYSA-N 317.276 2.867 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@@H]1CCCO1 57420789 FVVOUAMMSYYRCI-STQMWFEESA-N 313.401 2.976 0 40 DFAB CC1(C)NC(=O)N(CCCSc2nc3ccccc3o2)C1=O 48237613 WKJGEHBVBXPQBU-UHFFFAOYSA-N 319.386 2.640 0 40 DFAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](C(F)(F)F)C1 10287477 FZUULEXZQQXWHW-NSHDSACASA-N 324.306 2.682 0 40 DFAB CCN(CC)c1ccc(NC(=O)CCc2cscn2)cn1 58244857 MPIGNUCPPSQIIQ-UHFFFAOYSA-N 304.419 2.956 0 40 DFAB CCn1nc(C)c2c(C(=O)N3CCC[C@H](C)C3)cc(C)nc21 28222294 CGMBTKYPDWDFFO-NSHDSACASA-N 300.406 2.940 0 40 DFAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1c1ccsc1 58355041 ONEPYOWGDNUTIU-WCQYABFASA-N 302.403 2.702 0 40 DFAB CCOC(=O)C(NC(=O)c1ccc(OC)cc1)=C(Cl)Cl 28293777 MTYWOSYTWFWCTI-UHFFFAOYSA-N 318.156 2.635 0 40 DFAB CN(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1 3310949 QHZSBEARJCINKH-UHFFFAOYSA-N 323.352 2.774 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](C)C1 11497972 DQSIQRHQWJCXHJ-NSHDSACASA-N 302.399 2.979 0 40 DFAB CCn1cc(CN(C)C(=O)Nc2cccc(C(C)=O)c2)cn1 28222049 UYAHQBBBTANTBM-UHFFFAOYSA-N 300.362 2.770 0 40 DFAB COc1ccc(-c2noc([C@H](N)CCSC)n2)cc1OC 36820235 BRIUMIJNJZMYMY-SNVBAGLBSA-N 309.391 2.507 0 40 DFAB O=C(c1cnn2cccnc12)N(Cc1ccco1)Cc1ccco1 45919404 FLUQZKLNAIADQZ-UHFFFAOYSA-N 322.324 2.758 0 40 DFAB CC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)cc1 12800949 TWXIEUKPMPUQEI-KRWDZBQOSA-N 321.384 2.852 0 40 DFAB C[C@@H](OC(=O)c1ccccc1O)C(=O)N1CCc2ccccc21 3544538 AZVZFWVPWMIUBC-GFCCVEGCSA-N 311.337 2.527 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1 12935485 LMCZUAPFTBXLOQ-NSHDSACASA-N 312.329 2.779 0 40 DFAB COc1cccc(NC(=O)NC[C@H](c2ccco2)N(C)C)c1 13048769 YAEVDUYNZOLFMM-CQSZACIVSA-N 303.362 2.713 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2cc(C3CCCC3)nn2C)n1 97081596 PPVSMRDQEQCCRE-UHFFFAOYSA-N 301.394 2.530 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1 5061884 JTMLQTVAWWZLQB-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB O=C(NCCSCc1cccs1)c1ccc2[nH]nnc2c1 9156837 DHJSTVYTMJWTLS-UHFFFAOYSA-N 318.427 2.683 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN(C)c1ccccc1 65860274 XHFYPAGVGMEUQU-UHFFFAOYSA-N 308.385 2.658 0 40 DFAB COc1ccc(F)cc1COn1nnc2ccc(Cl)cc21 14319315 QCHCOYWOMAVTAD-UHFFFAOYSA-N 307.712 2.861 0 40 DFAB O=C1C[C@@H](c2nc(-c3ccncc3)no2)CN1c1ccccc1 9317978 OUCMYUDBRHAVGO-CYBMUJFWSA-N 306.325 2.652 0 40 DFAB Cc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)cc1Cl 4688418 VAEWWGJAXOCALX-MDWZMJQESA-N 301.733 2.619 0 40 DFAB C/C=C/CSc1nc2ccccc2c(=O)n1CCC(=O)OC 9364289 AZSYVMCCXIPMFH-ONEGZZNKSA-N 318.398 2.628 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)no1 72232314 SPLBECLNYYXGFR-CYBMUJFWSA-N 303.362 2.916 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)c(F)c1 66945304 WIJVXSYXUSWREL-ZDUSSCGKSA-N 306.381 2.535 0 40 DFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 7378529 OKVOKAXXRUWKDK-ZDUSSCGKSA-N 324.380 2.801 0 40 DFAB CCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 7643380 KADZMBWRKWEAIQ-VPIOIWJLSA-N 315.200 2.647 0 40 DFAB O=C1C[C@@H](c2ccccc2)N(C(=O)CC2CCCC2)CCN1 71821261 MGEZVHZCBQZSTE-INIZCTEOSA-N 300.402 2.657 0 40 DFAB C[C@H]1CCC[C@@H](N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1 69138121 WOFOXUPINVDISN-QWHCGFSZSA-N 314.451 2.540 0 40 DFAB C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 71857436 FKSMAAIZAVYMJK-SUMWQHHRSA-N 312.413 2.613 0 40 DFAB COCC[C@H](C)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 69483709 VCCMVLMTDCUPLV-BBRMVZONSA-N 322.405 2.791 0 40 DFAB O=C(NCc1cccc2c1OCCO2)c1ccc2cc[nH]c2c1 69484479 GKFPHABOAPHEJS-UHFFFAOYSA-N 308.337 2.869 0 40 DFAB CC1(CCNC(=O)N[C@H]2CC(C)(C)c3ccccc32)OCCO1 97115858 TXGFRACHQSZGGP-HNNXBMFYSA-N 318.417 2.861 0 40 DFAB O=C1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)N1 69819411 UEZJDPODXHNROC-ZBFHGGJFSA-N 320.820 2.966 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccs1 69902526 JBFJTLYHYOSMQZ-QMTHXVAHSA-N 320.370 2.527 0 40 DFAB O=C(NCCc1ccc(Cl)cc1Cl)C1=COCCO1 8748332 IXCQUZHBHRVTJQ-UHFFFAOYSA-N 302.157 2.540 0 40 DFAB COc1cc2c(cc1CNC(=O)CCc1ccco1)O[C@H](C)C2 95430969 VPWWCCLZZFIKPW-GFCCVEGCSA-N 315.369 2.861 0 40 DFAB Cc1ccc2c(c1C)OC[C@H]2NCc1cc(C(N)=O)cs1 95427534 VIAFABUGXGFUDW-CQSZACIVSA-N 302.399 2.687 0 40 DFAB Cc1cscc1C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450461 SKNLNIBVXBJETC-WFASDCNBSA-N 318.442 2.672 0 40 DFAB C[C@H](CN1CCOCC1)OC(=O)c1cc2c(s1)CCCCC2 95997332 AIPJHQCGHPCUFM-CYBMUJFWSA-N 323.458 2.895 0 40 DFAB CC1(C)C[C@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1 95969349 GFXXSEUXFHCSLY-CVEARBPZSA-N 316.445 2.837 0 40 DFAB C[C@H](NC[C@@H](C)CS(C)(=O)=O)c1ccc(F)c(Cl)c1 95984595 IGJKJJFXTKBLRO-ZJUUUORDSA-N 307.818 2.810 0 40 DFAB Cc1nc(C)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 89201503 PGUKOIYUQRUTBH-LLVKDONJSA-N 316.188 2.642 0 40 DFAB CC(=O)Nc1nc(CN2CCCC[C@@H]2c2ncc[nH]2)cs1 89265671 AMUZFJRTKCHVIW-GFCCVEGCSA-N 305.407 2.552 0 40 DFAB Cn1nccc1COC(=O)c1cc(F)c(Cl)nc1Cl 89741135 FZAHRHMUQDOLAD-UHFFFAOYSA-N 304.108 2.618 0 40 DFAB CCCC(=O)N1CCCN(C(=O)Nc2ccc(C)s2)CC1 75411242 FLZILKAFZVQAIC-UHFFFAOYSA-N 309.435 2.923 0 40 DFAB CC[C@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@H](C)O1 89948310 GYTANMXIKCBXFD-BBRMVZONSA-N 313.401 2.944 0 40 DFAB COc1cc([C@H]2CNCc3cc(OC)c(OC)cc32)ccc1O 1719373 NEGANGKLGKFYLC-CQSZACIVSA-N 315.369 2.653 0 40 DFAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 32585684 GIARJVBRDWVMKF-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cc1nc(C(C)C)oc1C(=O)NC1CC(N2CCCCC2)C1 551990419 YTSCBECQAPGQCX-UHFFFAOYSA-N 305.422 2.853 0 40 DFAB C[C@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 70639576 XSJKWGSINJYUEZ-KRWDZBQOSA-N 312.325 2.572 0 40 DFAB O=C(O)COc1ccc2c(c1)CCC(=O)N2CC1CCCC1 218796489 YZLPLCNPVYUWFU-UHFFFAOYSA-N 303.358 2.619 0 40 DFAB CNC(=O)c1sc2ncccc2c1C1CCC(CN)CC1 72343474 OQDPBJNIMZWYPO-UHFFFAOYSA-N 303.431 2.888 0 40 DFAB Cn1cnc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21 74705496 BCHXDWQVYOWNRN-UHFFFAOYSA-N 320.396 2.536 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1C 72239099 LTUMLRJIRRNOEB-UHFFFAOYSA-N 315.345 2.599 0 40 DFAB O=C(/C=C/c1cccs1)N1CCC[C@H](Oc2cccnn2)C1 225452373 GWGKUBFAASVGKO-GWJCSSMESA-N 315.398 2.621 0 40 DFAB C[C@H]1CCSCCN1C(=O)Nc1ccc(-n2cccn2)nc1 192067863 ZQKRSPGABUHZOO-LBPRGKRZSA-N 317.418 2.627 0 40 DFAB Cc1ccccc1OCCNS(=O)(=O)Cc1ccccc1F 224182902 IGAKXIMTJJJABF-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB COCCOC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 81263525 NXYGKAMPNSOXFU-CYBMUJFWSA-N 311.809 2.774 0 40 DFAB CCN(c1cccnc1)S(=O)(=O)C1=Cc2ccccc2OC1 195578780 HQLORHBDHAOUNV-UHFFFAOYSA-N 316.382 2.671 0 40 DFAB CCOc1cccc(CNC(=S)Nc2ncccc2OC)c1 225441316 BEBFNPJLUYFNLH-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB CC[C@@H](Cc1ccccc1)NC(=O)NCC[S@](=O)C(C)(C)C 96408866 VNFVZHITHCCLSV-OYHNWAKOSA-N 324.490 2.854 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@@H]1COCCO1 96408112 YSDGKLMAYZUTKX-GJZGRUSLSA-N 317.410 2.564 0 40 DFAB COc1ccc2c(c1)N(Cc1cnc3ncccn13)C[C@H](C)O2 97101636 VZFCYKZXEKDCBE-LBPRGKRZSA-N 310.357 2.525 0 40 DFAB Fc1cnc(N2CCC[C@]3(CCN(Cc4ccco4)C3)C2)nc1 96047171 DMAFELXCNMXSFD-QGZVFWFLSA-N 316.380 2.701 0 40 DFAB CN1CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2 96071409 DUUFXENGUSKNDI-LJQANCHMSA-N 309.413 2.935 0 40 DFAB C[C@]1(O)CN(Cc2ccccn2)CC[C@@H]1Oc1cccc(F)c1 257275203 NOIKDEATZAPGCH-ROUUACIJSA-N 316.376 2.625 0 40 DFAB O=C(CN1CCOCC1)Nc1cccc(Oc2ccccc2)c1 25777149 XZLNDXPUCJMRLZ-UHFFFAOYSA-N 312.369 2.750 0 40 DFAB CCS(=O)(=O)c1ccccc1NC[C@@H](N)c1ccccc1 62838572 LAOZWCFUMWARLS-CQSZACIVSA-N 304.415 2.592 0 40 DFAB COc1ccccc1[C@@H]1CN(C(=O)c2ccsc2)CCN1C 257316431 VFOAQTPLUOXDEL-HNNXBMFYSA-N 316.426 2.886 0 40 DFAB CN(C)C(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260658795 MTRVLIPQGIWVEE-WHOFXGATSA-N 317.458 2.863 0 40 DFAB O=C(NCc1ccncc1)c1cc(OCc2ccccc2)no1 90610026 JBEPTBHHLOILDA-UHFFFAOYSA-N 309.325 2.579 0 40 DFAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 575402734 GGCVWYLRMNQDOH-HNNXBMFYSA-N 318.417 2.514 0 40 DFAB COc1ccc(NC(=O)NCCCNc2ccncc2)cc1 72278776 LYROFJRENXBVIG-UHFFFAOYSA-N 300.362 2.714 0 40 DFAB CON(C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 43728665 BIISTJBVMLYQMT-UHFFFAOYSA-N 315.304 2.971 0 40 DFAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)NC3CC3)cc21 55340346 JIVHVXQADYTAEZ-UHFFFAOYSA-N 317.389 2.742 0 40 DFAB c1nc(OCC2CCN(c3nncs3)CC2)cc(C2CC2)n1 1565522519 SAYXPTZDTZSJRQ-UHFFFAOYSA-N 317.418 2.501 0 40 DFAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 5197701 HKAWCARYPULOGM-ZWKOPEQDSA-N 308.378 2.532 0 40 DFAB COc1cc2c(cc1O)-c1cc3ccc4c(c3c[n+]1CC2)OCO4 5526682 BNXZOIDSAUKXGW-UHFFFAOYSA-O 322.340 2.793 0 40 DFAB biogenic COc1cc(C)c(C(=O)CCC(=O)N[C@@H]2CCCOC2)cc1C 12194431 ZPWDUJTZCLILRJ-CQSZACIVSA-N 319.401 2.570 0 40 DFAB C[C@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1 13127129 CXCQJULFABDADJ-WCQYABFASA-N 323.356 2.917 0 40 DFAB COc1ccc(F)c(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 162175589 ZVERRPPFFFFJLM-VIFPVBQESA-N 306.341 2.619 0 40 DFAB Cc1cc(CNS(=O)(=O)N2CCCC2)c2[nH]c(C)c(C)c2c1 12239405 TUSXFSCFLIZYOC-UHFFFAOYSA-N 321.446 2.523 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(N)cc2OC)c1 20343403 ZLOXXSRCVTVWTQ-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB C[C@@H](OC(=O)c1cccc(O)c1)c1nc2ccccc2c(=O)[nH]1 5665830 LMRZDMNGUCMDGA-SNVBAGLBSA-N 310.309 2.547 0 40 DFAB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(Cl)cn1 6291393 LRFXUTPHKZMPJL-MNOVXSKESA-N 308.765 2.962 0 40 DFAB O=c1c(=O)n(-c2cccc(F)c2)ccn1CC1CCCCC1 2086949967 DQQVKIXXYXOVGS-UHFFFAOYSA-N 302.349 2.719 0 40 DFAB COc1cccc2cc(-c3nc(-c4cccnc4)no3)c(=O)oc12 6868016 IWAZNEBFIALKQZ-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB CCC(CC)CN1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 2055772803 HBJYKUUBLIOYOT-LJQANCHMSA-N 324.509 2.626 0 40 DFAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1ccco1 23127201 CTBGTLILZRGXLQ-UHFFFAOYSA-N 300.289 2.933 0 40 DFAB CC(C)(C)OC(=O)N1CC(=CC(=O)OCc2ccccc2)C1 98095820 GSHKODJJOFCOBY-UHFFFAOYSA-N 303.358 2.907 0 40 DFAB CN(C(=O)c1ccc(-c2ccccn2)[nH]c1=O)C(C1CC1)C1CC1 50681715 IHFIZHIOMPGYBC-UHFFFAOYSA-N 323.396 2.698 0 40 DFAB C=CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405261 COAFJQIVTUUMHB-UHFFFAOYSA-N 319.714 2.588 0 40 DFAB Cc1noc(CSc2nc(N)c3c(C)c(C)sc3n2)n1 31823168 LPTREQHVNLTPBM-UHFFFAOYSA-N 307.404 2.874 0 40 DFAB CCc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)cc1 101279244 CBDMMLUXXBUSJP-KWRZAIAESA-N 311.381 2.956 0 40 DFAB O=C(CCc1cccs1)NCc1ccnc(-n2cccn2)c1 32818477 MNNMNJLCCCUQFX-UHFFFAOYSA-N 312.398 2.578 0 40 DFAB CCn1c(=O)n(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc21 22194353 HODVBDXNGRIFNW-KBPBESRZSA-N 315.417 2.612 0 40 DFAB CCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O 52340 FKOMJLCCCQQWKU-UHFFFAOYSA-N 324.174 2.961 0 40 DFAB CC(C)OCCOC[C@@H](O)CN(C)Cc1ccccc1Cl 78254851 FUSOSWFLPYOXOO-HNNXBMFYSA-N 315.841 2.574 0 40 DFAB COCCN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CCCC1 78287163 PJMWZOWGYWYIKN-UHFFFAOYSA-N 314.385 2.559 0 40 DFAB N[C@@H](CCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608377 JITNRAXEOGIKMS-HDICACEKSA-N 324.424 2.967 0 40 DFAB CNC(=S)Nc1ncn(Cc2ccc(Cl)cc2Cl)n1 2774950 PEUFPVUYLRXOMI-UHFFFAOYSA-N 316.217 2.549 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2)n1 6968593 WEXAWZYHPRNECU-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cc1cccnc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 43167525 ILQHSTVAXUDQSN-CQSZACIVSA-N 314.389 2.942 0 40 DFAB O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccnc(-n2ccnc2)c1 55656338 GCCXQTZJLAGPMR-MRXNPFEDSA-N 322.343 2.824 0 40 DFAB O=C1NCCCC[C@H]1Sc1nc(CCC2CCCC2)n[nH]1 25455947 STJCGTZDYLRNLI-GFCCVEGCSA-N 308.451 2.688 0 40 DFAB Cn1ccnc1COc1ccc(C(=O)OCc2ccccn2)cc1 95350207 CLYOBYRVFWOBTI-UHFFFAOYSA-N 323.352 2.751 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2 107501258 ZVNMEARWVFJQOF-SMLCLMEVSA-N 321.461 2.591 0 40 DFAB CS(=O)(=O)Nc1ccc(Nc2ncnc3ccccc23)cc1 26711034 WHLGIHGZEUHCFB-UHFFFAOYSA-N 314.370 2.745 0 40 DFAB COc1cc(NC(=O)N(CCN(C)C)CC(C)C)cc(OC)c1 72314435 NQESYTADOQKCFJ-UHFFFAOYSA-N 323.437 2.755 0 40 DFAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)N[C@@H]1CCCC[C@@H]1C 110494913 YRVUYMPRNKRDFL-YETSSQPJSA-N 305.374 2.919 0 40 DFAB CN(C)c1cc(CNC(=O)NCc2ccc(Cl)s2)ccn1 44954655 GLIFWSSLFACMLZ-UHFFFAOYSA-N 324.837 2.862 0 40 DFAB Cc1csc(CNC(=O)Nc2cccnc2N2CCCC2)n1 44952070 JQUINHPQAPVOOZ-UHFFFAOYSA-N 317.418 2.768 0 40 DFAB COc1ccc(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 101275248 WBFTVWZUOBLDNN-HNNXBMFYSA-N 310.353 2.748 0 40 DFAB CC[C@H](CCNC(=O)c1cc(C2CC2)[nH]n1)n1cc(Cl)cn1 36613766 LQZQXCIRKUYEFS-GFCCVEGCSA-N 321.812 2.908 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(F)cc2F)no1 28879115 AGSBSJIXQZSZHF-VHSXEESVSA-N 309.316 2.939 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)CCOc2ccc(F)cc2)cc1 28942825 WELPHEXNLKFRDZ-UHFFFAOYSA-N 323.389 2.834 0 40 DFAB CCc1ccc(-c2csc(NC(=O)CCNC(C)=O)n2)cc1 2645791 MLXQVXNXNNBTPU-UHFFFAOYSA-N 317.414 2.837 0 40 DFAB CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1C 2636147 OSQYWENEPCHKAX-UHFFFAOYSA-N 318.446 2.879 0 40 DFAB Cc1csc(NC(=O)COC(=O)c2cc3c(s2)CCC3)n1 9070631 GLOAICDTIKUCGZ-UHFFFAOYSA-N 322.411 2.797 0 40 DFAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(-n2cccn2)cc1 97048656 NCBBETZHQVNMJC-QWHCGFSZSA-N 300.362 2.513 0 40 DFAB CCCCN(CCO)CC(=O)N1CCC[C@H]1c1cccs1 49800514 JGVRUDDTWMOWEA-AWEZNQCLSA-N 310.463 2.506 0 40 DFAB CSc1ccc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 65528625 HVOHHWKIYMBNPN-INIZCTEOSA-N 316.382 2.969 0 40 DFAB CCN(Cc1ccco1)C(=O)Cn1ccc(=O)c2ccccc21 65504784 APTRQYFZFAXPFZ-UHFFFAOYSA-N 310.353 2.643 0 40 DFAB CC(=O)c1cnn(-c2cc(N3CCCC[C@H]3C)nc(C)n2)c1C 5427130 ZGIQVBZDHONTLL-LLVKDONJSA-N 313.405 2.861 0 40 DFAB CC(C)[C@H](NC(=O)CCn1cncn1)c1ccc(Cl)cc1F 97081857 KCFRDISBTFOJOW-HNNXBMFYSA-N 324.787 2.974 0 40 DFAB O=C(N[C@H](C(=O)c1ccccc1)N1CCCC1)c1ccccc1 26967056 MLZBEGMCBWODPL-SFHVURJKSA-N 308.381 2.721 0 40 DFAB CN1CCCN(C(=O)NC(C)(C)C)c2nc3ccccc3nc21 6906132 TUDYYLPDYSKUFM-UHFFFAOYSA-N 313.405 2.784 0 40 DFAB COc1ccc(-c2cnc(CN3CCn4ccnc4C3)o2)cc1 97201248 PIBWOEHCMYAGMF-UHFFFAOYSA-N 310.357 2.563 0 40 DFAB CCc1nc(COC(=O)CNC(=O)c2ccc(C)s2)cs1 23192180 GASXREHEXBMSOL-UHFFFAOYSA-N 324.427 2.549 0 40 DFAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCc2ccccc21 15521774 RPIQTOCMTAGHIC-GOSISDBHSA-N 309.413 2.751 0 40 DFAB CCc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 7389663 YMFRQXOFPHZMDM-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB Cn1ccnc1[C@H](OC(=O)CC[C@@H]1CCCO1)C(F)(F)F 72276914 MNKWSVZJIIPYKJ-ONGXEEELSA-N 306.284 2.526 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1 7757006 NXFWWLJVUBGXAP-CYBMUJFWSA-N 305.280 2.535 0 40 DFAB c1ccc2oc(-c3nnc(SCCn4cncn4)o3)cc2c1 96452660 UPYZAMVGOPKKMX-UHFFFAOYSA-N 313.342 2.867 0 40 DFAB COc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1OC 7953037 WVYINKJLUXBOKE-UHFFFAOYSA-N 304.371 2.720 0 40 DFAB CCCCN1CCC(Nc2ccccc2S(C)(=O)=O)CC1 96429276 AQKDVHDMQJSWPT-UHFFFAOYSA-N 310.463 2.767 0 40 DFAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc[nH]n2)cc1 81329083 SNCODODAHIIZBA-MRXNPFEDSA-N 313.401 2.582 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 8037575 WMTGOQBPPBVHDL-INIZCTEOSA-N 309.365 2.745 0 40 DFAB CN(C)Cc1ccc(CNC(=O)COc2cccc(F)c2)cc1 8062819 BFFOWSDCSDPOGV-UHFFFAOYSA-N 316.376 2.583 0 40 DFAB O=C(c1coc(Br)c1)N1CCC[C@H](n2cccn2)C1 69418358 VHVUIQUZAILTBF-NSHDSACASA-N 324.178 2.716 0 40 DFAB O=C(NCc1ccncc1)Nc1cnn(Cc2ccccc2)c1 69736995 HRPGAIVMCCXTIJ-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB Cc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc(C)c2c1 18175498 IWYLREGKIJWJDI-UHFFFAOYSA-N 307.357 2.562 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)c1 69946593 TUHHWVGKUKYFPL-INIZCTEOSA-N 322.412 2.907 0 40 DFAB COC(=O)CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 97378100 WNHPDWBJDYAGIO-ZDUSSCGKSA-N 309.793 2.999 0 40 DFAB CC(C)Oc1cccc(/C=C/C(=O)N(C)CCCC(=O)O)c1 95424173 DVYOUGNCYDXEIX-MDZDMXLPSA-N 305.374 2.810 0 40 DFAB COc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 95466984 USBQUMFNFIOJEG-CABCVRRESA-N 306.406 2.956 0 40 DFAB CCO[C@@H]1C[C@@H](OC(=O)CCCC(=O)NC(C)C)C12CCC2 84800814 LDUUSWKBRZISOH-ZIAGYGMSSA-N 311.422 2.572 0 40 DFAB Cc1ocnc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 95978439 GPQNCIWOFVDLOX-JTQLQIEISA-N 323.755 2.784 0 40 DFAB COC(=O)[C@H]1CCN(C(=O)Cc2cccs2)c2ccccc21 89227522 WIZKZLCSTBJHIT-AWEZNQCLSA-N 315.394 2.984 0 40 DFAB Cc1nc(C2CCN(c3cncc(OCC(C)C)n3)CC2)no1 86182218 BYDDGIWFHVOVFC-UHFFFAOYSA-N 317.393 2.587 0 40 DFAB CN(c1cccnc1N1CCCC1)S(=O)(=O)c1cccs1 75094019 ROOFUEVKLUKJAK-UHFFFAOYSA-N 323.443 2.568 0 40 DFAB C[C@@H](SCc1ccccc1)C(=O)NCc1nncn1C1CC1 75134022 WBLSTZRNNOTYGQ-GFCCVEGCSA-N 316.430 2.551 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(COC)cc1 89948912 XFQMVHWMBWYCOD-ZWKOTPCHSA-N 304.434 2.570 0 40 DFAB CCC1=NN(C(=O)c2cccc(C)c2)[C@@](O)(c2ccncc2)C1 408751578 ZTQCKRVXHUSPHD-SFHVURJKSA-N 309.369 2.847 0 40 DFAB NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 38242802 ZLBICQIZTNCOCN-UHFFFAOYSA-N 302.249 2.854 0 40 DFAB CCCCc1cnc(NC(=O)Cc2cn3cccc(C)c3n2)nc1 556805112 GKMKLIKQZAHQKW-UHFFFAOYSA-N 323.400 2.957 0 40 DFAB C[C@H]1CCN(C(=O)CNCC(F)(F)F)[C@@H](c2ccco2)C1 75389776 YGOZAYWRIVMBRJ-WDEREUQCSA-N 304.312 2.731 0 40 DFAB CSc1ccc(OCCN2CCC(n3cncn3)CC2)cc1 75678738 WXXNOPAHZBXALT-UHFFFAOYSA-N 318.446 2.716 0 40 DFAB CC[C@H](C)[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 71745154 YJMHSDYDXLXYNH-LRDDRELGSA-N 302.374 2.647 0 40 DFAB Cc1sc2nc(C3CC3)n(C3CCNCC3)c(=O)c2c1C 72335677 NGXBGGWFDUDBAU-UHFFFAOYSA-N 303.431 2.877 0 40 DFAB O=C1CCC(c2ccc(Cl)cc2)=NN1CN1CCSCC1 79495071 BWGICSSHJJBRTI-UHFFFAOYSA-N 323.849 2.673 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 42646796 UJRLGRUPBIXWCT-GFCCVEGCSA-N 320.389 2.686 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)no1 44874234 DBUAKTXCTXCCLU-VHSXEESVSA-N 309.316 2.939 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCC 225038485 GCGIOYNFMXKEKA-CQSZACIVSA-N 320.433 2.739 0 40 DFAB CCOC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 47465171 KQWBGPVUFKBIFA-UHFFFAOYSA-N 321.442 2.971 0 40 DFAB Cc1nc(Cn2nc(C3CC3)n(-c3ccccc3)c2=O)cs1 75165377 CHIFQBMINXPYEW-UHFFFAOYSA-N 312.398 2.725 0 40 DFAB COc1ccc(CC(=O)NCCOc2ccc(F)cc2)cc1C 225190365 WGXSJOODEFCNDP-UHFFFAOYSA-N 317.360 2.880 0 40 DFAB CCc1oc2ccccc2c1CC(=O)N[C@@H]1C[C@H]1c1cncn1C 529467711 KZDRQDZYTLKHGM-HUUCEWRRSA-N 323.396 2.944 0 40 DFAB O=C(O)C[C@@H](CC(=O)Nc1cccnc1)c1ccc(F)cc1 226748939 VHQHICCDKRVSQB-GFCCVEGCSA-N 302.305 2.808 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(C)c1 226387907 CBUGEEDRWFOKJU-FLMUCADWSA-N 322.408 2.726 0 40 DFAB C[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 9450255 BBGLOEJCSINJCV-LLVKDONJSA-N 322.792 2.897 0 40 DFAB Cc1nn(C)c(C)c1-c1nnc2sc(-c3ccsc3)nn12 95480836 IDKKSHGHBKNRQU-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB COC[C@@H]1COCCC12CCN(Cc1ccc(OC)cc1)CC2 96106260 PHQGLEJWSDOJAV-QGZVFWFLSA-N 319.445 2.960 0 40 DFAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccccc1F)C2 96229794 QWRWLAGWROVBII-SFHVURJKSA-N 318.392 2.833 0 40 DFAB O=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccncc1 96460989 LVNNTAIJVZXPMP-UHFFFAOYSA-N 320.352 2.808 0 40 DFAB COC(=O)CN(C(=O)c1ncoc1C(C)C)c1cccc(F)c1 96451955 PMELUVNZAXTLBT-UHFFFAOYSA-N 320.320 2.757 0 40 DFAB Cc1cccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C(C)C)C2)n1 96185260 AGQIIPAFGUAVFK-QRQLOZEOSA-N 317.477 2.567 0 40 DFAB CCOC(=O)N(CCN(C)C)c1ccc(C(F)(F)F)cn1 91695641 UBKFQGUMLPWMPA-UHFFFAOYSA-N 305.300 2.625 0 40 DFAB O=C(NC1CCCC1)c1cc2c(s1)CCN2C(=O)C1CC1 96264587 BJEVZQAAEJHUJU-UHFFFAOYSA-N 304.415 2.720 0 40 DFAB NC(=O)C1(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCCCC1 97336809 RICDIKMKAFLJDR-UHFFFAOYSA-N 318.461 2.897 0 40 DFAB CCCc1nnc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 97374815 RMUOSLQWYNFQFU-LLVKDONJSA-N 320.422 2.973 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCC(Cc2ccncc2)CC1 257245851 IRHVETMQXOMTAE-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB Cc1cc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)no1 257309862 UCRZQNDRMCVKLU-FOLVSLTJSA-N 312.369 2.913 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2nccnc2-c2ncc[nH]2)nc1 257245376 IPFGLJQNPLXALM-CQSZACIVSA-N 306.373 2.599 0 40 DFAB O=C(c1cnc2ccccc2c1)N1CCO[C@H](c2ccncc2)C1 257234397 GTILIPVCKGCDRQ-SFHVURJKSA-N 319.364 2.844 0 40 DFAB COc1ccc(C(C)(C)C(=O)NC2CCC(C(=O)O)CC2)cc1 262681728 WLVWZQYVUJGZDA-UHFFFAOYSA-N 319.401 2.732 0 40 DFAB CO[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1C 96105059 QYDYLBCNRPNERH-ZDUSSCGKSA-N 311.428 2.723 0 40 DFAB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1occc1C 69519482 ZIIBJKAHOHTEME-CYBMUJFWSA-N 323.295 2.853 0 40 DFAB O=S(=O)(NC[C@H](O)C1CCCCC1)c1ccccc1Cl 70636725 YZSIIDHLFNGEHM-ZDUSSCGKSA-N 317.838 2.560 0 40 DFAB CC(C)CN(CC(=O)N(C)c1nccs1)CC(F)(F)F 71900553 RJPUJFKSFILMLI-UHFFFAOYSA-N 309.357 2.626 0 40 DFAB Cc1cc(Br)cc(C(=O)NC[C@@H](C)C[C@H](C)O)c1 134512668 IDMWORILUOLJML-QWRGUYRKSA-N 314.223 2.894 0 40 DFAB C[C@H](NCc1ccc(CO)o1)c1cccc(N2CCCC2=O)c1 84656080 NJUAHJUWETZBJU-ZDUSSCGKSA-N 314.385 2.750 0 40 DFAB COc1cccc([C@@H](C)CC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)c1 84605395 ZDPILMDIPXCZSN-NQXVPUPISA-N 317.429 2.808 0 40 DFAB CCOc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)ccn1 78902464 RJGIDDYDFWGPGI-AWEZNQCLSA-N 314.389 2.532 0 40 DFAB Cc1ccc(NC(=O)N(C)CCOCC2CC2)c2[nH]ncc12 88388904 LKQKRHBSUAIZOL-UHFFFAOYSA-N 302.378 2.762 0 40 DFAB CC(C)n1cc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cn1 95413321 UZHCALMLKVBYPS-AAEUAGOBSA-N 306.366 2.691 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCC[C@@H]1CCCCO1)CO2 96002194 OSUNOWWYZRTRFF-DZGCQCFKSA-N 304.390 2.687 0 40 DFAB CN(CCCc1ccccc1)C(=O)c1[nH]ncc1Br 71897874 PREXISMJZIPHFM-UHFFFAOYSA-N 322.206 2.877 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 5625740 UHULWDURCACYGK-GXTWGEPZSA-N 313.401 2.551 0 40 DFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(F)cc1 5754153 SLAPDFQUUMBQTC-UHFFFAOYSA-N 314.268 2.995 0 40 DFAB CCCc1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3 13998066 BQFCCFUEFFUSMQ-UHFFFAOYSA-N 316.474 2.932 0 40 DFAB CC(C)Cn1c(=O)c(CCC(=O)O)nc2cc(Cl)ccc21 17043832 HIBDVEVOERQVKH-UHFFFAOYSA-N 308.765 2.723 0 40 DFAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 19589200 NXAFZUWMTIHSMT-BRWVUGGUSA-N 302.393 2.624 0 40 DFAB COc1ccc(C(=O)N2CCc3sccc3C2)c(OC)c1 12215699 SFBHYCSVWGXMMT-UHFFFAOYSA-N 303.383 2.964 0 40 DFAB CC(C)/C=C1\NC(=O)[C@@H](C(C)C)n2c1nc1ccccc1c2=O 31163284 RBFIISQAYNLQQY-KQGZCTBQSA-N 311.385 2.720 0 40 DFAB biogenic,in-vitro C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cccnc1 244986273 JNPGSHMBORVAIK-GFCCVEGCSA-N 316.382 2.737 0 40 DFAB CC(C)CC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 4941968 RUIGPBDTKPMWEX-UHFFFAOYSA-N 310.419 2.601 0 40 DFAB COc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 61425 FJGBOWWLHMRDIC-UHFFFAOYSA-N 304.371 2.725 0 40 DFAB CC(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1 40040326 ZWZKMJJVUQAMDK-UHFFFAOYSA-N 320.352 2.781 0 40 DFAB Cc1cccc(CNCc2ccccc2S(=O)(=O)N(C)C)c1 30657917 NJVWUXUUAVVCJM-UHFFFAOYSA-N 318.442 2.535 0 40 DFAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccccc1 20151446 QVYRNPZGBYTSQB-UHFFFAOYSA-N 314.366 2.820 0 40 DFAB Cc1cccc(NC(=O)NC[C@H](O)COc2ccccc2)c1 31088460 WKVWBEJTBBPRTE-HNNXBMFYSA-N 300.358 2.556 0 40 DFAB Cc1ccc(C(=O)NCN2CCN(c3ccccc3)CC2)cc1 20494245 KELYGLDHXDQQJD-UHFFFAOYSA-N 309.413 2.505 0 40 DFAB C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 40553260 TVHDVVGMPYOVNP-GUYCJALGSA-N 314.429 2.875 0 40 DFAB COc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1 32657888 HAQBAZPRISATSR-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB Cc1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 341292 LNXFJHCVIOCQJB-UHFFFAOYSA-N 324.214 2.954 0 40 DFAB COc1cc(CNC(C)(C)C)ccc1OCC(=O)NC(C)(C)C 359906 CHTUSBDRUNKNTI-UHFFFAOYSA-N 322.449 2.877 0 40 DFAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1 102179317 FRWKUMBGUCKZFC-JYJNAYRXSA-N 301.386 2.672 0 40 DFAB c1cc2c(cc1-c1csc(N3CCOCC3)n1)OCCCO2 52589699 ULRRWWUGTMAJSC-UHFFFAOYSA-N 318.398 2.808 0 40 DFAB COc1ccc2[nH]c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3c2c1 520342 MLRGEVJLYZMGCW-GHMZBOCLSA-N 312.373 2.733 0 40 DFAB Nc1nc(NC(=O)c2ccccc2Cl)nn1-c1ccccc1 521240 GFOXXRIIYBZABT-UHFFFAOYSA-N 313.748 2.755 0 40 DFAB Cc1ccc(O)c([C@H](CC(=O)N2CCNCC2)c2ccccc2)c1 538721 AYBKVQZDARUALK-QGZVFWFLSA-N 324.424 2.654 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 86598 TYCDYCQSQOSUPG-UHFFFAOYSA-N 324.336 2.563 0 40 DFAB Cc1cccc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)c1 8772452 IGIZJRHXBXKKNT-MLGOLLRUSA-N 300.358 2.944 0 40 DFAB C[C@H](CCc1cccn1C)Nc1ccccc1S(C)(=O)=O 78423586 DRHMDLIQJZVURG-CYBMUJFWSA-N 306.431 2.862 0 40 DFAB Brc1ccccc1-c1cnc(Cn2cncn2)o1 78904271 KVMJKWJVKRRCQW-UHFFFAOYSA-N 305.135 2.744 0 40 DFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1Cl 3537656 NMXATPSNLMXKPV-UHFFFAOYSA-N 320.757 2.766 0 40 DFAB COC(=O)c1ccc2c(I)c[nH]c2c1 4200700 WUFYFIRKVXAESN-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB Cc1c2ccccc2nc(CSc2nnc(S)s2)[n+]1[O-] 4744253 LWINHWZOZDHRPY-UHFFFAOYSA-N 322.440 2.609 0 40 DFAB CCSc1n[nH]c([C@@H]2CCC(=O)N2Cc2ccccc2)n1 6001470 VLCKYVWDCCXNBI-LBPRGKRZSA-N 302.403 2.780 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccn1 7059116 CYWVPXMPRYDJOA-GFCCVEGCSA-N 302.399 2.610 0 40 DFAB COc1ccccc1N1CCN(C[C@@H](O)c2ccccc2)CC1 23386534 NFWAYLDZFWPDIF-GOSISDBHSA-N 312.413 2.551 0 40 DFAB O=C(Nc1ccc(Cl)cc1F)c1cnc2sccn2c1=O 10409496 FDEWWGCELBHJPQ-UHFFFAOYSA-N 323.736 2.801 0 40 DFAB C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)NC1CCCCC1 8255002 PXGCWSYDWWRDDH-GFCCVEGCSA-N 307.365 2.749 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)C 8388692 IEXFAPIATLOCEH-KRWDZBQOSA-N 317.433 2.776 0 40 DFAB O=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1ccncc1 48010234 HWGPAYMBLZZHPV-KRWDZBQOSA-N 316.426 2.791 0 40 DFAB CCOC(=O)N1CCN(C(=S)Nc2cc(C)ccc2C)CC1 1406129 IZQDCCXPXDLNKZ-UHFFFAOYSA-N 321.446 2.774 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1N 3272908 BKFXJTHYMOECED-UHFFFAOYSA-N 316.401 2.741 0 40 DFAB CCCC(=O)Nc1cc(N2CCN(CC)CC2)c(N)cc1Cl 57326739 BANPQMQDMUEDJB-UHFFFAOYSA-N 324.856 2.803 0 40 DFAB COc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccc1C 56025726 GNXABILBFZMIES-UHFFFAOYSA-N 301.390 2.788 0 40 DFAB CCc1nnsc1C(=O)NCCCN(CC)c1ccccc1 22696171 IEMPYZBJGDEJQX-UHFFFAOYSA-N 318.446 2.747 0 40 DFAB Cc1nc(NC[C@@H](O)C(F)(F)F)c2c3c(sc2n1)CCC3 44406955 NAXQLWUOOGEREF-SECBINFHSA-N 317.336 2.824 0 40 DFAB CC[C@@H](C)NC(=O)c1occc1CS(=O)(=O)c1ccccc1 27338897 PYGFNQPURXVVHR-GFCCVEGCSA-N 321.398 2.782 0 40 DFAB COc1cc(C(=O)Nc2cc(C3CC3)n[nH]2)cc(OC)c1C 58291907 ZKESZKAAGFKYII-UHFFFAOYSA-N 301.346 2.865 0 40 DFAB NC(=O)[C@@H]1CCCCN1Cc1csc(Cc2ccccc2)n1 44936881 XBWVTMYNEDSXOA-HNNXBMFYSA-N 315.442 2.574 0 40 DFAB Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2C)c(=O)[nH]1 12748738 AGQLAWRNPJLZQV-LBPRGKRZSA-N 313.401 2.505 0 40 DFAB C[C@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)OCO3 2158555 RQGWUHDQRLWIKN-NSHDSACASA-N 301.342 2.896 0 40 DFAB biogenic CCc1noc(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)n1 36396155 IHYFFPLKWCSWAY-CYBMUJFWSA-N 317.389 2.986 0 40 DFAB CCN(C(=O)c1cc(OC)c2c(c1)OCCO2)C1CCCC1 58712239 AOVYCINLPRGVLL-UHFFFAOYSA-N 305.374 2.871 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)on1 28431030 BSOSZNKPQNAZRI-UHFFFAOYSA-N 314.341 2.595 0 40 DFAB Cc1noc([C@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)n1 45914021 GWJMPYVJTHYZPM-LRDDRELGSA-N 301.390 2.885 0 40 DFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 3429077 IGOOWYOJYZUZCP-SNVBAGLBSA-N 304.346 2.625 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)cc3F)nc2n1 3566224 RSBHDCCKUMFCKN-UHFFFAOYSA-N 319.727 2.786 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1O 3510705 MHNWHFYIKQUJJM-NSHDSACASA-N 315.325 2.585 0 40 DFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCCCC1 8704460 AMZPOCUFIRIWPT-CQSZACIVSA-N 318.417 2.998 0 40 DFAB COc1cc(/C=C/C(=O)N2CCC[C@H](C)C2)cc(OC)c1OC 12983224 CUCRAAPIJQFELU-GWJCSSMESA-N 319.401 2.984 0 40 DFAB C[C@H](CNCc1c[nH]nc1-c1cccs1)CN1CCCC1 48749242 CGBFWLBLRJDKIZ-CYBMUJFWSA-N 304.463 2.960 0 40 DFAB COC(=O)c1c(NC(=O)c2noc(C)c2C)sc2c1CCC2 13641108 VHFYFYOFDOVRTO-UHFFFAOYSA-N 320.370 2.881 0 40 DFAB CC1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 20485037 AZOIKUSZKCWXPG-UHFFFAOYSA-N 300.402 2.681 0 40 DFAB O=C(CSc1nncn1-c1ccccc1F)NC1CCCC1 6129424 YZKKSTWEHQLKHE-UHFFFAOYSA-N 320.393 2.557 0 40 DFAB CCO[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccccc1 65611355 KXRPQLQQMOSNMM-SJORKVTESA-N 313.401 2.824 0 40 DFAB O=S1(=O)CCN(Cc2cccc(-c3ccccc3)c2)CC1 93048016 VSWLCQUIIJRYNC-UHFFFAOYSA-N 301.411 2.584 0 40 DFAB CC(C)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5426487 XNPPYPLDVBPEPS-INIZCTEOSA-N 302.374 2.716 0 40 DFAB in-vitro CCn1nnc2cc(C(=O)Oc3ccc(NC(C)=O)cc3)ccc21 14627970 FCFZOZPPZIRPFA-UHFFFAOYSA-N 324.340 2.629 0 40 DFAB O=c1cc(CN2CCSc3ccccc32)nc2sccn12 5689422 JPILONKAUAWVOB-UHFFFAOYSA-N 315.423 2.868 0 40 DFAB Nc1c(-c2ccccc2)nsc1C(=O)NCc1ccccn1 67334716 JQRNFEQGZGZGQJ-UHFFFAOYSA-N 310.382 2.717 0 40 DFAB COCCn1cnnc1S[C@H]1CCCc2ccccc2C1=O 67428179 BNNIOIHEMWQVIW-AWEZNQCLSA-N 317.414 2.604 0 40 DFAB O=C(Nc1nnc2ccccn12)N1CC[C@H](Cc2ccccc2)C1 96434698 BGVKOUVGCJKDST-OAHLLOKOSA-N 321.384 2.826 0 40 DFAB Fc1ccc(-c2nnc3n2C[C@@H](NCc2cccnc2)CC3)cc1 96002609 AIMXEEAWNVFDQD-INIZCTEOSA-N 323.375 2.584 0 40 DFAB CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OCO3)cc1 7658428 RIYNVMRWDXWRRR-UHFFFAOYSA-N 316.309 2.798 0 40 DFAB C[C@H](OC(=O)c1ccoc1)C(=O)Nc1ccc(N(C)C)cc1 16157798 ROFDAWVSEBQRME-NSHDSACASA-N 302.330 2.530 0 40 DFAB O=C(CC1CCCC1)NCCNC(=O)c1ccc2cc[nH]c2c1 69456561 NMXAGKUBRHSZNT-UHFFFAOYSA-N 313.401 2.594 0 40 DFAB CSc1ccccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 69531287 XGWVXEOYAQUQKH-SNVBAGLBSA-N 309.435 2.833 0 40 DFAB CCc1ncc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2CC)s1 69665073 UTIOZQJQHOZKGD-CHWSQXEVSA-N 307.463 2.794 0 40 DFAB C[C@@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1 69615883 IMIUFQJIYHQLRI-INIZCTEOSA-N 315.398 2.795 0 40 DFAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cnccn1 17527897 OZFLXBSYJCGFSI-UHFFFAOYSA-N 320.732 2.648 0 40 DFAB COc1ccc(OC[C@H](O)CN2CCCc3ccccc32)cc1 8696964 PVGVPAVXBFIPIA-MRXNPFEDSA-N 313.397 2.888 0 40 DFAB C[C@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)(C)C 69812106 FPZGHKFFQJZRHP-VIFPVBQESA-N 305.447 2.998 0 40 DFAB Cc1nc(S[C@@H]2CCN(C)C2=O)c2c(C)c(C)sc2n1 69968034 RDKSCRUGNMFSKM-SNVBAGLBSA-N 307.444 2.939 0 40 DFAB Cc1nc(CN2CCN(Cc3nc(C)c(C)o3)[C@H](C)C2)oc1C 71824716 DYSNZTGLZUPWSC-LLVKDONJSA-N 318.421 2.603 0 40 DFAB COc1ccc(CN2CCCN(C(=O)c3ccoc3)CC2)cc1 71892815 PFWAMSBLYHTTJX-UHFFFAOYSA-N 314.385 2.636 0 40 DFAB Cc1cc(N[C@H](CO)c2ccccc2)nc(-c2ccncc2)n1 71899448 AHNHWSSELAKSGR-MRXNPFEDSA-N 306.369 2.993 0 40 DFAB Cc1nc(C)c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 84090872 BCNAIMLASQAXKQ-JSGCOSHPSA-N 316.492 2.548 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 84692211 MOEYANLDVZFUAV-HIFRSBDPSA-N 318.442 2.603 0 40 DFAB CCO[C@H]1CCCN(Cc2cc(C)nc(N3CCCCC3)n2)C1 97084197 GDNWOGCUFXOKTE-KRWDZBQOSA-N 318.465 2.776 0 40 DFAB C[C@@H](NC(=O)C(=O)Nc1cccnc1)c1ccc(F)cc1Cl 72291075 BHRVJBOQYCGDBM-SECBINFHSA-N 321.739 2.690 0 40 DFAB CCCCOC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1 97124113 CWQXDCVZCHVQNM-FEAKQIBJSA-N 319.426 2.945 0 40 DFAB CCc1cc(C(N)=O)c(NC(=O)c2ccc(F)cc2F)s1 27928606 LUKOAWFBRQTRIB-UHFFFAOYSA-N 310.325 2.940 0 40 DFAB CCc1ccc([C@H](C)NCc2cccnc2N2CCOCC2)o1 95420110 VPADJIGSPWMNMO-AWEZNQCLSA-N 315.417 2.924 0 40 DFAB Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC3)C2)c1Cl 95941833 MJGJXGBBWFEVOV-ZDUSSCGKSA-N 307.825 2.786 0 40 DFAB Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CCC(C(=O)O)CC1 95989493 BWPUYKXKAMMVIC-IFWUJCSASA-N 307.415 2.920 0 40 DFAB CCS(=O)(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 89274413 JFBJOHROQKULRF-SNVBAGLBSA-N 301.383 2.615 0 40 DFAB O=C(NC[C@H]1CCOCO1)Nc1cc(Cl)ccc1Cl 89768421 NNJCBXSACDCZLH-SECBINFHSA-N 305.161 2.878 0 40 DFAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC)cc1 408674801 CSGKDANHOCNEOQ-UHFFFAOYSA-N 322.364 2.934 0 40 DFAB O=C(NCc1cccc(F)c1)C(=O)Nc1cccc2[nH]ccc12 32104968 YLKHRJRVIISBDE-UHFFFAOYSA-N 311.316 2.562 0 40 DFAB COCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 409241778 YOHAEAJMDGYWPK-JLHYYAGUSA-N 307.371 2.768 0 40 DFAB O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccccc1 4712428 QWNIQQOGKRVYSF-UHFFFAOYSA-N 301.327 2.537 0 40 DFAB biogenic CCn1nc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C 35670852 RNZHMWYNMTXLRG-UHFFFAOYSA-N 315.345 2.599 0 40 DFAB Cc1nc(Cl)cc(N2CCC(CN3CCCCC3=O)CC2)n1 78515269 XHEZMMIFWVYXKB-UHFFFAOYSA-N 322.840 2.667 0 40 DFAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1 36700004 QSOVSHPMTITGAB-LJQANCHMSA-N 324.424 2.880 0 40 DFAB CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1F)c1ccccn1 77859083 YWJHMNWGZSQDFH-HNNXBMFYSA-N 315.348 2.673 0 40 DFAB CCc1nc(C)c(CN(CC(=O)O)Cc2ccc(F)c(F)c2)o1 563541547 LJWYLGARQCXXPR-UHFFFAOYSA-N 324.327 2.910 0 40 DFAB Oc1c(Br)nnc2ccc(Br)cc12 78219524 SFAIGTYUAKKRGB-UHFFFAOYSA-N 303.941 2.860 0 40 DFAB CC[C@@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(Cl)cc1 79052357 YUUISNOMMWOBMC-GFCCVEGCSA-N 317.780 2.873 0 40 DFAB CC(C)(C)SCCOC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 79037420 JKKKYIOFEIUISP-YGRLFVJLSA-N 317.476 2.515 0 40 DFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCOC2(CCCC2)C1 225457932 AANHQBWXTDUERF-CQSZACIVSA-N 323.458 2.796 0 40 DFAB CC(C)N1CCC(N[C@@H](CO)c2ccc(Cl)c(F)c2)CC1 195557916 VBSLKHIVQGQIKL-INIZCTEOSA-N 314.832 2.975 0 40 DFAB CN(CCSc1nccn(C2CC2)c1=O)Cc1ccccc1 193746201 MAHQMHNVSQYXDL-UHFFFAOYSA-N 315.442 2.802 0 40 DFAB Cc1cc(C(=O)O)c(=O)n(Cc2c(Cl)cccc2Cl)n1 225961496 RPWYFFKECGHUJP-UHFFFAOYSA-N 313.140 2.605 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)Cc3noc4ccccc34)ccc21 49506729 KPOBXOSMJSTXBV-UHFFFAOYSA-N 321.336 2.528 0 40 DFAB COC(=O)C1CCN(Cc2ccccc2Br)CC1 42205996 AMVAHZBUDVLMBL-UHFFFAOYSA-N 312.207 2.834 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 44110435 YOMFPQXGKOPCJH-DOMZBBRYSA-N 319.405 2.972 0 40 DFAB CCNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 225139624 QVEMCDKFOUWHIS-PTNGSMBKSA-N 314.410 2.964 0 40 DFAB Cc1cc(-c2cccc(C(=O)O)c2)ccc1NS(C)(=O)=O 576758296 LDPVNOGQKDEGDO-UHFFFAOYSA-N 305.355 2.732 0 40 DFAB C[C@@]1(C(=O)N2CCC[C@H](CCC(=O)O)C2)CC1(Cl)Cl 195552092 ZYCDIUQHIIYFLO-SKDRFNHKSA-N 308.205 2.674 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCC[C@@H](C)C3)C2)cc1 96192819 LFWIMOPRVBCHFB-ACJLOTCBSA-N 316.401 2.837 0 40 DFAB CC(C)COC[C@@H]1CN(Cc2ccco2)Cc2ncn(C)c21 96060226 JTEXCYYMJXSOPS-AWEZNQCLSA-N 303.406 2.785 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 96053858 KJYZSHXHWVKISW-GASCZTMLSA-N 317.433 2.846 0 40 DFAB CN(Cc1nc2ccccc2n1C)S(=O)(=O)CCC(C)(C)C 96428275 UISVNHIQGJHYBW-UHFFFAOYSA-N 323.462 2.771 0 40 DFAB Cc1ncc(C(=O)OCc2ccc(-n3cccn3)cc2)c(C)n1 95464225 KUXYENVRQWHZCU-UHFFFAOYSA-N 308.341 2.636 0 40 DFAB CN(C)[C@@H]1CC[C@H](NC(=O)Nc2cccc(OCCF)c2)C1 92076695 RBYAENUPUVOJAH-UONOGXRCSA-N 309.385 2.639 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3cccs3)n2)cc1OC 95533870 QPZJVQAXMXDGRF-ZDUSSCGKSA-N 316.386 2.599 0 40 DFAB COc1ccc(NC(=O)Nc2ccccc2-c2nnn[nH]2)cc1 97105535 XOCHCWWWESXELT-UHFFFAOYSA-N 310.317 2.519 0 40 DFAB O=C(N[C@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccsc1 96205911 FKIFYILCQPQNLT-WMLDXEAASA-N 320.458 2.654 0 40 DFAB Cc1cccc(NC(=O)c2ncn(C[C@@H](O)c3ccccc3)n2)c1 583649707 VXIUHODNEYHPDS-MRXNPFEDSA-N 322.368 2.572 0 40 DFAB COCC(=O)Nc1ccc(OCc2sc(C)nc2C)cc1 96428917 KBOPWJYSLCVDQD-UHFFFAOYSA-N 306.387 2.924 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@@H]12 248114197 IDOZTHVDEJBFEB-IEBWSBKVSA-N 310.397 2.768 0 40 DFAB COCCN1C(=O)CCC[C@H]2CN(Cc3ccsc3)CC[C@H]21 257307591 SZJKMZXNXLGCFR-JKSUJKDBSA-N 322.474 2.598 0 40 DFAB O=C(CSc1nncs1)N1CCCc2cccc(F)c21 25959068 JWAZWMOJKGRKQX-UHFFFAOYSA-N 309.391 2.749 0 40 DFAB CC[C@H]1CCCCN1c1nn(-c2ccccc2F)nc1C(=O)O 256049281 ZEPBHUXSALKKJJ-NSHDSACASA-N 318.352 2.874 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 257285538 PHQPWNRXQJGGDO-LBPRGKRZSA-N 309.373 2.614 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)ccn1 257311063 UHUICADLAHTYLQ-INIZCTEOSA-N 321.384 2.977 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)[nH]n1 257246667 IVESCDUHGYHDFQ-PTOXDTDZSA-N 316.449 2.668 0 40 DFAB CC(=O)Nc1nc([C@@H]2CCCCN2c2ncccn2)cs1 257222873 DUYKXLUCIDRFCE-LBPRGKRZSA-N 303.391 2.623 0 40 DFAB O=C(CC1CCCC1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585279197 WZOZUELIGDONBW-GOSISDBHSA-N 321.392 2.748 0 40 DFAB CCCNC(=O)[C@H](C)[S@](=O)Cc1c(F)cccc1Cl 69817300 SKFZNIXGUCKVJM-UGZDLDLSSA-N 305.802 2.643 0 40 DFAB Cc1nc(N2CCCC2)n(Cc2cc(F)ccc2F)c(=O)c1C 65307473 SWXMOHACONTQPB-UHFFFAOYSA-N 319.355 2.787 0 40 DFAB COc1ccc(CN(C(=O)c2ccc3[nH]nnc3c2)C2CC2)cc1 44869835 PETLSXIADPZKNM-UHFFFAOYSA-N 322.368 2.771 0 40 DFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](n2cncn2)C1 75583667 GIGQQKTVUZRBJV-GOSISDBHSA-N 324.428 2.563 0 40 DFAB Cc1ccc(F)cc1NC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 95458163 AMGDUSYXEBHZKU-XJKSGUPXSA-N 308.353 2.594 0 40 DFAB COCCN(Cc1ccco1)C(=O)Nc1cc(C)cc(C)n1 97378619 CXOYDKBFOSPBJW-UHFFFAOYSA-N 303.362 2.972 0 40 DFAB O=S1(=O)CCCN1Cc1cc(Br)ccc1Cl 96405812 ZYMAUAKKSQPYTA-UHFFFAOYSA-N 324.627 2.638 0 40 DFAB O=C(O)c1ccccc1N1C(=O)c2ccc(Cl)cc2C1=O 5002544 XFNVELNKIVVAID-UHFFFAOYSA-N 301.685 2.839 0 40 DFAB CCc1ccccc1NC(=O)NCc1nc(-c2cccnc2)n[nH]1 13565295 ROVXKOZUATVPJL-UHFFFAOYSA-N 322.372 2.751 0 40 DFAB COc1ccccc1/C=C/C(=O)NCCC1CCN(C)CC1 156361676 NHOTXQNVFLJGRC-BQYQJAHWSA-N 302.418 2.557 0 40 DFAB O=C(COc1ncnc2sccc12)NCc1ccc(F)cc1 3496954 HPAAYZSGIGDHKB-UHFFFAOYSA-N 317.345 2.526 0 40 DFAB Cc1cccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889089365 JBNQUNNHLNAYQB-UHFFFAOYSA-N 317.824 2.939 0 40 DFAB c1ccc(OC[C@@H]2CCN(c3ncnc4sccc34)C2)nc1 1889148778 JILDKNBUWKIHRS-GFCCVEGCSA-N 312.398 2.992 0 40 DFAB COc1ccc2nc(NC(=O)c3cc(C)nn3C)sc2c1 9122350 UXPSSWOBHSLTOK-UHFFFAOYSA-N 302.359 2.599 0 40 DFAB CC(C)c1nccn1CC1CN(C(=O)Cc2ccc(F)cc2)C1 1849646935 MNRNSBJQSCRQMI-UHFFFAOYSA-N 315.392 2.847 0 40 DFAB Cc1cc2ncc(NC(=O)CSc3ccc(F)cc3)cn2n1 206737494 ANJKEKPONOWPAY-UHFFFAOYSA-N 316.361 2.908 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)cc1 100671423 BHUWYHGAMQJNGC-HAEOWDPNSA-N 309.365 2.643 0 40 DFAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1OC 30363616 JXUMFLNBLUYEEO-ZDUSSCGKSA-N 324.402 2.730 0 40 DFAB COc1ccc2o/c(=N/Cc3ccccc3)c(C(N)=O)cc2c1 100367374 JNPBMMCDVNPKCR-CZIZESTLSA-N 308.337 2.641 0 40 DFAB Cc1[nH]c2nc(NCc3ccc(C(C)C)cc3)nn2c(=O)c1C 100641606 SICYUSWYSPHPJO-UHFFFAOYSA-N 311.389 2.770 0 40 DFAB CCCC[C@@H](CC)CNC(=O)c1ccc(-n2cnnn2)cc1 20427037 XWOVZLUWNLOOHD-CYBMUJFWSA-N 301.394 2.609 0 40 DFAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 32668174 MAENVEGKYOHJOG-GOSISDBHSA-N 310.397 2.896 0 40 DFAB O=C(OCc1csc(-c2cccs2)n1)c1ccc[nH]c1=O 32671877 YJBXXKNRXZWNMN-UHFFFAOYSA-N 318.379 2.917 0 40 DFAB CN(C)[C@@H](CNC(=O)Cc1ccccc1F)c1ccccc1 21869800 NYQCXWQXCLMFPY-KRWDZBQOSA-N 300.377 2.787 0 40 DFAB COc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 534500 MSZQYAGEXFNRIB-UHFFFAOYSA-N 323.352 2.817 0 40 DFAB COc1ccc(CCNC(=O)c2cccnc2Cl)cc1OC 259005 KJTAWOGYJIBEML-UHFFFAOYSA-N 320.776 2.725 0 40 DFAB biogenic COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc1 416266 CEXBOUSROHYBEK-UHFFFAOYSA-N 321.402 2.752 0 40 DFAB CC(C)c1noc(CCCNC(=O)C2(c3ccccc3)CC2)n1 61457606 PRELVQKZNDLNGW-UHFFFAOYSA-N 313.401 2.974 0 40 DFAB O=CN1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 78549340 CPYCEJFPPWEQTH-GFCCVEGCSA-N 300.339 2.784 0 40 DFAB C[C@H]1C[C@H](NC(=O)CCOC2CCOCC2)c2ccccc21 84541111 KSGDBEURQTVNMI-GUYCJALGSA-N 303.402 2.937 0 40 DFAB COc1cc(Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 1583091 NDYPCLQAPPEYLS-UHFFFAOYSA-N 320.341 2.723 0 40 DFAB CC(C)C(=O)N1CCC(Nc2ncnc3cccc(F)c23)CC1 54057606 IFQYJHYMXCJZBR-UHFFFAOYSA-N 316.380 2.828 0 40 DFAB CC(C)c1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 4936965 YOBZDQPPLPBMKC-UHFFFAOYSA-N 314.370 2.527 0 40 DFAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(C)c2N)c1 7305627 KTPXEAGOKUPVAF-UHFFFAOYSA-N 312.369 2.990 0 40 DFAB c1ccc([C@H](CNc2ccnc(C3CC3)n2)N2CCOCC2)cc1 95394651 DKHJHBGFXMPINO-KRWDZBQOSA-N 324.428 2.839 0 40 DFAB CC(C)C[C@@]1(C(=O)CNc2ccc(Cl)cn2)CCC(=O)O1 57440225 QAOKRRUUHQAFKN-OAHLLOKOSA-N 310.781 2.838 0 40 DFAB C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1cccnc1 55088108 YKBVLYFQRQUYKH-LLVKDONJSA-N 321.327 2.627 0 40 DFAB O=C(Nc1cccc(F)c1)N1CCN(c2nccs2)CC1 43155554 YOEDSBJDWCRERY-UHFFFAOYSA-N 306.366 2.636 0 40 DFAB COc1c(F)cc(NC(=O)CC(C)(C)CC(=O)O)cc1F 55151397 XEFHXOJGYQRJSQ-UHFFFAOYSA-N 301.289 2.803 0 40 DFAB CN(C[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O 106910892 DASNGMQSNRKCSO-WFASDCNBSA-N 308.809 2.556 0 40 DFAB CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CCOc2ccccc21 25449152 DPITVKPSJWEOTK-AWEZNQCLSA-N 318.417 2.569 0 40 DFAB COc1ccccc1N1CCN(Cn2cnc3ccccc32)CC1 25480672 NICJYABZPVIRNW-UHFFFAOYSA-N 322.412 2.825 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H](C)c2nc(C(C)C)no2)[C@H](CC)C1 107323645 GGIWWTWMKLAHQZ-MCIONIFRSA-N 322.453 2.881 0 40 DFAB CN1CCN(C(=O)c2n[nH]c3ccccc23)[C@@H](c2ccccc2)C1 12602222 NYGLWAFULSXQGS-QGZVFWFLSA-N 320.396 2.692 0 40 DFAB NC(=O)Nc1ccc(CNc2nccc(C(F)(F)F)n2)cc1 58430673 JVJIPRXSOIEFRH-UHFFFAOYSA-N 311.267 2.598 0 40 DFAB CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 27938327 KPHUEODXDVTNSC-UHFFFAOYSA-N 318.808 2.519 0 40 DFAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1nccn2ccnc12 104192350 VNULNQAIGJFCEF-SOUVJXGZSA-N 310.401 2.792 0 40 DFAB COc1ccccc1C[C@H]1CCCN1c1cc(C)nc2ncnn12 58545753 LDPZKOMUAOUDNJ-OAHLLOKOSA-N 323.400 2.653 0 40 DFAB CCOc1ccccc1N[C@H](C)C(=O)NC(=O)NC(C)(C)C 28806314 YQTDKIFOAIKVOE-LLVKDONJSA-N 307.394 2.510 0 40 DFAB Cc1nc(CCNC(=O)COc2ccccc2Cl)cs1 27793738 OCPNPZVWVFNBFD-UHFFFAOYSA-N 310.806 2.843 0 40 DFAB COc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)no2)cc1 11915607 KWPWPTUYRAGXJK-UHFFFAOYSA-N 316.342 2.762 0 40 DFAB Cc1cc(Cl)ccc1OCCC/C(O)=N/S(C)(=O)=O 48478769 IZSSTPGAWIPOKD-UHFFFAOYSA-N 305.783 2.724 0 40 DFAB CCc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)sc1C 72272255 HDGMVAVRABZICX-CYBMUJFWSA-N 304.419 2.688 0 40 DFAB Cc1ccc(C(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)cc1F 13436773 DNYOQZZTLKLBTB-HNNXBMFYSA-N 315.300 2.627 0 40 DFAB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 4143208 VQFOGXGGJWPGIM-WFXMFSGNSA-N 305.333 2.673 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1 5015300 UZRCQEQGIUBUTL-UHFFFAOYSA-N 314.385 2.737 0 40 DFAB Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1C 6171012 WCYUYDGAOUWQCG-UHFFFAOYSA-N 301.375 2.774 0 40 DFAB CCn1cnnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 65287874 AQMJEJCIYRYWNO-MRXNPFEDSA-N 312.417 2.637 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccncc1 6314610 VUBXVNBLDIJCIM-VIFPVBQESA-N 314.769 2.914 0 40 DFAB CC(C)(C)NC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 4740840 WSNPRBTXCROBOO-UHFFFAOYSA-N 319.426 2.918 0 40 DFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCC(C)C)c12 14899019 NOPBCGUVFIBWNP-UHFFFAOYSA-N 300.406 2.930 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1 14824130 NFHAPDLCDAJFCX-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB Cc1cc(C)cc(N(C(=O)C(C)(C)C)[C@@H]2C=CS(=O)(=O)C2)c1 6805839 SJBVTFZZRHFDCZ-CQSZACIVSA-N 321.442 2.993 0 40 DFAB Cc1nn(-c2ccccc2)cc1CNC(=O)NCc1ccco1 97080166 FSBYOAFRFGDHDX-UHFFFAOYSA-N 310.357 2.773 0 40 DFAB CN1CCN(C(=O)c2ccc(Cl)nc2)c2ccc(F)cc21 96432432 XYHWAIXLPOPVQT-UHFFFAOYSA-N 305.740 2.971 0 40 DFAB CCc1noc(CC)c1CNC(=O)NCc1scnc1C 96461527 XOUJUEHCICRULY-UHFFFAOYSA-N 308.407 2.564 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C12CCC2 96423405 KOPMZFWPHXIMGB-YNEHKIRRSA-N 320.389 2.604 0 40 DFAB CC(C)(CC(=O)N[C@@H](c1ccccc1)c1ccco1)C(=O)O 96406733 WGOPIJQOWLEOGI-HNNXBMFYSA-N 301.342 2.986 0 40 DFAB CCCOC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 16121799 FRUMFHGJWOJNOY-HUUCEWRRSA-N 315.369 2.933 0 40 DFAB Cc1cc(CN2CCN(C(=O)c3ccco3)CC2)c(C)s1 71828111 VWWZMIBQBZSKGX-UHFFFAOYSA-N 304.415 2.916 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2CCOCC(F)(F)F)n1 71876104 CHUDFIYLHGMMKC-CYBMUJFWSA-N 305.344 2.543 0 40 DFAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC(C)C)n1C 8268402 MGIYMYLQFDCZGL-LBPRGKRZSA-N 318.446 2.796 0 40 DFAB C/C=C/CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 71908034 MCGAFSHLPJTCPJ-IDOMTICXSA-N 314.429 2.930 0 40 DFAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(OC(F)F)c1 71921111 WFHYNIVWVVICSF-NXEZZACHSA-N 302.321 2.817 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCc3ccccc32)c(=O)[nH]1 72271210 TUNDTRLZKGAQQF-MRXNPFEDSA-N 310.397 2.728 0 40 DFAB O=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc(F)cc1F 9691136 GMKFLBUSESTVTQ-UHFFFAOYSA-N 318.254 2.697 0 40 DFAB CN1CCN(C(=O)COCc2ccccc2)c2ccccc2C1 69846707 OIZBZEPVIPDCMG-UHFFFAOYSA-N 310.397 2.682 0 40 DFAB Cc1cc(OCC(=O)Nc2ccc3nc(C)sc3c2)no1 18118274 XQGDQSAIEXGSRZ-UHFFFAOYSA-N 303.343 2.919 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 8778630 RVWBVKXLKCYMHG-UHFFFAOYSA-N 305.337 2.903 0 40 DFAB CC(C)[C@H](CN1CCOCC1)NCc1cnc(C2CCC2)s1 95415561 XPSYSGAONREVKN-INIZCTEOSA-N 323.506 2.857 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CCC1CCCC1 95451996 ZQTMCTGZEWRWLK-OAHLLOKOSA-N 305.422 2.897 0 40 DFAB O=C(C[C@@H]1OCCc2ccccc21)NC[C@@H](O)C1CCCCC1 95959902 LPGZXIBQZPPZFY-MSOLQXFVSA-N 317.429 2.748 0 40 DFAB CC(C)[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccncc1 95976569 QPZYIYADYQNDNK-JKSUJKDBSA-N 303.406 2.599 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)C2CCC(CO)CC2)C1 95972234 GDOFWGGRLSKKBZ-HXSCFSKGSA-N 314.495 2.853 0 40 DFAB CN1CCN(C(=O)Nc2cnc(C3CC3)nc2)Cc2ccccc21 89382841 LTGMAEHITBTHCD-UHFFFAOYSA-N 323.400 2.838 0 40 DFAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1c1ccc[nH]1 75125810 DVCPBEOHOTUTPC-OAHLLOKOSA-N 323.352 2.940 0 40 DFAB FC(F)(F)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1 89787625 KSTDMWHWYXENIY-OAHLLOKOSA-N 314.351 2.612 0 40 DFAB C[C@@H](CC(=O)c1ccco1)NC(=O)COc1ccccc1F 89894707 IBPIQBBPXQSTPQ-NSHDSACASA-N 305.305 2.575 0 40 DFAB CCCCn1cc(I)c(COCC)n1 408716377 MFEFRRUJNVFIEK-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB CC[C@@H](C)NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707977 UHCPUINQWZGGIM-OAHLLOKOSA-N 324.424 2.849 0 40 DFAB Cn1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cn1 79330990 WBLYSMIQQLEIBA-UHFFFAOYSA-N 302.721 2.981 0 40 DFAB Cn1ccnc1[C@@H](NCc1cnc2ccccc2c1)C(C)(C)CO 521394673 GUPNEWVFSXZWMI-QGZVFWFLSA-N 324.428 2.818 0 40 DFAB Cc1cccn2c(=O)cc(CN3c4ccccc4C[C@H]3C)nc12 32510345 ZMYXUXQDCMKZPR-CQSZACIVSA-N 305.381 2.954 0 40 DFAB Cc1ccc(CN2[C@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)o1 72327425 WKDLEJJUXBPDEV-IRWQIABSSA-N 323.396 2.877 0 40 DFAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1NCCO 79411088 SQLOZRKRYCJWKC-DLBZAZTESA-N 320.433 2.538 0 40 DFAB COCc1cccc(S(=O)(=O)NCCc2ccc(C)cc2)c1 72240287 BZXHGGIXSGYXLE-UHFFFAOYSA-N 319.426 2.662 0 40 DFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 222992284 AITFAYLYCGAUIJ-UONOGXRCSA-N 319.455 2.762 0 40 DFAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1 85559017 UQCLZFQMGHVPRV-LLVKDONJSA-N 323.801 2.800 0 40 DFAB CCOC(=O)c1ccc2c(NC)c(C(=O)OCC)cnc2c1 40175699 JEQWCRPJNYJFKQ-UHFFFAOYSA-N 302.330 2.630 0 40 DFAB CCCNC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 224864571 UZPYAVYZHBKOHA-UHFFFAOYSA-N 318.373 2.818 0 40 DFAB CCn1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cn1 85481716 FVYKISGZCYNIBK-INIZCTEOSA-N 311.385 2.781 0 40 DFAB COC[C@H](O)CN(C)Cc1ccc(Br)cc1Cl 135021388 OMSFEEMOSYPMSC-LLVKDONJSA-N 322.630 2.542 0 40 DFAB Cc1nc2nc3cc[nH]c(=O)c3c(-c3ccc(Cl)cc3)n2n1 40372850 QQHYGEFISZXBTB-UHFFFAOYSA-N 311.732 2.595 0 40 DFAB Cc1cc(C)cc(OCC(=O)NCc2ccc(C(=O)O)s2)c1 574981080 YWYURNJUONRVQB-UHFFFAOYSA-N 319.382 2.758 0 40 DFAB CC[C@@H](OC1CCCCC1)C(=O)NC(C)(C)c1cnn(C)c1 195539687 AMLUNAVOWYFFKI-OAHLLOKOSA-N 307.438 2.899 0 40 DFAB CNc1ncccc1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 1594769305 LQVIETVAOINGMB-UHFFFAOYSA-N 301.737 2.905 0 40 DFAB CCCOc1nc(C)ccc1C(=O)N(C)CC1CCOCC1 195579909 ZHTAMXKMQGWRNE-UHFFFAOYSA-N 306.406 2.677 0 40 DFAB C[C@H]1CN(Cc2nccs2)C[C@@H](C)N1Cc1nccs1 191150796 BBIHGFNTLMKCRR-TXEJJXNPSA-N 308.476 2.694 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1ccc(OC(F)F)cc1 96433740 HIULRVFQOOALLF-LLVKDONJSA-N 300.305 2.931 0 40 DFAB CN(C)c1c(Cl)cccc1NC(=O)NC[C@@H]1CCC[C@H]1O 96434072 CWJHMCZBTDBRBI-GXFFZTMASA-N 311.813 2.689 0 40 DFAB CC[C@@H](C)n1nccc1NC(=O)Cn1cc(-c2ccccc2)nn1 96474949 STYPEWWPGYURSC-CYBMUJFWSA-N 324.388 2.751 0 40 DFAB O=C1CN(Cc2cccc(-c3cccnc3)c2)[C@H]2CCCC[C@@H]2N1 92703167 VURVNAHODALGTO-OALUTQOASA-N 321.424 2.992 0 40 DFAB CC[C@@](C)(CO)NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 96459629 ZCAOCHVXSXREKX-INIZCTEOSA-N 320.368 2.602 0 40 DFAB CCc1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1F 96483763 FTZXBCLQYVVZSK-UHFFFAOYSA-N 323.412 2.620 0 40 DFAB CCS(=O)(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583651900 VAIQDALLTMYMGW-LURJTMIESA-N 322.217 2.870 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCC(C)CC2)n1 96182839 TXLFSCPYMZXCAY-UHFFFAOYSA-N 302.422 2.647 0 40 DFAB c1ccc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96209425 UYKDHLWJTBOYFC-ROUUACIJSA-N 314.385 2.625 0 40 DFAB c1ccc(OC[C@]23CCCO[C@@H]2CCN(CC2CC2)C3)nc1 96057084 DBSSLVAYWJDCEV-SJLPKXTDSA-N 302.418 2.742 0 40 DFAB CC(C)(NC(=O)CCn1cccn1)c1nc2ccccc2s1 529695125 XDZXVHPDBRCSRP-UHFFFAOYSA-N 314.414 2.934 0 40 DFAB Cc1cc(O)nc([C@@H](C)N2CCO[C@H](c3ccc(C)o3)C2)n1 248710329 CHJQHRKDZHQAHN-OCCSQVGLSA-N 303.362 2.527 0 40 DFAB Cc1cc([C@@H]2CCCCN2C(=O)c2cccn2C)nc2ccnn12 257222851 DUXDODLWTMCBEN-HNNXBMFYSA-N 323.400 2.744 0 40 DFAB Cc1cc(-c2nc(C)c(CCO)s2)nc([C@@H]2CCCCN2)n1 257261094 LFRQZZZXOSWFSB-LBPRGKRZSA-N 318.446 2.566 0 40 DFAB COC(=O)c1sc2nc(C)nc(N3CCSC3)c2c1C 69598676 YAFAJWHBVBCUDU-UHFFFAOYSA-N 309.416 2.605 0 40 DFAB COC(=O)[C@H]1CC12CCN(c1ncnc3c(C)csc13)CC2 253429083 GKRKGRHWKFGWCU-LLVKDONJSA-N 317.414 2.779 0 40 DFAB CC(C)C[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO 257323215 WJEPDYVBIAQNFK-PVYRDQNTSA-N 323.477 2.741 0 40 DFAB O=C(O)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 257233397 GPCSZBBXZNGRIB-UHFFFAOYSA-N 318.304 2.532 0 40 DFAB CO[C@]1(COc2ccccc2)CCCN(Cc2c[nH]nc2C)C1 585275028 UGBSQGMLMWPKQC-GOSISDBHSA-N 315.417 2.778 0 40 DFAB c1ccc2sc([C@H]3CCCN3CCN3CCOCC3)nc2c1 71014733 MRDBJFCRIIWKQG-OAHLLOKOSA-N 317.458 2.765 0 40 DFAB COc1ncccc1CNC(=O)N1CCC[C@@H]1c1ccncc1 45965096 GHHRKVSMNYUKLI-OAHLLOKOSA-N 312.373 2.532 0 40 DFAB CCC(CC)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 48943616 NYPHKKZIBGHJMM-UHFFFAOYSA-N 317.838 2.666 0 40 DFAB O=C(NCc1ccc(CO)c(F)c1)Nc1ccc(F)cc1F 53756052 IYKXRIIDVDHPCU-UHFFFAOYSA-N 310.275 2.918 0 40 DFAB CN(CCc1cccs1)C(=O)NCCc1cccc(O)c1 74062599 WADUJBILKISHFC-UHFFFAOYSA-N 304.415 2.880 0 40 DFAB C[C@H](CCCO)NC(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 88590863 DFEKLWLOUWHYBK-WQVCFCJDSA-N 308.397 2.922 0 40 DFAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1noc(C2CC2)n1 84451939 GVIQZXIJGRTHHJ-AWEZNQCLSA-N 323.356 2.801 0 40 DFAB CN(Cc1cc(Cl)ccc1Cl)C[C@H]1CCS(=O)(=O)C1 96424493 RZANDXGMJCJSET-SNVBAGLBSA-N 322.257 2.860 0 40 DFAB O=C(O)/C(S)=C\c1ccc(I)cc1 101252563 DJCVSFWGKYHMKH-VMPITWQZSA-N 306.124 2.647 0 40 DFAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 5002756 BPKNDDWPCNHIKB-OAHLLOKOSA-N 318.373 2.666 0 40 DFAB CC(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 15339328 WXWVDXAXIDYQAM-UHFFFAOYSA-N 309.365 2.853 0 40 DFAB C[C@@H](CN1CCN(C)CC1)OC(=O)c1ccc(C(C)(C)C)cc1 19360933 MNKYJVRLUBFROW-HNNXBMFYSA-N 318.461 2.777 0 40 DFAB CO[C@@H](C(=O)N(C)Cc1cn(C)nc1C(C)C)c1ccccc1 157127121 JPJBJRABQQMTJZ-QGZVFWFLSA-N 315.417 2.890 0 40 DFAB COc1ccc(CNCCCNCc2ccc(OC)cc2)cc1 1694547 QVGJBXLXNGAZPZ-UHFFFAOYSA-N 314.429 2.973 0 40 DFAB COc1ccc(NC(=O)c2cc(N)ccc2N(C)C)c(OC)c1 226324015 STONANJCQISPOV-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB O=C(C1CCN(Cc2ccccn2)CC1)N1CCC(F)(F)CC1 1889099081 LULLQCCMSBJGMM-UHFFFAOYSA-N 323.387 2.551 0 40 DFAB CCCCC(=O)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2 4105855 YDPMEMNVNXKPTE-JOCHJYFZSA-N 317.414 2.763 0 40 DFAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCCCC1 4374024 CEFNFTNERAHBKW-AWEZNQCLSA-N 319.380 2.517 0 40 DFAB O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCC1 4377125 HZBRVJIGIMRIHR-UHFFFAOYSA-N 307.357 2.920 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)c1cccc(Cl)c1 10594183 CAWJSAIWRJQMIG-UHFFFAOYSA-N 319.796 2.762 0 40 DFAB O=C(Nc1cc2c(cc1[C@H](O)C1CC1)OCCO2)c1ccco1 13957459 JLJXHAXKNLSXFO-MRXNPFEDSA-N 315.325 2.747 0 40 DFAB Cc1ccc(C[C@H]2C(=O)N(c3nccs3)C(=O)[C@H]2C)cc1 107184058 PWKSPBUHYNPBHR-WCQYABFASA-N 300.383 2.820 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cn1 40120767 UGTPJLHZAIWXJT-ZDUSSCGKSA-N 320.418 2.576 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20738781 HGVVZWRBFQACLY-RDTXWAMCSA-N 324.380 2.853 0 40 DFAB C[C@]1(O)CN(C(=O)c2ccccc2)C(=S)N1c1ccccc1 366675 VILHSVOZNZBVOV-KRWDZBQOSA-N 312.394 2.642 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 41130774 GROWVQFHFFSOGD-KRWDZBQOSA-N 322.408 2.542 0 40 DFAB CCOC(=O)c1nc(COC(=O)c2ccccc2F)cs1 32913754 RJUHHPMKUWDRMM-UHFFFAOYSA-N 309.318 2.816 0 40 DFAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCCCCC1 22314848 HUCOVQRDEFSFGZ-OAHLLOKOSA-N 300.402 2.980 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)OCC(F)(F)F 72508808 ITACXJFABCKASN-UHFFFAOYSA-N 308.277 2.655 0 40 DFAB O=C(CSCc1c(F)cccc1Cl)N1CCOCC1 582802 ARRZQYLIAORLOA-UHFFFAOYSA-N 303.786 2.571 0 40 DFAB O=C(COc1cccc2[nH]ccc12)Nc1ccc2c(c1)OCO2 12406781 CQDYPKLAVZSUJD-UHFFFAOYSA-N 310.309 2.914 0 40 DFAB O=C(CSc1nnc(-c2ccncc2)o1)Oc1ccccc1 1378702 QYVVQOBPBZCRPZ-UHFFFAOYSA-N 313.338 2.829 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1F 78951205 NUBIARSRPRZOGT-ZJUUUORDSA-N 308.332 2.820 0 40 DFAB CC(C)OC[C@H](O)CCc1n[nH]c(=S)n1-c1ccccc1 6533488 GYMWMMUOYVRTCG-CYBMUJFWSA-N 307.419 2.648 0 40 DFAB COC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549825 CRUYKTMDCIMYMV-JTQLQIEISA-N 303.387 2.798 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccc(C)nc1)c1ccc(C)cc1 23450009 QVAUUSHKAVWWMM-MRXNPFEDSA-N 312.369 2.733 0 40 DFAB COc1cccc(C(=O)c2ccccc2OC(C)=O)c1OC 43209812 ATKZONNUYVPZTJ-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cc1cccs1 24984879 JLACDBLBRMFCJW-OAHLLOKOSA-N 314.410 2.920 0 40 DFAB Cn1cc(Cl)cc1C(=O)Nc1cccnc1-n1cccn1 25011300 ICMMXIGGIQAYKF-UHFFFAOYSA-N 301.737 2.512 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)cc1C(N)=O 58167409 MAFAEYAUBGMJAQ-MFKMUULPSA-N 323.824 2.546 0 40 DFAB Cc1ccc(C)c(N2C[C@H](C(=O)NCc3ccco3)CC2=O)c1 59227244 ZGKYPGVSYRETGG-CQSZACIVSA-N 312.369 2.566 0 40 DFAB CS(=O)(=O)c1ccccc1NC(=O)NCCc1cccs1 43928961 ZVWKKQJAAAHLJL-UHFFFAOYSA-N 324.427 2.516 0 40 DFAB O=C(O)[C@@H]1C(=O)N(Cc2ccccc2)[C@H]2C[C@H]1c1ccccc1O2 104181389 ZRVMUKAUGFEWTN-UAGQMJEPSA-N 323.348 2.622 0 40 DFAB C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 108382633 YKTIEJXLFIJRKE-GBIKHYSHSA-N 300.324 2.962 0 40 DFAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F 12750607 MRBADDIIFBQOMR-LLVKDONJSA-N 316.332 2.844 0 40 DFAB CNC(=O)NC(=O)CCSCc1c(F)cccc1Cl 45008677 RYTMSEUYVDTLIU-UHFFFAOYSA-N 304.774 2.558 0 40 DFAB COc1ccc(C)cc1NC(=O)c1ccc(-n2ccnc2)nc1 28027622 OXITYYGNXMWDDP-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CC(C)NC(=O)CSCc1ccc(C(=O)N2CCCC2)cc1 28258625 JHZGENNPAUIUNY-UHFFFAOYSA-N 320.458 2.680 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2cc1O 29091632 GIBUBWLFGRMCRW-UHFFFAOYSA-N 310.397 2.902 0 40 DFAB Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 11591198 IGBQWVAJLSHYCO-IBGZPJMESA-N 322.364 2.725 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@@H](O)c1ccc(Cl)cc1 71185568 OLKJQECABKMZSK-CQSZACIVSA-N 316.744 2.890 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1cc(Cl)ccc1Cl 116937283 VOHXWPKVMCSPDN-UHFFFAOYSA-N 318.185 2.966 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@@H](n2cccn2)C1 65608441 YGKLIKGFYBCWFA-CQSZACIVSA-N 306.369 2.909 0 40 DFAB CCOC(=O)[C@H](OC(=O)Cc1cccc(C)c1)c1cccnc1 84791207 KDKJMFGLOLLYIC-QGZVFWFLSA-N 313.353 2.780 0 40 DFAB NC(=O)N[C@@H](CC(=O)NC1CCCCCC1)c1cccs1 14269641 FJHMXRMCNJJEEX-LBPRGKRZSA-N 309.435 2.687 0 40 DFAB CN(CC(=O)NCC1CCC1)Cc1ccccc1N1CCCC1 66656977 LJMIGDRRXMNIQR-UHFFFAOYSA-N 315.461 2.635 0 40 DFAB O=C(COc1cccc(C(F)(F)F)c1)NCCc1ccccn1 6831121 GSPBZAMORFFPBD-UHFFFAOYSA-N 324.302 2.838 0 40 DFAB C[C@@H]1CCCN(C[C@H](O)COc2ccc(F)cc2Cl)C1 4979930 ZAUYBPRUCGNWIN-YPMHNXCESA-N 301.789 2.951 0 40 DFAB CCN(CC)Cc1nnc2sc(-c3cccc(F)c3)nn12 67239773 ADNNNQXNWQIHLP-UHFFFAOYSA-N 305.382 2.834 0 40 DFAB COc1ccc(-c2n[nH]c(SC[C@H]3CCCO3)n2)c(OC)c1 68749259 HKAOXLSKWSUPPC-LLVKDONJSA-N 321.402 2.760 0 40 DFAB CC(C)c1nnc2n1C[C@H](Nc1ncnc3ccsc13)CC2 97199306 CPJHQBKDDAVFLW-SNVBAGLBSA-N 314.418 2.833 0 40 DFAB COc1ccccc1C(=O)NC(=S)NCCc1ccccc1 17052761 YYUUCANPVUJXID-UHFFFAOYSA-N 314.410 2.542 0 40 DFAB Cc1cnn(CC(=O)NCc2ccc(-c3ccccc3F)o2)c1 69453498 MUUMCMAQWZEBNC-UHFFFAOYSA-N 313.332 2.907 0 40 DFAB CCn1cc(NC(=O)CSCc2nc3ccccc3[nH]2)cn1 69445158 CRCMREJFKPMHAD-UHFFFAOYSA-N 315.402 2.651 0 40 DFAB COC(=O)c1oc([C@H](C)N2CCC(n3cccn3)CC2)cc1C 91559953 YOWZZRPBBMIBSU-ZDUSSCGKSA-N 317.389 2.969 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[C@H](N)C1 91547337 HILXBFQHCDGUIB-PWSUYJOCSA-N 311.223 2.535 0 40 DFAB COc1ccc2nc(N3CCC[C@@H](CC(N)=O)C3)c(C)cc2c1 91621872 ZHODTZXDWIBZJV-ZDUSSCGKSA-N 313.401 2.644 0 40 DFAB CC(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)NC2CC2)c1 69619196 GRQQFYJZHDQDGL-GFCCVEGCSA-N 318.421 2.814 0 40 DFAB COc1ccsc1C(=O)N1CCCC[C@@H]1Cn1cccn1 69969990 MKSTVNAWOOSHSN-GFCCVEGCSA-N 305.403 2.648 0 40 DFAB Cc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1 97232852 WDSLSNBVPCOUAR-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB O=C(CCSc1ccccn1)N1CCO[C@H]2CCCC[C@H]21 87134192 OPBPAAYCKPIZFJ-KGLIPLIRSA-N 306.431 2.734 0 40 DFAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc2[nH]ccc12 72403606 CPNOFGMSIGJMAD-INIZCTEOSA-N 305.337 2.981 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)c1nccn2ccnc12 95404095 VUQTZNDNYHOAQP-UHFFFAOYSA-N 324.384 2.584 0 40 DFAB O=C(OCc1ccccn1)c1ccnc(OCC(F)(F)F)c1 95401162 JQDMZHWVZYCIQA-UHFFFAOYSA-N 312.247 2.775 0 40 DFAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1ccn(C)n1 95461118 IKOOKRFRBYIEAD-UHFFFAOYSA-N 306.431 3.000 0 40 DFAB CC[C@H]1CN(C(=O)CCNC(=O)OC)CC[C@H]1c1ccccc1 74264988 LHUOMLKVEGVTJZ-GOEBONIOSA-N 318.417 2.775 0 40 DFAB CC[C@@H](SC)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 95977506 VHDVYZUOEDWLBL-GFCCVEGCSA-N 320.418 2.883 0 40 DFAB C[C@H]1SCCN(C(=O)NC2CC(C)(C)NC(C)(C)C2)[C@@H]1C 95960274 SYSQGTDVYRLBNT-VXGBXAGGSA-N 313.511 2.831 0 40 DFAB CCCc1nc([C@H](NC(=O)NC2CC2)c2ccccc2)no1 86167210 PTPJALLPXAPWJH-CQSZACIVSA-N 300.362 2.573 0 40 DFAB C[C@@H](Cc1ccccc1Br)NC(=O)Cc1ccon1 89904196 DBZWLXZXJKHTOH-JTQLQIEISA-N 323.190 2.727 0 40 DFAB Cc1cn[nH]c1[C@]1(C)CCCN(C(=O)COc2ccccc2)C1 72388843 QYXCECGUVJKKBT-GOSISDBHSA-N 313.401 2.677 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@]1(O)CCCc2occc21 1565523178 IIIFBOHBXRTVSA-SQRWCISFSA-N 303.383 2.695 0 40 DFAB CCOC(=O)c1csc(NC(=O)NCc2ccc(F)cc2)n1 36709113 FIROXTAACWDXQG-UHFFFAOYSA-N 323.349 2.781 0 40 DFAB COc1ccc(C)cc1CN1CCN(C(=O)C2CCCC2)CC1 39981956 POIQYSHBVCKYTF-UHFFFAOYSA-N 316.445 2.838 0 40 DFAB FC(F)(F)Cn1ccnc1COc1ccc2c(c1)OCO2 76693896 UKEMFRAMUOYGOS-UHFFFAOYSA-N 300.236 2.753 0 40 DFAB CCCCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 40640104 ZUIWZJBNVKLEBV-UHFFFAOYSA-N 324.446 2.537 0 40 DFAB CCC(CC)[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C1 195555721 CDKLJWNMVDYFMA-ZDUSSCGKSA-N 300.406 2.867 0 40 DFAB NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 222781558 RZLKGFQVSNGJER-UHFFFAOYSA-N 306.724 2.759 0 40 DFAB COc1cc(-c2nc(COc3ccccc3F)n[nH]2)ccc1O 85384239 XELGOALPHNJBBK-UHFFFAOYSA-N 315.304 2.904 0 40 DFAB COc1cccc(O[C@@H](Cc2ccccc2OC)C(=O)O)c1 225097247 XUEILWLLOWYTRM-INIZCTEOSA-N 302.326 2.779 0 40 DFAB Cc1ccc([C@H]2CCCCCN2C[C@@H](O)Cn2cccn2)o1 195530611 JFWWXJKCNUQOMD-HZPDHXFCSA-N 303.406 2.763 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2scnc2C)C1 194322685 XTYQMJCNOONDKY-HNNXBMFYSA-N 310.419 2.503 0 40 DFAB CN1CCC(N2CC[C@H](c3nnc(-c4ccccc4)o3)C2)CC1 49169341 PNUOAVVWRQBTRC-HNNXBMFYSA-N 312.417 2.620 0 40 DFAB biogenic,in-vitro O=C(NC1CCCC1)c1ccc2c(c1)ncn2C1CCNCC1 575444805 REFVBYAVQCMOBY-UHFFFAOYSA-N 312.417 2.633 0 40 DFAB c1csc(SC[C@H]2CN=C(N3CCOCC3)S2)c1 96409771 ZZWCHABEZCIIHN-SNVBAGLBSA-N 300.474 2.644 0 40 DFAB C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1 96444847 OVMIYYMVIZUDMJ-CYBMUJFWSA-N 306.369 2.973 0 40 DFAB COC(=O)c1ccc2nc(SCCn3cccn3)oc2c1 96409193 DKMZCYBCWMTCCK-UHFFFAOYSA-N 303.343 2.603 0 40 DFAB Cc1cc(CNC(=O)NC[C@](C)(O)c2cccs2)c(C)o1 96417771 WGJUKIUHCHISFW-HNNXBMFYSA-N 308.403 2.665 0 40 DFAB COC(=O)c1cc(CNc2ccc(Br)cn2)c[nH]1 96495310 WEOACXGDZHOXDP-UHFFFAOYSA-N 310.151 2.571 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 248708339 BMLMLNBHUTWMLH-USXIJHARSA-N 311.385 2.602 0 40 DFAB C[C@H]1c2cc(F)ccc2CCN1C(=O)CN(C)[C@H]1CCSC1 253369309 AWJFTZALPZPPLR-WFASDCNBSA-N 322.449 2.709 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2Cc2ccc3ncccc3c2)n1 257230402 GCEBSIYUIFUHCR-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(CCc2ccncc2)CC1 69571215 SDEMUZITYUNMCP-UHFFFAOYSA-N 305.422 2.613 0 40 DFAB C[C@H](N[C@@H](C)[C@@H](C)n1cccn1)C(=O)NCCC1=CCCCC1 69592285 RPTVHLWVXYDEBS-HRCADAONSA-N 318.465 2.817 0 40 DFAB Cn1ccc([C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)n1 390829137 CXWKYTNNUTWJFF-YBJDMEARSA-N 301.415 2.901 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CC[C@H]2CCCO2)c1 69696597 XSIGVADCRDDOCG-HZPDHXFCSA-N 305.422 2.532 0 40 DFAB CC(=O)N1CCCC[C@H]2CN(CC3(O)CCCCCC3)CC[C@H]21 585284664 URMPIRIWXOXSPN-ZWKOTPCHSA-N 322.493 2.795 0 40 DFAB c1ccc(O[C@H]2CCOC3(C2)CN(Cc2ccsc2)C3)nc1 585103910 DPMOUMOXALSSKT-HNNXBMFYSA-N 316.426 2.956 0 40 DFAB Cc1ccc2nc(Cl)c([C@H]3NC(=O)[C@@H]4CCCN43)cc2c1 35343856 RHLYDZNZNSDIMV-ZFWWWQNUSA-N 301.777 2.789 0 40 DFAB CC(C)(C)c1nc(CN2CCC(N3CCCCC3)CC2)no1 52005152 HUPLVEFLEPEVOC-UHFFFAOYSA-N 306.454 2.817 0 40 DFAB COCCN(Cc1ccccn1)C(=O)c1cc(F)c(C)cc1F 84077285 MVFHCOLVISWKED-UHFFFAOYSA-N 320.339 2.957 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2nc(C)n3c2CCCC3)C12CCC2 81835589 OBNSACMIQJCURO-HUUCEWRRSA-N 317.433 2.605 0 40 DFAB COc1ccccc1N1C(=O)C[C@H](Nc2cccc(F)c2)C1=O 96301210 NNHYJMOIRLIGJJ-ZDUSSCGKSA-N 314.316 2.578 0 40 DFAB CN(CCO)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 153574108 XIXGLXFEOOQVPE-JTQLQIEISA-N 310.703 2.577 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C(=O)O)C(C)C 20745136 VJKSGHTZAKUSTQ-LBPRGKRZSA-N 318.398 2.958 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 9853934 GLIGFZPCWDXCJP-MRVPVSSYSA-N 318.598 2.963 0 40 DFAB CSc1ccc2nc(N3CC(n4nccn4)C3)sc2c1 1889151936 MHFJCEVIJDYIJT-UHFFFAOYSA-N 303.416 2.671 0 40 DFAB COc1ccc2c(CC(=O)NCCc3ccccn3)coc2c1 21044944 RUSXPRYBKPISQP-UHFFFAOYSA-N 310.353 2.738 0 40 DFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H]1c1ccncc1 24434599 BMPSHDLTJPYUJA-AWEZNQCLSA-N 324.352 2.886 0 40 DFAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc(F)cc1 4520366 DITRHERLQQIVDS-RISCZKNCSA-N 307.369 2.785 0 40 DFAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)cc(OC)c1O 12418382 NMSWDUCNVXDUGI-VIFPVBQESA-N 305.355 2.945 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)cn1 30009538 NKINHFDGHWMICD-SECBINFHSA-N 307.300 2.808 0 40 DFAB Cc1cc2occ(CC(=O)O[C@@H]3CCCCNC3=O)c2cc1C 40025117 BXVVLRVVZHCAKF-OAHLLOKOSA-N 315.369 2.804 0 40 DFAB Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1F 30318479 NTXDHTNIEUPWSM-UHFFFAOYSA-N 312.388 2.922 0 40 DFAB CC(C)NC(=O)CN(C)Cc1coc(-c2ccc(Cl)cc2)n1 31083750 FOGKZARNJIVFLY-UHFFFAOYSA-N 321.808 2.951 0 40 DFAB O=c1[nH]ncc(NCc2ccccc2OC(F)(F)F)c1Cl 40477335 LQZOBWYIKGOYRE-UHFFFAOYSA-N 319.670 2.934 0 40 DFAB CC(=O)N[C@H](CC(=O)N(C)c1nccs1)c1ccc(C)cc1 40516305 GCWHLDOPYGRJQW-CQSZACIVSA-N 317.414 2.682 0 40 DFAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccccc1 32124209 NRFSWJNCWWPUMO-HNNXBMFYSA-N 323.352 2.806 0 40 DFAB biogenic COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 365283 PETMNWNXZFLNST-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB CC(C)[C@H](NCC(=O)Nc1nncs1)c1ccc(F)cc1 53143921 WBQAJTDQWXKYJO-ZDUSSCGKSA-N 308.382 2.603 0 40 DFAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1C(C)=O 47093 CCKPGZKAZFRFHP-ZUZCIYMTSA-N 300.358 2.565 0 40 DFAB CCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)NC1=S 2751919 QIKPDSYIDNYHCQ-XFXZXTDPSA-N 320.414 2.562 0 40 DFAB CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H](C)n2cncn2)c1 47000681 BDCHVPZNUOFRIT-QWHCGFSZSA-N 302.378 2.504 0 40 DFAB CC1CCC(C)(NC(=O)NCC[S@](=O)C(C)(C)C)CC1 77810727 BKLZWHIFLCPZLA-DUSSMYEOSA-N 302.484 2.802 0 40 DFAB CC(C)c1nc(C[S@](=O)CC(=O)NC2CCCC2)cs1 78394680 MSDLUKPYARERSU-HXUWFJFHSA-N 314.476 2.574 0 40 DFAB CC(C)c1ccc([C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 103507372 KHZPRQPZUXZUGJ-BBWFWOEESA-N 313.397 2.795 0 40 DFAB COc1ccc([C@@H](CC(=O)NC2CCCCC2)NC(C)=O)cc1 22863975 CUQNRSRYMFQBMK-QGZVFWFLSA-N 318.417 2.711 0 40 DFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc3cccnc23)C1 1100852 XDGFNMSJWRZXAD-CHWSQXEVSA-N 304.415 2.901 0 40 DFAB C[C@@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 72230625 CFSSEHNGEAHFNR-YPMHNXCESA-N 320.389 2.517 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)COc1ccccc1 56122974 SFHHRBVIFWBEFG-ZDUSSCGKSA-N 323.389 2.880 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)OC(C)(C)C1 106644951 FTZSFXNOEKBIRJ-VHDGCEQUSA-N 303.402 2.825 0 40 DFAB O=C1COc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2N1 25134606 XAHABGRAQGWNKL-HNNXBMFYSA-N 322.364 2.825 0 40 DFAB Cc1nc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)sc1C 100279047 UFJVFFSFEDKRCA-GJZGRUSLSA-N 308.403 2.820 0 40 DFAB COc1c(C(=O)N(C)c2ccc(SC)cc2)c(C)nn1C 95396161 PUTLLRGJYDYENA-UHFFFAOYSA-N 305.403 2.736 0 40 DFAB CC(=O)N1CCC(NC(=O)/C=C/c2c(F)cccc2Cl)CC1 44870915 LBPBTSYYNFLHAP-AATRIKPKSA-N 324.783 2.619 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccco1)CC2 44889695 GDPFLAHDHOKNFN-UHFFFAOYSA-N 316.357 2.565 0 40 DFAB CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 58278775 TWSPMEVMFREFTG-RYUDHWBXSA-N 310.825 2.550 0 40 DFAB CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 58290579 YMBJGARGFFYPAR-OAHLLOKOSA-N 313.405 2.703 0 40 DFAB COc1ccc(CC(=O)Nc2ccc(OC)c(OC)c2)cc1 2181311 SMNUTDJMOBXXCK-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)[C@H]1CCCO1 27880839 ZXVWGWIKTBQOKL-ZWNOBZJWSA-N 317.414 2.811 0 40 DFAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H]1CCCN(C)C1 58305017 KRRHTLBNRUMZSZ-HNNXBMFYSA-N 314.433 2.705 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)C[C@H]1C=CCC1)C2 97198132 UREVGIFITDOXCJ-UONOGXRCSA-N 301.434 2.968 0 40 DFAB CCC[C@@H](C)NC(=O)Nc1cccc(CN2CCOC2=O)c1 58439923 HQQQXHZWURURTA-GFCCVEGCSA-N 305.378 2.949 0 40 DFAB CSCC[C@@H](N)c1nc(C2=Cc3ccccc3OC2)no1 62716590 HNHCUSRFWKXGAH-GFCCVEGCSA-N 303.387 2.756 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 10737717 YRUSOTXDZCHTPR-OAHLLOKOSA-N 323.352 2.597 0 40 DFAB Cc1ccccc1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 10757313 JIWVKVHFCOUAGM-UHFFFAOYSA-N 309.321 2.578 0 40 DFAB C1CC(N2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)C1 107771420 ABBOZEKEHIORFO-MOPGFXCFSA-N 323.477 2.853 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(F)cc2F)n1 48374829 IFQXYGIESWAESC-SNVBAGLBSA-N 307.344 2.844 0 40 DFAB COC(=O)C1(NC(=O)Nc2cccc(C(F)(F)F)c2C)CC1 97107500 NYOIMOVFYVBLBE-UHFFFAOYSA-N 316.279 2.841 0 40 DFAB COCCCNC(=O)c1cc2cc(Br)ccc2o1 28575978 VOWPKGARBRKKAG-UHFFFAOYSA-N 312.163 2.962 0 40 DFAB NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 12050058 OJVQLPGCQDDYNF-IBGZPJMESA-N 318.376 2.725 0 40 DFAB Cc1ccccc1OCCN(C)S(=O)(=O)c1cccs1 72099865 FWRMJVHRMWXIJZ-UHFFFAOYSA-N 311.428 2.756 0 40 DFAB CN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 72002750 BELZGGPNWOBQOZ-KRWDZBQOSA-N 317.433 2.695 0 40 DFAB CCCc1cc(Oc2ccc3ccc(=O)oc3c2)n2ncnc2n1 64904613 PCEJWGGLACKSLH-UHFFFAOYSA-N 322.324 2.976 0 40 DFAB CS[C@@H]1c2c(cc(=O)[nH]c2-c2ccc(C)cc2)C(=O)N1C 62716497 SETLCKSLYXVBDH-MRXNPFEDSA-N 300.383 2.798 0 40 DFAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 5226981 IAXMPCXWCRHFMZ-ZDUSSCGKSA-N 309.369 2.699 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1cnoc1C)c1ccsc1 65401441 FYCVWGTVYSAAGU-AWEZNQCLSA-N 307.419 2.857 0 40 DFAB Nc1c(C(=O)OCc2nnsc2Cl)ccc2cccnc12 65607135 CGIFONYUDMDMEE-UHFFFAOYSA-N 320.761 2.679 0 40 DFAB COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/O)oc12 4551714 PIZDXCGQELEWPW-ZPHPHTNESA-N 310.309 2.984 0 40 DFAB CNC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccncc2)cc1F 93898734 SBDVVJGPOCXUCB-ZDUSSCGKSA-N 315.392 2.702 0 40 DFAB CCN1CCC[C@H]1Cn1cnc2c([nH]c3ccc(F)cc32)c1=O 4860654 XAQCWAFWYWKYBB-LBPRGKRZSA-N 314.364 2.501 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15197042 MYASUKLASWFWFP-NSHDSACASA-N 321.373 2.720 0 40 DFAB CCc1[nH]c(C(=O)NCc2ccc(F)cc2)c(C)c1C(=O)OC 9457593 YBZJEYAJZVCLSM-UHFFFAOYSA-N 318.348 2.741 0 40 DFAB CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)n[nH]1 9455005 LIICEMWPDGQCIC-UHFFFAOYSA-N 309.329 2.518 0 40 DFAB O=S(=O)(Nc1cn[nH]c1)c1ccc(OC2CCCC2)cc1 90230711 USZGSBYXWBHBHH-UHFFFAOYSA-N 307.375 2.532 0 40 DFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1F 96402722 XKFBSBHQGAEJNV-CQSZACIVSA-N 317.291 2.617 0 40 DFAB CSc1ncccc1C(=O)O[C@H](C)C(=O)NC1CCCCC1 7657616 VUMVXYWNDRJXOA-LLVKDONJSA-N 322.430 2.798 0 40 DFAB C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCO2 90803235 JQMDPBUDSOXHTB-DZGCQCFKSA-N 311.385 2.740 0 40 DFAB Cc1nn(C)c(C)c1CCOC(=O)c1cccc2ncccc12 97034352 FCLRJLIURUTCFM-UHFFFAOYSA-N 309.369 2.985 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2ccncc2)n1 70004451 KMPDFBHOCIAAAC-QGZVFWFLSA-N 312.417 2.519 0 40 DFAB C[C@H](c1nnc(-c2cccs2)o1)N1CC(n2cccn2)C1 69489270 OTEWKAWPWBHBJV-SNVBAGLBSA-N 301.375 2.613 0 40 DFAB Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1Cn1cccn1 71865127 XBHAMXHKSWLUOC-CYBMUJFWSA-N 306.797 2.570 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1OC 71818742 XVYOMXXURYFQKC-HNNXBMFYSA-N 314.385 2.938 0 40 DFAB Cc1ccc2oc(C(=O)NC3(C(=O)O)CCCCC3)cc2n1 71803743 PVVDQBSIFMGFED-UHFFFAOYSA-N 302.330 2.654 0 40 DFAB COCc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)cs1 69653783 SZORKMVJFPPNIB-UHFFFAOYSA-N 317.292 2.956 0 40 DFAB O=C(NCc1ccco1)c1[nH]nnc1Nc1cccc(Cl)c1 23125466 OKMMNXPQBANFFC-UHFFFAOYSA-N 317.736 2.725 0 40 DFAB CC(C)CNC(=O)[C@H](C)[S@@](=O)Cc1csc(C(C)C)n1 69897147 FPIQUPCVQJTHAI-PRWKNARSSA-N 316.492 2.676 0 40 DFAB CCn1cnnc1CN[C@H](C)c1cc2cccc(OC)c2o1 97034436 QRGYKJWOCAYELZ-LLVKDONJSA-N 300.362 2.904 0 40 DFAB CCC[C@H](C)C(=O)N[C@@H](c1ccccc1)c1nnc(C)n1C 95396360 DTBIYHTZAIJMJY-WFASDCNBSA-N 300.406 2.765 0 40 DFAB C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ccccc2)C1=O 95419343 SDOPWBWIDPLCQU-INIZCTEOSA-N 315.760 2.702 0 40 DFAB C[C@H](CNC(=O)COc1ccccc1O)c1ccc(F)cc1F 95430613 UJJCUGWSXRRMJE-LLVKDONJSA-N 321.323 2.969 0 40 DFAB Cc1ccccc1OC[C@H](O)CN[C@H](C)c1c(C)noc1C 95405650 ANKNRSFXYIGWBI-IUODEOHRSA-N 304.390 2.690 0 40 DFAB C[C@H](NCCc1nnc2n1CCC2)c1cccc(OC(F)F)c1 95419907 HWKINAUKQTUZCU-NSHDSACASA-N 322.359 2.719 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CC[S@@](=O)C(C)(C)C3)cc2c1C 88293733 IXQVAZVFKMCZHR-QFIPXVFZSA-N 318.442 2.768 0 40 DFAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCc2ccccc21 74045546 BVCPOGUVKUVUNB-MRXNPFEDSA-N 319.368 2.925 0 40 DFAB O=C(Nc1ccccc1CN1CCNC1=O)c1ccsc1 95993551 PYKQHZTZFVAFCR-UHFFFAOYSA-N 301.371 2.526 0 40 DFAB COc1cccc([C@@H](O)CNC(=O)c2c(F)cccc2Cl)c1 74559232 FLBXJTWHPDXSLD-AWEZNQCLSA-N 323.751 2.951 0 40 DFAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccn1 74825445 DPIRPYHIJPHQDJ-NSHDSACASA-N 310.806 2.916 0 40 DFAB CC(C)NC(=O)N(Cc1ccccc1F)C1CCN(C)CC1 75104833 SHNOFBBQQNHQRA-UHFFFAOYSA-N 307.413 2.840 0 40 DFAB Brc1cnc(N2CCCC[C@H]2c2cn[nH]c2)nc1 89764500 VTXXXPUBIROUKJ-NSHDSACASA-N 308.183 2.694 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 76041533 ILXMVDKHINHVHJ-CVEARBPZSA-N 324.380 2.615 0 40 DFAB CC(C)c1ccsc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76052793 JPSRUAVYDMAXQE-HIFRSBDPSA-N 322.474 2.664 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C(C)=O)cs2)cc1F 25256478 SFWHOUSDJQCYKF-UHFFFAOYSA-N 308.334 2.675 0 40 DFAB Cc1cn(C)nc1C(=O)Nc1nnc(-c2ccccc2Cl)o1 36701858 CZPIOOYNJKCJPP-UHFFFAOYSA-N 317.736 2.684 0 40 DFAB CSCc1cccc(CNC(=O)N2CCC(C)(O)CC2)c1 187409348 YGQOXFRTIDRIQL-UHFFFAOYSA-N 308.447 2.606 0 40 DFAB Cc1csc(C2(NC(=O)COCC(F)(F)F)CCCC2)n1 79033840 FIAWFTUNAQTWIK-UHFFFAOYSA-N 322.352 2.916 0 40 DFAB COc1ccccc1NCC(=O)N1CCOc2ccccc2C1 79044145 DCPGKDXCZOSDDE-UHFFFAOYSA-N 312.369 2.528 0 40 DFAB Cc1ccc(CN(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76940116 RHCMLJBABMOFJP-CYBMUJFWSA-N 322.405 2.803 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1CCCNCC1 566099819 ZLOLDQWAELUUHU-HNNXBMFYSA-N 313.401 2.864 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@@H](c2ccnn2C)C1 72270558 FGVCXFZAGBJNLM-CYBMUJFWSA-N 303.381 2.947 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 78987728 QEOQBLWSBBZALB-CHWSQXEVSA-N 314.495 2.671 0 40 DFAB Cc1ccc(C2=NO[C@H]3CN(Cc4ccncc4C)C[C@H]23)cc1 72343275 VKNIUXSAIYILOP-ROUUACIJSA-N 307.397 2.933 0 40 DFAB C[C@@H](N)[C@H]1CCN(c2cncc(SCc3ccccc3)n2)C1 562833621 VAAZJEAPUOBWJX-HIFRSBDPSA-N 314.458 2.942 0 40 DFAB CN(C(=O)c1cn2c3c(cccc3c1=O)CC2)c1ccccc1 225860988 JOSUDBVSRHOYLI-UHFFFAOYSA-N 304.349 2.834 0 40 DFAB COC[C@H](C)N[C@H](c1ccc(Cl)c(F)c1)c1noc(C)n1 195566407 DMAJMAKBKSOHLH-ISVAXAHUSA-N 313.760 2.884 0 40 DFAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC2)cc1 223248704 YQDBLVPAICQPMY-WJDWOHSUSA-N 310.353 2.638 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](C)Cn1nc(C)cc1C 195531296 YLUAOELFMLFMON-KCPJHIHWSA-N 324.494 2.719 0 40 DFAB CC[C@H](COC)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 96415869 ASUMIKCWQWXJKE-CYBMUJFWSA-N 309.385 2.972 0 40 DFAB C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnc2ccsc2c1 532331397 OLTHBCCDWVVPTH-IINYFYTJSA-N 301.415 2.509 0 40 DFAB C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-n2ccnc2)cc1 96501559 YHVQJJOHDUCDOK-LBPRGKRZSA-N 309.373 2.984 0 40 DFAB C[C@H](CNC1CCOCC1)Oc1ccccc1Br 96452779 HGTXQFJHYAPFNW-LLVKDONJSA-N 314.223 2.985 0 40 DFAB COC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 93155833 IZIWKFLVSVFMLJ-VHSXEESVSA-N 318.826 2.519 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC2(CCCC2)C1 96446837 NUFOCDAOSICAHW-UHFFFAOYSA-N 317.433 2.782 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)NC[C@@H]1CCOc2ccccc21 96500146 MNGAEEOHCPYUEL-GJZGRUSLSA-N 318.417 2.811 0 40 DFAB C[C@@H](CCN1CCCC1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 97228818 XNGQTXSFNRSWTA-JKSUJKDBSA-N 323.481 2.652 0 40 DFAB O=C(Nc1ccnc2ccnn12)c1cccn1Cc1ccccc1 96411703 HBLUSTIKHJKUMX-UHFFFAOYSA-N 317.352 2.831 0 40 DFAB c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)c1 96042153 PJINYCBRERJVHR-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1C 96420091 ZPHBBMDPKPRXLO-LLVKDONJSA-N 302.827 2.884 0 40 DFAB O=C(CNCC(F)(F)F)N[C@@H](c1cc(F)ccc1F)C1CC1 96432679 ULQCQMIQENRIHQ-CYBMUJFWSA-N 322.277 2.684 0 40 DFAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2O 253595851 JVEWXTLFKFWQPU-LKSQCLDKSA-N 306.446 2.930 0 40 DFAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2ccn[nH]2)C1 257284695 PDVXVZGDNLCTSM-AWEZNQCLSA-N 306.369 2.978 0 40 DFAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 257312302 UNHWCRFTFFQCOZ-HNNXBMFYSA-N 317.414 2.649 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)n1 257255422 KHKVPCDTKJLSRX-CYBMUJFWSA-N 323.352 2.802 0 40 DFAB CC(=O)N1CCC[C@@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 257279356 OGFUCGXVUVVROI-CYBMUJFWSA-N 317.389 2.543 0 40 DFAB c1cnc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)cn1 257223908 DZKRZEGADVLAQA-INIZCTEOSA-N 322.412 2.649 0 40 DFAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cscn3)C2)cn1 257205110 AXSDCFZUYNEGJJ-CQSZACIVSA-N 301.415 2.941 0 40 DFAB CCC1CCC(NC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 283926215 JFPFESYNMUJQME-HLIUYOAVSA-N 302.418 2.949 0 40 DFAB C1CCC(N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)C1 585105299 SNSWBGVHTGZJDK-MRXNPFEDSA-N 311.491 2.932 0 40 DFAB CC[C@H](C)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104201 KRYIFUKAZSPNJF-LPHOPBHVSA-N 316.445 2.536 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C=C(C)C)cc1 68113045 GYDNJIORJSKVNA-AWEZNQCLSA-N 320.414 2.501 0 40 DFAB CCCOc1cccc(C(=O)NCc2cccnc2N(C)C)c1 48355448 OQTLTFBNXFFEMD-UHFFFAOYSA-N 313.401 2.866 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)CCNc1ncccn1 56202510 BNAMJHMUNBQUMV-CYBMUJFWSA-N 316.430 2.876 0 40 DFAB Cc1nnc(NC(=O)c2ccn(-c3ccccc3Cl)n2)s1 50288519 MDJJEAWWBSDIDO-UHFFFAOYSA-N 319.777 2.938 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)c1ccco1)CC2 56461681 WLGXPXQUGVRWSS-UHFFFAOYSA-N 301.342 2.538 0 40 DFAB COC(=O)[C@@H](C)[C@H](NC(=O)c1cc[nH]c1C)c1ccccc1 86232162 WDUMHVPGMNTDMN-NHYWBVRUSA-N 300.358 2.603 0 40 DFAB O=C1C[C@H](c2nc([C@H]3CCOC3)no2)CN1C1CCCCCC1 84544044 IQABJSMEUPCHLQ-STQMWFEESA-N 319.405 2.612 0 40 DFAB C[C@@H]1C(=O)N(Cc2csc(Br)c2)C(=O)[C@H]1C 96455508 DATLVYLGAURSPL-BQBZGAKWSA-N 302.193 2.652 0 40 DFAB CCn1c(SCc2ccc(C)cc2)nc2c(=O)[nH]cnc21 12413724 ZCGKFTXIWLYBHQ-UHFFFAOYSA-N 300.387 2.740 0 40 DFAB biogenic,in-vitro COc1cc(OC)cc(OCC(=O)NCc2ccc(C)cc2)c1 14734677 ZJKLLCWZVMCSHB-UHFFFAOYSA-N 315.369 2.707 0 40 DFAB C[C@@H](c1cccc(Cl)c1)S(=O)(=O)C[C@@H](O)C(F)(F)F 158702071 NYPCETZTZIPPHB-OIBJUYFYSA-N 316.728 2.739 0 40 DFAB Fc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1 7944 UBXGZTRRRHVEAJ-UHFFFAOYSA-N 310.376 2.633 0 40 DFAB in-vitro CCOc1ccc(C(C)C)cc1S(=O)(=O)n1cnc(C)c1 7425119 PKMWAFPYNJUXNL-UHFFFAOYSA-N 308.403 2.951 0 40 DFAB CC[C@H](C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 212680 GJUCOUNIDHEXQJ-QMMMGPOBSA-N 304.268 2.772 0 40 DFAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(CO)cc1 3520588 AWTDSQSTPXEKNA-UHFFFAOYSA-N 310.758 2.934 0 40 DFAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCCC1 5396801 XHXORWCBHBUYSO-UHFFFAOYSA-N 314.385 2.656 0 40 DFAB Fc1cccc(Cl)c1CN1CCN(c2ccncn2)CC1 1203408594 BIVNYWKDGRRGHE-UHFFFAOYSA-N 306.772 2.591 0 40 DFAB COc1ccc2cc(CCNC(=O)c3ccccc3)c(=O)[nH]c2c1 427778 AOXDHPQYAMMOKE-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB COc1cc(Cn2cnc(-c3ccccc3)cc2=O)cc(OC)c1 22604803 NHPNPGRWUFENKK-UHFFFAOYSA-N 322.364 2.976 0 40 DFAB CCOc1ccccc1NC(=O)NC[C@@](C)(O)Cc1ccco1 206623230 PJLYUUVXLZSLCZ-KRWDZBQOSA-N 318.373 2.794 0 40 DFAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1 5277377 FXULHVBWXADQIT-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB CCN(CC)[C@H](Cc1ccc(Br)cc1)C(=O)O 107843850 ZQMNLDYXCOMSEY-GFCCVEGCSA-N 300.196 2.787 0 40 DFAB COc1ccc(C(=O)NCCCn2cccn2)c2ccccc12 30169883 KFIOSCHTIUHZHY-UHFFFAOYSA-N 309.369 2.865 0 40 DFAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccnc1 31217105 YHZRDQPZBNVHQX-NSHDSACASA-N 302.378 2.572 0 40 DFAB Cc1cc(C)c2c(n1)sc1c(N3CCN(C)CC3)ncnc12 159160 JMYTXWSBHSDZNI-UHFFFAOYSA-N 313.430 2.608 0 40 DFAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21 101359387 VYXBHRQTPIDEGY-VDERGJSUSA-N 323.348 2.643 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21 101498007 CLWACYNFCVCDFM-IUODEOHRSA-N 316.401 2.624 0 40 DFAB O=C1[C@H]2C(/C=C/c3ccccc3)=NO[C@H]2C(=O)N1c1ccccc1 101510066 XNLMCXIBUGXMOR-PUENXVRKSA-N 318.332 2.644 0 40 DFAB CNc1ncnc2c1c(C)nn2-c1ccc(Br)cc1 41474574 BDDDFJXIKBYEHY-UHFFFAOYSA-N 318.178 2.928 0 40 DFAB O=C(c1cnccn1)N1CCCc2cc(OC(F)(F)F)ccc21 41866800 LANUENNGNACPFF-UHFFFAOYSA-N 323.274 2.968 0 40 DFAB CCCCOc1ccc(C(=O)SCCCNC(=N)N)cc1 1579131 BQXURLZCMCCPJJ-UHFFFAOYSA-N 309.435 2.612 0 40 DFAB COc1ccc(C(=O)c2ccc(OC)c(OC)c2OC)cc1 1678824 XOAIHPXZWMXWPP-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 22685137 ZMYHCLFAROKGLG-SQWLQELKSA-N 302.418 2.890 0 40 DFAB COc1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)cc1OC 4853785 ZJUOQBHVNMIICY-QGZVFWFLSA-N 312.369 2.924 0 40 DFAB COC(=O)c1c(CP(=O)(OC)OC)oc2c1CCCC2 6379839 RPUYGZSUXTVTFW-UHFFFAOYSA-N 302.263 2.931 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(C)C 7495414 SWIJWDZQGONRHM-UHFFFAOYSA-N 320.414 2.692 0 40 DFAB O=C(NCCc1ccc(O)cc1)c1cncn1-c1ccccc1 54117346 AJIJFIIIOVDKNR-UHFFFAOYSA-N 307.353 2.550 0 40 DFAB COc1ccc(CN[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 57369794 UKGWOTUGJAHANM-CKEIUWERSA-N 304.434 2.868 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635484 OGDIXAHVHSKMKS-LBTBCDHLSA-N 308.466 2.558 0 40 DFAB COCCC(=O)NCCCc1ccc(Br)cc1F 71909352 NOVLHHWPDNIZGV-UHFFFAOYSA-N 318.186 2.674 0 40 DFAB COC(=O)Nc1cn(Cc2ccccn2)c(=O)c2ccccc12 1395615 UKBCMAOTKSAEQZ-UHFFFAOYSA-N 309.325 2.623 0 40 DFAB CCc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 3248326 OGQORMUFAIYNSG-UHFFFAOYSA-N 303.383 2.784 0 40 DFAB Cc1cc2nc([C@H]3CCN(Cc4ccccc4)C3)cc(O)n2n1 100145475 ARPGUVAGINPPOT-HNNXBMFYSA-N 308.385 2.733 0 40 DFAB CCc1cc2c(N[C@@H](C(N)=O)c3ccccc3)ncnc2s1 43536224 MRUGDCOFMWZYDI-CYBMUJFWSA-N 312.398 2.892 0 40 DFAB Cc1ccc(O)c(S(=O)(=O)Nc2c(C)nn(C(C)C)c2C)c1 57119265 APYOYYCKFHLJSU-UHFFFAOYSA-N 323.418 2.896 0 40 DFAB Cc1ccc2cc(-c3noc(CCCC(=O)O)n3)c(O)nc2c1 22119589 BMFWFYIHDQVRTF-UHFFFAOYSA-N 313.313 2.706 0 40 DFAB COc1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100607275 TZIABEVQBVEVRW-RYUDHWBXSA-N 320.776 2.582 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C 26981749 VRLQJLOCQQOSSD-DZKIICNBSA-N 318.417 2.996 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(Cl)ccn2)n1 57709813 SANHQZTZGMQNCM-JTQLQIEISA-N 306.797 2.614 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccco1)c1ccccc1 27415263 YLDWDQHAUBCQFC-FVNWOWOISA-N 307.353 2.932 0 40 DFAB COc1cc(C)c(NC(=O)c2c(C)nn(C)c2C)cc1OC 58267433 DXPSQVWQFSPIBM-UHFFFAOYSA-N 303.362 2.615 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)n(C)n1 58213419 ZFUKFIGIOSUPOX-SNVBAGLBSA-N 322.206 2.982 0 40 DFAB Cc1ncc(CN(C)C[C@H](O)COCc2cccs2)s1 44974898 AEJYFPRMRAURJG-LBPRGKRZSA-N 312.460 2.523 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)[C@H](C)SCc1ccccc1 48356327 ILJMQGPMGSNANQ-KBPBESRZSA-N 303.431 2.710 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)c1cc(-c2ccccc2)on1 48374694 KYPYSJAGKWDFKD-UHFFFAOYSA-N 311.385 2.698 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2ccc(-n3ccnc3C)cc2)n1 28245615 ZGDIPQUVSLIXKT-UHFFFAOYSA-N 309.373 2.633 0 40 DFAB O=C(Oc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(C2CCCC2)C1 58996048 BTKPAYNRVKZPPM-OAHLLOKOSA-N 313.397 2.872 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccoc1)c1ccccc1Cl 8707553 RURKWISBKCVFNJ-ZDUSSCGKSA-N 307.733 2.967 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 13123895 FKHABTCSCRGVTR-CQSZACIVSA-N 320.352 2.808 0 40 DFAB aggregator COc1cc(C=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 3886234 USQRXJNEDRBRPG-STQMWFEESA-N 305.374 2.676 0 40 DFAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 4150757 GNYNHSAEVPAYHT-CQSZACIVSA-N 317.389 2.729 0 40 DFAB Cc1ccc(OCc2occc2C(=O)N2CCOCC2)cc1 5032792 CTPPXMSCEHHOIM-UHFFFAOYSA-N 301.342 2.639 0 40 DFAB O=c1cc(-c2ccccc2)c2ccc(OCc3nn[nH]n3)cc2o1 6230899 BVOHOOHHEHYPFQ-UHFFFAOYSA-N 320.308 2.552 0 40 DFAB biogenic Cc1nc(C(=O)NC[C@@]2(c3ccc(F)cc3)CCOC2)cs1 65406612 PCPJDVRIOLSPMT-INIZCTEOSA-N 320.389 2.679 0 40 DFAB CSCc1nnc(SCc2c(C)nn(C)c2Cl)o1 65530377 SDRABAJRMBKWGJ-UHFFFAOYSA-N 304.828 2.920 0 40 DFAB C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)C1 14171257 WPPDCZVDKUDELK-LBPRGKRZSA-N 308.809 2.718 0 40 DFAB Cn1ccnc1SCC(=O)Nc1cccc(N2CCCC2)c1 65872760 BQUYGWPVSMBTKP-UHFFFAOYSA-N 316.430 2.751 0 40 DFAB CNC(=O)CSCCCc1ccccc1Br 96009506 JWJUOCNJPKUROL-UHFFFAOYSA-N 302.237 2.861 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)c1 90224915 KNDXMHVCQRMSDX-BZNIZROVSA-N 313.405 2.731 0 40 DFAB COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1C 20025555 NBLKWNPZFSFLEM-UHFFFAOYSA-N 315.369 2.951 0 40 DFAB COc1ccnc(NC[C@H](O)c2ccccc2C(F)(F)F)n1 68998354 ITYDSOHUGOGDOK-NSHDSACASA-N 313.279 2.650 0 40 DFAB COC(=O)c1cncc(C(=O)Nc2ccc(-c3ncco3)cc2)c1 91250104 CDHRSWKASRFIFJ-UHFFFAOYSA-N 323.308 2.776 0 40 DFAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCn1ccnc1C 69453296 ACPBMMXIVSXABQ-OAHLLOKOSA-N 315.417 2.864 0 40 DFAB CCN(CC)[C@H](C)CNC(=O)c1ncoc1-c1cccs1 69586860 CNVNOFBWEXBTTK-LLVKDONJSA-N 307.419 2.863 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 17325314 DFBURWBAUIWPGB-GHMZBOCLSA-N 313.829 2.750 0 40 DFAB Cc1c([C@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)cnn1C 91967715 XGZHGLYQQSHYKA-QGZVFWFLSA-N 322.416 2.851 0 40 DFAB O=C1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)N1 69819410 UEZJDPODXHNROC-GDBMZVCRSA-N 320.820 2.966 0 40 DFAB CCOCC(=O)N(C1CC1)[C@H](C)c1ccc2c(c1)OCCCO2 72274692 TZYJASCZBHZXPZ-CYBMUJFWSA-N 319.401 2.936 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)N1CCC[C@H](CO)C1)C(F)(F)F 97136423 FZEYZPVFQWKAOU-WDEREUQCSA-N 310.360 2.767 0 40 DFAB Cc1cc(Br)c(NC(=O)NCCCO)cc1Cl 97143629 VYBMDGBOXSMCGO-UHFFFAOYSA-N 321.602 2.915 0 40 DFAB O=c1ccccn1Cc1ccc(I)cc1 84606404 JCSLXVMLVRWUCU-UHFFFAOYSA-N 311.122 2.501 0 40 DFAB CC[C@H](c1ccc(F)cc1)N1CCC([C@@H](O)C(=O)OC)CC1 95432428 AOIJHWQFLWFUEH-HZPDHXFCSA-N 309.381 2.523 0 40 DFAB CC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 95996522 ILSYYXHPZCCQLL-GUYCJALGSA-N 322.424 2.707 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C(=O)O)C(C)C 95960572 NTRXKNQDLDQCEI-KRWDZBQOSA-N 314.385 2.620 0 40 DFAB O=C(N[C@H]1COc2ccccc2C1=O)c1cccc2[nH]ccc12 95986926 UXDODRRNIPQMST-HNNXBMFYSA-N 306.321 2.542 0 40 DFAB Cc1c(COC(C)C)cccc1NC(=O)N1CC(N(C)C)C1 95939137 PVEZOHQDFQZFKY-UHFFFAOYSA-N 305.422 2.698 0 40 DFAB O=C(CCc1cscn1)Nc1cncc(Br)c1 95975560 IIXXMLNUBFLKQZ-UHFFFAOYSA-N 312.192 2.872 0 40 DFAB Cc1cc(C(=O)NCC2(O)CCC2)c(C)cc1Br 95982640 XDUQNIKYRWYBBQ-UHFFFAOYSA-N 312.207 2.711 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C2CCOCC2)cc1 74521185 XHQKTTMZQMAGOS-SJORKVTESA-N 303.402 2.758 0 40 DFAB CC[C@H](NC(=O)c1ccc(C)[nH]c1=O)c1ccc(OC)cc1 75118906 PBVJXHNAOPBHHZ-HNNXBMFYSA-N 300.358 2.573 0 40 DFAB CCOc1cccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75125975 IIGHIMMOCSEYRN-LBPRGKRZSA-N 300.358 2.573 0 40 DFAB CSCC[C@H](C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 89895647 KTLWLZXDDBWWCX-STQMWFEESA-N 300.468 2.919 0 40 DFAB O=C(C[C@H]1CCCO1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 76018847 YMLIJNYUACGZEK-ZIAGYGMSSA-N 322.380 2.924 0 40 DFAB CCO[C@@H](C)c1ncc(C(=O)NC(C)(C)c2ncc(C)[nH]2)s1 517161109 OELITRQZMJIHDA-JTQLQIEISA-N 322.434 2.937 0 40 DFAB COCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 79040137 OGXFEAVBGKQZDQ-VHSXEESVSA-N 303.761 2.788 0 40 DFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC[C@H](C)C3)ccc21 36741178 LYFPXGQILICRLL-LIRRHRJNSA-N 316.445 2.751 0 40 DFAB CCCCNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330044 CPYPADCURGVVFV-UHFFFAOYSA-N 303.280 2.779 0 40 DFAB O=C(NCc1ccc(C(=O)O)cc1)Nc1nc2c(s1)CCC2 315348577 PDAIDPVXOMMALE-UHFFFAOYSA-N 317.370 2.652 0 40 DFAB C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]12 123365796 REVXZRCVOUBLKK-LBGUNTTGSA-N 306.446 2.930 0 40 DFAB C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)n1cncn1 79040492 KVWGHGJHCFSPOK-DJIMGWMZSA-N 312.417 2.757 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 72242250 QOXKXSVNMHEYSA-ISTRZQFTSA-N 318.392 2.604 0 40 DFAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccon1 227159227 PSNKMXAVIVQUER-UHFFFAOYSA-N 312.329 2.656 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cn1 191207806 VAEOJFLLRIYBSZ-LLVKDONJSA-N 305.328 2.718 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCc1ccccc1 222424076 MFRBGFQLDDSTEI-YVSFHVDLSA-N 313.397 2.648 0 40 DFAB O=C(C1CC1)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1 49170847 ZSFVOAJHLKDHGO-NSHDSACASA-N 301.321 2.602 0 40 DFAB biogenic,in-vitro CCOc1ccc([C@@H](COC)NC(=O)N[C@H]2CCSC2)cc1 225459181 NOQVBXFWAVGNGZ-DZGCQCFKSA-N 324.446 2.578 0 40 DFAB O=C(Nc1nccs1)c1ccc(O[C@H]2CCSC2)nc1 225714543 NJDPRVVWAICCPT-JTQLQIEISA-N 307.400 2.675 0 40 DFAB O=C(CCc1ccccc1)N[C@H]1CCCN(c2ccccn2)C1 130614577 KXSIMMNLPKBCNE-KRWDZBQOSA-N 309.413 2.799 0 40 DFAB CC(C)(C)[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(N)=O 195573553 OHUWUKAXCHOUKZ-CQSZACIVSA-N 320.824 2.515 0 40 DFAB CCOCCOc1ccc(NC(=O)C(C)(C)OCC)c(C)n1 225892399 UMDRBUJQBSIGCR-UHFFFAOYSA-N 310.394 2.559 0 40 DFAB Cc1noc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2c2ccccc2)n1 225806938 JEWTXBXFURSSQQ-LSDHHAIUSA-N 323.352 2.994 0 40 DFAB O=C(CSCCCF)Nc1ccccc1N1CCCC1=O 193692264 CXVAHSKGFHKUSX-UHFFFAOYSA-N 310.394 2.845 0 40 DFAB Cc1cscc1C(=O)NCCCCN1C[C@H](C)O[C@H](C)C1 96461215 XCTMLMCFAYOMAL-OKILXGFUSA-N 310.463 2.676 0 40 DFAB O=Cc1c(-c2ccc(F)cc2)nn2ccnc(N3CCCC3)c12 96530806 BKBQJOYDCQTAPC-UHFFFAOYSA-N 310.332 2.948 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)no1 96181203 OYAGHTWZJUQDAW-UHFFFAOYSA-N 315.373 2.887 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CC1(Cl)Cl 96431665 HCMJGABDRWYLNH-UWVGGRQHSA-N 318.200 2.773 0 40 DFAB CC(C)c1nn(C)c(Cl)c1C(=O)NCCc1cccc(O)c1 96436258 XJABMIJKUFIBGQ-UHFFFAOYSA-N 321.808 2.875 0 40 DFAB Fc1cccnc1O[C@H]1CSC2(C1)CN(Cc1ccoc1)C2 247557315 XRQWTUWHAMKPMM-CYBMUJFWSA-N 320.389 2.953 0 40 DFAB Cn1ccnc1-c1cnc(C2CCN(c3ccccn3)CC2)cn1 257243015 IFEIVPOPWKFFOA-UHFFFAOYSA-N 320.400 2.656 0 40 DFAB O=C(Cn1cc(Cl)cn1)N1CCC[C@@H]1CCc1ccncc1 257330378 XOCRUWVIBOPYNW-OAHLLOKOSA-N 318.808 2.555 0 40 DFAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)no1 257207500 BIAGXMRKCBDHHM-OAHLLOKOSA-N 308.341 2.577 0 40 DFAB CN1C(=O)C[C@H](CN[C@H]2CCCSC2)[C@H]1c1ccccc1 253370330 PMRHBXIMWCRCJV-HLLBOEOZSA-N 304.459 2.691 0 40 DFAB CCN(C(=O)c1ccccc1)[C@@H]1CCOC2(CCN(C)CC2)C1 257277329 NXNCUSXIPNESJG-QGZVFWFLSA-N 316.445 2.792 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2cc(-c3ncc[nH]3)nc(C)n2)ncn1 257207122 BGLJJWRSYFHXFZ-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB CCC(=O)N1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 257246393 ITYKWQJGTRAFMF-NSHDSACASA-N 317.418 2.711 0 40 DFAB c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4ccsc4)C[C@@H]32)c1 257321519 WBZWDJMFFJBHIU-QLFBSQMISA-N 300.431 2.861 0 40 DFAB Cc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cn1 585269125 KHYJDGHIFYSHSY-LJQANCHMSA-N 312.413 2.796 0 40 DFAB Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)N2CCCC2)c(C)c1 67225784 GROUEVONWDTLMI-OAHLLOKOSA-N 323.458 2.538 0 40 DFAB COc1c(C)cnc(CNC(=O)COC2CCCCC2)c1C 50448034 NTWAICMXQMAQGZ-UHFFFAOYSA-N 306.406 2.673 0 40 DFAB CC(C)NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 83991803 MBCHGQDNZRYYMI-HNNXBMFYSA-N 302.374 2.933 0 40 DFAB O=C(NC[C@H]1CC=CCC1)C(=O)Nc1cc(F)c(F)cc1F 78554217 UDFRUXCTPWCUFB-VIFPVBQESA-N 312.291 2.515 0 40 DFAB O=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 84613381 QKGMGSLEMRODHO-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB O=C(CSc1ccc(F)cc1)N1CC(Oc2ccncc2)C1 589987453 FXBATFVEERIDDY-UHFFFAOYSA-N 318.373 2.603 0 40 DFAB c1ccc(Cn2cc(CNCc3cn4ccsc4n3)cn2)cc1 97160108 APVXRDJTCKALPW-UHFFFAOYSA-N 323.425 2.930 0 40 DFAB O=C(CSc1nc(-c2cccnc2)n[nH]1)OC1CCCCC1 11126691 PSDUMCZCMISUCA-UHFFFAOYSA-N 318.402 2.835 0 40 DFAB CCn1cc(CNS(=O)(=O)c2ccc3ccccc3c2)cn1 14249527 QHIVJSHQQFBACE-UHFFFAOYSA-N 315.398 2.535 0 40 DFAB Cc1ccc2c(CN3CCCC[C@@H]3CCO)cc(=O)oc2c1 5157014 CWNHBBAHVWKHSF-OAHLLOKOSA-N 301.386 2.838 0 40 DFAB biogenic Cc1cccc(-n2c(C)nnc2SCC(=O)NC(C)(C)C)c1 5357905 KEXVTZLSMAFBPE-UHFFFAOYSA-N 318.446 2.891 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)CC3CCCC3)C2)nc1 1889117808 DYKSNJWQRHARAS-INIZCTEOSA-N 316.449 2.793 0 40 DFAB Clc1cnccc1OCC1CCN(C[C@@H]2CCOC2)CC1 1848728674 KPWOZSWKJVIDKT-AWEZNQCLSA-N 310.825 2.862 0 40 DFAB Cn1cnc(CN2CCC(c3cc(C(F)(F)F)n[nH]3)CC2)c1 2037976880 ASFSATFYQJPCEL-UHFFFAOYSA-N 313.327 2.542 0 40 DFAB Cc1nc(CN2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)cs1 2086934266 LSOACMOLBGGQKZ-CHWSQXEVSA-N 318.421 2.554 0 40 DFAB Cc1cc(C(=O)NCC2CCN(Cc3ccsc3)CC2)no1 43971500 MSSXJXFPCOYUCE-UHFFFAOYSA-N 319.430 2.687 0 40 DFAB CC[C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 40081486 CSAUOPZEKPEJGV-SJLPKXTDSA-N 317.477 2.528 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCCc2ccc3c(c2)OCO3)o1 40120824 GQWOJGVCUPSPGV-LBPRGKRZSA-N 316.357 2.920 0 40 DFAB COc1cc(OC)cc(-c2nnc3sc(C4CC4)nn23)c1 40283114 IVLYQJUFNLNCHI-UHFFFAOYSA-N 302.359 2.747 0 40 DFAB CCN(CCCNc1cn[nH]c(=O)c1Cl)c1ccccc1 40468603 LKRJSAMVBPWDBE-UHFFFAOYSA-N 306.797 2.752 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1Cl 40478880 KBIWIBLJQBKEAX-UHFFFAOYSA-N 314.746 2.914 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(C)oc(C)c2C)no1 31691059 WHERDZDMNONYLR-LLVKDONJSA-N 306.318 2.685 0 40 DFAB Cc1ccc(CN(C)C(=O)c2cccc(N3CCOC3=O)c2)o1 40543739 FKYZDNJFYZDBHO-UHFFFAOYSA-N 314.341 2.817 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1cc(Br)c[nH]1 21292981 ZJEOSLSPVIIEBD-UHFFFAOYSA-N 313.180 2.758 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)NC2CCCC2)c1 32929597 WNLRSSNSDYTPPM-CQSZACIVSA-N 323.458 2.666 0 40 DFAB CCN(CC)CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 522610 VUXDULRARZMFRK-UHFFFAOYSA-N 317.389 2.543 0 40 DFAB CCn1cc(Cl)c(-c2nnc(Nc3cn(C)nc3C)s2)n1 2797042 LVEQOHRTDGBGMT-UHFFFAOYSA-N 323.813 2.860 0 40 DFAB O=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1 416552 RHNOYNLSROCDNA-AWEZNQCLSA-N 300.314 2.649 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 78394519 VIROYHUBQUKFOC-BETUJISGSA-N 320.481 2.523 0 40 DFAB CC[C@H](OC(=O)c1cccs1)C(=O)NCc1ccccc1 1381150 VMLFQACHHXWCOQ-ZDUSSCGKSA-N 303.383 3.000 0 40 DFAB Cc1ncc(CN(C)CC(=O)N2CCc3sccc3C2)s1 47259266 JBVWBUAZSZZJHU-UHFFFAOYSA-N 321.471 2.530 0 40 DFAB Cc1csc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)n1 10555783 CWRLERINLHSAIT-NSHDSACASA-N 319.386 2.705 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 54663290 MFFNXJALCPIMIR-ZDUSSCGKSA-N 305.403 2.778 0 40 DFAB COc1cc([C@@H]2CC(=O)c3c(C)n[nH]c3C2)cc(OC)c1OC 8021547 PZKYPSDXSTYGPP-JTQLQIEISA-N 316.357 2.657 0 40 DFAB Cc1nnsc1C(=O)Nc1nc(-c2ccncc2)cs1 61720819 RJYLTQPLDFSDEW-UHFFFAOYSA-N 303.372 2.617 0 40 DFAB Cc1nc(Cc2nn3c(C(F)(F)Cl)nnc3s2)cs1 61717941 ZKXHMRFVVHZLCA-UHFFFAOYSA-N 321.765 2.830 0 40 DFAB CCNC(=O)CN(CC)C(=O)c1cc(F)c(Cl)cc1Cl 47830914 HAPBFCAJJLSURT-UHFFFAOYSA-N 321.179 2.731 0 40 DFAB CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2N)n1 1415846 NVGRKYWSWWRTRG-UHFFFAOYSA-N 314.370 2.755 0 40 DFAB O=C(OCCO)c1cc(-c2cccs2)nn1-c1ccccc1 25401551 SXYKTIAWCCKZPK-UHFFFAOYSA-N 314.366 2.750 0 40 DFAB CCC1=NN(C(=O)c2ccccc2F)[C@](O)(C(F)(F)F)C1 59488955 NPQIXYHUQXEJCX-GFCCVEGCSA-N 304.243 2.689 0 40 DFAB COP(=O)(NC(=O)/C=C1/N(C)c2ccccc2C1(C)C)OC 102972914 VAFFKWPNRAWEIO-JLHYYAGUSA-N 324.317 2.815 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)COc1ccc2ccccc2c1 47931599 HNRVVRBQQJAFBV-CQSZACIVSA-N 309.369 2.620 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)no1 57461168 JRDPNMQHMGUKAG-CYBMUJFWSA-N 322.796 2.813 0 40 DFAB COc1ccccc1OCCCC(=O)Nc1nnc(C)s1 1893028 BXLMVEGYALEBAW-UHFFFAOYSA-N 307.375 2.653 0 40 DFAB NC[C@H]1CCCCN1C(=O)c1cc(F)ccc1Br 44541247 SMCATDDEGTXKOF-SNVBAGLBSA-N 315.186 2.542 0 40 DFAB CC[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OCCO2 3288259 GBLMILISIMJJSM-AWEZNQCLSA-N 304.390 2.661 0 40 DFAB OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ccccc32)ncn1 72276033 IWTURUZXOPHTSX-GDBMZVCRSA-N 310.401 2.537 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1 57472241 NRKDPVNVMGFUDS-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCc2ccnc(N(C)C)c2)o1 44951225 ZETIIGVRDSTBJZ-LBPRGKRZSA-N 302.378 2.609 0 40 DFAB Cc1cc(C(=O)CCC(=O)NC[C@H]2CCCC[C@@H]2O)c(C)s1 72293721 ZSRAPHKLCJXEFZ-HIFRSBDPSA-N 323.458 2.995 0 40 DFAB CCCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 53646015 MAYGNFIMECYKBZ-GFCCVEGCSA-N 324.446 2.816 0 40 DFAB COc1ccc([C@@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 2239577 ROJZXYZUZVVEND-HNNXBMFYSA-N 307.305 2.634 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)OCc2noc(C)n2)c1 72290103 ZPTZXAOYIUESSH-UHFFFAOYSA-N 301.346 2.644 0 40 DFAB NC(=O)[C@@H](OC(=O)c1ccc(Cl)s1)c1ccc(F)cc1 11466116 PVZFRJTXSTWGJV-NSHDSACASA-N 313.737 2.924 0 40 DFAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccco1 2631370 XFEFDZALGBEPDT-UHFFFAOYSA-N 321.383 2.800 0 40 DFAB Cc1cc(C)c2c(c1)[C@]1(Nc3ccccc3C(=O)N1C)C(=O)N2 48302840 ZMWLAEACUBMRML-GOSISDBHSA-N 307.353 2.606 0 40 DFAB O=C1C[C@@H](C(=O)N2CCc3ccccc3C2)c2ccc(F)cc2N1 12939075 AHDZBDBFHFJRDM-MRXNPFEDSA-N 324.355 2.836 0 40 DFAB c1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)n1cnnc21 20059052 JTJWFRXGWUVKJW-UHFFFAOYSA-N 305.297 2.750 0 40 DFAB COC(=O)[C@@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccccc1 4053410 YYNUHKZTGQKFKO-DLBZAZTESA-N 309.365 2.795 0 40 DFAB CC1(C)CC(=O)C2(Cc3cc(N)ccc3N3CCC[C@H]32)C(=O)C1 9060422 ZRKUIWFIQYZFDY-HNNXBMFYSA-N 312.413 2.738 0 40 DFAB COc1ccc(F)cc1[C@H](C)Nc1cncc(-n2cccn2)n1 65498241 CAFJGMMQQGOAKW-NSHDSACASA-N 313.336 2.983 0 40 DFAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(F)c1 6510281 IPLZIJDGEXIKSF-UHFFFAOYSA-N 316.332 2.511 0 40 DFAB Cc1cccc2cc(CN(C)C(=O)c3ccncc3)c(=O)[nH]c12 9235161 FYHDUTGRBROHTP-UHFFFAOYSA-N 307.353 2.504 0 40 DFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccccc1 7738302 USWJXTOERNSCRN-UHFFFAOYSA-N 308.337 2.599 0 40 DFAB CC(C)C(=O)N[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 80975798 AQKYAMZHZJMQOJ-GFCCVEGCSA-N 315.339 2.841 0 40 DFAB CCSC1(CNC(=O)c2cc(C(C)C)[nH]n2)CCOCC1 96420870 FBTMBSOWOCDJKV-UHFFFAOYSA-N 311.451 2.565 0 40 DFAB CC(C)c1ccc(C[S@](=O)CC(=O)NCc2ccco2)cc1 69350747 OHXIGHKZZLNWHO-JOCHJYFZSA-N 319.426 2.968 0 40 DFAB C[C@@H](CCNC(=O)N[C@H](C)Cn1ccnc1)c1ccccc1 69561207 CDBRMDJBQBZKRM-LSDHHAIUSA-N 300.406 2.765 0 40 DFAB CCN(C(=O)[C@@H](C)[S@@](=O)Cc1cc(C)no1)c1ccccc1 71859070 ZWFGCTVINSBWPT-MCMMXHMISA-N 320.414 2.673 0 40 DFAB COC(=O)c1cc2c(nc1NC(=O)c1occc1C)CCCC2 72307937 GJSBWUCLGZAVOF-UHFFFAOYSA-N 314.341 2.901 0 40 DFAB CC(C)c1nnc(CN2CCC[C@@H]2c2noc(C3CC3)n2)o1 72300071 FBQJGHDAEKCQOD-LLVKDONJSA-N 303.366 2.791 0 40 DFAB CC(=O)Nc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 72331669 UTRTUAQNQASIMF-UHFFFAOYSA-N 304.296 2.853 0 40 DFAB CCOc1ccccc1CNC(=O)N[C@@H](C)C1CCOCC1 95416767 DPTLJFKIWBUFQX-ZDUSSCGKSA-N 306.406 2.700 0 40 DFAB CC[C@H](NC(=O)c1ccc(OCc2cccs2)cc1)C(=O)O 95425110 ACJCQGFAWGUNEL-AWEZNQCLSA-N 319.382 2.920 0 40 DFAB CC[C@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)OC)CC1 95432426 AOIJHWQFLWFUEH-CVEARBPZSA-N 309.381 2.523 0 40 DFAB Oc1c(F)cc(CNc2ccc(-n3ccnn3)cc2)cc1F 95971936 OSOUCZIOAMNPNC-UHFFFAOYSA-N 302.284 2.863 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCS1 89802123 GXNQEKIAYSZZJB-CYBMUJFWSA-N 307.394 2.916 0 40 DFAB COC(=O)[C@]1(C)CCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 89904259 BBZCDSQSSXZOBY-BLLLJJGKSA-N 324.446 2.521 0 40 DFAB O=C(NCc1ncc[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 76066028 IZZCUVAKGVYTST-UHFFFAOYSA-N 310.332 2.904 0 40 DFAB CCc1ccc(CC(=O)NCCOc2ccc(OC)cc2)cc1 172727302 SJRUICJQRIPATE-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB Cc1nc(CN2CCC(CNC(=O)[C@H]3CC34CCC4)CC2)co1 1001899456 YFKNBNVPXWGDBK-MRXNPFEDSA-N 317.433 2.501 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccs1 72240988 VEBMAZKDNXEJEO-JOYOIKCWSA-N 321.427 2.753 0 40 DFAB COCCN1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72354636 LFNMNRHKHMXNHC-OAHLLOKOSA-N 316.380 2.648 0 40 DFAB CCOc1cc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79439026 CFYBUZKJSZCJQT-LBPRGKRZSA-N 322.409 2.687 0 40 DFAB Cc1ccc(-c2ccc(C(N)=O)cn2)c(-n2nc(C)cc2C)c1 32509062 MBFXULBWZVEMNX-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB O=C(c1cnccn1)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368322 NNXFCWZGQXCCSE-HNNXBMFYSA-N 318.380 2.730 0 40 DFAB COCc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2[nH]1 72403085 MKYAZLSDEIUCDT-UHFFFAOYSA-N 311.341 2.970 0 40 DFAB CCN(C)C(=O)CN[C@@H](C)c1ccc(Br)cc1F 188489131 OYDFICHLSFWKCM-VIFPVBQESA-N 317.202 2.717 0 40 DFAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Br)cc2)o1 72227290 BTPUKKOAFJDXJH-QWHCGFSZSA-N 321.174 2.766 0 40 DFAB Cn1cc(C(=O)N2CC[C@@H](Cc3cnc4ccccc4c3)C2)cn1 72368572 WUBGPHPQDZZIPH-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB C[C@@H](CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12 44136210 MJFOIOWFYPCSSQ-NSHDSACASA-N 321.808 2.577 0 40 DFAB in-vitro Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)c1ccc(F)cc1 80580537 UJRSVGDSNYPOLW-UHFFFAOYSA-N 317.364 2.792 0 40 DFAB COc1ccccc1CCN(C)[C@@H](C)c1nc(C)cc(O)n1 192573814 XFKZTNGONSYVPS-ZDUSSCGKSA-N 301.390 2.735 0 40 DFAB Cc1cccc(NC(=S)NCCCN2CCC[C@@H](C)C2)n1 225738076 BXQSQYTYDBCXFS-CYBMUJFWSA-N 306.479 2.798 0 40 DFAB CN1CCC(NC(=O)CSCc2cccc(Cl)c2)CC1 47837425 DSBBILYBNJENLK-UHFFFAOYSA-N 312.866 2.784 0 40 DFAB CCNC(=S)Nc1nc(Cl)cc(N2CCCCCC2)n1 225884251 ZIUYOOVKYMCOIN-UHFFFAOYSA-N 313.858 2.817 0 40 DFAB CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccnc2N(C)C)s1 96454129 RIMUHXINUICUKX-JTQLQIEISA-N 320.418 2.872 0 40 DFAB CNC(=O)Cc1ccc(N[C@@H](C)c2cnn(C(C)C)c2)cc1 96494593 NETNCQGGJHBPND-ZDUSSCGKSA-N 300.406 2.926 0 40 DFAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccsc3)C2)n1 96038916 SQNBOXFPPIBERC-MGPQQGTHSA-N 305.403 2.587 0 40 DFAB Cc1ccc(N2CCCN(C(=O)c3ccc(C)s3)CC2)nn1 96404514 GAJUQQXAGZFAIQ-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CC[C@@H](NC(=O)NCCC1(C)OCCO1)c1ccc(C)cc1 96502971 LDTFJZOAPTUPEM-OAHLLOKOSA-N 306.406 2.898 0 40 DFAB COCc1nc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cs1 330213948 FSQJSGCXXDTSLZ-UHFFFAOYSA-N 320.418 3.313 0 40 DFAB CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)O 97231273 SXMNOEXYQKZBGQ-DTWKUNHWSA-N 313.756 2.810 0 40 DFAB O=C(c1ccc(-c2ccccc2F)o1)N1C[C@@H](F)C[C@H]1CO 332144881 NKTAOMKZBCGYFM-QWRGUYRKSA-N 307.296 2.631 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1cccc(C)c1 96521417 RAXPNDJIINDKBW-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB Cn1ccnc1C(=O)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257288766 PVNRUUYTACENTL-YESZJQIVSA-N 324.428 2.518 0 40 DFAB CCCc1ncc(CN2CCO[C@@H](c3ccc(C)cn3)C2)cn1 257228262 FTEBEXXTVQDKKM-QGZVFWFLSA-N 312.417 2.706 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccs1 252536956 JXNYYEBPUAVDCE-HAQNSBGRSA-N 303.387 2.658 0 40 DFAB CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(F)cc1F 280962834 KSKHYJSMNSXVOV-UHFFFAOYSA-N 315.345 2.623 0 40 DFAB CCOCC[C@@H]1CCOC12CCN(Cc1ccccn1)CC2 585105025 NWLZWHOCAYHRPJ-MRXNPFEDSA-N 304.434 2.879 0 40 DFAB c1cncc(CO[C@H]2CSC3(C2)CN(Cc2ccco2)C3)c1 585104304 GZIGUKKGUFJRCQ-MRXNPFEDSA-N 316.426 2.951 0 40 DFAB Cc1cccc(Nc2ccccc2C(=O)N(C)CC(N)=O)c1C 63749305 AUNJORKPTAMYCN-UHFFFAOYSA-N 311.385 2.604 0 40 DFAB C[C@H](CNC(=O)Nc1cc(F)cc(N2CCCC2)c1)C[C@@H](C)O 72294215 BXHIDOFEXKJMAL-QWHCGFSZSA-N 323.412 2.954 0 40 DFAB CCc1ccc([C@@H]2COCCN2CCCc2cnn(C)c2)o1 96413002 GBRLWLVAIHIEDV-INIZCTEOSA-N 303.406 2.582 0 40 DFAB FC(F)(F)c1cccnc1N1CCC[C@H](C2OCCO2)C1 95959049 LGWSPMIIOLYDTM-JTQLQIEISA-N 302.296 2.690 0 40 DFAB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)OC)nc21 5490765 UGJJYPDVTPKJBL-SECBINFHSA-N 316.386 2.653 0 40 DFAB CCc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2OC1=O 17032099 DTAMMOOSCBEYCN-HNNXBMFYSA-N 310.353 2.977 0 40 DFAB CC(C)(O)C(C)(C)OB(O)c1ccc(Oc2ccccc2)cc1 169978881 UZGHHHKMJQBRIC-UHFFFAOYSA-N 314.190 2.733 0 40 DFAB CCCc1nnc(S/C(=C\c2cc(C)n(C)c2C)C(=O)O)[nH]1 7342312 SWADYDFZUFXCJK-WQLSENKSSA-N 320.418 2.930 0 40 DFAB C[C@@H]1Cc2ccc3c(c2[C@H](O)C1)C(=O)c1cccc(O)c1[C@H]3O 229938091 FDVOVSCQDWKKHH-WZPYMONGSA-N 310.349 2.634 0 40 DFAB biogenic,in-vitro CO[C@H]1CN(Cc2cncn2C)CC[C@@H]1Cc1ccc(F)cc1 643913775 GPXHZZGJBUFXEL-QAPCUYQASA-N 317.408 2.639 0 40 DFAB CN(C(=O)C1CCC(F)(F)CC1)C1CN(c2ccccn2)C1 1888834173 UNNVSCGPZASTEH-UHFFFAOYSA-N 309.360 2.554 0 40 DFAB COc1ccccc1N1CCN(Cc2cc(C3CC3)on2)CC1 1851086721 IMCXATADYGLHCV-UHFFFAOYSA-N 313.401 2.883 0 40 DFAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)C 13669480 XSUFVSOZJVPCJY-NSHDSACASA-N 300.855 2.889 0 40 DFAB O=C(c1ccco1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238866336 LVXJYCSSZRZAES-ZIAGYGMSSA-N 309.325 2.686 0 40 DFAB O=C(N1CC[C@]2(CCC[C@@H](CN3CCCC3)O2)C1)C1(F)CCC1 1565542049 GPZBPEWWZANNFF-DOTOQJQBSA-N 324.440 2.515 0 40 DFAB O=C(NC1CC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 2086884730 PUQMKBVJPOFOMW-UHFFFAOYSA-N 319.792 2.976 0 40 DFAB C[C@@](O)(CNC(=O)CCSc1ccccc1)Cc1ccco1 206614868 AJSQGQKFZDQSKI-KRWDZBQOSA-N 319.426 2.872 0 40 DFAB Cc1cccc(C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)c1 36699901 CBSBHEOUCHXYNJ-LJQANCHMSA-N 324.424 2.798 0 40 DFAB O=C(N[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)C1CC1 1058097233 SQNCACGRYFQFOW-SECBINFHSA-N 319.352 2.657 0 40 DFAB CC[C@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccccc1 40007761 CKSUTLPMWXPHGQ-ROUUACIJSA-N 318.461 2.653 0 40 DFAB COc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3C)cc1 31662151 HPJQDWDKIXTKIG-AWEZNQCLSA-N 300.362 2.628 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 40513987 ZYUFODXIOLFQJI-SNVBAGLBSA-N 319.327 2.927 0 40 DFAB CC(=O)N1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 40526139 KOALVHMOTQWOOC-UHFFFAOYSA-N 303.406 2.680 0 40 DFAB CCn1cc(C(=O)N2CCCC[C@@H]2C)c(=O)c2ccc(C)nc21 215441 YOGPDCJFFPBXET-ZDUSSCGKSA-N 313.401 2.739 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)on1 52007828 HEVDXFIWXIRIAO-GOEBONIOSA-N 320.364 2.699 0 40 DFAB Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cnnn2)cc1 421278 OMBSYSXHZTWMST-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(C2CC2)n[nH]1 22239661 IVQXPGVINWPOTO-JTQLQIEISA-N 314.414 2.752 0 40 DFAB Cc1cc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)no1 2787773 UYCXJCRAJRUGTQ-UHFFFAOYSA-N 316.292 2.607 0 40 DFAB Brc1ccc(-c2noc(-c3cnccn3)n2)cc1 8992391 KORXXRZIYVYXSV-UHFFFAOYSA-N 303.119 2.956 0 40 DFAB COc1ccc(-c2nnc(SC[C@H]3CCCO3)n2C)cc1 1332837 IVAXLTKFNDCHPK-CYBMUJFWSA-N 305.403 2.762 0 40 DFAB O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCCCC1)N1CCCCC1 1657332 PVNMJVJJFGBHCH-HZPDHXFCSA-N 304.434 2.594 0 40 DFAB Cc1cccc(C)c1NC(=O)NS(=O)(=O)c1ccccc1 1727730 ZMWTTWKHXWUMAJ-UHFFFAOYSA-N 304.371 2.814 0 40 DFAB C1C[C@@H](c2noc(C3CC3)n2)CN(Cc2nc(C3CC3)no2)C1 78890802 DFVOZQBAUJUKPF-GFCCVEGCSA-N 315.377 2.587 0 40 DFAB O=S(=O)(N(CC1CC1)C1CC1)N1CCC[C@H]1c1ccco1 78880800 RXQMCSNFILDKGI-AWEZNQCLSA-N 310.419 2.536 0 40 DFAB C[C@H](NC(=O)NC[C@H](C)CCO)c1ccc(F)cc1Cl 78952967 STBBJISDKFTOBW-ZJUUUORDSA-N 302.777 2.858 0 40 DFAB CC(C)c1ccc(O[C@@H]2CCN(C3CCOCC3)C2=O)cc1 78990540 KQASWBLJKPSOOH-QGZVFWFLSA-N 303.402 2.969 0 40 DFAB CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)O 2679874 ICCAIQOHGSCWMD-HNNXBMFYSA-N 315.369 2.834 0 40 DFAB CCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)C[C@@H]1C 4856000 ULZDTMZTPPIPRZ-LBPRGKRZSA-N 306.381 2.866 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 42464958 IDYZKCXIHSGLNM-CQSZACIVSA-N 320.820 2.605 0 40 DFAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[C@@H]1CCCO1 7149767 KOQAQFFRSCJDCR-ZETCQYMHSA-N 300.141 2.768 0 40 DFAB CCOC(=O)[C@]1(C)CCCN1CC(=O)Nc1cc(C)cc(C)c1 89978186 HQGONDBYONCYQK-SFHVURJKSA-N 318.417 2.660 0 40 DFAB C[C@H](NC(=O)c1csc2c1CCCC2)c1nnc2n1CCC2 89913819 RDFRDJZQHVJNND-JTQLQIEISA-N 316.430 2.656 0 40 DFAB Cc1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1C 43144227 ZMHDVGAZLJIRDO-UHFFFAOYSA-N 311.385 2.855 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 12588611 CPLNDAMCWUKIAN-UHFFFAOYSA-N 304.296 2.642 0 40 DFAB C[C@H]1CN([C@H](CNCc2ccncc2)c2cccs2)CCO1 106908648 JDTXWODWPORFFB-GOEBONIOSA-N 317.458 2.695 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)c1 56001800 ABVADEOWNTXRJX-CVEARBPZSA-N 300.402 2.527 0 40 DFAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc2[nH]nnc2c1 12529986 MDEWEGQRGZRIKW-UHFFFAOYSA-N 300.749 2.884 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C 3228523 AIZOKUJYZRTQTE-WPRPVWTQSA-N 311.765 2.795 0 40 DFAB Cn1cncc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100763598 GOJXLTZFOLKUJJ-ZIAGYGMSSA-N 315.392 2.574 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@@H](C)O1 89948311 GYTANMXIKCBXFD-CZUORRHYSA-N 313.401 2.944 0 40 DFAB CCn1c(=O)c2ccccc2n2c(CNc3ccccc3)nnc12 58018763 HTDNPBDLNIBUTA-UHFFFAOYSA-N 319.368 2.676 0 40 DFAB CCOc1ncccc1NC(=O)/C=C/c1c(C)nn(C)c1Cl 27581829 QOQHNFUNZPSQFF-BQYQJAHWSA-N 320.780 2.828 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccncc2)c1 58161901 ZQODBZZCCSAMMJ-CXAGYDPISA-N 323.396 2.948 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)Cc1ccco1 44955502 QGGRNLHMPFDFHD-CYBMUJFWSA-N 317.389 2.892 0 40 DFAB CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21 100825292 QXOAAPILNGTDRY-SQFISAMPSA-N 312.391 2.569 0 40 DFAB CCSCCC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58404837 UQTNMJLILFXZSX-AWEZNQCLSA-N 322.474 2.781 0 40 DFAB O=C(NCCc1ccccc1F)c1cc(=O)[nH]c2ccccc12 12936190 RXSMCXKVICPINY-UHFFFAOYSA-N 310.328 2.640 0 40 DFAB CCCS(=O)(=O)CCNC1(c2nc(C)cs2)CCCC1 95432218 MTPMCCABLSHAEZ-UHFFFAOYSA-N 316.492 2.635 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)c(F)c1 75584056 MTBYAXNKLDVJIA-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4029889 CLHLJVPRRDQZCP-LSDHHAIUSA-N 319.401 2.678 0 40 DFAB biogenic CCCNCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 4056417 LCYJOMIUWWMVAM-UHFFFAOYSA-N 324.446 2.742 0 40 DFAB C[C@H](C[S@](C)=O)N(C)c1nc(C(F)F)nc2ccccc12 96011432 FOTQOCXIUNFWHR-AOUSDQRYSA-N 313.373 2.771 0 40 DFAB CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 65610034 JTLPSOWUFBUZHK-GFCCVEGCSA-N 303.337 2.992 0 40 DFAB Cc1cc(CNC(=O)CCN2c3ccccc3CC[C@H]2C)no1 76092639 GOYGUDGNQSPPKF-CYBMUJFWSA-N 313.401 2.831 0 40 DFAB O=C(COc1ccccc1)N1CCC(N2CCCCC2)CC1 4703421 SNZVCESACIVHNW-UHFFFAOYSA-N 302.418 2.542 0 40 DFAB C[C@@H](COCC(F)(F)F)Nc1ncc(Br)cn1 67369898 SMXRIGXFNTXCDO-LURJTMIESA-N 314.105 2.618 0 40 DFAB CCc1noc(CN2CCC[C@@H]2c2cc(OC)ccc2OC)n1 71794666 KVNGCWISIGVVPI-CQSZACIVSA-N 317.389 2.986 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)sn1 96449168 LOJCUGISRKENNT-NSHDSACASA-N 309.435 2.675 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1 67800976 KFAAYKYHGMJIKJ-ZDUSSCGKSA-N 308.353 2.565 0 40 DFAB CCc1ncc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)s1 70009582 PHSMSZXRUSRRBT-GFCCVEGCSA-N 304.419 2.515 0 40 DFAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC1(Cl)Cl 8328787 YWBKDRACUNWMLT-JTQLQIEISA-N 313.184 2.711 0 40 DFAB C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(Br)s2)C1 70172867 VGASLXXFLCZSGM-DTWKUNHWSA-N 317.252 2.710 0 40 DFAB C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1cccc(Cl)c1 69492864 YVESZSOLBBTYEU-OVWNDWIMSA-N 301.839 2.892 0 40 DFAB Cn1nccc1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 91574812 RERHOEWEYMJCDC-UHFFFAOYSA-N 310.140 2.523 0 40 DFAB O=C1CCCN1CCCn1cc(-c2ccc3ccccc3n2)nn1 91536344 RZJZKDDUALDJBI-UHFFFAOYSA-N 321.384 2.506 0 40 DFAB O=C(CSCc1noc(-c2ccc(Cl)cc2)n1)NC1CC1 69698631 GWXWDDSGDQJPMR-UHFFFAOYSA-N 323.805 2.902 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 69811502 KDGWFFSYEOGSPR-AFAVFJNCSA-N 321.392 2.977 0 40 DFAB CC1CCC(O)(CS(=O)(=O)Cc2ncoc2C(C)C)CC1 97034907 GMJSKDIIXKHRFW-UHFFFAOYSA-N 315.435 2.654 0 40 DFAB Cc1cccc(Cn2cnc3sc(C)c(C(=O)O)c3c2=O)c1 85347562 ZQTQWBSHBDEXJK-UHFFFAOYSA-N 314.366 2.821 0 40 DFAB C[C@@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)CS(C)(=O)=O 95984594 IGJKJJFXTKBLRO-UWVGGRQHSA-N 307.818 2.810 0 40 DFAB CCn1ccc(=O)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 95992179 BCDQZGNPMOEJES-RYUDHWBXSA-N 318.323 2.889 0 40 DFAB O=C(C[C@H]1CNCCO1)Nc1ccc(Oc2ccccc2)cc1 95962141 HCHHHDAPDNHEKK-KRWDZBQOSA-N 312.369 2.796 0 40 DFAB C[C@@H](CNC(=O)Cc1ccccc1O)Oc1ccccc1F 75163884 JAXPZPSYYZXVHU-LBPRGKRZSA-N 303.333 2.658 0 40 DFAB CC(C)n1ccc(CCNC(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 89894098 LULYAIPKXWSWMA-HUUCEWRRSA-N 304.438 2.838 0 40 DFAB CCN(C(=O)c1ccc(C(C)C)cc1)[C@@H](C)CS(C)(=O)=O 79033969 ROJXKCJFDJIKLP-ZDUSSCGKSA-N 311.447 2.705 0 40 DFAB CCc1cc(N2CCN(c3nc4ccccc4o3)CC2)ncn1 603393332 DITDXPPUALRXFN-UHFFFAOYSA-N 309.373 2.507 0 40 DFAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1ccon1 519404734 OZZZRHXDRRWYIE-QGZVFWFLSA-N 302.349 2.980 0 40 DFAB Cn1cccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 409071592 KLBZDAAEHWQJJP-UKTHLTGXSA-N 301.733 2.776 0 40 DFAB Cc1ccc2[nH]c3c(=O)n(Cc4nc(C(C)C)no4)cnc3c2c1 33311887 YUDRUFNHDWRKNJ-UHFFFAOYSA-N 323.356 2.741 0 40 DFAB COC(=O)c1cc(NCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F 36394233 VDZVKQGFLWJSLR-NHYWBVRUSA-N 322.380 2.719 0 40 DFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccsc1 71280898 YNDHMPJIWJULFU-NSHDSACASA-N 319.386 2.940 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 72385728 WZHPIUKHYWNMGF-OAHLLOKOSA-N 302.378 2.701 0 40 DFAB Cc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)n2c1 71459194 NIMORYWTNMJQID-UHFFFAOYSA-N 309.325 2.932 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2cccc(C)c2)n1C 71259846 YWIRMLXZDKJYDU-UHFFFAOYSA-N 318.446 2.751 0 40 DFAB CC[C@]1(C)CN(C(=O)NCc2ccc(OC)c(F)c2)CCO1 187774437 HMZADKFLDVDRKH-MRXNPFEDSA-N 310.369 2.545 0 40 DFAB CC(=O)Nc1ccc(C(=O)NC[C@@H]2COc3ccccc32)cc1 74911653 PZBIEGWGPIBJQH-CQSZACIVSA-N 310.353 2.551 0 40 DFAB Cc1cc(O)nc([C@H](C)N2CCO[C@H](c3ccc(C)o3)C2)n1 192707560 CHJQHRKDZHQAHN-JSGCOSHPSA-N 303.362 2.527 0 40 DFAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CC(n2cc(-c3ccccc3)nn2)C1 225663577 IPCVEAKGQQRFQT-QRTARXTBSA-N 320.396 2.541 0 40 DFAB COc1ccc(-c2cnc(CCC(=O)NC3CC3)o2)c(OC)c1 224865042 HRZUNDCUSXHASC-UHFFFAOYSA-N 316.357 2.570 0 40 DFAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1N1CCCC1 226103719 YKLKJWGVHHCWOH-UHFFFAOYSA-N 312.373 2.503 0 40 DFAB CC(C)CC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386278 ULDIFSRSOWEXSO-OAHLLOKOSA-N 314.385 2.601 0 40 DFAB O=S(=O)(N[C@H]1C[C@H](c2ccccc2F)C1)c1cncc(F)c1 575200452 OXMOFEDNVNFWRY-UMSPYCQHSA-N 324.352 2.584 0 40 DFAB c1cc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cs1 96047945 JERWLJAJCUKIEK-MRXNPFEDSA-N 306.475 2.967 0 40 DFAB COCCOC[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 96431815 DPJJMXKHGLWLFP-ISOUWHGUSA-N 321.461 2.714 0 40 DFAB C1CC(N2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)C1 96065064 ABBOZEKEHIORFO-RTBURBONSA-N 323.477 2.853 0 40 DFAB CCn1c(SCCCCS(C)(=O)=O)nc2ccccc21 96469360 RPSNGHKACQDMTM-UHFFFAOYSA-N 312.460 2.973 0 40 DFAB CC(C)(C)c1nc2cc(NC(=O)NC[C@H]3COCO3)ccc2o1 583651501 OBEVWFIYGMUREF-NSHDSACASA-N 319.361 2.620 0 40 DFAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2cccnc2)cc1 96441845 GLVMSIDRRUXEQM-KRWDZBQOSA-N 324.380 2.624 0 40 DFAB CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1cccc(C)c1 96532199 KCVBVOVINVJOJO-UHFFFAOYSA-N 321.427 2.976 0 40 DFAB CCCC[S@@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 95410046 PDSCWAMTJHKYFH-SFHVURJKSA-N 310.387 2.732 0 40 DFAB COC(=O)[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 24985899 OCPRLHCLFPMWHH-MRXNPFEDSA-N 314.385 2.655 0 40 DFAB O=C(CCc1ccccc1F)N1CCC[C@H]1c1ccnc(O)n1 257312611 UOTXXROUEYHXQM-HNNXBMFYSA-N 315.348 2.618 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2Cc2cnn3c(C)cc(C)nc23)n1 257259640 KZHJAMMCJXFHAW-INIZCTEOSA-N 324.432 2.725 0 40 DFAB CC(=O)Nc1ccc(Cl)c(NC(=O)NCC(F)(F)F)c1 298881686 KDJOKQRHYBBRNE-UHFFFAOYSA-N 309.675 2.982 0 40 DFAB COCc1ccc([C@@H]2CCCN2[C@@H](C(=O)O)c2cccnc2)o1 568758175 JNHQMJWZXNIUSC-GOEBONIOSA-N 316.357 2.784 0 40 DFAB COCCC(=O)N1CCCC[C@H]1c1nc(C)n2ccsc12 585178903 KAJQQTPNSSYLFK-LBPRGKRZSA-N 307.419 2.794 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)c1csc(-c2nc[nH]n2)n1 69435056 DKJGYDDEVDEBSC-SNVBAGLBSA-N 313.386 2.728 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 71827920 VJMNKLMVQKKMRB-AWEZNQCLSA-N 317.364 2.857 0 40 DFAB CC(C)(C)OC(=O)Nc1ncc([C@H](O)c2ccncc2)s1 1083814349 QPHHJAFEFUJTBB-LLVKDONJSA-N 307.375 2.967 0 40 DFAB NC(=O)[C@@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 53945119 PWWNEGRGNTXIFV-HNNXBMFYSA-N 310.378 2.858 0 40 DFAB COCCOc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 93586011 BZSVGXROUMZRJQ-MJGOQNOKSA-N 319.445 2.839 0 40 DFAB CSC[C@@](C)(O)CNC(=O)Nc1ccccc1C(F)(F)F 75143738 JWNBCOUMXCTTCO-LBPRGKRZSA-N 322.352 2.941 0 40 DFAB CCS(=O)(=O)N(C)C1CCN(C[C@H]2CCCC[C@@H]2C)CC1 97108449 RKUVZJIJPDPHIP-LSDHHAIUSA-N 316.511 2.559 0 40 DFAB C[C@H](c1ccsc1)N1CCN(CCN2CCCCC2)CC1 97142292 QZVYKPAQAZEVJE-MRXNPFEDSA-N 307.507 2.913 0 40 DFAB Cc1ccoc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91776819 QPKPVHAFSGNYLD-RISCZKNCSA-N 307.296 2.814 0 40 DFAB Cc1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cs1 42114366 XFYXYOVTDGUWOB-UHFFFAOYSA-N 320.798 2.723 0 40 DFAB O=C(NCCCc1ccccc1)C(=O)Nc1ccccc1F 5184061 QBJXWTNQMUHONA-UHFFFAOYSA-N 300.333 2.513 0 40 DFAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 11754604 BRJQLOLDSUYOHU-INIZCTEOSA-N 305.381 2.627 0 40 DFAB Cc1cccc(C2=NO[C@@H](CC3(C(=O)O)CCOCC3)C2)c1 19234568 BVPZOLMIEDHQCK-CQSZACIVSA-N 303.358 2.760 0 40 DFAB C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1cccnc1 161616488 WBNMHSWLQYLAKQ-GFCCVEGCSA-N 322.372 2.760 0 40 DFAB O=C(O)C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 13167030 KKOWBGXOWYLPLU-UHFFFAOYSA-N 315.291 2.571 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)c2snnc2CC)cc1 22699586 APMXUTXFFZKJKQ-SNVBAGLBSA-N 305.403 2.990 0 40 DFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)s1 13147826 KXQRQBAFSDOKNR-RKDXNWHRSA-N 311.790 2.759 0 40 DFAB COc1cc(OC)cc(-c2nn3c(C(C)C)nnc3s2)c1 15109591 QMIWPPWDTNDITC-UHFFFAOYSA-N 304.375 2.993 0 40 DFAB CCn1/c(=N/C(=O)C(C)C)sc2c(OC)ccc(OC)c21 100908966 HQHAVAOQMULIFJ-NXVVXOECSA-N 308.403 2.823 0 40 DFAB Cc1noc(CNC(=O)C2c3ccccc3Oc3ccccc32)n1 38680568 FQWNMVINUZGFGA-UHFFFAOYSA-N 321.336 2.932 0 40 DFAB COC(=O)c1ccc(C(=O)NCc2cncc(C3CC3)c2)cc1 575620178 QVDBNXLQJUMYNO-UHFFFAOYSA-N 310.353 2.676 0 40 DFAB Fc1ccc2ncnc(N3CC(COc4cccnc4)C3)c2c1 2298222286 YRSSRKDZEVNPDS-UHFFFAOYSA-N 310.332 2.679 0 40 DFAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccccc1 13577296 ZQWIRLWROICUIX-INIZCTEOSA-N 305.337 2.912 0 40 DFAB O=C(O)/C=C/C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccco1 526765 JKDMOPUAHRXGLM-VFNNOXKTSA-N 310.309 2.598 0 40 DFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 40457518 OIHXTAVJBKNYOC-OAHLLOKOSA-N 300.402 2.700 0 40 DFAB CC(=O)C[C@@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 40556065 FJNJCGCPNZUHFT-CQSZACIVSA-N 312.291 2.660 0 40 DFAB S=c1oc(-c2cccc(Cl)c2)nn1CN1CCOCC1 20630483 IVSYQOPDTMZSSQ-UHFFFAOYSA-N 311.794 2.816 0 40 DFAB Nc1nc(Cl)cc(NCc2ccccc2Cn2cccn2)n1 32779206 IAFKWMMCCOKGSU-UHFFFAOYSA-N 314.780 2.569 0 40 DFAB O=C(NCc1cc[nH]n1)c1ccc(C2SCCS2)cc1 32928094 LMSLHNSEMKHVDH-UHFFFAOYSA-N 305.428 2.818 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)C2)c2ccccc21 33184342 ASAMTEOHPBSZBS-UONOGXRCSA-N 315.417 2.518 0 40 DFAB O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)c1 29657 MTLPBQYRVAWPQH-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cn3ccc(C)cc3n2)c1 415702 RTESHUBJZPGXGY-UHFFFAOYSA-N 311.341 2.912 0 40 DFAB Cc1cc(-c2nn3c(CCc4ccccc4)nnc3s2)[nH]n1 22504226 MGXXQPUJBYVIFK-UHFFFAOYSA-N 310.386 2.670 0 40 DFAB O=S1(=O)C=C[C@H](Nc2c3c(nc4c2CCCC4)CCCC3)C1 6293169 KLVMDKSLWJUSKB-LBPRGKRZSA-N 318.442 2.562 0 40 DFAB COc1ccc(-c2nnc([C@@H](C)N3CCC(OC)CC3)o2)cc1 54118370 SJWDIOGPGLHGBH-GFCCVEGCSA-N 317.389 2.917 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)c3ccsc3)C2)n1 72291683 GORGOPIIRBILKM-NHYWBVRUSA-N 318.446 2.924 0 40 DFAB COCCNC(=O)Nc1cccc(COCc2ccco2)c1 47602474 HLPCBABLTODABD-UHFFFAOYSA-N 304.346 2.764 0 40 DFAB COc1cc(C(=O)Nc2ccc(C)cn2)cc(OC)c1OC 972550 UFQZDLWONYZRHD-UHFFFAOYSA-N 302.330 2.668 0 40 DFAB Cc1csc(C(C)(C)NC(=O)Nc2ccc(N(C)C)nc2)n1 72286660 FGZFCFZYGLBYJB-UHFFFAOYSA-N 319.434 2.969 0 40 DFAB CC(=O)Nc1cc(NCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F 24363101 UJMPJGHUNMKKMJ-NHYWBVRUSA-N 321.396 2.891 0 40 DFAB CNC(=O)c1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 51870395 VCBMTMCBTDHSSX-UHFFFAOYSA-N 321.380 2.948 0 40 DFAB O=C1[C@H](Sc2ncc3ccccn23)CCN1CC(F)(F)F 109716322 XTGCHSGHJLYJGF-SNVBAGLBSA-N 315.320 2.590 0 40 DFAB Cc1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1242045 DBGFZBOTFQKNGS-UHFFFAOYSA-N 320.348 2.824 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1COc2ccccc21 72282042 BKKKODANLBCEIE-CYBMUJFWSA-N 307.353 2.698 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)n1 72235369 BXVGZFWUTNJDRO-LBPRGKRZSA-N 320.343 2.650 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3241966 OUNXHPCJZYASNY-UHFFFAOYSA-N 319.382 2.871 0 40 DFAB O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1cccnc1)C1CC1 56457192 XWLXTLYKMULEIK-GOSISDBHSA-N 321.380 2.766 0 40 DFAB CNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3292869 XFBFWAPXJZYBRI-UHFFFAOYSA-N 317.345 2.622 0 40 DFAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@@H]1CCCc2ccccc21 44385405 XVGSAVQFYZWONF-QAPCUYQASA-N 322.408 2.989 0 40 DFAB Cc1cc(N(C)[C@H](C)c2ccc(F)c(F)c2)n2ncnc2n1 48276216 LAJYSLROVYGLDH-SNVBAGLBSA-N 303.316 2.908 0 40 DFAB CCc1nonc1NC(=O)COc1ccc(Cl)cc1Cl 27663375 ZOJQMBZEPPCVDR-UHFFFAOYSA-N 316.144 2.956 0 40 DFAB O=C(NCc1ccc(OCCO)cc1)Nc1cccc(F)c1 58245308 ZBTGXOHCSKDGPW-UHFFFAOYSA-N 304.321 2.519 0 40 DFAB COc1ccc(C)cc1C(=O)CSc1nnc(C2CC2)n1C 58294827 ALQDNAGFQPZMSN-UHFFFAOYSA-N 317.414 2.985 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccnc(-n2ccnc2)c1 58209128 JMGWNHIRWBVOOM-HZPDHXFCSA-N 304.353 2.553 0 40 DFAB CCONC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 44966953 NLZZJRNWGWXJDQ-NSHDSACASA-N 305.403 2.580 0 40 DFAB COc1ccc(-c2cnc(CCC(=O)Nc3cn[nH]c3)o2)cc1 58329220 GIOMEJIUNGBHTN-UHFFFAOYSA-N 312.329 2.645 0 40 DFAB CCCCC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)OC)c1 28048611 AXCXSVORBSPQIV-GFCCVEGCSA-N 313.419 2.720 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1F 12775528 DIUMYDOUKREEQG-MRXNPFEDSA-N 314.316 2.726 0 40 DFAB COc1ccc(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 101276538 XCJAZZFYKTWXPN-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB CCOC[C@@H]1CCC[C@]12CN(C(=O)Cc1ccsc1)CCO2 107195232 OIDSXIHLNGUIDB-RDJZCZTQSA-N 323.458 2.725 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1cccc(F)c1 3309338 KQOJLIQSQZBZNZ-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB CCOc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 57692470 OGJWUHVRPMLTLW-UHFFFAOYSA-N 305.399 2.906 0 40 DFAB CC(C)c1ccc(S(=O)(=O)[C@H](CN)c2cccnc2)cc1 11805402 JNNBBZQONNZHHM-MRXNPFEDSA-N 304.415 2.679 0 40 DFAB COc1cccc(CNC(=O)COc2ccc(C(C)=O)cc2)c1 3436347 IQNAIDDZXZAJHU-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB O=C(Nc1ccc(F)cc1)C1CCN(CC2=CCCOC2)CC1 92965488 YYCAGYFYCKRWHB-UHFFFAOYSA-N 318.392 2.823 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CC(=O)c1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1 97108806 HANUSFOUCOXAEV-UHFFFAOYSA-N 320.352 2.937 0 40 DFAB CC(C)c1cc(NC[C@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 89893318 LSHFOTNEFCNXIQ-GFCCVEGCSA-N 311.451 2.570 0 40 DFAB CCOc1cccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)c1 78898527 IVCKFPQFBFIYOB-KBXCAEBGSA-N 316.445 2.822 0 40 DFAB C[C@@H]1OCC[C@H]1C(=O)NCC1(N2CCCCC2)CCCCC1 92212823 FYTGUYNVQSJCLT-JKSUJKDBSA-N 308.466 2.716 0 40 DFAB Cc1ccccc1OCC(=O)N1CC[C@H](Oc2nccs2)C1 585320126 KFQHRIKQJPOECX-ZDUSSCGKSA-N 318.398 2.510 0 40 DFAB COc1ccc([C@H]2N=C(O)C(C#N)=C(O)[C@@H]2[n+]2ccccc2)cc1 5917596 NOSCDHCKNVHARE-HZPDHXFCSA-O 322.344 2.571 0 40 DFAB CC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)O 13034429 LCCNHSOSESBRRA-NSHDSACASA-N 301.342 2.832 0 40 DFAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 17307636 UCGVISPPAVMLJY-UHFFFAOYSA-N 310.353 2.761 0 40 DFAB c1ccc(-c2cc(CNCCc3ccco3)c3nnnn3c2)cc1 19374029 LZJKNAOTVYQEEO-UHFFFAOYSA-N 319.368 2.717 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C)CC1 19747099 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Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 100950432 AZWIUJBEXVGWJB-BETUJISGSA-N 324.380 2.834 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 40803390 PXBASLKBKVKNNX-CYBMUJFWSA-N 301.342 2.848 0 40 DFAB Cc1cn2nc(NC[C@@H](CO)Cc3ccc(F)cc3)sc2n1 51991907 DRDXBRUSNQCJLU-LBPRGKRZSA-N 320.393 2.501 0 40 DFAB CCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@@H](C)CC)n1 32752705 LMIJBBMIIUZXCZ-VIFPVBQESA-N 309.435 2.557 0 40 DFAB C[C@@H]1CN(c2ncnc3c2[nH]c2ccc(F)cc23)C[C@@H](C)O1 523416 SNWFBPFCWSHFQE-NXEZZACHSA-N 300.337 2.864 0 40 DFAB O=C(OCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 555909 JENKMDHFRKMCEW-AWEZNQCLSA-N 313.328 2.922 0 40 DFAB O=C(NCc1ccccn1)c1nc(-c2c[nH]c3ccccc23)no1 12324312 WZMWUFXIZVQBNG-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1CCCO1 22835775 OKXWGFKTZYFRGO-CQSZACIVSA-N 302.399 2.648 0 40 DFAB C[C@H]1CCCN(c2ncnc3c2nnn3Cc2ccccc2)C1 4966624 NLFYSHLVXCFKEV-ZDUSSCGKSA-N 308.389 2.506 0 40 DFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 6648424 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COc1ccc(C)cc1CN(C)Cn1ncc2ccccc2c1=O 26612620 HQDVEQCJMVEARH-UHFFFAOYSA-N 323.396 2.803 0 40 DFAB CC(C)n1c(S)nnc1CNC(=O)c1cc2c(s1)CCC2 109056945 NFYPOVUZBWWWSE-UHFFFAOYSA-N 322.459 2.628 0 40 DFAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@@H]1CCOC1 71847574 NPVREPQYTRWYBS-LLVKDONJSA-N 302.305 2.988 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCC(=O)N2 44868652 ZNZPSZIBOSWXRZ-NSHDSACASA-N 308.337 2.609 0 40 DFAB Cc1cc2ncn(C[C@@H](O)CNCc3cccs3)c2cc1C 48230457 AADFPDYNUNYZRA-AWEZNQCLSA-N 315.442 2.865 0 40 DFAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCO2 3345177 CDDDCSOTWFFMEL-GFCCVEGCSA-N 310.353 2.805 0 40 DFAB CCOCC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96501390 ZXNKAWFUZFWPNL-ZDUSSCGKSA-N 317.307 2.642 0 40 DFAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccn1 11077409 XKSZTLZQMQGNCJ-LLVKDONJSA-N 316.382 2.988 0 40 DFAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)s2)cc1 3359812 HJTCFUADQCXERL-UHFFFAOYSA-N 318.398 2.776 0 40 DFAB Cc1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1 59569687 NPHVRFNHKUXZKI-RMKNXTFCSA-N 308.429 2.929 0 40 DFAB CC(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11695810 DIJYHTPLLRNSLW-UHFFFAOYSA-N 309.369 2.879 0 40 DFAB COc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 48374616 DCBSRMUGLDCDLW-UHFFFAOYSA-N 304.371 2.813 0 40 DFAB CCC[C@H](NC(=O)C(C)C)C(=O)N1CCc2sccc2C1 60373208 KBYAATOGXJRKFG-ZDUSSCGKSA-N 308.447 2.574 0 40 DFAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)[C@H]1CCCO1 46732582 PSKXOVZPPAVGFH-IAGOWNOFSA-N 319.401 2.890 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(C)cc1 13005544 TXEVDBYXWGOPHS-HNNXBMFYSA-N 300.358 2.671 0 40 DFAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccco1)C2O 19323636 JIEDQOMNYXDMBM-UHFFFAOYSA-N 304.434 2.857 0 40 DFAB biogenic CC(C)[C@](C)(O)CNC(=O)c1ccc(Br)s1 96441128 FQHXCHZSDYLSMS-LLVKDONJSA-N 306.225 2.647 0 40 DFAB Cc1ccnn1CCCn1c(=S)[nH]c2ccccc2c1=O 4291283 CJGMKPPPFWRJIG-UHFFFAOYSA-N 300.387 2.654 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)c1ccccc1 71869845 WSTYWQVTMGNRBZ-IAGOWNOFSA-N 313.401 2.570 0 40 DFAB COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H](C)C(C)C)C1 65491290 VMYRYURROQOEIJ-CABCVRRESA-N 319.449 2.865 0 40 DFAB COc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(OC)c1 14009650 ITTSYVCKVDISBG-GDNBJRDFSA-N 324.336 2.801 0 40 DFAB Cc1ccc(NC(=S)NNC(=S)N[C@H]2C=CCCC2)cc1 4562264 LBDBBOALUNSRCL-LBPRGKRZSA-N 320.487 2.769 0 40 DFAB CC(=O)N[C@H](CC(=O)NC1CCCC1)c1c(F)cccc1F 66268224 CJFCONBNDIBLJA-CQSZACIVSA-N 310.344 2.591 0 40 DFAB NNc1nc2c(Cl)c(Cl)c(SCCO)cc2s1 22124713 TUPIOVJRYHUIMY-UHFFFAOYSA-N 310.231 2.973 0 40 DFAB COc1ccc(COC[C@H](O)CN(C)Cc2cccs2)cc1 68047393 HXPKIHIDSYFMSY-OAHLLOKOSA-N 321.442 2.766 0 40 DFAB COc1cccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2C)c1F 90631135 XQEGDKPWAWJSOP-JTQLQIEISA-N 314.316 2.822 0 40 DFAB C[C@H](NC(C)(C)CNC(=O)[C@@H](C)n1ccnc1)c1ccccc1 68385348 ZJGTZWDAOWDFGC-LSDHHAIUSA-N 314.433 2.690 0 40 DFAB CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(NC(C)=O)cc1 7737331 IMAPKPHPDNORCS-MRXNPFEDSA-N 306.362 2.865 0 40 DFAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 16108649 VNUQFINHCVQHHH-LLVKDONJSA-N 321.373 2.720 0 40 DFAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccnc1 8288550 MQLMGDYEOSTAHI-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB Cc1cccc(-c2nnc([C@@H](C)Sc3n[nH]c(N)n3)o2)c1 8292557 FIIFOFKFPWYUGZ-MRVPVSSYSA-N 302.363 2.599 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)CCc2cccs2)c1 70013733 MNHHKTMDPWAATQ-CQSZACIVSA-N 303.431 2.877 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)c1nnc(-c2ccccc2)o1 8391592 UNTFNIXISNIMQK-VIFPVBQESA-N 314.374 2.911 0 40 DFAB CC(C)=CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69415854 YVZFJDDWEBJBNT-UHFFFAOYSA-N 324.783 2.730 0 40 DFAB Cc1nccn1-c1ccc(F)cc1CNC(=O)CCOC(C)C 69898764 KXDCFNOVICDKAH-UHFFFAOYSA-N 319.380 2.751 0 40 DFAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(O)cc1 18259958 XGVJJPJQWJYOCM-UHFFFAOYSA-N 317.366 2.738 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)NCCCn1ccnc1 97033277 VMCJTSXNYJCNMF-UHFFFAOYSA-N 324.388 2.589 0 40 DFAB Cc1ccoc1C(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 97018064 DHDVLUUYDHAWKM-UHFFFAOYSA-N 311.297 2.724 0 40 DFAB CN1CCC[C@@H](N2CC[C@H](CSc3ccccc3)C2)C1=O 95466132 KFQKTHHOBCNSSG-GOEBONIOSA-N 304.459 2.721 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cn1 72330227 DYQPWBTWLNYBPC-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB NC(=O)c1cccc(COC(=O)c2cc3c(s2)CCC3)c1 84363997 JCCFEPODEHLKFS-UHFFFAOYSA-N 301.367 2.693 0 40 DFAB COC[C@@H](NC(=O)c1ccc(Br)c(O)c1)C(C)C 95978848 WWFFINSPPRIPIC-LLVKDONJSA-N 316.195 2.556 0 40 DFAB COCc1ccc(CNC(=O)C[S@](=O)C2CCCCC2)cc1 89420332 NURWHXZQDMFJML-JOCHJYFZSA-N 323.458 2.531 0 40 DFAB O=C(Cc1cccnc1)N[C@H](Cc1ccccc1)C(F)(F)F 89830091 KGSVSBDPKMXUBS-CQSZACIVSA-N 308.303 2.914 0 40 DFAB CCOC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn21 306127598 GDCPUEODNORUGR-VBROQKIQSA-N 317.414 2.578 0 40 DFAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N(C)CCO)c1C 72341702 CKUCPHIGBFDISE-UHFFFAOYSA-N 310.401 2.750 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc3ncccc3c1)[C@H]1C=C[C@H]2CC1 561230871 AEBSMLDCIQRWFP-USJZOSNVSA-N 318.376 2.932 0 40 DFAB O=C(Cc1cccnc1)N1CCS[C@H](c2ccco2)CC1 219415611 LBJWZAZXHXLTOD-HNNXBMFYSA-N 302.399 2.924 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1 225884035 AQZQDWQOSFAXQT-INIZCTEOSA-N 310.394 2.641 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@H]2c2ccc(O)nn2)c1 530076850 SSSGQWKAFNOLMG-INIZCTEOSA-N 311.385 2.705 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)c1csc(C)n1 81096032 FNYUBJKIWBUQFT-JTQLQIEISA-N 306.387 2.657 0 40 DFAB COc1cc(-c2csc(N)n2)cc(Br)c1O 44858605 CWLKKQGEZNUHNN-UHFFFAOYSA-N 301.165 2.869 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCC(C)(C)c2ccncc2)CCO1 190795549 IPSWIFRQPKBUMT-KRWDZBQOSA-N 305.422 2.570 0 40 DFAB Cn1cc(N2CCC[C@@H](Sc3ncccc3Cl)C2=O)cn1 96424845 BEEVZANIUXRVDD-GFCCVEGCSA-N 322.821 2.756 0 40 DFAB CCC(=O)N1CCN(c2ccnc3ccc(Cl)cc23)CC1 96406236 PYKBKNLZZPGNSY-UHFFFAOYSA-N 303.793 2.947 0 40 DFAB Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccccn1 96232101 KNAWPGVWXSTNPQ-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB COC(=O)[C@H](C)N(C(=O)[C@H]1C[C@H]1c1ccc(C)s1)C1CC1 96406159 ZXUJXBPQKMZRIF-UHTWSYAYSA-N 307.415 2.713 0 40 DFAB COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cc(C)nn1C 96433775 ALHDPPARDSEXNC-CYBMUJFWSA-N 316.405 2.832 0 40 DFAB C[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F 96484354 YDMLKFFQWJASGX-SFDCBXKLSA-N 310.388 2.603 0 40 DFAB CC(C)N(C)C[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1 96224945 CPFBJWMJTZNUCV-MRXNPFEDSA-N 318.465 2.582 0 40 DFAB c1ccn(Cc2nnc3n2CCCN(Cc2ccsc2)C3)c1 96259637 BBIVAJPDJYABJR-UHFFFAOYSA-N 313.430 2.595 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@H](C)C3)CC(=O)N2C)cc1 96181363 YTJPHJQZSFEKPW-QILLFSRXSA-N 314.429 2.773 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](CC)N2CCCC2=O)cc1C 96436231 CMJLZHWFEHGAHT-CQSZACIVSA-N 304.390 2.733 0 40 DFAB CCOc1ccc([C@@H](COC)NC(=O)c2scnc2C)cc1 252510059 ZAWXYJRFBZQKSP-CQSZACIVSA-N 320.414 2.968 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2nccn2C(C)C)nc(C)n1 257213797 CJCKYNUISFMCMA-HNNXBMFYSA-N 314.437 2.941 0 40 DFAB Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257240062 HRWPMPIZAXFHMJ-IKGGRYGDSA-N 324.428 2.518 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3C)C2)n1 257341981 ZMPNDBGKEBYVCH-AWEZNQCLSA-N 319.430 2.595 0 40 DFAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)C1CCC1 41655432 JNDPJXGSBWFWJL-MRXNPFEDSA-N 315.461 2.504 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575403715 NBENGAHVZQEXAY-HNNXBMFYSA-N 320.458 2.875 0 40 DFAB CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C(=O)O)s1 580201708 ADJYYCLDIZMIDO-OAQYLSRUSA-N 323.439 2.816 0 40 DFAB C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](Cn2cncn2)C1 70040068 IVGRXQYHFUNSOK-KXBFYZLASA-N 322.412 2.893 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H](c2ccccc2)O1 71827189 MOPCLLWDJQIWLY-YVEFUNNKSA-N 311.385 2.889 0 40 DFAB O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC(F)(F)CC1 794296320 QAPSTSVCLVFTMD-HNNXBMFYSA-N 323.387 2.551 0 40 DFAB CCCN1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 53267310 KOODHBDQAPJVNM-UHFFFAOYSA-N 318.446 2.614 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)Cc2sccc2C)c(=O)[nH]1 72305701 KDXJXCHDRBINAJ-UHFFFAOYSA-N 319.430 2.703 0 40 DFAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)CC(C)C 72310889 GWPOIEMOBQJMCD-RWMBFGLXSA-N 301.452 2.912 0 40 DFAB c1ccc(-n2cnnc2NCc2ccc3c(c2)OCCO3)cc1 97165696 XYRYAVOAHUTLCP-UHFFFAOYSA-N 308.341 2.651 0 40 DFAB CCCS(=O)(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 98014181 PGADOZZISPJKJF-CVEARBPZSA-N 311.447 2.792 0 40 DFAB Brc1ccc(N2CCN(c3cnccn3)CC2)cc1 664325802 NZBDRFITSGRNDE-UHFFFAOYSA-N 319.206 2.566 0 40 DFAB CC(C)(C)C(=O)C[C@]1(O)C(=O)Nc2cccc(C(F)(F)F)c21 5179617 XYCSHLMPQCCUOZ-CQSZACIVSA-N 315.291 2.850 0 40 DFAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 5405804 PVSVDSKLCYNNOH-XJKSGUPXSA-N 316.401 2.815 0 40 DFAB COc1ccccc1C[C@@H](C)NC(=O)C1Oc2ccccc2O1 12196856 MJSGGAKHXVHQDO-GFCCVEGCSA-N 313.353 2.540 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1 14255265 WAGAUYWDEMAKJK-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB O=C(CCn1nc(-c2cccs2)oc1=O)Oc1ccccc1 15190573 QXDVQBLBBSYPND-UHFFFAOYSA-N 316.338 2.561 0 40 DFAB CC(C)N(C(=O)[C@H](C)On1nnc2ccc(Cl)cc21)C(C)C 15393003 MRRJZLUTDMYMSA-NSHDSACASA-N 324.812 2.547 0 40 DFAB Cc1ccc(C2=NO[C@H](CC3(C(=O)O)CCOCC3)C2)cc1 19208902 ZUEHFLXJMHQPAS-AWEZNQCLSA-N 303.358 2.760 0 40 DFAB COc1ccc([C@H]2CCCCN(C(=O)Cn3cccn3)C2)cc1 206883261 NCBQTKYQODSIHW-INIZCTEOSA-N 313.401 2.688 0 40 DFAB C[C@H](c1ccccn1)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 155006458 HKVMIERMFGEMGA-OAHLLOKOSA-N 321.428 2.837 0 40 DFAB O=C(COc1ccc2c(c1)CCC2)OCc1cn2ccccc2n1 4274844 GXCZUAODVVAJBL-UHFFFAOYSA-N 322.364 2.945 0 40 DFAB NC(=O)c1ccc(COC(=O)COc2ccccc2Cl)cc1 16760165 JBMHNFBARYDTRK-UHFFFAOYSA-N 319.744 2.561 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 13166913 KDEQKYGAHXDSQZ-JTQLQIEISA-N 303.289 2.930 0 40 DFAB Cc1cccc(N2CCN(c3ncnc(C)c3F)CC2)c1C 1888853841 FXBHSTXDULLJBF-UHFFFAOYSA-N 300.381 2.868 0 40 DFAB c1cn(CC2CN(c3ncnc4sc5c(c34)CCC5)C2)cn1 1889145789 ZKYZDROESKGITE-UHFFFAOYSA-N 311.414 2.513 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 23043288 DLOSHWZUGCWLEY-UHFFFAOYSA-N 317.366 2.647 0 40 DFAB COc1ccc(CC(=O)N2CCC3(CC2)CC(OC)C3)cc1F 1565551664 JAQLGCNSFKQVIN-UHFFFAOYSA-N 321.392 2.794 0 40 DFAB O=C(CNC1CCCCC1)Nc1c2c(nc3c1CCC3)CCC2 198588 CQSFFJWRORWWDE-UHFFFAOYSA-N 313.445 2.920 0 40 DFAB biogenic Cn1cc(-c2cncc(CNC(=O)Nc3cccs3)c2)cn1 585401731 WJFZGDMUZGELRB-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB O=c1c(=O)n(CC2CCCCC2)ccn1CCc1ccccc1 2298048465 VMZWTGVIOIZWMR-UHFFFAOYSA-N 312.413 2.833 0 40 DFAB c1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)nc1 4271409 YKCWIXVSAAOBBQ-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB O=C(CSc1ncccn1)Nc1ccc(C(F)(F)F)cn1 215712771 LCXZLUUJJMXYBJ-UHFFFAOYSA-N 314.292 2.621 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1csc(-c2ccccc2)n1 151046934 JWLWBQRFMSZUPV-HNNXBMFYSA-N 322.455 2.654 0 40 DFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 50736152 RSCMXRHXYROOIK-ZBFHGGJFSA-N 302.418 2.844 0 40 DFAB O=C(Nn1cnc2ccccc21)c1ccccc1-n1cccn1 40538607 JALZMVNHVSITNZ-UHFFFAOYSA-N 303.325 2.606 0 40 DFAB CCOc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1OC 51188197 AZUMVNQCYFXKDW-QFBILLFUSA-N 313.397 2.842 0 40 DFAB COC[C@@H](C)NC1=NN=C(c2c[nH]c3ccccc23)CS1 101814691 PPMUCCOJGIQBCN-SNVBAGLBSA-N 302.403 2.599 0 40 DFAB CC(C)CNC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 32802420 WGWCEGWQSZXNAW-CQSZACIVSA-N 304.369 2.604 0 40 DFAB CCCn1c(S)nnc1-c1cc(C)nc2c1c(C)nn2C 12394461 WYXGJEUAQKLNJB-UHFFFAOYSA-N 302.407 2.542 0 40 DFAB Cn1cc([C@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C)cn1 78985671 GRHQQKJRVWTBLT-ZDUSSCGKSA-N 306.797 2.986 0 40 DFAB Cc1ccc(S[C@@H](C)[C@@](O)(C(N)=O)c2ccccc2)cc1 1643116 QQDHDKCUVFNAQU-GUYCJALGSA-N 301.411 2.849 0 40 DFAB C[C@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 53516913 VCAMIGXLFFRWNH-NWDGAFQWSA-N 324.384 2.534 0 40 DFAB O=C(/C=C/c1ccccn1)Nc1ccccc1C(=O)NC1CC1 47518473 RLRACNYWFSEYJY-ZHACJKMWSA-N 307.353 2.626 0 40 DFAB CCSc1n[nH]c([C@H]2CCC(=O)N2Cc2ccccc2)n1 6001471 VLCKYVWDCCXNBI-GFCCVEGCSA-N 302.403 2.780 0 40 DFAB COc1cccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 7487410 FTVTZDDNKVWBDQ-UHFFFAOYSA-N 309.369 2.564 0 40 DFAB Cc1cc(C)c(C(=O)Cn2nnc3ccccc3c2=O)c(C)c1 7888224 QKQJCBUADKULMJ-UHFFFAOYSA-N 307.353 2.600 0 40 DFAB CCC(=O)N[C@@H](NC(=N)c1ccccc1)C(Cl)(Cl)Cl 3109669 LUOIETADBLWVMP-NSHDSACASA-N 322.623 2.824 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)NCC1(N(C)C)CCCCCC1 42848764 XLJVCIYIJYIYGA-LBPRGKRZSA-N 324.387 2.725 0 40 DFAB Cc1cc(NCC2(c3ccc(F)cc3)CCOCC2)nc(N)n1 54981844 GUZDNFRTTRIURR-UHFFFAOYSA-N 316.380 2.667 0 40 DFAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)n1 25462221 CLRJMXJGWJVLPA-MRXNPFEDSA-N 306.369 2.643 0 40 DFAB CCC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2cc(C)no2)cc1 56163209 DFXOTBSLVNXDST-LLVKDONJSA-N 316.361 2.771 0 40 DFAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1nccs1)[C@H]2C(=O)O 102829598 POCGGORPSIQSJX-LSKIRQOJSA-N 306.387 2.775 0 40 DFAB CC(C)COC1CCN(C(=O)NOCc2ccccc2)CC1 56373378 XZJSJQRTHIBZCD-UHFFFAOYSA-N 306.406 2.965 0 40 DFAB COc1ccc(OC)c(NC(=O)CCc2c(C)noc2C)c1 9114782 BBRVNKCDUPYQKK-UHFFFAOYSA-N 304.346 2.880 0 40 DFAB O=C(c1ccc[nH]c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 24694904 LTBQVYVLRDVHHY-LBPRGKRZSA-N 323.352 2.536 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCCCC3)C(=O)[C@@H]2C)cc1 57322983 BNWMYTMXXSSSSA-AWEZNQCLSA-N 301.390 2.596 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1cncn1-c1ccccc1 57584840 JKGUEQNHQJWXIQ-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB CN(C)CCn1cc(NC(=O)Cc2ccc3ccccc3c2)cn1 58214843 WLCMQAVMZMHFGO-UHFFFAOYSA-N 322.412 2.779 0 40 DFAB COc1ccc(OC)c(CCC(=O)Nc2c(C)noc2C)c1 58283146 RPOWZLJTDHIIEO-UHFFFAOYSA-N 304.346 2.880 0 40 DFAB CCOC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58200977 AVHBDINGLIXZOW-ZDUSSCGKSA-N 309.341 2.568 0 40 DFAB CC(=O)N(C)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 2136404 VULABATZBKSZOK-UHFFFAOYSA-N 307.419 2.528 0 40 DFAB CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 58392768 QUSUNZGMDQSZGU-MRXNPFEDSA-N 316.445 2.773 0 40 DFAB C[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccsc1 28021038 LUSYKJAMYLUXDP-JTQLQIEISA-N 308.428 2.587 0 40 DFAB COc1c(CNC[C@H](O)c2ccccc2F)c(C(C)C)nn1C 58427981 DJDLISLYYGHXDG-HNNXBMFYSA-N 321.396 2.514 0 40 DFAB COc1cc(OC)cc(C(=O)N2CCC(n3cccc3)CC2)c1 58413465 INHRZRCRLFPJQO-UHFFFAOYSA-N 314.385 2.983 0 40 DFAB CC(C)NC(=O)[C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2 108535380 HNVNPJDIOIOKQM-FUHWJXTLSA-N 301.434 2.598 0 40 DFAB COc1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1 3316128 KHRIFPFNLXOMKJ-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB CCCc1sc(C(=O)N2CCC(C(N)=O)CC2)cc1CC 26534627 XISXCAOMDCJDNC-UHFFFAOYSA-N 308.447 2.601 0 40 DFAB CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@H](C)OCC 84791119 CGWAPSDOQMEITI-NSHDSACASA-N 308.378 2.659 0 40 DFAB O=C(COc1ncnc2sccc12)N1CCc2ccccc21 3386106 FGUGQIMZDOICTP-UHFFFAOYSA-N 311.366 2.659 0 40 DFAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCC1 48366522 AVILAENOWWDJCW-INIZCTEOSA-N 300.446 2.952 0 40 DFAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc[n+]([O-])cc1 11917922 QEGDBBVHZKJTII-UHFFFAOYSA-N 312.325 2.614 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1n[nH]c2ccccc12 46635617 ZINDMXOMYYMLET-UHFFFAOYSA-N 323.352 2.954 0 40 DFAB COC(=O)c1ccc(COC(=O)CCOc2ccccc2)cc1 3525619 KAFYVALPCMPWTP-UHFFFAOYSA-N 314.337 2.986 0 40 DFAB O=C(O)C[C@H](NC(=O)Cc1ccccc1F)c1cccs1 13389351 KQNFEPWCEWFJLT-LBPRGKRZSA-N 307.346 2.762 0 40 DFAB COc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1O 49544668 TUIMNOVYCPOHQL-CYBMUJFWSA-N 305.359 2.559 0 40 DFAB COC(=O)c1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 6127770 HQGFSBZNQISNNS-UHFFFAOYSA-N 319.744 2.805 0 40 DFAB COc1cc(OC)cc(-c2nc3c4ccccc4nc(O)n3n2)c1 4370995 IGKSAKJRLCNGBQ-UHFFFAOYSA-N 322.324 2.667 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1 24256351 VRONJPASVIBTHW-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ncccn1 14093032 PPPTWWPVGCYRIW-NSHDSACASA-N 303.387 2.913 0 40 DFAB Cc1csc(CCNC(=O)c2ccc(N(C)C)c(F)c2)n1 65540163 BGOMTKMPRRVDQX-UHFFFAOYSA-N 307.394 2.629 0 40 DFAB Cc1ccc(-c2ccc(OCc3nc(N)nc(N)n3)cc2)cc1 14170055 OGCHQSKNKUDKAI-UHFFFAOYSA-N 307.357 2.590 0 40 DFAB O=C(NCc1ccc(OCC2CC2)nc1)NCc1cccs1 65607037 UKIUWQMXIQRJCT-UHFFFAOYSA-N 317.414 2.931 0 40 DFAB Cc1[nH]ncc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 65610225 FQYSNOSWUWVLGB-UHFFFAOYSA-N 301.365 2.952 0 40 DFAB Cc1ccnc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 5452288 XOWLGUWWWVRJOL-UHFFFAOYSA-N 308.341 2.512 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1 6590047 XTKHFCQKMTYJNA-UHFFFAOYSA-N 310.353 2.749 0 40 DFAB CCc1noc(C)c1C(=O)NCCn1c(C)nc2ccccc21 8173882 OWCRVLXWBOSWGR-UHFFFAOYSA-N 312.373 2.634 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)c1 70013799 PCANBFCZDNHWRX-AEFFLSMTSA-N 309.413 2.913 0 40 DFAB COCCOCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 71866073 NFABRVZGHONCJL-SFHVURJKSA-N 317.360 2.694 0 40 DFAB C[C@@H](Cn1cccn1)NCc1nc(-c2cccc(Cl)c2)no1 69370498 MEIAGHTUUZCGEJ-NSHDSACASA-N 317.780 2.765 0 40 DFAB Nc1nc(Cl)cc(NCc2cc(-c3ccccc3)on2)n1 69416238 HFQJMFGOVSKVOL-UHFFFAOYSA-N 301.737 2.979 0 40 DFAB COc1ccc(NC2=NCC(=O)N2Cc2ccc(F)cc2)cc1 20143114 XHDOLAIZJAQDPJ-UHFFFAOYSA-N 313.332 2.645 0 40 DFAB CC[C@@H](COC)NC(=O)CCCc1nnc(-c2ccccc2)o1 71915375 XPPUFAUGGUOXPE-AWEZNQCLSA-N 317.389 2.601 0 40 DFAB CCO[C@H]1C[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 69899852 LVTXAPLVLWRYGN-PBHICJAKSA-N 317.433 2.556 0 40 DFAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-n2cnnn2)c1 9750897 RNKCYHVWKSCKHL-UHFFFAOYSA-N 314.736 2.960 0 40 DFAB Cc1noc(CCCC(=O)N2CCCC[C@@H]2c2nccs2)n1 72272067 OCPANPLPUHNZFF-GFCCVEGCSA-N 320.418 2.911 0 40 DFAB N[C@H](C(=O)N1CCc2c(F)cc(F)cc2C1)c1ccccc1 97234215 YCWVSKYBFYIKOH-INIZCTEOSA-N 302.324 2.550 0 40 DFAB COCc1nc(C)c(C(=O)N2CCCc3cccc(O)c32)s1 97233789 GTGYRUKOCBJRBL-UHFFFAOYSA-N 318.398 2.897 0 40 DFAB Cc1csc(-c2ccc(C(=O)N3CCN(C)C[C@@H]3C)cc2)n1 89708847 MCPZGUULMSKKLN-ZDUSSCGKSA-N 315.442 2.895 0 40 DFAB O=C1[C@@H](NC[C@H]2CCCn3ccnc32)CCCN1c1ccccc1 89845619 KDVKUSPLMXADRH-WBVHZDCISA-N 324.428 2.546 0 40 DFAB C[C@H](NC(=O)Nc1cccc(OCCF)c1)C1CCOCC1 89894396 MBXUNJGZTRHENB-LBPRGKRZSA-N 310.369 2.972 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 89948713 FIYVQIPPJVXJBH-YUTCNCBUSA-N 322.453 2.665 0 40 DFAB CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)s2)C1 89949374 GJUZZPUGDTUVGL-NSHDSACASA-N 310.467 2.721 0 40 DFAB CNc1cc(C(=O)N2CCC[C@@H](COC)C2)c2ccccc2n1 76061259 PRTSCKWUNHCAME-CYBMUJFWSA-N 313.401 2.775 0 40 DFAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)OCC 409120498 WBKXKWSWJRSIIY-UHFFFAOYSA-N 319.430 2.934 0 40 DFAB COc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cn1 9454832 DJVGXUVWEBWSHI-GFCCVEGCSA-N 300.358 2.898 0 40 DFAB C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)ccc1F 182343253 AHTFYGUHBHBPQR-WCQYABFASA-N 313.344 2.538 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 74928358 HKCGYVDQVVENJL-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB COc1ccc(Cc2nc(C)cc(SCC(=O)O)n2)cc1 217685815 JNXGLRDQALWHIL-UHFFFAOYSA-N 304.371 2.561 0 40 DFAB Cc1ccc(Nc2cc(N3CCC[C@H](C(=O)O)C3)ncn2)cc1 217362904 NKCQFLFKSFGWHJ-ZDUSSCGKSA-N 312.373 2.830 0 40 DFAB COCCn1nc(C)c(NC(=O)CCc2ccc(C)o2)c1C 79657292 SGAALJUBJGGIGT-UHFFFAOYSA-N 305.378 2.619 0 40 DFAB CCc1ccc(C(=O)NCCn2c(C(C)C)n[nH]c2=S)o1 75400616 ZSUVWIDOLDRMDY-UHFFFAOYSA-N 308.407 2.649 0 40 DFAB CCOC(=O)c1cncc(CCCNC(=O)OC(C)(C)C)c1 228944225 GZYMCCBERGUXTP-UHFFFAOYSA-N 308.378 2.716 0 40 DFAB CCCCc1noc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 46087226 ZAMPNJDRMZEYGL-CHWSQXEVSA-N 307.394 2.645 0 40 DFAB CCOC1(C(=O)Nc2ccc(OCCOC)nc2)CCCCC1 225898966 GNUSLMAHAWUFBK-UHFFFAOYSA-N 322.405 2.785 0 40 DFAB CCOC(=O)N1CCC[C@H]([C@H](C)NCc2cncc(C)c2)C1 225501699 HDSQKRKKNASJDZ-HOCLYGCPSA-N 305.422 2.737 0 40 DFAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2ccno2)C1 572743193 IEJDXEGNJXHLBS-SNVBAGLBSA-N 314.311 2.807 0 40 DFAB O=C(O)c1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cs1 573022869 CNIJSTSZMBBUGF-UONOGXRCSA-N 309.431 2.819 0 40 DFAB Cc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)s2)s1 85471016 YHULQVFEBXSBIC-UHFFFAOYSA-N 322.864 2.953 0 40 DFAB Cn1ccc2c(C(=O)NCc3nc4ccccc4[nH]3)cccc21 95476571 GLJANXWFFCAAHA-UHFFFAOYSA-N 304.353 2.985 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1ccc(OC(F)F)cc1 96433741 HIULRVFQOOALLF-NSHDSACASA-N 300.305 2.931 0 40 DFAB Cn1ccnc1CNc1cccc(S(=O)(=O)C2CCCC2)c1 95411952 HATAOLYXBHQXKH-UHFFFAOYSA-N 319.430 2.749 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96038992 ITOPJISNORFFIT-MSOLQXFVSA-N 305.418 2.713 0 40 DFAB CC[C@@H]1N(CCOCc2ccccc2)CCC[C@]12CCC(=O)N2 96038503 FWRJGTSJMSOAAN-HKUYNNGSSA-N 316.445 2.726 0 40 DFAB CN(C(=O)Cc1ccc(O)cc1Cl)C1CCC(CO)CC1 97236707 JNMWACMIOBUNLU-UHFFFAOYSA-N 311.809 2.598 0 40 DFAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C=C(C)C)C1 96426829 HPMYGRYITVVUJJ-LBPRGKRZSA-N 320.355 2.602 0 40 DFAB O=C(O)[C@@H](c1ccsc1)N1CCN(c2ccc(F)cc2)CC1 95869871 AAXZOCCYGLKPGR-OAHLLOKOSA-N 320.389 2.835 0 40 DFAB COC[C@@H]1CCC[C@@]12CN(Cc1ccc(OC)cc1)CCO2 96051844 RRBYSHPEOTXUKU-FUHWJXTLSA-N 305.418 2.713 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccoc3)CC2)N1 96199582 FLUONLIZGYPAKV-QGZVFWFLSA-N 310.397 2.918 0 40 DFAB Cc1cnc(NC(=O)c2cc(C(C)C)nc(N(C)C)n2)s1 96101236 QQLBYIJMUCWELI-UHFFFAOYSA-N 305.407 2.683 0 40 DFAB CCC(CC)[C@H]1CCN(C(=O)C(=O)Nc2cnccc2C)C1 96416132 OKQRQYQRIKWFNW-AWEZNQCLSA-N 303.406 2.613 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)c(C)c1 256047193 LAICRSONZCCFMK-UHFFFAOYSA-N 300.362 2.573 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3ccnc(C)n3)cn2c1 257236912 HEHOUZIMAAHIIH-MRXNPFEDSA-N 321.384 2.718 0 40 DFAB CC(C)Oc1cccc(CN2CCC3(CC2)OCCC[C@@H]3O)c1 257309859 UCRJOWIOCAKPNI-SFHVURJKSA-N 319.445 2.980 0 40 DFAB O=C(Cc1ccc2ccccc2c1)N1CCOC[C@H]1c1ccn[nH]1 257274050 NJIXHOJFWJWEPJ-SFHVURJKSA-N 321.380 2.706 0 40 DFAB CCc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccccc2)cc1 252516521 TWJKISVPJIDOMZ-IKGGRYGDSA-N 301.411 2.516 0 40 DFAB O=C(c1ccccc1I)N1CCCCC1 572043 RRZYEISWVSLKDI-UHFFFAOYSA-N 315.154 2.917 0 40 DFAB Cc1ncccc1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 585274850 PKWFOMHGIBVNLM-SFHVURJKSA-N 316.376 2.545 0 40 DFAB CC(C)N1C[C@@]2(COCCN([C@H](C)c3ccccc3)C2)CC1=O 585103423 BVDYTKJZJQQVHZ-VQIMIIECSA-N 316.445 2.707 0 40 DFAB Cc1cc(CNC(=O)N[C@]2(c3ccccc3)CC2(C)C)n(C)n1 664847320 KUJMQMKENYQZOP-SFHVURJKSA-N 312.417 2.853 0 40 DFAB CC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 65585675 NRTGEJCQXUQZFM-KGLIPLIRSA-N 305.422 2.619 0 40 DFAB CCCc1nc(CN2C[C@@H](C)C(=O)Nc3ccccc32)no1 72488013 GXSZJKJJEQAVST-LLVKDONJSA-N 300.362 2.617 0 40 DFAB Cc1cnn(CCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1 73204244 XGERNMHHGBPWAX-OAHLLOKOSA-N 323.400 2.645 0 40 DFAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C[C@@H]1CCCO1 97915183 GRLKDSQJLGZKKS-HNNXBMFYSA-N 314.385 2.830 0 40 DFAB Cc1cccn2c(=O)cc(CN[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc12 105701741 CUJUMNWOBOBOFV-JKQORVJESA-N 311.429 2.917 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccncc3)[C@H]2O)c1 1615151791 DXXVOVNMDWOISC-IPMKNSEASA-N 312.413 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CC(C)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5426489 XNPPYPLDVBPEPS-MRXNPFEDSA-N 302.374 2.716 0 40 DFAB in-vitro CCCN(C(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1F 36126756 FXMSNSUWSDJUSD-LZYVBGRKSA-N 317.360 2.766 0 40 DFAB Cc1cc(N)nc(SCC(=O)N(c2ccccc2)C(C)C)n1 7047778 FKYJKXUJGAKYIS-UHFFFAOYSA-N 316.430 2.901 0 40 DFAB CC(=O)c1c(C)[nH]c(-c2csc(N3CCOCC3)n2)c1C 21275225 QWJHUBLKFMSRLP-UHFFFAOYSA-N 305.403 2.794 0 40 DFAB COc1coc(C(=O)Nc2nc3c(C)cccc3s2)cc1=O 16850845 BAWQIYDPSDJIKE-UHFFFAOYSA-N 316.338 2.819 0 40 DFAB Cn1ccs/c1=N\C(=O)c1csc(Br)c1 30799990 IPBWDNABQHAKRO-LUAWRHEFSA-N 303.206 2.652 0 40 DFAB CC[C@H]1CN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CCO1 30762825 XWBLBIBEYHLNOW-LBPRGKRZSA-N 318.417 2.729 0 40 DFAB CN(C(=O)COC(=O)c1cc(F)cc(F)c1)c1ccccc1 51356904 ODYJWQDQIXJDKQ-UHFFFAOYSA-N 305.280 2.785 0 40 DFAB COC(=O)Cc1nnc(Nc2cccc(O)c2)c2ccccc12 303220 CVZCJAJUGJIBRQ-UHFFFAOYSA-N 309.325 2.795 0 40 DFAB CN(C)C1(CNC(=O)Nc2ccc3c(c2)OCO3)CCCCC1 32862306 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O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC=CCC1 55623969 IHAXPVYWTVONAO-GOSISDBHSA-N 322.408 2.869 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@@H](c2ccco2)N(C)C)s1 43697361 HROZCMWIFYDWPF-JTQLQIEISA-N 323.422 2.679 0 40 DFAB Cc1cc(C(=O)NCCn2c(C(C)C)n[nH]c2=S)c(C)o1 76089385 UHZYVCVAFXEWED-UHFFFAOYSA-N 308.407 2.704 0 40 DFAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CCC1 25943952 WGYKFYFBVDWQLK-CYBMUJFWSA-N 301.415 2.666 0 40 DFAB CCOCCc1nnc(NC(=O)c2cccc(OCC)c2)s1 9328163 BNACUGSBHVSIMH-UHFFFAOYSA-N 321.402 2.768 0 40 DFAB COc1ccc(C(=O)N2CCC(n3cccc3)CC2)c(O)c1 57558668 KXUVCUSEIQJQRT-UHFFFAOYSA-N 300.358 2.680 0 40 DFAB COC(=O)C[C@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 84636918 DDWKZOUHSWSYFM-NSHDSACASA-N 319.336 2.690 0 40 DFAB COC(=O)N1[C@@H]2C=C[C@H](C2)N1C(=O)Nc1ccc(Cl)cc1 104822466 UYRRFYWYXVLLMV-VXGBXAGGSA-N 307.737 2.868 0 40 DFAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108924780 NLVUYHIOWJDERC-RHYQMDGZSA-N 315.339 2.843 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)o1 44890273 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13340518 QTUISZDXQYLLGF-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB O=C(NCCc1ccccn1)c1cc(Br)ccc1F 19519481 VQXPFWCIXWBTPI-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(C)CC1 13724613 IYKDEJCPQHKBMZ-UHFFFAOYSA-N 319.405 2.645 0 40 DFAB COc1cccc(NC(=O)CSc2nnc(C(C)C)o2)c1 6257245 YQXIIHSSSIKLFE-UHFFFAOYSA-N 307.375 2.932 0 40 DFAB OC[C@H](NCc1nc(C2CC2)no1)c1ccc(Cl)c(F)c1 96006521 GASFMYPGQGSZNV-LBPRGKRZSA-N 311.744 2.563 0 40 DFAB O=C(NCc1ccoc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 65489947 NJKKFTOEMRTFHU-CYBMUJFWSA-N 317.364 2.744 0 40 DFAB COCCn1c(SCC(=O)c2ccc[nH]2)nc2ccccc21 4484798 OCPKPOVTVWOAMR-UHFFFAOYSA-N 315.398 2.986 0 40 DFAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 4554904 MMSFBZSJNBVKQV-LJQANCHMSA-N 324.380 2.689 0 40 DFAB CO[C@]1(C)C[C@H](N(C)C(=O)NCc2cnc(C)s2)C1(C)C 73868688 MSCWENXQIRGOJT-SWLSCSKDSA-N 311.451 2.797 0 40 DFAB CN(CCNC(=O)Cc1noc2ccccc12)C1CCCCC1 15675045 SIAUQHZTDGFUIV-UHFFFAOYSA-N 315.417 2.751 0 40 DFAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NC3CC3)cc2c1C 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301.361 2.912 0 40 DFAB OCC[C@@H]1CCCN(Cc2cn(-c3ccc(Cl)cc3)nn2)C1 89793892 XTZJQEKGHHBRBG-ZDUSSCGKSA-N 320.824 2.515 0 40 DFAB CCN(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1C 79616783 MNSTWMNCPZIFNO-UHFFFAOYSA-N 321.384 2.697 0 40 DFAB Cc1[nH]c2ccccc2c1C1CCN([C@@H](C)c2nnnn2C)CC1 188848170 MYFWIZOZJYNYPL-ZDUSSCGKSA-N 324.432 2.940 0 40 DFAB CNC(=O)[C@]1(C)CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 568410479 NZNPGVRJPZBWPT-GOSISDBHSA-N 302.418 2.582 0 40 DFAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2N1CCCCC1 32603992 MUPGTHZRBVSLSE-OAHLLOKOSA-N 317.433 2.515 0 40 DFAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1ccccn1 32815532 KBRXBEXELYGIBC-UHFFFAOYSA-N 322.324 2.557 0 40 DFAB Cc1nc(C(C)C)oc1C(=O)N1CCC(c2cnc[nH]2)CC1 328914685 QJPMZCHMBFVQLX-UHFFFAOYSA-N 302.378 2.849 0 40 DFAB NC(=O)CC[C@@H]1CCCN(Cc2ccc(Br)o2)C1 191285212 MGOSYWKGHZUNGJ-JTQLQIEISA-N 315.211 2.520 0 40 DFAB COc1ccc(NC(=S)NCCN(C)c2ccccc2)cn1 225572702 LPJZSZCRJBULHX-UHFFFAOYSA-N 316.430 2.513 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCCSC1CCCCC1 225798416 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2.769 0 40 DFAB COc1ccc(OCCC(=O)OCc2csc(C)n2)cc1 32910252 SQWRLKGSGCYFHR-UHFFFAOYSA-N 307.371 2.972 0 40 DFAB COc1ccc(-c2nnsc2C(=O)Nc2ccccn2)cc1 36365809 YOVWOSCYWBITKB-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB Cc1nc(-c2ccc(OCC(=O)N[C@@H](C)C(C)C)cc2)no1 40464732 CJZXBMBPQAVCNP-NSHDSACASA-N 303.362 2.585 0 40 DFAB CC(C)c1ccc2cc(C(=O)NCc3nnc4n3CCC4)[nH]c2c1 40498794 FGKVEQDVQJWLRK-UHFFFAOYSA-N 323.400 2.759 0 40 DFAB C[C@@]1(C(=O)NCC2CCCC2)Oc2ccc(Cl)cc2NC1=O 41549611 NGPQOQZUGLGAOU-INIZCTEOSA-N 322.792 2.736 0 40 DFAB CCOCCCNC(=O)CCc1ccc(OCC)c(OCC)c1 44949491 RZVWWYNWRGOUPU-UHFFFAOYSA-N 323.433 2.959 0 40 DFAB COC(=O)c1cc(CNc2ncnc3sccc23)oc1C 46479436 FOJOCAQTTNWNLM-UHFFFAOYSA-N 303.343 2.991 0 40 DFAB COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 54730092 GSXPNJXJJULNQW-LSDHHAIUSA-N 300.333 2.649 0 40 DFAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC2CCCCC2)C[C@@H](C)O1 58210553 ORIFNUMBOWWDTF-INMHGKMJSA-N 323.481 2.602 0 40 DFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCOc2ccccc21 58356891 DDFWQUKXSFJYJS-UHFFFAOYSA-N 324.380 2.562 0 40 DFAB CS(=O)(=O)Cc1ccccc1NC(=O)NCc1ccccc1 58665153 LTLCZMDUNNGTTL-UHFFFAOYSA-N 318.398 2.553 0 40 DFAB Cc1nc(Cc2nn3c(-c4ccncc4)nnc3s2)cs1 61721732 MPNJMVYQZXHFTO-UHFFFAOYSA-N 314.399 2.604 0 40 DFAB O=C(c1ccc[n+]([O-])c1)N(CCc1ccccc1)C1CCCC1 63668314 WPUOZHCVVPAVJV-UHFFFAOYSA-N 310.397 2.948 0 40 DFAB O=C(NCCCN1CCc2ccccc21)c1ccc2c(c1)COC2 64487827 GRBMDWAYGDQMKY-UHFFFAOYSA-N 322.408 2.899 0 40 DFAB O=C(NCc1cccs1)c1ccc(N2CCOC2=O)cc1 65405244 RRKCXWUKOYMJKD-UHFFFAOYSA-N 302.355 2.635 0 40 DFAB CCSc1ncc2c(n1)-c1ccccc1N(CC)S2(=O)=O 67260037 VYMCMFYIYXZAKT-UHFFFAOYSA-N 321.427 2.784 0 40 DFAB O=C(C[C@@H]1C=CCC1)N1CCCN(Cc2cscn2)CC1 69779079 XKAFLDMENMTYFP-CQSZACIVSA-N 305.447 2.534 0 40 DFAB CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccs1 69811453 GKHMKFHWVXRKIO-CQSZACIVSA-N 317.410 2.995 0 40 DFAB O=C(COC1CCCCC1)N1CCCC[C@H]1Cn1cccn1 69811765 KUCFBELZAMQMMZ-HNNXBMFYSA-N 305.422 2.614 0 40 DFAB COCCOCCC(=O)NCc1ccc(-c2ccccc2F)o1 71847918 KLAKORIFCLMPAY-UHFFFAOYSA-N 321.348 2.755 0 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O=C(NCCSc1ccccc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 110681458 LQPKTYABWZFFNM-RAIGVLPGSA-N 310.394 2.537 0 40 DFAB FC(F)(F)c1nnc2n1CCN(Cc1ccc(Cl)cc1)C2 150976068 KMQZTYJBYHPEJA-UHFFFAOYSA-N 316.714 2.966 0 40 DFAB Cc1ncsc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 192046694 WFTROYVQWYWIIR-CXAGYDPISA-N 318.442 2.811 0 40 DFAB CC(C)NCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 193526834 TZYPLWQAUDXOQG-HUUCEWRRSA-N 300.805 2.897 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](CO)[C@@H]2c2cccc(F)c2)cc1 218571200 UPITURDJJDGSDJ-IKGGRYGDSA-N 320.385 2.682 0 40 DFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C 222680711 LDAOKXWMBVQLHU-LLVKDONJSA-N 308.403 2.948 0 40 DFAB Cc1ccccc1C[C@@H](C(=O)O)N1CCN(c2ccccc2)CC1 225140878 VEQWZMVNHDKMEQ-IBGZPJMESA-N 324.424 2.813 0 40 DFAB Cc1cc2c(=O)[nH]c(-c3ccnc(OC(F)F)c3)nc2s1 225746610 VJIPZWWDTBWGJU-UHFFFAOYSA-N 309.297 2.956 0 40 DFAB FC(F)COc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 252486584 LWZRFOSBIHKTHV-DAXOMENPSA-N 324.371 2.773 0 40 DFAB CCCOC1CCN(C(=O)Cc2c(C)nc3ccccn23)CC1 257232945 GNBKRKNMGVOAGD-UHFFFAOYSA-N 315.417 2.603 0 40 DFAB Cc1cccnc1N(C)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 279328099 DWKYXJFWMAWIRK-LSDHHAIUSA-N 324.380 2.928 0 40 DFAB c1nc(Nc2ccc3c(c2)OCCO3)c2ncn(C3CC3)c2n1 292365470 GDSKROFRVVDWTF-UHFFFAOYSA-N 309.329 2.676 0 40 DFAB O=C(N[C@H]1CC=CCC1)N1CCC[C@](O)(C(F)(F)F)CC1 332289988 JJCBPNHFUCWVBS-WCQYABFASA-N 306.328 2.584 0 40 DFAB CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1CO 526059844 VARLZNMGPQHILF-NSHDSACASA-N 302.374 2.822 0 40 DFAB Cc1cnc(N2CCC[C@@H]2c2nc(C(=O)O)c(C)s2)nc1C 573448982 LUVVNJHFMBLFOE-LLVKDONJSA-N 318.402 2.898 0 40 DFAB CC(C)(C)c1nc2cc(NC(=O)NC[C@@H]3COCO3)ccc2o1 583651498 OBEVWFIYGMUREF-LLVKDONJSA-N 319.361 2.620 0 40 DFAB Cc1nsc(N2CCC(N3CCc4sccc4C3)CC2)n1 1776000444 CEWHSAYGDIOLFI-UHFFFAOYSA-N 320.487 2.935 0 40 DFAB CN(C)C(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45419 OIBNJKYCNNROGB-LLVKDONJSA-N 310.659 2.599 0 40 DFAB CCCC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 557548 HUJYFSZOIXOZLB-UHFFFAOYSA-N 305.403 2.872 0 40 DFAB CCCn1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1=O 47185663 IQLJRUDSSKFVFH-UHFFFAOYSA-N 309.369 2.921 0 40 DFAB Oc1nc(Cc2ccccc2)nc2c1nnn2Cc1ccccc1 12376600 BHRBEXROVFSTQL-UHFFFAOYSA-N 317.352 2.566 0 40 DFAB Cc1cccc2ncnc(N3CCN([C@@H]4CCSC4)CC3)c12 79076584 QOXHGQSEGJFREA-CQSZACIVSA-N 314.458 2.566 0 40 DFAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)[nH]n1 54058952 UNGKSPIURTWDPA-UHFFFAOYSA-N 310.357 2.879 0 40 DFAB COC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 12421821 MYUJYCFNCZKLKC-UHFFFAOYSA-N 322.320 2.567 0 40 DFAB biogenic C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)c1cccs1 97017913 JHEIDPNAGHPDMK-FZMZJTMJSA-N 315.394 2.890 0 40 DFAB O=C(Nc1ccncc1)c1cccn(Cc2ccccc2)c1=O 3111119 HKQKEVKDMJHGAB-UHFFFAOYSA-N 305.337 2.544 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 97039570 ABKHRKCXHVCDCW-CYBMUJFWSA-N 319.405 2.715 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@@H](C)COc1ccc(F)cc1F 55697778 HVYQKSWMUGYJOT-VIFPVBQESA-N 324.327 2.696 0 40 DFAB C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1ccnc1 56484182 NWWBSWXJBFRJJI-UHOFOFEASA-N 317.364 2.620 0 40 DFAB CCO[C@H](CC)C(=O)NCc1cccc(N2CCCCC2=O)c1 57266210 BLOYPVMIAZPAOW-MRXNPFEDSA-N 318.417 2.635 0 40 DFAB C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)C2CCC2)C1 72291728 LBELUESFRMEJJS-TZMCWYRMSA-N 309.454 2.511 0 40 DFAB CC(C)(C)[C@@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2nnc[nH]2)no1 108491742 GRXKYMHHSPESTM-YFKTTZPYSA-N 316.409 2.720 0 40 DFAB COc1cc2s/c(=N\C(=O)C(C)(C)C)n(C)c2cc1OC 101035718 RGOQEZHLWLEVMJ-PEZBUJJGSA-N 308.403 2.730 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)O 3223711 NQIBXYDFKGIEAC-KXKDPZRNSA-N 313.328 2.651 0 40 DFAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NC1CC1 3247964 ZYBQOOOQMHRKET-UHFFFAOYSA-N 324.380 2.549 0 40 DFAB CCOc1ncccc1NC(=O)Nc1cccnc1OCC 58018622 XUHNRSOJBDQFTA-UHFFFAOYSA-N 302.334 2.918 0 40 DFAB CCn1cc(Br)cc1C(=O)N1[C@H](C)COC[C@H]1C 72293408 XYKFAGZUHVOIDO-NXEZZACHSA-N 315.211 2.520 0 40 DFAB C[C@H](C(=O)NCc1ccccc1Oc1ccccc1)n1cncn1 58267089 YYHDMYMQEDBBPN-CQSZACIVSA-N 322.368 2.948 0 40 DFAB Cc1[nH]c(SCCN2CCOC2=O)nc1Cc1ccccc1 28187125 KGPSALLSDSRQKS-UHFFFAOYSA-N 317.414 2.853 0 40 DFAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](N2CCCC2)C1 58918864 IBMLEDGXWJNSKY-KRWDZBQOSA-N 316.445 2.769 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2F)n1 97114335 CPZOVGYFLGWPSN-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB CNC(=O)c1ccc(NC(=O)NC2Cc3ccccc3C2)c(C)c1 97140873 IBURHYLIJJWHOZ-UHFFFAOYSA-N 323.396 2.644 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1cc[nH]n1 48326761 ISVCFONQYDCWQU-ZDUSSCGKSA-N 302.378 2.824 0 40 DFAB CC(=O)N1CCc2cc(C(=O)NCCc3cccc(C)c3)ccc21 60323499 KVMZSGAZCSWMAY-UHFFFAOYSA-N 322.408 2.877 0 40 DFAB CCN(CC)CCC[C@H](C)NC(=O)c1csc(COC)n1 60453429 JCXCZPSDQZUTSJ-LBPRGKRZSA-N 313.467 2.530 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3405241 KJHWMYKKONDVNH-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C(Nc1cccc2cccnc12)C1CCN(C(=O)C2CC2)CC1 12941939 FDQJOQOXEHKFNR-UHFFFAOYSA-N 323.396 2.822 0 40 DFAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(-n2cncn2)cc1 12974659 HAZVJMSJQZYGJQ-CQSZACIVSA-N 322.368 2.524 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 13002436 UYXALTMZIKDTPW-UHFFFAOYSA-N 322.162 2.988 0 40 DFAB O=C(NCCSc1ccccc1F)N[C@H]1C[C@H]2CC[C@H]1O2 110681462 LQPKTYABWZFFNM-KGYLQXTDSA-N 310.394 2.537 0 40 DFAB CCN(CC)C(=O)[C@@H](C)N1C(=O)c2cccc3cccc(c23)C1=O 4159803 BDLBNEFRESKIBJ-GFCCVEGCSA-N 324.380 2.693 0 40 DFAB CCn1cnnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 65287875 AQMJEJCIYRYWNO-INIZCTEOSA-N 312.417 2.637 0 40 DFAB C[C@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)S(C)(=O)=O 65515234 WWTMIPOUCIHUNI-GFCCVEGCSA-N 324.446 2.803 0 40 DFAB CN1CCC[C@@H]1CNC(=O)CCCOc1ccc(Cl)cc1 65516369 QWECPHWINFICFJ-CQSZACIVSA-N 310.825 2.709 0 40 DFAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccn1 65541717 RMHIRHGWUQYURL-LLVKDONJSA-N 306.312 2.786 0 40 DFAB Cc1ccc(OCCOC(=O)[C@H]2COc3ccccc3O2)cc1 6426849 DDEYDTLGQJZMEP-QGZVFWFLSA-N 314.337 2.757 0 40 DFAB Cc1noc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n1 65607343 XITZXJCLWHYRQA-QMMMGPOBSA-N 313.279 2.817 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 14785819 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71836803 WWFPUAGTCNZWSE-CYBMUJFWSA-N 314.385 2.559 0 40 DFAB O=C(Nc1ccc2c(c1)COC2)c1cccc(N2CCOC2=O)c1 91671916 DLHLWTMVAMYMSZ-UHFFFAOYSA-N 324.336 2.926 0 40 DFAB O[C@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccccc1Cl 71876378 PPKDNZKIKQPUHJ-CZUORRHYSA-N 320.824 2.520 0 40 DFAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(F)cc2)c1 17335212 ZPHYHUAIXDTWEZ-UHFFFAOYSA-N 307.346 2.623 0 40 DFAB c1ccc(CCn2cnnc2SC[C@H]2CCCCO2)nc1 71893977 YVYQDCFKUNATES-CQSZACIVSA-N 304.419 2.577 0 40 DFAB CCOc1ccc(NC(=O)N[C@@H](C)c2nc(C)no2)cc1C 69651969 IMVMCJNLXNMIJS-JTQLQIEISA-N 304.350 2.968 0 40 DFAB Cc1ccc(OC2CCN(C(=O)c3csnn3)CC2)cc1C 71821172 AHWFBAOVBANGIU-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB O=C(Cn1cccn1)N(CCc1ccccc1)Cc1ccncc1 71853305 VFHHYPRDPDQPOP-UHFFFAOYSA-N 320.396 2.550 0 40 DFAB Cn1cc([C@@H]2CCCN2CC(=O)NCCC2=CCCCC2)cn1 69779180 CVJXKBKGGPJHPN-KRWDZBQOSA-N 316.449 2.564 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOc1ccc(F)cc1 69983056 QLWASTUMNLWALK-MSOLQXFVSA-N 320.408 2.680 0 40 DFAB 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2.700 0 40 DFAB Cc1cc(C)c2c(OCC(=O)N(C(C)C)C(C)C)nn(C)c2n1 78612157 BIWYNEWRYGXJHE-UHFFFAOYSA-N 318.421 2.609 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(=O)CC2)cc1 2527224 GECAEFBIYFYECB-UHFFFAOYSA-N 318.373 2.839 0 40 DFAB CCCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 4328767 JAKYKZMJFZRIKO-UHFFFAOYSA-N 310.810 2.586 0 40 DFAB O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4386128 HCPVRENOBXLPIP-MISXGVKJSA-N 301.415 2.960 0 40 DFAB CC(C)[C@H](C)NC(=O)COc1ncnc2sc3c(c12)CCC3 6201145 XKHMQOGQRDZMOP-JTQLQIEISA-N 319.430 2.720 0 40 DFAB Cc1ccc(CSCCNC(=O)c2cnn(C)c2C)cc1 54459419 NBHYLUVJDWMSPV-UHFFFAOYSA-N 303.431 2.700 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(F)cc1F 8034159 BQAHNMZAPXXJKL-UHFFFAOYSA-N 321.279 2.803 0 40 DFAB C[C@@H](NC(=O)N1CCN(Cc2ccco2)CC1)c1cccs1 43290925 FHULHCRUPNDJNO-CYBMUJFWSA-N 319.430 2.930 0 40 DFAB CC(C)[C@@H](NC(=O)NCCn1ccnn1)c1ccccc1Cl 97082906 LFNNBBKDFCMEKH-CQSZACIVSA-N 321.812 2.628 0 40 DFAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 55674925 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CC(C)N(Cc1cnn(C)c1)C(=O)CNc1ccccc1Cl 58341297 SWTJWVGJGNBHJQ-UHFFFAOYSA-N 320.824 2.923 0 40 DFAB O=C(Nc1nc(-c2ccncc2)ns1)c1ccc2[nH]cnc2c1 97108306 VHFFSLLOAWTELH-UHFFFAOYSA-N 322.353 2.729 0 40 DFAB CC(=O)c1ccc(N(C)C)cc1OCc1cccc(C(N)=O)c1 97114905 PSPKCURKHCVNNV-UHFFFAOYSA-N 312.369 2.633 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1 3388126 OIRMYHDRZFWNHP-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CCCn1nc(C(=O)N(CC)c2cc(C)cc(C)c2)ccc1=O 58713839 CZSJUEVKNTUAPH-UHFFFAOYSA-N 313.401 2.937 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCc2csc(C)n2)on1 45343878 HBSWVLWESCNKMZ-LBPRGKRZSA-N 306.391 2.795 0 40 DFAB COc1ccc([C@@H](NC(=O)N2CCO[C@@H](C)C2)C2CC2)cc1 45316705 SZIZOVPXELNENE-LRDDRELGSA-N 304.390 2.577 0 40 DFAB Cc1nc2ncc(C(=O)N(C[C@H]3CCCCO3)C(C)C)cc2[nH]1 97109000 RWNGBJIYHMVBJD-CQSZACIVSA-N 316.405 2.686 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(F)c2)n1 11171871 QPMGSCCFXCGUNS-UHFFFAOYSA-N 322.361 2.949 0 40 DFAB Cc1n[nH]cc1CNC1CCN(Cc2ccc(F)cc2)CC1 97159465 DBHUSDFSQQXJKW-UHFFFAOYSA-N 302.397 2.611 0 40 DFAB COc1ccc(-c2nc(CN3CCC(CO)CC3)co2)cc1 46091165 CXWQZXGHNOTPQY-UHFFFAOYSA-N 302.374 2.555 0 40 DFAB CCc1nn(C)cc1CNC(=O)NC[C@H](C)c1ccsc1 93128820 BHNFKRNQZGWJGK-NSHDSACASA-N 306.435 2.647 0 40 DFAB CCCCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1 9191718 GHLKQSSNZMCTID-UHFFFAOYSA-N 306.391 2.714 0 40 DFAB COc1cc(OC)c(C(=O)NC(C2CC2)C2CC2)cc1OC 39547681 YDIRQJRSTZJYGV-UHFFFAOYSA-N 305.374 2.631 0 40 DFAB O=C(COc1ccc(F)cc1F)Nc1cccc(CCCO)c1 96005796 GBWRAJUUIRMSTF-UHFFFAOYSA-N 321.323 2.907 0 40 DFAB CNC(=O)CC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 93588011 MLHVBPBFTCKVAE-UHFFFAOYSA-N 316.445 2.748 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(N)c2C)cc1 19736295 FFUBPRGHMZNPHE-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB CC(C)Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1 13947778 DNJUNYPVBZQAGJ-UHFFFAOYSA-N 304.415 2.759 0 40 DFAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 13938120 LRYVWAYRMRPENP-SNVBAGLBSA-N 319.411 2.731 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCCc2ccccc21 65521477 UXDCFTSKUCZVBL-QRTARXTBSA-N 303.402 2.764 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[nH]2)cc1 14168479 CQLGIZKSZDQFPF-UHFFFAOYSA-N 305.341 2.608 0 40 DFAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCN2CCCC[C@H]12 65623228 BMTNNKLDTQJEBT-RTBURBONSA-N 323.440 2.763 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)C2(CCCCC2)O1 5447853 XHYDMILVZVIZTL-ZDUSSCGKSA-N 317.341 2.589 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCCCCCC2)c1C 6510255 VEPUAUYMRBTHIR-UHFFFAOYSA-N 306.406 2.867 0 40 DFAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1noc(C2CC2)n1 84593169 VMGCYKFNDAISQH-ZDUSSCGKSA-N 323.356 2.801 0 40 DFAB COc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 5704774 QDSIXDXEVZRJSC-OAHLLOKOSA-N 314.385 2.855 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 6851950 JCYBKORAPGCNSQ-RMKNXTFCSA-N 307.396 2.804 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2s1 15028252 CAVSHCXJQCUHPC-HNNXBMFYSA-N 323.421 2.709 0 40 DFAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(-n2cncn2)cc1 25092771 LUDNYCVRUNBNJL-AWEZNQCLSA-N 321.384 2.828 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(F)c2)c1 67010509 UEZFCGNEKZKFRW-LBPRGKRZSA-N 322.405 2.585 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COc2ncnc3ccccc23)[C@@H]1C 4979806 NUWOTKGLWCBUMB-UMVBOHGHSA-N 313.401 2.950 0 40 DFAB CCCc1noc(CNc2ccc(N3CCCC3=O)c(F)c2)n1 95395542 USZGHEGVNNEEQH-UHFFFAOYSA-N 318.352 2.900 0 40 DFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCCC1 15593290 PYMYGZCJOMCSOJ-UHFFFAOYSA-N 308.809 2.909 0 40 DFAB CC[C@H]1CCCN(C(=O)Nc2c(N(C)C)ccnc2OC)C1 95466920 MFSNHEPAAKRQJP-LBPRGKRZSA-N 306.410 2.810 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)s1 67811930 NKYRJFOMIACZTJ-VXGBXAGGSA-N 301.367 2.821 0 40 DFAB C[C@@H]1c2c(F)cccc2CCN1C(=O)CCOC1CCOCC1 95409507 FFLOMQBBJNGLBK-CYBMUJFWSA-N 321.392 2.857 0 40 DFAB O=c1oc(-c2ccco2)nn1Cc1csc(-c2ccoc2)n1 71888016 SYPSJNNEHRMWLP-UHFFFAOYSA-N 315.310 2.861 0 40 DFAB COC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCC2 16206369 DEPAVSOYGAEYBK-NSHDSACASA-N 313.353 2.832 0 40 DFAB COC(=O)c1cc(OC)ccc1OCc1nc(C(C)C)no1 71822603 FBMPGYRNRDMSFG-UHFFFAOYSA-N 306.318 2.567 0 40 DFAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCN(C)C(=O)C2)cc1C 71830027 KXTKSOKBGMDZNO-IRXDYDNUSA-N 314.429 2.835 0 40 DFAB COc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cn1 16699204 GLIQZGOQMKTRMV-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB CC(=O)N(C)c1nc(/C=C2/C(=O)Oc3ccccc32)cs1 84671293 NPPVAWOCVRKNIZ-KPKJPENVSA-N 300.339 2.585 0 40 DFAB Cc1n[nH]cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 69351707 GBENNTDYDKBRLQ-AWEZNQCLSA-N 316.380 2.708 0 40 DFAB O=C(CNC(=O)c1cccs1)Nc1cccc2ncccc12 8395135 IQCXNRPIJBPYMI-UHFFFAOYSA-N 311.366 2.665 0 40 DFAB COc1ccccc1CN(Cc1ncc[nH]1)C[C@H]1CCCO1 71908298 GCGNFBFYIMLKNH-OAHLLOKOSA-N 301.390 2.600 0 40 DFAB CSc1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cn1 69516119 YQJQSMUKTLCWAW-VIFPVBQESA-N 311.407 2.655 0 40 DFAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc2nc[nH]c(=O)c2c1 87209556 NYKADNCBMPGQSR-GFCCVEGCSA-N 317.389 2.703 0 40 DFAB O=C(Nc1cnn(CC2CC2)c1)N1CCCC[C@@H]1c1ncc[nH]1 88391829 CPWJPLLNVVMFCZ-CQSZACIVSA-N 314.393 2.775 0 40 DFAB FC(F)(F)c1nc(Cl)ncc1I 95761845 FNLLTDZRPSTSMA-UHFFFAOYSA-N 308.428 2.753 0 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O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@@H]1CC=CCC1 225807312 UQWXEPSEEAOMNH-SNVBAGLBSA-N 324.306 2.721 0 40 DFAB COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)cc1F 225785949 HPGGZECWTPGPBB-HNNXBMFYSA-N 315.344 2.706 0 40 DFAB CC(C)c1ccc(CS(=O)(=O)NC(=O)Cc2ccoc2)cc1 195580530 TWSRPRFYAQBTMS-UHFFFAOYSA-N 321.398 2.592 0 40 DFAB FC(F)Oc1cccc([C@@H]2CN(C[C@@H]3CCOC3)CCO2)c1 195546397 FCWTURLUCOCMHD-WFASDCNBSA-N 313.344 2.698 0 40 DFAB CCCNC(=O)c1cc2nc(C(=O)O)n(C3CC3)c2cc1Cl 225731511 SNLUVNUCPFTRIW-UHFFFAOYSA-N 321.764 2.863 0 40 DFAB Fc1ccccc1CNc1ncnc2c1cnn2-c1ccccn1 41529419 ZPLPPASDTJXUMY-UHFFFAOYSA-N 320.331 2.962 0 40 DFAB COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2C)ccc1O 48056979 JSXUEXXHGHIYCK-UHFFFAOYSA-N 314.293 2.894 0 40 DFAB CN(Cc1ccc(OCc2ccc(F)cc2)cc1)S(C)(=O)=O 193619031 IZODCICXSGOJET-UHFFFAOYSA-N 323.389 2.796 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H]2CCOC2)s1 96439424 GWUIUFGUJVRDHX-NEPJUHHUSA-N 311.451 2.753 0 40 DFAB CC1(C)CCCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 96423516 OTLKVKYQPGOOJH-UHFFFAOYSA-N 302.374 2.670 0 40 DFAB COc1ccc(C[C@H]2CN(c3ncccn3)CC[C@@H]2OC)cc1 96110553 LFZCGBWQHOGJSL-RDJZCZTQSA-N 313.401 2.569 0 40 DFAB CCCN1CCC2(CC1)CN(Cc1cccc(OC)c1)CCO2 96158872 PPEPIZYXOLJXFU-UHFFFAOYSA-N 318.461 2.772 0 40 DFAB CCOC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)N1C 96207000 ZFDBFUZZEGRUJV-KRWDZBQOSA-N 303.450 2.547 0 40 DFAB CC[C@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@H](CC)O1 333532366 MJXCTROCGLCIBY-STQMWFEESA-N 321.421 2.652 0 40 DFAB COc1ccc(CC(=O)N2CCC3(CC2)CC(N(C)C)C3)cc1 96159211 RKQJIXVGFYDOFT-UHFFFAOYSA-N 316.445 2.571 0 40 DFAB C[C@@H](O)C[C@@H](CNC(=O)c1ccc(O)cc1F)c1ccccc1 97232591 MOEKMTHQYBUUFN-OCCSQVGLSA-N 317.360 2.816 0 40 DFAB CSc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1 96122772 AOAMEHWNTSERQZ-UHFFFAOYSA-N 313.426 2.716 0 40 DFAB Cc1ccccc1CN(C)C(=O)CNC(C)(C)c1nccs1 96443381 NQCQALZZWWJODL-UHFFFAOYSA-N 317.458 2.935 0 40 DFAB O=C(CC1(n2cccc2)CCCCC1)NCCCn1ccnc1 95480318 HTKTXKVONQNHCR-UHFFFAOYSA-N 314.433 2.941 0 40 DFAB COC(=O)CC(C)(C)CC(=O)N1CCCc2ccccc2C1 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307.353 2.811 0 40 DFAB CCOC(=O)c1nc(CN2CCOc3ccccc32)cs1 48365832 NRPVAPYWLLEANY-UHFFFAOYSA-N 304.371 2.719 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)C1 40526839 CQSDTKVPPJWKOH-TUAOUCFPSA-N 317.389 2.916 0 40 DFAB Cc1csc([C@H]2CN(Cc3nnsc3Cl)CCO2)n1 97199617 ZYAYSKHABYWYLF-SECBINFHSA-N 316.839 2.530 0 40 DFAB COC1(CNC(=O)CSC2CCCC2)CCSCC1 240067791 SBXJIGYBCPLQCV-UHFFFAOYSA-N 303.493 2.691 0 40 DFAB Cc1cccc(C(=O)N[C@H](c2n[nH]c(=S)n2C)C(C)C)c1 5519714 XFOSKHHPQFBVCH-LBPRGKRZSA-N 304.419 2.913 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)c1[nH]nc(-c2cccs2)c1C 12147250 UOWPRZFJWIUKSZ-UHFFFAOYSA-N 315.402 2.717 0 40 DFAB O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccncc1 13154282 QCTWLWAZPOQXEK-IBGZPJMESA-N 302.333 2.935 0 40 DFAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)C 13709554 QWBQKIXLKWMAMW-AWEZNQCLSA-N 300.402 2.675 0 40 DFAB COc1ccc(C2=N[C@@H](CO)[C@@H](c3ccccc3)O2)cc1OC 16957865 VVQQEIOHGUNKLA-WMLDXEAASA-N 313.353 2.583 0 40 DFAB COc1ccc(/C=C2\C(=O)NC(=O)c3ccccc32)cc1OC 18118640 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2.762 0 40 DFAB C[C@H]1C[C@H](C)CN(C[C@H](O)Cn2cc(C=O)c3ccccc32)C1 4820823 BQTCNQYCRFWEKT-ZOBUZTSGSA-N 314.429 2.793 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccco2)c1 24958807 JMIBXZKKCYDVNI-KGLIPLIRSA-N 314.385 2.892 0 40 DFAB Cc1nc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 43327507 KXNWNEULZYDEOR-LBPRGKRZSA-N 311.451 2.941 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2ccccc2C)CC1 9062929 KQMYEPMLBGZWSU-UHFFFAOYSA-N 318.461 2.750 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9236855 YAVAVLAGHIVIEV-IOASZLSFSA-N 318.392 2.874 0 40 DFAB Cc1oc(C)c(C(=O)NCc2ccccc2Cn2cncn2)c1C 43772211 XOMYYDJIDYVKQH-UHFFFAOYSA-N 324.384 2.775 0 40 DFAB NNc1nc2c(OC(F)F)cc(Br)cc2s1 57328249 OMRDVVJCBHXYFR-UHFFFAOYSA-N 310.123 2.946 0 40 DFAB Cc1ccc(CCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 44405930 ISKIMJBTMUWPEX-GOSISDBHSA-N 310.397 2.661 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccnc(Cl)c1)c1cccs1 27680241 LCTLMYYVQYYULV-LLVKDONJSA-N 309.822 2.829 0 40 DFAB Cn1cccc1[C@H]1CCCN1C(=O)NCc1cn2ccccc2n1 58268711 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310.375 2.608 0 40 DFAB CCOc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 69489430 CQZDOTGSXOMFPC-SJORKVTESA-N 302.418 2.784 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n1 72235639 QCPHTDXGEZAKGA-WMZOPIPTSA-N 324.428 2.788 0 40 DFAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1 8619780 YRUNVDQFBNTJJU-UHFFFAOYSA-N 321.380 2.974 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2[nH]cnc2c1 69808008 WEEHBWVDCNSFJV-SJORKVTESA-N 312.417 2.652 0 40 DFAB CC(C)c1nccn1[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 69951701 USDZCEVANCWRAK-GJZGRUSLSA-N 305.422 2.739 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)C2 97236522 MWZDFDKBTYQIHE-SCLBCKFNSA-N 302.418 2.603 0 40 DFAB CC[C@H](NC(=O)Nc1ccc(OC)c(C)c1)c1noc(C)n1 84734875 XANBLGLUHXPTTN-LBPRGKRZSA-N 304.350 2.968 0 40 DFAB CC(C)n1cc(C(=O)NCc2ccccn2)c2ccccc2c1=O 72403771 IRESGMZDBNJTPL-UHFFFAOYSA-N 321.380 2.907 0 40 DFAB CCc1ccc([C@@H](C)NC[C@@]2(N3CCOCC3)CCSC2)o1 95420917 MJXNQNMNWAKYRJ-PBHICJAKSA-N 324.490 2.701 0 40 DFAB CCN(C)C(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 95996881 OPIOVGZQLALMAH-MRVPVSSYSA-N 306.332 2.785 0 40 DFAB Cc1cc(NC(=O)Cc2ccn[nH]2)ccc1C(=O)OC(C)(C)C 95977218 RXMIYXKXNRKATI-UHFFFAOYSA-N 315.373 2.855 0 40 DFAB CCC1(CC)[C@H](NC2CCN(c3ncccn3)CC2)C[C@H]1OC 95987797 GSEKDAUJHZEXFC-HZPDHXFCSA-N 318.465 2.629 0 40 DFAB C[C@H](CC(=O)N[C@@H](CC(=O)O)c1ccccc1)n1cccc1 95948415 JEYMXDJUHGXOPN-HIFRSBDPSA-N 300.358 2.771 0 40 DFAB O=S(=O)(Nc1cccc2c[nH]nc12)c1cccc2cccnc12 75140021 XSWRCERZAIPYDS-UHFFFAOYSA-N 324.365 2.912 0 40 DFAB CC(=O)NCCCS[C@H]1CCCN(c2ccc(C)cc2)C1=O 89633429 FUEYQZVOSFGFFO-INIZCTEOSA-N 320.458 2.750 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc43)C2)n[nH]1 76059832 PPGFKCLCXXKNGR-HIFRSBDPSA-N 311.385 2.600 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1COc2ccccc21 76086497 ILWIFZDEEYPMHA-BBRMVZONSA-N 313.401 2.779 0 40 DFAB CN(C)c1ccnc(CNC(=O)N[C@@H]2CC23CCCCC3)c1 1548454004 TXESVPVYPNMRRA-OAHLLOKOSA-N 302.422 2.670 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408656890 HUOCUHCPAACZKO-NWINYUPESA-N 305.761 2.785 0 40 DFAB COC(=O)c1ccc(CSc2nc(C)nc(C)c2C(C)=O)o1 120086331 VINVRANTRRMNRY-UHFFFAOYSA-N 320.370 2.968 0 40 DFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203378 SOWVRIADORWMIL-ZDUSSCGKSA-N 307.394 2.872 0 40 DFAB COc1ccc(-c2noc(-c3ccc(CNC(C)=O)o3)n2)cc1 78774146 KZBJDPFJWXCFNQ-UHFFFAOYSA-N 313.313 2.641 0 40 DFAB O=C1CCCN1[C@@H]1CCCN(CCOC2CCCCCC2)C1 77286439 ONCYSTSSUTYLLY-MRXNPFEDSA-N 308.466 2.813 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(N)c1 216934299 HAIFUDDDUCGUBP-UHFFFAOYSA-N 310.350 2.607 0 40 DFAB CC(C)c1nnc(CN2CCCc3c(C(=O)O)cccc32)n1C 568977453 BATTVWRCRJNAFX-UHFFFAOYSA-N 314.389 2.590 0 40 DFAB Cc1cc(F)ccc1[C@@H](O)Cn1nnc(-c2ccsc2)n1 225708995 WNFPZBQKTFVKJS-ZDUSSCGKSA-N 304.350 2.583 0 40 DFAB CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227153143 YQJASFSHNOOVNK-UHFFFAOYSA-N 307.781 2.819 0 40 DFAB COc1ccccc1C[C@H](Oc1ccccc1OC)C(=O)O 225097194 DHJDRWZACFKFOY-INIZCTEOSA-N 302.326 2.779 0 40 DFAB CC[C@H]1CCCCN1c1ccnc(N2CCC(C(=O)O)CC2)n1 44845784 PHGDJDCBDFVEPB-AWEZNQCLSA-N 318.421 2.547 0 40 DFAB CCCNC(=S)Nc1nc(OC)cc(N2CCCCCC2)n1 225884544 XNKMQIXWANFUNN-UHFFFAOYSA-N 323.466 2.562 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 45954076 MFBFGVVJDBSJPM-CQSZACIVSA-N 316.401 2.593 0 40 DFAB COc1ccccc1NC(=O)NCCCN1CCC[C@@H](C)C1 43135673 ZALNJEFQBPSKKD-CQSZACIVSA-N 305.422 2.939 0 40 DFAB C[C@]1(C(=O)N2CCC[C@H](CCC(=O)O)C2)CC1(Cl)Cl 195552094 ZYCDIUQHIIYFLO-BXKDBHETSA-N 308.205 2.674 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 226390412 HFWAHWIOXYPHKM-DFYGGBHCSA-N 322.408 2.726 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)nn2)CC1 40434776 UFLIJPWTCOFGSE-UHFFFAOYSA-N 312.801 2.941 0 40 DFAB COC[C@@H]1CC2(CCN(c3nnc(C)s3)CC2)CN1C(C)C 96215288 VINDQHYYAZCMQS-AWEZNQCLSA-N 324.494 2.562 0 40 DFAB O=C(NCc1cccc(Cl)c1)NC[C@H](O)c1ccsc1 96417598 RQIVKMIMAAJMJS-ZDUSSCGKSA-N 310.806 2.934 0 40 DFAB CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(C(N)=O)o1 96474251 PVOPCBUETAZRLM-CYBMUJFWSA-N 321.421 2.879 0 40 DFAB CO[C@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 95942461 QNAATGUUOVFIKV-MNOVXSKESA-N 301.383 2.700 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)Nc2cccnc2)C1 96193115 VCDQXPUONWKCAK-KRWDZBQOSA-N 311.341 2.612 0 40 DFAB Cc1ccc(NCc2cnn(C)c2)c(OC[C@@H]2CCCO2)c1 95428590 PBTOJOXUPZPNDC-HNNXBMFYSA-N 301.390 2.898 0 40 DFAB C/C=C/C=C/C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 96451569 TYNQCMPCIZLIQO-LLYAYHKCSA-N 312.413 2.787 0 40 DFAB Cc1nc(-c2cccc(C(=O)NC(C)(C)C(=O)O)c2)cs1 96479942 LCBRXHRUXFWJEX-UHFFFAOYSA-N 304.371 2.712 0 40 DFAB NC(=O)[C@@H](NCC1CCC1)c1ccc(Br)cc1F 96436948 VOMVKPVRUYNURT-LBPRGKRZSA-N 315.186 2.504 0 40 DFAB Cc1cc(C)nc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 96453949 SAVJGTDDYDZHDD-CYBMUJFWSA-N 306.410 2.539 0 40 DFAB CO[C@@H]1CCN(CCc2ccccc2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108564 IOILFHJIVIUDHI-XUVXKRRUSA-N 314.473 2.660 0 40 DFAB Cc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)cc1 257220314 DKJASUNXGNGEEC-HKUYNNGSSA-N 316.445 2.849 0 40 DFAB Cn1nccc1-c1cncc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257343426 ZSZKIQPOFUCLDD-OAHLLOKOSA-N 313.405 2.587 0 40 DFAB Cc1nc(CN2CC3(CO[C@H](Cc4ccc(F)cc4)C3)C2)co1 257232179 GJSRFALDDNQIJD-QGZVFWFLSA-N 316.376 2.956 0 40 DFAB CCc1ncc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)s1 68425656 URVCFYVDMPDDKX-LLVKDONJSA-N 310.806 2.822 0 40 DFAB COCC[C@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 69483716 VCCMVLMTDCUPLV-XJKSGUPXSA-N 322.405 2.791 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N1Cc2ccccc2C1 71879865 WYZGMWCICZEIGM-UONOGXRCSA-N 315.417 2.501 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 72298673 HPWKGJGVRIYACP-CQSZACIVSA-N 318.446 2.524 0 40 DFAB O=C1CN(c2cc(C3CCC3)ncn2)CCN1Cc1ccccc1 1167111006 UZQKZNYILOXZSV-UHFFFAOYSA-N 322.412 2.593 0 40 DFAB Cc1cc(OCC2CCN(C[C@H]3CCCOC3)CC2)ccn1 1775995533 DNKGLXUGENECMX-QGZVFWFLSA-N 304.434 2.907 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)OCCc2cccs2)cc1 49417307 BSARWAAWHDXIMV-UHFFFAOYSA-N 310.396 2.551 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3scnc3C)C2)cc1 1615192832 YISIQFHQJGUIAO-QGZVFWFLSA-N 318.442 2.776 0 40 DFAB c1ccc2c(c1)nnn2-c1ccnc(-n2nnc3ccccc32)c1 5338708 FEMGCBQIGHKBFQ-UHFFFAOYSA-N 313.324 2.549 0 40 DFAB CCc1c(C)nc(SCC(=O)Nc2cccc(F)c2)[nH]c1=O 5021631 QWZORMNXNPXHQE-UHFFFAOYSA-N 321.377 2.511 0 40 DFAB C[C@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H](C)O1 12145532 PWZCPOHJXVLTNJ-QWRGUYRKSA-N 304.321 2.730 0 40 DFAB Nc1nonc1N[C@@H]1CC(=O)C[C@@H](c2cccc(Cl)c2)C1 19974044 DANROOBXKHBTGW-ONGXEEELSA-N 306.753 2.623 0 40 DFAB Cc1cc(NC2CCN(Cc3ccccc3)CC2)n2ncnc2n1 35311017 JBZIGUMTFDLPHS-UHFFFAOYSA-N 322.416 2.509 0 40 DFAB COc1ccc(Br)cc1CNC1CCOCC1 36319319 JCSTTZUSIRRZHN-UHFFFAOYSA-N 300.196 2.726 0 40 DFAB CCC(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 2647860 JYVYSRNKQSEZEJ-UHFFFAOYSA-N 309.362 2.865 0 40 DFAB O=C(COC(=O)c1ccc(O)cc1)NCc1ccc(Cl)cc1 3224935 XWCJZPNTDAYNOJ-UHFFFAOYSA-N 319.744 2.519 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6230618 HDUJUNOMQZLSAO-UHFFFAOYSA-N 303.383 2.710 0 40 DFAB c1cnc2ncnc(N3CCC(c4nnc(C5CC5)o4)CC3)c2c1 1888898036 SOZQPHYBNCBUJN-UHFFFAOYSA-N 322.372 2.669 0 40 DFAB CN1CCc2nc(NC(=O)CCc3cccs3)sc2C1 23608429 NZDDPOSRRQRZFZ-UHFFFAOYSA-N 307.444 2.764 0 40 DFAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21 8840762 RXDMLUBNKJPAFP-UHFFFAOYSA-N 324.446 2.916 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CC(=O)N2C 17136067 JIUBODMAUOPADV-UHFFFAOYSA-N 310.353 2.531 0 40 DFAB Brc1ccc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)nc1 2298042579 VESZCGDFKIAEBP-TXEJJXNPSA-N 322.250 2.765 0 40 DFAB CC(=O)Nc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1Cl 100086213 GVHBENPOFSTJLI-TXEJJXNPSA-N 320.776 2.978 0 40 DFAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCCN(C)CC2)cc1 40161239 CMXSUAGHADDHIK-HNNXBMFYSA-N 303.450 2.775 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 43070 HXVQSHWLXZWRPX-NSHDSACASA-N 316.307 2.956 0 40 DFAB COc1ncccc1C(=O)OCC(=O)c1c[nH]c2ccccc12 31481148 WRPGNSDAZFBAHX-UHFFFAOYSA-N 310.309 2.611 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 40510157 QCTUJIAYLALWJE-RKDXNWHRSA-N 312.822 2.590 0 40 DFAB CCN(Cc1noc(-c2cccc(C)c2)n1)C[C@@H]1CCOC1 52072061 RCGZLLHBDOHUHG-AWEZNQCLSA-N 301.390 2.903 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](c2c(F)cccc2F)NC(=O)N1C 350471 WDRMFFRWHVOYLP-AWEZNQCLSA-N 324.327 2.887 0 40 DFAB Cc1cc(C)cc(C(=O)NCc2cccnc2-n2ccnc2)c1 32777614 PDNPLKRBXIFLMR-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB O=C(CCCc1ccc(Cl)cc1)NCCNc1cnccn1 52578964 CLTHRZKYWNSANU-UHFFFAOYSA-N 318.808 2.681 0 40 DFAB O=C1COc2cc(NC(=O)[C@H]3CC=CCC3)c(Cl)cc2N1 33194474 KYQGJNOADMFUHP-VIFPVBQESA-N 306.749 2.966 0 40 DFAB O=C(O)c1ccccc1C(=O)NN=C1C2CC3CC(C2)CC1C3 35332 KPXAJLKPYKNNCH-UHFFFAOYSA-N 312.369 2.927 0 40 DFAB Cc1nc(SCC(N)=O)c2c3c(sc2n1)C[C@H](C)CC3 413932 NRGGHWZGPAJKJG-SSDOTTSWSA-N 307.444 2.702 0 40 DFAB Cc1nc(C[C@H]2CCCNC2)cc(Nc2ncc(C)s2)n1 77010977 JROBRJZCXUHGJV-GFCCVEGCSA-N 303.435 2.836 0 40 DFAB CCOc1cccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)c1 78898531 IVCKFPQFBFIYOB-KSSFIOAISA-N 316.445 2.822 0 40 DFAB NC(=O)NC(=O)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 1611981 SNJMYSRFCWZBMT-AWEZNQCLSA-N 302.761 2.861 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(OC)cc1 3178527 JBIYITYDUSRPIS-CYBMUJFWSA-N 306.406 2.966 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nncs2)cc1 3389370 FEPKQFIRENKJEP-VIFPVBQESA-N 307.400 2.860 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccccc2F)cc1OC 6316480 SUFQUZOMAZKMPD-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB O=C(Nc1nn2c(-c3cccs3)nnc2s1)c1ccco1 6818087 AWDSVDOPWGCOMY-UHFFFAOYSA-N 317.355 2.760 0 40 DFAB O=C(NC1CCCCCC1)c1ccc(N2CCOCC2)cc1 7504947 SNVKIISWOBYPNQ-UHFFFAOYSA-N 302.418 2.976 0 40 DFAB C[C@@H](NC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 42738953 FGUHRKGYMYPKTK-SECBINFHSA-N 305.359 2.797 0 40 DFAB COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1C21CC1 100307666 HOHCAYRASQLOKU-AZHAFVHUSA-N 313.353 2.547 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 8216896 FETUCWUGUTWWLK-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB CCOc1cc(CNCCCNC)cc(Cl)c1OCC 8253878 NWXGCSFQEDHXLK-UHFFFAOYSA-N 300.830 2.837 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)no1 57355805 GAKWEKINGIPHBE-XJKSGUPXSA-N 313.357 2.531 0 40 DFAB COC(=O)c1sccc1NC(=O)c1c(C)nc2sccn12 1398144 GGFLBSPDKHNSNX-UHFFFAOYSA-N 321.383 2.805 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)N[C@H](C)c2ccccn2)C1 106839181 CPDZTOSIDBCMND-CABCVRRESA-N 304.438 2.562 0 40 DFAB Cn1cnnc1SCC(=O)c1cccc(C(F)(F)F)c1 3217686 ABGPYUKQBJDJEZ-UHFFFAOYSA-N 301.293 2.809 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@H]2CCC[C@H]21 56197100 OSTSYVRVZITTDD-NEPJUHHUSA-N 314.307 2.802 0 40 DFAB Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3OCC2CC2)c1 107265660 NYBYQCRJEKWAKB-PVAVHDDUSA-N 321.442 2.573 0 40 DFAB Cc1nc(NC[C@H](O)C(F)(F)F)c2c3c(sc2n1)CCC3 44406952 NAXQLWUOOGEREF-VIFPVBQESA-N 317.336 2.824 0 40 DFAB CCOC(=O)[C@H](C)Sc1nnc2ccc3ccccc3n12 1924206 XPJDHLFPMGHDEH-JTQLQIEISA-N 301.371 2.926 0 40 DFAB c1ccc(CCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)nc1 48275690 FZQUFOZLVACZSW-UHFFFAOYSA-N 322.368 2.533 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccncc1 100140952 IWCQWEVWWIPWKZ-HOCLYGCPSA-N 305.385 2.695 0 40 DFAB O=C1CCC(=O)N1Cc1nc(-c2ccc3c(c2)CCC3)cs1 48279956 MQORRFSRHFKFJY-UHFFFAOYSA-N 312.394 2.948 0 40 DFAB CCOc1ccc2c(c1)CN(CC(=O)Nc1nccs1)CC2 58180718 GKPJVZMZQIEZSV-UHFFFAOYSA-N 317.414 2.539 0 40 DFAB COc1ccc(F)cc1CN1CCN(c2ccc(O)cc2)CC1 24165320 XBJKJHHXHBBKQJ-UHFFFAOYSA-N 316.376 2.862 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)n[nH]2)cc1 44837685 JNQPSDWKSGVKGZ-UHFFFAOYSA-N 320.352 2.736 0 40 DFAB Cc1nc(COc2ccc(C(=O)N(C)C3CCCC3)cc2)no1 44894503 CNBNQJCQLXQESV-UHFFFAOYSA-N 315.373 2.972 0 40 DFAB O=C(NOCc1ccccc1)[C@@H]1CC(c2cccc(F)c2)=NO1 45061501 BCKCXOJQCNMSHD-INIZCTEOSA-N 314.316 2.567 0 40 DFAB Nc1nnc(SCCC(=O)Nc2ccc3c(c2)CCC3)s1 12762459 JJWSBJWVFSHYSD-UHFFFAOYSA-N 320.443 2.730 0 40 DFAB Cc1noc(C)c1CN1CCC2(CC1)C(=O)Nc1ccccc12 107465610 SGDBLVASOPKSBZ-UHFFFAOYSA-N 311.385 2.777 0 40 DFAB CC(C)(CNC(=O)c1ccccc1O)N1CCc2ccccc2C1 25460842 DCPUIZNGYLAQFT-UHFFFAOYSA-N 324.424 2.959 0 40 DFAB O=C(NCCSc1ccccc1)NCCc1cccnc1 29325678 VABOOENOZQPXOL-UHFFFAOYSA-N 301.415 2.716 0 40 DFAB O=C(NCCNc1ccc2ccccc2n1)NCc1cccnc1 60330636 OLTKWGLIJGYTKR-UHFFFAOYSA-N 321.384 2.541 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2N(C)C1=O 12127620 YQWLJQCXZWMELK-SNVBAGLBSA-N 314.316 2.822 0 40 DFAB Cc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1 3428577 SREMEMVZOAKQTR-UHFFFAOYSA-N 310.309 2.557 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2scnc2Cl)C1 48914438 WOJLAONJFGVIDB-AOOOYVTPSA-N 301.843 2.504 0 40 DFAB CC[C@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1 13135953 OKZZGKNJMNNYIT-DLBZAZTESA-N 307.434 2.837 0 40 DFAB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1 13127125 CXCQJULFABDADJ-YPMHNXCESA-N 323.356 2.917 0 40 DFAB Cc1nc2sc([C@H](c3ccccc3)N3CCCC3)c(O)n2n1 38820064 DJLDFAMAZQFNBK-ZDUSSCGKSA-N 314.414 2.990 0 40 DFAB C[C@@H]1CCc2c(sc3nc(SCC(=O)O)nc(N)c23)C1 4030047 CXJUNDMPJRAAOJ-ZCFIWIBFSA-N 309.416 2.575 0 40 DFAB Cc1nnsc1[S@@](=O)c1ccc(Br)cc1 4001970 FZGMQUPEASHIGC-OAHLLOKOSA-N 303.206 2.776 0 40 DFAB O=C(O)/C=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 4227857 AQTAJWNDBXAVGI-DHZHZOJOSA-N 303.358 2.612 0 40 DFAB CSc1nc(C)cc(OCNC(=O)c2ccc(Cl)cc2)n1 5196569 GEOQEOYNYAJOPR-UHFFFAOYSA-N 323.805 2.927 0 40 DFAB CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C)ccc21 22234622 BPRHELDKDAGJSH-UHFFFAOYSA-N 321.380 2.655 0 40 DFAB CCSc1ccc(NC(=O)CN2CCCCCCC2=O)cn1 65488719 YISBKIVGZDQSNM-UHFFFAOYSA-N 321.446 2.925 0 40 DFAB CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 4460444 HSKVYHFMXRSQHR-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@H]1N(C)C 84714362 NGTHMWNODQMEPB-IAQYHMDHSA-N 317.820 2.910 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccc(F)cc1F 5577758 RNIJCMBLXCQVGK-HNNXBMFYSA-N 314.291 2.858 0 40 DFAB CCc1cnccc1CNC(=O)Nc1ccc(C(=O)OC)cc1 95466217 WINOCMKPAICMNY-UHFFFAOYSA-N 313.357 2.752 0 40 DFAB CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccon2)c(F)c1 95449869 NPDMJKZQRGJLCW-UHFFFAOYSA-N 320.320 2.950 0 40 DFAB COCc1nc(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)cs1 96425474 KCYMMEPNSQGVIB-GFCCVEGCSA-N 323.443 2.936 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(F)c1)C2=O 7578686 DHEPMENINCIZFY-PIGZYNQJSA-N 318.348 2.509 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 9534750 KLQWWCPERIVXIS-YPMHNXCESA-N 317.414 2.926 0 40 DFAB CC(C)Cn1cnc2ccc(NC(=O)c3ccccn3)cc2c1=O 95476095 HDFUEROKBGTYSN-UHFFFAOYSA-N 322.368 2.700 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccncc1 7986488 PUTBFPFRDSEFQE-UHFFFAOYSA-N 306.797 2.826 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cn(C)c3ccccc23)c1 71866850 FCDJVUVYJDIZNO-HNNXBMFYSA-N 322.412 2.988 0 40 DFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1cccc2ccccc12 8127790 CMQZSGKNJYEFRF-UHFFFAOYSA-N 322.364 2.887 0 40 DFAB COc1cccc(NC(=O)N2CCC(c3noc(C)n3)CC2)c1 69218918 HDZDLDUOSKJFMP-UHFFFAOYSA-N 316.361 2.798 0 40 DFAB Cc1nc(C2(NCc3noc(C(C)C)n3)CCCCC2)no1 71833195 STXQPWYPFQKTMU-UHFFFAOYSA-N 305.382 2.834 0 40 DFAB COc1ccc(-c2noc(COC(=O)c3ccco3)n2)cc1 8447823 JLBGZKZFAVJBOQ-UHFFFAOYSA-N 300.270 2.695 0 40 DFAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C)Cc1ccco1)C2 69517523 RRXLRHVKXRGWGA-GXTWGEPZSA-N 315.369 2.587 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 69592249 PDRSDFNJWSLRLN-CABCVRRESA-N 314.433 2.633 0 40 DFAB CCCN1CCCN(C(=O)CCC(=O)c2ccccc2)CC1 69841785 STFLKLNQPURYNK-UHFFFAOYSA-N 302.418 2.594 0 40 DFAB COc1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 8715010 BNHPGWZEZJFOQN-UHFFFAOYSA-N 322.224 2.535 0 40 DFAB Cc1c(C(=O)N(C)C)c(=O)oc2ccc(Br)cc12 87056346 OMVYQGRBBILYHQ-UHFFFAOYSA-N 310.147 2.566 0 40 DFAB COC(=O)[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 95456204 FKRMSMVGSCTNDV-SCDSUCTJSA-N 310.296 2.563 0 40 DFAB CCC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 9738766 QLZWGFOEYUVODO-UHFFFAOYSA-N 324.446 2.740 0 40 DFAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)C(=O)N1CCC(C)CC1 72299756 VMIYJBPJJQYFTB-ZBFHGGJFSA-N 318.465 2.517 0 40 DFAB C[C@H]1CN(C(=O)CCCn2ccnc2)C[C@@H](c2ccccc2)O1 72273699 HYMDFQXMVHMAHQ-RDJZCZTQSA-N 313.401 2.652 0 40 DFAB CN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCN(CC2CC2)C1 72290872 QXSHAFRWQQKSIX-OAHLLOKOSA-N 323.387 2.591 0 40 DFAB CCn1cc(N[C@@H](C)C(=O)N2CCSc3ccccc32)cn1 97139841 BVCOWPSWKYMSQE-LBPRGKRZSA-N 316.430 2.842 0 40 DFAB CCC1(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)CCCC1 95964967 DJXLRSUVZIIMIK-UHFFFAOYSA-N 302.418 2.975 0 40 DFAB CC[C@@](C)(NC(=O)/C=C/c1cnc(C(C)(C)C)s1)C(=O)O 95969995 HIAQYIPJTXEIJJ-MVGZEHJDSA-N 310.419 2.823 0 40 DFAB CNc1ncc(C(=O)Nc2ccc3nc(N(C)C)oc3c2)s1 95979053 DDHQEALTPWPKRE-UHFFFAOYSA-N 317.374 2.644 0 40 DFAB CCc1n[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2O)c1CC 89282528 OLHYGOAWSHLDIY-UHFFFAOYSA-N 321.764 2.506 0 40 DFAB CC(C)[C@H](Nc1ccnc(C(C)(C)C)n1)C(=O)N1CCCC1 75110069 PWLXUABSHJVJIY-AWEZNQCLSA-N 304.438 2.833 0 40 DFAB O=C(CCOc1ccccc1F)NC[C@H](O)c1ccccc1F 89813237 HQWZAFDESNYBDW-HNNXBMFYSA-N 321.323 2.584 0 40 DFAB Cc1nc(CNC(=O)[C@H]2SCCc3sccc32)oc1C 79696689 SCFOGMGGZLKMRO-ZDUSSCGKSA-N 308.428 3.000 0 40 DFAB O=C(NCc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 22235134 OLSKKCIYUKSMRY-UHFFFAOYSA-N 318.376 2.878 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c(C)c1 4314601 WLBODVXAORVJTO-UHFFFAOYSA-N 317.414 2.734 0 40 DFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCCC[C@H]3C)ccc21 23112537 XAPAZQZLQSGTHY-GFCCVEGCSA-N 313.401 2.739 0 40 DFAB COc1ccc(SCC(=O)NCCCN2CCCCC2)cc1 38756596 UJLDIPDNKQZAIL-UHFFFAOYSA-N 322.474 2.780 0 40 DFAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(S(C)(=O)=O)cc1 31497373 YSWWJIQDTIVUAL-LLVKDONJSA-N 323.439 2.572 0 40 DFAB O=C(CN1C(=O)COc2ccc(Cl)cc21)c1ccccc1 5772643 BMTXIMBHZUUACE-UHFFFAOYSA-N 301.729 2.948 0 40 DFAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1NCCOC 72336886 PENIYWQNXMLLPM-UHFFFAOYSA-N 318.421 2.552 0 40 DFAB CCc1nc(CCNC(=O)COc2ccccc2F)sc1C 69597310 HGELYXDBVRIMMI-UHFFFAOYSA-N 322.405 2.891 0 40 DFAB CCCN1CCO[C@@H](COc2ccccc2Br)C1 217496629 NGEKIWHPVKVNGP-GFCCVEGCSA-N 314.223 2.939 0 40 DFAB COc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)n1 72218060 XVOZJBRRZSASSG-UHFFFAOYSA-N 308.378 2.886 0 40 DFAB CSC[C@H]1CCN(C(=O)c2ccc(-c3nc(C)n[nH]3)cc2)C1 73909403 LHMNDJVWKDXWCB-LBPRGKRZSA-N 316.430 2.605 0 40 DFAB CCn1ncc2ccc(N[C@H](C)C3CCS(=O)(=O)CC3)cc21 187509985 GQQXUUZIHOXUQC-GFCCVEGCSA-N 321.446 2.681 0 40 DFAB Cc1nn(C)c(C)c1CNC(=O)Cn1c(C)cc2ccccc21 72243193 ZOBTWMCUIPYHEX-UHFFFAOYSA-N 310.401 2.616 0 40 DFAB CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccco1 72324363 RNDVVTBMEUSCPP-GFCCVEGCSA-N 314.341 2.642 0 40 DFAB Cc1nc(Nc2ncccn2)cc([C@H]2CCN(CC(C)C)C2)n1 72383501 AKHVZORDLBMUSC-AWEZNQCLSA-N 312.421 2.764 0 40 DFAB CCCOC1(C(=O)Nc2ccc(OCCOC)nc2)CCCC1 225909008 IPAUOIXJQMWJAC-UHFFFAOYSA-N 322.405 2.785 0 40 DFAB NC1(C(F)(F)F)CCN(C(=O)OCc2ccccc2)CC1 199784203 KHTBPHFAXPTRFY-UHFFFAOYSA-N 302.296 2.679 0 40 DFAB Cc1nc2c(Nc3cnn(Cc4ccccc4)c3)ncnc2[nH]1 41121253 ZZYASEDBYDWCIN-UHFFFAOYSA-N 305.345 2.650 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C 89338164 HDCMWZDTOFCBMD-JKSUJKDBSA-N 307.438 2.832 0 40 DFAB O=C(NCC1CCN(c2cccnc2)CC1)c1ccccc1F 225654446 VIGZJEQUNYJVNG-UHFFFAOYSA-N 313.376 2.867 0 40 DFAB Cn1cccc1CN1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96158027 GOFZSHZMDQTMFT-HXUWFJFHSA-N 324.472 2.908 0 40 DFAB O=C(CO)Nc1cccc(N[C@H]2CCc3ccc(F)cc32)c1 96449376 GYZVVBNQVZTVHU-INIZCTEOSA-N 300.333 2.856 0 40 DFAB CC1(C)C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C(C)(C)O1 95423722 NYFFRXAEEGCHGA-OCCSQVGLSA-N 307.413 2.735 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 96125618 MMLDSGLYKUZQIA-APWZRJJASA-N 312.413 2.795 0 40 DFAB biogenic CCCN(Cc1nnnn1CCC)[C@H]1CCCc2cccnc21 97164287 ICVWUXDGFSBZBW-HNNXBMFYSA-N 314.437 2.768 0 40 DFAB O=C1OCCN1c1cccc2c1CCN(C[C@@H]1CCCCO1)C2 96441596 KFMHUPMAZPYSMM-HNNXBMFYSA-N 316.401 2.570 0 40 DFAB Cc1ccc(CN2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)o1 248124313 WKDLEJJUXBPDEV-IXDGSTSKSA-N 323.396 2.877 0 40 DFAB COC[C@@H]1CN(C)CC12CCN(CCc1ccccc1)CC2 248157212 VYTMQAYAGONZKG-SFHVURJKSA-N 302.462 2.519 0 40 DFAB Cc1cc(CC2CCN(C(=O)CCN3CCCC3)CC2)ccn1 257306059 SSTAMROWDMUZFB-UHFFFAOYSA-N 315.461 2.657 0 40 DFAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)[nH]n1 257295283 QXRNGDXQWGSWOA-LBPRGKRZSA-N 315.421 2.525 0 40 DFAB Cn1cc(CN2CCC[C@@H](Cc3cnc4[nH]ccc4c3)C2)cn1 257241520 HYHWUCBIXUGGHP-AWEZNQCLSA-N 309.417 2.751 0 40 DFAB CO[C@@]1(C)CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 282017519 RVMQMHJVPFMFBP-SFHVURJKSA-N 315.417 2.921 0 40 DFAB O=C(c1ccncc1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575605744 SCJJZWCAGVZYHT-CYBMUJFWSA-N 317.776 2.814 0 40 DFAB CCCCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575404856 DYWSCBQRGLRCGH-INIZCTEOSA-N 313.401 2.863 0 40 DFAB CCc1noc([C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 44286173 ZKSIPRSWEKAIPB-GFCCVEGCSA-N 304.369 2.654 0 40 DFAB Cc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1 44450085 DTGZCDBHGGOJDV-UHFFFAOYSA-N 301.312 2.707 0 40 DFAB COCCn1cc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 44973041 PANXLJHLJCLVBB-ZDUSSCGKSA-N 320.418 2.960 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)Cc2ccsc2)CCC[C@H]1C 102147627 VMYKNXXLAZMSSN-DYEKYZERSA-N 309.431 2.775 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](C)n1ccnc1 75602361 COLMQLVQQQBZQD-RYUDHWBXSA-N 321.812 2.503 0 40 DFAB Cn1cnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1Cl 37984275 CLMIXAGPAWMPPN-UHFFFAOYSA-N 307.847 2.567 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cc(-c2ccccc2)on1 100748026 JIHFYKPJRBIFPA-HUUCEWRRSA-N 308.337 2.793 0 40 DFAB CN(Cc1ccccc1)c1ncc(C(=O)O)c(-c2cccnc2)n1 169751187 XVPAPOUPQALSBC-UHFFFAOYSA-N 320.352 2.873 0 40 DFAB O=C(O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 13439663 OESSIAFACDHCNA-UHFFFAOYSA-N 319.744 2.985 0 40 DFAB CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2)CC1 13479280 VYXIFHVFUDJZER-UHFFFAOYSA-N 306.431 2.967 0 40 DFAB Cc1nc(C)c(C(=O)N2CC[C@@H](Cc3nccs3)C2)s1 607853368 NGAFJUUYXXDAEE-NSHDSACASA-N 307.444 2.921 0 40 DFAB CCC(=O)N1CCN(c2nc3c(OC)ccc(C)c3s2)CC1 5182652 YEGJIVVWJOHLQO-UHFFFAOYSA-N 319.430 2.672 0 40 DFAB Cc1cc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)ccc1O 567526734 WHTSJAVIMIQBAY-HNNXBMFYSA-N 310.353 2.897 0 40 DFAB Cc1ccccc1CC(=O)N[C@H](CC(=O)O)c1cccs1 13389693 JYRRVLWWTJCNEJ-CYBMUJFWSA-N 303.383 2.931 0 40 DFAB CC(C)n1cnnc1SCC(=O)Nc1cccnc1Cl 5416772 KDFMOINILIXTCS-UHFFFAOYSA-N 311.798 2.638 0 40 DFAB CN(C(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1 4325725 UVSMNZLLTVWIHW-UHFFFAOYSA-N 303.383 2.513 0 40 DFAB CCOC(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1 12440464 FFZWQKYAQKZAGD-UHFFFAOYSA-N 319.386 2.570 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)NC(=O)N1C 350473 DQMNPGXEWNWTMM-CQSZACIVSA-N 306.337 2.747 0 40 DFAB O=C(NC[C@@H]1CCOC1)c1occc1COc1ccccc1 41370073 FLPJWWQISCFMBF-ZDUSSCGKSA-N 301.342 2.625 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCSc2ccccc21 33157941 PYSHWAOLVQJPOU-OLZOCXBDSA-N 318.442 2.678 0 40 DFAB CSc1nnc(CCCNC(=O)C2CCC2)n1CC(C)C 61085100 BYJMJNQULIVDMT-UHFFFAOYSA-N 310.467 2.505 0 40 DFAB Cc1nnc(SCc2ccccc2)n1NC(=O)c1ccco1 558494 NETSVGCGTPKMLT-UHFFFAOYSA-N 314.370 2.856 0 40 DFAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1 570523 OKGKVOZUPRVKOC-UHFFFAOYSA-N 313.382 2.772 0 40 DFAB CCNC(=O)c1ccc(CNC(=O)NC2CCCCC2)cc1 47579359 LCFUKNSVGGLVSF-UHFFFAOYSA-N 303.406 2.568 0 40 DFAB CCC1(CC)C(=O)N(C)P(=O)(Oc2ccccc2)N(C)C1=O 1563914 NKJSJBXLPJQFTL-UHFFFAOYSA-N 324.317 2.910 0 40 DFAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 2039539 UHQGCIIQUZBJAE-BPCAWRKVSA-N 302.414 2.883 0 40 DFAB in-vitro Cc1noc([C@@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)n1 54121142 JOEZHFFDJMRRHV-GFCCVEGCSA-N 318.377 2.818 0 40 DFAB COc1ccccc1[C@@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678514 UXHBMMLFRYMHCE-RNCFNFMXSA-N 303.387 2.890 0 40 DFAB O=C1/C(=C/c2ccc(O)cc2)NC(=S)N1C1CCCCC1 7916041 KVESPFSPDZKFMC-UVTDQMKNSA-N 302.399 2.783 0 40 DFAB O=C(NC1CC1)[C@@H](Nc1cccc2c1OCCO2)c1ccccc1 55156581 XBXTWFLHZXJNFW-KRWDZBQOSA-N 324.380 2.890 0 40 DFAB O=C(Nc1c(F)cccc1F)N1CCN(c2nccs2)CC1 43265602 RSOZOQVMUVILEQ-UHFFFAOYSA-N 324.356 2.775 0 40 DFAB Cc1noc([C@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1 106829392 XTWNVAXMQQYUBC-SKDRFNHKSA-N 303.366 2.579 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCCCN1 37798049 XTKVGXFCEYMVOY-CYBMUJFWSA-N 311.223 2.550 0 40 DFAB CC(C)(C)C(=O)NCC(=O)Nc1cccc(OC(F)(F)F)c1 26312596 GKUYDTLCDQMMQW-UHFFFAOYSA-N 318.295 2.686 0 40 DFAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)C1CCC1 3226734 XQVSOCVSHMKRMX-UHFFFAOYSA-N 315.413 2.811 0 40 DFAB O=C(NCC(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CC1 58246323 RAHUCKRFEJBWPQ-UHFFFAOYSA-N 316.376 2.510 0 40 DFAB CC(=O)NC1(C(=O)N[C@H](C)c2ccc(F)cc2F)CCCCC1 58278250 RLEAGKHWHHQVEY-LLVKDONJSA-N 324.371 2.981 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cnc21 44951326 JQGYPOVVNQGFSW-FZMZJTMJSA-N 317.393 2.701 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 44918292 QHIKTPKBCOIZNW-MRVPVSSYSA-N 321.324 2.516 0 40 DFAB O=C(CSc1nnc(-c2ccco2)o1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100413315 KWADHRWQUMUBSH-MXWKQRLJSA-N 319.386 2.727 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c2cnn(C(C)C)c2n1 27885843 XGODWBUGURALGE-WFASDCNBSA-N 316.405 2.618 0 40 DFAB Cc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c(O)c1 58323077 PEFGVBVCQUBLBO-UHFFFAOYSA-N 322.368 2.787 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1F 3325435 RBBLEQBWNSLCGC-AWEZNQCLSA-N 322.380 2.841 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@@H]1c1ccccc1 58407036 HOCJGARUOIQKBJ-MRXNPFEDSA-N 304.353 2.855 0 40 DFAB O=C(NCc1cc2ccccc2[nH]1)c1cnn(-c2ccccc2)n1 58429788 IPLPXWOKIDDKBS-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCCCNC1=O 45668688 VUKBSHNQBFXRER-AWEZNQCLSA-N 323.824 2.540 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2 29254456 LDFQRYGBTZEYCT-CYBMUJFWSA-N 324.428 2.984 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)NC1CCCCC1 3499141 XIYBANNKMDNOLJ-UHFFFAOYSA-N 307.415 2.999 0 40 DFAB COC(=O)[C@H](OC(=O)C[C@H](C)c1ccccc1OC)C1CC1 95456208 DCPYOESKXJZOSL-MEDUHNTESA-N 306.358 2.684 0 40 DFAB Cc1cc(CN(C)C(=O)NCCCOc2ccc(F)cc2)no1 63799989 LNROMPUYYNLZON-UHFFFAOYSA-N 321.352 2.733 0 40 DFAB O=C(Nc1ccc2[nH]nnc2c1)c1c[nH]nc1-c1ccccc1F 95415615 UVMRFEPCRZEWOZ-UHFFFAOYSA-N 322.303 2.739 0 40 DFAB CC(C)(C)NC(=O)CN1CCC(CNC[C@H]2CC=CCC2)CC1 95434090 YCMFZMKWTXLMCX-INIZCTEOSA-N 321.509 2.559 0 40 DFAB COC(=O)CCCCCNC(=O)c1cn(C)cc1C(F)(F)F 95469365 JCKDTPVHSDZPLC-UHFFFAOYSA-N 320.311 2.507 0 40 DFAB O=C1OC(c2ccccc2)=N/C1=C\c1cc2ccccc2[nH]c1=O 13801168 JCZKHOCJQBRAAW-WJDWOHSUSA-N 316.316 2.873 0 40 DFAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N[C@H](C)C1CCOCC1 95416784 FDMRJSFAAVUTGG-CZUORRHYSA-N 318.417 2.851 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)O 6358396 LLAGBWVHCRZXMQ-YDHLFZDLSA-N 306.406 2.806 0 40 DFAB biogenic Cc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 65667935 RFMKSPDFUGJQDW-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccncc1 96221980 UIUUODXHSDOVQE-CYBMUJFWSA-N 307.305 2.937 0 40 DFAB biogenic C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1 14302421 YLESTYVHADGBKL-GRYCIOLGSA-N 309.435 2.543 0 40 DFAB O=c1[nH]c(NC[C@@H]2COc3ccccc3C2)nc2ccccc12 97994961 ICHVBXVXUNPMLR-GFCCVEGCSA-N 307.353 2.586 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)Cc1cccs1 5786740 OCSMXWCPWPQLMX-UHFFFAOYSA-N 319.382 2.790 0 40 DFAB Cc1cnn(CCNCc2coc(-c3ccc(F)cc3)n2)c1 75131710 KBUBNGVRQKZJSQ-UHFFFAOYSA-N 300.337 2.775 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)N[C@@H]1C[C@@H]1c1ccccc1 67554543 IEJCOUFKNOBBCM-GDBMZVCRSA-N 319.368 2.945 0 40 DFAB COc1ccc(OC)c(N[C@H](C)C(=O)Nc2nccs2)c1 7463529 CGXQEILSCWCBLU-SECBINFHSA-N 307.375 2.599 0 40 DFAB C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(F)c1 71859105 CZWCUUYDYYPAEQ-XUSGNXJCSA-N 311.422 2.912 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)N(C)[C@@H](C)C3CC3)CC2=O)cc1 71837834 FXPHYOYIYPRERH-WMLDXEAASA-N 314.429 2.600 0 40 DFAB CCCOc1cccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 70013108 MSEXKPYOEZHBGS-GFCCVEGCSA-N 321.421 2.900 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1cccc(F)c1 71859086 ZQXKRHZHRFGGJW-XMHCIUCPSA-N 319.401 2.779 0 40 DFAB Cc1ocnc1C(=O)OC[C@H]1CCN(Cc2ccccc2)C1 89975512 PKVNQRZGCWQJQK-HNNXBMFYSA-N 300.358 2.662 0 40 DFAB Clc1cncc(N2CCC[C@H]2c2nnc3n2CCCCC3)n1 69699073 DIQROHWVPKSGIS-NSHDSACASA-N 318.812 2.789 0 40 DFAB Cc1nnc2n1CCN([C@@H](C)c1ccccc1Br)C2 69741192 VFVJJPOAPFEJTI-JTQLQIEISA-N 321.222 2.926 0 40 DFAB c1csc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69741030 QLCPRTKLBMAQFY-CYBMUJFWSA-N 318.446 2.763 0 40 DFAB Cc1nc(CN2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cs1 69773945 LLAZCJLOWPDQIR-HNNXBMFYSA-N 319.474 2.842 0 40 DFAB O=C(Nc1nnc(CSc2ccccc2)s1)[C@@H]1CCCO1 9614709 ULQUGGFZHBTFTD-NSHDSACASA-N 321.427 2.948 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 83927563 PRFKULIDNZWQDM-MELADBBJSA-N 306.431 2.732 0 40 DFAB COC(=O)CNC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8883675 NFPHBOVWQLHQTR-UHFFFAOYSA-N 324.789 2.675 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2nnc(C3CCC3)o2)no1 72277975 VLOUFWLLMFVYHV-NSHDSACASA-N 303.366 2.620 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)n1 72298939 MENOGQYWCCYRIP-CQSZACIVSA-N 318.446 2.834 0 40 DFAB CNC(=O)[C@H](Cc1ccccc1)S[C@H](C)c1nc(C)no1 97114022 PIRSMNSXXHSYBD-MFKMUULPSA-N 305.403 2.530 0 40 DFAB COC[C@H](C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 97107692 KVRWJAHBORYZRG-AWEZNQCLSA-N 305.418 2.759 0 40 DFAB Cc1ccc2c(n1)OCCN2C(=O)CCn1cnc2ccccc21 97232650 FZKQPXRBGRIMOY-UHFFFAOYSA-N 322.368 2.555 0 40 DFAB CCn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2ccccc2)C1=O 76047100 FXUAGDZVJKYNBZ-DLBZAZTESA-N 324.428 2.676 0 40 DFAB CCc1ccc(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3)o2)cc1 76065897 ZADSCPYSYXEPRS-AWEZNQCLSA-N 312.369 2.517 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1F 170664110 BVLDGVSONPQUHO-UHFFFAOYSA-N 313.325 2.799 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)no1 33936554 LEPHACLGRCVKFM-TZMCWYRMSA-N 313.357 2.531 0 40 DFAB O[C@@H]1CCCC[C@H]1[C@H]1COCCN1c1nc2ccccc2o1 517976243 GGYFOSBFZYEGHC-NWANDNLSSA-N 302.374 2.584 0 40 DFAB Cc1ccc([C@@H](CNC(=O)Nc2ccncc2)N2CCCC2)o1 69568896 WCYNEAWMHJCVDR-OAHLLOKOSA-N 314.389 2.942 0 40 DFAB O[C@@H]1CCCN(c2ncc(-c3ccccn3)c(-c3ccco3)n2)C1 72396555 WDQUQPKATIXLTN-CYBMUJFWSA-N 322.368 2.760 0 40 DFAB CC(C)Nc1ccc(F)cc1NC(=O)CCc1cnn(C)c1 74256252 LMHPPIVINHMJER-UHFFFAOYSA-N 304.369 2.951 0 40 DFAB CCc1cc(CNC(=O)CCOc2cc(C)cc(C)c2)[nH]n1 79002204 SXTKKGIUXUZCFT-UHFFFAOYSA-N 301.390 2.674 0 40 DFAB Cc1cc(S(=O)(=O)N(C)CC2CCOCC2)sc1Cl 188144884 ZVGNNHVDVRPPBQ-UHFFFAOYSA-N 323.867 2.757 0 40 DFAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C)CC2)c1 45583333 CGCHJTRTGZWPDM-HNNXBMFYSA-N 304.434 2.660 0 40 DFAB O=c1ccc(-c2ccccc2F)nn1CCO[C@H]1CCCCO1 194714933 ZQIZGDBLDKBCRH-KRWDZBQOSA-N 318.348 2.593 0 40 DFAB Cc1ccc(N2C[C@H](c3noc(-c4cc(C)n[nH]4)n3)CC2=O)cc1 49060503 MXRGTEBLKYJSCQ-GFCCVEGCSA-N 323.356 2.597 0 40 DFAB C[C@](O)(CNC(=O)c1nc2ccccc2s1)c1cccs1 75155866 LHCYNUGFMLIMRH-HNNXBMFYSA-N 318.423 2.995 0 40 DFAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C(F)(F)Cl)CC1 195570600 IMPJYZNHOKXFBD-UHFFFAOYSA-N 317.719 2.645 0 40 DFAB C[C@@H](CNC(=O)[C@@H](C)n1ccnc1)Oc1ccc(Cl)cc1 81350062 QLRDGWIIXANKBO-NWDGAFQWSA-N 307.781 2.681 0 40 DFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 222883747 QQUQRPFEJZZDRC-HUUCEWRRSA-N 300.431 2.803 0 40 DFAB CCCCCOCC(=O)N(Cc1ncc[nH]1)c1cncc(C)c1 577066911 RKEMDZLNWCQQNW-UHFFFAOYSA-N 316.405 2.853 0 40 DFAB O=S(=O)(CCC(F)(F)F)NCc1ccc2ccccc2n1 330031647 BWUZCAQOXDKEIE-UHFFFAOYSA-N 318.320 2.607 0 40 DFAB CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H]2CCCOC2)cs1 96431533 KOKDKIFRNHMCLN-RYUDHWBXSA-N 312.435 2.626 0 40 DFAB CC(C)COC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 96024383 HOCZXMVNNTVUJB-UHFFFAOYSA-N 300.399 2.768 0 40 DFAB Cc1nc([C@H]2CCN(Cc3ncc(-c4ccccc4)o3)C2)n[nH]1 583679844 SXTFPUKEOWHRRW-AWEZNQCLSA-N 309.373 2.758 0 40 DFAB O=C(c1nccs1)c1ccccc1I 95739903 PZXOWWUHXPCSSU-UHFFFAOYSA-N 315.135 2.979 0 40 DFAB Cc1ncc(C(=O)NCC[C@H](C)[S@@](C)=O)c(Cl)c1Cl 96486958 BZCRAOXIHBZFKE-IIYDVTGLSA-N 323.245 2.584 0 40 DFAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1ccco1 96197849 UXXVXGSSOIQBTI-MRXNPFEDSA-N 301.390 2.632 0 40 DFAB C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2 95348556 HOUPTSRGTWVQAW-BLLLJJGKSA-N 311.385 2.501 0 40 DFAB CCN1CCN([C@@H]2CCN(C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 249028718 AYVLCJGFSDWJCR-IPMKNSEASA-N 305.510 2.691 0 40 DFAB COC[C@@H]1CCN(C)C2(C1)CN(Cc1cccc3[nH]ccc13)C2 248121839 KLIRODOINUSJPX-OAHLLOKOSA-N 313.445 2.711 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]12Cl 254569769 SXIFUYIBLDTKKR-AKALZHFFSA-N 309.192 2.738 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cnc(O)c(Cl)c1 257248733 JEYJIGKDAYQMTR-GFCCVEGCSA-N 320.780 2.840 0 40 DFAB C[C@H]1CN(C(=O)NCCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 252498448 RCIWAXKTHIFUFD-BETUJISGSA-N 301.390 2.529 0 40 DFAB Cc1noc(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)c1C 267238871 QKORFQVKDCHVAT-AWAWDMARSA-N 319.405 2.657 0 40 DFAB CCOC(=O)C1CCN(C(=O)Nc2cc(F)ccc2OC)CC1 271138224 VAPQSGXCQTXQHW-UHFFFAOYSA-N 324.352 2.641 0 40 DFAB CC(C)NC(=O)c1nc2c(o1)CCN([C@@H](C)c1ccccc1)C2 585111973 JNSWFTCPAFCBDI-ZDUSSCGKSA-N 313.401 2.932 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cn1 66511285 RGTQQWCMKPPSQT-LLVKDONJSA-N 307.350 2.546 0 40 DFAB CC1CCC(NC(=O)C[S@@](=O)Cc2ccccc2F)CC1 69350803 FFAFQTOSTMRAET-PUMZCOHWSA-N 311.422 2.769 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)N(C(C)C)C3CC3)c(C)n2n1 71800805 IEUHOCXKYQIALV-UHFFFAOYSA-N 314.433 2.987 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 102167223 CLQZHPGGLYTJNT-UKTARXLSSA-N 319.376 2.923 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](O)c3ccc(O)cc3O2)C1 96345714 VYKHGBVZZFBACX-CXAGYDPISA-N 321.373 2.588 0 40 DFAB COc1cc(F)ccc1N1CCN(Cc2ccncc2C)CC1 569187975 OTKUMVXWYQJLCW-UHFFFAOYSA-N 315.392 2.860 0 40 DFAB CCOC(=O)n1c(S[C@@H](CC)C(=O)O)nc2ccccc21 5399590 FSPDLGLUUARWQJ-NSHDSACASA-N 308.359 2.996 0 40 DFAB Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 5709514 GTWOAOMXAQMSKL-UHFFFAOYSA-N 322.723 2.857 0 40 DFAB Cc1nc(N2CCN(c3ccccc3F)CC2)c2ccncc2n1 1888881880 BWIQWRWFAWZKRI-UHFFFAOYSA-N 323.375 2.799 0 40 DFAB O=C(Nc1nncs1)c1ccc(COCC(F)(F)F)cc1 21215838 XWXXXTCYJMZSJW-UHFFFAOYSA-N 317.292 2.869 0 40 DFAB CO[C@]1(COc2ccccc2)CCCN(C(=O)C2CCC2)C1 2037916037 JHKNGUBZTFTUEZ-GOSISDBHSA-N 303.402 2.873 0 40 DFAB COc1ccc(CCNC(=O)NC[C@H](OC)c2ccco2)cc1 206869370 PNZBRNKHXUIPQW-INIZCTEOSA-N 318.373 2.518 0 40 DFAB O=C(NCc1ccccn1)[C@@H]1CCCN1c1nc2ccccc2o1 618255478 QMHLVXCQWPCLAY-HNNXBMFYSA-N 322.368 2.508 0 40 DFAB COc1ccc(Nc2ncncc2-c2nc(C)no2)cc1F 244909700 ASAUBIGGWIKFDX-UHFFFAOYSA-N 301.281 2.726 0 40 DFAB CCOC(=O)c1c(C)oc2ccc(O[C@H](C)C(=O)OC)cc12 407140 SKSXEVFSOBUCEZ-SNVBAGLBSA-N 306.314 2.858 0 40 DFAB biogenic Cc1ccc(O)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 40046983 ULPJENITSWXMIW-UHFFFAOYSA-N 321.380 2.875 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)[C@@H](C)CO1 40082880 YHSVQYJGQQENNJ-QWRGUYRKSA-N 319.792 2.980 0 40 DFAB O=C(OCc1ccc2c(c1)OCO2)c1cc2ccccc2oc1=O 187292 CJIHEBITJWMYKP-UHFFFAOYSA-N 324.288 2.879 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2cccs2)[C@@H]1C 32716600 WPEDLEPEFLWWPV-UPJWGTAASA-N 308.447 2.809 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1)NCCCCN1CCOCC1 41527883 QBVBGZMEICCGOB-VMPITWQZSA-N 322.836 2.582 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1nncn1C 46963159 VESUKVOTYLYDJQ-JQWIXIFHSA-N 319.434 2.657 0 40 DFAB C[C@@H]1CCCCN1CCCCNC(=O)c1cc(C2CC2)[nH]n1 46990204 HPXSWEFUEXIPII-CYBMUJFWSA-N 304.438 2.672 0 40 DFAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 12363863 ASIICBLSIDAYNC-CZAMWMTLSA-N 323.348 2.673 0 40 DFAB O=C1CCC[C@@H]2NCC[C@@H]2N1Cc1ccccc1C(F)(F)F 77010467 FVBJIQXGRYRITH-KBPBESRZSA-N 312.335 2.948 0 40 DFAB COc1ccc(CN2C(=O)CCCC[C@@H]3NCC[C@@]32C)cc1 77010757 WXMYTJHKDSYESC-WMZOPIPTSA-N 302.418 2.718 0 40 DFAB COc1ccccc1C1(CNC(=O)OC(C)(C)C)CCNCC1 79034492 LDVWJXFZGKNHGT-UHFFFAOYSA-N 320.433 2.841 0 40 DFAB CCOC(=O)[C@]1(CC(=O)OCc2ccccc2)CCCCC1=O 1678828 OUVGXOSUTHHIQC-SFHVURJKSA-N 318.369 2.813 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C(=O)N(C)C)c1ccccc1 1681786 VDHODYXITVZLHW-ROUUACIJSA-N 324.424 2.730 0 40 DFAB COc1ccc2nc(NC(=O)CCCCC(=O)O)sc2c1 4976949 YYFMEDLRGUCOKD-UHFFFAOYSA-N 308.359 2.888 0 40 DFAB Cc1ccc(OCCNC(=O)c2ccc3c(c2)OCO3)cc1C 6033403 VIHUTFRPKIIDKD-UHFFFAOYSA-N 313.353 2.841 0 40 DFAB CC(=O)[C@H]1[C@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@@]1(C)O 6720049 NGTLYMQTTVSXRG-IXDOHACOSA-N 302.349 2.501 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101276609 CTBZWMOZOSNRJL-CQSZACIVSA-N 314.316 2.578 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)o1 12529949 QZLBJQSFNTVZAZ-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB CCOC(=O)N1CCN(Cn2c(=S)oc3ccccc32)CC1 24632174 SFYJVDVQZHQSTO-UHFFFAOYSA-N 321.402 2.695 0 40 DFAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1NS(C)(=O)=O 43284348 KBPFEPJKDYAZNI-CHWSQXEVSA-N 322.430 2.592 0 40 DFAB CCOCCCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H](C)C1 106854106 FNKGSQCZFPQCIR-ZACQAIPSSA-N 308.466 2.596 0 40 DFAB Cc1noc([C@@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1 106829390 XTWNVAXMQQYUBC-BXKDBHETSA-N 303.366 2.579 0 40 DFAB Nc1cc(C(=O)OCC(=O)NC2CCCCCC2)ccc1Cl 3262203 IYZHRUSWTKVMQJ-UHFFFAOYSA-N 324.808 2.918 0 40 DFAB CCN(CC)CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12 1838336 LSOCQPVOIHPFPK-UHFFFAOYSA-N 318.417 2.994 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 84576749 WHWZNXODZYZVEL-RDJZCZTQSA-N 311.385 2.656 0 40 DFAB COc1ccccc1-c1cc(NC(=O)[C@@H](C)OCC2CC2)[nH]n1 58294534 TZTANDSPQWKWDG-LLVKDONJSA-N 315.373 2.839 0 40 DFAB Cc1cc(C(=O)COc2ccc(Cl)cc2C(N)=O)c(C)[nH]1 12752355 DDACUIKVBNRION-UHFFFAOYSA-N 306.749 2.646 0 40 DFAB COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)nn3C)C2)cc1 58415360 YITMWYKRNKEDHP-CQSZACIVSA-N 314.389 2.759 0 40 DFAB Cc1sc(-c2ccco2)nc1C(=O)NCCCn1ccnc1 48344902 JLQLOJPKYMMTPF-UHFFFAOYSA-N 316.386 2.728 0 40 DFAB CCCCCCc1c(C)[nH]c2nc(-c3ccncc3)nn2c1=O 10338631 MIVNXBBCOOIPGI-UHFFFAOYSA-N 311.389 2.911 0 40 DFAB Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 11591199 IGBQWVAJLSHYCO-LJQANCHMSA-N 322.364 2.725 0 40 DFAB O=C(O)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 45949379 SROICPMQMNGDRH-UHFFFAOYSA-N 314.385 2.814 0 40 DFAB Cc1cc(C)c2cc(C(=O)N(C)CC(=O)NC(C)(C)C)[nH]c2c1 46641815 USPXGXHQCMNSPI-UHFFFAOYSA-N 315.417 2.771 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2nnc3ccccn23)CC1 110567737 VMBXCQZBWNJJOV-CWRNSKLLSA-N 324.428 2.872 0 40 DFAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)/C(O)=N/S(C)(=O)=O 48486757 WGGDUEMAJUKNQL-ZCFIWIBFSA-N 312.174 2.677 0 40 DFAB CCn1cc(C2CCN(Cc3nc(C4CC4)no3)CC2)cn1 97203414 PUJKOZHXGBJDAG-UHFFFAOYSA-N 301.394 2.543 0 40 DFAB Cc1cc(N2CCCCC2)nc2sc3c(NN)ncnc3c12 71280139 LSEONFJTEISRAO-UHFFFAOYSA-N 314.418 2.824 0 40 DFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 4095421 FICBEPYGHBVSDM-LBPRGKRZSA-N 307.781 2.510 0 40 DFAB COc1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1 4399781 WJILPUGSOWOJNW-CQSZACIVSA-N 313.353 2.967 0 40 DFAB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)NC1=S 6399071 QIKPDSYIDNYHCQ-FMIVXFBMSA-N 320.414 2.562 0 40 DFAB Cn1nccc1CN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 96013563 PVXJLWBIPHLWCI-GJZGRUSLSA-N 322.453 2.736 0 40 DFAB COC[C@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5325328 IPQCMOSIGKMPPD-JTQLQIEISA-N 310.444 2.805 0 40 DFAB C[C@H](c1ccccc1)N(C)CC(=O)N1CC(=O)Nc2ccccc21 14118009 KNBYJSVTTDKQBB-CQSZACIVSA-N 323.396 2.665 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)c1ccc(F)c(F)c1 5636597 HQJHWLUQOYXWMY-RXMQYKEDSA-N 301.343 2.762 0 40 DFAB Cc1cncc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 80045369 VCVZZUUCKJKMQD-GJZGRUSLSA-N 306.431 2.517 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)NC[C@H]1Cc2ccccc2O1 80003171 PPVMLWKPKGLPDX-MRXNPFEDSA-N 312.369 2.537 0 40 DFAB COc1ccc(CNCCc2ccn(-c3ccccc3)n2)cc1O 71792587 NRZOHSWOPOHDAI-UHFFFAOYSA-N 323.396 2.919 0 40 DFAB O=C(NCC(F)F)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490517 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COC(=O)NC(C)(C)C(=O)NCC1(c2cccs2)CCCC1 69485478 LUPLGLZSTMPFMS-UHFFFAOYSA-N 324.446 2.811 0 40 DFAB Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)o1 91759513 BVSLACCQPJSEDI-BXUZGUMPSA-N 322.311 2.518 0 40 DFAB COc1cc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)ncn1 96501640 VASQZBGUXAUBFG-SECBINFHSA-N 322.315 2.988 0 40 DFAB COc1ccc(F)cc1CS[C@H](C)C(=O)Nc1ncccn1 69741833 WNSRFDNOTYPJSY-SNVBAGLBSA-N 321.377 2.885 0 40 DFAB O=C(NC1CC1)N1CCC(c2nc(-c3ccccc3)no2)CC1 69703662 BUEIZXVJIIBXKL-UHFFFAOYSA-N 312.373 2.788 0 40 DFAB CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccn(C)c2=O)C1 84811962 LKMCWUIXDMQVOM-VXGBXAGGSA-N 309.435 2.571 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)nc1 69869592 GSEAJIGOXFHWND-GFCCVEGCSA-N 309.797 2.855 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C[C@H](O)c2cccc(F)c2)c1 69924829 UXLATPQNUYUQEL-SJORKVTESA-N 303.381 2.529 0 40 DFAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCCC1 8709960 YEPGCDJBWPKZML-LLVKDONJSA-N 315.373 2.557 0 40 DFAB O=C(NC1CCCC1)N[C@@H]1CCN(c2c(F)cccc2F)C1 87021013 OCEUGYXESYKMDG-GFCCVEGCSA-N 309.360 2.785 0 40 DFAB Cc1sc(-c2ccco2)nc1C(=O)Nc1c[nH]ccc1=O 84057168 FDCFWKJVMBQKAU-UHFFFAOYSA-N 301.327 2.652 0 40 DFAB CC[C@H](C)OCc1nn(CC)cc1I 408716724 QFUTZWYKQSTDAX-QMMMGPOBSA-N 308.163 2.823 0 40 DFAB CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61718131 XIUWKKNNYCUAPM-UHFFFAOYSA-N 320.776 2.746 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 97055223 HOBDTJGTMRMKJF-PQEBFOHHSA-N 300.402 2.583 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 72235664 QPAWVPPTUPQDDM-CQSZACIVSA-N 302.378 2.582 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c2ncccc12 72234103 PVOMGWBDIVXLBP-HNNXBMFYSA-N 323.400 2.891 0 40 DFAB C[C@H]1[C@@H](C)SCCN1C(=O)NC1CC(C)(C)NC(C)(C)C1 95960275 SYSQGTDVYRLBNT-NWDGAFQWSA-N 313.511 2.831 0 40 DFAB CC(C)[C@H](C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89791226 NEPQMQLLNPBGEX-LBPRGKRZSA-N 306.381 2.656 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccnn2C)s1 76084746 FBOMSSQYMOMJFQ-LLVKDONJSA-N 321.450 2.650 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccn3)cc2)n1 61109211 HOAXHUBKWQCAAX-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB Cc1nc2ccc(NC(=O)c3cn(C)nc3C(F)F)cc2[nH]1 535099198 IGJYDQNCAYFUTK-UHFFFAOYSA-N 305.288 2.795 0 40 DFAB COCCn1cc(CC(=O)NCc2ccncc2)c2ccccc21 79487503 CCCHMBLBNVJOAH-UHFFFAOYSA-N 323.396 2.542 0 40 DFAB CCCC[C@H](NC(N)=O)c1nc(-c2ccc(OC)cc2)no1 78774136 RNDZJCVTPWPZJS-LBPRGKRZSA-N 304.350 2.645 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2cccc(C(=O)OC)c2)CC1 78671114 YANMRBKIIAIWKG-INIZCTEOSA-N 319.401 2.895 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)c(Cl)c1Cl 1574351292 LYRBGHBDJUIAJG-SECBINFHSA-N 302.157 2.991 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)CCC2CCCC2)C[C@@H](C)O1 40047419 YGCAMBKYOPHVMC-GASCZTMLSA-N 310.482 2.961 0 40 DFAB CCOC(=O)c1cc(NC(=O)Cc2noc3ccccc23)c[nH]1 75258686 ZMRYTKIVTKNHCR-UHFFFAOYSA-N 313.313 2.514 0 40 DFAB COc1ccc(-n2cnc(C(=O)Nc3cccc(C)n3)c2)cc1 226753401 PBTMLNKNEWRJMK-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB O=C(c1cc(OC(F)F)ccc1F)N1CCCc2n[nH]cc21 529203906 YSMLIGYVWADRFM-UHFFFAOYSA-N 311.263 2.743 0 40 DFAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCOCC1 225000949 RPQIACZTSDABKD-KRWDZBQOSA-N 303.402 2.582 0 40 DFAB CCCc1noc([C@@H]2CCCCN2C(=O)c2cc(C)no2)n1 40714894 GHTYQPCMEFHJNH-NSHDSACASA-N 304.350 2.686 0 40 DFAB COCc1nc2n(n1)CCC[C@H]2NC[C@H](C)c1ccc(F)cc1 195573398 VXXOWXKJPSQPMT-SWLSCSKDSA-N 318.396 2.792 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccn3)c12 44896501 QILWVDUJSUXBAF-UHFFFAOYSA-N 323.400 2.725 0 40 DFAB CCS(=O)(=O)Nc1ccc(C(=O)NCC2=CCCCC2)cc1 224109744 PTJMUQZDJSDWKG-UHFFFAOYSA-N 322.430 2.678 0 40 DFAB CSc1nnc(NS(=O)(=O)c2cc(C)ccc2C)s1 225814658 XVVJBQKXEQBGMK-UHFFFAOYSA-N 315.445 2.678 0 40 DFAB Cc1cnccc1NC(=O)Nc1ccn(Cc2ccncc2)n1 192418772 CNPRADDYHJKTQV-UHFFFAOYSA-N 308.345 2.674 0 40 DFAB CN(C)c1ccnc(CNC(=O)Nc2ccc(Cl)cc2)n1 224193479 TUCCXWJYRJJSEX-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21 80359216 IECVSSYSHATINB-MRXNPFEDSA-N 324.380 2.845 0 40 DFAB Cc1ccc(CNC(=O)NCc2nccn2CC(C)C)s1 96439107 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c1csc(CN(C[C@@H]2CCCO2)c2ncnc3[nH]cnc23)c1 96482719 UINOTMAMTHEMOO-NSHDSACASA-N 315.402 2.600 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 96038995 ITOPJISNORFFIT-ZWKOTPCHSA-N 305.418 2.713 0 40 DFAB c1csc(CN2CC3(CCN(Cc4ccsc4)C3)C2)n1 96046483 QOAICMZYAZHFHS-UHFFFAOYSA-N 305.472 2.913 0 40 DFAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)C1=CCCC1)C2 96040557 YYMAOUVGSLBOJG-FUHWJXTLSA-N 307.434 2.919 0 40 DFAB CCN1CCC(N2CC[C@@H](c3cc(NC)cc(C)n3)C2)CC1 257327480 XBMVUGJUAVDSNJ-OAHLLOKOSA-N 302.466 2.705 0 40 DFAB CNc1cc(C)nc([C@H]2COCCN2Cc2ccc(C)s2)n1 257340777 ZHNDZIUDMLHOGM-CQSZACIVSA-N 318.446 2.770 0 40 DFAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2CCOc1ccc(F)cc1 257211584 BZKPZVRUZTZJAE-DLBZAZTESA-N 320.408 2.680 0 40 DFAB CNc1cc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)ccn1 257331229 XRXMAAUGAAKKIW-CQSZACIVSA-N 314.389 2.748 0 40 DFAB CCc1nc2ccccc2c(C(=O)NCc2cnn(C)c2)c1C 252498863 ROHHRLVIAIZRMK-UHFFFAOYSA-N 308.385 2.769 0 40 DFAB CN(C(=O)c1ccccc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257338168 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DFAB C[C@H]1CCCN(CC(C)(C)NC(=O)c2ccnn2C(F)F)C1 19496553 GYEMSJKRGKWHMA-NSHDSACASA-N 314.380 2.519 0 40 DFAB CCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226351293 LOFNHBBTTUPDIJ-UHFFFAOYSA-N 318.354 2.868 0 40 DFAB CCC(=O)N1CCN(c2nc3c(C)c(C)ccc3s2)CC1 5239996 PMFUAJBWSWCZHE-UHFFFAOYSA-N 303.431 2.972 0 40 DFAB Cc1cccnc1CN1CCCC[C@H]1c1cc(O)n2ccnc2n1 643914107 KXHNGNONRKROKD-INIZCTEOSA-N 323.400 2.866 0 40 DFAB CCn1nnc2cc(C(=O)N3CCc4ccccc4C3)ccc21 15338971 BZEPZWJZYFUAAD-UHFFFAOYSA-N 306.369 2.650 0 40 DFAB CC[C@H]1CCCCN1CC(=O)NC(=O)Nc1ccc(OC)cc1 24164714 ZOAGFWAYVNHCEN-AWEZNQCLSA-N 319.405 2.608 0 40 DFAB O=C(Cc1cccs1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565519400 GQNLQKWVMIFGIC-STQMWFEESA-N 301.415 2.882 0 40 DFAB CSc1nc2ccc(NC(=O)C3=COCCO3)cc2s1 6454255 JBHZDTUASHKOMI-UHFFFAOYSA-N 308.384 2.845 0 40 DFAB C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc23)C[C@@H](C)O1 17246992 FUDPJBJZLBBXRV-INMHGKMJSA-N 315.413 2.689 0 40 DFAB CN(C)Cc1ncn2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)CCC2 2055718389 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O=C(NC[C@H](CO)Cc1ccccn1)Nc1ccccc1Cl 96455475 AZTNXDJUXROFAG-GFCCVEGCSA-N 319.792 2.708 0 40 DFAB CO[C@H]1CCOC2(C1)CN(C(=O)c1ccc3ccccc3c1)C2 247947375 KENUQQHIYSXPDQ-KRWDZBQOSA-N 311.381 2.860 0 40 DFAB C[C@H]1CN(c2ccc(N[C@H]3C[C@@H](C)OC3=O)cc2F)C[C@H](C)O1 245339281 RRNALEAXKDHPIT-YXMPFFBPSA-N 322.380 2.555 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@H]1c1cncc(C)n1 257231109 GFGRONAPYMFFQE-HNNXBMFYSA-N 312.373 2.556 0 40 DFAB CNc1ncccc1CN1CCCC[C@@H]1c1ccn2ccnc2n1 257344889 ZZAXCCYKWODGEW-MRXNPFEDSA-N 322.416 2.893 0 40 DFAB Cc1cc(NC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)no1 69568121 ZWLOFOKAOVRYQL-CYBMUJFWSA-N 303.337 2.550 0 40 DFAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2cc[nH]n2)n1 257337247 YSACMCGQTYEULD-OAHLLOKOSA-N 324.388 2.809 0 40 DFAB c1ccc(-c2ncc(CN[C@H]3CCc4ncnn4C3)s2)cc1 69564618 RGQYSWOFIAIOCC-ZDUSSCGKSA-N 311.414 2.506 0 40 DFAB Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1ccn[nH]1 257319876 VUKHZXWOMQBCFS-CQSZACIVSA-N 305.403 2.634 0 40 DFAB O=C(COCC1CC1)Nc1ccc2sc(C(=O)O)cc2c1 263245191 MRENPZVNCWBMTJ-UHFFFAOYSA-N 305.355 2.965 0 40 DFAB CCN1CCC(NC(=O)Cc2csc(C(C)(C)C)n2)CC1 69656408 GXUYYLAESNVKJP-UHFFFAOYSA-N 309.479 2.584 0 40 DFAB CCN(CC)CCNC(=O)c1c(Cl)c2ccccc2n1C 63445219 ZUUBJXAKXWHTQW-UHFFFAOYSA-N 307.825 2.903 0 40 DFAB C[C@@H]1CN([C@@H](CNCc2ccccn2)c2cccs2)CCO1 72254132 PJUQATPPQCRFCU-ZBFHGGJFSA-N 317.458 2.695 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)n1 72235351 VUNDFGGKCBQUBS-NSHDSACASA-N 308.769 2.619 0 40 DFAB CNC(=O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1 43670484 CYNDZLSVKGPEQX-UHFFFAOYSA-N 303.387 2.772 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1occc1-c1ccccc1 75143468 ZUNRLWDOEFWIMX-INIZCTEOSA-N 305.399 2.790 0 40 DFAB Cc1noc(C)c1CNC(=O)N1CCc2c(F)ccc(F)c2C1 84154584 YCIMNIILFXJIGH-UHFFFAOYSA-N 321.327 2.838 0 40 DFAB C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cn2ccccc2n1 84638449 JJRBUSLEAFUBFA-CYBMUJFWSA-N 318.421 2.679 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)n[nH]2)cc1 14215358 GAXUODDORMCOAD-UHFFFAOYSA-N 320.352 2.736 0 40 DFAB O=c1c2sccc2nc2n1CCN(Cc1cccs1)CC2 19343708 WJPCDMNGBLJMHT-UHFFFAOYSA-N 317.439 2.578 0 40 DFAB O=C(N[C@H](C(=O)O)c1ccccc1F)OCc1ccccc1 16158633 XCCSKLSUZZWAKG-AWEZNQCLSA-N 303.289 2.878 0 40 DFAB Cc1ccccc1NC(=O)NCC1CCN(C(=O)N(C)C)CC1 390831081 PMZJLCYKEFZYAM-UHFFFAOYSA-N 318.421 2.510 0 40 DFAB Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C1CC1 4414972 OARKMFOEVCUEEO-UHFFFAOYSA-N 300.358 2.818 0 40 DFAB Cc1cnc(C(=O)OCC(=O)c2cccc3ccccc23)cn1 11480840 DPUKCWQGXHHTEE-UHFFFAOYSA-N 306.321 2.978 0 40 DFAB COC(=O)c1cc(-c2coc3cc(O)ccc3c2=O)c(C)o1 5447343 ZHUFEHQRVMTCSC-UHFFFAOYSA-N 300.266 2.854 0 40 DFAB Cc1cc(Br)cc(C(=O)NCc2ncoc2C)c1 130421509 IWZIJRXNNWGLGZ-UHFFFAOYSA-N 309.163 2.984 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nsnc2c1 158450 JOPLEJSGFDFBOE-UHFFFAOYSA-N 313.338 2.715 0 40 DFAB Cc1ccc2nc(C)c(NC(=O)NCc3ccccc3)c(=O)n2c1 11694606 TUXPDCHCLPIVTB-UHFFFAOYSA-N 322.368 2.633 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccncc2)Oc2ccc(Cl)cc21 15083893 VBXPCGFGEYODQW-CQSZACIVSA-N 302.717 2.708 0 40 DFAB COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(F)ccc21 100872649 LZGHYAAXZWTHAD-VKAVYKQESA-N 310.394 2.962 0 40 DFAB COC1(CNC(=O)c2cccc(N(C)C)c2)Cc2ccccc2C1 225719146 LUNXMKBRGAIQCM-UHFFFAOYSA-N 324.424 2.666 0 40 DFAB CCN(CC(=O)NC(C)(C)C)C[C@@H](O)c1ccccc1Cl 40105790 ZVDDLAYFCKZTHZ-CQSZACIVSA-N 312.841 2.610 0 40 DFAB CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)C1CCCCC1 40457532 KLSIDUIEKOLGAV-UHFFFAOYSA-N 309.431 2.636 0 40 DFAB CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 20301887 IPVMKHHSDMCFGV-UHFFFAOYSA-N 319.007 2.664 0 40 DFAB Cc1noc(CCCC(=O)N2CCC[C@H](C(F)(F)F)C2)n1 40529859 XFFOHKBWYIIUOP-JTQLQIEISA-N 305.300 2.502 0 40 DFAB Cn1c(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc(Cl)c1Cl 53385328 SAGICAABTSZHMZ-ONGXEEELSA-N 303.189 2.725 0 40 DFAB Brc1ccc(-c2noc(C3CCNCC3)n2)cc1 324397 FZXZNTWKHMPWMP-UHFFFAOYSA-N 308.179 2.966 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=O)c3cc4ccccc4o3)ccc21 467854 NVIHPLVUGWRHEM-UHFFFAOYSA-N 321.336 2.876 0 40 DFAB CCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)C1 53408244 BIUBNALUIQQEPL-MRXNPFEDSA-N 300.446 2.956 0 40 DFAB COc1ccc(S(=O)(=O)c2coc3ccccc3c2=O)cc1 1608428 BMCPZASGVCTZGM-UHFFFAOYSA-N 316.334 2.634 0 40 DFAB CCN(CC)C(=O)CNC(=O)C(c1ccccc1)c1ccccc1 1628094 SOMFKHWGRSIHAN-UHFFFAOYSA-N 324.424 2.803 0 40 DFAB Cc1nc(CCNC(=O)NCc2ncc(C(C)(C)C)o2)cs1 78973973 XFDKIWNNOBSHTH-UHFFFAOYSA-N 322.434 2.779 0 40 DFAB Cc1cc(C)cc(-n2c(C)cc(/C(O)=N/S(C)(=O)=O)c2C)c1 79137652 UBPNBHRAPWFTBF-UHFFFAOYSA-N 320.414 2.975 0 40 DFAB CC(=O)COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 6478791 BMPMPLJSGJLHGL-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB COc1ccccc1C(=O)Nc1c(O)c2ccccc2oc1=O 6823190 OTPIWGYQOHIETA-UHFFFAOYSA-N 311.293 2.760 0 40 DFAB CC(C)CCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 6906724 JVJLBBMFVAXHQH-HNNXBMFYSA-N 308.397 2.742 0 40 DFAB COc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1F 54610183 HIIPBVKIZSIRPK-BDJLRTHQSA-N 302.349 2.712 0 40 DFAB CCCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 106577546 TXFFWDUEHIJDKE-ROUUACIJSA-N 316.445 2.622 0 40 DFAB COc1cc(C(=S)NCCc2ccccc2)cc(OC)c1O 9188110 VBMXUCXMPBJLCD-UHFFFAOYSA-N 317.410 2.917 0 40 DFAB Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 106927942 SBJKFOLZGCLTBA-XKQJLSEDSA-N 310.397 2.914 0 40 DFAB O=S(=O)(Nc1cccc2[nH]ccc12)c1ccc2c(c1)CCO2 95393783 HBPPMQMHXQAIDU-UHFFFAOYSA-N 314.366 2.904 0 40 DFAB CCn1nc(C)c2ncnc(NC3CC(C)(C)NC(C)(C)C3)c21 57280080 ODTMFMTZEGCZED-UHFFFAOYSA-N 316.453 2.876 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N[C@@H]1CCCc2ccccc21 3223377 ZDJZMWWPRLVNHF-OAHLLOKOSA-N 314.410 2.606 0 40 DFAB O=c1cc(CN2CCCc3cc(F)ccc32)nc2ccccn12 26624426 IZKOFFFOJXXQKC-UHFFFAOYSA-N 309.344 2.786 0 40 DFAB CC(C)CNC(=O)CN1CCC[C@H]1COc1ccc(Cl)cc1 26722679 PYESHGPAXHYRGG-HNNXBMFYSA-N 324.852 2.955 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 26860041 MYIJNPPCSCUFFE-UHFFFAOYSA-N 311.769 2.542 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 27370284 MZCAGGULXHBFPR-FRRDWIJNSA-N 319.405 2.525 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccnc(Cl)c1)c1cccs1 27680235 LCTLMYYVQYYULV-NSHDSACASA-N 309.822 2.829 0 40 DFAB CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 58290491 PNZQYWJHFYNOCH-UHFFFAOYSA-N 314.433 2.757 0 40 DFAB COCCn1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2F)cn1 44969041 GGLHZLKQKPKFJB-JTQLQIEISA-N 324.331 2.690 0 40 DFAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)CCc1ccccc1Cl)CCO2 107720295 DEJAHVKNXYVEJI-INMHGKMJSA-N 323.820 2.677 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCO1 48151276 PJGYFHNJXNUSQG-WFASDCNBSA-N 300.362 2.561 0 40 DFAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc(C)c(C)c2)c1 48272100 DUMNHHSKGYFGNW-UHFFFAOYSA-N 313.353 2.673 0 40 DFAB Cc1nc2ccccc2nc1CSc1nc2ncccn2n1 48235105 HLJXDVRSAOHRSL-UHFFFAOYSA-N 308.370 2.668 0 40 DFAB Cc1nc(C(=O)Nc2cn[nH]c2)nn1-c1ccccc1C(C)C 58316980 BFLYJCHGGRVXJX-UHFFFAOYSA-N 310.361 2.675 0 40 DFAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1 58329954 MUTVNKFQQOWYPB-CALCHBBNSA-N 303.402 2.795 0 40 DFAB COc1ccc(CNCCC(=O)NC2CCCCC2)cc1OC 45089692 YUHXKSYNALMSKX-UHFFFAOYSA-N 320.433 2.632 0 40 DFAB C[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccsc1 28021033 LUSYKJAMYLUXDP-SNVBAGLBSA-N 308.428 2.587 0 40 DFAB CNc1snc(C)c1C(=O)N(C)CCOc1ccc(F)cc1 28091177 RUMUUTOADQEHTG-UHFFFAOYSA-N 323.393 2.783 0 40 DFAB CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)c2ccccc21 95411589 CLJSULXUDOTXLA-INIZCTEOSA-N 312.413 2.712 0 40 DFAB COc1ccc2[nH]c(=O)c(CNCc3cccs3)cc2c1 57466955 ZWOILIUIYMSJDV-UHFFFAOYSA-N 300.383 2.888 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccccc1 10302040 HRHHECHAYHACRU-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB COCCOc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cn1 36834817 CRIYQZYWQYIPPI-GFCCVEGCSA-N 319.188 2.629 0 40 DFAB C[C@H](OC(=O)c1ccc(O)cc1)c1nc(-c2cccnc2)no1 45936101 BPVSXQWLESKMKO-JTQLQIEISA-N 311.297 2.755 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(F)cc1 3510805 HUEAIKXQWPGKKU-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 13001511 MSBAJOIZDJVWFG-UHFFFAOYSA-N 310.397 2.959 0 40 DFAB COc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1 13121962 UKXRUPOIAKFFCM-SJLPKXTDSA-N 307.353 2.586 0 40 DFAB O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 13263428 VHCWWQHZZNFJRT-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB in-vitro CCOC(=O)Cc1csc(NC(=O)c2cccc(C)c2)n1 4167693 WKAROJMBLRLEIF-UHFFFAOYSA-N 304.371 2.809 0 40 DFAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(C)CC1 19571481 ODQDIFCIBWZDMI-UHFFFAOYSA-N 310.825 2.581 0 40 DFAB CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 5270845 TUTYFQVUJNFLSV-ZDUSSCGKSA-N 308.765 2.671 0 40 DFAB COc1ccc(N(C(=O)c2cccc[n+]2[O-])[C@@H](C)C2CC2)cc1 65515792 SAWICEDDKLTUAM-ZDUSSCGKSA-N 312.369 2.774 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 65591568 QTHFJJLGDOQBET-DOMZBBRYSA-N 319.424 2.951 0 40 DFAB COc1ccc(CCNC(=O)CCc2ccc(OC)cc2)cc1 5526961 WBNCLOAXJLVYHH-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB C[C@@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@@H](C)O1 5629007 ZCVKCRRYQNDZSY-GHMZBOCLSA-N 306.387 2.556 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1F 6789855 FOCMZRWUIXJXDA-UHFFFAOYSA-N 322.336 2.795 0 40 DFAB NC(=O)Cc1ccc(NC(=O)c2sccc2C2CC2)cc1 67162315 KRHMPGJRXBUYDX-UHFFFAOYSA-N 300.383 2.906 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 9328394 PBAFMONUGKAWME-UHFFFAOYSA-N 318.402 2.540 0 40 DFAB CC(=O)Nc1nc(COC(=O)c2cc3ccccc3[nH]2)cs1 9335623 KDSLJIQOCPJZGI-UHFFFAOYSA-N 315.354 2.940 0 40 DFAB NC(=O)C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 93809200 VRDXEBGTYMUADX-LBPRGKRZSA-N 316.323 2.673 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N3CCCC3)C2)C1 80558307 MPDHBZJJHBQJDG-QLFBSQMISA-N 311.495 2.540 0 40 DFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccncc1 15997845 YMTXQWOTCDKYDG-UHFFFAOYSA-N 319.364 2.946 0 40 DFAB CN(C)C(=O)c1ccc(NCCCc2nc3ccccc3[nH]2)nc1 80970277 DGMBOVZCRJTYAM-UHFFFAOYSA-N 323.400 2.704 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CC=C(c2ccccc2)CC1 7985337 YFDKHXQQXIODEB-CQSZACIVSA-N 324.380 2.714 0 40 DFAB O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cccnc1 96456430 KFZXNWZTNOITHU-AWEZNQCLSA-N 301.777 2.744 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@@H]1CO)c1c(F)cccc1Cl 81511121 LYIPSEKJLMHQDQ-NXEZZACHSA-N 300.761 2.706 0 40 DFAB Cc1cccc(N(C)C(=O)c2ccccc2SCC(N)=O)c1 69349100 HSKYCJOHNFGRFA-UHFFFAOYSA-N 314.410 2.849 0 40 DFAB O=C(Cc1cccs1)NCc1nc(-c2ccc(F)cc2)n[nH]1 71858764 UERKDGBTINEBFM-UHFFFAOYSA-N 316.361 2.531 0 40 DFAB CCOc1ccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cn1 91693464 FJOMTWILSMIPAN-ZIAGYGMSSA-N 301.346 2.627 0 40 DFAB CC[C@@H](C)NC(=O)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 69513165 XCRJZPCYKBFNNO-SNVBAGLBSA-N 321.808 2.856 0 40 DFAB C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 71857434 FKSMAAIZAVYMJK-GUYCJALGSA-N 312.413 2.613 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1 69899145 ODXGWPRWSXMZEK-ROUUACIJSA-N 315.461 2.880 0 40 DFAB CCCC(=O)N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl 19990431 SJLWCXZPVWTIMJ-LLVKDONJSA-N 324.639 2.784 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCCCCC1 87249685 JHPWZJQAWAYWLM-ZDUSSCGKSA-N 305.426 2.651 0 40 DFAB Cc1noc(-c2ccccc2)c1C(=O)NCCOc1cccnc1 97108211 OSVIFWVORKBTJL-UHFFFAOYSA-N 323.352 2.854 0 40 DFAB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)Nc1ccncc1F 97135581 IGZLRRQNAPVCPR-QFIPXVFZSA-N 321.377 2.622 0 40 DFAB Cn1c(SC[C@H](O)c2cc(F)ccc2F)nnc1C1CC1 95951615 XJESWOYZKIZOGC-LBPRGKRZSA-N 311.357 2.796 0 40 DFAB COc1ccc(CNC(=O)c2cnoc2-c2ccccc2)cc1O 95981381 OZLMGLGPMQZBSZ-UHFFFAOYSA-N 324.336 2.986 0 40 DFAB Cc1noc(C)c1CNC(C)(C)C(=O)NCC1CCCCC1 95981804 HNKVCVLEUXXLLX-UHFFFAOYSA-N 307.438 2.856 0 40 DFAB O=C(C[C@H]1COCCN1C(=O)c1cccs1)c1ccccc1 95965410 OUEWRZDGZQXXJN-AWEZNQCLSA-N 315.394 2.862 0 40 DFAB COC[C@H](C)Nc1cccc(NC(=O)CCN2CCCCC2)c1 95962410 ORFYZLDJYQWTMS-HNNXBMFYSA-N 319.449 2.948 0 40 DFAB Cc1occc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 89540646 DQPXZNRNLAEHCG-UHFFFAOYSA-N 314.263 2.811 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccnc1 75130580 KDUUSYWJAABZSP-IKGGRYGDSA-N 324.428 2.899 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c(=O)[nH]1 75121136 NGKJYZRCCPZMJF-OAHLLOKOSA-N 314.360 2.670 0 40 DFAB c1cc(OC[C@@H]2CCCO2)cc(-c2nc([C@H]3CCOC3)no2)c1 89780698 PSPAGILROVBDBF-ZFWWWQNUSA-N 316.357 2.798 0 40 DFAB c1cc(OC[C@@H]2CCCO2)cc(-c2nc([C@@H]3CCOC3)no2)c1 89780696 PSPAGILROVBDBF-HIFRSBDPSA-N 316.357 2.798 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccncc1 75602125 HFCBYJXLSDXNTH-LBPRGKRZSA-N 304.781 2.754 0 40 DFAB CCn1cccc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O 409392951 OKDSBPQXNHLPBY-YBEGLDIGSA-N 323.421 2.895 0 40 DFAB O=C(O[C@@H]1CCSC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 66730396 IXLSDORHCOSYOR-HUUCEWRRSA-N 319.426 2.588 0 40 DFAB CC[C@@H](NC(=O)c1cc(O)nc(C2CC2)n1)c1c(C)noc1C 517172381 LDEPLIJQFRFXDX-LLVKDONJSA-N 316.361 2.546 0 40 DFAB c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCNCC2)cc1 72216331 AAWWVCMRDLGASW-LJQANCHMSA-N 322.456 2.828 0 40 DFAB Cc1nn([C@H]2CCOC2)c2ncc(C(=O)c3ccccc3O)cc12 521396833 BWMQNYPDKFLSGN-ZDUSSCGKSA-N 323.352 2.638 0 40 DFAB Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2CCO)n1 72382635 ADNMMOSEMQDVTF-CYBMUJFWSA-N 319.434 2.504 0 40 DFAB O=C(NCCc1nc(-c2ccsc2)no1)OCC(F)(F)F 78773677 PSDIDEPSAPYNFK-UHFFFAOYSA-N 321.280 2.629 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@H]1C 39345279 GOQUZTFUPFRUMB-FVQBIDKESA-N 318.417 2.649 0 40 DFAB Cc1cccc(CC(=O)NCC2CCN(c3ccncc3)CC2)c1 70928390 PJRMRJTVEPAUJF-UHFFFAOYSA-N 323.440 2.965 0 40 DFAB CC[C@@H](N[C@H](C)c1ccccn1)c1cccc(S(N)(=O)=O)c1 125965302 XSJWYIZAJTUWGP-IUODEOHRSA-N 319.430 2.531 0 40 DFAB COC(=O)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1 34925914 CZIKPVSIGIVDNS-UHFFFAOYSA-N 319.320 2.654 0 40 DFAB OC1=N[C@@H](c2cnn(-c3ccc(F)cc3)c2)N2CCCC[C@H]12 78759211 MAFULVJRLNNVPN-HUUCEWRRSA-N 300.337 2.835 0 40 DFAB C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(C)C 43718607 QUMQGWHZNFMPLI-HZMBPMFUSA-N 323.824 2.567 0 40 DFAB COc1ccc(NC(=O)C2(C)CC2)cc1C(=O)N1CCCC1 225959457 SQBNGZYHKCCRQS-UHFFFAOYSA-N 302.374 2.670 0 40 DFAB CCS(=O)(=O)c1ccccc1NC[C@H](O)c1ccccc1C 225518789 QSTSSEMBRRYGPL-INIZCTEOSA-N 319.426 2.934 0 40 DFAB COC(=O)Cc1ccccc1C(=O)N1CCC[C@H]1c1ccco1 225804093 WYIVEIBDYLFOTG-HNNXBMFYSA-N 313.353 2.972 0 40 DFAB COc1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 225719317 ZBJRUNRMFGCKHS-UHFFFAOYSA-N 308.337 2.649 0 40 DFAB CC(C)(C(=O)O)C(=O)NCc1ccnc(OC2CCCCC2)c1 571924822 SJRHYZFPSCRBTO-UHFFFAOYSA-N 320.389 2.520 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)no1 40714783 HBIGTBDCRKRIGU-LLVKDONJSA-N 304.350 2.509 0 40 DFAB CC(C)[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)c2ccccc2N1 81794526 VHHWZYSXVKVTCA-HOCLYGCPSA-N 318.417 2.665 0 40 DFAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C2CC2)cc1 44889154 MLJCHTWBSMIAMC-OAHLLOKOSA-N 305.374 2.604 0 40 DFAB Cn1ccnc1CCN[C@@H](c1ccccc1)c1ccc(F)cn1 195560632 IWLUQFSBUYWFRZ-SFHVURJKSA-N 310.376 2.876 0 40 DFAB Cc1nnc(-c2ccc(NC(=O)CC[C@H]3CCCO3)cc2)o1 96418419 BICBWUSVKCJCKH-CQSZACIVSA-N 301.346 2.943 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@]2(C[C@@H](C(C)C)CO2)C1 96073368 FULVSQCDNOPWIN-PBHICJAKSA-N 306.406 2.959 0 40 DFAB CC(C)OCc1nn(C)c2c1CN(Cc1cccs1)CC2 96084897 WKRPRHXSSOWCBQ-UHFFFAOYSA-N 305.447 2.965 0 40 DFAB CCC(=O)N1CCc2ncnc(Nc3ccc(C)cc3)c2CC1 96255829 CTGYJNFQWVYVKG-UHFFFAOYSA-N 310.401 2.866 0 40 DFAB CC(C)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)C(F)(F)F 98095431 SESFXBYSHTUGNX-VXGBXAGGSA-N 305.296 2.861 0 40 DFAB O=C(CSc1ccc(F)cc1)Nc1cnn([C@H]2CCOC2)c1 96123127 FEDHJSUPEKTETA-ZDUSSCGKSA-N 321.377 2.714 0 40 DFAB CNC(=O)N1CCC2(CC1)CN(C(C)C)c1ccc(F)cc12 96261823 HYSKGZUTQLRUJH-UHFFFAOYSA-N 305.397 2.727 0 40 DFAB COc1nc2ccccc2cc1CNCc1cccc(C(N)=O)c1 95449322 JXIWLQOWJBGNQZ-UHFFFAOYSA-N 321.380 2.632 0 40 DFAB CC[C@@](C)(NC(=O)[C@@H](C)c1cc2ccccc2o1)C(=O)OC 96451216 PPOGOCCCNLDKMO-APPDUMDISA-N 303.358 2.994 0 40 DFAB C[C@]1(CNC(=O)Nc2cnn(CC(F)(F)F)c2)CCCS1 96466943 COUNYKNZPKNYTJ-LLVKDONJSA-N 322.356 2.853 0 40 DFAB COC(=O)CCCc1csc(NC(=O)c2[nH]c(C)cc2C)n1 95415664 DNPFDKOWTMGJQM-UHFFFAOYSA-N 321.402 2.836 0 40 DFAB CCO[C@@H](C)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 96420039 YGKFYGCOEVUCLO-KWQFWETISA-N 306.189 2.568 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)Nc2ncc(C)s2)c(C)o1 96433763 MANPZYZUQUNVDD-AWEZNQCLSA-N 309.391 2.691 0 40 DFAB Cc1ccc(CN2CCC3(CC2)C[C@H](c2cnn(C)c2)CO3)o1 96047794 WZXWFIVEWBKDCV-HNNXBMFYSA-N 315.417 2.860 0 40 DFAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1csc2ccccc12 96041959 SSHVUWUULKBNBK-OFQRWUPVSA-N 317.410 2.920 0 40 DFAB Cc1ccnc([C@]2(C)CCCN2C(=O)c2scnc2C)n1 257280352 OKMJQVRUWYSUAM-HNNXBMFYSA-N 302.403 2.701 0 40 DFAB CC1(c2nccs2)CCN(C(=O)CCN2CCCC2)CC1 257291654 QIACNLRJGVXSGB-UHFFFAOYSA-N 307.463 2.509 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257267281 MGPYROVEYNNSTP-CYBMUJFWSA-N 315.442 2.908 0 40 DFAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2cccs2)C1 257328483 XFURMTGZPWKABE-UONOGXRCSA-N 306.431 2.611 0 40 DFAB CC(C)Cn1cc(NC(=O)NCc2ccc(C(=O)O)cc2)cn1 262971016 ALBWMWBYZUEBDU-UHFFFAOYSA-N 316.361 2.559 0 40 DFAB COc1cc(OC)cc(C(=O)c2cc(OC)cc(OC)c2)c1 90525715 ICBRWQKLAOCTLD-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB O=C(/C=C/c1ccoc1)Nc1ccc(CC(=O)NC2CC2)cc1 96103589 HANHCUZXGVTAAJ-FPYGCLRLSA-N 310.353 2.753 0 40 DFAB O=C(C1CCCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776008018 SUBGEFMPAMNAIX-UHFFFAOYSA-N 307.369 2.566 0 40 DFAB CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(Cl)c1 47892920 SYCLWOZPPDRDFG-SNVBAGLBSA-N 307.785 2.512 0 40 DFAB O=C(NCc1cccs1)N1CCC(Cn2cccn2)CC1 85436393 IDHKDTGEPQTELC-UHFFFAOYSA-N 304.419 2.566 0 40 DFAB O=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 78743513 SZRPTCUJWUJNRB-UKRRQHHQSA-N 311.385 2.682 0 40 DFAB Cc1cc(C)n(C2CN(Cc3ccc(-n4cccn4)cc3)C2)n1 84102112 ZUUZFLAFSNYGST-UHFFFAOYSA-N 307.401 2.743 0 40 DFAB CN(C)c1ncccc1N(C)C(=O)[C@H]1CCOc2ccccc21 79722126 FZFXHQWSZCWYQU-AWEZNQCLSA-N 311.385 2.677 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1 95469149 OYVANLKMHXNUEG-UHFFFAOYSA-N 312.778 2.935 0 40 DFAB COc1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)c(OC)c1 40493726 MKFZOXUCXSWUIT-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB CN(Cc1cc(Cl)ccc1Cl)C[C@@H]1CCS(=O)(=O)C1 96424492 RZANDXGMJCJSET-JTQLQIEISA-N 322.257 2.860 0 40 DFAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12144780 IPWKMSKZCVEVGD-OAHLLOKOSA-N 309.373 2.582 0 40 DFAB Cc1nc2c(c(=O)[nH]1)CN(Cc1c(C)oc3ccccc13)CC2 12185054 JWNHGGHBUMILAS-UHFFFAOYSA-N 309.369 2.691 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CNCc1ccccc1)OCO3 13566533 SDFRZUHNPLSAPS-UHFFFAOYSA-N 308.337 2.547 0 40 DFAB Cc1cccnc1CN1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 643913840 JIFGEDSLEWCPLW-VQIMIIECSA-N 314.404 2.955 0 40 DFAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc3ncsc3c2)C1 4546971 AAGUIDAXNBMURN-NSHDSACASA-N 318.398 2.712 0 40 DFAB COC(=O)c1ccc(F)c(NCC(=O)NC2CCC(C)CC2)c1 40057109 ALBPIOYKKUZEFK-UHFFFAOYSA-N 322.380 2.719 0 40 DFAB CNC[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 40593901 KAFRLCSBLWKPFW-SECBINFHSA-N 317.252 2.582 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2nc(-c3cccnc3)no2)C1 40510975 LYLRRDPGAUTXGZ-CHWSQXEVSA-N 314.389 2.569 0 40 DFAB Cc1cc(C)nc(N2CCC(NC(=O)C3CCCCC3)CC2)n1 20890281 NRCNZKNKRJJDMK-UHFFFAOYSA-N 316.449 2.759 0 40 DFAB COc1ccc(OCCNC(=O)c2cc(C)ccc2O)cc1 32772425 DSFKGBPKYGALTO-UHFFFAOYSA-N 301.342 2.518 0 40 DFAB CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(C(=O)O)cc2)C1 41539086 BWLHTRAQVOVRCJ-ZDUSSCGKSA-N 307.346 2.693 0 40 DFAB CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC(C)C)cc1 1343408 UOGZEKVOJVQJJS-OAHLLOKOSA-N 319.405 2.606 0 40 DFAB Cc1ccc(Cn2cccc/c2=N/C(=O)CN(C)C(C)C)cc1 103922182 QTLJUMMUCMCGFF-ZZEZOPTASA-N 311.429 2.612 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@H](C)[C@H](N(C)C)C1 78895623 AELMALYIYGXQEV-APPDUMDISA-N 317.408 2.566 0 40 DFAB Cc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(=O)[nH]c2c1 79190980 NZOCODOONRQUTF-UHFFFAOYSA-N 323.440 2.883 0 40 DFAB biogenic Cc1cc(NC(=O)COC(=O)Cc2cccc3ccccc23)no1 3508120 UEEPZTASYRDPIY-UHFFFAOYSA-N 324.336 2.861 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1 6314221 JUZSKXRMSNRGTQ-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCCCC[C@H](C)NC(=O)Cn1cnc2sccc2c1=O 7086332 VXWKSZKRAZNXTF-NSHDSACASA-N 307.419 2.543 0 40 DFAB Cc1cc(C)c2cc(C(=O)N[C@H](C(N)=O)c3ccccc3)[nH]c2c1 54704388 SSZXEVNJPVKSBU-KRWDZBQOSA-N 321.380 2.741 0 40 DFAB COc1cccc(CNC[C@H](C)O)c1OCc1ccccc1 8498056 PVGOZSCKBLOTMF-AWEZNQCLSA-N 301.386 2.745 0 40 DFAB O=S(=O)(C[C@H](O)CSc1ccccc1)c1ccccc1 1385793 DGCBBLQTZSEPEX-CYBMUJFWSA-N 308.424 2.614 0 40 DFAB Cc1nc2nc(NCc3ccccc3F)nn2c(O)c1Cl 9109310 QGPCOUHAEYFXCP-UHFFFAOYSA-N 307.716 2.543 0 40 DFAB COCCOc1ccc(NC(=O)Nc2cc(C)on2)c(C)c1 56334785 CEZBFFHPPYQXBH-UHFFFAOYSA-N 305.334 2.961 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2OC)c1C 12685544 OUSKDVHKJFMEMT-UHFFFAOYSA-N 316.357 2.987 0 40 DFAB O=C(C[C@@H]1[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)N1CCCC1 107745909 YIPXDIUOSYRSAU-BJWYYQGGSA-N 302.393 2.516 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(N)=O)cc1 48277315 FJFXRWQTFJXDPV-AWEZNQCLSA-N 314.410 2.997 0 40 DFAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccccc1 1919405 ITABYGYYHCHQIO-UHFFFAOYSA-N 303.745 2.813 0 40 DFAB COCCCc1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 58167940 YFQSLWOPYVSTBW-UHFFFAOYSA-N 317.418 2.915 0 40 DFAB COc1ccccc1CNC(=O)c1ccc2c(c1)nc(C)n2C 58154678 DACBXPWNKDQINX-UHFFFAOYSA-N 309.369 2.820 0 40 DFAB COc1ccc(CN(C)C(=O)NCc2nc(C)cs2)cc1 44894037 DFBZWSBAWSQYTK-UHFFFAOYSA-N 305.403 2.802 0 40 DFAB COCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 44894177 SWGBGGPQOODRDG-UHFFFAOYSA-N 308.765 2.690 0 40 DFAB O=C(CSCc1ccncc1)Nc1ccc2c(c1)CCO2 58293510 QMYTWERZZXUYGE-UHFFFAOYSA-N 300.383 2.888 0 40 DFAB CN(Cc1nc2ccccc2s1)c1ncnc2c1cnn2C 12754752 SHUMKQHDIVRBCM-UHFFFAOYSA-N 310.386 2.609 0 40 DFAB COCCn1cc(NC(=O)NC2(c3ccccc3)CCC2)cn1 58218949 BFGZBQFIZCEUKT-UHFFFAOYSA-N 314.389 2.730 0 40 DFAB O=S(=O)(c1cc(-c2ccno2)cs1)N1CCCCCC1 44903959 ZETDFSLZWXHUSU-UHFFFAOYSA-N 312.416 2.968 0 40 DFAB Cc1ccc2c(CCN[C@@H](C(N)=O)c3ccccc3)c[nH]c2c1 58314320 GPYIFJZZAFDQFX-GOSISDBHSA-N 307.397 2.835 0 40 DFAB Cc1c(C)n(C)c2ccc(C(=O)NCCCn3ccnc3)cc12 27979517 RZPPQMKHPXPQCL-UHFFFAOYSA-N 310.401 2.812 0 40 DFAB C[C@H](O)c1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 58407671 XHIHNRAFXLYIOH-TVQRCGJNSA-N 302.201 2.940 0 40 DFAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cccc(F)c1 9061255 RRNZIGJVNRUTNM-CYBMUJFWSA-N 300.289 2.554 0 40 DFAB C[C@H](Cc1c(F)cccc1F)NC(=O)N1C[C@@H](C)O[C@H](C)C1 109045888 SGISAVORUPXZAR-IJLUTSLNSA-N 312.360 2.715 0 40 DFAB CCOC(=O)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 48368151 YQJDHGSWLNRPPB-UHFFFAOYSA-N 313.401 2.647 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H](C)n2cccn2)cc1 12904199 LDDZGDOOECGMFD-UTSBKAFOSA-N 313.357 2.659 0 40 DFAB CO[C@@H](c1nc2c([nH]1)CC(C)(C)CNC2=O)c1cccs1 65465649 ARPHHCWLPBDTAC-GFCCVEGCSA-N 305.403 2.519 0 40 DFAB CCc1nc2cc(S(=O)(=O)Nc3cccnc3)ccc2o1 96007275 ZZOSWLNXDVZYBE-UHFFFAOYSA-N 303.343 2.586 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14483456 CHSUPKBWYGUSOL-SNVBAGLBSA-N 313.309 2.635 0 40 DFAB C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C 4648915 JUOJRKSGBSGLNG-LUYZLQTOSA-N 300.402 2.733 0 40 DFAB O=c1c2ccccc2nnn1CSc1nc2ccccc2o1 5629001 YNQINNDSPOGBLE-UHFFFAOYSA-N 310.338 2.683 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccco1 6789834 HEEIKLLDGAQQLV-BQYQJAHWSA-N 302.355 2.509 0 40 DFAB COC(=O)c1ccc(COc2ccc(N3CCCC3=O)cc2)o1 7063106 MQXLLWKZMVWHQU-UHFFFAOYSA-N 315.325 2.772 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2F)c1 7053968 ZJQIDMAFWWPPIN-UHFFFAOYSA-N 308.334 2.585 0 40 DFAB CCc1n[nH]c(=S)n1NC(=O)Cc1cccc2ccccc12 9477070 MPGCOXNGNVXYSP-UHFFFAOYSA-N 312.398 2.969 0 40 DFAB C[C@H](NC[C@@H](C)[S@](C)=O)c1ccccc1Br 90842530 HVGVWGDVXSOYOS-KCWFYHRYSA-N 304.253 2.867 0 40 DFAB CN(CCN(C)c1ccccc1)Cc1nnc(-c2ccco2)o1 69739469 MHDQUYGHBIUZTH-UHFFFAOYSA-N 312.373 2.898 0 40 DFAB CC(C)Cc1ccc([C@@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 69811032 ZSWXGAIWYCLPSY-SJLPKXTDSA-N 314.429 2.731 0 40 DFAB Nc1nc(CSc2ncn[nH]2)nc2sc3c(c12)CCCC3 9737428 BVKPDGYXRQLSGE-UHFFFAOYSA-N 318.431 2.563 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1OC 8734630 RJHPEVISHQYCCA-UHFFFAOYSA-N 308.337 2.760 0 40 DFAB Cc1cnc(CN(C)[C@H]2CCN(CCc3cccs3)C2)o1 84258899 DEXUTLACHPSDBN-AWEZNQCLSA-N 305.447 2.793 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1cn[nH]c1 97113239 NZAYNOCHVGNDGT-CQSZACIVSA-N 312.377 2.836 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cn1 72330270 UOZDTCAPICWQCV-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB CN1C(=O)C[C@H](C(=O)NCc2ccsc2)c2ccccc21 95949278 NTJFQEZJDUOPSX-ZDUSSCGKSA-N 300.383 2.515 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)c1ccnnc1 95995435 JGACFQJQFVYYMA-UHFFFAOYSA-N 321.178 2.923 0 40 DFAB COCc1cccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 89633383 XBQYJMOUEZVUCQ-KRWDZBQOSA-N 324.380 2.885 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@H](c2ccn[nH]2)C1 89774357 FMTXLAIIXGEMMH-ZDUSSCGKSA-N 306.369 2.978 0 40 DFAB COc1coc(COc2ccc3c(C)cc(=O)oc3c2)cc1=O 409421781 MNTXHEOJUNMUOQ-UHFFFAOYSA-N 314.293 2.642 0 40 DFAB COc1cccc(CN[C@H]2CCc3nc(NC4CC4)ncc3C2)c1 306132187 LBEAUOJAUHUUKE-INIZCTEOSA-N 324.428 2.707 0 40 DFAB Cc1cc(C(=O)Nc2cc(F)ccc2F)c2cnn(C)c2n1 36616413 KIJAZBRNNNBUKQ-UHFFFAOYSA-N 302.284 2.807 0 40 DFAB Nc1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 218689921 OWPUCKMQGUYLBQ-UHFFFAOYSA-N 307.073 2.631 0 40 DFAB Cc1ccc2nc(SCCc3ccccc3)n(N)c(=O)c2c1 71327773 ZPZDYFSISGCCBV-UHFFFAOYSA-N 311.410 2.754 0 40 DFAB CCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 558071483 HVUZVRRUSFJZCC-UHFFFAOYSA-N 316.405 2.856 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)Nc1nnc(-c2ccco2)o1 38556674 KIGAIVAYNGEBFE-UHFFFAOYSA-N 314.257 2.702 0 40 DFAB CCOc1cccc(CNc2ncc(C3CCOCC3)s2)n1 560345266 OEETZLGDMWUFIS-UHFFFAOYSA-N 319.430 3.443 0 40 DFAB Cc1cc(=O)c(OCC(=O)Nc2cccc3ncccc23)co1 72404828 BVDUDEUUKBAOSP-UHFFFAOYSA-N 310.309 2.514 0 40 DFAB COc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1N 30714880 LHBKGURJIBEWLI-UHFFFAOYSA-N 307.313 2.666 0 40 DFAB COCCO[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 186675342 PXZUDGKRMRRMJZ-OCCSQVGLSA-N 324.446 2.572 0 40 DFAB O=C(NC1CCC(SCCO)CC1)OCc1ccccc1 79392212 QXGQTALMCUYELV-UHFFFAOYSA-N 309.431 2.950 0 40 DFAB CC(=O)NC1CCC(NC[C@@H](C)Oc2cccc(F)c2)CC1 133084438 KGVOHVXVGBOGRY-UWTIGNOOSA-N 308.397 2.630 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ncncc1Cl 83003603 HVKQWIHKTJDTMD-LLVKDONJSA-N 316.792 2.611 0 40 DFAB Cc1[nH]c(C[C@H]2C(=O)N=C3C=CC=C[C@H]32)c(C)c1CCC(=O)O 85210367 BGIWWYDBDXMCES-UONOGXRCSA-N 312.369 2.531 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cccc(CO)c2)C1 228911390 KNXYWIFQDNFFPU-HNNXBMFYSA-N 320.433 2.920 0 40 DFAB C[C@@]1(C(=O)N2CCC[C@@H](CCC(=O)O)C2)CC1(Cl)Cl 195552087 ZYCDIUQHIIYFLO-CABZTGNLSA-N 308.205 2.674 0 40 DFAB COc1ccccc1[C@H](C)CNC(=O)N[C@@H]1CC[C@@H](N(C)C)C1 195547980 JZKZZYNTORWXDU-RBSFLKMASA-N 319.449 2.581 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccc3c(n2)CCCC3)C1 577168495 ADMSQJIPGDMUKU-CYBMUJFWSA-N 316.401 2.677 0 40 DFAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cnccn1 96412194 HUGNKRSEKOSQBN-QMTHXVAHSA-N 305.765 2.636 0 40 DFAB C[C@H](CN(C(=O)c1csc2c1CCCC2)C1CC1)C(=O)O 97231888 BYEHJMUBUHCAGA-SNVBAGLBSA-N 307.415 2.952 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)N[C@H]3C[C@H](C)OC3=O)cc2F)c1 96437250 JHKIAAPKNKOIOS-HUBLWGQQSA-N 317.364 2.674 0 40 DFAB CC[C@@](Br)([C@H](O)c1ccccc1)S(=O)(=O)CC 96521601 NXTXLHDRRCMCRW-NEPJUHHUSA-N 321.236 2.656 0 40 DFAB COCC1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC1 96444713 IGGAQCARQMHCIX-CYBMUJFWSA-N 321.392 2.920 0 40 DFAB CC(C)c1nn(C)cc1NC(=O)c1nn[nH]c1-c1ccccc1 252483047 DTGDIQAJOXIUNC-UHFFFAOYSA-N 310.361 2.581 0 40 DFAB CC(=O)N1CCN(Cc2cscn2)C[C@H]1c1ccccc1 257303367 SGXDKSCOZJDPKK-INIZCTEOSA-N 301.415 2.549 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 257215013 COICOBVHYZANGU-OAHLLOKOSA-N 316.449 2.810 0 40 DFAB Cc1c[nH]c(-c2cncc([C@H]3CCCN3C(=O)C(C)(C)C)n2)n1 257317610 VKMKUIKNDPBBTM-CQSZACIVSA-N 313.405 2.885 0 40 DFAB COc1ccc([C@H](O)[C@@H]2N=C(N)S[C@@H]2c2ccccc2)cc1 253560519 AXNGOUSWORRIRG-HRCADAONSA-N 314.410 2.900 0 40 DFAB C[C@@H](NC(=O)c1cn2cc(Cl)ccc2n1)c1cccnc1 257290542 QDJUTOCALNMYBU-SNVBAGLBSA-N 300.749 2.874 0 40 DFAB COc1ccc(S[C@H](C)C(=O)N2CC[C@@H](CN(C)C)C2)cc1 69813438 VDPFHULOLXHACV-KGLIPLIRSA-N 322.474 2.586 0 40 DFAB Cc1cnc(OC[C@@H]2CCCN(Cc3csc(C)n3)C2)nc1 1776000741 HXCYSCCNNIMNKO-CQSZACIVSA-N 318.446 2.841 0 40 DFAB Cc1ncccc1CNC[C@H]1CCN(C(=O)OC(C)(C)C)C1 96010202 IJNMHIYDAFKPHW-CQSZACIVSA-N 305.422 2.737 0 40 DFAB COc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1 5514798 OCZBPCBGMQUNCJ-UHFFFAOYSA-N 317.341 2.730 0 40 DFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NCc1ccccc1 5562494 GGGLJXMPHPRWIQ-YALNPMBYSA-N 313.397 2.996 0 40 DFAB O=C(CN1C(=O)CCC1=O)Nc1ccccc1Oc1ccccc1 5870922 UCXXLMUYBXHPHE-UHFFFAOYSA-N 324.336 2.566 0 40 DFAB COc1ccccc1CN(C[C@@H]1CCOC1)C[C@@H]1CCCO1 12187563 DGLCVUKHMSYRQZ-RDJZCZTQSA-N 305.418 2.713 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)c1ccccc1 13073665 ZEQXSWSWLCMKNV-SNVBAGLBSA-N 323.345 2.563 0 40 DFAB COc1ccccc1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 14983164 AMOKRMWLMZIUII-HOCLYGCPSA-N 302.418 2.690 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl 15424642 KKNRTLHADHUMRY-UHFFFAOYSA-N 307.136 2.986 0 40 DFAB CN(CC(F)(F)F)C(=O)CCc1nc(-c2cccs2)no1 19585944 WJNCJFXVRBATMW-UHFFFAOYSA-N 319.308 2.751 0 40 DFAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 169303663 ASIICBLSIDAYNC-SYWGBEHUSA-N 323.348 2.673 0 40 DFAB CC(C)c1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1 17247012 XSNOOYTZFDPXTQ-OWCLPIDISA-N 307.434 2.659 0 40 DFAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1Cl 575605173 AJWYAAYKWVWPBJ-AWEZNQCLSA-N 322.836 2.571 0 40 DFAB Cc1noc(C)c1COc1ncnc2c1cnn2-c1ccccc1 6841204 SIILLIIDTXZKMK-UHFFFAOYSA-N 321.340 2.999 0 40 DFAB Fc1cccc(CN2CC(Cn3cc(Br)cn3)C2)c1 1889130403 WIMHTWTWIZMLPC-UHFFFAOYSA-N 324.197 2.917 0 40 DFAB Nc1cc(N)nc(SCc2coc(-c3cccs3)n2)n1 8707082 WRRBAMWWPPVRMO-UHFFFAOYSA-N 305.388 2.650 0 40 DFAB c1ccc(CSc2nnc3ccc(-c4ccncc4)nn23)nc1 4273138 NKNVFNKZAOFFFL-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21 8840860 HPUDRSOSOZTSES-UHFFFAOYSA-N 324.446 2.772 0 40 DFAB O=C1Cc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2N1 11027632 BEJGRDMGZAGBHQ-UHFFFAOYSA-N 320.304 2.540 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@H](c1cccs1)n1cccn1 575609432 BQOCDJKUMYSSPJ-PSKZRQQASA-N 313.382 2.957 0 40 DFAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C 44103 WJOHXLFWICWPDW-HNNXBMFYSA-N 318.373 2.522 0 40 DFAB CCCN1C(=O)[C@]2(CC(O)=Nc3[nH]ncc32)c2cc(F)ccc21 31811478 IKMUXPDOUSVVQD-MRXNPFEDSA-N 314.320 2.583 0 40 DFAB Cc1csc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 21483349 KQXSLDIIMIXFFI-UHFFFAOYSA-N 316.361 2.911 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@H]1c1ccc(F)cc1 22018779 MIIDNLSEHAPUCM-STQMWFEESA-N 311.316 2.738 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc(C(C)=O)c1 534798 KYRUTRDHROVVGV-AWEZNQCLSA-N 306.362 2.598 0 40 DFAB c1cn(-c2ccc(CNc3ncnc4sccc34)cn2)cn1 22227681 SAJWFIAKAHSRIA-UHFFFAOYSA-N 308.370 2.884 0 40 DFAB CC1=C(C(=O)OCCC(C)C)[C@H](c2ccccc2)NC(=O)N1 357103 HHZBQXODVWIJII-HNNXBMFYSA-N 302.374 2.904 0 40 DFAB O=C(Cn1ccc2ccc(F)cc21)NC[C@@H](O)c1ccccc1 12321917 QRKHOHGGQJFDQI-QGZVFWFLSA-N 312.344 2.630 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCc2ccco2)c1C 8987404 RDECMTLPCWRAEW-JTQLQIEISA-N 318.373 2.762 0 40 DFAB Cc1ccc(N2C[C@H](c3nc(-c4cccnc4)no3)CC2=O)cc1 12416159 MODGKSNSDDFBQI-CQSZACIVSA-N 320.352 2.961 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)n1C1CC1 8943803 APHJYNHODYOTDB-UHFFFAOYSA-N 324.428 2.797 0 40 DFAB Cc1cc(C)nc(NC(=O)NCCCn2nc(C)cc2C)c1 97143053 RICSFUDJMYBGTG-UHFFFAOYSA-N 301.394 2.724 0 40 DFAB COc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1 8603504 BYWXRMGNEUBRHO-UHFFFAOYSA-N 302.355 2.652 0 40 DFAB Cc1cc2nc([C@@H]3CCN(Cc4ccccc4)C3)cc(O)n2n1 100145473 ARPGUVAGINPPOT-OAHLLOKOSA-N 308.385 2.733 0 40 DFAB CO[C@H]1CCCC[C@@H]1OC(=O)c1cnc(-c2cnn(C)c2)s1 95395502 HIDZWQCUGSRASA-RYUDHWBXSA-N 321.402 2.658 0 40 DFAB O=C(Nc1ccc(I)cc1)c1ccon1 44411683 UNDAJKFCBWMEAD-UHFFFAOYSA-N 314.082 2.532 0 40 DFAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1O 10029972 JAUUUUBRNGSBEH-UHFFFAOYSA-N 310.353 2.671 0 40 DFAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccccn1 48171641 CSVCZVMKUPEFIC-CYBMUJFWSA-N 311.389 2.960 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3s2)on1 44896558 WXGFEIMQMZPZBI-UHFFFAOYSA-N 316.386 2.663 0 40 DFAB Cc1ccc([C@@](O)(CCNC(=O)N2CCCC2)C(F)(F)F)o1 44909175 NTAZWRXANRTCIE-ZDUSSCGKSA-N 320.311 2.533 0 40 DFAB CC(C)N(Cc1ccccn1)C[C@H](O)COc1ccc(F)cc1 58341025 RJRJAUZGEQCAHF-KRWDZBQOSA-N 318.392 2.871 0 40 DFAB CC(=O)c1ccc(N2CCN(Cc3cnc(C)s3)CC2)cc1 58345071 XFNLNERTSOILGZ-UHFFFAOYSA-N 315.442 2.976 0 40 DFAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1 58405591 KFRHFLJKNFWORK-OAHLLOKOSA-N 310.463 2.573 0 40 DFAB CCOc1c(Cl)cc(CNC(=O)NCC2CC2)cc1OC 58440524 FRVHJOFNLMNBNG-UHFFFAOYSA-N 312.797 2.957 0 40 DFAB C[C@H](NC(=O)C[C@@H]1CSCCS1)c1nc2ccccc2[nH]1 95434802 UEBKTXXPJLBCOD-WDEREUQCSA-N 321.471 2.979 0 40 DFAB COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1O 95963712 YNHBHHZUFIFFNQ-GXTWGEPZSA-N 301.317 2.826 0 40 DFAB O=C(COC[C@H]1CCOC1)Nc1ccc(F)cc1-n1cccc1 95940056 AKURAHDUBKGNGG-ZDUSSCGKSA-N 318.348 2.608 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc2nnsc2c1 11692757 VZNSEYPRUYSYHS-UHFFFAOYSA-N 313.338 2.730 0 40 DFAB COc1cc(/C=C/C(=O)NCc2nc(C)cs2)cc(OC)c1 29886528 FCIIAGVMSWRLAU-SNAWJCMRSA-N 318.398 2.798 0 40 DFAB COCc1ccc(CNC(=O)CN2CCc3ccccc32)cc1 48320838 SUQABVDYKJKLON-UHFFFAOYSA-N 310.397 2.512 0 40 DFAB O=C(CCn1cc(C(F)(F)F)ccc1=O)NC1CCCCC1 12879925 YOKAYFOYZORLTD-UHFFFAOYSA-N 316.323 2.706 0 40 DFAB COc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 12860647 HLFDDARHNXMNFR-UHFFFAOYSA-N 312.369 2.781 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(C)=CC[C@@H]2C(=O)O)cc1 3893700 LFYCTHKJSJNWEN-GJZGRUSLSA-N 301.342 2.885 0 40 DFAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N(C)C)cc1 13475792 WHADANZLHJIAFN-GHRIWEEISA-N 324.380 2.554 0 40 DFAB biogenic CN(Cc1ccc2c(c1)OCCO2)Cc1nnsc1Cl 49967704 XRRSXPYVDNABKU-UHFFFAOYSA-N 311.794 2.595 0 40 DFAB CSC[C@@H](C)N(C)C(=O)c1ccc(-c2cnccn2)cc1 95433767 OEFOYEGRNAFYPD-GFCCVEGCSA-N 301.415 2.967 0 40 DFAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CC[C@H]1c1ccccc1 65552555 MCUIMPWHAQQLKL-SJORKVTESA-N 322.412 2.667 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2cnc(C)cn2)cc1C 14137680 PKHFVGKDVVNGGC-UHFFFAOYSA-N 305.359 2.584 0 40 DFAB CC[C@@H](C(=O)NCCc1nnc2ccccn12)c1ccccc1 5451304 NPPRMUSMOKIWQZ-OAHLLOKOSA-N 308.385 2.582 0 40 DFAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccccc1 5450624 GAEXGVYSCYRWFO-UHFFFAOYSA-N 300.343 2.796 0 40 DFAB CCN(CC)C(=O)CSCC(=O)Nc1cccc(C)c1C 6588918 OSLUHCOZJICSGN-UHFFFAOYSA-N 308.447 2.844 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCSc2ccccc21 6553598 NSMYXPJFMQNMEW-UHFFFAOYSA-N 310.400 2.592 0 40 DFAB Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)cc2oc1=O 6662834 CMGCCNJBSFJNHW-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)n2ncnc2N1 6851059 CYPKBXOFVYTZRR-CYBMUJFWSA-N 318.764 2.784 0 40 DFAB O=C(Cc1cccs1)Nc1ccccc1N1CCOCC1 6830922 YVIUQDAILDGBGS-UHFFFAOYSA-N 302.399 2.766 0 40 DFAB Cc1nc(C(=O)NCCc2ccccc2)nn1-c1ccc(F)cc1 15190344 ACPACDXCUNQSCL-UHFFFAOYSA-N 324.359 2.687 0 40 DFAB CCc1ncc(CN(C)S(=O)(=O)c2cccs2)s1 67405646 NQBXVBFMGXBQTL-UHFFFAOYSA-N 302.446 2.588 0 40 DFAB COC[C@@](C)(NS(=O)(=O)c1cccs1)c1ccccc1 80281545 AIXVJFARNVLPAB-CQSZACIVSA-N 311.428 2.588 0 40 DFAB CN(CCc1nccs1)Cc1nnc(-c2ccccc2)n1C 95435437 ZQIBGXORRSJUGB-UHFFFAOYSA-N 313.430 2.613 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)no1 67888489 IROCQAXLWNLSBV-LLVKDONJSA-N 303.337 2.791 0 40 DFAB COC(=O)C1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 7735844 WYPAMGGGHFPLPF-UHFFFAOYSA-N 324.384 2.580 0 40 DFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccccc2)c1 9513799 SINFITIDFTYQDV-UHFFFAOYSA-N 311.341 2.856 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)[C@H]1CCCO1 69201047 XVMFOFVUVFZQHJ-CZUORRHYSA-N 314.389 2.620 0 40 DFAB CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69415115 QTHYCIKSDPJMRO-KRWDZBQOSA-N 316.445 2.773 0 40 DFAB COc1ccc([C@@H](CO)NC(=O)Nc2cccc(F)c2)cc1 69529685 LOGBPELBJIJRBU-OAHLLOKOSA-N 304.321 2.689 0 40 DFAB CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 69519649 AOSFVJHJEQKIME-HNNXBMFYSA-N 303.406 2.772 0 40 DFAB CCO[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1 69707606 BXROTFOUNUAWKO-DLBZAZTESA-N 313.401 2.824 0 40 DFAB O=[S@](CCN1CCCC[C@@H]1Cn1cccn1)c1ccccc1 69921976 HWWIXHZQPOPRCW-ZHRRBRCNSA-N 317.458 2.545 0 40 DFAB O=C(COc1nnc(-c2ccccc2)o1)NC1CCCCCC1 73507915 RKXSBJXWGNWLFQ-UHFFFAOYSA-N 315.373 2.954 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@@H]2CCCO2)C1 95965488 XFXJNUGPRONTJF-KKUMJFAQSA-N 312.454 2.791 0 40 DFAB COC[C@H](C)NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 95987526 WXBNKCDSYDWBTF-LBPRGKRZSA-N 302.378 2.646 0 40 DFAB Cc1ccc([C@H](CNCc2ccncc2)N2CCOCC2)s1 72254131 AXZQUWQSXYNNHD-INIZCTEOSA-N 317.458 2.615 0 40 DFAB O=C(CCCOc1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 72282796 KIRPVEMNUMMFLN-HNNXBMFYSA-N 313.401 2.975 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1ccco1 75130079 HUYUWQFXNMBWPQ-OAHLLOKOSA-N 301.390 2.926 0 40 DFAB CNC(=O)[C@H](CC(C)C)NC(=O)C/C=C/c1ccc(C)cc1 89627006 UJEAIFWGXYWFLF-JFDDCEBESA-N 302.418 2.675 0 40 DFAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCCCC3)cc1 35572304 BJDJTDDWFIQFLD-CQSZACIVSA-N 303.358 2.581 0 40 DFAB CCC(=O)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1 2278668 RRNAERNCIPMZIK-UHFFFAOYSA-N 306.314 2.860 0 40 DFAB biogenic Cc1cc2c(c(=O)n1C)[C@H](c1ccc3ncccc3c1)CC(=O)O2 524729677 DKZAXSRDCPYLRT-AWEZNQCLSA-N 320.348 2.683 0 40 DFAB biogenic CSc1ccsc1C(=O)N1CCN(c2ccncc2)CC1 69564031 LSKAEFSDJAUSEV-UHFFFAOYSA-N 319.455 2.827 0 40 DFAB O=C1[C@H](SCc2nc(C3CC3)no2)CCN1c1ccccc1 78772892 HNRMATQRTRNGCS-CYBMUJFWSA-N 315.398 2.986 0 40 DFAB O=C(c1cscn1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367663 UFBQGYXUGCNCOM-LLVKDONJSA-N 312.398 2.724 0 40 DFAB CO[C@@H](CNc1ncnc2c1ncn2C)c1ccccc1Cl 675638792 ORWMNOJIICBYSS-LBPRGKRZSA-N 317.780 2.816 0 40 DFAB Cc1cc(C)nc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 72203108 MZEFZGDUIWYWJW-CYBMUJFWSA-N 306.410 2.905 0 40 DFAB C[C@H](C(=O)O)c1nn(CCc2ccccc2)c(=O)c2ccccc12 72209283 HWDULKPBVNKEOU-ZDUSSCGKSA-N 322.364 2.827 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F 72354606 NDWBFTFXTSIGQY-OAHLLOKOSA-N 314.364 2.938 0 40 DFAB COc1ccc(NC(=O)CCCc2nnc3ccccn23)cc1 72401712 YQZPHKWIFXOPQI-UHFFFAOYSA-N 310.357 2.699 0 40 DFAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn(CC)c1=O 225965011 UMEMCFHTFVMIBK-UHFFFAOYSA-N 306.749 2.760 0 40 DFAB COC(=O)[C@@H](C)Sc1nnc(COc2ccc(C)cc2)o1 48309222 RNQSOHBOWAFJMT-SNVBAGLBSA-N 308.359 2.611 0 40 DFAB c1csc([C@H](CN[C@@H]2CCCSC2)N2CCOCC2)c1 195558434 OMDXQGGUSCBCKJ-KGLIPLIRSA-N 312.504 2.607 0 40 DFAB Cc1cccnc1NC(=S)NCCCN1CCCCCC1 225401558 LQMOOKRRPSHPRH-UHFFFAOYSA-N 306.479 2.943 0 40 DFAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910610 LRXNOXPXPCWKRY-CQSZACIVSA-N 322.424 2.971 0 40 DFAB O=C(NCc1ccccc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344681 XXEKOCGISQRQDW-CVEARBPZSA-N 309.365 2.878 0 40 DFAB CC[C@@]1(C)CN(C(=O)Nc2cc(C3CCC3)nn2C)CCO1 190102711 PTBRRTMKWSYSPJ-INIZCTEOSA-N 306.410 2.720 0 40 DFAB Cc1c(F)cccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 96435703 FKDGSNNIFHGRKN-UHFFFAOYSA-N 311.382 2.886 0 40 DFAB Cc1ccc(CNC(=O)c2ccco2)c(OC[C@H]2CCOC2)c1 96461611 CQKQHXRAWPBZLF-AWEZNQCLSA-N 315.369 2.933 0 40 DFAB CC(C)c1nnc2n1C[C@@H](Nc1ncnc3sccc13)CC2 97199319 LTZATUSOEFLUDP-JTQLQIEISA-N 314.418 2.833 0 40 DFAB CC(C)(C)c1ccc(C(=O)OC[C@H]2CCCN2C(N)=O)cc1 96442212 HFJRVPKKWBPJQV-CQSZACIVSA-N 304.390 2.684 0 40 DFAB Cc1cccc2c(N3CCC[C@H](C(=O)NCC4CC4)C3)ncnc12 96476254 FIJZIXPAWSFNMF-HNNXBMFYSA-N 324.428 2.681 0 40 DFAB CCc1cc(N[C@H](C)[C@H](CO)SC)nc(-c2ccncc2)n1 96417327 NOUNULQQCVKHKM-RISCZKNCSA-N 318.446 2.625 0 40 DFAB Cc1cc(-c2nnc3sc(-c4sccc4C)nn23)n(C)n1 95473717 GBMABLNDXYIWFA-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB COc1ccc2sc(C(=O)NCc3ccnn3C)c(C)c2c1 96426204 IYYASXHLUDGOSM-UHFFFAOYSA-N 315.398 2.882 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)s1 257266231 MCBNREAEIDYSMW-ZDUSSCGKSA-N 318.446 2.740 0 40 DFAB Cc1nc(N)cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257218871 DERAMZMTNYTBDH-ZNFPLGDCSA-N 308.385 2.744 0 40 DFAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1cccc(F)c1 261925737 JATJSUVZPSRZAY-INIZCTEOSA-N 314.360 2.621 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@H](C)c1nccn1CC 451924048 BCHBGSBTGAELFY-GFCCVEGCSA-N 307.419 2.505 0 40 DFAB CO[C@@H]1CCOC2(C1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 575402914 DQDAJQCAJDQFNO-QFQXCOSMSA-N 319.445 2.609 0 40 DFAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2CC1(O)CCCCCC1 585285554 ZRGNLFVSXQNWKT-HOTGVXAUSA-N 308.466 2.547 0 40 DFAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cccnc2C)C1 585273697 DFADBFHKZNAHLE-IBGZPJMESA-N 312.413 2.714 0 40 DFAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(N)=O)C2)cc1 68137967 APGXDFBTKHEBOG-CQSZACIVSA-N 323.396 2.686 0 40 DFAB CCc1nc(CCNC(=O)NCc2nc(C)cs2)cs1 69325561 VWFDPFLHOYPBNB-UHFFFAOYSA-N 310.448 2.512 0 40 DFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cc(F)ccc1F 31533756 IVEXTWQPAUULHD-UHFFFAOYSA-N 305.206 2.819 0 40 DFAB O=C(Nc1nncs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 56527872 CJEUAAAFAQYECD-NWDGAFQWSA-N 322.365 2.719 0 40 DFAB COC(=O)c1cc(NCc2ccnn2C)ccc1Br 97051314 GHQRPWXBKYEMEV-UHFFFAOYSA-N 324.178 2.581 0 40 DFAB CCCc1nc(C)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 81701246 HIVKYNJIZOCQDU-DZGCQCFKSA-N 316.426 2.792 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CNC1CCCCC1)OCCO3 13999197 CNAKJQFLYSTDIQ-UHFFFAOYSA-N 314.385 2.722 0 40 DFAB CC(C)(CN1CCCCC1)NC(=O)CCOc1cccc(F)c1 19084916 KQWIOTHTPHSMSO-UHFFFAOYSA-N 322.424 2.975 0 40 DFAB C[C@H](NC(=O)CCc1nc2ccccc2n1C)c1ccccn1 19656593 VYQIADIQVUJVDD-ZDUSSCGKSA-N 308.385 2.778 0 40 DFAB CCOc1ccccc1NC(=O)/C(Cl)=C(\Cl)C(=O)O 1614043 FWYKXJCNEPARGF-MDZDMXLPSA-N 304.129 2.798 0 40 DFAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCC1CCNCC1 155638708 XPXICPJNLOYQRP-CQSZACIVSA-N 302.418 2.889 0 40 DFAB CN(Cc1ncccc1Cl)[C@@H](CC(N)=O)c1ccccc1 528484062 HYCUBYDYLLCSHL-HNNXBMFYSA-N 303.793 2.784 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 8924416 KOOIALZGYDXYMP-AWEZNQCLSA-N 300.402 2.736 0 40 DFAB Cc1noc(CN2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1888834072 ZGDWFPYHQZESMW-RYUDHWBXSA-N 307.785 2.596 0 40 DFAB Fc1ccc2nc(N3CCN(c4cnsn4)CC3)sc2c1 1889175163 DKDBPGSVHPVYJK-UHFFFAOYSA-N 321.406 2.614 0 40 DFAB Cc1ncsc1C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 244933089 CARUKFZSFIZWPK-JOCQHMNTSA-N 317.414 2.967 0 40 DFAB COc1ccc(CCC(=O)NCCc2cn3ccccc3n2)cc1 2960876 ARDPYWKEGGPWJL-UHFFFAOYSA-N 323.396 2.634 0 40 DFAB COc1cccc2cc(C(=O)Nc3c4c(nn3C)CCC4)oc12 23135757 OXJYMNFDWBWZTM-UHFFFAOYSA-N 311.341 2.916 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(C)cc12 1366071 KRLIDFQSBADIEU-SECBINFHSA-N 316.386 2.858 0 40 DFAB O=C1c2ccccc2C(=O)N1CCN1CCCc2ccccc21 7115034 LPSRJMNAJWHFBA-UHFFFAOYSA-N 306.365 2.735 0 40 DFAB O=C(NCCc1ccc(Cl)s1)[C@H]1COc2ccccc2O1 40122191 HGVJYWBTEHJIAH-CYBMUJFWSA-N 323.801 2.900 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C 40149744 GEDLDOUFHYDQFB-RYUDHWBXSA-N 323.393 2.879 0 40 DFAB O=C(Nc1ncccn1)c1cc(Cl)c2c(c1)OCCCO2 21211405 OAQFJJVYWIVWIR-UHFFFAOYSA-N 305.721 2.544 0 40 DFAB Cc1occc1C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 32817191 MFBCTSQWBLNIFM-UHFFFAOYSA-N 300.358 2.907 0 40 DFAB CCC(=O)Nc1ccc([C@H](C)NC(=O)C[C@H]2CCCO2)cc1 47107842 ONVLPEYFPIROPC-SWLSCSKDSA-N 304.390 2.781 0 40 DFAB CCN(CCNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1C 47187996 DAFJDAOKGLFCDK-UHFFFAOYSA-N 323.400 2.523 0 40 DFAB Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 240237 QLEGWPDWXNOEIY-LSDHHAIUSA-N 323.396 2.808 0 40 DFAB Cc1nn(C)c(C)c1-c1noc2nc(C3CC3)cc(C(=O)O)c12 12398979 BJJJRNGRLKYQMW-UHFFFAOYSA-N 312.329 2.816 0 40 DFAB CC[C@@H]1CN(C(=O)N[C@H](C)c2c(C)nn(C)c2C)CCS1 78940685 KSOICRQWPIHJMZ-ZWNOBZJWSA-N 310.467 2.635 0 40 DFAB Cn1ccc2c(C(=O)NCc3nc4ccccc4n3C)cccc21 79502172 ZQXMAJCZNFWGHB-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB CCCCCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 12568676 HOSWVVCUKIPTEY-UHFFFAOYSA-N 318.417 2.593 0 40 DFAB Cc1nc(C)c(CNC(=O)/C=C/c2ccc(C(=O)O)cc2)s1 97017784 ARERMLUTGQVPSH-VMPITWQZSA-N 316.382 2.788 0 40 DFAB Cc1ccc2[nH]nc(C(=O)NCC(C)(C)N3CCCCC3)c2c1 97464169 KKAJDOJXIUVZHX-UHFFFAOYSA-N 314.433 2.866 0 40 DFAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ccccc1 8030012 JNOGNSWNSWLZFS-SNVBAGLBSA-N 323.345 2.563 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 106167703 BCUGHNCTKCXBGY-AVGNSLFASA-N 313.401 2.642 0 40 DFAB CCNC(=O)N1CC[C@@H](N[C@@H](C)Cc2ccccc2SC)C1 97084631 HDPVMBSBGOIKJT-DZGCQCFKSA-N 321.490 2.733 0 40 DFAB CCOC[C@H]1CCC[C@]12CN(C(=O)Cc1ccsc1)CCO2 107194454 OIDSXIHLNGUIDB-WBVHZDCISA-N 323.458 2.725 0 40 DFAB CC(C)c1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)no1 97095162 QAIXTKQCDNINDO-UHFFFAOYSA-N 315.377 2.532 0 40 DFAB CCOc1cccc(C(=O)N(Cc2cnn(C)c2)C(C)C)c1 56026734 BBXXHTQSUOQQII-UHFFFAOYSA-N 301.390 2.870 0 40 DFAB CCCn1cc(NC(=O)CCOc2ccccc2)ccc1=O 56079606 BLOXRRIWGYVXND-UHFFFAOYSA-N 300.358 2.666 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 35218833 YMCSECLPXMPGFD-JTQLQIEISA-N 313.756 2.894 0 40 DFAB COc1ccc(NC(=O)N(C)Cc2ccco2)cc1NC(C)=O 44033168 ZMUIFOIGBIWUNG-UHFFFAOYSA-N 317.345 2.911 0 40 DFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COC1CCCCC1 44411641 YGUZLTPPPMQVBZ-BPUTZDHNSA-N 323.433 2.668 0 40 DFAB CCCCc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc1 35655446 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304.415 2.881 0 40 DFAB CC(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 69565053 PUGCUDSKWQSQLF-GFCCVEGCSA-N 321.446 2.854 0 40 DFAB CCc1ccsc1C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69519030 KQGSGOSTWQSWMA-UHFFFAOYSA-N 315.354 2.906 0 40 DFAB c1ccc(Cc2nnc(CN3CCC[C@@H]3Cn3cccn3)o2)cc1 71875740 DPUANKYLBQISEM-MRXNPFEDSA-N 323.400 2.522 0 40 DFAB COC(=O)c1coc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c1 97135250 CKHOWMGLOYHQHD-UHFFFAOYSA-N 303.318 2.699 0 40 DFAB CC(C)[C@H](CNC(=O)c1cccs1)NC(=O)c1cccs1 69897862 GCXXLUSNZKAWQH-NSHDSACASA-N 322.455 2.994 0 40 DFAB COCCCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 71909341 DNSASKNPHDIFDH-OAHLLOKOSA-N 308.397 2.727 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cn2ccc(C)cc2n1 8746416 LXZRMVLHEAABMK-UHFFFAOYSA-N 309.325 2.682 0 40 DFAB Cn1cc(CCCCNC(=O)[C@@H]2CSc3ccccc32)cn1 95398534 LXCJYCKCEYBEIP-OAHLLOKOSA-N 315.442 2.749 0 40 DFAB C[C@@H](CNC(=O)Cc1cccc(O)c1)COCc1ccccc1 84638338 ODWHWAPKFABEOP-HNNXBMFYSA-N 313.397 2.904 0 40 DFAB O[C@@H](CN1CC[C@H](Oc2ccncc2)C1)c1cccc(Cl)c1 95428230 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C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 57355224 LXIWBSUDFMVUAQ-ZDUSSCGKSA-N 323.868 2.765 0 40 DFAB CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2cnn(C)c2)C1 74474948 CXRIBJJGNDIJFJ-OCCSQVGLSA-N 310.467 2.798 0 40 DFAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1nc(C2CC2)no1 76046925 RFBIWKKPDCOYQT-GWCFXTLKSA-N 301.394 2.892 0 40 DFAB CCCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 3141092 YMPBEAPUBCZHQY-LGMDPLHJSA-N 323.396 2.769 0 40 DFAB CCCCNC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 5218137 PZRGRDXQFPWKCS-KBXCAEBGSA-N 323.440 2.954 0 40 DFAB COc1ccc([C@H]2Nc3ccccc3C3=NCCCN32)cc1O 12144187 RQUYFQSHSLRYRS-KRWDZBQOSA-N 309.369 2.977 0 40 DFAB COc1cnc(C(=O)Nc2nc3ccc(C)cc3s2)cc1O 16968487 SZXZIDIBYXSQNT-UHFFFAOYSA-N 315.354 2.966 0 40 DFAB CCOC(=O)c1cnc(SCc2ccccc2Cl)[nH]c1=O 17316298 REZUFOCXCJUPAP-UHFFFAOYSA-N 324.789 2.892 0 40 DFAB CCCc1cc(=O)[nH]c(SC[C@@H]2COc3ccccc3O2)n1 16045278 BKUIQXPINRCMCD-LBPRGKRZSA-N 318.398 2.655 0 40 DFAB Cc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCC2)o1 9573790 JNEDVXIDQQQSFG-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1cccs1 10256319 GKKSRXMUDHOKOJ-ZDUSSCGKSA-N 315.398 2.847 0 40 DFAB CCC(CC)C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 22765468 KNBLBPMPTZUCHD-INIZCTEOSA-N 323.506 2.589 0 40 DFAB C[C@@H]1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)C[C@@H](C)O1 20573575 LZXNLEXDEHQBQT-NXEZZACHSA-N 323.776 2.761 0 40 DFAB COc1cccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c12 346077 NRPWXHMIXQCEFC-UHFFFAOYSA-N 309.321 2.943 0 40 DFAB Cc1ccccc1N1CCN(C(=O)c2ccccc2C(=O)O)CC1 386701 DDSTZKQRVAICGX-UHFFFAOYSA-N 324.380 2.656 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@H]1Cc2ccccc2O1 33116700 RANKIACWFJFWFN-CYBMUJFWSA-N 300.358 2.840 0 40 DFAB COc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1 184147 PWGXCOAGYGCQJW-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB CCN(Cc1ccco1)C(=O)NC[C@H](C)Cn1nc(C)cc1C 47095948 DAJFNKNHPPGFGR-ZDUSSCGKSA-N 318.421 2.961 0 40 DFAB C[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(F)cc1 24992767 OQKNSMTZTRNPAK-LBPRGKRZSA-N 315.348 2.825 0 40 DFAB O=C(OC1CCCCCCC1)c1cnc2ccccn2c1=O 78516393 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CCOc1ccc(S(=O)(=O)Oc2ccc(OC)cc2)cc1 3098851 HYDYVVYIOIKDTG-UHFFFAOYSA-N 308.355 2.862 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 54661516 JXTZCYQZAUXIDC-SNVBAGLBSA-N 307.300 2.676 0 40 DFAB CC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1 57797297 PCKMEQRLZSUUNY-UHFFFAOYSA-N 302.422 2.632 0 40 DFAB O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1nncs1 43128668 KTANQNPNIZMHMQ-UHFFFAOYSA-N 316.308 2.921 0 40 DFAB CC1(C)COc2cc(NC(=O)c3ccco3)ccc2NC1=O 8959188 FRTIUVIBASMESG-UHFFFAOYSA-N 300.314 2.889 0 40 DFAB O=C(CCCNc1ncccn1)N[C@H]1CCc2cc(F)ccc21 55657640 ZSGZROKFILETAS-HNNXBMFYSA-N 314.364 2.612 0 40 DFAB COc1c(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)nn1C 95395647 ILDQIJVOWIQPNU-LLVKDONJSA-N 313.401 2.717 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)O)ccc21 1507747 UDCSSOCPBGVYFW-UHFFFAOYSA-N 324.336 2.546 0 40 DFAB COc1cc2ccccc2cc1C(=O)OCC(=O)NCC(C)C 3251681 BILOJJKSDAQYSV-UHFFFAOYSA-N 315.369 2.777 0 40 DFAB CC[C@@H](Oc1cccc(C(C)=O)c1)C(=O)Nc1cc(C)on1 9316386 UYQCQFSBFCDESQ-CQSZACIVSA-N 302.330 2.982 0 40 DFAB CN1CCC[C@H]2CN(c3ccc(Br)cn3)CC[C@@H]21 89375376 LKLHMKATGCRTMZ-AAEUAGOBSA-N 310.239 2.765 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccn(C)c1 108387013 XQMPYSMIYUJVKS-KBPBESRZSA-N 307.438 2.855 0 40 DFAB CCc1nnc(NC(=O)CCC(=O)NC2CCCCCC2)s1 1877032 GJRYJDUZLLAJLY-UHFFFAOYSA-N 324.450 2.658 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 22124449 IJIPYRIQMSRWOL-VIFPVBQESA-N 301.264 2.621 0 40 DFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C2CC2)[nH]n1 44858254 GKZCQLAOMQRRDG-UHFFFAOYSA-N 321.384 2.745 0 40 DFAB COc1ccccc1CNC(=O)c1cc(Cl)c(O)c(OC)c1 10224559 JRQYIMQHEDMSSD-UHFFFAOYSA-N 321.760 2.993 0 40 DFAB CCc1nc(CCNS(=O)(=O)c2ccccc2)sc1C 58245272 YNIWRYWALATWSW-UHFFFAOYSA-N 310.444 2.535 0 40 DFAB Cc1cnn(CCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 58393195 SEZQUVJGGFIDNO-QGZVFWFLSA-N 315.392 2.954 0 40 DFAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(OC)c(F)c1 27999060 GZDBBJMNRIMLLG-UHFFFAOYSA-N 323.393 2.913 0 40 DFAB CC1(C)CC(NC(=O)[C@]23CC[C@@H](C2)C(C)(C)C3=O)CC(C)(C)N1 100925607 WSBDKDSEHNRTGS-HXPMCKFVSA-N 320.477 2.807 0 40 DFAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1C 28577382 SWTWZQBIZZOYQV-NSHDSACASA-N 307.419 2.559 0 40 DFAB CCOC(=O)c1cc(NC(=O)c2cccc3[nH]ccc23)cn1C 95406198 CFLMCTAILILJKK-UHFFFAOYSA-N 311.341 2.935 0 40 DFAB CCCc1nnc(SCC(=O)NCc2ccccc2)n1CC 20034039 QCBKUKZNTZIZRI-UHFFFAOYSA-N 318.446 2.659 0 40 DFAB CSc1nc2c(c(=O)[nH]1)[C@H](c1cc(C)ccc1C)CC(=O)N2 21784278 SKNPVTVAOMEXSL-NSHDSACASA-N 315.398 2.583 0 40 DFAB COc1ccccc1NC(=O)COC(=O)Cc1ccccc1C 5086848 SIDTXMKKLBZMPU-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB Cc1ccc(O)c(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)n1 93476991 IWKCUIIGZJLCCG-GOSISDBHSA-N 316.376 2.933 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2C)cc1 19736089 SDEQJMFJVJXYBZ-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccccc2n1 9322075 QBFVSEIQUKKBAP-UHFFFAOYSA-N 305.381 2.956 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@H]1OCCc2ccccc21 95445482 MCSXTZHNXPCOPY-PVUWLOKVSA-N 315.369 2.522 0 40 DFAB c1cc2c(cc1SCCN1C[C@@H]3CC[C@H](C1)O3)OCCCO2 95460195 QQTAUBBFOWBMBW-OKILXGFUSA-N 321.442 2.803 0 40 DFAB O=C(NC1CCSCC1)N1CCO[C@@H](c2cccc(F)c2)C1 67416950 KHOZNSXQLJVHPA-OAHLLOKOSA-N 324.421 2.804 0 40 DFAB Cc1cccn2c(=O)cc(CSc3nnc(C4CC4)o3)nc12 7289729 ORNVXSIFZYHIMD-UHFFFAOYSA-N 314.370 2.556 0 40 DFAB O=C(OCc1nc2ccccc2o1)c1ccc(-n2cncn2)cc1 7281871 WZTDGFKAFZXWKU-UHFFFAOYSA-N 320.308 2.766 0 40 DFAB CCC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 68749149 BSSCFVHQUBGEER-VIFPVBQESA-N 321.402 2.949 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)N1CCCC[C@@H]1CC(N)=O 69348799 UAOHZCLQSOJSFV-DZGCQCFKSA-N 320.458 2.565 0 40 DFAB C[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC(C)(C)O1 69484492 DRDFFBLJJBGDMG-CYBMUJFWSA-N 321.442 2.628 0 40 DFAB O=C(CCOc1cccc(F)c1)N1CCC[C@@H](n2cccn2)C1 69432636 CPQGCPAERRRKRE-OAHLLOKOSA-N 317.364 2.655 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)s2)no1 9691853 PPEXBWZFPPACEO-SSDOTTSWSA-N 314.750 2.882 0 40 DFAB CCc1nc2n(n1)C[C@H](NCc1nc3ccccc3s1)CC2 69742733 KSHPAYRUUKACCT-LLVKDONJSA-N 313.430 2.555 0 40 DFAB C[C@@H](OC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccn1 69808932 IAEKVKXURPUTRT-SNVBAGLBSA-N 314.370 2.857 0 40 DFAB Cc1c(NC(=O)NCc2cnn(C)c2)cccc1OC(F)F 69808694 FGYJZPHURRHBNC-UHFFFAOYSA-N 310.304 2.652 0 40 DFAB Cc1ccnc(-c2ccc(NC(=O)NC(C)(C)CCO)cc2)n1 95963807 MGLCNRBFHUFHAX-UHFFFAOYSA-N 314.389 2.735 0 40 DFAB O=C(O)c1ccc(CNC(=O)c2csc3c2CCCC3)o1 94554146 JAEMMWNJPSCZML-UHFFFAOYSA-N 305.355 2.848 0 40 DFAB C[C@H](NCc1noc(C2CC2)n1)c1ccc(-n2ccnc2)cc1 97083981 HFHIKDPKPXNLCH-LBPRGKRZSA-N 309.373 2.984 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@H]1Nc1ccn(CCc2ccncc2)n1 97037881 BWHCDUUZWNLVQU-BFYDXBDKSA-N 313.449 2.661 0 40 DFAB CN(C)C(=O)Nc1cccc(CNC(=O)Cc2cccs2)c1 72295422 AQQSLZURVDIQHL-UHFFFAOYSA-N 317.414 2.701 0 40 DFAB C[C@@H]1CN([C@@H](CNCc2cccn2C)c2cccs2)CCO1 72291870 QGDRBEQAGFTCGL-ZBFHGGJFSA-N 319.474 2.638 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc2cc[nH]c12 97144213 OTKCRJLCTMPULD-INIZCTEOSA-N 309.369 2.720 0 40 DFAB Cc1cccc(C2(C(=O)N[C@@H]3CCC(=O)N(C)C3)CCCC2)c1 75143127 BBAVGVVIXWFADP-MRXNPFEDSA-N 314.429 2.544 0 40 DFAB CC(C)(C)OC(=O)NCCNCc1cc(F)cc2cccnc12 89662656 VHFXQGXTZVDZET-UHFFFAOYSA-N 319.380 2.988 0 40 DFAB CCc1cccc(CC)c1NC(=O)CN(C)CCN1CCCC1 89899731 APSNNMLIRRWFKN-UHFFFAOYSA-N 317.477 2.778 0 40 DFAB C[C@@H](NC(=O)c1cc[nH]n1)c1nc(-c2ccc(Cl)cc2)no1 76068195 CEUZZVOYEWJOLD-MRVPVSSYSA-N 317.736 2.604 0 40 DFAB COCCn1ccc(NCc2cc3cccc(OC)c3o2)n1 76017835 HDOYFYHYLYCZPE-UHFFFAOYSA-N 301.346 2.896 0 40 DFAB Cc1ccc([C@H](CNC(=O)NC2CC2)N2CCCCC2)cc1 36075778 MZAHWHBFCRZUIZ-KRWDZBQOSA-N 301.434 2.984 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2C)o1 538471404 OWEIZKQEFWVOSR-UHFFFAOYSA-N 303.314 2.541 0 40 DFAB CC(C)c1cnc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)o1 79097344 FZDWMCYUQSRZJA-LBPRGKRZSA-N 309.410 2.897 0 40 DFAB COc1ccccc1[C@@H](O)CNC(=O)OCc1ccccc1 199812628 QDMXRUREFPWVBK-HNNXBMFYSA-N 301.342 2.655 0 40 DFAB CCS(=O)(=O)c1ccc(NC[C@@H](O)c2cccc(C)c2)cc1 225521222 XDWHUJMYWDKUML-QGZVFWFLSA-N 319.426 2.934 0 40 DFAB CO[C@@H](C)c1cccc(NCC(=O)Nc2c(C)nn(C)c2C)c1 86205436 KLJXRRDZMQTLTQ-ZDUSSCGKSA-N 316.405 2.795 0 40 DFAB CC(C)OCCCNC(=O)C(=O)Nc1ccccc1C(C)C 42646466 CWAZRUGMEDQDKM-UHFFFAOYSA-N 306.406 2.680 0 40 DFAB COCCN1[C@@H](C)CN(C[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C 191000483 MEGWTMPCMXFIQJ-KSZLIROESA-N 324.509 2.909 0 40 DFAB COc1ccc(OC2CCN(Cc3csnn3)CC2)cc1 534336247 PAGVLYMJJLRWIV-UHFFFAOYSA-N 305.403 2.590 0 40 DFAB COc1c(C(=O)O[C@H](C)c2ccccc2)cnc2c1cnn2C 96501828 CRMFEDLDJNIYHC-LLVKDONJSA-N 311.341 2.895 0 40 DFAB CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(Cl)c1)CC2 95957958 HWAUQJCHNPMWSQ-CYBMUJFWSA-N 318.808 2.800 0 40 DFAB Cc1cccc2c1nc1n2[C@@H](CNCc2cccnc2)COC1 96112646 GBYRMIMWVIFAJH-HNNXBMFYSA-N 308.385 2.601 0 40 DFAB biogenic,in-vitro CC[C@H](C)[C@@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 96753586 YJMHSDYDXLXYNH-BLLLJJGKSA-N 302.374 2.647 0 40 DFAB Cc1ccsc1C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97378946 QNQMIUDUKRNBAE-AWEZNQCLSA-N 315.442 2.971 0 40 DFAB O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)N1 96061413 UMEWNOUMRMJMRQ-QGZVFWFLSA-N 310.397 2.918 0 40 DFAB COc1ccc([C@H]2[C@H](COC(=O)c3ccon3)CCN2C)cc1 96420388 OPLHBQDOKFOVNN-BBRMVZONSA-N 316.357 2.533 0 40 DFAB Cc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)o1 96048915 ZUMOMVWJKKPMRX-UHFFFAOYSA-N 304.434 2.665 0 40 DFAB Cc1cncc(CN2CCC3(CC(Nc4ccncn4)C3)C2)c1 257306591 SUYUVARWEGBDII-UHFFFAOYSA-N 309.417 2.647 0 40 DFAB C[C@H]1CC(c2noc(-c3cccn4c(=O)[nH]nc34)n2)C[C@H](C)C1 274251008 YOCDDSGIQPIHHZ-NXEZZACHSA-N 313.361 2.612 0 40 DFAB CC(C)c1ncncc1C(=O)NC1CCN(c2ccccc2)CC1 299154040 ZSOOCGFMGWOSFA-UHFFFAOYSA-N 324.428 2.999 0 40 DFAB Cn1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1=O 32764376 OPODGWMBPZRNLS-UHFFFAOYSA-N 311.168 2.622 0 40 DFAB CCc1cnc(OC2CCN(c3ncc(Cl)cn3)CC2)nc1 1776001662 FLAQGGBNZFJWOZ-UHFFFAOYSA-N 319.796 2.530 0 40 DFAB COc1ccc2c(c1)N(Cc1cccc(C(N)=O)c1)C[C@H](C)O2 75858115 UVSQIAOQCQDQAZ-LBPRGKRZSA-N 312.369 2.582 0 40 DFAB C1CCN(C2(CNc3nc(C4CC4)ns3)CCOCC2)CC1 81001291 PITDGOJUWDANLL-UHFFFAOYSA-N 322.478 2.863 0 40 DFAB O=C(Cc1ccon1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434227 GXDHGDDYDTWXLD-HUUCEWRRSA-N 318.373 2.705 0 40 DFAB COC[C@@H]1CN(C(=O)N[C@@H](c2ccccc2C)C(C)C)CCO1 96440159 XJQCWBVFORZQQV-DOTOQJQBSA-N 320.433 2.749 0 40 DFAB C[C@@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccncc1 97370720 NRPMJJFRBXCMLG-DGCLKSJQSA-N 315.339 2.533 0 40 DFAB Cc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c(C)c1 5375947 VEMVMFLCGVWVDE-UHFFFAOYSA-N 323.352 2.759 0 40 DFAB CCOC(=O)c1cc(Br)nc(Br)c1 5858077 NXSFXTCLCJXWDD-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB CN(C)CCNC(=O)CSCc1c(Cl)cccc1Cl 13613728 VPMGKZQIJKUASW-UHFFFAOYSA-N 321.273 2.904 0 40 DFAB FC(F)(F)c1nnc2ccc(Nc3ccc4c(c3)OCO4)nn12 14202627 IKFVTJHWRHJZDS-UHFFFAOYSA-N 323.234 2.615 0 40 DFAB Nc1nonc1N[C@H]1CC(=O)C[C@@H](c2cccc(Cl)c2)C1 19974043 DANROOBXKHBTGW-GXSJLCMTSA-N 306.753 2.623 0 40 DFAB Clc1ccc2ncc(-c3cccc(N[C@@H]4CCNC4)n3)n2c1 29045837 NAMQQRIYZTTYCJ-GFCCVEGCSA-N 313.792 2.824 0 40 DFAB in-vitro CC(=O)C[C@]1(O)C(=O)N(CCc2ccccc2)c2c(C)cccc21 4987994 ZKCUGMOPDAWNIT-HXUWFJFHSA-N 323.392 2.751 0 40 DFAB CN(c1ccc(-c2csc(NC3CC3)n2)cc1)S(C)(=O)=O 7274798 YGXQICCKKOMXQY-UHFFFAOYSA-N 323.443 2.780 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 7716277 WOIMQSSSFVHXCW-UHFFFAOYSA-N 310.762 2.738 0 40 DFAB CC(C)/C=C/C(=O)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223929 HYBGNMFSNPBJCI-LFAOLKIESA-N 308.491 2.771 0 40 DFAB O=c1[nH]c(SCc2c(F)cccc2Cl)nc2[nH]ncc12 4249766 GQDZGLFVHWNRLF-UHFFFAOYSA-N 310.741 2.731 0 40 DFAB Cc1cccc(CC(=O)N[C@H]2CCN(Cc3ccsc3)C2)c1 585150069 UJJVLJQYYKBSNE-KRWDZBQOSA-N 314.454 2.990 0 40 DFAB CN1CCN(Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)CC1 40089759 PDWQSPNYHMJTOO-INIZCTEOSA-N 313.445 2.729 0 40 DFAB Cc1nc(C2(NC(=O)/C=C/c3cscn3)CCCCC2)no1 50297616 YDYLDTNPORSEJH-AATRIKPKSA-N 318.402 2.824 0 40 DFAB c1ccc(-c2cnnc(SCc3cn4cccnc4n3)n2)cc1 97824 WNGQDDDRDDDZLY-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB aggregator O=C(c1cccc(Cl)n1)N1CCN(c2ccccc2)CC1 51072630 PBLDNLGSLZHVBB-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB CN(C)c1ncccc1CNC(=O)c1cc2c(s1)CCC2 40534586 WJVAWFSAMIPYNJ-UHFFFAOYSA-N 301.415 2.628 0 40 DFAB COc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 362604 FJPQZIWJLJEXCE-UHFFFAOYSA-N 318.325 2.940 0 40 DFAB CCc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cs1 52835361 IASLFKLIEICZRC-OAHLLOKOSA-N 315.442 2.769 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 33144908 KABKDZPNWLIMAU-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)o1 53176244 SMPZCAIPRILZHO-TZMCWYRMSA-N 324.384 2.695 0 40 DFAB CC(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 53100 KMMUVJFSBZTTDY-UHFFFAOYSA-N 318.332 2.708 0 40 DFAB CC(C)c1cc(C(=O)N(C)CCOc2ccccc2F)n[nH]1 47344480 SIXFEFONPHXRIR-UHFFFAOYSA-N 305.353 2.823 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccco2)c1C 8988737 XRVQAFVKNIZGOJ-SNVBAGLBSA-N 304.346 2.892 0 40 DFAB C[C@H](NCC[C@@H]1CCCO1)[C@H](c1ccccc1)N1CCOCC1 79015279 IEZOAAPBRHDMNS-YTQUADARSA-N 318.461 2.607 0 40 DFAB CCN(CC)CC(CN(CC)CC)OC(=O)c1ccccc1 1668540 YPNRBFRYHMBMFY-UHFFFAOYSA-N 306.450 2.896 0 40 DFAB C[n+]1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 1750158 YQWZLNFAXYXFPU-UHFFFAOYSA-O 312.176 2.835 0 40 DFAB Brc1ccc(NCCCOC[C@@H]2CCCO2)nc1 84425383 DUFAXCVUMQDTSV-LBPRGKRZSA-N 315.211 2.842 0 40 DFAB O=C(OCCNC(=O)c1ccc2ccccc2n1)c1ccccc1 3122007 APGKAWZSECSXAG-UHFFFAOYSA-N 320.348 2.822 0 40 DFAB biogenic CC(C)NS(=O)(=O)c1cccc(CNc2ncccc2F)c1 84483689 IVJYCXHOCZASRW-UHFFFAOYSA-N 323.393 2.520 0 40 DFAB CCC(CC)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 23029449 WZVMYHTZTXHWBE-LBPRGKRZSA-N 308.447 2.905 0 40 DFAB CCC(=O)NCCNc1ncnc2sc3c(c12)CCCC3 4241398 VTCZMMDVKZTNSQ-UHFFFAOYSA-N 304.419 2.508 0 40 DFAB Nn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 6116822 VKLDNKBLEHARNJ-UHFFFAOYSA-N 310.382 2.634 0 40 DFAB COc1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104751154 PBRUFIHULMVMHI-RFGFWPKPSA-N 309.431 2.798 0 40 DFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 6763501 SELDKLYHTFIZCC-LBPRGKRZSA-N 321.398 2.743 0 40 DFAB NC(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 24337592 UWICZKNWERPVLW-UHFFFAOYSA-N 312.344 2.729 0 40 DFAB CN(C)C(=O)COc1ccc(NC(=O)Nc2ccccc2)cc1 24747522 QINCFIMTASERRV-UHFFFAOYSA-N 313.357 2.798 0 40 DFAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1NS(C)(=O)=O 43284346 KBPFEPJKDYAZNI-QWHCGFSZSA-N 322.430 2.592 0 40 DFAB Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)n(C)n1 56081052 ZSAHYNDWZYYFQS-GFCCVEGCSA-N 324.425 2.606 0 40 DFAB CC1(C)CC(NC(=O)NCCc2ccccc2F)CC(C)(C)N1 26180209 DKDCQGVFEXOXTA-UHFFFAOYSA-N 321.440 2.977 0 40 DFAB COC(=O)c1ccccc1NC(=O)COC(=O)C1CCCCC1 3285914 UHKLJKQDIIFNRA-UHFFFAOYSA-N 319.357 2.535 0 40 DFAB CCCCS[C@H](C)C(=O)N(C)Cc1ccc(C(N)=O)cc1 57452307 ZBBKTKPATSWRSO-GFCCVEGCSA-N 308.447 2.666 0 40 DFAB Cc1cc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)no1 107712872 IQCVQZJEXSSRCX-IRXDYDNUSA-N 308.422 2.779 0 40 DFAB CN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 59272797 LLOHCRQKNZOMDQ-QGZVFWFLSA-N 315.756 2.777 0 40 DFAB CCOC(=O)c1cnc(SC)nc1Nc1ccc(O)cc1 11907784 QLTNSQCIAYGAGY-UHFFFAOYSA-N 305.359 2.824 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 11979752 ASBXXDQSQQWZFF-UHFFFAOYSA-N 307.353 2.897 0 40 DFAB CN(C)c1ccc(Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 11905825 CTPQBYGZMIAOGN-UHFFFAOYSA-N 307.357 2.642 0 40 DFAB CCC[C@H](C)NC(=O)COC(=O)c1cc(Cl)ccc1OC 3446663 DUZRIOPWBHQJHH-JTQLQIEISA-N 313.781 2.810 0 40 DFAB Cc1ccccc1CNCc1ccc(CS(C)(=O)=O)cc1 48779587 UBTGSEMEGPQCGQ-UHFFFAOYSA-N 303.427 2.829 0 40 DFAB CCOc1ncccc1C(=O)Oc1ccc(-c2nnco2)cc1 6261599 JZPHDJFHQXVECD-UHFFFAOYSA-N 311.297 2.750 0 40 DFAB O=c1c2ccccc2n2cnnc2n1Cc1ccc(Cl)cc1 9264107 ROLDVEDLHAYBKN-UHFFFAOYSA-N 310.744 2.746 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)cc1 5450907 UVQHJKBPQCGGCP-MRXNPFEDSA-N 312.369 2.901 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2-n2cnnn2)c1 14573460 CHSMTFYCZSAOJS-AWEZNQCLSA-N 321.384 2.770 0 40 DFAB CN(Cc1ccc(F)c(F)c1)Cn1nc(C(C)(C)C)ccc1=O 66792393 ZFZUQAQOLYPJJZ-UHFFFAOYSA-N 321.371 2.909 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O 7022652 HDMNSBBIWJMSGB-GWCFXTLKSA-N 324.808 2.513 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 67333759 AXHGLIZNOZVXDW-RYUDHWBXSA-N 305.378 2.918 0 40 DFAB NC(=O)c1ccsc1NC(=O)COc1ccccc1Cl 7167885 GNXLZXJWVFSMEU-UHFFFAOYSA-N 310.762 2.518 0 40 DFAB Cc1nnc(CSc2nc3ccccc3c(=O)n2C(C)C)o1 7236773 WOXNSWRSSZLFOV-UHFFFAOYSA-N 316.386 2.961 0 40 DFAB CCOc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 7310831 IFDBDUIOMMYODS-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)no1 67888532 JUPXDYUXPTYHAV-LBPRGKRZSA-N 303.337 2.791 0 40 DFAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccco2)C1 7985241 ZMTKFABKNVVERV-LLVKDONJSA-N 318.760 2.920 0 40 DFAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCn2cncn2)o1 96433245 KHCATVCFJQRCAJ-DZGCQCFKSA-N 316.405 2.823 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C)o2)c1C 9544382 RUNDMJYSAFLXSD-UHFFFAOYSA-N 303.314 2.775 0 40 DFAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 8206708 PTSUAQLDIMBBSL-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB O=C(c1ccc2ccccc2c1)N1CCN(C(=O)C2CC2)CC1 8262644 SNJSNOWIRPQDFY-UHFFFAOYSA-N 308.381 2.534 0 40 DFAB COCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 16942721 XHVLKIXDIOQFSF-UHFFFAOYSA-N 303.753 2.527 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 69348910 ODFJJUXJPUXDKI-UONOGXRCSA-N 320.433 2.802 0 40 DFAB Cc1noc([C@H](C)N2CCN([C@H](C)c3cccc(F)c3)CC2)n1 69376315 FHJDPOGJIBPMOZ-OLZOCXBDSA-N 318.396 2.957 0 40 DFAB CC(C)=CCN1CCC(NC(=O)c2ccc3[nH]cnc3c2)CC1 71886037 MHMYAQWOAWUEAC-UHFFFAOYSA-N 312.417 2.723 0 40 DFAB CCn1c(C(=O)N[C@H](C(N)=O)c2ccccc2)cc2ccccc21 71819811 LWRNGMZCKVBJEL-KRWDZBQOSA-N 321.380 2.618 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCSCC1 71813650 KQPPFNALSFICRK-UHFFFAOYSA-N 300.427 2.970 0 40 DFAB COc1cccc2c1OCC(C(=O)N[C@H](C)c1ccccn1)=C2 69774084 QXYKOQPHSNWAFK-GFCCVEGCSA-N 310.353 2.743 0 40 DFAB CCc1noc(CN(C)C(=O)NCc2c(C)cc(C)cc2C)n1 69821215 KLWOLYRWMBREFF-UHFFFAOYSA-N 316.405 2.899 0 40 DFAB CCCCC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 9668745 ARQUWIJNYRFKQV-UHFFFAOYSA-N 301.375 2.982 0 40 DFAB COC(=O)C1(NCc2cnc(-c3ccc(Cl)cc3)nc2)CC1 95452678 RYLSXYYEEZUHOO-UHFFFAOYSA-N 317.776 2.592 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)C[C@@H]2C=CCC2)C(=O)O)c1 97018744 OHIXPGCCGNXSBO-ZBFHGGJFSA-N 301.386 2.711 0 40 DFAB Cc1ccccc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)O)s1 97050116 FQDMTUMBUZNQCX-JTQLQIEISA-N 304.371 2.949 0 40 DFAB CC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 95998572 NKRGRSSWRMWVHE-MRXNPFEDSA-N 317.364 2.548 0 40 DFAB Cc1cc2ncnc(NC[C@H]3CN(C4CC4)CCO3)c2cc1C 95945043 ZFRSCLHIKYHLCP-HNNXBMFYSA-N 312.417 2.522 0 40 DFAB O=C1CCc2ccc(Nc3ncc(Br)cn3)cc2N1 95961999 SCSCVDNGLBPXTC-UHFFFAOYSA-N 319.162 2.867 0 40 DFAB O=C(NCCCc1cccs1)N[C@H]1CCO[C@H](C2CC2)C1 95943356 YDQBQDMZIITINZ-ZFWWWQNUSA-N 308.447 2.938 0 40 DFAB Cc1cc(NCC2(CS(C)(=O)=O)CC2)c2ccccc2n1 95972070 KHXJVVOLYWWBCE-UHFFFAOYSA-N 304.415 2.780 0 40 DFAB Cc1nn(C(C)(C)C)c(=O)n1Cc1coc(-c2cccs2)n1 95992760 OWTICJYLSNYLKQ-UHFFFAOYSA-N 318.402 2.873 0 40 DFAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)n(C)n1 89591710 PILAMRODFUPXAD-ZDUSSCGKSA-N 317.364 2.900 0 40 DFAB Cc1nc(-c2cc(C(=O)N3CCC[C@H]([C@@H](C)O)C3)co2)cs1 89712554 JWDRDQVDXYOAQM-PWSUYJOCSA-N 320.414 2.945 0 40 DFAB Cc1nc(Cc2noc(-c3ncoc3-c3cccs3)n2)no1 89718472 CYBFVYJSVZUVHK-UHFFFAOYSA-N 315.314 2.735 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1ccn(C2CCCC2)n1 89884706 RPWMCCXPHFNRFS-UHFFFAOYSA-N 301.390 2.818 0 40 DFAB c1ccc(-c2nnc3n2CCN(c2nc(C4CC4)ns2)C3)cc1 89853173 XDTZPFSNTYEYTL-UHFFFAOYSA-N 324.413 2.694 0 40 DFAB CCCNC(=O)[C@H](C)Nc1ccn([C@H](C)c2ccccc2)n1 89960162 SCNXBDQSXZKSMX-UONOGXRCSA-N 300.406 2.819 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1 1507966 ROPQWDJNIRYVHU-SFHVURJKSA-N 308.381 2.562 0 40 DFAB biogenic COc1ccccc1[C@H](N[C@H]1CCCSC1)c1noc(C)n1 183659933 JWLRCAANOYIRTL-WFASDCNBSA-N 319.430 2.961 0 40 DFAB OCCN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359285 DIEOCVOXCDHNJA-UHFFFAOYSA-N 317.820 2.969 0 40 DFAB O=C(CCOc1ccc(Cl)cc1)N1CCC[C@H]1c1ncon1 566705976 FUMMHWHKPIPDPY-ZDUSSCGKSA-N 321.764 2.856 0 40 DFAB C[C@@]1(C(=O)NC2CCCCC2)Oc2ccc(Cl)cc2NC1=O 41549751 LSKBEPOGBMBLGY-INIZCTEOSA-N 322.792 2.879 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 45952551 RKDNLJALONLNSA-MRVPVSSYSA-N 302.157 2.909 0 40 DFAB Cc1ccc(O[C@@H](C)CNC(=O)Cc2csc(C)n2)cc1 80662282 CIJOQDXOUOAZEM-LBPRGKRZSA-N 304.415 2.886 0 40 DFAB Oc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 195575890 IORNYTCDRNWVQQ-GOSISDBHSA-N 305.418 2.942 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N1CC[C@@H](O)[C@@H](C)C1 190531072 GBXADKMAFUKJQO-SMDDNHRTSA-N 311.809 2.511 0 40 DFAB COC(=O)c1cccc(CNc2cc(Cl)ccc2C(N)=O)c1 25745991 FIZZGTYQVMGZBP-UHFFFAOYSA-N 318.760 2.838 0 40 DFAB Cc1ncccc1C(=O)Nc1cccc(C[S@](C)=O)c1C 96408321 IGGVGPGBWXPASC-OAQYLSRUSA-N 302.399 2.829 0 40 DFAB Cc1ccnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 96502830 YVAPCEQJCKKGOY-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB COCc1nc2n(n1)C[C@H](N[C@@H](C)[C@H]1CC3CCC1CC3)CC2 583650826 CGQOVAUJKYJMQN-CHQKBHSXSA-N 318.465 2.544 0 40 DFAB CCCNC(=O)Nc1cccc(OCc2nc(CC)no2)c1 96428870 CEEAGHVJWLCCFR-UHFFFAOYSA-N 304.350 2.743 0 40 DFAB C/C(=C\C(=O)NCc1ncc[nH]1)c1ccccc1OC(F)F 98019010 RPQNYRDYUHYDHB-CSKARUKUSA-N 307.300 2.731 0 40 DFAB COC(=O)CC(C)(C)CC(=O)Nc1cccc2c1CCN2C 96493645 QHTIEHGITIZJJE-UHFFFAOYSA-N 304.390 2.597 0 40 DFAB Brc1ccc2nc(CSc3cn[nH]n3)cn2c1 96466000 LFEKOSCENALYDT-UHFFFAOYSA-N 310.180 2.507 0 40 DFAB O=C(NCCc1nnc(-c2ccccc2)o1)[C@H]1C[C@@H]1c1ccco1 96450013 HZKJNIVPSUHYTO-KBPBESRZSA-N 323.352 2.792 0 40 DFAB Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H]1C[C@H]2CC[C@H]1O2 252487347 VRMDJVHWYWHDAH-KCYZZUKISA-N 318.417 2.629 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)CCCc2ccncc2)n1 257307217 SXRSFKPCSKNQBF-KRWDZBQOSA-N 310.401 2.866 0 40 DFAB CN1CCC(Cc2cncc(-c3ccc(C(=O)O)cc3)n2)CC1 257232549 GLIRBCIGKVCQCE-UHFFFAOYSA-N 311.385 2.726 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 252504684 COPNRBGCMYZHMV-KJWYOANISA-N 310.482 2.804 0 40 DFAB CN1CCC[C@@H](Cc2nccnc2-c2ccc(C(=O)O)cc2)C1 257285503 PHLFISVGPKEPJR-ZDUSSCGKSA-N 311.385 2.726 0 40 DFAB Nc1nc2nc([C@H]3CCCCN3c3ncccn3)ccc2s1 257287319 PPLOEOBBHLDVMT-LLVKDONJSA-N 312.402 2.795 0 40 DFAB CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1c1ccccc1 257205450 AZCYFQVYMUUWHW-LJQANCHMSA-N 309.413 2.795 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)s1 257341407 ZKEKHZCFAHDIPV-GFCCVEGCSA-N 304.419 2.578 0 40 DFAB Cc1ccn(CCC(=O)N2CCC[C@@H]2CCc2ccncc2)n1 257340337 ZFOSEGVQIVHDFC-QGZVFWFLSA-N 312.417 2.600 0 40 DFAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C1CCCCC1 257232787 GMLAQJAQICQBFF-KRWDZBQOSA-N 316.449 2.891 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)C(C)C 32038111 XIUKMYPVTDVPSM-QPUJVOFHSA-N 302.827 2.739 0 40 DFAB CC(=O)Nc1cc(NCc2nc(CC(C)C)no2)ccc1F 55832383 JMJLSZYQJUJSGD-UHFFFAOYSA-N 306.341 2.978 0 40 DFAB Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)[nH]n1 57259379 QLDPVSSEAQAGJA-KRWDZBQOSA-N 306.369 2.765 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnsc1Cl 71876666 QXNGVFICRMPROE-LLVKDONJSA-N 311.842 2.879 0 40 DFAB O=C(c1ccc(Cl)nc1)N1CCN(c2ccccc2)CC1 1006990 NUDYIEVYKBERGG-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB CSc1ncccc1C(=O)N1CCCN(C2CCC2)CC1 824958823 CLHTWJCCPBJESA-UHFFFAOYSA-N 305.447 2.504 0 40 DFAB Cc1cccc(CC(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)c1 12114755 QNAWHCWNEGPWLQ-ZDUSSCGKSA-N 321.384 2.595 0 40 DFAB COc1cc2cc(CNCc3ccccc3)c(=O)[nH]c2cc1OC 13999232 JTJBHQRIPQOUMN-UHFFFAOYSA-N 324.380 2.835 0 40 DFAB Cc1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)[C@H](C)O2 15941286 ALFOSHMRJGCQNX-AWEZNQCLSA-N 316.401 2.512 0 40 DFAB CCCOC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 16222365 TZCFBQBSYFXHJB-UHFFFAOYSA-N 308.337 2.953 0 40 DFAB COCCC(=O)N1CCC(NC[C@@H]2C(C)=CCC[C@H]2C)CC1 152629639 FBEBSJJPIZGNMH-NVXWUHKLSA-N 308.466 2.596 0 40 DFAB Cc1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)cn1 156431889 ACMBSZJWLUWKSU-OAHLLOKOSA-N 302.422 2.730 0 40 DFAB CNC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 11117046 AFTYXZUJJYGNCL-UHFFFAOYSA-N 317.776 2.750 0 40 DFAB Cc1ccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)cc1 1889139045 ZZHVARVVCNYDEQ-QGZVFWFLSA-N 318.486 2.782 0 40 DFAB COc1cccc([C@H](O)CN2CCN(c3ccccc3)CC2)c1 19785108 ZYRYAVJSXVSLFT-LJQANCHMSA-N 312.413 2.551 0 40 DFAB Cc1noc([C@H]2CC(=O)N(Cc3ccc(F)cc3Cl)C2)n1 38923665 PTUSCSBVEKDFGP-JTQLQIEISA-N 309.728 2.687 0 40 DFAB CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21 911 WHHHJDGNBVQNAU-UHFFFAOYSA-N 308.337 2.705 0 40 DFAB in-man COc1cccc(COCC(=O)N2CCc3sccc3C2)c1 40534037 XSJSIWZOIQXWSJ-UHFFFAOYSA-N 317.410 2.858 0 40 DFAB CCc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1 101027671 FNZPUFQNNNOEOR-INIZCTEOSA-N 310.353 2.777 0 40 DFAB O=C([C@H]1CCCO1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20731904 ACEJSRFSZKXLAN-OAHLLOKOSA-N 304.777 2.885 0 40 DFAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1 21791028 JRPSYLRNWCYQPX-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1ccc(F)cc1 32907087 SSHJCYHHVWUTSE-JTQLQIEISA-N 302.353 2.585 0 40 DFAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F 22239203 ASJRSTRSINEMRB-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NCc3cccs3)CC2=O)cc1 382591 ZDPHMIZRCLNMTH-ZDUSSCGKSA-N 314.410 2.726 0 40 DFAB Cc1c(C(=O)OCCCNC(N)=O)oc2c(Cl)cccc12 78948415 VWZCMQUPVMHQSY-UHFFFAOYSA-N 310.737 2.610 0 40 DFAB O=C(CN1C(=O)COc2ccccc21)NC1CCCCCCC1 4688210 UKKBOJPNEUNSAC-UHFFFAOYSA-N 316.401 2.641 0 40 DFAB C[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC(C)(C)C 4967015 BIRRKQBAJFSPNW-VIFPVBQESA-N 308.403 2.700 0 40 DFAB CCCc1n[nH]c(=S)n1NCc1ccc(OC)c(OC)c1 7601264 QYDSBMVARRGNHN-UHFFFAOYSA-N 308.407 2.654 0 40 DFAB Cc1noc(NC(=O)Cc2nc(-c3cccs3)oc2C)n1 42703734 KFDDTLLMNFIFOL-UHFFFAOYSA-N 304.331 2.584 0 40 DFAB O=C1N[C@H](c2cc(Cl)c3c(c2)OCO3)Nc2ccccc21 12537355 JGFLINXYXHVLGQ-CQSZACIVSA-N 302.717 2.923 0 40 DFAB Cc1cccc(OCCNC(=O)/C=C/c2c(C)nn(C)c2C)c1 24580602 JUISGUNIZQPMSC-CMDGGOBGSA-N 313.401 2.554 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)COc1ccccc1)c1ccccc1 12532135 YLJPMJMJTMJCBH-SFHVURJKSA-N 321.380 2.705 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)[C@H]1CC(=O)Nc2ccccc21 25256913 QKJGCUPRWWBPJS-XZKWLNOSSA-N 309.369 2.563 0 40 DFAB CN(C)c1nc(N(C)C)n(-c2ccc(Cl)cc2Cl)n1 1400697 ZAEQZACTKZGPKJ-UHFFFAOYSA-N 300.193 2.706 0 40 DFAB CC(=O)Nc1cccc2c1CCN(C(=O)Nc1cccnc1)C2 56347493 IZTHKVCOHZFTMN-UHFFFAOYSA-N 310.357 2.630 0 40 DFAB CCc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)(C)C)o1 85707113 AAKJHUJNCSDCNG-AWEZNQCLSA-N 300.366 2.874 0 40 DFAB Cc1ccc(CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 9604053 TVUODMIUNPOOOH-MRXNPFEDSA-N 314.385 2.659 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 48273380 MLDMCKHHPXGBCS-GFCCVEGCSA-N 308.378 2.543 0 40 DFAB COc1ccc(COC[C@@H](O)CN[C@@H](C)CCC(C)C)cc1 10025452 IKHVAFPUDSRLBA-RDJZCZTQSA-N 309.450 2.987 0 40 DFAB CCc1noc([C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 44737489 DLDQGZJTUVYGTP-RISCZKNCSA-N 305.353 2.906 0 40 DFAB Cc1sc(NC(=O)c2nccnc2N)nc1-c1ccccc1 12792513 FDFXSFPPZNXAPE-UHFFFAOYSA-N 311.370 2.743 0 40 DFAB CCCCC(=O)N[C@@H](c1ccccc1OC)c1nccn1C 44890312 AKYMDAUYLOIYLN-INIZCTEOSA-N 301.390 2.825 0 40 DFAB CCN(C(=O)CN1CCSC1=O)c1nc2ccccc2s1 44872591 RKFHAXYQCZDVDK-UHFFFAOYSA-N 321.427 2.818 0 40 DFAB CC(C)c1noc([C@H](C)Oc2ccc(S(C)(=O)=O)cc2)n1 44908615 AQGPVJMIWQGQJT-JTQLQIEISA-N 310.375 2.737 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 100255504 ZYFMULYSYGWLGY-QZTJIDSGSA-N 315.369 2.950 0 40 DFAB CCOC(=O)c1ccoc1CN1CCN(c2ccccc2)CC1 58311793 FWERBQOHFAJGCD-UHFFFAOYSA-N 314.385 2.779 0 40 DFAB CNC(=O)CCNC(=O)c1cc2sc3ccccc3c2s1 58414664 DJGHRXOTTSTAHJ-UHFFFAOYSA-N 318.423 2.982 0 40 DFAB Cn1ccnc1SCC(=O)Nc1ccccc1OC(F)F 3372975 ZAYGINNBYYOVLQ-UHFFFAOYSA-N 313.329 2.752 0 40 DFAB C[C@@H](C1CC1)N(C)CC(=O)Nc1ccnn1Cc1cccs1 48342046 BQNZOYRRUKKPLA-LBPRGKRZSA-N 318.446 2.662 0 40 DFAB O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc(O)cc1 89857864 IQGCWJQUNRAXNT-UHFFFAOYSA-N 311.337 2.591 0 40 DFAB O=C(CN1CCn2cccc2[C@H]1c1ccccc1)NC1CCCC1 58754087 LTLFMKYHFNOXLG-HXUWFJFHSA-N 323.440 2.952 0 40 DFAB CC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1 11006066 FKIJRDJMNHUYSV-UHFFFAOYSA-N 311.385 2.972 0 40 DFAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccoc2)CC1 24083348 LVXDWJZIBIHPTM-UHFFFAOYSA-N 314.385 2.555 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1O 21596241 GNNGVSCONPUILX-UHFFFAOYSA-N 316.382 2.836 0 40 DFAB CC(C)c1nc(CCNC(=O)N2CCS[C@H](C)C2)cs1 84715152 FWQJSEWYJHVFNX-LLVKDONJSA-N 313.492 2.956 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1cccs1 29321518 TZYSSEPPZOZTOC-UHFFFAOYSA-N 316.430 2.743 0 40 DFAB CCC[C@H](C)NC(=O)c1cn(C)c2ccc(OCC)cc2c1=O 22237351 ISQCBQPBHHOHOE-LBPRGKRZSA-N 316.401 2.856 0 40 DFAB COC(=O)[C@](C)(NC(=O)c1ccoc1C)c1cc(F)ccc1F 60379684 MLIHZNPKZMQJEZ-MRXNPFEDSA-N 323.295 2.684 0 40 DFAB CCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1 3552818 NXMCWVULIYGLQN-UHFFFAOYSA-N 303.387 2.995 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 4143207 VQFOGXGGJWPGIM-NNFUDEMPSA-N 305.333 2.673 0 40 DFAB CCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cc1 5027950 OIHYTOJNRMJXRM-UHFFFAOYSA-N 319.382 2.772 0 40 DFAB C[C@@H](C(=O)N1CCCCCC1)n1cc(Br)cn1 28224565 PEOARXBZXFQLQC-JTQLQIEISA-N 300.200 2.609 0 40 DFAB CCCCc1noc([C@H](C)N[C@@H]2CCN(C(C)=O)C[C@@H]2CC)n1 95402474 FZKSXYRMTRJKMZ-AEGPPILISA-N 322.453 2.710 0 40 DFAB CCOCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 13941701 BYKBPCAGTQQORO-UHFFFAOYSA-N 304.390 2.724 0 40 DFAB Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1ccccc1F 65474609 HEJIIJZUFISCNU-AWEZNQCLSA-N 317.360 2.612 0 40 DFAB NC(=O)c1ccc(O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 14200741 IKXTUSHLJGALSR-QGZVFWFLSA-N 324.380 2.528 0 40 DFAB COC(=O)c1ccccc1Oc1nc2ccccc2n2cnnc12 5426832 KQVYJBPPTCDDOM-UHFFFAOYSA-N 320.308 2.856 0 40 DFAB CN(C)Cn1ccnc1C(O)(c1ccccc1)c1ccccc1 26522638 QAEHUYFRIJVWIF-UHFFFAOYSA-N 307.397 2.686 0 40 DFAB CC[C@@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@H]1O 95446319 WNKKWIDDNLVIRO-VMIDCOPPSA-N 324.218 2.692 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1C)c1ccccc1 7976933 MJGZELISLODAMC-SFHVURJKSA-N 310.397 2.879 0 40 DFAB CCOC1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 84801108 PWQSNJGUEGJTQA-UHFFFAOYSA-N 305.353 2.877 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 8219319 BRUNBKBMAWYXKS-ZBFHGGJFSA-N 316.445 2.771 0 40 DFAB C[C@H](O)CN1CCC(CNCc2c(F)cccc2Cl)CC1 69349888 KAEYOXZNJCPXET-LBPRGKRZSA-N 314.832 2.662 0 40 DFAB C[C@H](NC(=O)NC1CCCCCC1)C(=O)N1CCCC[C@@H]1C 72083014 RYLRYSCKUAAQKZ-KBPBESRZSA-N 309.454 2.798 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)cs1 69819843 ADORGXQABLJDLZ-CQSZACIVSA-N 318.446 2.617 0 40 DFAB O=C1NC(=O)[C@@]23CC[C@@]12C1c2ccccc2C3c2ccccc21 18255831 JXGNZOPCKCUWKV-BIUPVWIKSA-N 301.345 2.700 0 40 DFAB Cc1cccc(-n2c(C)nnc2S[C@@H]2CCCCNC2=O)c1 8708786 WFVUSNQFGSXERS-CQSZACIVSA-N 316.430 2.645 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc(NC(C)=O)cc2)cc1 8705618 SIOHFRCGRKMIAL-UHFFFAOYSA-N 312.369 2.513 0 40 DFAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 9883571 CHXAJJHLLGFSHG-VIFPVBQESA-N 308.721 2.820 0 40 DFAB Cc1cccc(OC2CCN(Cc3nnc(C4CC4)o3)CC2)n1 97082885 YDPDVRYFPALJBC-UHFFFAOYSA-N 314.389 2.694 0 40 DFAB Cc1nccc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 97009707 DVWNVUROPBSHJR-ZDUSSCGKSA-N 306.410 2.621 0 40 DFAB CO[C@@H](C(=O)N(C)C[C@@H](O)c1ccc(F)cc1)c1ccccc1 87508100 BCZQCARAIZDFSO-IAGOWNOFSA-N 317.360 2.705 0 40 DFAB CN(C)c1ncnc2c1CN(c1nc3ccccc3s1)CC2 97202032 SSZOFHPZKFBOIB-UHFFFAOYSA-N 311.414 2.715 0 40 DFAB C[C@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)n1cncn1 95987130 SBJRZSOSPBJLQB-ZWNOBZJWSA-N 320.780 2.523 0 40 DFAB Cc1csc(NC(=O)CNC(C)(C)c2nc(C)c(C)s2)n1 72866321 RUSKRMPNOHWESM-UHFFFAOYSA-N 324.475 2.988 0 40 DFAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 36123576 JBKUPYOUMTYOAH-FZDBZEDMSA-N 317.344 2.796 0 40 DFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)NC1CCCC1 78663216 MOHMGTVYWZTCEX-CYBMUJFWSA-N 316.323 2.981 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1 6337325 YJOYNOVVMZSMGR-SFHVURJKSA-N 322.408 2.660 0 40 DFAB Cc1nc2c(N(Cc3ccccc3)C(C)C)nc(N)nc2n1C 72240948 SIEJEUCXCJEASL-UHFFFAOYSA-N 310.405 2.669 0 40 DFAB CCn1cc(Nc2ccccc2S(=O)(=O)C(F)(F)F)cn1 35781371 GJSWQNIVWXLGQI-UHFFFAOYSA-N 319.308 2.940 0 40 DFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2=O)cc1 216017961 WNUFBUUFXVZMCX-OIISXLGYSA-N 312.413 2.727 0 40 DFAB CC[C@H](COC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 78556658 CHBDHAWBLQCFRY-UKRRQHHQSA-N 304.390 2.514 0 40 DFAB O=C(CCc1nc(-c2cccc(F)c2)no1)N1CCCCC1 225800706 SPYUHWQGPJLPIC-UHFFFAOYSA-N 303.337 2.821 0 40 DFAB CCNC(=O)c1cc2nc(C(=O)OC)n(C(C)C)c2cc1Cl 225730678 SYVZYWWOCQTLMG-UHFFFAOYSA-N 323.780 2.807 0 40 DFAB Cc1cc(NC(=O)C[C@@H](CC(=O)O)c2ccc(F)cc2)no1 226750494 RCXHIALKPNQDLE-NSHDSACASA-N 306.293 2.709 0 40 DFAB CCCCNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223390345 UYYYUJTYAMFQFD-INIZCTEOSA-N 313.401 2.575 0 40 DFAB Cc1noc(C)c1C(=O)NCC[C@H](O)c1cccc(Cl)c1 225610791 GXJSWIKPEXSCBO-ZDUSSCGKSA-N 308.765 2.798 0 40 DFAB NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438241 BOBRAJRBEGHNRY-UHFFFAOYSA-N 309.413 2.827 0 40 DFAB Cc1ncc(C(=O)NCC[C@@H](C)[S@@](C)=O)c(Cl)c1Cl 96486957 BZCRAOXIHBZFKE-XJZHNMMOSA-N 323.245 2.584 0 40 DFAB c1cc(CN(C[C@@H]2CCOC2)C2CC2)c2c(c1)OCCCO2 96489691 SNWZEHKHLHFTMC-AWEZNQCLSA-N 303.402 2.849 0 40 DFAB Cc1ccc(OC(=O)c2c(C)c(C)nn(C)c2=O)c(Cl)c1 96418979 OGKDPKNSVXYSHL-UHFFFAOYSA-N 306.749 2.578 0 40 DFAB O[C@H]1CCCC[C@@H]1N1CCC(OCCOc2ccccc2)CC1 96485524 GYBSSXUIWDQMBT-OALUTQOASA-N 319.445 2.850 0 40 DFAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cnoc1C1CC1 583619721 UXOQIIYMVNPCRU-ARFHVFGLSA-N 306.406 2.568 0 40 DFAB Cc1ccc(CN2CC3(CCN(c4ncccn4)C3)C2)s1 96202576 KRFCEULQJAYAJG-UHFFFAOYSA-N 300.431 2.559 0 40 DFAB Cc1cnc(CNC(=O)NCC(C)(C)N2CCC[C@H](C)C2)s1 96439389 IKHFKFYMNRSAPB-LBPRGKRZSA-N 324.494 2.761 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)CC1CCCC1)CC2 96106338 HITWCNBWIGNFMC-MRXNPFEDSA-N 309.450 2.858 0 40 DFAB O=C(NCCCF)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490624 PJSAQKGYMUBIJN-CHWSQXEVSA-N 300.761 2.829 0 40 DFAB O=C(C1=CCCC1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039942 OQAQYDGTARCWOL-MJGOQNOKSA-N 319.445 2.921 0 40 DFAB CCOCc1cnc2n1CCN(Cc1nc(C)cs1)[C@H]2C 96109687 MCZWBPDBIMQLEC-LBPRGKRZSA-N 306.435 2.761 0 40 DFAB C[C@H](NC(=O)Cc1cccc(O)c1)c1ccccc1-n1cccn1 96471240 CEJSJCUVAJSLKB-AWEZNQCLSA-N 321.380 2.998 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccn1 245316697 KEEWIKIKQXTMJF-SLBVQIDZSA-N 317.433 2.891 0 40 DFAB FC(F)(F)c1ccc(C[C@H]2COC3(CCNCC3)C2)nc1 257262297 LKWLYNVKIWBRJK-LLVKDONJSA-N 300.324 2.802 0 40 DFAB Cn1c(CN2CCC[C@H](Cc3ccn[nH]3)C2)nc2ccccc21 257321791 WDGDMZKNAPPLIP-CQSZACIVSA-N 309.417 2.751 0 40 DFAB COCC1(C(=O)Nc2ncc(C)cc2Br)CCC1 284271212 RGRAHZBSQUPFFI-UHFFFAOYSA-N 313.195 2.908 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)CO[C@H]1CCCC[C@H]1C 71903402 IMHXHAPNCZEKHA-CJNGLKHVSA-N 318.417 2.509 0 40 DFAB Cn1cc(Cl)cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 47684665 LNKKBLFORYYWRL-UHFFFAOYSA-N 312.156 2.683 0 40 DFAB O=C(Nc1nncs1)N1CCCN(CC2CCCCC2)CC1 56527855 KLOJSGDWWLIKND-UHFFFAOYSA-N 323.466 2.658 0 40 DFAB O=C(Nc1ccccc1)c1ccc(NCc2ccncc2)nn1 95416429 ABQWIIRCXOTVSN-UHFFFAOYSA-N 305.341 2.736 0 40 DFAB O=C(NCC1(CO)CC1)N[C@@H](c1cc2ccccc2o1)C1CC1 95963216 UYRVJCYDQRFSQJ-MRXNPFEDSA-N 314.385 2.956 0 40 DFAB CCOc1c(Cl)cccc1NC(=O)N[C@H](C)C[S@@](C)=O 97107366 YSRNYHASUOSDIE-YBYGRFCBSA-N 318.826 2.627 0 40 DFAB CCC[C@H]1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 89950078 TYPZXYBCNXUWHV-OAHLLOKOSA-N 304.415 2.887 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCO[C@@H]([C@H]2CCCO2)C1 107516415 NKYYBRBOYUEWIC-YLFCFFPRSA-N 322.449 2.545 0 40 DFAB CC(C)C[C@H](OC(=O)c1ccc(=O)n(C)c1)c1ccccn1 79109668 NCBQLDMLCOVKQM-HNNXBMFYSA-N 300.358 2.725 0 40 DFAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CC[C@@H](O)C1 91032367 FOVRZLMTCGXONV-QGZVFWFLSA-N 324.380 2.887 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC12CCOCC2 585409504 UEXMDSFDMAWERX-IUODEOHRSA-N 307.365 2.668 0 40 DFAB C[C@H]1CCN(C[C@@H]2CCCNC2)CCN1Cc1ccccc1 97229002 GUKIXORTYCIUMN-PKOBYXMFSA-N 301.478 2.582 0 40 DFAB Cc1nc(CN2CC[C@](O)(COc3ccccc3C)C2)cs1 1615142753 IYMDZYNWAWRQQN-QGZVFWFLSA-N 318.442 2.776 0 40 DFAB CN(C)C1CCC2(CC1)CN(C1COC1)Cc1ccccc1O2 1615152421 BHJAUUHKMWHBHP-UHFFFAOYSA-N 316.445 2.523 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1 5794396 IRQVNORIHCMHAS-HUUCEWRRSA-N 300.402 2.606 0 40 DFAB CCc1c(C)nc(SCC(=O)Nc2ccccc2F)[nH]c1=O 5021630 QJUOFXBXLWBVBA-UHFFFAOYSA-N 321.377 2.511 0 40 DFAB CC(=O)c1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc1 14165502 UBVCFHPPXBAFKJ-OAHLLOKOSA-N 324.336 2.618 0 40 DFAB COC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)s1 15193560 SKBFBKJNXSQNMP-UHFFFAOYSA-N 308.359 2.711 0 40 DFAB Cc1cc(C)n([C@@H](C)CC(=O)NC[C@@H](C)N2CCC(C)CC2)n1 19573062 MMZFLIRCMSJTHH-DLBZAZTESA-N 320.481 2.688 0 40 DFAB CC[C@@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 152917760 XBGJIPXVRJQWHW-GXTWGEPZSA-N 310.825 2.695 0 40 DFAB OC1CCN(Cn2[nH]c(-c3ccc(Cl)cc3)nc2=S)CC1 12579084 HRPDCLMUTCPNFX-UHFFFAOYSA-N 324.837 2.675 0 40 DFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(C)CC2)c1 15470961 OWLFBDBJIHAPRS-CYBMUJFWSA-N 306.406 2.763 0 40 DFAB CCN1CCC[C@@H]1CNC[C@H](O)COc1ccccc1C(C)C 22041628 HAHPTMDDSGHXQD-SJORKVTESA-N 320.477 2.624 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c(Br)cnn1C 2752524 FJOCOFULSNSOSQ-RKDXNWHRSA-N 300.200 2.586 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c(C)o1 252498980 RSFAUSSIBXWUTA-QGZVFWFLSA-N 312.369 2.852 0 40 DFAB O=C(NC[C@]1(O)CSCc2ccccc21)c1ccsc1 2087131607 RLIDPLCNPRVDMW-HNNXBMFYSA-N 305.424 2.613 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)CN1C 1565542860 YJNAPMCPWABAPQ-FUHWJXTLSA-N 320.477 2.692 0 40 DFAB O=c1/c(=C/c2ccc(F)cc2F)sc2nc3ccccc3n12 83075 PBCVSGZIJGYBBV-AUWJEWJLSA-N 314.316 2.735 0 40 DFAB Cc1nnc(N2CCC(NC(=O)C3CCC3)CC2)c2ccccc12 2298049949 PLAYPEDEBFJTFD-UHFFFAOYSA-N 324.428 2.823 0 40 DFAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2C[C@@H]1O 2332242854 VXFYHKPCVRYTGA-FSDCSDTHSA-N 317.458 2.697 0 40 DFAB CCCNC(=O)[C@@H](C)SCc1nc(-c2ccccc2)no1 40497745 OSGLSBMQWMYMSE-LLVKDONJSA-N 305.403 2.885 0 40 DFAB Cc1noc(C)c1C(=O)N(C)Cc1ccc(Br)o1 40515278 OACHCNXWDYRKHP-UHFFFAOYSA-N 313.151 2.919 0 40 DFAB CC(C)CCN[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 32855738 PZOOERIJDHEGJF-GFCCVEGCSA-N 300.410 2.894 0 40 DFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)s1 102636725 KXQRQBAFSDOKNR-IUCAKERBSA-N 311.790 2.759 0 40 DFAB COc1ccccc1C(=O)c1ccc(CN2CCN(C)CC2)cc1 22027871 ISPNFOSCZQTNRN-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1 545501 WOSJPJAVCIJXAY-UHFFFAOYSA-N 312.764 2.987 0 40 DFAB COc1ccc2nc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)ccc2c1 53377021 ZUOFTFCKWBPHEE-DLBZAZTESA-N 312.369 2.637 0 40 DFAB CN1C(=O)[C@@H]2C=CC=C[C@@H]2N=C1SCc1ccccc1F 133988 OLTGAGXIVICGRJ-OCCSQVGLSA-N 302.374 2.998 0 40 DFAB Cc1c(C(=O)N(CC(N)=O)C2CCCC2)oc2c(F)cccc12 47236549 LTCUHQPYSPYDEY-UHFFFAOYSA-N 318.348 2.750 0 40 DFAB O=C(Cc1cccs1)N1CCN(Cc2ccccc2)CC1 19309163 LLPOJMZAXQGFCR-UHFFFAOYSA-N 300.427 2.635 0 40 DFAB Cc1noc2ncc(NC(=O)c3ccc(Cn4ccnc4)o3)cc12 76588286 ROGXBINUZULSPC-UHFFFAOYSA-N 323.312 2.621 0 40 DFAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1C 78870018 WZVFLVNFHVECFF-YUELXQCFSA-N 304.390 2.939 0 40 DFAB Cc1ccc2nc(C)c(C(=O)NCCSCCCO)cc2c1 79109924 IWCZTWBNNBKPSM-UHFFFAOYSA-N 318.442 2.697 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79158674 MAHAVIOAZCXICG-RLCCDNCMSA-N 316.426 2.637 0 40 DFAB COc1cccc2cc(C(=O)N3CCCCCC3)c(=O)oc12 802730 DFFURTVFBMBGCW-UHFFFAOYSA-N 301.342 2.818 0 40 DFAB Cc1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 23055112 NVEDFWIKMHALJF-UHFFFAOYSA-N 317.410 2.671 0 40 DFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccco2)CC1=O 7882134 RRJRPAYXUZZGQS-HIFRSBDPSA-N 312.369 2.506 0 40 DFAB O=c1c2ccccc2[nH]c(=S)n1CCCOC[C@@H]1CCCO1 12557366 BGDMWKFMSUKUEU-LBPRGKRZSA-N 320.414 2.645 0 40 DFAB CC(=O)NCCC(=O)Nc1ccc(N2CCCCCC2)cc1 12543664 SZCRPOHLVOFCPJ-UHFFFAOYSA-N 303.406 2.532 0 40 DFAB O=C(O)C1=C[C@H](c2ccco2)n2nc(-c3ccccc3)nc2N1 102335848 ZIVRTKADRLZKFY-GFCCVEGCSA-N 308.297 2.522 0 40 DFAB NC(=O)COC(=O)c1ccc(SCc2ccccc2)cc1 56231815 WJOWYJWKHYYZKP-UHFFFAOYSA-N 301.367 2.621 0 40 DFAB O=C(NC(=S)NCCc1ccc(Cl)cc1)c1ccco1 3225739 BDADVMJJFATPJO-UHFFFAOYSA-N 308.790 2.780 0 40 DFAB COCCN1COc2c(Cl)cc3c(C)c(C)c(=O)oc3c2C1 57142870 FWUIMFLIBUGXLX-UHFFFAOYSA-N 323.776 2.862 0 40 DFAB COc1ccc(CNC(=O)c2ccc(N3CCC(C)=N3)cc2)cn1 48265639 FEIUMQYEQPUOSE-UHFFFAOYSA-N 324.384 2.606 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nnc2ccc3ccccc3n12 1924204 XPJDHLFPMGHDEH-SNVBAGLBSA-N 301.371 2.926 0 40 DFAB CCOc1cc2c(cc1CNCc1c[nH]nc1C)O[C@@H](C)C2 97139873 GDCPTLAAKLPONJ-NSHDSACASA-N 301.390 2.730 0 40 DFAB CCc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)[nH]n1 58172160 SZWBFGPXHMSFSV-UHFFFAOYSA-N 314.267 2.561 0 40 DFAB COc1ccc2c(c1)CN(C(=O)COCc1ccccc1)CC2 58192690 PIMVWXDWRVWGGG-UHFFFAOYSA-N 311.381 2.797 0 40 DFAB CN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27865965 PGINMPJZCWDQNT-HUUCEWRRSA-N 323.348 2.970 0 40 DFAB CCOCCOCC(=O)Nc1ccc(OC2CCCC2)cc1 48311106 KIRMKBBZWWDQGL-UHFFFAOYSA-N 307.390 3.000 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 100395478 CBUGEEDRWFOKJU-CNGUFQHNSA-N 322.408 2.726 0 40 DFAB O[C@H](CN1CCC(c2cc[nH]n2)CC1)c1ccc(Cl)cc1 58279128 VDIDIHYAJFRXLP-MRXNPFEDSA-N 305.809 2.976 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cnccn1 28304562 PBRZMDPXYLMAIZ-UHFFFAOYSA-N 307.357 2.591 0 40 DFAB CCCc1nnc(SCC(=O)Nc2ccccc2C(C)=O)[nH]1 11464333 IKKGXRLBAUENGG-UHFFFAOYSA-N 318.402 2.691 0 40 DFAB Brc1ccc(Cc2noc([C@H]3CCCN3)n2)cc1 36925363 FTHILGFBUNSEFV-LLVKDONJSA-N 308.179 2.847 0 40 DFAB in-vitro COc1cccc(NC(=O)COc2ncnc3sccc23)c1 3599020 RZXOFDQUZBLDBE-UHFFFAOYSA-N 315.354 2.717 0 40 DFAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)no2)cc1 2797769 SPQFJOGXHHGZCG-UHFFFAOYSA-N 310.357 2.656 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2cccc(OC)c2)cc1 3539839 LIAKLOJGDAQSNA-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB C[C@@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)Sc1ccccc1 97232261 YYWRQLICJYFLRW-ZBEGNZNMSA-N 304.415 2.888 0 40 DFAB CN(C)c1ccc(CNCc2cccc3c2OCCCO3)cn1 48711446 VNCMZYCLABTJSD-UHFFFAOYSA-N 313.401 2.599 0 40 DFAB Cn1cc(C(=O)Nc2ccnc(Oc3ccccc3)c2)ccc1=O 84314450 JHWHATRYVQRICP-UHFFFAOYSA-N 321.336 2.825 0 40 DFAB CCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 19527871 MNCXVZPLNMHGLE-UHFFFAOYSA-N 317.216 2.536 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(I)c1 6285023 WOWMKWVXHJKPSY-GMSGAONNSA-N 301.127 2.886 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCc1ccc(Cl)cc1 65474670 UQBHKOWWJAXMTD-GXTWGEPZSA-N 322.836 2.775 0 40 DFAB Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 65594183 YKZZQOLJGIDRMZ-UHFFFAOYSA-N 317.348 2.813 0 40 DFAB CCCN1CCC(CNC(=O)CSCc2ccncc2)CC1 65612866 CZTKAYNSMYDFNN-UHFFFAOYSA-N 321.490 2.553 0 40 DFAB COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)c(O)c1 14407100 SKVSYYGMWYUUAC-UHFFFAOYSA-N 323.352 2.517 0 40 DFAB COc1cc(C(=O)Nc2cc(N)ccc2F)cc(OC)c1OC 19736571 PPQASIPFMHWXME-UHFFFAOYSA-N 320.320 2.686 0 40 DFAB Cc1nc(NC[C@H]2COc3ccccc3O2)c2cccnc2n1 95362493 ZIMCMMCTUOVKLV-LBPRGKRZSA-N 308.341 2.585 0 40 DFAB CCn1nc(C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2c1=O 9364143 ISGKIJDMCLJGKV-WFASDCNBSA-N 313.401 2.725 0 40 DFAB CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1(C)C 73271455 LDULKBIATJEQNU-PBHICJAKSA-N 322.380 2.718 0 40 DFAB Brc1cnc(N2CCC[C@@H]2c2ccccn2)nc1 67369358 ZXZWIZHOKYFWRE-GFCCVEGCSA-N 305.179 2.976 0 40 DFAB COc1ccccc1NC(=O)CN1CCC[C@H]1c1cccn1C 7853680 ZKNMJVIUGRQZDY-INIZCTEOSA-N 313.401 2.809 0 40 DFAB CC(=O)NCCCCCC(=O)OCCCc1cccc(C)n1 69188641 QYWHAVXSOCETGG-UHFFFAOYSA-N 306.406 2.562 0 40 DFAB CN(Cc1nnc2ccccn12)C(=O)c1ccc(Cl)cc1 69434058 KOKOGNDUUZMWBZ-UHFFFAOYSA-N 300.749 2.655 0 40 DFAB COCCNC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 17321316 VYRVWFNRUUFGFG-UHFFFAOYSA-N 317.410 2.899 0 40 DFAB CC[C@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@@H]1O 95446318 WNKKWIDDNLVIRO-PDCFVHEKSA-N 324.218 2.692 0 40 DFAB CCCOc1cccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c1 110681186 SXGYLIXBYFUSNZ-BZUAXINKSA-N 304.390 2.595 0 40 DFAB C[C@H]1Oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2[C@H]1C 8754718 XHTVTTNGQSABSG-WDEREUQCSA-N 310.353 2.922 0 40 DFAB Cc1noc(C)c1CC(=O)NCCc1nc2c(s1)CCCC2 84023094 YEHBUUGINAHKLU-UHFFFAOYSA-N 319.430 2.528 0 40 DFAB Cc1occc1C(=O)N(C)S(=O)(=O)c1ccc(Cl)s1 84041739 ZIIVLDGRDUIMBF-UHFFFAOYSA-N 319.791 2.764 0 40 DFAB CCNC(=O)NC1CCC(OC(=O)c2cccn2C(C)C)CC1 97031981 ZXVVSPBLIMUGKT-UHFFFAOYSA-N 321.421 2.856 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccccc2NCC2CCCCC2)CN1 97083335 GBNWEMRILABXNY-CQSZACIVSA-N 315.417 2.753 0 40 DFAB CCCn1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cn1 97081136 HCBJSMFIAUBHNR-UHFFFAOYSA-N 321.764 2.970 0 40 DFAB CC(C)Oc1ncccc1N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 94635442 FCHAZTDEGKHTPL-CHWSQXEVSA-N 312.435 2.637 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H](c2ccn[nH]2)C1 72282679 AJVKIPWTFOTSQB-BBRMVZONSA-N 313.426 2.833 0 40 DFAB O=C(NCc1ccon1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984051 YFRWOIWJQROLLO-UONOGXRCSA-N 321.764 2.657 0 40 DFAB COc1ccccc1C[C@H](C)N[C@H]1CCCn2c(C)nnc21 95969041 DXEZNGYTLGTTMF-WFASDCNBSA-N 300.406 2.651 0 40 DFAB CN(CC(=O)NC1CCN(C2CC2)CC1)C1CCCCCCC1 89337141 PZEUFPBPEFAYEC-UHFFFAOYSA-N 321.509 2.774 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@@H]1CCC[C@@H]1O 89548212 QKSZKMLFPNYCCH-RYUDHWBXSA-N 320.414 2.945 0 40 DFAB Clc1ccc2c(c1Cl)CC[C@H]2Nc1ccc2nnnn2n1 75138226 YELYCXHTYXBKMN-SNVBAGLBSA-N 321.171 2.926 0 40 DFAB Fc1ccc(C2CCN(CCCN3CCOCC3)CC2)cc1F 75716824 RKMIXKCUQTYCRM-UHFFFAOYSA-N 324.415 2.867 0 40 DFAB COc1ccc(CC(=O)N2CCOc3ccccc32)cc1OC 30578368 FMCCAVTYESKNJD-UHFFFAOYSA-N 313.353 2.672 0 40 DFAB CCC1CCC(NC(=O)C(=O)Nc2cccc(OC)c2)CC1 73743327 UMHUBBSCGXTAAE-UHFFFAOYSA-N 304.390 2.719 0 40 DFAB O=C(C1CC1)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 72362066 MBPVGGOPQOWQRU-UHFFFAOYSA-N 324.384 2.780 0 40 DFAB CCOC(=O)CCSc1nc(N)c2c3c(sc2n1)CCC3 35682013 IFMFUIUXSILYEA-UHFFFAOYSA-N 323.443 2.808 0 40 DFAB Cc1n[nH]c(-c2nn3c(-c4ccccn4)nnc3s2)c1Cl 72403887 NWKVELFZIKWSCQ-UHFFFAOYSA-N 317.765 2.600 0 40 DFAB Cn1nc([C@H]2CCCN(Cc3ccsc3)C2)c2nccnc21 72393847 DCDVTJNMPHGBLP-ZDUSSCGKSA-N 313.430 2.804 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)cc2)cc1 72228058 CTRQSKPGYWJLJE-DLBZAZTESA-N 312.369 2.509 0 40 DFAB CCCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C 36636305 SGYWJKHOSGJDBA-UHFFFAOYSA-N 308.403 2.916 0 40 DFAB Cc1nc(COc2nc(Cc3ccc(F)cc3)no2)oc1C 79031579 XAIUUYCMEKDTRI-UHFFFAOYSA-N 303.293 2.983 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc(COc3ccccc3F)no2)C1 188281793 SBNXPZABQAMYLN-GFCCVEGCSA-N 319.336 2.514 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)c1c(F)cccc1-n1cccn1 563155964 RPSDTVPZZZKNMK-ZDUSSCGKSA-N 317.364 2.700 0 40 DFAB c1cn(C[C@@H]2CCCN2Cc2ccc(N3CCCC3)nc2)cn1 188411424 RMUVLZAOCSCNJM-KRWDZBQOSA-N 311.433 2.543 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(F)c2)cc1 216395047 OTRKYDFZLUDTQT-UHFFFAOYSA-N 323.345 2.554 0 40 DFAB COC(=O)CC1(NCc2ccc(Cl)cc2C)CCOCC1 130018474 SABUGIWPMBPMDW-UHFFFAOYSA-N 311.809 2.850 0 40 DFAB COC(=O)c1ccc(CNc2ncncc2Br)cc1 195540605 VEZLFZONRCIMMU-UHFFFAOYSA-N 322.162 2.638 0 40 DFAB C[C@@H](C(=O)N[C@@H]1CCCOC1)c1ccc(Br)s1 96430932 MAGWOWVRUYPEHO-RKDXNWHRSA-N 318.236 2.909 0 40 DFAB NC(=O)c1csc(CNCCc2nc3c(s2)CCCC3)c1 96482398 NENCYQDYTLEUKK-UHFFFAOYSA-N 321.471 2.515 0 40 DFAB CC[C@](Br)([C@@H](O)c1ccccc1)S(=O)(=O)CC 96521606 NXTXLHDRRCMCRW-NWDGAFQWSA-N 321.236 2.656 0 40 DFAB c1cncc(O[C@@H]2CN(Cc3ccsc3)[C@@H]3CCCO[C@H]23)c1 96042422 QSJAMGJTFPTBNE-ZACQAIPSSA-N 316.426 2.954 0 40 DFAB C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccoc1 96109737 ODCRIEWJIVKEJQ-ZDUSSCGKSA-N 301.390 2.980 0 40 DFAB c1ccc(N[C@@H]2CCO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 96218345 IUURGORDOBZRLJ-IEBWSBKVSA-N 324.428 2.712 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(CO)n1 581438762 AFZBNUOTPZYVDD-GFCCVEGCSA-N 318.804 2.722 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1c(F)cccc1F 96407459 NPHVZKKGYSVTFZ-UONOGXRCSA-N 320.383 2.811 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CCOC[C@H]3c3ccn[nH]3)cc2c1C 257199842 AAZNJDMFBHDBNI-KRWDZBQOSA-N 324.384 2.722 0 40 DFAB O=C(/C=C/c1ccoc1)NC[C@@H](c1ccsc1)N1CCC1 252540550 PLRFZVNKJWXDCQ-FAAWYNLUSA-N 302.399 2.918 0 40 DFAB O=C(O)C1(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 262169129 DCNBCHOXUPCPCO-KOLCDFICSA-N 313.275 2.542 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@H]1C[C@H]2C=C[C@H]1C2 262242295 BPQAZZQKTIWRCO-FIRSBJHFSA-N 323.751 2.933 0 40 DFAB O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)Cc2ccco2)C1 575420390 HFJKZTWKUMYHHH-OAHLLOKOSA-N 323.389 2.608 0 40 DFAB Cc1cccc(OC[C@]2(O)COCCN(C3CCCCC3)C2)c1 585275392 DKYDBNWMPQRZCM-LJQANCHMSA-N 319.445 2.770 0 40 DFAB Cc1cnccc1CCNC(=O)NC1(C(F)(F)F)CCC1 585141257 SDWOHUBAASYCRW-UHFFFAOYSA-N 301.312 2.717 0 40 DFAB Cn1cccc1C(=O)NCCc1nc(-c2ccccn2)cs1 71893390 BDFPXVKNURJTSP-UHFFFAOYSA-N 312.398 2.516 0 40 DFAB COc1ccc(CCNC(=O)CSc2ccc(O)cc2)cc1 47884236 YPMGJEAXVRSWEL-UHFFFAOYSA-N 317.410 2.852 0 40 DFAB Cc1cc(OCC2CCN(c3nc(C)ns3)CC2)ccn1 1775995133 DEQOTNIFKWQFNG-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB Cc1ccc(CCNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)cc1 75313908 QWWUADJLDIFKPL-AYHJJNSGSA-N 315.461 2.852 0 40 DFAB Cc1nc(CCNC(=O)c2cc(Br)c[nH]2)cs1 40489823 YANLFIDGPLGXNB-UHFFFAOYSA-N 314.208 2.515 0 40 DFAB C[N+](C)=c1scc(-c2cc(Br)ccc2O)s1 5535171 MBGQDRSAAWNSMM-UHFFFAOYSA-O 317.253 2.977 0 40 DFAB O=C(NC(=S)N1CCCC1)c1ccc(Br)cc1 5375765 RUKIWPTXSDXSPT-UHFFFAOYSA-N 313.220 2.560 0 40 DFAB CSc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12525978 CGHRENXFDVIYRV-UHFFFAOYSA-N 323.395 2.908 0 40 DFAB Cc1nn2c(=O)cc(COc3ccc(Cl)cc3)nc2s1 13367564 LNCDSKFUKAAWSW-UHFFFAOYSA-N 307.762 2.692 0 40 DFAB Cn1nnc2c(SCc3c(F)cccc3Cl)ncnc21 13531960 JFOPRHXSCQEOTQ-UHFFFAOYSA-N 309.757 2.843 0 40 DFAB O=C(Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)NC1CC1 13715857 MPVFPIACACSJGJ-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 13964692 CDXBJXZLLKFHIJ-CQSZACIVSA-N 305.422 2.937 0 40 DFAB Cc1ccc(CNCc2cc(-c3ccccc3)cn3nnnc23)o1 19216663 XIXTXQNQNHEAQU-UHFFFAOYSA-N 319.368 2.983 0 40 DFAB COC(=O)C1CCN(C/C(C)=C/c2ccc(OC)cc2)CC1 159192369 MBAFPMNWGXKXKY-WYMLVPIESA-N 303.402 2.984 0 40 DFAB CCS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 19765793 JFCJURXPELTGLK-SNVBAGLBSA-N 314.204 2.834 0 40 DFAB CCN(CCOc1ccc(Br)cc1)[C@@H](C)C(=O)O 225451152 ADMBDOMNWSKVIP-JTQLQIEISA-N 316.195 2.623 0 40 DFAB CNc1nc(C2CCN(C(=O)C3CCC3)CC2)cn2cccc12 2037838669 VBOWKAXCKURPRU-UHFFFAOYSA-N 312.417 2.882 0 40 DFAB Cc1cnc(C)c(OC2CCN(c3nc(C)cnc3C)CC2)n1 2087122912 PRJHAMPJRCASIC-UHFFFAOYSA-N 313.405 2.548 0 40 DFAB Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3C)CC2)s1 1565543237 DKRKATUTARRSBX-MRXNPFEDSA-N 307.463 2.737 0 40 DFAB CC(C)CC[C@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2)C1=O 25224340 NLZIDFPDDVWQHL-YOEHRIQHSA-N 322.380 2.606 0 40 DFAB CCN1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)CC1=O 2055796175 KSDWMUGMQUHDBX-AATRIKPKSA-N 318.442 2.622 0 40 DFAB CCOC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 21356555 ZRZJZTMPIWGUHL-UHFFFAOYSA-N 314.366 2.688 0 40 DFAB CC(C)(C)c1ccc(OCC2CCN(C(=O)C3CC3)CC2)nn1 1775965731 CTCVBWQGLSEKTC-UHFFFAOYSA-N 317.433 2.802 0 40 DFAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2Cl)C1)C1CC1 1006516122 RXGOYCNFMHDRIM-LBPRGKRZSA-N 310.800 2.970 0 40 DFAB c1ccc2sc(N3CC[C@H](COc4cnccn4)C3)nc2c1 2298223834 SPHGXAQXHIECMA-LBPRGKRZSA-N 312.398 2.992 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 40540592 BYTIIHSZHSSHMN-TXEJJXNPSA-N 321.377 2.896 0 40 DFAB CCN(CC)c1ccc(CNC(=O)COc2ccccc2)cn1 40539131 HRPMDNCNPGTKEL-UHFFFAOYSA-N 313.401 2.623 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)C3CCCCC3)cc12 28025632 MFQYORRMIOYLQL-UHFFFAOYSA-N 301.346 2.868 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)CCO1 30848464 NICNIXDLIGBYCG-LLVKDONJSA-N 304.321 2.732 0 40 DFAB Cc1nc(C)c(CCC(=O)O[C@@H](C)c2ccccc2)c(=O)[nH]1 32841364 PUCFQPZOCQMDBJ-LBPRGKRZSA-N 300.358 2.624 0 40 DFAB C[C@H]1CN(C2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)C[C@@H](C)O1 102611489 ACUAONISRNKJAD-ADHGMGHFSA-N 304.478 2.772 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 41381242 DUDIHYWBEVVYJF-YOEHRIQHSA-N 314.429 2.975 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccc(C)o2)nc1C 33168169 JHJPFLQDFFUTOR-UHFFFAOYSA-N 322.386 2.701 0 40 DFAB Cc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@@H]2C)cc1 2873959 TWUHJIAGJSKONL-UKRRQHHQSA-N 303.406 2.954 0 40 DFAB COc1ccc2[nH]c(=O)c(CN(C(C)=O)C3CCCC3)cc2c1 412569 ZSUKIAVDQNDWPX-UHFFFAOYSA-N 314.385 2.828 0 40 DFAB O=S(=O)(N(CC1CC1)C1CC1)N1CCC[C@@H]1c1ccco1 78880806 RXQMCSNFILDKGI-CQSZACIVSA-N 310.419 2.536 0 40 DFAB CC[C@H](C(=O)Nc1ccn(Cc2ccccc2)n1)N(CC)CC 78822437 SWHTTZGCKOCHRU-MRXNPFEDSA-N 314.433 2.990 0 40 DFAB O=C(c1ccco1)N1CCC(NCc2ccc(F)cc2F)CC1 42206519 GSQFHAZHTXQILK-UHFFFAOYSA-N 320.339 2.952 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc2ccccc2s1 3893780 QABHXWMGVKPZJC-PSJXJDHFSA-N 316.382 2.982 0 40 DFAB COc1ccc(OC)c(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1 6260044 DQNDPXHGJXRWRN-JTQLQIEISA-N 324.377 2.556 0 40 DFAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CNCc3ccccn3)[C@H]1C2 6822594 VJMNNNJDUNTRJC-KBAYOESNSA-N 316.445 2.541 0 40 DFAB CC(=O)c1ccc(NC(=O)NCc2noc(C)n2)cc1Cl 97084173 FRWSTQQRKDVHGZ-UHFFFAOYSA-N 308.725 2.556 0 40 DFAB C#CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1 7603768 BOQYLVFGPDKIRG-LCYFTJDESA-N 316.338 2.608 0 40 DFAB Cc1cc(NC(=O)CNc2ccccc2OC(F)(F)F)no1 12557635 KKVAGOLSASGQAZ-UHFFFAOYSA-N 315.251 2.932 0 40 DFAB O=C(CNC(=O)Nc1ccc2c3c(cccc13)CC2)NCC1CC1 97047246 HQMRXOFQBMFWFR-UHFFFAOYSA-N 323.396 2.586 0 40 DFAB O=C(O)CCc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1 97018955 PQQHYBKSRRZNCL-UHFFFAOYSA-N 309.325 2.832 0 40 DFAB O=C(c1ccccc1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 97032767 OMHKNNFBIVWGEJ-SWLSCSKDSA-N 301.342 2.714 0 40 DFAB CSc1nc2ncc(C(=O)Nc3ccc(C)cc3)c(C)n2n1 10338706 NMKGURHPQJEFKD-UHFFFAOYSA-N 313.386 2.715 0 40 DFAB O=C1C[C@@H](Nc2ccccc2)C(=O)N1CCc1ccccc1F 55117930 QRZGRKPAUJWJOB-MRXNPFEDSA-N 312.344 2.608 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)N(C)Cc2ccsc2)cc1 8501796 RGSVGULSQZLTDN-UHFFFAOYSA-N 318.398 2.744 0 40 DFAB COc1ccc([C@H](O)CNC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC 104242953 ZUEUKXSAOCIISH-DARAHFNDSA-N 303.402 2.539 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)NCCCc2ccccc2)c1C 8988290 GLPUKLIHWUSSGK-UHFFFAOYSA-N 314.385 2.781 0 40 DFAB CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1 9912400 XMEYILSCFCNMEU-UHFFFAOYSA-N 302.305 2.802 0 40 DFAB CC(C)(C)OC(=O)C1=CCN(C(=O)OCc2ccccc2)C1 72233685 KBOXDSJKWMTUKL-UHFFFAOYSA-N 303.358 2.907 0 40 DFAB CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCCCCC1 57710735 QTKSZRFHSFUIHK-HNNXBMFYSA-N 314.437 2.789 0 40 DFAB Cc1cccc2c1OCC[C@H]2NC(=O)c1cccnc1S 58280060 SYQSARDZFACWLE-CYBMUJFWSA-N 300.383 2.932 0 40 DFAB CC(=O)Nc1ccc(Cl)cc1NCC(=O)Nc1cc(C)no1 58201200 OGWNAAXDJOTIPN-UHFFFAOYSA-N 322.752 2.645 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2cnn(Cc3cccnc3)c2)c1 58230205 WEUYSFPTRUYGKU-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1c(C)noc1C 58283181 RKYDTLPEPKPHPS-UHFFFAOYSA-N 312.329 2.738 0 40 DFAB O=C(NCCc1ccsc1)NCc1ccc2c(c1)OCO2 44914717 RNXMGZJNEZXWTF-UHFFFAOYSA-N 304.371 2.519 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCCc1cc(F)cc(F)c1 58369273 KCOBJEFUABTTNA-UHFFFAOYSA-N 321.352 2.575 0 40 DFAB Cc1nn(C)c(Cl)c1Cn1c([C@H](C)O)nc2ccccc21 58357821 CLQLERLQESKXGT-JTQLQIEISA-N 304.781 2.833 0 40 DFAB COc1ccc([C@@H]2OCCN2C2C[C@@H]3CC[C@H](C2)N3C)cc1 100925504 BAFOXNWKCVEVEK-ONYGOOLBSA-N 302.418 2.651 0 40 DFAB O=C(NC1CCCCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 28273921 ROCCZWAGNLMKTQ-AWEZNQCLSA-N 318.417 2.857 0 40 DFAB Cc1cccc(OCC(=O)NC[C@@H](C)Cn2nc(C)cc2C)c1 48354697 XLFOTXNHRXMERE-CQSZACIVSA-N 315.417 2.640 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)C1C(=O)CCCC1=O 103619363 HGEZBWPTQQKPLW-UHFFFAOYSA-N 324.380 2.669 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cn1 29085443 AYVCZXYAIRMNBB-MRXNPFEDSA-N 324.359 2.782 0 40 DFAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)O 11767298 WKVXCLLKAMNTPQ-JTQLQIEISA-N 310.309 2.698 0 40 DFAB O=C(CCNC(=O)c1ccccc1Cl)NCc1ccccc1 2632208 MWMKPIVTCHZLEZ-UHFFFAOYSA-N 316.788 2.776 0 40 DFAB CCCCOc1ccccc1/C=C/C(=O)NCCCC(=O)O 62714948 NNXZNNPFMOSUPV-ZHACJKMWSA-N 305.374 2.860 0 40 DFAB CC(=O)N1CC[C@@H](NCc2cc3cc(F)ccc3o2)[C@H](C)C1 84714786 BHMGMPFKCNBWCI-BDJLRTHQSA-N 304.365 2.918 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1nnc(C2CCCCC2)s1 71287009 UYAQTIYVNLOTHE-VHSXEESVSA-N 323.418 2.881 0 40 DFAB C[C@H](NC(=O)C(=O)NC[C@H](C)c1ccccc1)c1ccccc1 408707098 JSFKNUUUMRNOIQ-GJZGRUSLSA-N 310.397 2.784 0 40 DFAB CCOc1ccccc1OCC(=O)NCCc1ccc(F)cc1 6305451 PRFXXLNAUYCKOG-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB CC[C@@H]1CCC[C@@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 96010951 PEWJTLIUHFMBBJ-HZPDHXFCSA-N 324.465 2.794 0 40 DFAB Cc1nn(CC(=O)Nc2cc(C(C)(C)C)nn2C)c(C)c1Cl 65536115 JNYAOTIVRXDIDF-UHFFFAOYSA-N 323.828 2.823 0 40 DFAB C[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)CCS1 65611810 GELUCMKPRDZRIW-JTQLQIEISA-N 308.428 2.910 0 40 DFAB C[C@@H](NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)C1CC1 14201505 QEMLTCKEDAKMOC-MRVPVSSYSA-N 308.432 2.584 0 40 DFAB CNc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 4741832 XYVGVZVBQJOFIU-HNNXBMFYSA-N 311.385 2.826 0 40 DFAB Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 20889034 FHYZHOHAYGDZHR-UHFFFAOYSA-N 308.337 2.837 0 40 DFAB C[C@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC1 97165520 IGAPKLOPPINSRO-QWHCGFSZSA-N 310.438 2.938 0 40 DFAB OC1CCC(Nc2nc(-c3ccncc3)nc3c2CCC3)CC1 66796324 RDTLOROGAXUHEU-UHFFFAOYSA-N 310.401 2.743 0 40 DFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccccc1 7608881 LMNINXZUEOTIEB-UHFFFAOYSA-N 321.380 2.562 0 40 DFAB CS[C@H]1CC[C@@H](NCc2cn(C)nc2-c2ccncc2)C1 96494372 OTBBGKBXDCXDGK-CABCVRRESA-N 302.447 2.856 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccnc1N(C)C 96417633 GQWZTSMLNOYQLV-UONOGXRCSA-N 322.478 2.621 0 40 DFAB Cc1nc(CN2CCC[C@H](C(=O)NC3CCCCC3)C2)oc1C 68343883 FTBUJGNLWGNOSK-HNNXBMFYSA-N 319.449 2.952 0 40 DFAB CC(=O)Nc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)cc1 96494211 SCGDIIXAFMVVJW-QGZVFWFLSA-N 318.417 2.810 0 40 DFAB CCN(CC)CC(=O)N(C)c1cc(-c2ccccc2C)[nH]n1 96440708 NIFBUJWBNZNYEQ-UHFFFAOYSA-N 300.406 2.690 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc1 7811762 ZBVNJMBHNRCRNL-STQMWFEESA-N 303.406 2.561 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C)no2)c1C 7855662 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Cc1cncc(C(=O)O[C@H](C)c2ccc(-n3cncn3)cc2)c1 95426582 NBCQVMNKJWTYAM-CYBMUJFWSA-N 308.341 2.889 0 40 DFAB CC(C)CN(CC(=O)Nc1cccc2nsnc12)C(C)C 19079986 WIXWOPZAVHWECJ-UHFFFAOYSA-N 306.435 2.996 0 40 DFAB CSC[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 84077328 WGZKXOMTGLOFDY-JTQLQIEISA-N 321.414 2.647 0 40 DFAB Cn1cc(C[C@@H]2CCN(C(=O)NCCCC(C)(C)C)C2)cn1 84169794 JFSYAVXLINMTCM-AWEZNQCLSA-N 306.454 2.820 0 40 DFAB CCN(C)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 88635549 JTAIMMPPBVCLPF-AWEZNQCLSA-N 306.406 2.572 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCCN(c2ccccc2)CC1 95953782 OUZIWKIFKOOKAH-UHFFFAOYSA-N 313.401 2.573 0 40 DFAB CCOc1ccc(NCCN2C(=O)c3ccccc3C2=O)cc1 28047795 XBVDSYNFDUYKSH-UHFFFAOYSA-N 310.353 2.793 0 40 DFAB Cc1ccccc1[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 89689198 HIOVZDGHEZMWHM-GOEBONIOSA-N 320.433 2.627 0 40 DFAB Cc1ccccc1CCC(=O)NC[C@H](C(=O)O)c1ccccc1 89689321 CGUSNVXOSAYRHE-KRWDZBQOSA-N 311.381 2.912 0 40 DFAB O=C(C1CC1)N1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 306123391 ALYHMPQQDRBCBU-QGZVFWFLSA-N 313.426 2.895 0 40 DFAB Cc1cc(N2CCC[C@@H](OC(=O)c3ccco3)C2)nc(C)n1 66731096 NUZBYVGEYVICKB-CYBMUJFWSA-N 301.346 2.512 0 40 DFAB CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(CO)n1 549713231 NQTWQYCAAALCBV-MRXNPFEDSA-N 316.426 2.761 0 40 DFAB Cc1ccccc1OCCN(C)Cc1cc(=O)n2ccccc2n1 32806027 CDMPQRXZIDULSE-UHFFFAOYSA-N 323.396 2.514 0 40 DFAB COc1cc2c(c(OC)c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 4726466 MWHNXEIHKZWYAX-GFCCVEGCSA-N 316.309 2.822 0 40 DFAB biogenic,in-vitro O=C(NCc1cccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 38849950 NSCMHKNNSXWLIO-GOSISDBHSA-N 309.413 2.610 0 40 DFAB Cc1ccc2cc(C(=O)N3CCC(c4nncn4C)CC3)[nH]c2c1 30855923 NVNOIIZYPHCXKT-UHFFFAOYSA-N 323.400 2.625 0 40 DFAB OCCN1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72382181 VYDHXDBZGZKOAZ-GOSISDBHSA-N 300.377 2.941 0 40 DFAB O=C(NCc1cccs1)c1[nH]nc2c1COc1ccccc1-2 71114958 HIJLGWNCMGXMEU-UHFFFAOYSA-N 311.366 2.961 0 40 DFAB Cc1nccc(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 79032172 FIQFFQFJEOVRRX-UHFFFAOYSA-N 319.792 2.912 0 40 DFAB COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cn1 225889136 RQJJKRFTGJXTBR-DYVFJYSZSA-N 322.405 2.641 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)/C=C/c3cccs3)C2)nn1 225422038 NALRLMOFQAONEK-IYNGYCSASA-N 315.398 2.540 0 40 DFAB FCCn1ncnc1CSc1nccn1-c1cccc(F)c1 225637955 UFDVRTPIDVDRIY-UHFFFAOYSA-N 321.356 2.865 0 40 DFAB CC(C)[C@@H]1N(C(=O)Nc2ncn(C(C)(C)C)n2)CC12CCCC2 575603369 BVDNSZRXDYYCHJ-ZDUSSCGKSA-N 319.453 3.466 0 40 DFAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccncc2)c1 225333452 BCNDVEKORCLHBZ-UHFFFAOYSA-N 315.398 2.663 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCOC1 195577944 WHHCKCMZLKCSJZ-MRXNPFEDSA-N 305.418 2.867 0 40 DFAB C[C@@H]1CCCN(CCCNC(=O)CCc2ccccc2F)C1 46960074 DJLNEFDVRSBXPF-OAHLLOKOSA-N 306.425 2.997 0 40 DFAB C[C@H](Sc1nnc(C2CC2)s1)C(=O)NCC(F)(F)F 80618055 SWNDVMUAVCXUGP-YFKPBYRVSA-N 311.354 2.575 0 40 DFAB COc1ccc(C(=O)NCCOc2ccccc2OC)cc1C 225140793 NMILIYSDZJKTJQ-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB Cn1ncc(C(=O)Nc2cnc3ccccn23)c1-c1ccccc1 1586821133 VBQAUFBOYNVOOU-UHFFFAOYSA-N 317.352 2.987 0 40 DFAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc2cn[nH]c12 195551294 YMUGUUYKUGCOPF-HNNXBMFYSA-N 323.352 2.817 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CN(CC2CC2)CC12CCOCC2 96052266 MZWQBIIXNRVPCK-QGZVFWFLSA-N 314.429 2.764 0 40 DFAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)CC[C@@H]1CCCO1 96472387 ZCZXIUAFZVFZJQ-NEPJUHHUSA-N 315.460 2.566 0 40 DFAB COc1ccccc1-c1nc2nccc(-c3ccncc3)n2n1 96345050 KEGXBBPQMRSRST-UHFFFAOYSA-N 303.325 2.862 0 40 DFAB Cc1occc1CNC(=O)NCCOc1ncccc1Cl 96473407 SFQKMUHVZFEGHS-UHFFFAOYSA-N 309.753 2.515 0 40 DFAB O=C(NC[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2)c1 96421990 OZXFCBBHJVMUBQ-HNNXBMFYSA-N 300.362 2.563 0 40 DFAB CN1C(=O)C[C@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 96181141 REPZYLPHNDMQMH-WFASDCNBSA-N 306.431 2.716 0 40 DFAB C[C@H](c1ccccn1)N1CCN(C(=O)N[C@H](C)C(C)(C)C)CC1 96503167 NNZHUEWPGIYAHC-HUUCEWRRSA-N 318.465 2.904 0 40 DFAB Cc1nnsc1CNC(=O)Nc1nc2c(s1)CCC2(C)C 333546664 OQLGUEHCORZSGX-UHFFFAOYSA-N 323.447 2.849 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1CN1CCC(O)CC1 96487357 WTNDGVIHOGSUNE-OAHLLOKOSA-N 314.429 2.938 0 40 DFAB Cc1cccc(NS(=O)(=O)c2c(C)nn(C(C)(C)C)c2C)n1 96408025 PXFZAXKJZWSFGQ-UHFFFAOYSA-N 322.434 2.759 0 40 DFAB CC[C@H]1c2cccn2CCN1C(=O)c1cccc(-n2ccnc2)n1 96501431 VQPGKJABJLQYTD-HNNXBMFYSA-N 321.384 2.676 0 40 DFAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2ccccc2c1 96041930 RMBHTUIXJGXZMQ-OKZBNKHCSA-N 311.381 2.858 0 40 DFAB Cc1cccc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@H](C)O)c1C 248694553 CMZDBZZIZUCRKP-BPUTZDHNSA-N 320.433 2.546 0 40 DFAB COc1ccccc1CN1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 248131367 KOMMEIFBTHDRAY-WDSOQIARSA-N 317.429 2.854 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 253617131 JVEWXTLFKFWQPU-IMPOSHSKSA-N 306.446 2.930 0 40 DFAB CNc1cc([C@@H]2CCCN2Cc2cccnc2NC)nc(C)n1 257341399 ZKDUZDNHNLOLOP-HNNXBMFYSA-N 312.421 2.601 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3cccnc3)CC[C@@]2(C)C1 257265807 MAKKLBGUCQRQOO-NUJGCVRESA-N 302.418 2.820 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H](c3ccncn3)C2)s1 257291648 QHYZYJPVQKLBST-ZDUSSCGKSA-N 301.415 2.795 0 40 DFAB C=CC(=O)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 585291076 JILMGVCRXIMMDM-AWEZNQCLSA-N 323.400 2.582 0 40 DFAB COc1ccc(OC)c(CNCCc2cn3ccccc3n2)c1 30661432 IBWYGMNUTZDDDM-UHFFFAOYSA-N 311.385 2.684 0 40 DFAB COCCn1c(SCC(=O)Nc2ccccc2)nc(C)c1C 32893905 RDWRVUASFKMYCQ-UHFFFAOYSA-N 319.430 2.877 0 40 DFAB COc1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1OC 44976568 XLKYJXUXOONUQM-MRVPVSSYSA-N 308.769 2.903 0 40 DFAB Cc1sc2ncc(C(=O)N3CCC[C@@H](C)[C@@H]3C)c(=O)n2c1C 97034038 UDYWRDACPBYGHI-ZJUUUORDSA-N 319.430 2.633 0 40 DFAB O=C(CCc1csc(NC(=O)c2cccs2)n1)NC1CC1 11834967 OEZVDYFLGDGEET-UHFFFAOYSA-N 321.427 2.668 0 40 DFAB O=C1NC2(CCN(Cc3cccs3)CC2)Nc2ccccc21 13566600 HVQYHAJRZAAPCG-UHFFFAOYSA-N 313.426 2.896 0 40 DFAB CCc1nnc(SCC(=O)Nc2ccccc2C)n1CC 13992498 SPBJYGKFUFGVED-UHFFFAOYSA-N 304.419 2.900 0 40 DFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccccc2)c1 14233909 QYLSTZMPXPYHTC-LBPRGKRZSA-N 321.398 2.743 0 40 DFAB O=C(NC(=S)NNc1ccccc1)c1cccc(Cl)c1 14257569 MRJZVKFUCCEGKM-UHFFFAOYSA-N 305.790 2.971 0 40 DFAB CCc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 8477334 GEDAHTLZUAVKFJ-RVDMUPIBSA-N 312.369 2.653 0 40 DFAB COc1ccc(CN(Cn2ncn(C)c2=S)C2CC2)cc1 14213638 FLIHONZAKMSMCR-UHFFFAOYSA-N 304.419 2.582 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CCc2nc3ncccc3cc2C1 1889862482 BESAZGVVLHJKMO-UHFFFAOYSA-N 321.355 2.896 0 40 DFAB O=C1COc2cc(C(=O)NCc3cccc(Cl)c3)ccc2N1 22595352 LZYRLXJUYMCDAC-UHFFFAOYSA-N 316.744 2.601 0 40 DFAB CO[C@H]1CCCN(C2CCN(C(=O)Nc3cccs3)CC2)C1 1565523664 WWSIJYPPGOBIFU-AWEZNQCLSA-N 323.462 2.855 0 40 DFAB CN1C(=O)CCC[C@@]12CCCN(Cc1ccc(F)c(F)c1)C2 2055814207 OZNLTMKUZXEMNE-KRWDZBQOSA-N 308.372 2.942 0 40 DFAB CO[C@@H](CNC(=O)C(C)(C)OC(C)=O)c1ccc(Cl)s1 225704905 GSOAGNYVRMBOGC-VIFPVBQESA-N 319.810 2.547 0 40 DFAB CC(C)(C)OC(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2113474292 GNSWZLOOMVQNKV-UHFFFAOYSA-N 312.410 2.720 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 72543603 CQESQVHOYSGMKL-INIZCTEOSA-N 314.389 2.574 0 40 DFAB C[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)n1cnc2ccccc21 30600416 VUUPGUCEKHGCDN-SNVBAGLBSA-N 322.324 2.671 0 40 DFAB CN(C(=O)Cc1csc(N2CCCC2=O)n1)C1CCCCC1 40464799 NBQLWEWZJLNCCQ-UHFFFAOYSA-N 321.446 2.604 0 40 DFAB NC(=O)c1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1 31627350 XBKOHULFTUXSJR-UHFFFAOYSA-N 309.365 2.951 0 40 DFAB CN(C(=O)COC(=O)c1ccc(F)cc1)c1ccc(F)cc1 51356431 UZKPBNLZHHKFHX-UHFFFAOYSA-N 305.280 2.785 0 40 DFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)Cc1ccoc1C 102338253 XOJSIQOHKIVVPR-KRWDZBQOSA-N 312.369 2.524 0 40 DFAB C[C@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1ccco1 32873583 MBENKFSHRXLXQH-VIFPVBQESA-N 318.358 2.627 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccccc1 52974655 ULJHGWOXYYRILH-GFCCVEGCSA-N 306.749 2.702 0 40 DFAB Cc1nc2ccccc2cc1C(=O)OCC(=O)NCc1ccco1 8937195 UBWWPTXJJUGTKT-UHFFFAOYSA-N 324.336 2.609 0 40 DFAB COc1cccc(CN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)c1 78894396 HQOCVLCPBBTTCF-OAHLLOKOSA-N 316.405 2.510 0 40 DFAB CCC(CC)NC(=O)COC(=O)c1ccc2ccccc2n1 3575619 FDYGYJJZXRHIDM-UHFFFAOYSA-N 300.358 2.696 0 40 DFAB COCCn1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cn1 42803532 JUHIGSAGQDHRAT-JTQLQIEISA-N 324.331 2.690 0 40 DFAB CN(Cc1ccc(Br)o1)C(=O)Nc1nncs1 43128921 QXXYDDABDAFLRW-UHFFFAOYSA-N 317.168 2.558 0 40 DFAB CCOc1ccc(NC(=O)N2CC[C@@H]3CN(C)CC[C@H]32)cc1 95996463 WUNNFHBTJSPBOI-CZUORRHYSA-N 303.406 2.643 0 40 DFAB Cc1cc(C(=O)NCCN2CCCC[C@H]2C)nn1C(C)(C)C 55376840 ITIDPAZYAMIZGS-CYBMUJFWSA-N 306.454 2.551 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1cccs1 25081817 AGFQAYRFLZINLM-CYBMUJFWSA-N 319.382 2.791 0 40 DFAB O=C(NC(=S)N[C@@H]1CCCc2ccccc21)c1ccco1 3225917 NCIXJFUPUFDFQL-CYBMUJFWSA-N 300.383 2.962 0 40 DFAB COc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 3216473 RPZXRJZDEGMCLB-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB Cc1nc(C2(NC(=O)Cc3cccs3)CCCCC2)no1 26491344 LYEVHCXLIKDHLB-UHFFFAOYSA-N 305.403 2.958 0 40 DFAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccsc1 108345653 BAMJMBDSMKZZRW-IHRRRGAJSA-N 307.415 2.925 0 40 DFAB Cc1cccc(OCCN(C)CC(=O)Nc2ccc(O)cc2)c1 27374293 CVNDTQHSUBGOIL-UHFFFAOYSA-N 314.385 2.650 0 40 DFAB O[C@@H](CNCc1ccc(Cl)c(Cl)c1)CN1CCCCC1 58009029 MRHMZDAUVSYXEW-ZDUSSCGKSA-N 317.260 2.930 0 40 DFAB Cc1nnc(NC(=O)CCc2cnn(-c3ccccc3)c2)s1 44874524 QLMAEUOVQXSAIT-UHFFFAOYSA-N 313.386 2.604 0 40 DFAB CCC[C@@H](C)[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 92923138 RJAXDGJZRFKRKA-OLZOCXBDSA-N 300.410 2.650 0 40 DFAB CN(C)c1ncccc1CNC(=O)NCc1ccc(Cl)s1 44954733 NZLSSDRQNKRVHK-UHFFFAOYSA-N 324.837 2.862 0 40 DFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@H]1CCO 110583091 IQRIFYSOJQOEMB-PBHICJAKSA-N 322.424 2.582 0 40 DFAB CN(C)c1cc(CNC(=O)c2cc(-c3ccccc3)no2)ccn1 58342218 CTOAOCLTTGQUIL-UHFFFAOYSA-N 322.368 2.733 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCSCC1 58411684 UKWVOSRJKSEZFV-JQWIXIFHSA-N 322.405 2.609 0 40 DFAB CC(C)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3387122 GCWNBDYKRDGSBR-UHFFFAOYSA-N 320.389 2.591 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C)n3C)c12 36643858 ZKCMZOKEZPLFJT-UHFFFAOYSA-N 324.384 2.986 0 40 DFAB O=C1COc2cc(C(=O)N[C@H](c3ccccc3)C3CC3)ccc2N1 12821300 DFJWUEBDAFLLPE-GOSISDBHSA-N 322.364 2.899 0 40 DFAB Cc1ccc(-c2nnn(Cc3nc(-c4ccccc4)no3)n2)cc1 12992967 UNRMFAJALABOSL-UHFFFAOYSA-N 318.340 2.747 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 62912772 TYQRWFJYESHERB-CYBMUJFWSA-N 301.264 2.642 0 40 DFAB O=C(OCc1nnsc1Cl)c1cc(-c2ccccc2)[nH]n1 24209282 WSQYWYYPUKRQDM-UHFFFAOYSA-N 320.761 2.939 0 40 DFAB N[C@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)O 39712939 NQSSWZMUJYBVRB-MRVPVSSYSA-N 301.186 2.679 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccco2)[C@@H]1C 5113205 ISHXVBNQBLMUMA-FDQQZMDJSA-N 305.374 2.777 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@H](C)C1CC1)c1ccc(Cl)cc1 39985021 UNPBZWYZFLIMSU-MEBBXXQBSA-N 308.809 2.822 0 40 DFAB O=C(Nc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9338744 SIUMCUBKBPFZSV-MRXNPFEDSA-N 307.353 2.860 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 65591574 QTHFJJLGDOQBET-SWLSCSKDSA-N 319.424 2.951 0 40 DFAB Cc1ccc2c(CC(=O)N3CCc4cncnc4C3)coc2c1 95396031 NNDYDUXUPJAAOK-UHFFFAOYSA-N 307.353 2.659 0 40 DFAB O=c1c2ccccc2nnn1CCOc1cccc(Cl)c1 9483924 JVWBTQZVIAMUCD-UHFFFAOYSA-N 301.733 2.524 0 40 DFAB O=S1(=O)CC(Cl)=C(Sc2nc3ccccc3[nH]2)C1 5981495 NJDRKIPNRNRBOR-UHFFFAOYSA-N 300.792 2.534 0 40 DFAB Cc1sc2nc(SCCO)n(CC(C)C)c(=O)c2c1C 7038142 ILTCLPUXDCQFMJ-UHFFFAOYSA-N 312.460 2.815 0 40 DFAB O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl 7166407 BJFUTKFMYGTTTC-UHFFFAOYSA-N 315.200 2.736 0 40 DFAB Cn1c(-c2ccccc2Cl)nn(CN2CCOCC2)c1=S 19818030 FSASTHPUSQXAPH-UHFFFAOYSA-N 324.837 2.561 0 40 DFAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)noc1C 7402565 DWAMSSXXEONXKF-UHFFFAOYSA-N 316.766 2.754 0 40 DFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(Cl)s1 8075898 YMPODESPBGWGJO-UHFFFAOYSA-N 311.790 2.904 0 40 DFAB Cc1noc(C)c1N(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 81601305 TXZOZSRPQBBPOS-UHFFFAOYSA-N 324.340 2.911 0 40 DFAB COc1ccc(C2(C(=O)NCc3ccnn3C)CCCC2)cc1 70017851 UBJRTAFSXLJDPR-UHFFFAOYSA-N 313.401 2.557 0 40 DFAB O=C(NCCCNc1ccccc1)c1c[nH]c2ccccc2c1=O 71890756 DNLRBCHAPKAGIK-UHFFFAOYSA-N 321.380 2.760 0 40 DFAB CCc1ncc(C(=O)N2CCC[C@H]2[C@H]2CCCN2CC)s1 69665076 UTIOZQJQHOZKGD-OLZOCXBDSA-N 307.463 2.794 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)cn1C 69620983 DRUNDSRWHCZDRO-KBPBESRZSA-N 309.841 2.767 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2cnc(C)s2)c(F)c1 69704214 PQXLJCSNWSQQLR-UHFFFAOYSA-N 314.407 2.720 0 40 DFAB Cc1noc([C@H](C)NC(=O)c2ccccc2N2CCCCC2)n1 69844755 IYBZPEQNRUDZEW-LBPRGKRZSA-N 314.389 2.859 0 40 DFAB COc1cccc2sc(NC(=O)COc3cc(C)on3)nc12 8776525 JZJBEAXSKYQVRB-UHFFFAOYSA-N 319.342 2.619 0 40 DFAB CC(C)NC(=O)NC(=O)CNc1ccccc1SC(F)F 8780471 SKGCVNBMEKNBNV-UHFFFAOYSA-N 317.361 2.647 0 40 DFAB CCC(=O)N[C@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 95442134 KEHGZAUDLIIZIP-KRWDZBQOSA-N 312.369 2.907 0 40 DFAB COc1cccc(-c2noc(NCC3([C@H](O)C(C)C)CC3)n2)c1 95463018 ICJJRUCQBRUPKN-CQSZACIVSA-N 317.389 2.954 0 40 DFAB C[C@H](CNC(=O)N1CCOC2(CCCC2)C1)c1ccncc1 95422000 IOBHXLUYTYEKDN-CQSZACIVSA-N 303.406 2.540 0 40 DFAB C[C@@H]1CNCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595815 YCENPBIBAVEQEC-PELKAZGASA-N 304.287 2.572 0 40 DFAB CCSCc1ccnc(NC(=O)c2c[nH]c(C)cc2=O)c1 95446881 YPXCKZYWNNVOEK-UHFFFAOYSA-N 303.387 2.584 0 40 DFAB CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 95413252 ZQMLOSIPGVRJOR-OFQRWUPVSA-N 317.433 2.536 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(=O)[nH]1 72301265 UQYIKINPHOSTSC-UONOGXRCSA-N 314.360 2.551 0 40 DFAB O=c1[nH]c(NCc2ccc(N3CCCC3)nc2)nc2ccccc12 97995007 QZJZUVCVHZSVTP-UHFFFAOYSA-N 321.384 2.530 0 40 DFAB COc1ccc2cc(CNC(=O)c3ccncc3O)ccc2c1 75108443 QNPUJXAOZUZCGR-UHFFFAOYSA-N 308.337 2.879 0 40 DFAB Cc1ccc(N(C)C(C)C)c(C(=O)N(C)Cc2cnn(C)c2)c1 76022561 HZWFNZHXALUNSS-UHFFFAOYSA-N 314.433 2.845 0 40 DFAB O=C(NCc1ncc(-c2cccs2)[nH]1)[C@@H]1CC12CCOCC2 546014884 BEJTZEIGHQATIO-NSHDSACASA-N 317.414 2.571 0 40 DFAB O=S1(=O)c2ccccc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306141121 VLSWPVMNBIPRDR-NVXWUHKLSA-N 317.385 2.581 0 40 DFAB O=C(NCc1sccc1Br)N1CCSCC1 60591651 RILFSRNGHAPAIC-UHFFFAOYSA-N 321.265 2.769 0 40 DFAB CC[C@H](Oc1ccccc1C)C(=O)NCCCn1ccnc1 30851760 UTIXOQMQFAWUGV-HNNXBMFYSA-N 301.390 2.555 0 40 DFAB C[C@@H](CNC(=O)Cc1cccs1)N1CCc2ccccc21 33055216 QYMNPJRUZDBQTB-ZDUSSCGKSA-N 300.427 2.858 0 40 DFAB NC(=O)c1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 71761002 PGTYSIPLRJSJFI-UHFFFAOYSA-N 307.325 2.873 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)c1 72368531 GMXQGVDLHOYQIN-OAHLLOKOSA-N 313.401 2.660 0 40 DFAB Cc1cc(Br)cc(C(=O)N[C@@H](C)c2cnn(C)c2)c1 128174616 BTKMZBHXYUEQBX-JTQLQIEISA-N 322.206 2.982 0 40 DFAB CCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 35598037 MGGKVZZVWIRYCI-UHFFFAOYSA-N 324.428 2.752 0 40 DFAB O=C(O)c1cc(OCc2cccnc2)cc(Br)c1O 216846530 RSKSBLAHORTKDU-UHFFFAOYSA-N 324.130 2.827 0 40 DFAB CC(C)c1ccc(OCCOC[C@H](O)CNC(C)(C)C)cc1 40373227 PLIXCEHQURJZGT-MRXNPFEDSA-N 309.450 2.954 0 40 DFAB Cc1cc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)c(C)s1 76713647 BABANMRKCRETIT-NSHDSACASA-N 319.430 2.566 0 40 DFAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccn1 44848805 QKCSXZRSKMDWAH-INIZCTEOSA-N 300.358 2.564 0 40 DFAB C[C@@H](Cc1ccc(NC(=O)[C@@H](C)C2CCOCC2)cc1)C(=O)O 192917871 WUTRTIGYEIILCG-STQMWFEESA-N 319.401 2.951 0 40 DFAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN(C)C)c1 45584902 CHDBXPJIXMCZTB-HNNXBMFYSA-N 306.450 2.954 0 40 DFAB COc1ccc(CNc2nc(C)cnc2C)cc1NC(C)=O 195563772 ODWSSJZKPLJDIY-UHFFFAOYSA-N 300.362 2.673 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(F)c1F 88376344 YQVJSNAGQOPEMQ-LLVKDONJSA-N 321.331 2.775 0 40 DFAB Cc1ccncc1C(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 328713442 CADNGPAREMCYTJ-HUUCEWRRSA-N 308.385 2.584 0 40 DFAB O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccon2)CC1 193948557 DKPBXGXFJSNNAL-UHFFFAOYSA-N 317.320 2.941 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN2CCC(N3CCCNC3=O)CC2)o1 93669236 SVBONNCEBBGNIS-BBRMVZONSA-N 317.433 2.783 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1F)Nc1ccc2[nH]ncc2c1 92864333 NLAREQFDJJMSHZ-UHFFFAOYSA-N 323.324 2.783 0 40 DFAB Cc1cccc(CNC[C@H]2COCc3nc4ccccc4n32)n1 96112710 UNFNNZIGHFBZOZ-HNNXBMFYSA-N 308.385 2.601 0 40 DFAB biogenic,in-vitro CC1CCC(O)(CN(C)C2CCN(c3ccccn3)CC2)CC1 96483263 MDFLNCUUGVIMNN-UHFFFAOYSA-N 317.477 2.923 0 40 DFAB Cc1cccc2c1CCN2C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97373914 NBFSVACIEPSJND-OAHLLOKOSA-N 324.380 2.761 0 40 DFAB CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccs2)C1 96455547 UEICVSPOHCMFKA-HGFQGUBDSA-N 314.476 2.627 0 40 DFAB CCn1ncc2c1[C@H](COC)CN(Cc1ccc(F)cc1)C2 96060147 KZNQKOOWLQXMAZ-HNNXBMFYSA-N 303.381 2.788 0 40 DFAB CC(C)C(=O)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 96214549 LWSAUHZTLYSNPI-SFHVURJKSA-N 301.434 2.695 0 40 DFAB c1csc([C@@H]2CN(c3ncnc4ccsc34)CCO2)n1 97203841 VDCOZCCLKQMULF-JTQLQIEISA-N 304.400 2.726 0 40 DFAB CC(C)c1nnc(NS(=O)(=O)CCc2ccccc2)s1 96462651 FFDNJGTZLOTUNE-UHFFFAOYSA-N 311.432 2.646 0 40 DFAB COc1cc([C@@H](C)NCCc2nnc3ccccn23)ccc1F 96489355 JYFXJJYVBGLIGS-GFCCVEGCSA-N 314.364 2.770 0 40 DFAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2COCCO2)o1 245343998 WXCAZJRPFWYPFM-DUVNUKRYSA-N 307.390 2.557 0 40 DFAB CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1ccncc1)C2 252492772 MVZKFLPMSQVKRV-KBXCAEBGSA-N 316.401 2.666 0 40 DFAB COc1ccc(CN2CC[C@@H](c3nc(C)cn3C)C2)c(F)c1 257234388 GTHRCFLBYGRPGT-CQSZACIVSA-N 303.381 2.866 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cc(-c2ccnn2C(C)C)nc(C)n1 257304441 SLQTXWNRQNYBAH-MRXNPFEDSA-N 313.405 2.913 0 40 DFAB O=C(COc1ccccc1)N1CCC(Cc2ccncc2)CC1 257229725 FZGCHUFNXUJWRF-UHFFFAOYSA-N 310.397 2.942 0 40 DFAB O=C(C1CCCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257271845 MZZWSGIIOOVFKY-HYVNUMGLSA-N 300.402 2.888 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 257302701 SDYOAEQSQURCLE-OAHLLOKOSA-N 306.369 2.896 0 40 DFAB Cn1ccnc1-c1cnc(C[C@@H]2CCN(C3CCCC3)C2)cn1 257254189 KCCUKFRMYDIXPR-AWEZNQCLSA-N 311.433 2.684 0 40 DFAB COCCN(Cc1ccoc1)S(=O)(=O)Cc1cccc(C)c1 85474403 GVCYYSDIZATNEK-UHFFFAOYSA-N 323.414 2.566 0 40 DFAB COc1c(C)cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)cc1C 263004829 PDWXBTQNPTZINN-CFVMTHIKSA-N 317.385 2.637 0 40 DFAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@H](C)S1=O 390833912 ORJBHSCXVKQMGR-STQMWFEESA-N 303.427 2.628 0 40 DFAB CC1=N[C@H]2CCN(C(=O)c3ccc(N)cc3)c3ccccc3C2=N1 585656255 DBVGQZDHSOALDW-INIZCTEOSA-N 318.380 2.909 0 40 DFAB CC(C)(C)c1ccn(Cc2cccc3c2OC(F)(F)O3)c(=O)n1 664042427 GGSRGMUTJSSRAI-UHFFFAOYSA-N 322.311 2.911 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@H](n2ccnc2C)C1)c1ccccc1 69738515 NBWQLXKYKXYALN-DLBZAZTESA-N 313.401 2.743 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2c2ncnc3ccsc23)n1 69453400 UFULHEHFWYTZAC-LBPRGKRZSA-N 314.418 2.569 0 40 DFAB COCc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 32674445 KJFFLESJYZEHHN-UHFFFAOYSA-N 312.369 2.787 0 40 DFAB Cc1nc(S)sc1CC(=O)N(Cc1cccnc1)C1CC1 73079451 BXWJDBLOFOUDGM-UHFFFAOYSA-N 319.455 2.869 0 40 DFAB C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(F)c(F)c1 101383653 SKIFWDAVKPDXLI-TZMCWYRMSA-N 321.371 2.682 0 40 DFAB O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cccc(Cl)c1 78743573 NETTVQJLFNGSDJ-UHFFFAOYSA-N 301.733 2.622 0 40 DFAB COc1ccccc1[C@H](C)N1CCN(Cc2ccncc2)CC1 95401515 WCNNYBQGUOTWQK-INIZCTEOSA-N 311.429 2.969 0 40 DFAB COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 575441408 NONJHXVASFECAD-DTWKUNHWSA-N 311.300 2.595 0 40 DFAB 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Cc1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCSCC2)s1 72243449 XLIQAFGTRUWSGL-UHFFFAOYSA-N 320.439 2.601 0 40 DFAB CCN(CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391696 RELNPKQLHWOXOA-IRXDYDNUSA-N 320.433 2.538 0 40 DFAB COC(=O)CN(C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222546087 BCEFRRQUXDWSDX-UHFFFAOYSA-N 323.780 2.516 0 40 DFAB CNC(=O)c1cccnc1NCc1cc(-c2ccccc2)on1 195575184 OJVVRIJGOKPMLA-UHFFFAOYSA-N 308.341 2.708 0 40 DFAB Cc1csc([C@H]2COCCN2C(=O)N[C@@H](C)C2CCC2)n1 195571395 AEUWAXOXLZINLF-WCQYABFASA-N 309.435 2.723 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)CCS(C)(=O)=O)c(Cl)c1 192436925 YAGLNIXARAZPJQ-SNVBAGLBSA-N 304.795 2.628 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)N(CC)CC2 96434608 UMDUQDYSJNWTGG-HNNXBMFYSA-N 303.406 2.712 0 40 DFAB O=C(Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 96420580 VHMOWYJHMBFKML-LBPRGKRZSA-N 317.698 2.956 0 40 DFAB O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1ccoc1)C2 96224513 ZAVHULOHDMRTHV-GOSISDBHSA-N 311.385 2.694 0 40 DFAB C[C@@H](CCO)CNC(=O)[C@@H](C)c1ccc(Br)cc1 96487685 MNLHOTQUVHJCKL-QWRGUYRKSA-N 314.223 2.687 0 40 DFAB CC(C)C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)c1ccccn1 96502543 FUSLWCZVOHBRPA-FMKPAKJESA-N 305.422 2.581 0 40 DFAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H](N1CCCC1)CO2 96158641 LPFCAONRULEGJT-INIZCTEOSA-N 319.449 2.511 0 40 DFAB CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437562 RZBNYWOIYNCJEJ-CVEARBPZSA-N 321.490 2.832 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C 96414719 WMGNQAUGQHWFEV-ZIAGYGMSSA-N 308.447 2.635 0 40 DFAB CN1C(=O)CCC[C@]12CCCN(C(=O)CCc1ccccc1)C2 96229713 LJSVRULIAAZKQD-LJQANCHMSA-N 314.429 2.623 0 40 DFAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4sccc4C)C[C@H]3O2)n1 96216987 QSXPKJGIOSGMHA-BFHYXJOUSA-N 319.430 2.580 0 40 DFAB Cn1ccc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)n1 257234681 GUQKQRMKYGDHSH-MRXNPFEDSA-N 324.428 2.593 0 40 DFAB CCn1nc(C)c(CN2CCC[C@@H](c3[nH]ncc3C)C2)c1C 257285492 PHJZCYIJKZXJLQ-OAHLLOKOSA-N 301.438 2.931 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2C)C1 69595662 YOVGHVXHTMLQMP-HNNXBMFYSA-N 302.418 2.764 0 40 DFAB O=C(CCn1ncc2ccccc21)N1CCCC[C@@H]1c1ccn[nH]1 257255030 KFUSDZKDSIYHDE-QGZVFWFLSA-N 323.400 2.903 0 40 DFAB Cc1ccccc1S(=O)(=O)N1c2ccccc2NC(=O)[C@@H]1C 585139649 DPYVVUYPWLVOIH-LBPRGKRZSA-N 316.382 2.531 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 72235243 MDGZOVUUZPESNH-ZDUSSCGKSA-N 320.343 2.650 0 40 DFAB Cc1nnc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 75093553 BJGVJLRIRQFKEY-UHFFFAOYSA-N 321.185 2.800 0 40 DFAB CC(C)c1nc(CNC[C@H]2CCCN2c2cccnn2)cs1 75128924 YGCQFJRYECYNNF-CQSZACIVSA-N 317.462 2.815 0 40 DFAB C[C@@H]1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)O1 78300884 JWIAUSXAYQHTFD-BXUZGUMPSA-N 300.358 2.711 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ccccc1N2 584904576 FDOATMOUTBRUKM-UHFFFAOYSA-N 317.433 2.971 0 40 DFAB Cn1c(N)nnc1SCc1csc(Br)c1 42340541 YNNYWUZBLFBNSG-UHFFFAOYSA-N 305.226 2.514 0 40 DFAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC 72209 IEFDWUZKQGOQSI-KIFNTFBYSA-N 324.764 2.706 0 40 DFAB O=S(=O)(CCC(F)(F)F)NCC1(c2ccsc2)CC1 1888906501 XMDJJFLDNZPFKU-UHFFFAOYSA-N 313.366 2.652 0 40 DFAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@@H](O)[C@H](C)C3)[nH]c12 12146560 LMUPROAQYGBVAM-TZMCWYRMSA-N 300.402 2.936 0 40 DFAB Cc1nn2c(nc(N3CCC(O)CC3)c3ccccc32)c1Cl 14122597 KOIMLPWKIAYMNO-UHFFFAOYSA-N 316.792 2.805 0 40 DFAB COc1ccccc1C(=O)COC(=O)c1ccc(C)c(O)c1 14129680 JTGWYNVVWNANFW-UHFFFAOYSA-N 300.310 2.749 0 40 DFAB CCc1noc(C)c1NC(=O)Nc1nnc(C(F)F)s1 158429731 IYKTZOQOEUNDGK-UHFFFAOYSA-N 303.294 2.979 0 40 DFAB C[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)[C@@H]1COc2ccccc21 164698735 CQTWADFLAYYCTR-NOLJZWGESA-N 320.433 2.647 0 40 DFAB C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1cc2ccccc2o1 23951943 NFLQLFYLLNQZKD-NSHDSACASA-N 302.374 2.772 0 40 DFAB CSCC[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)C(=O)O 4090034 ITSKINKCMFKKBA-NSHDSACASA-N 316.810 2.976 0 40 DFAB biogenic O=C(c1ccccn1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238837127 GZCVNARUVDFOLK-CQSZACIVSA-N 320.352 2.761 0 40 DFAB Nc1nc(Cl)cc(NCc2ccc(OC(F)F)cc2)n1 24056583 DVWPYCPNBSLUQT-UHFFFAOYSA-N 300.696 2.926 0 40 DFAB O=C1NC2(CCCCC2)C(=O)N1CCOc1ccccc1Cl 3505327 YBAMDKMROBSIID-UHFFFAOYSA-N 322.792 2.974 0 40 DFAB Cc1n[nH]c(=S)n(Cc2ccc(Cl)c(Cl)c2)c1=O 4717557 BNMOMDOSYGYLFI-UHFFFAOYSA-N 302.186 2.964 0 40 DFAB Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1 5043239 GDYNAQZTBGOISZ-UHFFFAOYSA-N 322.303 2.706 0 40 DFAB Cc1ccc2nc(C)c(NC(=O)c3ccccc3C)c(=O)n2c1 12180725 MJOHROZLFPFARW-UHFFFAOYSA-N 307.353 2.872 0 40 DFAB O=S(=O)(NCc1ccsc1)c1cccc2cccnc12 38586570 CHQITAGNRVRUAL-UHFFFAOYSA-N 304.396 2.775 0 40 DFAB O=C(NCc1nccnc1-c1ccoc1)OCc1ccccn1 575620301 LUTOASKGUYBEDL-UHFFFAOYSA-N 310.313 2.558 0 40 DFAB COc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cn1 31204290 IARRSVVZTBWALD-UHFFFAOYSA-N 318.377 2.732 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)C1(c3ccc(F)cc3)CC1)C2 101348370 DCYGDMKTGHPJLD-IRXDYDNUSA-N 316.420 2.989 0 40 DFAB O=C(Nc1cccc2ccccc12)c1cnc2n(c1=O)CCS2 211324 DPCIRPBKEHILJS-UHFFFAOYSA-N 323.377 2.755 0 40 DFAB CCCCSCC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 33174755 GKWIUQZTPKRHOD-LLVKDONJSA-N 322.430 2.728 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)on1 53403254 CSWNMMCZRXGRFV-CYBMUJFWSA-N 302.378 2.912 0 40 DFAB COCCCCC(=O)Nc1ccc(Br)c(C)n1 72512320 XVVLXQIUYRLXDG-UHFFFAOYSA-N 301.184 2.908 0 40 DFAB COc1ccc(CNC(=O)c2noc3c2CCCCC3)cc1 426550 UBEISKHWTIDIGN-UHFFFAOYSA-N 300.358 2.882 0 40 DFAB NS(=O)(=O)c1cccnc1Nc1c(Cl)cccc1Cl 481279 CTUDWPLUUVGGGP-UHFFFAOYSA-N 318.185 2.779 0 40 DFAB COC(=O)c1ccc(CNC(=O)/C=C/c2csc(C)n2)cc1 8941210 HPVCSMMFVXIBBJ-BQYQJAHWSA-N 316.382 2.568 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 78669089 LRYUYOFRDMBCGO-FEYNUYTQSA-N 311.491 2.866 0 40 DFAB COCCCCNC(=O)c1c(F)cccc1Br 79017880 FOLGNCLSUVTFHK-UHFFFAOYSA-N 304.159 2.745 0 40 DFAB Cc1nnc(SCC(=O)N(C)Cc2ccccc2C)s1 72741471 JOHDWHQBCNUYIK-UHFFFAOYSA-N 307.444 2.906 0 40 DFAB CCOC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C 97673669 MRMXRQDZOOGIBV-CQSZACIVSA-N 323.389 2.694 0 40 DFAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)[C@@H]3C 104254809 KSWTVOIQZBRWIZ-BJINURBMSA-N 315.413 2.514 0 40 DFAB O=C(CCCc1cccs1)Nc1ccc(-n2cncn2)nc1 12538672 DQVOXUVHFKLCTO-UHFFFAOYSA-N 313.386 2.685 0 40 DFAB O[C@@H](CNc1ncnc2c1oc1ccccc12)COCC1CC1 95393400 JKIYICIQZDSMPC-LBPRGKRZSA-N 313.357 2.575 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)c1ccc(F)cc1)C2=O 84668265 YJLDIHLVZJIJPR-SUNYJGFJSA-N 319.376 2.670 0 40 DFAB O=S(=O)(Cc1ccccc1F)Nc1ncccc1Cl 97140349 QMCFMOJGKAFDLO-UHFFFAOYSA-N 300.742 2.816 0 40 DFAB Cc1c(Cl)cc(S(=O)(=O)Nc2ncccn2)cc1Cl 97114302 SOJNRGCYJJZJPD-UHFFFAOYSA-N 318.185 2.893 0 40 DFAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(N2CCCC2)nc1 48087241 NSRLJKTZFCIXHJ-KBPBESRZSA-N 317.437 2.981 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 108361356 YGTGNUDSKJTOEB-FMKPAKJESA-N 322.405 2.629 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1cnc(-c2ccccc2)s1 97197680 REFOKBKIZNXYEF-CYBMUJFWSA-N 324.409 2.751 0 40 DFAB COc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(C)cc1 58128542 DEDFOAOBUCKIBL-OAHLLOKOSA-N 312.413 2.971 0 40 DFAB CN(C)CC(C)(C)CNC(=O)c1sccc1-n1cccc1 58133241 OPIIQANDNVEQHE-UHFFFAOYSA-N 305.447 2.856 0 40 DFAB CCCCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 58264061 MPCMHLZZISQSSH-UHFFFAOYSA-N 317.311 2.532 0 40 DFAB CCOc1cccc([C@H](C)NC(=O)CCNc2ncccn2)c1 58281433 UQOGWYAXJGIIEA-ZDUSSCGKSA-N 314.389 2.555 0 40 DFAB Cn1ncc2c(N3CCC(COC4CCCC4)CC3)ncnc21 44976353 BWGWMNBHIJWXPP-UHFFFAOYSA-N 315.421 2.539 0 40 DFAB C[C@H](CN1CCOCC1)NC(=O)c1ccccc1-c1ccccc1 48221413 GSQQCYGPGWFATO-MRXNPFEDSA-N 324.424 2.804 0 40 DFAB CC(C)c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 2215574 HRAMFKXBPFBHNS-UHFFFAOYSA-N 302.359 2.747 0 40 DFAB Cc1nc(NC2CCN(C)CC2)c2c3c(sc2n1)CCC3 58851310 VUGGXGATXWZFNL-UHFFFAOYSA-N 302.447 2.995 0 40 DFAB COCCCNC(=O)CSCc1c(F)cccc1Cl 107757951 NFWQULXCCFDBIK-UHFFFAOYSA-N 305.802 2.865 0 40 DFAB Cc1cnc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cn1 11058954 IFRXFFOCGMVECP-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB C1CC(N2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)C1 107771423 ABBOZEKEHIORFO-OALUTQOASA-N 323.477 2.853 0 40 DFAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1C1CC1 59707472 ZQFVDCZYTLIUDX-UHFFFAOYSA-N 315.760 2.777 0 40 DFAB O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@H]1c1ccccc1 45787537 LUBKEOHTSHTNOZ-KRWDZBQOSA-N 323.396 2.505 0 40 DFAB O=C1c2cccc3cccc(c23)N1C[C@H](O)COCc1ccco1 45821552 UTJZTVAKNVNPFG-AWEZNQCLSA-N 323.348 2.971 0 40 DFAB O=C(NCCC1CCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 46279517 LTHHGIKVXMGOMZ-HNNXBMFYSA-N 306.450 2.864 0 40 DFAB COC(=O)N1CCC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 95453281 JFSHPDJLVFSYCH-SNVBAGLBSA-N 310.785 2.650 0 40 DFAB COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1C 2696994 OJMVSKHZCCWWLT-RYUDHWBXSA-N 311.447 2.979 0 40 DFAB COc1cc(CNCCc2cccc(F)c2)cc2c1OCO2 19549976 MZRKGWCCGYSRHG-UHFFFAOYSA-N 303.333 2.895 0 40 DFAB COc1cccc(C2(C(=O)N3CC[C@H]([C@H](C)O)C3)CCCC2)c1 96004212 JESDXVWKDYHRBN-GJZGRUSLSA-N 317.429 2.736 0 40 DFAB COc1cccc(C(=O)NCCN[C@@H]2CCCC[C@@H]2C2CC2)c1 96003158 CZFJAPPNYKNONN-QZTJIDSGSA-N 316.445 2.983 0 40 DFAB Cc1ccc(CCCC(=O)N(CC(N)=O)C2CCCC2)cc1 65551225 IEKWWXBGHLTSAT-UHFFFAOYSA-N 302.418 2.574 0 40 DFAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Cl)cc1OC 409234267 JSCZWYIYUSCLKR-IZZDOVSWSA-N 324.764 2.660 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Cl)ccn1 9385084 AIMJKMZTCLOHCX-UHFFFAOYSA-N 319.748 2.954 0 40 DFAB CCCC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 14244379 QVWUPMOWERQDKT-UHFFFAOYSA-N 313.382 2.995 0 40 DFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cc1 4646647 CEVVVIXRBQLFKB-PKIAMQTDSA-N 301.342 2.547 0 40 DFAB COc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 14728438 FCXRFTLSXMRXTM-LBPRGKRZSA-N 302.282 2.519 0 40 DFAB biogenic CCN1CCC[C@@H]1CNC(=O)CCn1ccc2ccc(F)cc21 95473537 LCWIHKFBVGTIOQ-MRXNPFEDSA-N 317.408 2.771 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc2c(c1)CCC2 7302704 DMLAYZNSPCDAEA-LBPRGKRZSA-N 314.410 2.928 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 16089419 DHHOXSFLPKIJME-SNVBAGLBSA-N 318.236 2.870 0 40 DFAB NC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2F)c1 71890898 NQIBAMCFONZOKN-UHFFFAOYSA-N 310.687 2.969 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)COC2CCCCC2)n1 70040874 RMIMLTPPTRXFRH-MRXNPFEDSA-N 319.449 2.840 0 40 DFAB Cc1ccccc1Oc1ccccc1CNC(=O)[C@H]1CCC(=O)N1 70012987 DDTVYEKKUFXEEX-OAHLLOKOSA-N 324.380 2.682 0 40 DFAB CC(C)c1nc2n(n1)C[C@@H](Nc1ncnc3sccc13)CC2 70011295 KCRGURYUVVQQCV-JTQLQIEISA-N 314.418 2.833 0 40 DFAB Cc1c(C(=O)N2CCn3c(C)nnc3C2)sc2ccccc12 69488746 ZKFPEBJUWWPGHF-UHFFFAOYSA-N 312.398 2.766 0 40 DFAB Cc1cnc(S(=O)(=O)Cc2nc(C(C)(C)C)cs2)nc1 91574956 JEDPBWHBKRRDOK-UHFFFAOYSA-N 311.432 2.513 0 40 DFAB O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1Cn1cccn1 71866256 XAQCZFANZFSQPA-QGZVFWFLSA-N 322.412 2.919 0 40 DFAB CC1(CNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCCC1 71889161 ACENXDRXXIKOLX-LBPRGKRZSA-N 321.387 2.750 0 40 DFAB CC(C)(O)[C@H]1CCCN1C(=O)NCCCc1cccc(F)c1 96502861 IUZGEEVBZMQMME-OAHLLOKOSA-N 308.397 2.703 0 40 DFAB C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)NC1CC1 83966584 APFGCUSOMDBBEO-LLVKDONJSA-N 313.357 2.611 0 40 DFAB COCc1ccccc1NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 97013555 GEKOUMQFWJPIPZ-JSGCOSHPSA-N 303.406 2.580 0 40 DFAB Cc1occc1CN(C)C(=O)CCc1ccc(C(=O)O)cc1 97036717 ZUNSEQVPNQIZQF-UHFFFAOYSA-N 301.342 2.877 0 40 DFAB CC(C)c1nnc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299955 KGXHXQZFCPVTLH-LBPRGKRZSA-N 317.393 2.833 0 40 DFAB C[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1 85218936 SYEOLHIWLRIYNT-ZETCQYMHSA-N 320.133 2.588 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)NC[C@H]1CCCN1C 95955524 KZPAOUPPUIAQQR-LLVKDONJSA-N 305.403 2.536 0 40 DFAB CCc1cccc(NC(=O)CN2CC[C@H]3[C@H](CCCN3C)C2)c1 89289531 VQTGMRNKIKUBTB-AEFFLSMTSA-N 315.461 2.604 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c(=O)[nH]1 75121138 NGKJYZRCCPZMJF-HNNXBMFYSA-N 314.360 2.670 0 40 DFAB Fc1ccc(Cc2noc(N[C@@H]3CCO[C@@H]3C3CC3)n2)cc1 89787952 ZIMQYPGTJCKVNG-UKRRQHHQSA-N 303.337 2.779 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNc1ccc(C(=O)N(C)C)cn1 75610805 LRNKLZOHMYGVRC-HIFRSBDPSA-N 305.422 2.791 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)Cc2cccs2)o1 76084038 HMTIGQSUSIZIGW-ZBEGNZNMSA-N 322.430 2.787 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccc(OCC)cc2OCC)C1=O 409233317 UVXJCUNWNVPTGX-GXDHUFHOSA-N 318.373 2.787 0 40 DFAB Cc1nnc(N2CCN(c3cccc4cnccc34)C[C@@H]2C)o1 553565618 KGXIEBQISQVUDD-LBPRGKRZSA-N 309.373 2.641 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)c1 67947673 IGVBLNRKDYJDSS-ZDUSSCGKSA-N 321.384 2.975 0 40 DFAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccccc1F 409416282 YWGVUKAIDXQRML-CLFYSBASSA-N 301.317 2.912 0 40 DFAB CC(=O)NCCC(=O)N(c1ccccc1)C1Cc2ccccc2C1 74810108 SQGUTXUOMWXONQ-UHFFFAOYSA-N 322.408 2.713 0 40 DFAB N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 72227347 HEIHGSLMAMKPIP-KBPBESRZSA-N 317.186 2.864 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1COc2ccccc21 79092184 HYIHIRRIUSIBIW-KRWDZBQOSA-N 319.364 2.665 0 40 DFAB COc1ccc(/C=C2/N[C@H](c3ccccc3)OC2=O)cc1OC 31750635 FBDVKVMDOVNBFI-SHRNQRGKSA-N 311.337 2.890 0 40 DFAB Clc1ccc(-c2ccc3nnc([C@H]4CCCNC4)n3n2)cc1 217561218 JBLPNTDCKCLJIN-LBPRGKRZSA-N 313.792 2.912 0 40 DFAB Cc1ccc(-c2nc(CN[C@H](C(N)=O)c3ccccc3)co2)cc1 73412117 YKSVHZFJCTVPGD-KRWDZBQOSA-N 321.380 2.966 0 40 DFAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222974818 JEDKEZWBVYNYCZ-CQSZACIVSA-N 320.433 2.739 0 40 DFAB Cc1ccsc1CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 80607528 GVBKPEJVBMRLPX-UHFFFAOYSA-N 319.430 2.676 0 40 DFAB CCNC(=O)c1cc2nc(C(=O)O)n(C(C)C)c2cc1Cl 225730719 ZQVHHHBMZAQNHT-UHFFFAOYSA-N 309.753 2.719 0 40 DFAB C[C@H](NC(=O)C(C)(C)O)c1ccc(Oc2cccnc2)c(F)c1 225433151 YQNXSGPIZGPARP-NSHDSACASA-N 318.348 2.961 0 40 DFAB CN(C)c1ncccc1NC(=O)CCSc1ccccn1 87154583 GYEHHQQQQXPTRM-UHFFFAOYSA-N 302.403 2.664 0 40 DFAB CC[C@@H](C(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccccc1 192876900 KCMZKSMOXVAQOC-OAHLLOKOSA-N 323.458 2.606 0 40 DFAB CO[C@@H]1CCN(CC2CCOCC2)C[C@@H]1Cc1ccccc1 96110179 MHYAWORVKBFBNA-RBUKOAKNSA-N 303.446 2.993 0 40 DFAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)nn1 96064058 BJBJTPSAQOAOQQ-CABCVRRESA-N 300.431 2.700 0 40 DFAB O=C(C1CCC1)N1CCCC2(CCN(C[C@@H]3CCCO3)CC2)C1 96217510 SUJQHTLBNIRBOR-KRWDZBQOSA-N 320.477 2.670 0 40 DFAB CCS[C@H]1CC[C@]1(O)CNC(=O)C(C)(C)c1ccccc1 96450741 YFNCDRITGMVUEQ-YOEHRIQHSA-N 307.459 2.727 0 40 DFAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1F 95452594 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Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)n1 257242650 IDMHANLZMUETCT-LBPRGKRZSA-N 317.393 2.521 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(F)c1 26378882 XSFKYZYQYNIBQA-WFASDCNBSA-N 308.378 2.527 0 40 DFAB O=C(/C=C/c1ccccc1)NCCn1ccc(C(F)(F)F)n1 96098964 XAXBZNUZJLYXBU-VOTSOKGWSA-N 309.291 2.732 0 40 DFAB C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cnn2cccnc12 296144928 PVCUKLDCKYHASX-VHSXEESVSA-N 312.295 2.532 0 40 DFAB CC(=O)N1CCCC[C@H]2N(CC3(O)CCCCC3)CCC[C@@]21C 585284462 SLHBPDGCIVFFJR-MSOLQXFVSA-N 322.493 2.937 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2ccc3c(c2)OCCO3)n1 64338476 FCYZDGWVBSXCPD-UHFFFAOYSA-N 318.398 2.786 0 40 DFAB CC(C)N1CCC(c2nccnc2N[C@H]2CCCOC2)CC1 72365364 MQOIPIJQAOKAPU-HNNXBMFYSA-N 304.438 2.655 0 40 DFAB CC(C)(C)c1nnnn1C[C@@H](O)c1ccc(C(F)(F)F)cc1 49998804 XYDTYXPDOQVJRO-LLVKDONJSA-N 314.311 2.723 0 40 DFAB O=C(N=c1cc[nH]cc1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565524588 LPWGQQDYORTURB-UHFFFAOYSA-N 321.361 2.812 0 40 DFAB c1ccc2nc(N3CC(N4CCc5sccc5C4)C3)cnc2c1 1775971876 WHHBMVSOIWFIEB-UHFFFAOYSA-N 322.437 2.938 0 40 DFAB Cc1ccc(NC(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)cc1 14031611 SQISWXSPCCQSAD-CYBMUJFWSA-N 315.398 2.536 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)C12CC3CC(CC(C3)C1)C2 14169433 CNFCAXUGTOSFGO-IWERZKIRSA-N 300.402 2.710 0 40 DFAB CC(=O)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 19693173 OTBTZLCPVWMQTR-AWEZNQCLSA-N 317.776 2.717 0 40 DFAB Cc1cccc2c1N(C(=O)c1ccc(-n3cncn3)c(F)c1)CC2 158835910 WCQKHXKEZIKGDX-UHFFFAOYSA-N 322.343 2.918 0 40 DFAB COc1ccccc1C1(CNC(=O)C(C)(C)C)CCOCC1 16969871 NZFBMYKZPSYNGV-UHFFFAOYSA-N 305.418 2.906 0 40 DFAB O=C(COC(=O)CCc1ccccc1)Nc1cccc(F)c1 6375094 AMKRGOHGGYYTFQ-UHFFFAOYSA-N 301.317 2.940 0 40 DFAB Cc1cc(N2CCC(Oc3ncc(Cl)cn3)CC2)nc(C)n1 1888843262 RAMXLJKVJOIGOA-UHFFFAOYSA-N 319.796 2.585 0 40 DFAB Clc1cnccc1N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889108927 FUKFGYGXMKGYAL-SWLSCSKDSA-N 300.793 2.845 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 9134250 CTFGQGSQUIMDAM-UHFFFAOYSA-N 324.380 2.785 0 40 DFAB C[C@@]12CC[C@@]3(C)OCC(COC(=O)Nc4ccccc4)(CO1)N23 12402598 FOARHEYXZRYCDR-SJPCQFCGSA-N 318.373 2.563 0 40 DFAB COC1(CC(=O)N2CC[C@]3(COc4ccc(C)cc43)C2)CCC1 2055793426 CKSAYUPHSMVWSS-GOSISDBHSA-N 315.413 2.817 0 40 DFAB CCOCCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 20158414 VALLZUCDJDVWLV-UHFFFAOYSA-N 318.461 2.750 0 40 DFAB CCc1nc(C)c(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)s1 50317099 IOXPCYGPOXTACE-SNVBAGLBSA-N 320.462 2.893 0 40 DFAB Cc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)n(C)n1 40512252 NTMPZOMPHBLBHP-UHFFFAOYSA-N 312.417 2.967 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)c(C(N)=O)c1 40501251 XSPAOOOQUAZTHW-YGRLFVJLSA-N 323.824 2.546 0 40 DFAB CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nccs1 40512971 ZHOAGGBBXICQOJ-UHFFFAOYSA-N 318.398 2.898 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]1c1cccnc1 51341818 BJRKIFKRXYVWAD-ZWKOTPCHSA-N 318.380 2.687 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 101357032 YGXYDYAYCQSPGI-CRJCFHLZSA-N 303.745 2.563 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755247 KOGSPRXXGGSIPL-GFCCVEGCSA-N 315.398 2.634 0 40 DFAB Cn1cc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)cs2)cn1 52442192 VQGNJTNSZIJXOC-GJZGRUSLSA-N 318.446 2.687 0 40 DFAB CN(C)C(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 521633 JXSQQUJSEODONK-UHFFFAOYSA-N 321.380 2.542 0 40 DFAB CSc1nnc2c3cnn(-c4ccc(C)cc4C)c3ncn12 542596 JUVPPBZYZWVIKB-UHFFFAOYSA-N 310.386 2.802 0 40 DFAB CC(C)n1nccc1NC(=O)CCc1ccc2c(c1)OCO2 22292028 JDHCXUASFIRKHM-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 289816 FMCWZTNHGGJFFJ-LBPRGKRZSA-N 315.398 2.697 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)NCc2ccccc2)c(C)c1 12459625 BXZWSDNGLUQXIF-UHFFFAOYSA-N 311.385 2.741 0 40 DFAB O=C1O[C@@H](C(=O)NCc2ccc(Cl)s2)Cc2ccccc21 23134593 ZKPFFRWQJUMEMD-GFCCVEGCSA-N 321.785 2.799 0 40 DFAB Cc1cc(C)n2nc(C(=O)OC/C=C/c3ccccc3)nc2n1 7986655 OQRLMXQTVDOPSI-RMKNXTFCSA-N 308.341 2.611 0 40 DFAB COc1ccc(Cl)cc1CN(C)CC(=O)Nc1cc(C)on1 8005688 BLOKZIMZBWZMJL-UHFFFAOYSA-N 323.780 2.716 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)no1 24535587 FPBCQUWBJXTGBN-ZDUSSCGKSA-N 318.377 2.925 0 40 DFAB O=C(Nc1nncs1)N1CCN(c2ccccc2Cl)CC1 43128137 WLARAPQYNOSOGG-UHFFFAOYSA-N 323.809 2.546 0 40 DFAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)NC1CCCCC1 8255000 PXGCWSYDWWRDDH-LBPRGKRZSA-N 307.365 2.749 0 40 DFAB N[C@H](CC(=O)O)c1cnc(-c2ccc(Cl)cc2Cl)nc1 8730991 SJDQGXVSKNCBOJ-LLVKDONJSA-N 312.156 2.925 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CCc1ccccc1 55485304 UUAGXDCEMQZYHT-INIZCTEOSA-N 316.445 2.773 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25076884 QFIMKGULMLOLPZ-UHFFFAOYSA-N 313.336 2.818 0 40 DFAB CNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O 1400087 SARHNNNDELTXKP-UHFFFAOYSA-N 311.168 2.563 0 40 DFAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cnn(-c2ccccc2)n1 107333324 MFYTZNDHOWIDIH-SOUVJXGZSA-N 310.401 2.823 0 40 DFAB CCCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 44220538 YMVRTEDSRYWKFP-UHFFFAOYSA-N 303.406 2.905 0 40 DFAB O=C1CCCN1CCCNC(=O)N1CCC[C@H]1c1cccs1 44890909 LTWIFSMWJVHTTN-ZDUSSCGKSA-N 321.446 2.607 0 40 DFAB COCCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 27689894 LQQAIQKTPHIMSL-UHFFFAOYSA-N 324.327 2.705 0 40 DFAB CCc1sc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1C 10213157 WQVRIOZKYKUWHA-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB COCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 58208524 BSUODZJYBKWGFU-QGZVFWFLSA-N 317.360 2.881 0 40 DFAB C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccc2[nH]c(=O)[nH]c2c1 44976506 IVVYREYIGDJERY-ZETCQYMHSA-N 323.278 2.838 0 40 DFAB CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)c1cccs1 58306623 REAVTEFEHPGWNI-BXUZGUMPSA-N 308.447 2.866 0 40 DFAB CCN(Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 58339617 OXGWSLZEXFHILP-ZDUSSCGKSA-N 321.364 2.714 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2NCCc1ccccc1 20227161 DSOOMZLWVXNSGD-KRWDZBQOSA-N 313.353 2.705 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](O)c1ccccc1 58419719 AZTLNVSILIJKAX-ZBEGNZNMSA-N 321.323 2.582 0 40 DFAB O=C(Nc1ccc2ccccc2n1)[C@H]1CC(=O)N(C2CCCC2)C1 45579086 FFVKTODRVVCHEQ-AWEZNQCLSA-N 323.396 2.964 0 40 DFAB CCCCN(C(=O)c1nc2nccc(C)n2n1)c1ccccc1 3359340 HARQYRUSOSMOQC-UHFFFAOYSA-N 309.373 2.880 0 40 DFAB CC(C)[C@H](CNC(=O)C1CCC1)N1CCc2ccccc2C1 29173923 GQNRSJCSYOLDEL-SFHVURJKSA-N 300.446 2.986 0 40 DFAB COc1cc(CNC(=O)c2cnc(C(C)(C)C)s2)ccn1 48356477 LMKUHARQASJTDK-UHFFFAOYSA-N 305.403 2.774 0 40 DFAB CCn1cc(CN(C)C(=O)c2ccc(OC(C)C)cc2)cn1 28222142 PCGLLSMYJHPNBC-UHFFFAOYSA-N 301.390 2.962 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](c1ccco1)N(C)C 2616975 LVWOMQRQXCCEJB-ZDUSSCGKSA-N 303.362 2.713 0 40 DFAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc[nH]1 2629167 VFSNIKIQYAIZLE-UHFFFAOYSA-N 314.370 2.579 0 40 DFAB CCOC[C@H](O)CN(CC)Cc1ccc(Br)s1 95396829 LNHPIXBDNYGOST-SNVBAGLBSA-N 322.268 2.730 0 40 DFAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc[nH]c1=O 13409543 KZXQGONBGAVNEM-UHFFFAOYSA-N 305.746 2.890 0 40 DFAB CC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2C)cc1 4106296 ZXFOHYGXNPCCOH-NSHDSACASA-N 324.336 2.599 0 40 DFAB CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1 4491687 KDJKVMXMEKBTJF-OAHLLOKOSA-N 318.373 2.666 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(CCC(=O)O)cc2)n(C)n1 97018930 VEQHHXRMIOHANQ-UHFFFAOYSA-N 315.373 2.813 0 40 DFAB CCCNC(=O)[C@H](C)N(C)Cc1ccc(OC(F)F)cc1 65533040 YBEYIVHIKMBDLL-NSHDSACASA-N 300.349 2.635 0 40 DFAB C[C@@H](C(=O)O)[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 97035758 JWAIMOKKQGOROW-SKDRFNHKSA-N 303.280 2.907 0 40 DFAB O=C(c1cscn1)N(Cc1ccccc1)[C@@H](CO)C1CC1 97046185 LXZGCHZHUXYKTO-HNNXBMFYSA-N 302.399 2.556 0 40 DFAB CCN(CC)C(=O)CSCC(=O)Nc1ccc2c(c1)CCC2 6602936 MBNWVSJXNVMTCZ-UHFFFAOYSA-N 320.458 2.715 0 40 DFAB O=C1CCC(C(=O)OC(c2ccccc2)c2ccccc2)=NN1 9375920 NUTFLSZWGVDLIL-UHFFFAOYSA-N 308.337 2.585 0 40 DFAB CC1(C)CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1 4945080 ULAQJOOCGGGEBW-UHFFFAOYSA-N 307.353 2.869 0 40 DFAB O=C(NCCn1ccnc1)N1CCC[C@@H](c2ccccc2)CC1 67358907 CJOMZLSZBHCAEL-QGZVFWFLSA-N 312.417 2.862 0 40 DFAB CSC[C@](C)(O)CNCc1cc(F)ccc1Br 90186927 VJRRXCLIACXKOY-GFCCVEGCSA-N 322.243 2.792 0 40 DFAB COc1cc(C(=O)NCCCN2CCCC[C@@H]2C)ccc1C 7240771 XRQJGSAXKDRTIA-HNNXBMFYSA-N 304.434 2.998 0 40 DFAB O=c1c2ccccc2ncn1Cc1cn2cc(Cl)ccc2n1 7675828 QRZWYLAVTNUFMT-UHFFFAOYSA-N 310.744 2.746 0 40 DFAB Cc1nnc(CN2CCN([C@H](C)c3ccccc3Cl)CC2)o1 96305406 IQCBZYGGNNKVAI-GFCCVEGCSA-N 320.824 2.910 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2F)C1=O 7736169 LDHXNPFOBZDEGU-CYBMUJFWSA-N 314.316 2.578 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2NC1=O 8014549 IMUBKRFDDQCHHY-QMMMGPOBSA-N 318.279 2.937 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 97111759 ORRYMVWZFJSODX-RWMBFGLXSA-N 320.389 2.655 0 40 DFAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NCc1ccc(F)cc1 8268033 KZAMPXOCVULETE-HZPDHXFCSA-N 304.409 2.954 0 40 DFAB CCN(C(=O)N1CCOC[C@@H]1CC(=O)c1cccs1)C(C)C 97144761 HHTHOOJYYAMCNM-ZDUSSCGKSA-N 324.446 2.872 0 40 DFAB NC(=O)c1sc2nc(C3CC3)cc(C(F)(F)F)c2c1N 8417904 WROGGZKMPNGXAT-UHFFFAOYSA-N 301.293 2.874 0 40 DFAB CO[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 69739483 KBPRSUAODUDHOJ-SFHVURJKSA-N 324.380 2.922 0 40 DFAB CSc1ccccc1NC(=O)CCN1CCOCC1(C)C 69738610 GUNCPFZJXARJIB-UHFFFAOYSA-N 308.447 2.848 0 40 DFAB CCC(CC)(NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1 69815387 CNYZWYWGYBFALR-CYBMUJFWSA-N 308.809 2.750 0 40 DFAB COc1cccc(Cc2nnc(NC(=O)NC(C)C)s2)c1 71884020 KQHHUSFUGJCKHZ-UHFFFAOYSA-N 306.391 2.667 0 40 DFAB CN1CCc2c(NC(=O)NCCc3ccc(O)cc3)cccc21 83881753 QEIRDUCNRHCRDL-UHFFFAOYSA-N 311.385 2.749 0 40 DFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 71927984 AYJJHYJCJVVJIV-DOMZBBRYSA-N 311.385 2.718 0 40 DFAB C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc[nH]n1 72306709 ZABLFCRUSCBFHN-SECBINFHSA-N 324.306 2.733 0 40 DFAB CC1=NN(c2ccc(C(=O)NC3CCSCC3)cc2)CC1 95393561 MGNDTOXIAKECSM-UHFFFAOYSA-N 303.431 2.898 0 40 DFAB CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)c(O)c(F)c3)nc2c1 95442595 RQOPJMQSISWXLX-UHFFFAOYSA-N 324.308 2.617 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C12CCCCC2 98018828 IDJNNBIKBYLYRV-CABCVRRESA-N 306.406 2.770 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2Cl)c(=O)[nH]1 75119998 SVNGYHDWMWNLGY-LLVKDONJSA-N 304.777 2.698 0 40 DFAB CCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 76057021 YHVSMLSNVDIORE-MELADBBJSA-N 322.453 2.566 0 40 DFAB O=C(NC[C@H]1CCC[C@H]1O)Nc1ccccc1OCC1CC1 76070608 KSQVPTDREAGSNZ-UKRRQHHQSA-N 304.390 2.758 0 40 DFAB COC(=O)CSc1nc(C)cc(-c2ccc(OC)cc2)n1 409386992 YFXWBZQYUMTFMH-UHFFFAOYSA-N 304.371 2.726 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C)CC2=O)cc1 20367529 XXGKKSUPOONMBO-CABCVRRESA-N 300.402 2.749 0 40 DFAB COc1ccc(CN2CCC(NC(=O)C(C)(C)C)CC2)cc1F 1004020262 AQIMGDLHVHWSDS-UHFFFAOYSA-N 322.424 2.961 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1F 77671701 JLGKYFRGLFKVRV-SECBINFHSA-N 306.790 2.715 0 40 DFAB C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)Oc1ccccc1 72821759 VTGHPZAIPKZCDT-CYBMUJFWSA-N 301.390 2.835 0 40 DFAB Cc1nccc(N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)n1 72355604 JEXMRURCHAMMHJ-HNNXBMFYSA-N 320.400 2.750 0 40 DFAB CCOc1ccc(CCC(=O)NCCCOC)cc1OCC 216323764 ISXIFZOBKKMPCT-UHFFFAOYSA-N 309.406 2.569 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2cccnc2)cc(OC)c1OC 32731633 NNAYQVUQEKSNAI-LLVKDONJSA-N 316.357 2.598 0 40 DFAB O=S(=O)(C1CCCC1)N1CCC[C@H](Cc2ccccn2)C1 72386255 NMNVIZXLZCCSBC-CQSZACIVSA-N 308.447 2.609 0 40 DFAB Cc1cc2c(=O)n(C)c(=O)n(Cc3ccccc3Cl)c2s1 32072612 BRMZVZADAKXGNL-UHFFFAOYSA-N 320.801 2.772 0 40 DFAB COCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1 36709142 XIFYSJPQMMYBDM-UHFFFAOYSA-N 309.369 2.792 0 40 DFAB OCCN1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72361606 HLWBFUYEJRPEQE-ZDUSSCGKSA-N 317.364 2.580 0 40 DFAB Cc1noc([C@H](OC(=O)c2cscn2)c2ccccc2)n1 79705793 LOSAUBSUJCWOBD-GFCCVEGCSA-N 301.327 2.781 0 40 DFAB COc1ccc2[nH]cc(C3CCN(CC(OC)OC)CC3)c2c1 136748303 PKDRIBHDBWVJEI-UHFFFAOYSA-N 318.417 2.975 0 40 DFAB Cc1ccsc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O 49474534 QVEDXUYQXJGTHC-GFCCVEGCSA-N 307.346 2.621 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccoc3)C2)c1 81640057 IBFXSMKWBLNQAW-GFCCVEGCSA-N 301.342 2.927 0 40 DFAB CCOc1ccc(-c2nnc3sc(NC(=O)CC)nn23)cc1 41108776 LYXMZNVVIVQYMJ-UHFFFAOYSA-N 317.374 2.600 0 40 DFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C 222734279 CYRVHKUFHHBHBP-GJZGRUSLSA-N 300.431 2.639 0 40 DFAB CC(C)(C)CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 225798134 PDMGTQQYYJAAAT-UHFFFAOYSA-N 305.353 2.971 0 40 DFAB CCCN1C(=O)CCc2cc(NC(=O)NCC(F)F)ccc21 91195928 BLBBKLDDCFAXSJ-UHFFFAOYSA-N 311.332 2.762 0 40 DFAB CCCC(=O)N1CCC2(CCCN2Cc2cccnc2)CC1 96227978 QCPAJDZOAOIPFD-UHFFFAOYSA-N 301.434 2.839 0 40 DFAB c1cncc(CO[C@@H]2CN(Cc3ccoc3)[C@H]3CCCO[C@@H]32)c1 96058092 PXBXQXLVVDCFPL-KSZLIROESA-N 314.385 2.623 0 40 DFAB CC(C)n1cnc2ccc(NC(=O)c3ccccn3)cc2c1=O 95475542 UFULQHCGCSAYKC-UHFFFAOYSA-N 308.341 2.625 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC 95533884 SLJRNQKVOIIBED-MRXNPFEDSA-N 324.384 2.845 0 40 DFAB CCN(CC)C(=O)C1(NCc2nc(C)c(C)o2)CCCCC1 96424420 UERAQHOJWGMDDF-UHFFFAOYSA-N 307.438 2.952 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CC1(Cl)Cl 96431667 HCMJGABDRWYLNH-VHSXEESVSA-N 318.200 2.773 0 40 DFAB O=C1CCC(=O)N1CCN1C[C@@H]2CCCC[C@]21c1ccccc1 96481035 RYAXJSGTOMCTJS-LPHOPBHVSA-N 312.413 2.537 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccncc1)[C@H]2C 96061985 WIUZTTBBXGFGJE-HNNXBMFYSA-N 313.449 2.695 0 40 DFAB O=C(Nc1cnn(-c2ccccc2)c1)N1CCO[C@H]2CCC[C@@H]21 96421996 HVMWHSZUNQORMX-HOTGVXAUSA-N 312.373 2.658 0 40 DFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247742981 OVOYXPCHHVGQDZ-HYVNUMGLSA-N 320.396 2.867 0 40 DFAB CC1(C)CC[C@@H](CNC(=O)N2CCC(c3nccs3)CC2)O1 242242340 XTZMNXAINYFVIU-ZDUSSCGKSA-N 323.462 2.990 0 40 DFAB Cc1nccc([C@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 257280468 OLAGBWTWKPFIIU-MRXNPFEDSA-N 311.385 2.893 0 40 DFAB COc1ccc([C@H]2CN(C(=O)c3cccs3)CCN2C)cc1 257282395 OTOVKWDJPLONCX-OAHLLOKOSA-N 316.426 2.886 0 40 DFAB COCCN1CCC[C@H]1c1cccc(-c2cnc(C)n2C)n1 257329401 XJVMLADLIQGASD-INIZCTEOSA-N 300.406 2.574 0 40 DFAB CCC(=O)N1CCN(C(=O)N[C@H](C)c2cc(C)ccc2C)CC1 69656923 OXSBKPYMVWHNPG-OAHLLOKOSA-N 317.433 2.628 0 40 DFAB Cn1cc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 257204717 AVZIDRLXKUXSAD-MRXNPFEDSA-N 324.428 2.593 0 40 DFAB COCC(=O)N(C)Cc1ccc(-c2ccccc2C(=O)O)cc1 257343485 ZTFIZTKQXQXHEE-UHFFFAOYSA-N 313.353 2.657 0 40 DFAB COC[C@H]1CN(C)CC12CCN(Cc1ccc(C)s1)CC2 585103980 VBAFNZYHHBYUOS-OAHLLOKOSA-N 308.491 2.847 0 40 DFAB CCOC[C@@H]1CCN(C)C2(C1)CN(Cc1ccc(F)cc1)C2 585102651 DWWFPLPDOAZGBN-MRXNPFEDSA-N 306.425 2.758 0 40 DFAB CN(C)c1nc([C@@H]2CCCN2c2ncccn2)cn2cccc12 585178763 KSLLYYBFNHQYKU-AWEZNQCLSA-N 308.389 2.532 0 40 DFAB COc1cc(NC(=O)NC[C@H](O)c2ccccc2)cc(OC)c1 69436156 RSQUCRJUIGFUTR-INIZCTEOSA-N 316.357 2.559 0 40 DFAB Cc1nc(CN2CCOc3c(cccc3C(=O)O)C2)c(C)s1 1551395940 FLDAMMMEFDPSBZ-UHFFFAOYSA-N 318.398 2.853 0 40 DFAB CCOC(=O)c1ccc(NC(=O)N(C)Cc2ccncc2)cc1 32907361 NVLXEJHFLFTLHY-UHFFFAOYSA-N 313.357 2.922 0 40 DFAB Cc1nc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cs1 45343678 LDANIIYGQDHURX-RYUDHWBXSA-N 310.467 2.514 0 40 DFAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 45243531 MUUSOLBIENUXOJ-AAEUAGOBSA-N 308.809 2.728 0 40 DFAB O=C(c1ccc(I)cc1)[C@@H]1CCCO1 36941474 NIGUUNWVSSBRBS-JTQLQIEISA-N 302.111 2.653 0 40 DFAB in-vitro Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)n1ccnc1 75602362 COLMQLVQQQBZQD-NWDGAFQWSA-N 321.812 2.503 0 40 DFAB CC[C@@H](C)NC(=O)CCNCc1ccccc1Br 37997133 IMBYNIPIRBLODQ-LLVKDONJSA-N 313.239 2.844 0 40 DFAB CC(C)[C@H](CNc1cnn(C)c(=O)c1Cl)Nc1ccccc1 78600942 JSIZFVBBFUUKON-ZDUSSCGKSA-N 320.824 2.982 0 40 DFAB COc1nn(C)cc1C(=O)NCc1cc(-c2ccoc2)cs1 1775969968 UUKCKUVJQXLOHU-UHFFFAOYSA-N 317.370 2.680 0 40 DFAB COc1cc(NC[C@@H](O)CN2CCCCC2)c2ncccc2c1 5853628 MPJBRAIWKHUROA-OAHLLOKOSA-N 315.417 2.502 0 40 DFAB CCn1cncc1CN1CCC(O)(c2ccccc2F)CC1 12117051 VONBGPQUCFLJMP-UHFFFAOYSA-N 303.381 2.526 0 40 DFAB FC(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc12 12398909 PNMKSLUEZPIQDU-UHFFFAOYSA-N 321.375 2.894 0 40 DFAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CC3)ccc21 10972206 CPIIXDLSRFYEKB-UHFFFAOYSA-N 302.374 2.807 0 40 DFAB Cc1cc(C)cc(NC(=O)CSc2nnnn2C(C)C)c1 16452721 ZXQOLRFOOQMWGT-UHFFFAOYSA-N 305.407 2.602 0 40 DFAB Cc1n[nH]c(C)c1CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131395743 FAFVTAPVTWDKTQ-KBPBESRZSA-N 322.453 2.952 0 40 DFAB Cc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)n(C)n1 9122523 HQJAOPVTEMTBIZ-UHFFFAOYSA-N 308.313 2.869 0 40 DFAB CC(C)CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 11407657 NUJMSAGLKJHGGY-UHFFFAOYSA-N 317.414 2.710 0 40 DFAB Cc1c(C(=O)NCCNc2cnccn2)sc2ccccc12 31598522 ZISYBKCHIQDAIA-UHFFFAOYSA-N 312.398 2.842 0 40 DFAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(C)cnc4c3cc2CO1 32095371 JRYRFNSOJAVMTD-INIZCTEOSA-N 315.398 2.785 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101357029 YGXYDYAYCQSPGI-GVAFMPQTSA-N 303.745 2.563 0 40 DFAB C[C@H](NC(=O)CCCNc1ncccn1)c1ccc(F)cc1F 32926127 IZAVSRDSVDBSCQ-NSHDSACASA-N 320.343 2.824 0 40 DFAB Fc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 133753 ADWFLFVZSZYMSX-UHFFFAOYSA-N 306.304 2.859 0 40 DFAB CCc1ccc(C2=NN(C(=O)OC)[C@](O)(C(F)(F)F)C2)cc1 199898 QLAYQSFFZBNXHJ-CYBMUJFWSA-N 316.279 2.676 0 40 DFAB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)NC2=O 3098862 AGAFSOMUEXBTDB-UHFFFAOYSA-N 301.301 2.954 0 40 DFAB CC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1 3431331 QVMLCRYEZMUQAC-UHFFFAOYSA-N 322.368 2.930 0 40 DFAB Nn1c(S)nnc1CCn1c2ccccc2c2ccccc21 4189197 NZSNNCFMXKAAPB-UHFFFAOYSA-N 309.398 2.631 0 40 DFAB Cn1c(SCC(=O)N2CCc3ccccc32)nc2cccnc21 4852765 LBSZNNAVIDGYIT-UHFFFAOYSA-N 324.409 2.650 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2F)[C@@H]1C 5118145 UDBMOQCJNNNRBB-JMSVASOKSA-N 307.365 2.923 0 40 DFAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccccc2)cc1 5329167 NNNBNHPZLXXZDK-UHFFFAOYSA-N 316.382 2.614 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 5634267 VWGPMAFCJXDGRL-UHFFFAOYSA-N 322.320 2.567 0 40 DFAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(-n2cccc2)cc1 5702800 DHLPFDFISCBZLK-CQSZACIVSA-N 314.385 2.939 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1F 6537577 SVPOBYRRHTYSID-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB COc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1F 6537595 DPXYIIFRGSFNKZ-UHFFFAOYSA-N 323.364 2.688 0 40 DFAB CCCCNC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 6629001 LHYUGNZSTCIPDR-UHFFFAOYSA-N 318.446 2.893 0 40 DFAB COc1ccc(C(=O)NC(=O)CSc2ccc(F)cc2)cc1 6641906 PFDTVSDQVQVKJV-UHFFFAOYSA-N 319.357 2.883 0 40 DFAB CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccccc2)C1=O 6758725 RGUVGDZMZNMUDT-MRXNPFEDSA-N 323.348 2.709 0 40 DFAB O=C(NCCCN1CCCC1=O)c1ccc(Cl)cc1Cl 8325117 RKPLQOLUGSKVOR-UHFFFAOYSA-N 315.200 2.736 0 40 DFAB COc1ccc(OCCn2nnc(-c3ccc(F)cc3)n2)cc1 8394370 LHMBCPSQCSORMR-UHFFFAOYSA-N 314.320 2.567 0 40 DFAB Cc1ccc(Cn2ccn(Cc3ccc(C)cc3)c(=O)c2=O)cc1 8588375 OWISWEBZZBGMBZ-UHFFFAOYSA-N 320.392 2.723 0 40 DFAB Cc1cccc(NC(=O)N[C@H](C)[C@H](O)c2ccc(O)cc2)c1 8772450 IGIZJRHXBXKKNT-WBMJQRKESA-N 300.358 2.944 0 40 DFAB COc1ccc2c(CC(=O)Nc3ccccc3C(N)=O)coc2c1 8938994 DSHMCELECONMKD-UHFFFAOYSA-N 324.336 2.722 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2NC1=O 9495595 DYXOCZWUYRWCEK-MRVPVSSYSA-N 318.279 2.937 0 40 DFAB COc1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 9836359 GYRWIKJRYIHTHX-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB CC(C)c1n[nH]c(SCc2nc3ccsc3c(=O)[nH]2)n1 9836438 SVTDCLYWLOJLKS-UHFFFAOYSA-N 307.404 2.518 0 40 DFAB CNC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12333867 AEYLFZSSMYZNKC-UHFFFAOYSA-N 300.324 2.663 0 40 DFAB O=C1C[C@H](c2cccc(Cl)c2)Cc2[nH]c(=O)c(C(=O)O)cc21 12389335 HVAXIAOBKAPELY-SECBINFHSA-N 317.728 2.639 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@H]1CCCc2ccccc21)C1CCCC1 12687536 XAWLULOHEWNJHJ-ZWKOTPCHSA-N 314.429 2.875 0 40 DFAB COc1ccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 12740823 SHKLCPADVSLIAN-UHFFFAOYSA-N 323.356 2.598 0 40 DFAB COc1ccc([C@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 13122132 UNCMYOBVUKMFSC-QWHCGFSZSA-N 313.386 2.890 0 40 DFAB COc1nc(Cc2ccccc2)c(=O)[nH]c1Cc1ccccc1 13449664 HDGSSKSUEFFBRK-UHFFFAOYSA-N 306.365 2.960 0 40 DFAB endogenous,in-man CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 14231971 XFYRTLNOMXZAIJ-HNNXBMFYSA-N 318.417 2.950 0 40 DFAB Cc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1 15634474 MVVUKPUDWQGXRY-UHFFFAOYSA-N 312.421 2.882 0 40 DFAB CCn1ccnc1SCC(=O)Nc1cccc2nsnc12 19078675 AGTANBMZEYQZGP-UHFFFAOYSA-N 319.415 2.639 0 40 DFAB Cc1ccc(-c2nnc(CNC(=O)C3CCCCC3)o2)cn1 19215278 MMDPHBJMZCWQKY-UHFFFAOYSA-N 300.362 2.637 0 40 DFAB c1csc(CN2CCC[C@H]2c2nnc(-c3cnccn3)o2)c1 19343473 KZPAMFKWGJCIFL-ZDUSSCGKSA-N 313.386 2.925 0 40 DFAB Cc1cccc2nc(CN(CCO)Cc3cccs3)cn12 20235977 XTWZNHZYBLUEBR-UHFFFAOYSA-N 301.415 2.699 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 22506751 DLRGOSSSKFDPSK-UHFFFAOYSA-N 313.332 2.666 0 40 DFAB Cc1ccsc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C 22682041 LUASFMPQWFFGPO-OAHLLOKOSA-N 302.443 2.959 0 40 DFAB Cc1ccc(OCC(=O)NCc2cc(-c3ccco3)on2)cc1 22768579 DVVLBUHUCGQMKF-UHFFFAOYSA-N 312.325 2.938 0 40 DFAB O=C(NCc1ccccc1)c1n[nH]nc1Nc1cccc(F)c1 23125472 STFIIRNCDRFOCK-UHFFFAOYSA-N 311.320 2.617 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1cccs1)C2=O 23424162 JRGCHVBHLFKMSP-UHFFFAOYSA-N 321.446 2.638 0 40 DFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccccc2)cc1 24209427 FOOHRHLXEQFEHV-LJQANCHMSA-N 324.424 2.798 0 40 DFAB Cc1noc(C)c1CC(=O)OCc1nc(-c2cccs2)no1 24267609 QMHDZROJXUSNOZ-UHFFFAOYSA-N 319.342 2.689 0 40 DFAB C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)[C@H]1CCCO1 27908121 WBROPWHKNXLVOE-IINYFYTJSA-N 304.321 2.778 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(C)s1)CC(C)C 31705958 QGBOQYDQHRSQFV-GFCCVEGCSA-N 312.435 2.947 0 40 DFAB O=C(NCCc1ccncc1)c1cc(-c2ccc(F)cc2)[nH]n1 38488926 MWLMCNZZYNYIOY-UHFFFAOYSA-N 310.332 2.583 0 40 DFAB Nc1nc(Cl)cc(NCCCN2CCc3ccccc32)n1 40071575 JBSNOZBDLDLXAY-UHFFFAOYSA-N 303.797 2.577 0 40 DFAB CSc1ncccc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 40107579 BWOXEGYAVOMSBA-STQMWFEESA-N 307.463 2.511 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 42646579 DOIZRBDOHWEVLN-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(c3ccccn3)C2)o1 47815923 MQDPCGVEOIDUOD-HNNXBMFYSA-N 313.401 2.858 0 40 DFAB O=C(O)c1cnc(CCc2ccccc2)nc1N1CCCCC1 49469275 MDONGCATUFZHEQ-UHFFFAOYSA-N 311.385 2.950 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 51230992 QWDRXYWDIVDDJQ-CYBMUJFWSA-N 301.390 2.518 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(Cl)ccc1O 56952973 OCTUBAAWQSAAEH-GFCCVEGCSA-N 321.764 2.673 0 40 DFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 58899476 AIPHCEHYJACCIO-GASCZTMLSA-N 320.481 2.736 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccccc2-n2cncn2)c1 69489282 JKMRWZNAJOHULU-GJZGRUSLSA-N 310.405 2.512 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)n1C1CC1 69929931 QXFPGDSBUPGHLE-MRXNPFEDSA-N 312.417 2.941 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 71796681 MFNJNDLRUIAZGF-GFCCVEGCSA-N 304.419 2.725 0 40 DFAB O=C([C@H]1CCOC1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 71834675 DJECQGQULYQLKK-ZDUSSCGKSA-N 314.360 2.959 0 40 DFAB C[C@@H](CN(C)c1ccccc1)Nc1cc(=O)n2ccccc2n1 71841038 CVXMVVYWVHYHPY-AWEZNQCLSA-N 308.385 2.631 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)Cc2cccs2)n1 71870003 XKABFGJRRRNBAD-CQSZACIVSA-N 303.431 2.795 0 40 DFAB C[C@H](NC(N)=O)C(=O)Nc1cccc(Sc2ccccc2)c1 71888332 ZHTWFAJIYSBDQT-NSHDSACASA-N 315.398 2.833 0 40 DFAB CC(C)CN(C(=O)c1cccc(CN2CCOCC2)c1)C1CC1 71908113 GQMWOSNZMRQARW-UHFFFAOYSA-N 316.445 2.779 0 40 DFAB Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cnn3c2CCCC3)c1 72159329 JYRAPEGMDCRFHZ-CQSZACIVSA-N 312.417 2.626 0 40 DFAB O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1ccncc1 72255191 RVHOEAQAYUFJNI-IRXDYDNUSA-N 311.385 2.649 0 40 DFAB CC(C)c1nnc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 72299956 KGXHXQZFCPVTLH-GFCCVEGCSA-N 317.393 2.833 0 40 DFAB O=C(CCn1ncc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72369496 QJQHZBYQRRVRLZ-OAHLLOKOSA-N 323.400 2.556 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccnc2c(F)cccc12 72401630 XWFZSSPCHCQDSF-VXGBXAGGSA-N 302.305 2.669 0 40 DFAB O=C1SCCN1CN1CCO[C@H](c2ccccc2Cl)C1 78440733 XHUFKSSSMANBFQ-ZDUSSCGKSA-N 312.822 2.840 0 40 DFAB Cc1n[nH]c(SCCC(=O)Nc2nc(C(C)C)cs2)n1 78965775 DHXVVWRFABCJJT-UHFFFAOYSA-N 311.436 2.814 0 40 DFAB COc1cccc(C2(CNC(=O)OC(C)(C)C)CCNCC2)c1 79034471 AHIKTTZLCLSOBP-UHFFFAOYSA-N 320.433 2.841 0 40 DFAB COC(=O)c1ccc(NC(=O)NCc2ccn(C)c2)cc1Cl 81631939 SYTABHOTOISYIS-UHFFFAOYSA-N 321.764 2.787 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccncc1 83967518 HXWBQPHFIQHJDT-GFCCVEGCSA-N 304.777 2.861 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)NCc1nc(C2CC2)no1 84718220 ZKJWPWORQZLCEV-VIFPVBQESA-N 318.402 2.837 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1csc(C2CC2)n1 84736410 NAGSSPVGADPGBU-DOMZBBRYSA-N 307.463 2.757 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(Cc1nc(C)c(C)s1)CC2 84800893 RKJVZBFFERRCCU-KBPBESRZSA-N 310.463 2.512 0 40 DFAB Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1 89656257 OGXNQJJCPHZKCA-LBPRGKRZSA-N 319.382 2.764 0 40 DFAB FC(F)(F)[C@@H]1CCc2nnc(CNC3CCCCC3)n2C1 89818459 VWOQLJDQEUTIQN-SNVBAGLBSA-N 302.344 2.825 0 40 DFAB NCc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1 94573678 YCCVAHHLAFVBAK-UHFFFAOYSA-N 321.174 2.866 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)c1 95405910 YMCNKEZKHSRHAW-CABCVRRESA-N 317.433 2.661 0 40 DFAB O=C(Cn1ccnc1)Nc1cc(Cc2ccccc2)ccc1O 95443701 NXOJCBSTBMXWSL-UHFFFAOYSA-N 307.353 2.818 0 40 DFAB Cc1cc2c(cc1C)[C@@H](NC[C@@H](O)c1cnn(C)c1)CCCO2 95968541 TWZNRCMIBASLOP-DLBZAZTESA-N 315.417 2.574 0 40 DFAB COCCn1cc2c(n1)[C@@H](Nc1ccnc(C3CC3)n1)CCC2 96002466 LSYWXHPBOAKVLB-AWEZNQCLSA-N 313.405 2.686 0 40 DFAB CC[C@H]1CCC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 96010950 PEWJTLIUHFMBBJ-HOTGVXAUSA-N 324.465 2.794 0 40 DFAB c1csc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)c1 96056232 AXBADEOAZKYHTK-BHYGNILZSA-N 306.475 2.681 0 40 DFAB O=C(C1CCCC1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238407 ROTWDWXPRRWXAA-IBGZPJMESA-N 312.413 2.832 0 40 DFAB CCO[C@H]1C[C@@H](OC(=O)CCc2cnn(C)c2)C12CCCC2 96420402 UGRIVIMETKKMFS-LSDHHAIUSA-N 306.406 2.634 0 40 DFAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCC[C@H](O)C1 96422055 ZLGRWOMYSYASSV-LBPRGKRZSA-N 320.780 2.514 0 40 DFAB COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c[nH]nn2)cc1 96423933 GBALQBWXTYGDHJ-GFCCVEGCSA-N 322.368 2.971 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCS[C@@H](C(C)C)C2)ccc1F 96432259 RTJWHOVTBVHLOZ-OAHLLOKOSA-N 324.421 2.998 0 40 DFAB Cc1nnc([C@@H](C)OC(=O)c2c(F)c(F)cc(F)c2F)o1 96449336 WTXBCPWZVIYQAZ-SCSAIBSYSA-N 304.199 2.852 0 40 DFAB O=C(NCC1(c2ccc(F)cc2)CC1)N1CC[C@]2(CCOC2)C1 96461946 LPXATHBMMKKDBL-KRWDZBQOSA-N 318.392 2.679 0 40 DFAB C[C@@H]1OCC[C@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 96483989 FEYNKBZKVIZKDC-BSAZHYLBSA-N 308.428 2.631 0 40 DFAB C[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F 96484350 YDMLKFFQWJASGX-ZBYUQBLASA-N 310.388 2.603 0 40 DFAB CCn1cnnc1CNC(=O)c1ccnc(SC(C)(C)C)c1 97048033 CBBMGXFEHMEUQG-UHFFFAOYSA-N 319.434 2.514 0 40 DFAB Cc1cc2occ(CC(=O)N[C@H]3CCc4nccn4C3)c2cc1C 97197815 WHWJPKCNLCTDRT-HNNXBMFYSA-N 323.396 2.920 0 40 DFAB CO[C@@H](C(=O)Nc1ccccc1-n1ccnn1)c1ccccc1 97236538 NSFHDYAUCOUPNR-MRXNPFEDSA-N 308.341 2.594 0 40 DFAB COc1ccc(CN/C=C2/C(=O)Nc3ccccc32)cc1OC 100309680 MAPNGJKZYXATEI-SDNWHVSQSA-N 310.353 2.787 0 40 DFAB CS(=O)(=O)CC1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 130132354 JYZQPKJPINMUHE-MNOVXSKESA-N 313.385 2.522 0 40 DFAB CS(=O)(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 195568269 BQSKMEGCTCVDEO-UHFFFAOYSA-N 319.361 2.664 0 40 DFAB Cc1cc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)no1 211081457 ZQVFQIISJGTYCK-UHFFFAOYSA-N 316.338 2.799 0 40 DFAB COCCCNC(=S)Nc1ccc(OC)c2ncccc12 225284370 BUSGRUFLNUXJRF-UHFFFAOYSA-N 305.403 2.566 0 40 DFAB CO[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2cccn2C1 247889749 STNFJRCDJFIGEW-MRXNPFEDSA-N 321.380 2.707 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@H]2c2cccc(Cl)c2)cc1 252516042 PNUSQSAOUXUMJN-OAGGEKHMSA-N 321.829 2.915 0 40 DFAB Cc1nccnc1CC[C@H]1COCCN1Cc1cccs1 257236771 HDSHIPODEVHION-AWEZNQCLSA-N 303.431 2.680 0 40 DFAB Cc1nc([C@@H]2CCNC2)cc(N2CC3(CCCCC3)OC2=O)n1 257320015 VUZUZWGWDUVHBT-CYBMUJFWSA-N 316.405 2.521 0 40 DFAB CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(CO)c(F)c2)CCO1 272815482 MNGLHICGUDDVLU-CXAGYDPISA-N 323.408 2.776 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 408603209 FWDRDJWJKVPUOH-UHFFFAOYSA-N 310.419 2.564 0 40 DFAB CC(C)CCn1nccc1NC(=O)C[C@H](N)c1ccccc1 564991559 JNRFMVKGRGGOJI-HNNXBMFYSA-N 300.406 2.958 0 40 DFAB O=C(N[C@H]1C[C@H]2C[C@H]1CN2Cc1ccncc1)c1ccsc1 1565548070 QNZFQEFWPGORCR-XHSDSOJGSA-N 313.426 2.536 0 40 DFAB CSc1nc(C)cc(N2CC(Cn3ccnc3C(C)C)C2)n1 2087126162 NMMHSOXHBISUHK-UHFFFAOYSA-N 317.462 2.963 0 40 DFAB COC(=O)c1ccnc(NC(=O)c2cc3c(F)cccc3[nH]2)c1 72284930 FLLGTRSZKRORSQ-UHFFFAOYSA-N 313.288 2.741 0 40 DFAB CN1[C@H]2CC[C@H]1CC(OC(=O)N1Cc3ccccc3NC1=O)C2 103645320 NWXCDQHBVVPPTL-STQMWFEESA-N 315.373 2.796 0 40 DFAB O=C(O)c1ccc(C(=O)Nc2ccccc2Cl)c(C(=O)O)c1 168148 ZIPVTUOORICYQJ-UHFFFAOYSA-N 319.700 2.989 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 249085 YBESPLHEOCGMTK-DGCLKSJQSA-N 313.419 2.561 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)NCCc2csc(C)n2)C12CCC2 78951534 RSNWZFCBCPEISC-UONOGXRCSA-N 323.462 2.641 0 40 DFAB NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 3338089 AWKQACKVXPIYQE-UHFFFAOYSA-N 317.848 2.894 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@@H]2O 4803675 AKRBLZKRYPEVIK-PEMPUTJUSA-N 304.430 2.850 0 40 DFAB endogenous,in-man CCC[C@H](C)NC(=O)Cn1c(S)nnc1-c1cccc(C)c1 24463648 HPBDSJHSQMBURZ-LBPRGKRZSA-N 318.446 2.847 0 40 DFAB CCCc1nc(C)c(C(=O)NCc2ccnc(N(C)C)c2)s1 43039889 BNRLFJUXRIAAOC-UHFFFAOYSA-N 318.446 2.795 0 40 DFAB Cc1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1Cl 24535612 JEKLROZXHXUWOQ-UHFFFAOYSA-N 321.764 2.679 0 40 DFAB COc1ccccc1CN[C@@H](C(=O)NC1CC1)c1ccccc1 24517661 SRKBFEMECFXKFE-GOSISDBHSA-N 310.397 2.805 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1ccc(F)cc1Br 35300830 BFWDQRLKSDODEH-LLVKDONJSA-N 302.143 2.637 0 40 DFAB COc1cc(NC(=O)CNc2cccc(F)c2)cc(OC)c1 9494379 SGXOJXJFFLEJAL-UHFFFAOYSA-N 304.321 2.894 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C1CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105867 KVWUWGRZVDRLTH-QBPKDAKJSA-N 300.402 2.627 0 40 DFAB CCN(C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)C(C)C 97141720 SYTDQLAKSWANPP-ZIAGYGMSSA-N 300.468 2.823 0 40 DFAB O=C(CSc1nc2ccccc2c2nnnn12)c1ccccc1 58046910 WGRGEHVHBMLJMP-UHFFFAOYSA-N 321.365 2.648 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(C)c(O)c2)c1 12689105 HAEWYEAFZIBYTR-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 27650235 XMJLMYSWFBFHCV-OAHLLOKOSA-N 323.396 2.998 0 40 DFAB CCCNC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103150581 MPBIWQJMULHYHI-CPWXYTRJSA-N 322.840 2.753 0 40 DFAB Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)c(=O)ccn1C 44917139 QMYNXDOLIMQGCR-UHFFFAOYSA-N 324.739 2.504 0 40 DFAB COc1ccc(N(C)C(=O)Cc2coc(-c3ccccc3)n2)cn1 58356504 SQKURXNERUSAJC-UHFFFAOYSA-N 323.352 2.951 0 40 DFAB CCCCCCNC(=O)c1c(-n2cnnn2)sc2c1CCC2 36365269 GWQXXXCUFVOAAY-UHFFFAOYSA-N 319.434 2.523 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccccc1Cl 59035627 WQWKWYMSQVCQJO-CQSZACIVSA-N 318.808 2.950 0 40 DFAB CCC(CC)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3316709 WYRYWUXZWUIAED-UHFFFAOYSA-N 323.364 2.637 0 40 DFAB Cc1cccc(NC[C@H]2CCN(Cc3nnsc3Cl)C2)n1 97200894 MVOSXJQHLXBYHI-LLVKDONJSA-N 323.853 2.829 0 40 DFAB COc1ccccc1OCCNC(=O)c1cccc2c1ccn2C 72402579 RPJNGRIJUHNMIV-UHFFFAOYSA-N 324.380 2.996 0 40 DFAB Cc1cc(NC(=O)CCN(C)CCCOc2ccccc2)no1 29854845 OMCOPRGKFSSUQQ-UHFFFAOYSA-N 317.389 2.713 0 40 DFAB O=C(O)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 13092197 HLBJCLJLDOEFEG-UHFFFAOYSA-N 305.717 2.674 0 40 DFAB O=C(CCc1ccncc1)Nc1ccccc1Cn1cccn1 95350942 HRVXYIRWUOXPQO-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB CC(C)c1nnc(SCc2nc(-c3ccoc3)no2)n1C 84631253 XVBHCQBQYMUDPK-UHFFFAOYSA-N 305.363 2.874 0 40 DFAB O=C(NCc1nnc2ccccn12)c1cc(Cl)cc(Cl)c1 14018381 VQSHZKPBEHYSNQ-UHFFFAOYSA-N 321.167 2.966 0 40 DFAB C[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 84697611 CSDCIZVAPJPMLB-WMZOPIPTSA-N 316.445 2.536 0 40 DFAB COc1cc(C(=O)NCc2ccc(C)o2)cc(OC)c1OC 4616622 AMDNDGBHIUXHCB-UHFFFAOYSA-N 305.330 2.544 0 40 DFAB Cc1ccc(CN(C)Cn2nc(-c3cccs3)oc2=O)cc1 9365373 QMSXXXKOWRYYAF-UHFFFAOYSA-N 315.398 2.963 0 40 DFAB C[C@H](OC[C@H](O)CNC[C@@H]1CCCO1)c1ccc(Cl)cc1 6936543 KDOQIASTJZFSMJ-MAZHCROVSA-N 313.825 2.547 0 40 DFAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1CC1 4987367 RZZTZRHBXUZTFC-MRVPVSSYSA-N 307.350 2.635 0 40 DFAB CCn1c(Sc2ccc(C=O)o2)nnc1-c1ccncc1 408555018 GTBDUXDURKHLCG-UHFFFAOYSA-N 300.343 2.917 0 40 DFAB CCNC(=O)[C@H](C)Nc1ncnc2sc3c(c12)CCCCC3 8193544 IYQIABYFMRGPQT-JTQLQIEISA-N 318.446 2.897 0 40 DFAB C[C@H](NC(=O)Nc1cccc(F)c1F)C(=O)OC1CCCC1 81611103 HJVBXOSCMYWRKU-VIFPVBQESA-N 312.316 2.961 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCCC[C@H]1Cn1cccn1 70041002 BNNDOJMTMMYPFA-WFASDCNBSA-N 316.405 2.673 0 40 DFAB O=C(NCCc1cccc(-c2ccccc2)c1)N1CC[C@@H](CO)C1 95416279 QYLRZXBABZXQMR-QGZVFWFLSA-N 324.424 2.920 0 40 DFAB COC[C@H](C)NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 69456369 RGJKGMRZFOXCJH-SWLSCSKDSA-N 310.825 2.628 0 40 DFAB CN(CCCc1nnnn1-c1ccccc1)Cc1ccccc1 69455977 BFPLQXSQBLOWOS-UHFFFAOYSA-N 307.401 2.727 0 40 DFAB Cc1cc(C)n(C[C@H](C)NC(=O)CO[C@H]2CCCC[C@@H]2C)n1 71903810 CWXRTDOLHWOITP-NOLJZWGESA-N 307.438 2.600 0 40 DFAB CN(C[C@@H](O)c1ccc(F)cc1)c1nccc(C(F)(F)F)n1 69568240 RRMXXKHOWBIQPG-LLVKDONJSA-N 315.270 2.804 0 40 DFAB C[C@H](C(=O)N1CCCC1)N1CCC[C@H](CN2CCCCCC2)C1 69590583 JPGVKJDCIDRRAT-QZTJIDSGSA-N 321.509 2.585 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)Cc1cc(Cl)ccc1Cl 69529224 OQIWAJGRJCRZJJ-UHFFFAOYSA-N 312.200 2.928 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCC[C@H](n2ccnc2)C1 69660209 OARICBBCILVVRG-LBPRGKRZSA-N 302.403 2.694 0 40 DFAB C[C@H](NCc1nc(Cc2ccccc2)no1)[C@H](C)n1cccn1 69777819 NGGYONIAXBWXQX-KBPBESRZSA-N 311.389 2.596 0 40 DFAB C[C@@H](NCCCn1ccnc1)c1ccc(N2CCCC2=O)cc1 95419103 LHXZNJUFMPGCOB-OAHLLOKOSA-N 312.417 2.751 0 40 DFAB CCOC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1C 8715296 REWFGEYIBQLSNC-UHFFFAOYSA-N 323.356 2.891 0 40 DFAB CC(C)[C@@](C)(NC(=O)c1sccc1Br)C(=O)O 97036325 SRKPVAMYJXGQCV-LLVKDONJSA-N 320.208 2.740 0 40 DFAB COc1ncncc1NC(=O)N(C1CC1)[C@H](C)c1ccco1 95416178 YJYCJOLOJPOTAU-SNVBAGLBSA-N 302.334 2.836 0 40 DFAB COc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CCc2nccn2C1 72254871 QBPKKYHUPIEBBJ-UONOGXRCSA-N 313.401 2.517 0 40 DFAB CN(CCc1ccccn1)[C@H]1CCN(c2ccccc2F)C1=O 95958674 YPLUZMGPSLBHQK-KRWDZBQOSA-N 313.376 2.501 0 40 DFAB Cc1cccc(-c2[nH]ncc2CNc2ccc(OCCO)nc2)c1 95973744 XPTGFOXFSAPMFL-UHFFFAOYSA-N 324.384 2.763 0 40 DFAB Cc1ccc(CN2CCN(c3ccncc3Cl)CC2)nc1 95980413 YVUKPHNXDBNMPX-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB COC[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CCO1 89409986 JYAQZTICPRXHFZ-ZDUSSCGKSA-N 308.378 2.801 0 40 DFAB CCn1nc(C)c(NC(=O)NCc2cccc(COC)c2)c1C 89482210 AOLKYLOXYLFRBE-UHFFFAOYSA-N 316.405 2.988 0 40 DFAB COCc1cc(C(=O)Nc2c(F)cccc2NC2CC2)no1 89420319 ZWCJRBGLKGUOSB-UHFFFAOYSA-N 305.309 2.787 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)CCCNC(=O)C1CC1)C1CC1 89689149 NGNKNKVKQQPAPE-SFHVURJKSA-N 314.429 2.869 0 40 DFAB CC(C)c1n[nH]c(NC(=O)CCc2nc(C3CCCC3)no2)n1 89891102 PMAVWRAQQQEKES-UHFFFAOYSA-N 318.381 2.540 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ccccc1O 21932644 XCXFTHLTGRYXLZ-UHFFFAOYSA-N 313.353 2.712 0 40 DFAB Cc1nn(C)cc1NC(=O)Cc1ccc(Br)cc1 32610758 GAJCFNJROPUSSC-UHFFFAOYSA-N 308.179 2.672 0 40 DFAB Cc1ccc(C2=NO[C@H]3CN(Cc4ccncc4C)C[C@@H]23)cc1 72343277 VKNIUXSAIYILOP-MSOLQXFVSA-N 307.397 2.933 0 40 DFAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(C)C)c(F)c21 71329158 NIBOFCRBNOCWKJ-UHFFFAOYSA-N 310.300 2.818 0 40 DFAB Cc1nnc([C@H](C)NCC2(N3CCSCC3)CCCCC2)o1 79030944 KWPMTIGQGJAUCK-ZDUSSCGKSA-N 324.494 2.780 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(Cl)ncn2)C1 40434293 DWPXQRGREYRYNW-JTQLQIEISA-N 312.801 2.624 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(OC)c(Br)c1 79028907 LEJVBULRLZCLPS-MRVPVSSYSA-N 317.183 2.614 0 40 DFAB CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72376782 MMHKUBXMDRAHOP-HNNXBMFYSA-N 314.364 2.938 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)c1cn[nH]c1-c1ccccc1 80463151 HBAPUELWNJSSOL-UHFFFAOYSA-N 323.400 2.859 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1OC 224792738 HLZKDCBKWQGIGB-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(C2CC2)on1 80925903 FTBIZUKGYLKBOK-UHFFFAOYSA-N 314.320 2.540 0 40 DFAB COc1cccc2c(N3CCC[C@@H](CC(=O)O)C3)nccc12 320161912 XJEVAHZPMQXXCJ-LBPRGKRZSA-N 300.358 2.935 0 40 DFAB CCc1cc(CNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)[nH]n1 83232197 JOIQDLDKRZFBBJ-CHWSQXEVSA-N 300.406 2.964 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2cccc(C)c2C)n1 224189067 JMXBYBGDDJZWCQ-UHFFFAOYSA-N 313.405 2.790 0 40 DFAB Cc1ccccc1C(=O)NCc1nccc(N2CCCCC2)n1 224158216 JBGMZUVKCBGQPW-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB COCCOC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 81263523 NXYGKAMPNSOXFU-ZDUSSCGKSA-N 311.809 2.774 0 40 DFAB C[C@H](OC[C@@H](O)CNC(=O)[C@@H]1CC=CCC1)c1ccccc1 195529591 GIWRRFGRJBSXMM-UAGQMJEPSA-N 303.402 2.598 0 40 DFAB COC(=O)CN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CC1 84190713 ADLHKQWWLGSORZ-UHFFFAOYSA-N 318.760 2.666 0 40 DFAB Cc1ccc(C[C@@H](NC(=O)c2csnn2)c2ccccn2)cc1 96406448 DDBRWAVTJGJZBN-OAHLLOKOSA-N 324.409 2.955 0 40 DFAB NC(=O)N1CCCN(CCCc2cccc3ccccc23)CC1 96413368 DTVJCXSMZRITFA-UHFFFAOYSA-N 311.429 2.859 0 40 DFAB O=C1OCCN1CCCSc1ncccc1Br 96411948 AMSBWHOASLAZBK-UHFFFAOYSA-N 317.208 2.779 0 40 DFAB C[C@H](C1CC1)n1nccc1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 96418198 DCINFJDHOUJXTA-BMIGLBTASA-N 315.348 2.935 0 40 DFAB CCN1CC[C@@H]2OCCC[C@]2(COCc2cccc(C)n2)C1 96040161 UPWTYKSDFTWTMY-ZWKOTPCHSA-N 304.434 2.798 0 40 DFAB Cc1ccc(CC(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)cc1 97235304 ROEIPCALZFFEGU-NSHDSACASA-N 318.398 2.878 0 40 DFAB C[C@H]1CN(C(=O)NCc2nccn2C)CC[C@@H]1c1ccccc1 96440541 SJAMHWDPLODASE-HOCLYGCPSA-N 312.417 2.755 0 40 DFAB C[C@H](CCNCc1cc(F)ccc1Br)[S@](C)=O 90189416 KOOUQGKYZULLTJ-VVVCHXIZSA-N 322.243 2.835 0 40 DFAB Fc1cccc(N2CCC[C@]3(CN(CC4CC4)CCO3)C2)c1 96049091 BCPGIXZXSWIMHS-SFHVURJKSA-N 304.409 2.907 0 40 DFAB O=C(CC1CC1)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257233859 GRBUUSVCVBZSOI-INIZCTEOSA-N 312.413 2.986 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)s1 257327115 XAAABMFVKMQXTK-ZDUSSCGKSA-N 318.446 2.507 0 40 DFAB CCN1CCOC[C@@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 257254178 KCAWDDUWPMCWIG-INIZCTEOSA-N 300.402 2.812 0 40 DFAB CNC(=O)c1cccc([C@@H]2CN(C3CCCCC3)CCN2C)c1 257331119 XRLJLCIJEVTERX-SFHVURJKSA-N 315.461 2.667 0 40 DFAB Cc1cc(NS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)cnc1O 585140608 HIUAFLNRURHIJA-SNVBAGLBSA-N 320.361 2.663 0 40 DFAB O=C1CC[C@]2(CCCN(CC3CC(F)(F)C3)CC2)N1CCF 585100564 NSGQAFHXGIWAEB-HNNXBMFYSA-N 318.383 2.848 0 40 DFAB COCc1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)[C@@H]2C 585097593 NCSIUEAWMCKGPL-SNVBAGLBSA-N 324.787 2.794 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccccc2F)n1 48333719 REGFTGWIERMLMF-GFCCVEGCSA-N 303.381 2.634 0 40 DFAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 76041538 ILXMVDKHINHVHJ-HOTGVXAUSA-N 324.380 2.615 0 40 DFAB Cc1cccnc1CNC(=O)NC[C@@H](C)Oc1ccccc1F 78952714 BMPPXZULZJPHLQ-CYBMUJFWSA-N 317.364 2.796 0 40 DFAB CCc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc32)cc1 78925359 ZUAZXMLHLDINSW-ZDUSSCGKSA-N 308.385 2.871 0 40 DFAB Cc1cc2nc3s/c(=C\c4cccc(O)c4)c(=O)n3c2cc1C 3200583 LWPSMAONULHDLO-SXGWCWSVSA-N 322.389 2.779 0 40 DFAB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NC1CCCC1 8159637 VMPPRVBJTBNKCP-WQLSENKSSA-N 315.329 2.569 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5512015 XXAXLRWIFNQUJA-DZGCQCFKSA-N 313.401 2.864 0 40 DFAB O=C(NCCc1ccc(OC(F)F)cc1)c1cccnc1S 11668864 IGDVWRUFZGBOPQ-UHFFFAOYSA-N 324.352 2.944 0 40 DFAB CCn1c(N2CCC[C@H](C(=O)NC(C)C)C2)nc2ccccc21 13566360 NZIQQZSGBIVGEK-AWEZNQCLSA-N 314.433 2.797 0 40 DFAB CCc1c(C)n(C[C@@H]2CCCO2)c2nc3ccccc3n2c1=O 14165383 DQQUPYIXPUKHQY-ZDUSSCGKSA-N 311.385 2.699 0 40 DFAB CC(C)N(C(=O)[C@@H](C)On1nnc2ccc(Cl)cc21)C(C)C 15393002 MRRJZLUTDMYMSA-LLVKDONJSA-N 324.812 2.547 0 40 DFAB c1cc2c(c3c1C[C@@H]1NCCc4cc5c(c-3c41)OCO5)OCO2 338150 UXVJNYDGHSTBCL-NSHDSACASA-N 309.321 2.554 0 40 DFAB biogenic,in-vitro CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1 643564184 SXMOXBRJCVKZDA-HNNXBMFYSA-N 304.434 2.936 0 40 DFAB Fc1ccc(CN2CC(Cn3cc(Br)cn3)C2)cc1 1889130387 IKZWUGOQKUCHON-UHFFFAOYSA-N 324.197 2.917 0 40 DFAB Nc1cc(N)nc(SCc2cc(-c3cccs3)on2)n1 11769755 YFFPPCFQNMOQRV-UHFFFAOYSA-N 305.388 2.650 0 40 DFAB CCO[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1Cc1ccccc1 1565554670 XENPKGVLXCNFSH-IRXDYDNUSA-N 317.429 2.540 0 40 DFAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCCC1 11856769 MISQZUUAKJHSQM-UHFFFAOYSA-N 317.316 2.594 0 40 DFAB COCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889804994 QJMPNYXWZNPOLW-UHFFFAOYSA-N 319.792 2.636 0 40 DFAB O=C(/C=C/c1ccsc1)NC[C@H](OCCO)c1ccsc1 585150727 RRYSBOFPDFSDSI-YUKKFKLSSA-N 323.439 2.689 0 40 DFAB CN(c1ncnc2c1ncn2C[C@H]1CCCO1)C1CCCCC1 2298048320 XMXSZXFRICNOMB-CQSZACIVSA-N 315.421 2.774 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F 7708291 VRDYFCIGMLXNIZ-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1cc(OC)cc(C(=O)NCCSC(F)(F)F)c1 40118570 DDEBTGGXULIORO-UHFFFAOYSA-N 309.309 2.687 0 40 DFAB c1csc(-c2n[nH]cc2CNC[C@H]2CCN(C3CC3)C2)c1 30907285 FVYIBSROUCZFGK-GFCCVEGCSA-N 302.447 2.712 0 40 DFAB Cn1c(=O)n(C)c2cc(C(=O)c3ccc(Cl)cc3)ccc21 51392261 GNUDOAYWWSJCKV-UHFFFAOYSA-N 300.745 2.761 0 40 DFAB CC(=O)N1CCC(NC(=O)CCCSc2ccccc2)CC1 32740442 DWMMNIZVURYBFA-UHFFFAOYSA-N 320.458 2.686 0 40 DFAB Cc1ccc(NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)cc1 32873963 NXYODDUXXPCFBW-LBPRGKRZSA-N 318.402 2.695 0 40 DFAB CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H](C)n2cncn2)c1 47000679 BDCHVPZNUOFRIT-CHWSQXEVSA-N 302.378 2.504 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c(O)c1 47816856 KEDJIKGMWMTFQZ-CYBMUJFWSA-N 304.390 2.676 0 40 DFAB CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)COCO2 78964518 XPFSEEUSFOJLBH-UHFFFAOYSA-N 303.280 2.968 0 40 DFAB CCS[C@@H]1CCCCN([C@@H](C)c2nc(-c3nc[nH]n3)no2)C1 78971227 OQPGSAVNMJLKMP-WDEREUQCSA-N 322.438 2.523 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2nc(C)sc2C)n1 79485544 BNTLFPJQRAFDLJ-UHFFFAOYSA-N 311.388 2.645 0 40 DFAB CCCCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1 2502458 QWYOJZCWTAZMDA-UHFFFAOYSA-N 306.391 2.563 0 40 DFAB COC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 1006638 WKJPTEMJTSPMCH-UHFFFAOYSA-N 316.309 2.710 0 40 DFAB COC(=O)c1ccc(OC(=O)c2ccccc2OC)c(OC)c1 1006498 FQLRKSALXGXILN-UHFFFAOYSA-N 316.309 2.710 0 40 DFAB C[C@H](NC(=O)CCn1cncn1)c1ccc(Cl)c(Cl)c1 54808622 KACBLJMHTDSOFW-VIFPVBQESA-N 313.188 2.852 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2F)c1 24257777 UREQELXHPZKAKD-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB Nc1ncc(Br)nc1N1CCC[C@H]1c1ccccn1 6733655 JQCDKLCWAMRVAS-JTQLQIEISA-N 320.194 2.558 0 40 DFAB NC(=O)CCCNC(=O)c1ccc(-c2ccccc2Cl)o1 42926682 RRIRLENMYHVJTP-UHFFFAOYSA-N 306.749 2.595 0 40 DFAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 12548210 ZOONBMBEBSUARO-UHFFFAOYSA-N 323.396 2.924 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 8216901 FETUCWUGUTWWLK-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB C[C@H](NC(=O)CN(C)Cc1ccc(F)cc1F)c1ccco1 25051878 HYGAUWQBNKCCFA-NSHDSACASA-N 308.328 2.867 0 40 DFAB COc1ccc([C@@H](C)NC(=O)COc2ccccc2OC)cc1 20495507 UURFMXDZOQHPEU-CYBMUJFWSA-N 315.369 2.960 0 40 DFAB CC(C)c1csc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 107146060 MEDKPJREUMHMCH-LYIQGSDWSA-N 307.419 2.908 0 40 DFAB COc1ccccc1OC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 57192984 BDTXQKRIMPEVIE-UHFFFAOYSA-N 324.336 2.702 0 40 DFAB CCn1cc(Br)cc1C(=O)Nc1nnc(C)s1 58174960 WCNZDAHUHLOMFO-UHFFFAOYSA-N 315.196 2.683 0 40 DFAB COC[C@@H](C)NC(=O)Cn1c(C)cc(-c2csc(C)n2)c1C 44896858 XMARKIFWKXKUJT-SNVBAGLBSA-N 321.446 2.688 0 40 DFAB Cc1nc(/C=C/C(=O)NCCOc2cccc(F)c2)cs1 27717426 HHYOJEHVLZFOBI-AATRIKPKSA-N 306.362 2.799 0 40 DFAB C[C@H](Oc1ccc(C(=O)Nc2nc[nH]n2)cn1)c1ccccc1 44977193 CPOHMDCMSIKJKQ-NSHDSACASA-N 309.329 2.592 0 40 DFAB CC(C)(C)c1nnc(COc2cc(Cl)ccc2C(N)=O)o1 58364484 XTBZBCRAEDIGCR-UHFFFAOYSA-N 309.753 2.698 0 40 DFAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCn2cccc2[C@H]1C 72297107 TZQQSZDMVHSFBC-IUODEOHRSA-N 314.433 2.620 0 40 DFAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCOCC1 2626291 ZSEBEKGQCODPJX-SNVBAGLBSA-N 308.428 2.636 0 40 DFAB NC(=O)c1ccsc1NC(=O)CSc1ccccc1F 3473352 QCRYHXGNKYPRAR-UHFFFAOYSA-N 310.375 2.717 0 40 DFAB O=c1c2ccccc2ncn1Cc1noc(-c2cccs2)n1 12944149 VENUOCKHYFBFLF-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB CC(C)CO[C@@H]1CCN(C(=O)Nc2ccnn2C(C)(C)C)C1 97164581 GJRBBIGYYWLTLV-CYBMUJFWSA-N 308.426 2.917 0 40 DFAB Cn1cc(CNCc2ccc3c(c2)OCO3)c(-c2ccncc2)n1 97159741 DOPWYWGNTZFDCM-UHFFFAOYSA-N 322.368 2.501 0 40 DFAB COc1cccc(C(=O)NCCN[C@@H]2CCCC[C@H]2C2CC2)c1 96003160 CZFJAPPNYKNONN-ZWKOTPCHSA-N 316.445 2.983 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1 4384066 YNLSFLXNPCHNOI-UHFFFAOYSA-N 311.341 2.887 0 40 DFAB Cc1nccc(N2CCN(C(=O)Nc3cscc3C)CC2)n1 97135493 ZMYDJWKGEDAICK-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB CC[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccccc1 14219562 JBNZRTLIMWUNSE-GFCCVEGCSA-N 317.370 2.652 0 40 DFAB O=C(CSc1ccccn1)NC1=NN(c2ccccc2)CC1 4624005 UGNPABCFQVFMHA-UHFFFAOYSA-N 312.398 2.514 0 40 DFAB O=C([C@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66688168 VODNWEDMOSGXEO-KGLIPLIRSA-N 313.756 2.558 0 40 DFAB COC(=O)COC(=O)c1sc(=S)n(-c2ccccc2)c1C 4888996 AJMFIQXEYRFLOZ-UHFFFAOYSA-N 323.395 2.907 0 40 DFAB Cc1ccc(Nc2nnc(S[C@@H](C)C(N)=O)s2)cc1C 6820681 ZUSWVJIEUZCGPD-VIFPVBQESA-N 308.432 2.864 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)Nc2ncc(C)s2)cc1 6868709 DMSAFPCLLNXFCZ-VMPITWQZSA-N 302.355 2.890 0 40 DFAB O=C(Cn1nnc2ccccc21)Nc1ccccc1OC(F)F 6999193 HBDLGYSXRGRDHP-UHFFFAOYSA-N 318.283 2.671 0 40 DFAB CCN1C(=O)/C(=C/c2cc(C)c(OC)c(C)c2)N(C)C1=S 409041564 APKLQPMXBXVFFO-LCYFTJDESA-N 304.415 2.732 0 40 DFAB O=c1oc(-c2ccco2)nn1Cc1ncc(-c2cccs2)o1 67428971 DCBDOGVBQPGEPK-UHFFFAOYSA-N 315.310 2.861 0 40 DFAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)c1 15831486 FZCFFAMVSFXNFX-INIZCTEOSA-N 316.401 2.694 0 40 DFAB CCCn1c(S[C@@H](C)C(=O)c2ccc(CC)cc2)n[nH]c1=O 7530446 FJJIDEZQQIYHMN-NSHDSACASA-N 319.430 2.907 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2Cc3ccccc3O2)c1 7961387 IUQRRSCKDXQHEN-INIZCTEOSA-N 311.337 2.724 0 40 DFAB CCCN(CC)CCNC(=O)c1occc1Br 81804354 MBDQKBWFJFWGFY-UHFFFAOYSA-N 303.200 2.504 0 40 DFAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N2CCC2)C1 71855145 KCTAVQULJLGASD-ZDUSSCGKSA-N 307.825 2.890 0 40 DFAB Cc1nc(S(=O)(=O)N(c2ccccc2)C2CCCC2)cn1C 69660916 CFPQQCHDIAFQBU-UHFFFAOYSA-N 319.430 2.866 0 40 DFAB Cc1cccc([C@H](C)NC(=O)c2cc(C(N)=O)cs2)c1C 71908953 YGCDMMCLDYTZPW-NSHDSACASA-N 302.399 2.955 0 40 DFAB COCCN(Cc1ccco1)S(=O)(=O)Cc1cccc(C)c1 71910735 BXFLWOKGMDFSDB-UHFFFAOYSA-N 323.414 2.566 0 40 DFAB COc1c(C)cnc(CSc2ncnc3c2cnn3C)c1C 71905486 UNUXPWQAPZGYQQ-UHFFFAOYSA-N 315.402 2.676 0 40 DFAB CCCc1nc(C)c(-c2nc(C(C)(C)NC(C)=O)no2)s1 71905152 PYZRSXDJAGMJQU-UHFFFAOYSA-N 308.407 2.825 0 40 DFAB COCCc1cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)n(C)n1 97238753 HRBWBQLGJAQUJQ-NWANDNLSSA-N 320.437 2.651 0 40 DFAB C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccccc1Br 97232658 VHWABUHMEYETLD-MFKMUULPSA-N 312.207 2.825 0 40 DFAB COc1ccc(CC(=O)Nc2cccc([C@@H](C)O)c2)cc1OC 8714211 MXRYKHXLCXMTTC-GFCCVEGCSA-N 315.369 2.938 0 40 DFAB CN(Cc1ccc(Cl)s1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 18898529 VRVXXQWEKLSZQZ-TXEJJXNPSA-N 324.833 2.742 0 40 DFAB COc1ccccc1/C=C/CN[C@H]1CCN(C(C)=O)C[C@@H]1C 84714705 UFJWGOHPDTYJLW-LRPCFIKCSA-N 302.418 2.555 0 40 DFAB COCc1ccc(C(=O)NCc2ccc(C(C)=O)c(C)n2)cc1 95448350 FCZKRMKVCIIWNI-UHFFFAOYSA-N 312.369 2.669 0 40 DFAB CONC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 25826037 SWOCDBNIGVLGTJ-UHFFFAOYSA-N 300.318 2.563 0 40 DFAB CC(C)Oc1ncccc1NC(=O)c1cccc(-c2ncn[nH]2)c1 95981617 GXJFLKGCAZKBLO-UHFFFAOYSA-N 323.356 2.906 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@H](N2CCCC2)C1 89783204 IZJSOJSVEJALPG-GVDBMIGSSA-N 302.393 2.626 0 40 DFAB O=C(NCCN[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 129211521 CYDAGAGUCKAIHU-QWRGUYRKSA-N 304.312 2.720 0 40 DFAB COC(CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)OC 3847456 QUBDABGAJOMQTH-ROUUACIJSA-N 301.386 2.670 0 40 DFAB biogenic O=C(NCc1ccc(Cl)cn1)N1CCCC[C@H]1c1cn[nH]c1 183466827 AYWFKUAMNDSGDX-AWEZNQCLSA-N 319.796 2.895 0 40 DFAB c1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)nc1 72378629 XKVHOOGISMIUHO-KRWDZBQOSA-N 305.385 2.999 0 40 DFAB COc1ccccc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 36357967 GBUKPZOSTHOKBF-NSHDSACASA-N 305.359 2.651 0 40 DFAB CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2COC)C1 77916037 UDCWFVVCBZROKK-UKRRQHHQSA-N 318.417 2.857 0 40 DFAB CCn1nc(C)c(CCC(=O)NCc2cccc(OC)c2)c1C 72240471 XPQSEDFXXGXBLC-UHFFFAOYSA-N 315.417 2.777 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1C1CCOCC1 329369333 LNEQBPKYPBSJLO-QGZVFWFLSA-N 311.385 2.661 0 40 DFAB Cc1ccc(NC(=S)NCCN(C)c2ccccc2)nc1 225572465 RKCNYXQFMMMTMX-UHFFFAOYSA-N 300.431 2.813 0 40 DFAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1 195530337 UBIUKTAEBXAJLR-SKDZVZGDSA-N 314.429 2.806 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(C)cc1C 69571386 ALPAMEUKJWXHOB-UHFFFAOYSA-N 312.369 2.924 0 40 DFAB O=C(NCc1nccc(N2CCCC2)n1)c1ccc(Cl)cc1 224149800 MUBPQEXYZLXQIW-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)N1CCCCCC1=O 227115558 OMHZYHXHENOONJ-NSHDSACASA-N 321.446 2.752 0 40 DFAB CC(C)NCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 193526877 TZYPLWQAUDXOQG-GJZGRUSLSA-N 300.805 2.897 0 40 DFAB Cc1cccc(NC(=O)NCc2ccnc(N3CCCC3)n2)c1 224200408 RNGOEVCBAJKITQ-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB CC[C@H](C(=O)NC(C)(C)CCS(C)(=O)=O)c1ccccc1 193347058 CSDWFNTVABXHMD-AWEZNQCLSA-N 311.447 2.510 0 40 DFAB COc1ccc(Br)cc1CC(=O)Nc1cc(C)n[nH]1 96436151 YJXFTJITDGZCPO-UHFFFAOYSA-N 324.178 2.670 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NCC(C)(C)C[C@@H](C)O 96440391 IZFJLDUFOLMRSF-QWHCGFSZSA-N 310.413 2.853 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccnc1)[C@@H]2C 96061982 FBMDDDLQRQRNIU-OAHLLOKOSA-N 313.449 2.695 0 40 DFAB O=C(NC[C@H]1CCOc2ccccc21)N1CCOC2(CCC2)C1 97230410 LRTCHWWBGIWMOB-CQSZACIVSA-N 316.401 2.517 0 40 DFAB C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccn1 97096217 VWUYCSNQHYPOCQ-GFCCVEGCSA-N 322.372 2.760 0 40 DFAB CN(C)c1cc(C(=O)N2CCOc3ccc(Cl)cc32)ccn1 96425817 AYNRTBWOMCUWNS-UHFFFAOYSA-N 317.776 2.840 0 40 DFAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)n2cncn2)o1 96433277 RXKBHKQZSLLYCY-GZBFAFLISA-N 316.405 2.994 0 40 DFAB Cc1cnc(C(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cn1 96425776 RNFJXSYIKAZCFF-AVVWSFFYSA-N 317.433 2.985 0 40 DFAB CCOC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2cnn(CC)c21 96100098 OTXYKOBSMMLLJL-ZBFHGGJFSA-N 317.433 2.722 0 40 DFAB CC(C)[C@H](CCO)NC(=O)Nc1ccc(OC(F)F)cc1 96433749 PAYGYGZMXQPYOI-LBPRGKRZSA-N 302.321 2.817 0 40 DFAB CN(C(=O)CC1=CCCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96422456 GRJOZPCZBLQMNS-CABCVRRESA-N 313.463 2.691 0 40 DFAB FC(F)(F)c1cnc(N2CCOCC2)c(Br)c1 95096671 MTULYWGXFBJVPI-UHFFFAOYSA-N 311.101 2.700 0 40 DFAB COc1cccc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCC2CC2)c1 247925704 ZFKDCVGOUUPRQW-FHWLQOOXSA-N 317.429 2.854 0 40 DFAB c1cncc(CN2CCC[C@@H](c3cncc(-c4ncc[nH]4)n3)C2)c1 257212082 CBVVLRNDDOLBQY-OAHLLOKOSA-N 320.400 2.641 0 40 DFAB C[C@H](c1nc(-c2cccs2)no1)N1CCc2cncnc2C1 69665148 MRJHSQAXHBBJGK-SNVBAGLBSA-N 313.386 2.707 0 40 DFAB O=C(c1cnn(Cc2c(F)cccc2Cl)c1)N1CCCC1 69623269 BJAGZJGOAKDRQZ-UHFFFAOYSA-N 307.756 2.960 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(-c2ccnn2C(C)C)nc(C)n1 257304440 SLQTXWNRQNYBAH-INIZCTEOSA-N 313.405 2.913 0 40 DFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN1 953025683 CUMCYXIKQWVUDQ-IBGZPJMESA-N 309.413 2.502 0 40 DFAB Cn1cc([C@@H](OC(=O)c2ccncc2Cl)C(F)(F)F)cn1 75029791 XSCBQENCZICBKJ-SNVBAGLBSA-N 319.670 2.929 0 40 DFAB O=C(/C=C/c1cnccn1)N[C@@H](c1ccccc1)c1ccncc1 84525060 FYZXLOSQAQBIRM-GHOSXJJBSA-N 316.364 2.791 0 40 DFAB CCOc1cc(CNC(=O)c2cc(F)cc(F)c2)ccc1O 77431063 UMGYXRBLTHYJHR-UHFFFAOYSA-N 307.296 2.999 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)CCO2)[C@H](O)c1ccc(F)cc1 95430000 MKBLSVSTFWPTDM-DIFFPNOSSA-N 315.344 2.613 0 40 DFAB C[C@@H](NCc1ccccc1Br)c1nnc2n1CCC2 96812206 PLLBVYXUGRKQFQ-SNVBAGLBSA-N 321.222 2.838 0 40 DFAB O=C(c1cccs1)N1CCC(n2cnc3cccnc32)CC1 12117884 GKZGCDXCIYUHFQ-UHFFFAOYSA-N 312.398 2.970 0 40 DFAB CCCCS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2)n1 14225603 PUWMRKALNGSXRQ-UHFFFAOYSA-N 311.382 2.612 0 40 DFAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1 15860120 WNGCXJPJLGPQGT-MRXNPFEDSA-N 316.401 2.694 0 40 DFAB CNC(=O)SC1=Nc2cc(Cl)ccc2[S@@](=O)(O)=N1 17142607 NVFSVNOWORIIJR-UHFFFAOYSA-N 305.768 2.714 0 40 DFAB Cc1nn(C)cc1-c1cncn1CCc1ccc2c(c1)OCCO2 19719420 GGRVLVMFMPFVRI-UHFFFAOYSA-N 324.384 2.606 0 40 DFAB Nc1nonc1N[C@@H]1CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 19974020 ORMYHAJTBJPFEB-ONGXEEELSA-N 306.753 2.623 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 27370269 MZCAGGULXHBFPR-UPJWGTAASA-N 319.405 2.525 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)c1cccc(OC)c1 3256180 RDUIMXWAHFQCBG-AWEZNQCLSA-N 305.374 2.643 0 40 DFAB CCCCn1c(SCC)nc2cc(S(N)(=O)=O)ccc21 6166035 SCTCNGRGGGORKN-UHFFFAOYSA-N 313.448 2.596 0 40 DFAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCCN1 2037834592 TXYRAEMBUMAPQD-IBGZPJMESA-N 312.388 2.903 0 40 DFAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2nsnc12 215233 VXCMBSDQOBENTP-UWVGGRQHSA-N 311.432 2.548 0 40 DFAB CCNc1nc2c(s1)[C@@H](c1ccc(OC)c(O)c1)CC(=O)N2 15110105 POMIPGPRHJYSMA-SECBINFHSA-N 319.386 2.763 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccc(Cl)c1)C2 2055771683 QSGPATLHXBJSIC-RDJZCZTQSA-N 323.820 2.998 0 40 DFAB C[C@](O)(CNC(=O)NCc1cccs1)Cc1ccsc1 618255175 MZGWITBTALZWCP-CQSZACIVSA-N 310.444 2.603 0 40 DFAB CSc1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 6650201 FZEANGNMDLKGFS-UHFFFAOYSA-N 311.366 2.897 0 40 DFAB c1ccc(-c2nc(N3CCCCC3)nc(-n3ccnc3)n2)cc1 107683 DGVGIPHSHLCOJK-UHFFFAOYSA-N 306.373 2.715 0 40 DFAB C[C@@](O)(CNC[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1 31773317 ALMBTPOPNWVDCP-QZTJIDSGSA-N 321.367 2.670 0 40 DFAB Cc1csc(N(C)C(=O)CCc2ccc3c(c2)OCO3)n1 40548851 SKFAUJVBQPPTCN-UHFFFAOYSA-N 304.371 2.776 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1scnc1C)CC2 40529131 DWINMNUABMUYIL-UHFFFAOYSA-N 318.398 2.667 0 40 DFAB CNC(=O)c1cccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c1C 40516494 OSUJMGZHBJEMQB-ZDUSSCGKSA-N 315.200 2.877 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1=O 40534430 SHNSRWZBRGGNNF-AWEZNQCLSA-N 317.414 2.692 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(Cn3cccn3)cc2)n1C 21328209 DEGJJSBWABGRJM-UHFFFAOYSA-N 308.385 2.508 0 40 DFAB O=C(CCc1ccsc1)NCc1ccnc(-n2cccn2)c1 32818478 WECVPZRUKBEBBE-UHFFFAOYSA-N 312.398 2.578 0 40 DFAB O=C(NCc1cccc(COCc2ccco2)c1)[C@@H]1CCCO1 41421136 VEYVDFIQWXOCDX-KRWDZBQOSA-N 315.369 2.792 0 40 DFAB CCOC(=O)C1=C(NC#N)OC(C)=C(C)[C@@H]1c1ccc(O)cc1 535280 UUPXNJLFTSBKPN-CQSZACIVSA-N 314.341 2.645 0 40 DFAB COCCCC(=O)Nc1ccn(Cc2cccc3cccnc23)n1 61313748 JXPXAAHRNNVEJZ-UHFFFAOYSA-N 324.384 2.845 0 40 DFAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccoc3)n2)cc1 78774151 VFANNIKIKDBNOL-JTQLQIEISA-N 313.313 2.829 0 40 DFAB C[C@H](Nc1ncc(C(N)=O)cc1Cl)c1nc2ccccc2[nH]1 54056157 JUEMLIIRDRVMCY-QMMMGPOBSA-N 315.764 2.883 0 40 DFAB Cc1ccccc1CC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 79018542 ZUOAEHMTCQJNKK-QFIPXVFZSA-N 315.438 2.934 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CCSC2)cc1 79110846 LFHVTPYCIYHEQW-MFKMUULPSA-N 321.398 2.513 0 40 DFAB CCn1ncc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1C 2764036 FOSPXTODMTUKJE-UHFFFAOYSA-N 311.341 2.879 0 40 DFAB CCCCN(CC)C[C@H](O)COc1ccc(C(C)=O)cc1OC 7064023 CFQUOPMFFFFGIA-INIZCTEOSA-N 323.433 2.760 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2cccc[n+]2[O-])c1C 7552569 LIPUAJRAFAUZPY-LBPRGKRZSA-N 318.398 2.831 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn2ccccc2n1 24747802 KQABJSVTFMGOTM-UHFFFAOYSA-N 320.352 2.713 0 40 DFAB O=C(NC[C@@H]1COCCO1)c1ccccc1Nc1ccccc1 54616261 MOIPKRIFMWMGNR-OAHLLOKOSA-N 312.369 2.575 0 40 DFAB O=C(Cc1ccc2c(c1)CCO2)N(Cc1ccccn1)C1CC1 54719856 MIUGJPWGUOICQX-UHFFFAOYSA-N 308.381 2.750 0 40 DFAB O=C(N[C@H](Cc1cccc(F)c1)C(=O)O)OCc1ccccc1 34285985 PTHVXSGNDJTPEX-OAHLLOKOSA-N 317.316 2.748 0 40 DFAB O=C(O)c1nccnc1C(=O)Nc1cccc(Cl)c1Cl 34236388 ODWPBSQPWZAOGI-UHFFFAOYSA-N 312.112 2.734 0 40 DFAB C[C@H]1CN(C(=O)NCc2ccccc2OC(F)F)C[C@@H](C)O1 54976295 CAKQBVBPJVPUBI-PHIMTYICSA-N 314.332 2.607 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OC(F)F)cc1 8328800 JKEBQGHYBIORRC-UHFFFAOYSA-N 319.267 2.710 0 40 DFAB Cc1ccccc1-n1nc2c(c1NC(=O)C(C)C)C[S@@](=O)C2 8553329 RHXFSGIOIBOGFQ-QFIPXVFZSA-N 317.414 2.538 0 40 DFAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2C)cc1 8571004 PVDUKYKBRKKMGX-UHFFFAOYSA-N 312.321 2.960 0 40 DFAB COc1ccc(CNC(=O)c2cccnc2N2CCCC2)cc1 24601252 QXVFUZNDCGJIBB-UHFFFAOYSA-N 311.385 2.620 0 40 DFAB CCC1CCC(CNC(=O)c2ccc3nnc(C)n3c2)CC1 95393548 LPWJZIMXBOATFJ-UHFFFAOYSA-N 300.406 2.984 0 40 DFAB O=C(NCc1nc(C2CC2)no1)Nc1nc2ccccc2s1 56341557 BXIFNOIENMHVSF-UHFFFAOYSA-N 315.358 2.878 0 40 DFAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 107333169 OHPOFHLXUXSUAU-LLDVTBCESA-N 324.428 2.751 0 40 DFAB CCn1nc(C)c(C(=O)Nc2ccc(-n3cccn3)cc2)c1C 28241766 RRFCUNVKXKRCER-UHFFFAOYSA-N 309.373 2.958 0 40 DFAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)c1 10226699 VPGJNUDTIWNTST-HNNXBMFYSA-N 315.373 2.767 0 40 DFAB CC[C@H](C(=O)N1CC[C@@H](Oc2cnsn2)C1)c1ccccc1 669512552 GENDATRIILETHK-KGLIPLIRSA-N 317.414 2.712 0 40 DFAB O=C(NCC(F)(F)F)[C@H]1CCCN(Cc2cccc(F)c2)C1 58343999 SZJBTHHIIZJWGG-LBPRGKRZSA-N 318.314 2.716 0 40 DFAB Cc1ccccc1C(C)(C)C(=O)NCCC(=O)N1CCCCC1 58810493 DYHOGEAFYVHSQQ-UHFFFAOYSA-N 316.445 2.791 0 40 DFAB CSc1nnc(CN(C)[C@@H](CO)c2cccc(F)c2)s1 75936290 UXYMOMNCIQRQHK-NSHDSACASA-N 313.423 2.565 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccncc2)cc1 29752883 ADLQBMSHAWBIOV-KRWDZBQOSA-N 312.369 2.569 0 40 DFAB Cc1ccc(CN(C(=O)N[C@@H](C)Cn2cccn2)C2CC2)o1 46463975 GYSMTDXYJBZLFG-LBPRGKRZSA-N 302.378 2.547 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)c1ccc2c(c1)OCO2 3406899 WUCODZVZFDYOSO-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 110515861 APMSSFKHMBFNQG-LLLHUVSDSA-N 317.502 2.942 0 40 DFAB CC1CCN(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)CC1 12908259 HQTGPEBOTLCBLH-CYBMUJFWSA-N 319.380 2.672 0 40 DFAB O=C(O)CCCCNC(=O)COc1ccc(Cl)cc1Cl 4117611 KZRYIAGMDMXXMH-UHFFFAOYSA-N 320.172 2.743 0 40 DFAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(-c2ccccc2)cs1 93441538 VQKUACJWKJDSQC-HOCLYGCPSA-N 317.410 2.523 0 40 DFAB CC[C@@](C)(NC(=O)[C@H](C)Sc1ccc(OC)cc1)C(=O)O 95424537 GSXKFLFPGQXQRS-ZUZCIYMTSA-N 311.403 2.545 0 40 DFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c2ncccc12 49998173 CNYJJKUYGPXAFK-NSHDSACASA-N 313.382 2.703 0 40 DFAB COc1cccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1 95430022 NMFWOJNOXHRNSX-BDJLRTHQSA-N 303.333 2.686 0 40 DFAB N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1 6633450 RZAMJNWABDUOOF-UHFFFAOYSA-N 313.744 2.891 0 40 DFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1C 4763050 XOWPPYHSTGVURV-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 9468439 NNQLTZNUCQBBGM-CYBMUJFWSA-N 319.405 2.976 0 40 DFAB CNC(=O)c1sc(Nc2ccc3c(c2)OCCCO3)nc1C 66938823 WGQZGGLPGCNZEX-UHFFFAOYSA-N 319.386 2.716 0 40 DFAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@@H](n2ccnc2)C1 71796526 CQKQGBYLCQPODH-ZBFHGGJFSA-N 313.426 2.764 0 40 DFAB CCn1c(C)cc(C(=O)CSc2nnc(NC)s2)c1C 7102631 HKYJVAXQEDHBPZ-UHFFFAOYSA-N 310.448 2.993 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccco1 7244286 LWJJFLLEVKGICS-ZDUSSCGKSA-N 300.358 2.585 0 40 DFAB CC(=O)N1CC[n+]2c(-c3ccc(Br)cc3)csc21 8048451 YBFHPZGGANBXCT-UHFFFAOYSA-N 324.223 2.832 0 40 DFAB CCN(CC(=O)NCc1cscn1)Cc1ccc(Cl)cc1 71894116 OQNGAIZAYBERKD-UHFFFAOYSA-N 323.849 2.935 0 40 DFAB c1ccc([C@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)cc1 70037452 FDSYVVIOBFXIAA-MRXNPFEDSA-N 322.368 2.705 0 40 DFAB C[C@@H](CC(=O)NCCC(=O)N1CCCCC1)c1ccccc1F 69352086 DIYVRAUDPHZZNF-AWEZNQCLSA-N 320.408 2.838 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)s1 8340497 MZPVOOFOFBUTSQ-LBPRGKRZSA-N 303.383 2.918 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 69463758 CCWINNWKLXKXFS-SJORKVTESA-N 316.420 2.943 0 40 DFAB COC(=O)C1(NC(=O)CCc2csc(C)n2)CCC(C)CC1 71903482 JQNOATQQWFQUEC-UHFFFAOYSA-N 324.446 2.622 0 40 DFAB CCOc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1 69528680 ZMSPUUJIVVWXDO-MSOLQXFVSA-N 316.445 2.713 0 40 DFAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 69517796 GPUHDUWOHJZZQH-LLVKDONJSA-N 317.414 2.903 0 40 DFAB NC(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)nc1 91791527 KCNDUMDZWLPTQY-UHFFFAOYSA-N 324.365 2.556 0 40 DFAB CCN(CC)CCCNC(=O)C1CCN([C@H]2C=CCCC2)CC1 71915919 AUYRJVQDBAUUJF-SFHVURJKSA-N 321.509 2.655 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cn3c(C)cccc3n2)n1 69742585 KTGYIJWGGYEVBG-KRWDZBQOSA-N 324.432 2.516 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccsc1 69818684 ZLBXLKXELLYABP-FZMZJTMJSA-N 320.370 2.527 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1cnc2ccccc2n1 69948295 MXRYPMLKDSRBGB-IRXDYDNUSA-N 310.401 2.610 0 40 DFAB Cn1cnnc1CNC(=O)N(c1ccccc1)c1ccccc1 97082730 BSNKUTOOZFZDEL-UHFFFAOYSA-N 307.357 2.863 0 40 DFAB CCOc1cc(C(=O)NCCCn2ccnc2)cc2occc12 72240145 KQOJONCTBXAIDN-UHFFFAOYSA-N 313.357 2.848 0 40 DFAB O=C(O)c1coc(C(=O)NC[C@@H]2C[C@]23CCc2ccccc23)c1 97115282 ZMEOJYZTCFMYTE-SCLBCKFNSA-N 311.337 2.612 0 40 DFAB C[C@@H]1CCCC[C@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 97107899 BXBHRVRXMFTSDV-CVEARBPZSA-N 324.465 2.651 0 40 DFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2[nH]ccc2c1 97212414 VNAJGSDGLGYDCH-QGZVFWFLSA-N 320.348 2.820 0 40 DFAB O=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)C1CCCC1 75105258 UNLCHZNDRKGNIY-AWEZNQCLSA-N 306.450 2.722 0 40 DFAB COc1ccc(NCCc2n[nH]c(C(C)(C)C)n2)cc1OC 62719358 ITKZNEIQYYPMMZ-UHFFFAOYSA-N 304.394 2.774 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)c1C 521394331 WLPVIGCATWYUQE-RHSMWYFYSA-N 310.397 2.691 0 40 DFAB Cc1ccc(C(=O)c2c3nc[nH]c(=O)c3c3ccccn23)cc1 32603916 IHURYAFZFPBFOZ-UHFFFAOYSA-N 303.321 2.715 0 40 DFAB O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1COCCO1 79093427 BYINULVCIDDAAY-NWDGAFQWSA-N 316.184 2.512 0 40 DFAB O=C(CN1CCCCCC1=O)O[C@H]1CSCc2ccccc21 78442710 UFGUNUUXIAMXLU-HNNXBMFYSA-N 319.426 2.920 0 40 DFAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1CCc1cccs1 38671176 BFWRSMWHNMKINL-LLVKDONJSA-N 303.387 2.567 0 40 DFAB O=C(C[C@@H]1CCCO1)NCc1nc(-c2cccc(Cl)c2)no1 79362328 FWKTYSVFCBVZTQ-LBPRGKRZSA-N 321.764 2.575 0 40 DFAB CC(C)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 72225620 OMUKJWDRROLVLC-LJQANCHMSA-N 310.445 2.660 0 40 DFAB COc1ccc(OCCNC(=O)c2ccc(OC)c(C)c2)cc1 74946563 IWMLIYPYTFVPCO-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H]1COCCN1 195543334 SSUHCJBEDXNFJY-AWEZNQCLSA-N 324.808 2.588 0 40 DFAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cn1 225940131 QYGCRUSVQQWWOP-UHFFFAOYSA-N 312.369 2.777 0 40 DFAB CC(C)CN(CC(C)C)C(=O)c1nnn(-c2ccc(F)cc2)n1 75163523 AFDFWIAIJYWRML-UHFFFAOYSA-N 319.384 2.556 0 40 DFAB COc1ccc(CC2=NN[C@@H]3CC(C)(C)CC(=O)[C@H]23)cc1OC 228925546 RZYHVMJUGXAPDA-CXAGYDPISA-N 316.401 2.579 0 40 DFAB CCN(C)c1ncnc2c1CCN(Cc1ccsc1)CC2 96255797 SNVVFEJVRTUOFN-UHFFFAOYSA-N 302.447 2.595 0 40 DFAB COCCCN1CCCC12CCN(C(=O)C1CCCC1)CC2 96075283 NEBPJEDAVKBWDG-UHFFFAOYSA-N 308.466 2.670 0 40 DFAB c1cncc(NC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2cccnc2)c1 96082597 RGCYLAWTYADCOF-BMGDILEWSA-N 310.401 2.573 0 40 DFAB C[S@](=O)C[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 96445528 SJWISJDJOHKOLS-RCDICMHDSA-N 323.364 2.814 0 40 DFAB CC(C)C(=O)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 96214550 LWSAUHZTLYSNPI-GOSISDBHSA-N 301.434 2.695 0 40 DFAB CC(=O)NCCCN[C@@H](C)c1ccc(Br)c(C)c1 97233867 GTSCNIHZQVWYKC-NSHDSACASA-N 313.239 2.934 0 40 DFAB CN(Cc1ccco1)[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96048029 PHTMCZPSZQSKRD-INIZCTEOSA-N 304.434 2.745 0 40 DFAB CNC(=O)[C@@H](C)CN(C)Cc1cc(C)c(Br)s1 93899148 XOAVUOVTBFGNJC-VIFPVBQESA-N 319.268 2.633 0 40 DFAB NC[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242437263 BVNUZPVOFBTCNC-PMPSAXMXSA-N 321.829 2.855 0 40 DFAB Cc1c[nH]c([C@@H]2COCCN2CC2=Cc3ccccc3OC2)n1 257249894 JKEHIQGEJFSWEC-INIZCTEOSA-N 311.385 2.567 0 40 DFAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CCCCCC1 256046081 COARQGDMQQOLKR-UHFFFAOYSA-N 320.780 2.999 0 40 DFAB CC(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)n2ccnc2n1 257304802 SNERPNNDZOXSEA-NSHDSACASA-N 312.295 2.822 0 40 DFAB Cc1cc(-c2cccnc2)nn1CCNC(=O)/C=C/c1ccco1 390826835 QCKIUGFRJQENEC-VOTSOKGWSA-N 322.368 2.676 0 40 DFAB CCOCC[C@@H]1CCOC12CCN(Cc1cc(C)on1)CC2 585103280 AOPLKADCJGCFFW-OAHLLOKOSA-N 308.422 2.781 0 40 DFAB O=C(NC1CC1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 68518067 BGOXPXCJTVWOEM-HOTGVXAUSA-N 312.413 2.661 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)CCn2ccnc2)n1 72273915 BRIVZVLUMOBYHI-ZDUSSCGKSA-N 304.419 2.792 0 40 DFAB CC(C)N(C)C(=O)CC1CCN(C(=O)Nc2ccncc2)CC1 56499831 VNBNDDUKNAJEDR-UHFFFAOYSA-N 318.421 2.582 0 40 DFAB Cc1cccn2cc(C[S@](=O)Cc3noc(C(C)C)n3)nc12 83953089 JUZLKBDOQYJEOC-JOCHJYFZSA-N 318.402 2.598 0 40 DFAB Cc1cc(NC(=O)CNc2ncccn2)ccc1Br 58215663 VRIOVQPHAMBJSL-UHFFFAOYSA-N 321.178 2.598 0 40 DFAB CC(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 73884352 RIDHGQZOZSHMNX-UHFFFAOYSA-N 306.450 2.888 0 40 DFAB O=C(OCCn1cccn1)c1cccc(Oc2nccs2)c1 77110655 FGYYKQXDUKDARU-UHFFFAOYSA-N 315.354 2.989 0 40 DFAB CCCc1cc(NC(=O)N(CC)CCc2nccs2)n(C)n1 91095562 PYOZGEGJWLKKPG-UHFFFAOYSA-N 321.450 2.926 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 13999465 YAVAVLAGHIVIEV-DVOMOZLQSA-N 318.392 2.874 0 40 DFAB CN1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 19588436 CILYVYARKBHGKC-UHFFFAOYSA-N 323.440 2.941 0 40 DFAB CCOC(=O)c1cc(-c2ccc(-n3ccnc3)c(F)c2)on1 260886376 UIMZEWPPHBNWKB-UHFFFAOYSA-N 301.277 2.843 0 40 DFAB O=S(=O)(NCc1nc(C2CCCCC2)cs1)C1CC1 390831073 PLJYTKMOZRVFOZ-UHFFFAOYSA-N 300.449 2.773 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1 1379391 TVEANTLESVHQJK-QGZVFWFLSA-N 323.396 2.999 0 40 DFAB CCn1ncc(Br)c1C(=O)Nc1ncc(C)s1 355980 KKDWZHGVYHQLIP-UHFFFAOYSA-N 315.196 2.683 0 40 DFAB Cc1c(OC(=O)CO)ccc2c(=O)c(-c3ccccc3)coc12 2060999810 RUBDNBRCYWVUTC-UHFFFAOYSA-N 310.305 2.666 0 40 DFAB Cc1nsc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)n1 2086934275 LYPFINMSTSNBNJ-JTQLQIEISA-N 324.400 2.835 0 40 DFAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccsc1Cl)C2=O 71585 FSIICTYXGOKOHQ-UHFFFAOYSA-N 321.741 2.989 0 40 DFAB O=C(NC1CCCCC1)N1CCN(Cc2ccsc2)CC1 44227255 URFDEXRYYGSZPR-UHFFFAOYSA-N 307.463 2.908 0 40 DFAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1OC 30363613 JXUMFLNBLUYEEO-CYBMUJFWSA-N 324.402 2.730 0 40 DFAB CC(C)[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 40313174 RJXPMTIAZQDMCQ-AWEZNQCLSA-N 308.765 2.520 0 40 DFAB biogenic Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccccc1)CC(O)=N2 31819242 ZTDTVRVTWSZKGG-LBPRGKRZSA-N 321.340 2.800 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)Cc2nc(CC(C)C)no2)c1 32929560 UFKDOQHIAGEOKB-UHFFFAOYSA-N 322.430 3.000 0 40 DFAB C[C@H](OC(=O)/C=C/c1ccncc1)C(=O)N1CCc2ccccc21 33047506 HJWYTLPPTGIFSU-UZYOAWRESA-N 322.364 2.616 0 40 DFAB C[C@@H](c1ccccc1F)N(C)CCCN1C(=O)NC(C)(C)C1=O 53125155 BDSFULHPCHGXBM-LBPRGKRZSA-N 321.396 2.539 0 40 DFAB OC1(CNc2ccc3c(Cl)ccnc3c2F)CCOCC1 77217620 MSPXTLWPCTZTFP-UHFFFAOYSA-N 310.756 2.981 0 40 DFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 41963 KLQNBASWMYRALN-UHFFFAOYSA-N 320.370 2.974 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccsc1C(=O)O 37370723 XLGITCOZHTXXBN-SECBINFHSA-N 323.395 2.586 0 40 DFAB CCc1nc2cc(NC(=O)N[C@@H](CCO)C(C)C)ccc2o1 78937662 JGEZAPUWTMXNFG-LBPRGKRZSA-N 305.378 2.919 0 40 DFAB Cc1ccc(S(=O)(=O)CNC(=O)Nc2ccccc2C)cc1 1410290 OGQZNBIKEUEXKO-UHFFFAOYSA-N 318.398 2.856 0 40 DFAB COc1ccc(NC(=O)NC[C@H]2CCN(CC(C)C)C2)cc1F 79094420 JKNBZUUZJRRSON-CYBMUJFWSA-N 323.412 2.934 0 40 DFAB CCOC(=O)N1C[C@H](C)N(C(=S)Nc2ccccc2)C[C@H]1C 1694714 WLJXOFCLTSLVDP-QWHCGFSZSA-N 321.446 2.935 0 40 DFAB O=C(c1csc(Br)c1)N1CCO[C@H]2CCC[C@@H]21 42291175 DWKZCFQHODPSRZ-UWVGGRQHSA-N 316.220 2.904 0 40 DFAB O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccccc1F 22902797 WIWKFYCRXKXNRW-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB O=C(CCCC1CCCCC1)N1CCC[C@H](N2CCNC2=O)C1 84543943 QWXKGAXNVQOPCL-INIZCTEOSA-N 321.465 2.753 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cccnc2-n2cccn2)c1 23170656 JKYCJSRYDFPITO-UHFFFAOYSA-N 307.357 2.586 0 40 DFAB COc1cc(C(=O)NCCN(C(C)C)C(C)C)cc(OC)c1C 3304463 LACRNAFOEGWHOM-UHFFFAOYSA-N 322.449 2.861 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc(F)c1 3434282 IFTQNNXHBMPKSC-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccccc1Cl 4318858 DZCBCIIBROUNSS-CYBMUJFWSA-N 322.748 2.505 0 40 DFAB CN1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411534 CZASXMYPSJFOCW-UHFFFAOYSA-N 312.417 2.544 0 40 DFAB COc1ccc(OC)c(/C=C(\Sc2nnc(C)o2)C(=O)O)c1 7603570 DPJGLKVHTWWHPC-GHXNOFRVSA-N 322.342 2.613 0 40 DFAB COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 7928718 BRRDWODQPVOHQH-ZDUSSCGKSA-N 311.337 2.654 0 40 DFAB CN(C(=O)OCc1ccccc1)[C@@H](COC(C)(C)C)C(=O)O 8076658 WFGKFRZCVWGNAO-ZDUSSCGKSA-N 309.362 2.523 0 40 DFAB biogenic O=C(O)C[C@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1 1514324 JDJDBKXNCSZFDY-CYBMUJFWSA-N 309.321 2.541 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cn2)c2ccccc2N1 26089218 BSIGAVKPFJTCRE-LLVKDONJSA-N 301.733 2.800 0 40 DFAB C[C@H](C(=O)O)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 3267681 LMAKRFWEGFOISG-LWYMYGMPSA-N 311.746 2.849 0 40 DFAB O=C(O)[C@H]1CCCN1CCOc1ccc(Cl)cc1Cl 35302151 LZXDEQNECHHADJ-LLVKDONJSA-N 304.173 2.921 0 40 DFAB CC[C@@H]1C[C@H](C(=O)N[C@H](c2ccn(C)c2)C(F)(F)F)CCO1 108464425 VYMATKZBYLXLOK-RAIGVLPGSA-N 318.339 2.950 0 40 DFAB O=C(NC[C@@H]1COCCO1)Nc1ccccc1-c1ccccc1 56544626 VWMVPLVUYGUWNF-OAHLLOKOSA-N 312.369 2.891 0 40 DFAB O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1c1cccc(F)c1 44419881 CFLWZXSGRRRXRU-LBPRGKRZSA-N 324.315 2.791 0 40 DFAB Cc1nc(Cn2c(NC[C@@H](C)O)nc3ccccc32)cs1 48229793 NNVGEEMCMLHMTF-SNVBAGLBSA-N 302.403 2.642 0 40 DFAB CCN(c1ccc(C(=O)NCCc2cnn(C)c2)cc1)C(C)C 58175793 FIQGUXZMMVTZIP-UHFFFAOYSA-N 314.433 2.627 0 40 DFAB CCc1n[nH]c(SCc2cc(=O)c3cccc(F)c3[nH]2)n1 21099099 KXOMOSFOPXSBLK-UHFFFAOYSA-N 304.350 2.640 0 40 DFAB O=c1c2cnn(-c3ccccc3)c2nc(S)n1-c1ccccc1 102242914 BSNYRTRWEJPYKR-UHFFFAOYSA-N 320.377 2.860 0 40 DFAB CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NCC(=O)O)CC1 100177953 AZUNQKUPAYWDEF-CALCHBBNSA-N 304.434 2.882 0 40 DFAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCc2sccc2C1 28406789 ROGFVWCKUDGHHK-CQSZACIVSA-N 314.410 2.820 0 40 DFAB O=C(/C=C/c1c(Cl)nc2sccn12)NCc1cccnc1 25705881 JUEWSWMETIHUIJ-ONEGZZNKSA-N 318.789 2.774 0 40 DFAB c1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1 67898238 HHRROLRRYOHPTF-UHFFFAOYSA-N 321.380 2.838 0 40 DFAB biogenic,in-vitro O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(CO)cc1 12898825 OMMIRYDIUPCMGP-UHFFFAOYSA-N 308.337 2.722 0 40 DFAB COc1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cn1 46469219 WWJKPOFCWRNERE-ZDUSSCGKSA-N 317.393 2.523 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc1 2640081 ZUEQIMMCGNEYHW-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB CC[C@H](CO)N[C@@H](C)c1ccc(I)cc1 37238471 NJJWZFVCBOZZGP-JOYOIKCWSA-N 319.186 2.713 0 40 DFAB C[C@@H]1CN(CCC2CCN(Cc3ccncc3)CC2)C[C@@H](C)O1 84706184 VMAKQSFRXXHOQP-IAGOWNOFSA-N 317.477 2.793 0 40 DFAB CC[C@](C)(CNC(=O)C(F)(F)c1ccc(OC)cc1)[C@@H](C)O 95440048 DFDONNKIVZIGAY-IAQYHMDHSA-N 315.360 2.700 0 40 DFAB CN(Cc1cscn1)C(=O)Nc1nnc(C(C)(C)C)s1 49030122 LOTVJYUTDGFVEF-UHFFFAOYSA-N 311.436 2.956 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 5002361 CRBOGZFRMLOLPQ-ZDUSSCGKSA-N 313.353 2.807 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccncc1 65562549 PPEYTJHBRNPLBS-IINYFYTJSA-N 313.332 2.524 0 40 DFAB CC(C)[C@H](O)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 95446585 UDKPPSRLUSTZDO-ZMSDIMECSA-N 324.852 2.608 0 40 DFAB CN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 4676127 DTWMYVADEDDGLK-ZEVUXNIQSA-N 303.361 2.683 0 40 DFAB CN(Cc1nccn1C)c1ncnc2sc3c(c12)CCCC3 6652061 VQRGVAIAVUASJI-UHFFFAOYSA-N 313.430 2.940 0 40 DFAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccoc1C 95452377 JBSJRKXFYZNMFG-LBPRGKRZSA-N 301.342 2.792 0 40 DFAB CCCCOc1cccc(C(=O)Nc2nnn(CCCC)n2)c1 4703809 NMYCPVUXHVQEGG-UHFFFAOYSA-N 317.393 2.904 0 40 DFAB CCOC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 5681658 CMOUWNKGRJUVQD-SWLSCSKDSA-N 321.373 2.632 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2ccccc21 14903658 CLUOOLAIJUXXNX-HNNXBMFYSA-N 315.394 2.507 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2cccs2)cn1 71830423 PPTKENZJXKFUSG-MELADBBJSA-N 301.415 2.949 0 40 DFAB O=S1(=O)CC[C@@H](SCc2ccc(Br)cc2)C1 16401837 YKFPUSLVOYDVOP-LLVKDONJSA-N 321.261 2.869 0 40 DFAB COc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)c(OC)c1 16635671 ZZCUXAMTUKURCG-UHFFFAOYSA-N 324.377 2.557 0 40 DFAB CN1CCN(C[C@H](O)c2ccc(F)cc2F)Cc2ccccc21 69087882 JZEFHJODSYXDNW-SFHVURJKSA-N 318.367 2.950 0 40 DFAB C[C@H](c1ccccn1)N(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)C1CC1 69165738 HQZCPGKPBNZORT-DAXOMENPSA-N 310.401 2.671 0 40 DFAB CC[C@@H](CCO)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 71921095 WANRCQJBABQYGT-LBPRGKRZSA-N 307.394 2.564 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sc(C)nc1C 69598954 FTCKHEPIPSOXQO-KBPBESRZSA-N 307.463 2.849 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)s1 69516040 PPRZZMQZZGFKOE-AAEUAGOBSA-N 323.462 2.645 0 40 DFAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(N)=O)cc1 18008795 KYJZMULBEJPNRN-UHFFFAOYSA-N 302.761 2.711 0 40 DFAB Cn1c(Cl)cnc1CN1CCN(c2ccccc2F)CC1 18034240 BBAPLOGYWKDXOK-UHFFFAOYSA-N 308.788 2.535 0 40 DFAB O=C(Nc1ncccc1O)c1ccn(-c2cccc(Cl)c2)n1 69841637 SVYNCDAOZKAHBB-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB O=C(CC1(O)CCCC1)OCc1nc(-c2cccs2)no1 69974339 OYQXEIYYLQIROG-UHFFFAOYSA-N 308.359 2.537 0 40 DFAB c1coc(-c2nnc(CN3CCCC[C@H]3Cn3cccn3)o2)c1 69969695 XHFXMUTXIWUQRE-ZDUSSCGKSA-N 313.361 2.581 0 40 DFAB CC(C)(C)c1ccc2c(c1)CN(C(=O)CCc1nc[nH]n1)CC2 97080331 UXSAYWSZDYTDIW-UHFFFAOYSA-N 312.417 2.620 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2cc(COC)on2)C12CCCCC2 98016440 MOJPEPAJXLXDAD-LSDHHAIUSA-N 322.405 2.679 0 40 DFAB CCOc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(C(N)=O)c1 72310259 BUAUMMPVYGGXNN-ZDUSSCGKSA-N 302.374 2.703 0 40 DFAB CNc1snc(C)c1C(=O)N1CCC(OCC(C)C)CC1 95954084 GRJGUOYSUWFLPR-UHFFFAOYSA-N 311.451 2.770 0 40 DFAB COc1cc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F 95980042 HUDRHILGYQXUDX-MJVIPROJSA-N 310.369 2.762 0 40 DFAB Cn1ccnc1CN(CCO)Cc1ccc(Cl)c(Cl)c1 95981828 UJALSIRTLNPYHG-UHFFFAOYSA-N 314.216 2.721 0 40 DFAB COC(=O)c1sccc1CN(C)C[C@@H](O)c1ccc(F)cc1 89364852 JBUQMASYCCMBEJ-CQSZACIVSA-N 323.389 2.839 0 40 DFAB Cc1ccc(O)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 29836390 RRSTZWLNHQRVIT-INIZCTEOSA-N 316.376 2.872 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccncc2)c(Cl)c1 42678578 CDAWNABXYVETTK-UHFFFAOYSA-N 310.806 2.864 0 40 DFAB Cn1cccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409237246 IWWZYSCCGJESSJ-UKTHLTGXSA-N 301.733 2.776 0 40 DFAB Cn1ncc(N2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1=O 78335137 SPLCBFKDODESQG-ZDUSSCGKSA-N 303.793 2.503 0 40 DFAB Cc1ccc([C@H]2[C@@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218444543 WWLLIVNJHMJFIJ-IKGGRYGDSA-N 302.395 2.543 0 40 DFAB O=C1CCCC[C@H]2NC[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2N1 77010694 PKFKNVRDILTFCY-GUTXKFCHSA-N 312.335 2.820 0 40 DFAB Nc1nnc(-c2ccc(OCc3cccnc3)c(Cl)c2)o1 216844302 DGRUSBAZPGFFPV-UHFFFAOYSA-N 302.721 2.946 0 40 DFAB O[C@H](CNC1CCCC1)COc1ccc(Br)cc1 32231969 GPBKEXFGPHZANX-CYBMUJFWSA-N 314.223 2.721 0 40 DFAB CCOc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72211823 OIDISDKKRAUOPZ-UHFFFAOYSA-N 308.378 2.968 0 40 DFAB C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 195530754 VNCXGCWMASDDBO-MCIONIFRSA-N 305.422 2.671 0 40 DFAB O=C(O)CCSc1nnc(COc2ccccc2Cl)[nH]1 224973298 YXVYQVYSHSAIDD-UHFFFAOYSA-N 313.766 2.604 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc3cn[nH]c3c2)CC1 40434559 HYKLCBVCBVKEDJ-UHFFFAOYSA-N 302.378 2.620 0 40 DFAB COCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c(C)n1 225883248 YFYKNWUTFOVDKG-KRWDZBQOSA-N 324.421 2.805 0 40 DFAB O=C(CCC(F)(F)F)N1C(=O)OC[C@H]1Cc1ccccc1 83310152 XPGZSCXWDAPVIM-LLVKDONJSA-N 301.264 2.919 0 40 DFAB C[C@@H](CNC1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 194473797 MZDGCHDZQJLKNX-IRXDYDNUSA-N 302.462 2.881 0 40 DFAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC2)c1 224812583 JOLHANRZRPFEIE-WJDWOHSUSA-N 310.353 2.638 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2)CN1CCOC[C@@H]1CCCO1 96421109 JLPBXLLGVLYDFU-NJAFHUGGSA-N 305.418 2.644 0 40 DFAB CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1ccncc1 96200989 FWCIZTKCZXDULE-CVEARBPZSA-N 315.442 2.531 0 40 DFAB OCc1ccc(I)c(Br)c1 96300529 UKBWGDPWHYKLAY-UHFFFAOYSA-N 312.932 2.546 0 40 DFAB COC(=O)[C@H](NCc1cccnc1OC)c1ccccc1Cl 96410390 CRUVPHMCRLNCHL-CQSZACIVSA-N 320.776 2.748 0 40 DFAB C1CCC2(CC1)O[C@@H]1[C@H](OC[C@H]3OC4(CCCCC4)O[C@@H]13)O2 239347253 MNXYIFLXTZJYIW-APIJFGDWSA-N 310.390 2.863 0 40 DFAB biogenic CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C=C(C)C)C1 96426828 HPMYGRYITVVUJJ-GFCCVEGCSA-N 320.355 2.602 0 40 DFAB Cc1cc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)no1 95482020 HESGLCUOEPSNET-CYBMUJFWSA-N 315.358 2.573 0 40 DFAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1C(C)(C)C 96402681 GDVRBXCUVFJQGO-CYBMUJFWSA-N 321.421 2.841 0 40 DFAB CCO[C@H]1COC2(CCN(Cc3ccc(OC)cc3)CC2)C1 96158727 GQZQWFKTJNXQRQ-QGZVFWFLSA-N 305.418 2.855 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3cccc(F)c3)CC2)CN1C 96216162 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O=C(OCC(F)(F)F)c1ccc(OC2CCOCC2)cc1 95404928 XLUMGHCGMVOYPA-UHFFFAOYSA-N 304.264 2.964 0 40 DFAB Cn1cc(CNc2ccc3[nH]ncc3c2)c(-c2ccncc2)n1 95431132 KRDAZFBNJHNYJA-UHFFFAOYSA-N 304.357 2.971 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)c1occc1-c1ccccc1 95427410 TXKAEIAICIDCAG-RISCZKNCSA-N 305.399 2.789 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1C 95445693 IJBIGUTUKVAOSS-BXUZGUMPSA-N 306.431 2.627 0 40 DFAB CCOC[C@H]1CCN(C(=O)NCc2cc(C)cc(OC)c2)C1 95434951 JSMPCWBVGWGDGJ-AWEZNQCLSA-N 306.406 2.572 0 40 DFAB C[C@H](CCSc1ccccc1)N1CCCN(C(N)=O)CC1 95430663 BPFASZNDOCFONR-CQSZACIVSA-N 307.463 2.644 0 40 DFAB CCCCO[C@@H](C)C(=O)Nc1cncc(Br)c1 95975558 RRXDCIBDXOHWLW-VIFPVBQESA-N 301.184 2.988 0 40 DFAB CC[C@H](NS(=O)(=O)N(C)CC(C)C)c1ccc(OC)cc1 95993827 XENNCIAKGVYIMM-HNNXBMFYSA-N 314.451 2.569 0 40 DFAB O=S(=O)(Cc1cccc(Br)c1)c1nccs1 95994617 VJTXCWIEYOGPHS-UHFFFAOYSA-N 318.217 2.880 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)c1ccccc1N1CCCCC1 95976852 KQFQZJAGFWCHQB-XJKSGUPXSA-N 322.474 2.519 0 40 DFAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CCc2ccccc21 95981681 KTNFRIUELWSIDJ-YWZLYKJASA-N 324.424 2.827 0 40 DFAB C[C@@](NC(=O)c1cnc(-c2ccccc2)s1)(C(=O)O)C1CC1 95989615 NBDMXOVLYNTQJW-INIZCTEOSA-N 316.382 2.793 0 40 DFAB CC(C)(C)c1ncsc1C(=O)N1CCC(n2ccnn2)CC1 95977861 MXRUVQAHDBEGCA-UHFFFAOYSA-N 319.434 2.509 0 40 DFAB CCCc1nc(CNc2cccc(-c3nnnn3C)c2)cs1 86198747 WSOOQPHTIBRMRF-UHFFFAOYSA-N 314.418 2.898 0 40 DFAB CCCCn1nccc1NC(=O)Cn1ccc(C(F)(F)F)n1 75614477 UQMAHAHQVXUCOR-UHFFFAOYSA-N 315.299 2.537 0 40 DFAB CCn1ncc2c1CCC[C@@H]2NCc1csc(COC)n1 76042846 XFSPIFRSUXXFNY-ZDUSSCGKSA-N 306.435 2.673 0 40 DFAB C[C@H]1[C@@H](O)CCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 1556630770 JMESMOXZXBUKSJ-UGSOOPFHSA-N 321.380 2.621 0 40 DFAB O=C(COc1ccccc1)Nc1nnc(-c2ccncc2)s1 28221453 MUKIYNWCEDZJPA-UHFFFAOYSA-N 312.354 2.618 0 40 DFAB c1coc(CN2C[C@H]3Cc4nc(NCC5CC5)ncc4[C@H]3C2)c1 306135949 PFAQMQIIIRWRQL-CJNGLKHVSA-N 310.401 2.663 0 40 DFAB Cc1ccc(C)c(CC(=O)NC[C@H]2COc3ccccc3O2)c1 76123417 OWOHCIXZZKPJIC-INIZCTEOSA-N 311.381 2.802 0 40 DFAB COc1cc(CNC(=O)CCCC/C=C/C(C)(C)O)ccc1O 77293452 OGBQQOBPAFILCJ-YRNVUSSQSA-N 321.417 2.905 0 40 DFAB in-vitro C[C@H](CCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F 79537328 YIICIDKPQBMJDZ-SECBINFHSA-N 306.303 2.915 0 40 DFAB NC[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218577486 CMQWECWJHSUHFY-ARFHVFGLSA-N 321.829 2.855 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1Cl 30321188 TXOIOXANWWASIX-UHFFFAOYSA-N 315.778 2.762 0 40 DFAB COCCO[C@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 186675362 PXZUDGKRMRRMJZ-JSGCOSHPSA-N 324.446 2.572 0 40 DFAB Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)COc2ccccc2)C1 72388844 QYXCECGUVJKKBT-SFHVURJKSA-N 313.401 2.677 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222441970 VFPBSKPRXHYBFY-MYZSUADSSA-N 319.788 2.522 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCCO2 75156621 KUGRXWRHUHJCCB-UHFFFAOYSA-N 301.342 2.802 0 40 DFAB O=C(O)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 75493385 HMAINPCEBYRGAV-UHFFFAOYSA-N 305.330 2.784 0 40 DFAB COc1cc(CN(C)C(=O)c2ccco2)cc(OC)c1OC 222949059 DMWODYWNXJPGTF-UHFFFAOYSA-N 305.330 2.578 0 40 DFAB Fc1ccccc1-c1nnc2sc(-c3csnn3)nn12 40286165 RZWUQQHZKWAGJU-UHFFFAOYSA-N 304.335 2.510 0 40 DFAB COCC[C@H]1CCCCN(c2nnc(CC(F)(F)F)n2C)C1 574082919 VPSXJFFTEBOFHD-LLVKDONJSA-N 320.359 2.563 0 40 DFAB O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccon1 83074345 ZLOQYERGCBXSFR-UHFFFAOYSA-N 313.279 2.735 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccco1 96424038 AZHPLQZUWJHSDS-VXGBXAGGSA-N 308.378 2.703 0 40 DFAB CC(C)c1ccc(-c2ncc(CN(C)CC(N)=O)s2)cc1 96445674 SOWIDOAIXPKTAW-UHFFFAOYSA-N 303.431 2.851 0 40 DFAB COCCCN1CCCC12CCN(Cc1cccc(C)n1)CC2 96075268 RGEWSIRKODJNGG-UHFFFAOYSA-N 317.477 2.857 0 40 DFAB O=C1CCCN1[C@H]1CCCN(CCSc2ccccc2)C1 96410339 ZEEWNHUBDPTJNM-HNNXBMFYSA-N 304.459 2.866 0 40 DFAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1cc2ccccc2[nH]1 96499729 LNDMJKSCMUKFIC-WMLDXEAASA-N 315.417 2.860 0 40 DFAB C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(Cl)ccc1N(C)C 96420243 NSPRVYXMKMSGNS-QWRGUYRKSA-N 313.829 2.935 0 40 DFAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)Cc2cccs2)c1 96426591 YSUXCRNEZFPFCQ-UHFFFAOYSA-N 324.427 2.609 0 40 DFAB CSCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F 96422386 CPGZMXWNTRJRGA-NSHDSACASA-N 324.421 2.824 0 40 DFAB O=C(CCc1ccccc1)NCCn1ccc(-c2ccncc2)n1 96098791 KJJWPQKJIPAZBH-UHFFFAOYSA-N 320.396 2.694 0 40 DFAB O=C(Nc1cccs1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575607123 XNYINVWZXONGFT-NSHDSACASA-N 322.365 2.753 0 40 DFAB CNC(=O)[C@@]1(C)CCCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C1 585285382 YASLFNOPEYVAQU-ZYSHUDEJSA-N 324.509 2.802 0 40 DFAB CCOC(=O)C1CCN(c2ccc(Br)cn2)CC1 48571280 XESNNHKNHDMKBV-UHFFFAOYSA-N 313.195 2.624 0 40 DFAB O=C(C[C@@H]1CCNC1)NCCc1ccc(Cl)cc1Cl 89741236 LGHIRSWPAOEQJE-JTQLQIEISA-N 301.217 2.652 0 40 DFAB CCOc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303634 YICJPDZUKLKJDN-UHFFFAOYSA-N 323.352 2.585 0 40 DFAB Cc1cc2occ(CC(=O)N[C@@H]3CCCN(C)C3)c2cc1C 12195214 GHALEWRWUCZBSC-OAHLLOKOSA-N 300.402 2.803 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CCCO1 11417641 CXWBUKXLUGCRGF-ZDUSSCGKSA-N 308.765 2.584 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1cc2ccccc2c(=O)[nH]1 6971417 ULDUHFKSZBQJBY-OAHLLOKOSA-N 320.348 2.782 0 40 DFAB CCOc1ccc(NC(=O)N2CC(Cn3cc(C)cn3)C2)cc1 1889152045 CEZGJSGGSDWNLN-UHFFFAOYSA-N 314.389 2.754 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1ncnc2sccc12 15166515 HABVBJLWOKPHKD-UHFFFAOYSA-N 323.381 2.564 0 40 DFAB Cc1cc(C)nc(SCCCNC(=O)Nc2nccs2)n1 10220883 FOJRMNLSHSPXCZ-UHFFFAOYSA-N 323.447 2.854 0 40 DFAB COc1ccccc1-n1ncc2c(=O)[nH]c(SC(C)C)nc21 10613244 UYSNHECVEPFGJI-UHFFFAOYSA-N 316.386 2.618 0 40 DFAB C[C@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)[C@H](C)CO1 40071839 LAVOBVYBNQNLQB-MNOVXSKESA-N 307.781 2.999 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1Cl 100452089 DBAPOUONWZJLLU-ZVFRIGBMSA-N 305.761 2.785 0 40 DFAB C[C@@H](OC(=O)c1cnn2cccnc12)c1cc(F)ccc1F 50659865 CEQZEIPLWFDQEQ-SECBINFHSA-N 303.268 2.926 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)c[nH]1 40488926 WWEHPGVQJZRTDZ-VIFPVBQESA-N 316.386 2.532 0 40 DFAB CC(C)(C)c1nnc(NS(=O)(=O)Cc2ccccc2)s1 279600 TVWTUZGYYYLLSW-UHFFFAOYSA-N 311.432 2.778 0 40 DFAB CCOc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 380894 LLKMPSBGDYSRCI-HNNXBMFYSA-N 313.353 2.655 0 40 DFAB O=C(Cc1coc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21 53384393 PEOAETILCDHNFL-CVEARBPZSA-N 312.369 2.664 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 22463091 VPHXTWZGHUBYKE-INIZCTEOSA-N 313.401 2.858 0 40 DFAB CCn1cnnc1-c1cccc(NC(=O)c2cccc(C)n2)c1 25283972 CYSUSVYBSWYYPD-UHFFFAOYSA-N 307.357 2.921 0 40 DFAB CN(Cc1cccs1)C(=O)CN1CCC[C@H]1c1ccc[nH]1 78972611 PVWBUEPEKXYQSF-HNNXBMFYSA-N 303.431 2.872 0 40 DFAB CCOC1CCN(C(=O)N[C@@H](C)Cc2cccc(OC)c2)CC1 79036578 FKEQNXVEVQMVQR-AWEZNQCLSA-N 320.433 2.837 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCSC2(CCCCC2)C1 79632093 IXFUVXQJXXZUST-UHFFFAOYSA-N 305.447 2.790 0 40 DFAB Oc1ccc(N2CCN(c3ncnc4sccc34)CC2)cc1 2636655 AOJLNAIDODACRK-UHFFFAOYSA-N 312.398 2.724 0 40 DFAB CN(Cc1ccc(F)cc1)Cc1cc(=O)n2ccsc2n1 3542028 YPFAABZTKIRAAZ-UHFFFAOYSA-N 303.362 2.527 0 40 DFAB O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccc(Cl)cc1 4002867 IQBWXWNKDMEORW-UHFFFAOYSA-N 303.749 2.554 0 40 DFAB O=C(Oc1ccccc1Cl)c1ccc(-n2cncn2)nc1 3128701 SZJSFFYIQOWQGH-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc[nH]1 4890315 BEGQLYUKOIQBJD-UHFFFAOYSA-N 323.135 2.800 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2cccc(C(=O)OC)c2)n1 7654614 CKKJIJKZFZBLBX-UHFFFAOYSA-N 318.398 2.801 0 40 DFAB Cc1ccc(Br)cc1S(=O)(=O)N1CCCC1 7667662 VJQARCQKLYUQGF-UHFFFAOYSA-N 304.209 2.542 0 40 DFAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc2ccccc12 7939424 RYDBHMRFTKAERM-GIDYTXSJSA-N 307.349 2.976 0 40 DFAB CC1CCC(O)(CSc2nnc(CN3CCCC3)o2)CC1 95404018 AVMORWLKABTHQV-UHFFFAOYSA-N 311.451 2.699 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)NC(C1CC1)C1CC1 55101552 UTYGWYQDXPMTHY-UHFFFAOYSA-N 314.414 2.827 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21 106167706 BCUGHNCTKCXBGY-RWMBFGLXSA-N 313.401 2.642 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 106765596 OWCPIDVLJHJNPO-SRVKXCTJSA-N 315.339 2.840 0 40 DFAB CN(C)c1cccc(C(=O)OCc2nc(-c3ccco3)no2)c1 44091287 LQFQFCPZVCXXSD-UHFFFAOYSA-N 313.313 2.753 0 40 DFAB O=C(COc1ccccc1C(=O)O)NCc1ccc(Cl)cc1 1750350 GPNKKKFJCMGRPV-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB CC[C@H](C)C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 57727617 CQWKKDXYTOBYRN-JTQLQIEISA-N 317.341 2.841 0 40 DFAB CSCc1cccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1 48275303 LMPCKPUDUVQXAS-AWEZNQCLSA-N 304.459 2.764 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100395467 OAPZOXGLZGZDEE-KPLDXPABSA-N 322.408 2.726 0 40 DFAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1cccc(Cl)c1 101028559 FDKLNIZBIJDNOZ-CQSZACIVSA-N 316.744 2.868 0 40 DFAB CCO[C@H](C)C(=O)/N=c1/sccn1Cc1ccc(C)cc1 58306895 AJCQBSYKSWGHTR-PHODEOQFSA-N 304.415 2.759 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1C(=O)O 58368547 CGEYXKNURJHNMF-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1ccc(C(N)=O)cc1NC(=O)NCCc1ccccc1F 58450649 NSBKNYAMSSTCCO-UHFFFAOYSA-N 315.348 2.597 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1cccc(F)c1 71859084 ZQXKRHZHRFGGJW-WHEQGISXSA-N 319.401 2.779 0 40 DFAB c1csc(CN2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)n1 107204944 BKRUFYZIFFYFMA-KKUMJFAQSA-N 308.447 2.692 0 40 DFAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)n2cncn2)o1 110633011 RXKBHKQZSLLYCY-IPYPFGDCSA-N 316.405 2.994 0 40 DFAB Cn1ccnc1CNc1cc(C(=O)N2CCCC2)ccc1Cl 95411992 JNVHQAAZARFYAB-UHFFFAOYSA-N 318.808 2.922 0 40 DFAB C[C@@H](NC(=O)CCc1ccco1)c1ccc2c(c1)OCCO2 36758449 ROVGJKSHXWIUEE-GFCCVEGCSA-N 301.342 2.861 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1n[nH]c2ccccc12 11613426 YMPBFKFLFGRSTN-UHFFFAOYSA-N 324.340 2.782 0 40 DFAB C[C@@H](Sc1nc2ncccn2n1)c1nc(-c2ccco2)no1 29740403 VUOXZZCHQBUSBU-MRVPVSSYSA-N 314.330 2.621 0 40 DFAB CN(Cc1cnn(C)c1)Cc1cc(-c2ccc(F)cc2)no1 29704183 BRUGUZORFWLNIT-UHFFFAOYSA-N 300.337 2.846 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(Cl)nc1 60506226 NMTNLRVNFUGZJU-LBPRGKRZSA-N 310.781 2.683 0 40 DFAB O=C(NCc1ccco1)C(F)(F)C(F)(F)C(F)(F)Cl 2765407 ROASCMADAXHYLU-UHFFFAOYSA-N 309.593 2.998 0 40 DFAB COc1ccc(C)cc1NC(=O)CCNC(=O)c1cccs1 12982783 HBVRQXFWAAXKTG-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB CCCCC1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)F)C1 4163572 MYZGVWRRLGHYGP-ZDUSSCGKSA-N 315.295 2.725 0 40 DFAB NC(=O)c1cccc(C[S@@](=O)Cc2ccc(Cl)s2)c1 64827145 PAIUXIIXBMAMCI-IBGZPJMESA-N 313.831 2.949 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1ccc(-c2csnn2)cc1 96434304 VSGJTJAZFDDTGZ-CYBMUJFWSA-N 318.402 2.848 0 40 DFAB Cc1ncsc1CNC(=O)N1CCc2c(F)cc(F)cc2C1 96477123 KJEOLDCECSZJFY-UHFFFAOYSA-N 323.368 2.998 0 40 DFAB COc1ccc(-c2noc(CN(C)[C@H](C)C3CC3)n2)cc1OC 65622119 KPCPJTFOTDFRPJ-LLVKDONJSA-N 317.389 2.984 0 40 DFAB C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)c1ccccc1 9530974 MKKMUDTWQZPHSN-GFCCVEGCSA-N 323.348 3.000 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 6656859 GNHOLCHVAQCHPB-ZDUSSCGKSA-N 320.389 2.892 0 40 DFAB COc1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 9112454 IWUCXOFETLUPAQ-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB CCCNC[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 6936415 RGUBNAWWBWMUFY-KRWDZBQOSA-N 313.397 2.657 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1cc(F)cc(F)c1)c1ccccc1 7032431 XNIHMCCWQJGWST-LLVKDONJSA-N 319.307 2.999 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCO)C1CC1 80178970 ILDAHTREVVVTAS-BZNIZROVSA-N 306.381 2.615 0 40 DFAB CSc1ccsc1C(=O)NN1CCc2ccccc2C1=O 96004257 IMSGGGRJHXBNEN-UHFFFAOYSA-N 318.423 2.813 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1F 7405781 HUUJJIDXLITDEB-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB O=C(O[C@@H]1CCCCC1=O)[C@H]1COc2ccc(Cl)cc2C1 7542103 RKOHKHGMVSRPGI-IAQYHMDHSA-N 308.761 2.946 0 40 DFAB O=C(O)Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 15934327 VKQGXIMIFSPEQN-UHFFFAOYSA-N 314.297 2.686 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCCc4ccccc43)nc12 8024480 VVHIZNZABRRXRN-UHFFFAOYSA-N 305.381 2.956 0 40 DFAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1cccs1 8185396 CQJSLYBBCXEBJW-PSASIEDQSA-N 309.416 2.823 0 40 DFAB CNc1nnc(SCc2nc(-c3ccsc3)no2)s1 8175239 UOADCYRMHFIREG-UHFFFAOYSA-N 311.417 2.984 0 40 DFAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccn(C2CCCC2)n1 110691062 XHFHZYACUKSCTD-QLFBSQMISA-N 318.465 2.876 0 40 DFAB Cc1cc(C)n(-c2cccc(C(=O)NCCc3ccccn3)c2)n1 95480930 KWKCIMPLJXOJOA-UHFFFAOYSA-N 320.396 2.857 0 40 DFAB Cc1cc2n(n1)C[C@H](CN[C@@H](C)c1sc(C)nc1C)CN2 69350967 BYCFKLZTGICPLT-GXFFZTMASA-N 305.451 2.657 0 40 DFAB Cc1ccnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 9468998 CQCXRVNSLMQAFF-UHFFFAOYSA-N 318.760 2.996 0 40 DFAB Cc1cc(NC(=O)CN2CC[C@H](c3cccc(F)c3)C2)no1 69568120 ZWLOFOKAOVRYQL-ZDUSSCGKSA-N 303.337 2.550 0 40 DFAB Cc1ccc(C(=O)NCCCNC(=O)c2cccs2)cc1F 69530810 WHNXOAGWPODCJU-UHFFFAOYSA-N 320.389 2.746 0 40 DFAB O=C(COC1CCCC1)Nc1cnc(-c2cccc(O)c2)nc1 69972154 UBNUMIDMBITENZ-UHFFFAOYSA-N 313.357 2.747 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95407648 XBNHUGGRMPFNGY-ZDUSSCGKSA-N 319.453 2.580 0 40 DFAB COc1cc(C(=O)OCC(=O)c2ccc[nH]2)cc(Cl)c1OC 9817343 XVAXFDOJBOCVCP-UHFFFAOYSA-N 323.732 2.725 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 72235169 HJGROAMMCFFREI-HNNXBMFYSA-N 302.353 2.511 0 40 DFAB CC(C)c1nc([C@H]2CCCN(c3ncnc4c3CCC4)C2)no1 72240600 ORZQKGKZRAKDAQ-LBPRGKRZSA-N 313.405 2.856 0 40 DFAB CC(C)NC(=O)[C@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1 95422583 KEBYQLBSRVPUQQ-DLBZAZTESA-N 300.446 2.827 0 40 DFAB CCc1nnc(CN2CCN([C@@H](C)c3ccsc3)CC2)o1 97142304 TWHGZTNPEORKPU-LBPRGKRZSA-N 306.435 2.572 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(=O)[nH]1 75120961 ORNVGTGQFZZOCX-WDEREUQCSA-N 302.296 2.534 0 40 DFAB Cc1ccccc1CCC(=O)NC[C@@H](C(=O)O)c1ccccc1 89689322 CGUSNVXOSAYRHE-QGZVFWFLSA-N 311.381 2.912 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2nc3c(F)cccc3[nH]2)no1 75582648 VMJDKUQKWVHHCZ-GFCCVEGCSA-N 315.352 2.985 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1 28304070 WQZDFSSBSXJWQQ-UHFFFAOYSA-N 314.345 2.920 0 40 DFAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1nc(-c2cccs2)no1 20729555 NROCSRDQJJYICO-OUAUKWLOSA-N 301.371 2.740 0 40 DFAB CCOC(=O)NC1(N(C(C)C)C(C)C)Oc2ccccc2O1 25314968 KBXDGJSRTOCYEJ-UHFFFAOYSA-N 308.378 2.934 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1 408707569 OLXYLDNWIHUOEH-OAHLLOKOSA-N 310.397 2.531 0 40 DFAB Cn1cnc2nc(O)cc(C(=O)N[C@@H](c3ccccc3)C3CC3)c21 557492063 XIWWGSUZCYTVHF-HNNXBMFYSA-N 322.368 2.555 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 6407862 KAGVIJNIEWAHGP-UHFFFAOYSA-N 315.369 2.663 0 40 DFAB COc1ccc(CCCN(C)C(=O)c2cccc3nn[nH]c23)cc1 187415450 RKIUGDFIAVUJMV-UHFFFAOYSA-N 324.384 2.671 0 40 DFAB COc1ccc(CC(=O)N2CCn3cccc3[C@H]2C)cc1OC 30797232 NJAYPNBTVUTSEI-CYBMUJFWSA-N 314.385 2.651 0 40 DFAB C[C@@H](NCC(=O)N(C)C1CC1)c1ccc(C(F)(F)F)cc1 182434130 OOYYCFRSAHYHEO-SNVBAGLBSA-N 300.324 2.977 0 40 DFAB COC(=O)c1cc2c(I)cccc2cn1 71256410 ZPMMGANHQRMBKH-UHFFFAOYSA-N 313.094 2.626 0 40 DFAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2)c1 224427147 LYBATVZLXDZQSX-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCCC12OCCO2 225804951 NTSZGXFOJSRRBI-RYUDHWBXSA-N 323.364 2.555 0 40 DFAB Cc1noc(C)c1C(=O)N(C)C[C@H]1Cc2ccccc2CO1 225789439 SWHWTHIILZTZCL-OAHLLOKOSA-N 300.358 2.505 0 40 DFAB O=C(COc1ccc(Cl)cc1)NC[C@H](O)c1cccs1 49924832 XSNZLWNGLZZQPU-LBPRGKRZSA-N 311.790 2.630 0 40 DFAB Cc1ccccc1C(=O)N(CC(=O)O)Cc1ccc(F)cc1 225317886 AKYMTLILFAEVMV-UHFFFAOYSA-N 301.317 2.861 0 40 DFAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C)c(OC)c1OC 49544785 RYDHOMOVMYGPMI-JTQLQIEISA-N 317.345 2.570 0 40 DFAB COc1cc(N)cc(Br)c1NC(=O)c1ccco1 227147451 DMJSAHNUDYUTKB-UHFFFAOYSA-N 311.135 2.885 0 40 DFAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1 225894923 KMHYDJGTMVQFJT-MRXNPFEDSA-N 310.394 2.641 0 40 DFAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)N(C)c3ccc(F)cc3)[C@@H]2C1 190804494 MBLFIJBSMKEQFA-OAGGEKHMSA-N 322.380 2.650 0 40 DFAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)o1 96060237 PYTUJQIHZIFDLB-OAHLLOKOSA-N 315.417 2.848 0 40 DFAB CC[C@H](CO)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 96435103 XQPJTDNCRSSUQB-CQSZACIVSA-N 305.422 2.815 0 40 DFAB Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)no1 96101268 NRJCWBCCOOUKCO-UHFFFAOYSA-N 315.377 2.749 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)c1cnc(C)s1 96431661 WABVSHFLTWINTP-SNVBAGLBSA-N 306.387 2.657 0 40 DFAB C[C@H](Sc1cccs1)C(=O)NC(=O)NCC(F)(F)F 96409102 WUQIEQSGGMWYGK-LURJTMIESA-N 312.338 2.617 0 40 DFAB Cc1nc(CN2C(=O)N[C@](C)(c3cccs3)C2=O)sc1C 96461781 NVVKZZFRKKKVCM-CQSZACIVSA-N 321.427 2.789 0 40 DFAB c1coc(CNc2ccnc([C@@H]3COCCN3C3CCC3)n2)c1 96220178 XTOXSCDVXXWHGU-HNNXBMFYSA-N 314.389 2.608 0 40 DFAB O=C(c1ccccc1)N1C[C@H]2CC[C@H](Cc3cnccn3)[C@H]2C1 257281158 ONWNCPMYPQEHGT-JFIYKMOQSA-N 307.397 2.818 0 40 DFAB Cn1ccc2cc([C@H](O)CNC(=O)/C=C/c3ccco3)ccc21 252483377 DZXWWZPDGSDBFI-QQOXCAACSA-N 310.353 2.634 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@@H](c4ccncn4)C3)c2n1 257288970 PWLVPKKGBRXPTR-OAHLLOKOSA-N 322.416 2.516 0 40 DFAB COc1cccc([C@H](CNC(=O)/C=C/c2ccco2)OC)c1 96389741 JCVMOLSNTZQKEP-FDMDGMSGSA-N 301.342 2.805 0 40 DFAB Cn1cc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)cn1 575411032 XLFCCYNDCMJUFN-UHFFFAOYSA-N 306.325 2.825 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@H](C)c1c(C)n[nH]c1C 585141938 JCLWFBDMFRTJST-GFCCVEGCSA-N 307.419 2.628 0 40 DFAB O[C@H](CNC1CCCC1)COc1ccc(C(F)(F)F)cc1 67255167 HNZCBSOCHNRULC-CYBMUJFWSA-N 303.324 2.977 0 40 DFAB O=C(NOCc1ccccc1)Nc1ccc(N2CCCC2)nc1 48087078 KHUYSASBBDTNBQ-UHFFFAOYSA-N 312.373 2.935 0 40 DFAB CC(C)OCc1cccc(CNc2cnn(C)c(=O)c2Cl)c1 52359698 SQRFARXFXBXXMC-UHFFFAOYSA-N 321.808 2.971 0 40 DFAB O=C(COC1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 52667495 LUACFNZCRYQAEU-INIZCTEOSA-N 316.445 2.978 0 40 DFAB COc1ccccc1[C@@H](C)NC(=O)N1CCN2CCCC[C@@H]2C1 89909789 ZDRMIMHHMZHTFL-HUUCEWRRSA-N 317.433 2.636 0 40 DFAB CN(Cc1nc2ccccc2n1C)C(=O)c1cccc(Cl)n1 96405499 ULFMANKJJGPMGF-UHFFFAOYSA-N 314.776 2.894 0 40 DFAB CC(C)C[C@@H]1NC(=O)/C(=C\c2cccc3ccccc23)NC1=O 4029486 SLIPOWVNQZLYHO-KTZOAPACSA-N 308.381 2.841 0 40 DFAB biogenic C[C@H]1C[C@H](Cc2ccccc2C[C@@H]2C[C@H](C)OC2=O)C(=O)O1 5051687 SOAJBEJMQHFQQP-GVAFMPQTSA-N 302.370 2.675 0 40 DFAB CCOc1ccc(CC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 14202238 OKBPXSOSAQFHQJ-ZDUSSCGKSA-N 319.401 2.618 0 40 DFAB N[C@@H](Cc1ccc(OCc2ccccc2)cc1Cl)C(=O)O 15442618 IDKGBGWLEMOVRL-HNNXBMFYSA-N 305.761 2.873 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 15746627 RZNRCIQHDLGKBF-FQPOAREZSA-N 320.414 2.707 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)N1CCCCC1 5258186 ZLKXPVIESQIDQH-CQSZACIVSA-N 324.808 2.916 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 6732898 HTHCAGAFWUFODA-UHFFFAOYSA-N 316.382 2.599 0 40 DFAB O=C(c1ccccc1F)N1CCc2nc3ncccc3cc2C1 1889894311 UNTRCFGNSQSFPY-UHFFFAOYSA-N 307.328 2.967 0 40 DFAB CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](C(=O)O)[C@H](C)CC 2061000220 IBZYPBGPOGJMBF-BOAYSCNZSA-N 323.433 2.944 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccco1 5251347 DSVDHFXFDPZTMU-UHFFFAOYSA-N 306.749 2.539 0 40 DFAB CC(=O)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 2055824410 ONTOVKQADTVSBR-UHFFFAOYSA-N 306.450 2.818 0 40 DFAB Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N(C)C 23105609 VAAHBQUFBHSALO-CQSZACIVSA-N 318.442 2.854 0 40 DFAB CC(C)(C)OC(=O)N1CCC(c2cc3nccc(O)n3n2)CC1 100057878 AALGYBNRMWLQKI-UHFFFAOYSA-N 318.377 2.549 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1ccc(OC)cc1)CC(C)C 31705909 OPYACFYMWYWHQF-AWEZNQCLSA-N 322.405 2.586 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCOCCc1ccccc1 101631971 NRZVJHXUUGQOJC-CALCHBBNSA-N 313.397 2.587 0 40 DFAB C[C@@H]1C[C@@H](OC(=O)c2cccnc2Oc2ccccc2)C(=O)O1 32736605 HSMDOMITTLCQEM-BXUZGUMPSA-N 313.309 2.735 0 40 DFAB Cn1ncc2c(Nc3ccc(OC(F)F)c(F)c3)ncnc21 52463878 ALJNFOPYMFBPOO-UHFFFAOYSA-N 309.251 2.847 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nn1 32815559 OXJJOGBUGNBFRR-CYBMUJFWSA-N 304.353 2.859 0 40 DFAB O=S(=O)(CCN1CCc2sccc2C1)Oc1ccccc1 22549643 VEQCWTGBZNSQKH-UHFFFAOYSA-N 323.439 2.515 0 40 DFAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 67427 XQCGTLAKAXLAMW-CQSZACIVSA-N 306.337 2.749 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1CC 779121 ZTNJWEHAWJNFEF-UHFFFAOYSA-N 318.446 2.926 0 40 DFAB COc1ccccc1[C@@H]1C[C@H](c2cccnc2)Nc2ncnn21 2919235 FPDIORODUOBYBN-CABCVRRESA-N 307.357 2.828 0 40 DFAB C[C@H]1O[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H](N)[C@H]1O 1761337 FNYXWTZNPWCPNY-XEKGUZQTSA-N 313.397 2.693 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)CCc2c(C)noc2Cl)no1 78890108 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COc1ccc2[nH]cc(C3=CCN([C@H]4CCOC4=O)CC3)c2c1 40554267 LQDRYQFJWHPTLE-KRWDZBQOSA-N 312.369 2.581 0 40 DFAB CN(Cc1ccsc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 32771917 ZVWCRNFDKPIJCZ-OAHLLOKOSA-N 314.410 2.508 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1 32912567 OKUUHZOCWZKYRO-HNNXBMFYSA-N 322.311 2.829 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC1CCCCC1 32975617 ZCADOVCMTNTUKN-UHFFFAOYSA-N 317.385 2.870 0 40 DFAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(F)cc1 22402449 WOMYGRXPUPDSSH-SECBINFHSA-N 315.270 2.918 0 40 DFAB O=C1COc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2N1 8924787 TUVXEZOVGGAXGZ-UHFFFAOYSA-N 304.252 2.548 0 40 DFAB O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc[nH]n1 78971790 CVKSNDFFZDURBT-UHFFFAOYSA-N 312.304 2.775 0 40 DFAB Cn1c(CNc2cccc3c2OCCO3)nnc1-c1ccccc1 92939832 ZDTYHBAMZQNXSW-UHFFFAOYSA-N 322.368 2.865 0 40 DFAB COc1ccc2oc(=O)c(C(=O)N3CCCC[C@H]3C)cc2c1 811019 AAAZOTPSGDAGFW-LLVKDONJSA-N 301.342 2.816 0 40 DFAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cccs2)C1 23019278 DMGDPSLJSPKJKQ-LBPRGKRZSA-N 315.398 2.634 0 40 DFAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)Nc1nc[nH]n1 23140962 IITHOHTZVNOVHW-UHFFFAOYSA-N 303.709 2.674 0 40 DFAB CCCC(=O)c1cn(CC(=O)NCCCOC)c2ccccc12 6026132 RWZWHSPMQHTCKB-UHFFFAOYSA-N 316.401 2.777 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102910858 DASWPRHZFIZMDP-OZVIIMIRSA-N 308.447 2.549 0 40 DFAB CCc1nnc(SCCCOc2ccc(C(=O)O)cc2)n1C 8731684 XFCVLJHNPZFNTL-UHFFFAOYSA-N 321.402 2.637 0 40 DFAB Cc1cc(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)no1 24978906 MIPRTNJCIFZVGA-SNVBAGLBSA-N 312.420 2.898 0 40 DFAB COc1ccc(OC)c(NC(=O)COC(=O)CC(C)(C)C)c1 3226448 XYZRQNDGEWCISG-UHFFFAOYSA-N 309.362 2.622 0 40 DFAB Cc1ccc(OCCC(=O)NCCc2nc3ccccc3[nH]2)cc1 26963875 CWAXJEVYCRWLKQ-UHFFFAOYSA-N 323.396 2.999 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1N 20220673 MGYVPAXFKPSHFF-UHFFFAOYSA-N 313.376 2.679 0 40 DFAB O=C(COc1cccc2c1CCC2=O)NCCc1cccs1 44892880 XBCYZFYEKXJDLC-UHFFFAOYSA-N 315.394 2.615 0 40 DFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)Cn1cccn1 44934078 MVGMHOLCMJOYFB-LLVKDONJSA-N 323.828 2.516 0 40 DFAB Cc1cc(CN(C)C(=O)COc2ccc(F)cc2Cl)no1 44911617 WQAMDZLUKKFZPC-UHFFFAOYSA-N 312.728 2.813 0 40 DFAB COC(=O)C(C(=O)O)=C1SC2=C(SCCS2)S1 2172795 SQCAEHGKKDFBDP-UHFFFAOYSA-N 308.427 2.542 0 40 DFAB COc1ncccc1NC(=O)N[C@@](C)(CO)C1CCCCC1 172684012 BQYCXOJRPMAUKS-INIZCTEOSA-N 307.394 2.543 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)Cc1ccccc1 28037742 DRKNCWMSEXMJNS-UHFFFAOYSA-N 315.398 2.525 0 40 DFAB CC(C)CCNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 28193422 HUGAEXYOEPFIFB-BJMVGYQFSA-N 300.402 2.754 0 40 DFAB Cc1ccc(-n2c(CCC(=O)O)nc3ccccc3c2=O)cc1 3319717 VMHYUORJTOJXRQ-UHFFFAOYSA-N 308.337 2.711 0 40 DFAB CCc1nc(CC(=O)Nc2cccc(OCCOC)c2)cs1 55312592 BEVBLZKWZGIHQS-UHFFFAOYSA-N 320.414 2.912 0 40 DFAB O=C1NCCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)o1 11328583 KIFFVMFVHKPQKP-NSHDSACASA-N 307.350 2.637 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1sccc1-n1cccc1 48341011 SMHHLHLJJWJZGF-CYBMUJFWSA-N 303.431 2.753 0 40 DFAB CC1=NN(c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 45790855 NAPBJIHEQKNRFS-KBPBESRZSA-N 301.390 2.522 0 40 DFAB O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@@H]2CCCC[C@@H]21 46486950 QOHOFSAZLRNBHC-XJKSGUPXSA-N 313.353 2.577 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 69104600 DOIIVEYIRBJKNR-XUJVJEKNSA-N 312.435 2.785 0 40 DFAB Cn1ncc2c(NCc3ccccc3N3CCCC3)ncnc21 49979864 SNEOZGBUCCPOOR-UHFFFAOYSA-N 308.389 2.576 0 40 DFAB COc1ccc2[nH]c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2c1 5267538 XKADSWIUSBUPSB-QWRGUYRKSA-N 302.374 2.734 0 40 DFAB Cc1nc2n(c1C)CCN([C@@H](C)c1nc(C(C)(C)C)no1)C2 65487579 SCJNWJOKDRLMSN-LBPRGKRZSA-N 303.410 2.757 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 14189136 ZOGKVBYOISICJB-AWEZNQCLSA-N 320.389 2.942 0 40 DFAB CCn1ncc(N2C[C@H](C)C[C@@H](C)C2)c(Br)c1=O 28304816 FCBHPMYNGPHAMQ-NXEZZACHSA-N 314.227 2.508 0 40 DFAB c1ccc(OC[C@@H]2C[C@@H]3OCCN(Cc4ccoc4)[C@H]3C2)nc1 306124560 BTOLSDAYMMHSTF-ULQDDVLXSA-N 314.385 2.733 0 40 DFAB Cc1ncn(Cc2nnc(C(=O)Nc3ccccc3)s2)c1C 97236120 IPLGJSIVRBITIA-UHFFFAOYSA-N 313.386 2.652 0 40 DFAB CNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)s1 7101529 CFSBRQMGORERJB-VIFPVBQESA-N 308.432 2.549 0 40 DFAB CCc1ccc(-c2nc(C(C)(C)OC)no2)cc1S(C)(=O)=O 96487419 VSKKRNNBICTMMD-UHFFFAOYSA-N 324.402 2.584 0 40 DFAB COC(=O)CC(C)(C)CC(=O)N1CCC(C(F)(F)F)CC1 96492971 FDCRMNGAZHMXDD-UHFFFAOYSA-N 309.328 2.767 0 40 DFAB CCc1nnsc1C(=O)N1c2ccccc2N(C)CC[C@H]1C 96423991 ICSHMBQLVKNCHV-LLVKDONJSA-N 316.430 2.976 0 40 DFAB CSC[C@@H]1CCN(S(=O)(=O)C[C@H](C)c2ccccc2)C1 110690345 MUUXOMIJNMIUNG-UONOGXRCSA-N 313.488 2.805 0 40 DFAB CCc1ccc(C(C)(C)NC(=O)c2ccc3nncn3c2)cc1 81702673 FAZBVZJLIMTXJP-UHFFFAOYSA-N 308.385 2.957 0 40 DFAB O=C(Cc1nc(-c2ccc(Cl)cc2)cs1)N1CCOCC1 8297715 XNGQJUJZYRJQQI-UHFFFAOYSA-N 322.817 2.865 0 40 DFAB C[C@@H](NC(=O)c1nccc2ccccc12)C(=O)Nc1ccccc1 71899417 CCGZNFADJASXFT-CYBMUJFWSA-N 319.364 2.992 0 40 DFAB COc1cccc2c(C)c(C(=O)N(C)C3CCN(C)CC3)oc12 69583560 UIIAIEBFXOLVDV-UHFFFAOYSA-N 316.401 2.916 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)Cc2cccc3cccnc23)cn1 69843645 BHVZLOMGYVTGNI-KRWDZBQOSA-N 320.396 2.875 0 40 DFAB O=C(c1cccc[n+]1[O-])N(Cc1ccco1)Cc1cccs1 72008450 MSGJZSXPPKNKRO-UHFFFAOYSA-N 314.366 2.817 0 40 DFAB Cc1ccc2cc(C(=O)OCCCn3ccccc3=O)ccc2n1 97022191 ALIZIQWWNKLYAR-UHFFFAOYSA-N 322.364 2.952 0 40 DFAB O=C(N[C@@H](CCO)c1ccccc1)c1ccn(C2CCCC2)n1 95445589 MTZVFDDFFUJJGM-INIZCTEOSA-N 313.401 2.852 0 40 DFAB Cn1cc([C@@]2(C)CN(C(=O)C3CCCCCCC3)CCO2)cn1 95416014 SHISWKGPOZCVLM-GOSISDBHSA-N 319.449 2.855 0 40 DFAB O=C(Nc1cnc2c(c1)COCC2)c1ccc2ccccc2n1 95464403 GDAGZWXKQGMVDX-UHFFFAOYSA-N 305.337 2.955 0 40 DFAB CCCc1nnnn1Cc1nc2cc(C(F)(F)F)ccc2o1 95425965 QNZQKZQTRWPJBJ-UHFFFAOYSA-N 311.267 2.834 0 40 DFAB COc1cc(CNC(=O)c2ccc(O)c(Cl)c2)ccc1O 73772175 VQMCAGDTVDSXEG-UHFFFAOYSA-N 307.733 2.690 0 40 DFAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCCCCC1 95964401 WLJXIHCHCMNUJV-MNVSYLFESA-N 300.468 2.652 0 40 DFAB COc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 20250687 SNSZXVJOOZLWPS-LLVKDONJSA-N 316.332 2.591 0 40 DFAB COc1cccc2cc([C@@H](C)N[C@@H](C)Cn3cncn3)oc12 95987849 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O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccnc1 71806125 DGTIKKKHWQTTEB-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB Cn1cncc1CC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1544455453 PTRMBYLPSQDSHO-OAHLLOKOSA-N 322.412 2.850 0 40 DFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72270604 HNORXKKNZQNNBZ-HOCLYGCPSA-N 324.428 2.567 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)NC1CCC(C)CC1 7657506 NOLUSFLAYFJILV-UHFFFAOYSA-N 322.430 2.655 0 40 DFAB CCOc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72211763 QROINNBPZAELIH-UHFFFAOYSA-N 308.378 2.968 0 40 DFAB CCc1sc([C@@H]2N[C@@H](C(=O)O)CS2)cc1Br 36612368 TYQDAKWUXOJSMN-HZGVNTEJSA-N 322.249 2.861 0 40 DFAB COc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CCCO2)o1 72265319 OCHNLIJCFNUSBM-LBPRGKRZSA-N 317.341 2.989 0 40 DFAB Cc1nc(C(C)C)ncc1C(=O)N1CCN(c2ccccc2)CC1 222573335 BLCPUHPGIUDNOK-UHFFFAOYSA-N 324.428 2.871 0 40 DFAB CCSc1ccc(Cl)cc1C(=O)NCC(C)(C)C(N)=O 84181652 RVRLLNCRERWXDI-UHFFFAOYSA-N 314.838 2.693 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)[C@H]2COc3ccccc32)CC1 133663800 ODCYTICVRDBMNU-IGHZYHEGSA-N 302.418 2.588 0 40 DFAB Cc1ccccc1Nc1ncnc2c1cnn2C1CCNCC1 228934058 WQSZQIKRGVDIJE-UHFFFAOYSA-N 308.389 2.803 0 40 DFAB CC[C@@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c12 575444508 NLMATDJYFCBUNC-YGRLFVJLSA-N 319.405 2.791 0 40 DFAB C[C@H](CO)CN[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C 195553509 QLCWONAOFXJIHH-UWVGGRQHSA-N 315.339 2.871 0 40 DFAB Cc1cnc2n1CCN(C)C21CCN(Cc2cccs2)CC1 96036993 PFSREJZQPQQBSX-UHFFFAOYSA-N 316.474 2.690 0 40 DFAB c1cc(CNC(C2CC2)C2CC2)cc(CN2CCOCC2)c1 95420521 HFVQSBITWOWKFK-UHFFFAOYSA-N 300.446 2.797 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)N[C@@H](CCO)C1CC1 96422082 TWZMCRVADVAVPM-INIZCTEOSA-N 318.417 2.578 0 40 DFAB CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC(C)C)cc1 96430580 IGJIKJJKFOVABL-UHFFFAOYSA-N 302.418 2.997 0 40 DFAB CON(C)C(=O)c1cc(Br)cc(Br)c1 141389664 HEMNULDORCOKRY-UHFFFAOYSA-N 322.984 2.845 0 40 DFAB CC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C)cc(C)cc1C 96473768 WEMZWHWQGUOAEJ-GOSISDBHSA-N 320.433 2.872 0 40 DFAB CC[C@](Br)(C(=O)c1cccc(F)c1)S(C)(=O)=O 96518685 OSAOYLOCKLKDKE-LLVKDONJSA-N 323.183 2.554 0 40 DFAB CC[C@](C)(NC(=O)c1ccnc(N(C)C)c1)c1nccs1 96416677 HWDDBDXAJYKRIK-HNNXBMFYSA-N 304.419 2.659 0 40 DFAB O=C(NCC(F)F)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 96490519 IXTHBQJJAPYFRY-PWSUYJOCSA-N 304.724 2.734 0 40 DFAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]3O2)n1 96058190 MUQRMMGRZNXJGN-NUEKZKHPSA-N 317.364 2.869 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccc(C)c(F)c2)n1 96120983 HIRZDHOSKZWWFR-UHFFFAOYSA-N 317.368 2.620 0 40 DFAB O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2noc(C3CC3)n2)C1 583615487 BYYLSIPMYIIIQI-FZMZJTMJSA-N 321.327 2.533 0 40 DFAB c1ccc(CCN2CCC(OC[C@@H]3CCCCO3)CC2)nc1 96455942 BCHXOQVXDXJUFF-SFHVURJKSA-N 304.434 2.674 0 40 DFAB CC(C)(C)c1nnc(NCCc2n[nH]c(-c3ccco3)n2)s1 96473882 KZGASDYTCACIHT-UHFFFAOYSA-N 318.406 2.868 0 40 DFAB Cc1ccc([C@H]2CCCCCN2C[C@H](O)Cn2cccn2)o1 96415018 JFWWXJKCNUQOMD-JKSUJKDBSA-N 303.406 2.763 0 40 DFAB CC(C)COC[C@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 96060231 GAXZSKJWJQRKRU-OAHLLOKOSA-N 303.406 2.785 0 40 DFAB O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1CC1CC1 96217942 HLRATDYJTCLYRG-LJQANCHMSA-N 313.445 2.839 0 40 DFAB CCOC[C@H]1CCN(C)C2(C1)CN(Cc1ccccc1F)C2 248161725 XTEIEZPOWLPYAO-HNNXBMFYSA-N 306.425 2.758 0 40 DFAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2sccc2C)C1 257297516 RHOUYJPWGDGGGG-LSDHHAIUSA-N 320.458 2.920 0 40 DFAB CC[C@@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 253577186 WTNJGOZLMGQCDK-ABAIWWIYSA-N 322.355 2.861 0 40 DFAB c1cncc(OC[C@@H]2CN(Cc3ccco3)Cc3ccnn32)c1 253588488 FKANZJASOIDTMB-HNNXBMFYSA-N 310.357 2.507 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)s1 257295328 QXWZBYFPBPUPSK-GFCCVEGCSA-N 317.414 2.501 0 40 DFAB CC[C@H]1CCCCN1c1nn(-c2ccccc2)nc1C(=O)O 256048704 VOCZVMHOHHQOQW-LBPRGKRZSA-N 300.362 2.734 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)ccn1 257241224 HXFAQFMDGJQJOH-AWEZNQCLSA-N 316.430 2.794 0 40 DFAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2c2ncccn2)n1 257233868 GRCKAINMBFIQHH-CQSZACIVSA-N 321.388 2.697 0 40 DFAB Cc1cccc2sc(NC(=O)c3cc4n(n3)CCCO4)nc12 90626701 PPAOWAZRGUAAQK-UHFFFAOYSA-N 314.370 2.836 0 40 DFAB CO[C@@H]1CSC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2 575403964 JNHKIGUMUFJHCL-NSHDSACASA-N 309.456 2.583 0 40 DFAB COc1nscc1CN(C)c1ccc(C(F)(F)F)nn1 1548524201 ALCPSNURYLEHDE-UHFFFAOYSA-N 304.297 2.597 0 40 DFAB Cc1ccc([C@H]2CCCN2S(=O)(=O)C[C@@H]2CCCCO2)o1 72286614 FNXLLSLBJCMINK-UONOGXRCSA-N 313.419 2.624 0 40 DFAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cccnc3)C2)ccn1 1776000792 KNRCYMOXTZFWOU-HNNXBMFYSA-N 311.385 2.716 0 40 DFAB CCOc1ccccc1C(=O)N1CCC(c2nc(C)no2)CC1 54664314 NUHPDAJNSKRFNQ-UHFFFAOYSA-N 315.373 2.797 0 40 DFAB O=C(/C=C/c1ccco1)NCC(=O)NC1(c2ccccc2)CCC1 56417087 DJNHUAFNAFMVGX-MDZDMXLPSA-N 324.380 2.605 0 40 DFAB c1cc2c(cc1[C@H](NCC1CCOCC1)C1CC1)OCCO2 75104035 SRROVWPNZDWMMM-GOSISDBHSA-N 303.402 2.925 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)COC3)no1 78881246 FZQVDGPZXACZSO-AWEZNQCLSA-N 313.357 2.640 0 40 DFAB CO[C@]1(CNC(=O)c2cccc(C(F)(F)F)c2)CCSC1 96097603 PBBZENNVBHZTPO-ZDUSSCGKSA-N 319.348 2.957 0 40 DFAB Cc1nn(CCO[C@@H]2CCCCO2)c(C)c1Br 193386215 QDBPPNVFJBEVOZ-LLVKDONJSA-N 303.200 2.806 0 40 DFAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 5195863 CSZNGYYCVQJJMI-UHFFFAOYSA-N 314.341 2.576 0 40 DFAB COc1ccccc1-c1nnc2sc(-c3cc(C)on3)nn12 12391826 FNOFPZIXPJPGOE-UHFFFAOYSA-N 313.342 2.825 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1 12407032 VEYZXGXQALVHHU-OCCSQVGLSA-N 315.398 2.691 0 40 DFAB COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12 13116841 XIIVPABVOIFYAE-UHFFFAOYSA-N 314.366 2.528 0 40 DFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nnnc3N2)cc1 13121786 ORNSWOUUPNRXFL-CVEARBPZSA-N 307.357 2.828 0 40 DFAB CC(C)(C)OC(=O)COc1ccc(Br)cc1C=O 15042193 JDBYWVKDHRNZLA-UHFFFAOYSA-N 315.163 2.982 0 40 DFAB Clc1ccc2nc(N3CCC4(CC3)OCCO4)cnc2c1 858340679 LCIDXVREMFGOMB-UHFFFAOYSA-N 305.765 2.627 0 40 DFAB COc1cc(CC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1O 239593092 DOOLAAQSRCCNOK-MRXNPFEDSA-N 311.381 2.959 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1n[nH]cc1Br 28233782 FPQNDPCEGDHQHX-UHFFFAOYSA-N 302.078 2.703 0 40 DFAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1cn2cc(Cl)ccc2n1 1565552129 LIRVYOMUSUVAPC-SUHUHFCYSA-N 319.792 2.627 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCCN([C@H]2CCSC2)CC1 1565523689 UKOLAZMSDPJNCV-OZSKJFCKSA-N 316.470 2.740 0 40 DFAB COc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1 139798 ZFXIJHLHQLACMF-UHFFFAOYSA-N 321.340 2.725 0 40 DFAB O=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(F)cc1 4484169 YIMMJBWNDRXJDS-UHFFFAOYSA-N 322.288 2.904 0 40 DFAB COc1ccc(OC)c(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)c1 11694722 NHRYOCPXWGGVGM-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB COc1ccc(C)cc1NC(=O)c1c(O)c2ccccc2[nH]c1=O 12414651 UJDZYEUSAAMJMA-UHFFFAOYSA-N 324.336 2.803 0 40 DFAB O=C(NCc1ccccc1)c1cn(-c2cccc(Cl)c2)nn1 13355676 IILRBFCUEQJITM-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O 4081388 KPTQFNUKAKVGSS-VROKRIHVSA-N 306.446 2.643 0 40 DFAB biogenic CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 50062912 USJHFAXZSDSDIV-UHFFFAOYSA-N 324.384 2.541 0 40 DFAB CCc1nn2c(=O)cc(CNc3cccc(C)c3)nc2s1 40466017 LAYPRJUQNDIQED-UHFFFAOYSA-N 300.387 2.634 0 40 DFAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 134958 OVTXHOLTYJOLLM-IBGZPJMESA-N 309.365 2.822 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)n1cnnn1 32094648 WANXEKXUFJLPOC-CQSZACIVSA-N 313.748 2.555 0 40 DFAB O=C(O)c1ccccc1C(=O)Nc1nc2c(s1)CCCC2 275765 GKCVAWYRXGKOSH-UHFFFAOYSA-N 302.355 2.972 0 40 DFAB Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(C)o1 21057533 ORYUIOJQQRPEGB-BETUJISGSA-N 308.422 2.514 0 40 DFAB Cc1cccc(OS(=O)(=O)c2c(C)nn(C)c2Cl)c1C 32934640 JCOQQLNLUQYPEU-UHFFFAOYSA-N 314.794 2.766 0 40 DFAB Cc1ccccc1C(=O)c1ccccc1CN1CCN(C)CC1 22028120 NJTANSBHWFENLC-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB C[C@H](C(=O)Nc1ccccc1)n1ncc(-c2ccccc2)nc1=O 33324545 SSYMPTVRHVZBLC-CYBMUJFWSA-N 320.352 2.505 0 40 DFAB COc1ccc2c(CC(=O)N3CCO[C@H]4CCC[C@@H]43)coc2c1 53382220 VJABZUJZNHFJLY-HOTGVXAUSA-N 315.369 2.764 0 40 DFAB CCCn1nnc(NC(=O)c2cccc(O[C@H](C)CC)c2)n1 569369 CEAYEEBCZHPPBI-LLVKDONJSA-N 303.366 2.513 0 40 DFAB O=c1cc(CSCc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]1 984070 CKPLZBGDXXLAMH-UHFFFAOYSA-N 317.197 2.803 0 40 DFAB COc1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1OC 2347884 FXNOTGCZQPYQQF-UVTDQMKNSA-N 308.337 2.621 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)c1n[nH]c(=O)c2ccccc12 2629123 PWYVHNNYMDIEFU-UHFFFAOYSA-N 305.337 2.664 0 40 DFAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 3614645 BHIIOZDPXKRJEA-ZBEGNZNMSA-N 301.317 2.843 0 40 DFAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1Cl 4168022 SHJARXWEUGHKHI-UHFFFAOYSA-N 323.801 2.894 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)Nc2nccs2)cc1 6514742 KIJXIXGCPZHASO-UHFFFAOYSA-N 307.400 2.832 0 40 DFAB Cc1cc(C)n2nc(SCc3cn4cccc(C)c4n3)nc2n1 7984965 MEUBOOYJJQTPLZ-UHFFFAOYSA-N 324.413 2.990 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@H](C)n2nc(C)c(C)c2C)cc1 8714479 NVTQQZOAOWFVIX-LBPRGKRZSA-N 321.446 2.656 0 40 DFAB CCOC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 10693938 FMZDGMNVTYIGHG-UHFFFAOYSA-N 321.358 2.503 0 40 DFAB CCn1c(C)cc(C(=O)COC(=O)c2ccc(O)cc2)c1C 11077717 FKGHWUHINZSIEF-UHFFFAOYSA-N 301.342 2.870 0 40 DFAB Cc1ccccc1OCC(=O)NCc1cnn(-c2ccccc2)c1 11559434 NKNRDYNVUWXDMZ-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB O=S(=O)(NCC1(c2ccccc2)CCCC1)c1cccnc1 12362357 PNMHRJLVCHMXAF-UHFFFAOYSA-N 316.426 2.872 0 40 DFAB COc1cccc(-c2cc(CC(=O)NCc3ccncc3)no2)c1 12634094 KFOKMODAWSQHNO-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB Cn1cccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12975199 RDPBSTRBGMWKTC-HNNXBMFYSA-N 301.390 2.575 0 40 DFAB CCn1c(=O)n(Cc2ccc3ccccc3n2)c2cccnc21 13566130 LVZTXVHXNQICDZ-UHFFFAOYSA-N 304.353 2.814 0 40 DFAB CCC[C@@H]1NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O 14112426 NIIGODULTZEVAD-HNNXBMFYSA-N 304.390 2.793 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)C2CC2)CC1 15011573 VTHBXJZORPDBDH-UHFFFAOYSA-N 308.328 2.552 0 40 DFAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1 15860110 SYPRTTWVHNTKNF-MRXNPFEDSA-N 316.401 2.694 0 40 DFAB O=C1O[C@H](N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 20169270 MIMOZOYVYMDVDU-KRWDZBQOSA-N 312.344 2.817 0 40 DFAB CCn1c(SCc2cccc(C)c2)nc2c(=O)[nH]cnc21 20214915 AIRNEEJHCIQLHP-UHFFFAOYSA-N 300.387 2.740 0 40 DFAB COc1cccc([C@H]2SCC(O)=Nc3n[nH]cc32)c1OC 20734885 FBDDBLKANJDJLR-CYBMUJFWSA-N 305.359 2.851 0 40 DFAB Cc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(C)c2ccccc21 20758969 VAGBRPGRCANJJB-FQEVSTJZSA-N 317.392 2.842 0 40 DFAB biogenic COc1ccccc1C(=O)c1ccccc1CN1CCN(C)CC1 22028128 ZGUFNRMUCVMREE-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB COc1ccc(CN(C(=O)c2cccnc2)C2CC2)c(OC)c1 25291952 ZFWKWNIAZULHCV-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB Cc1ccsc1CNC(=O)c1ccc2c(c1)CCC(=O)N2 25719251 JUNQYVOUUIQYGO-UHFFFAOYSA-N 300.383 2.871 0 40 DFAB Cc1cc(C)c(CNC(=O)C2(c3ccccc3)CCC2)c(=O)[nH]1 26310975 FRRMGZALVPOCHI-UHFFFAOYSA-N 310.397 2.730 0 40 DFAB O=C(NCc1cccnc1)c1ccc(Cn2cc(Cl)cn2)o1 27982210 UVKKSURYHLYUSG-UHFFFAOYSA-N 316.748 2.503 0 40 DFAB COc1cccc(NC(=O)[C@H](C)n2cc(Br)cn2)c1 28224103 GKDRXQZBAPBAPV-VIFPVBQESA-N 324.178 2.854 0 40 DFAB C[C@H]1C[C@@H]1CNC(=O)CCCc1nc(-c2cccs2)no1 32392757 FGTMBVLBUSTPMY-WDEREUQCSA-N 305.403 2.893 0 40 DFAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2[nH]nnc2c1 32895220 XKQFFODLFNAPHB-ZJUUUORDSA-N 312.295 2.809 0 40 DFAB COc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cn1 36078105 TZYUAKGHTCGVHP-UHFFFAOYSA-N 312.778 2.686 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cn1 40158749 MSHJXZWZROOKJF-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB CN1C(=O)[C@](C)(C(=O)N2CCCCC2)Sc2ccccc21 40774645 VYBXJDNXMOGUKB-MRXNPFEDSA-N 304.415 2.526 0 40 DFAB CC(C)[C@H](NC(=O)NC[C@@H]1CCOC1)c1nc2ccccc2[nH]1 43104352 PIDLJYLBFLRKDT-WFASDCNBSA-N 316.405 2.596 0 40 DFAB CSc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 44973570 PCIRJRVUVKTDQL-SNVBAGLBSA-N 304.371 2.759 0 40 DFAB Cc1cc2ncn(C[C@H](O)CNCc3cccs3)c2cc1C 48230454 AADFPDYNUNYZRA-CQSZACIVSA-N 315.442 2.865 0 40 DFAB COCCOc1ccccc1CNC(=O)N1CCCC[C@@H]1C 52585102 RHVPEJLOXXANHL-AWEZNQCLSA-N 306.406 2.796 0 40 DFAB CCc1nnc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)s1 57776391 HUOJWUYSRBEDDK-CQSZACIVSA-N 316.430 2.876 0 40 DFAB CC1CCC(C)(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 58214997 GWAXMWPHUNUGPP-UHFFFAOYSA-N 309.431 2.789 0 40 DFAB COCCNc1ccc(CNC(=O)NCC2CCCC2)cc1 58328989 NBDZQXVAQZHXJV-UHFFFAOYSA-N 305.422 2.734 0 40 DFAB Cc1ccc([C@H](C)N(C)C(=O)c2nc3nccc(C)n3n2)s1 58392411 AKDNCDXSELZKFD-NSHDSACASA-N 315.402 2.636 0 40 DFAB O=C(Cc1nc(-c2ccccn2)n[nH]1)Nc1cccc(Cl)c1 65232601 QYLQVKACOIMLGT-UHFFFAOYSA-N 313.748 2.701 0 40 DFAB C[C@H](CC(=O)Nc1ccn(Cc2ccccn2)n1)n1cccc1 65493148 RMRJGLFDQOYNRS-CQSZACIVSA-N 309.373 2.718 0 40 DFAB Cc1cc(C(=O)N2CCOC(C)(C)C2)c(C)n1-c1cccnc1 65542307 NXHLGDKTAUUGQD-UHFFFAOYSA-N 313.401 2.740 0 40 DFAB Cn1ccnc1-c1ccc(NC[C@H]2CCc3ccccc3O2)nn1 67773591 SFWQVNXNERCFLT-CQSZACIVSA-N 321.384 2.683 0 40 DFAB Cc1ccc(NC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)c(O)c1 68411136 BDTJXXYASOYXCT-CJNGLKHVSA-N 307.390 2.859 0 40 DFAB O=C(NCC1CCC1)c1ccc(CN2CCSCC2)cc1 69452735 ZVMNUBIRGWVHTA-UHFFFAOYSA-N 304.459 2.765 0 40 DFAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)C1CCCCC1 69495457 BBXIRCTUQVLMNL-OAHLLOKOSA-N 311.422 2.975 0 40 DFAB C[C@H](NC(=O)NCCCOc1ccccc1)c1nccs1 71879684 NUPWHIRTVINFAF-LBPRGKRZSA-N 305.403 2.972 0 40 DFAB COc1cc(F)c(NC(=O)COCc2ccccc2)cc1OC 71884401 LSSMOWGPEIDVPH-UHFFFAOYSA-N 319.332 2.998 0 40 DFAB CSCC(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 71915344 HPGRODVAZSGQEH-UHFFFAOYSA-N 321.490 2.766 0 40 DFAB O=C(Nc1nccs1)c1cc(Sc2ncccn2)ccn1 72243491 RPKNWCJEJOWSAQ-UHFFFAOYSA-N 315.383 2.732 0 40 DFAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C)C3)nc(C)n2)n1 72360109 ZRKNIMJJVAPACZ-CQSZACIVSA-N 312.421 2.745 0 40 DFAB CC(=O)N1CCC[C@H]1c1cccc(NCC2CCOCC2)n1 72365449 BDNKUDJMZRWRNB-INIZCTEOSA-N 303.406 2.604 0 40 DFAB CCC(=O)N1CC[C@H]1c1cc(Nc2nccs2)nc(C)n1 72384762 LOAFAHMXGCLEHM-NSHDSACASA-N 303.391 2.669 0 40 DFAB CC(=O)c1cnc(Nc2nc(=O)c3ccccc3s2)nc1C 72467812 OPGMWDLSRSVNLX-UHFFFAOYSA-N 312.354 2.701 0 40 DFAB Cc1noc(C)c1CNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 73074801 HYXJTRCIBMBGMK-SNVBAGLBSA-N 318.348 2.956 0 40 DFAB O=CNc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 73950251 HOUZIZJHRSNYEX-MRXNPFEDSA-N 308.381 2.960 0 40 DFAB O=C(NC[C@H](O)c1cccs1)C1(c2ccc(F)cc2)CC1 75156004 XPJQNLSNCPDWIA-ZDUSSCGKSA-N 305.374 2.769 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1ccccc1C(F)(F)F 77512743 GBCQUDQAWBENHY-VIFPVBQESA-N 322.352 2.941 0 40 DFAB COCCCn1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)n1 77514290 DRYGHOWPZRMBRT-CYBMUJFWSA-N 317.393 2.540 0 40 DFAB C[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1cccs1 77633883 LCXIJRBXAXAORC-CABZTGNLSA-N 311.353 2.980 0 40 DFAB O=C(NCc1ccncc1)Nc1cc(F)ccc1-n1cccn1 78611680 DUAGMXUWCQWQPE-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB Cc1cc(O)c(C(C)C)cc1NC(=O)CCN1CCCC1=O 79072606 FXQRCBGDVDFJMU-UHFFFAOYSA-N 304.390 2.775 0 40 DFAB NCCSC1CCC(NC(=O)OCc2ccccc2)CC1 79392282 OILQDFCHVCMKBG-UHFFFAOYSA-N 308.447 2.916 0 40 DFAB C/C=C/C[S@](=O)Cc1cn2cc(Br)ccc2n1 83952898 SFHMRAZLCAEITD-RCAFFNEUSA-N 313.220 2.922 0 40 DFAB Cc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)c(=O)[nH]1 89610868 DKTPSGSTPFYQII-UHFFFAOYSA-N 312.247 2.676 0 40 DFAB CCC1(CNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CCC1 89948177 YNHDQSWBSHGJSA-BBRMVZONSA-N 312.479 2.921 0 40 DFAB C[C@H]1CN(Cc2ccc(CO)o2)C[C@H](c2ccc(F)cc2)O1 93606410 OGNICSNFKJUZLV-YVEFUNNKSA-N 305.349 2.873 0 40 DFAB COc1ccc(-c2noc(COc3c(C)nn(C)c3C)n2)cc1 95411123 BJULEGDQQZWWFQ-UHFFFAOYSA-N 314.345 2.675 0 40 DFAB CNC(=O)c1cccc(CCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 95433898 VXBVXJSREHFJNQ-OKILXGFUSA-N 302.418 2.768 0 40 DFAB CC(C)C(=O)NCCCNC(=O)Nc1cc(F)cc(Cl)c1 95440682 MSKWINSHRPMQAI-UHFFFAOYSA-N 315.776 2.763 0 40 DFAB CCC(=O)N1CCC(N[C@H](C)C[C@H](O)c2ccc(F)cc2)CC1 95448585 PPVDBLYFRJSEKL-DYVFJYSZSA-N 322.424 2.628 0 40 DFAB COC(=O)c1cc(=O)c2ccccc2n1Cc1ccccc1F 95469208 BELGVHDZQCCFFM-UHFFFAOYSA-N 311.312 2.976 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc(O)c1 95474231 MCSJWNQCHXRHOM-CYBMUJFWSA-N 319.386 2.887 0 40 DFAB C[C@](NC(=O)c1ccc(Cn2cccc2)cc1)(C(=O)O)C1CC1 95989593 MJLAQIQQRWIARD-GOSISDBHSA-N 312.369 2.520 0 40 DFAB CCOc1ccc(NC(=O)N2CC[C@H]3CN(C)CC[C@H]32)cc1 95996462 WUNNFHBTJSPBOI-XJKSGUPXSA-N 303.406 2.643 0 40 DFAB C[C@H](C[S@@](C)=O)NC(=O)Nc1cnc(-c2ccccc2)s1 96010614 GSLLQRGQZSDJQI-UZJPJQLHSA-N 323.443 2.699 0 40 DFAB CCn1c(NC(=O)c2cncc(O)c2)nc2cc(F)ccc21 96011077 INWLNBBHDJKIMN-UHFFFAOYSA-N 300.293 2.548 0 40 DFAB COC(=O)[C@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 96029635 QZVXWAMKIRAQPP-INIZCTEOSA-N 309.365 2.798 0 40 DFAB c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2cccs2)c1 96042111 DKVWEQRQDAJYES-YESZJQIVSA-N 316.426 2.954 0 40 DFAB Fc1ccc(CN2C[C@@H]3OCCN(CC4CCCC4)[C@@H]3C2)cc1 96248704 LQDJJKPVIOTLAR-MOPGFXCFSA-N 318.436 2.901 0 40 DFAB CC(C)Cn1c2c(ccc1=O)C[C@@H](NC(=O)CC(C)(C)C)CC2 96260647 HFVVMDXDITYKSD-HNNXBMFYSA-N 318.461 2.914 0 40 DFAB CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96404726 NCZOOMYFOSQXHC-QLFBSQMISA-N 320.820 2.571 0 40 DFAB O=C(NCC1(O)CCC1)Nc1ccc(N2CCCC2)c(Cl)c1 96415956 FZFUCKZRMZDELP-UHFFFAOYSA-N 323.824 2.977 0 40 DFAB COC(=O)[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)C(C)(C)C 96416835 SLFMJKNAKPZYMI-CQSZACIVSA-N 316.357 2.659 0 40 DFAB CCN(C(=O)CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 96443445 GHKSRCZTGOCCHD-JQHSSLGASA-N 316.445 2.785 0 40 DFAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN)o3)nc2C1 97019742 RTWMOOOIQOOZSU-UHFFFAOYSA-N 319.386 2.602 0 40 DFAB CN(CC(=O)NC1CC1)Cc1cc(C(F)(F)F)ccc1F 97032565 AEPMQKMQWQNDLT-UHFFFAOYSA-N 304.287 2.555 0 40 DFAB CCn1nc(C)c(NC(=O)NCC[C@H](C)N2CCCCC2)c1C 97107521 ZRFXFAHVSHUEQR-ZDUSSCGKSA-N 321.469 2.906 0 40 DFAB Cn1ccnc1C[C@@H]1CCCN(Cc2cccc3cn[nH]c23)C1 97139267 IZCOVISFUVEPSP-AWEZNQCLSA-N 309.417 2.751 0 40 DFAB CC(C)c1ncc(C(=O)N2CCOC[C@H]2c2cccn2C)s1 97144081 KROYUEWPBJNUOJ-ZDUSSCGKSA-N 319.430 2.819 0 40 DFAB CCc1oc2ccccc2c1CN[C@H]1CCc2nnc(C)n2C1 97199455 FNSNQRYKDYTRHZ-ZDUSSCGKSA-N 310.401 3.000 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)COc1ccc(F)cc1 97372615 BIDNACJCAIQJJS-MNOVXSKESA-N 319.380 2.853 0 40 DFAB COc1cccc(Cl)c1CC(=O)N1CCC[C@@](C)(CO)C1 97379142 KHSKUXJRGORVDN-MRXNPFEDSA-N 311.809 2.512 0 40 DFAB NCc1cc(I)ccc1Br 98096523 YWAVMAANUIIUAR-UHFFFAOYSA-N 311.948 2.512 0 40 DFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 100184682 FWHAWEQYBQLNQH-MUIFIZLQSA-N 309.365 2.953 0 40 DFAB CC(C)CNC(=O)C[C@@H]1CC2(CCNCC2)Oc2ccccc21 101857492 CXOIDOKIGVMDNS-OAHLLOKOSA-N 316.445 2.837 0 40 DFAB Cc1csc(=O)n1CC(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102910860 DASWPRHZFIZMDP-MKBNYLNASA-N 308.447 2.549 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC(F)(F)F)C1 106629367 DQYNUOAKOGEHID-DGCLKSJQSA-N 300.324 2.891 0 40 DFAB CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 106822135 VUDJXIMMKAAFMN-TZMCWYRMSA-N 317.389 2.917 0 40 DFAB COc1ccc([C@H](C)Nc2cnn(C)c2)cc1Cn1cccn1 157323346 UEQRWTIPCLZBPT-ZDUSSCGKSA-N 311.389 2.847 0 40 DFAB CC[C@]1(C)CN(C(=O)N[C@H](C)Cc2ccc(O)cc2)CCO1 190383975 GQNZZLIDTYEIQU-CXAGYDPISA-N 306.406 2.534 0 40 DFAB Cc1ccc(C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)o1 192056063 DZYYAOWZGIAJIK-KDOFPFPSSA-N 301.386 2.948 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2csc3ccccc23)no1 225691691 OQGRAANPPZOEEI-ZDUSSCGKSA-N 302.355 2.661 0 40 DFAB C[C@]12CC[C@@H]3[C@H]([C@@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 256436495 OLPSAOWBSPXZEA-PICZKKKLSA-N 304.430 2.850 0 40 DFAB O=C(c1noc2c1CCCC2)N1CCCC[C@@H]1c1ccn[nH]1 257220099 DJNGBFGJKRLBEL-CYBMUJFWSA-N 300.362 2.644 0 40 DFAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cnccn2)C1 257228894 FVTDXFHJXLYTBG-ZDUSSCGKSA-N 314.389 2.916 0 40 DFAB Cc1cc2nccc(C3CCN(Cc4cccn4C)CC3)n2n1 257255530 KHVMXIJUAUQJTG-UHFFFAOYSA-N 309.417 2.756 0 40 DFAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257274394 NKXUMBTVLCNXJD-ZDUSSCGKSA-N 312.417 2.909 0 40 DFAB CC[C@H](O)CC(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 519703123 JLMIOAQQVPWBSD-AWEZNQCLSA-N 315.417 2.505 0 40 DFAB O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H]1c1ccc(O)nn1 530078420 FMNUKMGRCYYNRT-PWSUYJOCSA-N 311.332 2.671 0 40 DFAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575605592 LJMOOVVWBBSTPK-NSHDSACASA-N 321.764 2.633 0 40 DFAB Cc1cc2cc(CN3CCCN(C(N)=O)CC3)oc2cc1C 92754214 NEUVYPLXWJYLDU-UHFFFAOYSA-N 301.390 2.636 0 40 DFAB CC1CCN(c2nc3nccc(-c4ccncc4)c3c(=O)[nH]2)CC1 22606924 CJTHKXSZAYMQPA-UHFFFAOYSA-N 321.384 2.616 0 40 DFAB CCCCc1c(O)nc(Nc2nc3ccccc3o2)[nH]c1=O 8995570 MIVUAEZSVVVGFY-UHFFFAOYSA-N 300.318 2.703 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc(COC)cc2)[C@@H](C)C1 78897628 INXCKHKPGDADER-YOEHRIQHSA-N 304.434 2.570 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccn(C)n1 2769094 FEMYSZSWYXIMJN-UHFFFAOYSA-N 309.373 2.534 0 40 DFAB CSc1nnc(C)n1NC(=O)c1ccc(Cl)c(Cl)c1 6452407 KCJOHWKZAUNEAO-UHFFFAOYSA-N 317.201 2.999 0 40 DFAB COC(=O)c1cccc(OCC(=O)N[C@@H](C)c2cccs2)c1 24035546 SGCAFLZIFFTCRT-NSHDSACASA-N 319.382 2.791 0 40 DFAB C[C@@H](CN1CCOCC1)N[C@H]1CC2(CCC2)Oc2ccccc21 95420338 BVOSVWKRAFEQBJ-RDJZCZTQSA-N 316.445 2.743 0 40 DFAB CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 8209133 JDQSNKPSUMQSFC-UHFFFAOYSA-N 323.443 2.564 0 40 DFAB O=C(Nc1ccccn1)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102443872 MKUZWQTYXHPVDW-JDPPGYRCSA-N 323.400 2.607 0 40 DFAB CC(C)n1ncc2cc(NC(=O)NCc3cccnc3)cnc21 48064104 SCXMIIAOSMCXEG-UHFFFAOYSA-N 310.361 2.729 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 100395539 BCNNJHDWOXQMDX-SUMCQTLJSA-N 322.408 2.726 0 40 DFAB Cc1ncc(CN(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)s1 56383086 OPMHOTFWQWIWDD-UHFFFAOYSA-N 324.494 2.902 0 40 DFAB COc1ccc(-c2nnc(NC(=O)c3ccccc3O)o2)cc1 9062289 NIDZAYLITAGFME-UHFFFAOYSA-N 311.297 2.703 0 40 DFAB CC(C)(NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(N)=O 57051378 UENJOPXSODGWNJ-UHFFFAOYSA-N 317.216 2.696 0 40 DFAB Cc1ncsc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 48160041 WHCWRROFYFVVBE-AWEZNQCLSA-N 301.415 2.580 0 40 DFAB CCN1CCC[C@@H]1CNCc1cc2c(C)nn(C)c2nc1Cl 48275470 ACIIVDBEESVHTN-CYBMUJFWSA-N 321.856 2.504 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2nc3ccccc3n2C)cc1 59474604 CMWNLYCPZNGYHR-UHFFFAOYSA-N 300.383 2.856 0 40 DFAB O=C(OCCn1cccn1)c1cc2c(nc3sccn32)s1 58283090 WZSNGIPWFVBVIL-UHFFFAOYSA-N 318.383 2.664 0 40 DFAB C[C@H]1CCCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 2126530 NIKNCNXMKBNEKF-AWEZNQCLSA-N 311.429 2.927 0 40 DFAB biogenic CC(C)N1CC[C@@H](CNC(=O)CCOc2cccc(Cl)c2)C1 58431338 FUBUDBJCIBAYSA-AWEZNQCLSA-N 324.852 2.955 0 40 DFAB Cc1noc([C@@H](C)S(=O)(=O)Cc2ccc(F)cc2Cl)n1 36391657 LBKRCKFHPKMHFW-SSDOTTSWSA-N 318.757 2.847 0 40 DFAB NC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 3348315 JLPXXIGHVZICOU-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB C[C@H]1COc2ccccc2[C@H]1OC(=O)c1cnc2c(c1)ncn2C 97100936 LXXNOBVQINROQJ-ZBEGNZNMSA-N 323.352 2.895 0 40 DFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NCCc1ccsc1 48332258 LIQSHZSHZWXZKH-AWEZNQCLSA-N 320.462 2.901 0 40 DFAB Cc1ccnn1-c1ccccc1NC(=O)NCc1ccncc1 97107807 DRHIVOBVDDDMMM-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB CC(C)C[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)O 2434686 CKTWWCCHTMFFLU-ZDUSSCGKSA-N 312.797 2.681 0 40 DFAB COc1ccccc1[C@H](CNCc1c[nH]nc1C)N1CCCC1 97159254 MLMRLICRYNYTME-KRWDZBQOSA-N 314.433 2.653 0 40 DFAB COc1ccc(CCn2c(C(=O)O)cc3ccccc3c2=O)cc1 11692949 KWYYUMDMBRVAQN-UHFFFAOYSA-N 323.348 2.951 0 40 DFAB biogenic COc1ccc(C)cc1NS(=O)(=O)c1cccc([C@@H](C)O)c1 12824510 YQZYKUKCZFDURX-GFCCVEGCSA-N 321.398 2.858 0 40 DFAB COC(=O)c1ccc(COC(=O)c2ccc3c(c2)OCO3)cc1 3620732 MIVDSDDSYVRVMV-UHFFFAOYSA-N 314.293 2.559 0 40 DFAB O=C(Cc1csc(-c2cccs2)n1)N1CCSCC1 48790949 JYMNZLQHZNDAAP-UHFFFAOYSA-N 310.469 2.990 0 40 DFAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1 9010374 ZQSPCOOHJGNOAA-LBPRGKRZSA-N 321.332 2.956 0 40 DFAB COc1cccc(-c2nnc(SCC(=O)O)n2CC(C)C)c1 72328152 BZRSQKRRAOCPAS-UHFFFAOYSA-N 321.402 2.786 0 40 DFAB CN(c1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1 49306681 GNJCSIVYSLGLBH-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB C[C@]1(O)C[C@@H](c2nc(Br)c3c(Cl)nccn32)C1 115299474 BHANQQWNLCKMCA-JCJUMFQOSA-N 316.586 2.774 0 40 DFAB COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1 4241700 UMSPNQKPXWOGLL-UONOGXRCSA-N 321.373 2.730 0 40 DFAB Nc1nc(S[C@@H]2CCOC2=O)nc2sc3c(c12)CCCC3 6108893 KHWQUBHJBAVBNX-SECBINFHSA-N 321.427 2.560 0 40 DFAB O=C(O)[C@H]1CCCN1Cc1cc(Br)ccc1F 6234861 ZOETVCLCQKHFHO-LLVKDONJSA-N 302.143 2.637 0 40 DFAB CCCC[C@H](Nc1ccc2nnnn2n1)c1ccc(OC)cc1 65547914 QCKRQZXDACCOBU-AWEZNQCLSA-N 312.377 2.871 0 40 DFAB S=C(NCc1ccccn1)Nc1ccc(Br)cn1 29346839 DMFZMMWJZJLMMQ-UHFFFAOYSA-N 323.219 2.726 0 40 DFAB in-vivo CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2F)[nH]n1 96004832 LKNBBEDXSYSYHZ-UHFFFAOYSA-N 311.700 2.631 0 40 DFAB COc1ccccc1C(=O)OCc1nc(N)c2ccccc2n1 9379323 ZKKVKYPRSWPPGD-UHFFFAOYSA-N 309.325 2.578 0 40 DFAB CCc1nc([C@H](C)NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cs1 97374467 CSKOPFKRCVAOLO-XQQFMLRXSA-N 309.479 2.861 0 40 DFAB CCOCCS(=O)(=O)Cc1cccc(Br)c1C 90085196 OFBJLOUPZAJISH-UHFFFAOYSA-N 321.236 2.709 0 40 DFAB CC(C)(C)c1ncc(C(=O)NC2(C(=O)O)CCCCC2)s1 67480648 OWQNWYIHKJPANE-UHFFFAOYSA-N 310.419 2.958 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(Cc1c(F)cccc1F)CC2 93614370 SNSYYERGNOVYRK-HOTGVXAUSA-N 311.372 2.717 0 40 DFAB O=C(C[C@@H]1CCOc2ccccc21)N[C@H]1CCCC[C@@H]1CO 84578928 CAAUORITDLKUOR-LZWOXQAQSA-N 303.402 2.610 0 40 DFAB CN(C(=O)c1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 80504484 QJLHTSQBLBFABS-SFHVURJKSA-N 309.413 2.818 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1 7726516 VSCIWZQYSAJJII-UHFFFAOYSA-N 319.310 2.870 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@]3(CCOC3)C2)n1 84631226 JVNCZZULNKUSOZ-OAHLLOKOSA-N 309.797 2.506 0 40 DFAB CCN(c1ccc(-c2csc(NC)n2)cc1)S(C)(=O)=O 8209134 NTSWOFYQEUVJAP-UHFFFAOYSA-N 311.432 2.638 0 40 DFAB Cc1ccc2nc(NC(=O)c3ccc(C(N)=O)cc3)sc2c1 69346982 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O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 97000747 GZRYMJJMMBGZDP-ZDUSSCGKSA-N 312.369 2.952 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@H](C(N)=O)C(C)C)s2)o1 97081260 HENFUQWZRPIVEX-ZDUSSCGKSA-N 306.387 2.556 0 40 DFAB C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1)C(=O)O 97039225 RBHSQCMDEQAFDD-GAJTVXKRSA-N 323.339 2.780 0 40 DFAB C[C@H](CNC(=O)NC1CCC2(CC1)OCCO2)c1ccsc1 73631357 QHSRPUZLUHDDNZ-GFCCVEGCSA-N 324.446 2.837 0 40 DFAB CN(C(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCO2 89365361 IBQPCLPTHMDQAK-UHFFFAOYSA-N 320.348 2.740 0 40 DFAB Cn1cc(CNc2ccc(CCO)cc2)c(-c2ccncc2)n1 86257584 OEIZMXSOLKQCSZ-UHFFFAOYSA-N 308.385 2.629 0 40 DFAB Cc1nsc(N2CCCN(C(=O)C3CCCCCC3)CC2)n1 89721359 ZHXZHFRDQQGEBI-UHFFFAOYSA-N 322.478 2.856 0 40 DFAB Cn1cc(C[C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)cn1 89755434 PNIIQRXZRYXOGB-OAHLLOKOSA-N 309.413 2.543 0 40 DFAB COCCN1CCC(CNC(=O)c2sccc2C(C)C)CC1 89893496 KUYPVVNULLJMSI-UHFFFAOYSA-N 324.490 2.960 0 40 DFAB Cc1ccc2cc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)c(C)nc2c1 76056058 OPFSFMCONFYOGR-ACJLOTCBSA-N 311.429 2.874 0 40 DFAB O=C(O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 110069752 JMGGZTBMFDEGQC-UHFFFAOYSA-N 312.373 2.654 0 40 DFAB COc1ccc(/C=C2\CCC(C3=NCCN3)=C2O)cc1OC 62716143 JGUYPMQZAUWMED-FMIVXFBMSA-N 300.358 2.695 0 40 DFAB CC(=O)NC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1 34145134 ZEBKBKRADQJFRS-UHFFFAOYSA-N 319.796 2.611 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2nnc(SC)s2)cc1 39989044 LKJDPRLHTXDMCM-VMPITWQZSA-N 307.400 2.921 0 40 DFAB CCN(CCCc1nc(-c2ccccc2)no1)c1cnn(C)c1 521396730 GUJHGLNFTFXLFO-UHFFFAOYSA-N 311.389 2.929 0 40 DFAB O=C(NC[C@@]1(O)CCCc2ccccc21)[C@@H]1CC1(Cl)Cl 75213237 QNJXIJXCESWBSO-JSGCOSHPSA-N 314.212 2.521 0 40 DFAB O=C1O[C@H](C(=O)N2CCC[C@H]2c2ccncc2)Cc2ccccc21 42797914 SVQQIMCPNXDMNS-IRXDYDNUSA-N 322.364 2.527 0 40 DFAB Cn1nc([C@@H]2CCCN(CCc3ccccc3)C2)c2nccnc21 72393834 QXRXAKFTKYIIDZ-MRXNPFEDSA-N 321.428 2.785 0 40 DFAB COc1ccccc1NC(=O)NC[C@@](C)(O)c1ccsc1 77512486 JGIKKXLCMPPUFK-OAHLLOKOSA-N 306.387 2.786 0 40 DFAB CSC1(CNc2ncc(Br)cn2)CCOCC1 78412472 IQSBLVCSFCJALR-UHFFFAOYSA-N 318.240 2.563 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(C(N)=O)cc2)C1 78552993 CQYGSRUFGFHXGH-KXBFYZLASA-N 323.440 2.711 0 40 DFAB NS(=O)(=O)Cc1ccc(-c2ccc(OC3CC3)cc2)cc1F 527587914 IDGUITXIIXDRTO-UHFFFAOYSA-N 321.373 2.822 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 139644725 HBXCGBUOSKUGDG-KRWDZBQOSA-N 302.374 2.907 0 40 DFAB Cc1cc(CNc2nnc(C(C)C)o2)cc(N2CCCC2)n1 571273761 XTDDQFMGBJBMSR-UHFFFAOYSA-N 301.394 3.109 0 40 DFAB CC(C)N1CCN(CCCN2CCC[C@H](C(F)(F)F)C2)CC1 192715934 MUJXBVUKLMAMGM-HNNXBMFYSA-N 321.431 2.677 0 40 DFAB CCOCCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225000418 RGGFMJOOAXECOH-AWEZNQCLSA-N 305.418 2.876 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)s1 195543815 FUCIWFRURAHQFY-UBHSHLNASA-N 307.463 2.585 0 40 DFAB COC(=O)Nc1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1 97428846 QOJGLADKMQOVLY-VIFPVBQESA-N 303.145 2.997 0 40 DFAB Cc1ccc(CN2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)s1 96223389 MQCPIEIVMHQYSZ-HOCLYGCPSA-N 318.446 2.644 0 40 DFAB CCO[C@@H]1C[C@@H](OC(=O)CCc2cnn(C)c2)C12CCCC2 96420401 UGRIVIMETKKMFS-HUUCEWRRSA-N 306.406 2.634 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCS[C@@H](C(C)C)C1 96432243 LAYJVQIUWZJEOA-OAHLLOKOSA-N 309.479 2.570 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)N[C@@H]3C[C@H](C)OC3=O)cc2F)c1 96437248 JHKIAAPKNKOIOS-SLEUVZQESA-N 317.364 2.674 0 40 DFAB O=S(=O)(N[C@H](c1cccnc1)C1CC1)c1ccc(F)c(F)c1 330031817 DSMPIVVHXZRFAD-HNNXBMFYSA-N 324.352 2.789 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)no1 96439466 AFVZVOVVRZGZAI-LLVKDONJSA-N 323.780 2.903 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)on1 95425902 FMPBTPLFBLOJPF-ZFWWWQNUSA-N 324.446 2.925 0 40 DFAB CNC(=O)N1CCC2(CC1)CN(C(C)C)Cc1cc(F)ccc12 96261752 WEPQGLHFNDEGJH-UHFFFAOYSA-N 319.424 2.723 0 40 DFAB COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C 96420636 XVCURVSBSTUVEM-LBPRGKRZSA-N 314.223 2.733 0 40 DFAB C[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccsc1 96499807 GEZCEXQNDBMROR-FMKPAKJESA-N 321.490 2.977 0 40 DFAB O[C@@H](CCNc1ncc(Br)cn1)c1ccccc1 78519530 DNKAJUAYGGOOLB-LBPRGKRZSA-N 308.179 2.775 0 40 DFAB Cn1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1=O 28504567 SBSLUZAEXYWSLT-UHFFFAOYSA-N 324.424 2.870 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@H](N2CCCC2)C1 67617714 HCJXBJHDBBUPCK-RCCFBDPRSA-N 313.445 2.812 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1 72298854 UTTMVSGAECVQFH-JTQLQIEISA-N 322.352 2.736 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 57829728 QFVJGAPKZCZVBQ-SWLSCSKDSA-N 306.381 2.604 0 40 DFAB CCC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 38666431 VWGOPVKZAACUOE-UHFFFAOYSA-N 321.471 2.926 0 40 DFAB CCn1ncc(S(=O)(=O)Nc2ccc3c(ccn3C)c2)c1C 12143866 CLNFHWCILFREAU-UHFFFAOYSA-N 318.402 2.504 0 40 DFAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@]2(C)CCCO2)n1 12201154 GMPHJZJVHYJRMR-SJKOYZFVSA-N 315.373 2.791 0 40 DFAB CCc1s/c(=N\c2ccccc2)n(C(C)=O)c1OC(C)=O 5375666 MZEAVOWKBOFOEL-NXVVXOECSA-N 304.371 2.930 0 40 DFAB O=c1c2ccccc2nnn1CSc1ccc(F)c(F)c1 7107530 PXKMRCUFAQJCHC-UHFFFAOYSA-N 305.309 2.820 0 40 DFAB CCc1ncnc(N2CC[C@H](COc3ccc(F)cn3)C2)c1F 1889101134 WOVXQKLNUFGTHM-NSHDSACASA-N 320.343 2.618 0 40 DFAB CCOc1ccc(OCCn2cnc3ccsc3c2=O)cc1 14170961 GHGOAVRFXVXZKF-UHFFFAOYSA-N 316.382 2.936 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc(C)sc2C)CC1 23798787 RWSYQENRPUZMNH-UHFFFAOYSA-N 310.419 2.716 0 40 DFAB Cc1cc(=O)[nH]c2nnc(SCc3ccccc3Cl)n12 4250023 QXYQIVRPSBMIKV-UHFFFAOYSA-N 306.778 2.672 0 40 DFAB CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(C)ccc21 11634941 NKJPOWYHJHLAIV-PFONDFGASA-N 308.428 2.738 0 40 DFAB CCOC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1 2055713302 XJKWCQGPZQJGOM-CQSZACIVSA-N 321.371 2.830 0 40 DFAB c1ccc(CO[C@@H]2CN(CC3CCCCC3)[C@@H]3COC[C@H]23)nc1 2055718118 SYUOFMSTIMDHGU-IPMKNSEASA-N 316.445 2.878 0 40 DFAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc2ccccn12 20718741 VINXIVIPIFPHFI-CYBMUJFWSA-N 310.382 2.775 0 40 DFAB c1ccc2c(c1)ncn2C1CN(Cc2ccc3c(c2)OCCO3)C1 1775973407 APCIMZLNBOXVEP-UHFFFAOYSA-N 321.380 2.864 0 40 DFAB Cn1nc(-c2ccccn2)cc1CNC(=O)Nc1cccs1 1775966570 LYVYNQYTEREMEU-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB COC(=O)c1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 100843089 ISULTSRFCMYTGN-GASCZTMLSA-N 313.353 2.709 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1 5557862 RUDDOAURUOZFIJ-INIZCTEOSA-N 314.429 2.792 0 40 DFAB COc1ccc(C[C@](C)(O)CNC(=O)c2cccc(F)c2)cc1 75155511 YYNVMLPDIZCYOL-SFHVURJKSA-N 317.360 2.558 0 40 DFAB C[C@H](CNC(=O)Nc1nccs1)N1CCc2ccccc21 40096102 RAIDPKAGCIRFOQ-LLVKDONJSA-N 302.403 2.716 0 40 DFAB O=C(NC1CCC(O)CC1)NC1CCC(C(F)(F)F)CC1 40520751 CTDLQSJKTPGZBC-UHFFFAOYSA-N 308.344 2.710 0 40 DFAB Cc1occc1C(=O)NCCNc1ncccc1C(F)(F)F 40555195 DEXUTTZLTIMRCV-UHFFFAOYSA-N 313.279 2.844 0 40 DFAB Cc1nn(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Cl 356077 ZYYDXDLWTGIJKC-UHFFFAOYSA-N 307.825 2.936 0 40 DFAB CCc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 41122774 REIQKGJKCRKGKK-ZDUSSCGKSA-N 321.402 2.548 0 40 DFAB O=C1O[C@H](C(=O)N[C@@H]2CCc3ccccc32)Cc2ccccc21 32843561 TVYGVTDXBHBARU-SJORKVTESA-N 307.349 2.572 0 40 DFAB CC(C)NC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 32912950 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Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)no1 27296083 JVVHBMLOBFQWNV-NSHDSACASA-N 313.357 2.823 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2)cc1C 55941878 RUPMJMRLOSJPLS-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB CC(C)(C)C(=O)NC[C@@H](O)COc1cccc2ccccc12 58265208 XIXNVVCQIDHBPO-CQSZACIVSA-N 301.386 2.742 0 40 DFAB CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 58289652 FNEULCJWVSDIGF-UHFFFAOYSA-N 306.369 2.961 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)C(=O)c1c(C)[nH]c2ccccc12 58210379 DOCBZCWPXOQZTI-CYBMUJFWSA-N 314.385 2.544 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N(C[C@H]1CCOC1)C1CC1 44941429 VEBFDGLHAUPPQC-GOEBONIOSA-N 303.402 2.619 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 44934798 XUKRJBOZPVVCJJ-SNVBAGLBSA-N 322.771 2.627 0 40 DFAB Cc1cccc(CNC(=O)NCCCN2CCCCCC2=O)c1 45113705 AWGLOJSILTUKFE-UHFFFAOYSA-N 317.433 2.587 0 40 DFAB COc1cc(NC(=O)NCc2ccco2)ccc1NC(C)=O 48342605 FCOIOZXCCCAITG-UHFFFAOYSA-N 303.318 2.568 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(C)o1 10993388 VEYDCEHOEHGVSV-CQSZACIVSA-N 319.382 2.545 0 40 DFAB Cc1ccsc1C(=O)NCc1ccnc(N2CCCC2)c1 29553626 CEWFMBBKPKBZGR-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(F)cc1 3507049 LDBSJVDVTFLPHX-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 12977844 JQPYDVKXHKBPAG-CYBMUJFWSA-N 322.368 2.767 0 40 DFAB COc1cccc(C(=O)NCCOc2ccc(C)cc2)c1OC 12986668 OPEFCQAULHDDSP-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB COc1ccc(CCCC(=O)NC[C@@H]2CCCC[C@H]2O)cc1F 84606368 VNKOFYRKAHZRSS-GOEBONIOSA-N 323.408 2.824 0 40 DFAB CC(C)Cc1ccc([C@@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 38361531 BAWJSOFBPMDHIG-CJNGLKHVSA-N 319.449 2.755 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1 13135195 GZIVHVFFAZWGMZ-UHFFFAOYSA-N 315.394 2.953 0 40 DFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cn1 3888897 IFVQWALTALBCFO-UHFFFAOYSA-N 310.062 2.953 0 40 DFAB Cc1nnnn1-c1ccccc1C(=O)NCCC1=CCCCC1 71286227 FKTNZUSMHNGNFC-UHFFFAOYSA-N 311.389 2.591 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2N)C1 5118371 PEJVJCWAZNEGNE-QWRGUYRKSA-N 324.808 2.584 0 40 DFAB CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)CCO1 96005525 WVKIFAGHQIQYHP-XJKSGUPXSA-N 319.401 2.873 0 40 DFAB CC(C)[C@@H](C)NC(=O)N1CCC(c2nnc3ccccn23)CC1 65393100 ZCEJYIVESMGJSN-CYBMUJFWSA-N 315.421 2.663 0 40 DFAB COc1ccc(-c2noc(CSc3nncs3)n2)cc1 14094057 CUQKIFYKKFEEQH-UHFFFAOYSA-N 306.372 2.889 0 40 DFAB Nc1nc(SCc2ccc(F)cc2Br)n[nH]1 14078445 QZPHFQJNZAHDOC-UHFFFAOYSA-N 303.160 2.581 0 40 DFAB Cc1cnc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)cn1 65565064 MVTOZPZBWDBQKT-UHFFFAOYSA-N 311.320 2.577 0 40 DFAB CCC[C@H]1NC(=O)N(Cc2cccc(Br)c2)C1=O 14162820 IBXZMWVSXJEGKZ-LLVKDONJSA-N 311.179 2.670 0 40 DFAB CCc1cc(NC(=O)N2CCOC[C@@H]2C[C@H](C)O)ccc1C 97161816 LZIUOXZWYZSBDF-BBRMVZONSA-N 306.406 2.561 0 40 DFAB O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)o1 97036072 IRMKFFXVYPYROC-WDEREUQCSA-N 321.279 2.676 0 40 DFAB CCOc1ccccc1OCC(=O)NCc1cccc(OC)c1 7802686 RWXJRTGKLSFNPI-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB Cc1ccc(-c2csc3ncn(CCC(=O)O)c(=O)c23)cc1 7978518 ZNIUIFMPYBUPGR-UHFFFAOYSA-N 314.366 2.908 0 40 DFAB CN(Cc1ccccc1F)C(=O)c1cccc(NC(N)=O)c1 8026521 ABQGFRNPJSVJFC-UHFFFAOYSA-N 301.321 2.589 0 40 DFAB Cc1cccc(OCC(=O)NCCn2c(C)nc3ccccc32)c1 8172894 UDFRGGXCLVFIDJ-UHFFFAOYSA-N 323.396 2.848 0 40 DFAB CC(C)(C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 69368846 AIWJUPXKOHKJNA-OAHLLOKOSA-N 324.852 2.876 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC(Oc2ccccc2)CC1 71824916 KTKLZSNNHRQYAH-SFHVURJKSA-N 310.397 2.756 0 40 DFAB CCc1noc([C@H](C)N2CCN(c3cccc(OC)c3)CC2)n1 69442747 PRYQCCCMRCCQKO-ZDUSSCGKSA-N 316.405 2.524 0 40 DFAB CCCCC(=O)NCCCNC(=O)c1cc2ccccc2[nH]1 8404579 ANFXXXWFJQLMGZ-UHFFFAOYSA-N 301.390 2.594 0 40 DFAB O=C(Nc1ccccc1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 69568274 DHHCOSJQFONFOX-MRXNPFEDSA-N 309.369 2.609 0 40 DFAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1cnccn1 69533855 KLFPXVSJXBIPIY-UHFFFAOYSA-N 306.325 2.594 0 40 DFAB COc1cccc(NC(=O)NC2(c3noc(C)n3)CCCC2)c1 69633154 JHPMADJACLWACV-UHFFFAOYSA-N 316.361 2.978 0 40 DFAB C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cnc2cnccn12 92063697 XZSXCODJLVEAOU-DYVFJYSZSA-N 308.385 2.553 0 40 DFAB CN(C)C(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 69874280 DANYVGXUEUPOFK-ZHACJKMWSA-N 304.390 2.694 0 40 DFAB O=C(c1ccnc2ccccc12)N1CCC[C@H](N2CCCC2)C1 69812391 KVIVHLOTMASDKV-HNNXBMFYSA-N 309.413 2.935 0 40 DFAB c1cc(-c2noc(CN3CCC(c4cn[nH]c4)CC3)n2)cs1 97203056 RQVQYXHUQFTMNQ-UHFFFAOYSA-N 315.402 2.901 0 40 DFAB C[C@@H](NC(=O)N1CCC(C2(C)OCCO2)CC1)c1ccco1 95440754 IIABEIVZNRDZIY-GFCCVEGCSA-N 308.378 2.525 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C(F)F)c(F)c1 95457219 NIHFYKJNSZMUKX-UHFFFAOYSA-N 319.308 2.904 0 40 DFAB CCCN1Cc2cccc(NS(=O)(=O)c3cccnc3)c2C1 95995744 CCYQURSCFJWBPK-UHFFFAOYSA-N 317.414 2.608 0 40 DFAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 89818250 AKIIRLZYVMWKHB-BRWVUGGUSA-N 318.461 2.720 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2Oc3ccccc3[C@H]2C)no1 76043813 LSJHSFNPRSKHGN-RIEGTJTDSA-N 313.357 2.606 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2noc(C)n2)c1 76043334 INBVLCGJBAWPFE-IUODEOHRSA-N 315.373 2.817 0 40 DFAB CO[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C 546025150 AWAMFNFETJUHDD-ZDUSSCGKSA-N 322.386 2.677 0 40 DFAB Cc1ccccc1OCC(=O)NCc1ccc(-n2cccn2)cc1 36396838 MRYOZKYKKHMFTM-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB Cc1occc1[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C 189657763 JXOOXSNQUHRDFB-WIUDPPPLSA-N 303.383 2.673 0 40 DFAB O=C(CN1CCCCCC1=O)Nc1ccc2c(c1)CCCC2=O 521394711 QWTDNZUHUONXHA-UHFFFAOYSA-N 314.385 2.547 0 40 DFAB CCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1 78926070 ZSXCQAZRHDPLBY-LSDHHAIUSA-N 304.438 2.658 0 40 DFAB CS[C@H]1CC[C@@H](N(C)CC(=O)NCc2sccc2C)C1 72794440 VZUKCOMKRUIQCN-OLZOCXBDSA-N 312.504 2.889 0 40 DFAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)N1C[C@H]2CCCC[C@H]2C1 79033374 BBMMYQGLGOLFAS-QXSJWSMHSA-N 302.422 2.808 0 40 DFAB COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2N)cc1F 71790512 QDYHKYUYQAKZIN-GXTWGEPZSA-N 324.396 2.886 0 40 DFAB c1nc([C@H](NC2CCN(CC3CC3)CC2)C2CCCCC2)n[nH]1 563585069 WUJQVVTZGYOKQU-QGZVFWFLSA-N 317.481 2.890 0 40 DFAB CC(=O)N(C)Cc1cncc([C@@H]2CCCN2Cc2ccccc2)n1 72366120 WPYAQMYKKYBAGE-IBGZPJMESA-N 324.428 2.792 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1cnn(CC)c1 193556474 IGRHAMQRLXOOSM-CQSZACIVSA-N 319.430 2.879 0 40 DFAB CSc1ccc(NC(=O)NCc2nncn2C2CC2)cc1F 85611300 KBBMVXRMZNCYDJ-UHFFFAOYSA-N 321.381 2.796 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1OC(F)F 225793513 ANFBLRNICVPSLR-MHWZDGSBSA-N 319.307 2.990 0 40 DFAB Cc1cn2c(CN(C)C(=O)c3cncc(F)c3)c(C)nc2s1 89743403 PMAPHAMDHJAUSI-UHFFFAOYSA-N 318.377 2.819 0 40 DFAB CN(C)c1ccc(C(=O)N2CCC(C3CCNCC3)CC2)cc1 40448107 RDGJOTPJJMVZME-UHFFFAOYSA-N 315.461 2.604 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)nn1C 227165771 GPJWBGPSMJYNQT-CYBMUJFWSA-N 309.373 2.792 0 40 DFAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 143159334 PVYAGTUYJKNYFM-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB CC(C)NC(=O)C[C@H]1COC2(CCN(Cc3ccco3)CC2)C1 96048158 RGTQBJWAHBZQGO-OAHLLOKOSA-N 320.433 2.565 0 40 DFAB CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCSC1 97371054 WLWQJCCBKKSLIK-KBPBESRZSA-N 313.488 2.724 0 40 DFAB O=C(CSc1ncccc1Br)Nc1ccncc1 96452840 DEADJDIDAXVWBC-UHFFFAOYSA-N 324.203 2.970 0 40 DFAB Cc1ccc(NCc2cnn(C)c2)c(OC[C@H]2CCCO2)c1 95428591 PBTOJOXUPZPNDC-OAHLLOKOSA-N 301.390 2.898 0 40 DFAB C[S@](=O)C[C@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 96445485 HLNQZNLKDQFFMN-LHSJRXKWSA-N 322.817 2.585 0 40 DFAB COc1ccnc(COC(=O)c2ccc(-n3ccnc3)cc2)c1 96490108 QYUVHGWXMUTZKI-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nn(C)cc21 96060387 IAAMFZQCXHOPBF-OAHLLOKOSA-N 315.417 2.565 0 40 DFAB O=C(c1ccsc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91777185 ONXMNFGMGQASOP-FZMZJTMJSA-N 309.337 2.974 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1cnccn1 257297671 RIJSDNADBSFFPX-GOSISDBHSA-N 307.397 2.872 0 40 DFAB Cc1ccoc1C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 252491324 LMGKZYIFGGBZQL-INIZCTEOSA-N 322.364 2.921 0 40 DFAB CCCNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 252484911 GKJHVLCTAGYNGG-UHFFFAOYSA-N 301.390 2.772 0 40 DFAB Cc1c(CN2Cc3nccn3C[C@H]2c2ccccc2)cnn1C 257206976 BFRWQJWBSMZICE-KRWDZBQOSA-N 307.401 2.682 0 40 DFAB Cc1nc[nH]c1CN1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 257343188 ZRVLWUYMOPORAK-CQSZACIVSA-N 324.432 2.688 0 40 DFAB COC(=O)c1cc(OC)c(OC)cc1NCc1c(C)noc1C 26781689 PMCLIDXEDCEKPR-UHFFFAOYSA-N 320.345 2.707 0 40 DFAB c1ccc(CN2Cc3ccnn3[C@H](CCN3CCCC3)C2)cc1 585112337 NGNYZWNYMLSBCY-LJQANCHMSA-N 310.445 2.926 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 31129154 NQRUJMWCQYGVBI-WFASDCNBSA-N 300.358 2.713 0 40 DFAB Cc1nc(N2CC(COc3cccnc3)C2)cc(C(F)(F)F)n1 1776001473 VITAFLILDZHXAR-UHFFFAOYSA-N 324.306 2.714 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 40526966 GLLZCVZVIAPNGJ-BETUJISGSA-N 319.405 2.781 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccsc2)CC1 58341051 CPMNSNFRHVNODD-UHFFFAOYSA-N 310.419 2.877 0 40 DFAB COC(=O)C1=CN(C(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95626824 KJSAFCCPLVCJJQ-SECBINFHSA-N 309.284 2.863 0 40 DFAB in-vitro CC(C)(C)OC(=O)N1C[C@H]2Cc3ccccc3NC(=O)[C@@H]2C1 1908512022 WFQWQJHGRKYNIJ-CHWSQXEVSA-N 302.374 2.664 0 40 DFAB Cc1ncsc1CN1CC[C@@](O)(COc2cccc(F)c2)C1 1615190449 CWHWCMINEKWFHR-INIZCTEOSA-N 322.405 2.606 0 40 DFAB CN1C(=O)[C@H](C(=O)O)[C@H]2C[C@]1(c1ccccc1)Oc1ccccc12 5319702 DVGVIPQIDVPUIW-ZSZQSSIHSA-N 323.348 2.579 0 40 DFAB CCCc1nnc(S/C(=C\c2ccc(OC)cc2)C(=O)O)[nH]1 7342226 IPCBMEGATDRKBJ-XFXZXTDPSA-N 319.386 2.984 0 40 DFAB O[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1cccc(F)c1 643913595 CJRGPVBIDKKMLJ-HOTGVXAUSA-N 306.406 2.850 0 40 DFAB Cc1n[nH]c(C)c1CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131395551 FAFVTAPVTWDKTQ-KGLIPLIRSA-N 322.453 2.952 0 40 DFAB O=C(/C=C/c1ccsc1)N1CCCN([C@@H]2CCSC2)CC1 1565523656 SUANQAHBJFJXCT-XYBNCVKDSA-N 322.499 2.801 0 40 DFAB Cn1ncc2c(N3CC4(CC(c5ccccc5)C4)C3)ncnc21 1775970486 OGVDXVWMXQXIEA-UHFFFAOYSA-N 305.385 2.747 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 23105452 BYNVFMULRHESSL-CQSZACIVSA-N 304.415 2.789 0 40 DFAB Clc1cnccc1N1CCC[C@H](COc2cnccn2)C1 2298184033 ZLNBCEXXGOJSBY-LBPRGKRZSA-N 304.781 2.820 0 40 DFAB CCc1ccc(OCC(=O)NCCOCc2ccccc2)cc1 36644202 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0 40 DFAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 107333174 OHPOFHLXUXSUAU-YRBFXIGRSA-N 324.428 2.751 0 40 DFAB CCOC(=O)C1CCN(C(=S)c2ccc(OC)cc2)CC1 9188292 WMJSDBAQNWJEJO-UHFFFAOYSA-N 307.415 2.646 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H]1c1ccsc1 57017043 APYLRAOSYFCMMC-GXTWGEPZSA-N 321.446 2.606 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[C@H](C)CCCO 108101805 HSVWRMWVLKQPNF-OZVIIMIRSA-N 308.397 2.909 0 40 DFAB COc1ccc2oc(C(=O)OCC(=O)NC(C)(C)C)c(C)c2c1 3296098 MNRQMQXEMYADPH-UHFFFAOYSA-N 319.357 2.821 0 40 DFAB O=C(COc1ncnc2ccccc12)Nc1cccnc1Cl 3266872 RYMZTIGVMZWGPF-UHFFFAOYSA-N 314.732 2.696 0 40 DFAB CCc1nc(CCNC(=O)N2CCS[C@H](CC)C2)cs1 76086641 DZOLTRXIKSEZLF-GFCCVEGCSA-N 313.492 2.785 0 40 DFAB CC[C@@H](C)c1c(NS(=O)(=O)c2ccc(C)cc2)o[nH]c1=O 102045377 IEABSERHWBLRCB-SNVBAGLBSA-N 310.375 2.591 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@@H](C)O1 58023173 SEFIKBFWTMLNLP-UXLLHSPISA-N 317.433 2.792 0 40 DFAB O=C(O)[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 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CCc1cccc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)c1 14093980 RLSGBPZHXRVOJD-UHFFFAOYSA-N 323.352 2.704 0 40 DFAB COc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 5350028 KGFAURXICLHXSM-OAHLLOKOSA-N 314.341 2.513 0 40 DFAB O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1ccccc1 9317973 NVJVJJNGOSYIOX-ZDUSSCGKSA-N 306.325 2.652 0 40 DFAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 6652642 QRGKVBDONFCNLK-LLVKDONJSA-N 314.776 2.962 0 40 DFAB CCN(C(=O)[C@@H]1CC1(C)C)c1ccccc1S(=O)(=O)CC 95435020 YAIXENNDEDUFJY-LBPRGKRZSA-N 309.431 2.879 0 40 DFAB Cc1ccc2ncc(C(=O)N(C)CCOCc3ccccc3)n2c1 90654375 CKHAJULVNJRYCZ-UHFFFAOYSA-N 323.396 2.932 0 40 DFAB O=c1c(Cl)c(Cl)cnn1CCOc1cccc(F)c1 71894843 JMJJPGLHWNWAPG-UHFFFAOYSA-N 303.120 2.768 0 40 DFAB Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)NC2CCCC2)c1 71858816 WYELNZQMPMSZRG-SZNDQCEHSA-N 307.459 2.999 0 40 DFAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccccn2)c2ccccc2N1 69452473 OHIMWYOLGBISIA-YOEHRIQHSA-N 321.380 2.871 0 40 DFAB CN(C)Cc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1 69558094 KNILYYOFWBJALC-UHFFFAOYSA-N 308.425 2.988 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)c1nccc2ccccc12 71900265 APXFNXHISGDCIN-OAQYLSRUSA-N 304.415 2.512 0 40 DFAB Cc1nc(S[C@H]2CCN(C)C2=O)c2c(C)c(C)sc2n1 69968037 RDKSCRUGNMFSKM-JTQLQIEISA-N 307.444 2.939 0 40 DFAB O=C(NCc1ccccc1F)Nc1ccccc1-n1cncn1 69948147 TYLHRIPTBUUNBY-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB COc1ccc([C@H](NC(=O)[C@@H]2CCO[C@@H]2C)C(F)(F)F)cc1 97055682 ZOSMXPILROVWAG-WQAKAFBOSA-N 317.307 2.840 0 40 DFAB O=C(NCc1ccccc1N1CCCCC1)C1CCOCC1 97047602 CDGYFSOHERPCQI-UHFFFAOYSA-N 302.418 2.720 0 40 DFAB COc1ccccc1CN[C@@H](Cn1cncn1)c1ccccc1 72242441 OFAIHZPELSTFSV-KRWDZBQOSA-N 308.385 2.818 0 40 DFAB C[C@@H](O)CN(Cc1ccccc1)C(=O)CCCc1ccccn1 72295007 JKXIJLZRKZLNIB-MRXNPFEDSA-N 312.413 2.814 0 40 DFAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CC1 73394504 FMLSTNHSKBOGGP-UHFFFAOYSA-N 300.383 2.917 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97143238 HLWBUJJHTQTLJP-RDJZCZTQSA-N 314.385 2.870 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)Cc2ccc(F)cc2)cc1 72331075 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300.358 2.509 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2Cl)c1 72227748 RJJQTIYRTLKHIC-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB O=C1CC[C@@H](NCc2ccncc2Cl)[C@H](c2ccccc2)N1 527723114 XTFYXRDMRIZKND-WBVHZDCISA-N 315.804 2.845 0 40 DFAB CCO[C@@](C)(C(=O)Nc1cnc(OCCOC)c(C)c1)C1CC1 225902583 BTQDGWXCNMHYQM-QGZVFWFLSA-N 322.405 2.559 0 40 DFAB COC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 44450140 DFNRMGRJXQQADN-UHFFFAOYSA-N 305.399 2.639 0 40 DFAB COc1cc(Nc2ccc(N)cc2C(=O)O)cc(OC)c1OC 321648303 QHQQCKNUOOZNQW-UHFFFAOYSA-N 318.329 2.736 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 40113335 HHABUIATFTVOAQ-YSVLISHTSA-N 314.429 2.879 0 40 DFAB CS[C@H]1CCC[C@@H]1N(C)C(=O)NCCCc1cn[nH]c1C 96484015 VQXVDEKZNWAGIO-KBPBESRZSA-N 310.467 2.576 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2cccc(Cl)c2F)n1 97375689 SYARKCFXEYSLFK-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB CCn1cc2c(n1)CN(C(=O)CC1=CCCCC1)C[C@H]2COC 96045211 SIMSDWGOPDVFOL-HNNXBMFYSA-N 317.433 2.866 0 40 DFAB Cc1cccc([C@@H](C)CNC(=O)N(C)C[C@@H](O)C(F)(F)F)c1 96502866 SECRAJJBEAKQPF-WCQYABFASA-N 318.339 2.663 0 40 DFAB CCN1CCN([C@@H]2CCN(C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 249028716 AYVLCJGFSDWJCR-GUDVDZBRSA-N 305.510 2.691 0 40 DFAB Cc1cccc(Nc2cccc(C3CCN(CCO)CC3)n2)n1 257270773 MVPTYEPAJMPSCK-UHFFFAOYSA-N 312.417 2.700 0 40 DFAB O=C(Cc1cccnc1)N1Cc2nccn2C[C@H]1c1ccccc1 257256831 KNBHABYPFDIEIJ-KRWDZBQOSA-N 318.380 2.604 0 40 DFAB Cc1cc(Nc2cc(CC3CCC(N)CC3)nc(C)n2)[nH]n1 257313889 UUNHTFQQEPCOCB-UHFFFAOYSA-N 300.410 2.620 0 40 DFAB CN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CCC2)CC1 257302782 SEKBDRJOOSRCTI-UHFFFAOYSA-N 318.436 2.997 0 40 DFAB O=C(CCc1ccccc1)N1CCC(Nc2cccnn2)CC1 69655451 YFJKFNMGFBFOES-UHFFFAOYSA-N 310.401 2.512 0 40 DFAB CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257253963 KBAPKWZMHUQCHR-AWEZNQCLSA-N 312.417 2.909 0 40 DFAB COc1ccccc1[C@H](CNC(=O)/C=C/c1ccco1)OC 96384420 OPDRDTSPQHVVEQ-SCOAYWHSSA-N 301.342 2.805 0 40 DFAB C[C@@H]1CN(c2cnnc(O)c2Cl)C[C@H](c2ccccc2)O1 67905041 AZYJEZNUVXYFQA-ZWNOBZJWSA-N 305.765 2.802 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)NCC3CC3)cc2)C[C@H](C)O1 50080651 ZENVEDCQTPJQEB-STQMWFEESA-N 303.406 2.832 0 40 DFAB Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H](N(C)C)[C@H](C)C1 78895420 QWOWGJVAJMSLLA-DGCLKSJQSA-N 309.479 2.672 0 40 DFAB O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(-n2ccnc2)cc1 85333870 DTVIGIGNFDKWOK-MOPGFXCFSA-N 305.381 2.620 0 40 DFAB CCOc1ccc(/C=C2/SC(=O)N(CCC(=O)O)C2=O)cc1 2340141 IATVNMNTSFNYFH-FMIVXFBMSA-N 321.354 2.596 0 40 DFAB O=C(CSc1ccc2ccccc2n1)NC[C@@H]1CCCO1 5627456 VMWOKYADCKNGBR-ZDUSSCGKSA-N 302.399 2.622 0 40 DFAB O=C(CCSc1ncnc2[nH]ncc12)c1ccc(F)cc1 5695353 PTRJZPAOZUBUDT-UHFFFAOYSA-N 302.334 2.857 0 40 DFAB CCC(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccncc2)C1 12088605 OQGCQLWCLMQSNL-HNNXBMFYSA-N 310.401 2.963 0 40 DFAB CC(=O)Oc1cs/c(=N\c2cc(C)ccc2C)n1C(C)=O 5375740 VLCBDNVQFVXRRT-NXVVXOECSA-N 304.371 2.984 0 40 DFAB Cc1cccc(N2N=C(C(=O)N3CCCC[C@@H]3C)CCC2=O)c1 544301 PZWGNUKAQSZFPR-AWEZNQCLSA-N 313.401 2.879 0 40 DFAB Cc1ncnc(N2CCN(c3ccccc3Cl)CC2)c1F 1888854593 FIRZPLMRQBAGRU-UHFFFAOYSA-N 306.772 2.904 0 40 DFAB COc1cccc(C(N)=O)c1OCc1nc2ccccc2s1 14737086 YXDICXURHLOPDA-UHFFFAOYSA-N 314.366 2.983 0 40 DFAB O=C(Cc1csc(-c2cccs2)n1)NC[C@@H]1CCCO1 22620702 FCUXEYBSKVMVKP-NSHDSACASA-N 308.428 2.709 0 40 DFAB C[C@@H](C[S@@](C)=O)N(C)CCCOc1ccc(Cl)cc1 545226326 AZLSBASBIPBHSQ-HXPMCKFVSA-N 303.855 2.808 0 40 DFAB NC(=O)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 60049167 OCKAIGSMISULQW-UHFFFAOYSA-N 323.318 2.955 0 40 DFAB CC(C)OCCCNS(=O)(=O)Cc1ccccc1Cl 20549873 KQNWJTPBPVFVFX-UHFFFAOYSA-N 305.827 2.575 0 40 DFAB CCCNC(=O)CCCn1cc(-c2ccc(OC)cc2)cn1 227166030 RQNAFDJSWGOGET-UHFFFAOYSA-N 301.390 2.865 0 40 DFAB CCN1CCC[C@H]1CNC(=O)CSCc1cccc(C)c1 40025504 DBGHORPJPJBCLH-INIZCTEOSA-N 306.475 2.829 0 40 DFAB COc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1 34463 QCFOWIZCMOIXDF-UHFFFAOYSA-N 300.240 2.565 0 40 DFAB O=C1NCCCC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 40489658 ZRRCWMSLWXFOFJ-LBPRGKRZSA-N 302.296 2.708 0 40 DFAB Cc1ccc(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)cc1 31625766 KRYGVQSYEMARNK-AWEZNQCLSA-N 321.384 2.526 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1cccnc1N1CCCC1 40536350 ORFMROJWRGPZLU-UHFFFAOYSA-N 314.389 2.858 0 40 DFAB COCc1cccc(C(=O)NCc2cccc(NC(C)=O)c2)c1 32359392 CGMVAWQCSXMNBF-UHFFFAOYSA-N 312.369 2.721 0 40 DFAB Cc1csc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 41528950 SGJYLVNLDIYGNU-UHFFFAOYSA-N 302.808 2.583 0 40 DFAB Cc1cccc(C(=O)c2ccccc2CN2CCN(C)CC2)c1 22028122 WVUPBNIAFRKWMS-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB COc1ccc(OC)c([C@@H](C)Nc2ncnc3c2cnn3C)c1 22018486 CPALUZHSCJKJKF-SNVBAGLBSA-N 313.361 2.554 0 40 DFAB CC(=O)N1CCN(c2ccc(NCc3ccccc3)cc2)CC1 359764 WRBUDWDUKVSBNY-UHFFFAOYSA-N 309.413 2.967 0 40 DFAB Cn1cc(/C=C/C(=O)c2ccc(SCC(=O)O)cc2F)cn1 78022918 YBJLRNWNHDLDAH-GORDUTHDSA-N 320.345 2.632 0 40 DFAB CN(C)CCN(Cc1ccccc1)C(=O)COC1CCCCC1 78648629 RYKBAZCINVRXIA-UHFFFAOYSA-N 318.461 2.926 0 40 DFAB COc1cc(CNCc2cccc(N(C)C)c2)cc2c1OCO2 78757958 MPWVUBZZIQBSFV-UHFFFAOYSA-N 314.385 2.780 0 40 DFAB Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 1509767 XJFJZRVMAYFTGY-UHFFFAOYSA-N 300.383 2.896 0 40 DFAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC=CCC1 23030637 RJBWTJICJBEGJE-ZDUSSCGKSA-N 306.431 2.569 0 40 DFAB CC(C)Cn1cc(N[C@H](C)c2ccc(-n3cnnn3)cc2)cn1 97038659 IAQUFMVMSZVDIO-CYBMUJFWSA-N 311.393 2.688 0 40 DFAB C[C@H]1CCN(C(=O)CSc2cn[nH]n2)c2ccccc2S1 97014314 VGJSYYKHSINIHL-JTQLQIEISA-N 320.443 2.814 0 40 DFAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cnccn1 54667316 PNXKCXORKCBNSA-UHFFFAOYSA-N 319.368 2.929 0 40 DFAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 7709123 KKYLROXPLXJTQK-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CCCn1nc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1=O 24026884 CKVXLIVSHVZOEJ-QGZVFWFLSA-N 311.385 2.534 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c(C)c1 59227392 DHOGHIVQCHQHKA-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1O 1400666 SSXBBWYIAJQRHG-UHFFFAOYSA-N 304.367 2.666 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)CCc2ccccc2)C1 109022688 ANSJYRCEZVAPNI-HUUCEWRRSA-N 310.463 2.574 0 40 DFAB O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(=O)[nH]c1 55867945 VGDPSKTWRYITTE-GFCCVEGCSA-N 310.275 2.798 0 40 DFAB Cc1csc(N2CCCN(C(=O)Cc3cccs3)CC2)n1 56362263 JVKSKWIZHHLNAZ-UHFFFAOYSA-N 321.471 2.794 0 40 DFAB Cc1cccc2c(CCC(=O)N[C@@H]3CC[C@@H](C(=O)O)C3)c[nH]c12 97039372 KZCOEHYSZFLAJG-TZMCWYRMSA-N 314.385 2.778 0 40 DFAB Cc1ccc2nc(CNC(=O)/C=C/c3csc(C)n3)cn2c1 57267912 SLWGGPYPCSYYBS-GQCTYLIASA-N 312.398 2.737 0 40 DFAB CCOc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 9876542 XHJMVFNLFDNTCH-CYBMUJFWSA-N 307.463 2.714 0 40 DFAB O=C1C[C@H](C(=O)OCc2ccnc(Cl)c2)c2ccccc2N1 72271776 ORAIBXSLHIFTCX-LBPRGKRZSA-N 316.744 2.904 0 40 DFAB CCN(CC)CCCNCC(=O)N[C@]1(C)[C@H]2CC[C@@H](C2)C1(C)C 100467103 RIDNVQLKWFLQJF-TXPKVOOTSA-N 323.525 2.639 0 40 DFAB CCOc1ccc(CN(CC)C(=O)c2cnccn2)cc1OC 58066644 ROWHSNNGWKXGSX-UHFFFAOYSA-N 315.373 2.546 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccn2)c1C 10193741 KDVGDHHCKVBBAE-LLVKDONJSA-N 315.373 2.694 0 40 DFAB CN(C)CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 23102489 YXGSUHYXHQDXGD-UHFFFAOYSA-N 305.369 2.944 0 40 DFAB Cc1nccc(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)n1 72297511 GLRXJZLSFKZEOZ-ZDUSSCGKSA-N 316.430 2.878 0 40 DFAB COCc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 36393463 KHAZEUMMSGYXHT-IYBDPMFKSA-N 318.461 2.931 0 40 DFAB CC(C)C[C@H]1CCCN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 97110776 GWHAGZDPPCNQKD-CVEARBPZSA-N 318.417 2.900 0 40 DFAB CCc1cc(NC(=O)N2CCOC[C@H]2C[C@H](C)O)ccc1C 97161817 LZIUOXZWYZSBDF-XJKSGUPXSA-N 306.406 2.561 0 40 DFAB COc1cc(OC)cc(-c2noc([C@H](N)CCSC)n2)c1 57354853 SOILOAHKCVEYRX-GFCCVEGCSA-N 309.391 2.507 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1 97109993 IKDXQEWXKCLVCF-RYUDHWBXSA-N 300.406 2.747 0 40 DFAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(F)cc1 11657620 QVRPEGRNPYSJIO-ZDUSSCGKSA-N 324.359 2.957 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@H](C)N(C)C)cc12 46273962 UVOYBTSUGQKTRV-NSHDSACASA-N 322.478 2.742 0 40 DFAB O=C(c1ccccc1F)N1CCn2c(-c3ccco3)cnc2C1 306125583 CUVWEZQDEWUEMX-UHFFFAOYSA-N 311.316 2.938 0 40 DFAB CN1CC[C@@](O)(c2cccs2)[C@@H](C(=O)c2cccs2)C1 13152898 IZGIMADVKMVTHI-ABAIWWIYSA-N 307.440 2.832 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N 3885483 RHVIRSWYAADERA-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB O=C(NCCc1nnc(S)n1-c1ccccc1)c1ccccc1 9262866 WVUWMBFNZJNSST-UHFFFAOYSA-N 324.409 2.529 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2cc(F)ccc21 65475455 XMKXQCZVVCYCII-MRXNPFEDSA-N 302.397 2.711 0 40 DFAB C[C@H]1CCCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C1 6384260 GWUQQWRWHHSOOM-ZDUSSCGKSA-N 314.385 2.512 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCCn1ccnc1 65553799 KXZZJZALOMEBQZ-UHFFFAOYSA-N 314.364 2.561 0 40 DFAB COc1ccccc1-c1nn(CN2CCO[C@@H](C)C2)c(=S)o1 14183121 SIMOFBMHNJXQCQ-NSHDSACASA-N 321.402 2.559 0 40 DFAB C[C@H](CNC(=O)[C@@H](C)Sc1nncs1)c1ccccc1 14111444 RBKMVCCVYKJBNO-GHMZBOCLSA-N 307.444 2.939 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cnn(-c2ccccc2)c1 14140635 NWQRMJCGGRZXFQ-UHFFFAOYSA-N 303.325 2.606 0 40 DFAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2OC)c1 5497177 OGTOHAZMRZWCBH-UHFFFAOYSA-N 317.341 2.730 0 40 DFAB CC[C@H](C)N(C)CCNC(=O)c1ccc(Br)cc1 66137768 AKZQNGVYGVOOHT-NSHDSACASA-N 313.239 2.909 0 40 DFAB CN(C)c1cccc(CNC(=O)NCc2cccc(Cl)c2)n1 95437476 FGKVMYYNESCBGL-UHFFFAOYSA-N 318.808 2.800 0 40 DFAB O=C(NC[C@@H]1OCCc2sccc21)N1C[C@H]2CCC[C@H]2C1 95410603 YEFSOWQYBYMXSW-SCRDCRAPSA-N 306.431 2.803 0 40 DFAB O=C(Nc1ccc(OCc2cccnc2)cc1)N1CCOCC1 71799364 ORQZSNCNDGZDNI-UHFFFAOYSA-N 313.357 2.525 0 40 DFAB CCN(C(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1 7390098 XPPLDDNEZPLPMR-UHFFFAOYSA-N 321.380 2.758 0 40 DFAB O=C(NCCOc1ccccc1)c1cc(O)nc2ccccc12 16009569 BZHMBCIPMLVDOY-UHFFFAOYSA-N 308.337 2.749 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(F)cc2)n1 16048917 KVTBTAARTCWBRN-UHFFFAOYSA-N 306.362 2.837 0 40 DFAB O=C(CCn1ccnn1)NCc1ccccc1Oc1ccccc1 68738816 XPBCPZVXUFJRRM-UHFFFAOYSA-N 322.368 2.777 0 40 DFAB CCCCS(=O)(=O)NC1CCN(c2cccc(F)c2)CC1 71915782 ZUYYEDRQKQLABV-UHFFFAOYSA-N 314.426 2.514 0 40 DFAB CCN(CC)CCCNC(=O)C1CCN([C@@H]2C=CCCC2)CC1 71915920 AUYRJVQDBAUUJF-GOSISDBHSA-N 321.509 2.655 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1C1CC1 8232131 GOYQYKOMACLSJH-UHFFFAOYSA-N 313.386 2.773 0 40 DFAB COc1ccccc1C(=O)NC(=S)N(C)C1CCCCC1 8374558 MYDMMQVCULOHKK-UHFFFAOYSA-N 306.431 2.974 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F 84741036 BUXFNNNBTVZOGC-VHSXEESVSA-N 324.343 2.748 0 40 DFAB CCC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 69517425 BHUNYSSFJBDQEM-UHFFFAOYSA-N 319.449 2.540 0 40 DFAB Cc1cc(C)n(C2CN(Cc3noc(-c4ccccc4)n3)C2)n1 69538024 SUJQJQVQHQXOIZ-UHFFFAOYSA-N 309.373 2.607 0 40 DFAB O=C(c1csnn1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434152 JBOVTZAEKFPORQ-DGCLKSJQSA-N 321.402 2.640 0 40 DFAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@@H](C)O1 17325729 HNLHAZLKRPLJNX-VXGBXAGGSA-N 304.415 2.865 0 40 DFAB Cc1nc(C[S@@](=O)Cc2cn3c(C)cccc3n2)cs1 95440957 URGUDYRTLXPMRT-HXUWFJFHSA-N 305.428 2.857 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Oc2ccccc2)cc1 69704524 YNDMFMXTDANCSV-DYVFJYSZSA-N 324.380 2.935 0 40 DFAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OC 8718338 LYSKQCYUXCXKAS-QGZVFWFLSA-N 312.369 2.972 0 40 DFAB O=C(NC[C@@H](O)c1ccco1)C1(c2ccc(F)cc2F)CCC1 95992103 QTJAICRFBFMBEL-CQSZACIVSA-N 321.323 2.829 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)N2Cc3ccccc3C2)c1 75140859 FOCLNLHVQWHITD-NRFANRHFSA-N 300.383 2.972 0 40 DFAB Cc1cc(C)c(CNC(=O)CCc2cc(F)ccc2F)c(=O)[nH]1 75122258 ISCUTLCIUUVTRO-UHFFFAOYSA-N 320.339 2.519 0 40 DFAB c1ccc([C@@H]2C[C@H]2CNCc2cccnc2N2CCOCC2)cc1 89828035 AZYFDMNNWHJGKY-OALUTQOASA-N 323.440 2.812 0 40 DFAB C[C@@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@@H]1CCCO1 89904279 LJJRVYYSMWEEGQ-STQMWFEESA-N 317.476 2.510 0 40 DFAB Cc1nc([C@@H]2CCCN2CC(=O)NCCC2=CCCCC2)no1 75573070 GARKHPQAFVXVGS-HNNXBMFYSA-N 318.421 2.522 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCCO2 76069440 INDNIKICDOPBAZ-LBPRGKRZSA-N 306.406 2.930 0 40 DFAB O=C1CC2(CCC2)S(=O)(=O)c2ccc(Br)cc21 306145407 DRXHWJRTXFAZET-UHFFFAOYSA-N 315.188 2.732 0 40 DFAB CCn1cc(I)c(COCC(C)C)n1 408716382 MJVUOROFDPUTMY-UHFFFAOYSA-N 308.163 2.680 0 40 DFAB Cc1cccc(C2(c3noc(-c4cnc(N(C)C)cn4)n3)CC2)c1 516938433 XXYVMAYNPXWUKZ-UHFFFAOYSA-N 321.384 2.981 0 40 DFAB COC(=O)c1ccc(CCNC(=O)[C@@H](C)c2ccsc2)cc1 78053330 YEKSSOVXIKHMDT-LBPRGKRZSA-N 317.410 2.997 0 40 DFAB CCO[C@@H](C)c1nc(CN2CCN(CC(F)F)CC2)cs1 76723767 SJMNPTPVCCFFPZ-NSHDSACASA-N 319.421 2.623 0 40 DFAB CN(C)C(=O)CCCSc1ncccc1Br 188019845 MIRSXRABJBUBOZ-UHFFFAOYSA-N 303.225 2.805 0 40 DFAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H]2CC=CCC2)C1 78122213 IWWMLTDTPAYQMR-JKSUJKDBSA-N 321.465 2.679 0 40 DFAB O=C(NC(=S)Nc1ccccc1)c1ccc2c(c1)OCO2 32127337 CORZKPBSJGBHLD-UHFFFAOYSA-N 300.339 2.542 0 40 DFAB CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 72376607 VTNNTKODWUAOPJ-MRXNPFEDSA-N 310.401 2.893 0 40 DFAB Cc1cc(C(N)=O)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1 79357940 KZLCBBRGNDDDKP-SNVBAGLBSA-N 307.202 2.678 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 133333743 WLEMPTQULYVBAD-IMBJVDQRSA-N 322.424 2.675 0 40 DFAB Cc1nccn1-c1cccc(C2CCN(c3ncccn3)CC2)n1 72379215 CCIYDMCIFXYKCJ-UHFFFAOYSA-N 320.400 2.750 0 40 DFAB c1ccc(CCCO[C@H]2CCN(c3ncnc4[nH]ncc34)C2)cc1 80232864 WRMKXHLHOJFTAN-HNNXBMFYSA-N 323.400 2.581 0 40 DFAB CCN1CCN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 48366543 ROSREYAIIZAOOZ-CYBMUJFWSA-N 318.396 2.883 0 40 DFAB CC[S@@](=O)Cc1ccc(OC)c(OC)c1Br 89104589 KTOVZJORZMJXOU-INIZCTEOSA-N 307.209 2.735 0 40 DFAB CSC[C@@H](C)NC(=O)c1ncccc1OCC(F)(F)F 84112574 DDTJPOIOUGSDRY-MRVPVSSYSA-N 308.325 2.504 0 40 DFAB Cn1cc(C2CCN(c3cc(Br)ccn3)CC2)cn1 195567307 GAUXSZNWNVNAGO-UHFFFAOYSA-N 321.222 2.962 0 40 DFAB CCOc1cc(OCC)c(CC(=O)OC)cc1Br 82727052 FWSAPSLGHKLLPA-UHFFFAOYSA-N 317.179 2.962 0 40 DFAB O=C(NC1CC1)c1csc(Nc2ccc3c(c2)OCO3)n1 96566291 LYSXTLXXJQUYKT-UHFFFAOYSA-N 303.343 2.508 0 40 DFAB COc1ccccc1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107716 VOJMRUVCHSQUHD-MJGOQNOKSA-N 317.429 2.855 0 40 DFAB CC(C)(C)c1cn2nc(N3CC[C@]4(CCOC4)C3)sc2n1 96462134 LHXSWHMOYWVXOS-HNNXBMFYSA-N 306.435 2.705 0 40 DFAB C[C@@](O)(CNC(=O)Nc1ccc2c(c1)CCCO2)c1ccco1 96434468 KYUVAIRCOLERIC-QGZVFWFLSA-N 316.357 2.634 0 40 DFAB Cc1cccc(C)c1NCC(=O)N[C@H]1CCC[C@H]1n1ccnc1 96426555 NOIIMMRCOSKRKM-JKSUJKDBSA-N 312.417 2.822 0 40 DFAB CCOC1CCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 96440904 XSQAENNYWBDNOG-OAHLLOKOSA-N 320.433 2.973 0 40 DFAB COc1ccccc1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041601 NJTGMCLNNPRBMQ-QXAKKESOSA-N 317.429 2.854 0 40 DFAB CC(C)CCN1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158806 GUVWQYVEIGCEER-UHFFFAOYSA-N 317.477 2.795 0 40 DFAB CCOC(=O)CCc1ccc(NC(=O)[C@H](C)n2ccnc2)cc1 96417091 RCOHQZMRTOYBJK-ZDUSSCGKSA-N 315.373 2.579 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)cc1 248111929 YEOUUQPIIUULEC-HYVNUMGLSA-N 321.442 2.573 0 40 DFAB Cc1ncoc1C(=O)N1Cc2ncc(C)n2C[C@@H]1c1ccccc1 257222903 DVCIJXVOWZJKMG-OAHLLOKOSA-N 322.368 2.885 0 40 DFAB Cc1nc2ccccn2c1CC(=O)N1CCCC[C@@H]1c1ccn[nH]1 257232284 GKEIZOYRGVCQSO-OAHLLOKOSA-N 323.400 2.662 0 40 DFAB CCOCC(=O)N(C1CC1)[C@@H](C)c1ccc2c(c1)OCCCO2 72274691 TZYJASCZBHZXPZ-ZDUSSCGKSA-N 319.401 2.936 0 40 DFAB CC(C)(C)OC(=O)NCc1cnc(O)c(Br)c1 1504308214 RXMNUTFZOISVOF-UHFFFAOYSA-N 303.156 2.574 0 40 DFAB O=C(CSc1nncs1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 49431370 KRJXUBVSHNJIMJ-ZYANWLCNSA-N 309.460 2.667 0 40 DFAB O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1Cc1ccccc1 109689338 FHZLOCTZSWAAOA-OAHLLOKOSA-N 320.352 2.648 0 40 DFAB C[C@@H](Cc1ccccn1)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 12147521 UHXNHTFUZPNDDE-ZDUSSCGKSA-N 321.384 2.570 0 40 DFAB CC(C)c1nnc2sc(NC(=O)c3ccc(F)cc3)nn12 15674528 CTSBIZJBFMSTNN-UHFFFAOYSA-N 305.338 2.701 0 40 DFAB O=C(c1cccc(C(F)F)c1F)N1CC[C@@H](c2nc[nH]n2)C1 529505026 DSTBJAYGRGQBAV-MRVPVSSYSA-N 310.279 2.511 0 40 DFAB COc1cc(N)c(C(=O)N(C)Cc2ccccc2)cc1OC 20027496 IFELIRXCJCYUKR-UHFFFAOYSA-N 300.358 2.558 0 40 DFAB CCCCN(C(=O)/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 4504762 VFDBXTORNFPPPR-SCOAYWHSSA-N 321.442 2.516 0 40 DFAB C[C@@](O)(CNC(=O)Cc1ccccc1Cl)Cc1ccco1 206613942 QLPSVSXOKLXIQB-INIZCTEOSA-N 307.777 2.585 0 40 DFAB CC(C)(C)c1nnc(N2CCC(NC(=O)C3CCC3)CC2)s1 362216521 FOXMFIJHWLAQSS-UHFFFAOYSA-N 322.478 2.721 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1 26881408 BGBUJPJJRWMHQY-GFCCVEGCSA-N 309.387 2.588 0 40 DFAB Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc[n+]([O-])c1 101899633 PHLGFADTDQKFTP-UHFFFAOYSA-N 305.337 2.943 0 40 DFAB O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N[C@H](CO)c1ccccc1 102009580 LNVKIZJEOBRQEE-MKXGPGLRSA-N 322.408 2.605 0 40 DFAB CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccncc1 535182 RNOWPOHSNNVZCU-CYBMUJFWSA-N 315.295 2.581 0 40 DFAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)CCC(=O)N2 46986902 DCSSSHJQNSLWLB-LLVKDONJSA-N 310.357 2.849 0 40 DFAB FC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccc(Cl)cc1 174435 FPKCOKQGNRCZCK-UHFFFAOYSA-N 314.658 2.725 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 212266 HJABIYJRZIWBLB-OAQYLSRUSA-N 323.805 2.637 0 40 DFAB NC(=O)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccc(F)cc1 8939862 VRHKQYOPZUHOMB-INIZCTEOSA-N 313.284 2.538 0 40 DFAB CCCN(CCC)S(=O)(=O)c1c(C)ccc2nsnc12 818591 IZPZTOOFXCPINR-UHFFFAOYSA-N 313.448 2.810 0 40 DFAB COC(=O)N1CC[C@H](NC(=O)CCCc2cc(C)sc2C)C1 79055468 VBXIYDNETHURPG-AWEZNQCLSA-N 324.446 2.645 0 40 DFAB CS(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4036347 BQOIXNCLWRPSIM-UHFFFAOYSA-N 305.384 2.730 0 40 DFAB CC(C)CS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F 4716472 XFUYGQGKGGEAEK-UHFFFAOYSA-N 304.236 2.747 0 40 DFAB O=C(CSc1nc(-c2cccs2)n[nH]1)NCc1ccco1 6847064 VNPKQWBXRRLGGB-UHFFFAOYSA-N 320.399 2.535 0 40 DFAB COc1ccc(CCNC(=S)Nc2ccc(OC)nc2)cc1 7986793 WXDCWXAWUOOCIC-UHFFFAOYSA-N 317.414 2.628 0 40 DFAB Ic1ccc(OC[C@@H]2CCCNC2)cc1 42782840 DAWPAWQKAKCZGR-SNVBAGLBSA-N 317.170 2.670 0 40 DFAB Cn1ccnc1[C@H](NC(=O)COc1ccccc1)c1ccccc1 12532136 YLJPMJMJTMJCBH-GOSISDBHSA-N 321.380 2.705 0 40 DFAB CO[C@H](CNC(=O)Cn1c(C)nc2ccccc21)c1ccccc1 56472803 SBPWMPWIJYPZCO-GOSISDBHSA-N 323.396 2.849 0 40 DFAB C[C@H]1CCO[C@@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 84700115 QPDVGROVGOBJFZ-RDJZCZTQSA-N 308.466 2.526 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)[C@H](C)NC(=O)CC2CCCC2)C1 108074692 IAIJJZZVRSXFAG-NWANDNLSSA-N 311.422 2.572 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N[C@@H](C)CCc2ccccc2)C1 27935865 ANSJYRCEZVAPNI-GJZGRUSLSA-N 310.463 2.574 0 40 DFAB Cc1cc(=O)[nH]cc1C(=O)NCc1cc2cc(F)ccc2s1 95412830 JMZPQBNISIKESK-UHFFFAOYSA-N 316.357 2.967 0 40 DFAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)OCCc1ccccc1 2049260 XWJLDCBHUHPHFX-CYBMUJFWSA-N 314.337 2.723 0 40 DFAB CC[C@H](C(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 44868495 ARVWDBSRYRKAGY-ZDUSSCGKSA-N 318.398 2.991 0 40 DFAB Cc1c(C(=O)Nc2cccnc2N(C)C)[nH]c2c1C(=O)CCC2 58248724 SNRXJRKVRRCXMQ-UHFFFAOYSA-N 312.373 2.555 0 40 DFAB CCc1ccsc1C(=O)NC1CCN(CC(F)F)CC1 58279804 QFUAJVAPWDAJGF-UHFFFAOYSA-N 302.390 2.770 0 40 DFAB CCOc1ccc2c(c1)CN(Cc1cccc(C(N)=O)c1)CC2 58289959 BBODMDMBZGOFOA-UHFFFAOYSA-N 310.397 2.743 0 40 DFAB O=C(Cc1cccs1)Nc1cccn(CC(F)(F)F)c1=O 95410806 OAUAXMZFQPIZMV-UHFFFAOYSA-N 316.304 2.653 0 40 DFAB COc1ccccc1OC[C@@H](C)NC(=O)c1cncc(C)c1 95403465 QKUJJJBRHNRECB-CYBMUJFWSA-N 300.358 2.596 0 40 DFAB O=C(NCCC(=O)N1CCCc2ccc(F)cc21)C1CCCC1 58394310 RIIRAPFONAIKKB-UHFFFAOYSA-N 318.392 2.801 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 58403224 HDLRTNBNKFVTBA-HNNXBMFYSA-N 302.418 2.619 0 40 DFAB CC(C)C(=O)Nc1ccc(NC(=O)CCn2cccn2)cc1 45195525 NQLUOMJSTDRGRO-UHFFFAOYSA-N 300.362 2.506 0 40 DFAB C[C@@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(F)cc1F 95466943 WOGLXJBLCFQEDZ-SECBINFHSA-N 321.331 2.704 0 40 DFAB CCO[C@H]1C[C@@H](OC(=O)CCCC(=O)NC(C)C)C12CCC2 84800816 LDUUSWKBRZISOH-UONOGXRCSA-N 311.422 2.572 0 40 DFAB c1cn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2ccsc2)cn1 107257274 ATHXBAGJSTZQTI-XHSDSOJGSA-N 303.431 2.624 0 40 DFAB FC(F)(F)c1nnc2ccc(N(Cc3ccco3)C3CC3)nn12 13015269 BFEKKGCRNWJUBY-UHFFFAOYSA-N 323.278 2.905 0 40 DFAB CC(C)CC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96001091 NEPWKEXVNILPAA-CQSZACIVSA-N 315.373 2.683 0 40 DFAB Cc1nnc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)o1 65487711 BLBZEVLAEMISLP-LLVKDONJSA-N 322.434 2.706 0 40 DFAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccccc1 14250936 FPJWKHQCLSSBBH-JTQLQIEISA-N 304.371 2.921 0 40 DFAB COc1cccc(NC(=O)CN(C)Cc2ccccc2F)c1 6587788 FULCOECXYAIMPE-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB CCn1nc(C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2c1=O 9364142 ISGKIJDMCLJGKV-SWLSCSKDSA-N 313.401 2.725 0 40 DFAB C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(N)=O 5583685 LWYPNNGXUCPFET-QMMMGPOBSA-N 316.338 2.587 0 40 DFAB NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 6759610 UDTKCDYJIRZZAO-QWRGUYRKSA-N 310.279 2.642 0 40 DFAB COC(=O)[C@]1(F)CCN(Cc2cnc(-c3ccc(C)o3)s2)C1 93888183 LKEBZOCACLLRRT-HNNXBMFYSA-N 324.377 2.799 0 40 DFAB Cc1cccc2cc(CNCCN3CCOCC3)c(Cl)nc12 22930574 XLGIHBJRPYCTLX-UHFFFAOYSA-N 319.836 2.618 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)c1[nH]nc2ccccc12 4824561 KZIFYLLSLGKPRP-LBPRGKRZSA-N 315.373 2.511 0 40 DFAB O=S(=O)(c1ccc(N2CCCCCCC2)nc1)N1CCCC1 15210569 DFJLFQDPRSBHGC-UHFFFAOYSA-N 323.462 2.637 0 40 DFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(C[C@@H]2CCCO2)C1=O 7088440 GESJWHGVRIYUDY-IFXJQAMLSA-N 324.380 2.786 0 40 DFAB COc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1F 7274299 WLPBJFCTOOQYEO-UHFFFAOYSA-N 307.394 2.710 0 40 DFAB CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1 90410813 VSGKLYJEPBSIMP-GXTWGEPZSA-N 301.390 2.887 0 40 DFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(Cl)c1)CS2 7652531 LTTXNQNMRRSBSR-RISCZKNCSA-N 310.806 2.733 0 40 DFAB COc1cccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)c1F 90631134 XQEGDKPWAWJSOP-SNVBAGLBSA-N 314.316 2.822 0 40 DFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cccc(F)c1 16091879 BYLNZKPBCGGSRH-UHFFFAOYSA-N 309.318 2.552 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C12CCC2 96423403 KOPMZFWPHXIMGB-RWMBFGLXSA-N 320.389 2.604 0 40 DFAB Cc1ccnc([C@@H](NC(=O)[C@H]2OCCc3ccccc32)C2CC2)n1 95986969 VJAHMECSSMVFRK-IRXDYDNUSA-N 323.396 2.666 0 40 DFAB CN(CC(F)(F)F)C(=O)c1cnn(-c2cccc(Cl)c2)n1 95990605 SWMCNLCYULZPTM-UHFFFAOYSA-N 318.686 2.555 0 40 DFAB CNC(=O)c1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)cc1 83882303 FCSNCJHMRCPCBZ-FARCUNLSSA-N 315.760 2.747 0 40 DFAB Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc(C)s2)c1 69520727 AAPNSCXRKVLARC-UHFFFAOYSA-N 316.426 2.816 0 40 DFAB Brc1cnn(Cc2noc(-c3ccccc3)n2)c1 69663094 JPOVIHRGLUEQTM-UHFFFAOYSA-N 305.135 2.744 0 40 DFAB COc1ccc2nc(SCc3nsc(N(C)C)n3)[nH]c2c1 89326879 QAGNFKRNFOBOJU-UHFFFAOYSA-N 321.431 2.781 0 40 DFAB Cc1cccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1 97033653 DKXNCXPVAFTQFE-KRWDZBQOSA-N 303.427 2.871 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H]3CCc4nccn4C3)coc2c1 97197580 ZNKJZXLTODFTAZ-CQSZACIVSA-N 309.369 2.611 0 40 DFAB O=C(c1ncccc1O)N(Cc1cccnc1)Cc1ccco1 97141384 OUWKPJDYTGHPCS-UHFFFAOYSA-N 309.325 2.618 0 40 DFAB Cc1cnc([C@H](C)CNC(=O)NCCc2cscn2)s1 97110592 DAIPCWYVPJEEDT-SECBINFHSA-N 310.448 2.553 0 40 DFAB CCN(Cc1csnn1)[C@@H]1CCN(Cc2ccccc2)C1 97139501 XIBZZQFTZWIGCK-MRXNPFEDSA-N 302.447 2.635 0 40 DFAB O=C(Nc1cc(-c2cccc(F)c2F)n[nH]1)[C@H]1C[C@H]2CC[C@H]1O2 110684594 ZIGUXEFYMPWNRL-DFAYQTQMSA-N 319.311 2.861 0 40 DFAB Cc1cn2nc(N[C@H]3CCN(C)[C@@H]3c3ccccc3)sc2n1 89702183 FQMLNVSTJRJGKF-UONOGXRCSA-N 313.430 2.957 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)no1 75602196 ISTYXPLMGZKXFU-LLVKDONJSA-N 308.769 2.656 0 40 DFAB CC(C)n1cc(S(=O)(=O)Nc2nc3ccccc3s2)cn1 72239289 NRWXXTBHPRSVDV-UHFFFAOYSA-N 322.415 2.875 0 40 DFAB CCN1CCN(c2cc(C)c([C@H](O)c3ccccc3)cn2)CC1 72223631 KGENZFUHAURVGZ-LJQANCHMSA-N 311.429 2.614 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Cc1ccccc1C)CC(C)C 31704185 SYRKKDSYTWWOLN-INIZCTEOSA-N 320.433 2.815 0 40 DFAB O=C(COC[C@H]1CCCN2CCCC[C@@H]12)Oc1ccccc1 13425035 DGRPNXSKYKPQDI-WBVHZDCISA-N 303.402 2.873 0 40 DFAB biogenic COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cs1 74932299 FEAYVUUZHYQRSV-UHFFFAOYSA-N 318.807 2.914 0 40 DFAB CCc1ccc2oc(=O)cc(CN3C[C@H](C)O[C@H](C)C3)c2c1 16873026 IGGPMVDPVDEGHY-BETUJISGSA-N 301.386 2.965 0 40 DFAB biogenic CCCc1nnsc1C(=O)NCCc1ccc(C(C)=O)s1 225670855 QOXRRNTYOADQHA-UHFFFAOYSA-N 323.443 2.727 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1 225884021 AQZQDWQOSFAXQT-MRXNPFEDSA-N 310.394 2.641 0 40 DFAB COc1cc(NC(=O)COc2cccc3ccccc23)ncn1 75166444 UYGLPNVRVNYAEJ-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 75157253 YNYYJXUEAOFELL-GFCCVEGCSA-N 307.337 2.549 0 40 DFAB COc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1Cl 48044522 ACIGNSFQKFGQFN-JTQLQIEISA-N 303.811 2.769 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 225611033 PBFYPJDUDDCZRP-QGZVFWFLSA-N 308.422 2.771 0 40 DFAB COc1cccc(OCCNC(=O)c2ccc(OC)c(C)c2)c1 225153152 BNTLFWMJGUSYBF-UHFFFAOYSA-N 315.369 2.821 0 40 DFAB Cc1c(F)cccc1C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530080650 UPKLVTKTYKDGCC-CQSZACIVSA-N 301.321 2.607 0 40 DFAB COc1ccc(NC(=S)NC[C@H]2CCCO2)c2cccnc12 225319762 QYAZBLUIFMUNHI-LLVKDONJSA-N 317.414 2.709 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 225634557 UVMZXUCARQBRNW-HNWLLIRGSA-N 313.397 2.927 0 40 DFAB c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccoc4)[C@@H]3C2)nc1 96250557 BTOLSDAYMMHSTF-GVDBMIGSSA-N 314.385 2.733 0 40 DFAB CCNC(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 96447974 ZQXAGJIIPQHTSP-UHFFFAOYSA-N 307.353 2.812 0 40 DFAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cn(C)nc1C 96415420 ZEPXTOWUYPDRKN-MLGOLLRUSA-N 315.421 2.977 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)c1cnc(C)s1 96431662 WABVSHFLTWINTP-JTQLQIEISA-N 306.387 2.657 0 40 DFAB O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC[C@H](O)C1 96435235 CMASEGHWOQJYNA-LBPRGKRZSA-N 302.296 2.780 0 40 DFAB COc1cccc([C@@H](NC(=O)N2CCOCC2)C(C)(C)C)c1 95407398 IBNYRHVBIZUTBX-OAHLLOKOSA-N 306.406 2.824 0 40 DFAB CN1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccs3)C2)C1 96216727 VQMXOMBHQMPIBW-SJLPKXTDSA-N 320.502 2.928 0 40 DFAB COc1ncc(Cl)c(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n1 583615446 BKOSYCDETVCDNV-AAEUAGOBSA-N 323.755 2.590 0 40 DFAB COCCN(C)C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21 96081911 XGOUBZJQHARVDG-LZLYRXPVSA-N 303.450 2.512 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)c1 96403470 SYVUDJAFIXSGNT-ZIAGYGMSSA-N 316.401 2.805 0 40 DFAB C[C@H](SCc1nc(CS(C)(=O)=O)no1)c1cccs1 96430197 JEBOSXVIIBZDCC-QMMMGPOBSA-N 318.445 2.670 0 40 DFAB C[C@@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@H]1C(=O)O 581368216 TYKARCAYVOYOHO-HBIQZDMRSA-N 318.364 2.563 0 40 DFAB CCNc1nc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cs1 96495433 UPWLMQCHQHYYAC-ZANVPECISA-N 323.393 2.566 0 40 DFAB CC(C)(CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)O 97231277 SXMNOEXYQKZBGQ-BDAKNGLRSA-N 313.756 2.810 0 40 DFAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)CC3CC3)CC2)n1 240002167 PNQFCPNODSNUJI-SHTZXODSSA-N 303.406 2.700 0 40 DFAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ncon2)C1 253471850 GEHRHCDXVSUSLP-JTQLQIEISA-N 311.263 2.718 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cc3ccsc3)C2)n1 257298728 RNAWLYXLXODUAH-AWEZNQCLSA-N 301.415 2.714 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(Cc2ccnn2C(C)C)C1 257343600 ZTQKXMXNFGIRGM-OAHLLOKOSA-N 301.438 2.950 0 40 DFAB Cn1nc(CNC(=O)/C=C/c2cccs2)c2c1CCCC2 96099116 OZWKJCJIMLGWGN-CMDGGOBGSA-N 301.415 2.690 0 40 DFAB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccccn3)CCC2=O)c1 40475388 ZNFKIGNQRBGZMS-UHFFFAOYSA-N 322.368 2.820 0 40 DFAB O=c1[nH]ncc(NCCc2ccc(OC(F)F)cc2)c1Cl 40468569 UTUMIEOBCUVFQP-UHFFFAOYSA-N 315.707 2.679 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(F)c1F 78898576 IYTWIVRGUDROOB-NHYWBVRUSA-N 308.372 2.701 0 40 DFAB CC(C)Cn1ccnc1NC(=O)c1cc(Br)c[nH]1 95392662 KJEFBBSWEFZCIC-UHFFFAOYSA-N 311.183 2.882 0 40 DFAB CO[C@]1(CNC(=O)CSCc2ccccc2)CCSC1 96097593 GQHIQBJEEVQIOY-HNNXBMFYSA-N 311.472 2.558 0 40 DFAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@@](O)(C(F)(F)F)C1 98013042 GHWCBQUJZXQVEO-HNNXBMFYSA-N 313.319 2.705 0 40 DFAB CSc1ncc(Br)c(C(=O)OC(C)(C)C)n1 584904569 CCGIOJXWCQTVSG-UHFFFAOYSA-N 305.197 2.916 0 40 DFAB COc1ccc(CCC(=O)N[C@@H]2CCC23CCOCC3)cc1 585406947 DQHGPZHZIANPHT-MRXNPFEDSA-N 303.402 2.703 0 40 DFAB CO[C@]1(COc2ccccc2C)CCN(C2CCOCC2)C1 1615140646 RWVSTYSILJHMPX-GOSISDBHSA-N 305.418 2.644 0 40 DFAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)C 13708780 ASIJQWDOXCZMHN-CQSZACIVSA-N 300.402 2.675 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(OC)c1 14014934 HAMCLHSMQBJNNU-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB O=c1c2sccc2n2c(S)nnc2n1Cc1cccs1 15828631 RVHXVDAZFZEJSV-UHFFFAOYSA-N 320.424 2.504 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)c1Cl 161556186 ALHSOOJRJQQQRK-LLVKDONJSA-N 309.797 2.768 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(=O)oc2C)c1 10031827 NSXOIURZTFAHEQ-UHFFFAOYSA-N 315.325 2.604 0 40 DFAB CCOC(=O)[C@@H](OP(=O)(OCC)OCC)C(F)(F)F 3118473 XEZTTYBRBJYINN-SSDOTTSWSA-N 308.189 2.678 0 40 DFAB CN1CCN(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)CC1 211126977 DBUMUWQCSURWAQ-MRXNPFEDSA-N 319.424 2.763 0 40 DFAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5384297 XBWVTIVHDUMHGI-AWEZNQCLSA-N 304.346 2.546 0 40 DFAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccncc2F)c1 1889116291 SSBDPXTWFXROSH-PBWFPOADSA-N 314.364 2.734 0 40 DFAB CCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 4280193 DFECEFRKNVYIBB-NSHDSACASA-N 319.188 2.775 0 40 DFAB COc1ccc(C)cc1NC(=O)c1cnc2ccc(C)cn2c1=O 8604666 QQRSNPROHNJABA-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB CCn1/c(=N/C(=O)C2CC2)sc2c(OC)ccc(OC)c21 100908933 XJYPVDPLOFULAI-NXVVXOECSA-N 306.387 2.577 0 40 DFAB O=C(c1cccc(Cl)c1)N1CC(c2nnc3ccccn23)C1 2298233203 VAGUJZSDZCCVJS-UHFFFAOYSA-N 312.760 2.622 0 40 DFAB COc1ccc(Br)cc1CN[C@H](C(=O)O)C(C)C 42325295 OTZKQMSMVWYAHG-LBPRGKRZSA-N 316.195 2.657 0 40 DFAB COc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 31677321 ICCQUWXPPACMBO-UHFFFAOYSA-N 311.337 2.760 0 40 DFAB Cc1ccc([C@@H](O)CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 32025488 YGUKQNZYOUAENX-KSSFIOAISA-N 323.396 2.756 0 40 DFAB COc1ccc(C[C@@H]2CCCN2c2ncnc3c2cnn3C)cc1 52469542 QAZDHSNISYYRHR-AWEZNQCLSA-N 323.400 2.583 0 40 DFAB CCOc1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1 32876307 UYDSJDBGNOBCNF-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccccc1C)C(C)C 32912156 GMFMPEPTOGLUTE-UKRRQHHQSA-N 306.406 2.943 0 40 DFAB CC[C@H](C(=O)NCCC(=O)NC1CCCC1)c1ccccc1 53324211 PZNCMRQOTLLCLH-INIZCTEOSA-N 302.418 2.745 0 40 DFAB COCCOCCCNC(=O)/C=C(\C)CCc1ccccc1 103760619 HWAFKKHFWGSWRG-FOCLMDBBSA-N 305.418 2.735 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1 180272 HYHNWTQOZOUDJW-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(c1ccccc1F)N1CCC(c2nnc3ccccn23)CC1 12390087 HPZLHTKPMVPRCY-UHFFFAOYSA-N 324.359 2.888 0 40 DFAB Brc1ccccc1-n1cc(NCc2ncc[nH]2)cn1 92846114 OPBBXPUQSLJGHY-UHFFFAOYSA-N 318.178 2.970 0 40 DFAB O=C(Nc1ccccc1N1CCCC1)c1ccc2[nH]nnc2c1 22643400 CTPHNYRQFQHJJX-UHFFFAOYSA-N 307.357 2.810 0 40 DFAB C[C@H](NC(=O)N1CC[C@H]([C@@H](C)O)C1)c1ccc(Cl)c(F)c1 97108103 IVLVGEIACZEBJS-UMNHJUIQSA-N 314.788 2.952 0 40 DFAB CC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1Cl 1343458 BQDOOQMLZQXLHD-CYBMUJFWSA-N 309.797 2.861 0 40 DFAB C[C@@](O)(CNC(=O)C1=Cc2ccccc2OC1)c1cccs1 78963829 ZTECLVOMCBRNPB-QGZVFWFLSA-N 315.394 2.548 0 40 DFAB COc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1 3016118 VZTJDWQOVCIHIC-UHFFFAOYSA-N 321.423 2.996 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)no1 4385245 PZYBNQQXDKPVSW-JTQLQIEISA-N 319.748 2.628 0 40 DFAB CC(C)Cc1nc(CS(=O)(=O)c2ccccc2Cl)no1 47621717 BTPQKVHSNUUQNG-UHFFFAOYSA-N 314.794 2.895 0 40 DFAB COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678551 DIZUGBBYDMWLGI-RNCFNFMXSA-N 303.387 2.890 0 40 DFAB O=c1ccn(C2CC2)c(SCc2cccc3c2OCCO3)n1 105573976 UEDISTKBDGRDJL-UHFFFAOYSA-N 316.382 2.642 0 40 DFAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cnn(C)c2)c1C 25118927 WDYXINVDBAXRTE-UHFFFAOYSA-N 300.358 2.905 0 40 DFAB CN(CCCNc1cc(=O)n2ccccc2n1)c1ccccc1 10810063 LPZRKPOUJBWSQH-UHFFFAOYSA-N 308.385 2.633 0 40 DFAB COC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400067 AXODGVODIJPRIV-UHFFFAOYSA-N 312.152 2.990 0 40 DFAB COc1ccc([C@H](CC(=O)N2CCCC[C@@H]2C)NC(C)=O)cc1 25441183 HIGNVFVUKYKRQS-GUYCJALGSA-N 318.417 2.664 0 40 DFAB COC(=O)c1oc(CN2CCN(c3ccccc3)CC2)cc1C 43782959 WXCFRNZGHUBNKC-UHFFFAOYSA-N 314.385 2.697 0 40 DFAB COc1ccc(OC)c2c1[C@@H]1[C@@H]3[C@H]4[C@@H]5[C@@]16C=C[C@@H](O)C[C@]56[C@H]2[C@H]43 104290021 ZDMUPGIYZAKMAW-YQMLFXKLSA-N 308.377 2.697 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)c2ccc3ccccc3c2)C1=O 44261243 ZHOYWIOUTCPNJN-VQIMIIECSA-N 324.380 2.594 0 40 DFAB COCc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)ncn1 108389506 WOAONNVHHAIRTP-UBHSHLNASA-N 304.394 2.665 0 40 DFAB CC1CCN(S(=O)(=O)N(C)[C@H]2CCc3ccccc32)CC1 44327455 DWOYTZRWBBBIAJ-INIZCTEOSA-N 308.447 2.582 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 1887427 NLZCISYIRLXOLQ-INIZCTEOSA-N 309.321 2.609 0 40 DFAB CCCc1cc2c3c(c(=O)oc2cc1OCC(=O)O)CCC3 2097770 HHBFNBMXDVPCGK-UHFFFAOYSA-N 302.326 2.698 0 40 DFAB biogenic C[C@H]1c2c(F)cccc2CCN1C(=O)CCOC1CCOCC1 95409508 FFLOMQBBJNGLBK-ZDUSSCGKSA-N 321.392 2.857 0 40 DFAB Cc1nc2ncnn2c(N[C@@H]2CCO[C@@H](CC(C)C)C2)c1C 95464292 CARNIPUENIXUBG-KGLIPLIRSA-N 303.410 2.747 0 40 DFAB CCCCCC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 58168216 YGIIZPHUTBYKGW-INIZCTEOSA-N 317.433 2.655 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCC(N2CCCCC2)CC1 58200931 LZCZBSVWJDCGEP-UHFFFAOYSA-N 316.401 2.506 0 40 DFAB Cc1cc(C)n(C[C@@H](C)Nc2ncccc2-c2nc(C)no2)n1 95403121 RBYVFSJPFCYDCQ-LLVKDONJSA-N 312.377 2.754 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNC(=O)Cc1cn2ccsc2n1 48236253 TWUFBTITDPQEPS-GXTWGEPZSA-N 321.446 2.650 0 40 DFAB CCCS(=O)(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 48285966 RKMIJFYNTNHBAK-OAHLLOKOSA-N 324.490 2.748 0 40 DFAB Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2C)cc1C 51318252 BWQUQIKQFBTPMG-UHFFFAOYSA-N 310.357 2.716 0 40 DFAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cn[nH]c1 44968630 GLGFRXJKLRDIPD-UHFFFAOYSA-N 314.393 2.507 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O 95437994 UFIWXAOHURQLLB-YDHLFZDLSA-N 306.406 2.559 0 40 DFAB CNS(=O)(=O)c1ccccc1CN[C@H](C)c1ccc(C)s1 95422026 TUSVTLRNLGCROH-GFCCVEGCSA-N 324.471 2.815 0 40 DFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@@H]1CC=CCC1 12790461 YZRLYAFBISNEGT-CQSZACIVSA-N 316.401 2.839 0 40 DFAB Cc1cccc(C(C)(C)CNC(=O)NC2CCC(O)CC2)c1 58316013 JKXMEVIDUPYIDK-UHFFFAOYSA-N 304.434 2.875 0 40 DFAB O=C(COc1ccccc1)NCCc1nc2c(s1)CCCC2 58329270 YAMQEVWSBIZKOS-UHFFFAOYSA-N 316.426 2.760 0 40 DFAB COCC(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F 58431076 JDWHNJFOFAEIFF-UHFFFAOYSA-N 313.279 2.784 0 40 DFAB O=C(CSc1cccc[n+]1[O-])Nc1cnc2ccccc2c1 45250285 PKYDOQSFVOMUMD-UHFFFAOYSA-N 311.366 2.599 0 40 DFAB c1cn(C[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccsc2)cn1 107257270 ATHXBAGJSTZQTI-JYJNAYRXSA-N 303.431 2.624 0 40 DFAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cccnc1 22931751 IRVWNFVZAXCNJC-IBGZPJMESA-N 310.445 2.963 0 40 DFAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc(O)c(Cl)c1 62001330 PXOBMSVOYCQXIQ-NVXWUHKLSA-N 314.772 2.970 0 40 DFAB biogenic O=C(NCc1ccccc1OC1CCCC1)c1cc[n+]([O-])cc1 46782150 RHZPPJMAFMDGLF-UHFFFAOYSA-N 312.369 2.571 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H](C)n2cccn2)cc1 12904204 LDDZGDOOECGMFD-RSPDNQDQSA-N 313.357 2.659 0 40 DFAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)c1nc2ccccc2c(=O)[nH]1 9156500 WDFFJWLSAHYYOL-QMMMGPOBSA-N 317.732 2.823 0 40 DFAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(C(F)(F)F)c1 14095657 XYXQFVMESPCQHJ-VIFPVBQESA-N 317.311 2.660 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(Cc2cccs2)n1C1CC1 5359945 XGXUWEORLAQQNV-NSHDSACASA-N 321.427 2.673 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)c1C 14213348 MWCSTLWRSUUWLU-CQSZACIVSA-N 309.369 2.690 0 40 DFAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCCc1ccccc1 6589782 GUQKOQHCPNIYQM-UHFFFAOYSA-N 322.364 2.610 0 40 DFAB Cc1ccc(NC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)c(O)c1 66042574 BDTJXXYASOYXCT-XJKSGUPXSA-N 307.390 2.859 0 40 DFAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CCc2ccccc21 83540311 LNTOPIGMSWATLK-DDVAMESESA-N 320.458 2.839 0 40 DFAB Nc1nc2c(s1)CN(c1ccnc(-c3ccccc3)n1)CC2 95350238 XKZJBKANOJHIEO-UHFFFAOYSA-N 309.398 2.745 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1O 6706921 YYFAQJWBRTVJDD-UHFFFAOYSA-N 313.762 2.855 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)no1 6841778 WWBAADABWPSXBY-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2n[nH]c3c2c(C)nn3C)c1 95397214 CEQPCZPDZXWRDC-QWHCGFSZSA-N 309.373 2.655 0 40 DFAB C[C@H](Sc1nnc2ccccn12)c1nc2ccccc2c(=O)[nH]1 5902733 NAHFWSCWWNFOMF-JTQLQIEISA-N 323.381 2.819 0 40 DFAB O=C(COc1ccc(F)cc1)NCCSCc1ccco1 7016164 VJOGHQCFAZFQIX-UHFFFAOYSA-N 309.362 2.847 0 40 DFAB Cc1cnn(C[C@H](C)NCc2nccn2Cc2ccccc2)c1 71874908 UOXUAQVFDOXOCO-INIZCTEOSA-N 309.417 2.615 0 40 DFAB Cc1nc(CN2CCN(c3ccc(Cl)cn3)CC2)oc1C 71833224 KNPUCEMSVGMNKQ-UHFFFAOYSA-N 306.797 2.662 0 40 DFAB C[C@@H](OC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1nccs1 80329998 RYQOZXQDKKNFCW-NXEZZACHSA-N 318.354 2.916 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)Nc3nccs3)c(C)n2n1 7667073 NRHWLOKHTLAPEJ-UHFFFAOYSA-N 315.402 2.682 0 40 DFAB c1cncc(CN2CCCN(c3nc4ccccc4[nH]3)CC2)c1 68453741 WWYUGQITDJNWMV-UHFFFAOYSA-N 307.401 2.670 0 40 DFAB COc1ccc(-c2ccnc(-c3ccc(C(N)=O)cc3)n2)cc1 16217452 AOAOCBJKUVATLJ-UHFFFAOYSA-N 305.337 2.918 0 40 DFAB CN(C(=O)NCC[S@@](=O)c1ccccc1)C1CCCCC1 71913605 UCLVITQJORBZBA-NRFANRHFSA-N 308.447 2.768 0 40 DFAB CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nccs1 72004246 GZKWCIHAUDBZCN-JTQLQIEISA-N 311.407 2.505 0 40 DFAB CCN(CCNC(=O)Nc1nccs1)C(=O)OC(C)(C)C 69215783 QOABHOGYBFOTMP-UHFFFAOYSA-N 314.411 2.522 0 40 DFAB CCN(Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 69327775 UCRKWXBQJATAIL-ZDUSSCGKSA-N 309.456 2.910 0 40 DFAB NC(=O)c1ccc(OCc2nnc(-c3ccc(F)cc3)o2)cc1 8391155 NMNHLZWZEVRGSH-UHFFFAOYSA-N 313.288 2.554 0 40 DFAB COc1cc(F)cc2sc(NC(=O)c3cc(C)nn3C)nc12 69530615 GZFQKMFFGRWGNU-UHFFFAOYSA-N 320.349 2.738 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@@H]2C)c1C 69537793 LTARPXCUFRASJX-WHOFXGATSA-N 318.442 2.799 0 40 DFAB Cc1cccc(OCCC(=O)N2CCC[C@H](n3ccnc3)C2)c1 69655892 GGWLTYRSMRIYES-INIZCTEOSA-N 313.401 2.824 0 40 DFAB CC(C)(C)[C@@H](NCc1ccccc1)c1nc(-c2nc[nH]n2)no1 95432576 KYVFMNQFVQCTHF-LBPRGKRZSA-N 312.377 2.732 0 40 DFAB CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C)o2)s1 97081169 GHMDHWUKRKBLJK-NSHDSACASA-N 318.398 2.667 0 40 DFAB O=C(O[C@@H]1CCOC1=O)c1ccc(COc2ccccc2)cc1 8733933 FUBRZQLLDUXFAX-MRXNPFEDSA-N 312.321 2.738 0 40 DFAB COc1cccc(Cl)c1CC(=O)Nc1c(C)c(C)nn1C 97142250 QKOMZWQMRUYMAN-UHFFFAOYSA-N 307.781 2.880 0 40 DFAB Cc1ccc(C)n1-c1sccc1C(=O)NC[C@H](C)[S@](C)=O 95973811 KHONEKQGMBGUGD-LAJNKCICSA-N 324.471 2.652 0 40 DFAB O[C@H](COCc1ccccc1Cl)Cn1cc(Cl)cn1 95974760 HFYCGXNTRTYVQX-LBPRGKRZSA-N 301.173 2.768 0 40 DFAB Cc1cc(C)c(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)[nH]1 89568576 BYKOXNGFXIOSCI-UONOGXRCSA-N 308.447 2.758 0 40 DFAB COC(=O)c1cccc(CNC(=O)NCc2sccc2C)c1 89702048 GCMAZRPJVLKCLQ-UHFFFAOYSA-N 318.398 2.843 0 40 DFAB O=C(CCn1cc(Cl)cn1)Nc1cc(-c2ccccc2)n[nH]1 28243451 UMBFLVXPHYLZNO-UHFFFAOYSA-N 315.764 2.955 0 40 DFAB O=C(NCCc1ccc(O)nc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 529368327 TUAUNHRTORSTTP-CVEARBPZSA-N 314.360 2.779 0 40 DFAB COc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)c1 72227965 PGFWIVGNULGNBR-CABCVRRESA-N 302.761 2.764 0 40 DFAB CNc1ncc(C(=O)CCCNC(=O)OC(C)(C)C)cc1C 72218964 MXQHHUYWBPXJFX-UHFFFAOYSA-N 307.394 2.919 0 40 DFAB CCCCN1CCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216527 WOKQHUKPOCBTBK-QGZVFWFLSA-N 302.466 2.770 0 40 DFAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1nc2cc(Cl)ccc2n1C 183584996 VHEZCLDEIFTQFK-NTZNESFSSA-N 305.809 2.814 0 40 DFAB CC[C@@H](c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)n[nH]1 125212358 BUYWQVJNYFBTSY-ZDUSSCGKSA-N 305.403 2.748 0 40 DFAB COC(=O)c1ccnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1 79311163 BVDVPYBKHSIGJC-OLZOCXBDSA-N 314.316 2.750 0 40 DFAB CCOCC(=O)N[C@H](C)c1ccc(Br)cc1OC 188895872 ODKKRNHMHQWLIB-SECBINFHSA-N 316.195 2.671 0 40 DFAB O=c1n2c(c(-c3ccccc3)n1-c1ccc(F)cc1)CNCC2 72233699 QGVNMAARAONSFU-UHFFFAOYSA-N 309.344 2.548 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCCCc2ccco2)cc1C 225204200 UMRREWMRDNCTIF-UHFFFAOYSA-N 323.414 2.816 0 40 DFAB Cc1cnc(NC(=O)CCn2sc3ccccc3c2=O)s1 40268119 CILVWMJNXNZDAZ-UHFFFAOYSA-N 319.411 2.857 0 40 DFAB N[C@H](CC(=O)N1CCOc2cc(F)c(F)cc21)c1ccccc1 1580117569 AUSSHTMRSMKTTH-CQSZACIVSA-N 318.323 2.780 0 40 DFAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224665344 JLYCIBXUCRVFBE-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB CN(C(=O)Cc1ccc2c(c1)CCCO2)c1ncccc1F 576280742 LDGIIOIRJVEEKH-UHFFFAOYSA-N 300.333 2.751 0 40 DFAB COc1cc(=O)n(C)cc1C(=O)Nc1cc(C)nc2ccccc12 225650839 FMHKEUQMSJBHES-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224514989 PNBZSMBMMKYKAB-HNNXBMFYSA-N 304.434 2.628 0 40 DFAB CCn1c(C)nnc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 97238521 CAQOIQAZYOSYSC-CYBMUJFWSA-N 324.432 2.951 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccccc1C 96518646 PEKKKXWKPMSEJJ-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB C[C@H](Cn1cccn1)NC[C@@H](O)c1cc(Cl)ccc1Cl 49075860 PNTAXYRIXZDCPO-QMTHXVAHSA-N 314.216 2.902 0 40 DFAB C[C@H](Sc1ncccc1Br)C(=O)NC1CC1 96411978 VXGKPFUSTWUYPA-ZETCQYMHSA-N 301.209 2.603 0 40 DFAB Cc1nc(-c2nc(C(=O)N(C)C)c3ccccn23)cn1C(C)C 96266912 MWWKJAKSSYFMMA-UHFFFAOYSA-N 311.389 2.789 0 40 DFAB CCc1ncnc2c1CCN(C(=O)c1sccc1C)CC2 96255044 REXAOUSLWDYRHD-UHFFFAOYSA-N 301.415 2.650 0 40 DFAB CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(C)cc1 96532188 HTYTXKWDTFEKLR-UHFFFAOYSA-N 321.427 2.976 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccncc2)C12CCCC2 96420287 NOJCBYYZXSIMQB-HZPDHXFCSA-N 317.433 2.961 0 40 DFAB CCCCCN1CC(=O)N[C@H]1c1ncccc1C(F)(F)F 97235774 MYLASCZAQQVSDP-CYBMUJFWSA-N 301.312 2.721 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1cccc(C)c1 96521420 RAXPNDJIINDKBW-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB CC[C@@](Br)(C(=O)c1cccc(C)c1)S(C)(=O)=O 96518690 JVRIARLHOKOPAO-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB CC[C@](Br)([C@H](O)c1cccc(C)c1)S(C)(=O)=O 96521566 SPNLZVAQRMJTGN-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257243141 IFPYXDMYBSWKHR-AWEZNQCLSA-N 323.400 2.923 0 40 DFAB C[C@H](Cc1ccoc1)NC(=O)c1cncc(Br)c1 84831815 GLFOBKHTXLXGSK-SECBINFHSA-N 309.163 2.798 0 40 DFAB CN(C(=O)C1(Cc2ccccc2)CCOCC1)C1CCOCC1 257227266 FOJZPFPDSCRQFU-UHFFFAOYSA-N 317.429 2.663 0 40 DFAB CS[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 252500250 SQCYHTPLJDJJRO-GXFFZTMASA-N 300.855 2.810 0 40 DFAB Cc1nc(-c2ccco2)ccc1C(=O)NCCCn1ccnc1C 257173052 BRQTXMSANRQZEV-UHFFFAOYSA-N 324.384 2.975 0 40 DFAB CC(C)n1nccc1CNCc1cn(C)nc1C(F)(F)F 256051606 JVHQYXAPKPIBGA-UHFFFAOYSA-N 301.316 2.506 0 40 DFAB COc1cc(C)cc(C)c1S(=O)(=O)N(C)c1ccc(O)cc1 277625885 OPTRQVCRQKPFCA-UHFFFAOYSA-N 321.398 2.843 0 40 DFAB CCOc1ncc(NC(=O)Nc2ccccc2)c(OCC)n1 96098744 KISWEVITFXPTRU-UHFFFAOYSA-N 302.334 2.918 0 40 DFAB C[C@@H](NCc1nc(Cc2ccccc2)no1)[C@@H](C)n1cccn1 69777817 NGGYONIAXBWXQX-ZIAGYGMSSA-N 311.389 2.596 0 40 DFAB C[C@H](OC(=O)c1cnn2cccnc12)c1cc(F)ccc1F 50659862 CEQZEIPLWFDQEQ-VIFPVBQESA-N 303.268 2.926 0 40 DFAB CCc1nnsc1C(=O)N(C)CCOc1ccccc1C 40468215 LUFVRXIATDRXBC-UHFFFAOYSA-N 305.403 2.560 0 40 DFAB O=C(Nc1cc(Br)ccc1O)c1ccncc1F 79062818 QFMKERFWFHXQIZ-UHFFFAOYSA-N 311.110 2.941 0 40 DFAB c1ccc2c(N3CCN(C[C@@H]4CCCOC4)CC3)nsc2c1 1207465474 WLZJLCOEELAJIM-AWEZNQCLSA-N 317.458 2.845 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3csc(C)n3)C2)cc1 1615191450 MFWDSUNWMKXRTP-QGZVFWFLSA-N 318.442 2.776 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(OC)cc2)C1 13636206 AGXOZVHWBCUJJX-GFCCVEGCSA-N 322.430 2.667 0 40 DFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(N)=O 13994594 UQYJUBGVLATLPI-OAHLLOKOSA-N 312.369 2.890 0 40 DFAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1 16739467 XHMQPFJPUWCIMQ-ZBFHGGJFSA-N 305.418 2.751 0 40 DFAB COc1cc(NC(=O)c2ncnc3c2CCCC3)cc(OC)c1 1888863482 BPMCTZIRNDLIDL-UHFFFAOYSA-N 313.357 2.625 0 40 DFAB COc1ccc(CCNC(=O)CNc2ccccc2F)cc1 21885806 JFNYWTUDBSBYJD-UHFFFAOYSA-N 302.349 2.605 0 40 DFAB O=c1oc2ccccc2cc1S(=O)(=O)c1ccccc1F 4484144 XDDARJALEDGPAU-UHFFFAOYSA-N 304.298 2.765 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc(F)c(F)c3)cnc2s1 4517295 XYMFPCRCOVVGNE-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB CCCCCCN[C@H](CC(=O)Nc1cc(C)ccc1O)C(=O)O 10186471 FDGSHCPICFASGP-CQSZACIVSA-N 322.405 2.652 0 40 DFAB CC1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 40089904 IJHPDMRNWBMLGA-HWOWSKLDSA-N 321.465 2.609 0 40 DFAB CCc1nn2c(=O)cc(CNc3cc(F)ccc3C)nc2s1 30288717 NWZOUNKPSFPIEU-UHFFFAOYSA-N 318.377 2.773 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 85374 SDORZFPBQMBYKI-UHFFFAOYSA-N 320.370 2.510 0 40 DFAB CN1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 20218666 HMYRJGJOJRWMPT-UHFFFAOYSA-N 306.797 2.528 0 40 DFAB COc1cc(C)c(N[C@@H](C)C(=O)Nc2cc(C)no2)cc1OC 40487704 DXRDTPNZUDYHLP-NSHDSACASA-N 319.361 2.748 0 40 DFAB O=C(NCc1cccnc1-n1ccnc1)c1ccccc1Cl 32777588 NHFVAQCNHGHLHK-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB COC(=O)C(C(=O)OC)[C@@H](Nc1ccccc1)c1ccccc1 69917 HCCNVGFTNVAUFO-INIZCTEOSA-N 313.353 2.802 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 101154 RLXXDPJLHJFDGP-HNNXBMFYSA-N 324.380 2.682 0 40 DFAB Cc1nc2ccc(C(=O)NC[C@@H](O)c3ccccc3)cc2nc1C 53600600 HGVWBCJXYFSJQY-GOSISDBHSA-N 321.380 2.710 0 40 DFAB Cc1nc(-c2ccc(NC(=O)c3nccnc3N)cc2)oc1C 77473419 FIMMKISUZSDEDM-UHFFFAOYSA-N 309.329 2.583 0 40 DFAB CC(C)CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1F 1343156 VQWWRXUCCFBDGG-CQSZACIVSA-N 307.369 2.594 0 40 DFAB O=C1N[C@H](c2cnc(-c3ccccc3)nc2)Nc2ccccc21 54423776 UVALBMZEVQVIEX-QGZVFWFLSA-N 302.337 2.998 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)c1 23674041 KEBCTIYHGCPSKY-MRXNPFEDSA-N 324.428 2.539 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 23674252 BRIKBFADDPUZLJ-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1 105123105 QIGDCEFPCMAXOY-WOSRLPQWSA-N 302.418 2.746 0 40 DFAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]12 4903144 RBSLAGQYLSMPCD-GMOODISLSA-N 319.744 2.740 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 6363680 ZYFMULYSYGWLGY-MSOLQXFVSA-N 315.369 2.950 0 40 DFAB O=C(CCCc1cccs1)NCCCOC[C@H]1CCOC1 97596548 ATHMHIKPWDMYGG-CQSZACIVSA-N 311.447 2.630 0 40 DFAB NC(=O)c1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1 8327222 ZGZTWLQDCACFQQ-UHFFFAOYSA-N 310.382 2.863 0 40 DFAB Cc1cc(=O)c(C(=O)N2CCSC[C@@H]2c2ccccc2)c[nH]1 73730753 OYRBOKMHUWDVSC-OAHLLOKOSA-N 314.410 2.614 0 40 DFAB CN(CCOc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccccc1 24874908 YDBAHVZRWWTLRR-MRXNPFEDSA-N 318.804 2.877 0 40 DFAB CCCOCC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 106828474 BHCFESSEKDNCEN-UHFFFAOYSA-N 318.461 2.750 0 40 DFAB O=C(CCc1ccccc1O)Nc1ccc(N2CCCC2)cn1 25662486 BIIUGSDWXHVMTO-UHFFFAOYSA-N 311.385 2.959 0 40 DFAB CN(C)c1c(F)cc(NC(=O)COCC(F)(F)F)cc1F 95364921 GLGLCPVSSAJKKE-UHFFFAOYSA-N 312.238 2.548 0 40 DFAB Cc1nc(C)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)s1 43974648 LPOJNJDSFGKQMS-UHFFFAOYSA-N 300.387 2.908 0 40 DFAB O[C@H](CN1CCc2c(ncn2C2CC2)C1)c1ccc(F)c(F)c1 95373358 IFDPHNODJYWORQ-QGZVFWFLSA-N 319.355 2.588 0 40 DFAB Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1C1CCCCC1 57051182 HMCGQUVFQCOAOA-UHFFFAOYSA-N 305.422 2.604 0 40 DFAB CN(c1cccc(F)c1)S(=O)(=O)Cc1noc2ccccc12 95940449 KJIQLQKZDHCDAI-UHFFFAOYSA-N 320.345 2.933 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1nc2ccccc2[nH]1 28306466 OAGUFETWXSLUJQ-UHFFFAOYSA-N 317.370 2.681 0 40 DFAB C[C@@H](CC(=O)NCc1ccccc1N1CCOCC1)C1CC1 58289784 UZGNHJPKTAHNHL-AWEZNQCLSA-N 302.418 2.576 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 44907779 QMNFINHACFTOPM-IIAWOOMASA-N 318.417 2.827 0 40 DFAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 44940071 ZFVJKGMNPQQXMW-JSGCOSHPSA-N 305.374 2.594 0 40 DFAB Cc1nc(-c2ccccc2)sc1CSc1nnnn1C 58306605 AVRGTKGTDONTNN-UHFFFAOYSA-N 303.416 2.934 0 40 DFAB CCN(CC)C(=S)S[C@H](NC=O)C(Cl)(Cl)Cl 2274705 JJZSINVTAAQEGC-LURJTMIESA-N 323.698 2.789 0 40 DFAB CCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)s1 28248448 QTLYKEOJIMXIRG-UHFFFAOYSA-N 323.443 2.780 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@H]2CCCC[C@H]2CO)CC1 97228456 VDCVLHXHQHGTHK-HOCLYGCPSA-N 310.482 2.554 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)c1 11355135 UFBNHVLCOIVVMW-CQSZACIVSA-N 309.369 2.690 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1cccnc1 24708810 POFGJHWFQCICRG-OAHLLOKOSA-N 324.352 2.886 0 40 DFAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(C)oc2C)cc1 3415404 MMQQQZRJNZOETP-UHFFFAOYSA-N 316.357 2.616 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCC1(c2ccccc2)CCC1 12979213 XVAFMPPGRZOEMV-UHFFFAOYSA-N 320.414 2.692 0 40 DFAB CC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1 12974947 BDMNEKUKULKTQV-UHFFFAOYSA-N 316.382 2.709 0 40 DFAB Cn1cccc1CNc1nnc([C@@H]2COc3ccccc3O2)o1 97375443 YFGJOBGCBAUACL-AWEZNQCLSA-N 312.329 2.533 0 40 DFAB CC(C)c1nnc2n1N=C(c1cccs1)[C@@H](CC(=O)O)S2 13182092 XEGNZWVSQZKTQA-SECBINFHSA-N 322.415 2.664 0 40 DFAB CCCCCC(=O)O[C@@H](CN1CCCCC1)CN1CCCC1=O 3902389 RJTTYKVWRQNGDH-INIZCTEOSA-N 324.465 2.587 0 40 DFAB O=C(NCCn1cccn1)c1cnc(-c2ccccc2F)s1 65402611 VKWWTLUCECDVQR-UHFFFAOYSA-N 316.361 2.576 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1cc(F)ccc1Br 65590945 KOFHATJBLCYUEY-LLVKDONJSA-N 318.142 2.776 0 40 DFAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)cn1 14125137 IOQOKXQQZCWVSI-UHFFFAOYSA-N 319.748 2.954 0 40 DFAB CC1CCC(N(C)C(=O)c2cccnc2N2CCOCC2)CC1 65611898 BMFFOXQADZNHEX-UHFFFAOYSA-N 317.433 2.569 0 40 DFAB CCC[C@H](C)C(=O)N1CCC(n2cccc2C(=O)OC)CC1 65611926 MSLWOSNRYUMDMF-ZDUSSCGKSA-N 306.406 2.874 0 40 DFAB Cc1ccc(/C=C\C(=O)O)cc1S(=O)(=O)N1CCCCCC1 4567565 YUKRUYFECKPSNI-HJWRWDBZSA-N 323.414 2.658 0 40 DFAB CCCCC(=O)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000846 DMZXYIHFGXPHTK-CQSZACIVSA-N 315.373 2.827 0 40 DFAB Cc1noc(-c2ccccc2C(=O)OCC[C@H]2CCCO2)n1 96002747 WWRGYJROXGNWPC-GFCCVEGCSA-N 302.330 2.771 0 40 DFAB C[C@@H]1CCc2sc(-c3nnc(SCC(N)=O)o3)cc2C1 7130987 YPBKCVOMNAQCGP-SSDOTTSWSA-N 309.416 2.500 0 40 DFAB Cc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 7389809 XVTJDXDMPADCCK-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB Cc1ccc(CC(=O)N2CCC(c3nncn3C(C)C)CC2)o1 95435965 CUVBDGBHFUENPY-UHFFFAOYSA-N 316.405 2.709 0 40 DFAB C[C@H](O)CC(C)(C)CNC(=O)NCc1cc(F)cc(F)c1 95404472 HPTRSQPJIDZQKO-JTQLQIEISA-N 300.349 2.561 0 40 DFAB O=C1NCC[C@@H]1Nc1ccc(Br)c2ccccc12 90996435 KUSJBPXUZAEABE-ZDUSSCGKSA-N 305.175 2.903 0 40 DFAB COc1ccc(Cl)cc1N[C@@H]1CCN(CC(F)(F)F)C1=O 96459055 WMZLSGHWDQCMOZ-SECBINFHSA-N 322.714 2.924 0 40 DFAB Cc1c([C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)oc2ccccc12 69789246 LHNHHBBXMLZPGX-FZMZJTMJSA-N 317.389 2.611 0 40 DFAB Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc2nccnc2c1 95434531 ZXCHULZTVWMPDI-SNVBAGLBSA-N 310.357 2.768 0 40 DFAB O=C(CCc1ccco1)N[C@H]1CCN(c2ccc(F)cc2F)C1 71883045 AKZKKSIVRXLJDP-ZDUSSCGKSA-N 320.339 2.886 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H](c2ccccc2)O1 71827190 MOPCLLWDJQIWLY-PXAZEXFGSA-N 311.385 2.889 0 40 DFAB COc1ccc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)[nH]c2c1 69740611 XIASNHYTNAXSFF-CQSZACIVSA-N 324.384 2.850 0 40 DFAB COC(=O)c1sccc1NC(=O)Cc1cccc(OC)c1 18029975 AIWMKBQHMQGEJP-UHFFFAOYSA-N 305.355 2.725 0 40 DFAB Cc1cccc(-c2noc(CN3CCC[C@H]3Cn3cccn3)n2)c1 69893142 QJRRWMRJTVBTKD-INIZCTEOSA-N 323.400 2.906 0 40 DFAB C[C@H](NCc1c(Cl)nc2ccccn12)[C@H](C)n1cccn1 69927901 FOFKWLCMWRZGLA-RYUDHWBXSA-N 303.797 2.924 0 40 DFAB Cc1ccc(C2=CCN(CC(=O)NCC(F)(F)F)CC2)cc1 8745232 OBSWYJPMULKDCF-UHFFFAOYSA-N 312.335 2.763 0 40 DFAB CCS(=O)(=O)c1cccc(NC(=O)N[C@H]2C=CCCC2)c1 97014368 XWVLCTVPJNIGJF-LBPRGKRZSA-N 308.403 2.710 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)n1C1CC1 72234761 CQEMHVASGBRFBN-HNNXBMFYSA-N 313.405 2.509 0 40 DFAB Cc1ncccc1C(=O)Nc1ccc2c(c1)N(C)CCN(C)C2 95986351 RXGXPZFFPYIBGX-UHFFFAOYSA-N 310.401 2.524 0 40 DFAB Cc1nc2cc(NS(=O)(=O)Cc3ccccc3)ccc2n1C 74985735 GOYUDRAEVNXXEH-UHFFFAOYSA-N 315.398 2.824 0 40 DFAB COc1ccc([C@H](NC(=O)c2ccc(C)[nH]c2=O)C2CC2)cc1 75118628 JVUGCTGEQDINLY-MRXNPFEDSA-N 312.369 2.573 0 40 DFAB Cc1cccc(-c2cncc(C(=O)N3CCCN(C)CC3)c2)c1 89678011 GXJLUKJSQGPIAY-UHFFFAOYSA-N 309.413 2.835 0 40 DFAB C[C@H](CCO)NC(=O)NCCCO[C@@H]1CCCc2ccccc21 89895590 NXHYJCRKKTYMQI-RHSMWYFYSA-N 320.433 2.541 0 40 DFAB C[C@@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)n1cccc1 89904963 XYVRROWAUTZGNH-CABCVRRESA-N 323.400 2.849 0 40 DFAB CC[C@](O)(CNCc1cc[nH]n1)c1ccc(Br)cc1 89943459 ODJQHIFHXVAAOK-AWEZNQCLSA-N 324.222 2.560 0 40 DFAB CC[C@@H](C)n1nccc1NS(=O)(=O)c1sccc1OC 89942768 MHJBZXZAAAJAAU-SECBINFHSA-N 315.420 2.725 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)SCc2nc(C3CC3)no2)on1 75584400 IQBYORCGDWTDAM-MRVPVSSYSA-N 308.363 2.504 0 40 DFAB C[C@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCCO1 75572823 YXJVXVQZVWEKIT-WFASDCNBSA-N 312.373 2.833 0 40 DFAB C[S@](=O)CCNC(=O)Nc1ccccc1-c1ccccc1 33619237 HJHGIUCSMAGXCA-OAQYLSRUSA-N 302.399 2.854 0 40 DFAB O=C(NCc1csc(O)n1)[C@@H]1CCSc2ccccc21 550926105 ZYPBJMPQXQTTTR-LLVKDONJSA-N 306.412 2.745 0 40 DFAB Cc1cccn2c(=O)cc(OC(=O)c3ccccc3Cl)nc12 72427453 WCWUFFALRNRLKX-UHFFFAOYSA-N 314.728 2.876 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2ncc(Cl)cn2)CC1 72202987 QNEZAMLIZDUEBS-UHFFFAOYSA-N 313.785 2.908 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)/C=C/c1ccccc1Cl)C2 70971306 NSZOYKULKVPBSA-BQYQJAHWSA-N 321.804 2.965 0 40 DFAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCC2CCCCC2)C1 76384226 PHURIVONEJSWNZ-LSDHHAIUSA-N 315.479 2.819 0 40 DFAB O=C(C[C@H]1CCCO1)NC[C@H](O)c1c(Cl)cccc1Cl 77648051 DIVBGJLUIYICQU-SKDRFNHKSA-N 318.200 2.712 0 40 DFAB O=C(O)C[C@@H](CC(=O)Nc1nccs1)c1ccc(F)cc1 226750478 CSAKSZUHPFYXCJ-SNVBAGLBSA-N 308.334 2.869 0 40 DFAB COc1ccc([C@@H]2CCCN2c2nc(C(=O)O)co2)c(OC)c1 569248038 FOFHLXROWSUIEZ-ZDUSSCGKSA-N 318.329 2.732 0 40 DFAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1C 225895175 FOHBIKOKCLQCRV-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB CC[C@H](C)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386253 XOFQVUJPEVKDTA-SWLSCSKDSA-N 314.385 2.601 0 40 DFAB COc1cccc(CS(=O)(=O)Cc2nc(C)c(C)s2)c1 86995112 QJLSRLYLAYAEOY-UHFFFAOYSA-N 311.428 2.884 0 40 DFAB CSc1nnc(NS(=O)(=O)Cc2ccccc2C)s1 224482891 CBIYAEMABWNLJO-UHFFFAOYSA-N 315.445 2.510 0 40 DFAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC 223769292 ARJQJNJRDGMVTF-GFCCVEGCSA-N 310.825 2.993 0 40 DFAB COc1ccc(F)cc1CN1CCN(Cc2cccnc2)CC1 193137641 LDMBLWVZUQIVCO-UHFFFAOYSA-N 315.392 2.547 0 40 DFAB CC(C)(C)SCCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 225786008 YWXBUGZNOOTUML-UKRRQHHQSA-N 310.507 2.993 0 40 DFAB CN1C[C@@H](NCc2ccc(Oc3ccccc3)o2)CCC1=O 96500127 HJBFSRWKJSPWHW-ZDUSSCGKSA-N 300.358 2.782 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)NCc1cccc(Cl)c1 339547640 DHLQVQMWQKHXFX-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB O=C(NC[C@H]1CCC[C@H]1O)C1(c2ccc(F)cc2F)CCC1 96495098 KRIKVZFXMUQZGY-IAQYHMDHSA-N 309.356 2.664 0 40 DFAB c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2nccs2)c1 96055350 RPCKWFHDAKLNJF-SQWLQELKSA-N 303.431 2.624 0 40 DFAB Cc1nn(C)c(C)c1CN[C@@H](C)C[C@H](O)c1ccc(F)cc1 96486364 NFSAHMCCAAULCG-GTNSWQLSSA-N 305.397 2.778 0 40 DFAB CC(C)CC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccs2)C1 96227701 YBYIQVMQAPNOBC-WMLDXEAASA-N 320.458 2.649 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccncc1 95087428 HRPZIXOCCWBVCS-HNNXBMFYSA-N 305.422 2.961 0 40 DFAB O=c1ccc(Br)cn1C[C@H]1Cc2ccccc2O1 90876470 OAHZXIOLTWDPAL-GFCCVEGCSA-N 306.159 2.615 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc4ncccc34)C2)n1 257219290 DGHYSSZDDKQABT-CQSZACIVSA-N 320.396 2.906 0 40 DFAB CNc1ncccc1CN1CCC(c2ccnc3ccnn23)CC1 257326885 WYZXCHMWUQVCOP-UHFFFAOYSA-N 322.416 2.546 0 40 DFAB Cc1nccc([C@@H]2CN(Cc3cn(C)c4ccccc34)CCO2)n1 257232088 GJJFQALMGQPHMV-IBGZPJMESA-N 322.412 2.850 0 40 DFAB O=C(NCc1ccnnc1)c1ccnc(Cc2ccccc2F)c1 257316888 VHKZLOLTNSZNBI-UHFFFAOYSA-N 322.343 2.532 0 40 DFAB Cn1cncc1-c1cccc([C@@H]2CCCN2Cc2cnccn2)n1 257307473 SYTOKTRVBRSSIT-KRWDZBQOSA-N 320.400 2.609 0 40 DFAB CCOC(=O)c1csc(C2CN(C(=O)OC(C)(C)C)C2)n1 382714616 JGIAZWZHFJYYCY-UHFFFAOYSA-N 312.391 2.654 0 40 DFAB CCc1nc(C)c(CN2CC[C@H](Cc3ccccc3)[C@@H](O)C2)[nH]1 585279776 ORWCTEIUZNFNOX-AEFFLSMTSA-N 313.445 2.706 0 40 DFAB Nc1nccnc1C[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 585182589 RMMFWMUBOPWPKN-CQSZACIVSA-N 321.428 2.995 0 40 DFAB CCn1ccnc1CN1CCN([C@@H](C)c2cccc(F)c2)CC1 69437934 IKXOHOBWJHVBOR-HNNXBMFYSA-N 316.424 2.921 0 40 DFAB Cc1ccc2c(c1)CN(C(=O)C1CCCC1)[C@H](CN(C)C)CO2 72395240 WPIJQWRBSPKBLO-QGZVFWFLSA-N 316.445 2.836 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1c1ccsc1 51852863 LABIJVIOBSJPGN-CYBMUJFWSA-N 304.419 2.864 0 40 DFAB COc1ccc(C2(CNC(=O)c3ccno3)CCCC2)cc1 38593493 HRFPXFOZAOGJJH-UHFFFAOYSA-N 300.358 2.925 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccccc1 97123836 QZRPXKTTYFTSPM-HNNXBMFYSA-N 312.394 2.840 0 40 DFAB Cc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)nn1 663336849 BRWCKTZYYKTQKI-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@H]3C)c(=O)c2c1 19219813 PVKHVPQESLXAED-ZBFHGGJFSA-N 312.413 2.770 0 40 DFAB COCCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736644 UMVSACGZAWTOQK-UHFFFAOYSA-N 304.321 2.685 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)N[C@H](CO)C(C)C)n(C)n1 153617745 IXVORMYFMWBRAC-OAHLLOKOSA-N 316.405 2.534 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 4192313 ODPNZLMTXRXZDB-VBQJREDUSA-N 305.418 2.892 0 40 DFAB aggregator COCc1cccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 25335434 UCLRNCQSCXNSDZ-UHFFFAOYSA-N 324.380 2.994 0 40 DFAB FC(F)(F)c1ccnc(N2CC[C@@H](COc3ccccn3)C2)n1 1888906557 PVEKADOJIOOFBK-LLVKDONJSA-N 324.306 2.796 0 40 DFAB COCCn1cnc2c(Nc3cc(C)ccc3OC)ncnc21 1888913879 HBUMLPMFNBAIKR-UHFFFAOYSA-N 313.361 2.533 0 40 DFAB CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)C(C)C)CC2)cc1 22880991 LRRNUZZLNYICDV-CQSZACIVSA-N 317.433 2.765 0 40 DFAB Cc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1C 4032961 PLWDCKUQNHQKCF-UHFFFAOYSA-N 300.402 2.850 0 40 DFAB O=C(CSc1nc(O)c2ccccc2n1)Nc1nccs1 18217883 ZZDCMADYAPZNKI-UHFFFAOYSA-N 318.383 2.523 0 40 DFAB CCc1nccn1CC1CN(c2ccnc(C(F)(F)F)c2)C1 2086881830 IGLJKVPFALHQAN-UHFFFAOYSA-N 310.323 2.996 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(C3CC3)on2)C1 2298174055 AUIGZACMOJVYMV-CYBMUJFWSA-N 305.422 2.679 0 40 DFAB CC(C)(C)c1ccc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)nn1 2298174713 IRAIRKJLNHAXMR-KBPBESRZSA-N 300.450 2.695 0 40 DFAB Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1 40106895 HJZUQGXJEQBJJV-UHFFFAOYSA-N 311.263 2.978 0 40 DFAB CCOCc1c(C(=O)O[C@@H]2C[C@H](C)OC2=O)oc2ccccc12 32736524 KXFYWLFFYSRCPI-IINYFYTJSA-N 318.325 2.830 0 40 DFAB CN(CC(=O)NC1CC1)C(=O)c1ccc(-c2ccccc2)cc1 32819193 RANAOEGPDYEDTP-UHFFFAOYSA-N 308.381 2.704 0 40 DFAB Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)no1 41597650 VTZMXSTZVJZSJO-CQSZACIVSA-N 307.781 2.669 0 40 DFAB COc1cc(C(=O)O)ccc1OCC(=O)Nc1ccc(F)cc1 479879 QUMXLXDQFRJONC-UHFFFAOYSA-N 319.288 2.550 0 40 DFAB CCCN(CC1CC1)C(=O)c1ccc2c(c1)NC(=O)CS2 8935909 NNXXFKWBXLBCTE-UHFFFAOYSA-N 304.415 2.993 0 40 DFAB C[C@H](N[C@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCCC1 78890436 CUQAPMLDWDSANG-ZFWWWQNUSA-N 318.465 2.616 0 40 DFAB O=C(CCc1ccco1)Nc1cc(C(F)(F)F)c[nH]c1=O 47553244 SVYRZBYAOIZLQK-UHFFFAOYSA-N 300.236 2.558 0 40 DFAB Cc1nccn1-c1cncc(NC[C@H]2CCOc3ccccc32)n1 92896777 OYCWYXUFYQCEBT-CQSZACIVSA-N 321.384 2.949 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1ccc(CN2C(=O)CCC2=O)cc1 23054635 WHMRLJHETVDXHK-CYBMUJFWSA-N 312.369 2.630 0 40 DFAB CNC(=O)c1ccccc1NC(=O)CSc1cccs1 23193038 YJXYVIFFYMPUCI-UHFFFAOYSA-N 306.412 2.839 0 40 DFAB CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 3060543 VIFZPAQDRROLAH-ZDUSSCGKSA-N 312.369 2.901 0 40 DFAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(N)=O)c3ccccc3n2)o1 3455334 LAJXCJXSMWUSAE-NSHDSACASA-N 324.336 2.834 0 40 DFAB CCCN(CC(F)F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 97596271 IMKTVBAVHBPHTO-LLVKDONJSA-N 320.380 2.747 0 40 DFAB Cc1cccn2c(=O)nc(SCc3ccc(F)cc3)nc12 4504116 KBCPLYPAMHANMX-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3ccc(C)c(F)c3)cnc2s1 4517316 MQJSAGGCKLXESV-UHFFFAOYSA-N 317.345 2.764 0 40 DFAB O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)N4CCCC4)[C@@H]32)Oc2ccccc21 100124279 YUBLAKCRLAIHHY-CNDLSXRNSA-N 311.381 2.669 0 40 DFAB COc1ccc(CNC(=O)Cc2cccc(F)c2)cc1OC 8112073 WMZYOMWRJPKAFW-UHFFFAOYSA-N 303.333 2.702 0 40 DFAB COc1cccc(C(=O)c2cccc(OC(C)=O)c2)c1OC 43209891 BFMSQOWOAUPEBG-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)N1CCc2ccccc21 43229245 CVEPTNBGIXPPDX-UHFFFAOYSA-N 310.353 2.730 0 40 DFAB Cc1nc2c(Nc3ccc(N4CCCC4)cc3)nc(N)nc2n1C 57279172 MXMRFUMIFKVKPL-UHFFFAOYSA-N 323.404 2.598 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1 25157713 JESYOVHVFOMDTA-GFCCVEGCSA-N 308.341 2.878 0 40 DFAB O=S(=O)(NCc1nc2ccccc2s1)c1cccs1 25657178 HFJDDKUHFLBRMQ-UHFFFAOYSA-N 310.425 2.836 0 40 DFAB C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1 43931684 BHQQIRBYBUWPGG-WDEREUQCSA-N 310.369 2.916 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=S)NCCc1ccccc1 44137702 JAUGENAGKNXGBQ-HNNXBMFYSA-N 314.458 2.504 0 40 DFAB COc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F 27350969 AWMKJGRMDJDTOC-AWEZNQCLSA-N 304.321 2.689 0 40 DFAB CCN(CC)c1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1 58265408 JDYJKJNWWBXAKL-UHFFFAOYSA-N 316.405 2.805 0 40 DFAB COc1ccc(C(=O)[C@H](C)Sc2nccn2C)cc1OC 58215845 FOSSPPCINVCEDL-JTQLQIEISA-N 306.387 2.801 0 40 DFAB Cc1csc(CNC(=O)N2CCC[C@@H]2c2ccncc2)n1 44967420 HSLMCUGJHGBELR-CYBMUJFWSA-N 302.403 2.893 0 40 DFAB COc1ccccc1CN(Cc1nnc(C)o1)C[C@@H]1CCCO1 44936910 FFSXCDYSCIJBPE-HNNXBMFYSA-N 317.389 2.568 0 40 DFAB CCOCCNC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC 44967930 PLMPEFLVGPAYDA-HNNXBMFYSA-N 322.405 2.587 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccnc2c(F)cccc12 72401629 XWFZSSPCHCQDSF-NWDGAFQWSA-N 302.305 2.669 0 40 DFAB O=C(/C=C/c1ccsc1)NCc1ccnc(-n2cccn2)c1 58356272 CASGGFNREQJHND-NSCUHMNNSA-N 310.382 2.658 0 40 DFAB Cc1nnc2n1N1C(=CS[C@H]1c1ccc3c(c1)OCO3)S2 20724276 UOXLDEMTWVKXPS-LBPRGKRZSA-N 318.383 2.603 0 40 DFAB C[C@H](O)CCN(C)C(=O)Nc1ccc(Br)cc1 72309787 GLVDPHIKOBMMJX-VIFPVBQESA-N 301.184 2.684 0 40 DFAB O=C(c1ccccc1)N1CC(c2nc(-c3ccccc3)no2)C1 49481272 SRTOODDVHJJAMK-UHFFFAOYSA-N 305.337 2.976 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)O 13555768 QSTFVSDDUUAPLJ-XPTSAGLGSA-N 306.337 2.547 0 40 DFAB O=C(NC1CC1)c1ccc(CNc2nc(C3CC3)ns2)cc1 97012361 UDGOYEVONOBNQL-UHFFFAOYSA-N 314.414 2.920 0 40 DFAB O=C(c1cnn2cccnc12)N1CCCCC[C@H]1c1ccncc1 49764827 JCNFNFFBBQNREG-INIZCTEOSA-N 321.384 2.882 0 40 DFAB C[C@@H](C[S@](C)=O)NC(=O)Nc1cnc(-c2ccccc2)s1 96010611 GSLLQRGQZSDJQI-CHNSCGDPSA-N 323.443 2.699 0 40 DFAB COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 6179516 NYDMPSKJUHWJAL-VIFPVBQESA-N 305.277 2.681 0 40 DFAB CC(C)C1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 409068291 LFUNMZNLEYDIIM-CYBMUJFWSA-N 318.270 2.935 0 40 DFAB Nc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)c1 4476904 GVQCIQWMACTKCL-MRXNPFEDSA-N 317.414 2.580 0 40 DFAB COc1cccc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1 6486752 ZHZYIOMLWFJMNF-CYBMUJFWSA-N 313.353 2.904 0 40 DFAB Cc1ccc(C)c(COC(=O)Cn2cnc3ccccc3c2=O)c1 6546887 JBSXQARHCZTIRU-UHFFFAOYSA-N 322.364 2.757 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCCSc1ccccc1 9315725 AWFATMSBLSCXBC-UHFFFAOYSA-N 317.439 2.847 0 40 DFAB CN1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O 4739679 SLKSYJXRTPEONP-MRVPVSSYSA-N 301.165 2.512 0 40 DFAB Cc1ccc(/C=C/CC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 97079985 CRMBNEZCKVGAIT-WOMSROEHSA-N 312.413 2.525 0 40 DFAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc2ccccc2s1 66657480 RLAXJBKDVDGFJK-LLVKDONJSA-N 320.439 2.505 0 40 DFAB COc1cc(OC)cc(C2=NC3(CCCCCC3)NC2=O)c1 4891317 VQMCRGWRBZNAIL-UHFFFAOYSA-N 302.374 2.673 0 40 DFAB COc1cc([C@H](C)NCC(=O)N2CCC(C)CC2)ccc1F 97033501 UOTYQDWSXAGXTN-ZDUSSCGKSA-N 308.397 2.743 0 40 DFAB COCc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 71882814 UASZXAVZZOMOKS-QGZVFWFLSA-N 310.397 2.842 0 40 DFAB Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(C)s1 8342972 IAYHGYRRKLQHFA-LBPRGKRZSA-N 303.383 2.935 0 40 DFAB C[C@H](C(=O)N(C)Cc1cccc(O)c1)n1cnc2ccccc21 83888332 OSQQFORRLLNPSQ-CYBMUJFWSA-N 309.369 2.962 0 40 DFAB Cc1cnn(CCC(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)c1 71902915 AYHVRBNQTSLXQS-DLBZAZTESA-N 313.401 2.698 0 40 DFAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CC(F)(F)F 69413766 HVBPIGVOMBQETP-UHFFFAOYSA-N 323.698 2.794 0 40 DFAB Cc1cccc(-c2noc(CN3CCC[C@@H]3Cn3cccn3)n2)c1 69893138 QJRRWMRJTVBTKD-MRXNPFEDSA-N 323.400 2.906 0 40 DFAB COc1ccccc1CN[C@H]1CCCN(c2ccc(C)nn2)C1 69979443 BRAPBZGLKUBCIB-INIZCTEOSA-N 312.417 2.552 0 40 DFAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCCc2ccccc21 95469711 BKGQXEPLNMGXIY-OAHLLOKOSA-N 309.413 2.844 0 40 DFAB O=C(CCCCCNc1ncccn1)Nc1n[nH]c2ccccc12 95478967 QASBGWZPLRPBSL-UHFFFAOYSA-N 324.388 2.964 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](C)c2c(C)noc2C)c(C)n1 95434470 PNPHMKABEHIPEC-SECBINFHSA-N 318.377 2.929 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2sc(C)nc2C)C2CC2)n1 95450843 TZZIRYYTCREASW-GFCCVEGCSA-N 302.403 2.739 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43CO)[C@@H]1CC[C@H]2O 118913992 KPTQFNUKAKVGSS-MJVYMRHDSA-N 306.446 2.643 0 40 DFAB CC[C@H](COc1ccccc1)NC(=O)[C@@H]1CC12CCOCC2 98018445 VSGJSNIALIBECM-ZBFHGGJFSA-N 303.402 2.777 0 40 DFAB C[C@@H](O)CCN(C)C(=O)Nc1cc(F)cc(Br)c1 85615850 OGYNRSKKEQLXTP-MRVPVSSYSA-N 319.174 2.823 0 40 DFAB Cc1cccn2cc(CNC(=O)c3cc(-c4ccco4)on3)nc12 75136690 HYURQXRBIGVNSN-UHFFFAOYSA-N 322.324 2.821 0 40 DFAB Cc1noc(CCCNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1 89721109 BVPUKMSYIJLFPA-LRDDRELGSA-N 314.389 2.713 0 40 DFAB O=C([C@@H]1CCCOC1)N1CCn2cccc2[C@@H]1c1ccccc1 89828145 AIGXVNZXPMRWCW-AEFFLSMTSA-N 310.397 2.846 0 40 DFAB O=C1CN(C(=O)c2cccc(-c3ccoc3)c2)[C@@H]2CCCC[C@H]2N1 89852018 VHJPZDGMDPQZBQ-IAGOWNOFSA-N 324.380 2.830 0 40 DFAB CCOC[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 89986697 NMJFMDQMZRLKIA-BXUZGUMPSA-N 311.472 2.964 0 40 DFAB CCc1ccc([C@H]2CC(=O)Nc3nn4c(C)cc(C)nc4c32)o1 65457103 YKMUQXBUMZNVDZ-GFCCVEGCSA-N 310.357 2.976 0 40 DFAB Cc1nc([C@H]2CCCN2C)nc2c1CCC(=O)N2CCC(C)C 72371096 VARXXDABGITYGM-OAHLLOKOSA-N 316.449 2.877 0 40 DFAB CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@H]1c1cccs1 78023862 SRQGETAVXDBHNE-CJNGLKHVSA-N 314.410 2.584 0 40 DFAB O=C1CCc2cc(C(=O)NCCc3ccccc3F)ccc2N1 32836810 AIOFVOIRPJOVPG-UHFFFAOYSA-N 312.344 2.683 0 40 DFAB O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cccnc1 32818324 QJJKTQTVZLYRKU-VXGBXAGGSA-N 302.296 2.702 0 40 DFAB COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C 34294336 UGNNHGCEWJCUAY-GFCCVEGCSA-N 313.781 2.949 0 40 DFAB COC(=O)[C@H](C)[C@H](NCc1c(C)noc1C)c1ccccc1 79922820 YOSKVEKFFYOLOU-BZNIZROVSA-N 302.374 2.931 0 40 DFAB c1ccc2c(CN3CCN(c4ccncn4)CC3)cccc2c1 1203981764 HJPUHJJLXOKHDX-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB CCS(=O)(=O)c1ccccc1NCCN1CC=C(C)CC1 225523025 FAULVTQOAIUPNO-UHFFFAOYSA-N 308.447 2.544 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)N(C)C[C@H]2CCCCO2)ccn1 195551772 KHYLCBXFTZXDEN-DZGCQCFKSA-N 306.406 2.900 0 40 DFAB CC(C)c1cccc(N(C)CCN2C(=O)NC(C)(C)C2=O)c1 138638927 ISGXJTIOHJFEDD-UHFFFAOYSA-N 303.406 2.577 0 40 DFAB CC[C@H]1C[C@@H](NC(=O)N2CCOc3ccc(C)cc3C2)CCO1 570506302 XMYMQOHUQBRIIB-HOTGVXAUSA-N 318.417 2.857 0 40 DFAB O=C(/C=C/c1ccccc1Br)NC1=NCCS1 9504105 ULBSFJHRCBZALJ-AATRIKPKSA-N 311.204 2.681 0 40 DFAB O=C(NCCc1ccc(Br)o1)c1cccc(O)c1 195556801 VHIIZYJGRPTNJH-UHFFFAOYSA-N 310.147 2.720 0 40 DFAB c1csc(CN2CCn3cc(CN4CCCCC4)nc3C2)c1 96059401 DKRZTMZKZUEHQY-UHFFFAOYSA-N 316.474 2.946 0 40 DFAB CC(C)[C@@H](N)c1n[nH]c(-c2cc(Br)ccc2O)n1 95534757 KZKLBHFUHKYPBV-SNVBAGLBSA-N 311.183 2.596 0 40 DFAB CC(C)(C)c1csc(CN[C@@](C)(C(N)=O)c2ccccc2)n1 96461779 MNHVEPFSBBQINS-QGZVFWFLSA-N 317.458 2.931 0 40 DFAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC2CCC2)C3)cc1 96269394 LJDACZSVEOBMMX-INIZCTEOSA-N 313.401 2.600 0 40 DFAB biogenic,in-vitro CCCCCCN1C[C@@H]2Oc3ccccc3C(=O)N(C)[C@@H]2C1 514288704 AKDNEMOSWFDGCO-WBVHZDCISA-N 302.418 2.784 0 40 DFAB biogenic,in-vitro CC(C)=CC(=O)NC[C@H](NC(=O)C=C(C)C)c1ccc(C)o1 95443611 UCRALNOUKAGIIA-AWEZNQCLSA-N 304.390 2.794 0 40 DFAB CC[C@@H]1CN(CC2(O)CCC(C)CC2)CCN1CC(F)F 96487502 NUHUZOUMOUVADA-NPCAHTBFSA-N 304.425 2.589 0 40 DFAB CO[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)C1 96107183 HMFQCAPOGHPAGO-ZBFHGGJFSA-N 309.793 2.750 0 40 DFAB C[C@H]1C[C@@H](NC(=O)N(C)C2Cc3ccccc3C2)c2nccn21 334105123 XXZWAWRQMJTLBH-BLLLJJGKSA-N 310.401 2.698 0 40 DFAB CC(=O)N1CCc2cc(C(=O)Oc3cncc(Cl)c3)ccc21 96416260 XDUCAQLVGCJWNV-UHFFFAOYSA-N 316.744 2.863 0 40 DFAB CC(=O)N1CCCC2(CCN(C(=O)C3CCCCC3)CC2)C1 96156900 HZLPGCIFMCPLMG-UHFFFAOYSA-N 306.450 2.818 0 40 DFAB O=C(/C=C/c1ccco1)N1CCN(c2ccncc2Cl)CC1 95437766 MUIZHARYERAJTF-ONEGZZNKSA-N 317.776 2.690 0 40 DFAB O=C(CC1CCCC1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 240122342 VWMJVULCPSXJHL-SHTZXODSSA-N 303.406 2.863 0 40 DFAB Cc1nc(C)c(CNC(=O)c2cc3ccccc3oc2=O)s1 86071731 WWIVILMRLJMZNL-UHFFFAOYSA-N 314.366 2.796 0 40 DFAB C=CC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 585291372 BPFCDXMZPBTGKZ-AWEZNQCLSA-N 323.400 3.163 0 40 DFAB O=C(c1c(F)cccc1F)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 888107052 SNOJUCSESPWIDX-QWRGUYRKSA-N 318.327 2.565 0 40 DFAB Cc1ccc(NC[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 37882340 ZCPQSAGHXUXKMU-INIZCTEOSA-N 305.399 2.544 0 40 DFAB c1cnc(OC[C@H]2CCCN(c3nnc(C4CC4)s3)C2)nc1 1776000843 MOWWTARJABNIPV-NSHDSACASA-N 317.418 2.501 0 40 DFAB Cc1cnc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cn1 58655944 AXGUQYBKBOIKEH-SFHVURJKSA-N 318.380 2.832 0 40 DFAB O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccncc1 55649559 JIENARKPMYRCOQ-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB Cc1cnc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 55944249 OAZXPPPXAJSJCU-JKSUJKDBSA-N 315.348 2.574 0 40 DFAB COc1ccc2c(c1)c([C@H](O)CN1CCSCC1)c(C)n2C 5140631 MAHCMKZUBOFMEF-MRXNPFEDSA-N 320.458 2.578 0 40 DFAB Cc1ccc(OS(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 5541794 GRWPWKCCBKTVHZ-LLVKDONJSA-N 323.336 2.893 0 40 DFAB O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccccc1 12292054 KEBAXYDEAUIXLY-GOSISDBHSA-N 315.388 2.843 0 40 DFAB Cn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21 12514409 FAHNVDZQSOZISP-VLGSPTGOSA-N 316.357 2.885 0 40 DFAB CN(C)Cc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 19657465 QGAFOGSJNKCVEY-UHFFFAOYSA-N 317.477 2.743 0 40 DFAB CCCC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181329 CHACYFKHMPEPQH-UHFFFAOYSA-N 307.394 2.884 0 40 DFAB Cc1ncnc(N2CC[C@@H](COc3ccc(F)cn3)C2)c1C 1889091897 FVVVZZHQTWGHEP-CYBMUJFWSA-N 302.353 2.533 0 40 DFAB O=C(c1ccco1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238866333 LVXJYCSSZRZAES-KBPBESRZSA-N 309.325 2.686 0 40 DFAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCCC1 5195347 NUBUTTUVCSSANT-CYBMUJFWSA-N 321.808 2.641 0 40 DFAB Cc1cc(C)c(NC(=O)C(=O)NCc2cccs2)c(C)c1 5251362 IDDZRADVPPBORI-UHFFFAOYSA-N 302.399 2.928 0 40 DFAB O=S(=O)(Nc1nncs1)c1cc(Cl)ccc1Cl 5557824 XXWDNMCTCGHWBR-UHFFFAOYSA-N 310.187 2.646 0 40 DFAB CCc1nnc(SCCCOc2ccccc2C(=O)O)o1 8731622 YWWZNDPUHDXWNI-UHFFFAOYSA-N 308.359 2.891 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1 63946 BUWBGBDIKIPVSR-UHFFFAOYSA-N 312.325 2.904 0 40 DFAB Cc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cn1 40287281 KAMSQNJLONHYJA-UHFFFAOYSA-N 314.418 2.542 0 40 DFAB Cc1cc(SCc2cc(=O)n3cccc(C)c3n2)nc(C)n1 32782092 UKAVLANNIRCZJT-UHFFFAOYSA-N 312.398 2.702 0 40 DFAB O=C1CCc2cc(C(=O)OCC(=O)C3CCCCC3)ccc2N1 21535275 PCVQWVAZGJVWDL-UHFFFAOYSA-N 315.369 2.878 0 40 DFAB COc1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 453278 AOESZHUFFVMDKI-OQLLNIDSSA-N 324.292 2.948 0 40 DFAB CCN(CC)C(=O)CN(C)Cc1cc(-c2cccs2)on1 53094261 KEIZZJRQQYRCBR-UHFFFAOYSA-N 307.419 2.703 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@H]12)C1(c2ccc(F)cc2)CC1 46994042 WXXQGGGOKYNAPJ-JKSUJKDBSA-N 302.393 2.600 0 40 DFAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1N1CCCC1=O 8944622 LFWFCARLUHMTHX-AWEZNQCLSA-N 315.417 2.626 0 40 DFAB CN(C(=O)CCc1ccsc1)c1ccccc1S(C)(=O)=O 78987372 RGKNSCWMPNZQEI-UHFFFAOYSA-N 323.439 2.747 0 40 DFAB CC(=O)NCc1ccc(-c2csc(NC[C@H]3CCCO3)n2)o1 23386362 ASWMPMIZUNKCED-LLVKDONJSA-N 321.402 2.630 0 40 DFAB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)ccc1C 23342660 DRNIAMCLQYTWOW-UHFFFAOYSA-N 312.325 2.587 0 40 DFAB CCN(CC)CCNC(=O)NC[C@H]1CCCc2ccccc21 47578436 MNIRZXOGLZNHRC-MRXNPFEDSA-N 303.450 2.748 0 40 DFAB COc1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1F 54610175 HIIPBVKIZSIRPK-ZBEGNZNMSA-N 302.349 2.712 0 40 DFAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)sc1Cl 54814411 ZGDFXJSOXOHCGC-MRVPVSSYSA-N 321.229 2.748 0 40 DFAB Cc1noc(C)c1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24225439 WSEOYQIGWOMYEM-UHFFFAOYSA-N 324.384 2.808 0 40 DFAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc[n+]([O-])c1 22131536 RXDYYTZXWNHMOG-UHFFFAOYSA-N 314.675 2.827 0 40 DFAB COc1ccc(Cn2nc(C)n(-c3cccc(F)c3)c2=O)cc1 1395133 WLPKFXZGFMGDTM-UHFFFAOYSA-N 313.332 2.538 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc[n+]([O-])cc1 55735825 QRWNPUUVCVUUAG-LBPRGKRZSA-N 307.353 2.561 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cnn(C)c1 25309129 KOZZPEZWQAADHL-UHFFFAOYSA-N 302.359 2.626 0 40 DFAB C[C@H](CN[C@@H]1CCc2c(Br)cccc21)[S@@](C)=O 108373415 KIVLOTDTQRUJHS-KRVQHAQSSA-N 316.264 2.793 0 40 DFAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1 27415269 YLDWDQHAUBCQFC-OAGJVSPASA-N 307.353 2.932 0 40 DFAB O[C@H](CNc1ncnc2sccc12)COc1cccc(F)c1 44976214 ZDJZKPVJJZRNTO-LLVKDONJSA-N 319.361 2.682 0 40 DFAB O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1F 58329346 YDRHLSVBXHPZPL-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)s1 28248419 GJXQXWJVSZRTMB-UHFFFAOYSA-N 309.416 2.526 0 40 DFAB COCCOc1ccc([C@@H](C)NC(=O)C2CCC2)cc1OC 48356612 MSUFHSMRSOEZLY-GFCCVEGCSA-N 307.390 2.698 0 40 DFAB C[C@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)[C@@H](C)CO1 28984932 LAVOBVYBNQNLQB-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 3438950 DHRBJTARHFLZEM-UHFFFAOYSA-N 300.383 2.901 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1C 20143745 UNLKQJSMPHFPFH-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB Cc1ccoc1-c1nnc(CN[C@H](C)[C@H](C)n2cccn2)o1 72269760 KQSBGVQHWVGCED-NEPJUHHUSA-N 301.350 2.574 0 40 DFAB O=C(O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3886791 RLUNQXFMRDUOAE-UHFFFAOYSA-N 302.377 2.979 0 40 DFAB O=C(NCc1cccs1)c1cn(-c2cccc(Cl)c2)nn1 13355753 WEQCOBKSYPLNPJ-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1CNc1cccc(Cl)c1 4019005 AMGXZDFNQKJLSI-IOQCUFBNSA-N 304.777 2.741 0 40 DFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCCCC1 5043761 PIFFKGFDBQEREU-INIZCTEOSA-N 321.417 2.514 0 40 DFAB COc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(C)n2)n1 96001212 VSHFCPLKLXFAIO-CYBMUJFWSA-N 316.361 2.539 0 40 DFAB Cc1cccn2cc(CC(=O)N[C@H]3CCc4ccccc43)nc12 65607646 AXUNJUVUVZPTEX-KRWDZBQOSA-N 305.381 2.989 0 40 DFAB Cc1ccc(C(=O)OCc2cc(Cl)cc3c2OCC3)c(=O)[nH]1 96008800 JRXLDZNFEYAPKE-UHFFFAOYSA-N 319.744 2.629 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)c1C 14213347 MWCSTLWRSUUWLU-AWEZNQCLSA-N 309.369 2.690 0 40 DFAB O=c1[nH]ncc(NCc2ccccc2OC(F)F)c1Cl 14330708 PKHVXMHLGGTLRF-UHFFFAOYSA-N 301.680 2.637 0 40 DFAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc(OC)c1OC 4666525 JUPJDCRHUMOPMN-UHFFFAOYSA-N 317.341 2.979 0 40 DFAB O=C1[C@H]2CCCN2C(=O)N1CCCSCc1ccccc1 90187764 WFTLPBQBRYNVHD-CQSZACIVSA-N 304.415 2.737 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)no1 7258130 NMDVKGAFHYEDDK-SECBINFHSA-N 320.370 2.717 0 40 DFAB CCOc1ccc(-c2cc(C(=O)NCc3ccccn3)n[nH]2)cc1 15721681 MBUNJYCXWPUFIC-UHFFFAOYSA-N 322.368 2.800 0 40 DFAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(C)cn2)cc1 7536780 URSIWSXGCGMVAQ-LBPRGKRZSA-N 313.357 2.531 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 16089411 HSTNTCWEPAFVFK-SNVBAGLBSA-N 318.236 2.870 0 40 DFAB C[C@@H]1CN(C[C@H](O)COC(C)(C)C)C[C@H](c2ccccc2)O1 68300653 IVUUWMGWSDBRJH-HYVNUMGLSA-N 307.434 2.624 0 40 DFAB C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccncc1 97045677 ICISHAJOSGEYIW-CYBMUJFWSA-N 313.405 2.510 0 40 DFAB CCNC(=O)[C@@H]1CCCN(Cc2ccc(SC)c(OC)c2)C1 68816853 WLOGOJVADXXFTN-CQSZACIVSA-N 322.474 2.765 0 40 DFAB CCc1nnsc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C 96423990 ICSHMBQLVKNCHV-NSHDSACASA-N 316.430 2.976 0 40 DFAB CCOC[C@H]1CCN(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)C1 81472557 NSXZGXRDGLKDBP-OLZOCXBDSA-N 324.396 2.963 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ncccn2)C1 9577527 UUGXFFOHNCQZKO-LBPRGKRZSA-N 316.792 2.985 0 40 DFAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccco1 8292601 HQGJDCWQEKSWTO-UHFFFAOYSA-N 304.371 2.712 0 40 DFAB Cc1c[nH]cc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 71808688 JURIPKCFJKOYDW-UHFFFAOYSA-N 323.849 2.996 0 40 DFAB CCCO[C@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)C1 71835095 BVYPHDNGKMDSAH-LBPRGKRZSA-N 321.446 2.974 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 71870664 KIUAZGFQWVWFAS-AWEZNQCLSA-N 318.446 2.617 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)NCCc2nccn2C(F)F)C1 69580546 WVRNOTQQOLFQSN-GHMZBOCLSA-N 300.353 2.508 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)c2cc(F)ccc2F)cc1 97046435 YTLPSAUMAOIJRF-INIZCTEOSA-N 321.323 2.779 0 40 DFAB Oc1nc(-c2cnccn2)nc2cc(F)c(Br)cc12 97085275 ANLWJEFWDMUYAP-UHFFFAOYSA-N 321.109 2.694 0 40 DFAB CCC(CC)N(CCOC)S(=O)(=O)c1ccc(OC)cc1 71912467 HRKVZCCISDNKBG-UHFFFAOYSA-N 315.435 2.521 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)sc1C)CC2 95400675 KPILRWCUVRWBQO-GJZGRUSLSA-N 323.458 2.757 0 40 DFAB O=C(NCCOCc1ccc(Cl)cc1Cl)[C@@H]1CCOC1 95988967 RDLMUIDYWUENDP-LLVKDONJSA-N 318.200 2.663 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 95978398 KZAQUVORJSLQQY-SWLSCSKDSA-N 307.438 2.938 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 95970832 MBGIRFLIQOWPNP-IOASZLSFSA-N 307.777 2.767 0 40 DFAB COc1ccc(OC(C)C)c(NC(=O)NCc2ncc[nH]2)c1 89888084 HCWXBGQENDBXRS-UHFFFAOYSA-N 304.350 2.527 0 40 DFAB CC(C)c1ccc(-n2nnnc2S[C@@H]2C[C@H](C)OC2=O)cc1 25548557 MVXDPQMHFPQDQG-GXFFZTMASA-N 318.402 2.582 0 40 DFAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)O)CCNC2)c1 72391733 XJKOFDYIHSRBNL-IBGZPJMESA-N 311.381 2.969 0 40 DFAB CCO[C@@H](C)c1noc(CN(C)Cc2ccc(Cl)nc2)n1 75887267 HUZDGJFAHZHEKQ-JTQLQIEISA-N 310.785 2.848 0 40 DFAB CN(C)C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 34338885 NJTVUDGJKBDXLV-NRFANRHFSA-N 323.484 2.935 0 40 DFAB COc1cc(-c2[nH]nc3c2C(=O)CCC3)cc(OC)c1OC 71279349 FTYPXZAEQDBBBB-UHFFFAOYSA-N 302.330 2.622 0 40 DFAB COc1ccc2cc(NC(=O)CCc3cnn(C)c3C)cnc2c1 72247444 IHEGBOAMNHOYBD-UHFFFAOYSA-N 324.384 2.857 0 40 DFAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCc1cccs1 72242560 DCZXRODCAUFQCA-OAHLLOKOSA-N 301.415 2.973 0 40 DFAB COc1ccc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 78147965 SSMYAGFEKNDCON-ZNMIVQPWSA-N 303.402 2.941 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C 72210459 COPNRBGCMYZHMV-DTTOXWODSA-N 310.482 2.804 0 40 DFAB CCn1ccc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)n1 226749072 DXQHMZIYSMNZQX-INIZCTEOSA-N 316.336 2.564 0 40 DFAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 225438027 FXHRHWQWFHLDTF-QMMMGPOBSA-N 306.749 2.941 0 40 DFAB biogenic,in-vitro COC(=O)N1CC[C@@H]2CC[C@H]1[C@@H]1CCCC[C@@H]2N1C(=O)OC 45069510 RERJTUBMHHYGLD-XUXIUFHCSA-N 310.394 2.617 0 40 DFAB CC(=O)c1ccc(CCNC(=O)COc2ccccc2F)s1 225670779 HCLCYDJTOGDLAZ-UHFFFAOYSA-N 321.373 2.828 0 40 DFAB Cc1cc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)no1 96218386 XZFKOOWIACYAPL-IRXDYDNUSA-N 306.406 2.533 0 40 DFAB CC(C)N1CC[C@]2(CCC[C@@H](CNC(=O)c3ccccc3)O2)C1 96208467 FIIKJRJVQZCBPQ-PKOBYXMFSA-N 316.445 2.838 0 40 DFAB O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3cccnc3)CC2)N1 96061422 BTYDKHZPRFKMMQ-SFHVURJKSA-N 321.424 2.720 0 40 DFAB COC(=O)c1ccc(Cn2cnc3c(C)cccc3c2=O)s1 96462824 QUPLEWWQRMSAHQ-UHFFFAOYSA-N 314.366 2.601 0 40 DFAB O=Cc1c(-c2cccc(F)c2)nn2ccnc(N3CCCC3)c12 96530803 DGCLLOPCHKNNPX-UHFFFAOYSA-N 310.332 2.948 0 40 DFAB COc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCO1 96453153 UUSAUSSWXDYCMF-JTQLQIEISA-N 314.179 2.884 0 40 DFAB CC(C)C(=O)N[C@@H]1COC2(CCN(Cc3ccccc3)CC2)C1 96224823 CKOSXJPYNNOZDH-KRWDZBQOSA-N 316.445 2.582 0 40 DFAB Cc1cccc(N2CCc3ncnc(-c4cccnc4)c3CC2)n1 96255318 OZBPHWXXWKIZQY-UHFFFAOYSA-N 317.396 2.847 0 40 DFAB CO[C@H](C(=O)NC[C@@H](O)c1ccccc1Cl)c1ccccc1 96420003 VCJJTDSJUKKAHC-CVEARBPZSA-N 319.788 2.877 0 40 DFAB CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(Br)ccc21 95629330 NFMLPYJNKOCRBD-UHFFFAOYSA-N 313.151 2.875 0 40 DFAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]21 257284515 PCYOJRQFOKMNKR-OWCLPIDISA-N 314.458 2.885 0 40 DFAB Cc1cc(O)nc([C@]2(C)CCCN2C(=O)c2ccccc2F)n1 257226048 FIXLVBLBASYJMQ-KRWDZBQOSA-N 315.348 2.781 0 40 DFAB Cc1cccc(CN2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)n1 257200871 AFEKTZTVMCJSRA-BPQIPLTHSA-N 323.444 2.527 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2snnc2C(C)C)n1 257283557 OYVBSSARZQERMC-LBPRGKRZSA-N 317.418 2.737 0 40 DFAB Cc1cnc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)cn1 257233123 GNXHOZBXEWREGN-LESCRADOSA-N 323.396 2.715 0 40 DFAB O=C1NCCN1C(=O)N[C@H](c1ccsc1)c1cccs1 390826288 HELMTDMREWGSSO-LLVKDONJSA-N 307.400 2.634 0 40 DFAB Cc1cc(NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)cnc1O 585140604 HIUAFLNRURHIJA-JTQLQIEISA-N 320.361 2.663 0 40 DFAB CCc1ocnc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 76044513 VWVVODJRUGTLQB-JTQLQIEISA-N 304.350 2.721 0 40 DFAB S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCCC2)nc1 11102104 PXQZLQNBYYOSSY-AWEZNQCLSA-N 320.462 2.537 0 40 DFAB CCOC(=O)C(Cc1ccc2ccccc2n1)C(=O)OCC 13283842 VPTVXOFDLUCWHK-UHFFFAOYSA-N 301.342 2.520 0 40 DFAB CC(C)Oc1cncc(C(=O)N2CCO[C@@H](c3ccco3)C2)c1 151491298 AJPBZFCWSZLTEU-MRXNPFEDSA-N 316.357 2.676 0 40 DFAB Cc1ccccc1-c1noc(CSCC(=O)NC(C)C)n1 31423081 OXARXHKGVIVCPD-UHFFFAOYSA-N 305.403 2.803 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2ncnc3c2CCCC3)c1 1888866712 RFISEQWFYYFERN-UHFFFAOYSA-N 310.357 2.566 0 40 DFAB CCCc1ccc(O[C@H](C)c2nc(-c3nonc3N)no2)cc1 112157 GHYOJYTYPGMFTF-SECBINFHSA-N 315.333 2.794 0 40 DFAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccco1 16838611 AXGAXIUUMSRHRY-UHFFFAOYSA-N 312.281 2.593 0 40 DFAB Cn1cc(-c2cncc(CNC(=O)/C=C/c3cccs3)c2)cn1 575414842 XQHXSOFMIZIZGV-SNAWJCMRSA-N 324.409 2.873 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccc(C)o1)N2 30540957 ATORPAKAVZYURC-HNNXBMFYSA-N 302.330 2.802 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3OC)on2)CCO1 30848454 KVCDABLMPSHAGP-GFCCVEGCSA-N 316.357 2.601 0 40 DFAB CCOc1cc(C(=O)N(C)C)ccc1OCc1cccnc1 40498449 KQKLSPRPCBBKOS-UHFFFAOYSA-N 300.358 2.761 0 40 DFAB CC(=O)NCc1ccc(C(=O)CSc2ccccn2)s1 31682698 JRHQHTPOCLXQTL-UHFFFAOYSA-N 306.412 2.754 0 40 DFAB COc1ccc(C2=C[C@@H](c3ccco3)n3ncnc3N2)cc1OC 100834925 NCEURJZUKUYMAE-ZDUSSCGKSA-N 324.340 2.944 0 40 DFAB COc1ccc(C(=O)NCc2ccncc2)cc1OC(F)F 40540070 ZMQSKIDTUWNDDY-UHFFFAOYSA-N 308.284 2.622 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)[C@@H]3CCCO3)cs2)cc1 41132660 UKIVGVKDJJEXSW-HNNXBMFYSA-N 316.426 2.956 0 40 DFAB O=C(CCc1ccc(F)c(F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 32815956 KZCAQVBLYGHEHY-UHFFFAOYSA-N 317.295 2.706 0 40 DFAB CSc1nc(NN)c2c3c(sc2n1)CO[C@H](C(C)C)C3 547812 WTTSYJVMQGYYMO-QMMMGPOBSA-N 310.448 2.796 0 40 DFAB Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)no1 41952570 IURGMQSJCJWZCE-ZDUSSCGKSA-N 305.403 2.611 0 40 DFAB COc1cc(-c2cc(N)on2)ccc1I 1857794367 PEVLKQHOOMCVBR-UHFFFAOYSA-N 316.098 2.537 0 40 DFAB Nc1c(C(=O)NC2CC2)sc2nc(-c3ccccn3)ccc12 12360631 CBQVSKORMFEZEU-UHFFFAOYSA-N 310.382 2.833 0 40 DFAB Cc1ccn(-c2ccc(N[C@H](CCO)c3ccccc3)nn2)n1 77238261 ZWUKFIWDNHLTDX-OAHLLOKOSA-N 309.373 2.506 0 40 DFAB c1ccc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 22796030 DNKPRABUXGEJPB-UHFFFAOYSA-N 324.384 2.647 0 40 DFAB CC(C)N(C)CCNC(=O)c1ccc(Br)cc1F 54134575 RPIYBSSUPVVZNN-UHFFFAOYSA-N 317.202 2.658 0 40 DFAB Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3[nH]ncc23)cc1 23135923 GSXSDWKERPODQK-CYBMUJFWSA-N 324.388 2.996 0 40 DFAB CCCCn1c(SCC(=O)N(C)C)nnc1-c1ccccc1 4161244 NQUZCGQCKRKRPB-UHFFFAOYSA-N 318.446 2.926 0 40 DFAB CCCc1cc(NCCc2ccc(OC)cc2)n2ncnc2n1 4898060 TYMZOFUUPKDSLD-UHFFFAOYSA-N 311.389 2.740 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)s1 25815215 LZWDTUFHKXKOKF-LBPRGKRZSA-N 309.460 2.854 0 40 DFAB COc1ccc(N)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3208132 ICDBCKJYXNJUPS-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB CS(=O)(=O)C[C@H](NCc1ccncc1Cl)c1ccccc1 95985972 YLINBWIVEHBGKY-HNNXBMFYSA-N 324.833 2.611 0 40 DFAB O=C(CSc1ccc(Br)cn1)N1CCCCC1 58162643 GLBZUTPFFGRDIX-UHFFFAOYSA-N 315.236 2.949 0 40 DFAB CCc1noc(CN2CCCN(Cc3ccc(C)cc3)CC2)n1 58283235 BLVGISWRZVCSCM-UHFFFAOYSA-N 314.433 2.648 0 40 DFAB Cc1noc(C)c1COC(=O)CCCNC(=O)OC(C)(C)C 28136815 LZDYTXWESKYHJO-UHFFFAOYSA-N 312.366 2.640 0 40 DFAB O=C(c1ccc(-n2ccnc2)nc1)N1CCCc2ccccc21 48309900 OJDNBEHRRAKJJW-UHFFFAOYSA-N 304.353 2.860 0 40 DFAB CN(Cc1ccco1)C(=O)NC[C@@H](c1ccsc1)N(C)C 46346964 OGYJQAVATPQBFQ-AWEZNQCLSA-N 307.419 2.785 0 40 DFAB COc1ccc(-c2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)cc1 100071870 UQDAVHRDGYRTOM-UHFFFAOYSA-N 318.336 2.760 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1F 12862466 JPDQSLZWJTTWRA-CYBMUJFWSA-N 318.392 2.936 0 40 DFAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)s1 3416894 DSXIWYDOJQLVJS-MRVPVSSYSA-N 311.407 2.955 0 40 DFAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC1CCCC1 3497946 ZEHLIIYJQZHHPT-UHFFFAOYSA-N 311.765 2.564 0 40 DFAB COC(=O)Nc1ccc(OS(=O)(=O)c2cccs2)cc1 48671400 PVLZYRGEPZOMPA-UHFFFAOYSA-N 313.356 2.694 0 40 DFAB Cc1cc(C)c(CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)c1 64926523 IUTVNJMQFPAYHR-UHFFFAOYSA-N 314.385 2.845 0 40 DFAB Cc1nc2sccc2c(=O)n1NC(=O)CC(C1CC1)C1CC1 65050828 NFPCENYBFUWDDS-UHFFFAOYSA-N 317.414 2.663 0 40 DFAB C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)NC1CCCC1 5213918 NLGQNOBQQOWUCW-JTQLQIEISA-N 318.402 2.671 0 40 DFAB Cc1nc(C(C)(C)C)nc(N2CCC(n3cncn3)CC2)c1C 65535760 PIAFXGQUSDRVRJ-UHFFFAOYSA-N 314.437 2.824 0 40 DFAB O=C1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CN1 84392709 YBCNZULVXADIIX-YOEHRIQHSA-N 318.392 2.699 0 40 DFAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 66059737 OHVDDJQMUKKYGX-VIFPVBQESA-N 304.173 2.620 0 40 DFAB CC(C)OCCCNC(=O)c1cc(-c2cccs2)nn1C 72405178 VRELHRYWSPWNOO-UHFFFAOYSA-N 307.419 2.694 0 40 DFAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cscn2)cc1 97376318 GMCUYRJQESMYAP-SNVBAGLBSA-N 304.371 2.747 0 40 DFAB O=C(O)c1[nH]nc2cc(Br)cc(Br)c12 14982836 IRPZPQUTXGHQIG-UHFFFAOYSA-N 319.940 2.786 0 40 DFAB CC(C)(C)SCCNC(=O)C(=O)Nc1c(F)cccc1F 67597907 GEZFRSQQJXJHKX-UHFFFAOYSA-N 316.373 2.551 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2coc(Br)c2)cn1 71796800 DPAABBAREIHRRC-LLVKDONJSA-N 324.178 2.753 0 40 DFAB CCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 7718712 NGFLPJCVMGZDPB-UHFFFAOYSA-N 307.353 2.598 0 40 DFAB Cc1nc(CN2CCC[C@H]2C(=O)OCc2ccccc2)oc1C 68855848 ZXCIPBKDISJLQO-INIZCTEOSA-N 314.385 2.999 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2NC1=O 8014548 IMUBKRFDDQCHHY-MRVPVSSYSA-N 318.279 2.937 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCc1cccnc1 83698720 GWFFOTHCIQLRNO-HNNXBMFYSA-N 324.428 2.674 0 40 DFAB COCCNC(=S)N[C@@H]1CCSc2ccc(Cl)cc21 16703962 PXJQUSGDLHMGNR-LLVKDONJSA-N 316.879 2.987 0 40 DFAB Cc1nc(C)c(C(=O)Nc2ccccc2N2CCOCC2)s1 8342658 OUHRDTPLAKUNAK-UHFFFAOYSA-N 317.414 2.849 0 40 DFAB CN(CCCOc1ccc2c(c1)OCO2)C1CCC(CO)CC1 83860844 ODWXQQLAWRIMLV-UHFFFAOYSA-N 321.417 2.667 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 69949814 JGACYBDGYHUZEX-HUUCEWRRSA-N 319.449 2.947 0 40 DFAB O=C(NCCOCc1ccc(Cl)cc1Cl)[C@H]1CCOC1 95988968 RDLMUIDYWUENDP-NSHDSACASA-N 318.200 2.663 0 40 DFAB C[C@H](Nc1cccc(CO)c1)C(=O)N1c2ccccc2C[C@H]1C 72120238 MZTVYYSSHCEWIN-KGLIPLIRSA-N 310.397 2.957 0 40 DFAB O=C(Nc1cnn(-c2ncccn2)c1)c1c(F)cccc1Cl 72291565 WYHNAHHPVQWRCO-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CN(C)Cc1c(C(=O)N(C)c2cnn(C)c2)oc2ccccc12 72296681 LKKXODZFRCDFRV-UHFFFAOYSA-N 312.373 2.505 0 40 DFAB COc1cccc2cc(CN[C@H]3CCN(C(C)=O)C[C@@H]3C)oc12 89937445 VGNUMPKWBCDZIF-LRDDRELGSA-N 316.401 2.788 0 40 DFAB CCO[C@@H]1C[C@H](NCc2ccc(Cn3cncn3)cc2)C1(C)C 89985619 CUBXDAAMLDPSMK-DLBZAZTESA-N 314.433 2.620 0 40 DFAB CC(C)c1ccc([C@H](C)CC(=O)N2CCS(=O)CC2)cc1 76018411 ZRTXGRSSFWMZCY-CQSZACIVSA-N 307.459 2.895 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C=O)cc2)CC1=O 408653962 FSQSUMBJYNDHGP-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 67800975 YBITZJCEBLOMIR-NSHDSACASA-N 308.353 2.565 0 40 DFAB Cc1oc(-c2ccccc2)c(C(=O)NCCCn2ccnn2)c1C 189071241 YBMCUANPVSSJRT-UHFFFAOYSA-N 324.384 2.975 0 40 DFAB CC[C@@H](C)C[C@@H](NC(=O)c1cccc2c1CCC2=O)C(=O)OC 3843065 YTCJREVRPOFTPT-IAQYHMDHSA-N 317.385 2.523 0 40 DFAB biogenic CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@H]1c1cccs1 72240987 VEBMAZKDNXEJEO-CABZTGNLSA-N 321.427 2.753 0 40 DFAB COC(=O)[C@H](C)[C@@H](NCc1c(C)noc1C)c1ccccc1 79922817 YOSKVEKFFYOLOU-BDJLRTHQSA-N 302.374 2.931 0 40 DFAB CC[C@@]12OC(=O)CN1N(C(=O)C(C)C)c1ccccc1[C@H]2C 38337642 GZCNHJAIDILMIB-PXAZEXFGSA-N 302.374 2.673 0 40 DFAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 35655430 VMQMDASEWUWULF-CQSZACIVSA-N 302.418 2.762 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCc2cccc(O)c21 568348107 YNAKFRPPRSCNRI-CYBMUJFWSA-N 321.380 2.657 0 40 DFAB O=C(c1ccco1)N1CCN(c2nccc3sccc23)CC1 338300624 CPQPYFASUZOIRB-UHFFFAOYSA-N 313.382 2.852 0 40 DFAB COC(=O)[C@@H](C)Sc1nnc(COc2cccc(C)c2)o1 40456776 CJQUKGNSFPFSIP-SNVBAGLBSA-N 308.359 2.611 0 40 DFAB Cc1c2ccc(NC(=O)N[C@@]34C[C@@H]3COC4(C)C)cc2nn1C 529103536 IKHKNCWUZLWUKS-DIFFPNOSSA-N 314.389 2.571 0 40 DFAB Cc1cc(NCc2ncc[nH]2)cc(N2CCN(C(C)C)CC2)c1 191680167 PVXFJJCMHOWARN-UHFFFAOYSA-N 313.449 2.861 0 40 DFAB COc1ccc2oc(-c3cc(-n4cnnc4)ccc3O)nc2c1 45920609 BSGWZQXBYBCYSJ-UHFFFAOYSA-N 308.297 2.790 0 40 DFAB C[C@@H](CNC[C@](C)(O)c1cnn(C)c1)c1cccc(Cl)c1 195573345 JSJATTAYINAHAY-LRDDRELGSA-N 307.825 2.674 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 222398498 NFJBEOKXKYNELU-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB CO[C@@H](CNC(=O)Cc1cccc(O)c1)c1ccc(F)cc1 84406974 YNEVXCMOTYOJDT-INIZCTEOSA-N 303.333 2.578 0 40 DFAB C[C@H](C(=O)O)[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 195541877 GQPRIOKDWNRGKA-YVEFUNNKSA-N 315.344 2.946 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1cscn1 96474954 OTSIRZXYQIHUMU-UHFFFAOYSA-N 318.185 2.654 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnn(C2CCOCC2)c1 96104582 ZIONJEKPLAKLFQ-CYBMUJFWSA-N 315.373 2.641 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccs1)C2 96201052 BHXIGEBMLGDBPF-UHFFFAOYSA-N 304.463 2.801 0 40 DFAB CC(C)(NC(=O)c1ccc2ncccc2c1)C(C)(C)C(=O)O 96422183 RTICBPAFDAJYEV-UHFFFAOYSA-N 300.358 2.854 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc(Cl)c1)CC2 95957959 HWAUQJCHNPMWSQ-ZDUSSCGKSA-N 318.808 2.800 0 40 DFAB c1ccc(N2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)nc1 257284754 PEDFMRGOHRZCRD-CYBMUJFWSA-N 306.373 2.646 0 40 DFAB CC(=O)O[C@H]1c2occ(C)c2[C@H]2C=C(CC[C@@H]3O[C@]31C)C(=O)O2 253390667 YLGLAOLTWCNDOX-PZNPJNSTSA-N 318.325 2.668 0 40 DFAB biogenic,in-vitro Cc1cc(CC(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)on1 585286090 NQRJNVWSOZCXTE-SUMWQHHRSA-N 306.406 2.722 0 40 DFAB O=C(CSc1nccc(C(F)(F)F)n1)Nc1cccnc1 69950856 FBGDNQGPMZZLEI-UHFFFAOYSA-N 314.292 2.621 0 40 DFAB CC1CCC(OC(=O)Cn2c(CO)nc3ccccc32)CC1 58004155 BEZKUZUWGFFULP-UHFFFAOYSA-N 302.374 2.651 0 40 DFAB O=C(CN1CC[C@H](Nc2ccccc2)C1)NCC1CCCCC1 76756342 WRSNXCCQRJBRNR-SFHVURJKSA-N 315.461 2.869 0 40 DFAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)C1CCC1 75166580 PGWGHZPFURTDQY-UHFFFAOYSA-N 306.362 2.967 0 40 DFAB CC1([C@H]2CCCN(C(=O)c3cccc4cc[nH]c34)C2)OCCO1 97372703 FVXYMFPFCKVJBK-AWEZNQCLSA-N 314.385 2.783 0 40 DFAB O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccccn1 12086933 JLIKLOYPSUQOSY-MRXNPFEDSA-N 324.380 2.884 0 40 DFAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(c3ncccn3)CC1)O2 19219298 SXHVCJZZNZQAAS-HNNXBMFYSA-N 311.385 2.640 0 40 DFAB Cc1ccc(OC[C@]2(O)CCN(Cc3ncccc3C)C2)cc1 643914306 OGPPKYULMPCJBP-IBGZPJMESA-N 312.413 2.714 0 40 DFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC(=C2CC2)CC1 238936893 VPESYWAGVYZCDA-UHFFFAOYSA-N 312.413 2.850 0 40 DFAB O=C1C[C@H](C(=O)NCCc2cccs2)c2ccc(F)cc2N1 8752019 MSEQVABLYUHUMN-ZDUSSCGKSA-N 318.373 2.672 0 40 DFAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 1848355487 ZBFCSWGCXDQVCB-AWEZNQCLSA-N 301.365 2.806 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1 3623313 BBBCREXMBKFVEP-MRXNPFEDSA-N 313.353 2.949 0 40 DFAB biogenic COc1ccc([C@H](O)CN2CCN(C3CCCCC3)CC2)cc1 49420864 FBTZWBWOZCPKRL-LJQANCHMSA-N 318.461 2.679 0 40 DFAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCCCC3)C[C@H]2C[C@@H]1O 2332242851 VUQHIKSKBIPUHZ-MVJTYMMSSA-N 303.450 2.768 0 40 DFAB C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1cccs1 40497552 PDMSUQKOERDJKF-STQMWFEESA-N 316.430 2.632 0 40 DFAB CCc1noc(CN2CCC[C@@H]2c2ccc(OC)cc2OC)n1 40489632 GIHRMMIWCRPHCN-CQSZACIVSA-N 317.389 2.986 0 40 DFAB CN(C)CCCN1C(=O)[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C1=O 185837 DTTYFBUJAORCHB-CABCVRRESA-N 318.461 2.840 0 40 DFAB biogenic C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccsc2)CC1 51129684 XLYIRSSXRJCJRT-LBPRGKRZSA-N 318.446 2.887 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@@H](C)N1CCc2sccc2C1 40509613 WNPMPQMCYXUARU-SNVBAGLBSA-N 319.430 2.530 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)n1 20722776 QQJYYIGFAJYCMD-TZMCWYRMSA-N 315.398 2.610 0 40 DFAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Nc1cccc(F)c1 101445617 CXXRXKGJYGVQCJ-NUZBWSBOSA-N 306.337 2.535 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1 32912566 OKUUHZOCWZKYRO-OAHLLOKOSA-N 322.311 2.829 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)o1 41895031 DWTOPZFSKOBIPK-XHDPSFHLSA-N 312.369 2.896 0 40 DFAB COC(=O)N1N(C(=O)OC)[C@@]2(C)C(=O)C(C)(C)[C@]1(C)C(C)=C2C 391274 TWWILAZVEPTKMR-CVEARBPZSA-N 324.377 2.515 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccncc2)no1 12321774 JENSMMWDJKMIGA-CYBMUJFWSA-N 322.368 2.883 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 47287890 BODXLZFRXUNKQO-CQSZACIVSA-N 303.362 2.884 0 40 DFAB COCCN(CCOC)C(=O)N[C@@H]1CCSc2ccccc21 53962686 RJKPGLCHDJQHJX-CQSZACIVSA-N 324.446 2.528 0 40 DFAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1 8434725 HOCCWACOJJMWPR-UHFFFAOYSA-N 308.337 2.982 0 40 DFAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CC1 12560856 LBBWPFYIXMVZAI-UHFFFAOYSA-N 316.382 2.836 0 40 DFAB CCc1c(C(=O)Nc2cnn(C)c2)cnn1-c1ccc(C)cc1 25310856 NLFGGFUBDKWKKW-UHFFFAOYSA-N 309.373 2.729 0 40 DFAB CO[C@@H]1CCC[C@@H](OC(=O)C[C@H](C)NC(=O)C2CCCC2)C1 107047796 ZFIBESOQZBDTNW-NWANDNLSSA-N 311.422 2.572 0 40 DFAB c1ccc2c(c1)oc1c(N3CCC4(CC3)OCCO4)ncnc12 26705051 FEVOPLYDGYNCEW-UHFFFAOYSA-N 311.341 2.719 0 40 DFAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccco1)c1nc2ccccc2c(=O)[nH]1 84647183 BVZCMKHOIHLCTE-DRZSPHRISA-N 324.336 2.924 0 40 DFAB C[C@H]1CN([C@H](CN)c2ccccc2C(F)(F)F)C[C@@H](C)O1 21012833 NWNZLOQCRSEDSQ-UHIISALHSA-N 302.340 2.814 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CNc2ccnn2C1 58344810 YQBFNYNHQQJNHE-ZIAGYGMSSA-N 300.406 2.593 0 40 DFAB CN(C)c1cccc(CNC(=O)Cc2noc3ccccc23)c1 58327655 UTRGBJODRXMYPM-UHFFFAOYSA-N 309.369 2.753 0 40 DFAB COCCOc1ccccc1NCC(=O)N[C@H]1CCCC[C@H]1C 58440626 NROCEDXBVOGMJU-CABCVRRESA-N 320.433 2.819 0 40 DFAB Cc1nn(C)c2ncc(CN[C@H]3CCOc4ccccc43)cc12 48353687 QVWDMEHKRKSPJV-INIZCTEOSA-N 308.385 2.890 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)Cn1cccn1 48356328 ILJMQGPMGSNANQ-KGLIPLIRSA-N 303.431 2.710 0 40 DFAB CN(CC1CC1)C(=O)[C@H](c1ccccc1)N1CCSCC1 58811884 OBHFJZWCYRHJAX-INIZCTEOSA-N 304.459 2.645 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)OC 58846611 UGIFDBSBKHFPRX-IAQYHMDHSA-N 300.358 2.552 0 40 DFAB COc1ccc(-c2nc(CN3C[C@@H](C)OC[C@H]3C)co2)cc1 45839346 OBINZOQGOXLRIS-CHWSQXEVSA-N 302.374 2.959 0 40 DFAB COc1ccc([C@H](C)NC(=O)COc2ccccc2OC)cc1 20495509 UURFMXDZOQHPEU-ZDUSSCGKSA-N 315.369 2.960 0 40 DFAB COC(=O)c1sc2nc(-c3cccs3)[nH]c(=O)c2c1C 12810048 ZJPCUYGTMHNKEE-UHFFFAOYSA-N 306.368 2.808 0 40 DFAB O=C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 12940728 KSQAEODBYGDIQU-UHFFFAOYSA-N 316.184 2.859 0 40 DFAB CCN1CC[C@@H](CNCc2c[nH]nc2-c2ccc(OC)cc2)C1 48745050 MWBPIGPQPMLRDN-AWEZNQCLSA-N 314.433 2.517 0 40 DFAB CCN(CCNC(=O)c1ccnc(F)c1)c1ccccc1C 63541817 OKHIEEWRZKAHMS-UHFFFAOYSA-N 301.365 2.785 0 40 DFAB COCCC(C)(C)CNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 97115830 YUJARPLJGABREX-OWCLPIDISA-N 302.418 2.687 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[nH]c(N)n1 6000378 CAGFVIAHXISVKN-QMMMGPOBSA-N 301.375 2.540 0 40 DFAB COC(=O)[C@@H](Sc1ncn[nH]1)c1ccccc1C(F)(F)F 96008284 KXTFNLPGGHGJHA-VIFPVBQESA-N 317.292 2.830 0 40 DFAB Cc1nnc2n1C[C@H](NC(=O)c1cc3ccccc3s1)CC2 65530324 DQTXKYDTTGNIKX-GFCCVEGCSA-N 312.398 2.546 0 40 DFAB Cc1nc(C)c(C(=O)NC[C@H](O)c2cc3ccccc3s2)o1 95411852 BNZKDRMTWNVWQB-LBPRGKRZSA-N 316.382 2.970 0 40 DFAB CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 5326905 YITHBKIADDFECP-UHFFFAOYSA-N 321.384 2.850 0 40 DFAB COC(=O)c1cccc(C(=O)OCCN(C)c2ccccc2)c1 72309991 YVRWCQIDTWUGIW-UHFFFAOYSA-N 313.353 2.766 0 40 DFAB CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1 71889793 KLNVYHAERUYVRW-UHFFFAOYSA-N 302.330 2.576 0 40 DFAB Clc1cccc(-c2nnn(-c3ncnc4sccc34)n2)c1 8120499 PTRDODJNROGLKG-UHFFFAOYSA-N 314.761 2.987 0 40 DFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)OCO2 8230678 MOBXRSJQUBNALK-UHFFFAOYSA-N 324.336 2.560 0 40 DFAB Cc1[nH]c2ccccc2c1CCN[C@H](C(N)=O)c1ccccc1 69388118 UNZVHUXJFXUUQC-SFHVURJKSA-N 307.397 2.835 0 40 DFAB CCCN(CC)c1ccc(C(=O)N[C@@H](C)c2nncn2C)cc1 69350694 YJTVNZCZISWEDO-ZDUSSCGKSA-N 315.421 2.542 0 40 DFAB COC(=O)C1(NCc2coc(-c3ccc(F)c(F)c3)n2)CCC1 97373740 FKQLKUWDSRVCTH-UHFFFAOYSA-N 322.311 2.805 0 40 DFAB O=C(Nc1ncccc1OCc1ccncc1)c1ccncc1 69950029 HOLXDQLCHXIICZ-UHFFFAOYSA-N 306.325 2.703 0 40 DFAB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 226627620 YJDQQCHZOSGEJM-UUIJZJDISA-N 323.270 2.538 0 40 DFAB O=C(c1cccc(CSc2cn[nH]n2)c1)N1CCCCC1 97012154 MHQCULOHURAYJU-UHFFFAOYSA-N 302.403 2.723 0 40 DFAB COC(=O)[C@H](C)N(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 73617753 ASQZNPDSQPRYAL-QMMMGPOBSA-N 320.370 2.656 0 40 DFAB O=C1COc2cc(NCc3cnn(-c4ccccc4)c3)ccc2N1 95951438 YECSRRYFUBKMMO-UHFFFAOYSA-N 320.352 2.815 0 40 DFAB CC(C)C[C@@H](N[C@@H]1CCCC1(C)C)C(=O)N1CCC(CO)CC1 95967888 BZLGXMCORLPLBF-IAGOWNOFSA-N 324.509 2.800 0 40 DFAB COc1cc(C(=O)Nc2cc(-c3cccnc3)n[nH]2)ccc1F 95974611 QVSKNYRZPLQREV-UHFFFAOYSA-N 312.304 2.872 0 40 DFAB COCCNc1ccccc1CNC(=O)N[C@@H](C)C(C)(C)C 89598313 VGGMUJOARPCONB-ZDUSSCGKSA-N 307.438 2.979 0 40 DFAB CC(C)CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 75105751 WKIRPEGUOHFPAS-UHFFFAOYSA-N 313.357 2.585 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 89950080 TYPZXYBCNXUWHV-HNNXBMFYSA-N 304.415 2.887 0 40 DFAB CCNC(=O)c1ccc(I)cc1Cl 76128605 CCNBRGZGMNAEDI-UHFFFAOYSA-N 309.534 2.694 0 40 DFAB CCC[C@H](C)NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235958 BCWDNSUVXFDVKX-LBPRGKRZSA-N 316.401 2.948 0 40 DFAB CCc1ccc(Nc2ccc(N)cc2C(=O)NCCOC)cc1 225467011 MWWCJYODTGXJCN-UHFFFAOYSA-N 313.401 2.951 0 40 DFAB CCOc1cc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79439061 HUCFGVGMDFMGQI-LBPRGKRZSA-N 323.393 2.654 0 40 DFAB Cc1ccccc1CN1CCC(C(=O)NCc2ccccn2)CC1 39761031 CTFKKLOOPWOURV-UHFFFAOYSA-N 323.440 2.918 0 40 DFAB C[C@H](O)C1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 127883040 BABOEJPTIYYPAT-GWCFXTLKSA-N 322.371 2.910 0 40 DFAB OCCN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 72361601 GKNBCHVBXHIUBL-CYBMUJFWSA-N 317.364 2.580 0 40 DFAB Cc1ccc(C[C@@H](NC(=O)c2cnccn2)c2ccccn2)cc1 79360537 GEGYKCKOKBFXEY-QGZVFWFLSA-N 318.380 2.894 0 40 DFAB O=C(O)CC1(CN2CCC(C(=O)c3ccccc3)CC2)CC1 563277763 KWIWNDYWVAIWJL-UHFFFAOYSA-N 301.386 2.836 0 40 DFAB CNc1ccc([C@@H]2CN(Cc3ccc(OC)cc3)CCO2)nc1 72388115 UMJNSYMFOAEWGM-SFHVURJKSA-N 313.401 2.705 0 40 DFAB COc1cc(NC(=O)C2CCN(C)CC2)c(OC)cc1Cl 74713459 GRQUKYXIWAOTHO-UHFFFAOYSA-N 312.797 2.638 0 40 DFAB COc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C)c1OC 49549809 DCWUUNABIFTSAH-AWEZNQCLSA-N 319.386 2.862 0 40 DFAB Cc1cc2c(=O)[nH]c(CC(=O)c3cccc(F)c3)nc2s1 194564439 AVRQJHBFUZNFPI-UHFFFAOYSA-N 302.330 2.858 0 40 DFAB O=C(NCCSc1ncn[nH]1)c1ccc(Cl)cc1Cl 222944240 PZFVOYVRQMJWSQ-UHFFFAOYSA-N 317.201 2.634 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H](C)c1nccs1 195559753 VJMAKZCPQCUUTF-JHJVBQTASA-N 311.451 2.846 0 40 DFAB Cc1nc(C(=O)N2CCS/C2=C/c2c(C)noc2C)co1 225248152 JVSSQZQREVGNOY-AWNIVKPZSA-N 305.359 2.775 0 40 DFAB NC(=O)C[C@H](N)c1ccc(-c2ccc(Br)cc2)o1 44252990 HGHNADQEUHLCGS-JTQLQIEISA-N 309.163 2.584 0 40 DFAB Cc1c(NC(=O)c2ccc3n2CCN[C@@H]3C)c[nH]c2nccc1-2 1579541179 JRBUVQGQOBFADM-LLVKDONJSA-N 309.373 2.541 0 40 DFAB COc1ccccc1OC[C@H](C)NC(=O)Cc1cccs1 224023532 OZLWSRYHNWCOJW-LBPRGKRZSA-N 305.399 2.883 0 40 DFAB Cc1nc2nc3cc[nH]c(=O)c3c(-c3ccccc3Cl)n2n1 40398380 PFGXVCPNIQPGMC-UHFFFAOYSA-N 311.732 2.595 0 40 DFAB CCOCCOc1ncc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225891939 UQYBYVDVDVFKMU-QGZVFWFLSA-N 322.405 2.559 0 40 DFAB COC(=O)c1cccc(NC(=S)NCCCc2ccco2)c1 225805239 BBQDAUQQCHVKKH-UHFFFAOYSA-N 318.398 2.985 0 40 DFAB CCC(=O)N1CC[C@H](NCc2sccc2Br)C1 195564570 NYSTWOHHEXXMHF-VIFPVBQESA-N 317.252 2.611 0 40 DFAB CCc1onc(C)c1C(=O)NCc1ccn(-c2ccccc2)n1 195567250 ZZCSUBGLIBTQET-UHFFFAOYSA-N 310.357 2.661 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1ccc(F)c2ccccc12 228912741 HMXZYSLWNBSVTP-UHFFFAOYSA-N 317.345 2.951 0 40 DFAB CC1(C)CCCN(CCNC(=O)CCCC2CCOCC2)C1 225609359 HPIGFSPVACHTIM-UHFFFAOYSA-N 310.482 2.822 0 40 DFAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1[C@H]1CCC[C@@H](F)C1 574989267 LFZWBJVZGIMYNS-ILXRZTDVSA-N 302.349 2.656 0 40 DFAB O=C(Nc1cccnc1SCc1ccccn1)[C@@H]1CCCO1 96232321 QBCKGTZIVNWCEG-AWEZNQCLSA-N 315.398 2.886 0 40 DFAB CCc1cc(C)c(C(=O)N2CCOC[C@H]2c2cccn2C)o1 97379463 PIIGWKWKYGCPKL-HNNXBMFYSA-N 302.374 2.703 0 40 DFAB COc1ccc(C[C@@H](C)N[C@H]2CCCC[C@@H]2CO)cc1OC 96478103 LFESKTRHUIYSTA-BMFZPTHFSA-N 307.434 2.776 0 40 DFAB CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCc2nc(COC)nn2C1 583651483 NMQZJBKNFAXVAS-RBSFLKMASA-N 306.454 2.545 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1 257244758 IMQUMNQFLPOELC-GFCCVEGCSA-N 301.415 2.898 0 40 DFAB O=C(c1cccc2ncccc12)N1CCCC[C@H]2CNCC[C@H]21 257282105 OSJBGTBRPDYVGL-KBXCAEBGSA-N 309.413 2.839 0 40 DFAB Cc1ncoc1C(=O)N1Cc2nccn2C[C@H]1c1ccccc1 257213026 CFXBDIQDWOYMIL-AWEZNQCLSA-N 308.341 2.577 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCOc2ccccc2)c1C 25643589 LLUCPYHNVKYXOB-UHFFFAOYSA-N 300.358 2.643 0 40 DFAB O=C(NCCCNC(=O)c1cccc(F)c1)Nc1ccccc1 69775324 IOTDYZPZKLHDEJ-UHFFFAOYSA-N 315.348 2.767 0 40 DFAB CCc1c(O)nc2cc(I)ccc2c1O 685937496 ZGUQLHRZYYDNKY-UHFFFAOYSA-N 315.110 2.813 0 40 DFAB Cc1cc(N[C@@H](CO)c2ccccc2)nc(-c2ccncc2)n1 71899447 AHNHWSSELAKSGR-INIZCTEOSA-N 306.369 2.993 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc3[nH]ncc23)C1 71870727 QJBZHCLEWZIDCC-CYBMUJFWSA-N 323.400 2.799 0 40 DFAB O=C(c1sccc1C1CC1)N1CCC[C@@H](n2cncn2)C1 72272129 LCRCUCJVQDAACU-GFCCVEGCSA-N 302.403 2.694 0 40 DFAB Cc1cccnc1OCC1CCN(C(=O)c2ccccn2)CC1 1775995995 QFHLXABICBITMN-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB CO[C@H](CNc1ncnc2c1ncn2C)c1ccc(Cl)s1 1776001474 VOCCIJNRQUQAOF-MRVPVSSYSA-N 323.809 2.878 0 40 DFAB Cc1sc(CNC(=O)c2cnccn2)nc1-c1ccccc1 58313302 NVMPPWXOFWVRST-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cc1cccc(NC(=O)C2CCN(c3cccc(F)n3)CC2)n1 57139367 SHDANIWOWOUNFF-UHFFFAOYSA-N 314.364 2.779 0 40 DFAB COc1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1 16086582 XAVSGCOMMSFDAU-UHFFFAOYSA-N 300.282 2.741 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1 13012816 YTNMPVGAXJXWFT-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc2cc(/C=C3\SC(=S)N=C3O)c(=O)[nH]c2c1 17124139 BOTVVRDOXXOOKK-WZUFQYTHSA-N 318.379 2.866 0 40 DFAB CC(=O)NC(Nc1ccc(C)cn1)(C(F)(F)F)C(F)(F)F 19944154 PFZXPRZBNTZDSQ-UHFFFAOYSA-N 315.217 2.759 0 40 DFAB CCCc1nnc(S/C(=C\c2ccccc2O)C(=O)O)[nH]1 7342224 IVMRMSQVKDQJGV-FLIBITNWSA-N 305.359 2.681 0 40 DFAB CCC[C@H](C)C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 3253631 BMXHMGJETGVIKM-NSHDSACASA-N 306.362 2.563 0 40 DFAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(Nc2ncccn2)C1 238818784 CCRKEFLEEGXEOE-UHFFFAOYSA-N 323.183 2.720 0 40 DFAB COC(=O)c1cc(Br)ccc1NC(=O)C(C)C 140423 HIHUWFHTDVSBEG-UHFFFAOYSA-N 300.152 2.830 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1coc2ccccc2c1=O 4194655 KUJCILOXHFIDGS-UHFFFAOYSA-N 309.277 2.774 0 40 DFAB c1ccc(CSc2nnc3ccc(-c4cccnc4)nn23)nc1 4273136 LXSCZKYRDIIVPK-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB CCOc1ccc(CC(=O)Nc2nnc(-c3ccco3)o2)cc1 7614905 JAOHXNIYYLPNLR-UHFFFAOYSA-N 313.313 2.910 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)c1cc(Br)c[nH]1 30262979 HRMVVNQAMQRRFO-VIFPVBQESA-N 308.179 2.796 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCc2ccsc2)n1 40122487 WSDIZVWUXNKSCR-LBPRGKRZSA-N 320.462 2.739 0 40 DFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(C)nc1 40489298 ADPYLTBBTILRPW-UHFFFAOYSA-N 312.369 2.824 0 40 DFAB Cc1cc(CN2c3cccc4cccc(c34)S2(=O)=O)on1 40468876 MEXKZVBYMNPDTB-UHFFFAOYSA-N 300.339 2.845 0 40 DFAB COc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1OC 40461919 DPFDCPJFEQOADL-UHFFFAOYSA-N 308.422 2.552 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)C[C@@H](O)c2ccccc2)c1 40543110 NLNJITNELCLZFH-QGZVFWFLSA-N 304.411 2.952 0 40 DFAB Cc1nc(CSCCC(=O)NCCc2ccccn2)cs1 40516572 BTBQOCQSLFVRIA-UHFFFAOYSA-N 321.471 2.829 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccn(C)c(=O)c1 40553181 SQIZREOALWYAST-AWEZNQCLSA-N 314.385 2.730 0 40 DFAB C[C@H]1CCCCCN1C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 101136178 CVPFGMNSLLEBHX-LBPRGKRZSA-N 324.384 2.581 0 40 DFAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCCc2ccccc21 101985387 XBWDOZMMIBEARN-IKRFMFEDSA-N 324.428 2.667 0 40 DFAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC(O)CC1 32732180 FMORRUDVFQMRLG-UHFFFAOYSA-N 311.381 2.863 0 40 DFAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccccc1O 490287 WWGKKYSXSBQQEC-LBPRGKRZSA-N 306.321 2.921 0 40 DFAB biogenic Cn1c(C(=O)N2CCO[C@H]3CCC[C@H]32)cc(Cl)c1Cl 53385331 SAGICAABTSZHMZ-KOLCDFICSA-N 303.189 2.725 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)o1 47073100 DLAJLSOUYOHWMB-KGLIPLIRSA-N 321.421 2.595 0 40 DFAB Oc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 250319 ACLXFAHQRDZZNR-UHFFFAOYSA-N 322.368 2.916 0 40 DFAB CC(C)C(=O)N[C@H](NCc1ccco1)C(Cl)(Cl)Cl 19315815 XQBOCEHLDXQRIK-JTQLQIEISA-N 313.612 2.838 0 40 DFAB CCOP(=O)(OCC)[C@H](NC=O)C(Cl)(Cl)Cl 2451453 NRUGLNWTGHPOHD-LURJTMIESA-N 312.517 2.695 0 40 DFAB Cc1c(C(=O)N(C)CCOc2ccc(Cl)cc2)cnn1C 54455747 IDXFPORNHOTZPK-UHFFFAOYSA-N 307.781 2.533 0 40 DFAB Cc1cc(NC(=O)c2ccco2)n(-c2nc3ccccc3[nH]2)n1 4865298 GUEDEPFTZGUYQN-UHFFFAOYSA-N 307.313 2.902 0 40 DFAB COc1ccc(Cl)cc1/C=C/C(=O)NC1CCC(O)CC1 54859721 JQSGROMYGKXPAY-XNWCZRBMSA-N 309.793 2.782 0 40 DFAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(S(C)(=O)=O)cc1 105757557 UFKPCHULWGEQMF-DSPQJCBJSA-N 321.442 2.704 0 40 DFAB COC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 100117410 GJCTYLNZVFYEJY-IAOQFVPISA-N 314.385 2.538 0 40 DFAB CCOc1cc(CNC(=O)c2sccc2OC)ccc1O 95381600 MDGCJKBODPPVEC-UHFFFAOYSA-N 307.371 2.791 0 40 DFAB NC(=O)[C@H](NCCOc1ccc(Cl)cc1)c1ccccc1 26220801 KWZWQNVKYFQOBB-OAHLLOKOSA-N 304.777 2.535 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 35483070 HTTDTYSJSMOSQL-HNNXBMFYSA-N 322.412 2.639 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Cl)c1F)C(=O)O 44297799 IGXZIDSYQVPGPG-JTQLQIEISA-N 317.744 3.000 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc3ccccc3c2)C1=O 44261236 ZHOYWIOUTCPNJN-QFBILLFUSA-N 324.380 2.594 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1Br 3266291 XJTGMOKZCMIZSL-IUCAKERBSA-N 312.163 2.587 0 40 DFAB O=C(Nc1nc(-c2ccco2)cs1)c1cn2cccnc2n1 58016053 WXSYTMJWZPABPU-UHFFFAOYSA-N 311.326 2.698 0 40 DFAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccncc2)C1 58132606 JQWUBUUUSFJLCY-KGLIPLIRSA-N 318.421 2.630 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCN2CCSC2=O)o1 44891452 FZKVQVNLYVMXNF-AAEUAGOBSA-N 322.430 2.920 0 40 DFAB CN(C)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601740 LZTYBFMRFDXXED-SNVBAGLBSA-N 318.320 2.597 0 40 DFAB O=C(C[C@@H]1CCCO1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58291898 GFEKUUHKSGKSGP-CJNGLKHVSA-N 322.836 2.852 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 44972246 QAESXDTWWJHUQH-OAHLLOKOSA-N 315.417 2.757 0 40 DFAB COc1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 12618674 BWGFHRRALWWGLD-UHFFFAOYSA-N 324.340 2.712 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@@H](O)C[C@H]4C[C@H](F)CC[C@@]43C)[C@@H]1CCC2=O 118933705 ULBSLOTZLOGSDW-MXTYUDTPSA-N 324.436 2.878 0 40 DFAB CN1CCC/C1=C/C=C1/C(=O)N(c2ccccc2)C(=S)N1C 100269733 SXGHIMYAMGMPQW-BDXDCFHCSA-N 313.426 2.743 0 40 DFAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C)o1 28575239 IDMCOLBZNCGYAZ-UHFFFAOYSA-N 320.433 2.661 0 40 DFAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N2CCc3ccccc32)n1 12782080 UOXODTROEBGIBJ-LLVKDONJSA-N 316.430 2.998 0 40 DFAB NC(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Cl 29017588 JYHWHIUDXPLNAB-UHFFFAOYSA-N 306.724 2.759 0 40 DFAB CCc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)[nH]1 11717158 UXJVEDOGILESSG-ZETCQYMHSA-N 312.345 2.765 0 40 DFAB CSCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3328351 KOIIUXRVBLOYIT-UHFFFAOYSA-N 322.411 2.883 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(F)cc1 2648876 FLBQZCXBFAMFJN-LBPRGKRZSA-N 313.328 2.960 0 40 DFAB COC(=O)C[C@H](NC(=O)c1scnc1C)c1cccs1 48545753 XHXYJRBSWNTQND-VIFPVBQESA-N 310.400 2.547 0 40 DFAB CC1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 12934053 MVLGKPWLFDFKQT-UHFFFAOYSA-N 310.397 2.828 0 40 DFAB COc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 12990176 CNTQJNAZUUTSCP-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB Cc1cc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)sc1C 82980059 XVYUWUXEERRDEW-ZDUSSCGKSA-N 308.447 2.919 0 40 DFAB CCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 13740721 XHJWGOAUOQPFMU-UHFFFAOYSA-N 317.437 2.831 0 40 DFAB Cc1[nH]c2ncnc(NC(=O)[C@H]3OCCc4ccccc43)c2c1C 96008855 OTCIVFCEWMZQPE-HNNXBMFYSA-N 322.368 2.827 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ncccc2C)c1C 9314048 LESYEOCQNBEIIK-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB CCO[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)C1 65604317 VNIVLAYLOLHBLC-SJORKVTESA-N 313.401 2.500 0 40 DFAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccccc1 14203613 YNLZOHFOEAWVND-YPMHNXCESA-N 317.414 2.725 0 40 DFAB Cn1ncc2c(Oc3ccccc3Br)ncnc21 14216013 DXQJDPJFIWHRTG-UHFFFAOYSA-N 305.135 2.918 0 40 DFAB Cc1cc(C)cc(OCCNS(=O)(=O)c2cccs2)c1 4694119 PBOJNNZBKJTCDW-UHFFFAOYSA-N 311.428 2.722 0 40 DFAB Cc1cnc(CNC(=O)N[C@H](C)c2cnn(C(C)C)c2)s1 95404626 LULUXZCUYPAQTI-LLVKDONJSA-N 307.423 2.789 0 40 DFAB Cc1csc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1 5678490 MWYHHTGLHHHUCN-UHFFFAOYSA-N 314.370 2.573 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1 6784718 YDNIJCQUEQQFCG-UHFFFAOYSA-N 317.366 2.720 0 40 DFAB COc1ccccc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 95434461 XQGKZXKNKWYXIS-DGCLKSJQSA-N 305.399 2.999 0 40 DFAB CC(C)(C)Oc1ccc(C(=O)NC[C@@H](O)C(F)(F)F)cc1 80034967 NRBHNBPUQOPYEI-LLVKDONJSA-N 305.296 2.517 0 40 DFAB Cc1cc(CNC(=O)Nc2cccnc2N2CCCCC2)no1 67583658 XDESSZIXEMDIFV-UHFFFAOYSA-N 315.377 2.690 0 40 DFAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1C[C@@H]1CCCO1 15502906 MHUKIHWCDILDFC-SUMWQHHRSA-N 309.369 2.827 0 40 DFAB C[C@](CO)(NC(=O)N[C@H](c1ccc(F)cc1)C1CC1)C1CC1 95417165 YRIKTAMBRBQNAZ-DOTOQJQBSA-N 306.381 2.737 0 40 DFAB CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3COCCO3)cc2)o1 96408348 PGMVHQGUJBGOJF-HNNXBMFYSA-N 316.357 2.819 0 40 DFAB C[C@@H](NC(=O)Cn1ccnn1)C(c1ccccc1)c1ccccc1 96454911 SVHXUQFHNJCRAW-OAHLLOKOSA-N 320.396 2.615 0 40 DFAB Cc1cccc(NC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 95452926 MVOFXONZXXKTJW-GFCCVEGCSA-N 323.393 2.961 0 40 DFAB Cc1ccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 22927696 IRUPNPVCSZGXMP-CVEARBPZSA-N 319.449 2.594 0 40 DFAB Cc1ncsc1CN(C)[C@@H]1CCN(c2ccccc2)C1=O 68830481 BKROTDAGZOZHPG-CQSZACIVSA-N 301.415 2.689 0 40 DFAB CC(C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 71851787 HLIHWESZWHNSDG-UHFFFAOYSA-N 315.442 2.976 0 40 DFAB CCSc1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)cn1 70014445 YURDEAQNAFQWNL-SNVBAGLBSA-N 324.450 2.618 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 69328687 AUWBUWPTLWZBIC-UHFFFAOYSA-N 323.400 2.799 0 40 DFAB CC(C)c1nc(CCNC(=O)[C@H]2Cc3ccccc3O2)cs1 69530648 CDNKVDGNBLXBPB-OAHLLOKOSA-N 316.426 2.929 0 40 DFAB CN(C(=O)[C@H]1CCCO1)[C@H](c1cccc(F)c1)c1ccccn1 69810783 RQULFMBGENKDRN-IAGOWNOFSA-N 314.360 2.948 0 40 DFAB Nc1nc(COC(=O)C2(c3ccccc3)CC2)nc2ccccc12 8728128 YYAXZWYHPVQMOV-UHFFFAOYSA-N 319.364 2.987 0 40 DFAB COC(=O)C[C@H]1CSCCN1[C@H](C)c1nc2ccccc2o1 97047150 INVQZCLFRWYPHO-NEPJUHHUSA-N 320.414 2.869 0 40 DFAB CCOC(=O)c1ccc(CNc2cnc3c(c2)c(C)nn3C)o1 97057506 CWTZEONRVVYKDV-UHFFFAOYSA-N 314.345 2.659 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1 72273863 BVRHVFBYTLCYPH-CYBMUJFWSA-N 304.419 2.861 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 72291754 AGZHNYHFKMLGHR-ZDUSSCGKSA-N 315.348 2.592 0 40 DFAB Cc1cccc(S(=O)(=O)CCCOc2c(C)nn(C)c2C)c1 97144606 RJXSEMOZLBLSKA-UHFFFAOYSA-N 322.430 2.588 0 40 DFAB CNC(=O)CCCN(C)c1nnc(-c2ccccc2Cl)s1 97137491 IOCSKAKXMWLUJN-UHFFFAOYSA-N 324.837 2.821 0 40 DFAB C[C@@H](NC(=O)NCc1ccco1)[C@H]1CCCN(C2CCC2)C1 97237075 VJVZRRAHUGQMFY-KGLIPLIRSA-N 305.422 2.732 0 40 DFAB Cc1csc2ncc(C(=O)Nc3cccc4[nH]ccc34)c(=O)n12 72401436 DCRBXEHOAJEYBC-UHFFFAOYSA-N 324.365 2.798 0 40 DFAB CCN(CC)CCn1cc(NC2CCN(C(C)(C)C)CC2)cn1 95992463 WJYVNCNUKMHITM-UHFFFAOYSA-N 321.513 2.900 0 40 DFAB Cc1csc(NC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)n1 95963834 KSPRLDCQFWBIFM-QKVFXAPYSA-N 323.443 2.693 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c(=O)[nH]1 75124561 NTNVTZUZDULMHW-CABCVRRESA-N 314.360 2.551 0 40 DFAB CCc1c[nH]nc1NC(=O)CCCOCCc1ccccc1 75105266 VJRWZAIBEQJCFJ-UHFFFAOYSA-N 301.390 2.950 0 40 DFAB C[C@H](CCNC(=O)NCC1CCC(C)(C)CC1)[S@](C)=O 89895486 PCSQADGPJCARAI-MPBGBICISA-N 302.484 2.659 0 40 DFAB COc1cccc([C@H](O)CNC(=O)Nc2ccc(C)s2)c1 75416395 OVIOSASLVVQPFR-CYBMUJFWSA-N 306.387 2.920 0 40 DFAB Cc1ccnc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1 72203170 VHECLASBYITEKG-UHFFFAOYSA-N 306.410 2.621 0 40 DFAB CCCNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579076 YSJUKMSTVOXGAA-UHFFFAOYSA-N 303.362 2.765 0 40 DFAB C/C=C(/C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 119223686 QWVBFXGTZVLOMN-KNVNGTOESA-N 324.306 2.995 0 40 DFAB O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CC[C@@H](CCCO)C1 556701430 YLHWUHDPQCSTDD-SNVBAGLBSA-N 323.343 2.735 0 40 DFAB CCC(=O)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 409193257 IDEKBLDIASDJLQ-ZRDIBKRKSA-N 311.293 2.940 0 40 DFAB COc1ccc2[nH]c([C@H]3CCN(Cc4ccccn4)C3)nc2c1 35446780 UEWHMKCGFXPYAN-ZDUSSCGKSA-N 308.385 2.956 0 40 DFAB biogenic,in-vitro CNC(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1cccc(Cl)c1 72366792 KJKLCIBXWOACBW-AWEZNQCLSA-N 318.808 2.760 0 40 DFAB Cc1nn(C)cc1CN(C)C(=O)c1csc2c1CCCC2 32611723 OBSRDIRSZFMDPU-UHFFFAOYSA-N 303.431 2.941 0 40 DFAB COCCCn1cnc2c(-c3ccc(F)cc3)nsc2c1=O 72347705 DYJVERUSYMKBGG-UHFFFAOYSA-N 319.361 2.696 0 40 DFAB CCn1nc(C)cc1NS(=O)(=O)c1cccc2cccnc12 32609971 AVUDBROHXVGAQF-UHFFFAOYSA-N 316.386 2.560 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 223270064 BPZYLKGSUYHWFK-GUTXKFCHSA-N 309.431 2.779 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1cc(N2CCCCC2)ncn1 225537768 ACZXBIYVKQYGNA-UHFFFAOYSA-N 318.327 2.997 0 40 DFAB Cc1ccc2c(c1)N(C(=O)[C@H](C)Oc1cccnc1)C[C@@H](C)O2 81452373 OPDQMLZJQDZTLA-KGLIPLIRSA-N 312.369 2.971 0 40 DFAB Cc1csc(=O)n1CCC(=O)N1CCCc2ccccc21 40465279 OKVVSUXBIGFHKH-UHFFFAOYSA-N 302.399 2.588 0 40 DFAB CCCOCc1cc(C(=O)N[C@@H](C)COC)ccc1OCC 224711684 UQRSAIZDOXQTLK-ZDUSSCGKSA-N 309.406 2.777 0 40 DFAB CCc1ccc(CNC(=O)N2CC[C@H](C(=O)OC)[C@@H](C)C2)s1 190109344 YWQKKFPGDBLOCE-FZMZJTMJSA-N 324.446 2.651 0 40 DFAB Cc1nc(-c2cccc(OCc3ncnn3CC(C)C)c2)no1 97233325 DRONLHCQBDMMNZ-UHFFFAOYSA-N 313.361 2.872 0 40 DFAB CCC(CC)CN1C[C@@H]2OCCN(Cc3csc(C)n3)[C@@H]2C1 96248784 XIIVJTYPFKQWQH-SJORKVTESA-N 323.506 2.773 0 40 DFAB CN(C)c1ncccc1CNC(=O)N1CCC[C@H]2CCC[C@@H]21 96439072 YBRUSJQLYVBDHO-HIFRSBDPSA-N 302.422 2.622 0 40 DFAB COc1nc2ccccc2cc1CN1CCCC2(C1)OCCO2 97236890 IDCKMVDUBMUJFX-UHFFFAOYSA-N 314.385 2.582 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 96479497 AQIULXDSOUNHNK-GJZGRUSLSA-N 301.386 2.820 0 40 DFAB COC(=O)[C@]1(C)CCN(C(=O)Nc2ccc3c(c2)CCC3)C1 96470734 YLHXBMXIVVXDEL-QGZVFWFLSA-N 302.374 2.592 0 40 DFAB Cc1cc(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)no1 96109750 XPHKZKRNERMRMR-ZDUSSCGKSA-N 316.405 2.683 0 40 DFAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@H]1CCC(C)(C)O1 249501965 JBHKORSXPQUKHL-SIIHOXLZSA-N 305.418 2.615 0 40 DFAB CC(=O)N1CCC[C@H]1c1cncc(CN(C)C2CCCC2)n1 257207028 BGBCCWZGGRBFRM-KRWDZBQOSA-N 302.422 2.534 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257317538 VKEASJYZZVEOFM-LBPRGKRZSA-N 309.373 2.614 0 40 DFAB O=C(O)[C@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 263469547 HHGZUVGVIAYIOY-NSHDSACASA-N 317.370 2.749 0 40 DFAB Cc1cn(C(C)(C)C(=O)NC[C@@H](C)Oc2cccc(F)c2)cn1 585141275 RZAYHPXEMUZDQD-CYBMUJFWSA-N 319.380 2.649 0 40 DFAB Cc1cccc(C)c1OC1CCN(C(=O)c2cnsn2)CC1 71819882 XWOFZZVRCSWBFU-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB O=C(NCCCOCC1CC1)Nc1ccccc1-n1cccn1 48151905 SSMMAQROHSRXLO-UHFFFAOYSA-N 314.389 2.811 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1(C)C 74223275 KWLCCAHEDVDRDJ-PXTQAZKISA-N 309.410 2.855 0 40 DFAB C[C@@H](C(=O)OCCCc1cccc2ccccc12)S(C)(=O)=O 77109965 BXLGXIVHQIMHCA-ZDUSSCGKSA-N 320.410 2.749 0 40 DFAB CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)c1cc(F)ccc1F 96419026 JQGUXTWZVXITPE-CQSZACIVSA-N 306.312 2.843 0 40 DFAB O=C(O)c1cc(Br)cc(C(=O)O)c1Br 141426667 MCBAPDGFMNMXOL-UHFFFAOYSA-N 323.924 2.608 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(F)cc2)c1 5609542 LOXPXSWHDNUFLJ-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB O=c1[nH]c2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 13655621 VLUPLKNNDPXGTJ-UHFFFAOYSA-N 312.354 2.771 0 40 DFAB Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1 152520597 FUBQSFFQUXJBRQ-QGZVFWFLSA-N 316.445 2.790 0 40 DFAB CC(C)/C=C/[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 1640773 PZSSHNWVJGSMGY-JWUWVAEESA-N 321.461 2.757 0 40 DFAB O=S(=O)(NCc1ccc(F)cc1)c1cccc2cnccc12 12227647 QWCIEZZJNMTJAS-UHFFFAOYSA-N 316.357 2.852 0 40 DFAB NC(=O)c1ccsc1NC(=O)Cc1ccc(Cl)s1 10061092 YZTSITJVHHCYLW-UHFFFAOYSA-N 300.792 2.743 0 40 DFAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCc1ccco1 11693132 VLFCVFFKCLXDAJ-UHFFFAOYSA-N 300.289 2.933 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@H]4CCCC[C@H]4C3)C2=O)cc1 15084239 DWFZRYZAJWLOET-UXLLHSPISA-N 312.413 2.749 0 40 DFAB CCOc1ccc(NC(=O)N2CC(Oc3nccs3)C2)cc1 208032228 PIJVJQCPDRHHIL-UHFFFAOYSA-N 319.386 2.837 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575614270 YCUCSMVPNYOUMH-CYBMUJFWSA-N 317.776 2.814 0 40 DFAB O=C(c1cnc2ccccc2n1)N1CCOc2ccc(F)cc2C1 347765485 KLUMOBUGBXTAAH-UHFFFAOYSA-N 323.327 2.804 0 40 DFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F 28727064 BGWBNUFYBIMZRP-LBPRGKRZSA-N 322.405 2.666 0 40 DFAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2ccccc2Cl)n1 40494396 VNNBVGQLMSLUTD-SNVBAGLBSA-N 322.796 2.917 0 40 DFAB CN(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1 22418726 GNDCPTZQUWGKFO-UHFFFAOYSA-N 309.325 2.506 0 40 DFAB Oc1cccc(-n2nnnc2SCc2ccccc2F)c1 551372 ZZNVPRZEYHMDHX-UHFFFAOYSA-N 302.334 2.799 0 40 DFAB Cc1cc(C)c(C(=O)OCc2cc(-c3ccccc3)[nH]n2)c(=O)[nH]1 97113088 DMHSCGKENNBNHA-UHFFFAOYSA-N 323.352 2.739 0 40 DFAB Cc1cc([C@@H](C)NC(=O)NCCC2(C)OCCO2)cc(C)c1F 97115803 YFSQRBYVMNSXOZ-CYBMUJFWSA-N 324.396 2.956 0 40 DFAB CCCN(CC(F)F)S(=O)(=O)c1cnc(Cl)c(C)c1 78771243 WRZWZOWYPUTTHK-UHFFFAOYSA-N 312.769 2.709 0 40 DFAB COc1cccc(NC(=O)N2CC[C@H](CN(C)CC3CC3)C2)c1 72731565 OLGXTVVSROAPCX-OAHLLOKOSA-N 317.433 2.891 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)COC3)no1 78881255 FZQVDGPZXACZSO-CQSZACIVSA-N 313.357 2.640 0 40 DFAB O=C1O[C@@H](C(Cl)(Cl)Cl)O[C@H]1C(Cl)(Cl)Cl 1670662 MURYNVIRLILSCR-GPKNORDASA-N 322.786 2.995 0 40 DFAB CCS[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nn(C)c1C 79000949 NHHQUXSHQSUDNU-LSDHHAIUSA-N 309.479 2.760 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1NCc1nnc(C(C)C)o1 79108085 ZTSGRQMYMMTKCV-UHFFFAOYSA-N 302.378 2.815 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)s1 79108555 NHPWTZQFOJJXFV-UHFFFAOYSA-N 320.399 2.642 0 40 DFAB COc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)c1 42677331 JWFGQUVKFPPGFJ-INIZCTEOSA-N 324.446 2.563 0 40 DFAB C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCO1 97111687 TXJBTVNBEUQMPO-RNCFNFMXSA-N 300.761 2.575 0 40 DFAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)CCC2 7495398 SZFIUYBGTDKMAL-UHFFFAOYSA-N 310.378 2.830 0 40 DFAB C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1F 1381883 ARODBLBARKWDRC-SECBINFHSA-N 302.280 2.952 0 40 DFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC=CCC2)c1 25054041 LHCMMLGYYNNOBU-CHWSQXEVSA-N 303.358 2.922 0 40 DFAB O=S(=O)(c1cccnc1)N(CCC(F)(F)F)C1CCC1 84425178 WHOFFAYPSJAENB-UHFFFAOYSA-N 308.325 2.577 0 40 DFAB O[C@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1 25165055 RIVCGQUOLXOMIL-AWEZNQCLSA-N 306.369 2.653 0 40 DFAB COc1cccc(N2CCN(Cc3c(C)noc3C)CC2)c1 57290243 QLLRQOZEUUYRCG-UHFFFAOYSA-N 301.390 2.622 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccccc1F 9823490 NAXWNVCRVHZMSK-HNNXBMFYSA-N 313.332 2.535 0 40 DFAB Fc1cccc(CN2CCC3(CC2)CCN([C@H]2CCOC2)C3)c1 107190969 PMMWUCMUDDRCDZ-SFHVURJKSA-N 318.436 2.903 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1nc(-c2ccc[nH]2)cs1 57441633 UQDAKLHSXDRDEX-SNVBAGLBSA-N 309.391 2.518 0 40 DFAB COC(=O)[C@@H](N)Cc1c[nH]c2cccc(OCc3ccccc3)c12 44327739 OUISLLGQNIASNL-HNNXBMFYSA-N 324.380 2.790 0 40 DFAB CC1CCC(N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 57529813 HIRMDOGWZAFUOB-UHFFFAOYSA-N 302.374 2.668 0 40 DFAB O=C(NCc1ccc(O)cc1)[C@H]1CCCN1Cc1ccccc1 84535976 KKVHJNKRIBWTPA-GOSISDBHSA-N 310.397 2.673 0 40 DFAB c1ccc(-c2nccc(NC3CCN([C@H]4CCOC4)CC3)n2)cc1 84564908 OBWUPPKLKREAAT-KRWDZBQOSA-N 324.428 2.809 0 40 DFAB Cc1ccc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cc1O 12680984 ZOOGPDNTCJYZFO-INIZCTEOSA-N 313.353 2.687 0 40 DFAB O=S(=O)(c1cccc(F)c1)N(Cc1cccnc1)C1CC1 57986258 XZVRRHJHHDXXNB-UHFFFAOYSA-N 306.362 2.574 0 40 DFAB CCN(CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100178157 VTXBOHJYLGVMGC-CALCHBBNSA-N 320.433 2.538 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)no1 44896917 MHGMCBBMTWAPGT-LBPRGKRZSA-N 315.373 2.972 0 40 DFAB c1cc(-c2nc(CN3CCS[C@H]4COCC[C@@H]43)no2)cs1 84618548 TVNXGPWXYYYRPN-RYUDHWBXSA-N 323.443 2.504 0 40 DFAB CC(=O)NCC1CCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 48352768 SIJGANHZFBTQDG-HZPDHXFCSA-N 306.450 2.600 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cn1 46345675 JCVBHZFASVGQEF-OAHLLOKOSA-N 318.446 2.554 0 40 DFAB COc1ccc2c(c1)CCN2C(=O)c1ccc(C(N)=S)cc1 60481974 PGLHOXQWKWWMLV-UHFFFAOYSA-N 312.394 2.532 0 40 DFAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(C)nn3C)nc2c1 9114331 RAMCDGUQHFYECM-UHFFFAOYSA-N 315.402 2.644 0 40 DFAB COC(=O)c1ccc(CNC(=O)C2CCCCC2)nc1C1CC1 96002093 AHKWCIADMAWMQX-UHFFFAOYSA-N 316.401 2.942 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccccn1)c1ccc(Cl)cc1 14095704 OIDNYNBSLUMITA-AWEZNQCLSA-N 318.760 2.769 0 40 DFAB Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 5388171 DHLOALYGDOWYPB-UHFFFAOYSA-N 319.364 2.857 0 40 DFAB COc1ccc2nc(NC(=O)N[C@H](C)[C@H]3CCCO3)sc2c1 65607970 HGTMMAIOHCMZHB-BXKDBHETSA-N 321.402 2.994 0 40 DFAB CC(=O)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 6509645 NLLNTKHBMPFXFK-UHFFFAOYSA-N 314.410 2.719 0 40 DFAB CCOc1ncccc1C(=O)NCCOc1ccc(C)cc1 6548489 QDPIMTFJKJUMOD-UHFFFAOYSA-N 300.358 2.598 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)Oc1ccccc1 409184939 YZLAKQKOUYIGEV-DZGCQCFKSA-N 304.390 2.812 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 6640090 QEWMHKYHEPSISS-XPUUQOCRSA-N 303.145 2.526 0 40 DFAB Cc1ccc(-c2cc3c(N4CCOCC4)nccn3n2)c(C)c1 67285079 YKXXHMDAPBTDBU-UHFFFAOYSA-N 308.385 2.850 0 40 DFAB O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccnc(F)c1 71799502 HBJXUFCTOKIVLD-UHFFFAOYSA-N 310.288 2.636 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 96496931 BQBNHUCUHMUPLE-CYBMUJFWSA-N 322.453 2.684 0 40 DFAB Cc1nn(C)cc1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 81350291 NFFCZZQFOWVHDW-JTQLQIEISA-N 307.781 2.579 0 40 DFAB c1cn(-c2ccc(CN3CCCC[C@H]3Cn3cncn3)cc2)cn1 71876256 VNPUYMRKDIFKAD-SFHVURJKSA-N 322.416 2.519 0 40 DFAB NC(=O)c1ccc(COC(=O)c2ccc3ccccc3n2)cc1 16743478 IWIPLWSVFNZPHS-UHFFFAOYSA-N 306.321 2.691 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)c2sc(C)nc2C)c1 70019716 ZZSCHXSRGBAOFV-CYBMUJFWSA-N 304.419 2.570 0 40 DFAB COc1ccc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 69351923 OLBHUPVRLLIHNA-LBPRGKRZSA-N 312.369 2.877 0 40 DFAB C[C@H](SC1=NCCS1)C(=O)Nc1ccc(Cl)cn1 8329376 BSCKNYSVMJGELY-ZETCQYMHSA-N 301.824 2.898 0 40 DFAB CCCc1noc2ncc(C(=O)N3CCO[C@H]4CCC[C@H]43)cc12 71827085 WKFSDNMHPBOSJO-CABCVRRESA-N 315.373 2.569 0 40 DFAB CC1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 17729153 GXBTYBXVXAEZQO-AWEZNQCLSA-N 306.793 2.704 0 40 DFAB COCCNC(=S)N(Cc1c(C)noc1C)c1ccccc1 8684932 BJVFDUIGIZZHPX-UHFFFAOYSA-N 319.430 2.819 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)C[C@H](C)n2cccc2)C1 69870777 KUBNMECULCXCML-HOCLYGCPSA-N 300.406 2.808 0 40 DFAB O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1cn[nH]n1 69848963 PJTIAAUCVSECER-UHFFFAOYSA-N 323.143 2.754 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69919542 PAFIATGINOEJOV-INIZCTEOSA-N 308.385 2.702 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 72235649 CIHXMURJWFVGEN-AWEZNQCLSA-N 323.400 2.854 0 40 DFAB COCCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 72288394 SHVZYIOKKBFLKI-MSOLQXFVSA-N 316.445 2.679 0 40 DFAB CC(C)(C)NC(=O)NCCSc1nncc2ccccc12 95452326 HPXRZBRWRYZQTQ-UHFFFAOYSA-N 304.419 2.820 0 40 DFAB COc1c(C)cnc(CNC(=O)c2c(C)n[nH]c2C(C)C)c1C 95449212 ZMIWMWXPEUBCCP-UHFFFAOYSA-N 316.405 2.792 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CN(C)CC[C@@H]32)c1 95467108 NKSKOKPMHPDENP-KMFMINBZSA-N 317.433 2.952 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cc1 95977584 RKIUAQBPIOQJHU-UHFFFAOYSA-N 315.354 2.846 0 40 DFAB COC(=O)N1CCC(N[C@H]2CSCc3ccccc32)CC1 95967439 YILCKDODJWBCCY-HNNXBMFYSA-N 306.431 2.795 0 40 DFAB CN(CCc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 89701557 PNDJDIGYPPFVOI-UHFFFAOYSA-N 306.369 2.582 0 40 DFAB O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCN(C2CC2)CC1 89813432 UCVGQQFAHKGZHM-GJZGRUSLSA-N 304.821 2.750 0 40 DFAB O=C(NC1CCCCC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 89818438 UYWOCCPDWWUVLH-CQSZACIVSA-N 307.438 2.552 0 40 DFAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)c3ccco3)cc12 76082751 DMCVNBNZEMYTSR-AWEZNQCLSA-N 302.305 2.672 0 40 DFAB CCOC(=O)C1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 73846791 VAZIVHIONLLITJ-JSGCOSHPSA-N 319.376 2.873 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)Oc1ccccc1 408736520 CELKDBLEZIDTGI-OAHLLOKOSA-N 311.341 2.684 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(C)nn1C 187530881 DFMNNLVJSRDINO-UHFFFAOYSA-N 315.417 2.796 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@@]1(O)CCCc2occc21 1565523175 IIIFBOHBXRTVSA-JFDDCEBESA-N 303.383 2.695 0 40 DFAB Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccncc1 31868061 MTCNXNUFBXMPJL-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c1cnn2C 71195545 ZPMYZOQYUHRRDI-MRXNPFEDSA-N 322.412 2.877 0 40 DFAB Cc1sc2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c2c1C 46438528 NMJNMOGRIHDHRO-UHFFFAOYSA-N 300.339 2.967 0 40 DFAB CCOc1cccc(CNC(=O)c2ccc(-n3cccn3)nc2)c1 44641206 BDJOVRXXHPNVMR-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB Cc1ncc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)s1 77820594 BRUMUVNRGIKZMB-UHFFFAOYSA-N 323.805 2.668 0 40 DFAB CCOc1ccc(CN2C[C@@H]3CCCN3C[C@H]2C)cc1OC 72324631 FRBLNVBKHLGKHH-ZBFHGGJFSA-N 304.434 2.762 0 40 DFAB COc1cc(Cl)nc(NC(=S)NCc2ccc(C)cc2)n1 225946432 CLIQTSQXHOZVFK-UHFFFAOYSA-N 322.821 2.934 0 40 DFAB CN1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 49155485 QULOSBJSZVWKIH-HNNXBMFYSA-N 307.357 2.960 0 40 DFAB biogenic,in-vitro O=C(COc1ccc2c(c1)CCCC2)NCCCN1CCCC1 225709036 GCYDCOCVXONQKZ-UHFFFAOYSA-N 316.445 2.546 0 40 DFAB CCOC(=O)c1noc(Cc2ccccc2Br)n1 40448019 AHFAPNTUKUAHRX-UHFFFAOYSA-N 311.135 2.600 0 40 DFAB CC(C)(C)n1nccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 190585176 FHQWHGMEOCPIQL-YUTCNCBUSA-N 318.421 2.717 0 40 DFAB C[C@H]1CN(CC(=O)Nc2cccnc2Cl)c2ccccc2O1 69631793 HXXCHYXBQAMGOH-NSHDSACASA-N 317.776 2.961 0 40 DFAB Cc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)OCCO4)n2c1 223147937 OUEMGBMBYYVDIK-UHFFFAOYSA-N 323.352 2.975 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccccc2CO)C1 228908857 IVGMPIOAWPXSCE-CQSZACIVSA-N 320.433 2.920 0 40 DFAB CC(C)N(CC(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 83318394 RSLRWQQPIWGGFH-UHFFFAOYSA-N 314.426 2.617 0 40 DFAB CCCCNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 227159554 ZLJMJCZCEQWBPV-UHFFFAOYSA-N 301.390 2.946 0 40 DFAB COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(C)c2nccs2)c1 190960432 DMXPPXSIECXYSD-YPMHNXCESA-N 318.398 2.927 0 40 DFAB CCNC(=O)c1sc(=S)n(Cc2ccc(OC)cc2)c1N 94992848 KYHGCXGUSHPEIO-UHFFFAOYSA-N 323.443 2.668 0 40 DFAB Cn1nnc(-c2cccc(NC(=O)c3ccc4[nH]ccc4c3)c2)n1 95480281 BQHPCLAKKPVYCU-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB c1cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)co1 96208014 NQZRSHVQIBLMQE-INIZCTEOSA-N 301.390 2.535 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)n1 257270083 MSRSBHDAUARINC-LLVKDONJSA-N 322.796 2.698 0 40 DFAB C[C@H]1c2ccsc2CCN1S(=O)(=O)CC[C@H]1CCCO1 252582029 ZCZXIUAFZVFZJQ-NWDGAFQWSA-N 315.460 2.566 0 40 DFAB O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 252581678 LMZJUDYRMJDWPU-GZBLMMOJSA-N 306.793 2.815 0 40 DFAB Cc1cnc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)cn1 257315614 VCDMGAONGVBPQH-UHFFFAOYSA-N 316.430 2.744 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C)c1C 69774407 HEBUTMANXPKRRX-CQSZACIVSA-N 306.431 2.799 0 40 DFAB O=C1C[C@]2(CCN(C(=O)/C=C/c3ccco3)C2)Oc2ccccc21 96025568 PGMGOYUKQVINOD-UCFODXPJSA-N 323.348 2.929 0 40 DFAB CO[C@@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Cc1ccccc1 585278327 CBLQOEBBBWODEB-QZTJIDSGSA-N 310.397 2.801 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@H]2c2ccncc2)c(C)c1Cl 65540547 UKMLSYVEFDUXCQ-AWEZNQCLSA-N 318.808 2.912 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 69350263 WQSRTJAXDJKEGI-MRXNPFEDSA-N 312.369 2.509 0 40 DFAB CSCC[C@@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 75091967 AXBAPJOCECFRAK-SNVBAGLBSA-N 304.419 2.652 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 76046599 BUTLWLXSEMGZKN-SNVBAGLBSA-N 321.406 2.584 0 40 DFAB O=C1CCCN1CCCNCc1sccc1Br 97378262 CYOUCPNXYYLNSV-UHFFFAOYSA-N 317.252 2.613 0 40 DFAB O[C@@H]1CCCN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)C1 12668212 OCNRVMCDQJJKCE-OAHLLOKOSA-N 322.368 2.760 0 40 DFAB CCOc1ccccc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1 19520207 YHRAOBHLLCHUCW-NVXWUHKLSA-N 316.401 2.729 0 40 DFAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(C2CC2)ncn1 1888897245 YRQWSYVMBRTXAC-UHFFFAOYSA-N 305.341 2.996 0 40 DFAB CN(C)c1ccc(CCNC(=O)COc2ccccc2F)cc1 11693626 HQYXILFIIJHDPM-UHFFFAOYSA-N 316.376 2.629 0 40 DFAB CCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2CCOC 100873235 GGBQOVRCXCZMNB-MSUUIHNZSA-N 320.414 2.585 0 40 DFAB Cc1cc2ncc(NC(=O)c3ccc(Br)o3)cn2n1 206737809 XFZJABSSDKRKEQ-UHFFFAOYSA-N 321.134 2.646 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCOc2ccc(F)cc2C1 347848368 PGTJHMJVSMOCPV-UHFFFAOYSA-N 315.300 2.589 0 40 DFAB Cc1nc(N2CCN(c3nc(C(C)C)no3)CC2)sc1C 96484035 PXSNUHZVCMJFCW-UHFFFAOYSA-N 307.423 2.593 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)cc1F)C(=O)O 40710588 CDTXFWANMGZCPG-NSHDSACASA-N 317.744 3.000 0 40 DFAB CC(C)(C)OCCN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O 101486465 BBMFEIIFJHDGMH-ZDUSSCGKSA-N 307.365 2.558 0 40 DFAB O=C1[C@H]2ON=C(/C=C/c3ccccc3)[C@H]2C(=O)N1c1ccccc1 101510064 XNLMCXIBUGXMOR-SFDDJJRUSA-N 318.332 2.644 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CNc1cccc(Cl)c1 101728845 AMGXZDFNQKJLSI-TXFQPVFDSA-N 304.777 2.741 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 300238 MNLBFFYRMLNQFQ-NSHDSACASA-N 316.307 2.956 0 40 DFAB CC(C)[C@H](C)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21872419 QPOUGTMKGHLEFV-AWEZNQCLSA-N 315.417 2.564 0 40 DFAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc3c(c2)OCCO3)c1 12274191 WAZUBRFZMBJRMS-UHFFFAOYSA-N 313.309 2.717 0 40 DFAB CN(C)Cc1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1 47460268 MXVUNCBVPQUPFL-UHFFFAOYSA-N 321.380 2.842 0 40 DFAB CN1C(=O)N(c2ccccc2)[C@@H](Nc2nncs2)C1(C)C 1272804 YOYACJRHNNFLOG-LLVKDONJSA-N 303.391 2.627 0 40 DFAB CC(C)[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381125 RPPQDHJCVZGLIU-CYBMUJFWSA-N 307.371 2.839 0 40 DFAB COCC(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 1006569 SOAFIRUMYUKAAY-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB COc1ccc(-c2csc(N3CCC[C@H](C(N)=O)C3)n2)cc1 1013297 QPPHIUHBDFYPRS-LBPRGKRZSA-N 317.414 2.520 0 40 DFAB COc1cc(CCC(=O)Nc2ccc(C(F)(F)F)nc2)on1 79486223 XDDHVMCCCFSVBD-UHFFFAOYSA-N 315.251 2.668 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCc1cnn(C)c1 79585844 WPKVCDYUAMFFGD-XIKOKIGWSA-N 315.392 2.932 0 40 DFAB O=C1COc2c(cccc2C(=O)N2CC[C@H](c3ccccc3)C2)N1 104341771 SHIZRMSYQDQVLF-AWEZNQCLSA-N 322.364 2.647 0 40 DFAB Cc1cc(CN[C@H]2CCCCNC2=O)cc(C)c1OC(F)F 54174296 TVCONJRXTDPDLT-ZDUSSCGKSA-N 312.360 2.663 0 40 DFAB Cc1cccc(COc2cccc(C(=O)Nc3nc[nH]n3)c2)c1 23140973 APBUBDAPCIESBE-UHFFFAOYSA-N 308.341 2.944 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)N1C(=O)c2cccc3cccc(c23)C1=O 4159797 ICNHBNILWHCWKK-LLVKDONJSA-N 324.380 2.739 0 40 DFAB CCCNC(=O)c1ccccc1NC(=O)Cc1csc(C)n1 23689385 SEJXWWSZSSMJAO-UHFFFAOYSA-N 317.414 2.773 0 40 DFAB COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccn1 42621663 PWCCNSGAMMBHLA-CABCVRRESA-N 300.333 2.649 0 40 DFAB CCOCCCNC(=O)COc1ccc(Cl)cc1Cl 6387170 WRFTYLSAIFJLCS-UHFFFAOYSA-N 306.189 2.915 0 40 DFAB CCCNC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 6629624 IGYKVUKVONVXIL-UHFFFAOYSA-N 324.837 2.847 0 40 DFAB CCCSc1nnc(CN2CCOCC2)n1-c1ccccc1 6629713 ATONUWNFKHEOGT-UHFFFAOYSA-N 318.446 2.602 0 40 DFAB Fc1cccnc1O[C@@H]1[C@H]2CC[C@H]1N(Cc1ccco1)CCO2 107721875 YSQADFKIWHWAGA-OAGGEKHMSA-N 318.348 2.625 0 40 DFAB NC(=O)Cc1csc(NC(=O)CCCC2CCCCC2)n1 25407210 LCZIUDIDWZGUBA-UHFFFAOYSA-N 309.435 2.860 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)on1 25716663 LRSFOEDTBAKWHQ-ZDUSSCGKSA-N 314.341 2.732 0 40 DFAB CN(Cc1cccnc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 97163481 QRMWLLIDNQUTST-UHFFFAOYSA-N 322.372 2.541 0 40 DFAB C[C@H](NC(=S)NC1CCN(C2CC2)CC1)c1ccccc1 44072650 CGALFGRRFRRZCK-ZDUSSCGKSA-N 303.475 2.839 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3cccc(C)c3)C2=O)c1 101275884 SEUKXVYFTYQUBZ-INIZCTEOSA-N 310.353 2.748 0 40 DFAB COc1cccc(-c2nc(COC(=O)c3cc[nH]n3)cs2)c1 48252784 GBONKZBJITYVNF-UHFFFAOYSA-N 315.354 2.899 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1ccc(C)s1 100216164 WOCCFXDEZSUJFP-CHWSQXEVSA-N 315.442 2.992 0 40 DFAB CCOc1ccccc1N[C@H]1CC(=O)N(c2ccccc2)C1=O 101275064 OCIKVITYXLFHPA-HNNXBMFYSA-N 310.353 2.829 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2cnn(Cc3ccncc3)c2)c1 58228904 ITACOJQIISPFQZ-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@@H]1CCCO1 27895802 UFNDBWCDHKXIHC-GWCFXTLKSA-N 320.414 2.938 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1ccc(F)cc1Br 58343281 YCDXYXVFYDVQQU-UHFFFAOYSA-N 311.110 2.529 0 40 DFAB O=C(Cc1ccccc1F)NCCc1ccn(-c2ccccc2)n1 58342467 IGZJHDHUVSQQQD-UHFFFAOYSA-N 323.371 2.913 0 40 DFAB COc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cn1 28095084 VNVVJFXGUNBLSY-UHFFFAOYSA-N 321.340 2.876 0 40 DFAB CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)C1 58403789 ADMHPWAYYSDDJG-CYBMUJFWSA-N 324.446 2.710 0 40 DFAB CNc1snc(C)c1C(=O)NC[C@@H](C)N(C)c1ccccc1 58441328 DVWBDYOYFWMORO-LLVKDONJSA-N 318.446 2.748 0 40 DFAB CC1(C)CN(C(=O)Nc2cccc3[nH]ccc23)CC[S@@]1=O 84673648 SSAUMBXIMMPPKE-OAQYLSRUSA-N 305.403 2.543 0 40 DFAB OC1(c2cccnc2)[C@H]2CCC[C@H]1CN(Cc1ccncc1)C2 100728392 VFXSTQQWCCDMFU-ROUUACIJSA-N 309.413 2.596 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccccc2O)CC1 48356414 PARDZBRNWRKBKB-GFCCVEGCSA-N 314.389 2.536 0 40 DFAB C[C@H](NC(=O)CCc1ccccc1Cl)C(=O)NC1CCCC1 48310382 TUKRHMTZJUDNQG-LBPRGKRZSA-N 322.836 2.836 0 40 DFAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1CC1CC1 46149406 KZMQCTRGUUCXOK-KGLIPLIRSA-N 318.442 2.670 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1cnc3c(C)cccn13)CCC2 95402067 GSSIDYWPWWJXQD-HNNXBMFYSA-N 309.417 2.815 0 40 DFAB COc1ccc(CNC[C@H](O)c2ccccc2)c(OC)c1OC 22076184 USYGONQPHLKBHN-HNNXBMFYSA-N 317.385 2.536 0 40 DFAB COc1ccc(COc2c(OC)cccc2C(N)=O)cc1F 12819960 HOCHSBJVMBESAO-UHFFFAOYSA-N 305.305 2.521 0 40 DFAB Cc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 113935950 OOHFFIFBANNVFA-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB CC(=O)N[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)C(C)C 12942833 IEOBYOGZQAPOAT-AWEZNQCLSA-N 314.788 2.598 0 40 DFAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1 9010375 ZQSPCOOHJGNOAA-GFCCVEGCSA-N 321.332 2.956 0 40 DFAB COc1cc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc(OC)c1OC 4026643 HAXNJCFMCFBBSO-OWQGQXMQSA-N 321.417 2.668 0 40 DFAB biogenic Cc1ccc2cc(CN(C)C(=O)c3cccnc3)c(=O)[nH]c2c1 5149597 YBOFYXXWXITAET-UHFFFAOYSA-N 307.353 2.504 0 40 DFAB CC[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 4384942 FUACRKXDYQHDDK-GFCCVEGCSA-N 304.375 2.517 0 40 DFAB CCOc1ncccc1C(=O)NC[C@H](c1ccccc1)N(C)C 14093153 KHPKXOBKWADBBN-MRXNPFEDSA-N 313.401 2.513 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(Cl)s1 65520753 KVSFOEAPGSNARW-UWVGGRQHSA-N 303.811 2.602 0 40 DFAB CCc1ccccc1NC(=O)c1ccc(N2CCOCC2)nc1 14198332 QWLXARXHEUXRJN-UHFFFAOYSA-N 311.385 2.733 0 40 DFAB COc1cccc(N2CCN(CCCc3ccncc3)CC2)c1 96012912 YFNPJVCEBJVNAD-UHFFFAOYSA-N 311.429 2.845 0 40 DFAB CNC(=O)Nc1cccc(NC(=O)c2cnn(CC(C)C)c2)c1 96005982 QFQITDHBKLTAQJ-UHFFFAOYSA-N 315.377 2.543 0 40 DFAB COc1cc(/C=C2\N=C(C)OC2=O)cc(Cl)c1OC(C)=O 4653924 SEKJLTFPFVDLAG-WZUFQYTHSA-N 309.705 2.590 0 40 DFAB Cn1cnnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 5560795 ZQLOMSBEWHKKCS-CQSZACIVSA-N 316.430 2.661 0 40 DFAB O[C@H](COc1ccccc1)CN1C2=NCCCN2c2ccccc21 4797487 CJGGBILLAFMHNS-HNNXBMFYSA-N 323.396 2.513 0 40 DFAB c1ccc([C@H]2C[C@@H](c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 6757012 JAGBPBVAZCOIJK-UONOGXRCSA-N 321.340 2.548 0 40 DFAB CCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 6823141 IQJPWUVCEOVPBW-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)NC(C)(C)C 7191463 FVJKMTPTQVEXKD-CYBMUJFWSA-N 314.385 2.937 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCCc2ccccc21 9485639 PPBSDIONKMKQQY-CQSZACIVSA-N 304.390 2.737 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2N)c1C 7374359 HQHHLSICQASUOB-UHFFFAOYSA-N 316.332 2.820 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cc(C)n(C3CC3)c2C)no1 7575447 BUPOUPNHXGXLPB-UHFFFAOYSA-N 317.345 2.532 0 40 DFAB CC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)n1 7734997 BJPOWFBWDHAADO-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB Cc1cccc2nc(CNC(=O)[C@@H]3COc4ccccc4C3)cn12 68571819 CTNPIIYHQKPXIB-HNNXBMFYSA-N 321.380 2.510 0 40 DFAB Cc1ccc2nc(CN3CCC[C@H]3c3cccn3C)cc(=O)n2c1 7854331 HIGSPNBNYDZHGE-KRWDZBQOSA-N 322.412 2.679 0 40 DFAB Cc1cccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1O 70040962 KVAQCZNALIGORV-ZDUSSCGKSA-N 313.353 2.613 0 40 DFAB Cc1cc(C(=O)NCCCNC(=O)c2cccs2)c(C)s1 69462053 VNVNRAQQJWUICS-UHFFFAOYSA-N 322.455 2.976 0 40 DFAB CC[C@H]1CCCN(C(C)(C)CNC(=O)NCc2cccnc2)C1 71897547 UBJMKBBQPNQEKR-HNNXBMFYSA-N 318.465 2.781 0 40 DFAB Cc1cccc(SCC(=O)Nc2nnc([C@@H]3CCCO3)o2)c1 71803666 BMOOLZDSUNJZGO-LBPRGKRZSA-N 319.386 2.960 0 40 DFAB COc1ccc(C(=O)N(C)CCOc2ccccc2)c(O)c1 18072727 BAVQAQFJTUVBTL-UHFFFAOYSA-N 301.342 2.552 0 40 DFAB O=C(CSc1ccccc1F)N[C@@H]1CCCC[C@@H]1C(=O)O 70525060 GHILMJZNRSRYPU-CMPLNLGQSA-N 311.378 2.677 0 40 DFAB O[C@@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccccc1F 69981954 ADMCBALGLVCVAN-PBHICJAKSA-N 303.381 2.610 0 40 DFAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H]1Cn1cccn1 69951511 YGRMAWYBXZXDHU-WMZOPIPTSA-N 309.413 2.994 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)Nc1nnc(C(F)F)s1 97056535 FCEJWHWRWCOCOS-ZETCQYMHSA-N 306.338 2.556 0 40 DFAB C[C@@H]1CN(c2ccc(C(=O)OCc3ccoc3)cn2)C[C@@H](C)O1 96500222 XULHDCNWQQNJBS-CHWSQXEVSA-N 316.357 2.645 0 40 DFAB CC(C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9690079 BIHUAAIDNFBXPP-UHFFFAOYSA-N 313.309 2.641 0 40 DFAB COCCOc1ccc(NC(=O)C(C)(C)OC)cc1Cl 170964007 YRAHEALJSMMBSB-UHFFFAOYSA-N 301.770 2.729 0 40 DFAB CC(C)CC[C@@](C)(O)CNc1ncc(Br)cn1 95960976 YIDUCCPUSJWQKX-GFCCVEGCSA-N 302.216 2.838 0 40 DFAB Cc1ccc(C)n1-c1sccc1C(=O)NC[C@@H](C)[S@](C)=O 95973810 KHONEKQGMBGUGD-XUSGNXJCSA-N 324.471 2.652 0 40 DFAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCn1ccnc1 20110415 RKBFUDRCYNGZNY-KRWDZBQOSA-N 315.417 2.864 0 40 DFAB Cc1cccc(-c2ccc(C(=O)NCc3ccoc3)c(=O)[nH]2)c1 75119867 FNUJRSIRUCUCEM-UHFFFAOYSA-N 308.337 2.873 0 40 DFAB CCCC1(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC1 89949887 SQYTVHJOMUTUEU-OAHLLOKOSA-N 306.450 2.722 0 40 DFAB CCc1ccccc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O 22461376 XWPGFRHLEPPNRI-AWEZNQCLSA-N 312.369 2.511 0 40 DFAB Cc1cnc(NC(=O)COC(=O)c2ccccc2Cl)s1 409198730 KKSRMQMMJDRFHZ-UHFFFAOYSA-N 310.762 2.900 0 40 DFAB CCOc1cccc(CNC(=O)[C@H]2COc3ccccc3O2)c1 30755350 QZGLQNDERJPXBA-QGZVFWFLSA-N 313.353 2.542 0 40 DFAB CCOP(=O)(OCC)[C@H](N)Cc1ccc(OC)c(OC)c1 73388888 VNEZKSFOJIRMSN-AWEZNQCLSA-N 317.322 2.797 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)no1 33936552 LEPHACLGRCVKFM-GXTWGEPZSA-N 313.357 2.531 0 40 DFAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)Cc2ccccc2)n1 72388502 CCXOQTRGLOZFKX-LJQANCHMSA-N 324.428 2.907 0 40 DFAB C[C@H](c1cnccn1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 72203842 KMIPOVWNURJNBE-CYBMUJFWSA-N 320.437 2.869 0 40 DFAB CSc1ncccc1C(=O)NC[C@@](C)(O)c1cccs1 77181677 SVTQPJWACKAHNM-CQSZACIVSA-N 308.428 2.503 0 40 DFAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(C)=O)C2)c1 72358430 VXQOAQUAZJUCQC-HNNXBMFYSA-N 311.385 2.878 0 40 DFAB CC(C)OCCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 79360959 SOQGCCJKLMGBNG-FQEVSTJZSA-N 317.838 2.972 0 40 DFAB Cc1nccnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 72203357 ODCZJDNTTMNTGI-UHFFFAOYSA-N 306.410 2.526 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1c1ncccc1Cl 134900046 KDJSFCQNNZCBAJ-CYBMUJFWSA-N 305.765 2.613 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(N2CCCC2)c(F)c1 69655606 FHXRAZXMLSSDHV-AWEZNQCLSA-N 320.408 2.925 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 41122278 IXPOTPFHFSCZBU-ZDUSSCGKSA-N 319.792 2.980 0 40 DFAB CCOC[C@H](OCC)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 199783761 BUGHHOWKGXSPMY-KRWDZBQOSA-N 316.401 2.783 0 40 DFAB CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)CC2)c(OC)c1 529186041 RZSAHHPJLPAUGT-GFCCVEGCSA-N 319.405 2.709 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2Cl)CN1 42783136 JPIDVURTNFMJSY-AAEUAGOBSA-N 311.809 2.920 0 40 DFAB CC(C)CNC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 40062461 POJIQWSPHDCESP-NSHDSACASA-N 321.396 2.747 0 40 DFAB Cn1ncc(CSC[C@@H](O)C(F)(F)F)c1C(F)(F)F 191139388 JQGGJPZOXWAOPA-ZCFIWIBFSA-N 308.247 2.595 0 40 DFAB CCN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 96049593 DNMPCECJMZWQMP-GOSISDBHSA-N 306.425 2.760 0 40 DFAB CCOC(=O)c1[nH]nc(OC2CCCC2)c1Br 96509311 AXYCQKPGTYQIQZ-UHFFFAOYSA-N 303.156 2.670 0 40 DFAB CCO[C@@H]1C[C@H](NCc2ccnc(-n3ccnc3)c2)C1(C)C 96493371 RQEQJYFYRTYPTO-LSDHHAIUSA-N 300.406 2.561 0 40 DFAB CC(C)NC(=O)[C@@H](C)Sc1ncccc1Br 96411955 WAZIZASAMJPLHW-MRVPVSSYSA-N 303.225 2.849 0 40 DFAB C[C@@H]1C[C@@H]1[C@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 96462952 WZGLQQBDICZPMA-ISWURRPUSA-N 302.418 2.796 0 40 DFAB CCc1nn(C)c(CC)c1CN[C@H]1CCCc2nc(C)ncc21 97229823 PVGYFNSIGXWAJD-INIZCTEOSA-N 313.449 2.811 0 40 DFAB CC(=O)c1ccc(CNC(=O)c2cccc(F)c2F)nc1C 96486138 YEXIQBHCRJCCCK-UHFFFAOYSA-N 304.296 2.801 0 40 DFAB C[C@](NC(=O)C[C@H]1C=CCC1)(C(N)=O)c1cccc(Cl)c1 96454807 JMCVBDSSHFNCJB-MEDUHNTESA-N 306.793 2.513 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)s1 96441298 KAKSRZSUNAGCQK-UHFFFAOYSA-N 302.355 2.664 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)C1 96502878 WNJGDOTVJPIUCW-YNEHKIRRSA-N 300.468 2.606 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244422525 YUJRFLGEYBJMFP-JQWIXIFHSA-N 308.809 2.916 0 40 DFAB COc1ccccc1[C@H]1CNCCN1C(=O)c1ccsc1 257321542 WCCGZQZLNHWWMU-CQSZACIVSA-N 302.399 2.543 0 40 DFAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCCN2)o1 257267068 MFURJUNCGNAMQU-ZIAGYGMSSA-N 320.437 2.984 0 40 DFAB CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1F 257274822 NMUFBOSKGKRDKU-CJNGLKHVSA-N 306.381 2.604 0 40 DFAB Cc1ccnc([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257253350 JYNPISTUDXABDY-HNNXBMFYSA-N 318.380 2.963 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 257325836 WUPRNKXYLFAAAM-LBPRGKRZSA-N 317.824 2.562 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1c(F)cccc1F 44816219 NWCYNBVZXMBVND-JTQLQIEISA-N 305.280 2.535 0 40 DFAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)CC(C)(C)C 1775964003 NHVSJFZUZWILQV-SPWCGHHHSA-N 306.450 2.574 0 40 DFAB biogenic,in-vitro C[C@@H](CNc1ncc(C(N)=O)cc1Cl)N(C)c1ccccc1 54059352 JXSMXVBHTXHJSX-NSHDSACASA-N 318.808 2.771 0 40 DFAB O=C1N[C@H](C(=O)N[C@@H](c2cc3ccccc3o2)C2CC2)CS1 73566620 JLJJIBZAYGQOKI-SMDDNHRTSA-N 316.382 2.825 0 40 DFAB Brc1ccc(N2CCN(c3ncccn3)CC2)cc1 664325737 NGONSGYMJXFGEN-UHFFFAOYSA-N 319.206 2.566 0 40 DFAB Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1 19216665 JINYIFHTTFRSPK-WBVHZDCISA-N 320.339 2.976 0 40 DFAB Cn1nccc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 19658622 MQSWVHJYVFVROP-CQSZACIVSA-N 309.417 2.751 0 40 DFAB CCc1nnc(S/C(=C\c2ccccc2OC)C(=O)O)[nH]1 7342425 LXKRFWPHCZCAKC-FLIBITNWSA-N 305.359 2.594 0 40 DFAB COc1ccc(/C=C2\N[C@@H](c3ccccc3)OC2=O)cc1OC 1563847 FBDVKVMDOVNBFI-OOXMNIKJSA-N 311.337 2.890 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC2(CC1)CC2(F)F 650603183 CSSFONUIQMNPDR-UHFFFAOYSA-N 309.312 2.606 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)nc1 1889091464 LTIDDFZJPRMBRF-OAHLLOKOSA-N 324.432 2.558 0 40 DFAB CC(C)N1CCC2(CCCN(C(=O)c3cscn3)C2)CC1 2055785310 DPVVMJCZZYWINU-UHFFFAOYSA-N 307.463 2.870 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)n2ncnc2N1 147789 IJJFSYTXKSLUML-AWEZNQCLSA-N 316.336 2.658 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)C[C@H](O)c1ccc(Cl)cc1 40497405 YORNDUBDWPQPOK-INIZCTEOSA-N 318.804 2.604 0 40 DFAB C[C@H](Oc1ccccc1C(N)=O)C(=O)N1c2ccccc2C[C@@H]1C 21324382 GYNDUMZQDBTMGF-STQMWFEESA-N 324.380 2.531 0 40 DFAB C[C@H](NC(=O)c1nn2cccnc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102598693 QJKFDLJBQLZEKD-BJDJZHNGSA-N 318.808 2.937 0 40 DFAB Cc1ccc2oc(C(=O)NCCCOC(C)C)cc(=O)c2c1 21780109 RYIDGNBHEOJYEV-UHFFFAOYSA-N 303.358 2.646 0 40 DFAB CCOC(=O)[C@@H]1CCN(C(=O)OCC)C[C@@H]1c1ccccc1 1857794342 INJJSINTERZHQT-HUUCEWRRSA-N 305.374 2.812 0 40 DFAB CC[C@@H](C)CN(C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 78644907 LGVNUNDUAUCIQP-GFCCVEGCSA-N 324.421 2.900 0 40 DFAB CCCCNC(=O)OCn1cnc2c(SCCC)ncnc21 1657384 ONBGMWLHMNYGKS-UHFFFAOYSA-N 323.422 2.812 0 40 DFAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)Cc1cccc2cccnc12 79107521 YWBWHPQYARZESH-BBRMVZONSA-N 324.380 2.999 0 40 DFAB CSc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6700363 SADRDJJOMWZIJH-OAACRXHESA-N 303.383 2.870 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccco1 8984596 JVILDBKXLSCJSW-NSHDSACASA-N 318.760 2.716 0 40 DFAB Cc1cc(NC(=S)NC(=O)C2CC2)ccc1Br 3259347 ZCFITDNMIWOPRX-UHFFFAOYSA-N 313.220 2.981 0 40 DFAB CC(C)[C@@H](CNC(=O)c1ccncc1)N1CCc2ccccc2C1 25535860 REHQSJUKOLMZAV-LJQANCHMSA-N 323.440 2.894 0 40 DFAB C[C@@H](Cn1ccnc1)NCc1ccc(F)c(Br)c1 35275086 DFTPGAVRZAXNFW-JTQLQIEISA-N 312.186 2.963 0 40 DFAB CC[C@@](C)(NC(=O)c1c(C)oc2ccc(OC)cc12)C(=O)OC 58201736 PPYZOOPHVJUQRB-QGZVFWFLSA-N 319.357 2.821 0 40 DFAB C[C@@H](CN(C)C(=O)c1occc1COc1ccccc1)C(=O)O 95389901 CFRUBGQCWZNMHE-LBPRGKRZSA-N 317.341 2.651 0 40 DFAB CCNC(=O)NC1CCC(OC(=O)c2ccccc2F)CC1 58282362 HRPVGEWQMCUYTK-UHFFFAOYSA-N 308.353 2.613 0 40 DFAB CCn1c(C)nnc1CN1CCC[C@H]1c1cccc(OC)c1 95393598 CTHANJDNGMQQOD-INIZCTEOSA-N 300.406 2.952 0 40 DFAB O=C(Nc1ccsc1)C1CCN(C(=O)N2CCCC2)CC1 84618526 MGKDQPVRCDBTCJ-UHFFFAOYSA-N 307.419 2.614 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)[C@@H]1CCCO1 27883564 NRNNKGDGLHDXRR-DOMZBBRYSA-N 316.405 2.618 0 40 DFAB Cc1nn(C)c(Cl)c1Cn1c([C@@H](C)O)nc2ccccc21 58357820 CLQLERLQESKXGT-SNVBAGLBSA-N 304.781 2.833 0 40 DFAB Cc1cc(C)cc(C(=O)Nc2ccccc2NS(C)(=O)=O)c1 28020724 BTDCKVDBZJVBDO-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)N1CC=C(c2cncc(F)c2)CC1 95454761 XGNVSPWWZVEORV-GFCCVEGCSA-N 305.397 2.613 0 40 DFAB CC(C)(C)[C@H](NC(=O)CSc1cn[nH]n1)c1cccs1 89621679 CFJRAVZUEBQRRV-GFCCVEGCSA-N 310.448 2.862 0 40 DFAB OC1(c2cccnc2)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2 100728395 JBCQMBSZQJMCAO-IRXDYDNUSA-N 309.413 2.596 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@@H]12)c1csc(-c2ccco2)n1 60573454 XFHCDYGPJHFCND-AAEUAGOBSA-N 317.414 2.760 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCNC2=O)oc2c1ccc1ccccc12 64092141 GLJPDQMXAHIWCZ-HNNXBMFYSA-N 322.364 2.903 0 40 DFAB CCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 9208964 LKGSARFFNJLKHC-UHFFFAOYSA-N 323.352 2.968 0 40 DFAB Cc1oc(C)c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1C 64500147 CISKOEXOURPPQX-UHFFFAOYSA-N 313.357 2.648 0 40 DFAB CCC[C@H]1c2ccccc2CCN1C(=O)c1cc(C(N)=O)c[nH]1 95407975 JQHRYDFBOORTIR-INIZCTEOSA-N 311.385 2.653 0 40 DFAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)oc2c1C(=O)CC(C)(C)C2 39851842 MOEQRYZIFFBUOK-PHIMTYICSA-N 319.401 2.993 0 40 DFAB Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 49907617 OQHWHKFFXCOHTH-INIZCTEOSA-N 301.386 2.595 0 40 DFAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1 9300025 JLNZGMAVWSHNFI-UHFFFAOYSA-N 324.380 2.956 0 40 DFAB C[C@@H]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1 65529906 XZAPMOOUSUUBNK-CYBMUJFWSA-N 309.369 2.816 0 40 DFAB CCCNC(=O)COC(=O)c1cc2ccccc2cc1OC 6430523 NFGRGNMRPQFJJH-UHFFFAOYSA-N 301.342 2.531 0 40 DFAB CCOC(=O)c1cc(NC(=O)c2cccc(C)c2)c(=O)oc1C 14291668 OVLQDBMKHLAGDE-UHFFFAOYSA-N 315.325 2.686 0 40 DFAB CC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)c(C)c2)c1C 4666956 GJMLFNFJZXEAJB-UHFFFAOYSA-N 306.387 2.556 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 5631960 AUKNFNLSERKUEG-UHFFFAOYSA-N 316.284 2.637 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc2c(s1)CC[C@H](C)C2 6859408 OOTJIXAFTCKZJA-LBPRGKRZSA-N 322.474 2.860 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)cn1 71796911 WNBRJIUPOGIWHD-INIZCTEOSA-N 309.369 2.560 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2C)c1 67010518 APSQKYFRGJYPFI-CQSZACIVSA-N 318.442 2.754 0 40 DFAB CCS[C@H]1CC[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 84811860 PTEFJJGBKCGYCM-CLWVCHIJSA-N 320.458 2.618 0 40 DFAB C[C@H](NC(=O)[C@@H](C)n1ccnc1-c1ccccc1)c1cnn(C)c1 96486804 MBLFIKKQOVGFKV-UONOGXRCSA-N 323.400 2.722 0 40 DFAB O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 96404737 AFFBCRQVVOJCRE-HOTGVXAUSA-N 304.821 2.750 0 40 DFAB C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(F)cc1 7267416 WJDOCVJWJAYSAN-AWEZNQCLSA-N 300.377 2.962 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)Cc1c[nH]c2ccccc12 71890917 UWCDTGVZWAILRQ-UHFFFAOYSA-N 311.341 2.772 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 84811854 PTEFJJGBKCGYCM-XNISGKROSA-N 320.458 2.618 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1cccc(-c2nccs2)c1 71921133 WMKFPDIPSUMLHI-ZDUSSCGKSA-N 305.403 2.949 0 40 DFAB Cc1cc(CNc2cccc(CS(=O)(=O)C(C)C)c2)no1 71900484 GKHXWZJBAPZPNZ-UHFFFAOYSA-N 308.403 2.918 0 40 DFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NOCc1ccccc1 8097091 LVMKSQQRQOAMCD-UHFFFAOYSA-N 324.380 2.604 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2Cc2ccccc2)CN1 91243647 FUESOXNHAYXNFB-IRXDYDNUSA-N 311.381 2.560 0 40 DFAB COCCn1cc(Nc2ccc(-c3ccc(F)cc3)nn2)cn1 69179863 VVTHYLJGOQESIT-UHFFFAOYSA-N 313.336 2.869 0 40 DFAB Cc1ccccc1[C@H](NC(=O)N(C)C[C@@H](O)C1CC1)C1CC1 89689156 FWUTUNYWOVTBQP-IAGOWNOFSA-N 302.418 2.858 0 40 DFAB CSc1nnc(NC(=O)CSc2nc(C)c(C)o2)s1 8334000 KLJABOJZYFQMEP-UHFFFAOYSA-N 316.433 2.596 0 40 DFAB Cc1cccc([C@H](C)NC(=O)NC[C@@]2(O)CCSC2)c1C 89686419 WQRUQKKTXCZNLP-BBRMVZONSA-N 308.447 2.532 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)CCn2cc(C)cn2)cc1 69582111 QVJHZIWRBYOUMI-OAHLLOKOSA-N 315.417 2.680 0 40 DFAB CC(C)(C)OCc1cccc(CNC(=O)N2CCC[C@H](O)C2)c1 69811462 JSKNDRYMNLWOLG-INIZCTEOSA-N 320.433 2.668 0 40 DFAB Cc1c(NC(=O)NC[C@H]2CCCO2)cccc1OC(F)F 69808897 XFZCEMVERYAMNN-SNVBAGLBSA-N 300.305 2.897 0 40 DFAB O=C(NCCn1ccnn1)Nc1ccc(Oc2ccccc2)cc1 97083002 JUYAAANSGRRWKS-UHFFFAOYSA-N 323.356 2.892 0 40 DFAB COC(=O)[C@H](NCc1nc(C)no1)c1ccc2ccccc2c1 97084110 GANYKWRWNXQYFF-MRXNPFEDSA-N 311.341 2.535 0 40 DFAB CC[C@H](COc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C 97050598 SBFMDSXXQOVKBI-CQSZACIVSA-N 324.384 2.556 0 40 DFAB Cc1cccnc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 72288295 KNNHNFDLWLZQOF-CYBMUJFWSA-N 317.295 2.800 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72235142 OKPXTBMGLCOZBE-OAHLLOKOSA-N 302.353 2.511 0 40 DFAB COc1ccc(F)cc1NC(=O)N(CCO)C1CCCCC1 97113532 OQMZSSPKIACRNA-UHFFFAOYSA-N 310.369 2.993 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1ccc(F)cc1 95980141 SHUKIXYHSWXZCS-CQSZACIVSA-N 318.352 2.771 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nnn[nH]3)C2)s1 95976964 GNOGPJSQVREGFK-JTQLQIEISA-N 319.434 2.579 0 40 DFAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CCCCCC1 95964403 WLJXIHCHCMNUJV-YRVVQQKDSA-N 300.468 2.652 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 74890739 POTDFGDXZQIIHR-MELADBBJSA-N 322.478 2.973 0 40 DFAB CN(CC1CCC1)C(=O)NC[C@H](c1ccco1)N1CCCC1 89340237 PQIZHSRUKPHDBB-OAHLLOKOSA-N 305.422 2.858 0 40 DFAB C[C@H](NC(N)=O)C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 89420143 BDNIDANCTZWQOH-IXVOVUJJSA-N 315.417 2.528 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 20453611 YDPBOLKMNHQEEY-ZDUSSCGKSA-N 315.369 2.788 0 40 DFAB CC(=O)N1CN(C[C@H]2CCCO2)Cc2c1sc1c2CCCC1 20192331 AGYHPRKWVFCCKO-CYBMUJFWSA-N 320.458 2.932 0 40 DFAB O=C(O)CN(CCc1ccccc1)C(=O)c1cccc(F)c1 178937366 MNFCBHDWLAAIQT-UHFFFAOYSA-N 301.317 2.595 0 40 DFAB C[C@H](O)C1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 127883429 BABOEJPTIYYPAT-GXFFZTMASA-N 322.371 2.910 0 40 DFAB Cc1nc(N2CCCC[C@H]2CC(N)=O)c2c(C)csc2n1 128607967 NABPEQMDDRIOGI-NSHDSACASA-N 304.419 2.542 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)CSc2cccc[n+]2[O-])c1 65861553 WVOTXLHCYBIDCZ-UHFFFAOYSA-N 302.399 2.692 0 40 DFAB NCCSC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392274 XKHAYXGSNGFZRI-HNNXBMFYSA-N 308.447 2.727 0 40 DFAB CSc1ccc(OCCN2CC[C@@H](N3CCCC3)C2)cc1 75685389 DCVACORMMRDOEC-OAHLLOKOSA-N 306.475 2.957 0 40 DFAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(C)C3)ccn2)CC1 72387016 GJZVBACVMIRXGU-MRXNPFEDSA-N 301.434 2.763 0 40 DFAB O=C(Cc1ccc(F)cc1)OCC(=O)N1CCc2ccccc21 72331081 JPKQEAIZWDERRR-UHFFFAOYSA-N 313.328 2.501 0 40 DFAB O=C(Nc1cccnc1)N(CCO)[C@H]1CCCc2ccccc21 79358731 KCYVGMNCKJOJIE-KRWDZBQOSA-N 311.385 2.985 0 40 DFAB O=C(CNCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 35311458 QMIAZGMVWSUSDR-UHFFFAOYSA-N 318.760 2.797 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 32585575 JHHMYIOWMFLOEP-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB COc1ccc(CCNC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 33147198 QHKTXTBGUMWCAM-GOSISDBHSA-N 324.380 2.547 0 40 DFAB O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1c1nc[nH]n1 181394932 WSUXCFCXCANAQL-GFCCVEGCSA-N 308.744 2.965 0 40 DFAB Cc1ccsc1CNC(=O)NCc1csc(N(C)C)n1 83198809 APTHIZYSAMOQTE-UHFFFAOYSA-N 310.448 2.578 0 40 DFAB COc1ccc(OCc2nc(C)cc(SCC(=O)O)n2)cc1 49468949 XWCVRQDBAVYDEI-UHFFFAOYSA-N 320.370 2.549 0 40 DFAB COc1cc2c(cc1S(=O)(=O)N1CCCCC1)CCCC2 225289832 JADNBTUXCIXNJH-UHFFFAOYSA-N 309.431 2.749 0 40 DFAB CS[C@@H](C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192405667 OEURURLSSGQFLL-NSHDSACASA-N 313.850 2.902 0 40 DFAB O=C(Cn1cc(-c2cccc(Br)c2)cn1)NC1CC1 227154330 NKSBQEZNBAPUNM-UHFFFAOYSA-N 320.190 2.591 0 40 DFAB COc1ccc(-n2cnc(C(=O)NCc3ccccc3)c2)cc1 226753559 QZMPOOIPFQKMFA-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB COc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12 225913860 NCFJDYPFZJGEKY-UHFFFAOYSA-N 315.325 2.960 0 40 DFAB Cc1cc(C2CC2)nc(NS(=O)(=O)Cc2cccc(F)c2)n1 191810386 GMKCXBSHPIDFLV-UHFFFAOYSA-N 321.377 2.743 0 40 DFAB CCNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 230029985 IJYCRXOCPUMKBW-QAETUUGQSA-N 303.450 2.611 0 40 DFAB Cc1cc(-c2csc(NC(=O)[C@@H](C)n3cncn3)n2)c(C)o1 194254920 PLPLLSQTRYUXLZ-SECBINFHSA-N 317.374 2.811 0 40 DFAB O=C(c1ccsc1)N1C[C@@H]2CCN(Cc3ccco3)[C@@H]2C1 96246073 OXRHTOXWRJLHGB-SWLSCSKDSA-N 302.399 2.688 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O 97095312 QBUNOJORVRTXGP-CQDKDKBSSA-N 322.453 2.610 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1F 96405882 VYNMFPBDZYVWJA-CVEARBPZSA-N 320.383 2.811 0 40 DFAB CCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O 96463822 ITHZDXOIQCRPTA-UHFFFAOYSA-N 309.413 2.783 0 40 DFAB biogenic O=S(=O)(NCCC(F)(F)F)c1c(F)cccc1Cl 97380100 FUOUUHWELTXQIK-UHFFFAOYSA-N 305.680 2.710 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2ccc(C)cc2C)c1C(N)=O 96182118 DZPZEWHKWRUBIO-UHFFFAOYSA-N 315.377 2.571 0 40 DFAB Cn1cc(Nc2cccc(NC(=O)C[C@H]3CCOC3)c2)cn1 96449966 BMJOWEOYASAEDT-GFCCVEGCSA-N 300.362 2.529 0 40 DFAB COC(=O)[C@H](C)CNC(=O)Nc1ccccc1CC(F)(F)F 96461430 LGRYDTIVXBVLLC-SECBINFHSA-N 318.295 2.722 0 40 DFAB CC(C)[C@@H](NC(=O)OCc1ccccc1)[C@H](O)C(F)(F)F 98095429 SESFXBYSHTUGNX-NEPJUHHUSA-N 305.296 2.861 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)Cn2ccnc2)C1 96462612 YWMIZINGJUGEEI-MELADBBJSA-N 310.467 2.587 0 40 DFAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 96405548 XVVVEZWZRZXUAU-YJBOKZPZSA-N 313.445 2.716 0 40 DFAB C[C@@]1(O)CCN(C(=O)c2ccccc2)C[C@H]1Oc1ccccc1 257323542 WKTKDFQOFVECMJ-IEBWSBKVSA-N 311.381 2.731 0 40 DFAB O=C(c1cccc2ncccc12)N1CCO[C@@H](c2ccncc2)C1 257221088 DNKMGFPXAONNKD-GOSISDBHSA-N 319.364 2.844 0 40 DFAB c1ccc(Nc2cccc(C[C@H]3COC4(CCNCC4)C3)n2)nc1 257306401 SUECXQUKWIFLNO-OAHLLOKOSA-N 324.428 2.921 0 40 DFAB FC(F)(F)c1cccc(N2CCN(c3nccs3)CC2)n1 63508373 AKTRMPUAGVHJTA-UHFFFAOYSA-N 314.336 2.884 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2cccc(O)c2)c1 68975222 ONZHRNPDBKUDJM-GFCCVEGCSA-N 315.369 2.829 0 40 DFAB C[C@@H](NC(=O)CCn1cncn1)c1cccc(C(F)(F)F)c1 54515810 SFAXZHYGPSCWHW-SNVBAGLBSA-N 312.295 2.564 0 40 DFAB CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1 75081505 RJYPLYJWDJJLKM-UHFFFAOYSA-N 307.419 2.909 0 40 DFAB CCC(=O)NCC(=O)NC1(c2cccc(Cl)c2)CCCC1 95422874 YGVUXFPGNNIQLB-UHFFFAOYSA-N 308.809 2.752 0 40 DFAB Cc1cc(C)nc(NC(=O)NCC(=O)Nc2cccc(F)c2)c1 97378648 LIKDOZLISNLJSF-UHFFFAOYSA-N 316.336 2.598 0 40 DFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1Cc2ccccc2O1 13019268 KJWFIUCBCVPOIR-CQSZACIVSA-N 319.263 2.950 0 40 DFAB CCn1nccc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 14239251 MWBGVEGTZDPULY-UHFFFAOYSA-N 321.446 2.679 0 40 DFAB Cc1cc(C[C@@H](C)NC(=O)c2scnc2C(C)(C)C)n[nH]1 161699481 FOKGPUQWFQMTPH-SECBINFHSA-N 306.435 2.833 0 40 DFAB CO[C@H]1CCCN(Cc2cnn(C)c2)[C@H]1Cc1ccc(C)cc1 643914406 QSCHZVSLOYIKDF-OALUTQOASA-N 313.445 2.951 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1ncccc1C)c1cccs1 21383567 FJHZLCJXFMFELJ-LBPRGKRZSA-N 303.387 2.658 0 40 DFAB Cc1cc(C)cc(-n2ccn(Cc3ccccc3)c(=O)c2=O)c1 20488904 ZXWLJVZKNRMUEH-UHFFFAOYSA-N 306.365 2.664 0 40 DFAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCC(=O)O 40286045 HUAKYISEYKNGAF-UHFFFAOYSA-N 324.789 2.976 0 40 DFAB COc1ccccc1CCNC(=O)c1cnc2onc(C)c2c1 30925509 HGZMVGRXNDFCCO-UHFFFAOYSA-N 311.341 2.512 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1cc2c(s1)CCC2 32614130 QYSBXIDCHCBGPH-UHFFFAOYSA-N 311.410 2.857 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@@H]1Cc2ccccc2O1 33116699 RANKIACWFJFWFN-ZDUSSCGKSA-N 300.358 2.840 0 40 DFAB C/C(=C\C(=O)N[C@@H](C)c1nncn1C)c1ccccc1Cl 103866641 FCPPCUUIMBFSML-UQSGXBNBSA-N 304.781 2.749 0 40 DFAB O=C(O)Cc1ccc(NC(=S)NCCc2ccccc2)cc1 2809093 APKSAVAJMZAIKS-UHFFFAOYSA-N 314.410 2.843 0 40 DFAB O=C(N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1cscn1 78987356 GMXTXVRXEKLEIG-HOTGVXAUSA-N 324.409 2.998 0 40 DFAB O=C(c1ccccc1)N1CCC(n2nnc3ccccc32)CC1 1380486 LFMPIVXCQIDWIQ-UHFFFAOYSA-N 306.369 2.909 0 40 DFAB CCc1cccc(C)c1NC(=O)N1CCSC[C@H]1CCO 79110547 DBCBXLKBJXEKGC-CQSZACIVSA-N 308.447 2.889 0 40 DFAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc2c(c1)OCO2 4714086 NWGCMTDDRWKNGP-MLPAPPSSSA-N 311.268 2.899 0 40 DFAB CCCNC(=O)c1ccccc1NC(=O)COc1ccccc1 7643930 ISWTYFDAAHBVCR-UHFFFAOYSA-N 312.369 2.844 0 40 DFAB Cc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2nc1C 8060767 SLCLASLPEPQLAN-UHFFFAOYSA-N 320.352 2.598 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1 24985132 NBUFOWBIMYSRIY-KRWDZBQOSA-N 324.380 2.695 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1 25152927 LTTLEMHBAHSZTD-PBHICJAKSA-N 311.381 2.712 0 40 DFAB CC1(C)C(=O)N(CCC(=O)N2CCCCC2)c2ccccc21 57355680 GKRPQJDDIWEYLX-UHFFFAOYSA-N 300.402 2.713 0 40 DFAB COC1CCN(c2ccc(F)cc2CN(C)CC(C)(C)O)CC1 95395027 YPJFTFPOJTVKKL-UHFFFAOYSA-N 324.440 2.644 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCCN3CCC[C@@H]3C2)n1 95392645 KRRGOUCDEZDJGB-GFCCVEGCSA-N 322.840 2.564 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)o1 3259829 RYLRYLODIVXMCG-GFCCVEGCSA-N 301.342 2.931 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@@H]2COC3)cc1 101467113 VDNOKFRIEWXYSM-ZIAGYGMSSA-N 309.431 2.536 0 40 DFAB Cc1ccc(Oc2ccc(NC(=O)Cn3cncn3)cn2)cc1C 58197847 WQHZLMNZBGRWSJ-UHFFFAOYSA-N 323.356 2.721 0 40 DFAB CC1(C)C[C@@H]2C[C@](C)(CN2Cn2nc3c(cc2=O)CCC3)C1 101342946 OSLPUCIHRWQHJB-KDOFPFPSSA-N 301.434 2.590 0 40 DFAB C[C@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)C1 44872162 OCDRYGJSQKCUOG-FEAKQIBJSA-N 310.401 2.598 0 40 DFAB CC(C)(CNc1cn[nH]c(=O)c1Cl)c1ccc2c(c1)OCO2 58291870 RIUNSMSFSBYVPN-UHFFFAOYSA-N 321.764 2.542 0 40 DFAB CCN(CCNC(=O)[C@H](C)SCc1ccccc1)C1CC1 58392437 RUMRBHWIGZTWSL-AWEZNQCLSA-N 306.475 2.909 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 58405318 WVKFLIZZYBWUEQ-BXUZGUMPSA-N 302.422 2.801 0 40 DFAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cccnc1 12787881 MWUAOWKPLXIHON-MRXNPFEDSA-N 302.399 2.749 0 40 DFAB O=C(NCCOc1cccc(Cl)c1)c1cc(C2CC2)[nH]n1 36391170 QOEDWHIDXIWEEI-UHFFFAOYSA-N 305.765 2.749 0 40 DFAB COc1ccc(/C=C/C(=O)OCC(=O)C(C)(C)C)cc1OC 3318435 LPEKWAKOUGMBCU-VQHVLOKHSA-N 306.358 2.875 0 40 DFAB O=C(OCc1ccc2nn[nH]c2c1)c1ccc2ccccc2n1 76016929 NRPIXCXZIYTCDG-UHFFFAOYSA-N 304.309 2.863 0 40 DFAB COc1ccc(C(=O)NC2CCCCCCC2)cc1OCCO 59018274 MHOVOOKVUUSEJI-UHFFFAOYSA-N 321.417 2.909 0 40 DFAB Cc1cccc(N(C)CC(=O)Nc2c(C)nn(C)c2C)c1C 59423632 ZHKQQWRXWJOSAZ-UHFFFAOYSA-N 300.406 2.729 0 40 DFAB NC(=O)[C@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 10376670 SKAQQPKCGYNMLN-QGZVFWFLSA-N 320.348 2.861 0 40 DFAB O=C(OCc1cn2ccccc2n1)c1cnc2ccccc2n1 60716730 FMHIIVGPJMUWMW-UHFFFAOYSA-N 304.309 2.635 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(O)c1 3511060 AEATZWIWISSUBJ-UHFFFAOYSA-N 300.310 2.960 0 40 DFAB COc1ccc(C(=O)O)c(OCC(=O)NC2CCCCCC2)c1 13084178 NZWKMLCFDBWZFD-UHFFFAOYSA-N 321.373 2.611 0 40 DFAB O=C(O)C[C@@H](NC(=O)COc1cccc(F)c1)c1cccs1 13389195 UWTWTCIONQIMGI-GFCCVEGCSA-N 323.345 2.598 0 40 DFAB CC(=O)N1CCN(Cc2nc(-c3ccc(C)s3)cs2)CC1 63864449 DGFWMWNNXRGYGG-UHFFFAOYSA-N 321.471 2.844 0 40 DFAB Cc1csc(N2CCCN(Cc3nc(C)c(C)o3)CC2)n1 64635904 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CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 2054601 UQIPPNACEUKWAJ-UHFFFAOYSA-N 307.346 2.837 0 40 DFAB COc1ccc(OCCNC(=O)c2c(C)noc2C(C)C)cc1 44872755 WBEZLXXUCLIISA-UHFFFAOYSA-N 318.373 2.924 0 40 DFAB Cc1cc(C)cc(OCC(=O)NCCc2csc(C)n2)c1 27793750 KWFRRCLEGYLXEE-UHFFFAOYSA-N 304.415 2.806 0 40 DFAB CSCc1nnc(SCc2noc(CC(C)C)n2)o1 45091545 OCIFGGMIQHILGL-UHFFFAOYSA-N 300.409 2.806 0 40 DFAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cnc(C)cn1 3350731 DGNJSQQRPPUROT-UHFFFAOYSA-N 314.341 2.743 0 40 DFAB CN(C(=O)COC(=O)c1ccc(F)cc1F)c1ccccc1 51357228 HZOGLUUEBVUPLS-UHFFFAOYSA-N 305.280 2.785 0 40 DFAB CC(C)C[C@@H](CNC(=O)Nc1ccccc1)N1CCOCC1 12812012 OWHWEJNCMIXGFD-INIZCTEOSA-N 305.422 2.555 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](CC)N2CCCC2=O)C1 110652460 KNOOFIPJNIKSBV-MJBXVCDLSA-N 312.479 2.520 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)o1 3439940 HVNKRZADABTVCO-UHFFFAOYSA-N 307.733 2.715 0 40 DFAB Cc1n[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1Cl 72400506 ZMUPBWHTPKMLLJ-UHFFFAOYSA-N 306.738 2.798 0 40 DFAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(OC)c1 13948910 NHOJLLCXDBMZOR-UHFFFAOYSA-N 313.419 2.657 0 40 DFAB CC(C)c1cc(C(=O)N2CCC(N(C)C)CC2)nn1C(C)(C)C 65534726 RWUUBIHUKILXMJ-UHFFFAOYSA-N 320.481 2.928 0 40 DFAB CCc1nnc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 14184063 ADAVXVSCMRGXPJ-JTQLQIEISA-N 309.778 2.696 0 40 DFAB Nc1nc(Nc2ccc(OC(F)(F)F)cc2)c2nc[nH]c2n1 9421902 JOVQZEWRPNCLSA-UHFFFAOYSA-N 310.239 2.577 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)cn1 71797204 LXPBHWFMRTWRNS-CVEARBPZSA-N 305.809 2.944 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 7132060 CWNQGEROJLCCNH-SMDDNHRTSA-N 303.358 2.807 0 40 DFAB O=C(NC[C@H]1COc2ccccc2C1)N1C[C@H]2CC=CC[C@H]2C1 96439157 PIEGCBMBMWGMRB-BHYGNILZSA-N 312.413 2.845 0 40 DFAB COc1ccccc1CCNC(=O)c1cc(=O)c2ccccc2o1 15742753 HWAAOLBOFBYDKE-UHFFFAOYSA-N 323.348 2.774 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1F 7599061 RRCGRQDXUOSSKH-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB O=C(CCc1cccnc1)Nc1cnc(-c2cccc(O)c2)nc1 70037615 MHGYTKPKAFSGBT-UHFFFAOYSA-N 320.352 2.816 0 40 DFAB NC(=O)c1ccc(Cl)cc1NCc1noc2c1CCCC2 70039221 OWHGOHZUMRUJOL-UHFFFAOYSA-N 305.765 2.918 0 40 DFAB CCc1nc(C[S@@](=O)CCC(=O)Nc2ccccc2)cs1 70039803 GKNBRNNCQMVYCV-OAQYLSRUSA-N 322.455 2.983 0 40 DFAB C[C@H](NCc1cnn(Cc2ccccc2)c1)[C@@H](C)n1cccn1 69368829 FODSQBLVJPQROP-JKSUJKDBSA-N 309.417 2.867 0 40 DFAB COc1cccc(CC(=O)N2CCCC[C@H]2Cn2cccn2)c1 71864970 UJTGNHZKUFZAAS-INIZCTEOSA-N 313.401 2.516 0 40 DFAB NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(F)cc1 8390674 QOVICUCEFVWZFF-UHFFFAOYSA-N 307.708 2.840 0 40 DFAB CCCc1nnc2sc(COc3ccccc3OC)nn12 8392275 ODIVYCWOLMFLIP-UHFFFAOYSA-N 304.375 2.726 0 40 DFAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@H]2C)cc1 71856473 OGJXIHRXKGXFFI-UKRRQHHQSA-N 320.458 2.972 0 40 DFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc(C)o1 19940205 AARJIBDJVXSJTN-OAHLLOKOSA-N 319.357 2.559 0 40 DFAB COc1cc(CN[C@@H](C)[C@@H](C)n2cc(C)cn2)cc2c1OCO2 69564567 OLHQYDPIIHARBR-QWHCGFSZSA-N 317.389 2.668 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 69557342 GTZGBGYCHCGEAI-UHFFFAOYSA-N 323.327 2.968 0 40 DFAB Cc1cccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)c1C 8726177 BFLYOZNXEVLNJU-UHFFFAOYSA-N 323.396 2.986 0 40 DFAB CCSc1cc(C(=O)N2CCC[C@@H]2c2nccn2C)ccn1 95456711 FDYGCHZQYYGCRY-CYBMUJFWSA-N 316.430 2.904 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1 9815966 HIEVGWYFJAZVSP-ZWNOBZJWSA-N 321.446 2.729 0 40 DFAB CCN(Cc1ccoc1)[C@@H](C)C(=O)Nc1ccnn1C(C)C 95430641 KFYISWWBUKGOFD-ZDUSSCGKSA-N 304.394 2.906 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCC1(c2ccncc2)CC1 97045593 OWFVXVJJKLYGRV-GFCCVEGCSA-N 312.417 2.763 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCCN2c2cnc3ccccc3n2)n1 72276514 QYZSLHHWBMCIMG-OAHLLOKOSA-N 322.416 2.897 0 40 DFAB O=C(Nc1ccccc1OCC1CC1)C(=O)N[C@@H]1CC=CCC1 72294291 MRMGFBIZALBNIH-CQSZACIVSA-N 314.385 2.639 0 40 DFAB O=C(Cc1cccc(O)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 97108003 FGPFHPRAXWVFCA-KRWDZBQOSA-N 315.344 2.754 0 40 DFAB CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)c2ccccc21 89385712 YHXUTYTUGZBPHF-XNTDXEJSSA-N 309.321 2.667 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CCOC2(CCCC2)C1 89526363 FAOIZESZKSWCHK-LLVKDONJSA-N 307.394 2.707 0 40 DFAB O=C(NCCCc1ccc(O)cc1)c1cc(=O)c2ccccc2o1 75141095 PGIVKUQSLWNWIN-UHFFFAOYSA-N 323.348 2.861 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 75130059 NQAAFKQDBLFQCP-AWEZNQCLSA-N 316.405 2.873 0 40 DFAB CNC(=O)COc1ccc(OCc2cnc(Cl)s2)cc1 89738257 QXBFYJSYKGQEQT-UHFFFAOYSA-N 312.778 2.500 0 40 DFAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F 76082191 JBDVRUWDXFLRPH-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1cc(N[C@@H](CO)c2ccccc2)nc(-c2ccccn2)n1 68665206 BMKCWRGLQTWPSR-INIZCTEOSA-N 306.369 2.993 0 40 DFAB COc1cnc(NC(=O)N2CCN(C)c3ccccc3C2)s1 554512406 RMEJQBQRVCTWDR-UHFFFAOYSA-N 318.402 2.636 0 40 DFAB Cc1ccc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)nn1 35597990 ZVAOUAZXCNACJY-UHFFFAOYSA-N 323.759 2.811 0 40 DFAB Cc1cccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N(C)C)c1 408536026 VHEMXGGSJIAKJV-UHFFFAOYSA-N 310.357 2.895 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(F)cc1Cl)CC(=O)O2 524733640 YXQPZDMUHDFJDR-LLVKDONJSA-N 321.735 2.927 0 40 DFAB COCC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357853 ZVTCLNFCXXSTCZ-SFHVURJKSA-N 310.397 2.982 0 40 DFAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1-n1nnnc1C 78979308 ACDAOUCGVOZBRG-UHFFFAOYSA-N 323.356 2.540 0 40 DFAB CCC(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903572 NYJDPHBSEIHCQG-UHFFFAOYSA-N 303.337 2.992 0 40 DFAB O=C(O)/C=C\C(=O)Nc1ccc(Br)cc1Cl 31719620 ARCZKZYKNUNGNI-ARJAWSKDSA-N 304.527 2.682 0 40 DFAB CCn1ncc2ccc(NC(=O)[C@@H]3CNCc4ccccc43)cc21 565477747 QRLINSSTQNHHAA-QGZVFWFLSA-N 320.396 2.882 0 40 DFAB Cc1nccc(CNC(=O)N[C@@H](C)c2csc(C3CC3)n2)n1 79036119 DRYCJBPTLNHUOV-VIFPVBQESA-N 317.418 2.679 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2cnn(CCc3ccccc3)c2)n1 72247008 QQZCUIOENIDCTG-UHFFFAOYSA-N 323.400 2.578 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nc(N2CCCCC2)n1 72239818 HMAJYZKMPAJDRS-KBPBESRZSA-N 316.449 2.893 0 40 DFAB O=C1CCC[C@@H](Cc2nc(Cc3ccc(F)c(Cl)c3)no2)N1 528227183 KHWBKWUHLPOREE-JTQLQIEISA-N 323.755 2.664 0 40 DFAB COc1ccccc1OC[C@H](C)NC(=O)Cc1ccc(F)cc1 223106259 YEDOWPMZMMADJJ-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB CCN1CC=C(c2nn3c(-c4ccccc4)nnc3s2)CC1 226250135 NETUCRGLWSBSIJ-UHFFFAOYSA-N 311.414 2.962 0 40 DFAB Cn1cccc1[C@H]1COCCN1Cc1nc2cc(F)ccc2o1 131785835 WDHIMCKRKPBQEO-OAHLLOKOSA-N 315.348 2.879 0 40 DFAB CC(C)Oc1nn(C)c2ccc(NC(=O)C3CCOCC3)cc12 227164794 WHCQQFUAEDKJRK-UHFFFAOYSA-N 317.389 2.726 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C 223721570 FWMUPQHSPYEGSU-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB COc1ccc(OC[C@H](C)NC(=O)Cc2ccc(F)cc2)cc1 223907037 ZPLGXNGWXQMPEO-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2sccc2Br)C1 195564567 NYSTWOHHEXXMHF-SECBINFHSA-N 317.252 2.611 0 40 DFAB COC(C)(C)c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 191583681 NDXHMCBIAOENFO-UHFFFAOYSA-N 313.361 2.816 0 40 DFAB CC(C)COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cn1 96408107 WSSHIWCLVCCJDL-HUUCEWRRSA-N 314.389 2.592 0 40 DFAB C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)cc1OC(F)F 95422867 WSPARZABNNNRBI-GXSJLCMTSA-N 316.323 2.699 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccnc2C)cc1 97099025 OMSADADWBQZGRR-AWEZNQCLSA-N 318.442 2.650 0 40 DFAB CC(C)N1CCC2(CCOC[C@@H]2NC(=O)c2ccccc2)CC1 96216738 QBEKFDYXWUOROZ-KRWDZBQOSA-N 316.445 2.696 0 40 DFAB Cc1ccc(N2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)nn1 96039810 UIFQNMIMHHGLOL-SJLPKXTDSA-N 317.433 2.587 0 40 DFAB O=C(c1cc(F)c(F)cc1F)N1CCc2ccccc2[C@H]1CO 97097748 KKBSEILVBORCMJ-MRXNPFEDSA-N 321.298 2.836 0 40 DFAB CCCn1nc(C)c(C(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)c1C 257257748 KQXDNDYCJNEGPH-CQSZACIVSA-N 315.421 2.571 0 40 DFAB CN(Cc1cccnc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257203201 APASNPVBTAYFNM-QYZOEREBSA-N 312.413 2.874 0 40 DFAB C[C@@]1(O)CCN(C(=O)C2CCCC2)C[C@H]1Oc1cccc(F)c1 257230346 GBWRAZGMKLFYEO-SJLPKXTDSA-N 321.392 2.747 0 40 DFAB CC1(C)CCC2(CCNCC2)CN1S(=O)(=O)c1ccccc1 257215494 CQJVINITGSUXFJ-UHFFFAOYSA-N 322.474 2.620 0 40 DFAB Cc1cncc([C@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 257310783 UGNSZAUSRNYIHV-MRXNPFEDSA-N 311.385 2.893 0 40 DFAB Cc1nc(CN2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cs1 257203819 ARTTYRYTLINHPI-IRXDYDNUSA-N 318.442 2.856 0 40 DFAB COc1cc(F)ccc1NC1CCN(c2cnccn2)CC1 540709371 PJPMXIWRJTYBDY-UHFFFAOYSA-N 302.353 2.705 0 40 DFAB O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccccc1Cl 70636728 YZSIIDHLFNGEHM-CYBMUJFWSA-N 317.838 2.560 0 40 DFAB Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccs2)c(=O)[nH]1 57835259 ZLUOGVQWRVXUEX-LLVKDONJSA-N 319.430 2.600 0 40 DFAB CCCN1CCC(Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 97378245 BXSIDJRXSRPTFS-UHFFFAOYSA-N 310.463 2.685 0 40 DFAB Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@H](C)C(F)(F)F)C2)c1 97372124 NXPMYTVRTAFNAD-CYBMUJFWSA-N 321.289 3.730 0 40 DFAB OC12C[C@@H]3C[C@@H](C1)CC(NCc1ccc4c(c1)OCCO4)(C3)C2 100243303 SESUXNFRMIPYAU-QAQJPARQSA-N 315.413 2.631 0 40 DFAB Cc1cccc(C)c1NC(=O)C(=O)NCCCc1ccccc1 5184248 CZRFTHNQJZKIBY-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB COc1ccc2nc(SCC(=O)N3CCCCC3)[nH]c2c1 5634398 WFRQXFYOVFTBOT-UHFFFAOYSA-N 305.403 2.676 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cccn2)cc1 14180288 XYXWHNRXCPHDPT-UHFFFAOYSA-N 321.336 2.912 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 19118013 AVSDKEPBUUDYRT-HNNXBMFYSA-N 323.396 2.886 0 40 DFAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cn(C)c2ccc(F)cc12 19575172 ATKKSDBOLOEDBA-CZUORRHYSA-N 301.409 2.986 0 40 DFAB O=C1c2cc3c(cc2CC[C@H]1CN1CCCCC1)OCCO3 5511142 CSLJRPOTQZPSSN-AWEZNQCLSA-N 301.386 2.689 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccccc2)c(C)c1 7304361 BCTQWNFACHMMHQ-UHFFFAOYSA-N 319.426 2.969 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@@H]1CC=CCC1 252539512 ODYFDKVRNYDTIG-BPLDGKMQSA-N 319.380 2.778 0 40 DFAB c1ccc(N2C[C@@H]3CCN(c4cnc5ccccc5n4)[C@@H]3C2)nc1 1889186629 CZDUQEAXPDXVKR-WMLDXEAASA-N 317.396 2.740 0 40 DFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 105698 LVGNLORGOUXEHG-UHFFFAOYSA-N 324.333 2.805 0 40 DFAB O=C(CCc1cc(Cl)no1)Nc1ccc2c(c1)OCCO2 4786503 FFOLGPXITJVKPM-UHFFFAOYSA-N 308.721 2.671 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(F)cc1 8931717 KPCIDSFKONWBGA-UHFFFAOYSA-N 317.345 2.764 0 40 DFAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C#N)c3)oc12 5125366 GOFIAHRCBSLVKP-UZYVYHOESA-N 319.320 2.644 0 40 DFAB CCOc1cc(C=O)ccc1OCC(=O)N1CCCCCC1 9237650 RAFALLMQZHOFSC-UHFFFAOYSA-N 305.374 2.679 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 40159821 ZSAZHJNQQDOAHD-UKRRQHHQSA-N 324.380 2.606 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 100171719 VQFOGXGGJWPGIM-YKTARERQSA-N 305.333 2.673 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2F)c1 40231370 IDGBWSPPPLHXFR-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB CC[C@@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O 207539 NSJGSGOFYGSHNI-LBPRGKRZSA-N 301.346 2.702 0 40 DFAB Cc1cc(C)c(C2=CSC3=NS(=O)(=O)CCN23)c(C)c1 101949984 BEQRIIWNLKZHBH-UHFFFAOYSA-N 308.428 2.658 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNc1nnnn1-c1ccccc1 52280751 ONZYBTOBUZTXSS-DZGCQCFKSA-N 301.394 2.670 0 40 DFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ccccc21 102378323 RTRABVBKKUXONU-RDJZCZTQSA-N 306.365 2.916 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nc(C2CC2)nc(C)c1C(C)=O 32908138 DRJHLTUEZFXNFE-SECBINFHSA-N 321.446 2.872 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc(F)ccc1F)Cc1ccccc1 52839359 WTCLENGGUWINCO-HNNXBMFYSA-N 318.367 2.868 0 40 DFAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc2c(c1)NC(=O)CO2 33119029 IIOQWXRZVNRAMR-VXGBXAGGSA-N 300.358 2.551 0 40 DFAB Cc1csc(CNc2cccc(-n3c(C)c[nH]c3=O)c2)n1 97035169 BHNSGWSANDAMER-UHFFFAOYSA-N 300.387 2.851 0 40 DFAB CCOC(=O)N1N=C(c2ccc(C)cc2)C[C@]1(O)C(F)(F)F 794355 WRFRKUUPZBLDQT-ZDUSSCGKSA-N 316.279 2.812 0 40 DFAB CC(C)c1nc(C[S@@](=O)CC(=O)NC2CCCC2)cs1 78394672 MSDLUKPYARERSU-FQEVSTJZSA-N 314.476 2.574 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2csc(C(C)(C)C)n2)no1 42122438 ZDSWRZPCFFBTBE-UHFFFAOYSA-N 322.434 2.808 0 40 DFAB CCC(=O)N1CC[C@H](NC/C=C/c2ccccc2OC)[C@H](C)C1 78897150 VIOQKWVXXDYDMU-FUZMGVLZSA-N 316.445 2.945 0 40 DFAB O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1 1336900 WGVODZNVIQJUSX-UHFFFAOYSA-N 312.344 2.956 0 40 DFAB O=C(Nc1cccc(NC(=O)C2CCOCC2)c1)c1ccco1 23200844 UPYMFZAMBGQPIK-UHFFFAOYSA-N 314.341 2.897 0 40 DFAB COC(=O)[C@H](OC(=O)c1cccnc1Cl)c1ccccc1 23222280 ZCZDOWRPDOPABG-GFCCVEGCSA-N 305.717 2.806 0 40 DFAB COc1ccc(OC)c(Nc2oc(C)cc(=O)c2C(C)=O)c1 4575166 GXWAGIILOOLFGQ-UHFFFAOYSA-N 303.314 2.912 0 40 DFAB O=C(O)c1ccc(NC(=S)NCc2ccccc2)cc1O 6045540 QFKSALQTLYBGJU-UHFFFAOYSA-N 302.355 2.577 0 40 DFAB O=C(NCc1ccc(O)cc1)[C@@H]1CCCN1Cc1ccccc1 84535977 KKVHJNKRIBWTPA-SFHVURJKSA-N 310.397 2.673 0 40 DFAB CO[C@H](CNC(=O)CCc1c(C)noc1C)c1ccccc1 43520151 AUFAWXSECUULFS-MRXNPFEDSA-N 302.374 2.728 0 40 DFAB CCc1ccc2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 25499870 DNKSPBPNNSTGTN-CHWSQXEVSA-N 301.386 2.965 0 40 DFAB CCCc1nc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)sc1CC 56003912 QFGUOBKTCUKPGB-QWRGUYRKSA-N 323.462 2.759 0 40 DFAB CC(C)c1csc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)n1 107146057 MEDKPJREUMHMCH-FPQZTECRSA-N 307.419 2.908 0 40 DFAB Cc1occc1CN(C)C(=O)Nc1ccccc1C(=O)N(C)C 56619803 WKDHJJUXYRIDRC-UHFFFAOYSA-N 315.373 2.954 0 40 DFAB Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9170499 YLCRXDZNOZWHIV-UHFFFAOYSA-N 324.380 2.641 0 40 DFAB Cc1ccccc1C1(C(=O)/N=c2/sccn2C)CCOCC1 57383015 MPDBMHIZSHOHDK-FBMGVBCBSA-N 316.426 2.571 0 40 DFAB NC(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12640694 WIWIJXWAYZFLMU-UHFFFAOYSA-N 321.380 2.560 0 40 DFAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(-n2cncn2)cc1 12749341 ABKIINLIFALDCX-ZDUSSCGKSA-N 324.359 2.826 0 40 DFAB O=C(c1ccccc1OCC1CC1)N1CC[C@H](N2CC=CC2)C1 102727284 RAWROXLZRJJHGC-INIZCTEOSA-N 312.413 2.562 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)on1 10170236 OUMHETMAOPRROO-VIFPVBQESA-N 300.318 2.872 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc2cccnc12 101100564 KDDJXDDCBGIAAL-GBOPCIDUSA-N 308.337 2.696 0 40 DFAB C[C@H](Sc1nc2ncccn2n1)c1cn(-c2ccccc2)nn1 84667511 ZBKLUURSXGRINK-NSHDSACASA-N 323.385 2.558 0 40 DFAB COc1ccc2c(CC(=O)N(C)CCC(C)C)cc(=O)oc2c1 58394262 WUMAUFCRBBUURX-UHFFFAOYSA-N 317.385 2.849 0 40 DFAB COc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10762869 UWSJKDKNKLJELF-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1cccs1 11604987 DOLXGISDPIGBRX-GFCCVEGCSA-N 312.398 2.879 0 40 DFAB CCOC(=O)c1sc2ncnc(-n3nc(C)cc3C)c2c1C 12082647 SDSYSMKJTLMPIK-UHFFFAOYSA-N 316.386 2.979 0 40 DFAB Cc1nn(C)c(C(=O)NC2CCC(C)CC2)c1Br 2781036 FOKUQIKXBOCJNY-UHFFFAOYSA-N 314.227 2.800 0 40 DFAB O=C(NCCn1cc(Cl)cn1)c1cccc(C(F)(F)F)c1 2728818 IZBYHYPZMCGHHT-UHFFFAOYSA-N 317.698 2.985 0 40 DFAB O=C(Cc1ccsc1)NCc1ccc(NC(=O)C2CC2)cc1 12929741 UAQRUZPTTZKVAS-UHFFFAOYSA-N 314.410 2.956 0 40 DFAB Cc1ccc2nc(COC(=O)c3ccc(NC4CC4)nc3)cn2c1 63989540 XITMLOLWRLXZKA-UHFFFAOYSA-N 322.368 2.969 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)O[C@H]1CN2CCC1CC2 4020508 MCMIZHFFNRDDER-IEKYFPHUSA-N 304.434 2.776 0 40 DFAB C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCNC1=O 64331860 FKZJQGVWXBFAAI-BXUZGUMPSA-N 304.415 2.738 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1CCOc1ccccc1F 9154925 MTZBMSXCORQYGA-UHFFFAOYSA-N 318.279 2.861 0 40 DFAB O=C(Nc1ccncc1F)N1CCN(c2cccs2)CC1 97136078 QTAPQKXTJBIXLC-UHFFFAOYSA-N 306.366 2.636 0 40 DFAB CC[C@H]1CCCCN1CN1C(=O)NC2(CCC(C)CC2)C1=O 6358774 BKKVCJVCQUHEFZ-UUCFBXCCSA-N 307.438 2.709 0 40 DFAB C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)c1ccccc1 65515248 PFRSIUUCLGVJMV-CVEARBPZSA-N 312.413 2.751 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1cc2ccccc2cc1OC 4836139 BFGZGGDQZIAEJX-LBPRGKRZSA-N 315.369 2.920 0 40 DFAB Cc1ccc(OCCn2nc(-c3cccs3)oc2=O)cc1 7251910 TWPYTGLWDGANIL-UHFFFAOYSA-N 302.355 2.952 0 40 DFAB Nc1cc(F)ccc1C(=O)OCc1nnc(-c2ccccc2)o1 7376592 ZMWYKJXMRVTXDY-UHFFFAOYSA-N 313.288 2.815 0 40 DFAB O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(=O)[nH]c1 16044588 FLHZIIPKLVMWJK-UHFFFAOYSA-N 319.316 2.825 0 40 DFAB Cc1ccc2c(c1)cc(CNCc1ccccc1)c1nnnn12 20151094 OHKOBWPOLUZJPB-UHFFFAOYSA-N 303.369 2.876 0 40 DFAB CCSc1ccc([C@H](C)NC(=O)CCn2cncn2)cc1 69588335 BPVBUFLYYCBSSS-LBPRGKRZSA-N 304.419 2.658 0 40 DFAB CCO[C@@H]1C[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 69899848 LVTXAPLVLWRYGN-RHSMWYFYSA-N 317.433 2.556 0 40 DFAB COc1ccsc1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 69927564 NDADFKBMFOAAAY-ZDUSSCGKSA-N 319.430 2.875 0 40 DFAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)c2ccccc2)C1=O 8886289 OEMNSAXPHLHZPV-KRWDZBQOSA-N 302.374 2.616 0 40 DFAB COc1ccc(-c2nc(CN3CCn4ccnc4C3)co2)cc1 97201233 MVPQGDITGWTJPR-UHFFFAOYSA-N 310.357 2.563 0 40 DFAB CSC[C@H](C)NC(=O)N1CCO[C@](C)(c2ccccc2)C1 84640620 QTBOYLORECNKFO-BBRMVZONSA-N 308.447 2.695 0 40 DFAB Cc1[nH]ncc1C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 95418710 CTUDAXPEYPNDQO-CQSZACIVSA-N 318.465 2.835 0 40 DFAB Cc1ccn2c(CNc3ccc(NC(=O)C4CC4)nc3)cnc2c1 95430895 HVEFOKNAZJPTKE-UHFFFAOYSA-N 321.384 2.998 0 40 DFAB CNC(=O)[C@@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 95982615 FSHGIEVKXVYEKC-SFHVURJKSA-N 309.413 2.849 0 40 DFAB O=C(NCC(C1CC1)C1CC1)N1CCC(O)(C(F)(F)F)CC1 95985250 TZVGCUSOHAVIDW-UHFFFAOYSA-N 320.355 2.521 0 40 DFAB O=C(NC1CC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 95993082 RADZPKHDTVVKTF-ZDUSSCGKSA-N 317.437 2.904 0 40 DFAB CCn1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cn1 95988564 AOJFQLGWZIHXED-HZPDHXFCSA-N 307.344 2.801 0 40 DFAB CCN1CCN([C@@H]2CCN([C@@H](C)CCc3ccccc3)C2)CC1 95952907 OYWBNEVZRPDTGU-AZUAARDMSA-N 315.505 2.720 0 40 DFAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)c(=O)[nH]1 75124558 NTNVTZUZDULMHW-HUUCEWRRSA-N 314.360 2.551 0 40 DFAB Cc1nnc(SC[C@@H](O)COc2cccc3[nH]ccc23)s1 89740830 JSYKDIUWMPSAAW-JTQLQIEISA-N 321.427 2.860 0 40 DFAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H]1c1ccccc1 89828083 LIVYHNCFCDJIKG-KRWDZBQOSA-N 308.381 2.841 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccoc2)C1 120060693 LVRYUAKBUBJNMV-OLZOCXBDSA-N 308.378 2.845 0 40 DFAB CCN1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 31961924 MDPIBSWCGDZSOV-RBUKOAKNSA-N 313.397 2.934 0 40 DFAB Cc1cccc(OC(F)F)c1NC(=O)NCCn1ccnc1 69333872 GLUYUAUIBJXAEX-UHFFFAOYSA-N 310.304 2.615 0 40 DFAB O=C(Nc1ccc2scnc2c1)c1n[nH]c(=O)c2ccccc12 78726125 KFCAUOMUWBCCJC-UHFFFAOYSA-N 322.349 2.785 0 40 DFAB C[C@@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 72203968 ZZBRODJIOYUUOZ-KGLIPLIRSA-N 320.437 2.917 0 40 DFAB Cc1cc(=O)c(O)c([C@H](CC(=O)O)c2ccc(O)c(Cl)c2)o1 1547139690 XYWWPLGAFPHNNV-SECBINFHSA-N 324.716 2.619 0 40 DFAB biogenic COc1ccc(F)cc1NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 120536401 RJUCTBGPGCPSDP-SECBINFHSA-N 306.341 2.619 0 40 DFAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C(C)C)CC1 72222673 IHQMZQAKPSDBGL-LJQANCHMSA-N 324.472 2.969 0 40 DFAB COC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C1 72851816 IVPPLKVUWBMPJK-CQSZACIVSA-N 318.417 2.634 0 40 DFAB COC(=O)CCC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32091702 CLMSGNPZIFXGGG-UHFFFAOYSA-N 300.358 2.612 0 40 DFAB Cn1ncc(NCCc2nc3ccccc3s2)c(Cl)c1=O 74726915 MMUAWNGQRHTWHA-UHFFFAOYSA-N 320.805 2.698 0 40 DFAB CC(C)c1nnc(C2CCN(C(=O)c3cccnc3)CC2)o1 38518226 FFOWVLBPDZXCIJ-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2cnn(C)c2)n1 72355599 RENDITDBWPRUGQ-QGZVFWFLSA-N 322.416 2.646 0 40 DFAB Cc1cc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)ccc1F 238838572 HHTKAFYQNKEKIN-HYVNUMGLSA-N 321.392 2.519 0 40 DFAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(C)C)C3)nc2c1 49169143 ISQXEMBQQAESGJ-LBPRGKRZSA-N 322.430 2.819 0 40 DFAB biogenic,in-vitro Cc1noc(C)c1NC(=O)[C@H](CC(C)C)N1CCCCC1=O 87208984 ALFJOFYDIKLNBL-ZDUSSCGKSA-N 307.394 2.657 0 40 DFAB CC(C)(C)OC(=O)N1CC(Cc2nc(-c3ccncc3)no2)C1 220292148 NNGQGSNKLDVYKV-UHFFFAOYSA-N 316.361 2.541 0 40 DFAB O=C(COc1cccc2c1CCCC2)NCCCN1CCCC1 223231571 JQCTZJVWTUYRQW-UHFFFAOYSA-N 316.445 2.546 0 40 DFAB CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(F)cc2N(C)C)C1=O 89728988 KOZSCQNSIRGYEW-SWLSCSKDSA-N 307.413 2.552 0 40 DFAB C[C@@H](CN1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 195573087 LIYSDZLVMBVRGV-KBXCAEBGSA-N 317.408 2.910 0 40 DFAB COC(=O)c1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 82063165 BAVSJELVCICTGP-RVDMUPIBSA-N 307.305 2.818 0 40 DFAB CC1(C)C[C@@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccccc2O1 96473509 QMVGEEMXRDQOKG-GZBFAFLISA-N 316.401 2.525 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1c1ccc(Cl)cn1 97104427 UVKAKLSXVRGPHN-CYBMUJFWSA-N 305.765 2.613 0 40 DFAB O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1cocn1 1587442262 HFMHLQJXMLCUDE-UHFFFAOYSA-N 323.337 2.994 0 40 DFAB COC(=O)c1cccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1C 96434049 KGDQTOWQXAJGPM-BETUJISGSA-N 302.374 2.901 0 40 DFAB COc1cccc(C2(N)CCN(C(=O)OC(C)(C)C)CC2)c1 96029481 YJFYBXHGLMJUSW-UHFFFAOYSA-N 306.406 2.880 0 40 DFAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)/C=C/c1cccs1 96042002 KBZFVKTXZQKGIE-XGFBJOPDSA-N 307.415 2.556 0 40 DFAB COC(=O)[C@H](C)CN(C)c1nc(C(F)F)nc2ccccc12 96482652 MHSCINAQDMFNPJ-SECBINFHSA-N 309.316 2.813 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccncc2)C12CCCC2 96420288 NOJCBYYZXSIMQB-CVEARBPZSA-N 317.433 2.961 0 40 DFAB CC(C)c1cc(C(=O)NC2CCCC2)nc(N2CCCC2)n1 96101261 AOQLMFXHRKHUQJ-UHFFFAOYSA-N 302.422 2.873 0 40 DFAB Cc1nc[nH]c1CN1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 96076073 VJPLYHIDRCNHHR-SFHVURJKSA-N 314.408 2.708 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 247822730 ICCAWIOUEGFUMQ-LTIDMASMSA-N 305.418 2.528 0 40 DFAB Cc1cncc(C2CCN(C(=O)Cc3cccs3)CC2)n1 257295873 RAFVLXHYHRDTJP-UHFFFAOYSA-N 301.415 2.795 0 40 DFAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2c[nH]cn2)n1 257240713 HUTXXMFRZXMPGD-INIZCTEOSA-N 324.388 2.809 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 257215010 COHVEVAEAXTZLP-INIZCTEOSA-N 312.417 2.527 0 40 DFAB Cc1noc2ncnc(N3CC(Cc4ccc(F)c(F)c4)C3)c12 367147664 TZDADKJSARDLNP-UHFFFAOYSA-N 316.311 2.883 0 40 DFAB O=C(NCCCc1ccccc1)NCC[C@H](O)c1ccoc1 96103322 PNGFTRMXNBLNEW-INIZCTEOSA-N 302.374 2.635 0 40 DFAB COc1ccc(C[C@H](C)N(C)C(=O)CCn2cc(C)cn2)cc1 69582108 QVJHZIWRBYOUMI-HNNXBMFYSA-N 315.417 2.680 0 40 DFAB CCc1sc(C(=O)N[C@@H](C(N)=O)c2ccccc2F)cc1C 72287843 JUAOJBVBWYFTQV-CQSZACIVSA-N 320.389 2.714 0 40 DFAB Cc1nccn1CCNC(=O)C1(c2cccs2)CCCC1 49461017 IJCHWEUKYCPFCU-UHFFFAOYSA-N 303.431 2.881 0 40 DFAB CCCC(=O)NCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 56811645 GTXAJTVRNSTMHP-ZDUSSCGKSA-N 306.406 2.634 0 40 DFAB O=c1cc2c(nn1CC1CCN(C3CCCC3)CC1)CCCC2 585500192 CVBYGHCMSNQGRD-UHFFFAOYSA-N 315.461 2.777 0 40 DFAB NC(=O)COc1cccc(C[S@@](=O)Cc2cccc3ccccc23)c1 97372384 KXZWIUXSAKSEFM-ZDUSSCGKSA-N 353.443 3.153 0 40 DFAB CO[C@H]1CCN(C2CCOCC2)C[C@H]1Cc1ccccc1F 1615140697 VYRMKXOTUJVWPS-QAPCUYQASA-N 307.409 2.884 0 40 DFAB c1ccc(Oc2ncccc2-c2noc(Cn3cncn3)n2)cc1 78774549 KZSHHURCQJXJET-UHFFFAOYSA-N 320.312 2.564 0 40 DFAB O=C(CSc1cccc[n+]1[O-])Nc1ccc2c(c1)CCC2 6943062 FYRZALWTNVYDLK-UHFFFAOYSA-N 300.383 2.540 0 40 DFAB CC(C)(C)CC(=O)N1CCC(Oc2ncc(Cl)cn2)CC1 1888842711 XWVSFZWZTVXOSK-UHFFFAOYSA-N 311.813 2.936 0 40 DFAB Cc1nc(C)c(CN2CCC(COc3cnccn3)CC2)s1 1849877832 ORLIYFYFUXRRAZ-UHFFFAOYSA-N 318.446 2.841 0 40 DFAB CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2C1=O 24020562 PJOCFPZYMAWHCZ-UHFFFAOYSA-N 320.757 2.880 0 40 DFAB CN(C)[C@H]1CCOC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)C1 1565545398 HOYULJOBKPCXIY-FUHWJXTLSA-N 320.477 2.835 0 40 DFAB Cc1csc2ncc(C(=O)Nc3cc(F)ccc3F)c(=O)n12 4121172 GBJMGZBLTVJMDV-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB CCC(CC)CN1CC[C@](Nc2cccc(F)c2)(C(=O)NC)C1 2055747716 ODILCXZHVLPZMB-GOSISDBHSA-N 321.440 2.864 0 40 DFAB Nc1cc(-c2ccco2)nn1-c1nc(O)cc(-c2ccccc2)n1 38486279 HIGCTANUQCQLET-UHFFFAOYSA-N 319.324 2.877 0 40 DFAB O=c1c2ccc(F)cc2ncn1C[C@H](O)c1ccc(Cl)cc1 40489993 YIKKPBMHPGJSNB-HNNXBMFYSA-N 318.735 2.923 0 40 DFAB Cc1nc(-c2cccnc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 31864694 NXOFJHSARIGYCU-GHMZBOCLSA-N 317.414 2.763 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 40510152 BIBZYXIDIBKZEU-PSASIEDQSA-N 300.811 2.590 0 40 DFAB Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 51319546 XSDBIMAJONNBGA-UHFFFAOYSA-N 324.428 2.559 0 40 DFAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(OC(F)F)cc1 32902029 AZGSMNGBYBMEAU-VIFPVBQESA-N 314.332 2.777 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 32980226 JBDQBVNBGAFBHM-UHFFFAOYSA-N 322.408 2.582 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)n3)ccc21 78509898 LOMRDVGUKXYYIY-UHFFFAOYSA-N 315.760 2.896 0 40 DFAB OC1(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCC1 78619143 PLZMFTZSARWTPY-UHFFFAOYSA-N 324.306 2.884 0 40 DFAB C[C@H]1CN(C(=O)CN2CCCCC[C@@H]2c2ccco2)C[C@@H](C)O1 78833548 WSYDRDYQVSJIOT-OWCLPIDISA-N 320.433 2.833 0 40 DFAB CC(=O)O[C@H]1c2ccccc2C(=O)[C@]1(OC(C)=O)c1ccccc1 1578995 PFJGBIQOZIDXTR-RBUKOAKNSA-N 324.332 2.946 0 40 DFAB Cc1ccc(S(=O)(=O)CN2CCC(=O)c3ccccc32)cc1 1723510 SNBOZMMVLKJCPA-UHFFFAOYSA-N 315.394 2.819 0 40 DFAB O=c1cc2c(nn1CN1CC[C@H](c3ccccc3)C1)CCCCC2 79478603 JJTGEXKCXPEMRD-SFHVURJKSA-N 323.440 2.959 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 2619128 IYJJUTJLTPMIFP-UHFFFAOYSA-N 322.455 2.567 0 40 DFAB O=C1CN(C(=O)CSCc2ccccc2)c2ccccc2N1 3601955 BLGFHOUJHYXFRM-UHFFFAOYSA-N 312.394 2.905 0 40 DFAB COc1ccc(CN2CC[C@@H]([C@@H](C)N)C2)cc1Br 97053159 JUGNYOLXLIDYSW-ZYHUDNBSSA-N 313.239 2.627 0 40 DFAB NC1=NC(Nc2ccccc2)=N[P@](O)(Oc2ccccc2)=N1 6616075 YDNJQICWYDZXJX-JOCHJYFZSA-N 315.273 2.800 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)Nc2nncs2)cc1OC 43127783 HGCGHXADFHFNDT-SECBINFHSA-N 322.390 2.828 0 40 DFAB CC(C)Oc1ncccc1N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 94635440 FCHAZTDEGKHTPL-OLZOCXBDSA-N 312.435 2.637 0 40 DFAB O[C@@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1 25165049 RIVCGQUOLXOMIL-CQSZACIVSA-N 306.369 2.653 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccn1 9064060 GIUQEEHGDUVMJX-UHFFFAOYSA-N 301.371 2.525 0 40 DFAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc[nH]c1=O 43505470 MYNTZXXBODIJCK-UHFFFAOYSA-N 310.275 2.666 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCCCCCC1)C2=O 56552746 CNXCDSWCAZVJSI-YOEHRIQHSA-N 307.438 2.711 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)s1 35306738 VUCRIKANHPJHES-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccc(F)cc1F)c1ccccc1 3270446 WZZZQGDQKQVTLE-LLVKDONJSA-N 319.307 2.999 0 40 DFAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccco1 23128064 KTGAPDMRWKTHDC-UHFFFAOYSA-N 304.415 2.983 0 40 DFAB C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)C2CCC2)C1 72291729 LBELUESFRMEJJS-JSGCOSHPSA-N 309.454 2.511 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1ncccc1C(=O)O 3287592 FOKXVWIISHBNCQ-NTZNESFSSA-N 322.430 2.813 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1S(=O)(=O)N(C)C 12680587 OENKICKKAIOMKW-CYBMUJFWSA-N 322.430 2.540 0 40 DFAB CCOc1ccc([C@H]2CCCN2C(=O)NCc2cc[nH]n2)cc1 48273682 XTECQUKMABFGMX-MRXNPFEDSA-N 314.389 2.855 0 40 DFAB CCc1nc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)sc1C 58183954 BIPWYTZARCBUNT-GFCCVEGCSA-N 321.446 2.601 0 40 DFAB COc1ccc(N(C)C(=O)C2=NO[C@@H](c3ccccc3)C2)cn1 58269762 ATLYADGESMEMQE-OAHLLOKOSA-N 311.341 2.571 0 40 DFAB COc1ccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)c(O)c1 58378169 PCUAJUPUWZJNAJ-CYBMUJFWSA-N 314.385 2.656 0 40 DFAB CCCCOc1ccccc1/C=C/C(=O)NCCC(=O)OC 62714955 AAJIWMRWUDAXRM-MDZDMXLPSA-N 305.374 2.558 0 40 DFAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1Cl 10943407 IHGRSUJBXPWJHG-JTQLQIEISA-N 309.797 2.721 0 40 DFAB COC(=O)Nc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 54247879 RSVUDVWZDYDBON-WFASDCNBSA-N 320.389 2.939 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 3391946 GEDMEEXVGRLQED-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C)o2)cc1 3354269 RRVBLIFLSLKRRN-SECBINFHSA-N 305.359 2.700 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2N(C)C1=O 12125908 UZNGQMPTLLIRGV-JTQLQIEISA-N 314.316 2.822 0 40 DFAB CCn1ncc(NC(=O)c2cc(C)c(C)s2)c1C(=O)N(C)C 2731599 KXBHXRXTELYARD-UHFFFAOYSA-N 320.418 2.535 0 40 DFAB CN(CCc1ccccn1)CC(=O)Nc1ccc(Cl)cc1 9118363 NZNAQQQFYXVBOY-UHFFFAOYSA-N 303.793 2.848 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 65494104 HKWZUMFHLHSGNL-ZDUSSCGKSA-N 311.385 2.699 0 40 DFAB CC(C)(C)c1nnc(NC(=O)NC(=O)c2ccccc2)s1 408718044 FGSLGIHPFXCVSW-UHFFFAOYSA-N 304.375 2.798 0 40 DFAB O=C(CNc1cnc2ccccc2n1)N1CCc2sccc2C1 65594632 NCLOZWNJAVCPQM-UHFFFAOYSA-N 324.409 2.688 0 40 DFAB CCc1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 65567351 FZPWQGYZICRJLB-UHFFFAOYSA-N 305.334 2.710 0 40 DFAB CCCc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 14102454 QZKGLAYYKOYGDA-UHFFFAOYSA-N 322.474 2.544 0 40 DFAB CCOc1ccccc1NC(=O)CSc1nncn1C(C)C 5417525 DZDAANUDEJOEGL-UHFFFAOYSA-N 320.418 2.989 0 40 DFAB Cc1cccc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 97142742 QRUWASQGJOEVMC-MRXNPFEDSA-N 311.385 2.865 0 40 DFAB COC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 80328337 BFSVDSLNKDWOEF-SECBINFHSA-N 307.733 2.891 0 40 DFAB CC(=O)c1ccc(OCc2nc3ccccc3n2CCO)cc1 7467051 MBWNJVAUGFUFJI-UHFFFAOYSA-N 310.353 2.810 0 40 DFAB CC(=O)c1cccc(NC(=O)C[C@@H](C)n2nc(C)nc2C)c1 7616317 YXAYOXLHNGNBID-SNVBAGLBSA-N 300.362 2.687 0 40 DFAB Cn1cc(-c2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cn1 96421308 WWNHBXZKMUUTHO-UHFFFAOYSA-N 319.411 2.614 0 40 DFAB C[C@@H](C(=O)NC1CC1)N1CCC(Nc2ccccc2Cl)CC1 69442878 LDQBJNPCVPIUAI-LBPRGKRZSA-N 321.852 2.883 0 40 DFAB COc1cc(C(=O)NCCc2ccco2)cc(Cl)c1OC 17703318 GAHIJOZSMOSXOQ-UHFFFAOYSA-N 309.749 2.923 0 40 DFAB CCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O 8671529 CWORRJDDJDRGOZ-UHFFFAOYSA-N 300.358 2.695 0 40 DFAB Cc1cn2nc(N3CCC[C@@H]3Cn3nc(C)cc3C)sc2n1 69919287 RQCSCVXGANYYHV-CYBMUJFWSA-N 316.434 2.582 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)CO2 92282582 ALPHVULVUZBNIF-AWEZNQCLSA-N 313.401 2.890 0 40 DFAB O=c1[nH]nc(SCCCOc2ccc(F)cc2)n1C1CC1 9722520 GXGSXEFSFYGTBV-UHFFFAOYSA-N 309.366 2.607 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1ccncc1 95402489 UVWULEUMRVGEPR-VBQJREDUSA-N 301.434 2.769 0 40 DFAB C[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1ccncc1 95411048 DNLWTPJJFUQEBO-ZDUSSCGKSA-N 316.430 2.736 0 40 DFAB O=C(CC1(O)CCCCC1)Nc1nc(-c2cccs2)n[nH]1 73337279 FQVJTUDHAUCKDR-UHFFFAOYSA-N 306.391 2.557 0 40 DFAB COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@H](C)C1 95985425 PNWHKVQURDBQCS-QWHCGFSZSA-N 308.397 2.743 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc3ncccc3c1)CC(=O)O2 85876304 HGCPNNGGJIEBQU-ZDUSSCGKSA-N 306.321 2.673 0 40 DFAB biogenic Cc1ccc(CN(C)C(=O)CSc2nncn2C2CC2)cc1 9982859 XSDMDOOMGBRQQI-UHFFFAOYSA-N 316.430 2.672 0 40 DFAB O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCc2[nH]ncc2C1 89858204 UPHHXKRIKQEDNU-QFBILLFUSA-N 307.397 2.589 0 40 DFAB COc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1F 89919903 XHSCFXCTHHFJIE-SRVKXCTJSA-N 310.369 2.714 0 40 DFAB C[C@H](CCc1cccn1C)NC(=O)N[C@H]1COc2ccccc21 76086501 ILWIFZDEEYPMHA-CJNGLKHVSA-N 313.401 2.779 0 40 DFAB COc1ccccc1-c1ccc(N2CC[C@@H](N3CCCC3)C2)nn1 1548510988 OFCBMOZBFUBPED-OAHLLOKOSA-N 324.428 2.827 0 40 DFAB CCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35898000 CASIDTNQSPYCSC-UHFFFAOYSA-N 318.442 2.556 0 40 DFAB O=C1CC[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)N1 127621734 UQZNIGFYPQKPRB-SNVBAGLBSA-N 321.789 2.681 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N1CCC[C@H]2CCCC[C@@H]21 72755999 USTBOSNARHWZEU-KGLIPLIRSA-N 306.431 2.593 0 40 DFAB Cc1nc(-c2ccncc2)sc1C(=O)NCc1cccnc1 31868062 DOSIKFVADJBUDN-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB CO[C@H]1CC[C@@H](NC(=O)Nc2ccccc2-n2ccc(C)n2)C1 189726120 IEAVYSBDTDBPST-KGLIPLIRSA-N 314.389 2.870 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)nn1 72203687 ONLSGHMXZYBRAI-JTQLQIEISA-N 312.801 2.576 0 40 DFAB CC1(C)CC(NC(=O)NCCc2cccs2)CC(C)(C)N1 26180220 LVBFYTZBUWULGL-UHFFFAOYSA-N 309.479 2.899 0 40 DFAB Cn1ccc(-c2noc([C@@]3(C)C[C@@H]3c3ccccc3)n2)cc1=O 561298227 KEMSTHAOXTUJFU-KDOFPFPSSA-N 307.353 2.881 0 40 DFAB C[C@]1(c2ccccc2)CC[C@@H](NCC2CCN(CCO)CC2)C1 187975802 JWLGATTWNVIPRV-UXHICEINSA-N 316.489 2.791 0 40 DFAB Cc1cc(C(=O)N2CCCCC2)nc(N2CCCCCC2)n1 72241523 HBMHSZGARMWLKU-UHFFFAOYSA-N 302.422 2.792 0 40 DFAB Cc1cc(C)cc(OCC(=O)N2CCN=Cc3cc(N)ccc32)c1 73642457 SKMNTGOLJUVOHG-UHFFFAOYSA-N 323.396 2.730 0 40 DFAB O=C(CCn1ncc2c(Cl)cccc21)NCc1ccco1 40759407 JGQKFGKWKOEJKV-UHFFFAOYSA-N 303.749 2.989 0 40 DFAB CC(C)(C)OC(=O)N1CC(Cc2nc(-c3ccccn3)no2)C1 220291963 FYFIPJSBHIYVCS-UHFFFAOYSA-N 316.361 2.541 0 40 DFAB CON(C)C(=O)Nc1cc(I)ccc1C 225407635 NTDMCGYDQZRLHF-UHFFFAOYSA-N 320.130 2.625 0 40 DFAB COc1ccc([C@@H](NC[C@]2(O)CCOC2)c2ccccc2)cc1 225561554 UIMRGRXCUSGSHF-RBUKOAKNSA-N 313.397 2.526 0 40 DFAB C[C@]1(C(=O)NC2CCSCC2)Sc2ccccc2NC1=O 40774202 KUAXFHJUMGQJHV-OAHLLOKOSA-N 322.455 2.501 0 40 DFAB COC(=O)[C@@H](C)SCc1nc(Cc2ccccc2C)no1 80303167 BPHJTEVAZVFDRR-LLVKDONJSA-N 306.387 2.764 0 40 DFAB COC(=O)c1cc(C(=O)OC)c2ccc(Br)cc2n1 91297355 JMAARZWJHGCBDU-UHFFFAOYSA-N 324.130 2.571 0 40 DFAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)o1 96205768 DZIZNESOMVYYLX-MSOLQXFVSA-N 304.434 2.663 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)Cc1cccs1 96431651 QAGWYWOWLMGOJV-LBPRGKRZSA-N 305.399 2.883 0 40 DFAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2occc2C(C)C)n1 331693455 ZIGGFNHKULPBKX-MFKMUULPSA-N 319.361 2.697 0 40 DFAB O=C(O)c1ccc(CN2CC[C@H](c3cccnc3)C2)c(F)c1 580083594 AKWISUIZVIVKGR-AWEZNQCLSA-N 300.333 2.908 0 40 DFAB CN1CCC[C@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)C1 90563066 FULWOHICHVGIAN-CYBMUJFWSA-N 321.852 2.750 0 40 DFAB COc1c(F)cc(NC(=O)N[C@H]2CCCSC2)cc1F 96452189 SDIUGMFABGHGFV-QMMMGPOBSA-N 302.346 2.991 0 40 DFAB c1cncc(OC[C@@]23CCO[C@@H]2CCN(Cc2ccoc2)C3)c1 96110371 SNQMADXINPHOKL-MSOLQXFVSA-N 314.385 2.735 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2ncc(C)o2)cc1 583615614 PYEDFLIGKQPMER-FUHWJXTLSA-N 316.401 2.864 0 40 DFAB COC(=O)[C@H](NCc1cc2ccccc2nc1O)c1ccccc1 237121948 GBUFGZJDFXQNEY-QGZVFWFLSA-N 322.364 2.944 0 40 DFAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CCCC2)CC1 96414628 JMUPIRYOCYSJEQ-HNNXBMFYSA-N 306.450 2.960 0 40 DFAB Cc1ncsc1CNCc1ccc(N2CCOC2=O)cc1 96501566 YZELRAGYMMQVKJ-UHFFFAOYSA-N 303.387 2.698 0 40 DFAB C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@H]1CCC(C)(C)O1 249501963 JBHKORSXPQUKHL-DDUZABMNSA-N 305.418 2.615 0 40 DFAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)CC[C@H]1Cc1ccccc1 242498490 HHYHPYOUGDVSDD-SUMWQHHRSA-N 305.374 2.987 0 40 DFAB O=C1OC2(CCCCC2)CN1c1cnc([C@@H]2CCCN2)cn1 257242510 ICWOXUXIWHEYCJ-LBPRGKRZSA-N 302.378 2.561 0 40 DFAB COCC(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257328406 XFNDYOJZUPPBSM-SCRDCRAPSA-N 309.793 2.602 0 40 DFAB Cc1cccc(N2CCC[C@H](NC(=O)c3cccs3)C2)n1 257311207 UIJZXOPJMWUENV-ZDUSSCGKSA-N 301.415 2.850 0 40 DFAB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)C2(C)CC2)[C@H]1NC(=O)C1(C)CC1 252486301 HZUWVFRSYHUMEA-RDBSUJKOSA-N 320.477 2.870 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)n1 257222388 DTCLSZFQAWCZJV-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccnn3C(C)C)CC[C@@]2(C)C1 257277078 NWIKNZFWJJPITQ-UNEWFSDZSA-N 305.422 2.884 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 257223532 DXUKGTHYTLWPAW-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1C 257299753 RRKQBKRAJIUVAE-AEFFLSMTSA-N 314.429 2.917 0 40 DFAB CC(C)CN1CCO[C@@H](COC(=O)/C=C/c2cccs2)C1 73185183 UDRODDSQWUQJMM-VBROQKIQSA-N 309.431 2.661 0 40 DFAB Cc1cc(C(=O)NCc2ccncc2)c(C)n1Cc1ccccn1 95949238 OPDBDABSCUOMIA-UHFFFAOYSA-N 320.396 2.873 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCc1cc(C2CC2)ncn1 585360485 JZQQQSXEFASJAQ-UHFFFAOYSA-N 317.776 2.946 0 40 DFAB COc1ccnc(C(=O)Nc2ncccc2Br)c1 96449807 DPYORXOSNBVHGD-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB Brc1cc2nc[nH]c2cc1I 307340585 TXJNYEFXBOVTLT-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=N)NC1=O 5027396 GMQPKCSKCODVAV-XFFZJAGNSA-N 318.789 2.973 0 40 DFAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=S)N1 5937272 DCBUHHFGYVKYQQ-CQSZACIVSA-N 322.405 2.962 0 40 DFAB CC[C@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1 12239729 QXLALDRJHZKAJZ-MRXNPFEDSA-N 304.409 2.848 0 40 DFAB COc1ccc2[nH]c(=O)c(CNCc3ccccc3OC)cc2c1 13999227 XUUSHZQTJSTUEW-UHFFFAOYSA-N 324.380 2.835 0 40 DFAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 19118151 FBEJVTVWQPYVKP-NSHDSACASA-N 318.402 2.541 0 40 DFAB Fc1ccccc1-c1nc(N2CCOCC2)nc2c1CCCC2 19368311 YHYGCIAIHVYMKE-UHFFFAOYSA-N 313.376 2.998 0 40 DFAB CNc1cc(CC2CCN(C(=O)c3ccccc3)CC2)nc(C)n1 19758724 QHGZCGHQCKKACS-UHFFFAOYSA-N 324.428 2.922 0 40 DFAB CCc1cccc(C)c1N(C(=O)/C=C/C(=O)O)[C@@H](C)COC 5471645 WVXUZYDBYUGVKH-LXKVQUBZSA-N 305.374 2.566 0 40 DFAB CO[C@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1cccc(F)c1 643914137 MBARKVXOXZOOPZ-AEFFLSMTSA-N 317.408 2.639 0 40 DFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2CCCC2)c1 5636194 GHGFWOSQOMPBBA-UHFFFAOYSA-N 324.446 2.846 0 40 DFAB Cc1nccn1CC1CN(c2ncnc3ccc(Cl)cc23)C1 1889148783 KOVFLFUJXGFAPE-UHFFFAOYSA-N 313.792 2.925 0 40 DFAB COCCCN1CC[C@@H]2CN(Cc3scnc3C)C[C@@H]2CC1 2056223593 UWCMAGKOYVFQBD-IYBDPMFKSA-N 323.506 2.632 0 40 DFAB CN(C)C(=O)CC1CCC2(CC1)CCN(C(=O)C1(F)CC1)CC2 1565548539 ZYYLRKLKWZHKFL-UHFFFAOYSA-N 324.440 2.766 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)c1cccc(Cl)c1 8902653 WIOQINIMVIJPOV-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB COc1ccc(-c2ccc(C)c(NC(=O)C(F)(F)F)c2)nn1 11694176 SPCLALZOPKLGPI-UHFFFAOYSA-N 311.263 2.961 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1csc(Nc2ccccc2)n1 23136758 NBMNQTQSJQDCHA-LBPRGKRZSA-N 303.387 2.796 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccc(C(C)(C)C)nn2)C1 2086881979 PWDXXQAXKLKALX-LBPRGKRZSA-N 304.438 2.515 0 40 DFAB CO[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccco1 206864091 UDTNVTDJWZVFOV-LBPRGKRZSA-N 315.778 2.599 0 40 DFAB CSc1ncccc1C(=O)NC[C@H](O)c1sccc1C 77172064 CHFBNJZIOILIDK-NSHDSACASA-N 308.428 2.637 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2cnccn2)C1 6747291 XURSWGMUWBRLML-LBPRGKRZSA-N 316.792 2.985 0 40 DFAB COc1ccc(Cn2nc(-c3ccccc3OC)ccc2=O)cc1 40268199 RXKZJMZHQBHWKK-UHFFFAOYSA-N 322.364 2.976 0 40 DFAB CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 40309122 NEWZPHIQMNEGAT-ZDUSSCGKSA-N 322.792 2.910 0 40 DFAB biogenic O=C(CCn1cncn1)Nc1cccc(OC2CCCC2)c1 31206993 NBYQBPCISAOSBE-UHFFFAOYSA-N 300.362 2.628 0 40 DFAB COc1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cn1 50766736 QFCQCESVVLTWOB-UHFFFAOYSA-N 313.332 2.683 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Nc1c(CC)cccc1CC 40477716 RCFJNUUJPJYDHX-GFCCVEGCSA-N 305.422 2.848 0 40 DFAB Cc1cnc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cn1 40497436 JUTFQLFHCHXBAB-OAHLLOKOSA-N 313.357 2.595 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCCc2ccccc21 40548615 UPHQUFYELPPXQV-HIFRSBDPSA-N 300.402 2.518 0 40 DFAB COC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1C 385042 RZYOZPNKPDEZNG-UHFFFAOYSA-N 324.340 2.858 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)c2cccc(F)c2)c1 32794619 VOXNDMBKEZHDON-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB C[C@@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1ccco1 32873582 MBENKFSHRXLXQH-SECBINFHSA-N 318.358 2.627 0 40 DFAB CN(C)CCOC(=O)[C@@H]1CC2=C(C[C@H]1C(=O)O)C(C)(C)CCC2 517954 PKMWXNTYYZTJQQ-ZIAGYGMSSA-N 323.433 2.709 0 40 DFAB biogenic Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 41817536 YDHMQDSYLCOPDZ-LBPRGKRZSA-N 305.378 2.728 0 40 DFAB COc1ccc(OC)c(CCNc2nn3cc(C)nc3s2)c1 53582759 AZKAJFSMZWSZFC-UHFFFAOYSA-N 318.402 2.771 0 40 DFAB C[C@H](NC(=O)Nc1nccs1)c1ccc2c(c1)CC(=O)N2 47155237 YMKDCTUSYNYRDQ-QMMMGPOBSA-N 302.359 2.520 0 40 DFAB O=c1[nH]c2ccsc2c(=O)n1-c1cccc(C(F)(F)F)c1 248548 ITZQRHJUZJIJSA-UHFFFAOYSA-N 312.272 2.759 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)/C=C/c1ccccc1Br 37410449 NAQYUCCGCCODKB-ABZNLYFFSA-N 324.174 2.538 0 40 DFAB COc1ccccc1CCNC(=O)c1ccc(-n2cccn2)cc1 22654601 NHMZGVUFSNWDSD-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB Sc1nnc(-c2ccco2)n1-c1ccc2c(c1)OCCO2 8997648 PCEBFLJWTODZGD-UHFFFAOYSA-N 301.327 2.587 0 40 DFAB O=C(CNc1ccc(F)c(F)c1F)NCc1cccs1 22907434 OLKBRPGGYIILOG-UHFFFAOYSA-N 300.305 2.894 0 40 DFAB CC(=O)N1CCc2cc(C(=O)Oc3ccc4[nH]ncc4c3)ccc21 79075485 IEJFCATXDPOBTR-UHFFFAOYSA-N 321.336 2.691 0 40 DFAB CC(C)CCN1CCC(CNC(=O)c2ccncc2F)CC1 79656499 KJOPOUUZEGVEHB-UHFFFAOYSA-N 307.413 2.709 0 40 DFAB CC(C)(C)[C@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)C1 3905139 VEWRWSHDMJYSEX-RRUGBERISA-N 301.386 2.858 0 40 DFAB CC(=O)c1ccc(OCCCC(=O)/N=c2/sccn2C)cc1 104999932 OAHSNHVRPGCFSA-WUKNDPDISA-N 318.398 2.576 0 40 DFAB O=C(Nc1nn2c(-c3ccco3)nnc2s1)C1CCCCC1 6818207 PILNZVLYUYQKOP-UHFFFAOYSA-N 317.374 2.965 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2F)nc1 24426959 BGQYSTIBXJBBNF-UHFFFAOYSA-N 308.696 2.913 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)NCCn1ccnc1 43311314 LWPVTPGHFJFJLF-ZDUSSCGKSA-N 304.419 2.664 0 40 DFAB O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Oc2cccnc2)cc1 57554981 XUOBAJFSIBFUCR-HNNXBMFYSA-N 323.396 2.840 0 40 DFAB c1ccc(OCC2CC2)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 95457734 HHACAPALMWUBJV-HKUYNNGSSA-N 317.429 2.903 0 40 DFAB CC[C@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1OC 58296294 KAPYMMIWNNLWAQ-ZFWWWQNUSA-N 300.406 2.674 0 40 DFAB Cc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)no1 58223073 OPFFFWKNCNIZBB-LLVKDONJSA-N 302.378 2.802 0 40 DFAB CSCc1nnc(SCc2cccc(C(=O)N(C)C)c2)o1 58209191 NIFBQEVAIPBGFL-UHFFFAOYSA-N 323.443 2.927 0 40 DFAB CCc1nc(CSc2nnnn2-c2ccc(O)cc2)cs1 12757437 IXFGNLTUUCYHGL-UHFFFAOYSA-N 319.415 2.679 0 40 DFAB COc1cc(C(=O)Nn2cnc3ccccc32)cc(OC)c1C 28818868 YDIPXWZHOMVIQT-UHFFFAOYSA-N 311.341 2.746 0 40 DFAB CCOc1ccc(CNCCS(=O)(=O)c2ccccc2)cc1 48341060 LNDOWMLHFUTCHA-UHFFFAOYSA-N 319.426 2.649 0 40 DFAB COc1ccc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)cc1Cl 84714791 QMYFJSLMRNROMA-ABAIWWIYSA-N 310.825 2.695 0 40 DFAB CCOC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)(F)F 2537025 YMQLVZHHLOBRQO-ZJUUUORDSA-N 303.284 2.757 0 40 DFAB O=C1CCc2c(OS(=O)(=O)c3cccc(F)c3F)cccc21 60357281 POKWMSULYQWTFG-UHFFFAOYSA-N 324.304 2.861 0 40 DFAB Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1F 60362522 DSEVBWXIYQGANM-QGZVFWFLSA-N 324.359 2.897 0 40 DFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC2(Cl)Cl)cc1C 3425351 HWTNHPCNJBSKER-NSHDSACASA-N 316.184 2.979 0 40 DFAB CC[C@H]1CO[C@@H](C)CN1Cc1nc(-c2ccc(OC)cc2)no1 12985662 QFDZKZJEMHWWLB-JSGCOSHPSA-N 317.389 2.745 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 13006180 IOGLTEVSKCMRML-LBPRGKRZSA-N 315.394 2.682 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N1CCC(CCc2ccccc2)CC1 9154414 OZPBQGZIOHHWIT-UHFFFAOYSA-N 310.397 2.860 0 40 DFAB O=C(NCCC(F)(F)F)c1c[nH]nc1-c1ccccc1F 87410594 TXYBFPLPTMSYQX-UHFFFAOYSA-N 301.243 2.898 0 40 DFAB O=C(CCc1ccccc1Cl)N[C@H]1CCc2nccn2C1 97197837 HDDCLIITCGSBHT-ZDUSSCGKSA-N 303.793 2.600 0 40 DFAB Cc1nnc(SCC(=O)N[C@H](C)C(C)C)n1-c1ccccc1 6109183 GNSSKJOJIWPUDQ-GFCCVEGCSA-N 318.446 2.829 0 40 DFAB CCO[C@@H]1C[C@@H](N2CCN([C@@H](C)C(F)(F)F)CC2)C12CCC2 96009229 TYPYTLPRRAWMTL-BFHYXJOUSA-N 320.399 2.903 0 40 DFAB O=C(CCn1cnc2ccccc21)Nc1ccc2c(c1)OCCO2 5209072 CXRKRXZZZMATOQ-UHFFFAOYSA-N 323.352 2.836 0 40 DFAB CCOC(=O)c1nc(CN2CCC[C@H]2c2ccc[nH]2)cs1 65520866 WJYSBYVVROMYEV-ZDUSSCGKSA-N 305.403 2.985 0 40 DFAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 5392338 MAPZVGAGZNCVAU-QGZVFWFLSA-N 310.397 2.552 0 40 DFAB COc1ccc(NC(=O)COc2ccc(F)cc2)c(OC)c1 14738018 SYWOSCVFLFGEEU-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB CCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O 6754761 AHJOGLQJUPBXIN-UHFFFAOYSA-N 314.772 2.885 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)n1 4861719 TUEBAMUUEKNTRR-UHFFFAOYSA-N 323.462 2.511 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)OCCCO2 6879868 YZIWMKMNSZIDNR-UHFFFAOYSA-N 302.330 2.634 0 40 DFAB O=C(Nc1ccc2c(c1)OCCCO2)c1n[nH]c2ccccc12 9465744 JTMNZDNHWRENDJ-UHFFFAOYSA-N 309.325 2.977 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCO2)cc1OC 71795607 HWUSIZYBAZGGSB-DZGCQCFKSA-N 305.374 2.546 0 40 DFAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(C(C)C)c2)o1 72300143 QACGXNBEULCJOF-AWEZNQCLSA-N 323.418 2.891 0 40 DFAB CN1CCC(N(Cc2ccccc2F)C(=O)c2ccc[nH]2)CC1 68392679 UJLAONFAGPEJMY-UHFFFAOYSA-N 315.392 2.890 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)c1 71866098 AEWOWTCGWZZVSH-KSZLIROESA-N 324.428 2.771 0 40 DFAB CC(C)c1nc2n(n1)C[C@@H](NCc1nc3ccccc3o1)CC2 71871790 JKIWZZXJCWQCRU-LBPRGKRZSA-N 311.389 2.647 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)N1CCC(NC2CCCC2)CC1 71897333 QIFIUZYXBMLJMO-AWEZNQCLSA-N 309.498 2.676 0 40 DFAB Cc1ccc(C)c(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 19959495 AGNQLEKVFIWQQW-UHFFFAOYSA-N 320.396 2.998 0 40 DFAB O=C(Nc1ccncc1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 69419952 VLDFYLVTEJMSFU-MRXNPFEDSA-N 324.384 2.508 0 40 DFAB O=C(c1cccc(CNCc2cccc(O)c2)c1)N1CCCC1 69561049 KKFRIMXXMMYBFP-UHFFFAOYSA-N 310.397 2.918 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCOCC1 95426250 BFKAHWKQDJLVGB-ZFWWWQNUSA-N 310.438 2.593 0 40 DFAB C[C@H](O)CNC(=O)c1c(-n2cccc2)sc2c1CCCC2 96968425 MTWCMRVYDRHANP-NSHDSACASA-N 304.415 2.528 0 40 DFAB COCCOc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1F 97085252 SOIJDKOIJBNPIE-UHFFFAOYSA-N 320.345 2.816 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cnn(-c2ccccn2)c1 97031946 HVYVAYROJPDQRH-LLVKDONJSA-N 324.388 2.740 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 95969936 VHEKDLVDFJJOPP-LLVKDONJSA-N 316.357 2.508 0 40 DFAB CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](O)C1 74539691 POGOPAHXQRKOFY-SJORKVTESA-N 304.434 2.954 0 40 DFAB COC[C@@H]1CCCN(C(=O)c2ccc(F)cc2OC(F)F)C1 75103954 RFBVZALSHOYXNJ-SNVBAGLBSA-N 317.307 2.926 0 40 DFAB CCc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)nc(C)n1 89917014 IPNSWGKYILFNDA-UHFFFAOYSA-N 324.384 2.509 0 40 DFAB CCc1ccc(NC(=O)N(C)[C@@H](C)C[S@](C)=O)cc1F 120050759 CFIOAYLLFKUIDR-WVDJIFEKSA-N 300.399 2.619 0 40 DFAB COc1cccc(C(=O)Nc2cccc(-c3nncn3C)c2)c1 32028930 ZLEDATLPLDZDDT-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB Cc1cc(C)n(-c2cccc(C(=O)NCc3ccncc3)c2)n1 72403813 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CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H]2CCCc3cccc1c32 195549919 FMZFWXOWLBQHGL-DUVNUKRYSA-N 307.459 2.964 0 40 DFAB COc1cnc(O[C@@H]2CCN(Cc3cccc(Cl)c3)C2)nc1 1203803052 OFVXJSYSGOYKOG-CQSZACIVSA-N 319.792 2.792 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)Cc1ccsc1 195551282 GNPYXWNMURPIBD-CQSZACIVSA-N 303.383 2.931 0 40 DFAB Cc1cc(C)c(C(=O)NCCSc2ccccc2F)c(=O)[nH]1 81400942 IRDUTKDNSVHVOA-UHFFFAOYSA-N 320.389 2.653 0 40 DFAB Cc1ccnc(N2CCN(c3ccnc4ccccc34)CC2)n1 583503868 SXIGAOIXBJLDHV-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB Ic1ccc([C@H]2CCOCCO2)cc1 95704899 UBIBSFQVYXNFJL-LLVKDONJSA-N 304.127 2.769 0 40 DFAB Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 95447588 OVMYIARHLPATNH-CYBMUJFWSA-N 301.365 2.861 0 40 DFAB CCNc1nc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cs1 96495437 UPWLMQCHQHYYAC-TVQRCGJNSA-N 323.393 2.566 0 40 DFAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1nnc(C2CCC2)o1 96410337 PGJHBQMTZIQEDZ-NSHDSACASA-N 324.425 2.682 0 40 DFAB CCn1ccnc1[C@H]1CCCCN1C(=O)NCCc1ccco1 581733919 PAQBOMZZKZYTQQ-OAHLLOKOSA-N 316.405 2.975 0 40 DFAB COc1ncccc1CN1CC[C@@H](OC)[C@@H]1Cc1ccccc1 96261245 DMENEVJYCPXZDI-ZWKOTPCHSA-N 312.413 2.922 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1C=CCC1)C2 96039455 PUHMJKCLDCQMOP-LZLYRXPVSA-N 307.434 2.777 0 40 DFAB Cc1ccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)o1 96047152 QZLKWPQLAFQNOT-SFHVURJKSA-N 312.417 2.871 0 40 DFAB COCCOc1cc(C(=O)N2C[C@@H](C)c3ccccc32)ccn1 95464308 JKJUNRFXLAQQAH-CYBMUJFWSA-N 312.369 2.871 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@@H](C)c1cncnc1 330279007 QJLVESKSYKCRJG-ZDUSSCGKSA-N 311.385 2.958 0 40 DFAB CCSc1cncc(N[C@@H](C)c2nnc3ccccn23)n1 96453386 NJSYIHRAOWYVPD-JTQLQIEISA-N 300.391 2.804 0 40 DFAB CCCCc1nc(CN2CCC[C@H]2c2cncc(NC)n2)c[nH]1 257257573 KQFIFMLYJAJSJU-HNNXBMFYSA-N 314.437 2.921 0 40 DFAB C[C@@H](NCc1ccnn1C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 183704787 SYLQBWGYHNFEFT-HIFRSBDPSA-N 322.453 2.688 0 40 DFAB CNc1cc([C@H]2CCCN(Cc3c(C)nn(C)c3C)C2)ccn1 257339749 ZDANEQYRPZHAHO-INIZCTEOSA-N 313.449 2.853 0 40 DFAB CCc1nccn1CC(=O)N1CCC[C@H](c2ncc(C)s2)C1 257304269 SKVDVZUAWHMXFN-ZDUSSCGKSA-N 318.446 2.617 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2ccc(-c3cnc(C)n3C)nc2)C1 585260983 CEIXFMTVFQDVOQ-INIZCTEOSA-N 312.417 2.592 0 40 DFAB COc1cc(NCc2ncc(Cl)n2C)cc(OC)c1OC 37301641 IINZINJUPHSJCM-UHFFFAOYSA-N 311.769 2.711 0 40 DFAB CC(C)CNC(=O)Nc1cccc(OCCn2cccn2)c1 47791619 CADHOPUFHQDLJJ-UHFFFAOYSA-N 302.378 2.740 0 40 DFAB Cc1ccc(CN(C(=O)c2ccc(C(N)=O)cc2)C(C)C)o1 58216628 XZOQPOYUDRYVIE-UHFFFAOYSA-N 300.358 2.738 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N(C)c2ccc(F)c(F)c2)c1C 56226326 SOLSQROSCDVJJG-UHFFFAOYSA-N 322.311 2.973 0 40 DFAB CN1CCCC[C@@H]1CCOC(=O)c1ccc(-n2cccn2)cc1 78253989 XBFBTBILPWLAJW-MRXNPFEDSA-N 313.401 2.904 0 40 DFAB Cc1oncc1C(=O)NCC1(c2cccs2)CCOCC1 96025721 RUYXYQFEWHREME-UHFFFAOYSA-N 306.387 2.523 0 40 DFAB COc1ccc([N+]2=C3CCc4ccccc4N3C[C@@]2(C)O)cc1 13152742 MEQQQFZJDYCQGO-LJQANCHMSA-N 309.389 2.913 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3[C@@H]3C[C@H]23)cc1 13510804 BHUWYHGAMQJNGC-VBYGDGQVSA-N 309.365 2.643 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 14257626 WJNGLTODOVUIMZ-FNORWQNLSA-N 318.354 2.520 0 40 DFAB C[C@H](NS(=O)(=O)N[C@H](C)c1ccccc1)c1ccccc1 16576951 ZUMVQOILJDLACR-OKILXGFUSA-N 304.415 2.933 0 40 DFAB Cc1cc(C)cc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 19959505 KRAMCAVAPLCPKE-UHFFFAOYSA-N 320.396 2.998 0 40 DFAB COc1cccc(/C=c2\sc3nc4cc(C)ccc4n3c2=O)c1 5818476 LNMPBRUCZVOZQE-YBEGLDIGSA-N 322.389 2.774 0 40 DFAB O=C(NC[C@]1(O)C=CCCC1)c1ccc(OC(F)(F)F)cc1 606440867 XUBDEKPTDDNQTC-AWEZNQCLSA-N 315.291 2.786 0 40 DFAB COc1cccc(C[C@@H]2COCCN(Cc3ccccn3)C2)c1 1848355594 LUNSDMBZFPJJCA-KRWDZBQOSA-N 312.413 2.781 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 6839485 ADIYCPNOSVCNLI-UHFFFAOYSA-N 303.383 2.676 0 40 DFAB Cc1ccnc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c1 15940616 YJRYSCSDFRASLO-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB O=C(c1ccoc1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 245026727 NIKFICAKPPYVOB-LSDHHAIUSA-N 309.325 2.686 0 40 DFAB O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(CC1CC1)C2 108536620 AQOWBEHWOXOZHV-GOEBONIOSA-N 312.404 2.803 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)c3snnc3C)no2)cc1 38752627 GQYROOGTNNQERV-UHFFFAOYSA-N 314.370 2.740 0 40 DFAB Cc1ccc(CC(=O)Nc2nnc(-c3ccccn3)o2)c(C)c1 44302684 PBVOUOJKVPBGHJ-UHFFFAOYSA-N 308.341 2.930 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)cc1 50768223 RXUHOUQUXFMQKL-KRWDZBQOSA-N 324.424 2.789 0 40 DFAB Cc1cc(NC(=O)CN(C)Cc2ccc(F)cc2Cl)no1 40477311 JWYCXRNKODZXBR-UHFFFAOYSA-N 311.744 2.846 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)CC(=O)N2 40553607 HBMSGKZENKPCJD-MRVPVSSYSA-N 304.733 2.919 0 40 DFAB c1ccc(-c2nnc(CN3CCC[C@@H](N4CCCC4)C3)o2)cc1 40555447 MCZSIVZWBZQCOM-MRXNPFEDSA-N 312.417 2.797 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 21278020 BTFSLUDDPFONIT-INIZCTEOSA-N 312.369 2.623 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 41127759 BNADZCYPLGJIOJ-NSHDSACASA-N 318.373 2.502 0 40 DFAB NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 58516 NBTRTDRPWIOOKJ-KRWDZBQOSA-N 312.394 2.560 0 40 DFAB CC(=O)Nc1cc2c(C)cc(=O)oc2c2c(OC(C)=O)coc12 82038 HBTFODIVEKCYKW-UHFFFAOYSA-N 315.281 2.731 0 40 DFAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 269662 ZFKKFYFTGRHWSA-CZUORRHYSA-N 308.447 2.858 0 40 DFAB CCn1c(SCC(=O)OC)nnc1-c1cccc(Cl)c1 574189 ZINNBNYGGOCTAU-UHFFFAOYSA-N 311.794 2.884 0 40 DFAB C[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1nnc2n1CCCC2 78890279 ZKVBKQROGWIYBN-WDEREUQCSA-N 318.425 2.707 0 40 DFAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(-n2cnnn2)ccc1F 79479172 YHIPOOZHGMZYHX-UHFFFAOYSA-N 322.303 2.535 0 40 DFAB CCc1noc([C@@H](C)N2CCN(c3ccccc3OC)CC2)n1 42651706 PNPIPHZAKIWGKA-CYBMUJFWSA-N 316.405 2.524 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 6067774 CEMLAYQDMWFPDU-SMVYYTPKSA-N 306.446 2.930 0 40 DFAB O=C1c2ccccc2C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 7339397 ZTTGHKUSQTZZIF-UHFFFAOYSA-N 324.380 2.732 0 40 DFAB O=C(C[C@H]1CCCO1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 106153417 GFEKUUHKSGKSGP-CZUORRHYSA-N 322.836 2.852 0 40 DFAB Cc1nc2ccccc2n1C1=CC(=O)N(c2ccccc2)C1=O 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COc1ccc(NS(=O)(=O)c2ccccc2C)cc1OC 4660756 PCFDESRSOJUOQW-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 5676244 RTUZYSXIQPAXEX-UHFFFAOYSA-N 305.280 2.917 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)o2)C1 4836054 YEXFOJWWBIGQPV-SNVBAGLBSA-N 307.375 2.680 0 40 DFAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@H](c2ccc(F)cc2)C1 71798158 IDLWVGWNPXHEOH-MRXNPFEDSA-N 315.348 2.640 0 40 DFAB Cc1ccc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)s1 7391424 XRTHDJGHURDITN-CQSZACIVSA-N 318.350 2.622 0 40 DFAB C[C@@H]1CN(C(=O)c2ccnc(Cl)c2)c2ccccc2NC1=O 96418384 AAJKZMKDGHZATG-SNVBAGLBSA-N 315.760 2.970 0 40 DFAB COC(=O)c1cc(Br)ccc1NC(=O)C1CCC1 7751949 GKZRSEFXVWDTGX-UHFFFAOYSA-N 312.163 2.974 0 40 DFAB O=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cccs1 81270539 SYSREALXNUMKLT-SNVBAGLBSA-N 311.353 2.607 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 8219312 BRUNBKBMAWYXKS-GOEBONIOSA-N 316.445 2.771 0 40 DFAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCCC[C@H]1Cn1cccn1 70041001 BNNDOJMTMMYPFA-DOMZBBRYSA-N 316.405 2.673 0 40 DFAB COc1ccc(CCNC(=O)c2cncn2-c2ccccc2)cc1 17154808 TXQFBGWDAJFWFF-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB C[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1cccc(F)c1 71859107 CZWCUUYDYYPAEQ-GTJPDFRWSA-N 311.422 2.912 0 40 DFAB Cc1c(C(=O)N2CCSCC2)cnn1-c1ccc(F)cc1F 71821001 KEUVZXVCBRZUGR-UHFFFAOYSA-N 323.368 2.648 0 40 DFAB Cn1cc([C@@H]2CCCN2C[C@H](O)c2ccc(F)c(F)c2)cn1 69659036 MFTIISYDWZSPAN-HOTGVXAUSA-N 307.344 2.569 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@H]1[C@@H]1CCCN1C(C)=O 71880417 LPEIQZJBGWUVHE-IRXDYDNUSA-N 320.408 2.810 0 40 DFAB CCCn1ccnc1SCC(=O)Nc1ccc2c(c1)OCO2 8718592 GIPOYGNXQVVRAY-UHFFFAOYSA-N 319.386 2.753 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 8726442 ZZTLSOCIEMHINT-UHFFFAOYSA-N 323.304 2.832 0 40 DFAB O=C1C[C@@H](C(=O)NCCc2cccs2)c2ccc(F)cc2N1 8752013 MSEQVABLYUHUMN-CYBMUJFWSA-N 318.373 2.672 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)[C@H](C)C(=O)O 95428070 RGQYYTNDIFAVNX-LLVKDONJSA-N 307.781 2.739 0 40 DFAB CN(CCc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 71907753 JHPCENOQCCYPFY-QGZVFWFLSA-N 303.427 2.501 0 40 DFAB CC(C)N(CCNC(=O)N[C@H](c1nccs1)C1CC1)C1CC1 95404592 BOBWABLQXHOMNR-AWEZNQCLSA-N 322.478 2.766 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(C)cn2)cc1 97099074 VFUVXJDZPBYMMP-HNNXBMFYSA-N 318.442 2.650 0 40 DFAB CC(C)(C)Oc1ccc(CNC(=O)NCc2ccccn2)cn1 97047673 BOEJXJBLLRWCLG-UHFFFAOYSA-N 314.389 2.653 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)N[C@H]3CCC[C@H]3O)c2)o1 72292069 GJHDWQFIWGPUAR-UONOGXRCSA-N 301.346 2.685 0 40 DFAB Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(C)cc(C)n2)c1 97114334 JXCTWZLIMHVQEG-UHFFFAOYSA-N 311.794 2.856 0 40 DFAB Cn1ccc(CN2CCC(COC3CCCC3)CC2)cc1=O 95951769 PQVAPWJAMCJJDT-UHFFFAOYSA-N 304.434 2.557 0 40 DFAB O=C(Nc1cccnn1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984834 IGJGJIQTXJILBR-TZMCWYRMSA-N 318.764 2.782 0 40 DFAB O=C(c1ccnn1C1CCCC1)N1CCO[C@H]2CCCC[C@H]21 95967298 CDSJLKNOWZOOLP-ZBFHGGJFSA-N 303.406 2.782 0 40 DFAB O=C(Cn1cnc2ccccc21)NCc1cnc2ccccc2c1 95956377 CYXLDGNOVXQERS-UHFFFAOYSA-N 316.364 2.901 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCSCC1 89830096 ZXQVLVITMUPUED-LBPRGKRZSA-N 318.364 2.918 0 40 DFAB CC(C)SCc1cccc(NC(=O)NCCc2nc[nH]n2)c1 89891009 TYLVPNVHGBEJSL-UHFFFAOYSA-N 319.434 2.811 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1nc(C(C)(C)C)no1 89948715 FIYVQIPPJVXJBH-IACUBPJLSA-N 322.453 2.665 0 40 DFAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)n1 72368524 ZXKSCBCYQFPHQL-AWEZNQCLSA-N 320.396 2.673 0 40 DFAB C[C@H](NC(=O)CN(C)C(=O)Oc1ccccc1)c1ccccc1 409004170 WTSUDNCDLQCDIM-AWEZNQCLSA-N 312.369 2.995 0 40 DFAB CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC 409037363 NDDILZAXPQGGBQ-XFXZXTDPSA-N 320.414 2.514 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 32585481 COPFQRMZESCCIX-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB C[C@@H](CN1CCC(N2CCNC2=O)CC1)c1cccc(Cl)c1 189505358 RZRPLJTTWYBWJH-ZDUSSCGKSA-N 321.852 2.933 0 40 DFAB Cc1ccc(-c2onc(C)c2C(=O)NC[C@@H]2CCCO2)cc1 35672341 KHGDHTPAFLRDRM-AWEZNQCLSA-N 300.358 2.867 0 40 DFAB Cc1cc(N2CCN(Cc3ccccc3Cl)CC2)ncn1 152983203 ODHRDHJUOXMETH-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)O)cc1 49544121 GPKPGDCSLMWSHK-GFCCVEGCSA-N 313.357 2.810 0 40 DFAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CC1 225437062 WUCZOEQZOJAQIC-QMMMGPOBSA-N 306.749 2.941 0 40 DFAB biogenic,in-vitro CCCCOCc1cc(C(=O)N[C@H](C)COC)ccc1OC 224443849 PHSDDVUXBHXEQI-CYBMUJFWSA-N 309.406 2.777 0 40 DFAB C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)NC(C)(C)C 40062446 LCVDRFUHNHFFFQ-LLVKDONJSA-N 303.406 2.750 0 40 DFAB CCc1ccc(OCCNC(=O)Cc2ccc(OC)cc2)cc1 224390531 HWHNVMIDXLHMRQ-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB Cc1nc(Cc2noc([C@H]3C[C@H]3c3ccc(F)cc3F)n2)no1 193160766 KDYRSNUIGKKJGD-QWRGUYRKSA-N 318.283 2.901 0 40 DFAB COCC[C@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220216 IQUIUEPQJXYQPC-OAHLLOKOSA-N 323.458 2.725 0 40 DFAB c1ccc(CCc2nc3nccc(-c4ccccn4)n3n2)cc1 95478051 WGMXCQNKZSMPCA-UHFFFAOYSA-N 301.353 2.972 0 40 DFAB CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H]2CCCOC2)cs1 96431529 KOKDKIFRNHMCLN-NWDGAFQWSA-N 312.435 2.626 0 40 DFAB CCn1nc(C)cc1C(=O)NC[C@H](C)Oc1cccc(F)c1 96425909 OPRDUVWNDRWKFF-LBPRGKRZSA-N 305.353 2.548 0 40 DFAB Cc1cc(C)cc(CNc2ccc(S(=O)(=O)CCO)cc2)c1 97096554 OXSUSYOGIUPTKP-UHFFFAOYSA-N 319.426 2.682 0 40 DFAB O=C(OC1([C@@H]2CCOC2)CC1)c1cnn(Cc2ccccc2)c1 96442328 NOKQAKJDLTXCLK-MRXNPFEDSA-N 312.369 2.657 0 40 DFAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CCC2(CCCC2)CC1 96437206 GBYDFPBLUDCUOU-KRWDZBQOSA-N 322.493 2.962 0 40 DFAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1nc(C(C)(C)C)no1 96432769 WTJNVEWMMZKRNW-WSKFYRRCSA-N 300.362 2.653 0 40 DFAB CCO[C@H]1C[C@@H](N(C)CC2CCN(C(C)=O)CC2)C12CCCC2 96419714 UXEORFMZDCXNKI-MSOLQXFVSA-N 322.493 2.915 0 40 DFAB COCCN1C(=O)CC[C@@]12CCCN(Cc1cccs1)CC2 96047512 INMDYYABJYAFOP-QGZVFWFLSA-N 322.474 2.742 0 40 DFAB CN(C)c1cc([C@H]2CCCN(Cc3nccs3)C2)ccn1 257293962 QRWMOUPNLNXQJQ-AWEZNQCLSA-N 302.447 2.984 0 40 DFAB COc1ccccc1CN1CCC[C@H](Cc2nccnc2N)C1 257339962 ZDXUPLYQMVKWEI-CQSZACIVSA-N 312.417 2.522 0 40 DFAB Cc1nc([C@@H]2CCCCN2C2CCCC2)ncc1C(=O)N(C)C 257233191 GOFDIGFEALOVOF-INIZCTEOSA-N 316.449 2.956 0 40 DFAB COc1ccc(C2(CNC(=O)Cc3cccnc3)CCC2)cc1 390833837 NTUQRGKHZZIRCW-UHFFFAOYSA-N 310.397 2.871 0 40 DFAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)C3CCC3)C2)cc1 585274374 JYEQBHSUDCOHBB-SFHVURJKSA-N 303.402 2.527 0 40 DFAB O=C1N(CC2CCCCC2)C[C@@]12CCCN(C[C@H]1CCCO1)C2 585099331 FKXXHKVAJVMUNW-MJGOQNOKSA-N 320.477 2.670 0 40 DFAB COC1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 71798150 JFKLLXWGLUNHPD-UHFFFAOYSA-N 306.387 2.963 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)no1 72275541 JLNSNFDMDDMBHP-NSHDSACASA-N 304.350 2.509 0 40 DFAB COC(=O)[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)C1CC1 72305439 WQSFKHMOUXHCJM-CYBMUJFWSA-N 320.776 2.513 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1c(C)cccc1C(=O)O 54392575 ZBPSHBGYFHPBHL-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CCc1cc2c(N3CCC[C@H]3C(=O)NC3CC3)ncnc2s1 40511173 CAWOSRGTPBMBEZ-ZDUSSCGKSA-N 316.430 2.501 0 40 DFAB O=C(Nc1ccccc1Cn1cncn1)c1ccc(F)c(F)c1 40556143 GAHQJSYZXIHSLP-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB O[C@@H](Cn1ccnc1-c1ccncc1)c1ccc(F)cc1F 76082633 ZPJUFNIJNYXQAO-HNNXBMFYSA-N 301.296 2.957 0 40 DFAB Cc1nccc([C@@H]2CCCN(CC(=O)Nc3ccccc3C)C2)n1 585145872 RJEJSFZDWKTTIM-MRXNPFEDSA-N 324.428 2.912 0 40 DFAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OC(C)C 72118 FILXBNBOVBFLHL-IZZDOVSWSA-N 324.764 2.706 0 40 DFAB CCn1c(SCC(=O)Nc2cccc(C)n2)nnc1C(C)C 410482 UKASSZPOTKQLMC-UHFFFAOYSA-N 319.434 2.856 0 40 DFAB CN1C(=O)C(C)(C)[C@]2(SC(C)(C)C2(C)C)N(C)C1=S 5722288 LKPYZJWBTVTLCQ-CQSZACIVSA-N 300.493 2.949 0 40 DFAB Cc1cc(CN2CCC(O)(c3cccnc3F)CC2)oc1C 19119638 JCMRYIFJPJIAFM-UHFFFAOYSA-N 304.365 2.914 0 40 DFAB Cc1nccn1CCCNC(=O)c1ccc(N2CCCC2)cc1 19288152 BKSSGQAHKDRMGP-UHFFFAOYSA-N 312.417 2.612 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccccn2)CC1 1848585786 QMXNTQYVNBWICI-UHFFFAOYSA-N 317.824 2.626 0 40 DFAB Cc1ccnc([C@]2(C)CCCN2C(=O)Cc2csc(C)n2)n1 607853340 LOFDNWMNFCUKFQ-INIZCTEOSA-N 316.430 2.630 0 40 DFAB CCOc1ccc(NC(=O)COc2cccc(C)c2)c(N)c1 226358732 MCZRINUYAKSNHA-UHFFFAOYSA-N 300.358 2.993 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccccn2)cs1 6822609 NHNXNWGGFQITIC-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB COc1cccc(CN2CC(Oc3ccnc(C)c3)C2)c1OC 1889128447 QQRQQCZFVAKDIP-UHFFFAOYSA-N 314.385 2.670 0 40 DFAB C[C@@H](NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 1501211 UDNPKSIJYCKAPQ-SNVBAGLBSA-N 309.412 2.643 0 40 DFAB CCn1cc(Br)c(C(=O)Nc2cccc(C)n2)n1 27971292 ZJCTXYJOTMTCKK-UHFFFAOYSA-N 309.167 2.621 0 40 DFAB COc1ccc(-c2noc(C(=O)NCc3cccs3)n2)cc1 15082076 BSMIBNULIWPOFO-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB O=C(c1cc(F)cc(F)c1)N1CCN(c2ccccc2)CC1 6866958 VTWMJYAFQRUWLJ-UHFFFAOYSA-N 302.324 2.927 0 40 DFAB O=C(CNCc1ccco1)Nc1cccc(Br)c1 20056682 WDTMNEWCIIQSNO-UHFFFAOYSA-N 309.163 2.770 0 40 DFAB COc1cc(Cl)c(C)cc1NCC(=O)NCC(F)(F)F 40461258 ZIYZHWKDCRRSHA-UHFFFAOYSA-N 310.703 2.747 0 40 DFAB Cc1cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)on1 40555279 FVISXTGRNFOIHS-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB COc1cccc(OC)c1-c1nn2c(C(C)C)nnc2s1 32106058 UWPKRYHWEBCADA-UHFFFAOYSA-N 304.375 2.993 0 40 DFAB COc1ccc(-c2cnc(CN3C[C@H](C)O[C@H](C)C3)o2)cc1 41363326 GDYWPYHBYNUSGF-BETUJISGSA-N 302.374 2.959 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)O)[C@@H]1CCCO1 36379 QSTKODXKMBQPDL-GWCFXTLKSA-N 311.765 2.857 0 40 DFAB COc1cccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 385909 DNNAWPNIEHVNAU-AWEZNQCLSA-N 312.369 2.793 0 40 DFAB Cc1nnc(SCC(=O)N2CCCc3ccccc32)s1 420151 UXMZIVWGLHEKEU-UHFFFAOYSA-N 305.428 2.918 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 78394527 VIROYHUBQUKFOC-CHWSQXEVSA-N 320.481 2.523 0 40 DFAB COc1cccc(CNC(=O)c2ccccc2-c2nc(C)no2)c1 78876921 ICJUAEYLBPDILP-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB CCOC(=O)C1=C(c2ccccc2)c2ccccc2O[C@H]1C(=O)O 1718152 NZIWUJWKRUAOQJ-QGZVFWFLSA-N 324.332 2.897 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1 71184982 DYWJNWGGGNXZQF-UHFFFAOYSA-N 306.406 2.649 0 40 DFAB CCCCCCOCCOCCCNC(=O)c1cccnc1 4691958 KSPYTGHATJZKBP-UHFFFAOYSA-N 308.422 2.815 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)no1 7928364 DITBBTQOROQHTB-ZDUSSCGKSA-N 313.357 2.591 0 40 DFAB Cc1cccc(C(=O)Nc2ccccc2NS(C)(=O)=O)c1 24882233 KJIDHDOZLWKNBC-UHFFFAOYSA-N 304.371 2.619 0 40 DFAB Cc1cc(CNC(=O)N(CCO)Cc2ccccc2)ccc1F 97413590 FXZFWECADJYEOL-UHFFFAOYSA-N 316.376 2.838 0 40 DFAB Cc1cccc(N(C)C(=O)[C@H]2CCCN(c3ncccn3)C2)c1C 55896552 XEEVNSVMKOLWAQ-INIZCTEOSA-N 324.428 2.973 0 40 DFAB CC(C)CN1CCN(C(=O)Nc2ccccc2N(C)C)CC1 44082046 KRPYNTFFOSYBCJ-UHFFFAOYSA-N 304.438 2.558 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)C1CCCC1 12687522 XAWLULOHEWNJHJ-QZTJIDSGSA-N 314.429 2.875 0 40 DFAB COc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 9908770 XIQMFZCWWCOUEH-UHFFFAOYSA-N 314.341 2.589 0 40 DFAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(O)CC1 58048603 GKRBDQJAQXJNKN-SNVBAGLBSA-N 307.781 2.908 0 40 DFAB CC1(C)[C@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@@H]21 102716881 YZPGDESBKULRQV-KBPBESRZSA-N 300.406 2.802 0 40 DFAB CC(C)N1CCO[C@@H](c2noc(CCc3ccccc3)n2)C1 95999235 RSLPWWWMXAWSQP-OAHLLOKOSA-N 301.390 2.637 0 40 DFAB COc1cccc2cc([C@@H](C)NC[C@@]3(O)CCSC3)oc12 95987983 KVDQWBSTQREXDE-BZNIZROVSA-N 307.415 2.960 0 40 DFAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C(=O)O)C(C)C 95960573 NTRXKNQDLDQCEI-QGZVFWFLSA-N 314.385 2.620 0 40 DFAB CC(C)OCCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O 44896984 AUVKFTZYNNWGGB-HNNXBMFYSA-N 318.417 2.509 0 40 DFAB Cc1ccc(C)c(OCCCCC(=O)NCc2cc[nH]n2)c1 58227037 MALMSOLRGUDFBP-UHFFFAOYSA-N 301.390 2.892 0 40 DFAB Cc1noc([C@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)n1 44947366 BKEYKMVGQTVGME-LURJTMIESA-N 304.730 2.705 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1nncn1CC 44970859 GZAYEKMNTRKHNF-LBPRGKRZSA-N 319.434 2.579 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@H]3CC(=O)CC[C@]3(C)[C@H]1[C@H](O)C2 118931722 NRRGYVQICKWYRF-FWQBRMTLSA-N 306.446 2.930 0 40 DFAB CCn1ncc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)c1C 36615804 DBJRNJUMUDVTFR-UHFFFAOYSA-N 324.388 2.623 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C(F)(F)F 57316795 CBGUUVCCUKIFPZ-UHFFFAOYSA-N 308.687 2.677 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2F)n1C 2550405 PKSHNMHBKRDDJU-UHFFFAOYSA-N 322.409 2.582 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)s1 3466250 DIGFTTFXHFPYTI-UHFFFAOYSA-N 310.762 2.900 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 3425632 XXQAPUGENKIGTF-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB Cc1ccc2c(I)c(C(=O)O)[nH]c2c1 62709360 LPYMCMBEJIBRIG-UHFFFAOYSA-N 301.083 2.779 0 40 DFAB CCC[C@@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 12981611 GJGRDORFASRTLY-GFCCVEGCSA-N 306.406 2.960 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2NC1=O 12923427 VVKADFZIXTZYIL-QMMMGPOBSA-N 315.354 2.716 0 40 DFAB CCOC(=O)COc1cc(C)nc2nc(-c3ccccc3)cn12 4025635 WLSXLGRFPAAMNJ-UHFFFAOYSA-N 311.341 2.647 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)c1occc1-c1ccc(F)cc1 95434818 UMWPSSDTCHNOPY-HZMBPMFUSA-N 323.389 2.928 0 40 DFAB CN(Cc1cnn(C)c1)Cc1ccc(Br)s1 49900795 OPXDVHRUGKAJGN-UHFFFAOYSA-N 300.225 2.876 0 40 DFAB NC(=O)CN(C(=O)CCc1cccc(Cl)c1)C1CCCC1 65493106 ICVJOTZJTMYUQH-UHFFFAOYSA-N 308.809 2.529 0 40 DFAB O=C(Cc1ccc(Cl)cc1)NC(=S)NCc1ccco1 4515234 MDBYPQDAUVGMPX-UHFFFAOYSA-N 308.790 2.666 0 40 DFAB CCn1nnnc1SCC(=O)c1c(C)c(C)cc(C)c1C 14252236 CIOBBTFQUYJZFJ-UHFFFAOYSA-N 304.419 2.902 0 40 DFAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C)cc2)c1 63146539 RGMPKNLFWGIQKT-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB COc1ccc(NC(=O)COc2ccc(F)c(F)c2)c(OC)c1 7401333 OKJLRHJLTSCJJV-UHFFFAOYSA-N 323.295 3.000 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2cccnc2)c(OCC)c1 7428389 BSWBWWDRWGGTEV-UHFFFAOYSA-N 322.386 2.680 0 40 DFAB CC[C@H](NC[C@@H]1CCCS1(=O)=O)c1cc(C)ccc1OC 90467193 POBNOSXWKDHUQM-ZFWWWQNUSA-N 311.447 2.622 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Oc1ccc(F)cc1Cl 16092596 KWQVNRVPIHUHDS-UHFFFAOYSA-N 305.714 2.852 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCCc1ccccc1 71837286 AZPRHQBDASLYDB-LBPRGKRZSA-N 300.406 2.640 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cn1 71870347 PMGAGLMPDTYLRA-MRXNPFEDSA-N 312.417 2.647 0 40 DFAB CCn1cc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cn1 81165294 ICPQPFLOAOFBKM-ZDUSSCGKSA-N 313.405 2.775 0 40 DFAB O=C(O)COc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 8189133 KGEKVNQBLIDRBX-UHFFFAOYSA-N 319.744 2.985 0 40 DFAB FC(F)(F)c1ccnc(Oc2cccc(-n3cncn3)c2)n1 71914882 QNHRBSXFRHAAFH-UHFFFAOYSA-N 307.235 2.868 0 40 DFAB C[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)O1 71915541 WIJJQXMHGVIGAM-AWEZNQCLSA-N 315.413 2.933 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)nc1 69454808 UQZGQSWFRJPHOZ-CYBMUJFWSA-N 316.382 2.907 0 40 DFAB NC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 9602960 SRFZSDBLTBSYQE-UHFFFAOYSA-N 306.724 2.759 0 40 DFAB O=C1NC2(CCCCC2)C(=O)N1CCCOc1ccc(F)cc1 17479613 FKQSGETXMBZQFW-UHFFFAOYSA-N 320.364 2.849 0 40 DFAB CC[C@H]1CN(C(=O)CCNC(=O)OC)CC[C@@H]1c1ccccc1 74264985 LHUOMLKVEGVTJZ-HOCLYGCPSA-N 318.417 2.775 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cnn(-c2ccccn2)c1 97031945 HVYVAYROJPDQRH-NSHDSACASA-N 324.388 2.740 0 40 DFAB COC(=O)[C@@H](NCc1nnc(C)o1)c1ccc2ccccc2c1 97084113 NDEVLICEVJVRJV-INIZCTEOSA-N 311.341 2.535 0 40 DFAB Cc1cc(CS(=O)(=O)N(Cc2ccccc2F)C2CC2)on1 72275122 FKIBNHQJGREQOJ-UHFFFAOYSA-N 324.377 2.617 0 40 DFAB C[C@H](NC(=O)NCc1ccco1)[C@@H]1CCCN(C2CCC2)C1 97237070 VJVZRRAHUGQMFY-UONOGXRCSA-N 305.422 2.732 0 40 DFAB CN(Cc1nc(-c2ccoc2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 75145392 MVVQVAZRZHEWIM-BNOWGMLFSA-N 303.362 2.575 0 40 DFAB Cc1cnn(-c2ccncc2NCc2cccc3c2OCCO3)c1 89702541 BUQDXXKPIJBPSV-UHFFFAOYSA-N 322.368 2.959 0 40 DFAB C[C@H](CCc1ccccc1)N1CCC(N2CCN(C)C2=O)CC1 75604189 KUNCEOJXJTZQIM-MRXNPFEDSA-N 315.461 2.840 0 40 DFAB O=C(NCC1(O)CCSCC1)c1cc2ccccc2s1 76089201 QWMNIVPZQJHBTD-UHFFFAOYSA-N 307.440 2.889 0 40 DFAB O=C(C[C@@H]1CCCO1)NC[C@H]1CCCN(Cc2ccccc2)C1 62230125 MQOHATDNKJOHBF-MSOLQXFVSA-N 316.445 2.584 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)Nc3cc(C)ccn3)C2)cc1 36611878 BEKCUKUJHYUABH-HNNXBMFYSA-N 311.341 2.530 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)NCCCCCC(=O)O 36360803 IHXILCCQVPKOPI-UHFFFAOYSA-N 321.402 2.617 0 40 DFAB Cc1nccn1Cc1ccc(C(=O)NCCCOC(C)C)cc1 38858679 KKVSNZCANZVBJQ-UHFFFAOYSA-N 315.417 2.785 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)c1ccc2c(C=O)c[nH]c2c1 1545499161 ZWHGEHKMHIUULI-UHFFFAOYSA-N 308.337 2.958 0 40 DFAB O=C1C[C@@H](c2ccncc2)c2c(ncn2-c2ccc(F)cc2)N1 66091728 YJGUPDCNNJNISS-AWEZNQCLSA-N 308.316 2.881 0 40 DFAB COc1ccc(CN(C)C(=O)c2cccc(OC)c2OC)cc1 32750536 MWDSKURTUTZNEG-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB CCN(CC)c1nc(C)cc(C(=O)NCCc2ccccc2)n1 72240427 RRCKECWWNCMCKC-UHFFFAOYSA-N 312.417 2.604 0 40 DFAB CCCN(CCC)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 70461212 KFJMUXSCHIFZFU-ZDUSSCGKSA-N 304.390 2.751 0 40 DFAB O=C(Nc1cc(F)cc(F)c1Br)[C@@H]1CCCO1 189043586 YAKCYCWTIJEFSX-VIFPVBQESA-N 306.106 2.845 0 40 DFAB CCCc1csc(NC(=O)N2CCC[C@@H](C(=O)OC)C2)n1 180664108 FJUSGEGCDNRDDC-SNVBAGLBSA-N 311.407 2.513 0 40 DFAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139877711 YLRDKJZGCUWYPF-SECBINFHSA-N 318.826 2.630 0 40 DFAB CN(CCc1ccncc1)C(=O)c1cc(Cl)cc(F)c1N 225557588 XBDUGUAMEKBFLH-UHFFFAOYSA-N 307.756 2.771 0 40 DFAB CC(C)N1CCC[C@H](SCCC(=O)OC(C)(C)C)C1=O 225641096 OQTPBNCOZCYMDE-LBPRGKRZSA-N 301.452 2.851 0 40 DFAB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 138725071 FWHAWEQYBQLNQH-MDBPOYHNSA-N 309.365 2.953 0 40 DFAB Cc1cc(C(=O)NCc2cccnc2-c2cccs2)n(C)n1 225761725 NHZAWTRDWKOKSJ-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 45952554 RKDNLJALONLNSA-QMMMGPOBSA-N 302.157 2.909 0 40 DFAB O=C1[C@@H](Sc2cnccn2)CCN1c1c(F)cccc1F 88500902 NUXFIECEOKIIAJ-NSHDSACASA-N 307.325 2.652 0 40 DFAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](CO)[C@@H]1c1ccc(Cl)cc1 225659665 WVMDEDLCYIQWFS-JYJNAYRXSA-N 322.813 2.888 0 40 DFAB C[C@@H]1CCN(c2ccc(NC(=O)N[C@H](C)[C@@H](C)CO)cc2)C1 195530752 VNCXGCWMASDDBO-HZSPNIEDSA-N 305.422 2.671 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccccc1C 96521405 KKMKPKCDIAFWHZ-VXGBXAGGSA-N 321.236 2.574 0 40 DFAB COCCCNC(=O)Nc1ccc(-c2nccc(C)n2)cc1 96406998 UPAYHISUJKYDBJ-UHFFFAOYSA-N 300.362 2.610 0 40 DFAB COC[C@@H]1CN(CC(C)C)Cc2cnn(CC3CCOCC3)c21 96068354 KVADNQBYAJYHRM-KRWDZBQOSA-N 321.465 2.511 0 40 DFAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 96405547 XVVVEZWZRZXUAU-CRAIPNDOSA-N 313.445 2.716 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@H]3C2)c1 96053905 NKGIUXMIBOBKQX-ROUUACIJSA-N 318.436 2.616 0 40 DFAB COCCNCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 96482580 ACSGQMHRLXIRLC-UHFFFAOYSA-N 319.430 2.601 0 40 DFAB CC[C@H]1C[C@H](C(=O)Nc2ncnc3[nH]c(C)c(C)c23)CCO1 97084576 UICGSTSBBFKOCR-NEPJUHHUSA-N 302.378 2.718 0 40 DFAB O=C(NC[C@]1(O)CCCc2ccccc21)c1cc(C2CC2)on1 96427025 NULGYAJPLDSSCQ-GOSISDBHSA-N 312.369 2.506 0 40 DFAB Nc1cccc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)n1 257283488 OYOBHSNWLQNJLP-SFHVURJKSA-N 320.396 2.786 0 40 DFAB COC(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)C2CC2)C1 69744832 HPZDXIYSJUPBFA-HNNXBMFYSA-N 316.401 2.656 0 40 DFAB Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccn(C)n1 257173598 RVZTUZKHPKLWPT-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB O=C(c1ccc(Cc2ccccc2)nc1)N1CCC(CO)CC1 257232931 GMZRUBRBXVMTJS-UHFFFAOYSA-N 310.397 2.517 0 40 DFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](Cc2cccnc2)C1 257230126 GAXZXZVYAZHSQN-HNNXBMFYSA-N 322.412 2.844 0 40 DFAB CC(=O)N1CCC[C@H](Cc2cncc(-c3scnc3C)n2)C1 257244024 IJOCVHUUHWSPNY-CYBMUJFWSA-N 316.430 2.710 0 40 DFAB Cc1nc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cs1 257282462 OTVNSNGBWNKNPT-OAHLLOKOSA-N 302.447 2.947 0 40 DFAB O=C(CCOc1ccccc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257294587 QUUJEZICOOBKIU-OAHLLOKOSA-N 313.401 2.660 0 40 DFAB CC(=O)Oc1cccc(N[N+](=O)c2cccc(OC(C)=O)c2)c1 367631721 XXYVDZFQPCHXFG-UHFFFAOYSA-N 315.305 2.975 0 40 DFAB O=S(=O)(CCN1CCc2sccc2C1)Cc1ccccc1 279146354 AIQBVZCDBCMAKC-UHFFFAOYSA-N 321.467 2.721 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[C@@H]1C[C@@H]1c1ccccc1 67620172 OWNNRDLCUGWGFO-ZJPYXAASSA-N 308.381 2.500 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)NC1CCC(O)CC1 55412430 YGYPGNQVRJDPFC-UHFFFAOYSA-N 320.414 2.674 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(=O)[nH]1 75118917 WYCITTJQRAJKKU-ZDUSSCGKSA-N 300.383 2.650 0 40 DFAB Cc1cccc(-c2nc(C/C(O)=N/S(C)(=O)=O)cs2)c1 75796896 FODWAZBEMYFYEL-UHFFFAOYSA-N 310.400 2.577 0 40 DFAB C[C@@H](CO)NC(=O)Nc1ccccc1OCCc1ccccc1 40526975 RFFUKXNCJSIJLA-AWEZNQCLSA-N 314.385 2.810 0 40 DFAB O=C(C[C@@H]1CCOC1)NC[C@@H](NCC1CC1)C1CC1 97374333 CFEFSNLGLLNDJD-IBGZPJMESA-N 266.385 1.307 0 40 DFAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)NC1CCCC1 1775966313 XPEHLGFQMTYBOM-LBPRGKRZSA-N 304.346 2.815 0 40 DFAB CCOc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1 14257583 FJUYEDDBFGLDIS-UHFFFAOYSA-N 315.398 2.717 0 40 DFAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCn2ccnc2)c1 19932990 MXZSCJOFNITPNL-INIZCTEOSA-N 315.417 2.782 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)C[C@H](C(=O)O)N1CCCCC1 5258231 XLXUQZWOPANGNO-CQSZACIVSA-N 324.808 2.916 0 40 DFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccco1 575615611 FSUVUICSCUJFTK-UHFFFAOYSA-N 311.288 2.886 0 40 DFAB CCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 324728 MGTZKROEAGCALJ-LBPRGKRZSA-N 303.337 2.992 0 40 DFAB O=C(NCc1cccs1)NC[C@@]1(O)CCCc2sccc21 1889130328 OAINGKWTWCXFJO-HNNXBMFYSA-N 322.455 2.833 0 40 DFAB COC(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1 12440370 OSVKEPJHBHDQAU-UHFFFAOYSA-N 309.322 2.642 0 40 DFAB COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 13474160 HSLFWBPRHXGUAN-UHFFFAOYSA-N 318.325 2.658 0 40 DFAB in-vivo Cc1nc2ccccn2c(=O)c1NC(=O)Nc1cccs1 13707573 QCAODIRFVLJJGM-UHFFFAOYSA-N 300.343 2.708 0 40 DFAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cn(C)nn1 1775967708 AAPSHWNBOVIMSZ-UHFFFAOYSA-N 318.381 2.525 0 40 DFAB O=C(N[C@H]1CCCN(Cc2csc(C3CC3)n2)C1)C1CC1 1006529670 OYPHRNSXXULABX-ZDUSSCGKSA-N 305.447 2.511 0 40 DFAB C[C@H](NC(=O)Cn1ccccc1=O)C12CC3CC(CC(C3)C1)C2 26395976 KDYNMJANHCMVOL-IWUURBKTSA-N 314.429 2.569 0 40 DFAB Cc1cc(N2CCC(c3nnc4ccccn34)CC2)nc(C)n1 40497098 JCPWPGWDQYBEJG-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB COc1ccc(CCn2c(C)nc3ccccc3c2=O)cc1OC 339642 KFLJNDYTJZAOSU-UHFFFAOYSA-N 324.380 2.965 0 40 DFAB biogenic C[C@H](NC(=O)c1cccc[n+]1[O-])c1cccc(Br)c1 32933213 JKIVAUZKWXRPEF-JTQLQIEISA-N 321.174 2.574 0 40 DFAB CCSc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1 102716609 UTHZYQVCCNRIJL-AWEZNQCLSA-N 318.446 2.672 0 40 DFAB CCn1cc(Br)cc1C(=O)N(C)CC(F)(F)F 37665261 OGIYQYHQQQWGQB-UHFFFAOYSA-N 313.117 2.905 0 40 DFAB O=C(c1ccc(Cl)cc1F)N1CCCC[C@H]1C1OCCO1 79336349 TXDVLDXBENJQGJ-ZDUSSCGKSA-N 313.756 2.847 0 40 DFAB Cc1cc(C)n2nc(C)c(C(=O)NOCc3ccccc3)c2n1 79720424 NAALRYLISAHYEZ-UHFFFAOYSA-N 310.357 2.516 0 40 DFAB COC(=O)c1cccn1C1CCN(C(=O)CC2CCC2)CC1 79901343 GSSSXFOGQKUUSR-UHFFFAOYSA-N 304.390 2.628 0 40 DFAB CN(CCCNC(=O)COc1ccccc1F)c1ccccc1 7889198 INMRGVUKKZZBOC-UHFFFAOYSA-N 316.376 2.847 0 40 DFAB O=C(CCCc1cccs1)N[C@H]1CCCc2[nH]c(=O)ccc21 43055866 GQMUNYQRUVSIKZ-AWEZNQCLSA-N 316.426 2.953 0 40 DFAB Cc1cc(CN(C)C(=O)Nc2ccc(N3CCCC3)nc2)no1 48086487 OTYOSCGPISHTPZ-UHFFFAOYSA-N 315.377 2.642 0 40 DFAB CCOc1cc(C(=O)N(C)Cc2cc(C)on2)ccc1OC 25136428 PNXIFCRNCGDANK-UHFFFAOYSA-N 304.346 2.663 0 40 DFAB O=C(c1cccs1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721059 LTRCKSVFYODTNY-YDHLFZDLSA-N 307.415 2.547 0 40 DFAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccco1 57875953 DLACHWTUYWREFH-UHFFFAOYSA-N 313.806 2.839 0 40 DFAB C[C@H]1CCCN(C(=O)CNc2ccc3c(c2)OC(F)(F)O3)C1 57863601 KMUKAPQPOILAGL-JTQLQIEISA-N 312.316 2.679 0 40 DFAB CN(Cc1ccn(-c2ccccc2)n1)Cc1nc(C2CC2)no1 48290413 GAKXSAAPKUYHEF-UHFFFAOYSA-N 309.373 2.765 0 40 DFAB COC(=O)[C@@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 48252981 KBPSTIIEDLFBDF-HNNXBMFYSA-N 303.358 2.534 0 40 DFAB O=C(/C=C/c1ccsc1)NCc1ccc(Cn2cncn2)cc1 44893960 SCBJAPGYEVYSNJ-AATRIKPKSA-N 324.409 2.718 0 40 DFAB O[C@@H](CNc1ncnc2sccc12)COc1cccc(F)c1 44976217 ZDJZKPVJJZRNTO-NSHDSACASA-N 319.361 2.682 0 40 DFAB C[C@H](NC(=O)c1ccn2ccnc2c1)[C@H]1COc2ccccc21 95438411 PIVOGWKQDIHQEM-SWLSCSKDSA-N 307.353 2.629 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(O)c1 3361369 FLVRZDDHVBKYQX-UHFFFAOYSA-N 313.353 2.516 0 40 DFAB Cc1cn2c(/C=C/C(=O)NCc3ccccn3)c(C)nc2s1 24713739 JJPJSEUYGAYCIL-VOTSOKGWSA-N 312.398 2.737 0 40 DFAB O=C(O)C[C@@H](CC(=O)NCc1ccco1)c1ccc(F)cc1 57634187 RDYABRYQYMCCJM-GFCCVEGCSA-N 305.305 2.684 0 40 DFAB Cc1ccc(CNC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 48356639 BOAHJMZSCKISNQ-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)[C@@H](C)SCc1ccccc1 48356326 ILJMQGPMGSNANQ-ZIAGYGMSSA-N 303.431 2.710 0 40 DFAB CC[C@@H](CCNC(=O)c1ccc(F)c(C)c1)N1CCCC1=O 95350138 VVYWQWLZZMQUSF-AWEZNQCLSA-N 306.381 2.655 0 40 DFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(CC)CC1 20462288 MLJFBCBRMFALCN-INIZCTEOSA-N 304.434 2.625 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(F)cc1 3619183 AAKGTAUBOXLUKI-UHFFFAOYSA-N 313.328 2.962 0 40 DFAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 13467773 SZFROFXHIKHOIQ-CQSZACIVSA-N 314.297 2.792 0 40 DFAB C[C@H](NC(=O)c1c(N)n(C)c2ccccc2c1=O)c1ccccc1 5031509 BXFAGUPZDOLTMI-LBPRGKRZSA-N 321.380 2.612 0 40 DFAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccncc1 5248833 NLOQAPQTTRHNTC-UHFFFAOYSA-N 321.380 2.976 0 40 DFAB CCCOCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 65462633 WKOFYBGMQWDNJJ-CYBMUJFWSA-N 301.390 2.696 0 40 DFAB COCCn1cc2c(n1)[C@@H](NCc1ccccc1F)CCC2 96002715 QIYFHHKJRQAJET-INIZCTEOSA-N 303.381 2.836 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)c3cc(F)ccc3O2)c1 15083914 FSNSCIKEIJMVIC-MRXNPFEDSA-N 315.300 2.807 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 67208146 KBVWGEBYMMDQSL-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB Cc1ccc(NC(=O)CSc2nnnn2C(C)(C)C)cc1C 16290224 CMNYIUHGVLXEGP-UHFFFAOYSA-N 319.434 2.776 0 40 DFAB Cc1cc(CNC(=O)c2cccc[n+]2[O-])c2[nH]c(C)c(C)c2c1 68964146 CWTNBIUQGHOMKY-UHFFFAOYSA-N 309.369 2.657 0 40 DFAB CC(C)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224826 SNPAXVVPSTVSKZ-UHFFFAOYSA-N 310.357 2.870 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 70008549 LAOZEDXIAUKREJ-AWEZNQCLSA-N 314.389 2.843 0 40 DFAB C[C@H](CCNC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 69454763 WOSLQXFBIOKULC-CQSZACIVSA-N 304.434 2.849 0 40 DFAB Cc1ccc(CCCCC(=O)N2CCn3c(C)nnc3C2)cc1 69458879 NBXSIGSGGZSECS-UHFFFAOYSA-N 312.417 2.650 0 40 DFAB CC(C)[C@@H](NC(=O)NCC(C)(C)C[C@H](C)O)c1ccncc1 96440292 CLIWFZJJSDGSIS-DZGCQCFKSA-N 307.438 2.875 0 40 DFAB COc1ccccc1CC(=O)Nc1ccc(-c2nc[nH]n2)cc1 69669990 XENLDAFVFNBRTK-UHFFFAOYSA-N 308.341 2.662 0 40 DFAB O=C(C[C@@H]1CCCc2ccccc21)NCCNc1ncccn1 71888256 RFIOGRLALRWQNT-HNNXBMFYSA-N 310.401 2.515 0 40 DFAB Cc1noc(CSc2nncn2CCc2cccs2)n1 71833729 CXUQYEAWIBFOGC-UHFFFAOYSA-N 307.404 2.566 0 40 DFAB NC(=O)c1ccc(CN2CCC[C@@H](N3CCCCCC3)C2)cc1 69972682 DJWIYSYVTQXICL-GOSISDBHSA-N 315.461 2.626 0 40 DFAB Cn1cc(CC(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc21 69950665 KEKMGFAFLMLXQT-MRXNPFEDSA-N 322.412 2.609 0 40 DFAB CCOc1cccc([C@H]2NC(=O)c3ccccc3N2C)c1OC 8747341 PFFQWIQAOJTBRQ-KRWDZBQOSA-N 312.369 2.972 0 40 DFAB Cc1ncccc1OCc1ccc(S(=O)(=O)C(F)F)cc1 97082581 QVYRFKLPBFRTIF-UHFFFAOYSA-N 313.325 2.965 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nncn2-c2ccccc2)n1 95413654 MLASKJVTKFSNMY-LLVKDONJSA-N 313.386 2.512 0 40 DFAB Cc1cccn2c(=O)cc(CN3CC[C@H](c4ccccc4)C3)nc12 84247939 MUHRAJFFZFRBGF-KRWDZBQOSA-N 319.408 2.992 0 40 DFAB Cc1ccc([C@H](CNC(=O)C2(O)CCCC2)N2CCCC2)cc1 97160174 OTHXLDHOLQGUMX-KRWDZBQOSA-N 316.445 2.553 0 40 DFAB Cc1ccc(CN(C)C(=O)C2CCN(c3nccs3)CC2)o1 72305743 WBQCUBPDMPHMMU-UHFFFAOYSA-N 319.430 2.920 0 40 DFAB C[C@]1(CO)CCC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F 95427208 GDBXUTUBLUVPGI-UKRRQHHQSA-N 315.335 2.915 0 40 DFAB CC(=O)N1CC[C@H](C(=O)OCCc2ccc3ccccc3c2)C1 95964199 URHQQXZSYBBQRL-SFHVURJKSA-N 311.381 2.794 0 40 DFAB C[C@H](CNC(=O)[C@H](C1CC1)N1CCCC1)Oc1ccc(F)cc1 95939807 GIDQFQBITOCCBN-DYVFJYSZSA-N 320.408 2.584 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)c1cc2c(s1)CCOC2 95959417 CJWPBTMFCNBIHQ-ZDUSSCGKSA-N 309.431 2.708 0 40 DFAB O=C(c1cc(Cl)ccc1Br)N1CCCNCC1 95971476 VDZJBLJZEQJMIJ-UHFFFAOYSA-N 317.614 2.538 0 40 DFAB CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc(C)o2)cc1 89943565 DCZMEBHFIIOEPP-HNNXBMFYSA-N 316.401 2.630 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)N1CCSc2ncccc21 89969129 RUGAJQNIXOKJRS-GFCCVEGCSA-N 307.419 2.615 0 40 DFAB Cc1nn(C)c(C)c1C(=O)OC[C@@H]1CCN(c2ccccc2)C1 76090869 KSZGZZSBKWSPRL-OAHLLOKOSA-N 313.401 2.720 0 40 DFAB CC[C@@H](C)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 76021807 UZCAAILBCKYHDJ-YPMHNXCESA-N 308.809 2.998 0 40 DFAB CC(C)c1ccc(O)c(NC(=O)c2ccnc(-n3cnnc3)c2)c1 32647015 RFRICURJPATJDI-UHFFFAOYSA-N 323.356 2.744 0 40 DFAB O=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 129211765 CYDAGAGUCKAIHU-GHMZBOCLSA-N 304.312 2.720 0 40 DFAB COc1ccc(N(Cc2cccc(C)c2)S(C)(=O)=O)cc1 408623175 DRULDIXAWXUVNO-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB CO[C@H]1CCC[C@H]1OC(=O)/C=C/c1ccc(NC(C)=O)cc1 78985486 PJBFKZQWAQAARX-UGTRGGQESA-N 303.358 2.769 0 40 DFAB COc1cc(C(=O)CCCCCC(=O)O)cc(OC)c1OC 43214192 LUBTWZKEGFQQPJ-UHFFFAOYSA-N 310.346 2.930 0 40 DFAB COc1cc(NC(=O)NCCCn2ccnc2)ccc1Cl 194408189 OORUPLKLILFSAY-UHFFFAOYSA-N 308.769 2.757 0 40 DFAB CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C)s1 225392512 BKAKHTNQNOJXLE-VIFPVBQESA-N 309.416 2.974 0 40 DFAB COCCN1[C@H](C)CN(C[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C 191000521 MEGWTMPCMXFIQJ-KURKYZTESA-N 324.509 2.909 0 40 DFAB FC(F)(F)c1nn2c(Cn3cnc4ccccc43)nnc2s1 44920387 SEXBRDJMOCYYTK-UHFFFAOYSA-N 324.291 2.603 0 40 DFAB CCOc1ccc(CNC(=O)[C@H](C)OCC(C)C)cc1OC 40534891 BZRYSIARAKEIGP-ZDUSSCGKSA-N 309.406 2.771 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(c2ccc(C(C)=O)cn2)C1 225546464 PDTAUBNRPXUSFK-KRWDZBQOSA-N 304.390 2.700 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1 225426361 BNNQCHJXEUGARY-OAHLLOKOSA-N 322.368 2.560 0 40 DFAB CN1C[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)O)C1 225608458 XEWWCNVQEAMEAP-MSOLQXFVSA-N 311.381 2.995 0 40 DFAB O[C@H](c1ccc(F)cc1)C1CCN(Cc2ncccn2)CC1 192015594 IJECNTWANJGJDV-QGZVFWFLSA-N 301.365 2.561 0 40 DFAB COc1cccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)c1 225745405 KTZZWJARGSKBEW-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB Cc1noc(-c2cccnc2NCc2cccc3c2OCCO3)n1 80981500 PMTBPQINCKNGTB-UHFFFAOYSA-N 324.340 2.823 0 40 DFAB Cn1ccc(C(=O)N2CCCSc3ccc(F)cc32)cc1=O 190441786 UBIATQQAXZQMRL-UHFFFAOYSA-N 318.373 2.667 0 40 DFAB CC1(C)CCCC[C@@H]1NC(=O)N1CCCN(C(=O)C2CC2)CC1 97103126 WGOBIETZWIEWSV-HNNXBMFYSA-N 321.465 2.609 0 40 DFAB c1ccc(CO[C@@H]2CCN(CC3CCC3)[C@H]3CCO[C@@H]32)nc1 96220290 JNBOGDCSDYMTBZ-KSZLIROESA-N 302.418 2.630 0 40 DFAB CC(=O)Nc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1 94992622 GALUSLWGEHCJLN-UHFFFAOYSA-N 319.405 2.702 0 40 DFAB Cc1cccc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)n1 96046327 VQYJGOJNXVTYMG-JCGIZDLHSA-N 310.401 2.532 0 40 DFAB Cc1cc(C)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)o1 96454296 TZOKEBFIOZVEFB-UHFFFAOYSA-N 310.394 2.930 0 40 DFAB CO[C@@H](C[C@@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1)C(=O)O 248143602 CVPIBKKDDCLYAR-PWSUYJOCSA-N 314.765 2.988 0 40 DFAB c1ccc([C@@H]2CN(Cc3cnn(C4CCCC4)c3)CCO2)nc1 257256323 KKZHYVFPZSULFN-SFHVURJKSA-N 312.417 2.967 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 257332934 XZJQZIRQVCQPHG-CYBMUJFWSA-N 315.421 2.769 0 40 DFAB Cc1cc([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)ccn1 257216708 CVTQGTGSIUSIBH-AWEZNQCLSA-N 302.399 2.974 0 40 DFAB Nc1ccc2cc(-n3ncc(-c4ccccc4)n3)c(=O)oc2c1 255190761 ZGRJZNOUPCALGZ-UHFFFAOYSA-N 304.309 2.623 0 40 DFAB O=c1oc2cc(-n3ccnn3)ccc2cc1-c1ccc(O)cc1 255187456 DQYWCWMGDWYHLH-UHFFFAOYSA-N 305.293 2.746 0 40 DFAB S=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1C[C@H]2CC[C@H]1C2 260658848 UEFKYSQXRIZFRP-GMXVVIOVSA-N 304.415 2.933 0 40 DFAB CN1CCCC[C@@H]1CCn1nc(-c2ccc(F)cc2)oc1=O 295031989 DFFRTJAJKASXKX-CQSZACIVSA-N 305.353 2.517 0 40 DFAB CO[C@@]1(CNC(=O)/C=C/c2ccccc2Cl)CCSC1 96097598 XHSFWCGVCCLJFS-LQYUOIDQSA-N 311.834 2.992 0 40 DFAB CCOCC1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 71904353 KJPAKUWDUMCXQZ-UHFFFAOYSA-N 318.417 2.576 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)CSC3CCCC3)ccc21 49506709 SHPDDCPICVDULN-UHFFFAOYSA-N 304.415 2.820 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)[C@H]1CCCO1 58341677 AJRXBKMZSBYOQQ-CQSZACIVSA-N 316.382 2.958 0 40 DFAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)s1 38706658 XCYYDJQRXGFFCT-UHFFFAOYSA-N 315.398 2.921 0 40 DFAB CN1CCN(c2ccc(Br)cc2NC(=O)COc2ccc(CC#N)cc2)CC1 97371702 JTVIELQYKYVLAJ-UHFFFAOYSA-N 443.345 3.284 0 40 DFAB Cc1sc2nc(CSc3nccn3C)[nH]c(=O)c2c1C 5358944 JRHUZGXAJYAMSM-UHFFFAOYSA-N 306.416 2.627 0 40 DFAB CCC(=O)Nc1nnc(-c2ccc(Br)s2)o1 11695457 DNOKJJWZKOBTTC-UHFFFAOYSA-N 302.153 2.909 0 40 DFAB O=c1oc(-c2nccc3ccccc23)nn1CCN1CCCCC1 12143021 SGJXENJNCDFQCR-UHFFFAOYSA-N 324.384 2.537 0 40 DFAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@H](C)C3)cc2C[C@@H]1C 12146818 JQSQXGCRXLSEOA-CKFHNAJUSA-N 316.445 2.749 0 40 DFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CCOC2)n1 19240141 DSBMQZPJEGQFCN-CHWSQXEVSA-N 322.455 2.950 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncnc3ccc(F)cc23)C1 1889108468 PZHRAEVNGDDNDQ-LLVKDONJSA-N 316.380 2.510 0 40 DFAB O=C(NC[C@]1(O)CCCc2sccc21)c1c(F)cccc1F 1889116962 CGHATQSOVWBDEQ-MRXNPFEDSA-N 323.364 2.980 0 40 DFAB Clc1cccnc1OC[C@@H]1CCCN(c2nncs2)C1 2087122891 LJUJWHGGICQWEH-SNVBAGLBSA-N 310.810 2.882 0 40 DFAB COC(=O)c1cccnc1NC(=S)Nc1ccc(F)cc1 256589 WFHMGEVTYIBGPR-UHFFFAOYSA-N 305.334 2.816 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCn1c(=O)oc2ccccc21 23180471 OIKYNYOOPZBEIU-ZDUSSCGKSA-N 302.374 2.776 0 40 DFAB CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1C 101068061 FSECUEPDJAZJLI-BMRADRMJSA-N 318.377 2.645 0 40 DFAB Cc1cc(CNC(=O)CSc2nc3ccccc3o2)no1 48985452 JMGLRBFCYPBLGO-UHFFFAOYSA-N 303.343 2.533 0 40 DFAB Cc1cc(CN2CCC(COc3ncccc3C)CC2)on1 585527589 UYAAZUFVBOPYQA-UHFFFAOYSA-N 301.390 2.977 0 40 DFAB O=C(NC[C@@H]1COc2ccccc21)c1cc(-c2ccco2)[nH]n1 342668341 VVLOLFKIDSOUAY-LLVKDONJSA-N 309.325 2.576 0 40 DFAB CC[C@@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccncc1 96434981 TWVOHVHBCJZREZ-LLVKDONJSA-N 318.402 2.884 0 40 DFAB c1ccc(COc2ccc(Nc3ccc4nnnn4n3)cc2)cc1 30547882 ORTQWKZWCZKDBD-UHFFFAOYSA-N 318.340 2.842 0 40 DFAB Cc1ccc(Cl)c(OC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 40129184 ZFANCEWOEZYWIB-GFCCVEGCSA-N 324.808 2.947 0 40 DFAB COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 100199244 VHXZSYWVJJPRGM-XJNFMUPTSA-N 309.365 2.953 0 40 DFAB COc1ccc(C(=O)CCCC(=O)N2CCOCC2(C)C)cc1 40656232 HNOFXCCCMYQEOI-UHFFFAOYSA-N 319.401 2.686 0 40 DFAB O=C(c1ccccn1)N1CCC[C@H](CN2CCCCCC2)C1 103096750 WZQPDBPFZCGRND-MRXNPFEDSA-N 301.434 2.810 0 40 DFAB CCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](C)N2C1=S 488938 JJOYTUWEDAYUHH-QMTHXVAHSA-N 313.426 2.993 0 40 DFAB biogenic O=C(NCc1ccccc1CN1CCOCC1)C1CCCCC1 21934990 MPEXVFKXRWDCTF-UHFFFAOYSA-N 316.445 2.715 0 40 DFAB NC(=O)c1cccc(CSc2nnc(N3CCCC3)s2)c1 52913399 NBPRHFXKRSRITK-UHFFFAOYSA-N 320.443 2.530 0 40 DFAB Cc1cccc(C)c1OCC(=O)Oc1ccc(C(=O)O)cc1 12346159 AEMKZGJQMOAMNF-UHFFFAOYSA-N 300.310 2.986 0 40 DFAB C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)C[C@@H](C)N1 94599906 PAWNMRGVIHPUSB-DTORHVGOSA-N 304.287 2.667 0 40 DFAB COC(=O)[C@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 78985202 IXLNLZRNYGSEDO-MBVDDHJVSA-N 305.349 2.783 0 40 DFAB Cc1cc(N2CC[C@@H](N[C@H](c3ccccc3)C3CC3)C2=O)n(C)n1 104361737 SGHHDLSNKBWEOI-SJLPKXTDSA-N 324.428 2.575 0 40 DFAB O=C(O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1 2597299 OEJMQJJFVSPMNU-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB CCc1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1 3564911 TZTYIGBWUQCYMQ-UHFFFAOYSA-N 302.330 2.649 0 40 DFAB CC(C)CNC(=O)NC(=O)CSc1ccc(F)c(F)c1 7927558 DPFLHRAFPIGOBD-UHFFFAOYSA-N 302.346 2.539 0 40 DFAB CN(CC(=O)Nc1ccccc1)C(=O)c1cc2ccccc2n1C 55321784 WHYBJKWFRHMMRP-UHFFFAOYSA-N 321.380 2.889 0 40 DFAB Cc1oc2ccccc2c1CC(=O)NCc1cn(C(C)C)nn1 519835438 XIFCFEYCSDWGKI-UHFFFAOYSA-N 312.373 2.773 0 40 DFAB C[C@@H](Nc1ccncc1NC(=O)c1ccccn1)[C@H]1CCCO1 95398871 IDSVPJVHPRGYMM-MLGOLLRUSA-N 312.373 2.708 0 40 DFAB O=c1cc(CN2CCC[C@H]2C2CCCC2)nc2sccn12 55927949 FBHWJAKGAXOBEQ-AWEZNQCLSA-N 303.431 2.911 0 40 DFAB COCCOC1CCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 108350028 YWWWNDDNLVMANB-IJEWVQPXSA-N 312.454 2.648 0 40 DFAB CC(C)(C)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507989 TUEVBCXQGNCSDY-UHFFFAOYSA-N 315.398 2.526 0 40 DFAB CC(C)n1cc2cc(NC(=O)c3ccn(C)c(=O)c3)ccc2n1 72288145 QIFHUOKTQBQKEJ-UHFFFAOYSA-N 310.357 2.568 0 40 DFAB COc1c(CNC[C@H]2Cc3ccccc3O2)c(C(C)C)nn1C 58392218 USXXODCXNGFQAV-CQSZACIVSA-N 315.417 2.645 0 40 DFAB c1ccc(-n2nnnc2Sc2ncnc3ccccc23)cc1 3349411 SCXAVQLINOOJKP-UHFFFAOYSA-N 306.354 2.757 0 40 DFAB Cc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 10699705 MNIPGIONMZTUPK-UHFFFAOYSA-N 303.383 2.580 0 40 DFAB CC(C)(C)NC(=O)NC(=O)COc1cccc(C(F)(F)F)c1 3311440 IWVAHGHNEGKLEU-UHFFFAOYSA-N 318.295 2.709 0 40 DFAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)C1 48367460 URWAPLQTDDRCCK-LBPRGKRZSA-N 303.406 2.961 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 72235332 FUQSIGBYFJHXCR-HNNXBMFYSA-N 316.380 2.820 0 40 DFAB COc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@H]1c1ccccc1 2449481 RISIRWDRBBDOPW-DYVFJYSZSA-N 311.337 2.938 0 40 DFAB CCCn1c(SCc2nc3ccccc3nc2C)n[nH]c1=O 36807224 IONMZDMFCOKFNB-UHFFFAOYSA-N 315.402 2.525 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)on1 11681455 YWOBKYVGJIGZJI-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCc1ccco1 12926549 FISLXIRPACHASV-ONEGZZNKSA-N 305.717 2.991 0 40 DFAB CCc1ccc(C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)o1 63671065 DPVJANQRLROZQF-UHFFFAOYSA-N 311.341 2.882 0 40 DFAB CCN(CC)CC(=O)Nc1c2c(nc3c1CCC3)CCCC2 4018684 HJGLRLCLBXNZCJ-UHFFFAOYSA-N 301.434 2.729 0 40 DFAB biogenic CN1CCN(c2ccccc2NC(=O)OCC(F)(F)F)CC1 71373532 UNTGPPKEASITDG-UHFFFAOYSA-N 317.311 2.549 0 40 DFAB in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCc2ccccc21 64944714 RRDNVPFEOHZTLK-UHFFFAOYSA-N 319.430 2.569 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cccc(F)c1 14097283 BIDFXLDLAYLFRS-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CC(C)N(C)CCOC(=O)c1ccccc1Br 4550376 VKCLNFRLTCNFAZ-UHFFFAOYSA-N 300.196 2.946 0 40 DFAB O=C(COc1ccc2ccccc2c1)NC(=O)NC1CCCC1 6654552 VCQZWTSLIVPHPJ-UHFFFAOYSA-N 312.369 2.987 0 40 DFAB CC1CCC(N2C[C@H](C(=O)OC[C@@H]3CCCCO3)CC2=O)CC1 66752878 AJFVCOQHISIUTI-KNIAUWFNSA-N 323.433 2.526 0 40 DFAB CN(C)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CCCC1 67200121 FRJHJAVRVAKXGF-JKSUJKDBSA-N 304.409 2.920 0 40 DFAB O=C(NC[C@H](O)c1ccccc1)c1cnc(-c2ccccc2)nc1 67287645 DERBZBNPHIJHNT-KRWDZBQOSA-N 319.364 2.607 0 40 DFAB Cc1ccsc1[C@@H](C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 90116523 ZZNVCKNBCKUFOJ-CHWSQXEVSA-N 318.446 2.636 0 40 DFAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 113948517 AJIKFJHBMVIPMQ-UHFFFAOYSA-N 324.789 2.964 0 40 DFAB CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1nnc2n1CCCC2 71799653 NDOSZRQSHIPUAK-ZIAGYGMSSA-N 319.453 2.628 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 7608086 DPVRFGWEFCPVAU-XJKSGUPXSA-N 304.415 2.696 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)c1 7985201 KQGZSGQHICKLDM-CQSZACIVSA-N 314.316 2.578 0 40 DFAB CC(C)N(C(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 8240315 UBHXTJNJONYATK-UHFFFAOYSA-N 321.380 2.838 0 40 DFAB CC(C)(CC(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccccc1 71834987 SUPFIPMBNSDSBQ-QGZVFWFLSA-N 310.397 2.697 0 40 DFAB CCCCCC(=O)Nc1cc(O)nc2nc(-c3ccco3)nn12 16975441 WPXPLVYGGBRIBQ-UHFFFAOYSA-N 315.333 2.609 0 40 DFAB O=C(c1ccc(N2CCCC2)nc1)N(Cc1ccccn1)C1CC1 69348709 VEXYTGJAYWDWMK-UHFFFAOYSA-N 322.412 2.882 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cscn2)C1 69381152 FRFROSCYGZCWHC-GFCCVEGCSA-N 315.398 2.634 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ncccc2F)C1 91460522 OUTMCIYJCQVBOF-GFCCVEGCSA-N 309.385 2.962 0 40 DFAB CC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 69476108 PTJWLTCVOXGCER-GOEBONIOSA-N 315.417 2.766 0 40 DFAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1nnsc1Cl 71897277 SZOAHBIWCUJQJQ-QMMMGPOBSA-N 320.846 2.537 0 40 DFAB O=C(NCc1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 95437125 CNAISMBUNYKCTP-MJBXVCDLSA-N 306.431 2.895 0 40 DFAB COc1ccccc1NC(=O)N[C@@H](CO)[C@H](C)c1ccccc1 69777539 JGTFSTZIQMCCMV-CJNGLKHVSA-N 314.385 2.981 0 40 DFAB Cc1cnn(CCNc2nc(-c3ccncc3)nc3c2CCC3)c1 69818656 YIIYGQPKTCCGED-UHFFFAOYSA-N 320.400 2.644 0 40 DFAB Cc1nc(CN(c2ccc(F)cc2)S(C)(=O)=O)cs1 71912465 SSERWTKOSLOZAH-UHFFFAOYSA-N 300.380 2.557 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCCN2CCC(C)CC2)c(C)c1 71905767 NXTQJSARTIBXJZ-UHFFFAOYSA-N 324.490 2.622 0 40 DFAB CCSc1cncc(NC[C@@H]2COc3ccccc3O2)n1 84812151 YEZWENSJOBRCSN-LLVKDONJSA-N 303.387 2.841 0 40 DFAB Cc1ccc(C[C@@H](C)NC(=O)C2(O)Cc3ccccc3C2)c(C)c1 95961732 YMHPASHBSCUPJE-MRXNPFEDSA-N 323.436 2.881 0 40 DFAB O=C(c1ccnc(OC2CCCCC2)c1)N1CCC(CO)CC1 89331374 LSKBEHXQTYRVFA-UHFFFAOYSA-N 318.417 2.638 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NC[C@H](C)CC2(C)OCCO2)o1 89652427 XQPBSESPOXYGLF-YPMHNXCESA-N 310.394 2.737 0 40 DFAB O=C(N[C@H]1CCCCC12OCCO2)c1cc2c(F)cccc2[nH]1 89800294 DMGMLNQKLKELCN-HNNXBMFYSA-N 318.348 2.723 0 40 DFAB CC[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccs1 89947940 VPVREYJTRAEWSK-IHRRRGAJSA-N 324.446 2.789 0 40 DFAB Cc1cn2nc(N3CCC[C@H]3c3noc(C(C)C)n3)sc2n1 75573013 USZAYKFSEIWGFF-JTQLQIEISA-N 318.406 2.947 0 40 DFAB COc1ccc(SCC(=O)NCc2ccco2)cc1OC 20049615 ZABWYOUIYMGLST-UHFFFAOYSA-N 307.371 2.705 0 40 DFAB Cc1cccc(C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)c1C 521394332 WLPVIGCATWYUQE-WMLDXEAASA-N 310.397 2.691 0 40 DFAB CC(C)[C@H](N)C(=O)NC1CCC(N(C)Cc2ccccc2)CC1 79415770 OBOLWGRFFHJTPT-ABHNRTSZSA-N 317.477 2.529 0 40 DFAB COc1ccc(NC(=O)C[C@@H]2CC(=O)Oc3ccccc32)cn1 79193075 WIPITUUAXHLRBP-LLVKDONJSA-N 312.325 2.512 0 40 DFAB biogenic CC(C)OC(=O)c1ccc(-n2cnnc2)c(Br)c1 72210095 LVIVJJFYIUJIRU-UHFFFAOYSA-N 310.151 2.595 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)no1 74935425 DVIMFODKVCTMCT-UHFFFAOYSA-N 310.375 2.879 0 40 DFAB O=S(=O)(O)c1ccccc1N1CCC(c2ccccc2)=N1 218870638 NTLUWRNGWCWZJZ-UHFFFAOYSA-N 302.355 2.548 0 40 DFAB CCCc1noc(COc2nc(Cc3ccc(F)cc3)no2)n1 79031582 URJXRIYISOKTPR-UHFFFAOYSA-N 318.308 2.714 0 40 DFAB Cc1nc(CNC(=O)[C@@H]2SCCc3ccccc32)oc1C 79696720 AQEWLPWSIIOOKH-OAHLLOKOSA-N 302.399 2.938 0 40 DFAB CC(C)[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 182740599 NOVMRQYVNYBDPF-HNNXBMFYSA-N 310.825 2.693 0 40 DFAB O=C(N1CCOC2(CCCCC2)C1)C(F)(F)c1ccccn1 225737736 BCKRWGIHQHCDDK-UHFFFAOYSA-N 310.344 2.735 0 40 DFAB Cc1nn(C(C)C)cc1C(=O)N(C)CCOc1ccccc1 569375089 CMVRLFYWZLQYQS-UHFFFAOYSA-N 301.390 2.923 0 40 DFAB COc1ccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc2c1 226043028 JCXPWTYFHBUPQF-UHFFFAOYSA-N 301.342 2.674 0 40 DFAB CCOc1ccc(NC(=O)C(C)(C)Br)c(C)n1 225880285 OJGFIYHNAOTKQF-UHFFFAOYSA-N 301.184 2.901 0 40 DFAB c1ccc([C@@H]2CCCN2c2nccc(N[C@@H]3CCCOC3)n2)cc1 333196384 XIIBLPIUJLACLO-SJORKVTESA-N 324.428 3.409 0 40 DFAB c1csc(CN2CC[C@@]3(COCCN(CC4CC4)C3)C2)c1 96062412 IDHQYFZUAFOSBC-QGZVFWFLSA-N 306.475 2.682 0 40 DFAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cc(C)c(C)o3)C2)n1 96038926 JIUSWJBYANTPQB-FVQBIDKESA-N 317.389 2.735 0 40 DFAB CN(C)C(=O)Cc1ccccc1NCCOc1cccc(F)c1 96427462 XHXCQWHZVOZVCB-UHFFFAOYSA-N 316.376 2.947 0 40 DFAB CCc1ccc([C@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)o1 96410210 WKRYEKQRBFJMHT-OAHLLOKOSA-N 312.369 2.918 0 40 DFAB O[C@H](CN1CCC(OC2CCOCC2)CC1)c1cccc(F)c1 96417439 CBUYVFUYUDSQES-GOSISDBHSA-N 323.408 2.519 0 40 DFAB CCOCCC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 96496353 RHWIHNGOFOUPDI-NSHDSACASA-N 314.788 2.601 0 40 DFAB COc1ccc(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1F 97378822 ZKNZSKXHLIOAQS-XJKSGUPXSA-N 322.380 2.591 0 40 DFAB CC[C@](Br)([C@@H](O)c1cccc(C)c1)S(C)(=O)=O 96521570 SPNLZVAQRMJTGN-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)N(C)CC2CC(O)C2)C12CCCCC2 97104727 UHCIJEGRNISLIA-FJBKBRRZSA-N 324.465 2.527 0 40 DFAB CC(C)(C)OC(=O)NCC1(Cc2ccccn2)CCNCC1 96029468 AMWDGAULTSCMJY-UHFFFAOYSA-N 305.422 2.519 0 40 DFAB COC[C@@H]1CN(Cc2ccoc2)Cc2nn(CC3CC3)cc21 96060442 GNSJPSOTGDVQOA-HNNXBMFYSA-N 301.390 2.632 0 40 DFAB c1cncc(CO[C@H]2CCOC3(C2)CN(Cc2ccco2)C3)c1 247969825 UEQJXSVNRINTHK-INIZCTEOSA-N 314.385 2.625 0 40 DFAB COc1ccc(C[C@H]2CN(C(=O)c3ccccc3)CCO2)cc1 257273432 NGNXHDGUUDMFPA-SFHVURJKSA-N 311.381 2.779 0 40 DFAB CCCc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)no1 257289067 PWVGKCTYWRTYOT-MRXNPFEDSA-N 315.373 2.544 0 40 DFAB C[C@@H](NC(=O)c1ccccc1-n1cnc(CN)c1)c1ccccc1 257210529 BVALRGCLZDJXMF-CQSZACIVSA-N 320.396 2.822 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)Nc1ccc(F)cc1 69778173 HIQMXPRSCPVJJE-NRFANRHFSA-N 306.362 2.755 0 40 DFAB Cc1nn(C)c2nc([C@H]3CCCN(C(=O)C(C)C)C3)ccc12 257210753 BWAPCPALLGSXIN-ZDUSSCGKSA-N 300.406 2.639 0 40 DFAB O=C1OC2(CCCCC2)CN1c1cnc([C@H]2CCCN2)cn1 257242509 ICWOXUXIWHEYCJ-GFCCVEGCSA-N 302.378 2.561 0 40 DFAB Cc1ccc(N2CC[C@H](C(=O)N(C)CC3CC3)C2=O)cc1C 64298676 UILCDVKXBAJQJN-MRXNPFEDSA-N 300.402 2.525 0 40 DFAB CCn1cc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C)c(C)n1 257287811 PRQAFQMSSUCGDI-AWEZNQCLSA-N 301.394 2.610 0 40 DFAB COc1cccc([C@H](C)N2CCN(c3nccc(C)n3)CC2)c1 265537692 OHFDAIIFUFPUEA-HNNXBMFYSA-N 312.417 2.677 0 40 DFAB CC(C)(C)[C@@H]1CN(Cc2cc(F)cc3c2OCOC3)CCO1 279765078 MQEGXBCEHGWWTI-HNNXBMFYSA-N 309.381 2.939 0 40 DFAB Cc1ccc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)n1 92975565 CWIZHYVVPHKSSS-KRWDZBQOSA-N 302.349 2.808 0 40 DFAB CN(C)S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 74931973 FVYJZPPPUOQZJD-UHFFFAOYSA-N 302.705 2.577 0 40 DFAB Cc1nn(C)cc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 89544348 OMKWRTAIHRARKP-CYBMUJFWSA-N 308.426 2.788 0 40 DFAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2cccnc2)C1 12089301 JZXTUECQZXOWPD-OAHLLOKOSA-N 309.369 2.827 0 40 DFAB COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC 14160546 HPTYFHNOIAUFRJ-UHFFFAOYSA-N 301.298 2.685 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 15565538 WFLFGGYEBHVFGM-UHFFFAOYSA-N 320.352 2.909 0 40 DFAB CCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1 19973642 FUYYVBHOLHFSMO-UHFFFAOYSA-N 315.369 2.956 0 40 DFAB COC(=O)[C@@H](N[C@H]1CCSC1)c1ccc(Cl)c(F)c1 154717220 SNFHGOVLZIFZEN-CABZTGNLSA-N 303.786 2.788 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)n1 4967737 IKXSFTPEZJOPOH-QGZVFWFLSA-N 324.428 2.626 0 40 DFAB CCCCOC(=O)n1ccc(C(=O)Nc2ccccc2OC)n1 4374292 SEHUGCOLXQAXJR-UHFFFAOYSA-N 317.345 2.929 0 40 DFAB C[C@H](O)c1ccc(CCNC(=O)c2noc3c2CCCC3)s1 225688137 FKTGWMYRBRORFY-JTQLQIEISA-N 320.414 2.641 0 40 DFAB O=C(c1ccncc1)N1Cc2ccccc2OC2(CCOCC2)C1 12337492 YMIUCUXEFGXYGZ-UHFFFAOYSA-N 324.380 2.666 0 40 DFAB CCNC(=O)NC(=O)COc1ccc(Oc2ccccc2)cc1 5293079 DCFJUJCEQBTUJC-UHFFFAOYSA-N 314.341 2.703 0 40 DFAB CCc1ccc(-c2nnn(CC(=O)c3ccccc3F)n2)cc1 7040913 DACVUKMOTLSESX-UHFFFAOYSA-N 310.332 2.925 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C1CC1 7617259 KLEOILCRWRWYPG-UHFFFAOYSA-N 324.356 2.930 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCCN(C2CCC2)CC1 828228712 DMWGCLVBELRXPG-UHFFFAOYSA-N 315.373 2.635 0 40 DFAB O=C(Nc1cccc2nsnc12)c1ncnc2c1CCCC2 1888890574 SYUBJDOMGWMHSG-UHFFFAOYSA-N 311.370 2.612 0 40 DFAB COc1ccc(N[C@H](C)C(=O)NC2CCCCC2)c(OC)c1 21225334 VJSJNYGNIBRERF-GFCCVEGCSA-N 306.406 2.953 0 40 DFAB Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2ccccc21 4193335 ZVVNJYFXTCAKLI-UHFFFAOYSA-N 317.341 2.510 0 40 DFAB CO[C@@](C)(CNc1cc(C)nc2ncnn12)c1ccccc1F 1775972481 IASAFYCZUOYKIY-INIZCTEOSA-N 315.352 2.546 0 40 DFAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)N1CCCCC1 38497790 PIXQJIXPZCVZJD-UHFFFAOYSA-N 314.341 2.625 0 40 DFAB O=C(N1C[C@H]2CC[C@H]1C2)C1(c2cccc(F)c2)CCOCC1 102774746 JUMBUXSNHNCTRW-BBRMVZONSA-N 303.377 2.885 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(F)cc(F)c1 30159577 RDIKFZSNOYHCIA-MGPLVRAMSA-N 319.307 2.810 0 40 DFAB COc1ccc(OC)c(NC(=O)NCCCOCC(C)C)c1 40024052 DLMJYFQLUUVDJW-UHFFFAOYSA-N 310.394 2.888 0 40 DFAB CCN(C(=O)/C=C/c1ccc(OC)cc1OC)[C@@H](C)COC 40500964 XDDMXEBSIAIDMF-FROQITRMSA-N 307.390 2.600 0 40 DFAB C[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(S(C)(=O)=O)cc1 101652652 HGPGVGQDMHMDOF-DARAHFNDSA-N 305.443 2.953 0 40 DFAB C[C@H](CNC(=O)c1cccs1)N1CCc2sccc2C1 32428050 IJTDMSOKCDKEKI-LLVKDONJSA-N 306.456 2.986 0 40 DFAB O=C(Cn1cccn1)N[C@@H]1CCSc2ccc(Cl)cc21 32494787 DGFZTRNGVLBBQC-GFCCVEGCSA-N 307.806 2.890 0 40 DFAB c1ccc(Oc2cccc(CNc3ccc4nnnn4n3)c2)cc1 52130944 STWNEVKVSPOYSX-UHFFFAOYSA-N 318.340 2.924 0 40 DFAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc2c1CCCC2 32901707 AXNHTAKJEKWHOA-UHFFFAOYSA-N 311.385 2.737 0 40 DFAB CSc1ccccc1C(=O)NCCNC(=O)c1ccccc1 32908529 BJQSQAPEVITVMC-UHFFFAOYSA-N 314.410 2.568 0 40 DFAB COC(=O)C1(NC(=O)[C@H](C)OCc2ccccc2)CCCCC1 33164716 GNNLCBDJCSCXIP-AWEZNQCLSA-N 319.401 2.584 0 40 DFAB COc1ccc(NC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1 184738 SHRYESNZRWFZPZ-SFQUDFHCSA-N 310.353 2.811 0 40 DFAB COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1C 807552 YYDNPOVVKADYJD-UHFFFAOYSA-N 316.382 2.899 0 40 DFAB Cc1ccnc(NCCCCCCNc2nccc(C)n2)n1 1572697 NFPNHIYZDPBZIH-UHFFFAOYSA-N 300.410 2.968 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N(C)C=O 1593563 WUJUCFWTAHVUMR-ZWKOTPCHSA-N 310.397 2.688 0 40 DFAB Cc1ccc(NC(=O)NC(=O)CSc2nncs2)c(C)c1 3389346 GFHOQUMXDURSPF-UHFFFAOYSA-N 322.415 2.595 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)NCCC1=CCCCC1 4121530 VWAKYLHQRJXHSB-UHFFFAOYSA-N 314.385 2.991 0 40 DFAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC3CC3)c(C)c2c1 4524850 QOSRPTSXINSULR-JTQLQIEISA-N 317.341 2.574 0 40 DFAB CC(=O)c1c(C)n(CCc2nc3ccccc3[nH]2)c(C)cc1=O 4625424 KADINJVRAGGFAW-UHFFFAOYSA-N 309.369 2.787 0 40 DFAB CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 4676124 DTWMYVADEDDGLK-MUZJZNNISA-N 303.361 2.683 0 40 DFAB O=c1[nH]c(O)nc2nc(SCc3ccc(F)cc3)sc12 4987578 UFFHOKIKDJMSAP-UHFFFAOYSA-N 309.347 2.517 0 40 DFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307311 ZJJIMXBNWJEPEV-LLVKDONJSA-N 309.431 2.944 0 40 DFAB COCc1c(C(=O)OCC(=O)c2ccc[nH]2)oc2ccccc12 5339589 KQPFSGCVEJFHEC-UHFFFAOYSA-N 313.309 2.947 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)Oc2ccccc2)C1 6168383 NKUKAAGSKZZRLP-GOEBONIOSA-N 319.401 2.646 0 40 DFAB COc1cccc(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 8643653 WOMSKZIIUMOVIP-LJQANCHMSA-N 324.380 2.971 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 8686571 RDSKNGRXGFLMMM-SUHUHFCYSA-N 304.415 2.948 0 40 DFAB NC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)nc2ccccc12 8747793 ROABPZZTSYDGHR-MRXNPFEDSA-N 318.380 2.751 0 40 DFAB Cc1ccc(NC(=O)c2snc3c(O)ncnc23)cc1C 8763115 BJIUTFSIJATFKV-UHFFFAOYSA-N 300.343 2.661 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 9468432 RYSFSAGRLMLPOS-CYBMUJFWSA-N 319.405 2.976 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccsc2)c1 9905207 PFXSXVVMXHBHKD-UHFFFAOYSA-N 315.398 2.700 0 40 DFAB C=Cn1nnc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)n1 10119645 WBJLWHQWEIPQSP-PKNBQFBNSA-N 307.313 2.686 0 40 DFAB Cc1nc(SCc2ccccc2Cl)[nH]c(=O)c1CCO 11905791 PFQJCHAPRRIXPL-UHFFFAOYSA-N 310.806 2.559 0 40 DFAB O=C(c1cc[nH]n1)N1CCC(c2cc3ccccc3cn2)CC1 12143420 CXVLAYJAAQTHCF-UHFFFAOYSA-N 306.369 2.978 0 40 DFAB OC1CCN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)CC1 12668206 DKSMCJKONOADEA-UHFFFAOYSA-N 322.368 2.760 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)OCc1cc(-c2ccco2)on1 12811593 WXAGFIISEQUQCQ-UHFFFAOYSA-N 315.281 2.862 0 40 DFAB Cc1ccc(CN2CCC3(CC2)NC(=O)c2ccccc2N3)o1 13566599 WGZOAMRFROERRL-UHFFFAOYSA-N 311.385 2.736 0 40 DFAB COc1ccc(CN(Cc2ccco2)C[C@@H](C)O)cc1OC 13991748 ZCGWUZCDFHFOPZ-CYBMUJFWSA-N 305.374 2.680 0 40 DFAB COC(=O)c1c(NC(=O)c2cnc(C)cn2)sc(C)c1C 14652076 OXYFEDVTJKCHES-UHFFFAOYSA-N 305.359 2.502 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cs1 15243086 FIUYCNSAECRCSL-SECBINFHSA-N 323.395 2.586 0 40 DFAB C[C@H](NC(=O)Cn1ccccc1=O)c1ccc2ccccc2c1 17477698 CFGAZZDZQMUBEZ-AWEZNQCLSA-N 306.365 2.879 0 40 DFAB Fc1ccc(CN2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1 19333975 NEAHDKXLJRICHA-ZDUSSCGKSA-N 311.364 2.872 0 40 DFAB Cc1c(N)cccc1NC(=O)c1cncc(Br)c1 20480827 DWHODESFNJXVIJ-UHFFFAOYSA-N 306.163 2.987 0 40 DFAB CCCc1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 20615816 WTVFPEJXFTXFGV-NSHDSACASA-N 315.373 2.562 0 40 DFAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H]1c1ccncc1 24434596 BMPSHDLTJPYUJA-CQSZACIVSA-N 324.352 2.886 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1 24985128 NBUFOWBIMYSRIY-QGZVFWFLSA-N 324.380 2.695 0 40 DFAB CC(C)CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 26522972 TWEBAHATOBUZCJ-UHFFFAOYSA-N 321.380 2.772 0 40 DFAB CSc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 27160624 FCHAVSGGQVDWTO-XHDPSFHLSA-N 308.447 2.746 0 40 DFAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 30525033 WEAXCTOXXQDTKQ-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccccc1F 31663525 BATPOCDGALQMDU-UHFFFAOYSA-N 311.320 2.728 0 40 DFAB Cc1n[nH]cc1CNC(=O)c1cc(F)cc(Br)c1 38012006 CYKPBRSNPMPAPB-UHFFFAOYSA-N 312.142 2.550 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1-n1cnnn1 40267446 HDLLANIOOHGPLW-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Cc1ccccc1CNC(=O)C(=O)Nc1cc(F)ccc1C 42646114 BQWWMGKMXWGTNX-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB O=C(Nc1cccnc1N1CCCC1)c1cnc2ccccc2n1 47225902 WGBYZVPEXBPSLP-UHFFFAOYSA-N 319.368 2.877 0 40 DFAB c1ccc(N2CCC(NCc3cccc4c3OCO4)CC2)nc1 47703619 PANKYFNYUJONKE-UHFFFAOYSA-N 311.385 2.569 0 40 DFAB COc1cccc([C@H]2CCCN2C(=O)Nc2nncs2)c1 48262406 VVCYRZZWAREZCD-GFCCVEGCSA-N 304.375 2.916 0 40 DFAB CC[C@H](CNC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccccc1 48375472 UKJOZFNLOZEAGV-LLVKDONJSA-N 304.777 2.952 0 40 DFAB Cc1cccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)c1 51316288 LHSMTENSDNQATC-UHFFFAOYSA-N 310.353 2.668 0 40 DFAB Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)on1 55944830 YKKNKTBPNCVEBF-ZFWWWQNUSA-N 304.321 2.772 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1F 56018265 AFMXGEPYDFTPPF-HOTGVXAUSA-N 320.364 2.568 0 40 DFAB COc1ccc(N)cc1NC(=O)c1ccc(OC)c(OC)c1 57340328 SAWLTCJLBPMRJN-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB CCC[C@@H](C)NC(=O)CN1CCN(c2ccccc2Cl)CC1 57406605 MAJVLEKBPJZLFM-CQSZACIVSA-N 323.868 2.767 0 40 DFAB Cn1c(CNC(=O)[C@@H]2Cc3ccccc3S2)nc2ccccc21 58329325 ZIRAGKKTTGUCEO-INIZCTEOSA-N 323.421 2.907 0 40 DFAB COc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cn1 58378123 IJRXWRTZYFCOSF-KRWDZBQOSA-N 311.385 2.866 0 40 DFAB COC(=O)c1ccc(N[C@H](C)c2ccc(OC)c(F)c2)nn1 58393497 OGTQUPLZRYRLHG-SECBINFHSA-N 305.309 2.584 0 40 DFAB CCOC(=O)[C@@H]1CS[C@@H](c2ccc(Br)cc2)N1 59446076 FPKPUKIYBVHYPU-QWRGUYRKSA-N 316.220 2.716 0 40 DFAB CCOC(=O)c1cnc2c(-c3ccccn3)nsc2c1O 67341225 KKBSSNHCMGEBDG-UHFFFAOYSA-N 301.327 2.636 0 40 DFAB COCc1cc(C[C@@H]2C[C@H](NCc3cccnc3)C2(C)C)no1 67889882 UKNDEVPSXCOVDT-PBHICJAKSA-N 315.417 2.963 0 40 DFAB biogenic,in-vitro Cc1ccc([C@H](C)NC(=O)c2ccccc2N2CCOCC2)o1 69380785 DHSJRDUGGYDIPD-AWEZNQCLSA-N 314.385 2.916 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2c(C)noc2C)n1 69621430 VOKLCYSWPPMGGP-HNNXBMFYSA-N 303.410 2.554 0 40 DFAB Cc1cc(NC(=O)c2n[nH]c3ccc(Br)cc23)[nH]n1 69778072 XMVYAARMKPTRPU-UHFFFAOYSA-N 320.150 2.609 0 40 DFAB Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 69779311 AMMFILYEPDNXFF-JKSUJKDBSA-N 323.396 2.591 0 40 DFAB CCN1CCCN(C(=O)CCCOc2cccc(F)c2)CC1 69809177 HXQAQZISXNRUNK-UHFFFAOYSA-N 308.397 2.539 0 40 DFAB Cc1ccc(NC2CCN(C(=O)c3ccc(Cl)o3)CC2)nn1 69922671 HJUPJCGPWJJPDW-UHFFFAOYSA-N 320.780 2.748 0 40 DFAB O=C(O)c1nnn(Cc2cccc(Cl)c2)c1-c1cccnc1 70456997 SEEXJHSNHWFHAG-UHFFFAOYSA-N 314.732 2.740 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccn(C)c(=O)c1 71185623 VHDPTLIOWGZLGP-CQSZACIVSA-N 320.392 2.900 0 40 DFAB C[C@H](c1ccc(F)cc1F)N1CCC[C@H](N2CCNC2=O)C1 71841083 OXPAIYYOXDYJRY-YPMHNXCESA-N 309.360 2.515 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(Cl)nn1 72203475 KZWQXNDZYSVQIM-SNVBAGLBSA-N 313.785 2.908 0 40 DFAB C[C@@H](C(=O)O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 72209276 KJDYOAREWGPEDN-GFCCVEGCSA-N 308.337 2.633 0 40 DFAB CC(C)c1nc([C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)no1 72279289 RCNNOYFYFPRZMV-GFCCVEGCSA-N 317.393 2.833 0 40 DFAB O=C(c1cscn1)N1CCc2onc(-c3ccccc3)c2C1 72351090 ZJNLSUKALZBICP-UHFFFAOYSA-N 311.366 2.997 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1C 72414163 JWELUJHHEXWWCU-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB CN1CCN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc21 74793360 GUEDPROYSUDOHC-UHFFFAOYSA-N 322.817 2.985 0 40 DFAB CN1CCC(CCNC(=O)CCCOc2ccccc2)CC1 78578788 AQUBLNSUPRBDOW-UHFFFAOYSA-N 304.434 2.694 0 40 DFAB CCCO[C@H]1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 78671070 NZILGGMOWTWOJO-HOTGVXAUSA-N 307.438 2.869 0 40 DFAB COc1cc(OC)c(C(=O)OCc2scnc2C)cc1OC 78984881 SCSHJXYSCQQNKU-UHFFFAOYSA-N 323.370 2.834 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 79018749 XECKOYUEDOATGI-KBPBESRZSA-N 308.422 2.811 0 40 DFAB C[C@@H](CC(=O)c1ccco1)NC(=O)CSCc1ccccn1 79105903 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O=C(O)c1ccc([C@H]2NC(=O)c3cc(Cl)ccc3O2)cc1 14242468 VIZWGGASYRLOOR-AWEZNQCLSA-N 303.701 2.859 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C)c1 6913882 CVQWQYZPODVWPN-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB C[C@H](NC(=O)CSc1ncccn1)c1ccc(F)cc1F 6911699 VERSUVBCFYLNJP-VIFPVBQESA-N 309.341 2.724 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1C 15243144 GLVMLQCBILEOCR-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CN(C[C@@H]1CCOC1)C(=O)c1c(O)cc(Cl)cc1Cl 80035962 YNAMVPYMMVIUBQ-QMMMGPOBSA-N 304.173 2.808 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)NCCc1ccc(F)cc1 7194839 BHKHLIPMYQGIKA-SECBINFHSA-N 311.407 2.517 0 40 DFAB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2C)Oc2ccccc21 15518966 HSECVGBKZXOTSB-KRWDZBQOSA-N 310.353 2.748 0 40 DFAB Cc1noc([C@H]2CCCN(C[C@@H](O)c3ccc(C)c(C)c3)C2)n1 71828187 BFMZSXUYBOYLNE-DLBZAZTESA-N 315.417 2.908 0 40 DFAB COc1cc(CC(=O)N2CCC[C@H](n3ccnc3)C2)ccc1C 70011772 VYPRUEQWQJNWCR-INIZCTEOSA-N 313.401 2.606 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CC2)nc1 69390917 SKZFJOXBIYICLU-UHFFFAOYSA-N 323.396 2.519 0 40 DFAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C)c1ccncc1)C2 69391052 XSLXSWZZJIWZTH-WFASDCNBSA-N 312.369 2.519 0 40 DFAB O=C(NC1CC=CC1)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 95463086 NIPANQXLFKGXBP-GJZGRUSLSA-N 308.328 2.813 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(OC)cc1 69491712 NEYDXQISSYVBMW-SJORKVTESA-N 302.418 2.784 0 40 DFAB CCC[C@@H]1Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 17112353 GMVIMFYEGITHQX-SECBINFHSA-N 301.371 2.774 0 40 DFAB CN(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 8429511 IYLLHFVACBJRCY-UHFFFAOYSA-N 308.432 2.522 0 40 DFAB Cc1cc(C)n(-c2cncc(N(C)Cc3c(C)noc3C)n2)n1 71924479 HMSPROKIFRGBGO-UHFFFAOYSA-N 312.377 2.520 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccsc12 69595892 SWFORVHMVDBWCH-ZIAGYGMSSA-N 316.430 2.671 0 40 DFAB C[C@@H]1SCCN(CCC(=O)N2CCc3sccc3C2)[C@@H]1C 71911144 DJEQFPNVPRFGBO-OLZOCXBDSA-N 324.515 2.849 0 40 DFAB Cc1cc(C)c(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)c1 95446430 JBNYUDHFPQPZLF-UONOGXRCSA-N 303.406 2.730 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN(c2snc3ccccc23)C1 69667565 OLVYHDQRKQRWAQ-LLVKDONJSA-N 301.415 2.791 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)N2CCc3ccccc32)c1 72084754 RBJUDNWLDDICIM-UHFFFAOYSA-N 309.365 2.670 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)CC(C)C 84017068 OXGFROVRNKKCLV-UHFFFAOYSA-N 307.419 2.887 0 40 DFAB O=C(NCc1ccccn1)NCc1coc(-c2cccs2)n1 8744604 MGYWZNCDIWCFQE-UHFFFAOYSA-N 314.370 2.798 0 40 DFAB CC(C)CN1CCO[C@H](CNCc2c[nH]c3ccccc23)C1 9834682 HEKBTSGWQKTNBA-MRXNPFEDSA-N 301.434 2.614 0 40 DFAB COc1ccc2cccc(CC(=O)N(C)Cc3cnccn3)c2c1 95436011 CWGNZAYKXQONFN-UHFFFAOYSA-N 321.380 2.840 0 40 DFAB CC[C@@H](C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1OC 70982756 BBRLADSNTKUMDP-YGRLFVJLSA-N 303.362 2.638 0 40 DFAB O=c1[nH]c(-c2ccnc(OCC(F)F)c2)nc2cc(F)ccc12 97085260 YNYRTJIDRSSTEJ-UHFFFAOYSA-N 321.258 2.768 0 40 DFAB c1ccc2nc(N3CCC(c4nnc5n4CCC5)CC3)cnc2c1 95953911 ZUDHQKCLNBSXFJ-UHFFFAOYSA-N 320.400 2.552 0 40 DFAB CN(C)C1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 89314063 WWMGZAAXLYJYCJ-MRXNPFEDSA-N 304.459 2.570 0 40 DFAB Cc1ccc(C(=O)NCCc2csc3ccccc23)c(=O)[nH]1 75120390 XTZPAWUAZGKBQL-UHFFFAOYSA-N 312.394 2.871 0 40 DFAB COCc1cc(NC(=O)N[C@H](C)CCc2ccccc2)ncn1 89895743 LEBIMRKDNGIVQY-CYBMUJFWSA-N 314.389 2.766 0 40 DFAB CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)s2)C1 89949373 GJUZZPUGDTUVGL-LLVKDONJSA-N 310.467 2.721 0 40 DFAB COc1cc(OC)cc(OCC(=O)N(C)C2CCCCC2)c1 20460966 CRGFOKXJDVNHLB-UHFFFAOYSA-N 307.390 2.874 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)n1cc(Br)cn1 28223989 CEGJHSUYIPAYFU-VIFPVBQESA-N 324.178 2.854 0 40 DFAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 408709025 WNOGCVZIBZKHPZ-MRXNPFEDSA-N 302.418 2.683 0 40 DFAB Cc1ccc2cccc(NC(=O)C(=O)NC[C@H]3CC=CCC3)c2n1 67557048 UPUANQFKDYXBEQ-AWEZNQCLSA-N 323.396 2.954 0 40 DFAB CC(C)(C)OC(=O)N1CCOC[C@@]12CCc1ccc(N)cc12 306145632 LBJNKBWTJFWBFH-QGZVFWFLSA-N 304.390 2.678 0 40 DFAB O=C(N[C@H]1CCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 1016057973 NGWCCGRMSYOPSW-INIZCTEOSA-N 315.804 2.739 0 40 DFAB COc1ccc2[nH]c([C@H]3CCN(Cc4cccnc4)C3)nc2c1 35446783 BQYQQHSQVURSSJ-AWEZNQCLSA-N 308.385 2.956 0 40 DFAB biogenic,in-vitro CC(C)OC(=O)C(=Cc1ccc(C(=O)O)cc1)C(=O)OC(C)C 35585992 LXPRRYXJDPPEPP-UHFFFAOYSA-N 320.341 2.671 0 40 DFAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@H]1CCCOCC1 183071422 HLQMUPJTPIZGFU-AWEZNQCLSA-N 312.373 2.834 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)c1c(F)cccc1Cl 75157457 VWODLJVCPKBKAF-CYBMUJFWSA-N 305.802 2.713 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1n[nH]c2ccccc12 47006612 YPTAPNOKVCNKNO-WFASDCNBSA-N 301.390 2.888 0 40 DFAB COc1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1F 46960180 WROCEIVZWZSZOG-ZDUSSCGKSA-N 308.397 2.686 0 40 DFAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C)OC(C)(C)C2)c1 63244797 ZTDQLIMJKBCITB-GXTWGEPZSA-N 319.401 2.682 0 40 DFAB COC1(CNC(=O)Cc2ccsc2)Cc2ccccc2C1 225720507 CVELFTGCMACZOG-UHFFFAOYSA-N 301.411 2.591 0 40 DFAB CCc1nnc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 192136561 IWZAXAVWJKYZNO-SWLSCSKDSA-N 309.316 2.530 0 40 DFAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97234501 YCZPTBCTUYCYFV-RBSFLKMASA-N 306.410 2.604 0 40 DFAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc[nH]2)cc1 583615996 ANJHQYVEZQKIDI-AEFFLSMTSA-N 314.385 2.536 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccsc1)C2 96039393 GRYVYMSYYQYGEZ-DOTOQJQBSA-N 323.458 2.725 0 40 DFAB CCN(CC)C(=O)CCC1CCN(c2ncc(C)cn2)CC1 96501157 CADFVNGYQGODSZ-UHFFFAOYSA-N 304.438 2.650 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCOC1)c1noc(-c2ccc(Cl)cc2)n1 96456497 CTRMZAVJQIOSTN-MWLCHTKSSA-N 321.764 2.604 0 40 DFAB CCN(C)c1ccccc1NC(=O)NC[C@@](C)(O)c1ccco1 96434909 CDSYZFVMHZQEBM-QGZVFWFLSA-N 317.389 2.765 0 40 DFAB COC(=O)[C@@H](NCc1cncnc1)c1ccc2ccccc2c1 97102484 BJXDZWWFSCJPEN-KRWDZBQOSA-N 307.353 2.634 0 40 DFAB CS(=O)(=O)c1snnc1-c1ccc(Cl)cc1Cl 96525404 ZYNGKSCNLUUIRM-UHFFFAOYSA-N 309.199 2.915 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)cc1 96416538 TUVOWXLGWHMTOU-HZPDHXFCSA-N 320.458 2.727 0 40 DFAB FC(F)(F)CCN1C[C@H]2CCC[C@@H](CN3CCOCC3)[C@H]2C1 96081885 VWLBORCRMBSXQK-RRFJBIMHSA-N 320.399 2.619 0 40 DFAB Cc1nc(Cl)cc(N(C)Cc2ccc([S@@](C)=O)cc2)n1 96453885 XIYCUBVPNAUBFN-FQEVSTJZSA-N 309.822 2.812 0 40 DFAB CCOC[C@H]1CCC2(CCN(C(=O)c3ccsc3)CC2)N1C 96208698 UWAAPMXRKHSMES-OAHLLOKOSA-N 322.474 2.854 0 40 DFAB OC1(CN2CCC(c3ccn4nccc4n3)CC2)CCCCC1 257308579 TXGVYDXWGMKHMS-UHFFFAOYSA-N 314.433 2.604 0 40 DFAB O=C(O)[C@H]1C[C@@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 262656041 SSMXOPLBEUPCLC-IRXDYDNUSA-N 307.349 2.917 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1 70636706 NFGWQJWLIJUPND-OAHLLOKOSA-N 311.447 2.523 0 40 DFAB Cc1ccc(-c2nc(CN(CC(N)=O)C3CCCC3)cs2)o1 52826667 RPGGRCOUBNYFCW-UHFFFAOYSA-N 319.430 2.941 0 40 DFAB Cc1ccc(CNC(=O)c2cccnc2N2CCCC2)s1 40122218 ZFNADAUTVRUXGE-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc(C2CC2)n1 76057964 WHUQQZABAYKQJN-IAQYHMDHSA-N 319.474 2.757 0 40 DFAB CO[C@]1(CNC(=O)c2ccccc2C(F)(F)F)CCSC1 96097605 GHLITTIBEAXRDA-ZDUSSCGKSA-N 319.348 2.957 0 40 DFAB CCc1ncnc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1F 556757664 CJDFXKHNWBPHLU-ZIAGYGMSSA-N 312.392 2.751 0 40 DFAB COc1ccc(/C=C/C(=O)NC2CCCC2)c(OC)c1OC 582008 FNCBFGCQYBUHLO-PKNBQFBNSA-N 305.374 2.784 0 40 DFAB COc1ccc2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)oc2c1 952962696 IKSCCORQUTYVGB-UHFFFAOYSA-N 324.288 2.761 0 40 DFAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1 5076808 HODKHQPSNLBUIK-SNVBAGLBSA-N 303.289 2.715 0 40 DFAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCCOC 12276314 RZLBHXJHKOCFGQ-UHFFFAOYSA-N 315.377 2.622 0 40 DFAB Cn1nccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 12444224 RCONIGFANFAVAW-UHFFFAOYSA-N 302.334 2.935 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 12526080 SEFHQUXPDGRZLR-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13005076 IDECCHQBBLDUDH-ZIAGYGMSSA-N 316.357 2.641 0 40 DFAB COc1ccc(OC)c(Nc2nnc(-c3ccccc3)c(=O)[nH]2)c1 16692841 JBCPNLWRVZCIQY-UHFFFAOYSA-N 324.340 2.593 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccnn2CC(C)C)c1 18231629 YQSJMCPDWWJAOB-UHFFFAOYSA-N 303.362 2.809 0 40 DFAB O=C(COC(=O)c1cc2ccccc2[nH]1)NCc1ccccc1 5532063 PPKSKCVKXPBQQT-UHFFFAOYSA-N 308.337 2.641 0 40 DFAB COc1cc(NC(=O)c2ccc(C)o2)ccc1N1CCCC1=O 11265827 IYLIZWYFGSYLNK-UHFFFAOYSA-N 314.341 2.976 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCc3occc32)cc1 12972378 HHFQTJSVBOIRME-HNNXBMFYSA-N 319.382 2.838 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888842649 JJNZDEINNJALGZ-GFCCVEGCSA-N 321.808 2.856 0 40 DFAB Cc1cnccc1O[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 1889089363 GQTNFHBRMLSLKH-NSHDSACASA-N 324.306 2.857 0 40 DFAB CC(C)c1noc(CN2CCC(N(C)c3ccccn3)CC2)n1 1889089367 JXNBOVYKDCPJSM-UHFFFAOYSA-N 315.421 2.689 0 40 DFAB CNC(=O)Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21 16916830 XXCVRJWPPLNOQU-UHFFFAOYSA-N 322.324 2.697 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)no1 585147915 HQMPDSHLYYJCHW-HNNXBMFYSA-N 312.325 2.706 0 40 DFAB Cc1ccccc1NC(=O)NC[C@@H](OCCO)c1cccs1 575605834 BLYBJPLVCOJUEA-CQSZACIVSA-N 320.414 2.928 0 40 DFAB CCN(CC)C(=S)SCC(=O)NCCc1ccccc1 4263141 XNBRPXQEIKLABG-UHFFFAOYSA-N 310.488 2.705 0 40 DFAB CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C(C)C 21933953 OTFXTWJWPNQXIV-FZKQIMNGSA-N 316.445 2.903 0 40 DFAB CCOC(=O)c1ccc(NC[C@H](O)COc2ccccc2)cc1 545946 AEAHERKUIKJFSJ-INIZCTEOSA-N 315.369 2.715 0 40 DFAB CCOC(=O)CSc1nnc(COc2ccc(CC)cc2)o1 421338 OYNPYLCYKPHNKS-UHFFFAOYSA-N 322.386 2.866 0 40 DFAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)c1c(C)cc(C)[nH]c1=O 92559005 KBSJNXCFXGOQAC-CFVMTHIKSA-N 320.433 2.561 0 40 DFAB Nc1cc(CCCNCc2cccnc2)nn1-c1ccccc1 84569541 GSFPVDKRLZVGBQ-UHFFFAOYSA-N 307.401 2.572 0 40 DFAB O=C1c2ccccc2C[C@H]1Sc1nnnn1-c1ccccc1 1017312 RTEQFQLNPJNOME-CQSZACIVSA-N 308.366 2.562 0 40 DFAB CONC(=O)/C=C/c1cc(Br)ccc1OC(F)F 53720546 WZHTYGVKJJBKCD-GORDUTHDSA-N 322.105 2.741 0 40 DFAB O=C(OCc1nc(-c2ccccc2)no1)[C@H]1COc2ccccc21 78681136 RMERFCQPZIMMFX-AWEZNQCLSA-N 322.320 2.956 0 40 DFAB CCOc1cccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)c1 78898538 IVCKFPQFBFIYOB-RDTXWAMCSA-N 316.445 2.822 0 40 DFAB Cc1ccsc1CNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C 78940663 HNRJOHTWYIUGRW-LLVKDONJSA-N 320.462 2.837 0 40 DFAB COc1ccc([C@@H]2NC(=O)c3ccccc3O2)c(OC)c1OC 2354740 VWABRPAMTFPUBM-QGZVFWFLSA-N 315.325 2.533 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc2cccnc12 8987688 BUIGLIXBWUBBEY-UHFFFAOYSA-N 319.364 2.532 0 40 DFAB CCCCCNC(=O)C(=O)Nc1ccccc1Br 6596783 IBWGFGSLZXKMKT-UHFFFAOYSA-N 313.195 2.694 0 40 DFAB Nc1ncc(Br)nc1N1CCC[C@H]1c1cccnc1 6733653 SYMSYRLBCVDSCN-JTQLQIEISA-N 320.194 2.558 0 40 DFAB CCOCCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7376484 QUBWAQIXDFJFMA-UHFFFAOYSA-N 313.463 2.934 0 40 DFAB CN(C)C(=O)[C@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 24801983 DXVMKJMDDKCCEL-OAHLLOKOSA-N 317.364 2.533 0 40 DFAB Cc1ccc(NC(=O)N2CCN(c3nccs3)CC2)c(F)c1 43324888 WNKNMZWVRLMXNN-UHFFFAOYSA-N 320.393 2.945 0 40 DFAB Cc1cc(C)c(CNC(=O)CCc2cc3ccccc3o2)c(=O)[nH]1 25386328 AKRJGSVTBZBCGE-UHFFFAOYSA-N 324.380 2.987 0 40 DFAB CCN1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 57235484 CRKCXOCIQWDCLN-OBGWFSINSA-N 310.397 2.984 0 40 DFAB O=C(NCCCCN1CCOCC1)c1ccc2ccccc2c1 48284883 HVJDJMBHGSMSDM-UHFFFAOYSA-N 312.413 2.682 0 40 DFAB O=C(OCc1nnsc1Cl)c1ccc(-n2cccn2)cc1 22020948 XTRGFJDEZPCRNA-UHFFFAOYSA-N 320.761 2.734 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 12792049 PGRSZOKJYLWIHF-MRXNPFEDSA-N 315.394 2.507 0 40 DFAB O=S(=O)(NCc1ccsc1)c1ccccc1OC(F)F 58309481 BUVVPASGRHLHQW-UHFFFAOYSA-N 319.354 2.828 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(C)c1C 28236206 SZDIPPAXPBTSJK-UHFFFAOYSA-N 309.373 2.783 0 40 DFAB CC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)cs2)CC1 58313292 NJEDGAKXJSFHBS-UHFFFAOYSA-N 315.442 2.783 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)NCc1ccccc1Cl 27936304 PDVKQUDWGKJFMN-LLVKDONJSA-N 302.827 2.549 0 40 DFAB CC[C@H](C)NC(=O)CCNCc1ccc(OC(F)F)cc1 37997086 KMUGJNMVXKOKOR-NSHDSACASA-N 300.349 2.682 0 40 DFAB COc1ccc(C(=O)N2CCc3sccc3C2)cc1OC 10885340 MFOLEZJPEZCKOZ-UHFFFAOYSA-N 303.383 2.964 0 40 DFAB Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccccc2)n1 2330045 USWLXUDNTHRBHJ-UHFFFAOYSA-N 317.356 2.900 0 40 DFAB Cn1c(=O)c2ccccc2n2c(SC3CCCC3)nnc12 60346733 FRPHTTVZWPVPEC-UHFFFAOYSA-N 300.387 2.616 0 40 DFAB CSc1ccc(NC(=O)CNC(=O)c2cccc(F)c2)cc1 12039570 IPGHGADWQZLSQJ-UHFFFAOYSA-N 318.373 2.916 0 40 DFAB C[C@@H](OCC(F)(F)F)C(=O)Nc1nnc(C(C)(C)C)s1 48665408 XRYRZTPNXORVNR-ZCFIWIBFSA-N 311.329 2.742 0 40 DFAB Cc1cccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)c1 9194284 KHTFHCGHCYYXED-UHFFFAOYSA-N 319.320 2.841 0 40 DFAB Cc1cn2c(=O)cc(COC(=O)c3ccccc3C)nc2s1 21538534 DKHACQACIPNBCT-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB COc1cc(NC(=O)Nc2cccnc2)cc(OC)c1OC 6181188 LDYKOLPGVKYMLE-UHFFFAOYSA-N 303.318 2.751 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C 5252758 UFSZMIAIARJBFV-UHFFFAOYSA-N 316.382 2.599 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1 6314530 LESJQICXLRMRNG-UHFFFAOYSA-N 321.373 2.849 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)Cc1c(F)cccc1F 65563785 MKEBNDOAOXOOBX-NSHDSACASA-N 322.403 2.794 0 40 DFAB C[C@@H](NCC1=Cc2ccccc2OC1)c1nnc2n1CCCC2 84667988 JARVGBSOWKCCOZ-CYBMUJFWSA-N 310.401 2.741 0 40 DFAB O=S(=O)(Oc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 4666643 DCSNWVPRWFEZLU-UHFFFAOYSA-N 312.730 2.836 0 40 DFAB O=C(O)C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 5675543 KVCLJVWOAWYRGT-AWEZNQCLSA-N 305.280 2.911 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)Nc1ccccc1 9646162 ZJIVYJVAIUPFBO-UKRRQHHQSA-N 303.406 2.893 0 40 DFAB CN(C)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 5711263 WTIAXJGIBAXNTG-UHFFFAOYSA-N 316.332 2.687 0 40 DFAB O=C(O)c1ccc2c3c(cccc13)C(=O)N(Cc1ccco1)C2=O 4806959 YLMNGBHQUOWXJN-UHFFFAOYSA-N 321.288 2.927 0 40 DFAB COc1ccc(F)c(-c2cncc(C(=O)N3CCCCC3)n2)c1 67562041 GXUFSWMBVMMICV-UHFFFAOYSA-N 315.348 2.917 0 40 DFAB COc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1OC 15593734 LWDOVABJZAMUOB-LBPRGKRZSA-N 312.373 2.597 0 40 DFAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NC2CC2)c1 7283167 PDUMVCPNPBCGFC-UHFFFAOYSA-N 301.415 2.860 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 67801279 BHCIVXRXZXFQMO-CQSZACIVSA-N 322.380 2.955 0 40 DFAB CCNC(=O)c1cccc(NC(=O)COc2cccc(F)c2)c1 7885449 OTNOYCWBLUVULT-UHFFFAOYSA-N 316.332 2.593 0 40 DFAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1F 7990202 DANXTMPHWFOEIE-HWPZZCPQSA-N 319.307 2.982 0 40 DFAB CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)c1cnn(C)c1 68920358 MJRJZGYVOOJXDA-UHFFFAOYSA-N 313.810 2.677 0 40 DFAB Cc1ccc(NC(=O)COc2nnc3ccccn23)cc1Cl 8224840 AAYSEAGKLNMYDG-UHFFFAOYSA-N 316.748 2.709 0 40 DFAB Cc1cc(C)n(C2CN(C[C@@H](O)c3ccccc3Cl)C2)n1 70005012 ZDRAVNZKHINVFN-MRXNPFEDSA-N 305.809 2.744 0 40 DFAB CCN(CC)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 69652010 QKPHOTGQCUZJPG-UHFFFAOYSA-N 313.442 2.685 0 40 DFAB CC(=O)Nc1ccc(/C=C/C(=O)N(CC(F)F)C2CC2)cc1 71883502 KNERDEFWSSTINK-RUDMXATFSA-N 308.328 2.914 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)COC2CCCC2)n1 71865542 OJJZCLRTFHDLIG-INIZCTEOSA-N 319.449 2.840 0 40 DFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(=O)[nH]c1 71834917 UGCDILOCYVIUEJ-SNVBAGLBSA-N 313.382 2.818 0 40 DFAB C[C@H]1CN(C(=O)CCCn2ccnc2)C[C@H](c2ccccc2)O1 72273697 HYMDFQXMVHMAHQ-DOTOQJQBSA-N 313.401 2.652 0 40 DFAB CC(=O)Nc1nc(C(=O)Nc2ncc(C(C)C)s2)cs1 72296989 QIBYAEBJMGZTPE-UHFFFAOYSA-N 310.404 2.934 0 40 DFAB Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NCc2cccnc2)C1 72291826 BMKCBXWQMLSVHH-WMZOPIPTSA-N 323.440 2.884 0 40 DFAB Cc1ccc(-c2ccc(C(=O)NC[C@@]3(O)CCSC3)s2)o1 97238007 FTGZVQNMGIZPDU-HNNXBMFYSA-N 323.439 2.914 0 40 DFAB O=C(NCc1ccon1)Nc1ccc(F)c(-n2cccc2)c1 95406289 BXIBIPPSKQOOTH-UHFFFAOYSA-N 300.293 2.926 0 40 DFAB COc1cccnc1N(C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 95435491 QRAIOGKXBDBYLT-KXBFYZLASA-N 308.381 2.957 0 40 DFAB O=C(N[C@H](CO)CC1CCCC1)[C@H]1CSc2ccccc21 95456410 CEVZTNJDEDMCTG-ZFWWWQNUSA-N 305.443 2.933 0 40 DFAB O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(-n2ccnc2)cc1 85333869 DTVIGIGNFDKWOK-OALUTQOASA-N 305.381 2.620 0 40 DFAB Cc1cc(CNC(=O)NC[C@@H]2CCC[C@@H](O)C2)ccc1Cl 95939520 YPSBOGKSJCYXJN-TZMCWYRMSA-N 310.825 2.999 0 40 DFAB CC[C@@H]1Oc2cc([C@H](C)NCc3cc(C)on3)ccc2NC1=O 95985478 VXJKAHRAAGMOLH-NHYWBVRUSA-N 315.373 2.943 0 40 DFAB C[C@@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1 95985206 DHFUTLWORWYZLU-GFCCVEGCSA-N 309.373 2.984 0 40 DFAB CCS[C@@H]1CCCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 89275176 NKTZXMYSCWKSBR-WDEREUQCSA-N 312.401 2.661 0 40 DFAB CS(=O)(=O)CCCCSc1nc(-c2ccccc2)c[nH]1 89484260 XTYJELSXWRVDOR-UHFFFAOYSA-N 310.444 2.994 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)[nH]1 75118444 TUFBOXHIYTVCPP-YGRLFVJLSA-N 300.358 2.672 0 40 DFAB Cc1ccsc1CNC(=O)CN(C(C)C)[C@@H]1CCCC[C@@H]1O 89702034 JKUYWPIDPBSRGI-CABCVRRESA-N 324.490 2.687 0 40 DFAB O=C(CCSc1ccccc1F)NC[C@@H](O)c1ccncc1 89814074 GGFGWWQYKGSMDG-CQSZACIVSA-N 320.389 2.553 0 40 DFAB COc1ccccc1[C@H](NC(=O)Cc1ccon1)c1ccccn1 89849257 UTHKRRPCPNUFFL-SFHVURJKSA-N 323.352 2.527 0 40 DFAB CCCc1ncc(C(=O)OCCN2CCCCCC2=O)s1 76090103 NUZJNDVEMGHRFT-UHFFFAOYSA-N 310.419 2.655 0 40 DFAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)NC2CCCC2)cc1C 22540455 ADXNTPPZACNKFZ-AWEZNQCLSA-N 302.418 2.848 0 40 DFAB Cc1cc(F)ccc1/N=c1\oc2cc(O)ccc2cc1C(N)=O 67298387 RAVIJHCQUGROPV-JZJYNLBNSA-N 312.300 2.917 0 40 DFAB CCCCOCc1c(I)cnn1CC 408716324 LNQJJMLHXSIBBG-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB Cc1nc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)co1 21111149 PNFSRVAQYYDQQD-UHFFFAOYSA-N 318.354 2.722 0 40 DFAB CCc1nc(N2CCc3ccccc3C2)c2c(n1)c(C)nn2C 32650697 SGTJBTSRGDXCRL-UHFFFAOYSA-N 307.401 2.797 0 40 DFAB Cc1ccc(C(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1 35655429 QMBXUPDXBOMMEP-UHFFFAOYSA-N 302.418 2.619 0 40 DFAB Cc1c(-c2ccnc3ncnn23)sc2nc3ccccc3n12 36649134 WIWGHLXMLPVYHM-UHFFFAOYSA-N 306.354 2.962 0 40 DFAB COC(=O)c1sc(-c2nnn(-c3ccccc3)c2C)nc1C 71289384 RUVCOBRJIUHYJF-UHFFFAOYSA-N 314.370 2.794 0 40 DFAB CCCNS(=O)(=O)c1ccc(OCCC)c(OCCC)c1 72414175 VFSFMHYUFMHANP-UHFFFAOYSA-N 315.435 2.953 0 40 DFAB C[C@]1(C(=O)O)CC(c2cc(Br)ccc2F)=NO1 71981102 PIZQRGVKEDRYAR-LLVKDONJSA-N 302.099 2.556 0 40 DFAB Cn1ccc(C(=O)N2CC[C@H](Cc3cccc4cccnc34)C2)n1 72368523 ZXKSCBCYQFPHQL-CQSZACIVSA-N 320.396 2.673 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C)C1 40160920 MPWZRLNPSZLSIH-SIFUEBAJSA-N 301.386 2.810 0 40 DFAB c1ccc(C[C@@H]2CN3CCC[C@H]3CN2Cc2cccnc2)cc1 43568679 VROAPVAFXQLRDD-VQTJNVASSA-N 307.441 2.973 0 40 DFAB C[C@@H]1CCCN(Cc2ncccn2)[C@H]1CNC(=O)OC(C)(C)C 225398924 IJNFCCMCPYNJTL-KGLIPLIRSA-N 320.437 2.602 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)no1 227150258 VBOKPEIAVJMGSY-GFCCVEGCSA-N 312.329 2.575 0 40 DFAB CN(C)C[C@@H]1CCN(C(=O)NCCCc2ccccc2Cl)C1 195570413 TXTIKXVXDRFKSJ-AWEZNQCLSA-N 323.868 2.866 0 40 DFAB Cc1ccc(-c2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C)s1 69807678 SABPJRPQUBIRAG-SECBINFHSA-N 321.427 2.706 0 40 DFAB C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc2C1 49551595 RZFREKFSIJHPPE-NSHDSACASA-N 316.426 2.534 0 40 DFAB Nc1nn(-c2ccc(Br)cc2)nc1C(F)(F)F 89262577 IDIBOMLIMAJMPA-UHFFFAOYSA-N 307.073 2.631 0 40 DFAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1oc2ccccc2c1C 96041423 LXRFYTSIEZPHEE-YSVLISHTSA-N 315.369 2.760 0 40 DFAB c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)c1 96042151 LBQLAJNHWFETRV-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 94992979 WTPPIYXLOBATQA-VNQPRFMTSA-N 310.397 2.978 0 40 DFAB CC[C@@H](NCc1nnnn1-c1ccccc1)c1c(C)noc1C 97373951 QZLJMAVOORTFKC-CQSZACIVSA-N 312.377 2.508 0 40 DFAB C[C@@H]1SCCN(CCCS(C)(=O)=O)[C@@H]1c1ccccc1 96411366 QNRAOTQBNGAPJA-ZFWWWQNUSA-N 313.488 2.600 0 40 DFAB COC(=O)C[C@H](NC(=O)C(F)F)c1ccc2ccccc2c1 252491439 LMMSCBYNTMMMRA-ZDUSSCGKSA-N 307.296 2.825 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2scnc2C)C1 257320716 VYFIQYSEVSDFJW-ZDUSSCGKSA-N 317.462 2.738 0 40 DFAB CN1CCCC[C@H](CNC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)C1 624245676 MLFMRNYWYTZYKV-UWWQBHOKSA-N 319.424 2.655 0 40 DFAB Cc1cnc([C@@H](C)NC(=O)N2CCN(C)c3ccccc3C2)o1 679313516 QFWAGKXRPBYHIM-CYBMUJFWSA-N 314.389 2.706 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Cc2ccncc2)C1 71256115 JPWNSTOMUAVTJF-AWEZNQCLSA-N 304.390 2.840 0 40 DFAB in-vitro O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 37410278 MWIPWFCEOXFYTM-LLVKDONJSA-N 302.157 2.612 0 40 DFAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)C1CC1 1775964392 NNGZZOFZDKQOOI-KKBVYLPWSA-N 318.461 2.718 0 40 DFAB biogenic,in-vitro Cc1cccc(NC(=O)NCc2ccc(-n3ccnc3C)nc2)n1 97142800 MMGLZZSXLOFEFY-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cc1nc(-c2ccccc2)[nH]c1CN1CCC2(CC1)OCCO2 97673647 CPHIIUXBQPNPTP-UHFFFAOYSA-N 313.401 2.724 0 40 DFAB COC(=O)c1ccc(COC(=O)c2cccnc2Cl)cc1 5863835 APTYZQSMQYKPJG-UHFFFAOYSA-N 305.717 2.879 0 40 DFAB O=C(Cn1ccnc1)N[C@H](Cc1cccs1)c1nccs1 12087875 QIWULVLBYHVPLK-GFCCVEGCSA-N 318.427 2.501 0 40 DFAB Cc1ccc2c(c1)N(CCOc1ccccc1F)C(=O)CO2 12650228 BAHQNHBQHXTLOM-UHFFFAOYSA-N 301.317 2.939 0 40 DFAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1C(=O)c1sc(C)nc1C 12749673 ZGYBDKNUOXJFJC-SMDDNHRTSA-N 314.414 2.760 0 40 DFAB CCn1cccc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 8091014 CRAWUZQZKVLVDE-LFIBNONCSA-N 309.369 2.909 0 40 DFAB CCCCc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 11923728 IIWXKXJOMKXQNO-UHFFFAOYSA-N 307.419 2.872 0 40 DFAB O=c1[nH]c(/C=C/c2ccc3c(c2)OCCO3)nc2ccccc12 6909554 GEOHWUOTKCBGMN-SOFGYWHQSA-N 306.321 2.865 0 40 DFAB COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 22506667 ZRUFXIKOGFSSKR-UHFFFAOYSA-N 311.341 2.858 0 40 DFAB C[C@@](O)(CNC(=O)c1nc2ccccc2s1)Cc1ccco1 206614259 KUQODYBMKYBDEI-INIZCTEOSA-N 316.382 2.613 0 40 DFAB NC(=O)[C@H](OC(=O)CCc1ccsc1)c1ccc(F)cc1 10495810 IWTSOWQKILEJDV-CQSZACIVSA-N 307.346 2.590 0 40 DFAB COc1cc(CNCc2csc(C)n2)cc2c1OCCO2 40443849 YDZZRBBRGVTXPV-UHFFFAOYSA-N 306.387 2.521 0 40 DFAB CN(Cc1cccc(Cl)c1Cl)C[C@H](O)Cn1cccn1 51213963 AJMIZOIGOVLYRU-LBPRGKRZSA-N 314.216 2.683 0 40 DFAB CCC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2cccnc2)C1 371039 VZEKIPTWBMIPIW-IBGZPJMESA-N 323.396 2.858 0 40 DFAB COc1cccc(Cn2nccc2NC(=O)CC(C)C)c1OC 52773484 SNYGFTIXMCWYJG-UHFFFAOYSA-N 317.389 2.933 0 40 DFAB Cc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n1ccnc1 61070 BUTLOMSOUDUJNF-UHFFFAOYSA-N 310.317 2.548 0 40 DFAB Cn1c(-c2cccs2)nc2c1CCN(C[C@@H](O)C(C)(C)C)C2 536719 BYYXJQMQCZAGSJ-OAHLLOKOSA-N 319.474 2.914 0 40 DFAB COc1cc(CNCc2ccccc2F)cc2c1OCCO2 22774336 BFZYNQYNGOSFOW-UHFFFAOYSA-N 303.333 2.895 0 40 DFAB CC[C@H](c1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 78463072 MGPNOPUJKSLLBA-OAHLLOKOSA-N 322.416 2.626 0 40 DFAB Cc1ccc([C@H](C)n2cc(C(=O)NCc3ccncc3)nn2)cc1 4929390 QJEDXSCCONJFDR-AWEZNQCLSA-N 321.384 2.521 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6725382 WSYPDCZGUZHFBG-KYBZKERUSA-N 317.385 2.619 0 40 DFAB Cc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)CC[C@@H]1CCCO1 72281211 NJIYDJIIJPVSEO-YQQAZPJKSA-N 320.433 2.675 0 40 DFAB CC(C)Oc1ncc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1Cl 55259100 SVJAJEGYCYKTTI-MNOVXSKESA-N 312.797 2.772 0 40 DFAB COc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1F 8041216 OBIZQXUFVDAPAC-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB COC(=O)Cn1c2ccccc2n2nc(-c3ccccc3)nc12 1404592 FDWDUFJHEMIWIK-UHFFFAOYSA-N 306.325 2.524 0 40 DFAB CCCC1=C(N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O 101640954 RKYBQKBYGZRIOX-UHFFFAOYSA-N 321.320 2.842 0 40 DFAB COCCOCC(=O)Nc1ccc(C)cc1OCC(F)(F)F 56989775 YWNAOCDKFAHJRG-UHFFFAOYSA-N 321.295 2.538 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1O 3281886 WLXXKRVNQWXWSH-NJZAAPMLSA-N 319.401 2.798 0 40 DFAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccccc1 22276864 OERZXTTUFNGJKH-UHFFFAOYSA-N 311.790 2.697 0 40 DFAB CCCCCNC(=S)N1CCN(Cc2ccccc2)CC1 35240075 IAMSEQREOUOYID-UHFFFAOYSA-N 305.491 2.869 0 40 DFAB COc1cccc2c1N(CC(=O)Nc1nccs1)CCC2 26339349 AGBFQFBIIYMCIG-UHFFFAOYSA-N 303.387 2.543 0 40 DFAB O=C(CCOCc1ccccc1)Nc1ccc(-n2cncn2)cc1 57451165 SFPILIXAHWMCHS-UHFFFAOYSA-N 322.368 2.813 0 40 DFAB COc1ccc(OCC(=O)NCc2sccc2C)cc1F 84257393 RFTSOWIYAJJHSG-UHFFFAOYSA-N 309.362 2.899 0 40 DFAB Cc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(N)=O)cc1 1941783 PTXCMJMQJZUELA-UHFFFAOYSA-N 323.348 2.941 0 40 DFAB COc1c(C)cnc(CN2CCc3c(ncn3C3CC3)C2)c1C 95373388 CPTPDMGSCRKCEJ-UHFFFAOYSA-N 312.417 2.797 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)ccc1C(N)=O 58192259 AKVYXOXWKAFRLJ-MFKMUULPSA-N 324.808 2.513 0 40 DFAB C[C@H](NC(=O)Nc1ccncc1)c1ccc(-n2cncn2)cc1 44893070 DHCJOCNOIUWVQB-LBPRGKRZSA-N 308.345 2.545 0 40 DFAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCSCC2)c1 48256780 WULQZKGTMIVRID-UHFFFAOYSA-N 307.419 2.924 0 40 DFAB CCCCc1ccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)cc1 20156356 IYTJEDDEFHKQNT-UHFFFAOYSA-N 318.398 2.865 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 12793622 OKOGFKJRKBYPCT-FZKQIMNGSA-N 314.385 2.678 0 40 DFAB Cc1noc([C@H](NC(=O)Nc2ccncc2)c2ccccc2)n1 58316758 GEPDQKLDDPRFNO-CQSZACIVSA-N 309.329 2.684 0 40 DFAB CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 45163633 JEJZZAZWCWZVEE-UHFFFAOYSA-N 303.362 2.953 0 40 DFAB CCN(CC)C(=S)SCC(=O)N1CCc2ccccc21 2290589 MRLHWERNKVTDLU-UHFFFAOYSA-N 308.472 2.936 0 40 DFAB CC(C)(C)c1cnc(Cn2ncc(Cl)c(Cl)c2=O)o1 48363793 YXORRPREGJDSOV-UHFFFAOYSA-N 302.161 2.884 0 40 DFAB CCONC(=O)[C@H](C)Sc1ccc(Br)cc1 48345749 ROEPDQUZQLTELK-QMMMGPOBSA-N 304.209 2.997 0 40 DFAB O=C(N1CCN2CCCC[C@H]2C1)C1(c2ccccc2F)CC1 119418051 VUHBTVFHKKMLTP-AWEZNQCLSA-N 302.393 2.554 0 40 DFAB Cc1nc2c3ccccc3nc(N[C@H]3CCCC[C@@H]3CO)n2n1 95400113 WFVXZXQCJMSGSR-OCCSQVGLSA-N 311.389 2.549 0 40 DFAB C[C@H](NC(=O)CCOc1ccccc1)[C@@H](O)c1ccc(F)cc1 95429969 NPIDGDSWISBWSA-SCLBCKFNSA-N 317.360 2.833 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2nnc(C3CC3)s2)c1 3550736 CXHHGJOHJKEDKA-UHFFFAOYSA-N 305.359 2.685 0 40 DFAB CC[C@@H]1CO[C@H](C)CN1Cc1nc(-c2ccc(OC)cc2)no1 12985664 QFDZKZJEMHWWLB-TZMCWYRMSA-N 317.389 2.745 0 40 DFAB C[C@H](CNCc1c[nH]nc1-c1cccs1)Cn1cccn1 48785154 AUXNFTBHAAMQJX-GFCCVEGCSA-N 301.419 2.761 0 40 DFAB CN1CCCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 97136487 UEVNLVBVYUUPLF-NSHDSACASA-N 309.376 2.701 0 40 DFAB Cc1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 13685050 WIMHNQKGFGSJDA-UHFFFAOYSA-N 313.386 2.652 0 40 DFAB Cc1ccccc1C[C@H](NC(=O)OCc1ccccc1)C(=O)O 39957004 SDJQLXBAHPYQDN-INIZCTEOSA-N 313.353 2.917 0 40 DFAB CS(=O)(=O)c1ccc(NCCC[C@H]2CCCC[C@H]2O)cc1 96009748 YOBKRECGCJMJNL-CZUORRHYSA-N 311.447 2.833 0 40 DFAB O=C(Nc1ccccc1NCC(F)(F)F)c1cccc[n+]1[O-] 65521608 IYGOKYCWLSRRDT-UHFFFAOYSA-N 311.263 2.547 0 40 DFAB Cc1cc(C)cc(NC(=O)c2ccc(N3CCOCC3)nc2)c1 14162369 YQPPBCFRLPQRLV-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB CCCCN1CCC(NC(=O)c2ccnc(NCC)c2)CC1 72311891 MQSGTOHVAXWOQY-UHFFFAOYSA-N 304.438 2.508 0 40 DFAB COc1cccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 4746153 LGXCXDNCBRGOMX-QGZVFWFLSA-N 316.445 2.920 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 6760623 QZLMZXRRSGLMDM-PWSUYJOCSA-N 322.792 2.943 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 7050679 MSPIJYUQARSPHE-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB CC(C)(C)c1nnc(NC(=O)[C@@H]2C[C@H]3CCCCN3C2)s1 80586501 APGMDUIYGQXDOE-GHMZBOCLSA-N 308.451 2.649 0 40 DFAB CC(C)[C@@H](Sc1ccc2ccccc2n1)C(=O)NC(N)=O 9592357 RPCMSCZRMNPJLW-CYBMUJFWSA-N 303.387 2.546 0 40 DFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 80984740 FNMPQOSDLFMZOC-STQMWFEESA-N 316.380 2.755 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)Nc1cc(F)ccc1F 7862933 DNICQKAYRWJGRH-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1cccc(OC)c1)c1ccccc1 9503568 MMWYSTZFCVMITL-MRXNPFEDSA-N 313.353 2.729 0 40 DFAB CC(C)(C)n1nc(C(=O)Nc2ccnc3ccnn23)cc1C1CC1 71888825 GTBFIWHYYXBPSH-UHFFFAOYSA-N 324.388 2.811 0 40 DFAB CCCN1CCC(NC(=O)CSc2cccc(OC)c2)CC1 71821478 BUEINGRXLDLAJM-UHFFFAOYSA-N 322.474 2.778 0 40 DFAB CN(C)c1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 69346144 HZJDSIUWMGXYGO-SECBINFHSA-N 302.296 2.746 0 40 DFAB COC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 69417115 OTFZPLSJIAYRPG-SFHVURJKSA-N 322.364 2.741 0 40 DFAB C[C@@H](C(=O)N(C)CCc1ccncc1)N1CCc2ccccc2C1 71897947 JWODBYHESHKKHT-INIZCTEOSA-N 323.440 2.529 0 40 DFAB CCN(C)[C@@H](C(=O)NC[C@@H]1CCN(C(C)C)C1)c1ccccc1 69538238 XMLCYXIZXQJSCG-FUHWJXTLSA-N 317.477 2.526 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccccc1F)c1nnc2ccccn12 69559063 ZVMLVTNKJHEFHJ-OAHLLOKOSA-N 312.348 2.996 0 40 DFAB COc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccccn1)=C2 69774082 QXYKOQPHSNWAFK-LBPRGKRZSA-N 310.353 2.743 0 40 DFAB Cc1ccnc([C@@H](NC(=O)Cc2noc3ccccc23)C2CC2)n1 95451234 DPJKILBHRJITBW-KRWDZBQOSA-N 322.368 2.736 0 40 DFAB CCSc1cc(C(=O)N2CCC[C@H]2c2nccn2C)ccn1 95456712 FDYGCHZQYYGCRY-ZDUSSCGKSA-N 316.430 2.904 0 40 DFAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)c1 69946595 TUHHWVGKUKYFPL-MRXNPFEDSA-N 322.412 2.907 0 40 DFAB O=C(CCc1c(F)cccc1F)NCc1ccc(C(=O)O)o1 97036067 FCBZZXCECMZYJK-UHFFFAOYSA-N 309.268 2.505 0 40 DFAB Cc1c(Cl)cccc1NC(=O)[C@H](C)NC1CCN(C)CC1 72299678 SHLFURILVNRFDC-LBPRGKRZSA-N 309.841 2.659 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1 98020363 LSXJLBKQORPLOW-KXMBVRIMSA-N 322.430 2.503 0 40 DFAB Cc1nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2[nH]1 74705195 UDAHKSVRIDKLFG-UHFFFAOYSA-N 320.396 2.834 0 40 DFAB O=C(c1ccc2[nH]ccc2c1)N1CC(c2nc(C3CC3)no2)C1 70636965 WKCZVZGVYIKBEB-UHFFFAOYSA-N 308.341 2.668 0 40 DFAB O=C(c1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1 72243399 JQZVLHUTOZAWNS-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1Cl 72228222 LNDXGXJATIIVBO-LSDHHAIUSA-N 304.752 2.890 0 40 DFAB Fc1ccccc1CN(CCCn1ccnc1)C[C@@H]1CCOC1 36740360 WGSJTHOLSRVNMB-INIZCTEOSA-N 317.408 2.951 0 40 DFAB Cc1nc(C)c(F)c(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n1 563342478 PQOWZAGPFYMFSX-CJNGLKHVSA-N 314.364 2.664 0 40 DFAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1NCCO 79411106 SQLOZRKRYCJWKC-SJORKVTESA-N 320.433 2.538 0 40 DFAB C[C@H](c1cccnc1)N(C)C(=O)c1cccc(C(=O)NC2CC2)c1 525881884 ZROPLIOEIYITBB-CYBMUJFWSA-N 323.396 2.807 0 40 DFAB CC(C)CNC(=O)[C@@H](C)Sc1nccn1Cc1ccccn1 79038052 KCOYOBCEZMBNDV-CYBMUJFWSA-N 318.446 2.579 0 40 DFAB CCOc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C 79354923 RYDRFUUCVKELFV-GFCCVEGCSA-N 316.323 2.969 0 40 DFAB CN1CC[C@@H](NC(=O)Nc2ccncc2F)[C@H]1c1ccccc1 225564002 NFSDRVWGZOTNDH-HZPDHXFCSA-N 314.364 2.788 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(F)c2F)n1 69624536 YOUMBQQXRLPFKR-CQSZACIVSA-N 306.360 2.838 0 40 DFAB Cc1nnc2sc(-c3c(F)c(F)c(F)c(F)c3F)nn12 226293880 VFIHQRWUBNCYKP-UHFFFAOYSA-N 306.219 2.857 0 40 DFAB Fc1cc(CN2CCC3(CC2)OCCO3)c2ncccc2c1 46511800 PIXDGWOIRRHXFZ-UHFFFAOYSA-N 302.349 2.713 0 40 DFAB OCc1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)o1 80341994 ZCSPCJXZETVQNU-CYBMUJFWSA-N 306.793 2.794 0 40 DFAB COC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 80001160 MSCDAXHTVZIXKQ-UHFFFAOYSA-N 304.173 2.950 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cscn2)c1OC(C)C 225600608 QYBRXRDNJUTCKP-UHFFFAOYSA-N 320.370 2.969 0 40 DFAB O=C(NCC1CCCC1)c1cccn(Cc2ccccc2)c1=O 63827815 QISBGPFOZHSWJR-UHFFFAOYSA-N 310.397 2.817 0 40 DFAB CC[C@]1(CO)CCCN1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 190439391 OIDCGZBNOLZOPY-MEDUHNTESA-N 312.360 2.972 0 40 DFAB Cc1ccsc1-c1nnc2sc(-c3cnn(C)c3)nn12 40284180 YEPQULBAFANWQD-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cnn2ncccc12 582880069 TZMGNXHZOHXTOB-HIFRSBDPSA-N 306.369 2.748 0 40 DFAB C[C@H](CCNS(=O)(=O)CC1CCOCC1)c1ccccc1 96427868 UOBCXXXICXNDKJ-CQSZACIVSA-N 311.447 2.526 0 40 DFAB Cc1ccsc1C(=O)N[C@](C)(Cc1ccccc1)C(=O)O 96480126 FJVLSQZMEZNWAH-MRXNPFEDSA-N 303.383 2.872 0 40 DFAB c1csc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)c1 96047940 FMYMQDRGLIKZIG-HNNXBMFYSA-N 306.475 2.967 0 40 DFAB COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(O)n[nH]c1C 95478644 XLBSMBMDXLGIHR-QMMMGPOBSA-N 314.263 2.536 0 40 DFAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1cn[nH]c1 96413065 PQMWPVYAUJFDQQ-RNCFNFMXSA-N 308.769 2.961 0 40 DFAB C[C@H](NC(=O)[C@H](C)n1ccnc1-c1ccccc1)c1cnn(C)c1 96486806 MBLFIKKQOVGFKV-KBPBESRZSA-N 323.400 2.722 0 40 DFAB CCn1ccc2ccc(NC(=O)N3CC[C@H]([C@@H](C)O)C3)cc21 97372461 AMCBJTODPZQOHG-OCCSQVGLSA-N 301.390 2.896 0 40 DFAB O=C(NCCOc1ccc(Cl)cc1)NCCc1ccncc1 96475523 GIHMODPZCDGNBG-UHFFFAOYSA-N 319.792 2.656 0 40 DFAB O=C(NS(=O)(=O)Cc1ccccc1)c1sccc1C1CC1 69809815 DQHFBDWXGYWRDY-UHFFFAOYSA-N 321.423 2.885 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 257275956 NRSCAUALMIUNLE-GFCCVEGCSA-N 303.391 2.750 0 40 DFAB COc1cc([C@@H](C)NCc2cccc(O)c2)ccc1OCCO 69871691 DKEQWBPQLZTRCM-CYBMUJFWSA-N 317.385 2.623 0 40 DFAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCN2c2ccncn2)n1 257253361 JYOSIGSXUCMXJX-CQSZACIVSA-N 321.388 2.615 0 40 DFAB CCCn1cc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)cn1 378622590 XXNFUHKGYBTABX-AWEZNQCLSA-N 317.393 2.742 0 40 DFAB O=C1N(CC2CCCCC2)C[C@]12CCCN(C[C@@H]1CCCO1)C2 585099332 FKXXHKVAJVMUNW-PKOBYXMFSA-N 320.477 2.670 0 40 DFAB COC[C@@H](C)NC(=O)Nc1cccc(-n2nc(C)cc2C)c1 71922846 OVSHREYRFFVTBL-GFCCVEGCSA-N 302.378 2.646 0 40 DFAB C[C@@]1(c2cccs2)NC(=O)N(Cc2ccccc2F)C1=O 53863068 OMWXCRHQEPCBTO-HNNXBMFYSA-N 304.346 2.854 0 40 DFAB O=C(Cn1cnc2ccc(F)cc2c1=O)c1ccc(F)cc1 389247 OXWXYQSCOKDTAQ-UHFFFAOYSA-N 300.264 2.558 0 40 DFAB O=S(=O)(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1 1403571 UBTVFRCAISEUPB-CMDGGOBGSA-N 303.339 2.828 0 40 DFAB O=C(O)C[C@@H](CCCC(=O)Nc1nncs1)c1ccccc1 5002220 PIZMYIMEGIPYJV-GFCCVEGCSA-N 319.386 2.905 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1COc2ccccc2O1 5557408 LFKWGUUXZADVPX-AFRKLYKTSA-N 313.397 2.911 0 40 DFAB Cn1cc(C(=O)OCC(=O)Nc2ccccc2)c2ccccc21 5703139 UTOOKYMCXOMUJD-UHFFFAOYSA-N 308.337 2.974 0 40 DFAB CCN1C[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)CC1=O 19526997 NGUNRGZGSXSGKL-NSHDSACASA-N 321.446 2.609 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1 19748346 WURUIRAWQKYFLR-CQSZACIVSA-N 304.434 2.994 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937272 DJAIXIBIBSACCI-UHFFFAOYSA-N 319.364 2.709 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1CCS[C@H](c2ccco2)CC1 219421152 ANQRVXIJJKUNAQ-AWEZNQCLSA-N 319.430 2.950 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)CSc1ccccc1F)C(=O)OC 3333745 CHIOIUGNMZSYLD-YGRLFVJLSA-N 313.394 2.622 0 40 DFAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)s1 9498136 BNJCPNLZJGMDRN-UHFFFAOYSA-N 305.750 2.630 0 40 DFAB O=C(CSC1CCCC1)NC[C@]1(O)CCCc2occc21 1888842960 RPVVOSJFIMOMQH-MRXNPFEDSA-N 309.431 2.596 0 40 DFAB CSCC[C@@H](O)CNC(=O)CCc1cccc(Cl)c1 1888853764 LKRKAPYEAIZBRZ-CYBMUJFWSA-N 301.839 2.503 0 40 DFAB C[C@@H]1C(=O)N(C[C@H](O)c2ccccc2)C(=O)N1c1ccccc1 22094936 WUPOWIVQLCHKME-CJNGLKHVSA-N 310.353 2.577 0 40 DFAB Cc1cc(NC(=O)CCN[C@H](C)c2ccc(F)cc2F)no1 32679750 KGRVTMSLBNCNBF-SNVBAGLBSA-N 309.316 2.941 0 40 DFAB COC(=O)[C@](O)(c1cc(C(C)C)c(O)cc1C)C(F)(F)F 4141924 KLUDYEDVPCSAFS-CYBMUJFWSA-N 306.280 2.747 0 40 DFAB COc1ccc(C(=O)COc2ccc3c(c2)OCO3)cc1OC 12371189 XKLFLFYBUKOROI-UHFFFAOYSA-N 316.309 2.694 0 40 DFAB CN1CCC(Nc2ccccc2)(C(=O)Nc2cccnc2)CC1 2055759319 LFNREQZSNYZOJY-UHFFFAOYSA-N 310.401 2.597 0 40 DFAB CCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(F)cc1 7392044 GHCBLBASXDKQMI-UHFFFAOYSA-N 314.316 2.787 0 40 DFAB O=C1/C(=C\Nc2ccc(Cl)cc2)CCN1c1ncccn1 100401417 IKAZGXGHKFOFAH-KHPPLWFESA-N 300.749 2.863 0 40 DFAB Cc1nc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)sc1C 40481440 VEWZJYOPDKFNFA-JTQLQIEISA-N 321.368 2.973 0 40 DFAB CCCCc1noc([C@H](C)n2nnc(-c3cccc(F)c3)n2)n1 31737205 FUTDAYFIUDRBQM-JTQLQIEISA-N 316.340 2.814 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 20731372 VYUMFQNVAGBGBM-GUYCJALGSA-N 312.344 2.984 0 40 DFAB O=C(CN1CCOc2ccccc21)Nc1ccc(Cl)cn1 32825391 MQFKQZCTPDUZKX-UHFFFAOYSA-N 303.749 2.573 0 40 DFAB CCN(CC)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 484523 MLJBRPLNMODUQX-UHFFFAOYSA-N 319.430 2.916 0 40 DFAB CS(=O)(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1 33276272 GHJLROWIUADIJY-UHFFFAOYSA-N 321.383 2.837 0 40 DFAB O=C(C1CC1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 280435 UQPJGMJNUOUVTF-CYBMUJFWSA-N 304.312 2.816 0 40 DFAB CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1 539599 YQLYKVRHTNDWJG-UHFFFAOYSA-N 314.179 2.665 0 40 DFAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 1401301 NJHWILPTJUTTIG-UHFFFAOYSA-N 309.413 2.999 0 40 DFAB Cc1cc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)no1 3393802 BOOLLNFYAFUDFN-AATRIKPKSA-N 320.732 2.832 0 40 DFAB Cc1cc(Cc2cc(C)cc(C(=O)O)c2O)c(O)c(C(=O)O)c1 4028828 DWSMPYCNEIBXNQ-UHFFFAOYSA-N 316.309 2.702 0 40 DFAB biogenic C[C@@H]1CCC[C@@H](NC(=O)CSc2ncccc2C(=O)O)[C@@H]1C 4195253 FOKXVWIISHBNCQ-NQBHXWOUSA-N 322.430 2.813 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1 4355241 DLKWQLBJRDEHDN-LLVKDONJSA-N 323.824 2.969 0 40 DFAB Nc1c(C(=O)NC2CCCCC2)cnc2nc3ccccc3n12 5020360 JZVZWUIQWXYSAU-UHFFFAOYSA-N 309.373 2.527 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H]1CCCO1 6771084 UFUIPBSLLLGGKC-OAHLLOKOSA-N 317.364 2.537 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@H](O)C4)c23)C1 8149461 CGLSNEYUXDNFMJ-MNOVXSKESA-N 303.431 2.777 0 40 DFAB O=C(CCc1ccccc1)NC[C@H]1CC(=O)N(c2ccccc2)C1 8925027 UOUVRVBGVGUOER-QGZVFWFLSA-N 322.408 2.789 0 40 DFAB Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2N)cc1 9547419 KEOMDVLKKKOPDE-ZDUSSCGKSA-N 321.384 2.649 0 40 DFAB O=C(/C=C/c1ccccc1F)N1CCN(c2nccs2)CC1 10674105 BYJFSOMKGHINFJ-AATRIKPKSA-N 317.389 2.644 0 40 DFAB C[C@H]1CN(C(=O)CSc2ccc3ccccc3n2)C[C@@H](C)O1 12534207 ONQZSULVKLXYJR-BETUJISGSA-N 316.426 2.963 0 40 DFAB CCN(CC)C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12748756 GXQQYDQWWFKXPO-BQYQJAHWSA-N 322.459 2.997 0 40 DFAB O=C(NC1CCCCC1)N1CCC[C@H]1c1nnc2ccccn12 12793752 XAGFZEWZKLGLQX-AWEZNQCLSA-N 313.405 2.909 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1Cl 12946631 YNUTVOAAIABNBS-GHMZBOCLSA-N 309.749 2.954 0 40 DFAB CCc1ccccc1NC(=O)c1snc2c(O)ncnc12 13564116 GRRWEXXNGTZEPC-UHFFFAOYSA-N 300.343 2.607 0 40 DFAB O=C(/C=C/c1ccc2c(c1)CCO2)NCc1ccc2c(c1)OCO2 14169856 NDAHIUMOFMXBCQ-ZZXKWVIFSA-N 323.348 2.680 0 40 DFAB CCCc1n[nH]c(S[C@H](CC)C(=O)Nc2cc(C)on2)n1 14730465 SNDUQVRZKNCVMV-SECBINFHSA-N 309.395 2.563 0 40 DFAB C[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 15744437 PJXMQBGNSYRBFG-ZDUSSCGKSA-N 317.410 2.624 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccs2)c1C 17841951 XHDLCMMOSPSOEX-SECBINFHSA-N 306.387 2.971 0 40 DFAB CNC(=O)[C@@]1(C)CCCN(Cc2cn(C)c3ccc(F)cc23)C1 19746658 GIXFDWGWZRPHPJ-SFHVURJKSA-N 317.408 2.666 0 40 DFAB O=Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 20394081 XQORFTHBLFPSMK-UHFFFAOYSA-N 304.173 2.517 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 20738790 HGVVZWRBFQACLY-KSSFIOAISA-N 324.380 2.853 0 40 DFAB CC[C@@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798809 WTNJGOZLMGQCDK-IAQYHMDHSA-N 322.355 2.861 0 40 DFAB Cc1cc(COC(=O)CCc2nc(-c3ccsc3)no2)no1 22018791 CMEKXHXGOZJZME-UHFFFAOYSA-N 319.342 2.771 0 40 DFAB Cc1nc(CSc2nnc(-c3cccnc3)n2C)cs1 22534354 IUIWTGQTGVKGPB-UHFFFAOYSA-N 303.416 2.934 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1(C)C 24489666 OELOMUQTFCIDSX-GOEBONIOSA-N 300.402 2.891 0 40 DFAB CN(C)[C@@H](CNC(=O)NCc1ccccc1)c1cccs1 24566654 GGXYJVAEDJYVRI-AWEZNQCLSA-N 303.431 2.850 0 40 DFAB CNc1snc(C)c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 28087172 OMBMSMOBFMNODB-MRVPVSSYSA-N 307.341 2.908 0 40 DFAB COc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1OC 30900997 XAJWVQVNSJDQOD-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB CC(=O)NCc1ccc(C(=O)N(C)Cc2ccsc2)cc1 32741290 TYDSRVJNQJTJLO-UHFFFAOYSA-N 302.399 2.656 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCC[C@H](C)C3)C(=O)[C@@H]2C)cc1 34896089 KSDDCELLFKCJSS-GJZGRUSLSA-N 315.417 2.842 0 40 DFAB COc1cccc(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 35312372 DSZWJYMJWGMHPL-GFCCVEGCSA-N 311.337 2.692 0 40 DFAB O=C(NC[C@H]1CCCO1)c1c(-n2cccc2)sc2c1CCC2 36358407 NFMBEVPJSJGKOH-GFCCVEGCSA-N 316.426 2.936 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2csc(-c3ccsc3)n2)C1 36974571 SIJHHXMMNZZEKD-SECBINFHSA-N 322.411 2.808 0 40 DFAB C[C@@H](Cc1ccccc1Cl)NC(=O)CCCNC(=O)C1CC1 40535939 SVJLLFKTFUBORW-LBPRGKRZSA-N 322.836 2.694 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)c2ccccc21 40556002 HJKWVPUISGODFW-CYBMUJFWSA-N 319.368 2.816 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccccc1F 41106880 XQENRBMSAGUHPC-CQSZACIVSA-N 306.337 2.701 0 40 DFAB CSc1nccn1-c1cccc(C(=O)NCC(F)(F)F)c1 42768322 RAPOWWPYNLGVSS-UHFFFAOYSA-N 315.320 2.886 0 40 DFAB CC(C)NC(=O)N1CCC(C(=O)N(C2CC2)[C@@H](C)C2CC2)CC1 48309122 FZOUVVRZYCRKHB-ZDUSSCGKSA-N 321.465 2.606 0 40 DFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCC(C)(C)N(C)C 48333467 GTZHYKZYKOIXRS-BZUAXINKSA-N 312.498 2.920 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccnc(Cl)c2)n1 48405546 QQMYDGRQTRFIAA-JTQLQIEISA-N 306.797 2.614 0 40 DFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)c1ccccc1Cl 51260945 AMCRAFBLIQEHEA-UHIISALHSA-N 307.777 2.549 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)o1 53176242 SMPZCAIPRILZHO-OCCSQVGLSA-N 324.384 2.695 0 40 DFAB Cc1cccc(OC[C@@H](C)NC(=O)c2cnc3[nH]nc(C)c3c2)c1 54164945 NPYUHWRXTOSNRD-GFCCVEGCSA-N 324.384 2.772 0 40 DFAB C[C@H]1c2ccsc2CCN1C(=O)Cn1nnc2ccccc21 54748646 IIZZXFYIZNJNIS-NSHDSACASA-N 312.398 2.639 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)COc1ccccc1 56122976 SFHHRBVIFWBEFG-CYBMUJFWSA-N 323.389 2.880 0 40 DFAB COc1cccc2cc(C(=O)Nc3nc(C)cs3)c(=N)oc12 57523744 MJQWYLMOZWHYED-UHFFFAOYSA-N 315.354 2.938 0 40 DFAB Fc1ccc(CNCc2ccc(-n3cncn3)c(F)c2)cc1 57995778 DHFCMOVASCUGIW-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCCCc2ccccc21 58265572 PQKDGGGHAXRKDO-XJKSGUPXSA-N 323.458 2.782 0 40 DFAB COC(=O)c1ncn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)n1 58403912 MOVZBAFMMUEVHA-ZDUSSCGKSA-N 320.368 2.538 0 40 DFAB COCCOc1ccccc1NCC(=O)N[C@@H]1CCCC[C@H]1C 58440629 NROCEDXBVOGMJU-HUUCEWRRSA-N 320.433 2.819 0 40 DFAB CCOCc1nnc(NC(=O)c2ccccc2OCC)s1 58973685 CEECKXYLHNOMKD-UHFFFAOYSA-N 307.375 2.726 0 40 DFAB CCCCn1c(SCC(C)(C)O)nnc1[C@H](CC)N(C)C 65554206 YVMFRYBBZIZXGC-LBPRGKRZSA-N 314.499 2.954 0 40 DFAB COCc1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 66579554 QEBIKBXQRYTSEF-UHFFFAOYSA-N 309.362 2.914 0 40 DFAB COc1ccc(C(=O)c2c[nH]c3ccccc3c2=O)cc1OC 67340959 DWDDMTCDDMHANV-UHFFFAOYSA-N 309.321 2.776 0 40 DFAB O=C(NCc1ccncc1)NC[C@H](O)c1ccc2ccccc2c1 67580589 IUIAFPKGSJTOTM-SFHVURJKSA-N 321.380 2.768 0 40 DFAB Cc1nccn1C[C@@H](C)CNC(=O)c1cc(-c2ccccc2)[nH]n1 69389353 ASACPYOEBSRWSZ-ZDUSSCGKSA-N 323.400 2.648 0 40 DFAB CCOc1ccccc1[C@H](CC(=O)NC(C)(C)C)NC(C)=O 69451416 SGBPXRAJMFTAOC-AWEZNQCLSA-N 306.406 2.567 0 40 DFAB Cc1nc(CN2C(=O)NC3(CCCCCCC3)C2=O)cs1 69532641 KBRUVJQMIRVNPZ-UHFFFAOYSA-N 307.419 2.986 0 40 DFAB Cc1ccc(C)c(CSc2nnnn2C2CCOCC2)c1 69590865 SDMPVOMBZNXCBU-UHFFFAOYSA-N 304.419 2.934 0 40 DFAB CCN(Cc1cccc2c1OCO2)C(=O)NCc1ccccn1 69738382 BQZGLYREBVZHIG-UHFFFAOYSA-N 313.357 2.542 0 40 DFAB COc1ccc(CNC(=O)NCC2CC2)cc1Br 69812971 KWAJJNXBPPPQJN-UHFFFAOYSA-N 313.195 2.667 0 40 DFAB Cc1nn(CCO)c(C)c1CN[C@H]1CCc2c(Cl)cccc21 71837161 LCTPDXDVQWLOBS-KRWDZBQOSA-N 319.836 2.923 0 40 DFAB COc1ncccc1CNC(=O)c1sccc1OC(F)F 71847331 ALOFVIFOSZKMBU-UHFFFAOYSA-N 314.313 2.683 0 40 DFAB CCc1cc(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)[nH]n1 71850050 QJKKCMLHLGPADK-NSHDSACASA-N 301.346 2.581 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)Cc2ccc(C)nc2)c1 71865951 JRRXXHMNKHDZRQ-QGZVFWFLSA-N 312.417 2.519 0 40 DFAB CN(C(=O)c1ccc(Cl)o1)[C@@H]1CCN(c2ccccc2)C1=O 71890956 AUFYEFPEBXMTHZ-GFCCVEGCSA-N 318.760 2.811 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@H]1CCOc2ccccc21 71916040 ODQGCRLNDSLKEE-ZDUSSCGKSA-N 313.357 2.520 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2cccc3ccnn23)C2CC2)c1 72174309 PIDRVZFEMFCRGW-QGZVFWFLSA-N 306.369 2.919 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2cc(F)ccc2C)c1C 72239092 UGTMUZWCFOFGMN-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)n1 72253291 LMEGTMKAFIRRMQ-OAHLLOKOSA-N 315.421 2.815 0 40 DFAB CCOC(=O)CCN(C)C(=O)/C=C/c1ccc2ccccc2n1 72281875 GFLJGQCNHFIHCG-ZHACJKMWSA-N 312.369 2.660 0 40 DFAB COCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1nc(C)cs1 72284699 VTVGWZLLFXNLGW-CHWSQXEVSA-N 312.435 2.557 0 40 DFAB C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2nccs2)C1 72287458 XRFCZSXYTTYTPM-STQMWFEESA-N 317.414 2.712 0 40 DFAB COC(=O)[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)C1CC1 72305438 WQSFKHMOUXHCJM-ZDUSSCGKSA-N 320.776 2.513 0 40 DFAB CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H]3CC=CC[C@H]3C2)C1 73990579 DPWIAFPELHAMKP-GJZGRUSLSA-N 320.433 2.668 0 40 DFAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cnccn1 78268684 KIGLWBZNFLRNKH-UHFFFAOYSA-N 318.336 2.981 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CCNc1ccnc(C)n1 78988867 IRXGBMBSKJGXBD-UHFFFAOYSA-N 320.780 2.888 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCO)C1CC1 80178965 ILDAHTREVVVTAS-MEDUHNTESA-N 306.381 2.615 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)c1nc(C2CC2)ns1 80978957 PJFWSSRQDNFTSD-UHFFFAOYSA-N 317.340 2.811 0 40 DFAB CC[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1nc(C)n[nH]1 81845205 NKHKNGUUDHZQDW-LBPRGKRZSA-N 311.345 2.649 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 83927840 SJENNLRVFLTSEK-OAHLLOKOSA-N 303.337 2.925 0 40 DFAB Cc1cc(C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)no1 84116950 FFBAHHBVKQNVMQ-OQPBUACISA-N 312.728 2.627 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccccc2O)C1 84200033 KJMUXJJZCRKIKE-LLVKDONJSA-N 306.362 2.588 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1F 87294823 LXJXIKKXEUKINA-SJCJKPOMSA-N 320.364 2.995 0 40 DFAB Cc1cn2c(CN(C)C(=O)c3ncoc3C)c(C)nc2s1 89739100 SSORAEWDFFFMFD-UHFFFAOYSA-N 304.375 2.581 0 40 DFAB O=C(NCC(=O)N1CCCC1)[C@@H]1C[C@@H]1c1cccc2ccccc12 89873196 XJSPBQBMRAWAEM-QZTJIDSGSA-N 322.408 2.682 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1CCCCCC1)CC2 89986330 WFUPIGYCLOFZOK-CVEARBPZSA-N 309.450 2.735 0 40 DFAB CN1CCN(C)c2cc(NC(=O)Nc3ccccn3)ccc2C1 91043421 YEIKLACRDZMZIQ-UHFFFAOYSA-N 311.389 2.607 0 40 DFAB O=C(NC1CC1)c1ccnc(NC[C@H]2COc3ccccc3C2)c1 91665867 RDYSLZZBDHPJDR-ZDUSSCGKSA-N 323.396 2.637 0 40 DFAB Cc1cc(CN(C)Cc2c(C)noc2C)ccc1-n1cncn1 91812478 KNJPOXXZJDHPTB-UHFFFAOYSA-N 311.389 2.813 0 40 DFAB COc1cccc([C@H](CO)NC(=O)[C@H](C)c2ccsc2)c1 92193733 YXYDNXCJWVWKSH-ABAIWWIYSA-N 305.399 2.710 0 40 DFAB C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2 95348554 HOUPTSRGTWVQAW-LRDDRELGSA-N 311.385 2.501 0 40 DFAB CN(CC1CC1)C(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 95393327 BPWGPCPQLAJHIM-UHFFFAOYSA-N 314.364 2.766 0 40 DFAB Cc1nc(C)c(S(=O)(=O)Nc2cccnc2Cl)s1 95409099 OOPOYZPLLZCEIM-UHFFFAOYSA-N 303.796 2.609 0 40 DFAB Cc1cc2ncn(C[C@@H](O)Cn3cc(Cl)cn3)c2cc1C 95438809 DCYFZIXUTOCQRK-CYBMUJFWSA-N 304.781 2.564 0 40 DFAB O=C(NCCC1Cc2ccccc2C1)NC[C@@H]1CCC[C@H](O)C1 95440862 GIONECOUXMHCKZ-QAPCUYQASA-N 316.445 2.642 0 40 DFAB COc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1OC 95533453 ZXNDXRSAECYHIE-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c1Cl 95941834 MJGJXGBBWFEVOV-CYBMUJFWSA-N 307.825 2.786 0 40 DFAB Cc1csc(NC(=O)N[C@H](C[S@](C)=O)c2ccccc2)n1 95963833 KSPRLDCQFWBIFM-XUSGNXJCSA-N 323.443 2.693 0 40 DFAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCO)Cc1cccnc1 95977782 ZTZCPDVOOAAMKF-CABCVRRESA-N 316.426 2.576 0 40 DFAB Cc1ncsc1C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 95991339 KDMILOURWZPQKU-WBFHCKIUSA-N 310.419 2.503 0 40 DFAB C1CC(N2Cc3nnn(CC4CC4)c3[C@H](COCC3CC3)C2)C1 96045648 CEWRIORHLPFJNJ-HNNXBMFYSA-N 316.449 2.566 0 40 DFAB O=C(c1ccc2ncsc2c1)N1CCC2(CC1)OCCCO2 96120485 CHZGOXSYJHYDAE-UHFFFAOYSA-N 318.398 2.666 0 40 DFAB CCCCNC(=O)Nc1cccc(C[S@@](=O)CCOC)c1 96409018 UUNHMMLNOHMDKY-OAQYLSRUSA-N 312.435 2.503 0 40 DFAB C[C@H](CNC(=O)c1cc2ccccc2[nH]1)CC1(C)OCCO1 96418616 LVZUIRLLWGDANQ-LBPRGKRZSA-N 302.374 2.687 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)c1ccc(-n2ccnc2)cc1 96425721 INUOBLKUWMQMEI-HNNXBMFYSA-N 322.412 2.962 0 40 DFAB COc1cccc(F)c1[C@@H](C)Nc1ccc2nnc(C)n2n1 96429755 ZFYZSIFXAPYQNS-SECBINFHSA-N 301.325 2.754 0 40 DFAB COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccn(C)n1 96434415 SFOJUKBUOAYMHF-LBPRGKRZSA-N 302.378 2.524 0 40 DFAB CN(Cc1ccccc1C(F)(F)F)C1CCS(=O)(=O)CC1 96456389 CGPGAHYUIUKWQZ-UHFFFAOYSA-N 321.364 2.714 0 40 DFAB COC(=O)CN(C(=O)c1cccc2[nH]ccc12)C1CCCC1 96475413 OZYVOJUUAHMQIO-UHFFFAOYSA-N 300.358 2.726 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)o1 102747015 WAAZSQYSDMVWRB-UGQVUOCMSA-N 301.386 2.954 0 40 DFAB C/C(=C\c1ccccc1Cl)C(=O)N(C)C[C@H](C)c1nnn[nH]1 124165125 FESNPOFUUPJWKT-UQSGXBNBSA-N 319.796 2.519 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 133333933 WLEMPTQULYVBAD-YBPHZDCCSA-N 322.424 2.675 0 40 DFAB CCSc1nnc(NS(=O)(=O)c2cccs2)s1 219908720 HUAREEVPGRFKTH-UHFFFAOYSA-N 307.447 2.512 0 40 DFAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223332810 UEUPOZWBHBNNHF-SFHVURJKSA-N 310.397 2.913 0 40 DFAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC 224350711 ZFHCLFNQDAFTPP-AWEZNQCLSA-N 310.825 2.993 0 40 DFAB CCC[C@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224388264 ONKJBQLLDCOBDL-ZDUSSCGKSA-N 324.446 2.535 0 40 DFAB COc1ccc(NC(=S)NCCCOC2CCCC2)cn1 225621069 WMMCAZFXJUJHBQ-UHFFFAOYSA-N 309.435 2.726 0 40 DFAB Cn1nc(OCC(=O)N2CCc3ccccc3C2)c2ccccc21 226755042 YEMNMOYIKFLFOJ-UHFFFAOYSA-N 321.380 2.537 0 40 DFAB CCOc1ccccc1CCC(=O)NCCCc1cnoc1 244950861 FPEAUWVXPHXPMF-UHFFFAOYSA-N 302.374 2.755 0 40 DFAB COC(=O)[C@H](Sc1nccn2ccnc12)c1ccsc1 252480039 BSNYTASEAJLAHH-SNVBAGLBSA-N 305.384 2.797 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCOc2ccccc2F)C1 257276729 NUWSZNSEKOXJEV-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 257299220 RPDWTMXTFXJKHC-ZDUSSCGKSA-N 313.405 2.537 0 40 DFAB COc1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1C 260845631 VEWQBICANRHPHB-AWEZNQCLSA-N 304.434 2.855 0 40 DFAB CCOC(=O)c1cc(-c2ccc(-n3cccn3)c(F)c2)on1 260880233 SKUBVHAMFDPQSC-UHFFFAOYSA-N 301.277 2.843 0 40 DFAB COCC1(C)CCN(C(=O)CCc2ccccc2C(=O)O)CC1 262716253 CSQBYVMNXWDXTL-UHFFFAOYSA-N 319.401 2.593 0 40 DFAB CC(C)CCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408709402 SDMJJIQLYILTOB-UHFFFAOYSA-N 306.406 2.822 0 40 DFAB C[C@H](NC(=O)Cc1cncn1C)c1cc2cccc(F)c2o1 530509896 GXCWWTZUNUWIID-JTQLQIEISA-N 301.321 2.725 0 40 DFAB Cc1nc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)oc1C 578369430 KLQSPNIBRCIKLK-KRWDZBQOSA-N 300.358 2.520 0 40 DFAB O=C(NCCCc1ccccc1)N1CC(OCC(F)(F)F)C1 585365652 OQHDQNNSXHRNLR-UHFFFAOYSA-N 316.323 2.592 0 40 DFAB Cc1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)no1 655265280 NNIZKOTZFUOVPP-UHFFFAOYSA-N 322.368 2.946 0 40 DFAB O=C(N[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)C1CC1 1058097234 SQNCACGRYFQFOW-VIFPVBQESA-N 319.352 2.657 0 40 DFAB C[C@@]1(C(=O)OCC2CSC2)CCCN1C(=O)c1ccccc1 1548595269 JQTIHHLKRNJHKH-KRWDZBQOSA-N 319.426 2.588 0 40 DFAB CCOCC(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888863952 KGQMUQVLXPYCHD-UHFFFAOYSA-N 301.390 2.580 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc1 1889117809 DYKSNJWQRHARAS-MRXNPFEDSA-N 316.449 2.793 0 40 DFAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cscn2)c1 1889122783 CMCBKSLABGBIEQ-FUNVUKJBSA-N 302.403 2.656 0 40 DFAB COC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2OC)c1 8987184 HBNNHYFCYHGGQS-UHFFFAOYSA-N 313.353 2.971 0 40 DFAB Cc1cn2c(CN[C@H](C)[C@H](C)n3cccn3)c(C)nc2s1 78789716 QXXBAEDLZBCSAC-YPMHNXCESA-N 303.435 2.948 0 40 DFAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2nc[nH]n2)o1 78756365 LJFBSAZXADMYOM-YPMHNXCESA-N 302.378 2.639 0 40 DFAB C[C@H](CO[C@H]1CCOC1)NC(=O)/C=C/c1cccc(Cl)c1 79057729 ZCXJTHZJHOXTTL-RQMLTQGYSA-N 309.793 2.663 0 40 DFAB CCOP(=O)(CCN1C(=O)c2ccccc2C1=O)OCC 1718959 IQYFOIPYVGDPHE-UHFFFAOYSA-N 311.274 2.549 0 40 DFAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCO1 54084719 USKABCIMCDCZLR-KRWDZBQOSA-N 313.401 2.647 0 40 DFAB COc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1 816158 VXFBJWOMNWPJLZ-CYBMUJFWSA-N 311.337 2.941 0 40 DFAB Cc1c(C(=O)O)cc(-c2ccccc2)n1CCSCCO 2380623 ZRGONDPMOQPTPL-UHFFFAOYSA-N 305.399 2.887 0 40 DFAB O=C(COC(=O)c1ccccc1F)Nc1ccc(F)cc1F 3394469 BHONREIZHSPRFZ-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CCCNC(=O)CCCc1nc(-c2ccccc2OC)no1 4434038 UCVUBBCTPPFLGH-UHFFFAOYSA-N 303.362 2.594 0 40 DFAB COc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1F 8987708 FZEHVYKLOSHXTB-UHFFFAOYSA-N 308.397 2.829 0 40 DFAB O=C(NCc1ccccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 106142772 ZPHIEVTXTYPSBP-ZOBUZTSGSA-N 314.429 2.576 0 40 DFAB COc1cccc(CNC(=O)N[C@H](C)c2ccncc2)c1OC 56445329 OEWLOSXQGGVZAB-GFCCVEGCSA-N 315.373 2.659 0 40 DFAB Fc1ccc(CNCc2cccnc2-n2cccn2)c(F)c1 95350108 HHWCEXLQRVBUNN-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB CCN(CC)CCN(CC(C)C)C(=O)[C@@H](C)OCC(C)C 58161962 XITRWLIYDCTYTK-MRXNPFEDSA-N 300.487 2.874 0 40 DFAB Cc1cccn2cc(COc3ccc(Cl)cc3C(N)=O)nc12 12535865 RBCBNMVKCRJEAB-UHFFFAOYSA-N 315.760 2.974 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1 1918916 NSHNGRDDVWXXDM-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccncc1 58014295 JTHNIDZAISLVNH-KRWDZBQOSA-N 309.413 2.724 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3264124 ZNXJZTSRACTRHY-UHFFFAOYSA-N 319.338 2.581 0 40 DFAB COCCN1CCCN(C(=O)C[C@H](C)c2ccccc2F)CC1 75582419 KRIGCHWGZAYQEC-HNNXBMFYSA-N 322.424 2.500 0 40 DFAB CCCc1noc([C@@H](C)N[C@@H]2CCCc3c2cnn3CC)n1 76046990 CAXAIKDBLREWSP-DGCLKSJQSA-N 303.410 2.967 0 40 DFAB CCN(CC)CC1CCN(C(=O)Cc2ccccc2F)CC1 58391440 XDOGWUNBLJROPH-UHFFFAOYSA-N 306.425 2.949 0 40 DFAB C[C@@H](N(C)C(=O)Cn1ccc(=O)c2ccccc21)C(C)(C)C 58328917 HJZACEUPNURRSP-CYBMUJFWSA-N 300.402 2.895 0 40 DFAB CCN1CC[C@]2(CCCN(C(=O)c3cccc(C)c3)CC2)C1=O 108529108 MTIBVXLCZVRHEI-IBGZPJMESA-N 314.429 2.860 0 40 DFAB O[C@@](CCN1CCOCC1)(c1ccccc1)c1ccc(F)cc1 27346086 UTVHVRXKPMZXFT-IBGZPJMESA-N 315.388 2.784 0 40 DFAB COc1ccc(CC(=O)Nc2cc(-c3cccnc3)no2)cc1 65152668 WWFDKMLUMGDATN-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1cccc(F)c1 55863037 WVTBQOBYCYNDNH-MRXNPFEDSA-N 324.359 2.934 0 40 DFAB Oc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 29359457 QKOGUCJYUPINIQ-UHFFFAOYSA-N 324.306 2.528 0 40 DFAB CC(=O)NCC1CCN(C(=O)c2cccc3ccccc23)CC1 48357166 JYRWYPMBDDWTPE-UHFFFAOYSA-N 310.397 2.828 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN(CC(N)=O)C1CCCC1 48324840 ZHUZZDHSUSOQHD-UHFFFAOYSA-N 313.401 2.880 0 40 DFAB COCCNC(=O)c1ccccc1COc1ccc(F)cc1F 2788377 TTXPVHWKWOXAFU-UHFFFAOYSA-N 321.323 2.920 0 40 DFAB COC[C@@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccco1 95410357 ARANARLZYKBVBS-PBHICJAKSA-N 324.421 2.598 0 40 DFAB CSc1nc2nccc(-c3ccc(C(F)(F)F)cn3)n2n1 22996593 KPGNMCSMMULKER-UHFFFAOYSA-N 311.292 2.927 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1Cl 170337984 IOCRSFVMBYKDDW-FZMZJTMJSA-N 308.809 2.651 0 40 DFAB CCCNC(=S)NC[C@H](c1ccccc1OC)N1CCCC1 21334348 UUNBSWIUIPIVTL-OAHLLOKOSA-N 321.490 2.706 0 40 DFAB COCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1C 27530760 BUYQAUNKMRVXJL-UHFFFAOYSA-N 312.218 2.617 0 40 DFAB C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cnn(C)c1 95413532 URYKKRMZWJHUNY-LBPRGKRZSA-N 322.359 2.958 0 40 DFAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccn1 9236056 PVORLFBKSZQDMM-UHFFFAOYSA-N 314.385 2.780 0 40 DFAB Cc1nnc(SCC(=O)Nc2cc(F)ccc2F)s1 4118492 UBQTZCDEDJOSGN-UHFFFAOYSA-N 301.343 2.856 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCOC2)ccc1NC(=O)CC(C)C 95401643 NNSLLRZHRPLPGT-OAHLLOKOSA-N 318.417 2.888 0 40 DFAB COc1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1 6231124 QQGVLFFYJSRRCY-UHFFFAOYSA-N 303.333 2.838 0 40 DFAB O=C(COC(=O)c1[nH]nc2ccccc12)c1ccc(F)c(F)c1 5360485 CSACTTGWRKZMBZ-UHFFFAOYSA-N 316.263 2.881 0 40 DFAB CCOc1ccc([C@H]2NC(=O)c3cccnc3N2)cc1OCC 65608306 CIRJOCVJOPQZMM-OAHLLOKOSA-N 313.357 2.733 0 40 DFAB CCCNC(=O)N(CC)Cc1nc(-c2ccc(OC)cc2)no1 4512783 DUOMQPNQAYWGLB-UHFFFAOYSA-N 318.377 2.687 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1Br 4548227 VSSSUGADKMJOCR-UHFFFAOYSA-N 323.190 2.814 0 40 DFAB CC(=O)c1c(C)nn(S(=O)(=O)c2c(C)cc(C)cc2C)c1C 4666958 SVDLCWLAYSVXHX-UHFFFAOYSA-N 320.414 2.865 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786925 NQADJLRNXIMPSM-UHFFFAOYSA-N 317.366 2.675 0 40 DFAB Cc1cccc2cc(CN(C)C(=O)c3cccnc3)c(=O)[nH]c12 5818551 XSLHCCUMBUAQKP-UHFFFAOYSA-N 307.353 2.504 0 40 DFAB CN(C)C(=O)c1cccc(Oc2ncc(Br)cn2)c1 67350593 FPHAUVGSGPDHIT-UHFFFAOYSA-N 322.162 2.733 0 40 DFAB C[C@@H](Nc1ncnc2sccc12)[C@@H](O)c1ccc(O)cc1 7982140 XLVOCDGRVHJEAH-NOZJJQNGSA-N 301.371 2.931 0 40 DFAB COc1ccnc(NC[C@@H](O)c2ccccc2C(F)(F)F)n1 68998357 ITYDSOHUGOGDOK-LLVKDONJSA-N 313.279 2.650 0 40 DFAB COc1ccccc1[C@H](O)CNCc1c[nH]nc1C(C)(C)C 71819637 JXJDWNNBAGCLAL-CQSZACIVSA-N 303.406 2.539 0 40 DFAB c1ccc(Cc2noc(CN3CCC[C@H]3Cn3cccn3)n2)cc1 70039413 DZPFCDWYOOEWEU-INIZCTEOSA-N 323.400 2.522 0 40 DFAB O=C(NC[C@@H](O)C1CCCCC1)c1ccn(-c2ccccc2)n1 69493927 QOGGLIDFDXNMOX-QGZVFWFLSA-N 313.401 2.543 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cccc(OCCn2cncn2)c1 69416041 BGVOLKFOUUGWNV-CQSZACIVSA-N 312.373 2.652 0 40 DFAB CCCc1noc(CN2CCC[C@H]2c2nncn2CC(C)C)n1 71915954 RZVGBEBXUKMQKP-ZDUSSCGKSA-N 318.425 2.607 0 40 DFAB Cc1cccc([C@@H](C)NC(=O)c2cc(C(N)=O)cs2)c1C 71908952 YGCDMMCLDYTZPW-LLVKDONJSA-N 302.399 2.955 0 40 DFAB CC[C@H](CO)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 71913839 MVNPRKTUZQTUSM-SNVBAGLBSA-N 312.295 2.740 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2C)c1C 69537790 LTARPXCUFRASJX-LNSITVRQSA-N 318.442 2.799 0 40 DFAB O=C(NCCCNC(=O)c1cccs1)c1cc(F)cc(F)c1 69533298 QTMKQIZCDQFJBM-UHFFFAOYSA-N 324.352 2.576 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)no1 70842318 UJKHKZKTOVPGRM-NSHDSACASA-N 318.377 2.763 0 40 DFAB Cc1ncsc1C(=O)OCCNc1ncnc2ccccc12 84065673 GDYRBGVNNDFDSZ-UHFFFAOYSA-N 314.370 2.664 0 40 DFAB CCn1c([C@@H]2CCCN2Cc2nnc(C)n2C)nc2ccccc21 84131182 LBGVLENSXJUEHM-INIZCTEOSA-N 324.432 2.830 0 40 DFAB Cc1nccnc1OC[C@H]1CCCCN1C(=O)OC(C)(C)C 72202862 PIJNZIIVTMJJIQ-CYBMUJFWSA-N 307.394 2.953 0 40 DFAB CCOc1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)cc1OC 72287196 SNOXHXMSIWCYMO-ZDUSSCGKSA-N 309.406 2.621 0 40 DFAB O=c1ccnc(/C=C/c2cc(Br)cc3c2OCC3)[nH]1 97142094 IWTSXUNPIPDYGZ-OWOJBTEDSA-N 319.158 2.638 0 40 DFAB Cc1ccc([C@H](C)NC(=O)NCCC2(C)OCCO2)cc1F 97115821 ORWNMDYIRZHRNU-LBPRGKRZSA-N 310.369 2.647 0 40 DFAB C[C@H](NC[C@H]1CCC[C@@H]1O)c1ccc(N2CCCC2=O)cc1 95968665 ZKMGESZZBHENLM-LXZKKBNFSA-N 302.418 2.625 0 40 DFAB COc1ccc(OC)c(NC(=O)C[C@@H](C)[C@@H]2CCCNC2)c1 95967037 HUGUXFPHWQFYQV-CHWSQXEVSA-N 306.406 2.668 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H]1CCCN1C 95955523 KZPAOUPPUIAQQR-NSHDSACASA-N 305.403 2.536 0 40 DFAB COc1ccc(CCN[C@@H](C)Cn2cnc(C)c2C)cc1OC 89547609 QLLGNVKEADMFLQ-ZDUSSCGKSA-N 317.433 2.738 0 40 DFAB Cc1ccc([C@H](O)CN[C@H]2CCN(CCc3ccccc3)C2)cc1 89629832 HYRYGUPLYIWXBD-LEWJYISDSA-N 324.468 2.935 0 40 DFAB O=C([C@H]1CCCOC1)N1CCn2cccc2[C@@H]1c1ccccc1 89828147 AIGXVNZXPMRWCW-WMZOPIPTSA-N 310.397 2.846 0 40 DFAB CCCC1(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCC1 89949889 SQYTVHJOMUTUEU-HNNXBMFYSA-N 306.450 2.722 0 40 DFAB Cc1ccc(F)c(C(=O)NCC[S@@](=O)c2ccccc2)c1 78914703 YQNPAUQDWLGOQC-NRFANRHFSA-N 305.374 2.672 0 40 DFAB O=C(Nc1cccc(CNc2cccc(F)n2)c1)[C@@H]1CCCO1 67903779 JPXIKCCAZROPMY-AWEZNQCLSA-N 315.348 2.950 0 40 DFAB COC(=O)c1ccc2nc(NC(=S)N3CCCC3)sc2c1 409188837 GUTFWXLMUZBTFT-UHFFFAOYSA-N 321.427 2.876 0 40 DFAB CN(C)c1cccc([C@H]2CCCN2Cc2cc(=O)c(O)co2)c1 75838772 DWMLUXKNJPQIJB-MRXNPFEDSA-N 314.385 2.749 0 40 DFAB CC(=O)N1CC[C@@H]1c1cc(N(C)C2CCCCC2)nc(C)n1 72386534 MRBUSHPPIQYXRD-MRXNPFEDSA-N 302.422 2.847 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CN)[C@@H]2c2ccc(F)cc2)cc1 218628163 KJTHRZUGMDHPDK-YESZJQIVSA-N 319.401 2.649 0 40 DFAB C#CCOc1ccc2ccccc2c1[C@@H]1N[C@H](C(=O)O)CS1 75259980 RZYWFZDUDGLAAX-XJKSGUPXSA-N 313.378 2.640 0 40 DFAB CO[C@H]1CCN(CCOc2cccc(C(=O)O)c2)CC1(C)C 565256014 WLHORJGTUROVLX-HNNXBMFYSA-N 307.390 2.511 0 40 DFAB COc1cccc(CN2CCC[C@H](c3n[nH]c4nccnc34)C2)c1 72393822 PWMHUYJKVHLMCR-AWEZNQCLSA-N 323.400 2.741 0 40 DFAB CN(Cc1cscn1)C(=O)CSCC(=O)c1ccccc1 79330754 UZUJZMMOJSNZSP-UHFFFAOYSA-N 320.439 2.718 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)C1CCC(Cn2cnnn2)CC1 40288461 BLLISHZBPJRDOM-QQFBHYJXSA-N 321.469 2.811 0 40 DFAB CC[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 40074121 RTKKQIIKJXWAJV-BBRMVZONSA-N 324.852 2.876 0 40 DFAB COc1ccc(S[C@H](C)C(=O)NCCCN2CCCC2)cc1 44900061 MHEIDFLZFYGVBO-CQSZACIVSA-N 322.474 2.778 0 40 DFAB C[C@@H]1Cc2ccc(N)cc2N1S(=O)(=O)c1ccc(F)cc1 225328208 QWINSBUHTSVFDQ-SNVBAGLBSA-N 306.362 2.548 0 40 DFAB CN1CCC[C@](O)(CN(Cc2ccccc2)c2ccccn2)C1 41124036 JJHNIRJZTQDFPC-LJQANCHMSA-N 311.429 2.545 0 40 DFAB O=C(NCc1cccs1)c1nnc2ccc(Cl)cc2n1 46088902 YBIKZNARFAXOJV-UHFFFAOYSA-N 304.762 2.670 0 40 DFAB Cc1cccc(OCCNS(=O)(=O)c2cccs2)c1C 223964203 QIJLNFSYJGMCSU-UHFFFAOYSA-N 311.428 2.722 0 40 DFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)s2)c1 225388482 CYCDPFKNIZUHQV-UHFFFAOYSA-N 314.363 2.646 0 40 DFAB O=C(NCc1nncn1C1CC1)Nc1cc(Cl)ccc1F 85551129 WDBBGPLUONQTGI-UHFFFAOYSA-N 309.732 2.727 0 40 DFAB COc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1F 46960178 WROCEIVZWZSZOG-CYBMUJFWSA-N 308.397 2.686 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](CO)[C@@H]1c1ccccc1 225634934 LWUQMQUMQLZFBY-PMPSAXMXSA-N 322.813 2.888 0 40 DFAB Brc1cc(I)cn2ccnc12 222534663 JCXIWWQBGYRJEV-UHFFFAOYSA-N 322.931 2.701 0 40 DFAB O=C(N[C@H]1CCCCC[C@H]1CO)c1c(F)ccc(F)c1F 195567570 OGIUGXWIIKYDBE-CABZTGNLSA-N 301.308 2.775 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccccn1 96223884 SDLONFKGAJDEDI-UHFFFAOYSA-N 308.341 2.633 0 40 DFAB COCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1NC1CC1 96466402 LAFJIZBUFNTRGK-JTQLQIEISA-N 312.797 2.904 0 40 DFAB COC(=O)C[C@H](c1ccco1)c1c(O)ccc2nsnc12 96224228 VPFMXKXHWBDVBF-MRVPVSSYSA-N 304.327 2.685 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3cc(O)ccc3O2)C1 96319621 RXKIZACFDZAZHT-KRWDZBQOSA-N 319.357 2.737 0 40 DFAB Cc1ccc(C(=O)N2CCC(OC3CCOCC3)CC2)s1 96416489 PWVWLVUCPQOMEQ-UHFFFAOYSA-N 309.431 2.857 0 40 DFAB CN(C)C(=O)c1cc(Br)c(O)c(Br)c1 96486171 VFVJOOLUJJRVEV-UHFFFAOYSA-N 322.984 2.619 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)NC[C@H]1CCOc2ccccc21 96500147 MNGAEEOHCPYUEL-CABCVRRESA-N 318.417 2.811 0 40 DFAB Cn1cc(C(=O)OCc2cc3c(Cl)cccc3[nH]2)ccc1=O 96461307 QSXQQWSGNDERAT-UHFFFAOYSA-N 316.744 2.877 0 40 DFAB CCCNC(=O)c1cccc(C(=O)N[C@@H](C)c2nccs2)c1 96420523 OMOCIKRDDDCLKZ-NSHDSACASA-N 317.414 2.774 0 40 DFAB CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccon2)c1 96493027 QQJOUDAMHOBOAP-UHFFFAOYSA-N 302.330 2.560 0 40 DFAB Cc1cccc(CN2CC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 96218950 UJIULTFOMYEFJM-OALUTQOASA-N 324.428 2.631 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)[C@@H](C)Oc1ccccc1 95438104 BNHXGSCBAXQZKF-AIANPOQGSA-N 320.433 2.645 0 40 DFAB O=C1N(c2ccccc2)CC[C@@]12CCCN(c1ncccn1)C2 96074031 JQXOJXGWZJDYOG-GOSISDBHSA-N 308.385 2.500 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(F)nc1 69704784 SHDCPMAYNCXLRP-UHFFFAOYSA-N 302.305 2.612 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)n1 257215747 CRLZRLFOWSOXDR-MRXNPFEDSA-N 320.396 2.906 0 40 DFAB O=C(Cc1ccc(F)c(Cl)c1)N1CC[C@H](c2ccn[nH]2)C1 257292096 QJYMKRZEFKBSDB-NSHDSACASA-N 307.756 2.761 0 40 DFAB Cc1cc(CN2CCC[C@H](c3ccnc(N(C)C)c3)C2)no1 257260016 LAZWSSLSEUEROD-HNNXBMFYSA-N 300.406 2.824 0 40 DFAB Cc1cnn(CC(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)c1 257270725 MVKWMNGWSJQZAM-QGZVFWFLSA-N 312.417 2.519 0 40 DFAB Cc1nnc(CS(=O)(=O)[C@H]2CCCc3ccccc32)s1 271520572 OHUZHOZUPLPHQC-ZDUSSCGKSA-N 308.428 2.839 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)C2CCCC2)C1 585275074 VVIGDCWANZSRPR-GOSISDBHSA-N 303.402 2.527 0 40 DFAB O=C1CCc2cc(OCCCC(=O)N3CCCCC3)ccc2N1 29054258 SSSVEQKYZDBSBB-UHFFFAOYSA-N 316.401 2.743 0 40 DFAB CC(C)/C(O)=N/S(=O)(=O)c1ccc(Br)cc1 46708996 FLDADJDRRVHQFO-UHFFFAOYSA-N 306.181 2.750 0 40 DFAB COc1ccccc1NC(=O)CN1CCS[C@@H](C(C)C)C1 72836784 WCFQMOFIBYSFGM-OAHLLOKOSA-N 308.447 2.707 0 40 DFAB Cc1c([C@@H](C)NC(=O)[C@H]2CSC(=O)N2)oc2ccc(F)cc12 73250875 LLWSOJPTBZLFTN-LDYMZIIASA-N 322.361 2.883 0 40 DFAB O=C1Cc2cc(CCCc3nc(-c4ccncc4)no3)ccc2N1 74455408 HSBKKKRSGOHIBU-UHFFFAOYSA-N 320.352 2.802 0 40 DFAB CN(Cc1ccco1)C(=O)COC(=O)c1cc2ccccc2o1 39475622 DAWLKHHAXYRVRY-UHFFFAOYSA-N 313.309 2.841 0 40 DFAB C[C@H](NC(=O)Cc1cnc[nH]1)c1ccc2nc(C3CC3)[nH]c2c1 1553985759 TUFDXEKEBHMXTI-JTQLQIEISA-N 309.373 2.583 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 13550003 BUWAXWHRGPFRET-GEEKYZPCSA-N 309.365 2.787 0 40 DFAB COc1cccc(CN2CCN(Cc3ccco3)[C@@H](C)C2)c1 19575658 ZZKXUZLWBIBICS-HNNXBMFYSA-N 300.402 2.995 0 40 DFAB CCc1cc(N)cc(Br)c1N1CCN(CC)CC1 226315964 OIRQCYUHDYUVLT-UHFFFAOYSA-N 312.255 2.736 0 40 DFAB O=Cc1cccc(OCCN2CCN(c3ccccc3)CC2)c1 31977606 WWRSNLHXZSCLAW-UHFFFAOYSA-N 310.397 2.700 0 40 DFAB CC(C)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11407362 VOZYRCYVQRSACQ-UHFFFAOYSA-N 301.365 2.886 0 40 DFAB COc1ccc2c(C)cc(N3CCC4(CC3)OCCO4)nc2c1 1888941643 AUSYJKHYHBGIGA-UHFFFAOYSA-N 314.385 2.895 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)COc2ccccc21 15006981 VDEGSCZVLNNDRQ-AWEZNQCLSA-N 318.417 2.743 0 40 DFAB NC(=O)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 7459486 JQJUZOBCYHRXPH-UHFFFAOYSA-N 307.444 2.569 0 40 DFAB CCn1ncc(Br)c1C(=O)NCCc1ccccc1 28304807 ASTKHUKGFJTIBQ-UHFFFAOYSA-N 322.206 2.638 0 40 DFAB O=C(c1ccco1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238866334 LVXJYCSSZRZAES-KGLIPLIRSA-N 309.325 2.686 0 40 DFAB C[C@H]1CC[C@H]2[C@H]3C[C@@H]4C[C@]2(O)[C@@]2(C[C@H](O)[C@H]5CCCC[C@H]5[C@H]42)N13 2048392568 AGKXKKZYQAPZDW-TZATZJLBSA-N 317.473 2.550 0 40 DFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O 30377716 UQNAUYGTLUOQDO-NHYWBVRUSA-N 316.401 2.545 0 40 DFAB CC(C)(C)c1nnc(Cn2cccc(C(F)(F)F)c2=O)o1 40505626 BEXAIWQUDBMQKZ-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1 40554559 TUMXYPCABCUDPN-UHFFFAOYSA-N 312.247 2.834 0 40 DFAB Cn1cc(CNC(=O)Nc2ccc(Oc3ccncc3)cc2)cn1 51647359 JLYULAXHWCSHEA-UHFFFAOYSA-N 323.356 2.929 0 40 DFAB Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCC(C)C 32768300 YOZOZHZRIWIJGK-UHFFFAOYSA-N 315.373 2.930 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)Cc2ccc(C)cc2)c1 32931511 STRRQCOZRWLZLC-UHFFFAOYSA-N 310.397 2.604 0 40 DFAB Cc1cc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)on1 61166239 DQAVVZNXVNFWJG-UHFFFAOYSA-N 304.346 2.589 0 40 DFAB CCOc1ccc2nc(NC(=O)c3ccn(C)n3)sc2c1 182245 UYOHKVXVDISMOA-UHFFFAOYSA-N 302.359 2.681 0 40 DFAB CN1CCC(N(Cc2ccccc2)C(=O)C2=CCCCO2)CC1 84365049 KEKQGKYYDLFBRI-UHFFFAOYSA-N 314.429 2.804 0 40 DFAB CCn1nc(C)cc1C(=O)OC[C@@H]1CCN(c2ccccc2)C1 78948491 NKOFDOKNBIHHEA-OAHLLOKOSA-N 313.401 2.895 0 40 DFAB Cc1cc(CNS(=O)(=O)c2ccccc2C(C)(C)C)no1 78903913 FYEGUOKHXYYPJY-UHFFFAOYSA-N 308.403 2.759 0 40 DFAB Cn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 3037884 QNRLCFWRCWEYIG-UHFFFAOYSA-N 312.300 2.636 0 40 DFAB CN(C)C1(CNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 7782055 ZRCHVVUEFSLPRW-ZNMIVQPWSA-N 309.523 2.904 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1 7900689 XUFGDDBLBCYYRW-UHFFFAOYSA-N 301.371 2.926 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 100395153 ANPKQPKERIPPSY-GBALJZQLSA-N 322.408 2.726 0 40 DFAB CC[C@@H](NCc1nccc(N)n1)c1nc(C(F)(F)F)cs1 97373953 HMEYILJOIQQXGK-SSDOTTSWSA-N 317.340 2.775 0 40 DFAB CCOC(=O)c1cn2cccc(OC(=O)c3ccccc3)c2n1 20031960 SLPYFHMMEKAEHP-UHFFFAOYSA-N 310.309 2.730 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@H]1Cc2ccccc2O1 57222146 DBJHNOGJSPTHFZ-MRXNPFEDSA-N 320.352 2.518 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 44123866 YXHFEDZYPDNGAB-WFASDCNBSA-N 319.405 2.972 0 40 DFAB O=C(N[C@@H]1CCc2c(Br)cccc21)c1csnn1 57688670 GUSBBJGKLUAWQE-SNVBAGLBSA-N 324.203 2.718 0 40 DFAB CC1(CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCCC1 108933025 NBECDIWDKWLHGD-CQSZACIVSA-N 306.410 2.764 0 40 DFAB O=C(Nc1nncs1)c1ccc(N2CCCCCCC2)nc1 84425479 HKMAMILJHIKVES-UHFFFAOYSA-N 317.418 2.956 0 40 DFAB COCCSCC(=O)Nc1ccccc1NCC(F)(F)F 58004599 LVANVFDBQXKTBS-UHFFFAOYSA-N 322.352 2.979 0 40 DFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCn1ccnc1 20495015 DRKRCJLCCIIJSB-INIZCTEOSA-N 315.417 2.864 0 40 DFAB CC(C)COCCC(=O)NCc1ccc(-n2ccnc2)c(F)c1 58210672 NIXXMCXSPJBESS-UHFFFAOYSA-N 319.380 2.690 0 40 DFAB O=C(NCC1CCCC1)N[C@@H](Cn1cncn1)c1ccccc1 58230440 YZYRWPDRBIVSEK-INIZCTEOSA-N 313.405 2.509 0 40 DFAB O=C(NCCCn1cccn1)N[C@@H]1CCSc2ccccc21 44949832 KJLGCFGYKVLOPP-CQSZACIVSA-N 316.430 2.810 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cn1 44972074 OUDMVMPONDBKDO-LLVKDONJSA-N 318.377 2.803 0 40 DFAB COC(=O)N1[C@H]2C=C[C@@H](C2)N1C(=O)Nc1ccc(Cl)cc1 104822459 UYRRFYWYXVLLMV-RYUDHWBXSA-N 307.737 2.868 0 40 DFAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(F)cc1F 58328090 GFHSQIDRKANNRE-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 58405314 WVKFLIZZYBWUEQ-SMDDNHRTSA-N 302.422 2.801 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)c1nc(-c2cccnc2)no1 58633586 RVZYHZUOKQTNNY-JTQLQIEISA-N 311.297 2.755 0 40 DFAB O=c1c(Br)cc(Br)cn1C(F)F 116945769 QYKJBVNDBGNFBG-UHFFFAOYSA-N 302.900 2.768 0 40 DFAB COc1cc(NC(=O)c2cccc3c2OCCO3)cc(OC)c1 60135320 YOXVBFPFUKOSOF-UHFFFAOYSA-N 315.325 2.727 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCN2CCCC[C@H]2C1 45745822 ZLGXWOGKVUMPSG-INIZCTEOSA-N 311.429 2.797 0 40 DFAB O=C(COC(=O)COc1ccccc1)Nc1cc(F)ccc1F 3388526 VKTVNBBPSVWGRH-UHFFFAOYSA-N 321.279 2.526 0 40 DFAB CCOc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1OC 48383401 CUBSMEQVCFRFMS-STQMWFEESA-N 319.357 2.699 0 40 DFAB CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 12254788 FWOLBRZIJCFMOZ-UHFFFAOYSA-N 308.382 2.972 0 40 DFAB COc1ccc(CCC(=O)NCCCOC(C)C)cc1OC 20105881 VQSNJYQOOKWRMX-UHFFFAOYSA-N 309.406 2.568 0 40 DFAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(O)cc1O 3529479 KDUSNRGHLXFLKM-UHFFFAOYSA-N 311.293 2.619 0 40 DFAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12976065 RYWBPXWTJQKCQG-UHFFFAOYSA-N 316.382 2.709 0 40 DFAB Cc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 12993855 XYYBXTLRPOJJLP-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB CCOc1cc(C(=O)NC2(C(=O)O)CCCCC2)ccc1OC 13168496 CJQYNNBSOCGXID-UHFFFAOYSA-N 321.373 2.611 0 40 DFAB CCNC(=O)NC(=O)CS[C@@H](C)c1c(F)cccc1F 49065144 BCYWKGPXXAOSGC-QMMMGPOBSA-N 302.346 2.605 0 40 DFAB CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 5362795 RGYRODLSVPIGHU-UHFFFAOYSA-N 322.393 2.814 0 40 DFAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1ccc(Cl)cc1 14166152 VTFROHRJUPPPSG-QMMMGPOBSA-N 323.805 2.923 0 40 DFAB COc1ccc2nc(NC(=O)N[C@@H](C)[C@H]3CCCO3)sc2c1 65607968 HGTMMAIOHCMZHB-JOYOIKCWSA-N 321.402 2.994 0 40 DFAB CCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1 65606874 BFGWKFAMBCWLTR-MRXNPFEDSA-N 300.358 2.940 0 40 DFAB CC[C@@H](NC(N)=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 14229802 UNKSEXAUFGPTEZ-GFCCVEGCSA-N 318.402 2.504 0 40 DFAB CC1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 5524035 ZTUMECIWPKRAKR-UHFFFAOYSA-N 300.402 2.795 0 40 DFAB COC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)c(C)c1 71794776 DFYRPHJFXOEMCM-UHFFFAOYSA-N 319.357 2.755 0 40 DFAB CC(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819243 XTCKMVFGRIYROS-UHFFFAOYSA-N 309.369 2.879 0 40 DFAB O=C([C@@H]1COc2ccccc21)N1CCOC[C@H]1c1ccccc1 96433020 UIRHHTBVDBBEGU-SJORKVTESA-N 309.365 2.763 0 40 DFAB COc1cccc(CCNC(=O)[C@H]2COc3ccccc3C2)c1 48345108 YNNPWNVPJYBFNE-MRXNPFEDSA-N 311.381 2.605 0 40 DFAB COc1ccc(C2=N/C(=C\c3csc(C)n3)C(=O)O2)cc1 8179184 KCRNIHWZIZKQCQ-QPEQYQDCSA-N 300.339 2.805 0 40 DFAB CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCc2ccccc21 8126231 AEIDONWFZBMVET-OAHLLOKOSA-N 317.433 2.620 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 71835098 JQAUFDLVIPSDCG-HIFRSBDPSA-N 316.401 2.530 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)Nc1ccc(F)cc1F 69596450 RJTWEPWYSILKPS-UHFFFAOYSA-N 319.271 2.665 0 40 DFAB Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1 17477499 YKJSVWQUYVQFTQ-UHFFFAOYSA-N 321.174 2.558 0 40 DFAB O=C(O)COc1ccc(NC(=S)NC2CCCCC2)cc1 408547809 AAWXIBBLSTVSCC-UHFFFAOYSA-N 308.403 2.769 0 40 DFAB CC(C)c1nnc2n1CCN(Cc1ccc(-n3ccnc3)cc1)C2 69947319 PVNBTTWDIGINDB-UHFFFAOYSA-N 322.416 2.603 0 40 DFAB CCc1cnccc1C(=O)N[C@@H](C)c1cccc(-n2cncn2)c1 97034984 HDSMZMXGJKLMCQ-ZDUSSCGKSA-N 321.384 2.716 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)CCn2ccnc2)n1 72273916 BRIVZVLUMOBYHI-CYBMUJFWSA-N 304.419 2.792 0 40 DFAB CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)oc2ccccc23)C1=O 72292002 YHYOSBJFALLLJN-CQSZACIVSA-N 323.352 2.938 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C2 72279170 ODHGCHKBTQJYGK-HNNXBMFYSA-N 314.433 2.936 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNCc2cn3ccsc3n2)o1 97160107 OSVRFUYGQFMCJS-UHFFFAOYSA-N 313.386 2.977 0 40 DFAB C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CCOC1 95967842 BARVRJBDFHTCCF-BXKDBHETSA-N 302.187 2.898 0 40 DFAB Cc1cccc(-c2noc(CN3CC(n4cc(C)cn4)C3)n2)c1 75132540 RQENWOBZWQQNED-UHFFFAOYSA-N 309.373 2.607 0 40 DFAB C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12 89901178 LVIDVILDFMXVIG-CYBMUJFWSA-N 318.421 2.679 0 40 DFAB COc1ccc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)cc1 64988183 PGLBUTLUTYMMCK-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2ccc(CO)cc2Cl)cc1 409116892 MOMRYHCQSVKSCZ-UHFFFAOYSA-N 312.774 2.908 0 40 DFAB O=C(COC1CC1)Nc1ccc(-n2cnc3ccccc32)nc1 1532769526 QLCQSUUIWFLDNX-UHFFFAOYSA-N 308.341 2.538 0 40 DFAB CSCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 6182746 UVDYSFUJMCKZLH-UHFFFAOYSA-N 312.394 2.803 0 40 DFAB biogenic Cc1c(NC(=O)COC[C@H]2CCCO2)cccc1-c1ncco1 552711221 OCVMEMMKWPFZPC-CYBMUJFWSA-N 316.357 2.784 0 40 DFAB COC(=O)[C@H](NC(=O)Cc1ccsc1)c1ccc(F)c(C)c1 183814842 CVLPRHWAPQZLSC-OAHLLOKOSA-N 321.373 2.769 0 40 DFAB COc1ccc(CC(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1 34657986 QBKDEUKMUATOON-UHFFFAOYSA-N 308.341 2.662 0 40 DFAB C[C@@H](Cc1ccccc1F)NC1CCN(C[C@@H]2CCOC2)CC1 188037695 ULQKLXBNQFWOSW-HOTGVXAUSA-N 320.452 2.847 0 40 DFAB O=C(NCc1cc(F)cc(F)c1)NCc1ccc2c(c1)OCO2 31046597 HXFRLXMPCOJGNJ-UHFFFAOYSA-N 320.295 2.693 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 32508831 CIQUPAWEZPCODJ-GLQYFDAESA-N 303.358 2.539 0 40 DFAB O=C(CCCNC(=O)c1ccccc1)Nc1ccc(F)cc1 32516917 UQNAGTAFLLHEFK-UHFFFAOYSA-N 300.333 2.974 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ncc(F)cn2)C1 72203363 WXNOEBWCSCZDKY-LLVKDONJSA-N 310.373 2.675 0 40 DFAB N=C(N)SCc1nc(-c2ccc(Br)cc2)no1 89262056 FGJWVOZCYUZIGX-UHFFFAOYSA-N 313.180 2.626 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccc3ccncc3n2)on1 570676349 OEFCKYJIWHDSGS-OAHLLOKOSA-N 308.341 2.904 0 40 DFAB Cc1c(Br)cccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2 88441943 KUAVCGBAIOAHGD-FOSCPWQOSA-N 323.234 2.770 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)c(=O)[nH]1 81110292 ZTPBGCUBEDQHBU-GFCCVEGCSA-N 302.399 2.594 0 40 DFAB CN(C)c1ncc(NC(=O)c2cccc(Cl)c2)c(N(C)C)n1 224348953 GQRLOCFDUUWESS-UHFFFAOYSA-N 319.796 2.514 0 40 DFAB Cc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3CO2)cs1 225787881 IXMDIVMZDOEGCH-AWEZNQCLSA-N 302.399 2.665 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@@H](C)O1 96413400 LXNMEBBGDFPQMD-BETUJISGSA-N 314.389 2.728 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3ncsc3c1)C2 97198707 PNFGFKOGXFQYBM-LBPRGKRZSA-N 312.398 2.546 0 40 DFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)CS(=O)(=O)c1cccs1 96475659 MRSZUOJDYFRJMC-VXGBXAGGSA-N 315.460 2.559 0 40 DFAB CC1(C)CCC[C@@H]1NC(=O)N1CCC[C@H](C2(C)OCCO2)C1 96502247 JBHIZDTVUNXXNL-KBPBESRZSA-N 310.438 2.750 0 40 DFAB c1cncc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218963 BJJMMGAIUOGYAJ-RDJZCZTQSA-N 315.442 2.989 0 40 DFAB CCCn1nnnc1CN(C)[C@H](C)c1sc(CC)nc1C 96424503 JOWHCQIWGNVPML-LLVKDONJSA-N 308.455 2.603 0 40 DFAB c1cncc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 96056417 RNUPMLPMJBZPTH-KZNAEPCWSA-N 302.418 2.630 0 40 DFAB O=C(Cc1cccs1)N1CCO[C@@H](c2cccc(O)c2)C1 96479409 STMZFOSYSANWJM-OAHLLOKOSA-N 303.383 2.596 0 40 DFAB Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1 95346307 CETPVAKYBIKMHV-UHFFFAOYSA-N 304.353 2.941 0 40 DFAB Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)cn1 96046972 QXNPJKWVFSUOSX-GOSISDBHSA-N 314.433 2.501 0 40 DFAB Cc1cc([C@](C)(O)CNc2ccccc2S(C)(=O)=O)c(C)o1 96429574 BERUUHNNYWNQDK-MRXNPFEDSA-N 323.414 2.620 0 40 DFAB CC(C)[C@H](NC(=O)N(C)C[C@H]1CCC[C@H]1O)c1ccncc1 245339263 RODZGOAFPWHLSI-OAGGEKHMSA-N 305.422 2.581 0 40 DFAB c1cc(-c2ccc(CN[C@@H]3CCO[C@]4(CCSC4)C3)o2)[nH]n1 253433391 WJIKCTIQRGUGNT-MLGOLLRUSA-N 319.430 2.814 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)n1 257300294 RTTFONBGXSEWTF-HNNXBMFYSA-N 323.400 2.662 0 40 DFAB Cc1ccc(CN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)cc1 257253298 JYIMOXOHWXTSEK-SFHVURJKSA-N 309.413 2.619 0 40 DFAB Nc1nc(Br)c(Br)c(C(F)F)n1 257197820 KCANAOZNAHXUOK-UHFFFAOYSA-N 302.904 2.521 0 40 DFAB CCn1nccc1-c1cc(CC2CCN(C(C)=O)CC2)ccn1 257277339 NXPDSLCQLWORJR-UHFFFAOYSA-N 312.417 2.766 0 40 DFAB COc1ccc(CN(Cc2n[nH]c(=O)s2)[C@@H](C)C2CC2)cc1 284166138 QLWSSLARVVRDIH-NSHDSACASA-N 319.430 2.641 0 40 DFAB CCCc1cc(=O)oc2cc(Oc3nccn4cnnc34)ccc12 390833048 BCTXJLYVKONQLL-UHFFFAOYSA-N 322.324 2.976 0 40 DFAB CCN(Cc1cccc(Cl)c1)[C@]1(C)CCS(=O)(=O)C1 575420735 JUNVQIIFBXDLBJ-CQSZACIVSA-N 301.839 2.739 0 40 DFAB NC(=O)c1cnc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(Cl)c1 72286441 MJCFPLUCGRDXHQ-RYUDHWBXSA-N 315.760 2.576 0 40 DFAB Cc1ccc(F)c(NC(=O)N2CCN(c3nccs3)CC2)c1 43351071 IYPKEHSTORICIP-UHFFFAOYSA-N 320.393 2.945 0 40 DFAB O=C(CC1CCCCC1)NCC1CCN(c2ncccn2)CC1 43976811 CEROSJLWYWDMIM-UHFFFAOYSA-N 316.449 2.780 0 40 DFAB Cc1cc(Br)cc(C(=O)NC[C@H](C)C[C@H](C)O)c1 134512693 IDMWORILUOLJML-MNOVXSKESA-N 314.223 2.894 0 40 DFAB Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)O)oc2C)c1 55311321 UBOQFJDEQUFVLO-UHFFFAOYSA-N 313.306 2.535 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC(n2ccnc2)CC1 58420236 UFJCBNSRIAMXQQ-UHFFFAOYSA-N 309.413 2.778 0 40 DFAB CCCn1ncc(CN2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)c1C 12186483 GPOBXNASSJHQET-MAUKXSAKSA-N 311.433 2.962 0 40 DFAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2O 19322791 RPFLDKSAFZBPKJ-UHFFFAOYSA-N 315.461 2.659 0 40 DFAB biogenic CN1CCN(CCC(=O)Nc2ccc(C3CCCC3)cc2)CC1 19802260 HRDQRVASYNPKCY-UHFFFAOYSA-N 315.461 2.920 0 40 DFAB CCCc1nnc(S/C(=C\c2cccc(O)c2)C(=O)O)[nH]1 7342225 OAXDYZABCLTKGD-FLIBITNWSA-N 305.359 2.681 0 40 DFAB Cc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)c(Cl)c1 6387378 FGOIQEYIJZEPAR-XYOKQWHBSA-N 301.733 2.619 0 40 DFAB CO[C@@]1(CNC(=O)CCc2cccc(Cl)c2)CCSC1 225623451 WLTCHRVXCDLGGK-OAHLLOKOSA-N 313.850 2.911 0 40 DFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc[nH]1 4313449 RTCZUGXCYGEVLW-UHFFFAOYSA-N 304.655 2.732 0 40 DFAB CCc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 10549316 WWROJXUCDBQATC-UHFFFAOYSA-N 318.398 2.873 0 40 DFAB Cc1cnn(CC2CN(C(=O)[C@@H]3CCCc4ccccc43)C2)c1 1848587452 XKASAHHDTHRQKL-GOSISDBHSA-N 309.413 2.770 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3ncnc(C)c3C)CC2)c1C 1888853321 BOCICSVXBGPMLI-UHFFFAOYSA-N 324.428 2.673 0 40 DFAB CN(c1ccccn1)C1CCN(c2nnc(C3CC3)s2)CC1 1889083349 JKENXDAAJCMQBZ-UHFFFAOYSA-N 315.446 2.916 0 40 DFAB CC1=N[C@](O)(c2ccccc2)[C@H](NC(=O)c2ccccc2)S1 5232434 PWFBUTGZYOJAHX-SJORKVTESA-N 312.394 2.753 0 40 DFAB CO[C@H](CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccco1 206864439 PABRZTLVSOWREY-OAHLLOKOSA-N 323.414 2.871 0 40 DFAB CCOc1ncccc1CNC(=O)c1cc2c(s1)CCC2 30308440 XOQYIUQUZRMZIT-UHFFFAOYSA-N 302.399 2.961 0 40 DFAB CCOC(=O)c1cnc2c(F)ccc(C)c2c1NCCOC 20445108 WQUAZVOLHFWFCQ-UHFFFAOYSA-N 306.337 2.917 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N(Cc3cccnc3)C(C)C)c2n1 40554829 WNKWPSCNSBXAQK-UHFFFAOYSA-N 323.400 2.792 0 40 DFAB Cc1cc(N2CCN(CC(F)(F)F)CC2)nc(C(C)C)n1 32857650 IYZRUEAFZNTYMM-UHFFFAOYSA-N 302.344 2.593 0 40 DFAB CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2ccccc2=O)c1 32931242 QLTOBILULLRIDD-CQSZACIVSA-N 314.385 2.513 0 40 DFAB O=C(c1ccco1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 196580 QIVFNYOWEIHRES-QPUJVOFHSA-N 302.252 2.533 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1 12391066 KRVOKNGUEQRMDE-FUHWJXTLSA-N 324.380 2.853 0 40 DFAB O=C(O)C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 413261 BGYHOHIICPXJOR-UHFFFAOYSA-N 317.414 2.871 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1 798423 ZRUVQYIKNYORSX-LLVKDONJSA-N 303.387 2.506 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)N[C@@H]2CCCC2(C)C)n1 78335737 VPKRKXJEDXEZAC-GHMZBOCLSA-N 310.398 2.545 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C1CC1 22961406 HSHDYMSXWHJWHQ-UHFFFAOYSA-N 306.387 2.645 0 40 DFAB Cc1cc(N[C@H](C)C(=O)NC2CC2)ccc1OC1CCOCC1 78990178 XPSSOPASJYONPA-CYBMUJFWSA-N 318.417 2.632 0 40 DFAB CC(=O)N1c2ccccc2C(=O)O[C@@H]1C(Cl)(Cl)Cl 1712737 XCRWZHNTQNVGLE-SNVBAGLBSA-N 308.548 2.906 0 40 DFAB O=C1O[C@H](C(=O)NCc2ccc(Cl)s2)Cc2ccccc21 23134590 ZKPFFRWQJUMEMD-LBPRGKRZSA-N 321.785 2.799 0 40 DFAB Sc1nn2c(-c3ccccc3Br)nnc2s1 2228948 CKPMTZNSTOVHKU-UHFFFAOYSA-N 313.205 2.904 0 40 DFAB Cc1cccc(NC(=O)C2CCN(c3nccc(C)n3)CC2)c1 4373480 PGMCFMCOMHTKCN-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB Cc1c(C)n(CCCO)c2ncn3nc(-c4ccccc4)nc3c12 6760402 CSVBIRICEUVGDS-UHFFFAOYSA-N 321.384 2.745 0 40 DFAB C[C@H](OC(=O)c1ccc[nH]1)C(=O)Nc1ccc(OC(F)F)cc1 12567792 DDLDARAEIMGYTO-VIFPVBQESA-N 324.283 2.800 0 40 DFAB O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 1279149 BUWBQFUUIDVFEL-UHFFFAOYSA-N 308.337 2.568 0 40 DFAB COc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1Cl 97032313 WFPCDOYGUWMBGA-CQSZACIVSA-N 319.788 2.682 0 40 DFAB OC[C@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1 55396766 WZXFBAQQSBWWBN-AWEZNQCLSA-N 320.396 2.901 0 40 DFAB Cc1cc(=O)[nH]c(Nc2nc(C)c3cc(Cl)ccc3n2)n1 8020175 IONPSXQLLQUJAS-UHFFFAOYSA-N 301.737 2.727 0 40 DFAB CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 97084766 YDDCGYZNSWYHFO-DZGCQCFKSA-N 314.389 2.626 0 40 DFAB Cc1ccc2cc(C(=O)N(C)Cc3cnn(C)c3)c(C)nc2c1 25303969 KDLJSMVJXLEOBX-UHFFFAOYSA-N 308.385 2.857 0 40 DFAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccnc2)o1 48083746 HCFVSUNXMYXGSR-UHFFFAOYSA-N 302.378 2.579 0 40 DFAB O=C(O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 35891348 YASRGYMOUBZFMM-HOTGVXAUSA-N 301.386 2.894 0 40 DFAB CCCn1nnnc1CN(Cc1ccccc1)Cc1ccco1 58086730 LVLAHYRUBHZPQO-UHFFFAOYSA-N 311.389 2.879 0 40 DFAB COC1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 44895962 JFKPJJQNHFTBSU-UHFFFAOYSA-N 305.353 2.795 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)Cc1csc(-c2ccco2)n1 48265503 YGCGPVGXZAEPHO-LBPRGKRZSA-N 320.414 2.831 0 40 DFAB 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C[C@@H](NC(=O)NC1CCCCC1)c1ccc(NC(N)=O)cc1 71950253 MOMNVAJXHMKLJT-LLVKDONJSA-N 304.394 2.870 0 40 DFAB Cc1nn(C)c(C)c1[C@H](OC(=O)c1cscn1)C(F)(F)F 84011963 BKCLGUJQIREEQD-JTQLQIEISA-N 319.308 2.954 0 40 DFAB Cc1ocnc1C(=O)OC[C@@H]1CCN(Cc2ccccc2)C1 89975511 PKVNQRZGCWQJQK-OAHLLOKOSA-N 300.358 2.662 0 40 DFAB COc1ccc2cc([C@@H](C)N3CCS(=O)CC3)ccc2c1 75720609 NBFVNZCGQYWTHY-CYBMUJFWSA-N 303.427 2.974 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncc(CO)n1C 76092631 OKSFHEDXHWQOFS-LBPRGKRZSA-N 319.430 2.649 0 40 DFAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 76249381 OUQHGCFNARCIHX-HOCLYGCPSA-N 321.442 2.822 0 40 DFAB c1ccc(NC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@@H]32)nc1 306134219 NFYNUHAYNSQBGV-BZUAXINKSA-N 315.442 2.702 0 40 DFAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1CCn2cncc2C1 514703397 FIROTQMWYFZYEV-AWEZNQCLSA-N 321.384 2.783 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cc(C(=O)O)c(C)cc2C)s1 530423128 IIZVITOOQXKZLC-SNAWJCMRSA-N 316.382 2.988 0 40 DFAB C[C@@H](c1cnccn1)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 72203845 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C[C@@H](C1CC1)N(C(=O)NCCc1cn2c(n1)CCCC2)C1CC1 73719438 GLTROCORRRZGIF-ZDUSSCGKSA-N 316.449 2.734 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCCC[C@H]1Cn1cccn1 69655773 BDOYSGMHVONRCQ-AWEZNQCLSA-N 324.384 2.648 0 40 DFAB Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 49907618 OQHWHKFFXCOHTH-MRXNPFEDSA-N 301.386 2.595 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cccc(C)c2)C1 40160922 VOGYSGOEVZIGNK-ZNFPLGDCSA-N 301.386 2.810 0 40 DFAB COc1cccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)c1 49469181 SBGATOWMFMVQMR-UHFFFAOYSA-N 313.357 2.841 0 40 DFAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C 224205913 DBJYJYUWOPOUPS-OAHLLOKOSA-N 304.434 2.894 0 40 DFAB O=c1c2cc3c(cc2[nH]c(=S)n1Cc1ccccc1)OCO3 40478803 JUKGEOYMMMIAIE-UHFFFAOYSA-N 312.350 2.836 0 40 DFAB CC(C)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1F 190402357 QHOLHAPFNNRUDF-LBPRGKRZSA-N 317.368 2.677 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccc(C)c(C)c2)n1 224188358 ILKFJAGAFAUYKO-UHFFFAOYSA-N 313.405 2.790 0 40 DFAB CCOCc1ccc(CC(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 96043633 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COCCN(Cc1ccoc1)C(=O)CCc1ccc(OC)cc1 85474299 OBJNQOWBRHMJTK-UHFFFAOYSA-N 317.385 2.896 0 40 DFAB Cc1cccc(N2CCC[C@H](NC(=O)c3ccccc3F)C2)n1 257242264 IBSGCKGIFZFYLV-AWEZNQCLSA-N 313.376 2.928 0 40 DFAB CCOC(=O)c1ccoc1CNc1ccc(Cl)c(C(N)=O)c1 26785801 DKHGVFQUTJQRBN-UHFFFAOYSA-N 322.748 2.821 0 40 DFAB Cn1nccc1-c1cncc(CNC(=O)/C=C/c2cccs2)c1 575614901 AKWGGFMMYPRPCZ-SNAWJCMRSA-N 324.409 2.873 0 40 DFAB CC[C@@H](C)N1C[C@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O 585099339 GJDAGIVCRQVCFU-SJKOYZFVSA-N 321.490 2.983 0 40 DFAB CNC(=O)COc1cccc(NC(=O)c2cc(C)c(C)s2)c1 26975778 IKPHYISHMDGTRC-UHFFFAOYSA-N 318.398 2.742 0 40 DFAB CC(=O)N1CC[C@H](NCc2cccnc2)[C@H](Cc2ccccc2)C1 585269574 ZROBLGASBPNYCW-UXHICEINSA-N 323.440 2.651 0 40 DFAB O=C(C[C@@H]1CCCO1)NCCCOc1cccc2cccnc12 68390775 HKODXJBBYFUQCP-HNNXBMFYSA-N 314.385 2.689 0 40 DFAB Cc1noc2ncc(C(=O)Nc3nc4c(s3)CCC4)cc12 43122215 IYQOIUHINURNQJ-UHFFFAOYSA-N 300.343 2.729 0 40 DFAB Cc1ccc([C@H]2CN(Cc3cc(=O)c(O)co3)CCO2)c(C)c1 75787059 AZWGGNLMWBVVGG-GOSISDBHSA-N 315.369 2.536 0 40 DFAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 11595070 MTDAZGCAMVLYEG-UHFFFAOYSA-N 304.371 2.619 0 40 DFAB O=C(O)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 11864924 OHWGIJFIBCXBLH-KRWDZBQOSA-N 314.360 2.774 0 40 DFAB O=C1c2ccccc2[C@@](O)(c2ccccn2)N1Cc1ccccc1 16479761 SPVQAPQQDHDDJM-HXUWFJFHSA-N 316.360 2.931 0 40 DFAB Cc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)n1 19117935 NJWLUFYUYGWAMX-ZDUSSCGKSA-N 319.355 2.736 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(F)cc1Br 19518291 PMSLEEZYGAPMHD-UHFFFAOYSA-N 300.049 2.880 0 40 DFAB Cc1cc(N2CCN(c3ccccc3C)CC2)n2nc(C)cc2n1 1888883411 HQZRSKRLFWAQPT-UHFFFAOYSA-N 321.428 2.981 0 40 DFAB O[C@@](CN=c1[nH]c2cnccc2s1)(c1cccs1)C1CC1 1889149142 DTYXCQSMZPVKPJ-OAHLLOKOSA-N 317.439 2.884 0 40 DFAB C[C@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@@H](C)O1 14066153 ZVACUQBNAMWIGF-DTORHVGOSA-N 316.170 2.838 0 40 DFAB O=C(Nc1cccs1)N1CCCN([C@@H]2CCSC2)CC1 1565523531 RWRBGPXNZKCTSW-GFCCVEGCSA-N 311.476 2.793 0 40 DFAB COCc1cnc2n1CCN(C(=O)[C@@]1(C)CC=CCC1)[C@H]2C 1565555271 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LCHJCCLBWTVBFV-UHFFFAOYSA-N 324.327 2.705 0 40 DFAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 530035 WGFVSQABQGSYIT-KSFYIVLOSA-N 320.329 2.779 0 40 DFAB CCc1cc(C(=O)Cc2nncn2-c2ccccc2)c(O)cc1O 1279558 WYHPQRRZPSSKGR-UHFFFAOYSA-N 323.352 2.666 0 40 DFAB O=C(NC1=NC(=O)[C@@](F)(C(F)(F)F)S1)Nc1ccccc1 2484100 QHPWCCWCELKANZ-JTQLQIEISA-N 321.255 2.666 0 40 DFAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCCC1 2634803 WCRSWKXSLGADLC-INIZCTEOSA-N 302.418 2.890 0 40 DFAB O=C(O[C@@H]1CCOC1=O)C1c2ccccc2Oc2ccccc21 2656900 DCBGHHDSKDMAQG-OAHLLOKOSA-N 310.305 2.783 0 40 DFAB CC(C)CCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1 3068351 MWEDZPMQLDSZEG-OAHLLOKOSA-N 307.390 2.951 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccccc1F)c1ccccc1 3259253 RWEGKIBXXQEMST-LBPRGKRZSA-N 301.317 2.860 0 40 DFAB Cc1ccc(N2C(=O)N(Cc3c(C)noc3C)C(=O)[C@@H]2C)cc1 3308854 VDKAIHXROHCVDB-LBPRGKRZSA-N 313.357 2.957 0 40 DFAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(F)c1 3470573 SLNRZUSPZXCGHD-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)C[S@](=O)C2 4224645 BRERIJULLDFVDN-QFIPXVFZSA-N 317.414 2.600 0 40 DFAB CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C 4374758 QUCMWWQYDCDCDX-UHFFFAOYSA-N 301.375 2.818 0 40 DFAB COc1ccc(OS(=O)(=O)c2cc(C)ccc2OC)cc1 4950284 LNHFHTOFGRBDPF-UHFFFAOYSA-N 308.355 2.780 0 40 DFAB COc1ccc(N[S@](=O)c2ccc(OC)cc2OC)cc1 5702862 OONRNIGFNOCJHP-NRFANRHFSA-N 307.371 2.847 0 40 DFAB COc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1OC 5893847 FXNOTGCZQPYQQF-GXDHUFHOSA-N 308.337 2.621 0 40 DFAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6680342 HKDKJNJMTLMVDB-UHFFFAOYSA-N 324.427 2.641 0 40 DFAB COc1cccc(CNc2nc3ccc(C)cc3n3nnnc23)c1 6820914 ZRUKAJGYHUTVQC-UHFFFAOYSA-N 320.356 2.602 0 40 DFAB COc1cccc(CNS(=O)(=O)c2cc(C)ccc2C)c1 6843842 HYHDPJCBPIGKBE-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1 6879568 JSPCFBSCMWFVOI-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCCCNC(=O)CSc1nnc(-c2ccco2)n1CC 7736901 PEJRWNGRWWZGQA-UHFFFAOYSA-N 308.407 2.566 0 40 DFAB CCc1nnc(SCCCOc2ccccc2C=O)n1C 8731680 FOTBMNKVRGKJAO-UHFFFAOYSA-N 305.403 2.751 0 40 DFAB Cc1cccc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)c1 8772449 IGIZJRHXBXKKNT-LRDDRELGSA-N 300.358 2.944 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2NC1=O 9495599 DYXOCZWUYRWCEK-QMMMGPOBSA-N 318.279 2.937 0 40 DFAB CN(C)[C@H](CNC(=O)COc1ccccc1)c1ccc(F)cc1 10018647 NBZNISFKQRVAKI-QGZVFWFLSA-N 316.376 2.624 0 40 DFAB NC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1 11332505 MXUSSUITUSSFMG-AWEZNQCLSA-N 301.321 2.564 0 40 DFAB CN(C)c1ccc(CCCNC(=O)COc2ccccc2)cc1 11693633 ZMADQOQYJLMJAI-UHFFFAOYSA-N 312.413 2.880 0 40 DFAB O=C(Cn1ccnc1)N[C@@H](Cc1cccs1)c1nccs1 12087874 QIWULVLBYHVPLK-LBPRGKRZSA-N 318.427 2.501 0 40 DFAB CC(=O)N1CCc2cc([C@H](O)CN3CCCCCCC3)ccc21 12146836 HTROTVAMZJBTAA-LJQANCHMSA-N 316.445 2.895 0 40 DFAB O=C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CCN1 12780758 MMSNAJILRWCUBU-UHFFFAOYSA-N 318.380 2.623 0 40 DFAB CN1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 12799940 DEZGLHWVTXSTSM-INIZCTEOSA-N 324.380 2.544 0 40 DFAB CN(CCOc1cccc(Cl)c1)c1ncnc2c1cnn2C 14182103 JVEHFNZDCFEEKE-UHFFFAOYSA-N 317.780 2.532 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1 14232811 HRZFPSAPYKYJFB-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(-n2cncn2)cc1 23951029 GQXCDODZVJAYQP-JTQLQIEISA-N 315.764 2.740 0 40 DFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2F)C1 24752170 OSWVMNXBTDWRTI-GFCCVEGCSA-N 308.353 2.941 0 40 DFAB O=C(OC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccco2)cc1 25052909 BABUBFGTYJOZJC-AWEZNQCLSA-N 315.325 2.868 0 40 DFAB O=C(C1CCOCC1)N1CCC(c2nc3ccccc3o2)CC1 25180867 ONLDCTIKRVTOGX-UHFFFAOYSA-N 314.385 2.960 0 40 DFAB O=C(CCn1cncn1)Nc1ccc2c(c1)Cc1ccccc1-2 25535844 OSAUZXFEJZTKSE-UHFFFAOYSA-N 304.353 2.878 0 40 DFAB O=c1c2ccccc2nnn1Cc1coc(-c2cccc(F)c2)n1 26777563 YCDNWURWNXYTIM-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB CCn1ccc(NC(=O)Cc2ccc(Br)cc2)n1 27930071 CSPWGFPIPIFFIA-UHFFFAOYSA-N 308.179 2.847 0 40 DFAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cc(-c2ccccc2)n[nH]1 32610338 OPGBXYJFPJDKRS-STQMWFEESA-N 313.357 2.906 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 36660506 NAMJHCXDCXVHHG-GFCCVEGCSA-N 319.382 2.513 0 40 DFAB COCc1cccc(CNc2ccccc2S(C)(=O)=O)c1 38011027 QZRBRGOIJODIEZ-UHFFFAOYSA-N 305.399 2.849 0 40 DFAB COc1ccc(CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 40108229 WVAZBUCFIKNEPL-PBHICJAKSA-N 305.418 2.949 0 40 DFAB COC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccccc2)c1 40159339 SMKQXGYLMCQLCQ-ZDUSSCGKSA-N 313.353 2.557 0 40 DFAB C[C@H]1CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C[C@H](C)O1 40292419 HTNXQQMSWWRTNJ-YUMQZZPRSA-N 303.189 2.825 0 40 DFAB CCOc1ncccc1NC(=O)c1cc(F)cc2[nH]cnc12 40555310 VJLIRRHQUZNQGG-UHFFFAOYSA-N 300.293 2.748 0 40 DFAB COC(=O)c1ccc(Nc2cc(C)oc(=O)c2C(C)=O)cc1 41124496 JKBPUYAHPURQML-UHFFFAOYSA-N 301.298 2.681 0 40 DFAB O=S(=O)(c1ccc(Cl)s1)N1CCO[C@H]2CCCC[C@@H]21 41195049 YHMLDSPAMJCDCB-UWVGGRQHSA-N 321.851 2.734 0 40 DFAB Brc1ccccc1CNc1ncnc2[nH]cnc12 42419443 YWPFTGKKYUNEIY-UHFFFAOYSA-N 304.151 2.728 0 40 DFAB COCCCNC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC 42901188 YRBDISIMQLNVBU-HNNXBMFYSA-N 322.405 2.587 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccncc2)n1 44939242 UVVPBQHQTUFDAP-LBPRGKRZSA-N 302.378 2.788 0 40 DFAB O=C1OCCN1c1cccc(C(=O)N2CCc3ccccc32)c1 44966048 NOGXJIBMBWVJMP-UHFFFAOYSA-N 308.337 2.846 0 40 DFAB Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)nc2)no1 44968669 GZMRJNPGMHRPPW-UHFFFAOYSA-N 315.377 2.690 0 40 DFAB Fc1ccccc1-n1cc(-c2ccnc(N3CC=CC3)n2)cn1 48140053 CACHBCFBHRRSNA-UHFFFAOYSA-N 307.332 2.845 0 40 DFAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48275036 QBHNFCMESAHPLH-VXGBXAGGSA-N 305.378 2.595 0 40 DFAB O=C(NCC(F)(F)F)C1CCN(Cc2ccccc2)CC1 48343656 CKLUNIRCUKHXPV-UHFFFAOYSA-N 300.324 2.577 0 40 DFAB Cc1nc(/C=C/C(=O)N2CCCC[C@H]2CCC(=O)O)cs1 50921931 WEUBBLBLBOOWSL-IYNGYCSASA-N 308.403 2.711 0 40 DFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)c1ccccc1Cl 51260946 AMCRAFBLIQEHEA-WDMOLILDSA-N 307.777 2.549 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2cnc3ccccn3c2=O)c1 55898826 XPQZNSOMVYYIHK-UHFFFAOYSA-N 307.353 2.588 0 40 DFAB CC[C@H](NC(=O)c1ccc(C(N)=O)nc1)c1ccc(Cl)cc1 57985189 GDIAGBXOYTUQPG-ZDUSSCGKSA-N 317.776 2.715 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c3c(cccc13)CC2 57987254 KEXXLQNPZCECGY-UHFFFAOYSA-N 324.424 2.925 0 40 DFAB CCc1ccc(N2CCC(NC(=O)Nc3cn[nH]c3)CC2)cc1 58244065 OSZRXEBCPJPYSY-UHFFFAOYSA-N 313.405 2.763 0 40 DFAB CCSc1ccccc1NC(=O)NCCCC(=O)NC1CC1 58393807 PLDNQDBVMAQRDA-UHFFFAOYSA-N 321.446 2.979 0 40 DFAB CCN(C(=O)c1cc(Br)c[nH]1)c1ccc(OC)nc1 58851074 PCIMNOHMWUTFQD-UHFFFAOYSA-N 324.178 2.848 0 40 DFAB COc1cccc(NCCc2n[nH]c(-c3ccc(N)cc3)n2)c1 62719262 FJRZKSYSUJRASC-UHFFFAOYSA-N 309.373 2.717 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(F)c(F)cc1Cl 65475053 BHQPPAHKLVDFIN-MRVPVSSYSA-N 311.719 2.560 0 40 DFAB O[C@@H]1CCCc2c(OCc3nnnn3-c3ccccc3)cccc21 69150508 ULGAKTGMMBMMPE-MRXNPFEDSA-N 322.368 2.611 0 40 DFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCCc1ccsc1 69588863 QXMFQQBKORMPTA-QGZVFWFLSA-N 314.454 2.896 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2Cc2nc3c(F)cccc3[nH]2)c1 69928768 WMXMHGFUSUUPCZ-ZDUSSCGKSA-N 313.380 2.872 0 40 DFAB CC(C)c1csc2nc(-c3cccc(C(N)=O)c3)[nH]c(=O)c12 69981017 UBTCQZZQKFUCCS-UHFFFAOYSA-N 313.382 2.874 0 40 DFAB Cc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2nc1C 71287171 GZRNXWXIRGVGBZ-KGLIPLIRSA-N 313.357 2.542 0 40 DFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(C)=O 71844195 YVCFDRXKRMMPLN-DLBZAZTESA-N 302.418 2.697 0 40 DFAB O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(C2CC2)[nH]n1 71890792 SSDKRQNXSRILCF-SFHVURJKSA-N 321.380 2.904 0 40 DFAB CCS(=O)(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)s1 72148138 MCPLNBPIMQTZGI-UHFFFAOYSA-N 307.400 2.667 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1cc2c(s1)CCCC2 72278613 HPBBAAGCDXLEPY-LBPRGKRZSA-N 301.415 2.568 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccncc2C)cc1Cl 72281369 UVMCOIQIJXPFGS-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCc1ncc[nH]1 72283632 DKCAUXBPKBAART-CMDGGOBGSA-N 321.384 2.542 0 40 DFAB Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78911107 RMCUWEUAZRVWIF-CHWSQXEVSA-N 323.318 2.859 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)c3cc(C4CC4)[nH]n3)c2c1 79051250 IOXHLROZLIIZQU-UHFFFAOYSA-N 324.384 2.750 0 40 DFAB CCN(Cc1cccc(C)c1)C(=O)c1ccnc(C(=O)OC)c1 81656409 SJJATKDKLMBPSK-UHFFFAOYSA-N 312.369 2.839 0 40 DFAB CCN(CC(C)(C)O)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 81972997 UNQAUNZBBFPQED-QGZVFWFLSA-N 318.461 2.518 0 40 DFAB Cc1nc2ccccc2nc1COC(=O)c1ccc(O)cc1O 84057592 AKAMJAAWBAKTHH-UHFFFAOYSA-N 310.309 2.706 0 40 DFAB Cc1ccc(CNC(=O)NCc2ccon2)c(OCC2CC2)c1 87132325 GBHTYTSRSRAHCZ-UHFFFAOYSA-N 315.373 2.771 0 40 DFAB O=C(O)[C@H]1C[C@@H]1C(=O)N1CC2(CCCC2)c2c(F)cccc21 89800179 MARYFMTYMUJBGJ-QWRGUYRKSA-N 303.333 2.705 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2S1 89941247 TYXPUHLKDVNWKW-NSHDSACASA-N 300.383 2.526 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cccc2cccnc12 89949065 INDLXHMFAPDPHR-QAPCUYQASA-N 311.429 2.971 0 40 DFAB COc1cccc([C@@H](CO)NC(=O)[C@@H](C)c2ccsc2)c1 92193736 YXYDNXCJWVWKSH-XHDPSFHLSA-N 305.399 2.710 0 40 DFAB O=c1c2cc(Br)ccc2cnn1Cc1cccnc1 95095833 WHBBUPFJQPYQNF-UHFFFAOYSA-N 316.158 2.602 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCCc1ccc(C(=O)O)cc1 95350741 LZPTWTHOVAYOSY-UHFFFAOYSA-N 316.357 2.777 0 40 DFAB O=C(C1CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 95394987 FIWODRZXMSEDLG-CQSZACIVSA-N 315.348 2.873 0 40 DFAB Cc1cccnc1CNC(=O)N[C@H](CCO)C1CCCCC1 95424556 GZTNDHXLXIVVJK-OAHLLOKOSA-N 305.422 2.521 0 40 DFAB Oc1nc(Oc2ccc(F)nc2)nc2c1cnn2-c1ccccc1 95430804 XIZVUJLYVIYXFK-UHFFFAOYSA-N 323.287 2.848 0 40 DFAB Cc1ccc(C(=O)NC2CCN(Cc3ncoc3C)CC2)s1 95443029 HVXUJSNLTLNPEG-UHFFFAOYSA-N 319.430 2.747 0 40 DFAB Cc1nc(CCNC(=O)CCOc2ccccc2F)c(C)o1 95451140 PVXLPFKBWABNKS-UHFFFAOYSA-N 306.337 2.558 0 40 DFAB Cc1noc(C)c1CN[C@H](C(=O)NC(C)C)c1ccccc1 95955463 YTXFJJLECSFMHC-INIZCTEOSA-N 301.390 2.647 0 40 DFAB C[C@@H](Cn1cncn1)NCc1ccc(F)cc1C(F)(F)F 95987607 LGWULHYSHZGIFD-VIFPVBQESA-N 302.275 2.614 0 40 DFAB COC1CCN(c2ccc(NC(=O)Cn3cccc3)cc2)CC1 96104497 HEZCLSNGPUHAJB-UHFFFAOYSA-N 313.401 2.742 0 40 DFAB c1ccc(CN2CC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cc1 96219056 ZFGZXWFEFLNVAI-PKOBYXMFSA-N 309.413 2.927 0 40 DFAB C[C@H](c1ccccc1F)[S@](=O)Cc1ccc(C(N)=O)cc1 96404311 WBVHLXPQASBGFK-FIKIJFGZSA-N 305.374 2.935 0 40 DFAB Cc1ncc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)s1 96408982 CNXVNKNFGNDCGV-AWEZNQCLSA-N 320.414 2.702 0 40 DFAB O=C(NCCCOC[C@H]1CCOC1)N1CCC2(CCCC2)CC1 96419955 BHXHWSJAUOLGPN-MRXNPFEDSA-N 324.465 2.795 0 40 DFAB Cc1nc2ccccn2c1CN1C(=O)c2ccc(F)cc2C1=O 96452639 MDBFYKSGHRKKIX-UHFFFAOYSA-N 309.300 2.578 0 40 DFAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(Cl)cc1 96519661 UGHXGGHEONUTSJ-VIFPVBQESA-N 317.621 2.940 0 40 DFAB CN(Cc1cccnc1)C[C@@H]1CCCN(c2ncccc2F)C1 97227483 IHKOAAHDSZOKGE-INIZCTEOSA-N 314.408 2.964 0 40 DFAB C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccncc1 97370637 OYNTVYIXHJHITQ-LLVKDONJSA-N 316.430 2.706 0 40 DFAB CCn1c(C)cc(C(=O)Nc2cncnc2N2CCCC2)c1C 97376862 NBPKQUXMKXBZSM-UHFFFAOYSA-N 313.405 2.767 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103488112 XDKQZASWFPKWLP-MOWSHJCCSA-N 321.442 2.992 0 40 DFAB CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1CC 130735584 FKRNIXJRHNPXQD-DGCLKSJQSA-N 321.421 2.911 0 40 DFAB CN(C)[C@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 144786452 LNMSDHBGVMTUPU-KRWDZBQOSA-N 316.376 2.624 0 40 DFAB COc1ccccc1[C@@H](N[C@H]1CCCSC1)c1noc(C)n1 183659918 JWLRCAANOYIRTL-SWLSCSKDSA-N 319.430 2.961 0 40 DFAB C[C@H](CN1CCS(=O)(=O)[C@@H](C)C1)c1cccc(Cl)c1 187316812 FYGLIVNQFQHICT-NEPJUHHUSA-N 301.839 2.562 0 40 DFAB Cc1cc(N[C@@H]2CCOC2)cc(N2CCN(C(C)C)CC2)c1 188700808 SNIIVPJBQDDGML-MRXNPFEDSA-N 303.450 2.726 0 40 DFAB COc1cc(NC(=S)N[C@H](C)CCc2ccccc2)ncn1 225183398 QTLNZTYYBBLYFD-GFCCVEGCSA-N 316.430 2.793 0 40 DFAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1cccc2ccccc12 253405177 RYAZEKWBXRNZQY-OLMNPRSZSA-N 311.381 2.906 0 40 DFAB CN(c1nn(-c2ccccc2F)nc1C(=O)O)C1CCCCC1 256045758 AWPVLXRCILLSNT-UHFFFAOYSA-N 318.352 2.874 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4[nH]ncc4C)C3)c2c1 257212509 CDSREDPPYVZDEN-GFCCVEGCSA-N 324.384 2.838 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ccncn1 257267154 MGEDAADPLVURDX-INIZCTEOSA-N 307.353 2.616 0 40 DFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 257294793 QVTQLYUKFTYTAE-HNNXBMFYSA-N 309.373 2.664 0 40 DFAB CO[C@H]1CCN(Cc2cccc3[nH]ccc23)C[C@@]12CCCO2 257339844 ZDLHRGOKCOTVHZ-ROUUACIJSA-N 300.402 2.938 0 40 DFAB Cn1nc(-c2ccsc2)cc1NC(=O)[C@@]1(C)CCCOC1 330261101 TZWMGXYIZKVALL-HNNXBMFYSA-N 305.403 2.904 0 40 DFAB Cc1cc(C)c2c(c1)CN(S(=O)(=O)c1cncc(F)c1)CC2 332530730 FPGKZDRZQPEORW-UHFFFAOYSA-N 320.389 2.585 0 40 DFAB Cc1nc(C)n(C2CN(C(=O)c3ccc(C(C)(C)C)s3)C2)n1 514932861 MTFNRKQVQHHFPI-UHFFFAOYSA-N 318.446 2.951 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2ncc(C)o2)cc1 583615616 PYEDFLIGKQPMER-WMZOPIPTSA-N 316.401 2.864 0 40 DFAB Cc1ccc(N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)nn1 585234301 GPALHZKCZOIAFT-ZDUSSCGKSA-N 314.364 2.779 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 562770 RHIIULRYLSHWDP-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 1247044 IZWCXISDIPJTMM-CYBMUJFWSA-N 300.387 2.560 0 40 DFAB Cc1cc(-c2noc([C@H](C)N3CCO[C@H](C)C3)n2)ccc1F 78436235 CBHCCGZMHUZVKQ-NEPJUHHUSA-N 305.353 2.966 0 40 DFAB CC(=O)O[C@H]1c2ccccc2C(=O)[C@@]1(OC(C)=O)c1ccccc1 1578993 PFJGBIQOZIDXTR-OALUTQOASA-N 324.332 2.946 0 40 DFAB Cc1ccccc1C1(O)CCN(CCN2CCCCC2)CC1 72795094 DNRXFJIMQVJKKI-UHFFFAOYSA-N 302.462 2.764 0 40 DFAB COc1ccc(CCN[C@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC 4325887 ASIXXJPWMHNLIN-YCPHGPKFSA-N 306.450 2.565 0 40 DFAB Cc1nn(-c2ccc(NC(=O)COC(C)C)cn2)c(C)c1Cl 72404056 UBBZEKAZFBOMAE-UHFFFAOYSA-N 322.796 2.901 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 7928666 XGALVCMYWDZHIY-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB Cc1nc(C)c(C)c(NC2CCN(C(=O)NC(C)(C)C)CC2)n1 97373493 XOVPTPRAWFGVKQ-UHFFFAOYSA-N 319.453 2.786 0 40 DFAB CCO[C@@H]1C[C@@H](NC2CCN(C(=O)c3ccoc3)CC2)C1(C)C 95422892 IRYWYKTUZDLACW-HZPDHXFCSA-N 320.433 2.677 0 40 DFAB O=C1CC2(CCCCC2)C(=O)N1CCCOCC(F)(F)F 97491758 ORSISLPHODWPAN-UHFFFAOYSA-N 307.312 2.665 0 40 DFAB CCNC(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1 1381814 OKMXXRJRGDDORO-UHFFFAOYSA-N 304.353 2.955 0 40 DFAB Cc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(O)c(C)c2)cc1 1397560 TWGCAOHVLBATJF-UHFFFAOYSA-N 318.394 2.974 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1ccc(N2CCCC2)nc1 48084432 VJIQSRDZKXKJLG-UHFFFAOYSA-N 300.362 2.939 0 40 DFAB O=C(NOCc1ccccc1)c1cccc(NC(=O)C2CC2)c1 25037029 YTMVQNBDRNLUHQ-UHFFFAOYSA-N 310.353 2.897 0 40 DFAB Cc1nn(C(C)(C)C)c(Cl)c1C(=O)C1C(=O)CCCC1=O 103619333 FCDZWYRTPWASOV-UHFFFAOYSA-N 310.781 2.721 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 57829734 QFVJGAPKZCZVBQ-IUODEOHRSA-N 306.381 2.604 0 40 DFAB O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1 107265685 XIIGXDVADGDPIR-HFTRVMKXSA-N 303.377 2.784 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)cc1F 3371766 BZEUGXDFNKBUHJ-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB Cc1ccc2c(CSc3nnc(N)s3)cc(=O)oc2c1 3362486 PHFUWZRYKHXYIA-UHFFFAOYSA-N 305.384 2.827 0 40 DFAB Cc1nc2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 10338735 KNAZBIBWCVZZKU-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)C1 27973195 PZOZXLMBTWFYBJ-DYCFOQDWSA-N 312.479 2.522 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103488114 XDKQZASWFPKWLP-RKHKHNFPSA-N 321.442 2.992 0 40 DFAB CC1CCC(NC(=O)N[C@@H](C)c2nnc3ccccn23)CC1 45589137 OSIWOBJKAGLCFP-CPCZMJQVSA-N 301.394 2.668 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nccn1C1CC1 29625686 LCOXJPDVQNSWNW-LLVKDONJSA-N 319.434 2.688 0 40 DFAB CN(C(=O)c1cccc(CN2CCOCC2)c1)C1CCCC1 20491117 KQQJNPDPDRIRDZ-UHFFFAOYSA-N 302.418 2.533 0 40 DFAB OC[C@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1 12905942 DBDADRMNQWMOTD-JTQLQIEISA-N 311.307 2.857 0 40 DFAB O=C(CCc1cccs1)NCc1ccc(N2CCCC2)nc1 12944122 IOPBAWCANWZORK-UHFFFAOYSA-N 315.442 2.992 0 40 DFAB CN(Cc1nc2ccccc2s1)c1cn[nH]c(=O)c1Cl 12979748 DPAAOUUTCPRGPF-UHFFFAOYSA-N 306.778 2.669 0 40 DFAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 12923801 YFEIFKBPDUVWIG-MRXNPFEDSA-N 321.373 2.588 0 40 DFAB O=C(Nc1nnc2n1CCCC2)c1ccccc1C(F)(F)F 96003315 PWFGQZCJBIIWJX-UHFFFAOYSA-N 310.279 2.886 0 40 DFAB C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(Cl)cn1 6291392 LRFXUTPHKZMPJL-QWRGUYRKSA-N 308.765 2.962 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)c2ccc(F)cc2)o1 97159523 BQAJGSCLNNMSHM-OAHLLOKOSA-N 315.348 2.940 0 40 DFAB Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1 9315279 DBDPQHVFVBKGHX-LBPRGKRZSA-N 302.330 2.784 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nnc(C2CC2)s1 9315695 UMVKHGSEIPUGEN-QPUJVOFHSA-N 317.370 2.583 0 40 DFAB O=C(COc1ccccc1)Nc1nonc1-c1cccs1 6756242 YKWBJZOKSYIHOQ-UHFFFAOYSA-N 301.327 2.816 0 40 DFAB O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc[nH]1 97107888 AYUILKKVDWJZKM-UHFFFAOYSA-N 319.792 2.753 0 40 DFAB Cn1cc(C(C)(C)NC(=O)/C=C/c2cn(C)c3ccccc23)cn1 80476165 XOIHQHVIFVEBEZ-MDZDMXLPSA-N 322.412 2.977 0 40 DFAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1CCCCC1 7441089 SGGWZKHWHQLGEJ-LBPRGKRZSA-N 315.373 2.953 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)cn1 71797106 OLAMNZTYDKWPHL-GOSISDBHSA-N 307.401 2.943 0 40 DFAB C[C@H]1CCCCN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 96453176 HEFIJYITFWFYNX-VIFPVBQESA-N 322.352 2.732 0 40 DFAB Cc1ccc(CC(=O)NCCC(=O)N2CCCC[C@@H]2C)s1 69380621 MKMZWTKXMCDHNS-LBPRGKRZSA-N 308.447 2.506 0 40 DFAB CC(=O)N[C@@H](C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 69537847 LMOASYZOUKYECJ-AWEZNQCLSA-N 310.397 2.803 0 40 DFAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(O)c2)CC1 92755005 HTLCVWPPXXRGLB-CQSZACIVSA-N 304.434 2.765 0 40 DFAB C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccn1 97019075 FPKXCOPDJSZQOK-KGLIPLIRSA-N 303.406 2.934 0 40 DFAB CC(=O)c1ccc(F)cc1O[C@H]1CCN(CC(F)(F)F)C1=O 95427763 VSUIKXUVAIILLU-NSHDSACASA-N 319.254 2.570 0 40 DFAB CS[C@H](C)CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95977553 PZZWOVADVMXEMR-PELKAZGASA-N 320.817 2.563 0 40 DFAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCN(c3ccccn3)C2)o1 95990174 SDKPORIVQSYPSF-HNNXBMFYSA-N 323.400 2.742 0 40 DFAB O=C(CCc1cccs1)NCc1nnc(C2CC2)n1C1CC1 95939681 KDCOHYNEVCQWTA-UHFFFAOYSA-N 316.430 2.801 0 40 DFAB COC(=O)[C@H](C)[C@@H](NC(=O)c1cc[nH]c1C)c1ccccc1 86232155 WDUMHVPGMNTDMN-IAQYHMDHSA-N 300.358 2.603 0 40 DFAB COC(=O)c1oc(COc2ccccc2-c2nc[nH]n2)cc1C 89606833 JANJHEZDCVSWRT-UHFFFAOYSA-N 313.313 2.739 0 40 DFAB Cc1ccc([C@@H](NC(=O)N(CCO)CC2CC2)C2CC2)cc1 89629789 ZCFSRVGQLFHHRN-QGZVFWFLSA-N 302.418 2.860 0 40 DFAB COc1ccccc1CC(=O)N[C@H](C)C[C@H](O)c1ccccc1 89894963 SOKJJMORRBSDJD-PBHICJAKSA-N 313.397 2.866 0 40 DFAB Cc1nc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)no1 76043726 MGUGRNIQQJDGRR-GFCCVEGCSA-N 320.418 2.864 0 40 DFAB COc1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1 20447849 MBOHCDLKMSBAPJ-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB CNc1ccc(-c2noc([C@@H]3CCCN3CC(C)C)n2)cn1 35426124 TWQLZGZPJFGYMU-ZDUSSCGKSA-N 301.394 2.966 0 40 DFAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(C)c1 32081017 ZBFIPZZHRJMNOW-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB COc1cccc([C@H](C)N2CCC(N3CCCC3=O)CC2)c1 79415059 VPVYMECUSIYQLZ-AWEZNQCLSA-N 302.418 2.843 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)no1 33936553 LEPHACLGRCVKFM-JSGCOSHPSA-N 313.357 2.531 0 40 DFAB CN(Cc1ccc(Cl)nc1)C1CCN(C[C@H]2CCOC2)CC1 72664347 IAWNHYTVPQXJNI-OAHLLOKOSA-N 323.868 2.668 0 40 DFAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(C)=O)C1 72358426 TUKSMTCPGPLSFK-CQSZACIVSA-N 311.385 2.878 0 40 DFAB CC(C)(C(=O)O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 566680199 AFEDLGBQVCEJEB-MRVPVSSYSA-N 318.156 2.654 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccncc1 72336915 IWCQWEVWWIPWKZ-ZBFHGGJFSA-N 305.385 2.695 0 40 DFAB Cc1cnc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl 72203080 WWINDAUYBILPGN-SNVBAGLBSA-N 313.785 2.827 0 40 DFAB COC(=O)c1cccc(Oc2ccc(S(C)(=O)=O)cc2)c1 82169937 RUUYDLLETOBAOW-UHFFFAOYSA-N 306.339 2.669 0 40 DFAB CC(C)N1CCN(CCCN2CCC[C@@H](C(F)(F)F)C2)CC1 192715947 MUJXBVUKLMAMGM-OAHLLOKOSA-N 321.431 2.677 0 40 DFAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 42646746 UMHFCCXPYGHFQG-UHFFFAOYSA-N 312.369 2.729 0 40 DFAB Cn1nc(OCCF)c2cc(I)ccc21 225774897 UWEIANFSIVRYKK-UHFFFAOYSA-N 320.105 2.526 0 40 DFAB CCOCCCNC(=S)Nc1ccc(OC)c2ncccc12 225371134 PBGBGDZYLCCZGT-UHFFFAOYSA-N 319.430 2.956 0 40 DFAB COc1ccsc1C(=O)N[C@@H](C[S@](C)=O)c1ccccc1 96445515 JHRPROQMCLMTIU-LAJNKCICSA-N 323.439 2.606 0 40 DFAB C[C@H]1SCCN(CCN2CCOC2=O)[C@H]1c1ccccc1 96411483 BSNBCADSKOJWGL-UKRRQHHQSA-N 306.431 2.617 0 40 DFAB Cc1csc(COC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 96442940 GBZICQJOMPHIMU-NSHDSACASA-N 302.355 2.621 0 40 DFAB CN(CC(C)(C)O)C(=O)NCC1(c2ccccc2Cl)CC1 95449916 OMNMMRMRRDGMON-UHFFFAOYSA-N 310.825 2.784 0 40 DFAB O=C(Nc1ccc(F)cn1)[C@H]1CCCCN1Cc1cccnc1 96410044 XZXGNIZZBGMNNC-OAHLLOKOSA-N 314.364 2.609 0 40 DFAB Cc1ccoc1C(=O)NCCCNC(=O)C1CCCCCC1 96413997 SSOJYTADIGQGLN-UHFFFAOYSA-N 306.406 2.795 0 40 DFAB Cc1ncc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)s1 97095911 DDZBRNXTQYGDGD-HNNXBMFYSA-N 316.426 2.925 0 40 DFAB C[C@H](Cn1cncn1)NC(=O)C1(c2cccs2)CCCCC1 96414289 JHUCTYIYQSOSIV-CYBMUJFWSA-N 318.446 2.746 0 40 DFAB Cc1cccc([C@@H](NC(=O)N2CCC[C@H]2CO)C(F)(F)F)c1 97100159 VLJFPBMTRANWMD-QWHCGFSZSA-N 316.323 2.765 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1C 96410842 XPJLXTQWZQULFV-UHFFFAOYSA-N 324.427 2.633 0 40 DFAB COc1ccc([C@@H](CO)N(C)C(=O)N[C@@H](C)c2ccco2)cc1 95449770 VBESNWNGNRALSY-SWLSCSKDSA-N 318.373 2.724 0 40 DFAB CC(=O)N(CCc1nc(-c2cn(C)nc2C)cs1)C(C)C 96484812 YUMZBFVJDJKDAC-UHFFFAOYSA-N 306.435 2.651 0 40 DFAB O=C(NCCNc1cccc(Br)c1)c1ccncc1 96499565 RJUBSVASLFOTSO-UHFFFAOYSA-N 320.190 2.686 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)ccn1 257311064 UHUICADLAHTYLQ-MRXNPFEDSA-N 321.384 2.977 0 40 DFAB CN(C)c1cc([C@@H]2CCCN(CC3CCOCC3)C2)ccn1 257268097 MKESQVUBKQPPCR-QGZVFWFLSA-N 303.450 2.754 0 40 DFAB O=C(c1cccnc1)N1C[C@H]2CCC[C@H](Cc3cnccn3)[C@H]2C1 257259039 KWORNDWDJLEIEW-QGPMSJSTSA-N 322.412 2.603 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2c(C(C)C)noc2C)C1 257315636 VCFMRPDWKMDVIT-GFCCVEGCSA-N 302.378 2.768 0 40 DFAB CN(C)c1cccc([C@H]2CN(Cc3cccs3)CCO2)n1 257242209 IBNJVFXTSACFRT-OAHLLOKOSA-N 303.431 2.783 0 40 DFAB C[C@@]1(C(=O)O)CCCN1CCC(=O)Nc1ccc(Cl)cc1 530208960 VUVBZTKRBCRAKN-HNNXBMFYSA-N 310.781 2.608 0 40 DFAB CC(C)c1nc(N2CCC([C@H](C)CO)CC2)c2cc[nH]c2n1 631331724 XVQHPYPNKIABGF-GFCCVEGCSA-N 302.422 2.926 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H]2NCCCC[C@@H]21 585183680 RXJBQZZYHHAUEW-SJORKVTESA-N 316.445 2.679 0 40 DFAB CC(C)c1ccc(OCCC(=O)NCCn2ccnc2)cc1 67026974 IYKDQIWNZMLSJB-UHFFFAOYSA-N 301.390 2.592 0 40 DFAB C[C@H](Sc1cccc2cccnc12)C(=O)NC(=O)NC1CC1 53727858 UFTCUMYXRZHHRQ-JTQLQIEISA-N 315.398 2.704 0 40 DFAB CNC(=O)c1cccc(N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 76084203 BZEOQDOCTGLSDS-QGZVFWFLSA-N 323.396 2.572 0 40 DFAB COc1ncccc1NC(=O)c1cc2ccccc2c(OC)n1 58217458 AIOUAYVOALKUBU-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB O=C1N[C@H](c2ccccc2)c2ccccc2/C1=C/N1CCOCC1 1509155 XJRGCHUHMPNDCL-GDLUXTLDSA-N 320.392 2.579 0 40 DFAB Cc1ccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 12545205 FJVYXBSRVUOMJM-ZDUSSCGKSA-N 316.426 2.594 0 40 DFAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)o2)N(C)C)cc1 15860109 SYPRTTWVHNTKNF-INIZCTEOSA-N 316.401 2.694 0 40 DFAB COC(=O)c1cc(CNC(=O)C2CCCCC2)ccc1OC 18060622 QXNBZZQNQWZYEU-UHFFFAOYSA-N 305.374 2.678 0 40 DFAB Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)cn1 19239188 BUBSWGQIIWBXLR-HNNXBMFYSA-N 321.384 2.825 0 40 DFAB CN(C)c1nccc(CNC(=O)Nc2ccccc2Cl)n1 206728952 IJGXBZDNCGDKTE-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1 210608 CNPRDMVXAGQDKX-UHFFFAOYSA-N 319.411 2.988 0 40 DFAB aggregator CC1CCC(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NC3CCC3)C2)CC1 1565543436 CWAXXUGAFXYMAI-XPYAJCMZSA-N 318.461 2.720 0 40 DFAB Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 5709472 BPCWAHCONLVSOW-UHFFFAOYSA-N 304.733 2.718 0 40 DFAB C[C@@H](Sc1nc2ncccn2n1)C(=O)c1c[nH]c2ccccc12 10074444 OWJSMGLIFGMXJM-SNVBAGLBSA-N 323.381 2.969 0 40 DFAB CCNC(=O)c1cc(NC(=O)C2CC=CC2)nc2ccccc12 96487272 QAZXWHRGRKHXNJ-UHFFFAOYSA-N 309.369 2.889 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCSc2ccccc21 31792881 XMOSYDKKDQKYNX-OAHLLOKOSA-N 315.442 2.933 0 40 DFAB CC1(C)CC(NC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)CC(C)(C)N1 351767 LAVHUBZXZZMGIY-STQMWFEESA-N 320.477 2.807 0 40 DFAB CCc1ccc(C(=O)NC[C@@H](CO)Cc2ccsc2)cc1 32803151 QINXPPMBQOXLFX-HNNXBMFYSA-N 303.427 2.892 0 40 DFAB O=c1c2[nH]c3ccccc3c2ncn1Cc1ccc2c(c1)OCO2 519779 PCBQJWGTXQBQMH-UHFFFAOYSA-N 319.320 2.655 0 40 DFAB biogenic O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccccc12 22391451 OYVOSFYNGXPZAD-UHFFFAOYSA-N 307.357 2.810 0 40 DFAB COc1ccnc(NCc2cccc(Cn3nc(C)cc3C)c2)n1 53573296 DJAJRUAJCFDGCH-UHFFFAOYSA-N 323.400 2.959 0 40 DFAB CCn1cnnc1CNC(=O)/C=C/c1cccc2ccccc12 47021692 FPSSKMQRXGGCRU-ZHACJKMWSA-N 306.369 2.781 0 40 DFAB Cc1ccccc1NC(=O)Cn1nc(C)c2ccccc2c1=O 188635 BWLYNODXADTNBE-UHFFFAOYSA-N 307.353 2.652 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N[C@H]1c2ccccc2C[C@@H]1O 77533767 WTFHAAVFKVMHPP-VHZYLWGESA-N 322.408 2.890 0 40 DFAB COc1cccc(F)c1C(=O)NC[C@H](C)Cn1nc(C)cc1C 78903151 HZKARRSHPYSUOF-NSHDSACASA-N 319.380 2.714 0 40 DFAB CCOC(=O)N(c1ccccc1)c1cc(=O)n2ccccc2n1 1636364 WUCYIBRIIMVLOC-UHFFFAOYSA-N 309.325 2.989 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)Cc2ccsc2)c1 2642357 ZVKQWQXBRGFRTP-UHFFFAOYSA-N 317.366 2.675 0 40 DFAB CNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 104536233 BRJITKKWUCCYRM-UHFFFAOYSA-N 323.352 2.545 0 40 DFAB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C)CC3)cc1 6688057 HPVBEMRHMBKASY-DBQDNQAGSA-N 317.385 2.827 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1ccccc1 3237533 OPYLTWCTMSRQDN-HUUCEWRRSA-N 303.402 2.952 0 40 DFAB CCOC(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 53664731 UVGWOMBISUCFRG-UHFFFAOYSA-N 324.808 2.573 0 40 DFAB O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CC1 3238857 IQHAMNXSVDXNGO-UHFFFAOYSA-N 315.394 2.754 0 40 DFAB COc1ccccc1N(C)C[C@@H](O)COCc1ccccc1F 48273988 AMSYNDDMIOMNKC-OAHLLOKOSA-N 319.376 2.848 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 12772426 KFOPZCLLPWNWBA-UHFFFAOYSA-N 322.320 2.567 0 40 DFAB biogenic CC[C@@H](C)NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235641 CLPOKOHNTQOCDT-LLVKDONJSA-N 302.374 2.558 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1ccco1 28021713 QNGALSSVQMNYRU-SIFUEBAJSA-N 310.353 2.923 0 40 DFAB CN1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1=O 45153526 XZFHGHNINWHZIT-DZGCQCFKSA-N 320.820 2.872 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1 3345000 XHKPRPYZXAWAGM-UHFFFAOYSA-N 310.275 2.965 0 40 DFAB C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(C)C 45856574 CTHUJGSHVHXBTF-JTQLQIEISA-N 320.776 2.807 0 40 DFAB COc1cccc(COC(=O)c2ccc([S@@](C)=O)cc2)c1 48326526 IJJNVRZEELARQE-NRFANRHFSA-N 304.367 2.790 0 40 DFAB COCCOc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cn1 95420417 MONBFPLUQKSHGF-CQSZACIVSA-N 308.422 2.543 0 40 DFAB CNc1snc(C)c1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 60692404 CVPLYPKLQRHROU-CMPLNLGQSA-N 311.451 2.818 0 40 DFAB CCn1ncc(Br)c1C(=O)Nc1ccccc1OC 2759256 LESQUXIIVOZNRU-UHFFFAOYSA-N 324.178 2.926 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1Cl)/C(O)=N/S(C)(=O)=O 48487006 SPDTXDURMVGTAY-ZCFIWIBFSA-N 312.174 2.677 0 40 DFAB CCCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1OC 4218247 FZWVAHBTTMGQTE-CJNGLKHVSA-N 305.374 2.860 0 40 DFAB NC(=O)c1csc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 93335722 ZAKHFJQCGOTPOQ-GFCCVEGCSA-N 304.390 2.976 0 40 DFAB O[C@@H](CN1CCC(Cn2cccn2)CC1)c1cc(F)ccc1F 65589617 UUPQDLQPXHHINJ-KRWDZBQOSA-N 321.371 2.607 0 40 DFAB CC(C)c1ccc(CN2CCN(C(=O)c3cnccn3)CC2)cc1 14111511 WYHIXWTYVQTAIG-UHFFFAOYSA-N 324.428 2.558 0 40 DFAB CCn1c(=O)n(Cc2nnc(-c3ccccc3)o2)c2ccccc21 14145572 ODZYXFGQJZOMDC-UHFFFAOYSA-N 320.352 2.921 0 40 DFAB O=C(COCC1CC1)NCc1ccc(Oc2ccccc2)nc1 65611756 LFOKIEHVCUZRRF-UHFFFAOYSA-N 312.369 2.917 0 40 DFAB CCC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 4592239 RMRYMZCHENQEFH-UHFFFAOYSA-N 307.346 2.635 0 40 DFAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2cc(O)ccc12 9302983 NFDMNXCVOPJCPA-UHFFFAOYSA-N 324.336 2.773 0 40 DFAB CC(C)(C)N(CC(N)=O)Cc1ccc(-c2ccncc2)cc1F 93759204 ARAQSGGBEMIPJS-UHFFFAOYSA-N 315.392 2.974 0 40 DFAB CCCSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 7254550 OOFLSVCGYFAEBL-UHFFFAOYSA-N 300.405 2.580 0 40 DFAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7472512 HAYRBHQZUZRQBS-CQSZACIVSA-N 300.402 2.979 0 40 DFAB Cn1cc([C@@H]2CCCN2C[C@H](O)c2ccccc2Cl)cn1 71797203 LXPBHWFMRTWRNS-HOTGVXAUSA-N 305.809 2.944 0 40 DFAB Cc1ccnc(NC(=O)NCc2ccccc2-n2ccnc2)c1 97372743 BRYUZTMAUWCFIU-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC(=O)N2)o1 96417130 XESYUQPOUXHECA-KBPBESRZSA-N 304.390 2.564 0 40 DFAB C[C@H](O)CNC(=O)c1cccc(Oc2ncnc3ccccc23)c1 70036891 LZPVTOFKVNGVGJ-LBPRGKRZSA-N 323.352 2.533 0 40 DFAB COC(=O)[C@H](c1ccc(F)cc1)N(C)Cc1cnc(C)s1 69378396 PSLTXIDHWLHZJD-AWEZNQCLSA-N 308.378 2.937 0 40 DFAB O=C(NCc1ccc(Cl)s1)NC[C@@H](O)Cc1ccccc1 71803870 WIWYYHLEFPBXLN-LBPRGKRZSA-N 324.833 2.804 0 40 DFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](CCO)C1 71856949 ADVANSYHBYGPEO-UONOGXRCSA-N 301.390 2.892 0 40 DFAB COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)c1 8575485 MFKRMUGDHMTVGC-UHFFFAOYSA-N 320.433 2.743 0 40 DFAB CCOCC(=O)N(C)[C@H](c1cccnc1)c1ccc(F)cc1F 69778444 YCXAWMLCZCLWFA-QGZVFWFLSA-N 320.339 2.944 0 40 DFAB COc1c(C)cnc(Cn2cnc3sccc3c2=O)c1C 69773272 BXYZMBGEWGIFJQ-UHFFFAOYSA-N 301.371 2.527 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)c2cccnc2N(C)C)C1 71899374 RNPGCDKBVGYHJO-CYBMUJFWSA-N 307.463 2.895 0 40 DFAB Cc1cc(CN2CCCN(c3nc4ccccc4[nH]3)CC2)no1 69816002 LTIBAVGUKRRTDL-UHFFFAOYSA-N 311.389 2.572 0 40 DFAB O=C(CCNCc1cccc(O)c1)N1CCc2sccc2C1 69930502 PKSWPEHVZJZMRJ-UHFFFAOYSA-N 316.426 2.518 0 40 DFAB CC(C)c1nnc2n1CCN(C(=O)c1ccc3cc[nH]c3c1)C2 69921864 PMNBAUJKKVSJBW-UHFFFAOYSA-N 309.373 2.539 0 40 DFAB Cc1cc([C@@H](NS(=O)(=O)[C@H]2CCOC2)C(C)C)c(C)s1 71911229 SELFJNIMFSVHTC-JSGCOSHPSA-N 317.476 2.770 0 40 DFAB CNC(=O)COc1cccc(OCc2c(F)cccc2F)c1 97054470 NXSVCSMOCMJHJW-UHFFFAOYSA-N 307.296 2.669 0 40 DFAB COc1c([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c(C)nn1C 72234308 GLVXYRJMBCQDRF-ZIAGYGMSSA-N 303.406 2.757 0 40 DFAB C[C@H](N[C@@H]1CCSC1)c1ccc(OCC(=O)NC2CC2)cc1 95967340 VQOJNRVAUAVBKW-SWLSCSKDSA-N 320.458 2.500 0 40 DFAB COC[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 95979579 YCGKCOPNUUFEBB-QWHCGFSZSA-N 318.200 2.568 0 40 DFAB CN(CC1CCC1)C(=O)NCc1ccnc(OCC2CC2)c1 89340248 OXGQWEDKOXISPW-UHFFFAOYSA-N 303.406 2.812 0 40 DFAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@H](C)Cc2ccc(C)s2)C1 89656519 FWDTXHGKFBMPBM-BZNIZROVSA-N 324.446 2.582 0 40 DFAB CO[C@@]1(C)C[C@H](NC(=O)N(C)Cc2c(C)noc2C)C1(C)C 76091610 RUFNZWYXRFIPNM-BBRMVZONSA-N 309.410 2.636 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCc1ccncc1 76009008 JHIMMBHHJCFHIR-HNNXBMFYSA-N 305.422 2.613 0 40 DFAB CC1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236391 MZRCWEBHROHDBZ-UHFFFAOYSA-N 302.349 2.550 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 24839072 HZYBFNYIEKQPTB-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB CCN1C(=O)S/C(=C/c2cc(C)n(CCOC)c2C)C1=O 409066276 KUWLOMMPBYSIEO-UKTHLTGXSA-N 308.403 2.808 0 40 DFAB CCn1cc(CC(=O)N2CCCCc3cc(OC)ccc32)cn1 550308612 BVITWXXMSODFHC-UHFFFAOYSA-N 313.401 2.824 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350050 OGDIXAHVHSKMKS-IHETXDGRSA-N 308.466 2.558 0 40 DFAB CCSc1cc(Cl)ccc1C(=O)NCCc1nncn1C 124634217 BRJXWHVBTJYXTR-UHFFFAOYSA-N 324.837 2.553 0 40 DFAB Cc1nc(NS(=O)(=O)c2ccc(C)s2)cc(C2CC2)n1 127465836 KEOIHVYGJAWLBU-UHFFFAOYSA-N 309.416 2.833 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1cn(C)nc1-c1ccccc1 180414154 ZTOLSCYQHXNOCL-RKVPGOIHSA-N 312.461 2.905 0 40 DFAB O=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 34916092 YUWADVBYEJFAOC-QGZVFWFLSA-N 322.408 2.789 0 40 DFAB O=C(Cn1ccc(C(=O)Nc2ccccc2)n1)Nc1ccccc1 36617875 NNQOYWRGHOPEOY-UHFFFAOYSA-N 320.352 2.774 0 40 DFAB CC(C)OC(=O)N1CCC(OC(=O)c2cc(C(C)C)[nH]n2)CC1 79037194 UQDXNMCPAKFJMC-UHFFFAOYSA-N 323.393 2.699 0 40 DFAB O=C(c1ncn[nH]1)N1CCS[C@@H](c2ccccc2Cl)CC1 219041995 TYHSSCCECQXQDN-GFCCVEGCSA-N 322.821 2.779 0 40 DFAB CNC(=O)c1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1 75899535 QRNBWOKFIIFWIK-GOSISDBHSA-N 312.413 2.602 0 40 DFAB CC(=O)NC(C)(C)c1noc(Cc2ccc3c(c2)CCCC3)n1 72546851 OWNHZYVLBSNLBO-UHFFFAOYSA-N 313.401 2.910 0 40 DFAB C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 566910632 UQMVVRPVCZEZNQ-JDFRZJQESA-N 300.333 2.602 0 40 DFAB CC(C)OCCCNC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225367304 DOPNVWAYUGZMNU-UHFFFAOYSA-N 319.401 2.783 0 40 DFAB Cc1c(Br)c(-c2ccccc2)nc2[nH]c(=O)[nH]c12 85389025 PPLPXRIGQSIFFS-UHFFFAOYSA-N 304.147 2.989 0 40 DFAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccccn1 48342520 HPAWGAJQQUIMFS-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCC 225007527 BPMYBYXXJSLKNS-AWEZNQCLSA-N 320.433 2.739 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](CC)N2CCCC2=O)C1 195532507 KNOOFIPJNIKSBV-MGPQQGTHSA-N 312.479 2.520 0 40 DFAB CC(C)[C@H]1CN(C(=O)COC[C@H]2CCCO2)c2ccccc2N1 81794535 VHHWZYSXVKVTCA-GDBMZVCRSA-N 318.417 2.665 0 40 DFAB CCCOc1ccc(/C=C/C(=O)NCCCC(=O)OC)cc1 44312202 AXHMPQKYEBCQTA-DHZHZOJOSA-N 305.374 2.558 0 40 DFAB CC(C)OCCCNc1ccc(C(=O)N2CCCC2)cc1N 225444466 CNHXAOPSVNUBPH-UHFFFAOYSA-N 305.422 2.732 0 40 DFAB CSc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1 225600810 KODOFLNZSZMLIA-UHFFFAOYSA-N 319.408 2.508 0 40 DFAB Cc1cccc(NC(=O)CCNC(=O)Nc2ccc(C)s2)n1 96441314 RFDGNDMDKAYRRN-UHFFFAOYSA-N 318.402 2.910 0 40 DFAB CCOc1c(F)cccc1C(=O)Nc1ccc(CC(N)=O)cc1 96430586 MDLWBWBCRPWSDT-UHFFFAOYSA-N 316.332 2.505 0 40 DFAB O=C(c1cccnc1)N1CCC[C@]2(CCN(CC3CCC3)C2)C1 96062981 FMEFQSGUDQQCTE-LJQANCHMSA-N 313.445 2.810 0 40 DFAB COc1ccsc1C(=O)NCc1ccc(C(C)=O)c(C)n1 95448361 DISRKZJZHHGNMW-UHFFFAOYSA-N 304.371 2.593 0 40 DFAB CN(C)c1ncc(NC(=O)c2ccccc2Cl)c(N(C)C)n1 96098753 WPQHXEZUNIYFHU-UHFFFAOYSA-N 319.796 2.514 0 40 DFAB C[C@@H](NCCCN1CCN(C)CC1)c1c(F)cccc1Cl 97235565 PISNPXRWMPRFND-CYBMUJFWSA-N 313.848 2.767 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(C)cc1 96518638 SLPQVFDMZVCZBL-LBPRGKRZSA-N 319.220 2.724 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@@H]1CCN(C(C)C)C1 96426310 FOLDEWXTHHTQLG-INIZCTEOSA-N 303.450 2.562 0 40 DFAB O=C(Cc1ccc(F)c(F)c1)N1CCc2ccccc2[C@@H]1CO 97097718 AEWYXLAVDFKAHZ-KRWDZBQOSA-N 317.335 2.626 0 40 DFAB CC[C@@H](OC1CCCCC1)C(=O)NCc1nc(C2CC2)no1 97227989 OBKBYCNUCRUYRA-CYBMUJFWSA-N 307.394 2.691 0 40 DFAB CCN1CC[C@@H](NCCCc2nc3ccccc3n2C)[C@H](C)C1 90050204 KZYVQLMELLATGB-HZPDHXFCSA-N 314.477 2.826 0 40 DFAB Cn1cnc(CN2CCC[C@@H](Cc3nccn4cccc34)CC2)c1 257333010 XZQSROQRYMMHDT-MRXNPFEDSA-N 323.444 2.913 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)s1 262362458 DIJAIAQKGGVCGC-LBPRGKRZSA-N 317.366 2.660 0 40 DFAB COCCOC1CCC(C(=O)N(C)c2ncccc2C)CC1 281152672 XQNDMFDGUZHXKS-UHFFFAOYSA-N 306.406 2.575 0 40 DFAB OCC1(c2ccccc2Nc2nc(Cl)ncc2Cl)CC1 642813682 GJHVQPMPGFDZCM-UHFFFAOYSA-N 310.184 3.551 0 40 DFAB O=C1NCCN1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826289 HELMTDMREWGSSO-NSHDSACASA-N 307.400 2.634 0 40 DFAB Cc1cc(Br)oc1C(=O)N1CCO[C@@H]2CCC[C@@H]21 53385409 HJEPCSVNKNTKPX-VHSXEESVSA-N 314.179 2.744 0 40 DFAB COc1ccc(CN(C)CCC(=O)NC2CCCC2)cc1F 58157365 UWAZEKVDSFZSET-UHFFFAOYSA-N 308.397 2.715 0 40 DFAB O=C(NCC[C@@H](O)C1CC1)Nc1ccccc1C(F)(F)F 77108800 MHLHAONSPBLARO-GFCCVEGCSA-N 302.296 2.988 0 40 DFAB Cc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)o1 40509961 QISZKERILLMNGU-UHFFFAOYSA-N 314.263 2.854 0 40 DFAB COc1cccc([C@@H](O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 89599026 YYLOOJOQDBRRTR-QAPCUYQASA-N 315.417 2.640 0 40 DFAB COC(=O)c1ccc(-c2nc(Cn3cccc(C)c3=O)co2)cc1 97082505 IAVYRYWLOMODBE-UHFFFAOYSA-N 324.336 2.647 0 40 DFAB Cc1cc(Cl)cc2c(=O)n(C[C@@H]3CCCO3)c(S)nc12 1775968607 GTXQQCIGCZSBFV-JTQLQIEISA-N 310.806 2.826 0 40 DFAB CN1C(=O)CN=C(c2ccc(O)cc2)c2cc(Cl)ccc21 5996065 IQFWLIWUKIFGKP-UHFFFAOYSA-N 300.745 2.859 0 40 DFAB in-vitro CCc1[nH]c2ccc(C(=O)NCCn3ccnc3C)cc2c1C 12147308 ZKKPXEYTGFVWSF-UHFFFAOYSA-N 310.401 2.974 0 40 DFAB Cc1cc(C)cc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 14274413 BHBRBNPKLVFPEE-KRWDZBQOSA-N 308.381 2.967 0 40 DFAB O=C(NCCCCc1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17053413 FGHCKURSFXJJHL-YVSFHVDLSA-N 315.413 2.872 0 40 DFAB CCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(N)c1 226349586 PMCJQRLEYPXGPZ-UHFFFAOYSA-N 316.357 2.937 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CCc2ncc(Cl)cc2C1 13265608 QAIYFVIZZDOSRY-UHFFFAOYSA-N 303.749 2.799 0 40 DFAB O=C(NCCCc1ccccc1)N1CCCN(C2CCC2)CC1 827939369 YNNSTPVFKWFSAV-UHFFFAOYSA-N 315.461 2.889 0 40 DFAB Cc1nccc(N2CCN(c3nsc4ccccc34)CC2)n1 1888901012 FGQDPLQUECOORA-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N3C[C@H]4CC=CC[C@H]4C3)C2=O)cc1 100226855 JIMBEDXEMSUMGM-HLLBOEOZSA-N 310.397 2.525 0 40 DFAB COc1ccc(Cl)cc1NC(=O)NC[C@@]1(O)C=CCCC1 618257388 WPEGXCDTJXKGMU-OAHLLOKOSA-N 310.781 2.941 0 40 DFAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC(F)(F)CC1 2298183864 CQMRHHPBSHKMFV-CYBMUJFWSA-N 309.360 2.556 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)cc1 50004924 GLLZYJBGNLANMT-UHFFFAOYSA-N 311.384 2.580 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2cccs2)n1 40120719 RWOBLNCPMYZMFW-GFCCVEGCSA-N 320.462 2.739 0 40 DFAB CCC[C@@]1(C)NC(=O)N(CCOc2c(C)cccc2C)C1=O 40116897 QLDNITGZLYESIZ-QGZVFWFLSA-N 304.390 2.793 0 40 DFAB CCCn1nc(C(=O)N2CC[C@@H](C)c3ccccc32)ccc1=O 40516482 QEOQSWORFTUREW-CYBMUJFWSA-N 311.385 2.807 0 40 DFAB C[C@H]1CN(Cc2ccc(CNC(=O)C3CCC3)cc2)C[C@@H](C)O1 40512533 LRHHTLGHTQLBQA-GASCZTMLSA-N 316.445 2.712 0 40 DFAB COCCOCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 31922931 YBGZSYQMVAMOHC-UHFFFAOYSA-N 301.770 2.729 0 40 DFAB Cc1ccc2oc(C(=O)NCCCOCC3CC3)cc(=O)c2c1 32750775 KZFZBSKAMXPMJM-UHFFFAOYSA-N 315.369 2.648 0 40 DFAB CN(CC(=O)N1CCC[C@H]1C1CCC1)C(=O)c1cccs1 102877781 BZYQOZSVWWQIEL-ZDUSSCGKSA-N 306.431 2.611 0 40 DFAB Cc1cccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)c1 526649 RPIVNTNOUBGVIM-ZROIWOOFSA-N 323.377 2.576 0 40 DFAB Cc1ccc2c(c1)[C@]1(CC(c3ccc(F)c(C)c3)=NN1)C(=O)N2 132541 WETVBFHWEBQEJX-GOSISDBHSA-N 309.344 2.988 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc[n+]1[O-] 47215820 JTQKLGBRLRGPGB-CYBMUJFWSA-N 300.358 2.665 0 40 DFAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccnc1 47565379 WDDXYOIZEMDCMC-UHFFFAOYSA-N 312.417 2.720 0 40 DFAB O=C(c1ccc(Br)s1)N1CCO[C@@H]2CCC[C@H]21 42291117 ZORXNJRKHGDUTI-RKDXNWHRSA-N 316.220 2.904 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1 1634159 ZKKUALLCPWHWNC-UHFFFAOYSA-N 308.378 2.754 0 40 DFAB CCn1cc(Cl)c(C(=O)N[C@@H](C)CN(C(C)C)C(C)C)n1 2782005 TYKWAVLYQCWFHO-LBPRGKRZSA-N 314.861 2.794 0 40 DFAB COC(=O)c1sc(NC(=O)Nc2ccccc2OC)nc1C 8395158 DGZGCELBLGGCPP-UHFFFAOYSA-N 321.358 2.891 0 40 DFAB C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C[C@@H](C)O1 12585076 GGYYSCNUILLUHW-PKRZQGHMSA-N 319.792 2.637 0 40 DFAB O=C1CSCC(=O)N1c1ccc(Cl)cc1C(F)(F)F 1388259 ASJAZPVUSDPASQ-UHFFFAOYSA-N 309.696 2.965 0 40 DFAB c1ccc(OCc2nnc3sc(-c4cccnc4)nn23)cc1 1428779 QWXJTZRJPJXRMF-UHFFFAOYSA-N 309.354 2.827 0 40 DFAB CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 3248023 GAYSANPSTCJRKL-UHFFFAOYSA-N 318.373 2.707 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1cc2ccccc2oc1=O 3265756 JCJTXXABFAVXPS-UHFFFAOYSA-N 319.320 2.599 0 40 DFAB aggregator CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1F 57355033 GAIKHRWICHODOO-RHSMWYFYSA-N 318.392 2.794 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 48234557 RWUSBCUJMYHXPV-SNVBAGLBSA-N 305.765 2.591 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1ccco1)C1CC1 48224495 HQILGVZGWRISHO-UHFFFAOYSA-N 308.341 2.665 0 40 DFAB O=c1ccc(-c2nnco2)cn1Cc1ccc(F)c2cccnc12 58167906 LUGCEAYLXIAJIS-UHFFFAOYSA-N 322.299 2.634 0 40 DFAB C[C@@H](NC(=O)Nc1ccncc1)c1ccc(-n2cncn2)cc1 44893072 DHCJOCNOIUWVQB-GFCCVEGCSA-N 308.345 2.545 0 40 DFAB COc1ccccc1-c1cc(NC(=O)c2cc(C(C)=O)c[nH]2)[nH]n1 58267094 KVOGAVZQIYLZPB-UHFFFAOYSA-N 324.340 2.868 0 40 DFAB COc1ccccc1-c1cc(C(=O)Nc2ncccc2O)no1 44915685 VJANCCHSDXCZET-UHFFFAOYSA-N 311.297 2.703 0 40 DFAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc2c(c1)CCC(=O)N2 44976453 KWEJLEABOKBKDV-MRVPVSSYSA-N 317.780 2.770 0 40 DFAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(F)c(F)c1 58326958 IBFAJDMBCGVLFN-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB CC[C@@H](Nc1ccc2c(c1)CCO2)C(=O)Nc1cc(C)on1 28343134 KGKSHBCJEVUKHY-CYBMUJFWSA-N 301.346 2.747 0 40 DFAB CCOc1cc(Cl)ccc1CNC(=O)c1c[nH]c(C)cc1=O 95434607 FMWMNYHUEDXXIU-UHFFFAOYSA-N 320.776 2.665 0 40 DFAB Fc1cccnc1O[C@@H]1[C@H]2CC[C@H]1N(Cc1ccoc1)CCO2 107721885 JVSDIGHQGSPVKY-OAGGEKHMSA-N 318.348 2.625 0 40 DFAB Nc1cc(C(=O)OCC(=O)NCC2CCCCC2)ccc1Cl 3451533 BKVJKMFVOUYPRA-UHFFFAOYSA-N 324.808 2.776 0 40 DFAB O=C(CNc1ccc2cccc(Br)c2n1)NC1CC1 89807917 CBOHQRZCRXBCRY-UHFFFAOYSA-N 320.190 2.688 0 40 DFAB CN(C(=O)CNc1cc(Cl)ccc1C(N)=O)c1ccccc1 25744807 APMPUKCHWWDTAM-UHFFFAOYSA-N 317.776 2.514 0 40 DFAB CCC(CC)n1ccc(-c2nc(C(C)(C)NC(C)=O)no2)n1 95428164 JYQXYPFDKREQPL-UHFFFAOYSA-N 305.382 2.665 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccncc3)n2)CN1c1ccccc1 49060269 IGFLOJLPMDPUCT-CYBMUJFWSA-N 306.325 2.652 0 40 DFAB COC(=O)c1cc(/C=C/C(=O)N[C@H](C)c2ccccn2)oc1C 9114317 QMBGCXZCAJBZIN-WSKFYRRCSA-N 314.341 2.660 0 40 DFAB COc1ccccc1CN(C)C(=O)COc1ccccc1OC 22527647 RVRQXEXBPHFPNH-UHFFFAOYSA-N 315.369 2.741 0 40 DFAB Cc1csc2nc(CN(C3CCCC3)C3CC3)cc(=O)n12 64808418 YUYOUONKUMBECG-UHFFFAOYSA-N 303.431 2.971 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N3CCCCCC3)C2)cc1 5029147 WSAWEPVTGJTTEO-INIZCTEOSA-N 302.374 2.591 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)c1C 4385169 ORXANHAYHPIVFD-LBPRGKRZSA-N 315.398 2.752 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc3ccccn23)[C@@H]1C 5212979 JLOHXJVFQIFKPW-JHJVBQTASA-N 318.446 2.762 0 40 DFAB O=c1c2c3c(sc2ncn1C[C@H](O)c1ccccc1)CCC3 14159883 XCFAXNFBUPJJEW-ZDUSSCGKSA-N 312.394 2.680 0 40 DFAB Nn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 409091045 SLTUXGHADHTJAX-UHFFFAOYSA-N 303.778 2.859 0 40 DFAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCCC2)oc2ccccc12 4581834 HNISALFYVQHNEJ-GFCCVEGCSA-N 301.342 2.909 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)NCC1CCCCC1 9335628 RQNXEJHSFYVCDF-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C(C)C 6533217 QUAPMAOYNJMDRB-UHFFFAOYSA-N 319.434 2.615 0 40 DFAB CCC1(CC)CN(C(=O)c2ccc(C(N)=O)cn2)c2ccccc21 95434627 FRMPDIPDHVRIKY-UHFFFAOYSA-N 323.396 2.899 0 40 DFAB COc1cccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 6874669 GNFVAXGFISQRFH-YVEFUNNKSA-N 302.374 2.696 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 84811859 PTEFJJGBKCGYCM-XOUADPBQSA-N 320.458 2.618 0 40 DFAB C[C@@H]1CC[C@H](C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)O1 89922858 DQSHVKQIBVLGTI-OLMNPRSZSA-N 310.397 2.987 0 40 DFAB Cc1nc(-c2cccs2)c(CC(=O)N2CCOCC2)s1 15840058 KJEPKSBBLGRIPM-UHFFFAOYSA-N 308.428 2.581 0 40 DFAB COc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1 7777438 XWNBOGSKXJHGII-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB biogenic CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCC(=O)N2)o1 96417133 XESYUQPOUXHECA-ZIAGYGMSSA-N 304.390 2.564 0 40 DFAB O[C@]1(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 90848491 XWSHJFPEZGRVSU-MJGOQNOKSA-N 317.429 2.520 0 40 DFAB COc1cc(NC(=O)c2cc(C)on2)c(Cl)cc1C(=O)O 8191125 LUQSHXKBSMBKFY-UHFFFAOYSA-N 310.693 2.596 0 40 DFAB C[C@H](Cn1cncn1)N[C@@H]1CCc2c(Br)cccc21 91311796 GYBSWFGTANYTDE-QMTHXVAHSA-N 321.222 2.706 0 40 DFAB Cc1cc(OCC(=O)Nc2cccc(C(N)=O)c2)ccc1Cl 9583471 VULAMEFBMVXYID-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)n1 71870085 VBGLIWFFBBGPIO-CYBMUJFWSA-N 306.797 2.786 0 40 DFAB COc1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1 71882857 WKCPIWZAVWFHEO-MRXNPFEDSA-N 310.397 2.633 0 40 DFAB Cc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn2c1=O 8394003 CJCPGISPNZEMAF-UHFFFAOYSA-N 313.169 2.828 0 40 DFAB O=C(NCCCNC(=O)c1cccs1)c1ccc(F)c(F)c1 69583371 AWNJKMJEOUGJMU-UHFFFAOYSA-N 324.352 2.576 0 40 DFAB CCN(C)[C@H](C(=O)NC[C@@H]1CCN(C(C)C)C1)c1ccccc1 69538236 XMLCYXIZXQJSCG-WMZOPIPTSA-N 317.477 2.526 0 40 DFAB CC(C)(CCCNC(=O)c1cc(Cl)ccn1)C1OCCO1 71907617 QNUVUXDMWPVOHL-UHFFFAOYSA-N 312.797 2.644 0 40 DFAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCc1ccccc1 69629960 XRDODJOZODSYAL-CQSZACIVSA-N 318.442 2.570 0 40 DFAB CC(=O)NCCCS[C@@H]1CCCN(c2cccc(F)c2)C1=O 89962637 QMGMKQYCCLKTDO-OAHLLOKOSA-N 324.421 2.581 0 40 DFAB CCc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)o1 69815099 QNBXKBPZVWLUDF-UHFFFAOYSA-N 319.430 2.647 0 40 DFAB C[C@H]1CN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H](C)S1 75890767 DPSOSDJIIVAFLP-VNHYZAJKSA-N 306.431 2.838 0 40 DFAB O=C(NC1CCCCCC1)N[C@H]1CCN(CC(F)(F)F)C1 72049538 DUGNGFZSZSEQHQ-LBPRGKRZSA-N 307.360 2.645 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)NCc1ccccc1N(C)C 97000284 VZVLQYHMWCJCKR-UHFFFAOYSA-N 322.405 2.679 0 40 DFAB Cc1occc1C(=O)NCC(=O)N1C[C@H](C)Cc2ccccc21 97096024 GUFHGFKRJPUNJI-GFCCVEGCSA-N 312.369 2.543 0 40 DFAB CN(C1CCCC1)C(C)(C)C(=O)Nc1ccc(NC(N)=O)cc1 97032323 ZVPVKQNXSLEFDD-UHFFFAOYSA-N 318.421 2.769 0 40 DFAB c1ccc(OCc2nc(CNCCn3cccn3)cs2)cc1 72267761 SWIZGTUMYDKIBI-UHFFFAOYSA-N 314.414 2.708 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NCc1noc(C(C)(C)C)n1 72288683 KMDFMXHXJPOXRE-LBPRGKRZSA-N 317.389 2.589 0 40 DFAB CC(C)N1CCO[C@@H](c2noc(Cc3ccc(F)cc3)n2)C1 95999274 RMGCWLPRVSWWKB-CQSZACIVSA-N 305.353 2.581 0 40 DFAB O=C(Nc1ccccc1)Nc1ccccc1CN1CCNC1=O 97113903 FUGHBKVAACQNAR-UHFFFAOYSA-N 310.357 2.856 0 40 DFAB COc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 74696732 UTYOPIQMNNDVFH-UHFFFAOYSA-N 307.353 2.611 0 40 DFAB Cc1nc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cs1 75130535 OEFINKGWMJDICK-CYBMUJFWSA-N 304.419 2.779 0 40 DFAB O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 1519330050 UXCLCTXZZQVCST-HNNXBMFYSA-N 321.384 2.820 0 40 DFAB O=C(c1ccncc1)N1CCn2c(-c3cccc(F)c3)cnc2C1 306123413 AMGWFYIWUVQUSW-UHFFFAOYSA-N 322.343 2.740 0 40 DFAB c1ccc(CCN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc1 306133345 MJCOMKSAJOBRFD-IBGZPJMESA-N 324.472 2.653 0 40 DFAB CC1CCN(C(=O)c2ccc(NC3CCC(O)CC3)nc2)CC1 79029336 FDFHDVITQRCNKW-UHFFFAOYSA-N 317.433 2.669 0 40 DFAB Cc1ccnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)n1 78343392 YQUIIROXMLXMFD-UHFFFAOYSA-N 311.311 2.911 0 40 DFAB O=C(O)[C@H]1CS[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 36612332 OFNXIAXOKQRXIE-ZYHUDNBSSA-N 309.778 2.518 0 40 DFAB Cc1noc([C@@H]2CCCN([C@@H](C(=O)O)c3ccccc3C)C2)n1 565104051 MICRYFFMMYHJDN-UKRRQHHQSA-N 315.373 2.692 0 40 DFAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1ccco1 71195629 SZXKVGWPFUCOSU-CYBMUJFWSA-N 308.341 2.668 0 40 DFAB CCC[C@@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224388213 ONKJBQLLDCOBDL-CYBMUJFWSA-N 324.446 2.535 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1 47524035 JKRZDZDXRCIWLS-UHFFFAOYSA-N 322.380 2.955 0 40 DFAB Cc1cc(Cl)cc2c1N(CC(=O)NC1CCOCC1)CCC2 80739524 IRELMIOZNATYKX-UHFFFAOYSA-N 322.836 2.696 0 40 DFAB Oc1nc(SCc2ccccn2)ncc1CN1CCCCC1 43804341 OGLUOVONTIZCTA-UHFFFAOYSA-N 316.430 2.855 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)N1CCCCC1 226851440 WNPVHAIJGWCINV-HNNXBMFYSA-N 313.401 2.961 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 69619594 UCOFOULHQRPEPG-JTQLQIEISA-N 304.312 2.810 0 40 DFAB Clc1cc(N[C@H]2CCCOC2)ccc1CN1CCOCC1 195560539 YNDJXGQDSUGZND-HNNXBMFYSA-N 310.825 2.763 0 40 DFAB Cc1ncc(CNC(=O)c2cccnc2C(F)(F)F)s1 195578026 UGKLUZYKEPXOAV-UHFFFAOYSA-N 301.293 2.795 0 40 DFAB CCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1C 96735810 RHXDUPNWPWHRAI-UHFFFAOYSA-N 310.353 2.993 0 40 DFAB CC(C)C[C@@H](C)OC(=O)N1CCC(N2CCCOCC2)CC1 583651605 PFNFXSHSVMNQNV-OAHLLOKOSA-N 312.454 2.744 0 40 DFAB C[C@@H](CNC(=O)Cc1cccc(O)c1)Oc1ccc(F)cc1 96441038 DKDVGBOWABZMBT-LBPRGKRZSA-N 303.333 2.658 0 40 DFAB CCN1CCOC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 96049594 DNMPCECJMZWQMP-SFHVURJKSA-N 306.425 2.760 0 40 DFAB COCC[C@@H]1CCOC12CCN(Cc1scnc1C)CC2 248019129 ILZMZMWCYFOMAC-CQSZACIVSA-N 310.463 2.859 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2C(C)(C)O)C1 245343933 WNJGDOTVJPIUCW-UPJWGTAASA-N 300.468 2.606 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2scnc2C)nc(C)n1 257221522 DPKIWZHRZYCAJI-CYBMUJFWSA-N 303.435 2.929 0 40 DFAB Cn1cncc1-c1nccnc1C1CCN(c2ccccn2)CC1 257344030 ZVMBGYHTKSHOFO-UHFFFAOYSA-N 320.400 2.656 0 40 DFAB O=C(COc1ccccc1Cl)N1CC[C@H]2NCCCC[C@H]2C1 257292005 QJOVGHKHLIPYGR-DZGCQCFKSA-N 322.836 2.709 0 40 DFAB CNc1ncccc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257306552 SUSUTVWRZOUSQS-AWEZNQCLSA-N 322.416 2.774 0 40 DFAB CN1CCc2cc([C@@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 96362193 KBTXTEHISYXGDB-VQFGERMISA-N 322.408 2.542 0 40 DFAB O=C(N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1)C1(F)CC1 585101008 SQGXWXIZYKNNQM-KRWDZBQOSA-N 316.376 2.534 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2c(C)nn(C)c2Cl)n1 71878652 KEQDLKVVZCLSMD-AWEZNQCLSA-N 321.856 2.860 0 40 DFAB O=C(c1ccc(Cl)s1)N1CC[C@H](Oc2cnsn2)C1 670848487 TUOCRQSVCCQLJH-ZETCQYMHSA-N 315.807 2.547 0 40 DFAB O=C(COC[C@@H]1CCCN2CCCC[C@H]12)Oc1ccccc1 5647524 DGRPNXSKYKPQDI-DOTOQJQBSA-N 303.402 2.873 0 40 DFAB biogenic,in-vitro CN(CCCNC(=O)COc1ccc(F)cc1)c1ccccc1 17826656 WPFFMQLKXQBAMG-UHFFFAOYSA-N 316.376 2.847 0 40 DFAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H](Cc3ccccc3)CN2C1 19372771 NODBEUOYVUNKEU-QHAWAJNXSA-N 322.452 2.549 0 40 DFAB CCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 156778455 JLKRWMTWJWEGAV-UHFFFAOYSA-N 319.810 2.595 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1cccs1 3379362 MXVPGYSGVZGOLG-UHFFFAOYSA-N 305.355 2.861 0 40 DFAB CCCn1c(S[C@@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 4547418 BBNNFOTYKOXKAA-VIFPVBQESA-N 324.837 2.974 0 40 DFAB COc1ccc(CN2CCC(COc3ncccn3)CC2)cc1 1888857198 HWRLRVTWNCDIMH-UHFFFAOYSA-N 313.401 2.776 0 40 DFAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1O 4949942 BJEXMTPZXHDVDT-UHFFFAOYSA-N 303.314 2.912 0 40 DFAB CC(=O)N1CCc2ccc(NC(=O)COc3ccccc3)cc21 13695979 FIJSCONNIOGUFE-UHFFFAOYSA-N 310.353 2.613 0 40 DFAB O=C(/C=C/c1ccccc1)Nc1cnn(CC2CCOCC2)c1 206836893 AEGQGBGIIAOMMM-VOTSOKGWSA-N 311.385 2.962 0 40 DFAB CC(C)[C@H](Cn1ccnn1)NC(=O)c1cccc2ccccc12 575617513 WGZVUNXBBBUTOD-KRWDZBQOSA-N 308.385 2.886 0 40 DFAB O=C(NC[C@H]1CCCN1c1ncccn1)c1ccccc1Cl 618255989 BNBUNRWTLYOREU-GFCCVEGCSA-N 316.792 2.529 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NCCNc3cnccn3)cc2C1 40087272 OYMPOBDXNHTZRN-LLVKDONJSA-N 316.430 2.505 0 40 DFAB Cc1ccc(CNCc2ccccc2S(=O)(=O)N(C)C)cc1 30657932 GCSBQTTZNDSWOR-UHFFFAOYSA-N 318.442 2.535 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)s1 31314002 PVIWGUJTWKXXCR-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB O=C(NCc1ccco1)NC[C@@H](c1cccs1)N1CCCC1 40474229 HIQOYZNZPWIVQU-AWEZNQCLSA-N 319.430 2.977 0 40 DFAB CC(=O)Nc1cccc(-n2nnnc2SCCC(C)C)c1 31620834 NLOGNQUPMQRLQN-UHFFFAOYSA-N 305.407 2.759 0 40 DFAB O=C(NCCCNCc1cccnc1)c1ccc(Cl)s1 51172574 RTELBOJVDJQOQV-UHFFFAOYSA-N 309.822 2.706 0 40 DFAB O=C1CCCCN1CC1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 101412517 VGEBBSQNUPCMBF-HOTGVXAUSA-N 318.461 2.674 0 40 DFAB CCOc1c(CNc2ccc3[nH]c(=O)[nH]c3c2)cccc1OC 20879853 DJNHFTALDSGOLE-UHFFFAOYSA-N 313.357 2.876 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccco2)cc1 32747877 FHYRDOABAKAPJN-UHFFFAOYSA-N 312.247 2.824 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccncc3)C2)cc1 32726733 OGBYIGAHKJYXJT-MRXNPFEDSA-N 323.396 2.881 0 40 DFAB CNC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2OC)c1 32740864 QNTOQZOTOSOOHT-UHFFFAOYSA-N 312.369 2.544 0 40 DFAB CC1(C)NC(=O)N(CCCN2CCC[C@@H]2c2ccccc2)C1=O 52431973 WBKZISGIBUMZHA-OAHLLOKOSA-N 315.417 2.544 0 40 DFAB CC(C)NC(=O)Cc1ccc(NC(=O)Nc2nccs2)cc1 52796945 ODCPLZCFKCYOPB-UHFFFAOYSA-N 318.402 2.854 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1=O 41596330 LTTDIBHANAQLQX-CYBMUJFWSA-N 317.414 2.692 0 40 DFAB C[C@@H]1[C@@H](O)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 43917 NCLNBERWMRBQDE-OCAXQNDTSA-N 300.310 2.600 0 40 DFAB C[C@@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)O 151196 GMKCRBXIKKXKSG-SECBINFHSA-N 300.266 2.905 0 40 DFAB Cc1ccc(NC(=O)CN2C(=S)NC(C)(C)C[C@@H]2C)cc1 212549 QRAMCZCHPSTROR-LBPRGKRZSA-N 305.447 2.681 0 40 DFAB CC1(C)C[C@@H](CCC(=O)NC(=S)Nc2ccccc2)C(=O)O1 209056 JWAVGJINPYMMTJ-LLVKDONJSA-N 320.414 2.622 0 40 DFAB Cn1c(C(=O)NC2CCC(C(=O)O)CC2)cc(Cl)c1Cl 37561556 RLWFFOZKFVBCQG-UHFFFAOYSA-N 319.188 2.705 0 40 DFAB O=S(=O)(Nc1cccc(Br)c1)N1CCCCC1 1683325 VQCSWZRZTHZKIV-UHFFFAOYSA-N 319.224 2.592 0 40 DFAB Cc1ccccc1OCC(=O)OCC(=O)c1ccc(F)cc1 3234694 PZJOHOWTQHPBIC-UHFFFAOYSA-N 302.301 2.939 0 40 DFAB C[C@H]1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)O)cc1 4256123 JHJQYTDZECIXOV-LBPRGKRZSA-N 316.382 2.936 0 40 DFAB COc1ccc(OC[C@H]2CCCNC2)c(Br)c1 42774355 QSVRKLIMXDJGRZ-JTQLQIEISA-N 300.196 2.836 0 40 DFAB C[C@@H](NC(=O)NCc1ccccn1)c1ccc2c(c1)CCC(=O)N2 42880069 PGVYIGOTUGPERT-GFCCVEGCSA-N 324.384 2.527 0 40 DFAB O=C(NCc1ccoc1)NC[C@H](c1ccco1)N1CCCC1 43167274 KEGMDBIQJGHEND-CQSZACIVSA-N 303.362 2.509 0 40 DFAB Cc1ccc(C)c(Oc2ccc(CNS(C)(=O)=O)cn2)c1 56064998 WNIVYXRUKXDHAD-UHFFFAOYSA-N 306.387 2.540 0 40 DFAB O=C(c1cc(-c2ccccc2F)on1)N1CCO[C@H]2CCC[C@@H]21 56193848 DHADFKXEZQSHQK-GJZGRUSLSA-N 316.332 2.874 0 40 DFAB CC(C)c1nnc(NC(=O)NCc2ccc3c(c2)OCO3)s1 43696535 XXKUGLONGZBIKX-UHFFFAOYSA-N 320.374 2.712 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(C)c2C)no1 10028218 WHPUMNQKCVMPCZ-GFCCVEGCSA-N 302.330 2.784 0 40 DFAB C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccncc1 44894888 VRUGWOUJWRLNGP-AWEZNQCLSA-N 306.369 2.817 0 40 DFAB CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1nnc2n1CCC2 95941303 RBKIAMPEEUMYEF-MRXNPFEDSA-N 313.380 2.722 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COc1cc(Cl)ccc1C(N)=O 58293082 ZXODCQFBZXEDMT-QWRGUYRKSA-N 324.808 2.607 0 40 DFAB COc1c(C)cnc(CSCc2nnnn2C(C)C)c1C 95991023 BDXLSPUXDBWHBP-UHFFFAOYSA-N 307.423 2.708 0 40 DFAB O=C(Nc1ccc2nncn2c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 95992126 PNXTYSDPGYZSGH-VXGBXAGGSA-N 314.295 2.750 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(N(C)C)c2)c1C 58333111 ZRWWMAQKSDUZBS-UHFFFAOYSA-N 313.401 2.830 0 40 DFAB CCN(CC)CCCNCC(=O)N[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C 100467105 RIDNVQLKWFLQJF-BXWFABGCSA-N 323.525 2.639 0 40 DFAB O=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1 58415341 UMSPFRZGNWKIQZ-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCSc2ccccc21 45552706 ATAJSLDAPJYPOT-AWEZNQCLSA-N 316.430 2.799 0 40 DFAB C[C@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCO4)c2C1 20572132 CRFMWUVHPTVHAM-VIFPVBQESA-N 300.314 2.780 0 40 DFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1ccccc1 22765946 WMXQYHLPFRKLTG-MRXNPFEDSA-N 316.426 2.551 0 40 DFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)cc1 9313521 RIJFCXDOLOUTDK-HNNXBMFYSA-N 315.373 2.767 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)C1CCCC1 5507791 HEYXOKINLPQYIP-UHFFFAOYSA-N 319.357 2.535 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(C)on1 9496873 OQLUSFZNPLQLQK-LLVKDONJSA-N 304.302 2.508 0 40 DFAB C[C@H]1CCC[C@H](C)N(C(=O)CCOc2ccc(C(N)=O)cc2)C1 96451355 XWEJNYZBRLTIPX-KBPBESRZSA-N 318.417 2.592 0 40 DFAB Cc1n[nH]c2ncc(NC(=O)[C@H]3OCCc4ccccc43)cc12 90408373 ZTRVTOGADUDTFC-HNNXBMFYSA-N 308.341 2.519 0 40 DFAB Cc1ccccc1C[C@H](C)NC[C@H](c1cnn(C)c1)N(C)C 95422641 KWVUHPPSLVVUAX-MAUKXSAKSA-N 300.450 2.552 0 40 DFAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCO2 16015583 AWLQGNIQMQOROJ-UHFFFAOYSA-N 324.336 2.560 0 40 DFAB CN(CC(=O)N1CCC[C@@H]1c1ccccn1)Cc1ccccc1 68435519 ZEVMENDMDZRYBU-GOSISDBHSA-N 309.413 2.877 0 40 DFAB COC1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 71881421 WFCITNAXTYGFMO-UHFFFAOYSA-N 317.414 2.765 0 40 DFAB CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)Nc1ccccc1 71888198 YDSZOHPOLWXHCN-JKSUJKDBSA-N 323.396 2.719 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccsc2)CC1 71835158 HYUAKDDLKGPSPK-LSDHHAIUSA-N 316.426 2.789 0 40 DFAB COc1ccc(-c2nsc(NC(=O)COCC3CC3)n2)cc1 69558437 LDAVRQIDBDKQSH-UHFFFAOYSA-N 319.386 2.579 0 40 DFAB Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91777174 LQNTYMVZNBJOPE-CJNGLKHVSA-N 318.323 2.616 0 40 DFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCc2cncnc2C1 69737138 RSMUEHCRSBBMCO-JTQLQIEISA-N 313.386 2.707 0 40 DFAB CCSc1cncc(NC[C@H]2COc3ccccc3O2)n1 84812153 YEZWENSJOBRCSN-NSHDSACASA-N 303.387 2.841 0 40 DFAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N1CCSCC1 83927573 UVAWYNKCPNFMER-SNVBAGLBSA-N 307.444 2.672 0 40 DFAB COc1cccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 74098796 RDBAMICMWFJLLW-QGZVFWFLSA-N 312.369 2.916 0 40 DFAB C[C@H](OC(=O)c1cncc(F)c1)c1cn(-c2ccccc2)nn1 95965764 YBBQAAJOODJKGA-NSHDSACASA-N 312.304 2.719 0 40 DFAB Cc1cnc(C(=O)OCc2ccc(-n3cccn3)cc2C)cn1 97086245 UGCLNPMBDRWCCM-UHFFFAOYSA-N 308.341 2.636 0 40 DFAB COC1(CNC(=O)Nc2cccc(Cn3cccn3)c2)CCC1 97056464 URKRXPGFPDDLPV-UHFFFAOYSA-N 314.389 2.622 0 40 DFAB Cc1cnc(CN(C)[C@@H]2CCN(CCc3cccs3)C2)o1 84258894 DEXUTLACHPSDBN-CQSZACIVSA-N 305.447 2.793 0 40 DFAB Cc1cccc(CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 97145900 MHQPIYRDLIOQNB-LSDHHAIUSA-N 305.422 2.925 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@H]3CCC[C@H]3C)cc2)CC1 97113578 MLADIWWMZWTHBL-BEFAXECRSA-N 315.461 2.951 0 40 DFAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc[nH]1 97107716 REWPORAXQYBSPW-UHFFFAOYSA-N 314.320 2.566 0 40 DFAB O=C1COc2cc(NCc3cccc(-n4cccn4)c3)ccc2N1 97113746 BTGXEDFHODJXOG-UHFFFAOYSA-N 320.352 2.815 0 40 DFAB CCn1nc2c(cc1=O)CN(Cc1ccc(Cl)s1)CC2 72302168 SCMPLOASBXKNEF-UHFFFAOYSA-N 309.822 2.536 0 40 DFAB CCCN1CC[C@H](CNC(=O)Nc2ccc(OCC)cc2)C1 97257897 KBWAZJIRIFDYNW-CQSZACIVSA-N 305.422 2.939 0 40 DFAB Cn1ccc2c(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cccc21 72406499 TXDKNNGNMHTURC-INIZCTEOSA-N 319.364 2.992 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc1 97372795 NEZVICPPYCFKMT-CFVMTHIKSA-N 301.390 2.859 0 40 DFAB O=C(Nc1ccc(Cl)cc1O)c1ccnc(-n2ccnc2)c1 95974014 BFSSDXHZLIUJJU-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB Cc1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cn1 89652182 UZNPZXWNFGWTLL-GOSISDBHSA-N 310.397 2.864 0 40 DFAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ccnc(Cl)c1 75267683 SBLLKMLPHJOPTK-MRVPVSSYSA-N 317.197 2.913 0 40 DFAB O=C1CCCN1[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 89780924 PVHIZFQSYWGCFQ-HNNXBMFYSA-N 313.376 2.965 0 40 DFAB Cc1nnc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 89736445 IUSHIMPJGGYYBQ-GFCCVEGCSA-N 322.821 2.742 0 40 DFAB Cc1nnc(COc2c(Cl)cc(C(=O)O)cc2Cl)o1 75572332 KRTLBFNMFZAVCX-UHFFFAOYSA-N 303.101 2.962 0 40 DFAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H](n2cncn2)C1 75602502 SWOHIKCMPHIPKE-QGZVFWFLSA-N 310.401 2.634 0 40 DFAB O=C(CCCc1ccccn1)NCc1nc2ccc(F)cc2[nH]1 76092416 GXPNGSHSIQLAGE-UHFFFAOYSA-N 312.348 2.736 0 40 DFAB COc1ccc(COC(=O)c2ccn(-c3ccccc3)n2)cn1 76091012 GEZJLTXIIOIAKM-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB Cc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1F 76057946 RCDCBDLDGOTEOA-GUYCJALGSA-N 304.409 2.871 0 40 DFAB CN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357949 IWXPLZBWQQBRPC-IBGZPJMESA-N 323.440 2.898 0 40 DFAB CCOc1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210309 VQRZKBHVJZMPPE-UHFFFAOYSA-N 309.325 2.574 0 40 DFAB O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccc1 306136288 POYRUPBRYPGQPQ-MOPGFXCFSA-N 321.424 2.779 0 40 DFAB O=C(CCn1cccc1)Nc1cc(Cl)ccc1-n1cncn1 524734780 MZXOOHACBHOMOI-UHFFFAOYSA-N 315.764 2.751 0 40 DFAB COCc1cc(C(=O)NCC(C)(C)c2ccc(OC)cc2)no1 79806975 KROOMMKWZPSDLC-UHFFFAOYSA-N 318.373 2.537 0 40 DFAB COc1cc(F)ccc1-c1ccc(=O)n(CN2CCCCC2)n1 79474425 QSWMJXHNUGGOSF-UHFFFAOYSA-N 317.364 2.501 0 40 DFAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccncc2)n1 72322160 MJAHADHWUCECIL-AWEZNQCLSA-N 300.406 2.676 0 40 DFAB biogenic,in-vitro O=C1NCCCC[C@@H]1SCc1csc(-c2ncccn2)n1 78555768 ZXAXXBCFCDXREA-NSHDSACASA-N 320.443 2.502 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cn1 72330195 BUGDNKCDMYSOHL-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1COCCO1 79093425 BYINULVCIDDAAY-VXGBXAGGSA-N 316.184 2.512 0 40 DFAB Cc1nc(C[C@@H]2CCCNC2)cc(Nc2ncc(C)s2)n1 77010975 JROBRJZCXUHGJV-LBPRGKRZSA-N 303.435 2.836 0 40 DFAB CCCCNC(=O)C1CCN(Cc2cccc(OC)c2)CC1 48042749 WTOJZEHXONTEFB-UHFFFAOYSA-N 304.434 2.824 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 44442905 CXRLXHGCIUELCN-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB CCOC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCCCC1 225708739 WUOTZFPPFRYMSJ-UHFFFAOYSA-N 321.373 2.828 0 40 DFAB COc1ccc(-c2n[nH]cc2[C@@H]2CC(O)=Nc3c2cnn3C)cc1 49548881 JLDRNBPUZVWFGY-LBPRGKRZSA-N 323.356 2.942 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223131243 OGMCLFRIHVOEBY-CQSZACIVSA-N 304.434 2.771 0 40 DFAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ccc2c(c1)OCCO2 530173144 CYQLHFFSFAMNBH-VXGBXAGGSA-N 305.374 2.531 0 40 DFAB Cc1cc([C@H](O)CCNC(=O)NCc2cccs2)c(C)o1 85562055 DDLBLCHWTIPVJB-CQSZACIVSA-N 308.403 2.881 0 40 DFAB CN(c1nc(O)c2cnn(C)c2n1)[C@@H]1CCC[C@H]1C(C)(C)C 574623689 DACXWDDZBHODIY-VXGBXAGGSA-N 303.410 2.720 0 40 DFAB CCOc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1 85397413 LMEQILJVKFOOKO-UHFFFAOYSA-N 320.370 2.794 0 40 DFAB O=C(c1ccoc1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046491 YGBSCOIPZGXUHM-UHFFFAOYSA-N 302.399 2.689 0 40 DFAB COC(=O)Nc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1 97428847 QOJGLADKMQOVLY-SECBINFHSA-N 303.145 2.997 0 40 DFAB CC[C@H](C)c1cc(C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)on1 96422367 NGSQWGNVDGOWEV-WFASDCNBSA-N 321.421 2.565 0 40 DFAB Cn1cccc1[C@H]1COCCN1Cc1nc(C2CCCC2)no1 97103528 LRBLXTWTJFXBBS-OAHLLOKOSA-N 316.405 2.639 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2NCCn1cnnc1C1CC1 90032469 PFLGWOYCTISMBK-KRWDZBQOSA-N 312.417 2.831 0 40 DFAB O=C1[C@H]2CN(Cc3ccncc3)C[C@@H]2CCN1c1ccsc1 96082110 DQPIREZCLOLGOW-HOCLYGCPSA-N 313.426 2.628 0 40 DFAB CC(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(CC1CC1)C2 96217312 FLPGSAOGWDODIZ-SFHVURJKSA-N 320.477 2.526 0 40 DFAB COC[C@H]1CC2(CCN(c3nnc(C)s3)CC2)CN1C(C)C 96215285 VINDQHYYAZCMQS-CQSZACIVSA-N 324.494 2.562 0 40 DFAB COC(=O)c1cc([C@H]2Nc3ccccc3C(=O)N2C)oc1C 22018316 ZMMSPGUUIAUFQM-AWEZNQCLSA-N 300.314 2.571 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)NC[C@@H](O)c1ccsc1 96417671 JESPFHZSROPZRI-IAQYHMDHSA-N 322.405 2.851 0 40 DFAB O=C(O)[C@H]1CC(=O)N(CCSCc2ccccc2Cl)C1 95725643 PYVFHFUNXIKNHY-NSHDSACASA-N 313.806 2.506 0 40 DFAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccnc(N)n2)n1 96319438 UWWXTDHKJSHFMO-UHFFFAOYSA-N 319.324 2.542 0 40 DFAB COC(=O)[C@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)C1 255188976 MWSBKJHTPNMHSX-XDQVBPFNSA-N 310.390 2.514 0 40 DFAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 29115042 BGDNGGBQHTTZOR-HNNXBMFYSA-N 318.348 2.898 0 40 DFAB COCCCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O 71909638 JWRIRCGSOUKHOP-UHFFFAOYSA-N 304.312 2.956 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 43417437 YGKCGFZAJVANEB-YPMHNXCESA-N 310.419 2.790 0 40 DFAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 53516909 VCAMIGXLFFRWNH-RYUDHWBXSA-N 324.384 2.534 0 40 DFAB CCO[C@@H](C)c1noc(Cn2c(=O)sc3ccccc32)n1 72675069 JPJYJWGJWWSLNB-VIFPVBQESA-N 305.359 2.592 0 40 DFAB Cc1cc(CNC(=O)N[C@H](C)c2cnn(C)c2)cc(C)c1F 79069695 WQZOCBAXUJXPOA-GFCCVEGCSA-N 304.369 2.736 0 40 DFAB COC(=O)c1ccc(F)c(CNC(=O)c2sc(C)nc2C)c1 97082894 FYHQRNKVULKHMP-UHFFFAOYSA-N 322.361 2.616 0 40 DFAB C[S@](=O)C1(CNC(=O)NCC2(C3CCC3)CCC2)CCC1 515040282 ZXYFABGQOZLQMF-NRFANRHFSA-N 312.479 2.557 0 40 DFAB CCC1(CC)CN(Cc2ncccc2Cl)CCS1(=O)=O 528456756 GUPZFWJTGPFNFW-UHFFFAOYSA-N 316.854 2.524 0 40 DFAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccn1 5456016 OOJBHDHVARCJIT-QGZVFWFLSA-N 324.380 2.992 0 40 DFAB C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2CCCCN2[C@@H]1C 5758911 YDJNSPIIQAKURJ-IDCNUPLLSA-N 300.446 2.997 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2ccc(F)cc2F)CC1 13265827 OVYOLDHXWAKOHS-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB CC(C)[C@@H](Cn1ccnn1)NC(=O)C12CC3CC(CC(C3)C1)C2 575607557 IQWUPYSCCAWGFW-QFQXCOSMSA-N 316.449 2.635 0 40 DFAB COCn1cc(F)c2c(NCc3ccc(OC)cc3)ncnc21 584907029 SWNGEYVJHIGFNL-UHFFFAOYSA-N 316.336 2.795 0 40 DFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(OC)cc1 5391423 CPDIKIUKAHHYEN-LLVKDONJSA-N 317.341 2.982 0 40 DFAB c1ccc(N2C[C@H]3CCN(Cc4ccc5c(c4)CCO5)[C@H]3C2)nc1 1889128415 FYUFTGLZSIVNDI-MSOLQXFVSA-N 321.424 2.727 0 40 DFAB CCCc1cc(=O)[nH]c2nnc(SCc3ccc(C)cc3)n12 4250251 KUTCNSRCDDCYCN-UHFFFAOYSA-N 314.414 2.971 0 40 DFAB Cc1cc(NC(=O)CN2CCCc3cc(F)c(F)cc32)no1 40086149 CTPNAAJDCFVJLU-UHFFFAOYSA-N 307.300 2.653 0 40 DFAB CCN(C(=O)NC[C@H]1COc2ccccc2O1)C1CCCC1 40151582 ZKFLBNACJHGGEW-AWEZNQCLSA-N 304.390 2.801 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCCO3)on1 40487683 SMYMFAWFABFNAB-NSHDSACASA-N 317.345 2.583 0 40 DFAB CS(=O)(=O)c1cccc(Oc2cnc3ccccc3n2)c1 40555711 PAYVJTMKROIOEI-UHFFFAOYSA-N 300.339 2.826 0 40 DFAB Cc1cccc(N2CCN(c3cc(C)cc4ncnn34)CC2)c1 32853477 UYNZQHNCPYGHJB-UHFFFAOYSA-N 307.401 2.673 0 40 DFAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccncc1 510119 MCTCQFUXJAORBF-UHFFFAOYSA-N 310.744 2.975 0 40 DFAB O=C(Cc1ccccc1)NCCC(=O)N[C@@H]1CCc2ccccc21 22282623 VFMIQDRSCCIQDH-GOSISDBHSA-N 322.408 2.539 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCCCN1CCCCCC1=O 22620192 SKXFOEYZKDIVDQ-UHFFFAOYSA-N 321.421 2.629 0 40 DFAB CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1 348378 KDLWRVXQNWMWCI-UHFFFAOYSA-N 308.337 2.871 0 40 DFAB COc1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1 1266821 YOVHYXRKRDSBAN-UHFFFAOYSA-N 323.356 2.785 0 40 DFAB CCCCNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719069 PORMYDSXICSFPO-UHFFFAOYSA-N 314.385 2.512 0 40 DFAB CCCNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2625499 QVLSPGOQDFOVCS-UHFFFAOYSA-N 316.430 2.763 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1 2632955 CQHYHUIAFLHTDZ-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCCC1 2770857 OFCBEBSMEUXKBA-UHFFFAOYSA-N 324.306 2.862 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1nc(C)cs1)c1ccccc1 3561976 RTCPQAHYYKPTLG-CYBMUJFWSA-N 303.387 2.658 0 40 DFAB COCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 4589546 HZQKCANXOWJXLE-UHFFFAOYSA-N 321.380 2.916 0 40 DFAB COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 4727957 KVLYOSSZGGGHPV-UHFFFAOYSA-N 301.367 2.889 0 40 DFAB Cc1ccc(-n2c(C)nnc2SCC(=O)NCC(C)C)cc1 4835874 FGQCQPWUVKVVMJ-UHFFFAOYSA-N 318.446 2.748 0 40 DFAB O=c1[nH]c2ccccc2nc1[C@H](c1ccccc1)[n+]1ccccc1 5219639 YGPRCVHNUFBKKF-IBGZPJMESA-O 314.368 2.848 0 40 DFAB Clc1ccc(C2=NN=C(NC[C@H]3CCCO3)SC2)cc1 6084829 HYHAOCKHNRLEOS-GFCCVEGCSA-N 309.822 2.916 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c(C)c1 7062228 BLPXWVWQHWWMNS-AWEZNQCLSA-N 304.415 2.870 0 40 DFAB COc1cc(CNC[C@@H](C)O)ccc1OCc1cccs1 8535084 YJOZMYMSBVXUTN-GFCCVEGCSA-N 307.415 2.806 0 40 DFAB CCCOc1cccc(C(=O)NC(=S)NCc2ccco2)c1 8566410 GLQTVNWJPLXTJG-UHFFFAOYSA-N 318.398 2.873 0 40 DFAB O=c1[nH]c2ccc(-c3csc(NC[C@H]4CCCO4)n3)cc2[nH]1 9050720 IOOMBUMGAOWTPQ-SNVBAGLBSA-N 316.386 2.571 0 40 DFAB O=C(Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1 9366237 JHCDVUGYVXDFBX-UHFFFAOYSA-N 323.371 2.929 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 9691358 LGTDGFFLDQINJH-UHFFFAOYSA-N 317.216 2.980 0 40 DFAB C[C@@H](Nc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2 10643220 ZUJOINZLOROHSB-LLVKDONJSA-N 309.329 2.564 0 40 DFAB O=C(NCc1ccccc1Cn1cccn1)c1cccnc1S 11742078 CREGMOBDFWEYDE-UHFFFAOYSA-N 324.409 2.545 0 40 DFAB O=C(NCc1ccccn1)c1nc(-c2cccc3[nH]ccc23)no1 12324152 CDIYOXDWFJDDLT-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB O=C(N[C@@H]1CCOc2ccccc21)c1cnc2ccccc2n1 12923130 TUEDLAWKJRWTQR-CYBMUJFWSA-N 305.337 2.883 0 40 DFAB Clc1nc2cc3c(cc2cc1CNC[C@H]1CCCO1)OCO3 13534792 GUFZXKFIOFJRKX-GFCCVEGCSA-N 320.776 2.886 0 40 DFAB COc1ccccc1COC(=O)c1ccc(Cn2cncn2)cc1 14148323 ZWFUNYQGDSHPCW-UHFFFAOYSA-N 323.352 2.692 0 40 DFAB O=C1OC(c2ccccc2)=N/C1=C\c1cnn(-c2ccccc2)n1 14196525 PHVMAYCDSDXRIP-WJDWOHSUSA-N 316.320 2.612 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)NCc1cccs1 14201462 PKTDHAMQMLCHOU-UHFFFAOYSA-N 303.383 2.818 0 40 DFAB COc1cc(CN[C@H](C)c2nnc3ccccn23)cc(OC)c1 15594172 FUKJZSSCGCQDSS-GFCCVEGCSA-N 312.373 2.597 0 40 DFAB Cc1ccc(NC(=O)/C=C2/CONC(c3ccccc3)=N2)cc1 16941404 ULDNEAZLCVNSAW-WJDWOHSUSA-N 307.353 2.799 0 40 DFAB C[C@@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccccn1 19655745 JRRXUYXIIFUKQC-CQSZACIVSA-N 306.369 2.823 0 40 DFAB NC(=O)c1cc(Cl)cc(Cl)c1I 20154669 KWHPPJKSGQDWED-UHFFFAOYSA-N 315.925 2.697 0 40 DFAB O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCCC1 21003976 VBMLRACSXJOGRB-UHFFFAOYSA-N 319.364 2.622 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C)O[C@@H](C)C1 22836181 SGENPKHSSITXFE-QWRGUYRKSA-N 317.414 2.763 0 40 DFAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccncc1 32744593 MYAIZROVUJKDHF-ZDUSSCGKSA-N 309.369 2.699 0 40 DFAB CCOc1ccc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1 34041614 KCFDBQJCUNNTHR-UHFFFAOYSA-N 318.394 2.914 0 40 DFAB O=C(NCc1cc(-c2ccco2)on1)c1cc(-c2ccco2)n[nH]1 38582167 IAHWHDHVJRQXIR-UHFFFAOYSA-N 324.296 2.848 0 40 DFAB Cc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)s1 40515591 PKLAQLCADRJITC-UHFFFAOYSA-N 300.383 2.748 0 40 DFAB O=C(Nc1cccc2c1CCCC2)N1CCC2(CC1)OCCO2 40526146 XCOBMAYENMRNEE-UHFFFAOYSA-N 316.401 2.936 0 40 DFAB CN(CCCC(=O)O)CC(=O)Nc1ccc(Cl)c(Cl)c1 42717241 QKKFXNVGFVDJOC-UHFFFAOYSA-N 319.188 2.729 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Cc2c(C)noc2C)c(OC)c1 44908987 YKWAIIAEGPZEES-SNVBAGLBSA-N 318.373 2.729 0 40 DFAB CC(C)CCNC(=O)Nc1ccccc1CN1CCOCC1 48146836 GAYAMUOTWIAHBW-UHFFFAOYSA-N 305.422 2.686 0 40 DFAB CC[C@H](NC(=O)NCCCn1cncn1)c1cccc(Cl)c1 48366166 WTAXUAFYYPHURI-AWEZNQCLSA-N 321.812 2.772 0 40 DFAB COc1cccc(-c2n[nH]cc2[C@@H]2NC(=O)c3ccccc3N2)c1 54423768 FYHYJRKNOGONHJ-KRWDZBQOSA-N 320.352 2.939 0 40 DFAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)C2CCN(C)CC2)c1 56057485 ZAACMTJGIRMCHB-CYBMUJFWSA-N 324.852 2.968 0 40 DFAB CCc1ccc(Nc2n[nH]nc2C(=O)n2nc(C)cc2C)cc1 57352074 YNJPLSMNWXUBOS-UHFFFAOYSA-N 310.361 2.613 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C2CC2)n[nH]1 58163160 MNOMBIZPEOWVPD-UHFFFAOYSA-N 323.356 2.734 0 40 DFAB O=c1c2ccc(F)cc2ncn1Cc1ccn(-c2ccccc2)n1 58202560 GSDZYDPGGPZQRK-UHFFFAOYSA-N 320.327 2.770 0 40 DFAB CC(C)(C)OC(=O)NCCNC(=O)c1c(F)cccc1Cl 58289700 AZULJWCBIOBFJP-UHFFFAOYSA-N 316.760 2.734 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC[C@H]1CN1CCCC1 58307812 JWQWLAAPLULHRP-KRWDZBQOSA-N 304.409 2.845 0 40 DFAB CC(C)c1n[nH]c(NC(=O)c2cc(-c3cccs3)on2)n1 58331802 PJVKZNKZKBOKDL-UHFFFAOYSA-N 303.347 2.897 0 40 DFAB CC(C)c1noc(CCCNC(=O)[C@]2(C)CC2(Cl)Cl)n1 58429750 XITJSLITJYURDK-LBPRGKRZSA-N 320.220 2.826 0 40 DFAB COC(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1 65476295 OFWKPTHBCJFSBE-CYBMUJFWSA-N 313.353 2.557 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(CC)C2)c1 65586661 FGUONFUKOUAEDC-OAHLLOKOSA-N 318.421 2.641 0 40 DFAB CCOc1cc(NC(=O)N2CCC(NC(C)=O)CC2)ccc1C 67345997 NSGHIPZRWFLPGJ-UHFFFAOYSA-N 319.405 2.526 0 40 DFAB CN(C(=O)CN1CCC[C@@H]1Cc1ccccc1Cl)C1CC1 67458017 AZXFCYLINSUKFZ-OAHLLOKOSA-N 306.837 2.968 0 40 DFAB C[C@@H]1CCC[C@H](N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1 69138112 WOFOXUPINVDISN-OLZOCXBDSA-N 314.451 2.540 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@H]1c1ccco1 69454532 GBFPLURLIYTAKR-NEPJUHHUSA-N 322.405 2.803 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 69485133 SXQKEMARSLNHQK-ZDUSSCGKSA-N 322.836 2.964 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@@H](n2ccnc2)C1 69840870 HUHVWPNZSZYCOO-CQSZACIVSA-N 306.369 2.909 0 40 DFAB O=C(O)c1c(Cl)nc(Br)n1-c1ccccc1 69949626 RHFXLKMLLMREDC-UHFFFAOYSA-N 301.527 2.986 0 40 DFAB Fc1cccc(CSc2nnnn2CC(F)(F)F)c1F 71185222 FRQMJORWLMBMLW-UHFFFAOYSA-N 310.251 2.806 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC[C@@H]1CCCO1 71870338 DPIFBOIQCDZCQF-LSDHHAIUSA-N 305.422 2.660 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cn2ccccc2n1 72234013 STPFORYHFBNWSL-HNNXBMFYSA-N 323.400 2.662 0 40 DFAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 72242523 NHCILXSUSKXXIK-QGZVFWFLSA-N 311.385 2.666 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C)[nH]c2=O)n1 72273850 NRIBKOPTNUOLIK-ZDUSSCGKSA-N 317.414 2.816 0 40 DFAB Cc1cccc(-c2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)c1 72367809 NQOFGFRJFNBCQJ-MRXNPFEDSA-N 309.413 2.722 0 40 DFAB O=C(C1CCCC1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 72378510 FDEVTHLVIMNQGS-OAHLLOKOSA-N 311.389 2.516 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)[nH]n1 75130213 QTRVNLWYPJAGHX-HNNXBMFYSA-N 315.421 2.690 0 40 DFAB O=C(NCc1cccnc1)N[C@H](c1ccccc1)[C@@H]1CCCO1 75582404 WXZRYARMOGXTAY-DLBZAZTESA-N 311.385 2.801 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 75771459 ARJFZENEVLYQHO-RHSMWYFYSA-N 309.413 2.535 0 40 DFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1C[C@H]1c1ccco1 76066904 ZRIYOUGLSHWBFR-VXGBXAGGSA-N 301.346 2.639 0 40 DFAB CC[C@H](NC(=O)Nc1cccn(C)c1=O)c1cc(F)ccc1F 76070809 SPAQAGBTQNKCAV-ZDUSSCGKSA-N 321.327 2.936 0 40 DFAB Cc1cccc(-n2ccnc2SCC(=O)N2CCCC2)c1 78803402 JTVFLJHNDKQJJR-UHFFFAOYSA-N 301.415 2.895 0 40 DFAB CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N 79415581 GXQYMQSOVDRBTG-JQHSSLGASA-N 317.477 2.672 0 40 DFAB CCN(CC)C(=O)CCC(=O)N1CCc2ccc(F)cc2[C@@H]1C 84765836 SJGGHPQPDRRBOU-ZDUSSCGKSA-N 320.408 2.920 0 40 DFAB O=C(c1csc(-c2ccoc2)n1)N1CCOc2ncccc21 89807761 HYVVEGGUUOGCCD-UHFFFAOYSA-N 313.338 2.837 0 40 DFAB CN(C)C[C@H]1CSCCCN1C(=O)c1cccc(Cl)c1 90699853 KSIUTYPTBAOLQP-AWEZNQCLSA-N 312.866 2.849 0 40 DFAB CC1(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CCCC1 95426153 GNJBRCCWHKEXIX-CJNGLKHVSA-N 312.479 2.921 0 40 DFAB CCO[C@H]1C[C@H](OC(=O)c2ccc3nnc(C)n3c2)C12CCC2 95966949 ILTQYRGTVHHONN-KBPBESRZSA-N 315.373 2.542 0 40 DFAB O=C(CCn1cccn1)Nc1nc(Cc2ccccc2)cs1 96010736 VGUHCBCKYBCKHW-UHFFFAOYSA-N 312.398 2.959 0 40 DFAB CN(C)c1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1Cl 96415951 YTACGDDELNMAPO-ZDUSSCGKSA-N 323.780 2.854 0 40 DFAB Cc1cc(C)cc(-n2nc(NC(=O)N[C@H](C)CCO)cc2C)c1 96495647 TYJUFGVRGREJAT-CYBMUJFWSA-N 316.405 2.690 0 40 DFAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 97002431 WQJGPVJSVMYJGG-INIZCTEOSA-N 318.461 2.818 0 40 DFAB COc1ccc(C(=O)/N=c2/[nH]cc(C)[nH]2)cc1OC1CCCC1 97108173 BNSOWGWHAOVLRP-UHFFFAOYSA-N 315.373 2.722 0 40 DFAB CN(CCN1CCOC1=O)Cc1ccc(Cl)c(Cl)c1 97110708 AYAKGQHIJMQOIH-UHFFFAOYSA-N 303.189 2.877 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCCn2cccc2)o1 97161822 CRSAYDGTPLNZRU-OAHLLOKOSA-N 317.389 2.774 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NC[C@]2(C)CCCO2)o1 97161826 DVDQJJJUFUDPRX-YOEHRIQHSA-N 322.405 2.842 0 40 DFAB Cc1cc(NC(=O)CNC(=O)c2ccoc2)c2cccnc2c1C 97162755 MSZLDJWDEGSDBB-UHFFFAOYSA-N 323.352 2.813 0 40 DFAB COc1ccc([C@@H](C)CN2CCc3ncnc(OC)c3C2)cc1 97230846 YCXAPHVMIVIFMP-ZDUSSCGKSA-N 313.401 2.656 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 100403706 VFIWTRLHZHTTNY-GIPNMCIBSA-N 315.822 2.816 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 102596895 XUKVLLMZTCYHIQ-XXHBBNRNSA-N 309.724 2.941 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cc(F)cc2cccnc12 103104778 ZSMGWEXOJQYOFK-GASCZTMLSA-N 310.328 2.825 0 40 DFAB CCOC(=O)[C@@H](CN)[C@@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635793 ZVWBFUVUIJMJET-SFUIVIKGSA-N 322.493 2.805 0 40 DFAB CC(C)(C)c1nsc(NCCc2nnc3ccccn23)n1 157801307 SVPQEJGLTDMRCH-UHFFFAOYSA-N 302.407 2.533 0 40 DFAB COc1ccnc(Cn2ccc(=O)c3sccc32)c1OC 191162036 HEXMUNJZXXGLIU-UHFFFAOYSA-N 302.355 2.524 0 40 DFAB Cc1ncsc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O 192046711 WFTROYVQWYWIIR-GUYCJALGSA-N 318.442 2.811 0 40 DFAB CCc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218520935 JFKFYIUGODNXAZ-OKZBNKHCSA-N 315.438 2.824 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CO)[C@@H]2c2ccc(F)cc2)cc1 218561424 SVXIUGWFYGUGTA-YESZJQIVSA-N 320.385 2.682 0 40 DFAB O=C(CC(F)(F)F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220759224 QHQVILHZXKLZRG-SECBINFHSA-N 317.311 2.681 0 40 DFAB O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247308643 FPHASSCBZNVDJZ-WIHIRCLASA-N 322.412 2.716 0 40 DFAB Cc1ccc(N2CC3(C[C@H](OCC4CCCC4)CCO3)C2)nn1 247876232 AAUCVPABDVVTEO-MRXNPFEDSA-N 317.433 2.730 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@@H](Cc4ccn[nH]4)C3)cc2[nH]1 257212350 CCZUSTHBQIGWGN-ZDUSSCGKSA-N 323.400 2.689 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(C)cn1C 257272726 NDODWKNMJNJQEP-CYBMUJFWSA-N 302.378 2.565 0 40 DFAB CN1C(=O)CC[C@@H]2N(C(=O)Cc3ccsc3)CCCC[C@@]21C 257306033 SSPRLOTVQXOEIA-YOEHRIQHSA-N 320.458 2.683 0 40 DFAB COc1c(C)cc(CN(C)C(=O)c2n[nH]c(C)c2C)cc1C 330823352 UYUGUQMWOPBAQD-UHFFFAOYSA-N 301.390 2.924 0 40 DFAB CC[C@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](CC)O1 333857982 PBOLIVALAYWMPX-BETUJISGSA-N 306.410 2.719 0 40 DFAB C[C@@]1(c2ccccc2)CCN(C(=O)CC2(C(=O)O)CCC2)C1 450529819 AXPYRPKRLHVSEC-QGZVFWFLSA-N 301.386 2.822 0 40 DFAB Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)ncn1 536232640 MCANCYRUVRDVPN-LBPRGKRZSA-N 317.776 2.732 0 40 DFAB Cc1cnccc1N1CCC(C(=O)N2CC(CC(F)F)C2)CC1 567043618 NQOAJISZJLSCQR-UHFFFAOYSA-N 323.387 2.720 0 40 DFAB CC1(C)CNCC[C@H]1NC(=O)c1cc(-c2ccccc2)ns1 573435625 FHFGRTIXCMHBKN-OAHLLOKOSA-N 315.442 2.928 0 40 DFAB CC(C)c1cc(CN2CC[C@@](O)(COc3ccccc3)C2)on1 585278357 RFUOZPIURGUOBD-SFHVURJKSA-N 316.401 2.814 0 40 DFAB O=C(O)CCc1c[nH]c2ccc(I)cc12 1857793155 VMKNVCLLLDURJN-UHFFFAOYSA-N 315.110 2.790 0 40 DFAB CSc1ccc(C(=O)N(C)C2CN(c3ccccn3)C2)cc1 1888863720 AGTZIKHEERSHCC-UHFFFAOYSA-N 313.426 2.764 0 40 DFAB COC[C@@](C)(CNC(=O)c1ccc(Cl)c(Cl)c1)OC 1888909500 JOVITAOFAOMZRM-CYBMUJFWSA-N 306.189 2.775 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1n[nH]c2ccccc12 47006616 YPTAPNOKVCNKNO-SWLSCSKDSA-N 301.390 2.888 0 40 DFAB CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccccc1 363872 KUXMPBKANFLYDP-SNVBAGLBSA-N 311.432 2.978 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)c(O)c1 8919323 GKJKNAHZMUOWQZ-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C(O)[C@@H]1CC12CCN(C(=O)CCCOc1ccccc1)CC2 78803085 KQFRWLZDVXRVKQ-HNNXBMFYSA-N 317.385 2.559 0 40 DFAB Cn1cnc2ncnc(Oc3ccc(Br)cc3)c21 1562365 BJACQJHXMYICDP-UHFFFAOYSA-N 305.135 2.918 0 40 DFAB CCCCOC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 1770664 IOOBFVDUHIFSQU-UHFFFAOYSA-N 309.318 2.608 0 40 DFAB CCCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 6679362 IYXPRXVHKGJMIE-UHFFFAOYSA-N 318.373 2.822 0 40 DFAB CC1(C)C[C@@H](NC(=O)c2cc(-c3cccs3)[nH]n2)CCO1 95476036 ZTPLQWPTHMNMNF-JTQLQIEISA-N 305.403 2.826 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccco2)c1 24958796 JMIBXZKKCYDVNI-KBPBESRZSA-N 314.385 2.892 0 40 DFAB CCN(C(=O)C1=NN(C)C(=O)CC1)c1ccc2ccccc2c1 50380603 XZBKELWTOXVFTG-UHFFFAOYSA-N 309.369 2.801 0 40 DFAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1O 8270942 MESOUGARVUTPAH-IUCAKERBSA-N 315.822 2.839 0 40 DFAB C[C@H](NC(=O)CCN[C@@H](C)[C@H](C)n1cccn1)c1ccccc1 106845658 ZINSKIZIAHCLGG-JYJNAYRXSA-N 314.433 2.690 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(N(C)C)cc1 3232848 NTEYCIOMWBKOTQ-KBPBESRZSA-N 318.417 2.699 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCn2c(nnc2-c2ccccc2)C1 107507155 GXNFFPJYIZQVCQ-BPUTZDHNSA-N 322.412 2.724 0 40 DFAB CC(=O)c1ccccc1OCCN1CCO[C@H]2CCCC[C@@H]21 48264807 JUUHISQANLUENJ-WMZOPIPTSA-N 303.402 2.911 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1cccc2c1OCCO2 55894205 MVUXTVQVGUREGU-CYBMUJFWSA-N 324.380 2.848 0 40 DFAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCOC1 58264829 WOGOXAXMWCKPPQ-SNVBAGLBSA-N 324.352 2.987 0 40 DFAB C[C@H]1CN(Cc2cccc(CNC(=O)C3CCCC3)c2)CCO1 58282457 ZEVDDCWXKKZHLJ-HNNXBMFYSA-N 316.445 2.714 0 40 DFAB COc1cccc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)c1 3329863 IWLIWZPLKOVGDC-CYBMUJFWSA-N 319.401 2.937 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N(C[C@H]1CCOC1)C1CC1 44941433 VEBFDGLHAUPPQC-GDBMZVCRSA-N 303.402 2.619 0 40 DFAB CCN(c1ccc(C(=O)NCCCn2ccnc2)cc1)C(C)C 58309060 QZYBUCLYFQZFIE-UHFFFAOYSA-N 314.433 2.938 0 40 DFAB CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccsc3)nc2c1 48303084 QUAMJGMEXNRBSI-UHFFFAOYSA-N 307.400 2.542 0 40 DFAB CCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC 36697385 PJWLPJBLOCONFH-MRXNPFEDSA-N 316.401 2.949 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)c1 20372497 GHQVKFJASNGLOV-KRWDZBQOSA-N 322.408 2.707 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)NC[C@H](C)N(C)c1ccccc1 46951452 NHVLRLSDTSXAGF-RYUDHWBXSA-N 318.339 2.595 0 40 DFAB CCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3519274 PTAGQSKXAWUDCQ-UHFFFAOYSA-N 316.386 2.836 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1 12999597 PJADYODIJJTXEP-LLVKDONJSA-N 319.386 2.535 0 40 DFAB CCOc1ccc(CC(=O)NCc2ccc(C(=O)O)cc2)cc1 13092159 PGKHNKIOLGQRAX-UHFFFAOYSA-N 313.353 2.642 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 62913436 QPBWINAJKVQDKK-CQSZACIVSA-N 316.184 2.859 0 40 DFAB Clc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2 4327411 FZQYLHARHNRWSR-UHFFFAOYSA-N 318.764 2.684 0 40 DFAB Cc1ncc(C(=O)NCc2ccccc2N2CCCC2)s1 65474940 NKERZSIMMCXNDZ-UHFFFAOYSA-N 301.415 2.982 0 40 DFAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(N)=O 14022420 ZAXJOJCBIIFIFK-MRXNPFEDSA-N 312.369 2.890 0 40 DFAB Cc1ccc(CNC(=O)Nc2ccc(N3CCCC3)nc2)n1C 65577974 WQBACIHFYRNFJC-UHFFFAOYSA-N 313.405 2.650 0 40 DFAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(Cl)n1 97379392 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Cc1nnc2n1CCN(C(=O)[C@@H]1CCC(C)(C)c3ccccc31)C2 69484831 VMJLLOZMZVNPPZ-OAHLLOKOSA-N 324.428 2.784 0 40 DFAB O=C(c1cn2cccnc2n1)N(Cc1ccco1)CC(F)(F)F 69485338 HVSWRTPUTDLMOC-UHFFFAOYSA-N 324.262 2.527 0 40 DFAB CCc1cc2c(=O)n(NC(=O)c3sccc3C)cnc2s1 17244107 XYKHYLBPPNIJIR-UHFFFAOYSA-N 319.411 2.774 0 40 DFAB Cn1cc([C@]2(C)CN(C/C=C/c3ccc(F)cc3)CCO2)cn1 92016917 ALYOQPSQEQSGTN-WHLIDYPQSA-N 315.392 2.820 0 40 DFAB CNC(=O)c1cccnc1NCCc1coc(-c2ccccc2)n1 95403144 MQCOIYBXNHUSET-UHFFFAOYSA-N 322.368 2.751 0 40 DFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cn1 8704365 DNPCHXIMZZWUBB-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccnn1C 97055429 OIQGXGDYIRPCBO-SNVBAGLBSA-N 311.307 2.800 0 40 DFAB Cc1ccc(NC(=O)N2CCN(Cc3nccs3)CC2)cc1 97081876 RSECWNMIGLORSQ-UHFFFAOYSA-N 316.430 2.801 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccccc1N 119034537 IVAXZQQAVDVEBE-GOSISDBHSA-N 323.396 2.743 0 40 DFAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc(C)c(C)o1 72268592 MQGMMQFMMHNLIB-LSDHHAIUSA-N 305.422 2.657 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 72296949 UWQPNXJQHDLPGJ-BFHYXJOUSA-N 310.438 2.986 0 40 DFAB Cc1nnc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)s1 95984691 ZISCBEXAPMXECS-NSHDSACASA-N 316.430 2.824 0 40 DFAB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CCCOC1 89361180 MGBINOMQAWVKQW-LBPRGKRZSA-N 317.307 2.970 0 40 DFAB COc1ccc(NC(=O)NCCCOCC(C)C)c(OC)c1 9914274 HKVHOMRPKMHVJU-UHFFFAOYSA-N 310.394 2.888 0 40 DFAB Cn1cc(-c2cccc(NC(=O)Cc3cccc(F)c3)n2)cn1 75091912 SSACBOQZRMRQLE-UHFFFAOYSA-N 310.332 2.802 0 40 DFAB CCOc1ccc2c(c1)CN(Cc1cc(=O)c(OC)co1)CC2 75109803 DSPSYSATUNSERE-UHFFFAOYSA-N 315.369 2.605 0 40 DFAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 75146863 OCNFEPYVLWBURL-QWHCGFSZSA-N 324.446 2.988 0 40 DFAB Cc1ccn2cc(CNC(=O)Nc3ccc(F)cc3F)nc2n1 89700951 AWVMRDLPKAJEIP-UHFFFAOYSA-N 317.299 2.638 0 40 DFAB CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89885215 SNARSVXDRBKENP-QZTJIDSGSA-N 324.424 2.974 0 40 DFAB NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 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CCOC(=O)C(F)(F)[S@](=O)c1nc2ccccc2s1 217577264 MWVYFRDFZDSGGR-LJQANCHMSA-N 305.327 2.560 0 40 DFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCC1CCCCC1 224077833 PDIQMNCCOUKJHK-UHFFFAOYSA-N 324.446 2.677 0 40 DFAB CCN(CCCN1CCCC1)C(=O)N[C@H]1COc2ccccc21 190146464 GLTDLMYVHJKTIR-INIZCTEOSA-N 317.433 2.638 0 40 DFAB COC(=O)c1cccc(NC(=S)NCc2ccco2)c1C 44663066 YQKPPLJEALBUBO-UHFFFAOYSA-N 304.371 2.861 0 40 DFAB Clc1ccc2c(N3CCC[C@H](n4cncn4)C3)ncnc2c1 69772539 QHWINVAXKJFDTI-LBPRGKRZSA-N 314.780 2.716 0 40 DFAB C[C@@]1(C(=O)NCc2ccccc2)Sc2ccccc2NC1=O 40773717 CSCMDIGYKGGDJR-KRWDZBQOSA-N 312.394 2.806 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccc(C)cc3C)nc2s1 21698221 AJWXFNINPPSCFX-UHFFFAOYSA-N 314.414 2.942 0 40 DFAB CCc1oc(C(=O)Nc2cncnc2N2CCCC2)cc1C 97376778 OIWXZTGOZHOSIW-UHFFFAOYSA-N 300.362 2.793 0 40 DFAB c1ccc(N[C@@H]2COC3(CCN(c4cccnc4)CC3)C2)nc1 96074249 SEOBSASVCNWZGN-HNNXBMFYSA-N 310.401 2.717 0 40 DFAB CC(C)CN1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159685 PUBNLUSLOVAMEE-SFHVURJKSA-N 304.409 2.906 0 40 DFAB CC[C@@H](NC(=O)COc1cc(C)on1)c1cc(F)ccc1F 96419022 XKGPKFGVZUONFO-CYBMUJFWSA-N 310.300 2.908 0 40 DFAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1cc2ccccc2[nH]1 96450723 FQVZKTQIIUGYRQ-GDBMZVCRSA-N 304.415 2.544 0 40 DFAB COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cc(C)on1 96439460 HYHKVFBPNHRWMD-LBPRGKRZSA-N 317.389 2.764 0 40 DFAB CC(C)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 98092192 LEEYEPQZFFVRRW-OAHLLOKOSA-N 322.405 2.534 0 40 DFAB COC(=O)[C@@H](Sc1nncn1C1CC1)c1ccccc1C 97096257 FMNFNIMHANNBIR-ZDUSSCGKSA-N 303.387 2.928 0 40 DFAB O=C(Cc1ccccc1O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 96469206 OBBVVIILJCWKNB-GDBMZVCRSA-N 315.369 2.642 0 40 DFAB O=C(/C=C/c1ccccc1Cl)N[C@@H]1CCn2nccc2C1 253473003 QXYMADYKTKCRKD-URWSZGRFSA-N 301.777 2.681 0 40 DFAB Fc1ccc(OCCN2CCC[C@H](c3cnccn3)C2)cc1 257299666 RRABZKMRGWKEAX-AWEZNQCLSA-N 301.365 2.874 0 40 DFAB CN(C)c1cc([C@H]2CCCN(Cc3cscn3)C2)ccn1 257343051 ZRGRQXPLJCRKPZ-AWEZNQCLSA-N 302.447 2.984 0 40 DFAB C[C@]1(O)CN(Cc2cncs2)CC[C@@H]1Oc1ccccc1 257326030 WVMNADRLYNDCDO-HOTGVXAUSA-N 304.415 2.547 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257290523 QDHMJSCEKRHNSP-BBRMVZONSA-N 307.463 2.931 0 40 DFAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1Cl 152749672 GWJFHPGVNIRBPK-LBPRGKRZSA-N 319.767 2.883 0 40 DFAB OC1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 48686473 GKWWNIAVKQWLBA-UHFFFAOYSA-N 305.809 2.919 0 40 DFAB Cc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)c(C)c1 55373214 QEKRSPSFYDZALU-UHFFFAOYSA-N 318.442 2.965 0 40 DFAB Cc1ccc(NC(=O)N2CCC(C(=O)NC3CC3)CC2)cc1F 56542966 RUDXIZYSKHXDHN-UHFFFAOYSA-N 319.380 2.657 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)NCc3ccncc3)o2)cc1 41208046 MZHDQZACLVOQTE-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB COC(=O)c1ncccc1OCc1nc(C(F)(F)F)cs1 89401327 UYTRNHIDSKSRST-UHFFFAOYSA-N 318.276 2.923 0 40 DFAB COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC13CCOCC3)C2 548793246 VLJDRXCKVSJEHV-RHSMWYFYSA-N 303.402 2.548 0 40 DFAB CSC[C@](C)(O)CNC(=O)Cc1ccc(Cl)c(Cl)c1 96414693 PQDJALNAUFWXEP-CYBMUJFWSA-N 322.257 2.766 0 40 DFAB O=C(O)Cc1cc(Br)cc(Br)c1F 2506858 GZOODBCAUYABJK-UHFFFAOYSA-N 311.932 2.978 0 40 DFAB O=C(O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1 5580842 OKSQJELDNCXGIX-UHFFFAOYSA-N 316.338 2.892 0 40 DFAB COc1cccc2c1cc(C(=O)NCCCc1ccccn1)n2C 12148576 SUTUQKJTTIUTEM-UHFFFAOYSA-N 323.396 2.945 0 40 DFAB Cc1cccc(S(=O)(=O)c2nnn(-c3ccccc3)c2C)c1 19810723 ZCSAATBPXCENHL-UHFFFAOYSA-N 313.382 2.717 0 40 DFAB Cc1cnc2cc(C3CCN(Cc4cnn(C)c4C)CC3)[nH]c2n1 19239399 AMOXFQNTLBRUAL-UHFFFAOYSA-N 324.432 2.688 0 40 DFAB Clc1ccc2ncc(-c3cccc(N[C@H]4CCNC4)n3)n2c1 29045838 NAMQQRIYZTTYCJ-LBPRGKRZSA-N 313.792 2.824 0 40 DFAB in-vitro CNc1nccnc1[C@@H]1CN(Cc2ccc3cc[nH]c3c2)CCO1 1848353841 XDWRWIRQOCDUTE-INIZCTEOSA-N 323.400 2.573 0 40 DFAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 5226986 IAXMPCXWCRHFMZ-CYBMUJFWSA-N 309.369 2.699 0 40 DFAB Cc1cccn2c3c(c(=O)nc12)[C@@H](c1cccs1)CC(=O)N3 1432938 IKCPIEJADUTMOB-SNVBAGLBSA-N 311.366 2.539 0 40 DFAB O=C(NCc1nccnc1-c1ccsc1)c1ccncc1F 575618461 HZFKTSCAUAYGFT-UHFFFAOYSA-N 314.345 2.669 0 40 DFAB Cc1oncc1CNS(=O)(=O)c1cccc2ccccc12 575609045 NKAVBZHXCPWIOE-UHFFFAOYSA-N 302.355 2.615 0 40 DFAB CC(C)(C)c1ccc(OCC(=O)NC[C@@]2(O)C=CCCC2)cc1 618257294 UMRMQQKURMSKON-LJQANCHMSA-N 317.429 2.950 0 40 DFAB C[C@H](c1nc(-c2cccs2)no1)N(C)CC(=O)NC(C)(C)C 40071615 BNOCGJSEYVVMIV-SNVBAGLBSA-N 322.434 2.706 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccncc1)c1cccs1 32879714 NZDBPNCGRGPGNT-SMDDNHRTSA-N 317.414 2.588 0 40 DFAB C[C@H](CNC(=O)/C=C/c1cccnc1)N1CCc2ccccc21 33057429 GBGCNKLJLUMGFB-XVJNWHFHSA-N 307.397 2.662 0 40 DFAB O=C(CCNC(=O)C1CCCC1)NC1(c2ccccc2)CCC1 41787788 GIQBVRASSZSZFO-UHFFFAOYSA-N 314.429 2.879 0 40 DFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)C1CC1 41810545 VSUQYCBWTKOELY-KRWDZBQOSA-N 310.353 2.964 0 40 DFAB COc1ccccc1CN(CCO)C(=O)Nc1ccccc1 47321061 GMDLLOIQKKMURK-UHFFFAOYSA-N 300.358 2.722 0 40 DFAB CC(C)Cc1ccc(CC(=O)N2CCN(CC(F)F)CC2)cc1 61601325 LQCIJSHZEYVOEN-UHFFFAOYSA-N 324.415 2.837 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(C(=O)OC)ccc1F 78729388 LJGDSDBYWSKDGG-LBPRGKRZSA-N 324.352 2.645 0 40 DFAB Cc1cc(C)c(NC(=O)N[C@@H](C)c2cnn(C)c2)c(Cl)n1 78988630 GMTPCWZIIVNVLP-JTQLQIEISA-N 307.785 2.968 0 40 DFAB CC(C)(C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 1470965 VFGKTBYBRGKIAG-UHFFFAOYSA-N 304.268 2.772 0 40 DFAB N[C@@H](C(=O)O)[C@H](SCc1ccccc1)c1cccc(O)c1 1708270 LDBOLKFNTXQYTN-HUUCEWRRSA-N 303.383 2.779 0 40 DFAB C[C@@H](NCc1cccc2c1OCO2)c1nnc2n1CCCCC2 42800881 JNJSDMPMVBMOGE-GFCCVEGCSA-N 314.389 2.584 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1OC(F)F 54819751 QLDKXGAFAQJNHS-UHFFFAOYSA-N 309.316 2.568 0 40 DFAB Nc1nc(N2CCOCC2)sc1Cc1ccc(Cl)cc1 103700497 WOALYCAADBROGG-UHFFFAOYSA-N 309.822 2.806 0 40 DFAB CC(=O)NCCCCCC(=O)Nc1cc(NC(C)=O)ccc1C 55362165 HUMWBTNQVAFJSX-UHFFFAOYSA-N 319.405 2.588 0 40 DFAB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccco2)NC3=O)cc1 1404784 SNWYITRUGCYUCH-OAHLLOKOSA-N 309.325 2.901 0 40 DFAB O=C(NC(=S)N(Cc1ccccc1)c1ccccn1)C1CC1 12659164 BATPITAWPLUECH-UHFFFAOYSA-N 311.410 2.899 0 40 DFAB c1ccc2oc(NCc3ccnc(N4CCOCC4)c3)nc2c1 26717620 DLHMYQUVNPJYCC-UHFFFAOYSA-N 310.357 2.672 0 40 DFAB Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9170346 PBXHYPIQIQTNCQ-UHFFFAOYSA-N 310.353 2.712 0 40 DFAB Cc1noc(-c2ccc(C(=O)NOCc3ccccc3)cc2)n1 44906847 ALWOEPRLASZBTQ-UHFFFAOYSA-N 309.325 2.907 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1 3377164 FWTIKIGHEFZTNC-UHFFFAOYSA-N 303.358 2.951 0 40 DFAB O=C(OCCO)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 58669548 ODZZCPVYONHBOT-QGZVFWFLSA-N 310.353 2.530 0 40 DFAB Nc1ccc(F)c(NC(=O)c2cncc(Br)c2)c1 20480819 RCECEGNSPJOVSX-UHFFFAOYSA-N 310.126 2.818 0 40 DFAB COC(=O)C[C@H](NC(=O)Cc1cccs1)c1ccccc1 45536984 SQMKKYQPNVSEHG-AWEZNQCLSA-N 303.383 2.711 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 3510816 VNOBZXCLDPPHSK-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)CCc3ccco3)cc2NC1=O 12947309 OKFILIDJVWJASU-SNVBAGLBSA-N 300.314 2.570 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccccc1)C2=O 13061735 RUXBWDRZDPQUSY-KSSFIOAISA-N 315.417 2.577 0 40 DFAB Cc1ccc2c(COC(=O)c3cnn(C)c3C)cc(=O)oc2c1 13297240 PJVAMDHUBPLKHB-UHFFFAOYSA-N 312.325 2.500 0 40 DFAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccsc3)CC2)s1 49413224 YEWIVJXJXKTKSX-UHFFFAOYSA-N 321.471 2.779 0 40 DFAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnccn1 64828247 NOXYTEYFBQMYRL-UHFFFAOYSA-N 324.262 2.706 0 40 DFAB Cc1cccc(-c2nn(CN3CCO[C@H](C)C3)c(=S)n2C)c1 14139786 PQSGIQPFLXIDOT-CYBMUJFWSA-N 318.446 2.605 0 40 DFAB C[C@H](Sc1nncs1)C(=O)NC[C@@H](C)c1ccccc1 14111450 RBKMVCCVYKJBNO-MNOVXSKESA-N 307.444 2.939 0 40 DFAB c1cc(-c2cc(-c3nc4c5c(ncn4n3)CCC5)n[nH]2)cs1 6447030 PHORIZCJKHSORY-UHFFFAOYSA-N 308.370 2.732 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 4685748 ZWQFPOZFWKRNRG-PMPSAXMXSA-N 314.404 2.796 0 40 DFAB CC(=O)c1c[nH]c(C(=O)OCc2cn3cc(Cl)ccc3n2)c1 7179657 VZVMXTFKJVNNDO-UHFFFAOYSA-N 317.732 2.875 0 40 DFAB C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)c1ccc(F)cc1 7429989 ACLRPCKBIWLXOY-LLVKDONJSA-N 302.301 2.746 0 40 DFAB C[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc(N2CCCC2=O)cc1 90454020 RFDQCSOCODVMRC-CZUORRHYSA-N 324.428 2.745 0 40 DFAB NC(=O)[C@@H](CNc1ccc(Cl)cn1)Cc1ccc(F)cc1 91481248 YUDNGEIDDUEJHW-LLVKDONJSA-N 307.756 2.630 0 40 DFAB C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(F)cc1F 95441911 MGUBZYPGQFTAKL-ZYHUDNBSSA-N 314.401 2.579 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)c1nccc2ccccc12 69416947 NJIYOBPLQHVTIW-UHFFFAOYSA-N 312.369 2.650 0 40 DFAB O=C(c1ccccc1-n1cccn1)N1CCC[C@H](n2cccn2)C1 69489364 KQDPPFJJAXXCAF-HNNXBMFYSA-N 321.384 2.546 0 40 DFAB O=C(Nc1ccccc1Cl)c1c(O)c2c([nH]c1=O)CCCC2 17160724 IYZUOBXBLXOOBC-UHFFFAOYSA-N 318.760 2.865 0 40 DFAB Cc1ccc(C[C@H](C)NC(=O)CCN2CCSC2=O)c(C)c1 71888937 ZFYWFGOTOUZHHT-AWEZNQCLSA-N 320.458 2.910 0 40 DFAB CCc1oc2ccccc2c1CNC[C@H]1CCc2nncn2C1 71877312 CWNJCIDTSXDFMR-CYBMUJFWSA-N 310.401 2.939 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12 69947443 BELNUAOCJBCTTA-MSOLQXFVSA-N 323.440 2.863 0 40 DFAB C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1cccs1 95414565 YQOJLNMRUDKEMV-SNVBAGLBSA-N 310.419 2.983 0 40 DFAB Cc1cccc2c(N3CCC[C@H](NC(=O)C(C)C)C3)ncnc12 95426185 DVSLRESHVONAGJ-AWEZNQCLSA-N 312.417 2.679 0 40 DFAB Cc1ccc(CN2CC([C@@H](C)C(=O)O)C2)cc1Br 97902279 XBLBPPKWEOGKNE-SNVBAGLBSA-N 312.207 2.910 0 40 DFAB O=C(Nc1ncccc1O)C1(c2ccc(F)cc2)CCOCC1 97085035 QYGWIDVBACHEMR-UHFFFAOYSA-N 316.332 2.613 0 40 DFAB O=S(=O)(Nc1cccnc1)c1ccc(F)c2ncccc12 72275914 ZHYFJAKZFKFWNQ-UHFFFAOYSA-N 303.318 2.570 0 40 DFAB COCc1nc(C(=O)OCCN(C)c2ccccc2)cs1 72309993 KKRZSJTXVYBUEJ-UHFFFAOYSA-N 306.387 2.583 0 40 DFAB CCOC(=O)C[C@@H](c1c(O)c2ccccc2[nH]c1=O)C(C)C 72325956 OBYKODXIEBJZRP-GFCCVEGCSA-N 303.358 2.927 0 40 DFAB biogenic CC(C)CS(=O)(=O)Nc1ccc(Br)cc1O 72304024 ROBGVHYINPFZJV-UHFFFAOYSA-N 308.197 2.552 0 40 DFAB COc1cccc(-c2cc(NC(=O)c3ncoc3C)n(C)n2)c1 95977604 ZVOBBKVBRBCGER-UHFFFAOYSA-N 312.329 2.644 0 40 DFAB CC(=O)N1CSC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 95959369 WYCXQLFVOFCQQD-LLVKDONJSA-N 309.778 2.984 0 40 DFAB O=C(NC[C@H](O)c1ccco1)[C@@H]1CCCC[C@@H]1C(F)(F)F 89794420 MYZLBOZEQOELMY-VWYCJHECSA-N 305.296 2.798 0 40 DFAB O=C1CCCN1CC[C@H]1CN(Cc2ccon2)c2ccccc21 89857817 XJMXQOCQARADNX-AWEZNQCLSA-N 311.385 2.791 0 40 DFAB O=C(Cc1ccon1)NCCCOc1ccc2ccccc2c1 89878778 YREZJVSYZRCLTN-UHFFFAOYSA-N 310.353 2.956 0 40 DFAB O=C(O)[C@H]1CS[C@@H](c2ccc(Sc3ccccn3)o2)N1 408987770 BZJQLDAQLSTION-PELKAZGASA-N 308.384 2.614 0 40 DFAB O=C(Nc1cc2ccccn2n1)N1CC[C@@H](c2ccccc2F)C1 554439888 YPRXEIRATSDIEQ-CYBMUJFWSA-N 324.359 3.495 0 40 DFAB O=C(c1ccncc1)N1CCn2c(-c3ccsc3)cnc2C1 306124953 CDDRITHNCVKEQS-UHFFFAOYSA-N 310.382 2.663 0 40 DFAB Cc1cc(C(=O)NC2CCCCC2)nc(C2CCN(C)CC2)n1 72365888 VHISNRLKMGEPBT-UHFFFAOYSA-N 316.449 2.657 0 40 DFAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)NC(=O)N1 3844182 LLSJWXAWACNRQA-OAHLLOKOSA-N 312.325 2.651 0 40 DFAB biogenic O=C(Cn1cncn1)N(Cc1ccccc1Cl)C1CCCC1 69776479 FFTRUNDNXWFRJS-UHFFFAOYSA-N 318.808 2.903 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 409303266 HUCRLBQAOQGZDU-YXMPFFBPSA-N 323.270 2.538 0 40 DFAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3C(C)C)n2)c1 72322101 XWIWQOZMGPJHFF-INIZCTEOSA-N 301.390 2.867 0 40 DFAB biogenic,in-vitro O=C(NC[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccco1 72324232 MEIFTUJOMYMMNX-GFCCVEGCSA-N 318.398 2.623 0 40 DFAB CCCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1 33451447 HFUWYERFAOQTTG-OJXHRBAXSA-N 305.374 2.714 0 40 DFAB CCS[C@@H]1CCCC[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O 189487166 JFPGAIFIPBSPRP-IJLUTSLNSA-N 324.412 2.804 0 40 DFAB COc1cc(C(=O)N2CCCC2)cc(Br)c1OC 33598045 JAVPRHJQAQLCTA-UHFFFAOYSA-N 314.179 2.702 0 40 DFAB Cn1nccc1[C@H]1CCC[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 560026860 VGSWDIZGQAUJPP-QGWWYQLQSA-N 311.429 2.694 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)Nc1cccs1 38630632 LLOHZPLIOMSVGG-LBPRGKRZSA-N 321.402 2.536 0 40 DFAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)O[C@@H](C)C1 35075012 XSNOOYTZFDPXTQ-JYJNAYRXSA-N 307.434 2.659 0 40 DFAB Cc1cccc(CNC(=O)CSCc2nc(C3CC3)no2)c1 78923964 RNMORJBIJSOBBY-UHFFFAOYSA-N 317.414 2.805 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cccn2)nn1 70641179 SITBEWVQRVPADV-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB COc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1 77197438 SEFFKGHHOVASNL-UHFFFAOYSA-N 312.373 2.728 0 40 DFAB O=C(NCC1CCC2(CC1)OCCO2)NC[C@@H]1CC=CCC1 192336682 HFIKJUYASRFEKQ-CQSZACIVSA-N 308.422 2.575 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@H]1CCC[C@H]1CCO 194323566 HLDQOKWHDNMAET-YOEHRIQHSA-N 313.401 2.585 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1 75170284 ZRENEWMEKRAJHO-FLVLSHQESA-N 323.458 2.826 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C 224085901 PETBZJWUKVKHLO-GFCCVEGCSA-N 308.397 2.868 0 40 DFAB O=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCN(C2CCCC2)C1 195562977 FXQLYRRZWDPWTK-NVXWUHKLSA-N 323.481 2.652 0 40 DFAB CN(C)c1ccnc(CNC(=O)c2ccc3ccccc3c2)n1 224192918 YXQPHPLANIPSJS-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB CN1C(=O)[C@](C)(C(=O)NC2CCCC2)Sc2ccccc21 40774465 AGPVHOQLAHSKIP-INIZCTEOSA-N 304.415 2.573 0 40 DFAB COC(=O)C[C@H](NC(=O)Nc1cc(Cl)ccc1F)C1CC1 86281055 YNKXFPXCXSPBFT-NSHDSACASA-N 314.744 2.942 0 40 DFAB O=C(CNCC(F)(F)F)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 96423883 HMHVWNLEBQPIQO-QWHCGFSZSA-N 318.314 2.730 0 40 DFAB COc1ccccc1C[C@H](NC(=O)[C@H]1CCCOC1)C(C)C 96448305 BTCPISIWGOTVQW-HOTGVXAUSA-N 305.418 2.805 0 40 DFAB Cc1cnc(C(=O)N2CCC3(CC2)CC(OCC2CC2)C3)cn1 96227829 NTVYSVMNOPULGA-UHFFFAOYSA-N 315.417 2.596 0 40 DFAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)o1 96502104 OAPUZKYNNAVLRX-KBPBESRZSA-N 322.405 2.834 0 40 DFAB Cc1occc1CNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 96436206 DNYXESCFZDMUQO-GXTWGEPZSA-N 322.405 2.898 0 40 DFAB Cc1ccc(Cl)c(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 97230901 QYPRHPAPQIQFTM-MNOVXSKESA-N 309.797 2.766 0 40 DFAB C[C@@H](CCNS(=O)(=O)CC1CCOCC1)c1ccccc1 96427867 UOBCXXXICXNDKJ-AWEZNQCLSA-N 311.447 2.526 0 40 DFAB Cc1nc([C@H](C)NC(=O)NCc2nccn2CC(C)C)cs1 96440011 YVRHQFKYHCOWGA-NSHDSACASA-N 321.450 2.864 0 40 DFAB O=C(C[C@H]1C=CCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 247839281 DYXAHYPDQBTNSB-MBGYTDRXSA-N 305.418 2.528 0 40 DFAB CCOCC(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257332932 XZJLDNLRXKRPIB-MAZHCROVSA-N 323.820 2.992 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H]2c2ccnc(C)n2)cc1F 257333515 YBWSSJNWCYKGOA-HNNXBMFYSA-N 315.348 2.910 0 40 DFAB Cn1cc(SCCCC(=O)N2CCc3ccccc32)cn1 257173607 SCERYRVFKUNFQP-UHFFFAOYSA-N 301.415 2.882 0 40 DFAB CNc1ncccc1CN1CCN(C(C)=O)[C@H](c2ccccc2)C1 257242689 IDSGQUVAOGCUQD-SFHVURJKSA-N 324.428 2.529 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc(C)cn2C)C1 257332551 XXUREHUOUXSGIA-CYBMUJFWSA-N 316.405 2.607 0 40 DFAB CCCn1cc(Cl)c(C(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)n1 257210826 BWIMJUFPDANIKN-NSHDSACASA-N 321.812 2.608 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2csc(C)n2)C1 257218394 DCZBTMWMPXFVEC-ZDUSSCGKSA-N 317.462 2.738 0 40 DFAB CCOc1ccc(CN2CCC[C@H]2c2ccncn2)cc1CO 257324259 WNWXOYSZSAHGSI-KRWDZBQOSA-N 313.401 2.705 0 40 DFAB CC(C)[C@H]1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)c2ccccc21 280718547 UHKVDCYYRVEDTL-APHBMKBZSA-N 323.458 2.668 0 40 DFAB O=C(NCc1nccnc1-c1ccsc1)c1cscn1 575619016 LCYKBUPYYBXXAT-UHFFFAOYSA-N 302.384 2.592 0 40 DFAB CC(C)OC(=O)NC1CC2(CCN(Cc3ccccn3)CC2)C1 585102936 JPITWQPWGCNJBR-UHFFFAOYSA-N 317.433 2.961 0 40 DFAB COC(=O)c1cccc(C(=O)N2CCN(C)Cc3ccccc32)c1 69491142 VWXUKXHKSANXNA-UHFFFAOYSA-N 324.380 2.565 0 40 DFAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cscn3)C2)ccn1 1776000968 ROYIRWBJZDPHRB-ZDUSSCGKSA-N 317.414 2.778 0 40 DFAB C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCCCC2 54536931 DJCKJRZBIRKHHY-JTQLQIEISA-N 320.343 2.774 0 40 DFAB CCN(CC)c1ccc(NC(=O)c2cnn3cccnc23)cc1 56019590 YUNNUHAQEXSIAD-UHFFFAOYSA-N 309.373 2.828 0 40 DFAB CCc1noc([C@H](C)N2CCC[C@H](c3nncn3C(C)C)C2)n1 89290033 QMKLZSAAWKJBLG-STQMWFEESA-N 318.425 2.745 0 40 DFAB COc1ccc2c(c1)OC[C@@H](N[C@H]1CCC13CCOCC3)C2 548793248 VLJDRXCKVSJEHV-YOEHRIQHSA-N 303.402 2.548 0 40 DFAB O[C@H](CNc1ncnc2ccsc12)c1ccc2c(c1)CCO2 1775972548 KGGUTEKLGLWXKZ-CYBMUJFWSA-N 313.382 2.772 0 40 DFAB Cn1cccc1[C@H](CNC(=O)c1cccc(F)c1)N1CCCC1 11845613 XZKHJBBVBWUAMK-KRWDZBQOSA-N 315.392 2.731 0 40 DFAB O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(C2CCCCC2)C1 15674197 KWNKSMZXSROXLY-HIFRSBDPSA-N 314.389 2.572 0 40 DFAB biogenic,in-vitro COc1ccc(C(F)(F)C(=O)OCC2CCOCC2)cc1 161537782 QBDPKVUIAYPQKQ-UHFFFAOYSA-N 300.301 2.757 0 40 DFAB CO[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccco1 206864339 YPBGUVKAKBEYLY-SECBINFHSA-N 321.807 2.661 0 40 DFAB CN(C)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 202483754 SYVIMPVLGDDHRK-UHFFFAOYSA-N 304.390 2.682 0 40 DFAB CC(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1 12215968 BWPGCTXHRCZXCU-UHFFFAOYSA-N 300.383 2.905 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)Oc2ccccc2Cl)cc1 14465438 ZVJDRJVKRQNLPU-UHFFFAOYSA-N 310.758 2.963 0 40 DFAB O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccncc1 38583228 TXTGAIDTYPZOKO-UHFFFAOYSA-N 309.413 2.724 0 40 DFAB CO[C@@H](CNC(=O)c1cc(C)on1)c1cc2ccccc2o1 244909656 APGIQBSFWYBBMQ-HNNXBMFYSA-N 300.314 2.847 0 40 DFAB CCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1 50081010 SERDRLWKVJYRAH-HNNXBMFYSA-N 322.474 2.845 0 40 DFAB COc1ccc(/C=C2\N=C(c3ccccc3)NC2=O)c(OC)c1 1440975 TXTNTWDLHLGLNF-GDNBJRDFSA-N 308.337 2.621 0 40 DFAB COc1ccc(C)c2s/c(=N/C(=O)c3cc(C)no3)n(C)c12 101315339 WEQALDUZUTVROX-FOCLMDBBSA-N 317.370 2.594 0 40 DFAB Cc1cc(C(=O)CCC(=O)Nc2c[nH]ccc2=O)c(C)s1 40088204 LANBMEJCAZRJRH-UHFFFAOYSA-N 304.371 2.655 0 40 DFAB CCOc1ncccc1CNC(=O)[C@@H](C)n1cnc2ccccc21 30645628 FTSFGHZDDQLXMZ-CYBMUJFWSA-N 324.384 2.707 0 40 DFAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 20123828 LQXOWYGAMVNUNQ-ZDUSSCGKSA-N 324.852 2.703 0 40 DFAB CCOc1ccccc1NC(=O)COC(=O)c1cccs1 130882 QSNXHKTZOQSDON-UHFFFAOYSA-N 305.355 2.942 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2)c1 51357078 GCAMKXJNHYJSSF-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1cc(-c2cccnc2)on1 101903895 MGEUWNQFKUJQFS-KNTRCKAVSA-N 308.341 2.536 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102167214 CLQZHPGGLYTJNT-OSFYFWSMSA-N 319.376 2.923 0 40 DFAB C[C@H]1C[C@H](OC(=O)Cc2coc3cc4c(cc23)CCC4)C(=O)O1 32736455 RRWOZQPXLYKGEI-QFYYESIMSA-N 314.337 2.711 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCCCc1ccccc1 102327500 FGHCKURSFXJJHL-NXOAAHMSSA-N 315.413 2.872 0 40 DFAB Cc1nc2ccc(C(=O)NCCCOCC3CC3)cc2nc1C 32823497 GQYMRNACKHVAKX-UHFFFAOYSA-N 313.401 2.793 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)c2cccc(C)c2)cc1 32910867 WHAUDSBCIOCEIL-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB CCN(CC)C(=S)NC(=O)c1ccccc1Br 586820 REHRQCKGDOSRMQ-UHFFFAOYSA-N 315.236 2.806 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)CCNC(=O)OC(C)(C)C 53190245 ZRAYFVISMZZNPJ-GFCCVEGCSA-N 324.396 2.788 0 40 DFAB c1ccc(-n2nnnc2SCc2cn3ccsc3n2)cc1 265445 QISNVSHAAHTYPP-UHFFFAOYSA-N 314.399 2.664 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NCc1cccc2c1OCCO2 78553133 SIZYTQVLMGWBIB-NSHDSACASA-N 301.390 2.659 0 40 DFAB CCCc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)n[nH]1 79096071 IHRHJYMMDBGDBI-UHFFFAOYSA-N 305.403 2.652 0 40 DFAB Cc1cccc2sc(NC(=O)CCCn3cncn3)nc12 54149155 VGUBBQDQCUBXCC-UHFFFAOYSA-N 301.375 2.615 0 40 DFAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(C)=O)cc1 6262327 JYZNBRPJAXALDY-OKZBNKHCSA-N 303.402 2.910 0 40 DFAB biogenic O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccc1F 12586850 NEVMWVKYQPLQML-ZDUSSCGKSA-N 318.392 2.879 0 40 DFAB O=S(=O)(NCCc1cccs1)c1cc(F)cc(F)c1 10511879 BGUOJENVJBNARG-UHFFFAOYSA-N 303.355 2.547 0 40 DFAB Cc1nc(SCC(=O)c2ccc[nH]2)n(C[C@@H]2CCCO2)c1C 12530128 CUTSITLUMAPZLE-ZDUSSCGKSA-N 319.430 2.982 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1cccc(F)c1 55863038 WVTBQOBYCYNDNH-INIZCTEOSA-N 324.359 2.934 0 40 DFAB C[C@H]1CCCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)C1 12540668 UCHZGLURTGJZSQ-STQMWFEESA-N 312.421 2.990 0 40 DFAB CN(C)[C@@H](C(=O)N1CCC(n2cccc2)CC1)c1ccccc1 57559688 BPRGZVQBTGXBGL-GOSISDBHSA-N 311.429 2.955 0 40 DFAB COc1ccc(CCNC(=N)NCc2cccc(OC)c2)cc1 57887232 KHUKDNABKLROTQ-UHFFFAOYSA-N 313.401 2.560 0 40 DFAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1C[C@@H]1C[C@H]2C=C[C@H]1C2 100214536 MPTBYHLTKHXSJM-QXKUPLGCSA-N 311.429 2.634 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CCc1ccco1)C2 97198379 ZPYFDIPDJNANTJ-ZDUSSCGKSA-N 315.417 2.837 0 40 DFAB CCCCN(C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 44969118 WYIOMEVWWKNFFK-UHFFFAOYSA-N 315.421 2.826 0 40 DFAB CC(C)N(C)Cc1ccccc1CN[C@H](C)Cn1cccn1 97162471 SNGHYMFXKHLNSM-MRXNPFEDSA-N 300.450 2.902 0 40 DFAB Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@H]1CC=CCC1 58341275 ABEABUPNLOSEHV-HOTGVXAUSA-N 303.402 2.516 0 40 DFAB CN1CCC(NC(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 48138199 OBPPSMYUSOYAAC-UHFFFAOYSA-N 320.412 2.642 0 40 DFAB Cc1noc([C@H](C)NC(=O)Nc2nc3ccccc3s2)n1 58376955 ATAKKLXMQQTMGU-ZETCQYMHSA-N 303.347 2.870 0 40 DFAB Cc1nc2cc(F)cc(C(=O)NO[C@H]3CCCCO3)c2nc1C 58416162 NVZKHXPZQDNZPT-AWEZNQCLSA-N 319.336 2.574 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 110654516 INCRBHWCFCHWQE-LVQVYYBASA-N 322.836 2.626 0 40 DFAB Cc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)s1 3564403 CLIYLHIYTRESTE-UHFFFAOYSA-N 315.350 2.510 0 40 DFAB Cn1cnnc1-c1cncc(NCc2csc(C3CC3)n2)c1 93110451 LAQUYNXRBUXKAB-UHFFFAOYSA-N 312.402 2.823 0 40 DFAB CN(C)c1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1 9212261 RBUFZUMXKWRJBN-UHFFFAOYSA-N 302.769 2.826 0 40 DFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 5115025 IDJLEPWAHMWKGU-WOSRLPQWSA-N 319.401 2.793 0 40 DFAB CC[C@H](Oc1cccc(C(=O)OC)c1)C(=O)Nc1cc(C)on1 9315678 MCFQWQMHMBLOBF-ZDUSSCGKSA-N 318.329 2.566 0 40 DFAB C[C@@H](c1c(F)cccc1F)N(C)c1ncnc2c1cnn2C 65436845 SYPOIRKLGGGTAO-VIFPVBQESA-N 303.316 2.839 0 40 DFAB NC(=O)[C@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 14073623 XENODWGPFMVSPF-CYBMUJFWSA-N 307.708 2.863 0 40 DFAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc[nH]1 6452929 GXXVSZFUKKIMNN-UHFFFAOYSA-N 322.158 2.746 0 40 DFAB C[C@H]1CN(Cc2ccc(Oc3ccccc3)o2)CCS1(=O)=O 97057374 JCDRHZACAXLQGM-ZDUSSCGKSA-N 321.398 2.691 0 40 DFAB COc1ccc(-n2cnc3c(cnn3-c3ccccc3)c2=O)cc1 6754943 PVKUQEOHXACJSG-UHFFFAOYSA-N 318.336 2.580 0 40 DFAB C[C@@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 6874829 SBZVZXOAHKXPLY-CQSZACIVSA-N 308.381 2.843 0 40 DFAB CNC(=O)c1cccc(N[C@@H](C)CC(=O)N2CCCCCC2)c1 97045794 NWYPFQATTAYCBO-AWEZNQCLSA-N 317.433 2.639 0 40 DFAB CC(=O)NCCCOC(=O)c1cccc(-c2nc(C)cs2)c1 96417872 ZHPJPWWMWTZKFQ-UHFFFAOYSA-N 318.398 2.802 0 40 DFAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)n1 7177460 BQLSMJGMWXBREF-MRVPVSSYSA-N 324.356 2.765 0 40 DFAB CCc1nc([C@H]2CCCN(C(=O)c3ccccc3F)C2)no1 67888490 IROCQAXLWNLSBV-NSHDSACASA-N 303.337 2.791 0 40 DFAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccc(F)cc1F 7492377 GIFCHBSLZJPUML-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB O=C(NCc1cc[nH]n1)[C@H]1C[C@H]1c1ccc(Br)cc1 71849995 FZYWBVQSSVLLTJ-STQMWFEESA-N 320.190 2.592 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)N(C)[C@H](C)C3CC3)CC2=O)cc1 71837836 FXPHYOYIYPRERH-RHSMWYFYSA-N 314.429 2.600 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2NC1=O 8015535 ZNCWIODWEDHWAY-VIFPVBQESA-N 300.289 2.797 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)N(C)C[C@@H]2CCCO2)o1 69033645 IGNYFANZXYPLIW-LBPRGKRZSA-N 316.361 2.688 0 40 DFAB O=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(F)cc1 69349582 NEJSNKXLNVURPA-UHFFFAOYSA-N 304.708 2.531 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 69493174 AQGXOOIZKBERQY-IRXDYDNUSA-N 324.428 2.571 0 40 DFAB CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(C2CC2)[nH]n1 69484119 RTSDBLODRJITBY-KRWDZBQOSA-N 311.385 2.673 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1 69924164 YLFAPWUECSDYEA-KRWDZBQOSA-N 311.385 2.699 0 40 DFAB CCn1c(CNC(=O)c2cc(SC)ccc2C)n[nH]c1=S 69929448 WEVCKXRIANJHPB-UHFFFAOYSA-N 322.459 2.921 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 72294722 ZGBGTYGDPXRPQX-RRFJBIMHSA-N 316.470 2.793 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3cccc4c3CCCC4)nn12 9836684 DSBHURKVPUQJBH-UHFFFAOYSA-N 307.357 2.564 0 40 DFAB O[C@@H](COc1cccc2ccccc12)COC1CCOCC1 95974854 FDYOXCLJCFMVEH-OAHLLOKOSA-N 302.370 2.775 0 40 DFAB Cc1cccc(C(=O)Nc2ccccc2CN2CCNC2=O)c1 95993552 IZZFKZDOGBKUAO-UHFFFAOYSA-N 309.369 2.773 0 40 DFAB COC(=O)CCCNC(=O)Cc1coc2c(C)c(C)ccc12 9954501 JBKBIPREDNMEEC-UHFFFAOYSA-N 303.358 2.662 0 40 DFAB COC(=O)Nc1ccccc1C(=O)N(C)Cc1cnc(C)s1 75137959 UGROURJSOKKHEW-UHFFFAOYSA-N 319.386 2.902 0 40 DFAB CCCOCc1nn(C(C)C)cc1I 408715858 FXVIMSIJUUXECT-UHFFFAOYSA-N 308.163 2.995 0 40 DFAB CCCCOc1ccc([C@H](C)CNc2ncnc(N)n2)cc1 27532749 BSTZOADKBJVHJC-GFCCVEGCSA-N 301.394 2.848 0 40 DFAB CC(C)Cn1cnc2c(SCc3ccccn3)nc(N)nc21 37866053 LXDUJBPGPHPPDF-UHFFFAOYSA-N 314.418 2.752 0 40 DFAB in-vitro O=C(OCCCCOc1ccccc1)c1ccc2nncn2c1 73532185 CNCDJHLUWHNNOW-UHFFFAOYSA-N 311.341 2.745 0 40 DFAB C[C@@H](NC(=O)Cc1cnc[nH]1)c1ccc2nc(C3CC3)[nH]c2c1 1553985760 TUFDXEKEBHMXTI-SNVBAGLBSA-N 309.373 2.583 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(OC)c2)cc1 72228074 KTCIVZZMIYZWLD-DLBZAZTESA-N 312.369 2.509 0 40 DFAB CC(C)N(Cc1cccc(Cl)c1)C(=O)CNC(=O)NC1CC1 79050263 XOEPNPVTHZQFRU-UHFFFAOYSA-N 323.824 2.539 0 40 DFAB CCn1ncc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)c1C 72325132 SHOYZNPCTFZTMP-IRXDYDNUSA-N 322.522 2.613 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N1CCC[C@H]2CCCC[C@H]21 72756002 USTBOSNARHWZEU-ZIAGYGMSSA-N 306.431 2.593 0 40 DFAB CCn1cc(CN2CCCN(C(=O)C3CCCCC3)CC2)cn1 69656375 APGCTQBSDOHZMH-UHFFFAOYSA-N 318.465 2.518 0 40 DFAB Cc1nonc1NC(=O)[C@@H](C)c1ccc(Br)s1 74727180 ACVMKIVLPRUUHY-YFKPBYRVSA-N 316.180 2.944 0 40 DFAB N[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218064052 WOMREOFYIYODBP-KFWWJZLASA-N 307.802 2.607 0 40 DFAB Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2)cc1 72856082 GNIPXPCBUZGUHF-KRWDZBQOSA-N 323.396 2.562 0 40 DFAB O=C(OCc1ccccc1CN1CCOCC1)c1ccccc1 31948014 DNEUAWJLVPYQJV-UHFFFAOYSA-N 311.381 2.876 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1nccn1-c1ccccc1 568491287 GNUDJGVOEXWMMT-UHFFFAOYSA-N 309.369 2.692 0 40 DFAB CC[C@@H]1OCC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 569323554 LVQDNECNPLPSGQ-DOMZBBRYSA-N 305.422 2.813 0 40 DFAB COc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225745439 VBDRVMRSMMIYQB-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB Cc1nc(-c2nnsc2C(=O)OCc2ccccc2)co1 223860245 XYUMDQVQPVMFMH-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB Cc1ccc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)nc1 226747836 ZBAAEAWYUSKVMM-HNNXBMFYSA-N 301.371 2.973 0 40 DFAB O=C(NCCC1=CCCCC1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 222442770 DBEYVSDJDCLIOV-XUWVNRHRSA-N 303.402 2.906 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@H]1CCC[C@@H]1CCO 194323538 HLDQOKWHDNMAET-PBHICJAKSA-N 313.401 2.585 0 40 DFAB CC(C)OCCS(=O)(=O)NCc1csc2ccccc12 96451020 FUGIHVSXRUQRHB-UHFFFAOYSA-N 313.444 2.746 0 40 DFAB O=C(c1coc2ccccc12)N(CCCO)Cc1ccncc1 95447987 BYLFEZBKGNAGFW-UHFFFAOYSA-N 310.353 2.853 0 40 DFAB C[C@H]1CCO[C@H]1C(=O)Nc1cc(Br)ccc1O 97228859 MUZBTXQYPKVADS-WRWORJQWSA-N 300.152 2.518 0 40 DFAB CC[C@H](NCC(=O)NC1CC1)c1ccccc1Br 96492260 OGGCIYXCNHSBQU-ZDUSSCGKSA-N 311.223 2.768 0 40 DFAB CCN(CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 96434473 KRKKYJSQOOEJEI-INIZCTEOSA-N 317.433 2.960 0 40 DFAB O=C([C@@H]1CCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 96425753 AIZQYJAWSMJDKP-LBPRGKRZSA-N 305.271 2.896 0 40 DFAB CC(C)CN1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96053561 UNKFFWRBWQHBGW-IBGZPJMESA-N 324.428 2.668 0 40 DFAB O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2C2CCC2)O1 97953579 FROCOGXIWXANMU-OAGGEKHMSA-N 320.458 2.539 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2ccsc2)c(C)n1C1CC1 96475403 RECHIAPSGFQFJW-HNNXBMFYSA-N 304.415 2.965 0 40 DFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cnccn1 96230935 AWWSFWWXJMMNBL-OAHLLOKOSA-N 322.368 2.774 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257293090 QOBKBJJEMFGZEV-CQSZACIVSA-N 316.430 2.765 0 40 DFAB Fc1ccc2c(c1)CCCN2Cc1nnnn1Cc1ccccc1 26624874 JDKAGAHPXRWDCV-UHFFFAOYSA-N 323.375 2.813 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc2ccccn2c1 390828324 QHJPRPCJILJPEP-QGZVFWFLSA-N 324.384 2.957 0 40 DFAB CN1C[C@@H](COCC2CC2)C2(CCN(Cc3ccco3)CC2)C1 585102681 ATVYODXKUIESDE-KRWDZBQOSA-N 318.461 2.850 0 40 DFAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2CCCC2)C1 72082588 ONUOTXKZNUGSPG-ZDUSSCGKSA-N 323.824 2.733 0 40 DFAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1c1cccs1 73387274 DDNQUABGNFNBAH-NWDGAFQWSA-N 302.403 2.702 0 40 DFAB Cc1ccc(S(=O)(=O)CC(=O)NC2CCCCCC2)cc1C 47649388 MNYDRFDSHFLGAY-UHFFFAOYSA-N 323.458 2.916 0 40 DFAB Cc1cc(SC(C)(C)C)ccc1N[C@H](C)C(=O)NC(N)=O 58356317 QFRUHMYJEOJQRT-SNVBAGLBSA-N 309.435 2.881 0 40 DFAB CO[C@]1(CNC(=O)CCSc2ccccc2)CCSC1 96097595 UYZONXAPLHEZSP-HNNXBMFYSA-N 311.472 2.807 0 40 DFAB COc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)ccc1SC 97375133 VTWFZIXVIQVLPA-CHWSQXEVSA-N 308.447 2.551 0 40 DFAB O=C(O)c1cccc(CNC(=O)c2occc2Br)c1 195550753 METAHPCWLAPMLB-UHFFFAOYSA-N 324.130 2.670 0 40 DFAB CC(C)(C)OC(=O)NC1CCC(N[C@@H]2CCSC2)CC1 96478117 FEVBMDGLVGAALZ-WXRRBKDZSA-N 300.468 2.917 0 40 DFAB COc1cc(-c2nc(C(=O)O)c(C)s2)cc(OC)c1OC 11766568 JCWNDHXPUSYUQE-UHFFFAOYSA-N 309.343 2.843 0 40 DFAB C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 11866056 XLTWEZQIRPKJSU-QMMMGPOBSA-N 324.789 2.595 0 40 DFAB O=C(C1CCCCC1)N1CCC(n2nnc3cccnc32)CC1 12117620 LWFLBPRJSWXLHP-UHFFFAOYSA-N 313.405 2.570 0 40 DFAB C[C@H](Cc1ccccn1)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 12147522 UHXNHTFUZPNDDE-CYBMUJFWSA-N 321.384 2.570 0 40 DFAB Cc1nc(-c2ccccc2)c(CC(=O)N(C)CCN(C)C)s1 12238190 DTKNKRFKNDVCLT-UHFFFAOYSA-N 317.458 2.681 0 40 DFAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C)CC3)ccc21 12291144 KVPRRSRCOHANGY-IBGZPJMESA-N 316.445 2.751 0 40 DFAB O=C(COC[C@@H]1CCCN2CCCC[C@@H]12)Oc1ccccc1 13425034 DGRPNXSKYKPQDI-RDJZCZTQSA-N 303.402 2.873 0 40 DFAB biogenic O[C@H]1CCCN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C1 19717975 UEBXABJLWKFYCX-AWEZNQCLSA-N 308.385 2.582 0 40 DFAB C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(OC(C)(C)C)cc1 157061613 SELGSYAGVUIXNS-RDJZCZTQSA-N 319.493 2.760 0 40 DFAB O=C(CCC1CCCCC1)NCc1n[nH]c(=O)c2ccccc12 5313223 ULWFGAMPBDEVAT-UHFFFAOYSA-N 313.401 2.900 0 40 DFAB Cn1cc(CN2C[C@H]3C[C@H](OCc4ccccc4)C[C@H]3C2)cn1 257248885 JFRDGHGCYYSMIS-BWTSREIZSA-N 311.429 2.847 0 40 DFAB CN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1F 6910996 AAPCKHSQUWWEEF-UHFFFAOYSA-N 315.392 2.962 0 40 DFAB COc1ccc(CC(=O)NCCc2cn3ccc(C)cc3n2)cc1 2960931 OYMKJSCVADDUKN-UHFFFAOYSA-N 323.396 2.553 0 40 DFAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 5136615 BXVJJZOTYIUUPQ-UHFFFAOYSA-N 324.446 2.772 0 40 DFAB Cc1cc(Cl)cc2c(=O)n(C[C@H]3CCCO3)c(S)nc12 1775968608 GTXQQCIGCZSBFV-SNVBAGLBSA-N 310.806 2.826 0 40 DFAB O=C(NCc1nccnc1-c1ccoc1)c1ccc2nc[nH]c2c1 575619929 HTWGNCFJZHIKHL-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB COc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2c1 20188804 VMLGUIRJVNAVEN-VXGBXAGGSA-N 316.401 2.777 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)NC(=S)N1 100496309 UJJMRDQJSDNDIY-GFCCVEGCSA-N 310.444 2.740 0 40 DFAB CCOC(=O)NCCC(=O)N[C@H](C)c1ccc(Cl)s1 31376345 RUQXGNRKDQPOQF-MRVPVSSYSA-N 304.799 2.715 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(C)cc1)CC(C)C 31705773 SAVADNXHOAADMY-OAHLLOKOSA-N 306.406 2.886 0 40 DFAB COc1cccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)c1 40513541 FUJARWFWWVLLNV-HNNXBMFYSA-N 322.311 2.829 0 40 DFAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1F 101277674 PWOOGKIYSGUCPQ-GJZGRUSLSA-N 324.315 2.632 0 40 DFAB COc1ccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c(C)c1 101547564 BYSLFSDESAQTQU-DUPGQFARSA-N 304.390 2.532 0 40 DFAB O=C(Cn1c(=O)sc2ccccc21)Nc1cccc(F)c1 381841 NKGUIWVHSRVBID-UHFFFAOYSA-N 302.330 2.841 0 40 DFAB COc1ccc(C)cc1CC(=O)N(CCO)Cc1ccccc1 32802144 YYVFXFZRRKFXNK-UHFFFAOYSA-N 313.397 2.567 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(F)cc1 52869010 HMSMSBYOEJNHIJ-OAHLLOKOSA-N 319.307 2.999 0 40 DFAB CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 565209 CFPXTESHUPIAAM-HNNXBMFYSA-N 321.785 2.839 0 40 DFAB CC(C)(C)c1ccc(C(=O)N[C@H](O)C(=O)c2ccccc2)cc1 406805 VCJFXOHSQFGSCO-GOSISDBHSA-N 311.381 2.915 0 40 DFAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 581566 PSCZQBTZKRJIHH-UHFFFAOYSA-N 303.811 2.960 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(OC)c2)c1 3556104 CBBRWGLINGTZON-UHFFFAOYSA-N 313.353 2.971 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2F)C1 4241573 LNANJBYDRSFKDR-NWDGAFQWSA-N 309.337 2.861 0 40 DFAB COc1ccc(-c2csc(CCN3N=C(C)CC3=O)n2)cc1 4918627 XPLSZHRHIOFUJF-UHFFFAOYSA-N 315.398 2.969 0 40 DFAB Cc1cccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 6786667 MEQREPKSVGULBX-LJQANCHMSA-N 306.365 2.889 0 40 DFAB Cc1cccc(C(=O)Nc2nn3c(CC(C)C)nnc3s2)c1 6818098 YPYUSWSJXZVYDP-UHFFFAOYSA-N 315.402 2.945 0 40 DFAB COc1ccccc1CN(C)C(=O)CSc1nnc(C)s1 7293834 WLTYYVYPELDGGW-UHFFFAOYSA-N 323.443 2.606 0 40 DFAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 7406077 SQLPSQUXOFSJPM-UHFFFAOYSA-N 308.381 2.593 0 40 DFAB CNC(=O)c1ccc(NC(=O)CSCc2cccs2)cc1 7524865 BZABNYWFVUYJFJ-UHFFFAOYSA-N 320.439 2.980 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 8007625 KLQWWCPERIVXIS-AAEUAGOBSA-N 317.414 2.926 0 40 DFAB COC(=O)c1cccc(OC[C@H](O)CN[C@H](C)CCC(C)C)c1 8314223 MXAFLEFKPJUNLJ-GDBMZVCRSA-N 323.433 2.627 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 9114475 YVIAMXHMMNTCRR-LLVKDONJSA-N 310.357 2.766 0 40 DFAB COc1cc(C(=O)OCC(=O)c2cccs2)cc(OC)c1O 11565668 IFQCQTJTBVYOII-UHFFFAOYSA-N 322.338 2.511 0 40 DFAB CC(C)[C@@H](Nc1ccc2nnnn2n1)c1ccc(Cl)cc1 12760156 QGVDWOLQEGQMON-CQSZACIVSA-N 302.769 2.982 0 40 DFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 13011520 QPPKZMBEYODCRR-OAHLLOKOSA-N 316.401 2.982 0 40 DFAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1F 13135278 GDJQVPMKJGTZNQ-UHFFFAOYSA-N 320.393 2.871 0 40 DFAB COc1ccc([C@@H]2[C@@H]3C(C)=NN=C3C[C@@](C)(O)[C@@H]2C(C)=O)cc1 13142921 HDMQMOKRQPHFHG-BRSBDYLESA-N 314.385 2.585 0 40 DFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)C1CCCC1)C2=O 14163780 QYQYZFFNZGQXMX-FZKQIMNGSA-N 321.465 2.955 0 40 DFAB C[C@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCO2 18109226 JSTSIPLKVHYEMA-ZDUSSCGKSA-N 313.353 2.714 0 40 DFAB CCCC12CN3CC(CCC)(CN(C1)C3c1cccnc1)C2O 19322785 AVNLNZNCTVALOW-UHFFFAOYSA-N 315.461 2.659 0 40 DFAB biogenic CNc1cc(CNC(=O)[C@@H]2CC=CCC2)nc(-c2ccncc2)n1 19592319 QISBIRUTKQCIEK-CQSZACIVSA-N 323.400 2.553 0 40 DFAB CCOC(=O)c1ccc(-c2ccc(CNCCN(C)C)o2)cc1 22076238 AYIKGBPFIYOESY-UHFFFAOYSA-N 316.401 2.775 0 40 DFAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCCC3)c2C)cc1 23695048 IQWUNQZLQBIQEB-UHFFFAOYSA-N 312.417 2.832 0 40 DFAB C[C@H](Sc1nncs1)C(=O)N1CCc2sccc2C1 23956349 NYVHIEVLHSSSSF-QMMMGPOBSA-N 311.457 2.665 0 40 DFAB Cc1ccc2nc(CN3CCC[C@H]3c3cc(C)on3)cc(=O)n2c1 24746341 SHXIHXFOFLQHLW-INIZCTEOSA-N 324.384 2.636 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 25561123 ZFUSJRYIDHTODA-LLVKDONJSA-N 319.430 2.750 0 40 DFAB CCOP(=O)(OCC)[C@@H](NC(C)=O)C(=O)c1cccs1 26962756 FDKSIPXCBHBBED-GFCCVEGCSA-N 319.319 2.659 0 40 DFAB C[C@H](C(=O)NC1CCCCC1)n1cc(Br)cn1 28230531 HBPMPEKGSDXKQN-SECBINFHSA-N 300.200 2.656 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c(C)c1 29839127 LVKLSEYHGZLSAT-UHFFFAOYSA-N 312.325 2.755 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CCO1 30853606 AKBLNDNUCAAJTR-LBPRGKRZSA-N 305.403 2.698 0 40 DFAB CC[C@H](C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1 32647957 ZVTBJQLKHHBKLY-JTQLQIEISA-N 309.316 2.726 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 32846008 KFIRDVVVPMLFSN-ZDUSSCGKSA-N 305.422 2.800 0 40 DFAB O=C1COc2cc(NC(=O)[C@@H]3CC=CCC3)c(Cl)cc2N1 33194475 KYQGJNOADMFUHP-SECBINFHSA-N 306.749 2.966 0 40 DFAB CO[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 38818223 QNAATGUUOVFIKV-WDEREUQCSA-N 301.383 2.700 0 40 DFAB O=C(Nc1ccc(N2CCCC2)nc1)[C@@H]1COc2ccccc2C1 40025668 XSZBBZHMCMZYHQ-HNNXBMFYSA-N 323.396 2.872 0 40 DFAB O=C(O)CCCCCNC(=O)CCn1ccc2ccccc21 40312850 JWWIDRSOQWKFSJ-UHFFFAOYSA-N 302.374 2.793 0 40 DFAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc(Cl)n2)C1 40434276 IUYSDUHNGYZGMH-JTQLQIEISA-N 313.785 2.908 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CN2CCSC2=O)o1 40476630 WXWCNKDGJQJTGA-CMPLNLGQSA-N 308.403 2.530 0 40 DFAB Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)no1 41952573 IURGMQSJCJWZCE-CYBMUJFWSA-N 305.403 2.611 0 40 DFAB Cc1nc(N(C)CC(N)=O)c2c(-c3cccs3)csc2n1 43272412 UWMSJSBGPIPORY-UHFFFAOYSA-N 318.427 2.650 0 40 DFAB Cc1cc(=O)n2nc(N[C@H](C)c3ccc(F)cc3)sc2n1 44897102 BNRXLHIUXSOBSW-SECBINFHSA-N 304.350 2.772 0 40 DFAB O=C(NOCc1ccccc1)c1cccnc1N1CCCCC1 45061882 BGTWYKYKEMKUKI-UHFFFAOYSA-N 311.385 2.934 0 40 DFAB O=C(NCc1ccoc1)Nc1ccc(-c2nnnn2C2CC2)cc1 47832290 NFVIMCDBDYWCIA-UHFFFAOYSA-N 324.344 2.590 0 40 DFAB CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 48382825 JJKPMOJYDGQTBA-UHFFFAOYSA-N 321.354 2.584 0 40 DFAB Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1 48763722 HXLQALLHPWEMKZ-INIZCTEOSA-N 324.380 2.882 0 40 DFAB COCCCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 49602774 ZILQRJQEKRMZCV-QGZVFWFLSA-N 307.390 2.698 0 40 DFAB CCc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)s1 52972344 IUUJFJRKSQRIQJ-UHFFFAOYSA-N 316.426 2.942 0 40 DFAB CN(C)C(=O)[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 53581467 KLSUPWAYWOEDBV-LBPRGKRZSA-N 324.306 2.737 0 40 DFAB CC1=NN(c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)CC1 54116667 IYZVULHRXUBOFM-UHFFFAOYSA-N 323.396 2.951 0 40 DFAB CC(C)Oc1ccccc1Cn1cc(-c2nnco2)ccc1=O 54917131 CGJAGDQQPVQQID-UHFFFAOYSA-N 311.341 2.734 0 40 DFAB COc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)no2)cc1 55612407 CETZYHGHOYSUDE-CQSZACIVSA-N 300.358 2.839 0 40 DFAB CCCCS[C@@H](C)C(=O)N(C)Cc1ccc(C(N)=O)cc1 57452306 ZBBKTKPATSWRSO-LBPRGKRZSA-N 308.447 2.666 0 40 DFAB O=C(Nc1cccnc1-n1cncn1)[C@H]1CCCc2ccccc21 58343686 CKPCOPWQMBAQKR-HNNXBMFYSA-N 319.368 2.721 0 40 DFAB C[C@H]1CN(C(=O)c2cccnc2S)C[C@@H](c2ccccc2)O1 58404360 XYDTWBBNCSDAHI-WFASDCNBSA-N 314.410 2.973 0 40 DFAB CC[C@@H](C)NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 63395692 RBUSVNDBEVWMFW-GFCCVEGCSA-N 319.405 2.851 0 40 DFAB CC(C)(NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 65404995 HJZBIMGLZJPTLW-CQSZACIVSA-N 314.429 2.829 0 40 DFAB CC(=O)c1cccc(NC(=O)N[C@H](C)COCC(F)(F)F)c1 65516158 HOPDUISSFNYKBT-SECBINFHSA-N 318.295 2.978 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1F 68741057 YTHBHILQNWBHAZ-ZETCQYMHSA-N 310.188 2.665 0 40 DFAB Cc1noc(C)c1CNC(=O)NCCCc1cccc(F)c1 69085026 CEVXGKVAZZOWCX-UHFFFAOYSA-N 305.353 2.863 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 69104598 DOIIVEYIRBJKNR-JMSVASOKSA-N 312.435 2.785 0 40 DFAB Cc1cc2n(n1)C[C@H](CN[C@H](C)c1sc(C)nc1C)CN2 69350969 BYCFKLZTGICPLT-ZWNOBZJWSA-N 305.451 2.657 0 40 DFAB CC(C)c1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cs1 69628675 SUAZVQVNHVQGIJ-ZDUSSCGKSA-N 304.419 2.977 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cn1 69668821 NCTNMQNZCFKVFI-KRWDZBQOSA-N 308.385 2.808 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H]1Cn1cccn1 71866338 BHNYKBWILDPBKV-GDBMZVCRSA-N 313.426 2.591 0 40 DFAB Cc1cc(C)nc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 72203107 MZEFZGDUIWYWJW-ZDUSSCGKSA-N 306.410 2.905 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)n1 72239720 ZDNPDAXWQXMNDM-ZDUSSCGKSA-N 315.398 2.581 0 40 DFAB CCCCS(=O)(=O)N(C)Cc1ccc(Br)o1 72259999 XSRHAZMKHDTWAM-UHFFFAOYSA-N 310.213 2.604 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2)C1 76067358 PJQGQGZNUPGTND-LSDHHAIUSA-N 317.462 2.768 0 40 DFAB CN(CCc1nc(-c2ccc(Cl)cc2)no1)CC(C)(C)O 77316252 SWIDQMVPORXENK-UHFFFAOYSA-N 309.797 2.635 0 40 DFAB Cc1nc(CN(C)Cc2cnn(C)c2C(F)(F)F)cs1 79092979 PVBRIJSMMOLXSG-UHFFFAOYSA-N 304.341 2.836 0 40 DFAB CN1CC[C@H](Nc2ccc(Cl)cc2OCC(F)(F)F)C1=O 81158459 RGPHENUYQLQTSH-JTQLQIEISA-N 322.714 2.924 0 40 DFAB Cc1ccccc1CCCN1C(=O)C[C@@]2(CCSC2)C1=O 84235676 ZEFIRQXFBBXRDB-QGZVFWFLSA-N 303.427 2.810 0 40 DFAB Cc1cc(C(N)=O)c(NC(=O)CCO[C@@H](C)CC(C)C)s1 87297509 PXPFSLWJNAEJII-JTQLQIEISA-N 312.435 2.935 0 40 DFAB Cc1cc(C)n(-c2ccc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)nn2)n1 89595716 OWPAGULRCVGYFN-KFWWJZLASA-N 313.405 2.649 0 40 DFAB CC(C)(C)c1cnc(CNc2ccc(Cl)nc2C(N)=O)o1 89725199 XXYCXMGRXSPCDE-UHFFFAOYSA-N 308.769 2.732 0 40 DFAB O=C(NC1CC1)C1CCN(c2nc3ccc(F)cc3s2)CC1 90503952 HTAPSFFSSYZAED-UHFFFAOYSA-N 319.405 2.930 0 40 DFAB CC1(CNC(=O)NC[C@H]2CCC[C@@H](O)C2)Cc2ccccc2C1 91933998 HOXROHPACXZZOK-WMLDXEAASA-N 316.445 2.642 0 40 DFAB CCN1CCN([C@@H]2CCN(Cc3ccc(C)cc3C)C2)CC1 93133034 KKYQDZSTCJLVRW-LJQANCHMSA-N 301.478 2.515 0 40 DFAB CNC(=O)c1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1 93942176 XBZWDEDQMLOBAT-AWEZNQCLSA-N 311.429 2.963 0 40 DFAB O=C1CCCCN1CCCNCc1cnc(C2CCC2)s1 95415468 NNBKQZGNDGYVKU-UHFFFAOYSA-N 307.463 2.903 0 40 DFAB CN1CCN(CCCN[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 95419537 JUUGNWICZUOLRR-UXHICEINSA-N 315.505 2.625 0 40 DFAB COc1cccc(OCC(=O)N[C@H](CCO)C2CCCCC2)c1 95441330 VRAGGLRMDVXOJJ-QGZVFWFLSA-N 321.417 2.522 0 40 DFAB C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(F)cc1F 95441910 MGUBZYPGQFTAKL-CMPLNLGQSA-N 314.401 2.579 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCC1 95458935 AWJQLPFTJIBARR-HNNXBMFYSA-N 305.422 2.517 0 40 DFAB Cc1nc([C@@H]2CN(Cc3ccccc3OC(C)C)CCO2)no1 95958110 WARLGNXIURVDCT-INIZCTEOSA-N 317.389 2.739 0 40 DFAB O=C(NCc1cccc(CNC(=O)C2CC=CC2)c1)C1CC=CC1 95979649 YQWMQXALDDRWPP-UHFFFAOYSA-N 324.424 2.851 0 40 DFAB COc1ccc(C(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl 96043629 LTDCGEHSZPXRNW-VHRBIJSZSA-N 309.793 2.988 0 40 DFAB Cc1nc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cs1 96046117 ZXXYQWBPNNBAOV-APHBMKBZSA-N 316.430 2.594 0 40 DFAB CN(C)C(=O)c1cccc(NC(=O)c2cccc(F)c2Cl)n1 96437405 XQVXWZJZYOYIIU-UHFFFAOYSA-N 321.739 2.828 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@H](c1cnn(C)c1)N(C)C 96477909 LTANNJCWTFQUNI-WMLDXEAASA-N 316.449 2.691 0 40 DFAB O=C(NCCCF)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 96490630 PJSAQKGYMUBIJN-STQMWFEESA-N 300.761 2.829 0 40 DFAB CCn1c(SCc2noc(COC)n2)nc2ccccc21 96500007 FWQCOXNUCXHAMT-UHFFFAOYSA-N 304.375 2.878 0 40 DFAB Cc1ccccc1[C@H](O)CNC1CCN(c2nccs2)CC1 97081026 JJGLJPDHOTXXAQ-MRXNPFEDSA-N 317.458 2.744 0 40 DFAB Cc1ncsc1C(=O)OCc1nnc(C2CC2)n1C1CC1 97084165 AZBLSWQHQWWNQZ-UHFFFAOYSA-N 304.375 2.612 0 40 DFAB O=C(C[C@@H]1COCCN1Cc1nccs1)c1ccccc1 97095935 ACRNDLXZVDSKFW-CQSZACIVSA-N 302.399 2.617 0 40 DFAB C[C@H](CN1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 97103856 JVKKQTKFBFTIQE-PBHICJAKSA-N 308.853 2.850 0 40 DFAB CCOCC(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C 97165004 WOZMPOYDQDRYNH-UHFFFAOYSA-N 309.406 2.867 0 40 DFAB C1=C[C@H]2C[C@H]1CC21COC2(OC1)OCC1(CO2)C[C@@H]2C=C[C@H]1C2 103548515 VGFOQSFPTGPPBK-DZNNIQKYSA-N 316.397 2.856 0 40 DFAB CNCC(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 155337843 UVELIGIJCLCCDA-UHFFFAOYSA-N 319.405 2.908 0 40 DFAB COCN1C(=O)CCc2cc(NCc3cncs3)ccc21 191951566 UAQXAQQNBREECK-UHFFFAOYSA-N 303.387 2.638 0 40 DFAB COc1ccc(-n2cnc(C(=O)Nc3ccc(C)cn3)c2)cc1 226753409 IDJLTQYOTVCVLS-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 244021931 SPNIFMLWRILKSE-KBPBESRZSA-N 318.417 2.741 0 40 DFAB CO[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1 247824421 FEYJOWCKGFSLLH-OAHLLOKOSA-N 310.353 2.905 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 252505865 OGDIXAHVHSKMKS-IDCJVQTKSA-N 308.466 2.558 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccnc(-c3ccccc3C(=O)O)c2)C1 257226836 FMJXKYCCXAMPEH-HNNXBMFYSA-N 324.380 2.858 0 40 DFAB CNc1ncccc1CN1CCN(C(C)=O)[C@@H](c2ccccc2)C1 257242688 IDSGQUVAOGCUQD-GOSISDBHSA-N 324.428 2.529 0 40 DFAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2Cc2coc(C)n2)n1 257269421 MPWWQQUVAXAUPD-KRWDZBQOSA-N 315.421 2.659 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)Cn2ccnc2)CC1 257317851 VLLOXIUECFOASM-UHFFFAOYSA-N 324.837 2.573 0 40 DFAB C[C@@](O)(CNc1ncc(Br)cn1)c1cccs1 265809869 LPRSAOLBPVACEZ-LLVKDONJSA-N 314.208 2.620 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1c(F)cccc1F 390825974 VMSLVJCCZRFAQV-GFCCVEGCSA-N 321.327 2.983 0 40 DFAB COCCc1nnc(S[C@@H](c2ccccc2)C(C)C)n1N 521394565 ZULOHDOLQLXELK-CQSZACIVSA-N 306.435 2.670 0 40 DFAB Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cccc3[nH]ccc23)CCO1 548669640 FHIKBNCXRTZFGP-YVEFUNNKSA-N 324.384 2.552 0 40 DFAB COCC[C@H]1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2 575404637 ORWGFKYOGQYRGE-HNNXBMFYSA-N 303.402 2.653 0 40 DFAB Cn1cc(-c2ccc(CNC(=O)/C=C/c3cccs3)cn2)cn1 575616510 MPDCXHCOKNBKSM-FNORWQNLSA-N 324.409 2.873 0 40 DFAB CCCC1=NN(C(=O)c2cccc(O)c2)[C@](O)(C(F)(F)F)C1 108425 QQUZGIUSOJXYRJ-CYBMUJFWSA-N 316.279 2.645 0 40 DFAB CC(=O)c1c(C)nc(C)nc1SCc1ccc(C(N)=O)cc1 78709723 NJZBZRYVBRFUFT-UHFFFAOYSA-N 315.398 2.687 0 40 DFAB CCC[C@@H](C)C(C(=O)OCC)(C(=O)OCC)[C@@H](C)OCC 1694448 PXHSRAQRDJKRAD-CHWSQXEVSA-N 302.411 2.960 0 40 DFAB COc1cc(CCC(=O)Nc2c(C)nn(C(C)C)c2C)on1 79478710 WGMYSZWLYXYZLM-UHFFFAOYSA-N 306.366 2.649 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccc(C)nc1)c1ccc(C)cc1 23450011 QVAUUSHKAVWWMM-INIZCTEOSA-N 312.369 2.733 0 40 DFAB CCCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1 7649424 YUBOXOUKSSKYLF-UHFFFAOYSA-N 318.398 2.873 0 40 DFAB O=c1[nH]nc2ccc(Sc3cccc(C(F)(F)F)c3)nn12 1395691 RSHCGQDRLUEKNW-UHFFFAOYSA-N 312.276 2.588 0 40 DFAB CCCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 106577548 TXFFWDUEHIJDKE-ZWKOTPCHSA-N 316.445 2.622 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccnc1Cl 84544146 HJATUVIERLXHFP-UHFFFAOYSA-N 313.744 2.800 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)N1CCCC[C@H]1C 107335011 VTZWJHWIWUJOCV-KFWWJZLASA-N 317.433 2.836 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2cccs2)c1 9064264 UKIYPAPVFRSDOQ-UHFFFAOYSA-N 308.384 2.589 0 40 DFAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C 58014211 MOXBKTBIQFIZDX-JTQLQIEISA-N 321.402 2.534 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CCN2CCSC2=O)o1 44891458 FZKVQVNLYVMXNF-WCQYABFASA-N 322.430 2.920 0 40 DFAB CCOc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 44892249 GRARKSFSNAJKCV-UHFFFAOYSA-N 317.414 2.504 0 40 DFAB CCOc1c(OC)cc(CNC(=O)N(C)CC2CC2)cc1OC 58265196 MHRDQJHYKBACEQ-UHFFFAOYSA-N 322.405 2.654 0 40 DFAB O=C(NCCc1ccsc1)NCc1ccc2c(c1)OCCO2 44914713 VKDPZMYDVUNOMF-UHFFFAOYSA-N 318.398 2.561 0 40 DFAB CC(C)(C)OC(=O)NCCNC(=O)C1(c2ccccc2)CCC1 58369029 ANLCTMFQGHRWRA-UHFFFAOYSA-N 318.417 2.749 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)c(F)c1 12782759 VVQRPGPLOBXZSI-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccsc1 36686437 QYINTSARYIBOSA-NHYWBVRUSA-N 303.383 2.935 0 40 DFAB O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@@H]2CCCC[C@H]21 46486956 QOHOFSAZLRNBHC-CZUORRHYSA-N 313.353 2.577 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cccc(N2CCCC2=O)c1 11916634 UAHNLQCISFXDMJ-UHFFFAOYSA-N 313.357 2.599 0 40 DFAB C=Cn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 10119571 LAURQXCVMIRKMV-UHFFFAOYSA-N 321.340 2.605 0 40 DFAB C[C@@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C[C@@H](C)O1 12817050 SOMXOEBEIZXWCV-VMFRVMOISA-N 311.385 2.521 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(-c3ncon3)cc2)nn1C 95405764 LJFDIAGXOKFGOU-UHFFFAOYSA-N 311.345 2.846 0 40 DFAB Cc1cccc(CNC(=O)NCCCN2CCC[C@H](C)C2)c1 48758722 KZMOQDAGVHHWNF-INIZCTEOSA-N 303.450 2.916 0 40 DFAB C[C@H](C(=O)NCCc1cc(Cl)cc(Cl)c1)n1cncn1 49296675 XSNUAJUARHLBKT-SECBINFHSA-N 313.188 2.505 0 40 DFAB O[C@@H](CCc1ccccc1)CN1CCC(N2CCCC2)CC1 96013707 INOLIDDTHYDPDM-IBGZPJMESA-N 302.462 2.540 0 40 DFAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NC1CCCC1 5111721 ZGQFSKMLTRYSMN-UHFFFAOYSA-N 315.291 2.921 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2CCCO2)c1 65500007 IUXIOEBNLJMYQN-GDBMZVCRSA-N 305.374 2.546 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(C)s2)nc1 65593214 BFDJRBBJGUVOFK-UHFFFAOYSA-N 303.387 2.519 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 14241873 OUSFHMHRZKSACN-CYBMUJFWSA-N 317.410 2.890 0 40 DFAB COC(=O)c1ccc(COn2nnc3ccc(Cl)cc32)cc1 5457579 APPHDRCNSMTMGG-UHFFFAOYSA-N 317.732 2.500 0 40 DFAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 5480378 YWXJBBHDBDBABT-NJVMCNKBSA-N 305.418 2.962 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 110591356 SYOBOMBPOZRWFH-UXLLHSPISA-N 316.445 2.659 0 40 DFAB O=C(COC(=O)Cc1cccs1)Nc1ccc(F)cc1F 5786780 ULAUXSZNWQHLDB-UHFFFAOYSA-N 311.309 2.751 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN1c2ccccc2CC[C@@H]1C 7217817 OZPRPKLAUVNBSE-LBPRGKRZSA-N 312.417 2.817 0 40 DFAB Cc1cccc2nc(CN3CCC[C@H]3c3cccn3C)cc(=O)n12 7853368 MDBIUVIZCDKDAU-KRWDZBQOSA-N 322.412 2.679 0 40 DFAB CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)c1 90801835 LHTCVZBZKPQNSX-KBXCAEBGSA-N 324.428 2.970 0 40 DFAB COC(=O)[C@@H]1CCCN1Cc1nc2ccccc2n1C(F)F 96415694 VEKFXCPPGZJLAE-LBPRGKRZSA-N 309.316 2.569 0 40 DFAB CN(Cc1ccccc1)C(=O)c1cn(C)c2ccc(F)cc2c1=O 22236381 QOAIGBIWIUUIAK-UHFFFAOYSA-N 324.355 2.950 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 81645415 RCLAJFLUDWJMRP-YCPHGPKFSA-N 312.413 2.785 0 40 DFAB O=C([C@@H]1CCOC1)N(Cc1cccc(Br)c1)C1CC1 69342998 QSNRXOURSIMSNU-GFCCVEGCSA-N 324.218 2.977 0 40 DFAB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2 17028650 MAGZUPKRSWAPJT-AWEZNQCLSA-N 305.337 2.706 0 40 DFAB C[C@H]1CCc2sc(C(=O)NC3CCC(C(N)=O)CC3)cc2C1 69414373 YNMVNJULDGDIBK-ZBOXLXRLSA-N 320.458 2.647 0 40 DFAB CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)[C@@H](c2ccccc2)C1 71834969 JRWPXOXPHIMCJD-GVDBMIGSSA-N 310.397 2.898 0 40 DFAB COc1ccc2oc(C)c(C(=O)NCCN(C)C(C)C)c2c1 69537396 BBYPYXZXHAMWOF-UHFFFAOYSA-N 304.390 2.820 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC=CCC2)c(C(=O)NC2CC2)c1 71883076 QHAUUYALJSVSJF-LBPRGKRZSA-N 314.385 2.882 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)ccc1F 69897843 KUPTYZWWAUAMOD-MRXNPFEDSA-N 318.392 2.751 0 40 DFAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CC(F)(F)F 69870198 ACKFROLIVXRKPX-UHFFFAOYSA-N 320.286 2.954 0 40 DFAB COc1cc(C(=O)NOCc2ccccc2)cc(OC)c1OC 8776623 AVKOTSSGPDMQJY-UHFFFAOYSA-N 317.341 2.574 0 40 DFAB CCO[C@@H]1C[C@H](N(C)Cc2cc(=O)c(O)co2)C12CCCCC2 98013276 AKYNVEFIWXWNNV-DLBZAZTESA-N 321.417 2.905 0 40 DFAB COc1ccccc1[C@@H](N[C@@H]1CCSC1)c1noc(C)n1 95991403 ZKOAUHRKLLCINL-BXUZGUMPSA-N 305.403 2.571 0 40 DFAB CC(=O)NC[C@H]1CCCN([C@H](C)CCc2cccc(F)c2)C1 97084199 MNBHNHRHTMOSGU-RHSMWYFYSA-N 306.425 2.995 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72298815 ZJAMLJVHROLHPO-CHWSQXEVSA-N 304.419 2.615 0 40 DFAB CC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 72274657 MXGKFAIGFPOWOA-AWEZNQCLSA-N 310.353 2.899 0 40 DFAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)cc1 67898683 NJDOFKAGKPOMPL-INIZCTEOSA-N 323.400 2.682 0 40 DFAB biogenic,in-vitro CCCCO[C@H](C)C(=O)Nc1cncc(Br)c1 95975559 RRXDCIBDXOHWLW-SECBINFHSA-N 301.184 2.988 0 40 DFAB COc1cc(C(=O)NCc2cccn2C)cc(Cl)c1OC 72304615 URPOLSRGPNAATJ-UHFFFAOYSA-N 308.765 2.626 0 40 DFAB CN(Cc1nnc(Cc2ccccc2)o1)C1CCC(CO)CC1 95965812 HGGQQYXOIVCRFS-UHFFFAOYSA-N 315.417 2.643 0 40 DFAB C[C@H](CNC(=O)N(C)[C@H](C)c1ccco1)CC1(C)OCCO1 89895127 OKAPPNBMSFDTBT-QWHCGFSZSA-N 310.394 2.771 0 40 DFAB CC(C)NC(=O)[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306138242 RTBLQFRQHFNVNB-LBPRGKRZSA-N 301.365 2.845 0 40 DFAB CCOc1cccc(CNC(=O)[C@@H]2COc3ccccc3O2)c1 30755347 QZGLQNDERJPXBA-KRWDZBQOSA-N 313.353 2.542 0 40 DFAB COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(CC(=O)O)n2c1 35051320 OKWRTEAEZIXBEW-UHFFFAOYSA-N 324.336 2.723 0 40 DFAB in-vitro O=C(Nc1nncs1)c1ccc(Cl)cc1N1CCCC1=O 21216373 QQHPFOCPNIMAPP-UHFFFAOYSA-N 322.777 2.571 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)Cc2cccc(C)c2)cc1 72331131 SLBOBNYTBHTHLN-UHFFFAOYSA-N 311.381 2.706 0 40 DFAB O=C(c1cnn(Cc2ccccc2)c1)N(CC(F)F)C1CC1 78610865 MILDCZBNZVIBAU-UHFFFAOYSA-N 305.328 2.801 0 40 DFAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCC1 216308745 SVULVENTKOYXAG-KRWDZBQOSA-N 304.434 2.755 0 40 DFAB Cc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccn2)n1 72378622 XDCSWLJBMLZRFX-KRWDZBQOSA-N 320.400 2.703 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccncc2)cs1 79481107 ZAJICFLXWDDCDU-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@@H]1CCCNCC1 566099820 ZLOLDQWAELUUHU-OAHLLOKOSA-N 313.401 2.864 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1 72538249 IMNISLIQGCDNMY-UHFFFAOYSA-N 311.428 2.968 0 40 DFAB COc1cccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 74934532 NYPNFXMLHNHGSR-UHFFFAOYSA-N 323.370 2.513 0 40 DFAB COc1ccc(-c2cc(CC3(NC4CCC4)COC3)no2)cc1 72321950 RGUFXTUYRMZZPR-UHFFFAOYSA-N 314.385 2.804 0 40 DFAB biogenic,in-vitro CC(=O)N1CCC[C@@H]1C(=O)N1CC=C(c2ccc(C)cc2)CC1 71804326 CYXOMQRMAOGYSB-GOSISDBHSA-N 312.413 2.622 0 40 DFAB Cc1cccc(S(=O)(=O)N[C@@H](C)CN(C)c2ccccc2)c1 48313176 JUXOTRKYYOZBKX-HNNXBMFYSA-N 318.442 2.798 0 40 DFAB Cc1c(CNC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cnn1C 569810272 NWCXFNIIPPHVOD-KRWDZBQOSA-N 313.401 2.634 0 40 DFAB Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)OCc1ccccc1 82048645 FKOQVLSTVAVHGR-UHFFFAOYSA-N 308.337 2.831 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 41122276 IXPOTPFHFSCZBU-CYBMUJFWSA-N 319.792 2.980 0 40 DFAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H](C)c2cc(C)oc2C)C1 194928952 QOCXVWWSIZKHPS-WCFLWFBJSA-N 308.378 2.598 0 40 DFAB Cc1ccccc1OCC(=O)NCCc1ccc([C@@H](C)O)s1 225687169 ZDJLPYWBPVBZNI-CYBMUJFWSA-N 319.426 2.848 0 40 DFAB COc1cccc2ncnc(N3CCN(Cc4ccco4)CC3)c12 571794084 IPKCFKQOTLTJAW-UHFFFAOYSA-N 324.384 2.554 0 40 DFAB CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccc2c(c1)C[C@H](C)O2 572060299 OAUNNRABVMOSCC-FZMZJTMJSA-N 305.374 2.581 0 40 DFAB CCOCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)cc1 81638149 MFPSNSLCSCYGRS-HOCLYGCPSA-N 306.406 2.896 0 40 DFAB C[C@H]1CCCCN1C(=O)CCNC(=O)c1ccccc1Cl 44790687 UJUZFKWFPBPLMV-LBPRGKRZSA-N 308.809 2.861 0 40 DFAB CN(C)C(=O)c1ccc(CN2CCOc3c(Cl)cccc32)[nH]1 191968252 NVRLPJSRVVLTAK-UHFFFAOYSA-N 319.792 2.769 0 40 DFAB C[C@H]1c2ccccc2CN1C(=O)[C@@H](C)n1nnnc1C(C)(C)C 331747204 DFZXXXKNOSIEMM-NWDGAFQWSA-N 313.405 2.635 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c(C)c1C 223216857 CGTGHSOJXQLVCL-UHFFFAOYSA-N 323.389 2.930 0 40 DFAB O=C(OCc1ccsc1)c1cc(N2CCNC2=O)ccc1F 96442684 JBPIFTPTSHOPQA-UHFFFAOYSA-N 320.345 2.774 0 40 DFAB CC(C)N1CCC2(CC1)CO[C@@H](COCc1cccnc1)C2 96106144 DNGZRWKRJRDIMK-QGZVFWFLSA-N 304.434 2.878 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NC[C@@H](O)c1ccsc1 96417787 SYOQYNGOVVMCEF-XHDPSFHLSA-N 322.405 2.851 0 40 DFAB COC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 93151810 IZIWKFLVSVFMLJ-ZJUUUORDSA-N 318.826 2.519 0 40 DFAB COc1ccc(OC(F)F)c(CN2CCC[C@](C)(CO)C2)c1 93340846 ACDOCDZLVKGBHZ-INIZCTEOSA-N 315.360 2.891 0 40 DFAB CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(F)cc1Cl 96450900 LLEIKRUUBHBPAV-CQSZACIVSA-N 301.745 2.941 0 40 DFAB COc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)cc1 96446476 RNAVKGZUXZSCIP-UHFFFAOYSA-N 317.307 2.879 0 40 DFAB COCc1nc2n(n1)C[C@H](N[C@H](C)[C@@H]1CC3CCC1CC3)CC2 583650829 CGQOVAUJKYJMQN-WCMAUXFHSA-N 318.465 2.544 0 40 DFAB CN(Cc1cnc2ccc(Br)cn12)CC(F)F 92508838 QNBCNEGEDUXXMN-UHFFFAOYSA-N 304.138 2.794 0 40 DFAB Cc1c(NC(=O)N(CCO)C(C)C)cnn1-c1ccccc1F 97375184 NUNQYZXJKCXKNN-UHFFFAOYSA-N 320.368 2.554 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@@]1(O)CCSC1 96447302 GUHDIODVMBKKOQ-HNNXBMFYSA-N 322.455 2.569 0 40 DFAB O=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(F)cc1 96099037 VMQPAXRQGMYEHN-UHFFFAOYSA-N 316.258 2.863 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)no1 257334644 YGUKGHDNCHOPCO-LBPRGKRZSA-N 302.378 2.678 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)CCc2cccs2)n1 257260155 LBNGDLSZEKHPIE-AWEZNQCLSA-N 316.430 2.876 0 40 DFAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCNCC2)c1 257237694 HHQIPPYICUWBOH-QGZVFWFLSA-N 302.418 2.690 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2ccccn2)C1 257237986 HJCHDGPCXHHKQN-AWEZNQCLSA-N 311.385 2.580 0 40 DFAB CCOCC[C@H]1CO[C@H]2CN(C(=O)c3cccc(C)c3)C[C@@H]12 575403618 IPPHKEOXAPXDKU-ULQDDVLXSA-N 303.402 2.509 0 40 DFAB O=C(N1CCC[C@@H](c2cnccn2)C1)C1(c2ccccc2)CC1 585180220 LYDFJTOZYLYTLW-OAHLLOKOSA-N 307.397 2.914 0 40 DFAB COc1nc(C)ccc1C(=O)N1CCOC[C@@H]1c1ccccc1 679032768 HQGKNBPQLRPUHT-MRXNPFEDSA-N 312.369 2.612 0 40 DFAB Cc1c(NC(=O)NCCn2ccnc2)cccc1OC(F)F 71854989 YYODNRYSFFLNDI-UHFFFAOYSA-N 310.304 2.615 0 40 DFAB COCCNC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)C)c1 71794714 CCZQOMUGXXFPCQ-UHFFFAOYSA-N 312.797 2.701 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(C)s2)c(=O)[nH]1 75122561 DGMJGOWBVZUFSN-GFCCVEGCSA-N 319.430 2.922 0 40 DFAB O=C(C1CCCC1)N1CC(c2nc(Cc3ccccc3)no2)C1 75156402 RYHVRLFAJDIWFR-UHFFFAOYSA-N 311.385 2.776 0 40 DFAB COc1ncc(Br)cc1CNC(=O)OC(C)(C)C 197845840 UBJLVGVELDIIMA-UHFFFAOYSA-N 317.183 2.877 0 40 DFAB Cc1cc(C(=O)NCc2cc(-c3ccccn3)nn2C)c(C)o1 1775966103 PLVQGTOHBMQRDI-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CNCC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 153846416 HOJUWGMKIVJVLY-UHFFFAOYSA-N 310.397 2.514 0 40 DFAB COCCCNc1nc(Cl)nc2cc(OC)c(OC)cc12 11756106 UBNVWYFYFNIWLL-UHFFFAOYSA-N 311.769 2.749 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 19309970 VXUHESPIEHDYCZ-AAEUAGOBSA-N 321.446 2.507 0 40 DFAB CC(=O)C[C@H]1OC(=O)C(Oc2ccccc2)=C1Br 354651 CVRDYHQXEJUWBH-SNVBAGLBSA-N 311.131 2.576 0 40 DFAB O=C(CC1CCCC1)NCC1CCN(c2cccnc2)CC1 225654407 GNYMSNNLGLCCEM-UHFFFAOYSA-N 301.434 2.995 0 40 DFAB Brc1cnccc1N1CC(N2C[C@H]3CCC[C@H]3C2)C1 2298042575 QEEYXVMFYYNSMP-TXEJJXNPSA-N 322.250 2.765 0 40 DFAB CN1N=C(C(=O)Nc2cccc(OC3CCCC3)c2)CCC1=O 31206633 SRRORJIQWMFFCF-UHFFFAOYSA-N 315.373 2.555 0 40 DFAB O=c1c(-c2nnnn2-c2ccc(Cl)cc2)c[nH]c2ccccc12 119428 IHEXYYYAGLGSIJ-UHFFFAOYSA-N 323.743 2.824 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cn1 40508648 OERZCYGTKLPZFH-UHFFFAOYSA-N 319.368 2.857 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 20732163 SIWWPBAPGIXOCA-PBHICJAKSA-N 309.369 2.548 0 40 DFAB O=C(Nc1cccc2cn[nH]c12)[C@H]1CC(=O)N(c2ccccc2)C1 32817018 XNHXWSWIOFRLMN-ZDUSSCGKSA-N 320.352 2.555 0 40 DFAB CONC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 32882417 IOGVPJYKENPSLP-UHFFFAOYSA-N 303.337 2.572 0 40 DFAB Cc1ccccc1CN1CCN(C(=O)Nc2cccnc2)CC1 53250061 QMINYKHOZJMLHY-UHFFFAOYSA-N 310.401 2.740 0 40 DFAB Cc1[nH]c(C(=O)Nc2ncccc2O)c(C)c1C(=O)OC(C)C 22263836 RHUBLTJHIJXRFN-UHFFFAOYSA-N 317.345 2.550 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc[nH]1 47274799 XCCSKBWQXXFBAU-AWEZNQCLSA-N 313.357 2.790 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1CCOC(C)(C)C1 61721314 LTZSFFACPJCYTA-LBPRGKRZSA-N 319.430 2.930 0 40 DFAB Cc1nc(C)c(CCNC(=O)N[C@H](C)c2ccncc2)s1 78714663 ZGQQFGOKAYWAER-SNVBAGLBSA-N 304.419 2.758 0 40 DFAB CC1(C)[C@@H](OC(=O)c2ccc(N3CCCC3)nc2)[C@H]2CCO[C@H]21 97141514 PWHMKWPSSRTUNM-IMJJTQAJSA-N 316.401 2.652 0 40 DFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccsc1 78800656 GCEUDHNIHTXQRZ-MRXNPFEDSA-N 316.426 2.551 0 40 DFAB CN(CC1CCC1)C(=O)NCc1cc(F)cc2c1OCOC2 78925523 UFVNCRMZZGCCDM-UHFFFAOYSA-N 308.353 2.634 0 40 DFAB NNc1c(Cl)cc(S(=O)(=O)C(F)(F)F)cc1Cl 2540250 MENZSUIQLCICJX-UHFFFAOYSA-N 309.096 2.573 0 40 DFAB O=C(NCCCc1ccccc1)C(=O)Nc1ccc(F)cc1F 4583676 YWVWNUUXDLBTQV-UHFFFAOYSA-N 318.323 2.652 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)NCCCNc1ncccn1 42757421 LIHMBGMDLYHOJH-UHFFFAOYSA-N 323.400 2.509 0 40 DFAB C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C[C@@H](C)O1 54847560 XLAILGDXAJFEAZ-VXGBXAGGSA-N 319.792 2.775 0 40 DFAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1cccs1 7726594 VBDGGCBOTDQEHQ-UHFFFAOYSA-N 322.411 2.676 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Sc2ncc3ccccn23)no1 12532209 BOHXUEKIPAFJAH-JTQLQIEISA-N 302.359 2.750 0 40 DFAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccsc1 24985383 PUTVICPWQOMXPF-HNNXBMFYSA-N 314.410 2.920 0 40 DFAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 106517982 KGAXPONENXRVAD-VWPFQQQWSA-N 319.401 2.679 0 40 DFAB CC(C)CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 1456747 CWAUQMIICHPJCM-UHFFFAOYSA-N 308.809 2.671 0 40 DFAB O=C(CN1Cc2ccccc2[C@H](c2ccccc2)C1)NC1CC1 25397296 QTOYDDHPNQNRAX-IBGZPJMESA-N 306.409 2.913 0 40 DFAB O=C(NCCCn1ccnc1)Nc1nc2c(s1)CCCCC2 43606138 DWAVGPHFIKLMRC-UHFFFAOYSA-N 319.434 2.820 0 40 DFAB CCOC(=O)C1=C(c2ccccc2)N2CCCC(=O)N=C2S1 26421211 RVJIHCZWAJKZBX-UHFFFAOYSA-N 316.382 2.644 0 40 DFAB CCOC(=O)CC(=O)CSc1nnc(-c2ccccc2)s1 1791864 QLVYNOMQVVTXEP-UHFFFAOYSA-N 322.411 2.820 0 40 DFAB O=C(Nc1ccccc1CN1CCOCC1)NC1CCCCC1 48146806 MEMIMTDMUJCAHL-UHFFFAOYSA-N 317.433 2.973 0 40 DFAB O=C(CCc1ccc2c(c1)OCCO2)Nc1nc2ccccc2[nH]1 10163995 PZNLAIOHROTJAH-UHFFFAOYSA-N 323.352 2.905 0 40 DFAB Cc1ncsc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 44939793 MUMIFUQJJQQLKS-ZDUSSCGKSA-N 301.415 2.708 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H]1c1cccs1 44969775 XCMGQZLCYLWLHZ-STQMWFEESA-N 304.419 2.880 0 40 DFAB Clc1snnc1CSc1nnc2n1CCCCC2 12771505 NDKUGFLXWJISOC-UHFFFAOYSA-N 301.828 2.802 0 40 DFAB C[C@H](Sc1nnnn1-c1ccccc1)c1nc(C2CC2)no1 53316735 PQKDHJXWUOEZEB-VIFPVBQESA-N 314.374 2.776 0 40 DFAB CN(C)C(=O)NC1CC2(CCN(Cc3ccsc3)CC2)C1 108535969 PDXDIMUZKPFHFV-UHFFFAOYSA-N 307.463 2.764 0 40 DFAB Cc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3[nH]2)cc1 11866570 BKGOJOSNDGTXTG-UHFFFAOYSA-N 321.380 2.636 0 40 DFAB C[C@@H](C1CC1)N(C)C(=O)CCc1nc(-c2cccs2)no1 48326213 BNHIJFBLMUCPDB-JTQLQIEISA-N 305.403 2.988 0 40 DFAB Cn1cnnc1Sc1ccc(NC(=O)C2CC2)cc1Cl 60330497 DDCMJCNHCIWJHE-UHFFFAOYSA-N 308.794 2.968 0 40 DFAB C1CCN2C[C@@]34C[C@H](C[C@H]5CCCN([C@@H]53)[C@@H]3CCC[C@@H]4N3)[C@@H]2C1 102939651 MRLGBUWOAFGOBH-OSIAAWHGSA-N 315.505 2.813 0 40 DFAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cnccn1 2772253 TZNYTAFLMZPEQZ-UHFFFAOYSA-N 311.124 2.823 0 40 DFAB C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCCn2cccn2)C1 174946989 BAJSTHUXPWXDHT-CZUORRHYSA-N 316.380 2.815 0 40 DFAB COc1ccccc1C(=O)NCC(=O)Nc1c(C)cccc1C 3448370 AYRYHAYYIKWFGV-UHFFFAOYSA-N 312.369 2.681 0 40 DFAB Cc1nc(Cn2cnc3scc(-c4ccccc4)c3c2=O)no1 12933799 QSKQAVLKQKNNLP-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc2c(c1)CCO2 65476867 WIRMNQFLWXPGRH-LBPRGKRZSA-N 314.433 2.580 0 40 DFAB COc1c(CN[C@H](C)Cn2nc(C)cc2C)c(C(C)C)nn1C 65474713 LIFWSMNCVALVGZ-CYBMUJFWSA-N 319.453 2.544 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](n2cccn2)C1 65608617 CZTBXZMGLHMFRA-MRXNPFEDSA-N 321.384 2.546 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2C(C)C)c1C 5416798 KTPYDTUYAQEJNF-UHFFFAOYSA-N 320.418 2.982 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Oc3ccccc3)cc2)CN1 14632561 ZWCLZCMRVUPRJD-IRXDYDNUSA-N 313.353 2.761 0 40 DFAB O=C1C[C@H](c2nc(-c3ccncc3)no2)CN1c1ccc(F)cc1 9318154 YOOZWILQTGFGCH-LBPRGKRZSA-N 324.315 2.791 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)CCc3cscn3)C2)n[nH]1 84110478 GNVIJWVVAMCDCC-LBPRGKRZSA-N 304.419 2.513 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C 5704669 XPMDZDYRTVPYGE-LBPRGKRZSA-N 318.295 2.684 0 40 DFAB O=C(NCCSCc1ccccc1)c1ccc2[nH]nnc2c1 9367065 VJZHPIUNUJWYIC-UHFFFAOYSA-N 312.398 2.621 0 40 DFAB CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCC2 66947247 DDEBTYOTKKDQJI-GOSISDBHSA-N 300.446 2.661 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1Cc2ccccc2O1 7116662 PLJGFQCSSCHMGR-QGZVFWFLSA-N 322.364 2.756 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)c1cc(=O)[nH]c2ccccc12 16045402 ONGXZDOMVDBKBP-UHFFFAOYSA-N 310.328 2.939 0 40 DFAB Cc1cccc(NC(=O)CSCC(=O)NCc2ccco2)c1 8180731 SYCRMXRFBLXGEL-UHFFFAOYSA-N 318.398 2.576 0 40 DFAB Cn1cc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cn1 97058093 BVIIMMKWRUWHMB-LLVKDONJSA-N 319.233 2.732 0 40 DFAB COCCN(Cc1noc(C)n1)Cc1ccc(F)cc1Cl 69563058 ZBCQJFDAZPTERI-UHFFFAOYSA-N 313.760 2.819 0 40 DFAB Cc1ccc(C(=O)NCCCNC(=O)c2cccs2)c(C)c1 69653691 JXAXRMDJLWGROZ-UHFFFAOYSA-N 316.426 2.915 0 40 DFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1nccs1 8735441 KNQWBBGUZBYBIE-LBPRGKRZSA-N 309.435 2.803 0 40 DFAB C[C@H](NC(=O)NC1CCN(C)CC1)c1nc(C(C)(C)C)cs1 72270036 PYPGHSLTDTYYIZ-NSHDSACASA-N 324.494 2.895 0 40 DFAB C[C@H]1SCCN(C(=O)Nc2ccc(C(F)(F)F)nn2)[C@@H]1C 97164558 LFMKXZKGVIKIFV-HTQZYQBOSA-N 320.340 2.853 0 40 DFAB CCc1nc(C)ncc1C(=O)N[C@@H](C)COc1ccccc1F 95398461 AWOIKOJWMUVXNQ-NSHDSACASA-N 317.364 2.684 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2csc(-c3ccccn3)n2)n1 95467879 FFMHRTRZXBQPQC-UHFFFAOYSA-N 313.386 2.657 0 40 DFAB COc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1 95444313 CMEYMFNSFDPJLC-UHFFFAOYSA-N 316.741 2.684 0 40 DFAB Cc1cc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)on1 95476599 HEXCMGMLMXAGBB-UHFFFAOYSA-N 301.306 2.955 0 40 DFAB COCCn1ccc(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)n1 88378275 QVBVNWKOXIXEOW-GFCCVEGCSA-N 320.368 2.860 0 40 DFAB CO[C@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)C(C)(C)C 95984042 VIHFPXIFZILRBJ-ZIAGYGMSSA-N 322.453 2.934 0 40 DFAB O=C(c1ccnn1C1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 95967299 CDSJLKNOWZOOLP-GDBMZVCRSA-N 303.406 2.782 0 40 DFAB Cc1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)c(=O)[nH]1 75118378 ZUQIHMSFEUVWID-CQSZACIVSA-N 314.385 2.581 0 40 DFAB O[C@H](COCc1cccs1)CN1CCC[C@@H]1c1ccc[nH]1 89767983 WSVZBBIZULTBMQ-XJKSGUPXSA-N 306.431 2.791 0 40 DFAB Cc1nccn1CCCN(C)c1ccc(Br)cn1 89735656 BODWBQKTAJSOHQ-UHFFFAOYSA-N 309.211 2.876 0 40 DFAB Cc1nnc([C@@H]2CCCN2CCC(=O)Nc2cccc(F)c2)o1 89736283 DYICSVUOJDAMFE-AWEZNQCLSA-N 318.352 2.683 0 40 DFAB CCN(CCNC(=O)N[C@H](c1ncc(C)s1)C1CC1)C1CC1 89969205 NEPTTYGWXZDDSX-AWEZNQCLSA-N 322.478 2.686 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3sccc3C)cc12 25012629 VFFLVCXYIVHCNV-UHFFFAOYSA-N 315.354 2.972 0 40 DFAB O=C(CCCNC(=O)c1cc2ccccc2[nH]1)Nc1ccccn1 20744386 WXNMZVQYTPZUMO-UHFFFAOYSA-N 322.368 2.712 0 40 DFAB CC(C)(C)C1=Nn2c(nnc2-c2[nH]nc3c2CCC3)SC1 5075223 GIZWZZKWNAZVAX-UHFFFAOYSA-N 302.407 2.513 0 40 DFAB COc1cc(N[C@H](C)CCCNC(C)=O)c2ncccc2c1 5141697 YVURERLGLAYCCQ-GFCCVEGCSA-N 301.390 2.960 0 40 DFAB biogenic CCCN1CCO[C@@H](COc2cccc(Br)c2)C1 217497916 BLZHQVBEYZCRFV-CQSZACIVSA-N 314.223 2.939 0 40 DFAB C[Si](C)(C)c1c(F)ncc(I)c1F 217337650 URDDTQDYUOGNQG-UHFFFAOYSA-N 313.161 2.510 0 40 DFAB COCCc1noc(-c2cnn(-c3ccccc3F)c2C)n1 78774100 QCVOQFZYQASFIW-UHFFFAOYSA-N 302.309 2.559 0 40 DFAB CC(C)COC(=O)c1cc(I)ccc1N 39951622 SKRPMRYFGQHYFO-UHFFFAOYSA-N 319.142 2.686 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)NCCCS(C)(=O)=O 79028658 WWXQVBASHNJGNW-UHFFFAOYSA-N 312.435 2.540 0 40 DFAB Cc1cc(C)nc(-n2cc(C(=O)OC3(C4CC4)CC3)c(C)n2)n1 83770939 MMUQFNJMOOLMIU-UHFFFAOYSA-N 312.373 2.687 0 40 DFAB Cc1cc(C)n(C[C@@H](O)COc2cccc(C(F)(F)F)c2)n1 195578480 PKVCGNKDAUHEGB-CYBMUJFWSA-N 314.307 2.959 0 40 DFAB COc1ccnc(N2CC[C@H](c3nnc(-c4ccccc4)o3)C2)n1 49171289 VCUQQPXKULJJDS-ZDUSSCGKSA-N 323.356 2.529 0 40 DFAB biogenic,in-vitro O=C(NC1CCCCC1)NC1CCN(Cc2ccccn2)CC1 42862290 BNBWLTTYNXGFOZ-UHFFFAOYSA-N 316.449 2.678 0 40 DFAB O=C(Nc1cnc2ccnn2c1)c1cccc(Br)c1 225573189 PYVBXJNLNMZOQE-UHFFFAOYSA-N 317.146 2.744 0 40 DFAB Cn1cccc1CN1CC2(CCN(Cc3ccsc3)C2)C1 96202751 WQVGSFAIUUNTTR-UHFFFAOYSA-N 301.459 2.795 0 40 DFAB CCc1ccc(CN2C[C@@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)o1 96041217 YKNRAGDAWVLWNG-APHBMKBZSA-N 317.389 2.680 0 40 DFAB CC(C)[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1ccccn1 96413639 XRNKCEQROWURNU-HNNXBMFYSA-N 315.348 2.673 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](Oc2ccccn2)C1 95418698 QAUGPWBEBMDAON-GVDBMIGSSA-N 308.381 2.865 0 40 DFAB O=C(c1cccnc1)N1CCC[C@]2(CCN(c3ccccn3)C2)C1 96158150 WQGMXJBSPDVBNH-LJQANCHMSA-N 322.412 2.609 0 40 DFAB CC(=O)c1c(F)cccc1N1CCC[C@H](CN2CCOCC2)C1 96429481 ZORVXNKUBQGEQV-OAHLLOKOSA-N 320.408 2.577 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)NCC2(O)CCCCCC2)c1 96411850 MIODUGITIWZVCN-QFIPXVFZSA-N 324.446 2.631 0 40 DFAB COC(=O)[C@H](NCc1csnn1)c1ccc2ccccc2c1 97102475 JKXVMHGMKTZCLX-OAHLLOKOSA-N 313.382 2.695 0 40 DFAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106613 GQMVXWPGOPWLHJ-OAHLLOKOSA-N 319.401 2.778 0 40 DFAB Cc1cc(CN(c2ccccc2F)S(=O)(=O)C(C)C)no1 90990845 SREJJCOSFHSJIN-UHFFFAOYSA-N 312.366 2.867 0 40 DFAB O=Cc1ccc(I)c(Br)c1 91664874 VAVSECWDLQMKNS-UHFFFAOYSA-N 310.916 2.866 0 40 DFAB CN(C)[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1 96200977 VYLFZJYQPYFYRW-SJORKVTESA-N 301.459 2.890 0 40 DFAB c1cc2n(n1)[C@@H](CCN1CCCC1)CN(Cc1ccsc1)C2 247947835 IZBWUVGXTMTILK-KRWDZBQOSA-N 316.474 2.987 0 40 DFAB C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2noc3ccccc23)[C@@H]1C 529516764 JUXGUWBRGHZWHO-JBBSTSQOSA-N 302.374 2.546 0 40 DFAB c1nc(CN2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c[nH]1 257326096 WVUPRUNEOUUFSQ-HNNXBMFYSA-N 311.385 2.847 0 40 DFAB CNc1cnc(C[C@@H]2CCCN(Cc3cc(C)on3)CC2)cn1 257291283 QGIYKTYHXXDGFF-CQSZACIVSA-N 315.421 2.660 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)n1 257294494 QUKQFBNNEBMPPA-MRXNPFEDSA-N 318.380 2.963 0 40 DFAB O=C(C1CCC1)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257219249 DGDLSZAXOITXRY-HNNXBMFYSA-N 312.413 2.986 0 40 DFAB O=C(O)c1cc2cc(Cl)cc(Br)c2oc1=O 158468 PATFNWFBOLWPKS-UHFFFAOYSA-N 303.495 2.907 0 40 DFAB COCCN1CCC[C@H](c2cccc(-c3cnc(C)n3C)n2)C1 257301628 RZEKXGQRFGRHPQ-HNNXBMFYSA-N 314.433 2.616 0 40 DFAB CO[C@@H]1CSC2(C1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 575406550 YXESDZDNRDSTMZ-RDVIWEACSA-N 321.486 2.936 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@H](C)c1ncccc1F 585141897 IAJCDDZMCAWJRB-LLVKDONJSA-N 308.378 2.823 0 40 DFAB O=C(CCc1ccco1)N[C@@H]1CCCN(c2ccccc2)C1=O 71907577 AKYCIWSJYHLXSD-MRXNPFEDSA-N 312.369 2.524 0 40 DFAB COc1ccccc1CNC[C@H]1CCN(CC(F)(F)F)C1 37648383 GGVLAWVSQYLWFO-GFCCVEGCSA-N 302.340 2.669 0 40 DFAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1c1cccs1 73387276 DDNQUABGNFNBAH-VXGBXAGGSA-N 302.403 2.702 0 40 DFAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc[nH]c1=O 84357996 QYARJAZIIVJUQH-UHFFFAOYSA-N 302.761 2.838 0 40 DFAB CCc1nc2c(s1)[C@H](N(C)C(=O)c1csnn1)CCC2 89295752 BVHNEWLLCFDRIK-SNVBAGLBSA-N 308.432 2.707 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)c12 169680650 WTPPIYXLOBATQA-IMJJTQAJSA-N 310.397 2.978 0 40 DFAB COc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)oc(=O)c1 1563700 HWIYTKPJFKWVRE-AATRIKPKSA-N 318.325 2.845 0 40 DFAB Cc1ccc(C(=O)O)c(OCCN(C)C(=O)OC(C)(C)C)c1 616577689 HYVWQABWDRNXID-UHFFFAOYSA-N 309.362 2.939 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N1CCN(c2nccs2)CC1 10669495 CPDPHCGBJIZJIL-ZZXKWVIFSA-N 317.389 2.644 0 40 DFAB COc1ccccc1CNC(=O)c1ccc2nc(C3CC3)cn2n1 1888906698 QWRKJUNJIVCCFC-UHFFFAOYSA-N 322.368 2.545 0 40 DFAB CCc1ncnc(N2CC[C@@H](COc3ccc(F)cn3)C2)c1F 1889101133 WOVXQKLNUFGTHM-LLVKDONJSA-N 320.343 2.618 0 40 DFAB CCOC(=O)N1CCc2nc3cc4c(cc3c(C)c2C1)OCO4 24513200 ZVHIHFNXERQBBS-UHFFFAOYSA-N 314.341 2.787 0 40 DFAB FC(F)(F)c1nnc2sc(-c3ccc4[nH]cnc4c3)nn12 78547541 ONDGQUUARLKQCK-UHFFFAOYSA-N 310.264 2.748 0 40 DFAB O=C(N1CC[C@@]2(C[C@@H](Nc3ccccc3)CO2)C1)C1(F)CCC1 1565547338 PXAFUGABZKVUON-NVXWUHKLSA-N 318.392 2.751 0 40 DFAB CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C 4148097 VIKNSRJCTKNKCE-UHFFFAOYSA-N 320.443 2.742 0 40 DFAB aggregator COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2)cc1 100143624 WBUMITSKYQMOTM-IUODEOHRSA-N 306.369 2.754 0 40 DFAB CSc1ncccc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 40107580 BWOXEGYAVOMSBA-CHWSQXEVSA-N 307.463 2.511 0 40 DFAB O=C(Nc1cccnc1N1CCCC1)[C@H]1COc2ccccc2C1 40142229 DFACWIOUOUFQCV-OAHLLOKOSA-N 323.396 2.872 0 40 DFAB COCCn1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)ccc1=O 31564072 KCLVQHPBFBFBPI-HOCLYGCPSA-N 318.417 2.672 0 40 DFAB CC(C)C[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)N(C)C 40536287 CZKXTQLGDMTPNK-ZDUSSCGKSA-N 314.788 2.712 0 40 DFAB CCN(C(=O)/C=C/c1ccc(OC)cc1OC)[C@H](C)COC 40500966 XDDMXEBSIAIDMF-AORWBKJGSA-N 307.390 2.600 0 40 DFAB CC1CCN(C(=O)COC(=O)c2ccc(F)c(Cl)c2)CC1 51354010 FGZFKTAXCKFBEC-UHFFFAOYSA-N 313.756 2.894 0 40 DFAB C[C@@H]1C(=O)N(CC(=O)C(C)(C)C)C(=O)N1c1ccc(F)cc1 21267013 BUCHOZYEPGACKA-SNVBAGLBSA-N 306.337 2.598 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)N(C)C1CCCCC1 32770490 QURZFEPPBBCWSL-CYBMUJFWSA-N 308.447 2.947 0 40 DFAB CCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1 22037665 NITWHXYORYZHGR-UHFFFAOYSA-N 301.217 2.814 0 40 DFAB COc1ccc(NC(=O)Nc2nc(C)cc(C)n2)c(OC)c1 548668 YQNBMNMQJZQFBS-UHFFFAOYSA-N 302.334 2.755 0 40 DFAB C[C@@H](c1cccs1)N(C)C(=O)c1ccnc(-n2cncn2)c1 53790076 XBICMMIMPQXBIL-NSHDSACASA-N 313.386 2.557 0 40 DFAB O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCC1 417796 PHHVYPNPUWZGMG-UHFFFAOYSA-N 303.387 2.888 0 40 DFAB CCc1nnc2sc(-c3cncc(Br)c3)nn12 8990550 DKIYJMRDJFQRDJ-UHFFFAOYSA-N 310.180 2.573 0 40 DFAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@H]1CCC(=O)[C@@H]3C 1597207 KSWTVOIQZBRWIZ-ABTXLKSRSA-N 315.413 2.514 0 40 DFAB COc1ccc(C(=O)C(CN2CCCC2)CN2CCCC2)cc1 1608312 ZULWMNOTYSETMF-UHFFFAOYSA-N 316.445 2.686 0 40 DFAB C[C@H](OCCCNC(=O)/C=C/c1cnn(C)c1)c1ccccc1 23021687 JADINBXAUBYZET-FEAKQIBJSA-N 313.401 2.717 0 40 DFAB CCOc1cc2ccccc2cc1C(=O)NC(C)(C)C(=O)OC 23152179 PYDZMSQSUJJWFK-UHFFFAOYSA-N 315.369 2.920 0 40 DFAB NC(=O)c1cc(-c2csc(-c3ccccc3N)n2)ccc1O 10810519 KDJPQWPFTHKKMT-UHFFFAOYSA-N 311.366 2.864 0 40 DFAB CCCN1CCCC[C@H]1C(=O)Nc1ccc(-c2nnc[nH]2)cc1 95957457 GARBIIIOFHSHSV-HNNXBMFYSA-N 313.405 2.675 0 40 DFAB COCc1ccccc1CNC(=O)COc1ccc(F)cc1 25303361 OHOUGBRUESPFJB-UHFFFAOYSA-N 303.333 2.667 0 40 DFAB CCc1nnsc1C(=O)NCC1(c2ccccc2)CCC1 25468053 HQQNCCKGXSQECA-UHFFFAOYSA-N 301.415 2.952 0 40 DFAB CC(C)c1ccc(OCCNC(=O)N2CC[C@H]([C@@H](C)O)C2)cc1 97107846 ABZFLTOSDOAGBD-ZBFHGGJFSA-N 320.433 2.601 0 40 DFAB CCc1ccccc1NC(=O)CN(C)C(=O)N(CC)C(C)C 97141709 MOLAXLSGAHPCLG-UHFFFAOYSA-N 305.422 2.970 0 40 DFAB CCCCN(CC)C(=O)c1cn(-c2ccc(OC)cc2)nn1 57511661 DBHMOFRXPFXCON-UHFFFAOYSA-N 302.378 2.538 0 40 DFAB O=C(Cn1ccc2ccccc21)NCc1nc2ccccc2[nH]1 44442682 ZXOVSEFCGAQWMM-UHFFFAOYSA-N 304.353 2.834 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)cc1 21705651 HEAHPDLZXDUJLS-JSNVTFDYSA-N 311.385 2.806 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@H](O)c2ccccc2F)s1 44935705 DAVXDOATBOYPNE-NSHDSACASA-N 324.381 2.656 0 40 DFAB Cc1csc2nc(CN(C)c3ccccc3F)cc(=O)n12 58325566 SRWARJNFFAMEEH-UHFFFAOYSA-N 303.362 2.840 0 40 DFAB CCCC(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 58357072 ULJCTACDSUEYLT-GFCCVEGCSA-N 314.179 2.580 0 40 DFAB Cc1cc(C)c(C)c(OCCCNC(=O)c2ccnc(C)n2)c1 58343823 DZGMGUVJYUOOFV-UHFFFAOYSA-N 313.401 2.909 0 40 DFAB CC[C@H](C)n1nccc1NS(=O)(=O)c1cccc(F)c1F 58355421 GUQRXUISWDMBKZ-VIFPVBQESA-N 315.345 2.933 0 40 DFAB CC1CCN(C[C@H]2CCCN(C(=O)c3ccccc3O)C2)CC1 58404563 CMPGLPUZZRFDDJ-MRXNPFEDSA-N 316.445 2.976 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)n1cc(Br)cn1 28230529 HBPMPEKGSDXKQN-VIFPVBQESA-N 300.200 2.656 0 40 DFAB COc1ccc(OC)c(NC(=O)CNc2cccc(F)c2)c1 3399458 LJYDCRHRBVFZSA-UHFFFAOYSA-N 304.321 2.894 0 40 DFAB COC[C@H](O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1 48343323 WDHURWBIHSXZFX-OAHLLOKOSA-N 323.396 2.740 0 40 DFAB S=C(NCc1nc2ccccc2[nH]1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 103331801 WXZWWIOELKLNRR-JTNHKYCSSA-N 300.431 2.716 0 40 DFAB O=C(O)C1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1 2554400 JHEKKRPOWLXKHW-UHFFFAOYSA-N 315.295 2.674 0 40 DFAB CC(=O)NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2658180 RWGDYNRVXMHJFA-UHFFFAOYSA-N 308.687 2.824 0 40 DFAB COCc1cccc(NC(=O)COc2ccc(OC)cc2)c1 25334911 QOQNELDIPATMBV-UHFFFAOYSA-N 301.342 2.859 0 40 DFAB O=C(COC(=O)c1ccc(Br)cn1)c1ccccc1 2696553 QINSFPGHKOHYDI-UHFFFAOYSA-N 320.142 2.884 0 40 DFAB c1ccc(C(NCc2nnnn2C2CC2)c2ccccc2)cc1 37164918 OHLQPVKKTNBXIC-UHFFFAOYSA-N 305.385 2.887 0 40 DFAB O=C(Nc1ccc2nncn2c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 95992123 PNXTYSDPGYZSGH-RYUDHWBXSA-N 314.295 2.750 0 40 DFAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)ccc1O 71281955 FZSPKRQHIXEKLA-JTQLQIEISA-N 317.345 2.595 0 40 DFAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(O)cc1 9112397 HEGFUVGJNUYSDD-UHFFFAOYSA-N 307.296 2.966 0 40 DFAB CCc1nc(CCNC(=O)c2cc(F)ccc2O)sc1C 72311901 QBSOZPLGSIRSSW-UHFFFAOYSA-N 308.378 2.831 0 40 DFAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccccc1 5118396 KGTRXTVCDATCQM-UHFFFAOYSA-N 304.733 2.718 0 40 DFAB O[C@@H](CN1CCC(c2cn[nH]c2)CC1)c1ccc(Cl)cc1 65590208 XSUSPXNCMCQCGX-INIZCTEOSA-N 305.809 2.976 0 40 DFAB CCOc1cccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1OC 95457749 QAHJYHNDLWUVLD-QAPCUYQASA-N 321.417 2.522 0 40 DFAB CCc1sc(C(=O)N2CCC(c3nncn3C)CC2)cc1C 65625465 MEELWAQZQDFVPH-UHFFFAOYSA-N 318.446 2.767 0 40 DFAB COc1ccccc1C(=O)COC(=O)c1ccc(Cl)nc1 6633982 BUYWBTJSVQSZAF-UHFFFAOYSA-N 305.717 2.783 0 40 DFAB O=C(OCCc1c[nH]nc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1 84432341 XNWRBIAXCOZXII-NXEZZACHSA-N 314.263 2.911 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)Sc2cccc[n+]2[O-])cc1F 7302684 KAVQKLJWKBEKEO-LLVKDONJSA-N 306.362 2.887 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1C 71796538 JGWGGAAKDVVTOJ-OAHLLOKOSA-N 300.406 2.799 0 40 DFAB CCc1ccc([C@@H](NC(=O)[C@H]2CSC(=O)N2)C(C)(C)C)o1 81402169 SBVPPHYXRHBGRB-ZYHUDNBSSA-N 310.419 2.870 0 40 DFAB COc1cc(/C=C/C(=O)N2C[C@@H](C)OCC2(C)C)cc(OC)c1 91115276 VNGOTQJJYGPQKW-KTRBRXNASA-N 319.401 2.743 0 40 DFAB O=C1NCC[C@@H]1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 91100167 HGIIDEXTUQGMRY-AWEZNQCLSA-N 312.335 2.773 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)c1 69415606 IAHBRBDBTFLRSL-AWEZNQCLSA-N 324.384 2.739 0 40 DFAB Cc1csc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)n1 69595018 CJXPVHDXJCYNRJ-GFCCVEGCSA-N 315.398 2.535 0 40 DFAB C[C@H]1CCC[C@@H](C(=O)N(C)C2CCN(C3CCOCC3)CC2)C1 95401188 PIOPGPXQOLTIDW-JKSUJKDBSA-N 322.493 2.915 0 40 DFAB 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C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cscn1 521396198 RZRNOZPKXKPCLW-SECBINFHSA-N 300.380 2.664 0 40 DFAB C[C@H]1CN(c2ccnc(Cl)n2)CCN1C(=O)OC(C)(C)C 72203424 ITVZXUFYFLFDIH-JTQLQIEISA-N 312.801 2.576 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)NCc1cc(C)oc1C 70640479 OODJRULOWZJYMY-UHFFFAOYSA-N 316.357 2.550 0 40 DFAB CN(C)C1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 129908635 IPHWBHREAUEDSE-OLZOCXBDSA-N 308.388 2.808 0 40 DFAB COc1cccc(C[C@@H](C)NC(=O)NCc2c(C)noc2C)c1 79036296 AFUDKUIPQCZYLO-LLVKDONJSA-N 317.389 2.730 0 40 DFAB CC(C)OCCNC(=O)N1CC2(CCOCC2)c2ccccc21 189935196 KJQOKSLLLPFVIB-UHFFFAOYSA-N 318.417 2.689 0 40 DFAB CCc1nc(CN(C)Cc2ccc(OCC(=O)O)cc2)cs1 569981881 WFUMXHXSKSXDFZ-UHFFFAOYSA-N 320.414 2.801 0 40 DFAB CCOc1cccc(NC(=S)NCCCN2CCCC2)c1 225433982 AYGGAJRKVDXQJM-UHFFFAOYSA-N 307.463 2.858 0 40 DFAB COc1ccc(CC(=O)NCCOCc2ccccc2)cc1C 225144584 AGGNCWJBWPQWIU-UHFFFAOYSA-N 313.397 2.879 0 40 DFAB COc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)c(C)c1 85397398 LMWKRIKUNVLVTG-UHFFFAOYSA-N 320.370 2.713 0 40 DFAB CCOc1ccc(CNC(=O)c2cccnc2)cc1OCC 225429950 KISJMCSJLNKGGV-UHFFFAOYSA-N 300.358 2.809 0 40 DFAB CCCCc1noc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 46087206 OLFKEHVMYCESJH-CYBMUJFWSA-N 317.393 2.513 0 40 DFAB C[C@H](CNC(=O)NCc1ccc2ncccc2c1)Cn1cccn1 194077538 VRFDOGMLDCPZMB-CQSZACIVSA-N 323.400 2.567 0 40 DFAB COc1ccc([C@H](NCc2nc(C)no2)C(F)(F)F)cc1 96500236 ATSOGQSCOKJYKN-LBPRGKRZSA-N 301.268 2.780 0 40 DFAB C[C@@H](CN(C)S(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 96472561 OSDCDJZNWLSPSJ-HOCLYGCPSA-N 311.447 2.621 0 40 DFAB O=C(c1scnc1C1CC1)N1CCc2ccccc2[C@H]1CO 97097613 RSAHSOOSJLGPRS-CQSZACIVSA-N 314.410 2.752 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3OC)n2)cc1 95533715 AWAAKGIXVMVXRW-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB CC(C)C[C@H](C)OC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C 583651956 VYIUXHFAXLOUBE-RRFJBIMHSA-N 312.454 2.647 0 40 DFAB Cc1ccc2ncnc(N3CCC[C@@H](C(=O)NCC4CC4)C3)c2c1 96402334 GLKNCDAGACMDRG-OAHLLOKOSA-N 324.428 2.681 0 40 DFAB Cc1cc(S(=O)(=O)Nc2nnc(C(C)C)o2)c(C)s1 97103179 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2.640 0 40 DFAB O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@H](c2ccn[nH]2)C1 257252995 JXCYMGHMLYGCDU-KRWDZBQOSA-N 309.413 2.847 0 40 DFAB Cc1nccc(C[C@H]2CCC[C@@H]3CN(Cc4ncc[nH]4)C[C@@H]32)n1 257294283 QTKFECUMCHUMSD-BFYDXBDKSA-N 311.433 2.599 0 40 DFAB COC[C@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@H]1CCCO1 284908375 VDZFHCQWBPNTEH-AEGPPILISA-N 317.389 2.581 0 40 DFAB Cc1cc(C)cc([C@@H]2NC(=O)[C@H](c3cc(C)cc(C)c3)NC2=O)c1 390825856 JARDSIXFMTXCRQ-ROUUACIJSA-N 322.408 2.949 0 40 DFAB O=C(O)[C@@H]1CC[C@H]1C(=O)Nc1ccc(Cl)c2ncccc12 397112767 UKNWYFZCGNYOKN-RKDXNWHRSA-N 304.733 2.938 0 40 DFAB COc1c(C)ncnc1N1CCC(c2ncc(C)s2)CC1 656178952 MORSEBDRELDRNK-UHFFFAOYSA-N 304.419 2.943 0 40 DFAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)CN1CC1CC1 585099768 SHBMCULUPBCTQV-UHFFFAOYSA-N 312.413 2.551 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cs1 65924733 FEBLVVORGATPEX-MPEURRAXSA-N 319.430 2.752 0 40 DFAB Cc1noc(C)c1C(=O)NC1CCN(Cc2cccs2)CC1 95956390 OSPQGWHIAWPHPL-UHFFFAOYSA-N 319.430 2.747 0 40 DFAB C[S@](=O)C[C@H](NC(=O)c1cccnc1Cl)c1ccccc1 96445508 YBRNORQCZKIBKF-YEJXKQKISA-N 322.817 2.585 0 40 DFAB O=C(O)C1(Cc2cc(-c3cccc(F)c3)no2)CCOCC1 13265913 YTSLBALCPCNNFE-UHFFFAOYSA-N 305.305 2.905 0 40 DFAB Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937203 FNIDXTYTTOSHMQ-UHFFFAOYSA-N 305.337 2.998 0 40 DFAB NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 167207387 SCTQRRLDEZKHRH-UHFFFAOYSA-N 315.316 2.997 0 40 DFAB Cc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1C 7234718 YYLZBPXYNHQCBY-SECBINFHSA-N 300.387 2.968 0 40 DFAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cnccn1 245020858 MKQLITAZAVSTHC-UHFFFAOYSA-N 323.381 2.698 0 40 DFAB O=c1cc(N2CCCCCC2)[nH]c(=O)n1-c1ccc(Cl)cc1 252425 ZRUFOPMDXTUDQG-UHFFFAOYSA-N 319.792 2.560 0 40 DFAB O=C(NCCCc1ccccc1)C(=O)Nc1cc(F)ccc1F 5251141 HVIOCAYJZPOCNX-UHFFFAOYSA-N 318.323 2.652 0 40 DFAB COCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9136327 PGRRAMAJKPFKFL-UHFFFAOYSA-N 324.380 2.751 0 40 DFAB Cc1nn(C)cc1CN(C)C(=O)COc1ccc2ccccc2c1 12065045 FZVZRJIAWUEGSF-UHFFFAOYSA-N 323.396 2.919 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 17043001 BCYLSVHCEMKNRZ-UHFFFAOYSA-N 324.380 2.922 0 40 DFAB CCN(CC)CCn1c(S)nc2cc(Cl)ccc2c1=O 20645210 BXUWOSHGIIGZIJ-UHFFFAOYSA-N 311.838 2.680 0 40 DFAB CCCCCCN[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)O 4279944 JYFQZNOBYWOVSL-HNNXBMFYSA-N 306.406 2.947 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)c1csc2c1CC[C@@H](C)C2 40091815 IGROSDPWMKJCEM-NEPJUHHUSA-N 303.431 2.888 0 40 DFAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccn(-c2ccccc2Cl)n1 50312148 XGNYAPXHUAHILQ-NWDGAFQWSA-N 319.792 2.775 0 40 DFAB Cc1cc(NC(=O)CNc2ccc(OC(C)C)cc2F)on1 52109537 CRGFCOSTWLRRSO-UHFFFAOYSA-N 307.325 2.960 0 40 DFAB COc1ncccc1C(=O)Nc1cccc(Cn2cccn2)c1 32817258 GSAAEUPDCMJWSM-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB CCc1cc2c(=O)n([C@@H](C)C(=O)O[C@H](C)CC)cnc2s1 148843 AUMBZLVWPXODJN-ZJUUUORDSA-N 308.403 2.923 0 40 DFAB CN(CCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 47213957 NXRQOFNMEXUFHO-UHFFFAOYSA-N 310.806 2.598 0 40 DFAB Cc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 422167 QFTVPUGGFZNPQE-UHFFFAOYSA-N 310.382 2.946 0 40 DFAB Cc1ccn(-c2ccc(N3CC[C@@H](Oc4ccccc4)C3)nn2)n1 77979092 XHAVPTSUKVOUOO-MRXNPFEDSA-N 321.384 2.628 0 40 DFAB CC(C)c1ccsc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 78788449 NHEBPWXLURDHMC-GJZGRUSLSA-N 322.474 2.543 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)no1 78710865 XWHOMBRCCWWYDI-HUUCEWRRSA-N 303.337 2.820 0 40 DFAB COc1ccc(-n2nnnc2SCc2c(C)noc2C)cc1 3269476 GHEHJJMZSZEIFL-UHFFFAOYSA-N 317.374 2.568 0 40 DFAB N[C@@H]1CC(=O)c2c(Br)sc(Br)c21 3593485 ZBJKXPGYCUSNHR-UWTATZPHSA-N 310.998 2.859 0 40 DFAB c1ccc2c(c1)oc1c(NCc3nncn3C3CC3)ncnc12 95394632 NNZUAKLKGBVCKC-UHFFFAOYSA-N 306.329 2.915 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(F)cc1Cl 24723685 DHSWXYQQQWAADD-LBPRGKRZSA-N 301.745 2.797 0 40 DFAB O=C1O[C@@H]2C[C@@H]1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 101453111 IXDDHKVAJVVUED-KGLIPLIRSA-N 319.788 2.678 0 40 DFAB O=C(Cc1ccsc1)Nc1cc(-n2cnnn2)ccc1Cl 107113395 QPDFVTIDQGTNIU-UHFFFAOYSA-N 319.777 2.558 0 40 DFAB CC(C)(C)c1ccc(C(=S)NCCCN2CCOCC2)cc1 25748559 PKPKPBSCPYKMBN-UHFFFAOYSA-N 320.502 2.972 0 40 DFAB O=C(NC[C@H]1COCCO1)Nc1ccccc1-c1cccs1 56577482 NCMKBIPZAAWZEQ-LBPRGKRZSA-N 318.398 2.952 0 40 DFAB O=C(Nc1nncs1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 56527874 CJEUAAAFAQYECD-NEPJUHHUSA-N 322.365 2.719 0 40 DFAB C[C@H]1CCC[C@@H](C)N1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798797 DFHNUGVBUBEOKJ-JRPNMDOOSA-N 322.355 2.860 0 40 DFAB Cc1nnc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1C 107518852 NLQOIWDMRHRVNB-LSDHHAIUSA-N 318.421 2.585 0 40 DFAB CNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 57344995 CQGABGBLPNULQH-UHFFFAOYSA-N 307.353 2.908 0 40 DFAB C[C@H](CC(=O)N[C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1 57448274 ADEMNSOIBUSECA-PXAZEXFGSA-N 314.360 2.662 0 40 DFAB Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)C(C)C 9194971 PMFITZJSJBOLHS-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB Cc1ccccc1NC(=O)COc1ccc(C(=O)O)cc1C=O 9235425 CBJLQHBKIAEGEE-UHFFFAOYSA-N 313.309 2.523 0 40 DFAB C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)[C@H](C)CO1 44487413 YXXJKJZZSHOUFY-VXGBXAGGSA-N 319.792 2.775 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccccc2)CC1 28210430 KYWTUXJCVNCDDI-UHFFFAOYSA-N 316.351 2.923 0 40 DFAB Cc1nc(S(=O)(=O)Oc2ccccc2C(F)(F)F)cn1C 58331516 CKINOGVSHLCLDS-UHFFFAOYSA-N 320.292 2.515 0 40 DFAB NC(=O)[C@@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12 3327336 MIQYSFAGWUISTE-ZDUSSCGKSA-N 324.409 2.812 0 40 DFAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 57218568 IMKNVNIIMKCRIO-LLVKDONJSA-N 300.399 2.863 0 40 DFAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)o1 45783453 AMJUNEQEEFSILY-BZYZDCJZSA-N 313.357 2.969 0 40 DFAB CCn1c(=O)n(CC(=O)Nc2ccccc2F)c2ccccc21 10406682 YTKRZNVUYDELJO-UHFFFAOYSA-N 313.332 2.601 0 40 DFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccccc1 10544200 GXMOXCJDOLFDIK-OAHLLOKOSA-N 310.463 2.620 0 40 DFAB CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 20355769 ZFUFXODPMRRNOL-UHFFFAOYSA-N 314.410 2.695 0 40 DFAB CC[C@@H](c1ccc(F)cc1)N1CCC([C@@H](O)C(=O)OC)CC1 95432427 AOIJHWQFLWFUEH-JKSUJKDBSA-N 309.381 2.523 0 40 DFAB CCNC(=O)c1ccc(O[C@@H](C)c2ccc(C(=O)OC)o2)cc1 95460335 QGLOHQZYHZKXAQ-NSHDSACASA-N 317.341 2.956 0 40 DFAB c1ccc(-c2ncc(CN[C@@H]3CCN4CCCC[C@H]34)cn2)cc1 48713888 APWSGPAFMPHVRC-QZTJIDSGSA-N 308.429 2.860 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1Cl 5151638 VJEJHXOUKSPTFM-ZDUSSCGKSA-N 312.797 2.727 0 40 DFAB C[C@H]1CCCCN1C(=O)COC(=O)c1cn(C)c2ccccc12 5261474 HFPXHVKVYNBIRR-ZDUSSCGKSA-N 314.385 2.736 0 40 DFAB Cc1csc([C@H]2CN(c3cnc4ccccc4n3)CCO2)n1 65473261 WOHMAEXIPMZKHQ-CQSZACIVSA-N 312.398 2.973 0 40 DFAB CCCCNS(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 6310613 PNOIVJKFJFLCPE-UHFFFAOYSA-N 312.435 2.750 0 40 DFAB biogenic CCN(C)c1cccc(NC(=O)CN2CCCCCCC2=O)c1 65564318 UIOAXDGPLPUQSD-UHFFFAOYSA-N 317.433 2.874 0 40 DFAB Cn1ncc2c(NCCOc3ccc(Cl)cc3)ncnc21 14170377 LHDZQLYRFXFZGD-UHFFFAOYSA-N 303.753 2.508 0 40 DFAB COc1ccc(CNC(=O)c2cc(C)nc3onc(C)c23)cc1 14265003 GHWCJPLQVBCTHH-UHFFFAOYSA-N 311.341 2.778 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1cccc(C(=O)O)c1C 65844488 XNALNFWNDNYNBK-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB COc1ccc(CCNc2ccc3nnc(C(C)C)n3n2)cc1 20718047 DQEARCNVLFKZGZ-UHFFFAOYSA-N 311.389 2.911 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccs2)C1=O 4694876 FABVMMJWMITUTL-RYGSOJJJSA-N 311.384 2.736 0 40 DFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1ccsc1 6653051 CDYGVDCECWBXFT-UHFFFAOYSA-N 306.362 2.527 0 40 DFAB COc1cccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 6604416 HGHIHWGABVREOR-CYBMUJFWSA-N 313.353 2.729 0 40 DFAB C[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1 95455734 RHKYORNANDLQKA-IAQYHMDHSA-N 317.389 2.724 0 40 DFAB O[C@H](COCc1cccs1)Cn1nccc1-c1ccncc1 95438834 GBEQNXGUUMUCOR-AWEZNQCLSA-N 315.398 2.584 0 40 DFAB O=C(CSc1nnc(C2CC2)o1)N1CCc2ccccc21 7288248 JMRPIHDLCDEHBU-UHFFFAOYSA-N 301.371 2.628 0 40 DFAB COc1ccc2cc(C)c(SCCN3CCOCC3)nc2c1 20151161 RTCRFQAMWAWAHH-UHFFFAOYSA-N 318.442 2.976 0 40 DFAB O=C(c1ncoc1-c1ccccc1)N1CCCC[C@@H](CO)C1 95430144 GOCPXMOWDCLYFH-CYBMUJFWSA-N 300.358 2.576 0 40 DFAB COc1ccc(CN(C)CC(=O)Nc2ccccc2)cc1F 8130933 UBXOFFPOBKLYBX-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB CC(=O)N[C@H]1CCCN(Cc2cc(Br)cs2)C1 70007386 UGONZNSWWHNHDM-NSHDSACASA-N 317.252 2.611 0 40 DFAB NC(=O)c1ccnc(NCc2cc(F)cc(Br)c2)c1 71792433 ZURVIAGTONVTKX-UHFFFAOYSA-N 324.153 2.694 0 40 DFAB COc1ccccc1CNC(=O)CN(C)Cc1ccccc1F 8394314 VZCJNJUTAHLRLS-UHFFFAOYSA-N 316.376 2.583 0 40 DFAB COc1ccccc1C(=O)NC(=S)N(C)Cc1ccccc1 8374888 ONBRYVNQCTXJNB-UHFFFAOYSA-N 314.410 2.842 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1cc(Cl)sc1Cl)C2 69454176 RUGBWMXMNMVBQJ-UHFFFAOYSA-N 317.201 2.611 0 40 DFAB CC(C)n1ccc(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)n1 96408047 BBTVMARMISATKG-STQMWFEESA-N 318.421 2.711 0 40 DFAB C[C@H](N[C@@H](C)[C@H](C)n1cccn1)C(=O)NCCC1=CCCCC1 69592292 RPTVHLWVXYDEBS-JYJNAYRXSA-N 318.465 2.817 0 40 DFAB C[C@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@@H](C)O1 17288989 XPGJWEADVIKLOQ-UHIISALHSA-N 314.223 2.592 0 40 DFAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1Cc2ccccc2O1 9575747 LPDJDAAMNPIKAA-KRWDZBQOSA-N 322.364 2.756 0 40 DFAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccn1C 69779200 GFMPCYZMHCWWPI-UHFFFAOYSA-N 317.364 2.654 0 40 DFAB Cn1c(CN2CCCC[C@H]2Cn2cccn2)nc2ccccc21 69777328 SIHLFEBTVDABMD-HNNXBMFYSA-N 309.417 2.825 0 40 DFAB O=C(c1csc(C2CC2)n1)N1CCCC[C@H]1Cn1cccn1 69778756 DTZFNZAUOPNELN-ZDUSSCGKSA-N 316.430 2.912 0 40 DFAB CC(=O)NCCSCCOc1cccc(Br)c1 69737611 WUGNEYKCVXJGOJ-UHFFFAOYSA-N 318.236 2.697 0 40 DFAB O=C(Nc1ccc(Cl)nc1)c1ccc(-c2ccco2)[nH]c1=O 71803699 CSIINPNPCDATFS-UHFFFAOYSA-N 315.716 2.936 0 40 DFAB CCCc1noc2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12 71827084 WKFSDNMHPBOSJO-LSDHHAIUSA-N 315.373 2.569 0 40 DFAB Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCC(=O)N2)cc1 69968641 WEEYBQLSLMQWTC-MRXNPFEDSA-N 324.380 2.682 0 40 DFAB Cc1ccc(N2CCC[C@@H](NCc3ccc(C)s3)C2)nn1 69900857 GCJRCPDFIPNFCC-CQSZACIVSA-N 302.447 2.914 0 40 DFAB CSc1cccc2sc(NCCN3CCOCC3)nc12 70697659 DJYHCFPQLRQLBR-UHFFFAOYSA-N 309.460 2.762 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1F)NCc1ccccc1F 18200853 ZJTGMMNYTWODGS-UHFFFAOYSA-N 323.270 2.577 0 40 DFAB O=C1COc2ccc(C(=O)Nc3ccccc3Cl)cc2N1 8753085 ABAIEOQDBNXTAM-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCc1ccnc(N2CCCC2)c1 71819564 JGTMFRITTMCABA-UHFFFAOYSA-N 313.449 2.992 0 40 DFAB COc1cccnc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C 71916052 GBDAXOCNFYWVDF-UHFFFAOYSA-N 323.393 2.722 0 40 DFAB Cc1c(C(=O)O)sc2nc(Cc3ccccc3)nc(O)c12 9691990 DMVRIOBFXVERIW-UHFFFAOYSA-N 300.339 2.994 0 40 DFAB COc1ccc(OC)c([C@H](O)CNc2ccncc2Cl)c1 89432550 XUFGGJZRNJADTG-CQSZACIVSA-N 308.765 2.898 0 40 DFAB C[C@@H](O)c1ccccc1NC(=O)c1ccc(N2CCCC2)nc1 97046325 ZYRSYWQFXCBCKC-CYBMUJFWSA-N 311.385 2.987 0 40 DFAB CCN(C(=O)N(C)Cc1ccccc1N1CCOCC1)C(C)C 97141710 JVFXSLJAQCTASD-UHFFFAOYSA-N 319.449 2.805 0 40 DFAB Cc1nnc(COc2ccc(OCC(F)(F)F)cc2)n1C 97114879 ODXVEVGQNYGGOX-UHFFFAOYSA-N 301.268 2.644 0 40 DFAB CC(C)n1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cn1 72300137 WPPKNOVZEGCUBG-CYBMUJFWSA-N 309.391 2.583 0 40 DFAB O=C(Nc1ncccc1O)c1cnc2c(cnn2C2CCCC2)c1 84357877 QZBRJIPYVJLYNU-UHFFFAOYSA-N 323.356 2.899 0 40 DFAB Cc1cccc(-c2nc(C(N)=O)nn2-c2ccc(Cl)cc2)c1 408694288 ILEKIDWCKUIVRZ-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB CCCCCNS(=O)(=O)c1ccc(NC(=O)OCC)cc1 408554933 VRDBHFFXFDBNMV-UHFFFAOYSA-N 314.407 2.724 0 40 DFAB COc1cc([C@@H]2CNCc3cc(OC)c(OC)cc32)ccc1O 3847190 NEGANGKLGKFYLC-AWEZNQCLSA-N 315.369 2.653 0 40 DFAB biogenic OC[C@@H](CNCc1cn2cc(Cl)ccc2n1)Cc1ccco1 532866466 QBAQGPVKWKRSFX-GFCCVEGCSA-N 319.792 2.522 0 40 DFAB Cc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1C 74985714 HRDYVCFJRGQGSA-UHFFFAOYSA-N 319.361 2.822 0 40 DFAB CC(C)c1cc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)n(C)n1 186720801 QENMVJDLABKDKL-UHFFFAOYSA-N 313.357 2.647 0 40 DFAB CC[C@@]12OC(=O)CN1N(C(=O)C(C)C)c1ccccc1[C@@H]2C 38337644 GZCNHJAIDILMIB-SJCJKPOMSA-N 302.374 2.673 0 40 DFAB Cc1c(C(=O)OCc2nc(Cl)ccc2Cl)cnn1C 78446116 GPSBMNDSYBTXGM-UHFFFAOYSA-N 300.145 2.787 0 40 DFAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C)C3)nc(C)n2)n1 72360110 ZRKNIMJJVAPACZ-AWEZNQCLSA-N 312.421 2.745 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3nc(N)sc3c2)cc1 216778940 NYMQASJFYJJHTO-UHFFFAOYSA-N 319.411 2.988 0 40 DFAB O=C(c1cnccn1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 72368320 QNQVEBAHDGMQEA-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB C[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccco4)cn1c23 33088815 FDZJDYXOWQEIPY-NSHDSACASA-N 308.337 2.642 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NCc2ccccc2)[C@H]1c1ccccc1 72237828 GSFYXHGSTBQUNW-PKOBYXMFSA-N 322.408 2.913 0 40 DFAB COCC[C@@](C)(O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 72285523 GMSOVCFZUCHASZ-CYBMUJFWSA-N 320.311 2.614 0 40 DFAB O=C(NCc1ccc(F)cc1)NC[C@](O)(c1ccco1)C1CC1 75154994 KLCZGEBEYHCNJA-QGZVFWFLSA-N 318.348 2.516 0 40 DFAB COc1cccc(OC)c1CNC(=O)c1cc(F)ccc1F 222966968 YBOFTKHBTSDDCW-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB CO[C@H](CNC(=O)NCc1cccnc1)c1cccc(Cl)c1 80630786 LEKCSHNZEYCJDH-OAHLLOKOSA-N 319.792 2.922 0 40 DFAB Fc1cccc2c(N3CCO[C@H]([C@@H]4CCCO4)C3)ccnc12 195578631 KHWJXVRMQPUVCO-HOTGVXAUSA-N 302.349 2.758 0 40 DFAB Cc1noc([C@@H]2CCCCN2C(=O)COc2ccccc2C)n1 41122668 SXVHCLJITWTMCQ-AWEZNQCLSA-N 315.373 2.819 0 40 DFAB COC(=O)c1cc(NCC(=O)N2CCCC[C@@H]2C)ccc1Cl 40061535 JSSHMXTVMXGITA-NSHDSACASA-N 324.808 2.940 0 40 DFAB CCn1ccc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)n1 226750340 XQTHJFAWZGNDTH-GFCCVEGCSA-N 319.336 2.629 0 40 DFAB CN(C)C(=O)c1cccc(Cn2ccc(=O)c3ccccc32)c1 96421045 TVUYVKXNBRUSMC-UHFFFAOYSA-N 306.365 2.752 0 40 DFAB Cc1ncsc1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 96414127 BYFUVXVCOPWIHS-LLVKDONJSA-N 317.414 2.929 0 40 DFAB COc1cccc(CN(C)C(=O)C[C@H](O)c2cccc(F)c2)c1 90820626 NIIIJANMVOMZFD-KRWDZBQOSA-N 317.360 2.916 0 40 DFAB Fc1ccc(N2CC[C@@H](NCc3csnn3)C2)cc1Cl 97234045 VUULBJFNGXALBD-SECBINFHSA-N 312.801 2.699 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039468 BADKSTCELMBBIQ-WMZOPIPTSA-N 320.433 2.679 0 40 DFAB Oc1cc(Br)c(F)cc1I 238727145 GVHOPCFUIIHTFH-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB CCn1nc(C)c(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O 96182112 RTKCLWZQPRVEOQ-UHFFFAOYSA-N 321.768 2.608 0 40 DFAB Cc1csc([C@H](C)NC(=O)NC[C@](C)(O)c2ccc(C)o2)n1 96439759 XSSRFGFWHPNQOU-NHYWBVRUSA-N 323.418 2.621 0 40 DFAB CC[C@@](Br)([C@@H](O)c1ccccc1C)S(C)(=O)=O 96521553 ZFFXKKLJRRLSLI-RYUDHWBXSA-N 321.236 2.574 0 40 DFAB O=C(COC[C@@H]1CCCO1)N1CC[C@@H]1c1ccc(Cl)cc1 96426797 JMPFLOLECOSLIP-LSDHHAIUSA-N 309.793 2.809 0 40 DFAB C[C@@H]1OCCN(C(=O)NCc2csc(C(C)(C)C)n2)[C@H]1C 96477090 FWXHIEHTWPJDLN-QWRGUYRKSA-N 311.451 2.759 0 40 DFAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3)n2)cc1OC 95534320 NDVJHXXQYTVSEC-INIZCTEOSA-N 324.384 2.927 0 40 DFAB O=C(c1ccco1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109227 XFKLEUVWONHCJK-KDOFPFPSSA-N 312.369 2.996 0 40 DFAB CCc1cnc(CNC(=O)NC[C@@H](C)Oc2ccccc2)s1 96440269 XVMUQNFEGZFUGT-GFCCVEGCSA-N 319.430 2.972 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H]1CCc2c(F)cccc21 245267401 LNHRNOIRCPGDIF-AHIWAGSCSA-N 321.392 2.903 0 40 DFAB COCCC(=O)N1CCC[C@](C)(c2nc(C)n3ccsc23)C1 257263510 LQFPCSRCXXXKBF-INIZCTEOSA-N 321.446 2.621 0 40 DFAB Fc1cccnc1CN1CCCC[C@H]1c1ccn2ccnc2n1 257200896 AFHDZWDWWNWNAL-INIZCTEOSA-N 311.364 2.991 0 40 DFAB Cc1ccc(CN2CCOC[C@H]2CCc2nccnc2C)s1 257240904 HVQWNRMHEHYFSP-OAHLLOKOSA-N 317.458 2.989 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)/C=C/c2cccs2)cc1 90611670 UTXRXLBVBBFARC-ZNFPLGDCSA-N 316.426 2.677 0 40 DFAB Cc1nnc2ccc(NCc3ccc(Br)cc3)nn12 68702792 YLSOCHJWBDBQID-UHFFFAOYSA-N 318.178 2.807 0 40 DFAB CC[C@@H](COC)NC(=O)c1cc(Br)cnc1Cl 71910943 ZCJDDMGGFZIEFW-QMMMGPOBSA-N 321.602 2.652 0 40 DFAB NC(=O)[C@H](Cc1ccccc1)NC(=O)CC/C=C/c1ccccc1 75143005 BGWXKQQWILSFSI-DBEXCURXSA-N 322.408 2.693 0 40 DFAB CCCc1ccc(-c2cc(NC(=O)c3cccc[n+]3[O-])[nH]n2)cc1 57205580 CBNAOSLIEKQTFD-UHFFFAOYSA-N 322.368 2.915 0 40 DFAB C[C@H](Nc1nc(N)c2ccccc2n1)[C@H](O)Cc1ccccc1 95978590 AJNGWHGRVUEFDY-BLLLJJGKSA-N 308.385 2.616 0 40 DFAB OCc1cn(-c2ccc(NCc3ccc(F)c(F)c3)cc2)nn1 97148604 FIXBUARQTWBXMP-UHFFFAOYSA-N 316.311 2.650 0 40 DFAB CCc1ccc(OCc2cc(=O)n3nc(CC)sc3n2)cc1 13367690 VACRYSUNEXPNJA-UHFFFAOYSA-N 315.398 2.855 0 40 DFAB Cc1ccc(CS(=O)(=O)NCCN(C)c2ccccc2)cc1 13648956 VRFQUYDPGKGWNB-UHFFFAOYSA-N 318.442 2.551 0 40 DFAB C[C@H](O)CN(Cc1ccc(O)cc1)Cc1ccc2c(c1)OCO2 13991787 XXWRBMWHRHXZAG-ZDUSSCGKSA-N 315.369 2.504 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2nc(O)nnc2C)c(C)c1 15831091 QGXJNOYRYZYAOT-UHFFFAOYSA-N 318.402 2.542 0 40 DFAB CC[C@@H]1Oc2ccccc2N(CC(=O)NC2CCCCC2)C1=O 15935659 ZJLHREWWBOYLIR-HNNXBMFYSA-N 316.401 2.640 0 40 DFAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(CC)CC1 19501875 GVXWPRPFKLKQFE-INIZCTEOSA-N 320.485 2.657 0 40 DFAB CCOc1cc(Cl)ccc1NC(=O)C(=O)N(CC)C(C)C 162962499 ARIRNDAPESXTOP-UHFFFAOYSA-N 312.797 2.934 0 40 DFAB CN1CCN(C(=O)N2CCCC[C@@H](c3ccccc3)C2)CC1 390825882 LYSHQZXZBHDLKH-QGZVFWFLSA-N 301.434 2.624 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1 10509730 LROCDURUCNJINU-UHFFFAOYSA-N 303.343 2.556 0 40 DFAB Clc1cnn(CC2CN(c3ncnc4sccc34)C2)c1 1889136339 VIXLSPRVJHNPDU-UHFFFAOYSA-N 305.794 2.678 0 40 DFAB CS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl 14161728 YKBDMYMPPZCQNS-UHFFFAOYSA-N 315.822 2.806 0 40 DFAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 100073985 CVYWVAYSMDKNGF-WMHQRMGPSA-N 323.348 2.643 0 40 DFAB COc1ccc(C(=O)c2c[nH]c3ccc(OC)cc3c2=O)cc1 2461917 YEWNCJUUUSCLEM-UHFFFAOYSA-N 309.321 2.776 0 40 DFAB CCNC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1 16849024 USQIEHRCCSQNIZ-UHFFFAOYSA-N 318.402 2.856 0 40 DFAB C[C@]1(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NC3CCC3)C2)CC=CCC1 2055815415 KGWPTINWCHWKOB-ZYSHUDEJSA-N 316.445 2.640 0 40 DFAB COCCn1/c(=N/C(=O)C2CC2)sc2cc(Cl)ccc21 100872500 IIUZJHQCUDXSLY-PEZBUJJGSA-N 310.806 2.840 0 40 DFAB Cc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cc1F 575619659 LNNCHGZSLNRHEY-UHFFFAOYSA-N 322.343 2.916 0 40 DFAB Cc1ccc(-n2ccn3c(C(F)(F)F)nnc3c2=O)c(C)c1 2298067705 CEOOQBYRQFPOQS-UHFFFAOYSA-N 308.263 2.516 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)cc1 20367531 XXGKKSUPOONMBO-GJZGRUSLSA-N 300.402 2.749 0 40 DFAB O=S(=O)(c1ccccc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 41195078 OJQJZUOCJQBAHX-QWHCGFSZSA-N 315.822 2.672 0 40 DFAB CSc1ccccc1C(=O)NCc1ccc(NC(N)=O)cc1 32899142 QBXCFNDFKGCLKN-UHFFFAOYSA-N 315.398 2.829 0 40 DFAB O=C(NCc1ccco1)c1nc(-c2c[nH]c3ccccc23)no1 12390049 GDWAUBSMENIRLT-UHFFFAOYSA-N 308.297 2.741 0 40 DFAB CCNc1nc(S[C@@H]2C[C@H](C)OC2=O)nc2ccccc12 8942222 MAYZOMIIJJNLBC-JOYOIKCWSA-N 303.387 2.858 0 40 DFAB Cn1c(C(=O)N(CCO)Cc2ccccc2)cc2ccccc21 77617745 LFDNPWVYQDRFRK-UHFFFAOYSA-N 308.381 2.813 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)cc(C)cc1C 970187 KCPUAGRGDKLQCR-HNNXBMFYSA-N 302.374 2.803 0 40 DFAB O=C(O)c1c(C(=O)O)c2cccn2c2c1cnn2-c1ccccc1 1612514 SRDCXCRODAYSDT-UHFFFAOYSA-N 321.292 2.675 0 40 DFAB O=P(Oc1ccc(Br)cc1)(N1CC1)N1CC1 1676212 DGECDMZCSITMNO-UHFFFAOYSA-N 303.096 2.567 0 40 DFAB CC[C@H](CNC(=O)Cc1cc(C)on1)Oc1cccc(F)c1 84561503 JNCIBBPZHMTLNE-CQSZACIVSA-N 306.337 2.638 0 40 DFAB Cc1ccc(NC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1 106180587 WIJURQZRSMTLGV-QEJZJMRPSA-N 301.390 2.645 0 40 DFAB C[C@H](NC(=O)CCN[C@H](C)[C@H](C)n1cccn1)c1ccccc1 106845652 ZINSKIZIAHCLGG-PMPSAXMXSA-N 314.433 2.690 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccsc1 25332532 PWJUXFNRAKWGQX-HNNXBMFYSA-N 316.426 2.716 0 40 DFAB Cc1cc([C@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)no1 44591155 HZHGFHNNBLRHTQ-WMLDXEAASA-N 320.364 2.699 0 40 DFAB Cc1ccc(F)c(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1 58087483 FFDPQLQPUFMQFB-UHFFFAOYSA-N 320.389 2.882 0 40 DFAB COCCN(Cc1ccco1)C(=O)Nc1ccc2[nH]ncc2c1 72285315 YNNULCWECMPTRD-UHFFFAOYSA-N 314.345 2.836 0 40 DFAB Cc1cccnc1NC(=O)NCc1nc(Cc2ccccc2)no1 58228775 IYCKBIZSEFMWLR-UHFFFAOYSA-N 323.356 2.686 0 40 DFAB Cc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1 2294825 RCTUBYQDUKMGEA-UHFFFAOYSA-N 323.400 2.823 0 40 DFAB COc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1 3334168 DQUBKESNBROMKJ-UHFFFAOYSA-N 314.385 2.867 0 40 DFAB O=C(NCc1ccsc1)N1CC[C@H](Oc2cccnc2)C1 95416760 FFOLPPGZMQJIFX-AWEZNQCLSA-N 303.387 2.506 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101801278 WRQTWCDGJCBJIG-CPUCHLNUSA-N 300.402 2.898 0 40 DFAB NC(=O)Nc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 48333315 YOVGBGLEQNTLJR-UHFFFAOYSA-N 303.749 2.761 0 40 DFAB NC(=O)C[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 60296405 GVSQMMXXGSRBLL-ZDUSSCGKSA-N 300.324 2.935 0 40 DFAB Cc1csc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 3407011 LCBZLOSYNPVSGR-UHFFFAOYSA-N 308.384 2.911 0 40 DFAB OC[C@@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1 12905938 DBDADRMNQWMOTD-SNVBAGLBSA-N 311.307 2.857 0 40 DFAB CS[C@H](C)C(=O)Nc1ccc2nc(NC(C)=O)sc2c1 49316705 WVRQNASUYITZTQ-SSDOTTSWSA-N 309.416 2.945 0 40 DFAB Cc1sc2ncnc(OCC(=O)c3cccn3C)c2c1C 39562486 OPZHYKBGAAFIDP-UHFFFAOYSA-N 301.371 2.908 0 40 DFAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 65415498 FCADOBJKMDMJRK-SNVBAGLBSA-N 314.341 2.814 0 40 DFAB CN1CCc2ncnc(N3CCC[C@@H]3c3cccs3)c2C1 65466665 DLJVWDUQSAOAEY-CQSZACIVSA-N 300.431 2.868 0 40 DFAB CSCC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O 5450932 XLZHCSCVHUWXQZ-GFCCVEGCSA-N 302.440 2.605 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCn1cnc2sccc2c1=O 14302470 SMLUELYNIWOWPB-DGCLKSJQSA-N 319.430 2.543 0 40 DFAB CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)c2ccccc2C1 84325797 HODAYOOIDSHQNX-UHFFFAOYSA-N 312.417 2.730 0 40 DFAB Cn1cc(C(=O)NCc2nc3ccccc3n2C)c2ccccc21 15132699 HUZSHGZFVSMPER-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB CCC1(CC)NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O 9466557 NSILZWJFOABNJF-UHFFFAOYSA-N 320.780 2.598 0 40 DFAB O=C(NCCn1ccnc1)N1CCC[C@H](c2ccccc2)CC1 67358908 CJOMZLSZBHCAEL-KRWDZBQOSA-N 312.417 2.862 0 40 DFAB O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1cccs1 90166824 UXTVZPZIDCQGMC-UHFFFAOYSA-N 308.306 2.963 0 40 DFAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(N)=O 7160880 JVKLJUWDMWYDQW-LURJTMIESA-N 301.293 2.615 0 40 DFAB CCCN(C(=O)CCN1CCCC1=O)[C@@H]1CCc2ccccc21 71793589 XQRJFPQGXNKEDJ-QGZVFWFLSA-N 314.429 2.925 0 40 DFAB Cc1cc(COC(=O)[C@H]2COc3ccc(Cl)cc3C2)no1 7549409 XVUOJKSXAPGBSA-LLVKDONJSA-N 307.733 2.931 0 40 DFAB O=C(Cn1cccn1)Nc1ccc(OC2CCCC2)c(F)c1 96426076 OVLGHIJUMVXVCY-UHFFFAOYSA-N 303.337 2.982 0 40 DFAB Cc1ccc(OCCOC(=O)c2cccc(NC(N)=O)c2)cc1 7690694 FDVPJZVWQRGBBS-UHFFFAOYSA-N 314.341 2.721 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)NCc2ccc(SC)cc2)C1 96453064 XYSJDEPTPJDCST-OAHLLOKOSA-N 321.490 2.892 0 40 DFAB CC1CCN(C[C@@H](O)CN2CCc3ccc(Cl)cc3C2)CC1 90614048 IPYGIRJDBMUWPC-GOSISDBHSA-N 322.880 2.791 0 40 DFAB Cc1cc(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc12 9593793 NPTISBXYDNMKOL-AWEZNQCLSA-N 317.414 2.855 0 40 DFAB O=C(O)c1cc(-c2ccco2)nc2c1cnn2Cc1cccnc1 8192630 ZGYLQFJLYCIKSO-UHFFFAOYSA-N 320.308 2.833 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3cccn3C)nc12 8184493 SDFSJXADGMCIKM-QGZVFWFLSA-N 322.412 2.679 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)OCC(F)(F)F 71862913 QMCZCMLERMIVLA-SNVBAGLBSA-N 307.316 2.987 0 40 DFAB COCC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 71884456 YWFJMAUUGVPMIH-IBGZPJMESA-N 311.381 2.864 0 40 DFAB O=C(CCCc1nc2ccccc2o1)N1CCO[C@@H]2CCC[C@H]21 71823524 GAAXPXSWWLDXHN-GDBMZVCRSA-N 314.385 2.930 0 40 DFAB Cc1nc2ccccc2nc1CN1CCCC[C@H]1Cn1cncn1 71878749 IFOPXWNEOXPRTM-HNNXBMFYSA-N 322.416 2.584 0 40 DFAB C[C@@H]1CN(Cc2ccc(Cl)s2)CCN1Cc1nccn1C 71863840 GHPWWPFIPOAOJV-GFCCVEGCSA-N 324.881 2.841 0 40 DFAB COc1ccc([C@H]2C[C@@H]2C(=O)NCC(C)(C)CN(C)C)cc1 69509195 UBWMORZYRNHNCS-CVEARBPZSA-N 304.434 2.503 0 40 DFAB O=C(Nc1ccccc1)N[C@H]1CC(=O)N(Cc2ccccc2)C1 69568276 DHHCOSJQFONFOX-INIZCTEOSA-N 309.369 2.609 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cn2ccccc2n1 83884476 DKEINZADBPCOBJ-KBMXLJTQSA-N 313.401 2.640 0 40 DFAB C[C@@H](CN1CCC(C(=O)Nc2ncccn2)CC1)c1ccccc1 71909861 RTPFIULIDLIERV-HNNXBMFYSA-N 324.428 2.931 0 40 DFAB O=C(CC1CCCCC1)NCCNC(=O)[C@@H]1Cc2ccccc21 71916802 ODYSUVVEEMXPNC-QGZVFWFLSA-N 314.429 2.529 0 40 DFAB O=C(CCc1nc2ccccc2o1)N1CCC[C@H](n2ccnc2)C1 69777208 KXIJEGQLLLFYLR-AWEZNQCLSA-N 324.384 2.821 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 69981513 SERYZCFDBZRPMC-CYBMUJFWSA-N 300.362 2.534 0 40 DFAB CC[C@H](CO)NC(=O)Nc1ccc(OCc2ccncc2)cc1 69973655 UVLGURLRCGYTJS-CQSZACIVSA-N 315.373 2.553 0 40 DFAB COC[C@H](NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C1CC1 95423375 TVBMQTYSHKMBFU-UYTSQGDYSA-N 324.465 2.932 0 40 DFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCCCC1 8704459 AMZPOCUFIRIWPT-AWEZNQCLSA-N 318.417 2.998 0 40 DFAB Cc1ncsc1CN[C@@H](C)Cn1cc(Br)cn1 95421956 WSFWQVLAONNERZ-QMMMGPOBSA-N 315.240 2.589 0 40 DFAB C[C@@H]1CCC[C@H](C(=O)N(C)C2CCN(C3CCOCC3)CC2)C1 95401185 PIOPGPXQOLTIDW-CVEARBPZSA-N 322.493 2.915 0 40 DFAB O=C(Nc1ccc(O)cc1)c1ccnc(OCC(F)(F)F)c1 173375664 RFZQFQKCILUOBX-UHFFFAOYSA-N 312.247 2.981 0 40 DFAB CN(C1CCCCC1)S(=O)(=O)N(Cc1ccccn1)C1CC1 74174903 VDKGUBQUAZUJEL-UHFFFAOYSA-N 323.462 2.555 0 40 DFAB COc1cccc(C(=O)N2CCCN([C@H]3C=CCCC3)CC2)c1 95954805 NNTPVJJLHSOFTA-KRWDZBQOSA-N 314.429 2.952 0 40 DFAB CCc1cnc(CCNC(=O)C(F)(F)c2ccccn2)s1 89289638 IXWVOZFRBZWVNL-UHFFFAOYSA-N 311.357 2.551 0 40 DFAB Cc1cc(F)ccc1CCNC(=O)NCCc1ccccn1 89587631 IZCSBFFRVICSNC-UHFFFAOYSA-N 301.365 2.614 0 40 DFAB CCOc1nnc(CN2CCC[C@H]2c2noc(C(C)C)n2)s1 75581795 OIGOXDDRONHMFG-JTQLQIEISA-N 323.422 2.780 0 40 DFAB FC(F)(F)c1cccc(CN2CCN(Cc3ncc[nH]3)CC2)c1 75610309 AYCGTWOWJBPXKB-UHFFFAOYSA-N 324.350 2.746 0 40 DFAB CC(=O)Nc1nc(Cn2ccc(=O)c3sccc32)cs1 76065276 PTPKDYAJGFKULW-UHFFFAOYSA-N 305.384 2.526 0 40 DFAB COCc1ccccc1CNC(=O)CN1CCc2ccccc2C1 76411326 BYCOXXCKHIOVLK-UHFFFAOYSA-N 324.424 2.508 0 40 DFAB CC(=O)N[C@H](C(=O)N1CCC(c2ccsc2)CC1)C(C)C 547622279 DIAQTSBTMDOLPD-HNNXBMFYSA-N 308.447 2.615 0 40 DFAB CCn1cc(C(=O)NCCCOC(C)C)c(=O)c2ccccc21 408713076 JHAAHWCMYUGFIK-UHFFFAOYSA-N 316.401 2.566 0 40 DFAB CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(C)ccc21 408713198 NSNTXYBIFHDZSJ-UHFFFAOYSA-N 321.380 2.655 0 40 DFAB Cc1cc([C@H](O)CNC(=O)CCc2ccccc2F)c(C)o1 1565519301 BXTJGHGMZBQVNI-MRXNPFEDSA-N 305.349 2.818 0 40 DFAB C/C(=C\c1ccccc1Cl)C(=O)N(C)C[C@@H](C)c1nnn[nH]1 124165265 FESNPOFUUPJWKT-RJCSOLBVSA-N 319.796 2.519 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1 72241879 OEKAGKTYIFWZSF-RDJZCZTQSA-N 318.392 2.794 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1 46814255 BEKQBFJVPJFUDL-UHFFFAOYSA-N 309.362 2.703 0 40 DFAB CCOc1cccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 224868656 WUFOOYCHLIZWSH-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB Cc1cc(Br)cc(C)c1NC(=S)NCCCO 225192739 LWKKOGUQTQGCOP-UHFFFAOYSA-N 317.252 2.735 0 40 DFAB CC(C)c1nnc(N2CCC[C@H]2C(=O)NCc2ccco2)s1 134900618 MUVJKSMLPAVFBM-LBPRGKRZSA-N 320.418 2.540 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C 225738513 UMTFGVAVCWNDMW-MGPQQGTHSA-N 309.431 2.779 0 40 DFAB CC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 83260058 GZEIQAMBCYFOGL-LLVKDONJSA-N 301.383 2.591 0 40 DFAB Cc1nsc(N2CCCN(C(=O)Nc3ccccc3)CC2)n1 80627459 MTLNDHXXDYMARD-UHFFFAOYSA-N 317.418 2.591 0 40 DFAB CN(Cc1nc(-c2ccc3c(c2)CCO3)no1)[C@@H]1CCSC1 195574685 KPTSIUJVBSEROZ-CYBMUJFWSA-N 317.414 2.609 0 40 DFAB Fc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 96053736 AWGYHIQLTUZPPL-QZTJIDSGSA-N 311.404 2.785 0 40 DFAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]32)c1 230128988 QFJQJVXSRGMPRI-MELADBBJSA-N 311.451 2.807 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344894 LZPVVTTXVJMWLA-LBPRGKRZSA-N 320.352 2.555 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4ccoc4)C[C@H]3C2)c1 96053852 CSFPQQCQDXLYDI-CALCHBBNSA-N 300.377 2.983 0 40 DFAB COc1c(Cl)cc(NCC(=O)NCC2CC2)cc1Cl 96427481 BEKFONMDQNMLQH-UHFFFAOYSA-N 303.189 2.940 0 40 DFAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CC[C@H](O)C1 96435193 DYSVLUPEYTTYOX-INIZCTEOSA-N 303.406 2.666 0 40 DFAB CC1(CNC(=O)NC[C@@H]2CCC[C@@H](O)C2)Cc2ccccc2C1 91933994 HOXROHPACXZZOK-RHSMWYFYSA-N 316.445 2.642 0 40 DFAB O=C(c1cccnn1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257278961 OEKBGRZZSBDLOP-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB CCn1cc(C(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)c(C)n1 257304930 SNSPHGVLRIKEMP-UNEWFSDZSA-N 305.422 2.631 0 40 DFAB CCc1n[nH]c(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1 26420967 FFBGNTWZVGFQOF-NSHDSACASA-N 316.430 2.827 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccsc2)C1 257344007 ZVKIFUDIQRPJOI-GFCCVEGCSA-N 316.430 2.675 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2nccs2)c1 71866016 YFFBOVLPIZQWKL-AWEZNQCLSA-N 318.446 2.662 0 40 DFAB COC[C@@H](O)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 72287625 RKGXSQFTZNKCDW-LBPRGKRZSA-N 314.341 2.715 0 40 DFAB Cc1nc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1C 58191397 FDERGKOCVPYBRX-UHFFFAOYSA-N 319.308 2.548 0 40 DFAB CCCC(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 58357071 ULJCTACDSUEYLT-LBPRGKRZSA-N 314.179 2.580 0 40 DFAB O=C(CCNC1(C(=O)O)CCCC1)Nc1ccccc1Cl 89814122 KNUFXWXXGBKQEH-UHFFFAOYSA-N 310.781 2.656 0 40 DFAB CC(C)(C)NC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 1235716 ITJHTFHGGAVSCB-XFXZXTDPSA-N 318.398 2.638 0 40 DFAB CCc1nn2c(NCCO)cc(C)nc2c1-c1ccc(F)cc1 5000321 UFNDIUGFWBMUKN-UHFFFAOYSA-N 314.364 2.810 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 12187162 JMINFJSLOZKTMM-YJBOKZPZSA-N 312.457 2.955 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnnn1C1CCCC1 13561700 MNMCTQODPOJJLW-TXEJJXNPSA-N 323.466 2.670 0 40 DFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)cc1 17031965 FWHAWEQYBQLNQH-FSDCSDTHSA-N 309.365 2.953 0 40 DFAB Cc1cccc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)n1 19236182 RFTQDHLMJVXFLC-FQEVSTJZSA-N 321.424 2.711 0 40 DFAB COC(=O)/C=C/[C@]1(CC(C)C)N=C(c2ccccc2)OC1=O 1581769 MWMMAQCHIURHLC-OAGJVSPASA-N 301.342 2.504 0 40 DFAB CC(C)N1CCC2(CN(C(=O)CCc3ccccc3F)C2)C1 1073421731 GYYLVHCURAKTRN-UHFFFAOYSA-N 304.409 2.701 0 40 DFAB Cc1csc(C(=O)NC[C@]2(O)CSCc3ccccc32)c1 2087132270 IQZVRMHXFIOMFO-INIZCTEOSA-N 319.451 2.921 0 40 DFAB Cc1ccccc1OCC(=O)NCCc1ccc(N(C)C)cc1 11693625 TYOYRWVGVPUDFW-UHFFFAOYSA-N 312.413 2.799 0 40 DFAB COCCn1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)ccc1=O 31564071 KCLVQHPBFBFBPI-GDBMZVCRSA-N 318.417 2.672 0 40 DFAB Cc1nn(C[C@@H](O)c2ccc(F)cc2F)c(=O)c2ccccc12 51289745 XZNOOZSKUTWCMR-MRXNPFEDSA-N 316.307 2.717 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)o1 20593470 DDPFDTXIZWTMLM-UHFFFAOYSA-N 319.697 2.571 0 40 DFAB in-vitro COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(SC)cc1 276596 MHTPYVZFSPUZQF-ZDUSSCGKSA-N 306.387 2.552 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2F)CCC[C@H]1C 102167843 UDBMOQCJNNNRBB-XUJVJEKNSA-N 307.365 2.923 0 40 DFAB Clc1ccc(-n2ncc3c2ncn2cnnc32)cc1Cl 540331 HMHUTZIYFOFOCX-UHFFFAOYSA-N 305.128 2.770 0 40 DFAB Cc1nc(NN)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 547718 FKSWMHQJMFRPDW-UHFFFAOYSA-N 315.402 2.685 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 42219085 DTYCFJWUHLYIQD-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB COc1ccc(Cc2noc(C3=COCCC3)n2)cc1OC 95394452 NGYXEARRAGKSGY-UHFFFAOYSA-N 302.330 2.829 0 40 DFAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)COC[C@@H]1CCCO1 78874481 ATZAWSOBOAZLSV-FZCLSBEQSA-N 317.429 2.975 0 40 DFAB COC(=O)[C@@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 78985198 IXLNLZRNYGSEDO-RGDDUWESSA-N 305.349 2.783 0 40 DFAB C[C@H](CC(=O)c1ccco1)NC(=O)CSCc1ccccn1 79105909 ALFFOCALJVQCNG-GFCCVEGCSA-N 318.398 2.686 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 79592317 HYSVEKUBEGXLFT-HNAYVOBHSA-N 308.381 2.536 0 40 DFAB CN1C=CC=C/C1=C1\N=C(c2ccc(OC(F)F)cc2)OC1=O 104729232 WZMSZJPDBDCXSC-OUKQBFOZSA-N 318.279 2.818 0 40 DFAB COc1cccc(-c2noc(CCCC(=O)NC(C)C)n2)c1 4433201 NOXBQXKHFHNOHA-UHFFFAOYSA-N 303.362 2.593 0 40 DFAB COc1ccccc1NC(=O)CSc1nnc(C(C)C)o1 6617034 FUHKLYDFOFJQRS-UHFFFAOYSA-N 307.375 2.932 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1 6881281 RQDRREXTQXWVLK-SECBINFHSA-N 321.427 2.746 0 40 DFAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1 6929362 YQOTUODADOSLEV-LBPRGKRZSA-N 312.321 2.886 0 40 DFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 7651405 ZLTAPPUKJOIXGG-UHFFFAOYSA-N 324.446 2.844 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 43583670 BRAQMRLWZNOJGN-CYBMUJFWSA-N 309.793 2.986 0 40 DFAB Cc1ccc(C)c(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 95458169 ZJTPBRYBIOPTEP-YOEHRIQHSA-N 304.390 2.763 0 40 DFAB CCOc1ccccc1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 84810980 BSQWRCLTAZOFGU-JSGCOSHPSA-N 303.358 2.920 0 40 DFAB Cc1c([C@H](C)NC(=O)[C@@H]2CSC(=O)N2)oc2ccc(F)cc12 73250872 LLWSOJPTBZLFTN-KWQFWETISA-N 322.361 2.883 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ccccc21 57445162 JUKYWIMBYSNUGK-DLBZAZTESA-N 314.429 2.971 0 40 DFAB COc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 3232576 MDIBNKWUEVRPRK-STQMWFEESA-N 305.374 2.642 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)NCCc1cccc(F)c1 10134757 OCLKUXZEIVQMNV-UHFFFAOYSA-N 324.355 2.611 0 40 DFAB CCc1nc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccccc1 100753315 CKLKFKAHDSYJNE-GDBMZVCRSA-N 319.412 2.949 0 40 DFAB O=C(COc1ccc2c(c1)CCCC2=O)NCc1ccccc1 58281548 AMZMDHKBNMSCSX-UHFFFAOYSA-N 309.365 2.901 0 40 DFAB CCN(Cc1ccco1)C(=O)C[C@H](NC(C)=O)c1cccs1 44909325 KEXQWEOGJQOZOK-AWEZNQCLSA-N 320.414 2.957 0 40 DFAB CCNc1nnc(SCC(=O)N2CCCC[C@@H]2CC)s1 10344532 BOBRQNPJJLYBPT-JTQLQIEISA-N 314.480 2.853 0 40 DFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)C1[C@H]2CCC[C@H]12 102694617 COXJSROLWFFOKN-AVGNSLFASA-N 313.319 2.901 0 40 DFAB CC1(C2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)OCCO1 95440777 KCZOPSMFVPIRBN-AWEZNQCLSA-N 308.422 2.527 0 40 DFAB COc1ccc([C@H]2NC(=O)c3ccccc3O2)c(OC)c1OC 2354737 VWABRPAMTFPUBM-KRWDZBQOSA-N 315.325 2.533 0 40 DFAB COC(=O)[C@@](O)(CC(=O)c1ccc(C(C)C)cc1)C(F)(F)F 2329091 OEJGHZYMFABHKU-AWEZNQCLSA-N 318.291 2.849 0 40 DFAB CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc2c(c1)ncn2C 95435367 HDBYWYGANLIWRN-CABCVRRESA-N 303.431 2.929 0 40 DFAB Cc1csc(=O)n1CCC(=O)N1c2ccccc2C[C@H]1C 36697969 GLMUEXNBYXMAJS-LLVKDONJSA-N 302.399 2.586 0 40 DFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2N3Cc2ccco2)Nc2ccccc21 100119484 YTMGEMWUZSXDMB-ULFGMLNVSA-N 309.369 2.568 0 40 DFAB COc1ccc(-c2nc(CN3C[C@H](C)OC[C@@H]3C)co2)cc1 28984904 OBINZOQGOXLRIS-STQMWFEESA-N 302.374 2.959 0 40 DFAB O=C(CNC(=O)Nc1ccccc1)NCc1cccc(Cl)c1 11772534 OGGARZYNOBNHAI-UHFFFAOYSA-N 317.776 2.778 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@]1(C)CCCS1 95437704 KFXCPTFGIYZNHI-INIZCTEOSA-N 324.494 2.630 0 40 DFAB COC(=O)c1ccccc1OS(=O)(=O)c1cccc(C)c1 3358749 YMPUZMMJZGDOKL-UHFFFAOYSA-N 306.339 2.549 0 40 DFAB Cc1cc(CNC(=O)Nc2cnc3c(c2)COCC3)ccc1F 95464632 HSTOQOPBHAZVSL-UHFFFAOYSA-N 315.348 2.924 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)NC3=NCCS3)sc2n1 12900819 MVVYAKOETJOTNO-UHFFFAOYSA-N 320.443 2.703 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c(C)c1 12929199 CVEVNBBRDYFPLW-UHFFFAOYSA-N 322.474 2.517 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 13147536 AZWIUJBEXVGWJB-CHWSQXEVSA-N 324.380 2.834 0 40 DFAB O=C(O)C[C@H](NC(=O)COc1ccc(F)cc1)c1cccs1 13388395 UYHMXOUCBAZSQI-LBPRGKRZSA-N 323.345 2.598 0 40 DFAB CCc1nc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)no1 97033188 OVWGWWXLPLPRKL-LBPRGKRZSA-N 314.389 2.610 0 40 DFAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCCCC1 9196633 XNVUJSLMGVRROU-UHFFFAOYSA-N 310.781 2.933 0 40 DFAB CO[C@H](C(=O)NCCSc1ccccn1)c1ccccc1 20238636 OSARHGKYEGUCJN-HNNXBMFYSA-N 302.399 2.678 0 40 DFAB Cc1c(C(=O)NCc2cccnc2)oc2c1[C@H](O)CC(C)(C)C2 5244734 BZGYUSBIPWNOSU-CYBMUJFWSA-N 314.385 2.919 0 40 DFAB O=C(Nc1ncn(C2CCCCC2)n1)c1cccc2cn[nH]c12 96010854 UTZXPVMRQMJRLX-UHFFFAOYSA-N 310.361 2.912 0 40 DFAB CN(C)c1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)nn1 65536482 KWAXTVAAGFXZKR-UHFFFAOYSA-N 319.796 2.514 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 65553915 LBZPRLXXTFFJQD-NSHDSACASA-N 319.792 2.981 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)o1 14230099 XUQXUJJHGFUOTO-LLVKDONJSA-N 321.398 2.791 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1C 72282711 LMBRTIRJKGHFKA-CQSZACIVSA-N 300.406 2.868 0 40 DFAB CNS(=O)(=O)c1cccc(CNCc2ccccc2Cl)c1 66988902 ZLEJQARTTFNVHU-UHFFFAOYSA-N 324.833 2.538 0 40 DFAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1CCOCC1 9314731 AHKQCJIQIUQMIF-CQSZACIVSA-N 322.408 2.917 0 40 DFAB Cc1cnn(CCCNC(=O)NC(C)(C)c2ncc(C)s2)c1 80106142 IVWBUHDILIYPBF-UHFFFAOYSA-N 321.450 2.581 0 40 DFAB CCO[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 67563711 CHZOABAYYBXXBP-CYBMUJFWSA-N 323.368 2.817 0 40 DFAB CCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15646237 HLDTVMMUBZFVOQ-UHFFFAOYSA-N 323.356 2.703 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1cccnc1 96221612 NRTYXKHFPBHUOW-CYBMUJFWSA-N 307.305 2.937 0 40 DFAB biogenic CC(=O)N[C@H](C(=O)Nc1nc2ccccc2s1)C1CCCC1 16469161 KQMYCWPNOXVRHM-AWEZNQCLSA-N 317.414 2.930 0 40 DFAB C[C@@H](Sc1nnnn1C1CC1)c1nnc(-c2cccs2)o1 8073990 HSIFEZRLEASNLI-SSDOTTSWSA-N 320.403 2.973 0 40 DFAB CCN(C[C@@H]1CCN(C(=O)NC(C)(C)C)C1)CC(F)(F)F 97164086 BOJZZBKSKPSGJO-NSHDSACASA-N 309.376 2.701 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2F)c(OC)c1 17032253 GOXIVXZETHDHOR-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB CN(Cc1nnc2ccccn12)C(=O)c1cccc(Cl)c1 69435227 HSXRSAHFFJIOJF-UHFFFAOYSA-N 300.749 2.655 0 40 DFAB Cc1nc(C)c(C)c(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 91627833 BOLWNBFCOHPDTL-CQSZACIVSA-N 312.421 2.712 0 40 DFAB COc1cccc(-c2nsc(NC(=O)COCC3CC3)n2)c1 69566798 JXEOUUUNTKTLAG-UHFFFAOYSA-N 319.386 2.579 0 40 DFAB O[C@@H](CN[C@@H](c1ccc(F)cc1)C1CCC1)Cn1cccn1 69973243 YIWWDDOLVNTKSC-DLBZAZTESA-N 303.381 2.514 0 40 DFAB C[C@@H](C1CC1)N(C(=O)CNC(=O)OCc1ccccc1)C1CC1 71836364 QHHOECSZYLHNKX-ZDUSSCGKSA-N 316.401 2.702 0 40 DFAB CC(=O)N(CCC(=O)Nc1ccncc1C)Cc1ccccc1 71885865 DHPSDTAROIZMHE-UHFFFAOYSA-N 311.385 2.767 0 40 DFAB O=C(NC1CC1)c1cn[nH]c1-c1cccc(Br)c1 72329032 QJWATZPOGKIYMU-UHFFFAOYSA-N 306.163 2.731 0 40 DFAB CC(C)(C)c1cc(I)c(O)c(C(=O)O)c1 26013229 HWXLSOQEFBEHHU-UHFFFAOYSA-N 320.126 2.993 0 40 DFAB CC(C)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)c1 95975994 IFANSHIGMXWEHM-HZPDHXFCSA-N 311.447 2.639 0 40 DFAB COC[C@H]1CCCN1C(=O)c1cccc(OC(F)(F)F)c1 95966925 VHOWRPYBRDYVLA-LLVKDONJSA-N 303.280 2.836 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2cc3ccccn3c2)C2CC2)n1 95986953 DHBSDWPWKOWZRV-INIZCTEOSA-N 306.369 2.919 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 74762967 IHOMRUFVQIAWJV-YNEHKIRRSA-N 308.451 2.583 0 40 DFAB Cc1ccc([C@H](O)CN[C@@H]2CCN(CCc3ccccc3)C2)cc1 89629826 HYRYGUPLYIWXBD-NHCUHLMSSA-N 324.468 2.935 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)Nc1ccc2c(c1)NC(=O)CC2 125751545 WVRHYFWWNFDILS-QGZVFWFLSA-N 324.380 2.768 0 40 DFAB Cn1cnc2cc(NC(=O)c3cc(-c4ccoc4)[nH]n3)ccc21 524716634 XKTDORXICHWRPW-UHFFFAOYSA-N 307.313 2.809 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@H]1OC 529032292 SOGKGTJBGYUQGN-QJPTWQEYSA-N 305.365 2.511 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)NCCCn1ccnc1)[C@@H](C)C2 182413020 BXXRDWBFHCKCEN-YOEHRIQHSA-N 312.417 2.814 0 40 DFAB CCOC(=O)[C@@H](N)C1(Nc2ccc(OC)cc2)CCCCC1 72210566 QCKGUGVPMWCCHW-OAHLLOKOSA-N 306.406 2.700 0 40 DFAB O=C(CC1CCC(c2ccccc2)CC1)N1CCCS1(=O)=O 78715026 IURSTEZKQFYKCH-UHFFFAOYSA-N 321.442 2.913 0 40 DFAB COc1ccc(NC(=O)C[C@@]2(C(=O)O)C[C@@H]3C=C[C@H]2C3)cc1 72325165 JFWMNGFSKUTFFU-PEBVRCNWSA-N 301.342 2.691 0 40 DFAB Cc1nnsc1C(=O)Nc1nc(-c2cccnc2)cs1 72401928 YAGRLAPHUJSVCH-UHFFFAOYSA-N 303.372 2.617 0 40 DFAB O=C(O)c1cccc(NC(=S)Nc2cccc(C(=O)O)c2)c1 38534984 XQTXLNVJFLDDQA-UHFFFAOYSA-N 316.338 2.892 0 40 DFAB O=C(NCc1cccs1)[C@@H]1CCC(=O)N1Cc1cccs1 72239676 BCCJBIMKNHHKFF-ZDUSSCGKSA-N 320.439 2.617 0 40 DFAB CC(=O)Nc1ccc(C(=O)COc2cccnc2Cl)cc1 77494103 QMPHTORGFJGWFO-UHFFFAOYSA-N 304.733 2.955 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1ccnc(Nc2nccs2)n1 72377492 IBPSPKVGXFQOOI-GFCCVEGCSA-N 303.391 2.750 0 40 DFAB O=C(NCc1cnn2ccccc12)c1cc(-c2ccco2)on1 75162669 GWBAJFZQYMFOFM-UHFFFAOYSA-N 308.297 2.512 0 40 DFAB CC1CCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)CC1 226755237 HYLLJAXYTWPCHN-CYBMUJFWSA-N 301.390 2.599 0 40 DFAB CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 223196931 OMGVUKXUQCLFKH-JTQLQIEISA-N 314.838 2.778 0 40 DFAB COCC(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 69817918 AKERQTPXNXCDOG-UHFFFAOYSA-N 320.292 2.822 0 40 DFAB NC(=O)c1cnc(N2CCc3c(F)ccc(F)c3C2)c(Cl)c1 84489058 LBTFGAKBJRHUQT-UHFFFAOYSA-N 323.730 2.675 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1nnc([C@@H]2CCCO2)s1 80337160 WBBVBZQZFWWMBU-NSHDSACASA-N 322.390 2.566 0 40 DFAB Cc1ccccc1CS(=O)(=O)NCCOc1ccc(F)cc1 224167660 USMZCEVELXHHSX-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB CCc1cc(NC(=O)NC[C@H](C)Oc2ccccc2F)n(C)n1 96434948 RHMLWINUVFFVBX-NSHDSACASA-N 320.368 2.711 0 40 DFAB Cc1cc(=O)[nH]c([C@H](C)Sc2nccc(C(F)(F)F)n2)n1 96469053 SEUPYIKYUQWUOQ-ZETCQYMHSA-N 316.308 2.740 0 40 DFAB CC[C@H]([C@@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96519535 ITMKHERBOBIMBF-NEPJUHHUSA-N 321.236 2.696 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3cc(C)on3)C2)cc1 96192818 PJGSELBXMJTXTE-MRXNPFEDSA-N 315.329 2.513 0 40 DFAB CC(=O)N1CCN(C(=O)c2cccc3c2ccn3C(C)C)CC1 95479285 QLDWGOSQTXKVTE-UHFFFAOYSA-N 313.401 2.527 0 40 DFAB CCN(CC)C[C@@H]1CN(Cc2ccc(C)o2)Cc2nccn2C1 96059196 KXZUNYHAEXISHU-MRXNPFEDSA-N 316.449 2.758 0 40 DFAB CC[C@@H](CNC(=O)Nc1cnn(C)c1)Oc1cccc(C)c1 96455232 FWOKMOWJWJGKRE-AWEZNQCLSA-N 302.378 2.708 0 40 DFAB c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)cn1 247925263 ATHXBAGJSTZQTI-HRCADAONSA-N 303.431 2.624 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257215886 CSBCFYQIRLSAMO-LBPRGKRZSA-N 301.394 2.716 0 40 DFAB C[C@@H](C(=O)NC(C)(C)c1nc2ccccc2s1)n1cncn1 529694163 GCPPKHNRXWAXFG-JTQLQIEISA-N 315.402 2.500 0 40 DFAB Cc1csc(-c2ccc([C@H]3CCCN3S(C)(=O)=O)nc2)n1 257238457 HLBFBJVPLPYKLS-CYBMUJFWSA-N 323.443 2.610 0 40 DFAB CCc1ncnc(Nc2ccc(OC)c(NC(C)=O)c2)c1F 270959453 QQUQLUPZNMQCMJ-UHFFFAOYSA-N 304.325 2.889 0 40 DFAB COc1ccc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)nn1 282622474 AGIYXTIYTCYWGU-BXUZGUMPSA-N 305.403 2.509 0 40 DFAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 390827971 MTFVHKSCGGCJKH-IJDCCNJMSA-N 323.396 2.787 0 40 DFAB Cn1ncc(C2CC2)c1/C=C/c1nc(O)cc(C(F)(F)F)n1 585091647 FSXMJIFWIILJFB-SNAWJCMRSA-N 310.279 2.982 0 40 DFAB O=C(NCCCn1cc(Br)cn1)C1CCCCC1 27928926 YRCFUPQVLUJBIA-UHFFFAOYSA-N 314.227 2.732 0 40 DFAB COC(=O)NC(C)(C)C(=O)NCc1ccc(-c2ccccc2)o1 71847371 DRANPMQPLVXGOA-UHFFFAOYSA-N 316.357 2.697 0 40 DFAB CCN1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccc(C)cc12 58157475 LDGBIERWNNPJRM-SFHVURJKSA-N 307.353 2.688 0 40 DFAB C[S@](=O)CCNC(=O)N[C@@H](c1cccs1)C(C)(C)C 73756457 QECFJJMNDFTIKB-JEOXALJRSA-N 302.465 2.513 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCCc2cccc(F)c21 42675988 LTLZKYZCVAENGN-UHFFFAOYSA-N 310.350 2.572 0 40 DFAB CC(=O)O[C@H]1CCC2=C3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)[C@@H]2C1 5029420 RXRGTWKBQFDKKQ-PCLDSIFISA-N 316.397 2.993 0 40 DFAB COc1ccc(OCCn2nnc(-c3ccccc3C)n2)cc1 5169318 VBIRVHPKEHODEB-UHFFFAOYSA-N 310.357 2.736 0 40 DFAB CCc1nc2cc(NC(=O)c3cnc(C)nc3C)ccc2n1C 12147375 ASUPYGQWNQLHME-UHFFFAOYSA-N 309.373 2.795 0 40 DFAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)C1CC1 19574236 GVKGHIYDVORPOU-VIFPVBQESA-N 311.307 2.970 0 40 DFAB COc1ccc2oc(C(=O)N[C@@H](C)c3cn(C)nc3C)cc2c1 19583666 UGBTZTKUZOFHBV-JTQLQIEISA-N 313.357 2.974 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(CN(C)C)c2)s1 153885098 NDFZAAQLMKPKED-UHFFFAOYSA-N 310.444 2.919 0 40 DFAB CCc1cc2c(N[C@H](CCSC)C(=O)O)ncnc2s1 1814943 OUKMDYCZGUXJDV-SNVBAGLBSA-N 311.432 2.872 0 40 DFAB CCOC(=O)c1sc2ncnc(NCCCN(C)C)c2c1C 2886978 YEUQNYBPQGCLMG-UHFFFAOYSA-N 322.434 2.540 0 40 DFAB CNC(=O)c1ccc(NC(=O)CNc2cccc(C)c2C)cc1 11114934 QYCCHTSRNOGYGQ-UHFFFAOYSA-N 311.385 2.714 0 40 DFAB CSc1cccc2sc(N3CCC(C(N)=O)CC3)nc12 1889098408 FXSPULZGMWVKOQ-UHFFFAOYSA-N 307.444 2.720 0 40 DFAB Cc1noc([C@@H]2CN(C(=O)c3ccoc3)C[C@H]2c2ccccc2)n1 244970181 HNCRRJWTCSRYLM-JKSUJKDBSA-N 323.352 2.994 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(F)cc1 9823450 JXNKHGLXSAFNCA-HNNXBMFYSA-N 313.332 2.535 0 40 DFAB Cn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1 11695539 HBJOUBOYWUEPNR-UHFFFAOYSA-N 312.354 2.688 0 40 DFAB Cc1ccc2nc3sc(NCc4ccco4)nn3c(=O)c2c1 17121781 HHJZVOXWDAMMFF-UHFFFAOYSA-N 312.354 2.818 0 40 DFAB CNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccc(C)cc1 27987774 RMZLEEAMEOSCEZ-WJDWOHSUSA-N 312.344 2.651 0 40 DFAB Cc1cccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)c1 382553 HLYUNNSSXXUEGH-GOSISDBHSA-N 320.392 2.685 0 40 DFAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCC3)C[C@H]2C[C@@H]1O 2332242865 WOSPNJJSHIDHBM-MHORFTMASA-N 303.450 2.626 0 40 DFAB Cc1nccn1C[C@@H](O)COc1ccc(Cl)cc1Cl 74255 NUHXGNDYRXJOPH-LLVKDONJSA-N 301.173 2.938 0 40 DFAB COc1cc(C)c(CN(C)C(=O)c2ccc(C)nc2)cc1OC 30862938 FPJISWPMTJCHDJ-UHFFFAOYSA-N 314.385 2.988 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H](O)C1 40513985 GCJKYLAWCGJRCY-CQSZACIVSA-N 316.426 2.639 0 40 DFAB CN[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl 32690958 VRXGAMGYPLOBMB-VIFPVBQESA-N 316.015 2.986 0 40 DFAB C[C@H]1C[C@H](OC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)O1 32893232 WHNPTLPJEMCZEP-QFYYESIMSA-N 322.316 2.759 0 40 DFAB CCSc1nnc(S[C@@H](C(N)=O)c2ccccc2)s1 22240526 PATNURWAVZOPLY-SECBINFHSA-N 311.457 2.969 0 40 DFAB Cc1nc(CN2CCN(C(=O)Nc3ccccc3)CC2)cs1 22424530 WKHABVLIKXJQPZ-UHFFFAOYSA-N 316.430 2.801 0 40 DFAB Cc1csc(=O)n1Cc1cccc(C(=O)N2CCCCC2)c1 103916262 ZRZZKLPJRNMCQQ-UHFFFAOYSA-N 316.426 2.893 0 40 DFAB CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O 551080 APHVYXJZVANHDP-UHFFFAOYSA-N 304.195 2.835 0 40 DFAB CC(C)OCCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77648268 FJSWWZFYORSKOT-LBPRGKRZSA-N 320.216 2.958 0 40 DFAB Cc1cc(C)cc(OCC(=O)n2cc(Br)cn2)c1 2749112 VUBGJWYJQSGENB-UHFFFAOYSA-N 309.163 2.982 0 40 DFAB O=NN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1 4531884 UQUMSFLFNGDLDE-AWEZNQCLSA-N 310.313 2.524 0 40 DFAB S=C(NCc1ccco1)Nc1cccc(N2CCOCC2)c1 54988359 LPDSBMPTUYVIBV-UHFFFAOYSA-N 317.414 2.603 0 40 DFAB CCOC(=O)c1ccc(-c2ccc(CN[C@H](CC)CO)o2)cc1 7519867 HBDSSMJRQYQTCB-OAHLLOKOSA-N 317.385 2.984 0 40 DFAB O=C(Nc1cccc(F)c1)c1c(O)n2c3c(cccc3c1=O)CC2 1247850 NHTMCOAIANIWQJ-UHFFFAOYSA-N 324.311 2.655 0 40 DFAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1F 106179663 XKTNIWYYRCTVTL-HERUPUMHSA-N 324.783 2.738 0 40 DFAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccsc1 25119121 PCBMLPOXZQKHEY-SNVBAGLBSA-N 307.375 2.710 0 40 DFAB CC(C)CCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016782 CWYFAWDZAGQQOB-UHFFFAOYSA-N 314.393 2.843 0 40 DFAB COc1ccc(C(=O)Nc2c(C)nc3cc(C)ccn3c2=O)cc1 9617171 BDKJSAXMULSSFR-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)no1 108363605 WRNDJSOUXLOGDJ-HIFRSBDPSA-N 319.792 2.812 0 40 DFAB C[C@@H](O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405625 IQZCUUWEXNFWMM-HTRCEHHLSA-N 323.702 2.691 0 40 DFAB O=C(Nc1ncccc1O)c1cnn(-c2ccc(Cl)cc2)c1 44948935 ALTYOAHPYLHPHC-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCC(CN2CCOCC2)CC1 36103467 DXDCHJABXKKWML-UHFFFAOYSA-N 322.836 2.524 0 40 DFAB CC(C)Oc1cccc([C@@H](C)NC(=O)CSc2ncn[nH]2)c1 58301824 RFOFTBNEPMQXNR-LLVKDONJSA-N 320.418 2.561 0 40 DFAB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1ccncc1)C2 100148823 RZUNWEJVQZUCFI-IRXDYDNUSA-N 309.413 2.596 0 40 DFAB Cc1ccccc1N(CC(=O)N1CCCCC1)C(=O)[C@@H](C)Cl 60021354 IHHRLVLPTRPSDI-CQSZACIVSA-N 322.836 2.968 0 40 DFAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)[C@@H]1CCCO1 46732581 PSKXOVZPPAVGFH-SJORKVTESA-N 319.401 2.890 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2736970 NWESEKPSEOOZNV-VXGBXAGGSA-N 319.357 2.693 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccccc3O)CC2)c(C)o1 26527004 SJBNEPCLMOFMEH-UHFFFAOYSA-N 300.358 2.564 0 40 DFAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 3544533 SHTRQMWSXNSKPU-LBPRGKRZSA-N 313.328 2.960 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F 3510065 KAJBBLJFKBNREP-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(-n2cncn2)cc1 12920925 RNKFZBWGFFETSO-CYBMUJFWSA-N 324.359 2.826 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)CCn3cncn3)c2)c1 71184969 VUQVWOYKLVHVKG-UHFFFAOYSA-N 320.396 2.960 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)c2cc(Cl)ccc2Cl)C1 62912790 HHWQDVXBRKAFHV-CYBMUJFWSA-N 302.157 2.930 0 40 DFAB COc1cc(NCC2(c3ccccc3)CCN(C)CC2)ncn1 65369894 CQNBGNIMRWYRPW-UHFFFAOYSA-N 312.417 2.561 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cc3ccccc3[nH]c2=O)s1 65621317 RIGUXAYWEHPZBI-VOTSOKGWSA-N 311.366 2.515 0 40 DFAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(Cl)cc1 14234240 MOIGUYAWBTWQMH-UHFFFAOYSA-N 319.777 2.694 0 40 DFAB CCSc1nnc(NC(=O)COc2ccccc2F)s1 5443215 PXRWKFVFGVFSPX-UHFFFAOYSA-N 313.379 2.807 0 40 DFAB Cc1nc2sc(C(=O)NC3CCC(C)CC3)c(C)c2c(=O)[nH]1 6650995 OBPXYJXESVOJGH-UHFFFAOYSA-N 319.430 2.910 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)o1 4931542 VAVXNJHUYOTSFI-IFUGULHKSA-N 307.390 2.994 0 40 DFAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccccc2)CC1 7149750 KHDJMEOBXAPTBM-UHFFFAOYSA-N 302.324 2.927 0 40 DFAB Cn1c(SCc2nnc(-c3ccco3)o2)nnc1C1CC1 7235195 LXBXVVBTJRZPLK-UHFFFAOYSA-N 303.347 2.628 0 40 DFAB Cn1c(CCC(=O)OCc2ccccc2)nc2ccccc2c1=O 7268797 XACWQECJVBLRQI-UHFFFAOYSA-N 322.364 2.610 0 40 DFAB O=C(c1ccoc1)N1CCn2c(-c3cccc(F)c3)cnc2C1 306124752 BYJRONFNLCWYEL-UHFFFAOYSA-N 311.316 2.938 0 40 DFAB Cc1nc(C(F)(F)F)nc(N2CCC[C@]3(CCNC3)C2)c1C 67789115 HRWFGBIJDUCJSA-CQSZACIVSA-N 314.355 2.692 0 40 DFAB Cc1cccc(C2(NC(=O)NCc3nc(C)no3)CCCC2)c1 71799665 RGUOTVFZAMXEFW-UHFFFAOYSA-N 314.389 2.955 0 40 DFAB COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 8235148 GYQMGQYJNIOOHN-DZGCQCFKSA-N 318.417 2.632 0 40 DFAB Cc1nn(C)c(C)c1CCOC(=O)c1ccc(-n2ccnc2)cc1 97034353 UBXSHOUWKHUHIJ-UHFFFAOYSA-N 324.384 2.622 0 40 DFAB COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C 19942882 QFSZVGRULBOARL-RYUDHWBXSA-N 311.447 2.979 0 40 DFAB CC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 69476111 PTJWLTCVOXGCER-ZBFHGGJFSA-N 315.417 2.766 0 40 DFAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N(C)C1Cc2ccccc2C1 69566141 VJDGPBWIDXZTEQ-RDTXWAMCSA-N 317.429 2.586 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)NC[C@@H](O)c1cccc(F)c1 71904787 JUCONRRNQRAYPA-HZPDHXFCSA-N 309.381 2.713 0 40 DFAB C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1Oc1ccccc1 69744518 WNMYCQQFVRJYJH-XJKSGUPXSA-N 324.380 2.935 0 40 DFAB C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C(N)=O)cs1 92063909 MBMOGFXNIDXPNY-ZBEGNZNMSA-N 316.426 2.671 0 40 DFAB CNC(=O)C1(C(=O)N[C@H](C)c2cc3ccccc3o2)CCC1 69813088 ZKPSQIFRFQVFOK-LLVKDONJSA-N 300.358 2.526 0 40 DFAB CCc1ocnc1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72292214 HKSGYWSJKISOET-LLVKDONJSA-N 318.377 2.763 0 40 DFAB COCC1CCN(C(=O)Cc2c(Cl)cccc2OC)CC1 97143282 VTCRVVFWXZVNMC-UHFFFAOYSA-N 311.809 2.776 0 40 DFAB Cc1nc(NC(=O)Cc2c(C)noc2C)ccc1Br 72512349 UKNOGMRQUNFYLF-UHFFFAOYSA-N 324.178 2.939 0 40 DFAB O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccsc1)CC(O)=N2 95474358 MNHLVVHJZPOQHS-LLVKDONJSA-N 319.386 2.713 0 40 DFAB CC(=O)c1cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)n(C)c1 95435151 FGBPATUTNYKRDK-JTQLQIEISA-N 318.398 2.681 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H](O)c1ccccc1 74004050 YNFRKOMHYKGRDH-XPKDYRNWSA-N 303.308 2.671 0 40 DFAB CC(C)C[C@H](CCO)CNC(=O)N1CCS[C@H](C)[C@@H]1C 85414072 SUPRQZMHPPMXJX-MJBXVCDLSA-N 302.484 2.567 0 40 DFAB O[C@H](COc1cccc2ccccc12)COC1CCOCC1 95974855 FDYOXCLJCFMVEH-HNNXBMFYSA-N 302.370 2.775 0 40 DFAB CN(CCO)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 95986521 YKKZIDMZINESHU-AWEZNQCLSA-N 302.443 2.840 0 40 DFAB CC(C)OCC[C@H]1CCCCN1C(=O)c1cccc(C(=O)O)n1 95989939 CESJOEJSNKYQIE-CYBMUJFWSA-N 320.389 2.590 0 40 DFAB CCn1cc(CC(=O)N[C@@](C)(C(=O)O)C2CC2)c2ccccc21 95989592 MGFMYTQJAGEKGH-GOSISDBHSA-N 314.385 2.573 0 40 DFAB Cc1[nH]c2ncnc(NC(=O)Cc3noc4ccccc34)c2c1C 95986323 XDIYZOBNQRNRAD-UHFFFAOYSA-N 321.340 2.897 0 40 DFAB COC(=O)C[C@@H]1CCCCN1C(=O)[C@]1(C)CC1(Cl)Cl 95956318 RUVRMEPMWNIEBF-CABZTGNLSA-N 308.205 2.515 0 40 DFAB Cc1nn(C)cc1CCC(=O)N(CC(F)(F)F)C1CCCC1 75094316 CYIDDHWBXIAANG-UHFFFAOYSA-N 317.355 2.995 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(=O)n(C)c1 89930107 GQTLBYYUEBWLBR-GTNSWQLSSA-N 314.360 2.578 0 40 DFAB COc1ccc(CCC(=O)N2CCC3(CC2)OCCS3)cc1 70637262 XSQRVVQPEJQFBL-UHFFFAOYSA-N 321.442 2.710 0 40 DFAB Cn1nnnc1SCCCCCCCCCCC(=O)O 72408203 GCQHNOFENOHRQW-UHFFFAOYSA-N 300.428 2.898 0 40 DFAB CC[C@@H](OC[C@@H](O)CN(C)C)c1ccc(Br)cc1 72210036 LNXNUAULYINQFB-UONOGXRCSA-N 316.239 2.839 0 40 DFAB C[C@@]1(O)CCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 188249072 CLAPPIHSQIYMJS-DOTOQJQBSA-N 300.358 2.535 0 40 DFAB CC1(C)CCCN[C@@H]1C(=O)Nc1ccc(-c2cncnc2)cc1 564074343 YRBHFAPSHABNLX-MRXNPFEDSA-N 310.401 2.860 0 40 DFAB CC[C@]1(C)CN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CCO1 190183910 KYNCOSXUEUOZQL-SJKOYZFVSA-N 316.405 2.834 0 40 DFAB CSc1cccc(F)c1C(=O)N(C)CC(=O)NC(C)(C)C 225567966 AWFIXMIEDXWSQL-UHFFFAOYSA-N 312.410 2.534 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCCc2c1cnn2C 47491065 VQSKMPNVWVITFW-QGZVFWFLSA-N 322.412 2.946 0 40 DFAB CCCNC(=O)c1cc2nc(C(=O)O)n(CCC)c2cc1Cl 225731111 KJDGBNWBUDTAKY-UHFFFAOYSA-N 323.780 2.938 0 40 DFAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1cccc(F)c1 225318046 BZMGAWCLUTVJDF-UHFFFAOYSA-N 305.280 2.692 0 40 DFAB Cc1ccc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)nn1 96105974 PNQYHVIEBZQZGB-MRXNPFEDSA-N 317.433 2.587 0 40 DFAB Cc1ncsc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 98113862 LRXVXLVBHURDTH-LBPRGKRZSA-N 311.451 2.798 0 40 DFAB Cc1nn(C)c(C)c1CCOC(=O)c1cccc(OC(C)C)n1 96484610 CQSVXJXZCYEGER-UHFFFAOYSA-N 317.389 2.619 0 40 DFAB CC[C@@H](CNC1CCN(C(C)=O)CC1)Oc1cccc(C)c1 96455473 MURUCAPTCCBFCU-KRWDZBQOSA-N 304.434 2.753 0 40 DFAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(Cc1cccs1)C2 96220683 CSRLSCROBUHBIW-AEFFLSMTSA-N 320.502 2.928 0 40 DFAB O=C(NCc1cc[nH]n1)c1cnc(Cc2ccc(F)cc2)s1 96403533 SLDZLLSZTKXMIP-UHFFFAOYSA-N 316.361 2.526 0 40 DFAB Cc1nc(CN2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)cs1 96249306 HAPMRTRXUGUEQB-IAGOWNOFSA-N 321.490 2.527 0 40 DFAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 96198267 UGIMZVSHBGDTRR-MRXNPFEDSA-N 301.390 2.539 0 40 DFAB O=C(c1ccoc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96053884 UMMUXIIRMITQDF-HZPDHXFCSA-N 314.360 2.623 0 40 DFAB CC(C)[C@@]1(CO)CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)C1 333336430 DPBRNSRKQQCDKE-BQFCYCMXSA-N 308.466 2.863 0 40 DFAB C[C@@H]1CCO[C@@H]1C(=O)N(c1cccc(F)c1)C1CCOCC1 96494763 LROMRUIGQBPWRX-WBMJQRKESA-N 307.365 2.763 0 40 DFAB COc1ccccc1[C@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 96489707 TVBQVGGLKOBPKC-ZDUSSCGKSA-N 315.417 2.918 0 40 DFAB CN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 96406265 WEKPDSYCPBZLRO-MRXNPFEDSA-N 302.374 2.713 0 40 DFAB COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1cc(C)on1 96439461 HYHKVFBPNHRWMD-GFCCVEGCSA-N 317.389 2.764 0 40 DFAB C[C@@H]1C[C@H](N(C)Cc2nccn2C)CCN1Cc1ccccc1 96414932 NULWCOLXZRRKEF-SJLPKXTDSA-N 312.461 2.905 0 40 DFAB Cc1cc(C)cc(OCCN(C)C(=O)c2cnc(C)nc2C)c1 96494499 SEKHJXBXGWYMQS-UHFFFAOYSA-N 313.401 2.861 0 40 DFAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](C)c1nccs1 246918806 BPTBCSSPIDJHQW-GMTAPVOTSA-N 309.391 2.609 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257329751 XLJSFTPVGNCRFS-GFCCVEGCSA-N 317.364 2.886 0 40 DFAB COc1ncc(COc2ccc([C@H]3CCOC3)cc2)c(C)n1 531699814 KBLRNVYHWKWKQG-AWEZNQCLSA-N 300.358 2.877 0 40 DFAB CC(C)N1CCC[C@@H](Oc2ccc(-c3nnco3)cc2)C1=O 267102606 LHOODNDEPNVFIH-CQSZACIVSA-N 301.346 2.515 0 40 DFAB Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 269975115 YMZYJXQOKWKQBQ-ZANVPECISA-N 302.378 2.702 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 30266731 LFYHWLOWEXDBLO-VUDGCMKMSA-N 310.353 2.833 0 40 DFAB O=C(c1cccc(F)c1)N1CCCN(Cc2cscn2)CC1 69416219 JMMCTOBTWXSTPI-UHFFFAOYSA-N 319.405 2.630 0 40 DFAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)C1=CCCCO1 89768022 JCPAIZYNFPYJCD-NSHDSACASA-N 316.184 2.837 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@@H]3CC=CC[C@H]3C2)c1 96007437 GYCDHJWQCLUVJT-GJZGRUSLSA-N 319.426 2.695 0 40 DFAB Cn1c(=O)cc(Cl)c2cc(I)ccc21 1776011283 GOPYMQFYUYWZBN-UHFFFAOYSA-N 319.529 2.797 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c(OC)c1 14255238 OWPCNOVWYJTSMN-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17052444 UVMZXUCARQBRNW-YRVYGCIDSA-N 313.397 2.927 0 40 DFAB C=Cn1ncc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)c1C 19554388 AORXMCYHILMTNB-DLBZAZTESA-N 320.506 2.694 0 40 DFAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 6326320 OQVUYSVOHRCMEI-WDZFZDKYSA-N 324.427 2.557 0 40 DFAB Cc1sc2ncn(CC(=O)OCCC(C)C)c(=O)c2c1C 552847 BWHNQLFSRIOMNR-UHFFFAOYSA-N 308.403 2.664 0 40 DFAB Cc1cc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c(C)o1 225567250 JBZHGOBYSGITPS-HNNXBMFYSA-N 322.474 2.844 0 40 DFAB C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](O)C1 14594736 ZDFOBOYQVYMVCW-IRUSZSJRSA-N 320.429 2.599 0 40 DFAB in-vitro O=C(CSc1nnc2ccccn12)c1cc(F)ccc1F 6114925 GBPKNVDZQDFQPF-UHFFFAOYSA-N 305.309 2.983 0 40 DFAB O=C(NCc1ccccc1CN1CCCCC1)c1cccnc1 24182165 UJPXMWAOCZQACZ-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 2706561 XCKCDDQLOSAFQN-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1cccnc1)C(=O)O 5258850 QWASCNVATZKQDE-HIFRSBDPSA-N 321.421 2.669 0 40 DFAB c1nc(CN2CCC(COc3ccc(C4CC4)nn3)CC2)co1 1775965613 GMAJHODBICBWJB-UHFFFAOYSA-N 314.389 2.633 0 40 DFAB COC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1 22001816 URXVCWRBGMVVBV-IRXDYDNUSA-N 309.365 2.858 0 40 DFAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cn1 40143494 FFWNSPMXEQYMSY-CYBMUJFWSA-N 319.430 2.575 0 40 DFAB CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OCC 147566 ZPHJUWQNQNHUHX-HQPKTYMTSA-N 319.401 2.792 0 40 DFAB Cc1nc(NC(=O)C2CCN(CC(F)(F)F)CC2)sc1C 40536400 FIAHFEZJSUJCGG-UHFFFAOYSA-N 321.368 2.973 0 40 DFAB Cc1cc2c(=O)n(Cc3cc(-c4ccccn4)no3)cnc2s1 32518028 UDWUUGOIDNHVMC-UHFFFAOYSA-N 324.365 2.865 0 40 DFAB O=C(O)CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 378703 LEMFGUMTQLTDBL-LBPRGKRZSA-N 316.313 2.805 0 40 DFAB O=C(NCc1ccncc1)c1cc(F)cc(Br)c1 32930850 PGGHFWQAUROBMU-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB O=C(NCC1CC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 32906065 VWXNTTRKYRGJTJ-UHFFFAOYSA-N 319.364 2.526 0 40 DFAB COC(=O)c1cc(CN(C)C(=O)c2cc(C)ccc2O)oc1C 21966058 JAKLTDQTMUQRSJ-UHFFFAOYSA-N 317.341 2.661 0 40 DFAB CCn1cc(CNC(=O)c2cc(-c3cccs3)on2)c(C)n1 2805560 CQTVTSVZLNPRLN-UHFFFAOYSA-N 316.386 2.858 0 40 DFAB COC(=O)Nc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 47710673 PKHFIGMRZIXVEM-GHMZBOCLSA-N 307.350 2.506 0 40 DFAB NC(=O)C1(NC(=O)c2cc3cc(F)ccc3s2)CCCCC1 77398057 GWUPSDMUVSJJRS-UHFFFAOYSA-N 320.389 2.958 0 40 DFAB COc1ccccc1CCN(C)S(=O)(=O)c1ccccc1F 78517415 AGYQSFITVKUOIU-UHFFFAOYSA-N 323.389 2.698 0 40 DFAB COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C=O)cc1 78549309 DWXSAVXAEOULJV-INIZCTEOSA-N 324.336 2.731 0 40 DFAB O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N[C@@H]1CCCC[C@@H]1O 78748033 KSNKRLOPPRCZMA-TWMKSMIVSA-N 318.417 2.509 0 40 DFAB CN(C)C(=S)N(C(=S)N(C)C)c1ccc(Cl)cc1 1604712 KOLVIFZCRYDKFA-UHFFFAOYSA-N 301.868 2.839 0 40 DFAB CCCCC(CCCC)(S(=O)(=O)CC)S(=O)(=O)CC 1703750 MDXDDNGKFLOOIH-UHFFFAOYSA-N 312.497 2.933 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)o1 3334571 QFNUNZZZIGSQLU-UHFFFAOYSA-N 316.382 2.904 0 40 DFAB COc1cccc(OC)c1OC[C@@H](O)CN1[C@H](C)CCC[C@H]1C 3893574 BQFMWXUYIDVNHD-KFWWJZLASA-N 323.433 2.706 0 40 DFAB Cc1cc2cn[nH]c2cc1NC(=O)c1ccc(N2CCCC2)nn1 104921034 QINWOTVEIGUEAM-UHFFFAOYSA-N 322.372 2.514 0 40 DFAB CC[n+]1cn(C[C@H](O)COc2ccccc2C)c2ccccc21 4137674 YBWSLKSVGFBNIV-INIZCTEOSA-N 311.405 2.697 0 40 DFAB CCOc1ccccc1CN(C)C(=O)c1ccc2[nH]nnc2c1 54586814 TYCCUYLININTTR-UHFFFAOYSA-N 310.357 2.629 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCO[C@H](C)C1 24498232 ZMPSGCCKDSESHW-SNVBAGLBSA-N 306.387 2.501 0 40 DFAB C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 7514841 HWXBLJQKSJHSIJ-XJKCOSOUSA-N 321.392 2.995 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cn1 24992883 VUYUYUVGQMRCCO-INIZCTEOSA-N 309.369 2.633 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCCc2c1cnn2C 24990004 VCPTZFMPNNBYIU-GFCCVEGCSA-N 302.378 2.647 0 40 DFAB O=C(NCc1nc(Cc2ccccc2)no1)[C@@H]1C[C@H]2CC[C@H]1C2 107317805 CYUSEIYETUMWAP-SOUVJXGZSA-N 311.385 2.713 0 40 DFAB O=C(CCn1cncn1)Nc1ccc(Cl)cc1-n1cccc1 75138604 PWJRIOGABICREF-UHFFFAOYSA-N 315.764 2.751 0 40 DFAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C1CCCC1 58183649 ACZVHZGCQXHPRT-QGZVFWFLSA-N 320.408 2.505 0 40 DFAB O=C(O)[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 62133763 VQMCUHPOEWUYBV-NSHDSACASA-N 306.749 2.902 0 40 DFAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@H]1CCOC1 58264830 WOGOXAXMWCKPPQ-JTQLQIEISA-N 324.352 2.987 0 40 DFAB Cc1noc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 58232312 PDQCGEAMFWGHOZ-MNOVXSKESA-N 322.162 2.883 0 40 DFAB c1coc(-c2cc(CN3CCC[C@@H](N4CCCC4)C3)no2)c1 44975503 CAZXFZIIUUQOBR-OAHLLOKOSA-N 301.390 2.995 0 40 DFAB Cc1ncc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 89730113 RGYHFSQJTQLLIW-MCIONIFRSA-N 321.446 2.598 0 40 DFAB CN(CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 58342875 OJSQUBHRNALEQD-LSDHHAIUSA-N 320.820 2.524 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2cccs2)C1 27954347 QFHLJXJUNZGVAX-QWHCGFSZSA-N 314.476 2.862 0 40 DFAB Cn1ccnc1CNC(=O)NCC1(Cc2ccccc2)CCC1 89761451 UBPKNNVQQHQHDG-UHFFFAOYSA-N 312.417 2.632 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(C)c1 12777421 VLTLUHYLXHHLSA-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB COCCOc1ccc([C@H](C)NC(=O)c2ccoc2)cc1OC 48355558 XUXOSYLQTQHVSK-LBPRGKRZSA-N 319.357 2.804 0 40 DFAB CC(C)N(C)Cc1ccccc1CNc1ccc2nncn2n1 48345591 ITMSTLMQIMPNET-UHFFFAOYSA-N 310.405 2.577 0 40 DFAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@@H]1c1cccnc1 29305774 VSXPLZWEQNUBSR-QGZVFWFLSA-N 319.368 2.640 0 40 DFAB C[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc2c(c1)CCCC2 60381224 GLNBXGYGVCNEMM-NSHDSACASA-N 323.400 2.709 0 40 DFAB CCC(C)(C)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 12879734 CPRYMMBCGANERH-UHFFFAOYSA-N 317.364 2.598 0 40 DFAB O=C(COc1cccc2c1CCCC2=O)NC(C1CC1)C1CC1 89800246 WMJLIUUSUVVVOX-UHFFFAOYSA-N 313.397 2.889 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1cccnc1N1CCCC1 12919997 XGPIOLLMTYPAMN-INIZCTEOSA-N 323.396 2.935 0 40 DFAB Cc1cc(C)n2nc(SCc3nccn3C(F)F)nc2n1 9114997 NJDGJKCDOISBGU-UHFFFAOYSA-N 310.333 2.625 0 40 DFAB COc1ccc(NCCc2n[nH]c(-c3cccc(N)c3)n2)cc1 62719288 MSNFWALEEZAJSV-UHFFFAOYSA-N 309.373 2.717 0 40 DFAB CC(C)(C)CCCNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 96009963 FTBQUGSEKBZTDT-CQSZACIVSA-N 312.454 2.997 0 40 DFAB COc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1 13845342 GLJQALJUYLGGHF-UHFFFAOYSA-N 313.313 2.910 0 40 DFAB c1ccc2[nH]c(C3CCN(CCC4OCCO4)CC3)nc2c1 4315031 HBMJIOFRBYAVCN-UHFFFAOYSA-N 301.390 2.505 0 40 DFAB O=C(C[C@@H]1COCCN1C(=O)c1ccc(Cl)o1)c1ccco1 95439910 BBCNTXSQKCSBJJ-SNVBAGLBSA-N 323.732 2.640 0 40 DFAB O=C(C1CCN(c2ncccn2)CC1)N1CC[C@H]1c1ccccc1 65552965 JXCIVYZCCHLRJE-KRWDZBQOSA-N 322.412 2.667 0 40 DFAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCCC1 6560273 DSKHTSVUOHHMFP-UHFFFAOYSA-N 320.443 2.996 0 40 DFAB CC[C@@H](CO)N1CCN(Cc2cc3ccccc3s2)CC1 93739859 LIAVKLZOIOQZDD-HNNXBMFYSA-N 304.459 2.790 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2)c1C 5965893 DSVOIBLEHCTABL-UHFFFAOYSA-N 305.305 2.819 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1Cl 7305185 SWNFTYQWHTXPHE-QMMMGPOBSA-N 314.794 2.984 0 40 DFAB O=C(CNC(=O)c1ccccc1Cl)OCc1ccccc1 15950753 LXBRCAUGSPYSGE-UHFFFAOYSA-N 303.745 2.813 0 40 DFAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc(-c3ccoc3C)o2)n1 96469025 BHUMOFNMORPHOM-SECBINFHSA-N 318.358 2.883 0 40 DFAB C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1N1CCCCC1 96496669 ALZWOWHSNNCPSY-HOCLYGCPSA-N 302.418 2.718 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cccc(OC)c2)C1 16891184 NVOKHMAQXSDONI-FEAKQIBJSA-N 317.385 2.510 0 40 DFAB CCNC(=O)[C@H](C)Sc1nc(NC2CC2)c2ccccc2n1 9593703 LEJZLFIIWGSYJU-JTQLQIEISA-N 316.430 2.821 0 40 DFAB CC[C@H](C)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 69383265 LMCLMLXGSABSQG-NSHDSACASA-N 313.357 2.957 0 40 DFAB O=C(CCNc1ncccn1)N[C@H]1C[C@H]1c1ccccc1Cl 69435845 XXSOLMFZQKTKHF-JSGCOSHPSA-N 316.792 2.604 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NC3CCC(C(N)=O)CC3)cc2C1 69414371 YNMVNJULDGDIBK-XSRFYTQQSA-N 320.458 2.647 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cccs1 71858747 JGTUJVZCRJNMPC-UHFFFAOYSA-N 302.334 2.602 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cccc3[nH]ncc23)n1 71870141 SRJVXUBUOHRTKM-CQSZACIVSA-N 323.400 2.681 0 40 DFAB CCN1CCO[C@@H](CNCc2nc(-c3ccccc3)cs2)C1 71880848 NHTAQEQJTMLKTF-HNNXBMFYSA-N 317.458 2.620 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nnc(C(F)F)s1 69859353 WPFASFWTPVMLHI-YFKPBYRVSA-N 315.349 2.568 0 40 DFAB COc1ccsc1C(=O)N1CCCC[C@H]1Cn1cccn1 69969993 MKSTVNAWOOSHSN-LBPRGKRZSA-N 305.403 2.648 0 40 DFAB CCc1noc(Cn2c(-c3ccccc3)c(C)sc2=O)n1 71903259 FCGDIIAZWIKFIU-UHFFFAOYSA-N 301.371 2.879 0 40 DFAB C[C@H](NC(=O)N1CCOC[C@@H]1c1ccccc1)c1cccnc1 73523809 INWRYDSZGRBPRK-WMLDXEAASA-N 311.385 2.926 0 40 DFAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c(F)c1 9836625 BCLWUFHHVAYVOM-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB O=C(OCC(=O)c1ccc(O)cc1O)c1ccc(Cl)s1 9836529 PPPXQWDKVHYLSH-UHFFFAOYSA-N 312.730 2.852 0 40 DFAB CO[C@H](C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)c1ccccc1 84110155 MTWQJHFKQQSTLB-RDJZCZTQSA-N 313.401 2.812 0 40 DFAB Cc1nc([C@H](C)NC(=O)CCc2ccccc2)sc1C(=O)O 97050091 VFCZIXUKIOKLDP-NSHDSACASA-N 318.398 2.960 0 40 DFAB Cc1ccsc1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 97018633 WRPMPJXQBMDKIF-ZDUSSCGKSA-N 303.383 2.730 0 40 DFAB CC(C)c1nc(C(=O)Nc2cncnc2N2CCCC2)cs1 97137770 WRKPPGFYBJUULW-UHFFFAOYSA-N 317.418 2.909 0 40 DFAB O=c1n(Cc2ccccc2)c2ccncc2n1Cc1ccccn1 97148448 WWNPNSJAONJNMZ-UHFFFAOYSA-N 316.364 2.690 0 40 DFAB Cn1c(C2CC2)nc2c1CCN(c1ncnc3sccc13)C2 84310971 OCXLAZGLVMZWMW-UHFFFAOYSA-N 311.414 2.865 0 40 DFAB O=C(NCc1noc([C@H]2CC2(Cl)Cl)n1)c1ccccc1 95959372 ZPFRHPYGGIKNDI-SECBINFHSA-N 312.156 2.661 0 40 DFAB CCC(CC)(CC)NC(=O)c1cnc2cc(C)ccn2c1=O 95961269 ABQWJGDCQPCKJV-UHFFFAOYSA-N 301.390 2.702 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Cc1cccc(Cl)c1 408617995 BOYPTLQINDHEIE-WGGGBPLMSA-N 313.784 2.893 0 40 DFAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1cccnc1 32647537 PCQODPKVSWELLT-UHFFFAOYSA-N 313.748 2.627 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2nc(C)cs2)n1 72382426 CCMFZLPUHKICQJ-LBPRGKRZSA-N 317.418 2.977 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218361833 BVBAJLBCSCBTQJ-ARFHVFGLSA-N 316.378 2.636 0 40 DFAB O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 35812027 LBYACMSEBZZFKO-GHXNOFRVSA-N 315.306 2.969 0 40 DFAB Cc1cc(C)nc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 72203100 HBZCLBJTPUCRPH-CYBMUJFWSA-N 307.394 2.872 0 40 DFAB C[C@@H]1C[C@@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)O1 79030299 MUDYXKRKPXHHEQ-QMTHXVAHSA-N 300.314 2.648 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2nc(C)no2)cc1 74951208 SWOINWZDMDFQGK-HOCLYGCPSA-N 316.357 2.898 0 40 DFAB CCn1cc(-c2nn3c(C(F)(F)Cl)nnc3s2)c(C)n1 49550471 KPFMVTTUIVGJQX-UHFFFAOYSA-N 318.740 2.666 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)cn1 69668637 RLFUPOOMMQVDQF-GOEBONIOSA-N 313.426 2.801 0 40 DFAB Nc1ncncc1-c1noc([C@@H]2CC[C@H]2c2ccc(F)cc2)n1 528168674 NVQWBGHBLCLUCM-NWDGAFQWSA-N 311.320 2.909 0 40 DFAB COc1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 86053454 JBSSYSIPWWBTAV-UHFFFAOYSA-N 323.352 2.721 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)c2ccc(F)c(C)c2)cc1 225607416 WOVSQUPNAABOCS-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB Cc1ccc(C(=O)N2CCC(n3ccnn3)CC2)c(Cl)c1 225434130 MYVRZEDQKDFZHW-UHFFFAOYSA-N 304.781 2.717 0 40 DFAB CN(c1ccccc1)c1cc(N2CCC(CCN)CC2)ncn1 573569092 KAPCLTSTANAYMY-UHFFFAOYSA-N 311.433 2.810 0 40 DFAB Cc1ccc(C(=O)NC[C@H](C)Sc2ccccc2)c(=O)[nH]1 81110296 ZTPBGCUBEDQHBU-LBPRGKRZSA-N 302.399 2.594 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646128 SZZVDXJNJNBOFO-CYBMUJFWSA-N 314.360 2.993 0 40 DFAB C[C@@H](NCc1nnc(C2CC2)o1)c1ccc(-n2ccnc2)cc1 96501560 YHVQJJOHDUCDOK-GFCCVEGCSA-N 309.373 2.984 0 40 DFAB O[C@@H](CN[C@H]1CC2(CCC2)Oc2ccccc21)COCC1CC1 95421433 CXHSTUPKPAAPRQ-RDJZCZTQSA-N 317.429 2.810 0 40 DFAB Cc1nnc(C[C@H]2C[C@H]3CN(Cc4sccc4C)C[C@H]3O2)o1 96218924 FIYRDJRIPYVTHE-BFHYXJOUSA-N 319.430 2.580 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)COCC(C)C 96415404 OOBLCYVWFRYCSH-RYUDHWBXSA-N 311.426 2.583 0 40 DFAB O=C(CN1CCC(C(F)(F)F)CC1)Nc1c(O)cccc1F 96495807 KHKOWGMTOZEYIV-UHFFFAOYSA-N 320.286 2.744 0 40 DFAB CCCn1nc(C)c(CNc2cc(C(=O)N(C)C)ccn2)c1C 97095790 XMBIEJLZGRZITM-UHFFFAOYSA-N 315.421 2.619 0 40 DFAB C1CC(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 96220708 ARNXPAPBUIQWMN-UYAOXDASSA-N 318.505 2.999 0 40 DFAB CN(C)c1ccc(Cl)cc1NC(=O)NC[C@H]1CCC[C@@H]1O 96435039 YQYZCYDRNOKVIE-YGRLFVJLSA-N 311.813 2.689 0 40 DFAB O=C(c1ccoc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 96053883 UMMUXIIRMITQDF-HOTGVXAUSA-N 314.360 2.623 0 40 DFAB O=C(O)c1cc(Br)c(-c2ccccc2F)[nH]c1=O 96517600 KCNBWZBMOUDPTN-UHFFFAOYSA-N 312.094 2.642 0 40 DFAB C[C@@]12CC[C@@H](O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]3C[C@@H](O)C[C@@]3(C)CC[C@H]12 257346376 ZAWMFAFHPALWCD-XPZKLPTHSA-N 308.462 2.722 0 40 DFAB CC(=O)N1CCN(Cc2cccc(C)n2)[C@H](c2ccccc2)C1 257300822 RVVNFYITYBRSLK-IBGZPJMESA-N 309.413 2.795 0 40 DFAB Fc1ccc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)nc1 257277784 NZIYWSHDMNUXQP-ZDUSSCGKSA-N 311.364 2.872 0 40 DFAB c1cc(C[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)[nH]n1 257254750 KEMWNVQIMCPBPU-CQSZACIVSA-N 313.401 2.636 0 40 DFAB O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 535529056 MMANBUQWIVBBOA-CWRNSKLLSA-N 310.401 2.966 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(F)cn3)C2)nc1 286223602 HCCWIHLXNYYCEG-CYBMUJFWSA-N 314.364 2.779 0 40 DFAB CCCCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575404524 NLXUDLQDHCLLRF-CYBMUJFWSA-N 306.431 2.737 0 40 DFAB CC[C@@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccccc1 58052341 LAIVFWHDVQPCJR-KGLIPLIRSA-N 311.447 2.508 0 40 DFAB CC(C)[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccn1 74346426 MDPHBDDJUQQXBU-VYDXJSESSA-N 316.449 2.657 0 40 DFAB c1ccc(OC[C@@H]2CCCN2Cc2cnc3cnccn23)cc1 93364504 XLYSHCRYRKTXTB-HNNXBMFYSA-N 308.385 2.773 0 40 DFAB Cn1cc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cn1 97197978 YOPNCXGYKDSCSU-SFHVURJKSA-N 321.428 2.832 0 40 DFAB CN1CCc2nc(NC(=O)c3c(F)cccc3F)sc2C1 98070055 XZHALJHKPSXDSW-UHFFFAOYSA-N 309.341 2.662 0 40 DFAB COc1cccc(N2C[C@@H](NC(=O)c3ccc(C)cc3)CC2=O)c1 5194717 OLLLOVCWIGKPRW-HNNXBMFYSA-N 324.380 2.539 0 40 DFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)C2CC2)C1 12220982 GDNJQICEEWRRTE-AWEZNQCLSA-N 314.433 2.617 0 40 DFAB Cc1ncc(-c2ccncc2)c(CN(C)C(=O)c2cccnc2)n1 12337678 BSPOVFILHDZZSC-UHFFFAOYSA-N 319.368 2.514 0 40 DFAB OC1(c2cccnc2)[C@H]2CCC[C@@H]1CN(Cc1ccccn1)C2 19401510 JBCQMBSZQJMCAO-JJTKIYQPSA-N 309.413 2.596 0 40 DFAB Cc1nc2cc([C@H]3CCCCN3C(=O)C3CC3)nn2c(O)c1C 12161448 XHIGODFMLWWXHY-CQSZACIVSA-N 314.389 2.515 0 40 DFAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC1 7108454 XLUSUHJKJMVZIY-SSDOTTSWSA-N 302.157 2.817 0 40 DFAB O=C([C@H]1CN(Cc2ccccc2Cl)CCO1)N1CCCCC1 1888849836 ZVUSTRLZVNKKLC-MRXNPFEDSA-N 322.836 2.553 0 40 DFAB Cc1ccsc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 22900595 YVIGZUKKECVGCX-UHFFFAOYSA-N 318.398 2.684 0 40 DFAB Cn1nc(Cn2cccc2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2 1614936546 APBHSSNQOVDMLZ-IBGZPJMESA-N 324.428 2.859 0 40 DFAB O=C([C@H]1CCC2(CCN(C(=O)C3(F)CC3)CC2)C1)N1CCCC1 1565549786 CNEVLXBBIFOEMU-AWEZNQCLSA-N 322.424 2.520 0 40 DFAB O=C(Nc1nnc(-c2ccncc2)o1)c1c(F)cccc1F 4107500 PZTNYHYELGJXFY-UHFFFAOYSA-N 302.240 2.662 0 40 DFAB Cc1cc(C)n([C@H](CNC(=O)c2ccno2)c2ccsc2)n1 618256558 UNHDSQQZXLHGEG-CYBMUJFWSA-N 316.386 2.569 0 40 DFAB C/C=C/C=C/C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30507764 KWWLHISVDOJEPX-CSAQOVDESA-N 300.358 2.875 0 40 DFAB c1cncc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1 20388768 KZCQDDCTCRUHAO-UHFFFAOYSA-N 322.368 2.631 0 40 DFAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccco1 32295199 HSCSCKQNZMMJMY-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB O=C(NCCCO)c1cc2sccc2n1Cc1ccccc1 40809171 WXIVIGGXBJZLBE-UHFFFAOYSA-N 314.410 2.863 0 40 DFAB COc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 32398891 FAUVGBKWUHXWMZ-UHFFFAOYSA-N 324.424 2.873 0 40 DFAB C[C@H](CNC(=O)[C@@H](C)Sc1nnc(N)s1)c1ccccc1 32838688 PFXSMMLIGNWXCH-NXEZZACHSA-N 322.459 2.521 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1F 21743041 TYNJLKZIYSFMPB-UHFFFAOYSA-N 322.723 2.978 0 40 DFAB CN(CCCNS(=O)(=O)c1cccs1)Cc1ccccc1 41529203 SDCAGRDARGUDCR-UHFFFAOYSA-N 324.471 2.549 0 40 DFAB CC(C)Oc1cccc([C@H](C)NC(=O)[C@H](C)n2cncn2)c1 47000685 BDCHVPZNUOFRIT-STQMWFEESA-N 302.378 2.504 0 40 DFAB Cc1ccc(C)c(CN(C)C[C@H](O)COCCOC(C)C)c1 78601919 MDWWFSZJJJVSIY-SFHVURJKSA-N 309.450 2.538 0 40 DFAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccn(C)c(=O)c1 79072600 RXGSMEWNNWZBJY-UHFFFAOYSA-N 300.358 2.775 0 40 DFAB C[C@H](CCCO)NC(=O)Nc1nnc(C2CCCCC2)s1 79072265 XPIZXYLOVVHBJP-SNVBAGLBSA-N 312.439 2.868 0 40 DFAB O=C(Nc1nc[nH]n1)c1cc(-c2cccnc2)nc2ccccc12 23142498 CZKGEIWYAJZATI-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(C(C)(C)C)o2)on1 42569565 AHQHLSSFLMGPHD-QMMMGPOBSA-N 310.379 2.783 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 4731996 IJQYMAVJTWBNDZ-MELADBBJSA-N 318.392 2.683 0 40 DFAB CCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 6594781 FQSMXXVTDQSMGR-GFCCVEGCSA-N 312.435 2.892 0 40 DFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 6791176 GRTUGLAVJUZJDL-GFCCVEGCSA-N 312.435 2.748 0 40 DFAB CN(C)C(=S)/N=c1/ssc(=S)n1Cc1ccco1 100573385 FWHDXWLCPICIAQ-PKNBQFBNSA-N 317.486 2.729 0 40 DFAB CCc1nnc(SCCCOc2ccccc2C(=O)O)n1C 8731686 MGOUFHQVRFJHFP-UHFFFAOYSA-N 321.402 2.637 0 40 DFAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1oc3ccccc3c1C)CCO2 107720239 LFNNVOSJYCOGFG-FRFSOERESA-N 315.369 2.760 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CC1CC1 47903753 VOVWIYWZMCXBKC-UHFFFAOYSA-N 311.385 2.540 0 40 DFAB CCc1nnsc1C(=O)NCCCO[C@@H](C)c1ccccc1 25672750 XWKXYLRAWUDOET-LBPRGKRZSA-N 319.430 2.998 0 40 DFAB COC(=O)C(C)(C)NC(=O)Cc1ccc(-c2ccccc2)cc1 23152612 TYNOAGCPZFPSBS-UHFFFAOYSA-N 311.381 2.964 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)NCCC1=CCCCC1 3297936 KCCSSPDPIPPTPO-UHFFFAOYSA-N 305.349 2.989 0 40 DFAB O=C(O)[C@@H]1CCCN(Cc2ccc(Br)cc2F)C1 35296621 MPCLIOMLOSCJQZ-SNVBAGLBSA-N 316.170 2.885 0 40 DFAB O=C(CN1CCOc2ccccc21)NCC1(c2ccccc2)CC1 26201205 FBABXNJGSPIOQF-UHFFFAOYSA-N 322.408 2.733 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccccn2)c2cccnc12 58064219 TYOILTRZUTWQPT-UHFFFAOYSA-N 313.382 2.763 0 40 DFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)c1ccccc1 27541774 XXHDLGGNNPUESE-DNVCBOLYSA-N 322.412 2.994 0 40 DFAB COC(=O)c1ccc(CCNC(=O)Cc2cccc(F)c2)cc1 44896372 IBTIQQWJKGWGOL-UHFFFAOYSA-N 315.344 2.514 0 40 DFAB O=C1[C@H]2CN=N[C@@H]2C(=O)N1c1ccc(Cl)cc1C(F)(F)F 103583039 OMDQVPOQBWEUFF-RCOVLWMOSA-N 317.654 2.683 0 40 DFAB O=C(NC1CCCC1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1 107265903 PTOQOZNHJWHOJC-UHOFOFEASA-N 301.390 2.575 0 40 DFAB O=C(Nc1cc(F)ccc1F)N[C@@H]1c2ccccc2C[C@@H]1O 58343576 MELNIRKHIRXHGE-LSDHHAIUSA-N 304.296 2.745 0 40 DFAB CC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)C 3344852 YJZUAHWSRXKDIR-UHFFFAOYSA-N 318.870 2.737 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H](C)c2nc(C(C)C)no2)[C@@H](CC)C1 84736187 GGIWWTWMKLAHQZ-IHRRRGAJSA-N 322.453 2.881 0 40 DFAB CC(=O)c1c[nH]c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 29066464 ACAUCSJMTOLURI-UHFFFAOYSA-N 311.345 2.795 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1 29322468 MVQJJWAFLVUNOO-ZHACJKMWSA-N 312.413 2.561 0 40 DFAB Cc1c(NS(=O)(=O)c2cccc(F)c2)cccc1C(=O)O 59880775 MXWGARHYOYIRIJ-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1ccc(O)c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 12820644 OXFHREZCFKUHTQ-CYBMUJFWSA-N 313.353 2.613 0 40 DFAB CN(CC(F)(F)F)C(=O)CSc1nc2ccccc2[nH]1 48581675 CHXAZNOJFVISSN-UHFFFAOYSA-N 303.309 2.676 0 40 DFAB CCN(C(=O)[C@H](C)Sc1nnc(N)s1)c1ccccc1 3556504 MBSFQBWRSJHRPU-VIFPVBQESA-N 308.432 2.654 0 40 DFAB Cc1ccc(-c2nc(CC(=O)N3CCSCC3)cs2)o1 48791126 RUVKDIBOKZBSAF-UHFFFAOYSA-N 308.428 2.829 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3cccnc3)c12 9157566 MKVCQNVPVGOUHT-UHFFFAOYSA-N 308.341 2.734 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(Cl)s1 49445749 GCTAEECMZROSDB-IUCAKERBSA-N 317.842 2.504 0 40 DFAB CCOc1ccc(OCC(=O)Nc2cccc3c2OCO3)cc1 97238648 XABOPWOHSGDTPI-UHFFFAOYSA-N 315.325 2.832 0 40 DFAB O=C(COC(=O)c1ccccc1F)NCc1cccc(Cl)c1 6059006 OTIJIMXXWBAKNB-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 96001207 MRWJDPBXYQFWGB-AWEZNQCLSA-N 315.377 2.736 0 40 DFAB NC(=O)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6289995 NGNINWXREAACRI-UHFFFAOYSA-N 313.397 2.950 0 40 DFAB COc1cccc2c1N(Cc1nc3ccccc3[nH]c1=O)CCC2 65458800 WNQDQQPDMKXKKD-UHFFFAOYSA-N 321.380 2.885 0 40 DFAB CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc(F)cc2)cc1 97037032 LVLKSOILPSEMQQ-NSHDSACASA-N 308.378 2.907 0 40 DFAB COc1cccc(CN2CCO[C@@H](C)[C@H]2C)c1OC(F)F 93418127 POGWLZMLZGKPGF-MNOVXSKESA-N 301.333 2.906 0 40 DFAB COc1ccc(Cl)cc1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 14285708 QRZWEOAEVVAZIC-STQMWFEESA-N 305.761 2.800 0 40 DFAB CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)o1 72286869 FRWIJQAHDKFXQQ-CYBMUJFWSA-N 313.357 2.682 0 40 DFAB COc1ccccc1CC(=O)OCC(=O)Nc1ccccc1F 7035289 JJIYQVWHLNRHCX-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB O=C(NCc1ncc[nH]1)C1(c2ccc(F)cc2F)CCCC1 90043768 MDWGRKPQRJUSQW-UHFFFAOYSA-N 305.328 2.816 0 40 DFAB CCOCCS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 67720053 JBLZEVIUDWTQJQ-UHFFFAOYSA-N 314.451 2.815 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)NC3CCOCC3)sc2n1 80401239 HOTVWXBXKYJECM-UHFFFAOYSA-N 319.430 2.779 0 40 DFAB CCCCCn1c(SCC(=O)NC(C)=O)nc2ccccc21 7738726 SOZAZEXRYHJOGN-UHFFFAOYSA-N 319.430 2.981 0 40 DFAB CCn1nc(C)c(CNC(=O)N2CCS[C@H](C(C)C)C2)c1C 96439903 MRJIJVNQKKGDNG-HNNXBMFYSA-N 324.494 2.803 0 40 DFAB Cc1cc(C(=O)CCC(=O)NC[C@@H]2CCCC[C@H]2O)c(C)s1 72293722 ZSRAPHKLCJXEFZ-DZGCQCFKSA-N 323.458 2.995 0 40 DFAB O[C@H](CN[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 69161140 PSGVZNLZNKLBRG-HUUCEWRRSA-N 313.353 2.562 0 40 DFAB COCCn1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)n1 69432985 SERMPQVBPPSFGN-UHFFFAOYSA-N 301.390 2.754 0 40 DFAB O=C(CN1CC[C@H](c2ccccc2)C1)NCCc1ccsc1 69588869 QXMFQQBKORMPTA-KRWDZBQOSA-N 314.454 2.896 0 40 DFAB CC(C)C[C@@H](C)n1nccc1NC(=O)COC[C@H]1CCCO1 71904429 CZIFRTDQKDVAMK-ZIAGYGMSSA-N 309.410 2.624 0 40 DFAB Cc1ccc2cccc(NS(=O)(=O)C[C@@H]3CCCCO3)c2n1 71920795 XOMBKUGEIDEAHZ-AWEZNQCLSA-N 320.414 2.854 0 40 DFAB COC(=O)c1ccc(CNc2nnc(-c3ccncc3)o2)cc1 97379322 BVIXFLSMTJXUKX-UHFFFAOYSA-N 310.313 2.530 0 40 DFAB COC(=O)CCN(C(=O)c1scnc1C)c1ccccc1C 97139709 GJCQYLPMZTWXNQ-UHFFFAOYSA-N 318.398 2.970 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)c1c[nH]c(C)cc1=O)CCS2 95405565 XMOPCMLMOVHPGP-CQSZACIVSA-N 314.410 2.959 0 40 DFAB O=C(O)Cn1cc(/C=C/c2ccc3ccc(Cl)cc3n2)nn1 95442893 FMJBXVIQYYOROK-AATRIKPKSA-N 314.732 2.735 0 40 DFAB C[C@@H](CN1CCN(C)CC1)N[C@H](C)c1ccc(F)cc1Cl 95967788 PKIPIKLJFLARTB-QWHCGFSZSA-N 313.848 2.766 0 40 DFAB COC(=O)c1ccc(O[C@H](C)c2ccc(C(=O)OC)o2)cc1 95984779 ZVQXIVAFXXDIQC-SNVBAGLBSA-N 304.298 2.993 0 40 DFAB CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)c1 75244241 NNYGJNSCEUZXNA-XVJNWHFHSA-N 317.385 2.810 0 40 DFAB COC(=O)[C@@]1(C)CCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 89904261 BBZCDSQSSXZOBY-LRDDRELGSA-N 324.446 2.521 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 24256394 KOXBEDDYQBHYJT-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB c1cnn(-c2ccc(CN[C@@H]3CCCC34CCOCC4)cn2)c1 521394111 ADXYZYODMUQLQR-MRXNPFEDSA-N 312.417 2.706 0 40 DFAB COc1ccc(Cl)cc1NC(=O)COc1cccc(CN)c1 36720777 DMULSACCZSPORU-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB COc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)c1 72227962 PGFWIVGNULGNBR-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Fc1cccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)n1 69654244 FMWLLCNOWSABNH-GFCCVEGCSA-N 301.369 2.880 0 40 DFAB Cc1cc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)on1 79333553 NMJYPWJCPCLCTM-UHFFFAOYSA-N 300.293 2.775 0 40 DFAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC=CCC1 75156983 OJSOIWPIOQQMLP-HNNXBMFYSA-N 316.401 2.604 0 40 DFAB C[C@@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)c1ncon1 225667318 NZEGGVPGFLDWNC-GFCCVEGCSA-N 315.373 2.936 0 40 DFAB Cc1ccc(C(=O)NCC(C)C)c(I)c1 225008065 RVDIHKOSMWIAPH-UHFFFAOYSA-N 317.170 2.985 0 40 DFAB Cn1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2O)cn1 81458648 USXVVIKWWKESOG-UHFFFAOYSA-N 313.279 2.716 0 40 DFAB COc1ccccc1CC(=O)NCCO[C@H]1CCCC[C@H]1C 40108225 GYOSCSSDOJXNPH-ZBFHGGJFSA-N 305.418 2.949 0 40 DFAB CC(C)(C)c1nnc(NS(=O)(=O)c2cccs2)s1 83956293 IVZXBRFTDTYLBN-UHFFFAOYSA-N 303.434 2.698 0 40 DFAB CCCOc1ccc(NC(=O)NCc2nncn2C)cc1Cl 48123929 BBYFBWMKGZVBAM-UHFFFAOYSA-N 323.784 2.579 0 40 DFAB CC(=O)N1CCCN(C(=O)c2oc(C)nc2C)c2ccccc21 96444801 IGGTWDAGEAETFR-UHFFFAOYSA-N 313.357 2.695 0 40 DFAB Cc1cccc(C)c1NCC(=O)N[C@H]1CCC[C@@H]1n1ccnc1 96426553 NOIIMMRCOSKRKM-HOTGVXAUSA-N 312.417 2.822 0 40 DFAB CCO[C@H]1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1 96469216 JOYYNXMGULWTCF-AWEZNQCLSA-N 307.438 2.926 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCc3ccccc31)C2 97198284 UHKFOEVQELWHOS-NVXWUHKLSA-N 309.413 2.743 0 40 DFAB NC[C@@H]1COc2c(Br)cc(Br)cc2C1 95743790 SGWPMFUMHIBQNC-ZCFIWIBFSA-N 321.012 2.721 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CCc1cc(F)ccc1F)C(=O)O 95749183 ZUXLZAVVJBKAAH-LBPRGKRZSA-N 315.316 2.875 0 40 DFAB Cc1ncc(Cl)c(C(=O)OCCOc2ccccc2F)n1 96442298 WJGVZEZZOOVCDU-UHFFFAOYSA-N 310.712 2.813 0 40 DFAB O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1ccccn1 96050790 OQXKELBLMAWPNJ-QGZVFWFLSA-N 313.426 2.772 0 40 DFAB O=C(CC1CC1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238784 LMOVQOJQBNDXFJ-GOSISDBHSA-N 316.376 2.581 0 40 DFAB CC[C@@H]([C@@H](N)c1ccc(Br)cc1)S(=O)(=O)CC 96524929 ZBEIKTBLKSBPIH-RYUDHWBXSA-N 320.252 2.662 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(F)c(F)c(O)c1F 97237013 MAVGNHUFWPOHSR-RXMQYKEDSA-N 314.263 2.905 0 40 DFAB CC(C)c1cc(C(=O)N[C@H](C)CC(=O)c2cccs2)n(C)n1 95450636 ILDCVMSUUBMGMX-LLVKDONJSA-N 319.430 2.996 0 40 DFAB O=C(Nc1cccc(F)c1F)N[C@H]1CCN(c2ccccn2)C1 95435482 WDUWHZAAOJPFIO-NSHDSACASA-N 318.327 2.760 0 40 DFAB CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ncc(Cl)cn1 95428519 DTXUZYFKSLAKQC-UHFFFAOYSA-N 318.808 2.858 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(O)(c2ccccn2)CC1 248012219 WBMHYHBRHHDYRR-JYJNAYRXSA-N 314.429 2.718 0 40 DFAB CCO[C@@H]1CCOC2(C1)CN(C(=O)c1cc3ccccc3o1)C2 248379313 MLUVVNRSCMFTDH-CQSZACIVSA-N 315.369 2.843 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC(N2CCc3ccccc3C2)C1 253473751 YCDBDOGWNBWWBS-UHFFFAOYSA-N 324.399 2.637 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cc3cccs3)C2)n1 257260093 LBHBAHCQJPMIFV-ZDUSSCGKSA-N 301.415 2.714 0 40 DFAB CC(C)C(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257306654 SVGAYZOEIFNIDN-KRWDZBQOSA-N 316.445 2.929 0 40 DFAB CC(=O)N1CC[C@@H](c2cc(-c3ccnn3C(C)C)nc(C)n2)C1 257288475 PUIJMXHHSRUQCM-CQSZACIVSA-N 313.405 2.565 0 40 DFAB O=C(c1ccccn1)N1CC2(CO[C@@H](Cc3ccccc3)C2)C1 257267176 MGFPQFCQSFARMI-INIZCTEOSA-N 308.381 2.555 0 40 DFAB Cc1nc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)co1 585279997 VIYDHTKXHYNAKE-PBHICJAKSA-N 304.365 2.548 0 40 DFAB CCOCc1ccccc1CNC(=O)c1snnc1CC 30177693 YTMYOAYCJHYHGI-UHFFFAOYSA-N 305.403 2.567 0 40 DFAB Cc1cc(Br)ccc1C(=O)N1CCC(CO)CC1 37896996 WBWDYJBKDFMOIP-UHFFFAOYSA-N 312.207 2.602 0 40 DFAB CC(=O)N[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCC1 53458995 MZQCLFQGRNWUTO-MUGCCGGLSA-N 318.461 2.766 0 40 DFAB Cc1ncsc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 40530058 JKCDUWZANDYOIE-ZDUSSCGKSA-N 306.362 2.804 0 40 DFAB CC1(C2CCN(C(=O)c3ccccc3Cl)CC2)OCCO1 96461813 BSRZZQFUXCXWOZ-UHFFFAOYSA-N 309.793 2.955 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H]2C(=O)Nc3ccccc3C[C@H]2C1 1908512024 WFQWQJHGRKYNIJ-QWHCGFSZSA-N 302.374 2.664 0 40 DFAB CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 5171885 QFRKLOYITAUQRC-OAHLLOKOSA-N 316.788 2.947 0 40 DFAB CC[C@@H](NC(=O)c1cnc(N(C)C)nc1)c1ccc(F)cc1 12199697 IPMREVANQUJNIK-CQSZACIVSA-N 302.353 2.563 0 40 DFAB NC(=O)c1cccc(NC(=O)CSc2cc(F)ccc2F)c1 14128900 OGJMERMPPKLCQL-UHFFFAOYSA-N 322.336 2.795 0 40 DFAB c1ccc(-c2noc([C@@H]3CN(Cc4ccncc4)CCO3)n2)cc1 19374376 CODGSTHCAIVNQM-INIZCTEOSA-N 322.368 2.705 0 40 DFAB Cn1cc([C@@](C)(O)CNC2CC(c3ccc(Cl)cc3)C2)cn1 154222967 XXQBDDOEWTXBKT-IMRCBTMISA-N 319.836 2.817 0 40 DFAB CS(=O)(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226353048 PAYVTLLMVHWYQA-UHFFFAOYSA-N 315.734 2.670 0 40 DFAB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5384298 XBWVTIVHDUMHGI-CQSZACIVSA-N 304.346 2.546 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@]1(O)CCCc2occc21 1888857182 DCNFBBRXKFTXMU-QGZVFWFLSA-N 319.788 2.816 0 40 DFAB C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CC1 21523609 VAWPJJGHAQWNAI-HNNXBMFYSA-N 322.408 2.653 0 40 DFAB Cc1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1F 238877114 OIFYDZNZNBVAII-AWEZNQCLSA-N 300.333 2.823 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(C(C)C)nc2O)C1 2037684441 LWEXVFMIAORKIH-GFCCVEGCSA-N 314.389 2.572 0 40 DFAB CN1CCCC[C@]2(CN(Cc3cccc(Cl)c3)CCO2)C1=O 2037983989 MYRGATNGXXUTSQ-KRWDZBQOSA-N 322.836 2.553 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC 183681 TUAAYNOHFXUMCJ-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB biogenic CC(C)(C)C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1 40542491 WLIYVRVOEHRZKH-AWEZNQCLSA-N 317.364 2.816 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 51357115 SWKVLIPBHKXJLD-UHFFFAOYSA-N 323.348 2.635 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1nncs1 21215555 YLWFXFVTFZQZHP-UHFFFAOYSA-N 301.371 2.628 0 40 DFAB COc1ccnc(N[C@@H](c2ccccc2F)c2nccn2C)n1 53599787 WKXGKACVEIHWRR-AWEZNQCLSA-N 313.336 2.559 0 40 DFAB CN([C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 104135384 TVLVZAXEEKADAF-SQNCARSOSA-N 321.442 2.732 0 40 DFAB C[C@H](c1ccccn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 97032954 WIFORMVJFKEDBM-OAHLLOKOSA-N 321.428 2.837 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)NCc2ncc(C(C)(C)C)o2)C1(C)C 78973951 HASXFJXDOQHUGS-RYUDHWBXSA-N 323.437 2.975 0 40 DFAB CCOC(=O)N1Cc2cc3ccccc3nc2[C@@H]1CC(=O)O 1729773 DCCSZVXEOMMZCI-ZDUSSCGKSA-N 300.314 2.723 0 40 DFAB CCCCOn1c(C)c(C(=O)OCC)c2c3nonc3ccc21 4110542 KVAQWFKBVRFFBV-UHFFFAOYSA-N 317.345 2.891 0 40 DFAB Cc1nnc(NC(=O)COCc2nc3ccccc3s2)s1 23625713 UIHPPLSRCFRLIS-UHFFFAOYSA-N 320.399 2.612 0 40 DFAB Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1 12527081 HULUXJUTDYYLPS-UHFFFAOYSA-N 319.405 2.976 0 40 DFAB O=C(Nc1cccc2cccnc12)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4951894 KDDJXDDCBGIAAL-DHMWGJHJSA-N 308.337 2.696 0 40 DFAB Cc1nn(C)c2ncc(C(=O)OCc3nc4ccccc4o3)cc12 24198516 SMUBLGYGRHOWHH-UHFFFAOYSA-N 322.324 2.775 0 40 DFAB O=C(N[C@@H]1C=Nc2ccccc2NC1=O)c1ccc(Cl)cc1 6576153 MYHMXKFVFXEFLL-CQSZACIVSA-N 313.744 2.793 0 40 DFAB CCOc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 34516530 OPQCGNDAHQOQPC-UHFFFAOYSA-N 309.268 2.712 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ncn(-c3ccccc3)n2)c1 8715343 NFDGDGAJKAWSNE-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB O=C(N[C@H]1CCc2c(F)cccc21)c1ccnc(-n2ccnc2)c1 55682902 BLUNAGLOYDPKMH-INIZCTEOSA-N 322.343 2.824 0 40 DFAB COCCN(CC(=O)Nc1cc(F)ccc1F)C1CCCC1 26447340 QXKRRZZISQZFFI-UHFFFAOYSA-N 312.360 2.794 0 40 DFAB COc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)cc1OC 26527200 WEXDFVNEROMJHB-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 9884231 CWFLVWAQFDYLCU-UHFFFAOYSA-N 303.339 2.990 0 40 DFAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)N2CCNC2=O)c1C 27071587 RNBYIRWVRKIPFJ-CYBMUJFWSA-N 306.431 2.953 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2cccc(C)c2)cc1OC 58263942 HEIBIZQZMMNYCM-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cc(Cl)ccc1C(N)=O 58293084 ZXODCQFBZXEDMT-GHMZBOCLSA-N 324.808 2.607 0 40 DFAB O=C(NCc1ccc(OC2CCCC2)nc1)N1CCSCC1 44968763 KTSUNQFGAJKFIK-UHFFFAOYSA-N 321.446 2.661 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1N 20343552 GIWXDMJCDFVTDD-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB O=C(CNc1cc(CO)ccc1Cl)NCc1cccs1 58355887 ROOHBCISAHNUTJ-UHFFFAOYSA-N 310.806 2.622 0 40 DFAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cn1 28836246 JWPYRVGNOQYUJK-VIFPVBQESA-N 319.748 2.903 0 40 DFAB O=C(CCC1CCCC1)N1CCN(Cc2cscn2)CC1 45769450 WXJHAAPRLMCZOU-UHFFFAOYSA-N 307.463 2.758 0 40 DFAB Cc1ccc2[nH]c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2c1 29551811 WAQMHWRFGTXDNA-UHFFFAOYSA-N 309.369 2.711 0 40 DFAB CCCN1C(=S)N[C@@H](c2ccccc2)C(C(=O)N(C)C)=C1C 21267893 KQHLLLZTMNXOEI-HNNXBMFYSA-N 317.458 2.690 0 40 DFAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 49174264 ZNMJVRAJXPOUET-CYBMUJFWSA-N 320.820 2.718 0 40 DFAB Cc1csc2nc(-c3ccnc(OCC(F)F)c3)[nH]c(=O)c12 96009361 VXNDITZWWQEFAF-UHFFFAOYSA-N 323.324 2.999 0 40 DFAB CCOc1cccc(CNc2cc(C)c(F)cc2C(N)=O)n1 96009484 KWSWQFOLXUWCDV-UHFFFAOYSA-N 303.337 2.639 0 40 DFAB COC(=O)c1ccc2c(O)nc(-c3nc(C)cs3)nc2c1 97115158 ZACJVGUCYNKUDB-UHFFFAOYSA-N 301.327 2.554 0 40 DFAB COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccccc2)c1 72333783 AUNHAYDSENTNRB-CYBMUJFWSA-N 313.353 2.729 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc2ccccn12 5212966 NZPQYPXBYZENOV-LBPRGKRZSA-N 324.409 2.799 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1OC 19736197 UTMQMISSFJNMBA-NSHDSACASA-N 316.357 2.692 0 40 DFAB COc1ccc(-c2nonc2NC(=O)CC(C)C)cc1OC 5353815 BCTMTPHINBZYEY-UHFFFAOYSA-N 305.334 2.738 0 40 DFAB CC1(C)CC(=O)c2c(O)cc(=O)n(-c3ccc(F)cc3)c2C1 6493230 ZCMGYRPXKLBHAV-UHFFFAOYSA-N 301.317 2.837 0 40 DFAB Cc1noc(C)c1CC(=O)OCc1ccc(-n2cccn2)cc1 24422698 WIUGWMOGKMYDLN-UHFFFAOYSA-N 311.341 2.763 0 40 DFAB CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C 4667287 YLNSAEFQOBRNBS-UHFFFAOYSA-N 311.428 2.934 0 40 DFAB Nc1ncncc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 84350541 BEZSPIQATGHMSS-UHFFFAOYSA-N 312.160 2.687 0 40 DFAB Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)c(=O)[nH]1 96432999 UGPXLCHESUBJCE-INIZCTEOSA-N 316.376 2.820 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CN1CCCCCC1)OCO3 67490995 NDELICULMVEIFQ-UHFFFAOYSA-N 300.358 2.633 0 40 DFAB CCC[C@H](NCCCN1C(=O)COc2ccccc21)C1CC1 90105016 PKPCUXSLRWJBFM-HNNXBMFYSA-N 302.418 2.970 0 40 DFAB COc1ccnc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c1 96407251 GJNQGRWRCCANLK-SUMWQHHRSA-N 312.369 2.692 0 40 DFAB Cc1nnc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)s1 15517231 BSKAHJUWQAINJX-VIFPVBQESA-N 309.778 2.690 0 40 DFAB O=C(O[C@H]1CCCCC1=O)[C@@H]1COc2ccc(Cl)cc2C1 7542110 RKOHKHGMVSRPGI-NHYWBVRUSA-N 308.761 2.946 0 40 DFAB Cc1cccc(CNC(=O)CNc2cc(CO)ccc2Cl)c1 71896901 RWPKDLGGLVXXNO-UHFFFAOYSA-N 318.804 2.869 0 40 DFAB Cc1cccc2nc(CN3CCC[C@@H]3c3cccn3C)cc(=O)n12 7853361 MDBIUVIZCDKDAU-QGZVFWFLSA-N 322.412 2.679 0 40 DFAB CO[C@H](C(=O)N1CCC[C@H]1Cn1cc(C)cn1)c1ccccc1 71869846 WSTYWQVTMGNRBZ-IRXDYDNUSA-N 313.401 2.570 0 40 DFAB COc1ccccc1CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8131196 OQCRZDFAYAKBEJ-SJCJKPOMSA-N 302.374 2.696 0 40 DFAB COc1ccccc1/C=C/CN[C@@H]1CCN(C(C)=O)C[C@H]1C 84714708 UFJWGOHPDTYJLW-HTFDGFGYSA-N 302.418 2.555 0 40 DFAB C[C@@](O)(CNc1ncc(Br)cn1)c1ccccc1 71907734 BYEZMUWGLZELAD-CYBMUJFWSA-N 308.179 2.559 0 40 DFAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCC1CCCCC1 69666474 REJSKTPIAOJSRR-JTQLQIEISA-N 319.434 2.530 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](NCC1=Cc3ccccc3OC1)CC2 69898497 CRVNZFVGWRYBBW-MRXNPFEDSA-N 324.428 2.782 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 8767480 VLZGVFMWEYNEGZ-VIFPVBQESA-N 318.402 2.810 0 40 DFAB Cc1cc(C)n2cc(CN3CCC[C@@H](c4cc(C)[nH]n4)C3)nc2n1 84111345 BJARCHPLGSBROU-OAHLLOKOSA-N 324.432 2.757 0 40 DFAB O=S(=O)(CCCc1ccccc1)Cc1nnc(C2CCC2)o1 95412802 LNJRHMJEFONGEX-UHFFFAOYSA-N 320.414 2.885 0 40 DFAB Cn1c(NCc2ccc(-n3cncn3)cc2)nc2c(F)cccc21 95990317 WBHZIUSYXIJCLI-UHFFFAOYSA-N 322.347 2.905 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1ccnc(Oc2ccccc2)c1 89938739 KRIYBTSCXXAPLD-AWEZNQCLSA-N 311.385 2.650 0 40 DFAB O=C(c1ccc(Cn2cccn2)o1)N1CCc2ccccc2C1 27981414 JSFZIXVIJDIPOL-UHFFFAOYSA-N 307.353 2.723 0 40 DFAB C[C@H](CN1CCS(=O)(=O)[C@H](C)C1)c1cccc(Cl)c1 187316792 FYGLIVNQFQHICT-VXGBXAGGSA-N 301.839 2.562 0 40 DFAB CN(Cc1cccs1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 77733682 LRPFIXGCCIQDDX-LBPRGKRZSA-N 324.446 2.964 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1 1507964 ROPQWDJNIRYVHU-GOSISDBHSA-N 308.381 2.562 0 40 DFAB biogenic CN1CCC[C@@H]1c1nc(C(=O)NC2CCCC2)c2ccccn12 306129976 ITAGXQJGXBIPQU-OAHLLOKOSA-N 312.417 2.773 0 40 DFAB CN(C)C1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 129908430 IPHWBHREAUEDSE-CHWSQXEVSA-N 308.388 2.808 0 40 DFAB COc1cccc(C(N)=O)c1OCCOc1cc(C)cc(C)c1 32803943 XUDDCCUMIVIPAT-UHFFFAOYSA-N 315.369 2.869 0 40 DFAB CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(OC(F)(F)F)cc1 71241888 NSQCPDZVTYYOAN-NSHDSACASA-N 305.296 2.797 0 40 DFAB COC(=O)c1nc(Br)ccc1OC1CCCC1 218314194 CVLRGEBUPAVBTE-UHFFFAOYSA-N 300.152 2.952 0 40 DFAB COc1ccc(OCC(=O)NCCSCc2ccco2)cc1 138685635 WGVVVANBPZXADU-UHFFFAOYSA-N 321.398 2.717 0 40 DFAB CC1(C)CC(CNC(=O)c2cccc(C(=O)NC3CC3)c2)C1 527120212 ZGRHFPJTMAHDRT-UHFFFAOYSA-N 300.402 2.745 0 40 DFAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccnc2)cc1 47671091 MJLZYBQRLCKGIA-MRXNPFEDSA-N 318.398 2.616 0 40 DFAB Cc1cc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)ccc1F 238838571 HHTKAFYQNKEKIN-DJIMGWMZSA-N 321.392 2.519 0 40 DFAB COc1cccc(C(=O)c2cccc(CN3CCOCC3)c2)c1 43210980 YLKTYFZXVNKRDU-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB O=C1C[C@H]([C@H]2CCCCN2Cc2cc(F)ccc2Cl)CN1 225463388 CXYPTMPAQFSUCK-XHDPSFHLSA-N 310.800 2.970 0 40 DFAB CCC[n+]1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 226773785 UEFBILWQAYQXBP-UHFFFAOYSA-N 314.316 2.569 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225417817 ALTIRLUWHDMCMQ-KBPBESRZSA-N 320.433 2.737 0 40 DFAB O=C(CCCc1cccs1)Nc1ccccc1-n1cnnn1 47327255 CKFAEWLJTDBVSD-UHFFFAOYSA-N 313.386 2.685 0 40 DFAB CN(CCc1cccs1)C(=O)Nc1ccc(C(N)=O)c(F)c1 96434613 NQTQHDISDZXWRV-UHFFFAOYSA-N 321.377 2.693 0 40 DFAB CSc1ccc(CN2CCO[C@@H](c3noc(C)n3)C2)cc1 95958065 DDQPBSLJSJQLSW-CQSZACIVSA-N 305.403 2.673 0 40 DFAB CCC(CC)(CNC(=O)CC1CCCCC1)S(C)(=O)=O 96432860 SITYYGUQXRVHEP-UHFFFAOYSA-N 303.468 2.676 0 40 DFAB COC(=O)C1(NC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 96502402 XCHNWVQQTSSNOD-UHFFFAOYSA-N 320.242 2.672 0 40 DFAB O=C(CCn1ncc2ccc(Cl)cc21)NCc1cccnc1 96181982 LSRXPGLLQRFXNB-UHFFFAOYSA-N 314.776 2.791 0 40 DFAB Cc1cc(C(=O)Nc2n[nH]c3ccccc23)c2c(C)noc2n1 95479398 VSBIGVYUOPRGPF-UHFFFAOYSA-N 307.313 2.968 0 40 DFAB COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 96110633 GNDWXZFSVSAJRR-RTBURBONSA-N 323.440 2.654 0 40 DFAB CSc1ccccc1Cn1cnc2c(cnn2C(C)C)c1=O 96500580 CNTXZOWAPRZRAJ-UHFFFAOYSA-N 314.414 2.944 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)c1 96229690 VHUKXNGIACMTAN-GOSISDBHSA-N 300.402 2.612 0 40 DFAB O=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@]2(CCOC2)C1 96461979 FDWDUJICKSMJQF-KRWDZBQOSA-N 318.392 2.679 0 40 DFAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2cccs2)Oc2ccccc21 96111923 VULQWMQAWIELDR-WFASDCNBSA-N 314.410 2.746 0 40 DFAB biogenic,in-vitro CC(C)(NC(=O)CCC1CCOCC1)C(=O)Nc1ccccc1 96430956 LUDBZFQTPSMPFL-UHFFFAOYSA-N 318.417 2.727 0 40 DFAB CC1CCN(c2ccc3c(c2)S(=O)(=O)N=C(Cl)N3)CC1 95096745 JNPPNYZMGWYNIQ-UHFFFAOYSA-N 313.810 2.632 0 40 DFAB C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N(C)C 95443726 AYDTUXGHNHAZSX-LURJTMIESA-N 321.602 2.697 0 40 DFAB Cc1ccc(Cn2nnc(C(=O)NC3CCCC3)c2Cl)cc1 96183522 PEKUETJNAFXQGY-UHFFFAOYSA-N 318.808 2.961 0 40 DFAB Cc1ccccc1O[C@H](C)CNC(=O)NCCc1nccs1 96439632 HJHXIKGPCPQFHZ-CYBMUJFWSA-N 319.430 2.761 0 40 DFAB CC(C)(C)C(=O)NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 96269331 JEDYUEULZSGILB-AWEZNQCLSA-N 313.401 2.611 0 40 DFAB biogenic,in-vitro CN(C(=O)c1cccs1)[C@@H]1CCCN(c2ccccn2)C1 257299474 RQFDKGOJMNFPSF-CYBMUJFWSA-N 301.415 2.884 0 40 DFAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2N)cc1 252515671 MMHQUHAESAWLPK-ZACQAIPSSA-N 301.411 2.570 0 40 DFAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cscn2)ccn1 257287676 PRAVTBKBBWLHGL-INIZCTEOSA-N 316.430 2.511 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257273763 NICDTRBLPXDHRY-OAHLLOKOSA-N 324.380 2.858 0 40 DFAB Cc1cc(N2CCC(NC(=O)C3CCC3)CC2)nc(C2CC2)n1 369378643 UFUCAMTUOWFQKV-UHFFFAOYSA-N 314.433 2.548 0 40 DFAB COc1cccc2cc(C(=O)N3CCC[C@@]4(CCN4C)C3)oc12 585101858 JHZTWPGWVWLXCQ-GOSISDBHSA-N 314.385 2.752 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccncc2)C1 1084568188 YPUMKCBKBCOFMP-GOSISDBHSA-N 321.380 2.706 0 40 DFAB Cc1nn(CC(=O)N2CCC[C@H]2c2ccccn2)c(C)c1Cl 55523823 ROWKIEUWMUUEKW-AWEZNQCLSA-N 318.808 2.912 0 40 DFAB O=C(NC1CC1)C1CCN(c2cccc(C(F)(F)F)n2)CC1 58291872 VBJOXIAOQIVFJH-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB Cc1cccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1Cl 89688787 IBTKOOXOPSZDDJ-WCQYABFASA-N 321.808 2.923 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)c1nnc(C2CC2)s1 676304659 WHURKEIWXFGLGJ-UHFFFAOYSA-N 303.387 2.823 0 40 DFAB CO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1ccccc1F 1615084283 KDSLYGWVQYNKNE-QAPCUYQASA-N 307.409 2.884 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(N)cc32)cc1 11847720 WHYCAGLHXBIGII-UHFFFAOYSA-N 302.399 2.719 0 40 DFAB Cc1nn2c(NCCO)c3c(nc2c1-c1cccs1)CCC3 12113401 PZCPSRYZCBJKHK-UHFFFAOYSA-N 314.414 2.659 0 40 DFAB C[C@]1(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CCCO1 12193446 AOSDLFLTNFKBMF-OAHLLOKOSA-N 321.377 2.776 0 40 DFAB O=C1c2ccccc2C(=O)N1CCc1ncc(-c2ccccc2)[nH]1 13219841 BFMKWJKFMNFMGN-UHFFFAOYSA-N 317.348 2.915 0 40 DFAB O=C(NCCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169297819 OLXZZHLNFZGPRY-MYZSUADSSA-N 319.788 2.522 0 40 DFAB CC(C)c1nc2n(n1)CCC[C@H]2NC1CCC2(CC1)OCCO2 156318021 PPINTMFXXBAGSW-CQSZACIVSA-N 320.437 2.512 0 40 DFAB CCN(CC)C[C@H](O)CO[C@@H](Cc1ccccc1)C(F)(F)F 3120299 GOKMUNUHXSHUQV-GJZGRUSLSA-N 319.367 2.879 0 40 DFAB COc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(OC)cc1C 10233838 BUCXJSPNJVXKOW-LBPRGKRZSA-N 313.419 2.575 0 40 DFAB COc1nc(C)ccc1C(=O)N1CCOc2ccc(C)cc2C1 575011818 PDBRQDCQJQYILI-UHFFFAOYSA-N 312.369 2.742 0 40 DFAB Cc1ncsc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 1848353273 IPMNLYDXYBAEDQ-RSUWNVLCSA-N 305.447 2.587 0 40 DFAB CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1 10269638 PUPBDIHWHRGQCC-UHFFFAOYSA-N 319.455 2.827 0 40 DFAB Cc1cc(C(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)no1 238959634 YHXXZJGRZGWPBF-ZDUSSCGKSA-N 324.340 2.663 0 40 DFAB CN1CC[C@@H](CN(C)C[C@@H]2CCCN(Cc3ccccc3)C2)C1 12188685 ZJCBWPZEZZIFBU-VQTJNVASSA-N 315.505 2.782 0 40 DFAB Cc1cnc(Nc2ncc(F)c(CC3CCNCC3)n2)s1 2037838330 DOXODTBXAHQWOX-UHFFFAOYSA-N 307.398 2.666 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1142541251 ALYXYODILTVUPK-RYQLBKOJSA-N 307.434 2.777 0 40 DFAB Cc1ccc(C(=O)Nc2c(C)nc3ccccn3c2=O)cc1C 8831383 UFBQROYIGWVZNN-UHFFFAOYSA-N 307.353 2.872 0 40 DFAB O=C(/C=C\c1ccccc1)NC[C@H]1CN(c2ccccc2)C(=O)O1 9067928 HPAQNBZIGJAPTJ-CPFIRTDXSA-N 322.364 2.841 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 1775971089 NUFBSRSGKJKGLR-OAHLLOKOSA-N 305.422 2.846 0 40 DFAB CCOC(=O)c1c(O)c2ccc(C)nc2n(-c2ccccc2)c1=O 100227112 DVQROHGHOVPKDA-UHFFFAOYSA-N 324.336 2.576 0 40 DFAB Cc1cc(C)n(CCCNC(=O)NCc2ccc(F)cc2)n1 30988056 ORPGQVIRPYYZPW-UHFFFAOYSA-N 304.369 2.529 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1csc(-c2ccco2)n1 40493863 RZTOPGBFVUZLGL-UHFFFAOYSA-N 313.338 2.754 0 40 DFAB CN(CCOc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 40475356 XBVNIQBSSXSTSP-UHFFFAOYSA-N 324.380 2.722 0 40 DFAB CC(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 40512543 DDYIDZNAHSRILO-GJZGRUSLSA-N 304.434 2.568 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncn[nH]1 32648637 FVJWLFLKTUBHCR-ZCFIWIBFSA-N 301.133 2.518 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O 42122715 SGNNSBSTXQAMNF-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)c1cccc(Cl)c1 77179893 JIPVDSKZHOHXPS-QGZVFWFLSA-N 301.773 2.904 0 40 DFAB Cc1csc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)n1 1271942 CTBWVPPFKVSGHQ-LLVKDONJSA-N 311.407 2.647 0 40 DFAB O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc[nH]c(=O)c1 79107589 CDVQHRJPGUIYNG-UHFFFAOYSA-N 311.168 2.654 0 40 DFAB COc1ccccc1N1CCC[C@@H](NC2CCSCC2)C1=O 95398594 YVQUBFSWKVYTBE-CQSZACIVSA-N 320.458 2.676 0 40 DFAB CCc1c(C)sc2ncn3nc(-c4cc(C)nn4C)nc3c12 2809021 AWJALDSRVFYBGD-UHFFFAOYSA-N 312.402 2.919 0 40 DFAB CCc1nc(SCC(=O)Nc2cccc(C)c2)[nH]c(=O)c1C 4861214 ITZFECKUZLRMRJ-UHFFFAOYSA-N 317.414 2.680 0 40 DFAB Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccccc1 6788664 RZTOSIFFEJLLEE-UHFFFAOYSA-N 316.430 2.727 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 7405575 PWZQZNHHEQDFGU-UHFFFAOYSA-N 304.730 2.885 0 40 DFAB O=C(OC/C=C/c1ccccc1)c1cccc(-n2cnnn2)c1 7989479 XPPHBWUIJMGBDK-VMPITWQZSA-N 306.325 2.533 0 40 DFAB CNc1cc(N2CCC[C@@H]2CNCc2ccc(Cl)o2)ncn1 75132711 YCCZSRNZTUOYGR-LLVKDONJSA-N 321.812 2.523 0 40 DFAB O=C(C[C@@H]1CCOc2ccccc21)N[C@@H]1CCCC[C@H]1CO 107365361 CAAUORITDLKUOR-OFQRWUPVSA-N 303.402 2.610 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCCCCCC1)C2=O 56552745 CNXCDSWCAZVJSI-PBHICJAKSA-N 307.438 2.711 0 40 DFAB C[C@@H](NC(=O)NCc1cccnc1N(C)C)c1cccs1 47973469 RINGLXLFDXXBGX-LLVKDONJSA-N 304.419 2.770 0 40 DFAB Cc1ccc(CN2CCC(C(=O)NCc3ccncc3)CC2)cc1 9063122 ZWTLQMJBEZWGRI-UHFFFAOYSA-N 323.440 2.918 0 40 DFAB CCCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 2095089 QBMTVYKQGOENGU-HNNXBMFYSA-N 318.373 2.619 0 40 DFAB COc1ccc(-c2cc(=O)n(-c3ccc(F)cc3)[nH]2)cc1OC 9937414 NNLWQXWCIYUEAE-UHFFFAOYSA-N 314.316 2.989 0 40 DFAB CC(C)[C@H](C)N(C(=O)c1ccc(CNC(N)=O)cc1)C1CC1 58262773 JSTWPYBUDHLHIH-LBPRGKRZSA-N 303.406 2.504 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)[C@H]1CCCO1 44910385 UCQXITLTEFVSOY-GXTWGEPZSA-N 320.389 2.514 0 40 DFAB Cc1nc(N2CCC(C(=O)O)CC2)c2c3c(sc2n1)CCC3 3391597 ASXORLHAYORDJM-UHFFFAOYSA-N 317.414 2.789 0 40 DFAB CCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@@H]2CC)n1 84759033 LVQCWTZTUAXKPX-MELADBBJSA-N 322.453 2.710 0 40 DFAB CC1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)CC1 36392356 DHUVIXCJSGYXPU-QOZQQMKHSA-N 321.396 2.620 0 40 DFAB Cc1nc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cs1 45325607 FIDHDMFAGRSCRG-SMDDNHRTSA-N 311.451 2.846 0 40 DFAB Cc1nnc(N2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)s1 107712050 DVUMRGFHTYAKIO-HOCLYGCPSA-N 323.462 2.649 0 40 DFAB CCOc1ccc(S(=O)(=O)n2ccc(C)n2)c2ccccc12 2485513 SGPLXKCZFYHZJO-UHFFFAOYSA-N 316.382 2.980 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)NC[C@@H]1CC=CCC1 60127491 VZROHOJMNYAWNU-CYBMUJFWSA-N 302.374 2.613 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](C)C3)CC(=O)N2C)cc1 108418399 YTJPHJQZSFEKPW-UWWQBHOKSA-N 314.429 2.773 0 40 DFAB CCn1ccnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 11889871 PODZOXPYMMMJCL-SNVBAGLBSA-N 319.386 2.751 0 40 DFAB CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 55628319 YVUCJVFLLLOXRW-UHFFFAOYSA-N 318.398 2.546 0 40 DFAB Cc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1C 3542644 HNOWDPZJNIENMY-UHFFFAOYSA-N 314.366 2.730 0 40 DFAB Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@H]3c1ccccc1 12274884 KKPPCOVECFCNOC-JTQLQIEISA-N 311.366 2.767 0 40 DFAB COc1ccc(CCNC(=O)c2cc(OC)cc(OC)c2)cc1 3608346 DNSWIVLXDBTFKO-UHFFFAOYSA-N 315.369 2.685 0 40 DFAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc[nH]n2)CC1 49651632 VIOGVXFKZBMFBL-GFCCVEGCSA-N 318.808 2.582 0 40 DFAB COCCCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 49602773 ZILQRJQEKRMZCV-KRWDZBQOSA-N 307.390 2.698 0 40 DFAB Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6049159 NXTYIFQVDGRBLO-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB CCSc1nc2nc(-c3ccc(OC)cc3)cc(O)n2n1 9170014 IBKDUYWBLIZITN-UHFFFAOYSA-N 302.359 2.618 0 40 DFAB CCc1nnsc1C(=O)N1C[C@H](C)Oc2cc(C)ccc21 95407103 FTNYJXCXVIHRID-JTQLQIEISA-N 303.387 2.837 0 40 DFAB COc1ccc(CNC(=O)c2cc3c(C)nn(C)c3s2)cc1 14142278 WIOMKISPUYBXME-UHFFFAOYSA-N 315.398 2.882 0 40 DFAB CCn1c(CC(=O)Nc2cccc(SC)c2)n[nH]c1=S 4736545 RMERIRHYUYSCBD-UHFFFAOYSA-N 308.432 2.864 0 40 DFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccco1 9389945 OJRVPISDUOWFLU-UHFFFAOYSA-N 307.733 2.677 0 40 DFAB O=C(/C=C/c1ccccc1F)NC[C@@H]1COc2ccccc2O1 6946434 BIBQIVIJRRYUPI-ATWMFIQVSA-N 313.328 2.795 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 9305007 KODZLQXATLAYIJ-OAHLLOKOSA-N 302.349 2.986 0 40 DFAB COc1cc(COc2ccccc2C(N)=O)ccc1OC(F)F 7313228 XFABIZIHCOATSP-UHFFFAOYSA-N 323.295 2.975 0 40 DFAB CCCn1nnnc1CSc1ncnc2sc(C)c(C)c12 7480524 NHZYCFZRDKEZLW-UHFFFAOYSA-N 320.447 2.997 0 40 DFAB Cc1n[nH]c2ncc(NC(=O)CCSc3ccccn3)cc12 90417310 ZFGHPKDSEATUDC-UHFFFAOYSA-N 313.386 2.782 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CCn2cc(C)cn2)c(Cl)c1 67945095 GJJJWENHZRAZPC-UHFFFAOYSA-N 320.780 2.832 0 40 DFAB CN(Cc1cc(=O)n2ccsc2n1)Cc1ccccc1F 7910712 CZPNRCIRYFMWFZ-UHFFFAOYSA-N 303.362 2.527 0 40 DFAB CC[C@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 68881519 WJXPXNONGHOBAK-NSHDSACASA-N 303.410 2.501 0 40 DFAB Cn1cccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 9469766 UJJOUQLWTRLBON-UHFFFAOYSA-N 303.793 2.641 0 40 DFAB Cc1nnc2n1N=C(c1ccc(OC(F)F)cc1)[C@H](C)S2 8037869 JIPKHGRUKWPLCO-ZETCQYMHSA-N 310.329 2.935 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)c1 70013796 PCANBFCZDNHWRX-WMZOPIPTSA-N 309.413 2.913 0 40 DFAB CC(=O)Nc1cc(NC(=O)CC(C)(C)CC(=O)O)ccc1F 42734499 HIIPCIQNARIHDA-UHFFFAOYSA-N 310.325 2.614 0 40 DFAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C)c1ccncc1)C2 69391042 XSLXSWZZJIWZTH-SWLSCSKDSA-N 312.369 2.519 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2ccccc2-n2cncn2)c1 69489284 JKMRWZNAJOHULU-LSDHHAIUSA-N 310.405 2.512 0 40 DFAB COC(=O)C1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 17116248 TYRJMVBZQZQCMO-CQSZACIVSA-N 318.417 2.602 0 40 DFAB O=C(CN1CC[C@@H](c2ccccc2)C1)NCCOc1ccccc1 69600018 DSWAPOKJBDMOKK-GOSISDBHSA-N 324.424 2.671 0 40 DFAB CS(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 69898979 OMZOMTDWUJETRA-QGZVFWFLSA-N 317.410 2.650 0 40 DFAB CCOc1cccc(C(=O)NCC[S@@](=O)c2ccccc2)c1 71893210 HAOIPVQOFUDHSK-QFIPXVFZSA-N 317.410 2.623 0 40 DFAB c1ccc(C[C@H](Nc2ccc3nnnn3n2)c2ccccc2)cc1 8768354 TXKZUVIVFVSCAY-INIZCTEOSA-N 316.368 2.915 0 40 DFAB O=C1NCCN1[C@@H]1CCCN(Cc2cccc3ccccc23)C1 71830543 RCPVRMRTKLXSJJ-QGZVFWFLSA-N 309.413 2.829 0 40 DFAB CCCSCC(=O)NCCc1nc2c(F)cccc2n1C 71893188 QKWYIVFSCCRIGK-UHFFFAOYSA-N 309.410 2.514 0 40 DFAB CN(C)C1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 71828419 LOZSMNXBHIVMSK-UHFFFAOYSA-N 311.429 2.572 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1 83858957 SMJFPNDQHRLZJQ-CYBMUJFWSA-N 302.201 2.765 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccccn2)C1 71915699 MYNHXDBQAPUQQO-IAGOWNOFSA-N 323.440 2.884 0 40 DFAB CCCC[C@@H](Sc1nnc2cc(C)nc(C)n12)C(=O)OC 71922139 NBYCYLACQJWGCT-LLVKDONJSA-N 308.407 2.565 0 40 DFAB COc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1OC 96637822 VTQBGMYVBFGINQ-UHFFFAOYSA-N 311.341 2.552 0 40 DFAB C[C@H]1C[C@@H](Nc2ccn(CCc3ccncc3)n2)[C@H](C)CN1C 97037882 BWHCDUUZWNLVQU-HLLBOEOZSA-N 313.449 2.661 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)CCc2cccs2)no1 72299292 CDBZEKLTOOTDSO-GFCCVEGCSA-N 305.403 2.990 0 40 DFAB CC(C)C[C@@H](CN)C(=O)NCc1ccc(C(F)(F)F)cc1 94700158 UHFAWTRZMPUCOM-LBPRGKRZSA-N 302.340 2.943 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC=CCC1)C2 97198375 ZTCQYXQTMWXNMC-KBPBESRZSA-N 301.434 2.968 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CC[C@H]1CCCO1)C2 97198388 JFCNONJWZMYSBF-ZIAGYGMSSA-N 319.449 2.571 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NC[C@]2(C)CCCO2)o1 97161824 DVDQJJJUFUDPRX-PBHICJAKSA-N 322.405 2.842 0 40 DFAB C[C@@H](CC1CCCC1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 74691073 FDKHTLORBLNNHI-LBPRGKRZSA-N 324.446 2.630 0 40 DFAB C[C@H](CC1CCCC1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 74691074 FDKHTLORBLNNHI-GFCCVEGCSA-N 324.446 2.630 0 40 DFAB CCN(CC)C(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235876 SDQSIJKXGUUOMX-UHFFFAOYSA-N 302.374 2.512 0 40 DFAB c1ccc2c(Cc3nc(-c4ccc5c(c4)OCO5)no3)n[nH]c2c1 546271420 RAHQFJHGJLKTNN-UHFFFAOYSA-N 320.308 2.932 0 40 DFAB Cc1ccc(S(=O)(=O)Cc2cn3ccc(C)cc3n2)cc1 32604014 ZYGWIZLDUMESNI-UHFFFAOYSA-N 300.383 2.925 0 40 DFAB CC(C)CNC(=O)CN1CCn2cccc2[C@H]1c1ccccc1 30589021 JJQAEHNSVFXLFQ-LJQANCHMSA-N 311.429 2.665 0 40 DFAB CC(=O)c1ccc2c(c1NC(=O)Cc1ccccc1)OCCO2 30822809 QLNRDBBAWNZSHA-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB OCCN1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 72379397 ODOHLOXUSBKKNZ-OAHLLOKOSA-N 303.793 2.926 0 40 DFAB CC(C)(CNC(=O)NCCOCC(F)(F)F)c1cccs1 79349310 PETWEOQVQVYZAZ-UHFFFAOYSA-N 324.368 2.904 0 40 DFAB COc1ccc(OC)c2c1cc(C(=O)Nc1ccccn1)n2C 72402300 VXLAKHKPOMUYAS-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB O=C(Cc1cccc(F)c1)NC[C@H](O)c1ccc(Cl)s1 75273737 FRSPHGXRSCCKBN-NSHDSACASA-N 313.781 2.933 0 40 DFAB O=C(c1ccccc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1 49171070 DAMDRELSQYNZNK-HNNXBMFYSA-N 320.352 2.761 0 40 DFAB biogenic,in-vitro CC(C)[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1 575443146 AQOXRNJUEXJAJL-ZDUSSCGKSA-N 304.419 2.804 0 40 DFAB CCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCOC)c(C)c1 225886150 NIGOEDMDBVIOBW-QGZVFWFLSA-N 324.421 2.949 0 40 DFAB COc1cc(NC(=O)[C@@H]2CCCN(C)C2)c(OC)cc1Cl 82338194 MSRGSSHETGFECV-SNVBAGLBSA-N 312.797 2.638 0 40 DFAB COc1cc(Nc2ncnc3c2ncn3C2CC2)cc(OC)c1 292471442 PYGYSMUYIQMTTE-UHFFFAOYSA-N 311.345 2.922 0 40 DFAB CC1(c2nc(=NC(=O)[C@@H]3CCOc4ccccc43)s[nH]2)CC1 529704212 KAZLANHGZSGOLE-LLVKDONJSA-N 315.398 2.516 0 40 DFAB CCNC(=O)NCc1ccccc1CN(C)Cc1ccco1 80563811 LYENKYNNWIWVNF-UHFFFAOYSA-N 301.390 2.731 0 40 DFAB COc1cc(C)c(CN[C@H]2CCN3CCCC[C@H]23)cc1OC 83450495 JBIJADGSYQSMOG-JKSUJKDBSA-N 304.434 2.729 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 225592210 BHJUASNSOCANDM-NEBZKDRISA-N 319.788 2.869 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cnsn1 195577948 MSWNMLNQQDHGCB-UHFFFAOYSA-N 305.403 2.606 0 40 DFAB CCc1cccc(NC(=O)NCc2cc(C)nc(N(C)C)n2)c1 191608365 GHLIOLNXIIRNCM-UHFFFAOYSA-N 313.405 2.735 0 40 DFAB O=C(c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1 225661291 RIFKPVQZEUPCDN-UHFFFAOYSA-N 310.382 2.704 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N[C@H]1CC[C@H](N(C)C)C1 195579924 QAVGCNVNNVSXBT-KBPBESRZSA-N 324.852 2.880 0 40 DFAB CN(Cc1cnccn1)C(=O)c1cccc(OC(F)(F)F)c1 96476108 SDFOVTQVECZJAP-UHFFFAOYSA-N 311.263 2.647 0 40 DFAB CCO[C@@H]1CCCN(CCC(=O)Nc2cccc(OC)c2)C1 96435748 HKTPCJYHGNVWNE-MRXNPFEDSA-N 306.406 2.525 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)C1(NC(=O)OC(C)(C)C)CC1 96471916 AEVFLKJLQZQLGG-NSHDSACASA-N 324.446 2.853 0 40 DFAB CC(C)n1cc(Br)cc1C(=O)O[C@@H]1CCOC1 96442018 PPFSIYUQLRKCKB-SNVBAGLBSA-N 302.168 2.777 0 40 DFAB Clc1ccc2c(c1)C=C(CN1CCC3(C1)OCCO3)CO2 93012976 UMOASXCYCCAPLB-UHFFFAOYSA-N 307.777 2.565 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 97234393 FCIZJKLZESYZOX-BFHYXJOUSA-N 308.451 2.930 0 40 DFAB C[C@@H]1CSc2ccccc2CN1C(=O)[C@@H]1CCCCC(=O)N1 252503025 UXLYMXMQVAMGBI-OCCSQVGLSA-N 318.442 2.568 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCOc2ccccc2F)n1 257200914 AFIKPWSCWCFDLY-AWEZNQCLSA-N 317.364 2.990 0 40 DFAB CCCn1ccc(C(=O)N2CCC[C@@]2(C)c2nccc(C)n2)n1 257287514 PQHPYPOVGISECY-KRWDZBQOSA-N 313.405 2.543 0 40 DFAB CN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1 257228447 FTWWDFZAWLHMJR-LJQANCHMSA-N 315.461 2.737 0 40 DFAB Cc1nccc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)n1 257290441 QCYXKTMHNVVOII-LESCRADOSA-N 323.396 2.715 0 40 DFAB CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4cc(C(C)C)on4)[C@H]1[C@H]3C2 286922224 BLMZKGFEFKILJI-NCSKVMEWSA-N 305.378 2.685 0 40 DFAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)Cc3ccccc3)C[C@H]21 585110030 XQLDDHBBLUBDSC-RDJZCZTQSA-N 321.424 2.941 0 40 DFAB CCc1c(O)nc2c(I)cccc2c1O 685937469 WGXCGCDMMKMICR-UHFFFAOYSA-N 315.110 2.813 0 40 DFAB O=C(O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 37245224 CTQZOJRETNUGLM-UHFFFAOYSA-N 324.130 2.914 0 40 DFAB in-vitro O=C(NCc1ccc(COc2ccccc2)cc1)c1cc[nH]n1 49759099 QCFPUXCMHMMDMM-UHFFFAOYSA-N 307.353 2.919 0 40 DFAB Cc1ccc(C)c([C@@H](O)CN(C)Cc2cccc(C(N)=O)c2)c1 76089491 MRQUGIHLRBUSNL-SFHVURJKSA-N 312.413 2.568 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)CCc2ccncc2)C12CCCC2 76067940 HQKOMHUJAOKRNT-HOTGVXAUSA-N 302.418 2.868 0 40 DFAB CCOC(=O)c1c(C)c2c(n1C)CC[C@H](CCC(C)=O)C2=O 5218129 RBGUDMVCIRGHEJ-LBPRGKRZSA-N 305.374 2.625 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccn1 14094481 BSBMBGXYHPILDA-QMMMGPOBSA-N 302.808 2.836 0 40 DFAB Cc1nnc(S/C(=C\c2cn(C)c3ccccc23)C(=O)O)[nH]1 6328701 OGLAMAAHZFWERO-QPEQYQDCSA-N 314.370 2.823 0 40 DFAB Cc1nc(C2CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 1888896980 UOHBHDGLUGNWJB-UHFFFAOYSA-N 318.421 2.720 0 40 DFAB CC(C)(COCc1ccccc1)NC(=O)NCC(F)(F)F 225568267 YTSNHMJXSDDVRT-UHFFFAOYSA-N 304.312 2.843 0 40 DFAB Fc1ccc2c(c1)CN(Cc1ncc[nH]1)CCOCCCCO2 2037988996 QMMALCFUTZGZEU-UHFFFAOYSA-N 319.380 2.740 0 40 DFAB CCCCCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC 2696721 MGEJJMIFNRHGMM-UHFFFAOYSA-N 322.405 2.535 0 40 DFAB Cc1nc(C(=O)N2CC[C@@]3(COc4ccccc43)C2)cs1 2055793404 YHTITKRZCQVARW-INIZCTEOSA-N 300.383 2.628 0 40 DFAB Cc1cc(N2CCN(c3nccc4ccccc34)CC2)ncn1 1775975261 FDGULDIPLNIWFX-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB Cc1ccc(N2CCN(c3ncnc4cnccc34)CC2)c(C)c1 2298065703 CPEQZBCFKXDILC-UHFFFAOYSA-N 319.412 2.968 0 40 DFAB COc1ccc2cc(C(N)=O)/c(=N/c3ccccc3F)oc2c1 8556173 BVSLUTYTVWPNJL-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB C[C@H](CCOc1ccccc1)C(=O)N1CC[C@H](N2CCCC2)C1 73073367 URPNUGBGXJZFQF-SJORKVTESA-N 316.445 2.788 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 40313379 ZOTPKDADJQXKAP-BMIGLBTASA-N 322.792 2.910 0 40 DFAB biogenic CC(=O)C[C@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 40556066 FJNJCGCPNZUHFT-AWEZNQCLSA-N 312.291 2.660 0 40 DFAB CCc1cccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1 40526327 WIDYLBGNHZYHBP-UHFFFAOYSA-N 315.417 2.772 0 40 DFAB C1=CCN([C@@H]2CCN(c3ncnc4c3oc3ccccc34)C2)C1 101341808 GYVVZRBOYBJVBK-CYBMUJFWSA-N 306.369 2.827 0 40 DFAB NC(=O)[C@H]1CCN(c2ncnc3sc(-c4ccccc4)cc23)C1 52392306 LOVKJIMNPXTGFG-LBPRGKRZSA-N 324.409 2.670 0 40 DFAB CN(C)C(=O)c1cccc(CNC(=O)CCc2ccsc2)c1 32817507 BSEGDNCBTVMIAY-UHFFFAOYSA-N 316.426 2.699 0 40 DFAB NC(=O)CN(Cc1ncc(-c2ccc(F)cc2)o1)C1CCCC1 52826402 AUEVOZWCSICAEK-UHFFFAOYSA-N 317.364 2.711 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1oc2c(F)cccc2c1C 33211992 MWSRMUPQAPGYCQ-ZDUSSCGKSA-N 318.348 2.621 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@H]1CCO 545908 IWLCLZPNLIMEAS-AWEZNQCLSA-N 300.402 2.896 0 40 DFAB O=C(N[C@H]1CCCCC[C@H]1C(=O)O)c1cccc2cc[nH]c12 97013657 PNUFJFSQWFCLRX-OCCSQVGLSA-N 300.358 2.931 0 40 DFAB CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(N)s1 78768676 AJJQQPXWIJWLNB-LBPRGKRZSA-N 308.451 2.659 0 40 DFAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCC[C@H]1CCCO1 79043328 FMLOTTNMUNGKDX-CYBMUJFWSA-N 318.417 2.970 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc(C)c3C)C2)n1 72235175 QJOQHHQRHJJKMO-MRXNPFEDSA-N 312.417 2.989 0 40 DFAB CN(C)C(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C=O 1593565 WUJUCFWTAHVUMR-ROUUACIJSA-N 310.397 2.688 0 40 DFAB CCCN(CCC)c1ccc(C(=S)N2CCNCC2)cc1 2700722 XYJPSQIXWHQPRF-UHFFFAOYSA-N 305.491 2.894 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCC)cc1 974796 PHRYLDQBVUCGIH-HNNXBMFYSA-N 318.373 2.619 0 40 DFAB COc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)cc1 3885381 OEFNCYQPHOWNKC-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB CC1(C)Cc2ccccc2-c2nnc(SCC3OCCO3)n21 4168706 ZTRIPKJKJFTPPA-UHFFFAOYSA-N 317.414 2.701 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)n1 54674195 QHULNUGTZGVSGS-CYBMUJFWSA-N 303.362 2.916 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CC 4860754 AUFYZCKAZLAPKZ-SNVBAGLBSA-N 322.434 2.873 0 40 DFAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 4974137 YGFPVEBYZARHFM-OAHLLOKOSA-N 306.406 2.852 0 40 DFAB O=C(NCc1cn2ccccc2n1)N[C@@H]1CCc2ccccc21 54953720 VFUKGTGWSDVHCJ-MRXNPFEDSA-N 306.369 2.821 0 40 DFAB O=C(Nc1ccccc1)C1CCN(C[C@H]2CCCCO2)CC1 24855621 GVRIVNWMXASYOO-QGZVFWFLSA-N 302.418 2.906 0 40 DFAB C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccn1 25405585 MZVWXIZGVNUXJS-CYBMUJFWSA-N 317.433 2.544 0 40 DFAB CCCOC(=O)c1nnc2sc(-c3ccc(F)cc3)nn12 57338981 QLVKJTLDFYZLNM-UHFFFAOYSA-N 306.322 2.559 0 40 DFAB C[C@@H](CO)NC(=O)c1ccc(NCc2cccc(F)c2F)cc1 84640305 GGXBWGCYPAZERC-NSHDSACASA-N 320.339 2.688 0 40 DFAB CCOC(=O)NCC(=O)N[C@H](c1cccs1)C1CCCC1 58171716 QCKLIVBYMCBQNI-AWEZNQCLSA-N 310.419 2.842 0 40 DFAB COc1ccc(CCNC(=O)c2cccc(NC(C)=O)c2)cc1 12621377 MZDFCPTUYYZGFZ-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccco2)c1 72295425 GWPGPJDOLRRCSX-CMDGGOBGSA-N 313.357 2.703 0 40 DFAB COCCn1cc(NC(=O)N(C)[C@@H]2CCc3ccccc32)cn1 44973092 RNATUJJNARHKIX-MRXNPFEDSA-N 314.389 2.681 0 40 DFAB CC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccco1 3367548 WLVGIUUGPXROMZ-UHFFFAOYSA-N 307.733 2.831 0 40 DFAB Cc1ccc(CNC(=O)c2ccc[nH]2)c(OC[C@@H]2CCOC2)c1 87485428 IXERRLFFFCHKQB-CQSZACIVSA-N 314.385 2.668 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 45689781 DVZWLRBUNDJEIT-XHDPSFHLSA-N 314.393 2.671 0 40 DFAB CN(Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)nc1 45844954 PWIOLKYABDUNDO-UHFFFAOYSA-N 314.389 2.616 0 40 DFAB Cc1sc(NC(=O)COc2ccc(F)cc2)c(C(N)=O)c1C 2751969 HNQCBEGIQAORAE-UHFFFAOYSA-N 322.361 2.620 0 40 DFAB CN(C)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 3480736 WLKMKFOWWDJDGJ-UHFFFAOYSA-N 309.413 2.715 0 40 DFAB CC[C@H]1CO[C@H](C)CN1Cc1nc(-c2ccc(OC)cc2)no1 12985666 QFDZKZJEMHWWLB-OCCSQVGLSA-N 317.389 2.745 0 40 DFAB COCCOc1ccc([C@H](C)NC(=O)C=C(C)C)cc1OC 49163797 YLMUUNDWKFIMTB-ZDUSSCGKSA-N 307.390 2.864 0 40 DFAB C[C@@H](O)[C@H]1CCN(C(=O)Nc2cccnc2-c2ccco2)C1 96010632 LLOHPDASUVCGJP-NEPJUHHUSA-N 301.346 2.576 0 40 DFAB Cc1nc2ccccc2c2nc(NC(=O)c3ccccc3F)nn12 5274804 PJMKKWSJYXUIEY-UHFFFAOYSA-N 321.315 2.977 0 40 DFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC(C)(C)C(=O)O 65415685 WGGZRQXLDGAYOD-UHFFFAOYSA-N 322.361 2.851 0 40 DFAB CCn1cc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 65593415 LBSVJGSJBOYAAI-CYBMUJFWSA-N 322.409 2.631 0 40 DFAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCNCC3)c12 6663421 RFARGMGNRUMBDJ-UHFFFAOYSA-N 321.428 2.506 0 40 DFAB CCn1c(CSc2nnc(N)s2)nc2cc(F)ccc21 66256182 XBOADQQEBSSFFA-UHFFFAOYSA-N 309.395 2.921 0 40 DFAB O=C(C[C@H]1C=CCC1)Nc1cccc(S(=O)(=O)C(F)F)c1 66444637 ODWDWQXMLDULNS-JTQLQIEISA-N 315.341 2.978 0 40 DFAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)NC1CCCC1 5703673 IOPMYRMTSJDXBY-GFCCVEGCSA-N 314.385 2.782 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)Nc2n[nH]c(C(C)C)n2)ccn1 96495002 MIORKOMQNPFESP-SNVBAGLBSA-N 303.366 2.753 0 40 DFAB CN(C)[C@H](CNCc1nc(C2CC2)no1)c1ccccc1Cl 69157743 PNCBZEAIFYWJLV-CQSZACIVSA-N 320.824 2.993 0 40 DFAB CC(=O)N(CCC(=O)NCCc1ccccc1)Cc1ccccc1 69391073 XAVZLXIKRCBCPO-UHFFFAOYSA-N 324.424 2.784 0 40 DFAB COc1c(Cl)cc(NC(=O)[C@@H](C)n2cncn2)cc1Cl 69453280 YCZDBGCWRBEYNM-SSDOTTSWSA-N 315.160 2.793 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69490879 HOHMIPSKHRVAIE-SZMVWBNQSA-N 316.445 2.677 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 69463762 CCWINNWKLXKXFS-IRXDYDNUSA-N 316.420 2.943 0 40 DFAB Cc1nnc2n1C[C@H](CNCc1cnc(C(C)(C)C)s1)CC2 71877315 VVXZILOHXPUTMJ-LBPRGKRZSA-N 319.478 2.693 0 40 DFAB O=C(CCN1CCSC1=O)OCc1nc2ccccc2s1 8543602 LYAMUNWDOPMVCD-UHFFFAOYSA-N 322.411 2.898 0 40 DFAB CC(C)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 71908039 XDWBJPDGNFAEJU-HNNXBMFYSA-N 316.449 2.975 0 40 DFAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)N1CCCC1=O 69740343 NVPLHCWHSJFQNX-BZNIZROVSA-N 324.371 2.789 0 40 DFAB C[C@H]1CN(C2CCN(CCSc3ccccc3)CC2)CCO1 71910670 ZMZBGOVNGBNARY-INIZCTEOSA-N 320.502 2.964 0 40 DFAB O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCc2ccccc2C1 69808585 GNNBWFZOADTGRH-INIZCTEOSA-N 324.428 2.576 0 40 DFAB Cc1ccccc1[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 74111738 OWHZGBBKOQKHKD-GFCCVEGCSA-N 301.367 2.901 0 40 DFAB CCc1noc2ncc(S(=O)(=O)N(C)C3CCCCC3)cc12 95940976 MGZZPEJGXHTBMT-UHFFFAOYSA-N 323.418 2.738 0 40 DFAB O=C(Nc1nncn1-c1ccccc1)[C@@H]1OCCc2ccccc21 95988435 TZWLWWYZCYYKNW-MRXNPFEDSA-N 320.352 2.520 0 40 DFAB CC(C)(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 95994413 XSBPIFNCGNRRFS-UHFFFAOYSA-N 308.765 2.886 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)Nc2cccc(F)c2)c1 95990465 RJUVNDVZSDXTAF-NSHDSACASA-N 308.378 2.907 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCC(F)F)C1 74307413 XMCCGOYCBZFFAL-GFCCVEGCSA-N 315.339 2.667 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(C2CCC2)o1 89396531 MTNVUXRDAXMXHR-RDBSUJKOSA-N 319.405 2.643 0 40 DFAB Cc1cccc(-c2ccc(CNC(=O)Cn3cncn3)cc2)c1 75140536 YIRFLBFLKKDHGU-UHFFFAOYSA-N 306.369 2.570 0 40 DFAB O=C(NC[C@H]1CC=CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O 75124382 YNTBSLGLMBOFQI-VIFPVBQESA-N 315.295 2.872 0 40 DFAB COc1ccc(NC(=S)NC2CCN(C)CC2)cc1Cl 63142893 GYVSYJXVUFRKLP-UHFFFAOYSA-N 313.854 2.729 0 40 DFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCn1ccnc1 408677337 CQUYGQUONZPQGW-MRXNPFEDSA-N 301.390 2.555 0 40 DFAB O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccccc1F 26897596 YLOZTJQWGNIWHZ-SFHVURJKSA-N 318.367 2.820 0 40 DFAB C[C@@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCO4)c2C1 20572131 CRFMWUVHPTVHAM-SECBINFHSA-N 300.314 2.780 0 40 DFAB CCc1nnc2sc(SCc3ccc(C)cc3)nn2c1=O 28561883 SYDLPEZRCZOSKM-UHFFFAOYSA-N 318.427 2.709 0 40 DFAB Cc1nc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC(C)(C)C)C3)c(C)o1 520217464 MXERKMMKMFQYDN-XQQFMLRXSA-N 320.389 2.626 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ncccc2F)c(C)c1 528574136 JOAKUYSRYHNAFU-NSHDSACASA-N 324.377 2.577 0 40 DFAB O=C(O)[C@@H](c1ccccc1F)N1CC[C@H](c2cccnc2)C1 568060181 UTAJAGSEXRCSND-XJKSGUPXSA-N 300.333 2.836 0 40 DFAB Cc1cccc(CNC(=O)c2cc(C)nc(N3CCCC3)n2)c1 72239872 AMGNUIYJXAYTCM-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB O=C(O)c1cc(O)n(-c2ccc(Cl)cc2C(F)(F)F)n1 217697558 XDPNGNLFYQVCBZ-UHFFFAOYSA-N 306.627 2.948 0 40 DFAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCC1CCCC1 562714538 AZAAFRDMVJNGQB-NSHDSACASA-N 314.451 2.722 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1F 74931915 VLVGZOOHVQFCQX-UHFFFAOYSA-N 323.345 2.706 0 40 DFAB O=C(NC[C@@H]1CCNC[C@@H]1C(F)(F)F)OCc1ccccc1 199714806 GSKKUDWXZVWAMK-STQMWFEESA-N 316.323 2.701 0 40 DFAB COC(=O)CN(Cc1cc(F)ccc1Cl)C1CCOCC1 225461868 FWMGIDSWUOMXDR-UHFFFAOYSA-N 315.772 2.633 0 40 DFAB CN1C(=O)CC[C@H](N[C@H]2CCCSC2)[C@@H]1c1cccs1 195558671 AMOMQOGHVNEHTH-SLEUVZQESA-N 310.488 2.895 0 40 DFAB O=C(O)c1cnc(-c2cccc(COc3ccccc3)c2)[nH]c1=O 225327658 WAOQQACGTXZLDI-UHFFFAOYSA-N 322.320 2.714 0 40 DFAB O=C(O)C1(COc2ccc(Br)cc2)CCOCC1 85390570 UBPVYJPUNXYCSR-UHFFFAOYSA-N 315.163 2.709 0 40 DFAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC 223282022 XQCNFQHSPCWZNI-ZDUSSCGKSA-N 308.397 2.869 0 40 DFAB Cc1cc(NC(N)=S)cc(C)c1I 45889793 LMNXPOGAGRFLCM-UHFFFAOYSA-N 306.172 2.564 0 40 DFAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCCO2 49544045 HIICNHZJOZEQHJ-AWEZNQCLSA-N 317.370 2.616 0 40 DFAB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F 96443055 FUUMCLCMEHRREV-NXEZZACHSA-N 309.328 2.765 0 40 DFAB Cc1cccc(N2CCN(Cc3cnc4ncccn34)CC2)c1C 96489445 KOXQBLZRNQHCML-UHFFFAOYSA-N 321.428 2.668 0 40 DFAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2cccnc2)CC1 96029445 PCYDCQJTHBTWIV-UHFFFAOYSA-N 305.422 2.600 0 40 DFAB Cc1nc(-c2cccc(C(=O)N[C@@H](C)COCC(C)C)c2)no1 96422324 KYVXJTFNMSSQOR-LBPRGKRZSA-N 317.389 2.836 0 40 DFAB CC[C@H]1N(C(=O)OCc2ccccc2)CCC[C@]12CCC(=O)N2 91302974 DNNYGFLKBYGKGK-QAPCUYQASA-N 316.401 2.846 0 40 DFAB COc1ccc([C@@H](NCc2nc(C)no2)C(F)(F)F)cc1 96500237 ATSOGQSCOKJYKN-GFCCVEGCSA-N 301.268 2.780 0 40 DFAB CC(=O)c1csc(C(=O)OC2CCN(CC(F)F)CC2)c1 97374979 PXPSZOXLUMMVRV-UHFFFAOYSA-N 317.357 2.837 0 40 DFAB CN(C)C(=O)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 96239540 YHSIWQSEMUGGRQ-INIZCTEOSA-N 323.387 2.906 0 40 DFAB c1csc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)c1 96047941 FMYMQDRGLIKZIG-OAHLLOKOSA-N 306.475 2.967 0 40 DFAB O[C@H](Cn1ccnc1[C@H](O)c1ccccc1)c1ccc(F)cc1 97375829 NHEFFSFDJMTVOQ-IAGOWNOFSA-N 312.344 2.838 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96229685 UDBAOCLXYZWSHO-IBGZPJMESA-N 314.429 2.866 0 40 DFAB CN(C)[C@H](CN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(C)c1 249270305 JZZRGRMMCCWNPA-HZSPNIEDSA-N 318.387 2.734 0 40 DFAB CCc1ccc(C(=O)N2CC3(C[C@H](CCOC)CCO3)C2)cc1 247887517 SBQKXKDNXQOBCG-MRXNPFEDSA-N 317.429 2.907 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 257318528 VOHMJHZNUSXJOS-CYBMUJFWSA-N 308.385 2.758 0 40 DFAB O=C(CCc1ccccc1F)N1CCNC[C@H]1c1ccccc1 257284943 PEYSGPVAFCPCKJ-SFHVURJKSA-N 312.388 2.931 0 40 DFAB Cc1nc(N2CCCC2)nc2c1OC(c1ccccc1)=NN2C 257173092 CKLAPBNAAYIRSH-UHFFFAOYSA-N 309.373 2.576 0 40 DFAB CN1CCC[C@H](Cc2nccnc2-c2ccc(C(=O)O)cc2)C1 257285502 PHLFISVGPKEPJR-CYBMUJFWSA-N 311.385 2.726 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 257208584 BMTJUSWZCFJDNO-OAHLLOKOSA-N 315.392 2.881 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257215893 CSBWSTUZZOHQJW-OAHLLOKOSA-N 309.373 2.880 0 40 DFAB CCc1nc2ccc(C(=O)N3CCc4ncncc4C3)cc2s1 96122790 VDUDBMBZYMTDKG-UHFFFAOYSA-N 324.409 2.847 0 40 DFAB O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1CSCCS1 298834579 AVIGCPOEEHYORZ-SNVBAGLBSA-N 323.468 2.992 0 40 DFAB NC(=O)CCOc1ccccc1NC(=O)CCc1ccsc1 43244625 BPUUQARWKXCZHT-UHFFFAOYSA-N 318.398 2.574 0 40 DFAB CC(C)c1noc(CN2CCC[C@H]2c2noc(C3CC3)n2)n1 72300088 OQUXBZLIKJYXNK-NSHDSACASA-N 303.366 2.791 0 40 DFAB CCc1cc2c(NCc3nc(C)cc(O)n3)ncnc2s1 894376562 FPVWQAKKLBDJQH-UHFFFAOYSA-N 301.375 2.670 0 40 DFAB CN1CC(=O)N[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95972151 NZOIGTBNIDTPLH-JTQLQIEISA-N 312.213 2.784 0 40 DFAB COCC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615157997 PGMQHSJOLMJGDV-SFHVURJKSA-N 320.408 2.822 0 40 DFAB CC(C)COCCCNS(=O)(=O)c1ccc2c(c1)CCC2 12976731 DTBMLRFCECCGOQ-UHFFFAOYSA-N 311.447 2.516 0 40 DFAB O=C(CCCc1ccccc1)NCc1n[nH]c(=O)c2ccccc12 5313336 BMGRWJBMXOJKAV-UHFFFAOYSA-N 321.380 2.562 0 40 DFAB Cc1cc(C(=O)Nc2ncc(C)s2)c2c(C)nn(C)c2n1 14815338 PLTKIJBPWSZOHV-UHFFFAOYSA-N 301.375 2.602 0 40 DFAB CC(C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 17127382 YBOFKERAGNMSOT-UHFFFAOYSA-N 322.836 2.964 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)c(C(F)(F)F)c1 14095656 XYXQFVMESPCQHJ-SECBINFHSA-N 317.311 2.660 0 40 DFAB Cc1cs/c(=N\c2cccc(Cl)c2)n1N1CCOCC1 7572756 PEPSBGUMBVZUIH-PEZBUJJGSA-N 309.822 2.712 0 40 DFAB CC(=O)c1s/c(=N\c2ccc(C)cc2C)n(CCO)c1C 10187278 BEBKSPHJCZONJW-MSUUIHNZSA-N 304.415 2.902 0 40 DFAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc2ccccc2n1 206814924 QQVQSJMMKIZOHY-ZDUSSCGKSA-N 324.409 2.700 0 40 DFAB C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@H](N2CCCC2)C1 73073365 URPNUGBGXJZFQF-IRXDYDNUSA-N 316.445 2.788 0 40 DFAB C[C@@H](SC(F)(F)F)C(=O)NCc1cn2ccccc2n1 40088883 SULGSUYYALCTPC-MRVPVSSYSA-N 303.309 2.592 0 40 DFAB COc1cccc([C@H](CNc2cncc(Cl)n2)N(C)C)c1 50107444 DXEGVEYILIHHIB-ZDUSSCGKSA-N 306.797 2.853 0 40 DFAB Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1 163387 LZEIUGVBBJYCFL-UHFFFAOYSA-N 306.304 2.859 0 40 DFAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)SC 40540939 CXYMAIBBJMQVLI-DZGCQCFKSA-N 323.458 2.954 0 40 DFAB COc1ccc(OC)c([C@H]2SCC(O)=Nc3n[nH]cc32)c1 20735483 GCEXQCMMVVAGCQ-CYBMUJFWSA-N 305.359 2.851 0 40 DFAB Cn1ncc(Cl)c1C(=O)Nc1ccn(Cc2ccccc2)n1 374758 QMJPTYCGBQQPFM-UHFFFAOYSA-N 315.764 2.571 0 40 DFAB Cc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 344651 LNDPCWUBYCIBKW-UHFFFAOYSA-N 310.463 2.583 0 40 DFAB COc1ccc2c(c1)C(=O)C[C@](O)(C(F)(F)C(F)(F)F)O2 510165 LTZOLGNGPHPQHH-SNVBAGLBSA-N 312.190 2.547 0 40 DFAB COc1ccc(CC(=O)NC(=S)Nc2ccccc2)cc1 502888 HHOFSEDOUWTLTH-UHFFFAOYSA-N 300.383 2.751 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 33679652 LJSQVIKPYOZIEG-ZDUSSCGKSA-N 321.396 2.938 0 40 DFAB CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1C 55184 LJLGNRAKHONQSG-UHFFFAOYSA-N 308.337 2.602 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1 233266 YQTLTVWPASYOBO-KRWDZBQOSA-N 309.365 2.826 0 40 DFAB CC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 412353 YIOYBXKEGCRSNU-UHFFFAOYSA-N 323.400 2.877 0 40 DFAB Cc1ccc(CNS(=O)(=O)NCc2ccc(Cl)cc2)cc1 1403224 JHBFZQWAGUTURB-UHFFFAOYSA-N 324.833 2.773 0 40 DFAB O=C1O[C@@](Cc2ccccc2)(N2CCCC2=O)[C@@H]1c1ccccc1 1623856 DNJDYUUIZCUUIV-UYAOXDASSA-N 321.376 2.888 0 40 DFAB COC[C@@H]1CN([C@H](C)Cc2nc3ccccc3s2)CCO1 79325603 QFFCXTUPGLFERU-OLZOCXBDSA-N 306.431 2.575 0 40 DFAB O=C(NCc1ccco1)C(=O)Nc1cccc(Cl)c1Cl 3082169 BROIUBMDYGVMCU-UHFFFAOYSA-N 313.140 2.841 0 40 DFAB COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC 4012417 QDBBFORVWWODCU-SIIHOXLZSA-N 321.417 2.668 0 40 DFAB O=C(Oc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 24765709 DKFUHUFBIZORDZ-UHFFFAOYSA-N 324.311 2.701 0 40 DFAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 7408187 YLSDCZWWAZOMIJ-UHFFFAOYSA-N 301.346 2.717 0 40 DFAB Cc1ccc([C@@H]2CN(C(=O)Cc3cc(C)on3)CCO2)c(C)c1 74036028 RDRKTSKSZPGWIL-KRWDZBQOSA-N 314.385 2.742 0 40 DFAB O=C(c1ccc2oc(-c3ccccc3)nc2c1)N1CCOCC1 59843201 RGRHNILFUREGSN-UHFFFAOYSA-N 308.337 2.967 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2nnc(C)s2)c1 43407308 HOELTFLPAOWQJY-MRVPVSSYSA-N 322.390 2.746 0 40 DFAB Cc1cc(N2CCCC[C@H]2CNC(=O)OC(C)(C)C)ncn1 95972399 OJFDVDTZKZRCAL-ZDUSSCGKSA-N 306.410 2.669 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1CCCC2 12552404 PACIOXHQOAUXNY-UHFFFAOYSA-N 306.387 2.971 0 40 DFAB CNC(=O)[C@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 26702731 ZTKOEWRWWQAUEL-NSHDSACASA-N 300.358 2.650 0 40 DFAB COc1cccc(F)c1C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 84686325 YLRJEQFTTRZDOJ-ZIAGYGMSSA-N 322.424 2.932 0 40 DFAB CCOc1ccc2c(c1)cc(C(=O)NCc1cccnc1)n2C 35558627 UREZPPFPUMHLHI-UHFFFAOYSA-N 309.369 2.902 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 3252260 KLHGNEZEZUMROU-BDAKNGLRSA-N 301.264 2.843 0 40 DFAB CN(C)[C@H](CNC(=O)c1cc2c(F)cccc2[nH]1)c1ccco1 48234690 NECOMPMNVIXQFZ-OAHLLOKOSA-N 315.348 2.933 0 40 DFAB C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccnc1 44949472 SKHBYVAZMCPUSI-TZMCWYRMSA-N 318.446 2.806 0 40 DFAB CN(C)CCCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1ccco1 2108985 FRBNYQPMSBVKEJ-HNNXBMFYSA-N 322.449 2.879 0 40 DFAB biogenic C[C@@H](COCC(F)(F)F)NC(=O)c1ccc2ccccc2n1 58417960 NCHQFMLXJSDUMA-JTQLQIEISA-N 312.291 2.932 0 40 DFAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1Cl 10943410 IHGRSUJBXPWJHG-SNVBAGLBSA-N 309.797 2.721 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccnc1Cl 3312947 JZHILOUHDUMPED-PWSUYJOCSA-N 310.781 2.587 0 40 DFAB O=C(CN1CCC(c2cc[nH]n2)CC1)NCCC1=CCCCC1 58246117 FMKQYKLBWNGHAB-UHFFFAOYSA-N 316.449 2.596 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)O[C@H]1c1ccccc1 2449480 RISIRWDRBBDOPW-GUYCJALGSA-N 311.337 2.938 0 40 DFAB COc1ccc(CSc2nnc(-c3ccco3)n2N)cc1F 3381212 VZKSCRCSXGMSDO-UHFFFAOYSA-N 320.349 2.692 0 40 DFAB Cc1ccc(F)cc1NC(=O)COc1ccc2c(c1)OCO2 27935343 KYKGPXKXJSLNQU-UHFFFAOYSA-N 303.289 2.880 0 40 DFAB COc1ccc(CSCC(=O)NCc2cccnc2)cc1 20237845 NAWUIEUCVKPPOW-UHFFFAOYSA-N 302.399 2.640 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 2794777 ACGJEOKUSBVTDS-LLVKDONJSA-N 310.357 2.875 0 40 DFAB O=C(OCN1C(=O)C(=O)c2ccccc21)c1ccc(Cl)cc1 2709440 QYGHMWWBRHIOBW-UHFFFAOYSA-N 315.712 2.684 0 40 DFAB O=C(NCCC(=O)N1CCc2sccc2C1)c1cccs1 12216020 JSVBLSCRXRDKCQ-UHFFFAOYSA-N 320.439 2.514 0 40 DFAB Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1F 12813504 OIHRCFSIWVPOEN-UHFFFAOYSA-N 315.348 2.618 0 40 DFAB C[C@H]1C[C@@H](NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CCO1 95455595 HUWFJQBOTRZGOX-AAEUAGOBSA-N 323.824 2.633 0 40 DFAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1CC[C@@H]2C[C@H]2C1 408501955 QFMTUKAWQPEGJM-HLTSFMKQSA-N 319.835 2.643 0 40 DFAB O=C(Cc1cccc2ccccc12)NCc1nnc2ccccn12 9114431 YJMCZFPZASBCHK-UHFFFAOYSA-N 316.364 2.741 0 40 DFAB COc1cc(Cn2ccccc2=O)cc(Br)c1OC 49469920 HCECSMJQRJJWMI-UHFFFAOYSA-N 324.174 2.676 0 40 DFAB O=S(=O)(Nc1nccs1)c1cc(Cl)cc2c1OCC2 96009580 JYJKZCRRJDVPKW-UHFFFAOYSA-N 316.791 2.532 0 40 DFAB C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCN(C3CCOCC3)CC2)C1 95401187 PIOPGPXQOLTIDW-HZPDHXFCSA-N 322.493 2.915 0 40 DFAB Cc1ccc(Nc2nc(NN)nc(Nc3ccccc3)n2)cc1 6267050 ALUAAPQKBSBFBG-UHFFFAOYSA-N 307.361 2.953 0 40 DFAB COC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2C 95435388 JPMNXMROGRNASK-UHFFFAOYSA-N 323.352 2.541 0 40 DFAB C[C@@H](N[C@H]1CCS(=O)(=O)C1)c1ccc(SC(F)F)cc1 95419514 SHIUWWVZGWQYFZ-KOLCDFICSA-N 321.414 2.839 0 40 DFAB C[C@H]1CCC[C@H](C)N(C(=O)NCc2nnc3n2CCCCC3)C1 95404460 VHGGNCQMMBMYHA-KBPBESRZSA-N 319.453 2.725 0 40 DFAB Cn1c(=O)n(CN2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 14182412 UWRTXBKTDXKONC-LLVKDONJSA-N 313.323 2.572 0 40 DFAB O=C(/C=C/c1ccccn1)Nc1cnn(Cc2ccccc2)c1 65608338 WZHJIJFIFODADG-MDZDMXLPSA-N 304.353 2.978 0 40 DFAB CCCC1=C(C(=O)OCC)[C@@H](c2ccco2)n2nc(C)nc2N1 9341430 XLADDWICDULTCZ-CQSZACIVSA-N 316.361 2.812 0 40 DFAB COC(=O)[C@]1(C)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 93813802 LPCVUQQIOYIKNY-QGZVFWFLSA-N 317.364 2.601 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 28239630 ADZGURJWRVYBID-GFCCVEGCSA-N 303.362 2.626 0 40 DFAB CSc1ccccc1C(=O)OCC(=O)N1CCCCCC1 6945450 PFBKZOWQCOZQEP-UHFFFAOYSA-N 307.415 2.968 0 40 DFAB C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C[C@H](C)O1 4950104 GGYYSCNUILLUHW-KZQRZKTQSA-N 319.792 2.637 0 40 DFAB COc1ccnc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c1 96407250 GJNQGRWRCCANLK-CXAGYDPISA-N 312.369 2.692 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)[nH]n1 96417251 LFBJKCLXEOPFNS-GFCCVEGCSA-N 318.352 2.700 0 40 DFAB CC(C)(C)c1ccc(=O)n(CN2CCC[C@@H](C(F)(F)F)C2)n1 96403650 RGFMYWLYCHOCFN-LLVKDONJSA-N 317.355 2.773 0 40 DFAB CNc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 7844498 RKETXKZZHQDCAG-UHFFFAOYSA-N 323.443 2.636 0 40 DFAB C[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 68630417 KCKXSHFYVGNUSE-GDBMZVCRSA-N 304.438 2.736 0 40 DFAB O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2ccccc2s1 71832954 NFUYAEJNDUDXIV-YPMHNXCESA-N 302.399 2.996 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 71830767 VBCLEQZMFGTIMD-UXLLHSPISA-N 301.434 2.867 0 40 DFAB COC(=O)CCNc1ncnc2sc3c(c12)CCCCC3 8193548 PNJAGFCBAPOWFF-UHFFFAOYSA-N 305.403 2.935 0 40 DFAB C[C@@H](SC1=NCCS1)C(=O)Nc1ccc(Cl)cn1 8329377 BSCKNYSVMJGELY-SSDOTTSWSA-N 301.824 2.898 0 40 DFAB Cc1csc(CNC(=O)N(Cc2ccncc2)C2CC2)n1 69419125 UGYNSNXOEIPSET-UHFFFAOYSA-N 302.403 2.721 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)ccc1=O 69521384 FSKQESSMZNXOBT-INIZCTEOSA-N 302.418 2.960 0 40 DFAB CCSc1nnc(-c2ccccc2NC(=O)CC)c(O)n1 17886860 QNPNLHPXSNEMBO-UHFFFAOYSA-N 304.375 2.705 0 40 DFAB Cc1nnnn1-c1cc(NC(=O)N2CCCCCC2)ccc1F 69716694 HYJONEUGVBWOPO-UHFFFAOYSA-N 318.356 2.518 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C 408618918 GOFISYFROZYAAB-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)Nc1cccc(NC(N)=O)c1 84070128 PSCADMSKDINKRC-JTQLQIEISA-N 316.386 2.692 0 40 DFAB Cc1nnc(-c2ccccc2C(=O)NCC[C@@H]2CCCCO2)o1 97080033 CQFTWRVHQLPYSY-ZDUSSCGKSA-N 315.373 2.734 0 40 DFAB O[C@H](COCc1cccs1)Cn1ccnc1-c1ccccn1 97021513 WDPZLCXMFSSVNC-ZDUSSCGKSA-N 315.398 2.584 0 40 DFAB CC1(C)C[C@H](NC(=O)c2cccnc2C(F)(F)F)CCO1 97095336 VEXZHEOPYWHBIA-SECBINFHSA-N 302.296 2.788 0 40 DFAB O=C(COc1ccccc1CO)Nc1ccc(OC(F)F)cc1 72281721 PIRQICNBLUUWBY-UHFFFAOYSA-N 323.295 2.798 0 40 DFAB c1ccc(-n2ccc(CNc3nnc(-c4ccncc4)o3)n2)cc1 97142095 OFQYWWTYUWVYSO-UHFFFAOYSA-N 318.340 2.929 0 40 DFAB CCc1cnccc1C(=O)NC[C@@](C)(O)c1ccccc1Cl 97143452 NVESFVJBOZGFSU-QGZVFWFLSA-N 318.804 2.935 0 40 DFAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1Cl 88270238 LZJRIFKUKSCEIB-AAEUAGOBSA-N 310.781 2.587 0 40 DFAB Cc1nc(C)n(C[C@H](O)COc2ccc(Cl)cc2Cl)n1 89201500 PGUKOIYUQRUTBH-NSHDSACASA-N 316.188 2.642 0 40 DFAB Cc1csc(CCCNC(=O)N2CCOC3(CCCC3)C2)n1 89705510 SSDFFERDLHJLLM-UHFFFAOYSA-N 323.462 2.739 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H]1C[C@@H]1c1ccccc1 89827974 QCEATJSNYZPMFP-YXJHDRRASA-N 313.445 2.574 0 40 DFAB CCCCc1nc(CN(CCN(C)C)c2ccccc2)no1 89954862 SVOSAPBUBMAVNY-UHFFFAOYSA-N 302.422 2.980 0 40 DFAB CC(C)c1nnc(NC(=O)NCCNc2ccccc2)s1 76017618 OVIXPBKRMNDAHP-UHFFFAOYSA-N 305.407 2.895 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccccc1Cl 65224845 JBANIOPSLIBRBW-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB Cc1cnn(-c2ccc([C@H](C)NC(=O)c3cc[nH]n3)cc2F)c1 76066525 MHIQNULMRDRSCO-NSHDSACASA-N 313.336 2.534 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 408707095 JSFKNUUUMRNOIQ-CABCVRRESA-N 310.397 2.784 0 40 DFAB CCn1cc(C(=O)NC(C)(C)C)c(=O)c2cc(OC)ccc21 22235647 JVEWDGLQEBSBJS-UHFFFAOYSA-N 302.374 2.558 0 40 DFAB Cc1cc(C)cc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1 27643167 ZCNOFMTUUCQMNW-UHFFFAOYSA-N 319.796 2.722 0 40 DFAB Cc1ccc(CN2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)s1 306131556 KIPXNUSOCUTRTN-GDBMZVCRSA-N 319.451 2.812 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C 30319583 XENCYTGVFMJIFF-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 33713829 GJZRUTYZVIBLCR-NSHDSACASA-N 308.378 2.855 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)NC[C@H](c1ccco1)N(C)C 38614515 GALFCOGDBDRBKU-TZMCWYRMSA-N 320.364 2.605 0 40 DFAB C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 78978825 KCMLXLWYTFKHQV-JTQLQIEISA-N 315.822 2.561 0 40 DFAB Cc1cc(N2CCC[C@H]2c2ccnc(-c3ccccn3)n2)ncn1 72355855 WMMCPUQJLILNIK-INIZCTEOSA-N 318.384 2.979 0 40 DFAB Cc1ccc(CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 182832967 YJSRFBXXSYHYEF-INIZCTEOSA-N 313.405 2.592 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 72228227 PGGUIBOQVBODSJ-GJZGRUSLSA-N 304.752 2.890 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)c1 72227752 UIHPIQIYRYEZAA-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(SC)s2)cc1C 224380227 CNWKJKHVMFKTKU-UHFFFAOYSA-N 309.416 2.758 0 40 DFAB O=C(Nc1cccnc1)c1ccc(O[C@@H]2CCSC2)nc1 225714353 RRDBZTCMOUSXJS-CYBMUJFWSA-N 301.371 2.613 0 40 DFAB CC(C)NC(=O)c1cc2nc(C(=O)O)n(C3CC3)c2cc1Cl 225731429 LMDUWOMGNYAWPL-UHFFFAOYSA-N 321.764 2.861 0 40 DFAB CC[C@@H](C(=O)NCc1ccnc(N2CCCC2)n1)c1ccccc1 224199909 MNBLIJSXOJWWJF-QGZVFWFLSA-N 324.428 2.887 0 40 DFAB O=C(c1cc(O)nc(C2CC2)n1)N1CCC=C(c2ccco2)C1 572376951 YPVRPZQIOQIGJK-UHFFFAOYSA-N 311.341 2.582 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)NC[C@@H](C)Cn2ccnc2)n1 81801488 AXQHKNMTEJEARD-LLVKDONJSA-N 321.812 2.516 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1 42646238 RFULVPISVUMCCB-GFCCVEGCSA-N 300.333 2.950 0 40 DFAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1C 225895194 FOHBIKOKCLQCRV-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB N[C@@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2ccsc2)C1 333806071 IMXWCZQZKAORPG-HOTGVXAUSA-N 322.474 2.946 0 40 DFAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@@H](C)n2cncn2)o1 96433275 RXKBHKQZSLLYCY-UMVBOHGHSA-N 316.405 2.994 0 40 DFAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(c2ncccn2)C1 95472461 FXGUWXYNOYSOJX-AWEZNQCLSA-N 321.384 2.813 0 40 DFAB NS(=O)(=O)CCCSc1ccc(Cl)c(Cl)c1 96430243 XIZQFFOUOHEHLX-UHFFFAOYSA-N 300.232 2.764 0 40 DFAB Cc1cccc2c1OCCC[C@H]2NCCCO[C@@H]1CCOC1 96479317 MKYUCJVOANWNGR-NVXWUHKLSA-N 305.418 2.994 0 40 DFAB CN1C(=O)CCC12CCC(NC(=O)CCc1ccccc1)CC2 96228532 WLHBPQJIDJXKGW-UHFFFAOYSA-N 314.429 2.669 0 40 DFAB Cc1csc([C@H](C)NC(=O)CCc2ccc(C(=O)O)cc2)n1 96479802 UXCFKPACKCRAIW-NSHDSACASA-N 318.398 2.960 0 40 DFAB CN(C[C@@H]1CCCCO1)C1CCN(C(=O)OC(C)(C)C)CC1 96445678 RKRGSIZSSBYKBZ-HNNXBMFYSA-N 312.454 2.887 0 40 DFAB Cn1c(CCCNC(=O)CC[C@@H]2CCCO2)nc2ccccc21 96411674 ADHITKDSUKFBHV-AWEZNQCLSA-N 315.417 2.581 0 40 DFAB COC[C@@]12CCC[C@@H]1CN(C(=O)Cc1ccc(F)cc1OC)C2 96109154 CEFOXGONIVBKSC-KDOFPFPSSA-N 321.392 2.652 0 40 DFAB Cc1cccc(N2CCC(N[C@@H]3CN(C(C)C)C[C@@H]3C)CC2)n1 95422611 IIWXNRHDSOHGAU-MAUKXSAKSA-N 316.493 2.677 0 40 DFAB COc1ccc(/C=C/C(=O)Nc2nn(C)c3ncccc23)cc1 96194555 RDOIBJXGYPJUNQ-JXMROGBWSA-N 308.341 2.629 0 40 DFAB C[C@H](CNC(=O)Nc1cnn(C)c1)Oc1ccccc1Cl 96433872 WYLZWJWKFKXZHN-SNVBAGLBSA-N 308.769 2.663 0 40 DFAB COC[C@@]12CCO[C@@H]1CCN(C(=O)c1ccc(C)c(C)c1)C2 96110323 AICQJCYBDSVATL-AEFFLSMTSA-N 303.402 2.571 0 40 DFAB Cc1ccc(CN2Cc3cncn3[C@H](CN3CCCCC3)C2)o1 248056424 CCEUEASDYWBSLA-QGZVFWFLSA-N 314.433 2.827 0 40 DFAB N[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242437308 BXWFWHOCVJPUJP-RRFJBIMHSA-N 307.802 2.607 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2N1 257339354 ZBIPHTZCFRIKQW-JPVZDGGYSA-N 314.385 2.538 0 40 DFAB Cc1cc(N)cc([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257317032 VIBUWPQXIARMIU-INIZCTEOSA-N 318.808 2.594 0 40 DFAB Cc1nccc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 257284337 PCGOLAQPNQCSKM-INIZCTEOSA-N 310.401 2.519 0 40 DFAB C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C[C@H]1n1ccnc1 268410344 YIMDDGIWDBVRMQ-BXUZGUMPSA-N 304.781 2.655 0 40 DFAB O=C(NCc1cccnc1)c1ccc(N2CCCCCC2)nc1 29738617 ATMJQMHCGXDVEX-UHFFFAOYSA-N 310.401 2.787 0 40 DFAB CC(C)NC(=O)CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401310 ASSVXCBUFJJXFD-QGZVFWFLSA-N 324.852 2.610 0 40 DFAB Cc1noc(C2CN(C(=O)C3(c4cccs4)CCCC3)C2)n1 49482283 JTHHFOHNOBODCZ-UHFFFAOYSA-N 317.414 2.877 0 40 DFAB CN(C)CC1CCC(NC(=O)NC2Cc3ccccc3C2)CC1 97140379 FIDIPHKJDQPAMP-UHFFFAOYSA-N 315.461 2.573 0 40 DFAB Cc1nnc([C@H](C)OC(=O)c2c[nH]nc2-c2ccc(F)cc2)o1 97147486 SIZLFZFHYUJQMC-QMMMGPOBSA-N 316.292 2.825 0 40 DFAB CO[C@@H]1CCN(Cc2cncn2C)C[C@H]1Cc1ccccc1F 1615143333 MVJBEXIKHIXQKS-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB Fc1cnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 1775971432 OFAIRVHUJNVJJC-UHFFFAOYSA-N 309.348 2.904 0 40 DFAB CCOC(=O)CNC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 5181131 PFWGQQSIJBNTDY-UHFFFAOYSA-N 308.422 2.550 0 40 DFAB Cc1cc(C)cc(OCC(=O)Nc2ccc(CC(=O)O)cc2)c1 13439713 JBFXZPMYLZQRJK-UHFFFAOYSA-N 313.353 2.948 0 40 DFAB CCOC(=O)Nc1ccccc1C(=O)Nc1c(C)n[nH]c1C 14404793 QRSOZDHFMOPVGL-UHFFFAOYSA-N 302.334 2.847 0 40 DFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 16739457 KKFOLMRJEYQFJU-UXLLHSPISA-N 319.445 2.997 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 19290550 OEFZERWRIUPKBK-MRXNPFEDSA-N 320.396 2.988 0 40 DFAB CC[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937562 YSIBUUVHZOTASL-JTQLQIEISA-N 319.792 2.548 0 40 DFAB Cc1ccc(C)c2sc(N3CCN(C(=O)C4CC4)CC3)nc12 4583535 FIIFJUKWECSLEY-UHFFFAOYSA-N 315.442 2.972 0 40 DFAB CO[C@H]1CCCN(Cc2cncn2C)[C@H]1Cc1cccc(F)c1 643913845 JJTHCKMMFVQTEP-ROUUACIJSA-N 317.408 2.781 0 40 DFAB CCNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 5090109 HEEVGTQXNJECJP-UHFFFAOYSA-N 324.450 2.553 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(c3ncc(F)cn3)C2)n1 1888843505 GJRDDOVAMAINHC-CYBMUJFWSA-N 302.353 2.615 0 40 DFAB COc1ccc(OCCN(C)C(=O)c2cc(C)ccc2O)cc1 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C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 12417476 IJQYMAVJTWBNDZ-HZSPNIEDSA-N 318.392 2.683 0 40 DFAB O=C(Nc1cccc2ncccc12)c1cc2c([nH]c1=O)CCC2 61718433 HOBRJBXWFWBLCC-UHFFFAOYSA-N 305.337 2.664 0 40 DFAB O=C(Nc1cc(Cl)ccc1Cl)c1nc2ncccn2n1 923971 CYTRPOBYSAGPBF-UHFFFAOYSA-N 308.128 2.683 0 40 DFAB CN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 1320299 UPAOFNIKAUXDDD-KRWDZBQOSA-N 315.756 2.777 0 40 DFAB C[C@@](O)(CNC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccco1 78941462 FFQHJGIABYSVOX-WMLDXEAASA-N 318.348 2.613 0 40 DFAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccnn1C(C)C 23416023 GNBIWXUOBHPGIW-LBPRGKRZSA-N 302.378 2.912 0 40 DFAB Fc1cc2ncc(N(C[C@@H]3CCOC3)C3CC3)nc2cc1F 97145518 SRZUEQQYCPZNCH-JTQLQIEISA-N 305.328 2.913 0 40 DFAB C[C@H](NC(=O)Nc1nncs1)c1ccc2c(c1)OCCCO2 43129204 DXKXWFOQFCZNRU-VIFPVBQESA-N 320.374 2.582 0 40 DFAB COc1ccc(CNC(=O)COc2cccc3cccnc23)cc1 6128020 YJGSMEHSHAJKCG-UHFFFAOYSA-N 322.364 2.939 0 40 DFAB COc1cc(C(=O)Nc2cc(-c3cccc(F)c3F)n[nH]2)on1 97109262 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CCOc1nc(C)ccc1C(=O)N1CCOCC12CCCCC2 576482636 GBUOWLJYBJMKQL-UHFFFAOYSA-N 318.417 2.964 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 85876316 HGCPNNGGJIEBQU-CYBMUJFWSA-N 306.321 2.673 0 40 DFAB biogenic Cc1cccc2ncnc(N3CCC[C@H](C(=O)NCC4CC4)C3)c12 80772812 SCNRBYQIOMCNAD-HNNXBMFYSA-N 324.428 2.681 0 40 DFAB O=C(Nc1ccccn1)c1ccnc(O[C@H]2CCSC2)c1 225721185 AHXGSGHPMGWAMT-LBPRGKRZSA-N 301.371 2.613 0 40 DFAB Cc1ccc(CNc2ncnc3c2cnn3C2CCNCC2)cc1 228931907 JFNXMRLZONOLPZ-UHFFFAOYSA-N 322.416 2.671 0 40 DFAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccccc2)COC1 96112595 JSKVNTMRCPKYHS-HNNXBMFYSA-N 321.380 2.846 0 40 DFAB biogenic,in-vitro CC/C=C(\C)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 96419190 NONNZXJIXGVYHM-AWNIVKPZSA-N 322.430 2.830 0 40 DFAB C[C@@H]1CCN(S(=O)(=O)c2cccnc2)[C@H](c2ccco2)C1 96436459 BQYBYBDEZLLMFZ-OCCSQVGLSA-N 306.387 2.837 0 40 DFAB Cc1nc(CCNC(=O)NC2(C)Cc3ccccc3C2)cs1 92164483 DYTZBIZRXLKGOJ-UHFFFAOYSA-N 315.442 2.851 0 40 DFAB CC(C)n1nnc(-c2ccc(C(=O)Nc3ccccn3)cc2)n1 96231032 JTRSUXSKYRSWIN-UHFFFAOYSA-N 308.345 2.568 0 40 DFAB CC(C)N(CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1CC1 97234418 RMCCILCSCLXRMZ-MRXNPFEDSA-N 319.453 2.519 0 40 DFAB C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)[C@H]1CN(C)CCO1 96484930 XIBCWWVMSVWNPJ-QMTHXVAHSA-N 320.330 2.653 0 40 DFAB Cc1c(C(=O)OC[C@@H]2CCCN2C(N)=O)sc2ccccc12 96442161 RKWIZUQUCJSKRV-NSHDSACASA-N 318.398 2.910 0 40 DFAB CC(C)(C)C(=O)N1CCC(N[C@H](CCO)C2CCCCC2)CC1 96486249 FWKSYQMUBFVEIG-QGZVFWFLSA-N 324.509 2.944 0 40 DFAB O=C(NCc1ccco1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96117255 XALQQLLQNJFMRB-UHFFFAOYSA-N 309.325 2.535 0 40 DFAB CNC(=O)c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1 96441741 OPSXSOHHSZBYTR-SFHVURJKSA-N 310.397 2.620 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](Oc2ccccc2)C1 97212497 DRFJCHISAXQZJK-AWEZNQCLSA-N 311.385 2.582 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3nccs3)C2)cc1 96192581 YNKJXCAEEZCUBW-HNNXBMFYSA-N 317.370 2.674 0 40 DFAB CCc1sc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1C 97104518 QQDPZMADRRAUDO-WDMOLILDSA-N 317.476 2.777 0 40 DFAB COCCS(=O)(=O)N(C)c1ccccc1-c1ccccc1 96414226 MTOAKJXRCNOQAZ-UHFFFAOYSA-N 305.399 2.766 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1ccc(F)cc1Cl)CC2 257300712 RVKZOMWQVKPURH-HNNXBMFYSA-N 313.800 2.985 0 40 DFAB Cn1cc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1 257241521 HYHWUCBIXUGGHP-CQSZACIVSA-N 309.417 2.751 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257215885 CSBCFYQIRLSAMO-GFCCVEGCSA-N 301.394 2.716 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)no1 257292398 QLHCPAGMXHSOFQ-ZDUSSCGKSA-N 316.405 2.754 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1ccc3cc[nH]c3c1)CC2 257303167 SGAQPMDUEUMGCJ-KRWDZBQOSA-N 300.402 2.674 0 40 DFAB Cc1ccnc([C@H]2CCN(CCOc3ccc(F)cc3)C2)n1 257231090 GFEQCIXGMHBSQQ-AWEZNQCLSA-N 301.365 2.792 0 40 DFAB Nc1cc(CC[C@@H]2CN(Cc3ccccc3F)CCO2)ccn1 257276830 NVIKVGSTYYXDMZ-MRXNPFEDSA-N 315.392 2.637 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](Cc2ccn[nH]2)C1 257327436 XBJNBSIKMYELST-AWEZNQCLSA-N 309.413 2.993 0 40 DFAB CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Cl 96096230 GBIAQYIZCMSMFZ-LBPRGKRZSA-N 312.797 2.994 0 40 DFAB N#Cc1cccc(C(=O)NCc2ccnc(-c3ccncc3)c2)c1 390826412 KJEOULKNDNVLRY-UHFFFAOYSA-N 314.348 2.945 0 40 DFAB CCCN1CCc2oc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2C1 585112976 XKXJRWWOTRIXBB-BETUJISGSA-N 305.422 2.561 0 40 DFAB COc1ccccc1N1CCN(Cc2csc(C)n2)CC1 72543667 QLDDVBFFXXFGSM-UHFFFAOYSA-N 303.431 2.782 0 40 DFAB C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NCCn1cccn1 249370422 OYVUDLMUYIYRLX-DZFIZOCASA-N 312.461 2.629 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)SCC[C@@H]2C(=O)O 91303135 CGSCROSVNZFDMC-SNVBAGLBSA-N 301.408 2.594 0 40 DFAB CC(C)[C@@H](COC(F)(F)F)N1C(=O)c2ccccc2C1=O 96308449 UXZJXYBJVFHSHK-LLVKDONJSA-N 301.264 2.844 0 40 DFAB C[C@@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 12114603 SBRHCIVKXSWXJN-OAHLLOKOSA-N 310.397 2.695 0 40 DFAB Cc1nc2cc([C@H]3CCCN3C(=O)C(C)(C)C)nn2c(O)c1C 12336954 ZUYVJZKMSRKHDW-CYBMUJFWSA-N 316.405 2.761 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1csc(-c2ccccc2)n1 151046851 JWLWBQRFMSZUPV-OAHLLOKOSA-N 322.455 2.654 0 40 DFAB CC(C)Cc1cc(CNC(=O)[C@H](C)n2cc(Cl)cn2)on1 19447499 FYOAMTSSRRAWGO-JTQLQIEISA-N 310.785 2.600 0 40 DFAB CC(C)c1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 6127256 KLYVNTKFVPJIQG-UHFFFAOYSA-N 312.369 2.926 0 40 DFAB Clc1ccc2oc(N3CCN(c4cnsn4)CC3)nc2c1 1889175258 WPCOWHKWWYEUTL-UHFFFAOYSA-N 321.793 2.659 0 40 DFAB CC(C)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840227 JMTDVYRRCZZLAX-GOSISDBHSA-N 320.408 2.822 0 40 DFAB CCOc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1 33578 ZZKPVPDEMLBIQQ-MSUUIHNZSA-N 320.414 2.684 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)o1 2055834956 JPEOTGZLLIJOJY-CRAIPNDOSA-N 319.401 2.778 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@H](OCCO)c1cccs1 575620249 JHMGLRTZEBGJSW-HVHJFMEUSA-N 317.410 2.628 0 40 DFAB CS(=O)(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1ccccc1 11692702 DFCORIREIDIFRU-MRXNPFEDSA-N 316.382 2.503 0 40 DFAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nnn[nH]3)cc2C1 40119673 BQEIFHLWCFBBIY-SECBINFHSA-N 305.407 2.665 0 40 DFAB CN(Cc1ccco1)C(=O)c1cccc(N2CCOC2=O)c1 40544192 CVEDBKCKVIVALB-UHFFFAOYSA-N 300.314 2.508 0 40 DFAB Cc1ccoc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 32293825 YAEQURQSHZCRRJ-UHFFFAOYSA-N 314.263 2.854 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ncnc2ccccc12 102169071 NUWOTKGLWCBUMB-VNHYZAJKSA-N 313.401 2.950 0 40 DFAB O=C(Nc1ccc(F)cc1)c1nc(-n2ccnc2)ncc1Cl 41157755 FUKBCHKJVMOYGZ-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 32819409 UTNYBFZCIULIHS-ROUUACIJSA-N 324.424 2.657 0 40 DFAB C[C@@H](NC(=O)c1nn2cccnc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102598700 QJKFDLJBQLZEKD-NOOOWODRSA-N 318.808 2.937 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1O 32995809 IFDIGOGPFJHSIR-NSHDSACASA-N 319.744 2.615 0 40 DFAB C[C@H]1Oc2ccc(Nc3nccc(C(F)(F)F)n3)cc2NC1=O 32908946 VXGRZSFAXFBLQJ-SSDOTTSWSA-N 324.262 2.958 0 40 DFAB NC(=O)CN(C(=O)/C=C/c1ccccc1Cl)C1CCCC1 47236181 AYQXDZANZDTWDW-MDZDMXLPSA-N 306.793 2.610 0 40 DFAB O=C(Nc1ccccc1C(F)(F)F)N[C@H](CCO)C1CC1 97599098 RXRRNXGKDODSLL-LLVKDONJSA-N 302.296 2.988 0 40 DFAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCOCC1 811840 FQDPURZQDJJLRZ-UHFFFAOYSA-N 313.401 2.589 0 40 DFAB Fc1cnc(N2CCOCC2)nc1Nc1ccccc1Cl 870138 NPNWCRZFLKCNCR-UHFFFAOYSA-N 308.744 2.849 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1 3899075 DCASHLNTJZUDDR-FQPOAREZSA-N 318.170 2.761 0 40 DFAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CC1 4275388 MFAZGMJAAYOCDS-UHFFFAOYSA-N 302.355 2.930 0 40 DFAB Cc1ccc(C(=O)OCc2noc(-c3cccs3)n2)cn1 24131611 LPOAPNYDGJLLFM-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB CCOCc1cn(CC(=O)c2ccc(CC)cc2)c(C)nc1=N 4906874 XSDIPTBPMMDRDW-UHFFFAOYSA-N 313.401 2.653 0 40 DFAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2n1 7770713 NQLATLNGOYMVSV-UHFFFAOYSA-N 305.337 2.894 0 40 DFAB O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1F 12528176 SQODMXVWHVOWBM-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)C 8388694 IEXFAPIATLOCEH-QGZVFWFLSA-N 317.433 2.776 0 40 DFAB O=C1COc2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2N1 25134601 XAHABGRAQGWNKL-OAHLLOKOSA-N 322.364 2.825 0 40 DFAB Cc1ccsc1C(=O)OCC(=O)N1CCc2ccccc2C1 3257319 MXPIWHHBZZVFGF-UHFFFAOYSA-N 315.394 2.798 0 40 DFAB CC1(C)C[C@@H](NC(=O)CCn2cccn2)c2ccc(F)cc2O1 95423971 YOLMXXUJXFPOME-CQSZACIVSA-N 317.364 2.831 0 40 DFAB CCC(CC)(CNC(=O)NCCOc1ccccc1C)N(C)C 58162110 PLQSKWPOBAKGCT-UHFFFAOYSA-N 321.465 2.793 0 40 DFAB CC(C)Oc1ccc(NC(=O)c2ccn(C)c(=O)c2)c(F)c1 52020798 UAZPRCRQTGYJLG-UHFFFAOYSA-N 304.321 2.564 0 40 DFAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101996246 BGTZSQTUUKHIRD-OPXMUZRWSA-N 303.745 2.747 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2c(c1)OCO2 48262815 WAFBURFIMVLEJQ-SNVBAGLBSA-N 311.765 2.567 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1C(F)(F)F 58243986 PCPVBVLXHYBSDZ-UHFFFAOYSA-N 319.308 2.548 0 40 DFAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cnn1C 58392962 MFAYMDCGWFTDEJ-JKSUJKDBSA-N 317.364 2.518 0 40 DFAB CC1=C(C)[C@H](NCc2cccs2)N(C[C@H]2CCCO2)C1=O 20123885 XEOHMZKFXGOQLG-UKRRQHHQSA-N 306.431 2.521 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C)[nH]c2=O)n1 72273849 NRIBKOPTNUOLIK-CYBMUJFWSA-N 317.414 2.816 0 40 DFAB CCCN(CCC)Cc1nc(O)c2ccc(C(=O)OC)cc2n1 36753904 JANBLSXJQPVMQT-UHFFFAOYSA-N 317.389 2.744 0 40 DFAB C[C@H](CNC(=O)CC[C@H]1CCCO1)N1CCc2sccc2C1 46243591 KPQSAEQTDFCMKY-UKRRQHHQSA-N 322.474 2.570 0 40 DFAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(F)cc3)n2)cc1 12062662 OTAAKIOQNIFZAY-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB COc1ccc(CNC[C@H](c2cccs2)N(C)C)cc1O 22928353 WNTDWOVGQBFZQF-CYBMUJFWSA-N 306.431 2.855 0 40 DFAB COc1ccccc1/C=C/C(=O)NCCCN1CCC[C@@H](C)C1 46959919 ZPGWJRZRLHZQAV-SIFUEBAJSA-N 316.445 2.947 0 40 DFAB O=S(=O)(Nc1nccs1)c1cccc(Br)c1 37387070 SOZNJHAHJXWSNF-UHFFFAOYSA-N 319.205 2.706 0 40 DFAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccco2)cc1C 22540578 CNMLSGRONRTDRC-CQSZACIVSA-N 314.385 2.698 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)Nc2ccncc2F)cc1 97135862 YOGDNSSFAXSKHF-UHFFFAOYSA-N 316.336 2.543 0 40 DFAB Cc1csc(CCNCc2cn(C)nc2-c2cccnc2)n1 97159885 CTLWSXWHPCROAQ-UHFFFAOYSA-N 313.430 2.579 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2noc(-c3ccoc3)n2)c(C)c1 96004202 FJSLCOXUTZFWNK-UHFFFAOYSA-N 319.342 2.747 0 40 DFAB CC(C)(C)c1ccc(C(=O)Nc2cnc3cc[nH]n3c2=O)cc1 408612797 YTVHUXBDNMCXLZ-UHFFFAOYSA-N 310.357 2.572 0 40 DFAB Cc1ccc(CNC(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 13943283 SHYXZAAHNMBRCD-XNRPHZJLSA-N 320.433 2.925 0 40 DFAB C[C@@]1(C(=O)Oc2ccc(C=O)cc2)Cc2ccccc2C(=O)O1 5235386 FPBNZZMKAAVQQO-SFHVURJKSA-N 310.305 2.576 0 40 DFAB COc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1OC 4476258 AEQZMHADGJUEEE-UHFFFAOYSA-N 320.433 2.743 0 40 DFAB NC(=O)c1cc(NC(=O)Cc2ccc3ccccc3c2)ccn1 65537430 TZRRLKITHWIOFL-UHFFFAOYSA-N 305.337 2.515 0 40 DFAB CN(CCOc1ccccc1Cl)c1ncnc2c1cnn2C 14158300 MXRQCKHJNLNTLZ-UHFFFAOYSA-N 317.780 2.532 0 40 DFAB O=C(NCc1cccc(F)c1)c1ccc(-c2ccco2)[nH]c1=O 65724446 FICWXZSLFUBSEG-UHFFFAOYSA-N 312.300 2.704 0 40 DFAB O=C([C@@H]1CCCO1)N(Cc1ccccc1)C[C@H](O)c1ccco1 84369127 YBPOXEVAGZYKPL-RDJZCZTQSA-N 315.369 2.521 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Cl 14373196 BWPWKOYCMZNVRY-UHFFFAOYSA-N 313.744 2.689 0 40 DFAB O=C1COc2ccc(-c3csc(N4CCCC4)n3)cc2N1 6541194 YACQKMYREXSLAF-UHFFFAOYSA-N 301.371 2.741 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccn1)C1CC1 6676359 HICWDGZZHZBUFU-UHFFFAOYSA-N 310.353 2.544 0 40 DFAB COc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 9484571 RJQMVKAZZNDTOC-MRXNPFEDSA-N 314.385 2.855 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@H]2CCCc3cc(F)ccc32)c[nH]1 96487698 FEKGHZMLQLLHDQ-HNNXBMFYSA-N 300.333 2.630 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1N[C@@H]1CCN(c2ccc(F)cc2F)C1 96493391 FHLGBJCSTPTNJW-KFZJALRRSA-N 322.399 2.947 0 40 DFAB C[C@@H](NC(=O)[C@@H](C)n1ccnc1-c1ccccc1)c1cnn(C)c1 96486805 MBLFIKKQOVGFKV-ZIAGYGMSSA-N 323.400 2.722 0 40 DFAB COc1ccsc1C(=O)NCc1noc(-c2ccsc2)n1 95381536 WYQMDIZPTUDFSE-UHFFFAOYSA-N 321.383 2.798 0 40 DFAB CCc1cc(NCCCc2nc(C)no2)nc(-c2ccncc2)n1 68699463 DUZZQUUPVKCFQU-UHFFFAOYSA-N 324.388 2.837 0 40 DFAB COCCCCNC(=O)c1c[nH]cc1-c1ccccc1OC 71853773 QTJCWUUKLLVHCZ-UHFFFAOYSA-N 302.374 2.847 0 40 DFAB CCOCCN1CCN(CCCOc2ccc(F)cc2)C[C@@H]1C 70018424 WFOAPRBHBILCGK-INIZCTEOSA-N 324.440 2.637 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H]1CO 69615823 JMCCAVXUHFSRJI-LLVKDONJSA-N 310.423 2.574 0 40 DFAB CC[C@@H](C)N(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 95351037 YCWXCLKTFSAAHC-GFCCVEGCSA-N 324.421 2.771 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)c2[nH]ncc2c1 69928111 SSWSGYOBIDQIHV-HNNXBMFYSA-N 323.400 2.854 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2cccc3ncccc23)cc1 8768518 GXOWBGAAJMEFKL-UHFFFAOYSA-N 320.348 2.951 0 40 DFAB O=C(CCc1ccncc1)NCc1cccnc1N1CCCCC1 70840626 MRRXGJWATJAZBK-UHFFFAOYSA-N 324.428 2.716 0 40 DFAB Cc1cccc(COC(=O)c2ccc(C(=O)NC3CC3)cc2)n1 95441510 HODRHJNOTZUXSS-UHFFFAOYSA-N 310.353 2.639 0 40 DFAB CC(C)[C@H](Nc1ccc2nccnc2n1)c1nnc2ccccn12 95415041 FUJZLHZJBIWMCI-HNNXBMFYSA-N 319.372 2.877 0 40 DFAB O=C(NCC1CC1)C1(NCc2ccncc2Cl)CCCC1 85937407 XLXWKQNKVHIDTP-UHFFFAOYSA-N 307.825 2.664 0 40 DFAB C[C@H](CNC(=O)N1CCc2ccccc2C1)CC1(C)OCCO1 89895169 UMMGTAUAVISQFR-AWEZNQCLSA-N 318.417 2.544 0 40 DFAB FC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1 89884682 VWXCFIHGIJNOBZ-UHFFFAOYSA-N 303.328 2.590 0 40 DFAB O=C(c1ccccc1OCC1CC1)N1CC[C@@]2(CCOC2)C1 89809647 SAPPKSDXDUMKJT-GOSISDBHSA-N 301.386 2.728 0 40 DFAB COC(=O)COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 409110529 DNACMYFTWIKLOR-GDNBJRDFSA-N 309.321 2.731 0 40 DFAB CCCc1nnc2sc(-c3cccc(NC(C)=O)c3)nn12 20609653 ZIYJMQRVQQOZAT-UHFFFAOYSA-N 301.375 2.764 0 40 DFAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C)CC1 30755581 CJIFALBGMHHRIW-GOSISDBHSA-N 312.413 2.771 0 40 DFAB O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)N1CCC[C@@H]1CO 74893864 PYJIIWNRJBKPOO-IUODEOHRSA-N 310.344 2.582 0 40 DFAB COc1ccc2c(c1)CCCN(C(=O)c1nc(C)oc1C)C2 561072632 HIUQSFXPZGCNKN-UHFFFAOYSA-N 300.358 2.889 0 40 DFAB Cn1ncc(N2CC[C@H](Cc3ccccc3)C2)c(Cl)c1=O 78335134 SPLCBFKDODESQG-CYBMUJFWSA-N 303.793 2.503 0 40 DFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 74928424 HYUKSOYSGKISKS-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 38982413 BXWHQOMQWYOYHJ-UHFFFAOYSA-N 302.337 2.825 0 40 DFAB FC(F)(F)c1cccc(-c2nsc(N3CCNCC3)n2)c1 216643059 IPRJJGIGKQMHSC-UHFFFAOYSA-N 314.336 2.634 0 40 DFAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1C 225281134 RIGXFWFEMDWPLQ-AWEZNQCLSA-N 313.353 2.573 0 40 DFAB Fc1ccc([C@H]2OCC[C@@H]2NCc2noc(C3CC3)n2)cc1F 192133415 ZOIOJVDSZDBOEX-DZGCQCFKSA-N 321.327 2.845 0 40 DFAB COCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C)n1 225883230 YFYKNWUTFOVDKG-QGZVFWFLSA-N 324.421 2.805 0 40 DFAB COc1cccc(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)n1 191531356 LLSBYZFVNZFYBP-AWEZNQCLSA-N 324.340 2.762 0 40 DFAB Cc1noc(C2CN(C(=O)NCc3cccc4ccccc34)C2)n1 49482705 QUSJCDXDKFXMIN-UHFFFAOYSA-N 322.368 2.840 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@H]2CN3CCC[C@H]3CO2)n1 225570523 SESABZQAOJDMBI-NWDGAFQWSA-N 324.446 2.520 0 40 DFAB CO[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccco1 225653526 QGRZFFKEKNWAJZ-AWEZNQCLSA-N 302.286 2.645 0 40 DFAB O=C(Cc1cccc(O)c1)NCCCOc1ccccc1F 69741936 CWEQFMYRBWFTJK-UHFFFAOYSA-N 303.333 2.659 0 40 DFAB CN1C(=O)[C@@](C)(C(=O)N2CCCCC2)Sc2ccccc21 40774647 VYBXJDNXMOGUKB-INIZCTEOSA-N 304.415 2.526 0 40 DFAB Cc1cnc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1 80507078 JYEZJUYTMGTVOY-UHFFFAOYSA-N 316.308 2.533 0 40 DFAB O=C(NCc1csc(CCc2ccccc2)n1)c1cc[nH]n1 81933911 JUHHRXWHJPAURT-UHFFFAOYSA-N 312.398 2.581 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@H]2C2CCC2)o1 582356917 YQDACRCNAIJXIT-ZNMIVQPWSA-N 304.390 2.860 0 40 DFAB COc1cccc2c(N3CCC[C@H](NC(C)=O)C3)c(C)cnc12 195576699 BVKAWXWOGQZETA-AWEZNQCLSA-N 313.401 2.657 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@H](C)c1cncnc1 330279006 QJLVESKSYKCRJG-CYBMUJFWSA-N 311.385 2.958 0 40 DFAB Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)c1 96055131 PZTLUQLXWROFCY-YJBOKZPZSA-N 316.376 2.756 0 40 DFAB c1cnc(N2CCC3(CCOC[C@H]3COCC3CC3)CC2)nc1 96106465 VRGSTVBLBFQFPG-INIZCTEOSA-N 317.433 2.526 0 40 DFAB C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 96452273 MVOYAKYNZMNOSX-MNOVXSKESA-N 310.369 2.895 0 40 DFAB Cc1ccc(NC(=O)NC[C@@H]2CCOC2)cc1OCC(F)F 96403321 INCDJUDCQORDSR-NSHDSACASA-N 314.332 2.797 0 40 DFAB CN(C)[C@@H](CNC(=O)c1ccncc1F)c1ccc(Cl)cc1 96445608 RENSXBHMMYKCQR-HNNXBMFYSA-N 321.783 2.907 0 40 DFAB CC1(C)C[C@H](NCc2ccnc(O[C@H]3CCOC3)c2)C(C)(C)O1 90954775 RTJLLBSTHLNLKD-GJZGRUSLSA-N 320.433 2.685 0 40 DFAB CCOC(=O)N1CCC(N[C@H](c2ccccn2)C(C)C)CC1 96494297 HTJVEOFZSBWUTP-INIZCTEOSA-N 305.422 2.989 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)c2ccccc2)c1 96408252 QZTJYGKTTBNKCJ-JOCHJYFZSA-N 317.410 2.834 0 40 DFAB O=C(NCc1nccc(N2CCCC2)n1)c1ccccc1Cl 96120749 ZVNROPMZUGYITF-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB Cc1cn2c(=O)c(C(=O)Nc3cccc4[nH]ccc34)cnc2s1 95479007 NYXGZEXIQTVSEB-UHFFFAOYSA-N 324.365 2.798 0 40 DFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccs3)C2)c1F 253472289 LFOQQBZTJAINDL-SNVBAGLBSA-N 321.377 2.533 0 40 DFAB c1ccc(-c2ncc(CN3CC[C@H](c4ccn[nH]4)C3)cn2)cc1 257227754 FQSSEGKQPSYMOK-INIZCTEOSA-N 305.385 2.856 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC(c4cnccn4)CC3)cc2[nH]1 257265947 MAZOVOMAINQKBD-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB Cc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1 257341362 ZKADMOFKQJZSHS-LBPRGKRZSA-N 317.414 2.671 0 40 DFAB COC1CCN(c2ccc(C(=O)NCc3ccco3)cc2)CC1 252484463 FXALHQXBLNRRIX-UHFFFAOYSA-N 314.385 2.825 0 40 DFAB Cc1csc(CCCC(=O)NCc2cccnc2N(C)C)n1 252494561 NYQRVDVZMWZDBD-UHFFFAOYSA-N 318.446 2.552 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2cnc(C)n2C)n1 257270067 MSQUNBPVUCYALC-OAHLLOKOSA-N 313.405 2.567 0 40 DFAB O=C(CCC1CCCC1)N1CCC[C@@H](c2ccnc(O)n2)C1 257263700 LRBUABGPLDUTCN-CQSZACIVSA-N 303.406 2.859 0 40 DFAB Cn1cc(C(=O)Nc2cccc3c2OCO3)c(-c2ccoc2)n1 448341025 ZUKABNUNFQPDTH-UHFFFAOYSA-N 311.297 2.661 0 40 DFAB CCc1cc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)on1 585278973 JPQWUNIVILGUCK-KDOFPFPSSA-N 318.392 2.802 0 40 DFAB NC(=O)[C@H](NCc1cccc(OCC(F)F)c1)c1ccccc1 65575723 LTRABASAMIUOSZ-MRXNPFEDSA-N 320.339 2.647 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O 37448365 FYXLXGFSMIYRIC-IMTBSYHQSA-N 307.177 2.561 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc2nc(C)c(C)nc2c1 53438608 OSAJSFFGWLVJAU-HNNXBMFYSA-N 313.401 2.888 0 40 DFAB CC(C)[C@@H](C)N(C(=O)c1cccc(N2CCNC2=O)c1)C1CC1 58262574 JGVKTAHMOCVIRR-CYBMUJFWSA-N 315.417 2.865 0 40 DFAB Cc1ccc(-c2cnc(CNC(=O)N3CCO[C@@H](C)C3)o2)cc1 76470291 LNZSXVFVIWGZQP-ZDUSSCGKSA-N 315.373 2.580 0 40 DFAB Cc1cnc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cn1 74445735 RYLUUWHXFKOSTE-KRWDZBQOSA-N 324.428 2.522 0 40 DFAB CCc1ccccc1NC(=O)CCOc1ccccc1C(N)=O 75105074 BXAGTZQQXUUIMQ-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(=O)[nH]1 75120967 ORNVGTGQFZZOCX-GHMZBOCLSA-N 302.296 2.534 0 40 DFAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1ncon1 552481744 NAPCSIQTQQWYMW-OAHLLOKOSA-N 308.341 2.838 0 40 DFAB OC[C@@]1(Cc2cccc(F)c2)CN(C2CCCCC2)CCO1 1615143107 YKLCGDMBWRGWKD-GOSISDBHSA-N 307.409 2.764 0 40 DFAB C[C@@](CC(=O)Nc1ccc2cn[nH]c2c1)(C(=O)O)c1ccccc1 13253593 ZEFDVJPWOOLMPS-SFHVURJKSA-N 323.352 2.934 0 40 DFAB Cc1cc(O)nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19118127 CWAHLYXEOFTIIC-CQSZACIVSA-N 315.348 2.536 0 40 DFAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C1CCCC1 4941961 JBDRDCDTBHUJSP-UHFFFAOYSA-N 322.430 2.745 0 40 DFAB Cn1cc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)cn1 643914671 VRDHDZICTZYMQC-IRXDYDNUSA-N 319.836 2.642 0 40 DFAB Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C(=O)O)cs2)n1 559381283 XGXPKQSYBIJJAS-JTQLQIEISA-N 307.375 2.849 0 40 DFAB NC(=O)c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 5190714 QEXJMLMIMZAFQL-UHFFFAOYSA-N 301.733 2.666 0 40 DFAB COc1ccc(OC)c(CC(=O)NCc2ccccc2F)c1 5243921 JBBJUAMTMMVFMY-UHFFFAOYSA-N 303.333 2.702 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2C[C@H]2C)cc1 7132078 CWNQGEROJLCCNH-BXUZGUMPSA-N 303.358 2.807 0 40 DFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCCCC1 5314804 RMGDFQDNGHOEGT-UHFFFAOYSA-N 322.430 2.745 0 40 DFAB CN(C)[C@@H](CNC(=O)NCCc1ccccc1)c1ccsc1 22766930 OKRFKFAACUCOTA-INIZCTEOSA-N 317.458 2.893 0 40 DFAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](Oc2cccnn2)C1 225453705 JYWMAZUCKONGKC-CQSZACIVSA-N 323.352 2.906 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCCOCCn2cccn2)cc1 575619700 MJEUDRHIMXRKNZ-UHFFFAOYSA-N 315.417 2.627 0 40 DFAB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1cccnc1)C(=O)O 5258852 QWASCNVATZKQDE-ZFWWWQNUSA-N 321.421 2.669 0 40 DFAB COc1ccccc1/C=C1\SC(=O)N(CCCC(=O)O)C1=O 13778104 BGKUVYFJLAKDCH-XFXZXTDPSA-N 321.354 2.596 0 40 DFAB Cc1nc2ccccc2nc1NCCCN1C[C@@H](C)O[C@H](C)C1 30003843 WIXUZFKAVRGTGL-ZIAGYGMSSA-N 314.433 2.849 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 50038968 ZGDGFBPMHBDSEV-UHFFFAOYSA-N 315.251 2.651 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 31566524 WEVVTVYEQIBTAE-MRXNPFEDSA-N 313.401 2.686 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCN(C)CC3)c2c(C)c1Cl 20588841 RLNKBLOJCSLTRG-UHFFFAOYSA-N 320.820 2.811 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)[C@H]1CCCO1 250916 WDSXTGDPLLZJLV-GXFFZTMASA-N 311.765 2.857 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(O)cc1 324865 QCGDFYJXDWDWBY-OAHLLOKOSA-N 301.298 2.691 0 40 DFAB biogenic O=S(=O)(Oc1ccccc1F)c1ccc2c(c1)OCCCO2 21325247 VFYFEUITQYLHCJ-UHFFFAOYSA-N 324.329 2.755 0 40 DFAB O=C(CN1CCCCCC1=O)Nc1nc2c(s1)CCCCC2 32885741 ZNNZRTPRRYFKFC-UHFFFAOYSA-N 321.446 2.753 0 40 DFAB CC(C)C(=O)N1CCC(NC(=O)c2c[nH]c3ccccc23)CC1 32937542 RNIYICGIRJERBV-UHFFFAOYSA-N 313.401 2.545 0 40 DFAB Cc1nn(-c2ccc(Br)cc2)c(C)c1CC(=O)O 22223483 JHXJBRBGFVINLU-UHFFFAOYSA-N 309.163 2.879 0 40 DFAB CCOC(=O)[C@H]1CCN(C(=O)OCC)C[C@H]1c1ccccc1 1857794341 INJJSINTERZHQT-GJZGRUSLSA-N 305.374 2.812 0 40 DFAB O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cccc2cn[nH]c12 97370224 NRFKHFBFIWDZIB-CQSZACIVSA-N 315.760 2.680 0 40 DFAB CN(C)CCn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 61635864 HVVXAFGNYWYYBG-UHFFFAOYSA-N 316.449 2.600 0 40 DFAB CC(C)C1=NN(C(=O)c2cccc(F)c2)[C@@](O)(C(F)(F)F)C1 794362 MEUWXSPKNMSOAH-ZDUSSCGKSA-N 318.270 2.935 0 40 DFAB NC(=O)CSc1ccccc1NCc1cn2ccccc2n1 78527358 XBHBYTDXZIQHLI-UHFFFAOYSA-N 312.398 2.524 0 40 DFAB c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1 1360754 HUWTXTNGUHYBHQ-UHFFFAOYSA-N 319.412 2.869 0 40 DFAB COc1ccc(-c2ccc(CNC(=O)N[C@@H](C)CO)cc2)cc1 78953318 HVFAEXHYZWMDNS-ZDUSSCGKSA-N 314.385 2.542 0 40 DFAB O=C(CN1CCCCCc2ccccc21)NC1CCOCC1 78950323 ANZCWRXPFNJCCJ-UHFFFAOYSA-N 302.418 2.515 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 3464157 SSASXTREGDOKPR-UHFFFAOYSA-N 315.325 2.895 0 40 DFAB COCCn1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cn1 47876299 MBIFJRHDFVAZBA-LBPRGKRZSA-N 320.368 2.894 0 40 DFAB CC(C)COC(=O)OCCOCCOC(=O)OCC(C)C 4721894 LUALIVRVZDKYLW-UHFFFAOYSA-N 306.355 2.621 0 40 DFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccccc1 71279662 ZNJOYKRNNSUTEH-CYBMUJFWSA-N 313.357 2.878 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccccn2)on1 43181410 DCPRODHQXSRRFC-TZMCWYRMSA-N 300.362 2.986 0 40 DFAB CCNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)s1 7246137 IPTDDJWXOVHPGS-JTQLQIEISA-N 322.459 2.939 0 40 DFAB CN(C)C(=O)NC1CC2(CCN(Cc3ccccc3)CC2)C1 108533219 NFECVFHQQJWVGI-UHFFFAOYSA-N 301.434 2.702 0 40 DFAB Cc1cc(Nc2ncnc3c2cnn3C)ccc1N1CCCC1=O 12595819 YPIAMZVAYXKKOD-UHFFFAOYSA-N 322.372 2.542 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 9234899 GSCWGGPBKGDOMA-HNNXBMFYSA-N 300.402 2.606 0 40 DFAB CN(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 1778431 BGUILKOLBPOILU-SFHVURJKSA-N 305.418 2.559 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](N[C@H](C(N)=O)c2ccccc2)C1 108357196 GHVHSASVRDVIQM-LZQZEXGQSA-N 323.440 2.638 0 40 DFAB COc1cc(SC)ccc1C(=O)OCC(=O)NC1CCCC1 3219367 ULZUQZOMLKUYJZ-UHFFFAOYSA-N 323.414 2.633 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](OCC(C)C)C2)C1 110680842 GBDFDXRCBSMFOU-HZSPNIEDSA-N 300.468 2.727 0 40 DFAB Cc1cc(C)n(C(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)n1 57352079 ZENMVKJJNYODKS-UHFFFAOYSA-N 310.361 2.667 0 40 DFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2)c1 28195949 VMNFELBKBGQZOP-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(Cl)c1 27549284 PTUSFPLHNJELSJ-UHFFFAOYSA-N 322.817 2.550 0 40 DFAB CS[C@@H](C)C(=O)N1CCCN(Cc2ccccc2F)CC1 58266178 QQVDFUCCMJWNMZ-ZDUSSCGKSA-N 310.438 2.612 0 40 DFAB CN(C)CCCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1 2108987 FRBNYQPMSBVKEJ-OAHLLOKOSA-N 322.449 2.879 0 40 DFAB biogenic CN(C)C1(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1 110516073 ZRCHVVUEFSLPRW-KKUMJFAQSA-N 309.523 2.904 0 40 DFAB CN(C)CCN(CCCc1ccccc1)C(=O)c1ccncc1 58307995 CSIVONIJDPNRKL-UHFFFAOYSA-N 311.429 2.718 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCn1ccnc1 27976967 VUDYBUYZVPLKQW-UHFFFAOYSA-N 323.400 2.506 0 40 DFAB Cc1nc(CNC(=O)Nc2cccnc2N2CCCC2)cs1 45343389 IFYVAURIZQWQNL-UHFFFAOYSA-N 317.418 2.768 0 40 DFAB C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(NC(=O)C2CC2)cc1 95984455 JADUTLHZMWBFIK-VUCTXSBTSA-N 302.418 2.989 0 40 DFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccccn2)c1 48325464 KBHXMWLTASZOGC-CYBMUJFWSA-N 311.385 2.540 0 40 DFAB O=C1OCC[C@H]1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 48354797 TYUWZPUILUHZIU-CYBMUJFWSA-N 320.776 2.976 0 40 DFAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1cccs1 3598798 YZYYBZUPFHTUCN-UHFFFAOYSA-N 315.350 2.550 0 40 DFAB CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 13170515 BFJXDMCPISIXIH-AWEZNQCLSA-N 305.374 2.802 0 40 DFAB CC(C)CO[C@@H](C)C(=O)NCc1ccc(Cn2ccnc2)cc1 49307864 VJLOAMQAMHNMLH-HNNXBMFYSA-N 315.417 2.609 0 40 DFAB CCOC(=O)c1cccnc1N1CCN(c2ccccc2)CC1 39216630 HAORDOLCQIXZHI-UHFFFAOYSA-N 311.385 2.585 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 65459334 UVMVAJFZJGUWBE-UHFFFAOYSA-N 322.817 2.919 0 40 DFAB CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1Cl 65577794 DRWBMEZGXXSKQD-LBPRGKRZSA-N 312.822 2.898 0 40 DFAB C[C@H](OC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1 5358011 SWVJQWARIJVOLP-VIFPVBQESA-N 300.339 2.903 0 40 DFAB O=C(c1cccc2ncccc12)N1CCC[C@H](n2cccn2)C1 65608440 YGKLIKGFYBCWFA-AWEZNQCLSA-N 306.369 2.909 0 40 DFAB Cc1cc(OCC(=O)Nc2ccccn2)c2c(C)cc(=O)oc2c1 6669352 XLTYNOASOXCAKC-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 4734693 NGQLJXWXOZWJSO-SFHVURJKSA-N 320.348 2.808 0 40 DFAB O=C(NCc1ccncc1)N1CC(Oc2ccccc2Cl)C1 95458428 AMZYNQHLABJIGV-UHFFFAOYSA-N 317.776 2.708 0 40 DFAB O=C(c1ccccc1-n1cccc1)N1N=CC[C@]1(O)C(F)(F)F 6829294 ZOYPYAOUDZABHC-AWEZNQCLSA-N 323.274 2.560 0 40 DFAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)c1cccc2c1OCCO2 67055294 GHJBNOXVVVRMHQ-RYUDHWBXSA-N 313.357 2.654 0 40 DFAB O=c1[nH]ncc(N2CCC(Cc3ccccc3)CC2)c1Cl 15111889 JWIQNWHEOLLLFQ-UHFFFAOYSA-N 303.793 2.882 0 40 DFAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)NC(C)(C)C 7189558 UWHPICODWSMVPD-SNVBAGLBSA-N 322.409 2.802 0 40 DFAB Cc1ccnc2c1NC(=O)CN2C(=O)C1CCC(F)(F)CC1 96494195 CYYODXALCIMXNO-UHFFFAOYSA-N 309.316 2.501 0 40 DFAB c1csc(-c2nnn(Cc3nc(-c4ccsc4)no3)n2)c1 7299988 NRRPHUAOVFZQNZ-UHFFFAOYSA-N 316.371 2.561 0 40 DFAB Cc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1C 7389709 JYRFQEVOUKKRGD-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB CCNC(=O)c1ccc(Sc2nc3ccccc3s2)nn1 95410478 DLOBPRCDHUUTCE-UHFFFAOYSA-N 316.411 2.987 0 40 DFAB COc1ccccc1CC(=O)N[C@H]1CCN(c2ccccc2)C1 71882835 XIRSAMLXUVAOAJ-INIZCTEOSA-N 310.397 2.633 0 40 DFAB C[C@H](NC(=O)[C@@H](C)SC(=S)N(C)C)c1ccc(F)cc1 7976163 QLABZVIUOLFPNH-VHSXEESVSA-N 314.451 2.971 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)c1occc1-c1ccccc1 95427407 TXKAEIAICIDCAG-SMDDNHRTSA-N 305.399 2.789 0 40 DFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 8074569 XSHDNJQSBSGHNG-KRWDZBQOSA-N 322.364 2.521 0 40 DFAB Cc1cnn(C[C@H]2CCCN2Cc2cn3ccsc3n2)c1 71875998 RDBLQZSOSNGNDK-CQSZACIVSA-N 301.419 2.565 0 40 DFAB NC(=O)c1csc(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1 71888345 GPRPENKTSHFDML-AWEZNQCLSA-N 318.373 2.867 0 40 DFAB CCOCc1nn(CC(C)C)cc1I 408716586 ONMLBNARRFMFCT-UHFFFAOYSA-N 308.163 2.680 0 40 DFAB CCc1nc(CC(=O)Nc2c(C)cnn2CC2CC2)cs1 69488813 DSRNCWJBJCUJBQ-UHFFFAOYSA-N 304.419 2.802 0 40 DFAB CCOC(=O)CN(Cc1ccccc1)C(=O)CC(F)(F)F 69520271 FPVQCBHMODWVIO-UHFFFAOYSA-N 303.280 2.531 0 40 DFAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc[nH]1 69559763 AFSGHXKWXXYCPE-LURJTMIESA-N 301.133 2.518 0 40 DFAB Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3ccc[nH]3)nc12 69568360 ZPRJKKLDQXCGMN-INIZCTEOSA-N 308.385 2.877 0 40 DFAB COCCCNC(=O)NCCc1coc(-c2ccc(C)cc2)n1 69631382 KRRWMHQOSSIUHY-UHFFFAOYSA-N 317.389 2.528 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 69665165 LKCRJJVGYFDJEI-MSOLQXFVSA-N 309.413 2.934 0 40 DFAB Cc1ccccc1CNC(=O)CCNC(=O)Nc1ccccc1 17797326 IWTGDLRJYGGSDU-UHFFFAOYSA-N 311.385 2.823 0 40 DFAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccncc1 69740299 DQFGCWUWBBMXEB-CVEARBPZSA-N 311.385 2.788 0 40 DFAB Cc1ccccc1[C@H]1CCN(C(=O)Cc2c(C)nn(C)c2C)C1 69771247 XIPMIFDCDIYSMI-INIZCTEOSA-N 311.429 2.904 0 40 DFAB O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 70874448 FMOSELHQVXLVIN-IAGOWNOFSA-N 303.402 2.766 0 40 DFAB C[C@@]1(NS(=O)(=O)CC[C@@H]2CCCO2)CCCc2ccccc21 95966100 PBNFELRDPATHNQ-DOTOQJQBSA-N 323.458 2.727 0 40 DFAB Cc1nccn1C[C@@H](C)CNC(=O)N1CCC(C(C)C)CC1 73951034 LQKFINJSXUCJKV-AWEZNQCLSA-N 306.454 2.905 0 40 DFAB CC(C)CCc1noc(CSc2ncnc3nc[nH]c23)n1 73966427 SEEIINOKJDWXOM-UHFFFAOYSA-N 304.379 2.617 0 40 DFAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2n1 96998788 RQGYXMROMUGOTG-BBRMVZONSA-N 320.396 2.702 0 40 DFAB O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccon1 97036047 NVYMXHXFEOIBFL-HNNXBMFYSA-N 324.336 2.501 0 40 DFAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1(O)CCC1 72292947 CTFYCIDWKAHLOX-SECBINFHSA-N 318.200 2.792 0 40 DFAB O=C(NCc1ccnc2ccccc12)[C@@H](C1CC1)N1CCCC1 97135322 KFZNBDJMGXLANF-GOSISDBHSA-N 309.413 2.725 0 40 DFAB COCCn1nc(C)c(CNc2cnc3ccccc3n2)c1C 97160094 QBHYLISQGKJDTB-UHFFFAOYSA-N 311.389 2.702 0 40 DFAB CS(=O)(=O)c1ccc(NCc2cnc3ccsc3c2)cn1 97115600 VRRAFIZXELDTRG-UHFFFAOYSA-N 319.411 2.707 0 40 DFAB CC(C)c1nccn1CC(=O)NCCc1cccc2cccnc12 97236168 ZVSCPDOVDNQZND-UHFFFAOYSA-N 322.412 2.914 0 40 DFAB Cc1cc(N)nc(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 89600611 IKMMYZFSHBGVAQ-LLVKDONJSA-N 312.402 2.801 0 40 DFAB Cc1cccn2c(CNc3ccc(-n4cncn4)c(F)c3)cnc12 89700481 DFJVOFWGIKKKNK-UHFFFAOYSA-N 322.347 2.975 0 40 DFAB Cn1cc(C[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C2)cn1 89755457 XWZXILNSYGZKTG-INIZCTEOSA-N 323.440 2.933 0 40 DFAB CN(Cc1ccccc1)CC(C)(C)NC(=O)CC1CCOCC1 89761680 NUGLHMQHLALIDV-UHFFFAOYSA-N 318.461 2.830 0 40 DFAB Cc1noc(CCCNC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)n1 89721107 BVPUKMSYIJLFPA-BLLLJJGKSA-N 314.389 2.713 0 40 DFAB CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 89738401 MISVOCPRGDBCMJ-MRXNPFEDSA-N 312.369 2.687 0 40 DFAB COC1CN(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)C1 89910109 OZMQUNZYQTVVFP-GFCCVEGCSA-N 301.346 2.693 0 40 DFAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccccc1 408714324 OIRWADTVGAZAQD-UHFFFAOYSA-N 323.352 2.774 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)O)CC1 36379559 WQDYHDDZLRURKY-UHFFFAOYSA-N 320.389 2.953 0 40 DFAB CCn1ncc(CN(C)c2nc(C)cc(C(F)(F)F)n2)c1C 36613534 ZPICEULXBBFGAV-UHFFFAOYSA-N 313.327 2.965 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)s1 78032315 ZUZHDNUOESIWTK-CABZTGNLSA-N 321.427 2.671 0 40 DFAB CC(C)(C)c1nsc(N2CCC[C@H](n3ccnn3)CC2)n1 1548451654 UYQHAHSRFWJUGG-NSHDSACASA-N 306.439 2.659 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1cccs1 77181725 HSTUEPIAKVRDIE-OAHLLOKOSA-N 318.354 2.634 0 40 DFAB Cc1cc(N(C)C)cc([C@@H]2CCN(CC3CCOCC3)C2)n1 72386145 LMGLPKAVJKZJPY-MRXNPFEDSA-N 303.450 2.672 0 40 DFAB COC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1OC 185525440 OMISFKFNLDQCIF-SECBINFHSA-N 318.295 2.656 0 40 DFAB CCC(=O)N1CCC[C@H](c2cc(-c3cncnc3)cc(C)n2)C1 72353621 IQKRYAXQKRSNKE-AWEZNQCLSA-N 310.401 2.963 0 40 DFAB CCc1n[nH]c(Sc2ccc(N)cc2C(=O)OC(C)C)n1 70462443 JFVQCJSMJTWQHX-UHFFFAOYSA-N 306.391 2.666 0 40 DFAB CC[C@H](CNC(=O)Cc1c(C)noc1C)Oc1cccc(F)c1 84560994 XBYFGOMDVUXACE-CQSZACIVSA-N 320.364 2.947 0 40 DFAB COC[C@@](C)(N[C@@H]1CCCN(C(C)C)C1=O)c1ccccc1 192739620 LMWADDQBFPFNHB-SJLPKXTDSA-N 304.434 2.537 0 40 DFAB CCC[C@]1(C)CCCN(C(=O)c2ccnc(C(=O)OC)c2)C1 81815107 AOCMRTLWCZOMAO-QGZVFWFLSA-N 304.390 2.911 0 40 DFAB COc1cccc(CNCc2ccc(C)nc2N2CCCC2)n1 225387667 NXCUPQUUVLFDIH-UHFFFAOYSA-N 312.417 2.684 0 40 DFAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cn1 225889153 RQJJKRFTGJXTBR-SUMWQHHRSA-N 322.405 2.641 0 40 DFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(F)cc1 225749660 ARQNLGXTPLEVIV-UHFFFAOYSA-N 314.291 2.918 0 40 DFAB C[C@@H](CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1ccccc1 195578297 NOGZSYHVJGUPQZ-BHYGNILZSA-N 313.397 2.933 0 40 DFAB O=C(Nc1c(F)cccc1Br)[C@@H]1CCCOC1 84246114 SRLFVEUABZGNNS-MRVPVSSYSA-N 302.143 2.953 0 40 DFAB Cc1cc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c(C)o1 96412108 JDWDRBMCPNTHKC-UHFFFAOYSA-N 310.394 2.883 0 40 DFAB CS[C@@H](CO)[C@H](C)NC(=O)OCc1ccc(Cl)cc1 583651279 IIMOQYQGKRWJET-CABZTGNLSA-N 303.811 2.679 0 40 DFAB CS[C@@H]1CCC[C@@H]1NC(=O)NCCCc1c(C)nn(C)c1C 96490511 SYBBVOWFFPDBIV-LSDHHAIUSA-N 324.494 2.553 0 40 DFAB COc1ccccc1CN1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 96220151 QKLZGVMZWFOVIQ-UHOSZYNNSA-N 317.429 2.854 0 40 DFAB COc1ccc2sc(C(=O)N[C@@H]3CCCNC3)c(C)c2c1 237327608 KGVZOZJRRPJGIB-LLVKDONJSA-N 304.415 2.700 0 40 DFAB CCSCCCn1c(CS(C)(=O)=O)nc2ccccc21 95402936 AKMZIWBPRFYRQB-UHFFFAOYSA-N 312.460 2.724 0 40 DFAB COC[C@@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)N1C 96208693 XWNBZVAHIDBJNZ-AWEZNQCLSA-N 322.474 2.772 0 40 DFAB Cc1ccccc1[C@H](C(=O)O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 581202114 JGLCULWPAZBBSM-RCCFBDPRSA-N 317.429 2.994 0 40 DFAB O=C(/C=C/c1csc(Br)c1)NC[C@H]1CCCO1 96407137 YJOLUFJNBVQGBD-HMDXOVGESA-N 316.220 2.819 0 40 DFAB CC(=O)NC1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 97095190 ZXGLHQWKYTXIBQ-UHFFFAOYSA-N 309.797 2.781 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccncn2)cc1F 257333767 YCYGUKOPNVEFPI-CQSZACIVSA-N 301.321 2.602 0 40 DFAB Cc1cc(C)c(NC(=O)c2cnc(OCC3CC3)cn2)c(C)n1 252479891 BOSOSYQAZJMZAF-UHFFFAOYSA-N 312.373 2.838 0 40 DFAB CC(=O)N1CCN(c2nc(C)cc(C)n2)C[C@H]1c1ccccc1 257275796 NQXPXRXBGHSKST-KRWDZBQOSA-N 310.401 2.503 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2ccccn2)C1 257270395 MUBOBIOTPDCMMD-HNNXBMFYSA-N 313.401 2.710 0 40 DFAB COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)nn1 283297902 YIOQPEWIHJWNMJ-KGLIPLIRSA-N 319.430 2.635 0 40 DFAB COC(=O)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)o1 390833546 JFEXKLCAXOABQP-UHFFFAOYSA-N 315.325 2.574 0 40 DFAB CCCN1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 585112977 XKXJRWWOTRIXBB-CHWSQXEVSA-N 305.422 2.561 0 40 DFAB Cc1noc(C)c1CCC(=O)NC[C@H](c1cccs1)N(C)C 27679046 NOZVIWVTAOQGFD-CQSZACIVSA-N 321.446 2.705 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2sccc2C)C1 35153095 JCFFTKAUAKISFU-KTRBRXNASA-N 307.415 2.871 0 40 DFAB CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 47601256 FSDQBIQXNAHHGE-SKDRFNHKSA-N 304.312 2.837 0 40 DFAB CCc1noc(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 52921073 LTZWVAPIHKKFAK-OAHLLOKOSA-N 313.401 2.550 0 40 DFAB CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)N1CCCC1=O 73206400 DUJCBLDCSVKZBU-OAHLLOKOSA-N 322.380 2.952 0 40 DFAB CCOc1ccccc1NC(=O)NC[C@@](C)(O)CCSC 75157688 JRBXCABPPYPQJF-HNNXBMFYSA-N 312.435 2.711 0 40 DFAB Cc1cncnc1N1CCN(c2ccnc3ccccc23)CC1 641646909 LUPPGVJXMRYNIT-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB Cc1ccc(CNCC2CCS(=O)(=O)CC2)cc1Cl 195448681 ANTQVUSEXYGFRN-UHFFFAOYSA-N 301.839 2.563 0 40 DFAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 143977671 DDLYEPHICIJRBB-DTWKUNHWSA-N 311.300 2.595 0 40 DFAB COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 4207418 SDVYYIHPBINTNA-WJDWOHSUSA-N 324.405 2.953 0 40 DFAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCO 5958482 LBPYFGPUKHGUFB-UHFFFAOYSA-N 308.765 2.778 0 40 DFAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2)C1=O 12999431 IROLWVHJQLATEQ-CYBMUJFWSA-N 310.353 2.829 0 40 DFAB Cn1cc([C@@H]2CN(Cc3cccs3)C[C@H]2N)c2ccncc21 19290471 PDMQUECOLKSKBP-JKSUJKDBSA-N 312.442 2.562 0 40 DFAB CC(C)n1nccc1C(=O)N1CCC[C@@H](c2nccs2)C1 162527742 HQURZALEXRJDBT-GFCCVEGCSA-N 304.419 2.940 0 40 DFAB C[C@@H]1C[C@@H](CNC(=O)C(F)(F)Cl)CN1Cc1ccccc1 153125082 CTUXDVLAONTJCP-YPMHNXCESA-N 316.779 2.845 0 40 DFAB Cc1ccc(O[C@@H]2CCCN(C(=O)CC3CCCC3)C2)nn1 225460556 WZLQTOODIFBJGT-OAHLLOKOSA-N 303.406 2.735 0 40 DFAB CCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5330091 ZMNGKWOUXHGIET-UHFFFAOYSA-N 310.419 2.664 0 40 DFAB CO[C@@H]1CN(Cc2cncn2C)CC[C@@H]1Cc1ccccc1F 643913785 HAQSDLYYWLSKAT-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB CC[C@@H]1CCCCN1CN1C(=O)NC2(CCC(C)CC2)C1=O 6358062 BKKVCJVCQUHEFZ-XOYHFGRZSA-N 307.438 2.709 0 40 DFAB Cc1cc(CN2CCC[C@H](COc3cccc(C)n3)C2)on1 1848864973 CVUPXULRYSOAGZ-HNNXBMFYSA-N 301.390 2.977 0 40 DFAB CC[C@H]1CO[C@]2(CCN(C(=O)Cc3noc4ccccc34)C2)C1 1565547716 MNTCFSVLZVYGFS-FZKQIMNGSA-N 314.385 2.788 0 40 DFAB CCc1ccc([C@]23OC(=O)C(C)(C)[C@H]2OC(=O)C3(C)C)cc1 141748 KFBGJPFZIHHXOY-ACJLOTCBSA-N 302.370 2.979 0 40 DFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CC(C)(C)C 5339254 MMWMSEZETFSMEQ-UHFFFAOYSA-N 324.446 2.910 0 40 DFAB Nc1sc(SCC(=O)NC2CC2)nc1-c1ccccc1 26423278 JWBBOGDLFVNFKM-UHFFFAOYSA-N 305.428 2.763 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 100237934 DWFZRYZAJWLOET-BFYDXBDKSA-N 312.413 2.749 0 40 DFAB O=C(NC[C@@H]1COc2ccccc21)c1cccc(-n2cccn2)c1 345477850 DAUFEPRMKAYYRP-OAHLLOKOSA-N 319.364 2.778 0 40 DFAB CCOC(=O)c1c(NC(=O)NC)sc2c1CC(C)(C)OC2 20100227 QXSINWDBQYKSNM-UHFFFAOYSA-N 312.391 2.527 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 44784 QJGWABJWIZVKDA-CQSZACIVSA-N 324.380 2.995 0 40 DFAB COc1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1C 31543292 QLSABSKECRXNAE-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB CCOCCn1c(=N)sc2cc(Br)ccc21 100969269 KIQLUGLKPPPNGD-UHFFFAOYSA-N 301.209 2.981 0 40 DFAB O=C(N1CC[C@H](N2CC=CC2)C1)C1(c2cccc(F)c2)CCC1 101277867 ISRYEKGTXLPNCS-KRWDZBQOSA-N 314.404 2.720 0 40 DFAB COC[C@H](C)NC1=NN=C(c2c[nH]c3ccccc23)CS1 101814685 PPMUCCOJGIQBCN-JTQLQIEISA-N 302.403 2.599 0 40 DFAB c1ccc2c(c1)CSc1ccccc1[C@@H]2CNC1=NCCN1 346608 JEYSLXJFCSUUGI-MRXNPFEDSA-N 309.438 2.973 0 40 DFAB Cc1ccc(-c2nc(C(=O)O[C@H]3C[C@@H](C)OC3=O)cs2)cc1 32741878 GUEKFVJEPIKXHS-MFKMUULPSA-N 317.366 2.979 0 40 DFAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 41326101 DNQIUIGAIYJYJZ-ZDUSSCGKSA-N 315.421 2.982 0 40 DFAB Cc1ccc(Br)cc1C(=O)N[C@@H]1CCCC[C@H]1N 87744041 DFVOTLZWHPRMQO-CHWSQXEVSA-N 311.223 2.757 0 40 DFAB O=C1CCCN1C[C@H](NC[C@@H]1CCCCO1)c1ccccc1 95984435 WCHXUMXDFPTIPI-IRXDYDNUSA-N 302.418 2.509 0 40 DFAB C[C@H](c1ccccc1)N1CNC(=S)N(Cc2ccco2)C1 12401907 RFQWTEUKIGINMS-CYBMUJFWSA-N 301.415 2.948 0 40 DFAB COc1ncccc1CNC(=O)c1ccc(-c2cnco2)cc1 47624988 IQXAHQMIPOKVNM-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB CCOC(=O)CS[C@H]1CCN(c2ccccc2Cl)C1=O 78610298 QWECDXIRDUIJDH-LBPRGKRZSA-N 313.806 2.742 0 40 DFAB CN(C(=O)c1ccc(N)cc1)[C@H]1CCN(C2CCCCC2)C1 1569076 BCZLLYRBOISBCG-KRWDZBQOSA-N 301.434 2.748 0 40 DFAB COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCc1ccccc1 1746735 RLYBONJXJXWSQA-UHFFFAOYSA-N 323.348 2.951 0 40 DFAB O=C(N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cscn1 78987351 GMXTXVRXEKLEIG-HZPDHXFCSA-N 324.409 2.998 0 40 DFAB CC12CN3CC(C)(CN(C1)C3c1ccc(O)c3ncccc13)C2 79191548 ZQDDDTAPHWKPJB-UHFFFAOYSA-N 309.413 2.987 0 40 DFAB biogenic O=C1CSc2ccc(C(=O)N3CCc4ccccc43)cc2N1 3337772 DHJSXLJNFUTYOV-UHFFFAOYSA-N 310.378 2.934 0 40 DFAB NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 4177421 VCCBMCRDPQVOBY-MUWHJKNJSA-N 316.308 2.704 0 40 DFAB O=C(NCc1nc(-c2ccccc2F)no1)c1cccs1 4993883 YGYZRWKYPXSMKG-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB Cn1ccs/c1=N\C(=O)/C=C/c1ccc(Br)o1 7974259 NSSFALLIEMYFJJ-CMSYKNKYSA-N 313.176 2.583 0 40 DFAB CN(C)[C@H](CNC(=O)NCc1ccccc1)c1ccsc1 12551835 JPKLCCIKNSOGPA-OAHLLOKOSA-N 303.431 2.850 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2F)on1 25069398 VFFHUIZPVLCFLR-SNVBAGLBSA-N 309.316 2.720 0 40 DFAB COc1ccccc1CNC(=O)Cn1cnc2cc(C)c(C)cc21 12532751 LNWFSVNKHDNHID-UHFFFAOYSA-N 323.396 2.978 0 40 DFAB Cc1ccc(Cn2nccc2NC(=O)c2n[nH]c3ccccc23)o1 12520118 OFBMLBMWGCNVDC-UHFFFAOYSA-N 321.340 2.961 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 24256363 PXYWZPXTUXTXGN-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB COc1ccc([C@H](C)c2cc3c(cc2OCCO)OCO3)cc1 3053292 ONSKWNFMGCLCCZ-LBPRGKRZSA-N 316.353 2.947 0 40 DFAB O=C(c1c[nH]c2ncccc12)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107509454 URMROHPYEZMQNZ-ZQIUZPCESA-N 324.428 2.509 0 40 DFAB C[C@H](O)CCN(C)S(=O)(=O)c1ccccc1-c1ccccc1 84637237 MTDCZPSMERIUCQ-AWEZNQCLSA-N 319.426 2.745 0 40 DFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccsc1)c1ccco1 107262744 YDJDGQYUZPFSCS-MGPQQGTHSA-N 302.399 2.876 0 40 DFAB CC(=O)N(C)CC(=O)NC(c1ccccc1C)c1ccccc1C 97376744 CTQVKESNDJTKRF-UHFFFAOYSA-N 324.424 2.987 0 40 DFAB CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1 84718341 RDRMYCITUQMKMM-MOPGFXCFSA-N 322.408 2.634 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n(C)n1 58304536 WPMGJKFWWZHQKF-UHFFFAOYSA-N 319.308 2.548 0 40 DFAB CCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC 58370551 LFQCKVFYILIIFV-UHFFFAOYSA-N 313.279 2.649 0 40 DFAB CN(C)CCn1cc(NC(=O)Cc2cccc3ccccc23)cn1 58344252 YEFGQEVLLSFAFT-UHFFFAOYSA-N 322.412 2.779 0 40 DFAB CN(c1ccccc1F)S(=O)(=O)c1ccc(F)c(F)c1 58344211 HKGZCRWQIZVORA-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCSCC1 58411690 UKWVOSRJKSEZFV-CMPLNLGQSA-N 322.405 2.609 0 40 DFAB CNC(=O)c1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 45846228 SPIOWTOIWNQCJA-UHFFFAOYSA-N 313.382 2.628 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nccn1C1CC1 29625687 LCOXJPDVQNSWNW-NSHDSACASA-N 319.434 2.688 0 40 DFAB Cc1nn([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 2732752 WIRKRHNIWGTQKT-VIFPVBQESA-N 307.737 2.743 0 40 DFAB NC(=O)c1ccccc1OCc1csc(-c2ccccn2)n1 12239205 TXGAIDXOPQFWGB-UHFFFAOYSA-N 311.366 2.883 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(F)ccc2O)cc1 95443644 TVJWRBLQGDRHCK-RUDMXATFSA-N 314.316 2.543 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNCc1ccc(N(C)C)nc1 48711442 KWHLPPIHVJJHMP-UHFFFAOYSA-N 321.856 2.948 0 40 DFAB CC[C@@H](C(=O)OC)N(C(=O)c1cncc(C)c1)c1ccccc1 74950835 ATFKDCSOZNGWRU-INIZCTEOSA-N 312.369 2.988 0 40 DFAB CCCCS(=O)(=O)NCc1coc(-c2cccs2)n1 49126614 MOGZHLRMRVISMO-UHFFFAOYSA-N 300.405 2.623 0 40 DFAB COCCn1cc2c(n1)[C@@H](NC(=O)Nc1ccccc1)CCC2 96002637 AHAMVKOYRVPTAS-HNNXBMFYSA-N 314.389 2.729 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)NCCc1ccc(F)cc1 21972842 WVYLHVKTEIDRKU-UHFFFAOYSA-N 315.344 2.846 0 40 DFAB Cc1nc(-c2ccccc2)c(C(=O)NCCn2ccnc2)s1 65402294 GUIVVIUPOCCUKA-UHFFFAOYSA-N 312.398 2.745 0 40 DFAB O=C1C[C@@H](C(=O)NCCc2ccccc2)c2ccc(F)cc2N1 14051851 WRIWBYDRBZXIGU-OAHLLOKOSA-N 312.344 2.610 0 40 DFAB COc1cc2c(=O)[nH]c(-c3ccncc3)nc2cc1OC(F)F 65565173 PBFKGDMXVIWNIV-UHFFFAOYSA-N 319.267 2.595 0 40 DFAB O=C(CN1CCCC1)NCc1cc(-c2ccc(Cl)cc2)no1 5675884 ANIVMFTWXPDCOP-UHFFFAOYSA-N 319.792 2.707 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(O)c2)cc1 9451894 LXLQLXCDNLGHOT-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)NCC2(c3ccccc3)CC2)C1 71837440 BIXQIPCXAYXKER-INIZCTEOSA-N 315.461 2.748 0 40 DFAB COc1cccc(NCCc2n[nH]c(-c3cccc(N)c3)n2)c1 62719258 CTUAJRLLKVAYEV-UHFFFAOYSA-N 309.373 2.717 0 40 DFAB COc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)ccc1C 7945245 BRPFVXOPONMZNF-UHFFFAOYSA-N 319.382 2.659 0 40 DFAB Cc1ccc(CNC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236169 QDDROHGHQFZIQV-UHFFFAOYSA-N 324.355 2.916 0 40 DFAB O=C1OCCN1CCSc1nc(-c2ccc(Cl)cc2)n[nH]1 28188244 KTEFCLOVZIVMDM-UHFFFAOYSA-N 324.793 2.669 0 40 DFAB O=C(Cc1ccsc1)O[C@@H](C(=O)NC1CC1)c1ccccc1 8293001 MOEVNDYDQWTJTI-MRXNPFEDSA-N 315.394 2.854 0 40 DFAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC1 70040700 KRJHISDYYVPWNJ-UHFFFAOYSA-N 303.387 2.825 0 40 DFAB Cc1nccc(C(=O)Nc2ccnc(Sc3ccccn3)c2)n1 69486883 BYYZAWXDJZSVAS-UHFFFAOYSA-N 323.381 2.979 0 40 DFAB COCCOCC(=O)N[C@H](C)Cc1ccc2ccccc2c1 69415101 GAYRJWVRDLMDSL-CQSZACIVSA-N 301.386 2.550 0 40 DFAB O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc[n+]([O-])cc1 69423179 VHEPZDSHNUKDCC-UHFFFAOYSA-N 308.341 2.716 0 40 DFAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cn1 69433179 UWQDLXXQQKYDGI-INIZCTEOSA-N 313.401 2.858 0 40 DFAB Cc1nc([C@@H](NC(=O)Cc2ccccc2)c2ccccc2)n[nH]1 69520222 XJFUKSYKXHHEJM-KRWDZBQOSA-N 306.369 2.561 0 40 DFAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1ccc(F)cc1Cl 69811592 SZSJCSCAWNKVBG-HOGDKLEQSA-N 305.802 2.643 0 40 DFAB O=C(Cc1ccccc1Br)NCc1ccncc1 18195133 FOEWIYINRSPNMP-UHFFFAOYSA-N 305.175 2.703 0 40 DFAB COC(=O)c1cccnc1SCC(=O)Nc1ccccc1 8716983 QXGBOBAZFODDTF-UHFFFAOYSA-N 302.355 2.599 0 40 DFAB COc1ccc(CN2CC[C@H]([C@@H](C)N)C2)cc1Br 97053167 JUGNYOLXLIDYSW-PWSUYJOCSA-N 313.239 2.627 0 40 DFAB Cc1ccc(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 97010671 BILSBNSFGPRJAD-HNNXBMFYSA-N 313.353 2.794 0 40 DFAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCCC[C@@H]1C 97091301 CMISCNJSXKEVIB-JQWIXIFHSA-N 305.422 2.684 0 40 DFAB COc1cc(F)c([C@@H](C)NCc2nnc(C)s2)cc1OC 95985182 ZEWVZJMHOOUTCB-MRVPVSSYSA-N 311.382 2.854 0 40 DFAB CCc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 95964285 RTTMVFAUPCNBCH-HOTGVXAUSA-N 309.431 2.581 0 40 DFAB CN1CCC(CNc2ncccc2F)(N2CCCCC2)CC1 97103468 WXNIDMAHLYWAQX-UHFFFAOYSA-N 306.429 2.583 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)c2ccncc2)CC1 97143223 KFSZEWIHTLRUDT-CYBMUJFWSA-N 301.415 2.662 0 40 DFAB Cc1ccc(C(=O)NCCCc2cccc(Cl)c2)c(=O)[nH]1 75126030 UXZWWLTTZBKVBD-UHFFFAOYSA-N 304.777 2.699 0 40 DFAB COC(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccn1 75106664 DZWXYVVIRVOPCV-UHFFFAOYSA-N 324.789 2.855 0 40 DFAB O=C(NCCCCC(F)(F)F)N1CCC(n2cccn2)CC1 89885010 YPFOUCMDXNQBEU-UHFFFAOYSA-N 318.343 2.962 0 40 DFAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 89818249 AKIIRLZYVMWKHB-IXDOHACOSA-N 318.461 2.720 0 40 DFAB COCCn1cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cn1 89905477 LGPPJDBEISTSGG-RDJZCZTQSA-N 314.433 2.777 0 40 DFAB O=C(Nc1ccc(-n2cnnc2)cc1)c1c[nH]nc1-c1ccco1 1556179390 AIFKCFKSZXZGQK-UHFFFAOYSA-N 320.312 2.503 0 40 DFAB CCn1nc(C)c2c(C(=O)N3CCC(C)CC3)cc(C)nc21 28242295 WZRRKMXLSNNMJG-UHFFFAOYSA-N 300.406 2.940 0 40 DFAB CO[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C 546025142 AWAMFNFETJUHDD-CYBMUJFWSA-N 322.386 2.677 0 40 DFAB O=C(Nc1cccnc1)c1ccc(Cn2cc(Cl)cn2)o1 28226805 BTBSJKLYQVEVHY-UHFFFAOYSA-N 302.721 2.825 0 40 DFAB CN(C)C(=O)[C@H](OC(=O)c1ccc2cn[nH]c2c1)c1ccccc1 25790129 LCZVGUAISGPSKH-MRXNPFEDSA-N 323.352 2.549 0 40 DFAB COc1ccc(NC(=O)/C=C/c2cnc(SC)nc2)cc1 408531422 LXNDRLMOEKWPJT-FPYGCLRLSA-N 301.371 2.859 0 40 DFAB Cc1nc(CN2CCC(CNC(=O)[C@@H]3CC34CCC4)CC2)co1 1001899455 YFKNBNVPXWGDBK-INIZCTEOSA-N 317.433 2.501 0 40 DFAB O=C(CC1(Cn2cccc2)CCCCC1)NCCc1cnc[nH]1 524733605 YBKRLOOXYMRMHD-UHFFFAOYSA-N 314.433 2.911 0 40 DFAB O=C(O)c1cc(O)n(-c2ccc(OCc3ccccc3)cc2)n1 217700519 ROXHVOQJPWJNBV-UHFFFAOYSA-N 310.309 2.855 0 40 DFAB Cc1nccc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)n1 72355605 JEXMRURCHAMMHJ-OAHLLOKOSA-N 320.400 2.750 0 40 DFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC[C@@H]1CO 74783502 AEEQDFNUXDUBHW-CYBMUJFWSA-N 321.808 2.530 0 40 DFAB CN(C)Cc1cc(Br)c(O)c(Br)c1 31924393 UNZDLUPNYDSTFC-UHFFFAOYSA-N 309.001 2.979 0 40 DFAB CC(=O)Nc1ccc(-c2csc(CN3CCOCC3)n2)cc1 76316403 QAGYVYAMHSDFDZ-UHFFFAOYSA-N 317.414 2.601 0 40 DFAB Cn1ccnc1CNC(=O)Nc1ccc(F)cc1OCC1CC1 77724191 LDTVBEKZMMCURB-UHFFFAOYSA-N 318.352 2.670 0 40 DFAB O=C(NCCCCN1CCCC1)c1nc2ccccc2s1 42383357 RWOVWMSOKBCZMF-UHFFFAOYSA-N 303.431 2.902 0 40 DFAB CCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C 224141508 AQGJIQYMUJNNBZ-HNNXBMFYSA-N 304.434 2.894 0 40 DFAB CC[C@@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 41185206 IPDPCFKJTIOQOY-LLVKDONJSA-N 303.362 2.593 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)OCC12CC3CC(CC(C3)C1)C2 139815547 MDRGGQISVKQAMR-ZZTKBFGJSA-N 307.390 2.888 0 40 DFAB CC(C)OCCCNC(=O)C1(c2ccccc2)CCOCC1 223547557 NPCMAMXSKGABIH-UHFFFAOYSA-N 305.418 2.666 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2C[C@@H](CC(=O)O)C[C@@H]1C(F)(F)C2 321290359 AKNUEXAWXYGVEM-KXUCPTDWSA-N 305.321 2.884 0 40 DFAB C[C@H](C(=O)NC[C@H]1CCCCN(C(=O)[C@@H](C)C2CC2)C1)C1CC1 572833250 FIBYOCLUTYFTHF-SOUVJXGZSA-N 320.477 2.824 0 40 DFAB Cc1ccc2nnc(C(=O)N(CCO)Cc3ccccc3)cc2c1 46087714 DVOZAZUZFHFNTF-UHFFFAOYSA-N 321.380 2.573 0 40 DFAB C/C=C/c1cc(C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 44890485 IQKXETDTAUAQEF-YVZNUBBCSA-N 305.374 2.646 0 40 DFAB CO[C@@H](C(=O)N1CCCC[C@H]1c1ncon1)c1ccccc1 96500437 PESVQYKCJVGFOH-UONOGXRCSA-N 301.346 2.511 0 40 DFAB O=C(O)c1cnc(OCC(F)(F)F)c(C2CCOCC2)c1 146040753 WXDLWNNDDDWZLT-UHFFFAOYSA-N 305.252 2.615 0 40 DFAB Cc1cccc(NC[C@@H]2CCN(Cc3nnsc3Cl)C2)n1 97200893 MVOSXJQHLXBYHI-NSHDSACASA-N 323.853 2.829 0 40 DFAB C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(C(=O)O)cc1 237565100 WWHIUSBKIJXNIS-SWLSCSKDSA-N 305.374 2.596 0 40 DFAB Cc1nc2ccccc2n1CCCOC(=O)C1=COCCC1 95404936 OHABWJMDZFWAKV-UHFFFAOYSA-N 300.358 2.972 0 40 DFAB CCOc1cc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)ccn1 96410816 KDPNYBIDGYIKHH-ZIAGYGMSSA-N 301.346 2.627 0 40 DFAB COc1ccccc1CNC(=O)c1noc(-c2ccc(C)cc2)n1 96105460 LMEJNWBPIQFHAJ-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB OC[C@H](CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)Cc1ccccn1 245339273 RQFIZQYPXNZHJP-JIYJMNMHSA-N 300.446 2.647 0 40 DFAB COc1cccc(Oc2cc(C)nc(C3CN(C(C)=O)C3)n2)c1 257232564 GLKKSEOIGNSBOT-UHFFFAOYSA-N 313.357 2.532 0 40 DFAB O=C(NCc1ccnc([C@@H]2CCCOC2)n1)C1CCCCC1 257255118 KGDZEJCGPZUSLW-CQSZACIVSA-N 303.406 2.567 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)COc2ccccc2)C1 257319126 VQWSQCGPDRREDQ-OAHLLOKOSA-N 313.401 2.578 0 40 DFAB CNc1snc(C)c1C(=O)N[C@@H]1CCc2ccccc2C1 280500731 GAUUZLDLHDPXOX-CYBMUJFWSA-N 301.415 2.781 0 40 DFAB CCc1noc(CS(=O)(=O)Cc2c(F)cccc2Cl)n1 32929780 CWMNVASPHMENND-UHFFFAOYSA-N 318.757 2.540 0 40 DFAB CCc1cccc(CC)c1NC(=S)N1CCC[C@@H](C(N)=O)C1 47807648 RWMSAFBXAPUZJT-CQSZACIVSA-N 319.474 2.706 0 40 DFAB CCCCS[C@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1 57442006 IYNKWGCZWRFMKT-CYBMUJFWSA-N 322.474 2.926 0 40 DFAB CCC(=O)NC(=S)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354423 SBEZZROHDNEYEF-UHFFFAOYSA-N 321.185 2.915 0 40 DFAB CSc1nnc(CNC(=O)NCc2ccccc2)n1C(C)C 5001671 IXVMWPJHAXTONM-UHFFFAOYSA-N 319.434 2.580 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)COc1ccccc1F 5989624 XLJXRLWIBCAZJA-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)on1 12422443 TZKOOPDVOLWMNV-UHFFFAOYSA-N 303.299 2.574 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)C(C)C 19295908 QVGLJKQHJSZNQE-ZBEGNZNMSA-N 302.374 2.771 0 40 DFAB COc1ccc(C(=O)c2cn(C)c3ccc(OC)cc3c2=O)cc1 1889249507 SVKXLBYWQSLTAY-UHFFFAOYSA-N 323.348 2.787 0 40 DFAB CCOC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O 489130 OKCSGDDAJPCZAS-UHFFFAOYSA-N 310.733 2.956 0 40 DFAB biogenic CSc1nccc(N2CC(Cn3ccnc3C(C)C)C2)n1 2087124845 HENOYUSJANRNOE-UHFFFAOYSA-N 303.435 2.655 0 40 DFAB Cn1ccnc1SCC(=O)c1cc2ccccc2oc1=O 52950 ZSSATGXJPVNFII-UHFFFAOYSA-N 300.339 2.502 0 40 DFAB COc1ccc(Cl)c2sc(NC(=O)c3ccnn3C)nc12 12444244 SNDFGUPYLWIDPI-UHFFFAOYSA-N 322.777 2.944 0 40 DFAB COc1ccc(Cl)c2sc(NC(=O)c3ccn(C)n3)nc12 13667618 HZHWLGUNYRAMSG-UHFFFAOYSA-N 322.777 2.944 0 40 DFAB COc1ccc([C@H]2CCCCN(C(=O)N3CCOCC3)C2)cc1 206887502 CYOSHJXQOOLIPK-INIZCTEOSA-N 318.417 2.717 0 40 DFAB COC(=O)Cc1csc(NC(=O)C[C@H](C)c2ccccc2)n1 31765058 YLTMFYLADQXHLG-NSHDSACASA-N 318.398 2.991 0 40 DFAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3[nH]ncc31)C(=O)N2C 31809574 ORERRMRHJRUFPT-QGZVFWFLSA-N 310.357 2.787 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CSc2ccccc21 218781 OEWLZWFEALWBOX-CHWSQXEVSA-N 318.442 2.820 0 40 DFAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccncc1 32424415 GQVGVQJCPSHSND-FPYGCLRLSA-N 307.353 2.626 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1 21187940 QUWYYZIOOUCDLR-LLVKDONJSA-N 322.386 2.586 0 40 DFAB COc1ccc(C(=O)[C@H](C)OC(=O)COc2ccccc2)cc1 384566 LWUIQCZSMHUUJY-ZDUSSCGKSA-N 314.337 2.889 0 40 DFAB COc1ccc(CNc2nc(N)c3ccccc3n2)c(OC)c1 41146454 QANIFVCFYKXXRZ-UHFFFAOYSA-N 310.357 2.841 0 40 DFAB C[C@@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)Cc1cccs1 74626845 YEWJXCMZLHDZAY-CABCVRRESA-N 323.506 2.910 0 40 DFAB O=c1oc2ccc(OS(=O)(=O)c3ccccc3)cc2s1 3156995 LDTYLLCTNATCPV-UHFFFAOYSA-N 308.336 2.622 0 40 DFAB Cc1ccc(C)c(NC(=O)COC(=O)c2c(C)noc2C)c1 3564915 BBYPOHSGJRILHU-UHFFFAOYSA-N 302.330 2.704 0 40 DFAB CCc1cccc(OC(=O)c2sccc2-n2cnnn2)c1 42819827 MWEWNALLORZYJB-UHFFFAOYSA-N 300.343 2.505 0 40 DFAB C[C@@H](NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1 89913535 VGOGQKJSLLRMMN-GFCCVEGCSA-N 309.373 2.529 0 40 DFAB COc1ccccc1C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 10542897 HWKLCZHBYTXCQX-HUUCEWRRSA-N 304.434 2.793 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@H](Nc2ncccn2)C1=O 95398157 KMTNCTADLAQEFX-ZDUSSCGKSA-N 300.337 2.532 0 40 DFAB Cc1n[nH]c(Sc2ccc(C(=O)Oc3ccccc3)cn2)n1 1385551 BVHMOBWUCFLHFV-UHFFFAOYSA-N 312.354 2.879 0 40 DFAB CCOC(=O)N1CCN(C(=O)Nc2cccc(CC)c2)CC1 43333830 KNWMIAPLDHZLKG-UHFFFAOYSA-N 305.378 2.555 0 40 DFAB CN(Cc1cnccn1)C(=O)c1cc(-c2ccc(F)cc2)on1 89364861 WVVLAUJSSJAKCZ-UHFFFAOYSA-N 312.304 2.543 0 40 DFAB CCCc1nnc(NC(=O)NC[C@H](c2ccco2)N(C)C)s1 43557405 NYZYEVHATOKQCA-SNVBAGLBSA-N 323.422 2.508 0 40 DFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1F 9993210 DYBKKJOBUXEHSV-UHFFFAOYSA-N 324.714 2.873 0 40 DFAB C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1 58195569 PKTLXBROLVJAFF-ZDUSSCGKSA-N 311.385 2.972 0 40 DFAB C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1 44867575 DDQLABVXKZMCIX-GFCCVEGCSA-N 324.471 2.849 0 40 DFAB CC[C@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 58230818 XLZJUTXRGXDFCU-WFASDCNBSA-N 304.390 2.671 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CCC[C@@H](C(=O)Nc2cccnc2)C1 58202017 ZRIUDRAONSNEMG-ZIAGYGMSSA-N 324.384 2.860 0 40 DFAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2108586 LNIBEDZBSAHJSQ-WDEREUQCSA-N 313.357 2.967 0 40 DFAB biogenic Cc1noc(C)c1CC(=O)Nc1nnc(-c2ccco2)s1 48236770 CKORIFCJIFDWBX-UHFFFAOYSA-N 304.331 2.584 0 40 DFAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc2[nH]cnc2c1 58329752 JBMQXINGGRAZCU-UHFFFAOYSA-N 318.340 2.909 0 40 DFAB COc1cccc(S(=O)(=O)CCN(C)Cc2ccc(C)o2)c1 58377431 RUWGCVNEWQIUDN-UHFFFAOYSA-N 323.414 2.502 0 40 DFAB CCCCC(=O)N1CCC(C(=O)OC)(c2ccccc2)CC1 48237745 RCVWUCSYGKJLCQ-UHFFFAOYSA-N 303.402 2.910 0 40 DFAB CCN(C(=O)Nc1ccccc1F)[C@H](C)CS(=O)(=O)CC 84760667 FVCLIVGVDWYHNC-LLVKDONJSA-N 316.398 2.503 0 40 DFAB Cc1cccc2c(=O)n(CCCC(=O)NC3CCCC3)cnc12 10755011 IDNMALJZOBYPQT-UHFFFAOYSA-N 313.401 2.544 0 40 DFAB COc1ccc(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 22326165 BGERNEARFZYDES-KRWDZBQOSA-N 310.353 2.505 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 11337396 JJENAILJFCHYPO-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB C[C@@H](Sc1nnc(C2CC2)[nH]1)c1nc2ccccc2c(=O)[nH]1 11473581 LMLNRMIWUSTSSD-MRVPVSSYSA-N 313.386 2.772 0 40 DFAB O=C(NCc1ccco1)C(O)(c1ccccc1)c1ccccc1 12029655 ZHAFSOGHMFUDJX-UHFFFAOYSA-N 307.349 2.832 0 40 DFAB CC1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 12948823 ZQBFUYOABMHBQJ-BBBYJDLNSA-N 318.417 2.996 0 40 DFAB C1=NC2=NC3=C(COc4ccccc43)[C@H](c3cccs3)N2N1 13127122 TXVAHHFZOAPEOR-OAHLLOKOSA-N 308.366 2.811 0 40 DFAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1C/C=C/c1ccccc1 9154888 LCODGTMLIKVYSB-KPKJPENVSA-N 320.348 2.691 0 40 DFAB O=C(c1ccncc1)N1CCC(c2nc3ccccc3[nH]2)CC1 6025741 LQEVPZXGAOBDRR-UHFFFAOYSA-N 306.369 2.978 0 40 DFAB Cc1ccc(NC(=O)C[C@@H](NCC(C)C)C(=O)O)cc1Cl 4280147 VFIHRHJFDFCXQL-CYBMUJFWSA-N 312.797 2.676 0 40 DFAB COC(=O)CCCNC(=O)CSCc1cccc(Cl)c1 49985203 LWBQQWQNWAZSPA-UHFFFAOYSA-N 315.822 2.643 0 40 DFAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 408996772 ANZGXEQAWXICII-IPYPFGDCSA-N 304.390 2.858 0 40 DFAB CCn1nc(C(=O)Nc2ccc(C)cc2)c2ccccc2c1=O 5559739 KJARVNPQFDNONS-UHFFFAOYSA-N 307.353 2.977 0 40 DFAB COc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 6604406 HGHIHWGABVREOR-ZDUSSCGKSA-N 313.353 2.729 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 6760626 QZLMZXRRSGLMDM-CMPLNLGQSA-N 322.792 2.943 0 40 DFAB O=c1c(Cl)c(N2CCCCC2)cnn1Cc1ccccc1 6757103 NPJACMFARWXHOU-UHFFFAOYSA-N 303.793 2.935 0 40 DFAB CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 6851027 CGJXIZKRVWARDS-CYBMUJFWSA-N 318.764 2.784 0 40 DFAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccccc1 67259991 URUGKTCRNVJBFH-UHFFFAOYSA-N 320.327 2.745 0 40 DFAB NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 90225763 MPOYZWHWJKUBCW-UHFFFAOYSA-N 312.188 2.764 0 40 DFAB COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1C 113935505 CIVVADFTIKDWPK-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB CNC(=O)CC1CCN(c2ncnc3c2oc2ccccc23)CC1 80606721 XQXHBGOSSCIRNF-UHFFFAOYSA-N 324.384 2.729 0 40 DFAB C[C@H](CCc1ccco1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 90522496 BTZSJBQSCWPDMS-MNEFBYGVSA-N 320.477 2.958 0 40 DFAB CO[C@H](CNC(=O)c1ccc(F)nc1)c1ccc(Cl)cc1 96425481 PIZOBKDTZGBLSN-CYBMUJFWSA-N 308.740 2.992 0 40 DFAB CC(C)Oc1ccc(CNC(=O)NCc2cccn2C)cc1F 96439925 LOOXAXKSMDKIJH-UHFFFAOYSA-N 319.380 2.951 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCCCCC1 16484812 XQSUZOHYNUBPMA-CABCVRRESA-N 309.454 2.657 0 40 DFAB NC(=O)NCc1ccc(C(=O)Nc2cncc3ccccc23)cc1 89873281 QMOMWCCMWAJZRY-UHFFFAOYSA-N 320.352 2.655 0 40 DFAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1cccnc1 81529301 ALKALDBWYHLWID-AWEZNQCLSA-N 310.401 2.632 0 40 DFAB C[C@H](c1ccccn1)N(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C1CC1 69165743 HQZCPGKPBNZORT-WQVCFCJDSA-N 310.401 2.671 0 40 DFAB C[C@H]1CCC[C@H](N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1 69138116 WOFOXUPINVDISN-STQMWFEESA-N 314.451 2.540 0 40 DFAB COc1ccccc1CC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 89894964 SOKJJMORRBSDJD-WMLDXEAASA-N 313.397 2.866 0 40 DFAB Cc1cccc(C2(CNC(=O)[C@H](C)n3cncn3)CCCC2)c1 69493926 VIAUROXJSWYEIJ-HNNXBMFYSA-N 312.417 2.776 0 40 DFAB Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc2[nH]nnc2c1 71888378 DLZLBDWJYNIQJQ-UHFFFAOYSA-N 312.377 2.532 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2cccs2)CC1 71835136 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CN(CC(C)(C)O)C(=O)NCc1ccc(-c2ccccc2)o1 95965112 XUKLSNVWYLDWGQ-UHFFFAOYSA-N 302.374 2.859 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c[nH]nc1C 95956770 MJEUMKVWUUDWSD-INIZCTEOSA-N 310.357 2.621 0 40 DFAB NC(=O)c1cccc(C[S@](=O)Cc2ccc(Cl)s2)c1 95957221 PAIUXIIXBMAMCI-LJQANCHMSA-N 313.831 2.949 0 40 DFAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1cccc(F)c1F 95986981 TXZCANGMZQDWDH-NSHDSACASA-N 311.328 2.770 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)NCc1nnc2n1CCCCC2 89948277 MBEBGBRJFXWSND-CQSZACIVSA-N 319.453 2.869 0 40 DFAB COc1cc(CNC(=O)c2cc(C(C)=O)c[nH]2)c2ccccc2n1 76041895 MKWLZCNRLIUBAR-UHFFFAOYSA-N 323.352 2.704 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)[C@@H]1C[C@@H]1c1cccc(F)c1F 76083905 SIOCTDXFFABBSE-BZPMIXESSA-N 323.364 2.980 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)cc1 74959676 FEJOKYDSDSNKJM-UHFFFAOYSA-N 313.353 2.971 0 40 DFAB O=C(Nc1nnc(Cc2cccs2)s1)c1ccncc1 35670980 RDVZABGVMSZZBP-UHFFFAOYSA-N 302.384 2.838 0 40 DFAB CC(C)N(Cc1ccccc1)C[C@H]1CCCCN1CC(=O)O 79416191 HJOIRMQQGMKLHB-QGZVFWFLSA-N 304.434 2.836 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)ccn1 79001765 XLGWJVXPZKHLPC-AWEZNQCLSA-N 303.406 2.756 0 40 DFAB CN(C)c1ccccc1NC(=O)N(CCO)Cc1ccccc1 79674938 QKQOCEFGEVLUQL-UHFFFAOYSA-N 313.401 2.779 0 40 DFAB CC(C)CN(CC(N)=O)Cc1csc(-c2cccs2)n1 44898768 VQEKFJDIOQMXSQ-UHFFFAOYSA-N 309.460 2.815 0 40 DFAB CNc1cc(Nc2nccc([C@@H]3CCCN3C(C)C)n2)ncn1 72377457 YYSJNHVPSKFBNE-ZDUSSCGKSA-N 313.409 2.597 0 40 DFAB CCn1cc(CN(C)Cc2c(C(=O)O)oc3ccccc23)cn1 568062602 JGCGIENKUPWXOO-UHFFFAOYSA-N 313.357 2.979 0 40 DFAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccnc1 225788317 YLTAXNLRMFUWJO-GFCCVEGCSA-N 317.414 2.844 0 40 DFAB O=C([C@H]1CCCCCN1)N1CCC(Oc2ccc(F)cc2)CC1 569221976 LJRWRDPRKNAIMC-QGZVFWFLSA-N 320.408 2.728 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1O 22002882 IJRKHPJKPITHGW-CYBMUJFWSA-N 305.374 2.649 0 40 DFAB Cc1cnc(C(=O)NCc2csc(Br)c2)cn1 32923012 POWXXQADPWIUFR-UHFFFAOYSA-N 312.192 2.539 0 40 DFAB Cn1ccc(CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 81508966 CPGZAPWITBWVKO-UHFFFAOYSA-N 301.346 2.854 0 40 DFAB CCc1ccc(CNC(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)s1 190109355 YWQKKFPGDBLOCE-SMDDNHRTSA-N 324.446 2.651 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)Cc2ccccc2F)C1 48267993 HFRDFCYVRWYYKO-GJZGRUSLSA-N 306.425 2.852 0 40 DFAB Cc1cc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)no1 226747442 BQZBBWIOOFCWOR-HNNXBMFYSA-N 303.293 2.644 0 40 DFAB CC(C)CNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 227153190 HSQRENVPXNPMBQ-UHFFFAOYSA-N 301.390 2.802 0 40 DFAB COC(=O)c1cc(F)c(C)c(OCc2nc(C3CC3)no2)c1 193574730 QNHZQPZYDZGXCZ-UHFFFAOYSA-N 306.293 2.760 0 40 DFAB Cc1nc([C@H](N[C@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 195558910 ODPUDWVLRJFUAR-GXFFZTMASA-N 311.744 2.638 0 40 DFAB O=C1[C@H](SC[C@@H](O)c2ccccc2)CCN1CC(F)(F)F 96410871 AVXSSRXGAKGRQN-VXGBXAGGSA-N 319.348 2.616 0 40 DFAB Cc1nc(-c2cccc(C(=O)OCCC(=O)N(C)C)c2)cs1 96441890 VBHYNHNXBPBRLW-UHFFFAOYSA-N 318.398 2.754 0 40 DFAB CCOc1cc(C(=O)NCc2ccncc2)nn1-c1ccccc1 96182495 DIQZLFJEUFFDFL-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCOC1 96431384 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315.291 2.742 0 40 DFAB CN(C)c1nc(C[S@@](=O)Cc2ccccc2Cl)ns1 97080195 YQDFFFAKMJDCBJ-LJQANCHMSA-N 315.851 2.706 0 40 DFAB Cc1cccnc1NC(=O)NC[C@@H](c1cccs1)N(C)C 43145883 UXVRASBQCBDOGV-LBPRGKRZSA-N 304.419 2.876 0 40 DFAB COc1cc([C@@H](C)NS(C)(=O)=O)ccc1OCCC(C)C 55255740 USKANTXDZHOZGK-GFCCVEGCSA-N 315.435 2.730 0 40 DFAB CCOC(=O)CN1N=C(/C=C/c2ccc(C)cc2)CCC1=O 1387442 WKXLKYCKUWMZRX-CMDGGOBGSA-N 300.358 2.550 0 40 DFAB C[C@H](NC(=O)CCn1cncn1)c1ccc(Cl)cc1Cl 25242831 BFTIACMUAHOOHQ-VIFPVBQESA-N 313.188 2.852 0 40 DFAB CCn1nc(C)c2nc(C)nc(Nc3cccc(C(=O)NC)c3)c21 57355257 HUZQSXMTYMBBHH-UHFFFAOYSA-N 324.388 2.566 0 40 DFAB COc1ccc(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 56502879 DCWHGDATGBPTRG-ZIAGYGMSSA-N 305.422 2.937 0 40 DFAB C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnccn1 58268407 YEUXPUUVINGFTK-SNVBAGLBSA-N 320.190 2.600 0 40 DFAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccnc1N1CCCC1 48172452 DWUKCUXIFUHQOS-KBPBESRZSA-N 317.437 2.981 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1cccc(NC(=O)C2CC2)c1 58298590 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12887443 OPFBHZMBUVWNRL-UHFFFAOYSA-N 321.808 2.741 0 40 DFAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(O)nn1 24247875 VGABWHHBLOILAE-SNVBAGLBSA-N 321.789 2.803 0 40 DFAB O=C(CNC(=O)c1ccccc1)Nc1nc2ccccc2s1 12875099 XADJPGOQPUOTJY-UHFFFAOYSA-N 311.366 2.665 0 40 DFAB CCOc1ccc2[nH]c3c(NCCCN(C)C)ncnc3c2c1 2333727 YCJKMTLMCLIFSD-UHFFFAOYSA-N 313.405 2.873 0 40 DFAB O=C(Cn1ccccc1=O)NC1CCC(c2ccccc2)CC1 45417620 NLZYGUCLMVWLNR-UHFFFAOYSA-N 310.397 2.691 0 40 DFAB CN1CCC(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 97141401 PBAGXIMNCOEVMR-GFCCVEGCSA-N 307.360 2.501 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 97143041 AZVAMSJDEFNDOE-HNNXBMFYSA-N 312.373 2.779 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 118567383 XYBOSBHTIPHQMY-MFKMUULPSA-N 316.323 2.933 0 40 DFAB O=C(NCCc1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2 60317791 GEJFWZRTYQDWFB-UHFFFAOYSA-N 319.307 2.709 0 40 DFAB Cc1nnnn1-c1ccccc1C(=O)NC1CCCCCCC1 71279635 PPLOZTQGLYPFOB-UHFFFAOYSA-N 313.405 2.813 0 40 DFAB C[C@@H](NCC(=O)Nc1ccccc1F)[C@@H]1COc2ccccc21 96014158 QDGBVAJBWHNQSY-OCCSQVGLSA-N 314.360 2.919 0 40 DFAB O[C@H](CCc1ccccc1)CN1CCC(N2CCCC2)CC1 96013708 INOLIDDTHYDPDM-LJQANCHMSA-N 302.462 2.540 0 40 DFAB COCCCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 13548971 MCNWYFBUXLRXHR-UHFFFAOYSA-N 315.398 2.853 0 40 DFAB CCCc1c(C(=O)N2CCCSCC2)[nH]c(C)c1C(=O)OC 65072090 KBANGJNJTMAEFI-UHFFFAOYSA-N 324.446 2.641 0 40 DFAB NC(=O)CCN(C(=O)Cc1ccc(Cl)cc1)c1ccccc1 14020933 XQXMHBJYGRZKFY-UHFFFAOYSA-N 316.788 2.791 0 40 DFAB O=[S@](CCN1CCC(n2cccc2)CC1)c1ccccc1 65625277 SFAGCCXMUMQVDR-NRFANRHFSA-N 302.443 2.933 0 40 DFAB O=C(CC[C@@H]1COc2ccccc2O1)NCCc1ccccc1 5450900 FWDUGAJNJDVLCL-MRXNPFEDSA-N 311.381 2.966 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)Cn1cccn1 97048614 RKNOVEBAOXZTNV-UHFFFAOYSA-N 323.194 2.716 0 40 DFAB COc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 67801175 KMEQFESYHWODBD-CQSZACIVSA-N 306.406 2.794 0 40 DFAB COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1Cl 7428353 KCFPZLDKUFCQHT-UHFFFAOYSA-N 316.766 2.754 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 9576608 SPYWNVALFZYMJA-LLVKDONJSA-N 323.801 2.916 0 40 DFAB O=C(CCc1ccccc1)NCc1nc(-c2ccc(F)cc2)n[nH]1 71858750 FDPAGDIWVJANII-UHFFFAOYSA-N 324.359 2.860 0 40 DFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(O)c1 8288364 SAQOKWVSLCGFCZ-INIZCTEOSA-N 311.337 2.569 0 40 DFAB COc1cnc(C(=O)Nc2ccc(Br)cc2)cc1O 16968422 NDPJKZSCKVASII-UHFFFAOYSA-N 323.146 2.811 0 40 DFAB CSc1ccc(CSCC(=O)NC[C@H]2CCCO2)cc1 69457345 LGFKWFQZSOFXHI-CYBMUJFWSA-N 311.472 2.937 0 40 DFAB CC(C)c1cc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)n[nH]1 69535801 PZVSXUWNZKMDRX-UHFFFAOYSA-N 323.356 2.948 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N(C)CCN2CCCC2)s1 71907599 GCOFSTXXFUKQQD-UHFFFAOYSA-N 318.389 2.826 0 40 DFAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccnc1O 17919099 PTDCFZDEBXQJRK-UHFFFAOYSA-N 310.275 2.779 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@H](n3ccnc3C)C2)cs1 69819842 ADORGXQABLJDLZ-AWEZNQCLSA-N 318.446 2.617 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 72235212 HFARHEBARAHQBX-OAHLLOKOSA-N 320.343 2.650 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)NC1(CO)Cc2ccccc2C1 72313552 ZMOSHENJDXQKQM-UHFFFAOYSA-N 318.323 2.616 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 72867554 MFOIPYFTBPDNQZ-OTWHNJEPSA-N 324.424 2.801 0 40 DFAB O=C(CCc1nc(C2CC2)no1)OCCOc1ccc(F)cc1 84414999 FBQAWIPWNGWYGF-UHFFFAOYSA-N 320.320 2.641 0 40 DFAB O=C(N[C@H](CCCO)c1ccccc1)c1ccncc1Cl 95445706 TZMWGUQNLPXPQI-OAHLLOKOSA-N 304.777 2.979 0 40 DFAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(Cl)cn1 95417746 CFJZXVYHXJYOHG-XHDPSFHLSA-N 304.777 2.977 0 40 DFAB CCOc1ccc(CNC(=O)NCc2ccn(C)c2)cc1C 89267769 RDHTVMQVYWLRIJ-UHFFFAOYSA-N 301.390 2.732 0 40 DFAB CCn1cc(S(=O)(=O)N2CCCSc3ccccc32)cn1 89268557 NWZVDKYAOJMQIG-UHFFFAOYSA-N 323.443 2.594 0 40 DFAB COC(=O)C1(N(C)C(=O)c2ccncc2Cl)CCCCC1 89362688 SNKCUTFQPBMXLZ-UHFFFAOYSA-N 310.781 2.683 0 40 DFAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c(=O)[nH]1 75092504 VSIAWDUHOQWESJ-UHFFFAOYSA-N 312.247 2.660 0 40 DFAB CCC(=O)c1cccc(S(=O)(=O)N(C)Cc2nccs2)c1 89941799 COMRAVFUKMWOPI-UHFFFAOYSA-N 324.427 2.557 0 40 DFAB COC[C@H](O)CNc1nc2cc(C(F)(F)F)ccc2s1 76063363 LRNPVBFRRWEOAU-MRVPVSSYSA-N 306.309 2.734 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@@H](C)CO1 110622695 OPDLMRNIDWKRHD-YKJOPOJSSA-N 315.413 2.851 0 40 DFAB CCn1cc([C@H]2OCC[C@@H]2CNc2cn(C)nc2C2CC2)cn1 1549184542 WOMWNIWLIWLWJL-DYVFJYSZSA-N 315.421 2.704 0 40 DFAB O=C(O[C@@H]1CCSC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 66730395 IXLSDORHCOSYOR-LSDHHAIUSA-N 319.426 2.588 0 40 DFAB Fc1ccc2[nH]c3nc(SC[C@H]4CCCO4)nnc3c2c1 35312221 IAZSWPMMGXTZEK-SECBINFHSA-N 304.350 2.916 0 40 DFAB C[C@](O)(CCc1ccccc1)CNC(=O)c1ccc(F)cc1 62021419 GGBJZKMCPIJTBU-SFHVURJKSA-N 301.361 2.939 0 40 DFAB COc1cc2nc(NCc3cn(C)nc3C)sc2cc1OC 537506994 NPSFHKKENVFBSL-UHFFFAOYSA-N 318.402 2.968 0 40 DFAB Cc1nc(C)c(Cc2nc(CCCc3ccccc3)no2)c(=O)[nH]1 78774574 UMCSBZGYXXIZIP-UHFFFAOYSA-N 324.384 2.536 0 40 DFAB Cc1c(F)cccc1NC(=O)CNC(=O)OCc1ccccc1 73392666 BXTYGYUPAIYIFE-UHFFFAOYSA-N 316.332 2.999 0 40 DFAB Cc1ccc(N2C[C@@H](c3nc(C4CC4)no3)CC2=O)cc1F 38671090 LGFVGYMNWTYQDT-NSHDSACASA-N 301.321 2.915 0 40 DFAB CCC(=O)N1CCC[C@@H](c2cc(-c3cncnc3)cc(C)n2)C1 72353622 IQKRYAXQKRSNKE-CQSZACIVSA-N 310.401 2.963 0 40 DFAB C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)Oc1ccccc1 72821758 VTGHPZAIPKZCDT-ZDUSSCGKSA-N 301.390 2.835 0 40 DFAB COc1ccc2cc([C@@H](C)C(=O)OCCO[N+](=O)[O-])ccc2c1 13975964 GEQMYVUBDGZQAF-LLVKDONJSA-N 319.313 2.703 0 40 DFAB biogenic CC(=O)N1CCCC[C@@H]1c1ccc2c(NC(C)C)n[nH]c2n1 72374574 IAHJJLRUQDIFHG-CQSZACIVSA-N 301.394 2.852 0 40 DFAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)O)cc1OC 41126065 GPJVHKMNJPMSHK-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H](Nc2ccccc2)C1 69705655 SIPCAKLDQLWBKL-ZDUSSCGKSA-N 318.808 2.709 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H]2CC[C@H](O)C2)c(OC(C)C)c1 195578390 BREJBIWASNILPR-HOCLYGCPSA-N 320.433 2.742 0 40 DFAB COc1cccc(Cc2nc(COc3ccccc3F)no2)n1 192710874 BVHMSZHURWUUEU-UHFFFAOYSA-N 315.304 2.782 0 40 DFAB COc1ccc(-c2nnsc2C(=O)OC[C@H]2CCCO2)cc1 223839285 KKDINWQBWFXCSC-GFCCVEGCSA-N 320.370 2.550 0 40 DFAB Cc1ccc([C@H]2CCCCCN2C(=O)CN2CSCC2=O)o1 96414194 QBPWWIXJUDBOJO-CYBMUJFWSA-N 322.430 2.565 0 40 DFAB CCOc1ncc(NC(=O)c2ccccc2F)c(OCC)n1 96098733 YZAGEKAOFYIESM-UHFFFAOYSA-N 305.309 2.665 0 40 DFAB O=C1CC[C@@H]2[C@@H](CCN2Cc2cccnc2)N1c1ccccc1 96056621 BWVMVCUICCRTSR-QZTJIDSGSA-N 307.397 2.852 0 40 DFAB Cc1ccc(CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)s1 96430615 BTQIISJLCVVRLL-JTQLQIEISA-N 312.435 2.976 0 40 DFAB Cc1cc(Cl)c([C@H](C)NCC2(C(N)=O)CCOCC2)cc1C 97238049 AMGUMIWFHFENDZ-ZDUSSCGKSA-N 324.852 2.890 0 40 DFAB COC(=O)c1oc2ccccc2c1OCC(=O)OC(C)(C)C 96510807 NBXCDNWZUAEQCS-UHFFFAOYSA-N 306.314 2.940 0 40 DFAB CC(C)c1cnc(CN(C)C2(CO)CCSCC2)s1 97372979 HVAYAVOTJRIDKT-UHFFFAOYSA-N 300.493 2.956 0 40 DFAB CN1C(=O)C2(CCN(Cc3cccnc3)CC2)[C@H]1c1ccccc1 96100252 YXAMADNAAIGTLX-GOSISDBHSA-N 321.424 2.877 0 40 DFAB O=C(c1cnc(-c2ccccc2)nc1)N1CCOC2(CCCC2)C1 96478015 GGRDCDYVZYGAHX-UHFFFAOYSA-N 323.396 2.929 0 40 DFAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccoc1 253472931 QREIRLZPHHFNRJ-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cncs2)n1 257330052 XMPAKVPKXRQGPO-HNNXBMFYSA-N 317.462 2.640 0 40 DFAB CC(=O)N1CCN(CCC(F)(F)F)C[C@H]1c1ccccc1 257320391 VWPQJTLQZHWXCN-AWEZNQCLSA-N 300.324 2.844 0 40 DFAB COc1ncc(CN2CCC[C@@H]2CCc2ccnc(C)c2)cn1 257318927 VPZKFHFBTLJXJO-QGZVFWFLSA-N 312.417 2.786 0 40 DFAB Cc1c[nH]c([C@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 257299364 RPSYLXPYFRNRCK-QGZVFWFLSA-N 308.385 2.840 0 40 DFAB COc1cccc([C@@H](CNC(=O)Cc2ccc(F)cc2)OC)c1 96389792 ZCMHHEXDWRJRSH-QGZVFWFLSA-N 317.360 2.881 0 40 DFAB CCCCC(=O)N1CC2(CC[C@@H](CN3CCCCC3)CO2)C1 585093682 QQGWPKJRUUBMEK-INIZCTEOSA-N 308.466 2.670 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cn1 29456640 JAYRIRMVBFEFPA-SECBINFHSA-N 306.753 2.578 0 40 DFAB Cc1ncc2c(n1)CN(Cc1nc(-c3ccco3)oc1C)CC2 69453456 NTLCIMHYHAXIRO-UHFFFAOYSA-N 310.357 2.900 0 40 DFAB Cc1ccc2c(c1)S[C@@H](C(=O)N(C)Cc1cc(C)on1)C2 44916564 WPMBYTDLQKOJNK-OAHLLOKOSA-N 302.399 2.967 0 40 DFAB CSc1ccc([C@H](C)NC(=O)CCNc2ncccn2)cc1 52750125 FQCPNRFPDWIPDG-LBPRGKRZSA-N 316.430 2.878 0 40 DFAB COc1ccc(Br)cc1CNC(=O)c1ccco1 58224538 DIBPDEGSHYHNRY-UHFFFAOYSA-N 310.147 2.981 0 40 DFAB Cc1c([C@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)cnn1C 58316306 KDDUNOFPHPMIFF-LBPRGKRZSA-N 321.384 2.677 0 40 DFAB O=C(NCc1cccc(CO)c1)N1CC[C@@H](Cc2ccccc2)C1 74109089 BUQBRGUTNPUYEX-SFHVURJKSA-N 324.424 2.953 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(Cl)c1 77179891 JIPVDSKZHOHXPS-KRWDZBQOSA-N 301.773 2.904 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@H](C)c2ccccc21 77216191 UJCAFKMPDDJZJC-VIFPVBQESA-N 309.325 2.588 0 40 DFAB O[C@]1(CNCc2cc(F)ccc2Br)CCSC1 90188323 SPSCSEKKAFBXBC-LBPRGKRZSA-N 320.227 2.546 0 40 DFAB COC[C@](C)(CCO)NCc1ccc(C)cc1Br 95973540 RNAVWYVMWJSCJA-AWEZNQCLSA-N 316.239 2.635 0 40 DFAB COC[C@@H]1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(C)=O)[C@@H]21 1534691088 RMAVVECILNDQMD-NXOAAHMSSA-N 322.401 2.799 0 40 DFAB Cc1cncc(C(=O)Nc2ccc(Br)cc2F)n1 1888881772 MSFFYIHLMSGKDF-UHFFFAOYSA-N 310.126 2.939 0 40 DFAB CSc1nc(C)c(CCC(=O)Nc2ccccc2C)c(=O)[nH]1 13023948 PSCNYXCZMULFIG-UHFFFAOYSA-N 317.414 2.680 0 40 DFAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 19498885 USRAKVMUDSSLRL-SFHVURJKSA-N 316.445 2.895 0 40 DFAB Cc1cnc(C(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)cn1 12224377 DHKIGRFMTYAFEI-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB Cc1onc(CO)c1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 570105436 YVDKIMBKPVRIPP-LBPRGKRZSA-N 316.357 2.508 0 40 DFAB Cc1cnn(CC2CN(C(=O)[C@H]3CCCc4ccccc43)C2)c1 1848587453 XKASAHHDTHRQKL-SFHVURJKSA-N 309.413 2.770 0 40 DFAB CCOC(=O)c1ccoc1CNc1ccc(C(=O)OC)cc1 14898087 CVOGANMZYINZKM-UHFFFAOYSA-N 303.314 2.855 0 40 DFAB CN1CCCC[C@H]1C1CCN(C(=O)CCc2ccc[nH]2)CC1 1565544431 KNQQFCNIKSWVQI-KRWDZBQOSA-N 303.450 2.670 0 40 DFAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1 2644067 TWJBMVYOJNNAFJ-JTQLQIEISA-N 307.375 2.823 0 40 DFAB COc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)cn2n1 11693468 JJMDMLIZICCABJ-UHFFFAOYSA-N 308.341 2.753 0 40 DFAB Cc1ccc(CS(=O)(=O)NCC2CCN(C(C)C)CC2)cc1 12441476 NWQRDKZXLPUPKE-UHFFFAOYSA-N 324.490 2.535 0 40 DFAB CCn1c(C)nnc1SCCCOc1ccccc1C(=O)O 8731753 FOKKMJLOQLFHIT-UHFFFAOYSA-N 321.402 2.866 0 40 DFAB O=C1CCN(Cc2nnc(-c3ccco3)o2)c2ccccc2N1 72518714 OESXUGHRVWPOMG-UHFFFAOYSA-N 310.313 2.678 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCC(C)(C)CN(C)C 40070006 YTYSFPFGDIYIDO-UHFFFAOYSA-N 319.424 2.862 0 40 DFAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1c(C)cccc1C 51316305 PIYUZKUBQSSCBE-UHFFFAOYSA-N 324.380 2.976 0 40 DFAB CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)nc2[nH]1 101262144 QLPGXQMPWQJSRY-UHFFFAOYSA-N 317.780 2.636 0 40 DFAB CCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)cs1 52835364 IASLFKLIEICZRC-HNNXBMFYSA-N 315.442 2.769 0 40 DFAB Cc1cc(C)n2nc(SCc3noc(C(C)C)n3)nc2n1 52876251 BOMYVHQHDRMNRT-UHFFFAOYSA-N 304.379 2.540 0 40 DFAB COc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1 501928 ZHINQQWNFNXOLW-UHFFFAOYSA-N 300.387 2.673 0 40 DFAB O=C(/C=C/c1ccccc1)OCCn1cnc2ccccc2c1=O 22468314 SVURHLWJPBGZDG-ZHACJKMWSA-N 320.348 2.653 0 40 DFAB biogenic NC(=O)c1cccc(CSc2nnc(C3CC3)n2C2CC2)c1 47438882 GFYUKXHQTWCVIS-UHFFFAOYSA-N 314.414 2.882 0 40 DFAB CCn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 71281050 BPIIUIHBYCAYIF-UHFFFAOYSA-N 301.371 2.736 0 40 DFAB CC(=O)NCCNC(=O)Nc1ccccc1SC(F)(F)F 47863251 FBFFLUSOWHWKJD-UHFFFAOYSA-N 321.324 2.556 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 79024787 DQWJHNYXIHXGIF-OALUTQOASA-N 324.424 2.889 0 40 DFAB CC(C)(C)c1noc(Cn2cnc3ccc(Cl)cc3c2=O)n1 24046745 CUDGXGQZCVRJQE-UHFFFAOYSA-N 318.764 2.779 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1nccs1 105992972 DJZCAOPFMGRPEJ-NWDGAFQWSA-N 309.435 2.502 0 40 DFAB CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 6951778 ITCLDWKKAJULOW-NTEUORMPSA-N 307.309 2.731 0 40 DFAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(F)cc32)cc1 1320526 XTAJQYCNEBJLKF-SFHVURJKSA-N 313.328 2.801 0 40 DFAB O=C(Nc1ccccc1-n1cncn1)c1cc(-c2ccco2)on1 25005443 VUNSWNPTGRULIB-UHFFFAOYSA-N 321.296 2.768 0 40 DFAB O=C(Nc1ccccc1-n1cncn1)c1cc(-c2ccco2)[nH]n1 25006032 VCFUIJRXNWWAGY-UHFFFAOYSA-N 320.312 2.503 0 40 DFAB Oc1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)cc1 55530966 BAFUFBANJZUYNZ-UHFFFAOYSA-N 309.369 2.856 0 40 DFAB CC(C)COC1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 55910690 RZBLFPRIHOYEEK-QGZVFWFLSA-N 303.402 2.654 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 48020402 FBKIZGZJUUJKHB-STQMWFEESA-N 320.389 2.895 0 40 DFAB CCCCCCNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 44246752 WZXNNUQBCZMNEB-UHFFFAOYSA-N 302.382 2.673 0 40 DFAB CCNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 57777475 MUMZOSYNVQRAEL-UHFFFAOYSA-N 321.384 2.753 0 40 DFAB Cc1ccc(C(N)=O)c(OCc2nnc(-c3ccccc3)o2)c1 58065153 PBOAMJUKVNUAGM-UHFFFAOYSA-N 309.325 2.723 0 40 DFAB COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)sc2C)c1 48231048 ZTFIKKUVXJKVKT-UHFFFAOYSA-N 319.382 2.734 0 40 DFAB C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 48250273 RKYIBANAXZTYRD-OKILXGFUSA-N 314.385 2.910 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC1CCCC1 58174350 PBSOJOCFOILHNA-KRWDZBQOSA-N 314.429 2.656 0 40 DFAB CCNC(=O)NC(=O)[C@H](C)SCc1ccc(Cl)cc1 12763170 NRCDVACNYHADCX-VIFPVBQESA-N 300.811 2.807 0 40 DFAB c1cnc(N2CCOCC2)c(CNc2nc3ccccc3o2)c1 44908372 VRTRLUQTTXTMKP-UHFFFAOYSA-N 310.357 2.672 0 40 DFAB CCNc1nnc(SCC(=O)N2CCCC[C@H]2CC)s1 10344531 BOBRQNPJJLYBPT-SNVBAGLBSA-N 314.480 2.853 0 40 DFAB CN(C)[C@H](CNC(=O)CCCOc1ccccc1)c1ccco1 3349180 AYAYPVJNVOWBNT-MRXNPFEDSA-N 316.401 2.858 0 40 DFAB Cc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)on1 28573131 YHBUFSGZOHVKKV-UHFFFAOYSA-N 310.357 2.716 0 40 DFAB CC(C)OC(=O)CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 10667408 IQLITZVCWHYWOQ-LLVKDONJSA-N 309.431 2.944 0 40 DFAB Cc1cc(N2CCN(C(=O)C(C)(C)C)CC2)nc(C(C)C)n1 28410524 JICYBUXHORFCON-UHFFFAOYSA-N 304.438 2.603 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 3510802 YXDHDDSLEFZCAV-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB COc1cccc(NC(=O)NC[C@H](C(C)C)N2CCCC2)c1 12910841 MWOVTSDYOFCAJI-MRXNPFEDSA-N 305.422 2.937 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 101983344 LMJMKTJBFNFKMO-SSDHTEECSA-N 311.259 2.565 0 40 DFAB Cc1ccc(F)cc1NC(=O)CCCNC(=O)c1ccco1 12937378 RQQGYKPPHHWQFC-UHFFFAOYSA-N 304.321 2.876 0 40 DFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O 2661044 JSRMKGKCBGIKCW-QMMMGPOBSA-N 324.789 2.906 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cl)nc2)cc1 2646563 WIIBGYMPZLNYEN-UHFFFAOYSA-N 317.776 2.754 0 40 DFAB FC(F)n1c(CN2CCCC3(C2)OCCO3)nc2ccccc21 84600178 UGTBSUCTGAPZMR-UHFFFAOYSA-N 323.343 2.770 0 40 DFAB Cc1c(C(=O)O)nnn1-c1ccc(Br)cc1Cl 37392468 DAOWDERIBMSXDZ-UHFFFAOYSA-N 316.542 2.690 0 40 DFAB in-vitro COc1ccc(NC(=O)COc2cccc(F)c2)c(OC)c1 3606837 STGJMKCJGBFHLW-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB CC1([C@H]2CCCN(C(=O)NC[C@@H]3CC=CCC3)C2)OCCO1 96010878 NDUONNXZSVTHNF-CABCVRRESA-N 308.422 2.527 0 40 DFAB NC(=O)c1ccc(-c2nc(COC(=O)C3CCC3)cs2)cc1 63952978 XIWPHRRBKACIHR-UHFFFAOYSA-N 316.382 2.752 0 40 DFAB CC(C)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212729 IZUKCJKQLDUACX-UHFFFAOYSA-N 307.444 2.797 0 40 DFAB COc1ccc([C@H]2CCCN2c2ncnc3c2CN(C)CC3)cc1 65474744 LWQKQPRNFIKNPM-GOSISDBHSA-N 324.428 2.815 0 40 DFAB COc1ccnc(N2CCc3ccc(OC(F)F)cc3C2)n1 65401462 VCOUPYPWPINOAI-UHFFFAOYSA-N 307.300 2.649 0 40 DFAB Cc1ccn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1 71513418 HVMQLILODYJRSA-UHFFFAOYSA-N 310.275 2.814 0 40 DFAB COC(=O)c1ccc(OCc2nnsc2Cl)c(OC)c1 65585140 NECWAZDHWHWQQR-UHFFFAOYSA-N 314.750 2.566 0 40 DFAB CCOc1ccc(-c2nnc(SCC(=O)NC3CC3)o2)cc1 5391715 JBCOLVAPMUURDN-UHFFFAOYSA-N 319.386 2.506 0 40 DFAB CCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1C 5353273 GFKWLNWMSMXLBM-NSHDSACASA-N 308.447 2.907 0 40 DFAB O=C(CNC(=O)C1CC1)NCc1ccc(Oc2ccccc2)cc1 65620812 GWFVERFRORGJMF-UHFFFAOYSA-N 324.380 2.621 0 40 DFAB CCCNC(=O)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 14232484 DJFGGAJGQXFSGV-UHFFFAOYSA-N 318.204 2.983 0 40 DFAB CCOc1ccc(OCCCC(=O)Nc2ncccc2O)cc1 5689770 UNQWFXQJALJZDC-UHFFFAOYSA-N 316.357 2.984 0 40 DFAB CCc1cccc(C)c1NC(=O)Cn1ncc(=O)c2ccccc21 7025545 QHOXUZNISXEDBR-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB CC(C)N(CCSc1cnn(C)c(=O)c1Cl)C(C)C 90147489 HOBJYEUVDPDEGI-UHFFFAOYSA-N 303.859 2.645 0 40 DFAB C[C@@H](NC(=O)N(C)C1CC1)c1noc(Cc2ccccc2)n1 80200873 RYZSIDCRQAYCNE-LLVKDONJSA-N 300.362 2.525 0 40 DFAB COc1ccc([C@@H]2C[C@H](c3cccs3)n3nnnc3N2)cc1 15866511 AOLHYDHOXLBAOA-QWHCGFSZSA-N 313.386 2.890 0 40 DFAB O=C(c1nccc2ccccc12)N1CCC[C@@H](N2CCCC2)C1 69347873 PHYWBJPNEIKPBU-MRXNPFEDSA-N 309.413 2.935 0 40 DFAB C[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)N1CCCC[C@H]1C 69384004 VTZWJHWIWUJOCV-ILXRZTDVSA-N 317.433 2.836 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 71870130 NNRYVDQFPYYQOB-AWEZNQCLSA-N 314.389 2.670 0 40 DFAB O=C(CN1Cc2ccccc2C1=O)Nc1ccc2ccccc2n1 69414779 JEXWZYBWURNUMG-UHFFFAOYSA-N 317.348 2.829 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 71870316 JCTDJHGGDHPELF-HNNXBMFYSA-N 316.405 2.548 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 69570479 HFHBRBNKKAFHJB-ZBFHGGJFSA-N 315.417 2.941 0 40 DFAB Cc1ccccc1COC1CCN(C(=O)C[C@H](O)C(C)C)CC1 91952975 TYPMPFVAJIBMDU-SFHVURJKSA-N 319.445 2.910 0 40 DFAB COCCN(Cc1cccc(NC(C)=O)c1)CC(F)(F)F 71900598 QPUFDCWJXBVHHR-UHFFFAOYSA-N 304.312 2.656 0 40 DFAB CNC(=O)CC1CCN([C@@H](C)CCc2cccc(F)c2)CC1 97371351 MZAKDLZKLWQPDG-AWEZNQCLSA-N 306.425 2.995 0 40 DFAB O=C(Cc1ccccc1Br)NCC[C@H]1CCCO1 69818002 HORQEYBBXATTDS-GFCCVEGCSA-N 312.207 2.677 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C)c(O)c1 69843828 PIFUKPPEIOELQV-UHFFFAOYSA-N 309.369 2.860 0 40 DFAB COc1ccc(C2(NCCN3CCCCC3)CCOCC2)cc1 95400258 CUFMSJKFNMBGJG-UHFFFAOYSA-N 318.461 2.776 0 40 DFAB O=C(COC[C@H]1CCCO1)Nc1cc(Cl)c(Cl)cn1 72530163 AARSRHIGNUMRLE-MRVPVSSYSA-N 305.161 2.523 0 40 DFAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1Cc2ccccc2O1 8749221 ZQXBSJBWBAYJFK-CYBMUJFWSA-N 300.383 2.964 0 40 DFAB CC(C)c1cc(NC(=O)c2cccc(N3CCOC3=O)c2)[nH]n1 72036715 UHVVTDALKICZSO-UHFFFAOYSA-N 314.345 2.742 0 40 DFAB COc1ccc(-n2ccc(CN[C@H]3CCCSC3)n2)cc1 97084527 AIQVQWPLAHRMEB-AWEZNQCLSA-N 303.431 2.866 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ncccc1Cl 97046969 GAGJDZCEAROQAN-VIFPVBQESA-N 306.797 2.903 0 40 DFAB C[C@@H]1CN(C(=O)COC2CCCCC2)c2ccccc2NC1=O 72292728 BVXOLUPBJSCLDJ-CYBMUJFWSA-N 316.401 2.957 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@H](c2ccn[nH]2)C1 72282678 AJVKIPWTFOTSQB-XJKSGUPXSA-N 313.426 2.833 0 40 DFAB NC(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 72293701 SVZGKYIYSXNMGI-GJZGRUSLSA-N 314.772 2.725 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 95969651 SMDQSZSACMSELK-VXGBXAGGSA-N 309.312 2.582 0 40 DFAB O=C(c1cc[nH]c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 95982117 CUHSCKJDIGTYNZ-UHFFFAOYSA-N 313.184 2.956 0 40 DFAB CCCn1cc(NS(=O)(=O)C[C@@H](C)c2ccccc2)cn1 89642695 WDSREYITXAVXMB-CYBMUJFWSA-N 307.419 2.839 0 40 DFAB COc1c(Cl)cccc1NC(=O)N1CCC[C@H](C)[C@@H]1CO 89865461 JJZYNGZQZJHSNC-GWCFXTLKSA-N 312.797 2.973 0 40 DFAB CC(C)OC1CCN([C@@H](C)c2nc(=O)c3ccccc3[nH]2)CC1 75607048 RRSZNQVUFJBHLB-ZDUSSCGKSA-N 315.417 2.874 0 40 DFAB Cn1ncc(C(=O)Nc2cccc3cc[nH]c23)c1-n1cccc1 548472818 YWHCPENBTKYQMF-UHFFFAOYSA-N 305.341 2.944 0 40 DFAB CN(C)C1(CNC(=O)Nc2cccc(Cl)c2)CCOCC1 79305967 AIKNDPVSHBKOQX-UHFFFAOYSA-N 311.813 2.572 0 40 DFAB COCCO[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(C)c2C)C1 188798143 XIZTWGAIGMNWEC-HZPDHXFCSA-N 320.433 2.811 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1 79001805 YOWIRVMUXUISKI-HOTGVXAUSA-N 315.417 2.757 0 40 DFAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN(C(C)C)C2)n1 72360155 OVVJNJNRAHBWRH-GFCCVEGCSA-N 318.450 2.968 0 40 DFAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(C(=O)O)nn1 563207940 YTDNLGUGSGKFJW-JQWIXIFHSA-N 301.321 2.696 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cn1 72330280 HXFUSLATSOMFNC-UHFFFAOYSA-N 310.353 2.674 0 40 DFAB CCCCc1noc(C2CCN(C(=O)c3cccnc3)CC2)n1 46087152 MEOCHUKXANLNCQ-UHFFFAOYSA-N 314.389 2.827 0 40 DFAB CC[C@@H](CNC(=O)Cc1c(C)noc1C)Oc1cccc(F)c1 84560993 XBYFGOMDVUXACE-AWEZNQCLSA-N 320.364 2.947 0 40 DFAB COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccc3[nH]c(C)cc3c2)C1 193792240 OAEKMUNNJOUGEP-WCQYABFASA-N 315.373 2.940 0 40 DFAB CCCCc1noc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 46087222 ZAMPNJDRMZEYGL-OLZOCXBDSA-N 307.394 2.645 0 40 DFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 41091194 YHXODRCFBZBZTQ-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB COC(=O)c1ccc(Nc2ccc(OC)cc2OC)c(N)c1 225432570 RIDUJHQQNXVFRT-UHFFFAOYSA-N 302.330 2.816 0 40 DFAB C[C@@H](CNC[C@@](C)(O)c1cnn(C)c1)c1cccc(Cl)c1 195573341 JSJATTAYINAHAY-BLLLJJGKSA-N 307.825 2.674 0 40 DFAB CCC(=O)N1CCC2(CC1)C[C@H](N(C)Cc1ccccc1)CO2 96221034 ZJIBCZHPYJJXRU-KRWDZBQOSA-N 316.445 2.679 0 40 DFAB Cc1nc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)oc1C 96424563 ZLGVICOWUJKIGB-NSHDSACASA-N 309.410 2.733 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)s1 96245923 RITQWSUQBJHOKK-HOTGVXAUSA-N 313.426 2.831 0 40 DFAB CCc1c([C@H](C)NCCS(C)(=O)=O)oc2ccc(C)cc12 96493376 JXZXMOZQEMNUJS-LBPRGKRZSA-N 309.431 2.999 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96039345 QGRVUJFTQLOBQC-GOEBONIOSA-N 309.431 2.796 0 40 DFAB CC(C)[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccccn1 96428102 KVGLOZXQSGYFAJ-HNNXBMFYSA-N 322.434 2.535 0 40 DFAB Cc1ccoc1C(=O)N1CCc2onc(COCC3CC3)c2C1 96085075 SUISLDYMFPRRPV-UHFFFAOYSA-N 316.357 2.701 0 40 DFAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCCC[C@H]1C 96406137 LNDINVFODQVMFI-DYVFJYSZSA-N 300.402 2.755 0 40 DFAB CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2 96038494 QOQPWKXCXCRHQI-WMZOPIPTSA-N 302.418 2.718 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccccc1C 96518647 PEKKKXWKPMSEJJ-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccs1 245281261 ALCMYLPFVYYUPH-HBJVGIJOSA-N 308.447 2.964 0 40 DFAB CC(C)CO[C@H](C)c1noc(CN2CCCC[C@H]2[C@@H](C)O)n1 248160903 LLFQEZLSHYEJPN-MCIONIFRSA-N 311.426 2.539 0 40 DFAB O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1ccn[nH]1 257270944 MWGWECLVXUELJX-KRWDZBQOSA-N 311.385 2.502 0 40 DFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2c2ncccn2)n1 257220910 DMSYKFLJJDOANH-AWEZNQCLSA-N 322.372 2.880 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 257223531 DXUKGTHYTLWPAW-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB CCC(=O)N1CCCC[C@H]1c1cc(-c2nc(C)c[nH]2)nc(C)n1 257285193 PGBAGKQLCLGVGB-HNNXBMFYSA-N 313.405 2.947 0 40 DFAB COc1nsc2nc([C@@H]3CCCN3c3ncccn3)ccc12 257223493 DXPALTAURCLHRE-LBPRGKRZSA-N 313.386 2.831 0 40 DFAB Cc1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cn1 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310.444 2.868 0 40 DFAB COc1cccc(CN2CCN(Cc3ccccn3)[C@@H](C)C2)c1 19575654 LSDJMAJIABREFF-INIZCTEOSA-N 311.429 2.797 0 40 DFAB COc1ccc(/C=C2\N[C@H](c3ccccc3)OC2=O)cc1OC 1563845 FBDVKVMDOVNBFI-QXSWTLKVSA-N 311.337 2.890 0 40 DFAB CCCn1c(C)nnc1CNc1cc2c(cc1F)NC(=O)CC2 155875855 AITRRLDIIPAOGC-UHFFFAOYSA-N 317.368 2.632 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5512005 XXAXLRWIFNQUJA-HIFRSBDPSA-N 313.401 2.864 0 40 DFAB Cc1nc(C(=O)Nc2ncc(C)s2)cc(C(F)(F)F)n1 1888843998 MBDFRPOHBDIBEX-UHFFFAOYSA-N 302.281 2.821 0 40 DFAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)[C@@H]1CC=CCC1 244909780 AVBHEXLGUGPSLI-ZBFHGGJFSA-N 320.458 2.842 0 40 DFAB COc1cccc(C(=O)Nc2nnc(Cc3cccs3)o2)c1 13653419 COCMPLGUJLQEDR-UHFFFAOYSA-N 315.354 2.983 0 40 DFAB Cc1ccccc1NC(=O)Cc1csc(NC(=O)C2CC2)n1 17135975 OOFURKHJXCOJIY-UHFFFAOYSA-N 315.398 2.981 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1Cn1nc(C2CC2)ccc1=O 1775971040 LYVSJAXOQCNOSN-ZDUSSCGKSA-N 319.405 2.520 0 40 DFAB COCCOc1ccccc1CNC(=O)N(C)Cc1ccco1 50128429 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303.383 2.959 0 40 DFAB CNC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 3610051 DQQKIMLLOOFGIE-UHFFFAOYSA-N 312.369 2.681 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1nccc2ccccc12 4968467 KHYCVAOYSKBKJW-UHFFFAOYSA-N 306.321 2.894 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CC=C(c2ccccc2)CC1 5067442 OLHRNAPNWNZCJC-ROUUACIJSA-N 322.408 2.684 0 40 DFAB CN(C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 5122918 KJNHXINFWXPXKH-AWEZNQCLSA-N 315.417 2.766 0 40 DFAB CC(=O)c1cnn(-c2cc(N3CCCC[C@@H]3C)nc(C)n2)c1C 5427126 ZGIQVBZDHONTLL-NSHDSACASA-N 313.405 2.861 0 40 DFAB NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 6648626 OMPLBFRNDJRXKM-GOSISDBHSA-N 322.408 2.763 0 40 DFAB Cc1cnc(C(=O)OCc2ccc(Br)cc2)cn1 6932479 IQKUNFKIIWHQCN-UHFFFAOYSA-N 307.147 2.905 0 40 DFAB CCOC(=O)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 6941637 GQKZZQSIELKEGE-OAHLLOKOSA-N 304.367 2.765 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)/C=C/c1ccccc1 7214542 NFTLSMBWEJTMQV-KADHNRKRSA-N 302.399 2.865 0 40 DFAB COc1cc(CNn2cnnc2)ccc1OCc1ccc(C)cc1 7601160 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O=C(NC[C@@H]1CCCO1)c1cccc(OCc2cscn2)c1 27396016 XUFOSNQCNIVJBD-HNNXBMFYSA-N 318.398 2.631 0 40 DFAB CCC(=O)N1[C@H](c2ccc(Cl)cc2)CSc2nnc(C)n21 27526286 SKVKPJSPYCSHDE-LBPRGKRZSA-N 322.821 2.962 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1 28249572 ODBCRHKRKPMWFQ-UHFFFAOYSA-N 317.370 2.762 0 40 DFAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755209 GIAXNPVDHQLJHQ-SNVBAGLBSA-N 321.427 2.696 0 40 DFAB CSc1ncc(Cl)c(C(=O)N2CCOc3ccccc32)n1 32923099 PIZCDIFKRQOMNG-UHFFFAOYSA-N 321.789 2.891 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1cc(F)ccc1F 40520525 CDCCSPZNYKCMJE-ZETCQYMHSA-N 316.329 2.609 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 42646713 MTXHKFZMSDFYCP-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1ccc2oc(=O)ccc2c1 48365143 CVOQVLCIXZTZTO-UHFFFAOYSA-N 312.325 2.969 0 40 DFAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cnccn1 49409787 QMHUJZNLNIBYFM-UHFFFAOYSA-N 312.398 2.719 0 40 DFAB OCc1nc2ccccc2n1C[C@@H](O)c1cc(F)ccc1F 51092863 IAZVLTFULOLAIC-OAHLLOKOSA-N 304.296 2.540 0 40 DFAB 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DFAB CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 89943576 LGHVYZXBQIVUFX-SUMWQHHRSA-N 313.401 2.880 0 40 DFAB O=C1NC2(CCCC2)N[C@H]1c1ccc(F)c(Br)c1 90661449 TVCPDZXCQAVGBQ-NSHDSACASA-N 313.170 2.619 0 40 DFAB CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccnn1C 93940347 KCSAAPJGNVYXGD-OAHLLOKOSA-N 321.808 2.793 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)c1 95405909 YMCNKEZKHSRHAW-LSDHHAIUSA-N 317.433 2.661 0 40 DFAB CC(C)N1CC[C@H](Nc2ccc(OC[C@H]3CCOC3)cc2)C1=O 95406484 VQTQWMRXTSWPSV-YOEHRIQHSA-N 318.417 2.523 0 40 DFAB Cc1nonc1COC(=O)c1ccc2ccc(Cl)cc2n1 95409383 FKADHXVMKCNUSM-UHFFFAOYSA-N 303.705 2.937 0 40 DFAB C[C@@H]1CCC[C@H](N2CCC(NCCCn3cccn3)CC2)C1 95419818 PCSSIBZRKBXHJJ-AEFFLSMTSA-N 304.482 2.906 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@H]([C@@H](C)O)C2)c(C)c1 95431376 AHLUBSFYFSHVDT-CVEARBPZSA-N 304.434 2.914 0 40 DFAB COc1cccc(Cl)c1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 95447874 RWSXDHHXXKYYII-BBRMVZONSA-N 317.772 2.737 0 40 DFAB CC(C)(C)OC(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 95883809 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CCN1CC[C@H](NCc2ccnc(OCC3CC3)c2)[C@H](C)C1 96477389 MNYWMMGUVMHAIH-PBHICJAKSA-N 303.450 2.690 0 40 DFAB C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 96483991 FEYNKBZKVIZKDC-QZHJKPJSSA-N 308.428 2.631 0 40 DFAB CC[C@](Cl)(C(=O)c1ccc(OC)cc1)S(=O)(=O)CC 96518458 ZGRLUHDBCJYTLK-CYBMUJFWSA-N 304.795 2.658 0 40 DFAB CCC[C@H]1CN(C(=O)c2ccnnc2)CCN1Cc1ccccc1 97034087 DZGAHTHXLLFHDD-SFHVURJKSA-N 324.428 2.603 0 40 DFAB Cc1ncc(CN2CCOC[C@H]2CC(=O)c2ccccc2)s1 97095912 DDZBRNXTQYGDGD-OAHLLOKOSA-N 316.426 2.925 0 40 DFAB CC[C@@H](NCc1nc(-c2cccs2)no1)c1noc(C)n1 97110897 FKRKTULJIXRKPQ-SECBINFHSA-N 305.363 2.730 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1 97144056 AUAFXQWXMKRCAY-QGZVFWFLSA-N 309.369 2.720 0 40 DFAB CC[C@@H](O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97238115 JQPUYNXYUXHQQI-BXUZGUMPSA-N 303.324 2.850 0 40 DFAB CC1([C@@H]2CCCN(C(=O)c3cccc4cc[nH]c34)C2)OCCO1 97372702 FVXYMFPFCKVJBK-CQSZACIVSA-N 314.385 2.783 0 40 DFAB O=C1C[C@H](N2C[C@H]3CCCC[C@H]3C2)C(=O)N1c1ccc(F)cc1 101122832 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MRBDBTRUZKTUBM-LPHOPBHVSA-N 314.429 2.825 0 40 DFAB CN(C)C(=O)c1cnc([C@@H]2CCCCN2C(=O)C(C)(C)C)s1 257272269 NBSGEAXLNSCDSL-NSHDSACASA-N 323.462 2.945 0 40 DFAB Cc1ccc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257278139 OAYWEBXSSQLWGY-MRXNPFEDSA-N 324.428 2.789 0 40 DFAB CN1CCC[C@@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257304592 SMIPZRCIMIIGSG-ZDUSSCGKSA-N 311.385 2.726 0 40 DFAB Cc1cncc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 257308624 TXKYSFPNEKWPQQ-QGZVFWFLSA-N 324.432 2.512 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(Cc2ccc(C)nc2)C1 257329980 XMGJBVFAZNNDQK-HNNXBMFYSA-N 311.433 2.676 0 40 DFAB Cc1nn(C)c2nc([C@]3(C)CCCN(c4cnccn4)C3)ccc12 257333975 YDYRVHLVRDXQQX-GOSISDBHSA-N 322.416 2.625 0 40 DFAB Cc1cc(O)nc([C@]2(C)CCCN2C(=O)c2cccc(F)c2)n1 257334753 YHGKBSLLDZTIQL-KRWDZBQOSA-N 315.348 2.781 0 40 DFAB COc1ccc(F)cc1C(=O)N1CCC[C@H]1c1ccncn1 257336796 YQBJKZBDFPQTHQ-AWEZNQCLSA-N 301.321 2.602 0 40 DFAB C[C@H](C1CCCCC1)N(C)Cc1nnnn1CC(F)(F)F 330031861 FDUKVBFPYPCTDF-SNVBAGLBSA-N 305.348 2.636 0 40 DFAB 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CCCNC(=O)CSc1nnc(C)n1-c1ccc(CC)cc1 6629622 PWNYGRVOUQYZQC-UHFFFAOYSA-N 318.446 2.756 0 40 DFAB CCc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 3489805 QTBKJKVOZQIEGW-UHFFFAOYSA-N 323.348 2.702 0 40 DFAB CC(C)(C)CC(=O)NCc1ccccc1CN1CCOCC1 23955932 ZNQWWZATJIOLQD-UHFFFAOYSA-N 304.434 2.571 0 40 DFAB O=CN[C@H](CSC(c1ccccc1)c1ccccc1)C(=O)O 6574847 QUWUQXPHWCHJIS-OAHLLOKOSA-N 315.394 2.708 0 40 DFAB in-vivo COc1ccccc1C1=NO[C@H](C(=O)NCCc2ccccc2)C1 6738334 ASZHOLKJDFTUAS-SFHVURJKSA-N 324.380 2.547 0 40 DFAB biogenic O[C@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccc(F)cc1 106783836 OSLVXXCTNXZEKA-IAGOWNOFSA-N 303.381 2.610 0 40 DFAB Cc1ccc(CN2CCCN(C(=O)c3ccncc3)CC2)s1 95982476 GMUORHIZMWPRNY-UHFFFAOYSA-N 315.442 2.800 0 40 DFAB CC(C)CCC[C@@H](C)NC(=O)Cc1n[nH]c(=O)c2ccccc12 25344407 PSNJIRKXQWJFKH-CYBMUJFWSA-N 315.417 2.797 0 40 DFAB COc1ccc(NC(=O)NCCCCN2CCCC[C@H]2C)cn1 48018190 UFGVLYQJEMCFFO-CQSZACIVSA-N 320.437 2.866 0 40 DFAB Cn1c(SCC(=O)c2ccccc2)nc2ccsc2c1=O 26100426 BBDDDZHXGYAABW-UHFFFAOYSA-N 316.407 2.970 0 40 DFAB C[C@@H](Cn1ccnc1)NCc1ccc(Br)cc1F 35275110 AVTOKKIBCUALNR-JTQLQIEISA-N 312.186 2.963 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc(Br)c1 3218215 GNRLSAWMJACRTD-KWQFWETISA-N 312.163 2.587 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](C(N)=O)c2ccccc2)C1 108357198 GHVHSASVRDVIQM-AYOQOUSVSA-N 323.440 2.638 0 40 DFAB COc1cc(C(=S)NCc2ccccc2)cc(OC)c1O 9188075 QOIZKIDPTGYDNY-UHFFFAOYSA-N 303.383 2.875 0 40 DFAB O=C(O)[C@@H]1CCCN1c1ncnc2sc3c(c12)CCCC3 57630950 OHAROILTPACKME-JTQLQIEISA-N 303.387 2.624 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(C=O)cc2)CCC[C@H]1C 108850172 YQCXVYNFFOAHAZ-WWGRRREGSA-N 317.385 2.597 0 40 DFAB NC(=O)c1cc(Cl)ccc1NCc1noc2c1CCCC2 108848983 YKAJMGLOQAFBLU-UHFFFAOYSA-N 305.765 2.918 0 40 DFAB Cc1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)o1 58016892 PAKBJGGQCTVVPJ-CQSZACIVSA-N 315.373 2.876 0 40 DFAB Oc1nc(CN2CCCCC2)nc2c1cnn2-c1ccccc1 48274478 UNXUZTQMTHPKRL-UHFFFAOYSA-N 309.373 2.507 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N[C@H](C)[C@H]3CCCO3)cnc21 44951335 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BOSYYRREUKPBTK-CHWSQXEVSA-N 315.417 2.643 0 40 DFAB Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)cc1 421224 JBRNKOORSCLESG-UHFFFAOYSA-N 324.409 2.820 0 40 DFAB CO[C@]12C=C[C@H](CC1)c1c(OC(C)=O)ccc(OC(C)=O)c12 478157 IDPSCUDVMCQJAF-SJKOYZFVSA-N 302.326 2.826 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc(SC)nc1C 78985596 LLYBQAPQQVYLBO-KGLIPLIRSA-N 324.446 2.859 0 40 DFAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 2512012 FCMHQDUEDVBCNC-INIZCTEOSA-N 313.353 2.856 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 3635026 OVPFRCGBPWBEEM-OWSLCNJRSA-N 323.392 2.825 0 40 DFAB Cn1c(SCC(=O)OCc2ccccc2)nc2cccnc21 4852727 RSLABBKGJGOFMN-UHFFFAOYSA-N 313.382 2.804 0 40 DFAB COc1ccc(CCNC(=O)COc2ccccc2F)cc1 6375648 BYDBJZVNTSHCDH-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1 7309574 BDIBFVPBJIHCHX-CYBMUJFWSA-N 305.399 2.777 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 12541924 GKMMEFCCTLLIFJ-UHFFFAOYSA-N 313.281 2.809 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 8140808 LHXKTILASKFLCG-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC(=O)N1CCCC1 56374741 LCXHWPDCCZGARA-GFCCVEGCSA-N 323.824 2.665 0 40 DFAB CN(Cc1ccccn1)C(=O)c1ccc(Br)cc1O 44490728 UZZLTDZHNFIEPP-UHFFFAOYSA-N 321.174 2.822 0 40 DFAB CN1C(=O)c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2C1=O 23386119 JIHHFFNEROBKCH-QJPTWQEYSA-N 312.369 2.677 0 40 DFAB C[C@H]1CCCN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1 10051534 OVKNOSRCPFUVMR-NSHDSACASA-N 324.808 2.782 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N(Cc1cccs1)C1CC1 48286842 IOJDJXDXHRRFEU-LBPRGKRZSA-N 304.419 2.707 0 40 DFAB COCCNc1ccc(CNC(=O)NCc2ccccc2)cc1 58140391 UAYNHKHTHBSVIF-UHFFFAOYSA-N 313.401 2.744 0 40 DFAB O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 44896400 XOGZRKIMTGRCIF-OAHLLOKOSA-N 319.449 2.529 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2cccc3cn[nH]c23)C2CC2)n1 95986946 BMEYDBQPYGVYIN-OAHLLOKOSA-N 307.357 2.542 0 40 DFAB COCCn1cc(NC(=O)c2cc(Cl)ccc2F)ccc1=O 58218689 MSRCTRDKCWWTRA-UHFFFAOYSA-N 324.739 2.540 0 40 DFAB CC[C@@H](NC(=O)N[C@@H](C)c1nncn1C)c1cccc(Cl)c1 44968982 CXLYGZYECPCAIT-GXFFZTMASA-N 321.812 2.980 0 40 DFAB COc1ccc(COc2cccc(F)c2)cc1N[C@@H](C)C(N)=O 58306741 BVOWDYIKUXREKH-NSHDSACASA-N 318.348 2.699 0 40 DFAB CN(C)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1 74809580 IMKLASVFVSHSMK-IAGOWNOFSA-N 312.417 2.863 0 40 DFAB COc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cn1 10990759 OAPAXDJOSMOHJH-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB Cc1ccc(-c2n[nH]cc2[C@H]2NC(=O)CN2Cc2ccccc2)o1 89656137 DKQICRLFFHNISK-SFHVURJKSA-N 322.368 2.609 0 40 DFAB COc1ccc2[nH]c(C)c(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2c1 20188800 VMLGUIRJVNAVEN-TXEJJXNPSA-N 316.401 2.777 0 40 DFAB COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)Nc1cc(C)no1 48326816 YAMCYPXJCUUIKI-QWHCGFSZSA-N 317.389 2.978 0 40 DFAB Cn1cnnc1SC[C@H](O)COc1ccc(C(C)(C)C)cc1 48332609 WMKOTDRBXWDRGR-CYBMUJFWSA-N 321.446 2.645 0 40 DFAB CN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 11781291 ZBYZMWVQYNRFSK-UHFFFAOYSA-N 319.364 2.568 0 40 DFAB Cc1cc2nc([C@@H](NCc3cccnc3)C(C)C)cc(O)n2n1 100217719 DDJXRFWDVOVHOP-KRWDZBQOSA-N 311.389 2.625 0 40 DFAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCCCCC2)n1 58152744 TZBULHCKCGDBSX-GFCCVEGCSA-N 323.462 2.606 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2N(C)C1=O 12125914 UZNGQMPTLLIRGV-SNVBAGLBSA-N 314.316 2.822 0 40 DFAB COC(=O)[C@H](C)SCc1noc(Cc2ccccc2C)n1 83091838 WUUMHXQJXBVDHN-NSHDSACASA-N 306.387 2.764 0 40 DFAB CCOC(=O)C[C@@H](NC(=O)c1ccco1)c1ccc(OC)cc1 3626802 DURHPBLCMSOGFV-CQSZACIVSA-N 317.341 2.713 0 40 DFAB O=C(Nc1ncccc1O)c1cnn(-c2ccccc2Cl)c1 64655654 VWYUGAJVROJCLJ-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB O=C(CNc1ccccc1Cl)NC[C@H]1Cc2ccccc2O1 65533323 OZAILZBFMUTUPD-CYBMUJFWSA-N 316.788 2.872 0 40 DFAB COCCC1(C(=O)N[C@@H](C)Cn2nc(C)cc2C)CCCC1 95414685 GGGFNVPCZDXUNC-AWEZNQCLSA-N 307.438 2.602 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccc(N(C)C)cc1 6623416 UKPMHUUVXPRAMM-UHFFFAOYSA-N 306.387 2.562 0 40 DFAB O=C([C@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCCC1 306139389 SVZWUMDWMZKURD-NSHDSACASA-N 301.415 2.866 0 40 DFAB Cc1c(Cl)ccc2c1N(C(=O)c1ccc(=O)n(C)c1)CCC2 96412324 RXJZMXFXQKBQQH-UHFFFAOYSA-N 316.788 2.940 0 40 DFAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)CCc1cnn(C)c1 96425369 SPCINGTWOCMLMJ-CQSZACIVSA-N 312.417 2.614 0 40 DFAB CC(C)c1ccc(-c2nc(CN3CCNC(=O)C3)cs2)cc1 15479699 YAFIPESFAWFZFU-UHFFFAOYSA-N 315.442 2.865 0 40 DFAB Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)c1C 15831494 HUQYNUPJMLUIFH-HNNXBMFYSA-N 316.401 2.694 0 40 DFAB C[C@H](NCc1ccc(CN(C)C)c(F)c1)C1CCN(C)CC1 90920005 NDDCGECWZWRTEK-AWEZNQCLSA-N 307.457 2.707 0 40 DFAB CNC(=O)c1cnc(/C=C/c2cnn(Cc3ccccc3)c2)s1 69431981 QSDFRZFBRDBORB-BQYQJAHWSA-N 324.409 2.918 0 40 DFAB CCC(CC)C(=O)NC1CCN(CCc2ccncc2)CC1 69453025 SPRABNQCOJQACA-UHFFFAOYSA-N 303.450 2.641 0 40 DFAB CC(=O)NC(C)(C)C(=O)Nc1nc(-c2ccccc2C)cs1 69489158 MIUGAJZIKFUONV-UHFFFAOYSA-N 317.414 2.972 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C)C1 69595665 YOVGHVXHTMLQMP-OAHLLOKOSA-N 302.418 2.764 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 69528985 NNAZCPAYBQNHCJ-CABCVRRESA-N 316.401 2.504 0 40 DFAB O=C1C[C@]2(CCSC2)C(=O)N1Cc1ccc(Cl)s1 89800126 DFEHZXVXKIYUED-LBPRGKRZSA-N 301.820 2.784 0 40 DFAB C[C@H]1C[C@@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)O1 69706442 DMNXRTQQYSFQNK-BJOHPYRUSA-N 304.777 2.883 0 40 DFAB CC[C@@](C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O 97022052 HRHOMTBKKHJOID-HNNXBMFYSA-N 313.419 2.589 0 40 DFAB COc1ccc([C@@H](C)N[C@H](C)CCO)c(Br)c1 97034554 AXBSOBFXHGENMR-NXEZZACHSA-N 302.212 2.879 0 40 DFAB COc1ccc2c(c1)N(Cc1ccc([S@](C)=O)cc1)CCO2 97143306 BFKUINDULLJCAP-JOCHJYFZSA-N 317.410 2.832 0 40 DFAB CC(C)Cc1nnc([C@@H](C)Oc2ccc(N(C)C(N)=O)cc2)o1 75092233 YPYHFAUYKLOXJY-LLVKDONJSA-N 318.377 2.923 0 40 DFAB Cc1cccc2nc(C(=O)NC[C@@H](C)N(C)c3ccccc3)cn12 95949382 BEYUTTDXWYYFGL-OAHLLOKOSA-N 322.412 2.897 0 40 DFAB CC(C)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556487 WBRAAOTYILMOMD-ZSOIEALJSA-N 313.426 2.985 0 40 DFAB COC1CN(C(=O)c2csc(Cc3ccc(C)cc3)n2)C1 507376527 UEPOPIFTBVJUQO-UHFFFAOYSA-N 302.399 2.513 0 40 DFAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306129286 HZLSKKIMJHZCCW-OAHLLOKOSA-N 318.417 2.514 0 40 DFAB CN(C)c1ncc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1 125386736 PSQHZYJIFICZCA-UHFFFAOYSA-N 310.279 2.814 0 40 DFAB COC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1F 212078530 NYHQJEFTLFDFAR-INIZCTEOSA-N 313.328 2.960 0 40 DFAB C[C@]1(C(=O)Oc2ccc(-n3cncn3)cc2)CC1(Cl)Cl 78141185 PFSWNHJVMHOQJT-GFCCVEGCSA-N 312.156 2.757 0 40 DFAB Nc1nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2s1 216778682 YVNHYPKVXDFNSM-UHFFFAOYSA-N 323.374 2.818 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1ccc(O)cc1 1566304444 HBDMGBQLWMFAKB-MRXNPFEDSA-N 322.368 2.501 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCC1CCN(CC(F)(F)F)CC1 187012158 BAEXLHDKXIMAPU-GFCCVEGCSA-N 304.356 2.733 0 40 DFAB O=C(NC1CCN(c2ncnc3ccccc23)CC1)C1CCC1 1057826105 CGHNXSVBJFAPFD-UHFFFAOYSA-N 310.401 2.515 0 40 DFAB Cn1cc(-c2noc(-c3cc(C4CC4)n(C(C)(C)C)n3)n2)cn1 78774344 AAAROXVLYNJINN-UHFFFAOYSA-N 312.377 2.966 0 40 DFAB COc1cc(CCC(=O)Nc2nc3c(s2)CCCC3)on1 79475819 GQVLNNMWTUOKPQ-UHFFFAOYSA-N 307.375 2.590 0 40 DFAB O=C1CCSC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N1 75171239 VKDJMMKKYJWREI-SNVBAGLBSA-N 319.213 2.554 0 40 DFAB COc1ccc(CCC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 46016395 SXHLESVMLYDCEZ-MRXNPFEDSA-N 313.401 2.555 0 40 DFAB CSc1ccccc1C(=O)NCCn1ccn2nc(C)cc12 225578965 AJWNIPYFCFZQSZ-UHFFFAOYSA-N 314.414 2.596 0 40 DFAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 44846820 WEYHNIFXAIXICX-ZDUSSCGKSA-N 315.369 2.960 0 40 DFAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)c1cccc2cn[nH]c12 195551293 YMUGUUYKUGCOPF-OAHLLOKOSA-N 323.352 2.817 0 40 DFAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1CC 222807354 QRDJJQVZQRTRET-HUUCEWRRSA-N 300.431 2.895 0 40 DFAB CCCc1nc(-n2cccc2)sc1C(=O)NCCCOC 49546333 DBKYMZNOMNIKGG-UHFFFAOYSA-N 307.419 2.653 0 40 DFAB C[C@H](O)c1ccc(CCNC(=O)c2cccc(N(C)C)c2)s1 225687083 KDZBCMXHEYFJIB-LBPRGKRZSA-N 318.442 2.840 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225244720 ZORGHWAYEXOHEB-STQMWFEESA-N 308.397 2.868 0 40 DFAB CC(C)(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 96442986 NROOSWXWFXSRIA-OAHLLOKOSA-N 318.417 2.913 0 40 DFAB Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1N 98181624 NOLHWSVJMBRBRD-UHFFFAOYSA-N 305.422 2.630 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccs1 96421624 ALCMYLPFVYYUPH-WVWOOGAGSA-N 308.447 2.964 0 40 DFAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1COc2ccccc21 96467453 UGMVJWBZWSYURU-IAOVAPTHSA-N 311.381 2.791 0 40 DFAB CO[C@H](C)c1nc(CN(C)Cc2nc(C)ccc2O)cs1 91868135 LWKKFKGJWBJILR-LLVKDONJSA-N 307.419 2.892 0 40 DFAB Cc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 98175428 PMMVGVKYXLSWMT-UHFFFAOYSA-N 309.413 2.784 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3ccccc3)CC(=O)N2C)cc1 96181381 AZGQSTHAMWMAOX-IEBWSBKVSA-N 322.408 2.831 0 40 DFAB CC(C)C(=O)N[C@H]1COC2(CCN(Cc3ccccc3)CC2)C1 96224822 CKOSXJPYNNOZDH-QGZVFWFLSA-N 316.445 2.582 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)ccn1 257240503 HTTYRPHSSWMKQW-OAHLLOKOSA-N 323.400 2.768 0 40 DFAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1Cc1cccc(F)c1 257259300 KXSMJDJWOXPXTB-OAHLLOKOSA-N 316.380 2.588 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)cn1 257317617 VKMXPLRJUYTAEF-MRXNPFEDSA-N 310.401 2.726 0 40 DFAB c1cnc(Nc2cc([C@@H]3CCCN3Cc3c[nH]cn3)ccn2)cn1 257254134 KBUKBQDNMIVBQP-HNNXBMFYSA-N 321.388 2.675 0 40 DFAB CNC(=O)COc1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 257219119 DFQLAZWEMKPADC-PZSREKOKSA-N 319.401 2.839 0 40 DFAB CC(C)CC(=O)N1CC2(CC[C@H](CN3CCCCC3)CO2)C1 575406884 WZWWLPNDKJGWMF-MRXNPFEDSA-N 308.466 2.526 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C)n(C)n2)C12CCCC2 71920769 QXCWEMOSYWIPHI-LSDHHAIUSA-N 305.422 2.538 0 40 DFAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 36393851 CKWBXIQKNWKRHV-UHFFFAOYSA-N 322.821 2.590 0 40 DFAB O=C(Cc1ccccc1)N1CCC(c2nnc(C3CC3)o2)CC1 44098414 CUOWKQDMEYEKRY-UHFFFAOYSA-N 311.385 2.896 0 40 DFAB Cc1ccc(CCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 75117628 IGEPLCLEWUIREQ-UHFFFAOYSA-N 322.364 2.916 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)N[C@@H](CCO)C3CC3)c2)o1 76021530 ONDPWQOAJRNKCD-HNNXBMFYSA-N 315.373 2.933 0 40 DFAB CC(C)(C)OC(=O)NC[C@H](Cc1c[nH]c2ccccc12)C(=O)O 206034745 MEBGSWOKWJLJKT-LBPRGKRZSA-N 318.373 2.936 0 40 DFAB Cc1ccc2nc(SCC(=O)O)cc(SCC(=O)O)c2c1 5337721 XNYNNQVFROFGTI-UHFFFAOYSA-N 323.395 2.897 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)n2nnc3ccccc32)c1C 5555540 DZVGAPYZZUHQOA-UHFFFAOYSA-N 315.398 2.902 0 40 DFAB O=C(c1cc(F)cc(F)c1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 13267193 KIKZLGOGMUGXLV-DLBZAZTESA-N 317.335 2.955 0 40 DFAB CCOCCCN1C(=O)/C(=C\c2ccc(C)s2)NC1=S 15258836 BDHNVCKATDZXQP-FMIVXFBMSA-N 310.444 2.541 0 40 DFAB Cc1ccc(-c2cnn3c(O)cc(-c4cnn(C)c4)nc23)cc1 19212980 GWUUKQVGPQHMKT-UHFFFAOYSA-N 305.341 2.811 0 40 DFAB CNC(=O)[C@]1(C)CCCN(Cc2cn(C)c3ccc(F)cc23)C1 19746659 GIXFDWGWZRPHPJ-GOSISDBHSA-N 317.408 2.666 0 40 DFAB CC[C@@H](C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719066 YDKCIOHYBAUJAS-GFCCVEGCSA-N 314.385 2.510 0 40 DFAB CN1CCCC[C@@H]1C(=O)NC1CCN(CC2=CCCCC2)CC1 1003167617 NXKKIWLFXRXZOS-GOSISDBHSA-N 319.493 2.552 0 40 DFAB Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)s1 6816778 JWFAFSCKJYSSEK-UHFFFAOYSA-N 319.411 2.625 0 40 DFAB CCn1ccc(C(=O)N(C)Cc2ccc(Br)o2)n1 72259992 BLCRCSRANPDXOJ-UHFFFAOYSA-N 312.167 2.531 0 40 DFAB CCc1ccc(C(=O)N2CCC3(CCCCN3C)CC2)cn1 1565542201 AVDYZNWYQIXZRM-UHFFFAOYSA-N 301.434 2.735 0 40 DFAB C[C@H](Oc1cccc(F)c1)C(=O)NCCOc1ccccc1 23142291 SCPYMWCMHOVRIE-ZDUSSCGKSA-N 303.333 2.788 0 40 DFAB Cc1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)ccc1Cl 575621040 UTKOFZPECRJROI-UHFFFAOYSA-N 317.776 2.721 0 40 DFAB Cc1cc(N2CCC(NC(=O)c3ccccc3Cl)CC2)n[nH]1 225751587 MSHMJFLEVWBMMS-UHFFFAOYSA-N 318.808 2.770 0 40 DFAB CCN(C(=O)CCNC(=O)c1ccccc1)C1CCCCC1 10463327 SDXAZQDDBWVIDQ-UHFFFAOYSA-N 302.418 2.988 0 40 DFAB CC1=NN(C(=O)CSc2nc3ccccc3s2)[C@](C)(O)C1 135648 VYVNFXRQAHYKGV-CQSZACIVSA-N 321.427 2.705 0 40 DFAB O=C(NCc1ccc(N2CCCCC2)nc1)Nc1nccs1 40553533 OILYMIHOPXVCPU-UHFFFAOYSA-N 317.418 2.850 0 40 DFAB COc1cc(OC)c([C@H]2CC(O)=Nc3n[nH]cc32)cc1OC 20714423 WIONYSIKWFLEKB-MRVPVSSYSA-N 303.318 2.559 0 40 DFAB CN1N=C(C(=O)N[C@@H](c2cccs2)C2CCCC2)CCC1=O 32397268 MIHWQEHILAWKEQ-OAHLLOKOSA-N 319.430 2.704 0 40 DFAB Cc1nc2ccccc2c(=O)n1-c1ncccc1[C@H]1CCCN1C 519687 OROOVPKHQMEVKD-QGZVFWFLSA-N 320.396 2.856 0 40 DFAB biogenic CC(C)Oc1ncc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1Cl 53386223 GVVQDWOVJOGCIK-UONOGXRCSA-N 324.808 2.916 0 40 DFAB Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c3ccccc32)cc1 161452 RUMDQDFESGNVHS-UHFFFAOYSA-N 324.336 2.773 0 40 DFAB O=C(c1cccc(I)c1)N1CCCCC1 368677 VZBNRYSPDWCBGH-UHFFFAOYSA-N 315.154 2.917 0 40 DFAB O=C(O)c1cccc(CSc2nnc(-c3ccncc3)[nH]2)c1 574190 MRPVXIXLHCAQID-UHFFFAOYSA-N 312.354 2.857 0 40 DFAB O=C(COC(=O)/C=C/c1ccccc1Cl)NCc1ccco1 3310313 ZHNWZVHQBYENSA-BQYQJAHWSA-N 319.744 2.806 0 40 DFAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(C=O)cc2)c1 3386356 JNPJDKPNPQDBRE-UHFFFAOYSA-N 311.337 2.911 0 40 DFAB COc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1 3614802 KWLDMXXURJVPES-UHFFFAOYSA-N 315.369 2.951 0 40 DFAB COc1ccc(-c2nnc3n2N[C@@H](c2ccco2)S3)cc1 3843158 LJZWLXFAIFPAHM-CYBMUJFWSA-N 300.343 2.895 0 40 DFAB biogenic COc1ccc(NC(=O)COc2cccc(C=O)c2)c(OC)c1 4201603 NGXJDWKRHFJVHE-UHFFFAOYSA-N 315.325 2.534 0 40 DFAB Cc1cc(C)cc(NC(=O)C2CCN(c3ncccn3)CC2)c1 4965856 DMJDDXNNJKPGHQ-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB O=C(CNCc1cccs1)NC12CC3CC(CC(C3)C1)C2 4969183 NLXZDZZABOLAFW-UHFFFAOYSA-N 304.459 2.923 0 40 DFAB O=C(Nc1ccccc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5194831 NSALFKPMSBACKI-CQSZACIVSA-N 313.332 2.753 0 40 DFAB CCCCCN[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258707 CQRPXAYYJRONTL-CYBMUJFWSA-N 314.332 2.526 0 40 DFAB CCn1nc(C(=O)Nc2cccc(F)c2)c2ccccc2c1=O 5560126 XXTNAWCYRQIMCB-UHFFFAOYSA-N 311.316 2.808 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1COc2ccccc2O1 6309522 DRZZLHMFGUKXQN-SJCJKPOMSA-N 313.353 2.712 0 40 DFAB Cc1ccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1 8924517 DJCFQUBQYCMWPG-OAHLLOKOSA-N 308.381 2.778 0 40 DFAB CC(C)C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1 9115291 DFHSQJCBFQVMAG-CABCVRRESA-N 301.390 2.945 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C 9117695 QYKUWUVVMGGORL-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccccn1 9336429 DMEJINYJVHNHCT-UHFFFAOYSA-N 313.338 2.715 0 40 DFAB CC[C@@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 9503819 XLEAPJCEYFIYSY-LLVKDONJSA-N 315.369 2.575 0 40 DFAB O=C(NC1CCC(O)CC1)c1cc(Br)ccc1F 9513416 NRLQVZIAACMKPZ-UHFFFAOYSA-N 316.170 2.622 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1c(F)cccc1F 9549624 VHVZFSNTLOIRIP-CQSZACIVSA-N 322.311 2.641 0 40 DFAB Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)c(C)c1 10669399 RVWORSVPSGPTDP-UHFFFAOYSA-N 301.415 2.722 0 40 DFAB COc1cccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)c1 12180729 GUXPHUZHHVTGFS-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB Oc1nc(Nc2ccccn2)nnc1Cc1ccc(Cl)cc1 13720409 YXVLVUQIUYYEIV-UHFFFAOYSA-N 313.748 2.960 0 40 DFAB O=C(O)c1cccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 13730328 IJKRJPGPISTCFD-AWEZNQCLSA-N 301.342 2.913 0 40 DFAB COc1cccc2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)oc12 13730752 DNFGDGSIQCFZBF-UHFFFAOYSA-N 307.309 2.992 0 40 DFAB O=C(Nc1nccs1)c1ccc(OCC(F)(F)F)nc1 14105014 YHJRYTRUEYJWFO-UHFFFAOYSA-N 303.265 2.732 0 40 DFAB CCCCc1nn2c(=O)cc(COC(=O)CC(C)C)nc2s1 15734073 CKGUESGPTPJWQB-UHFFFAOYSA-N 323.418 2.583 0 40 DFAB Cc1cc(=O)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)[nH]1 19570116 GYOUIIQDQQSLDD-OAHLLOKOSA-N 302.418 2.970 0 40 DFAB C1CC[C@@H](CSc2nnc(NC[C@H]3CCCO3)s2)OC1 21737813 QOUCLPYEQPCENM-MNOVXSKESA-N 315.464 2.790 0 40 DFAB COc1cc(CCC(=O)N[C@@H](C)c2cccnc2)cc(OC)c1 22692866 LJNBQFRWFSXGFI-ZDUSSCGKSA-N 314.385 2.909 0 40 DFAB CCn1nnc2cc(C(=O)N(C)Cc3ccccc3OC)ccc21 23594130 XJCLCPWKIPJLAU-UHFFFAOYSA-N 324.384 2.732 0 40 DFAB CCCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793292 BWNWPYXSWGPRMD-MRXNPFEDSA-N 323.868 2.545 0 40 DFAB CCn1ncc(Br)c1C(=O)NCc1ccccc1 28223884 UJASNOCQEYYSQJ-UHFFFAOYSA-N 308.179 2.596 0 40 DFAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCCCCC2)cc1 28263063 MBSMATKUFDBHRW-KPKJPENVSA-N 312.413 2.995 0 40 DFAB CCCc1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)[nH]n1 29169767 LPKDSEAKSCURGW-UHFFFAOYSA-N 312.373 2.963 0 40 DFAB Fc1cccc(F)c1CNCc1ccnc(-n2cccn2)c1 30901020 ZUROYRBAFFYWDS-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB Cc1ccc(CNC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)o1 32611150 ZCVBNVIGLCWBNF-JTQLQIEISA-N 315.295 2.989 0 40 DFAB COC1CCN(C(=O)c2csc(Br)c2)CC1 35222349 BNGZMADTMZDEFP-UHFFFAOYSA-N 304.209 2.762 0 40 DFAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)O)ccc1C 37022386 BGTRASPTXAHTTP-CYBMUJFWSA-N 311.403 2.646 0 40 DFAB COc1cccc(C[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1 38528882 OIRZRJJQGUJLHQ-INIZCTEOSA-N 309.362 2.606 0 40 DFAB COCCN(Cc1ccccc1)Cc1cnn(-c2ccccc2)n1 40119966 ZBTBULADKLTNBW-UHFFFAOYSA-N 322.412 2.916 0 40 DFAB O=C(Nc1cc(-c2cccs2)nn1CCO)c1cccs1 42384573 PYFGNLZKEGZADB-UHFFFAOYSA-N 319.411 2.918 0 40 DFAB Cc1ccc(O)c(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 42798827 VPCOAMOSSBGBQJ-UHFFFAOYSA-N 315.760 2.932 0 40 DFAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1nncs1 43130425 PNWQNJSUYIYYLO-UHFFFAOYSA-N 302.281 2.879 0 40 DFAB Cc1cc(C)n(CCNC(=O)c2nc3ccccc3s2)n1 44158840 RJMNDSWDKUJDGJ-UHFFFAOYSA-N 300.387 2.540 0 40 DFAB C[C@@H](NC(=O)NCCc1ccc(Cl)s1)[C@H]1CCCO1 44970903 BBACYFLKANRZBI-MWLCHTKSSA-N 302.827 2.811 0 40 DFAB O=C(NCCSC1CCCC1)c1ccc2c(c1)OCCO2 46450397 LRDGEJDEQSJRRU-UHFFFAOYSA-N 307.415 2.863 0 40 DFAB CCS(=O)(=O)N1CCC(CCc2ccc(OC)cc2)CC1 48287479 XTSCYWSNZJSDRM-UHFFFAOYSA-N 311.447 2.690 0 40 DFAB O=C(COc1ccccc1)NC[C@H](O)c1ccc(Cl)s1 49924845 BDWBSLLVNVKXFE-NSHDSACASA-N 311.790 2.630 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)Cc2c(C)nn(C)c2C)[nH]n1 51439043 ISLXCSVYDMWCNV-UHFFFAOYSA-N 323.400 2.917 0 40 DFAB Cn1ccc(CSc2nc(CCC3CCCC3)n[nH]2)cc1=O 53714592 XOCUYWFXJFOEIU-UHFFFAOYSA-N 318.446 2.919 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)CCCn2cncn2)c1 54148365 WGDZPZOVEGIGSZ-UHFFFAOYSA-N 302.378 2.700 0 40 DFAB CN(C)c1cc(C(=O)Nc2nccn2Cc2ccccc2)ccn1 58157662 RHRWKGKTNWLTKI-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccccc1 58264546 HKDWIACYHVMFOP-MLGOLLRUSA-N 302.349 2.920 0 40 DFAB O=C(NCCc1cccc(F)c1)NC[C@H](O)c1cccc(F)c1 58283582 LKRJMLWYUAPTRD-INIZCTEOSA-N 320.339 2.540 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)[C@@H](c1ccccc1)n1cccn1 58332775 RGLHPPXFLDTRFI-GOSISDBHSA-N 321.380 2.837 0 40 DFAB COc1cc(CNCc2ccc3c(c2)OCCO3)cc(OC)c1 60818497 KIIBZNDWXZHACF-UHFFFAOYSA-N 315.369 2.765 0 40 DFAB C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1F 62162489 DURLVLKMBBEWNP-NSHDSACASA-N 302.305 2.941 0 40 DFAB Cc1noc(CCNC(=O)C2(c3ccc(F)cc3)CCCC2)n1 64315499 UYCNKBISAKKKIH-UHFFFAOYSA-N 317.364 2.688 0 40 DFAB COc1ccnc(N2CCC(c3c[nH]c4ncccc34)CC2)n1 64915206 IDKCBIHYDCBYIO-UHFFFAOYSA-N 309.373 2.746 0 40 DFAB CC(C)(C)c1ncc(NC(=O)[C@H]2COc3ccccc3O2)cn1 65518611 UIYXUIHGGHVJAV-CQSZACIVSA-N 313.357 2.553 0 40 DFAB Fc1cccc(Cc2nnc(SCCn3cccn3)o2)c1 67753542 MBQGUEJIGVYEBF-UHFFFAOYSA-N 304.350 2.788 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(CC(=O)c2ccccc2)CC1 67801066 WHDXZERYUGIYGT-UHFFFAOYSA-N 318.417 2.858 0 40 DFAB Cc1cccc(CCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 69445133 DRXCEFYZVGNBQO-UHFFFAOYSA-N 324.302 2.675 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](n2ccnc2)C1 69699231 MUBUQUOPDDKGQH-HNNXBMFYSA-N 308.385 2.771 0 40 DFAB COc1ccc(CN(C)C(=O)CCc2nc3ncccc3[nH]2)cc1 69813175 ZEDREMNUHUURJQ-UHFFFAOYSA-N 324.384 2.558 0 40 DFAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@@H]1Cn1cccn1 69895675 VNJUZTCUNLFJEL-IXDOHACOSA-N 313.376 2.817 0 40 DFAB COC(=O)CCCN1CCC(c2nc3ccccc3o2)CC1 71910184 AEWCDXZJCVKEJV-UHFFFAOYSA-N 302.374 2.960 0 40 DFAB CSc1nccc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1 72203042 JUXJHGGMLAMLQG-UHFFFAOYSA-N 324.450 2.692 0 40 DFAB Cn1cccc1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 72288772 DHDRQACCNACPSQ-CYBMUJFWSA-N 313.184 2.795 0 40 DFAB Cc1nn(C)cc1C(=O)N1CC[C@H](CSc2ccccc2)C1 76067083 CBZJAJVVCAUCPQ-AWEZNQCLSA-N 315.442 2.983 0 40 DFAB COc1cc(CNC(=O)CCCC/C=C/[C@@H](C)CO)ccc1O 77293455 OCVIWAFGWPJVGZ-HZRUHFOJSA-N 321.417 2.762 0 40 DFAB biogenic,in-vitro CCN(C[C@H]1CCCO1)C(=O)Nc1cc(C(=O)OC)ccc1F 78729395 LJGDSDBYWSKDGG-GFCCVEGCSA-N 324.352 2.645 0 40 DFAB CC[C@@H](C)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC 78772453 YJLQRQWEMRDRRP-WBVHZDCISA-N 303.450 2.941 0 40 DFAB O=C1[C@@H](SCc2nc(C3CC3)no2)CCN1c1ccccc1 78772888 HNRMATQRTRNGCS-ZDUSSCGKSA-N 315.398 2.986 0 40 DFAB COC(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccn1 80481571 GVCIKDJOSQBFFO-ZBEGNZNMSA-N 310.353 2.532 0 40 DFAB Cc1nn(C)c(Cl)c1CN1CCc2c(nc(C3CC3)n2C)C1 84012392 UOPKYCLWHUBGGY-UHFFFAOYSA-N 319.840 2.551 0 40 DFAB CCOc1ccccc1CCNC(=O)N[C@@H](C)C1CCOCC1 89271932 CWUWRSCZTNLHRE-AWEZNQCLSA-N 320.433 2.742 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 89802052 VTCRVSJDNVECSS-ZBFHGGJFSA-N 306.450 2.672 0 40 DFAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1ccc(F)cc1 89894953 MJGJEIDBSJGMIR-SUMWQHHRSA-N 301.361 2.997 0 40 DFAB CCNc1ccnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 91364440 YUVBAFMVJNFWMN-LBPRGKRZSA-N 322.409 2.544 0 40 DFAB COc1cccc(/C=C/CCN2CCCN(C(C)=O)CC2)c1 95408318 GYIRUUZONBXDDB-XVNBXDOJSA-N 302.418 2.653 0 40 DFAB O=C1c2ccccc2C(=O)N1Cc1csc(N2CCCC2)n1 95419013 XQDWZLWNLJJQGY-UHFFFAOYSA-N 313.382 2.540 0 40 DFAB CCn1c(C)nnc1CSc1nc2cnccc2n1CC 95446271 JECBWPSNQALMHD-UHFFFAOYSA-N 302.407 2.663 0 40 DFAB CCCOc1cc(CNC(=O)c2ccncc2Cl)ccn1 95450644 MGZBTFCJULBMRB-UHFFFAOYSA-N 305.765 2.849 0 40 DFAB Cc1cccc(-c2noc(CN3CC[C@H]4CCN(C)C[C@@H]43)n2)c1 95996036 XVMADDGUAGBQAP-ZBFHGGJFSA-N 312.417 2.571 0 40 DFAB c1cc(COC[C@@]23CCCO[C@@H]2CCN(CC2CC2)C3)ccn1 96040204 ZYEGLNDIFPNSDT-MOPGFXCFSA-N 316.445 2.879 0 40 DFAB CC(C)(CNC(=O)CCOC[C@@H]1CCCO1)c1cccc(F)c1 96411092 ZMWHHKSPFZIGTQ-INIZCTEOSA-N 323.408 2.805 0 40 DFAB CC[C@H](Sc1cc(Br)ccc1OC)C(N)=O 96422259 UDHDCADKTCCJQF-VIFPVBQESA-N 304.209 2.814 0 40 DFAB CC(C)(C)c1csc(CS(=O)(=O)c2nccs2)n1 96461495 ZANOTFXINOGDON-UHFFFAOYSA-N 302.446 2.871 0 40 DFAB C[C@H](CN(C)S(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 96472564 OSDCDJZNWLSPSJ-ZBFHGGJFSA-N 311.447 2.621 0 40 DFAB C[C@@H](NC(=O)N1CCCC[C@@H]1CCO)c1ccc(F)c(F)c1 97034258 SECVAQQDPYOWJS-DGCLKSJQSA-N 312.360 2.972 0 40 DFAB O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1cccc2cc[nH]c12 97035961 ZQKXVHBMJLTJHH-OAHLLOKOSA-N 322.364 2.841 0 40 DFAB Cc1ccc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cn1 97038106 FDFDLJCHDJCZRT-CYBMUJFWSA-N 319.430 2.813 0 40 DFAB COC(=O)C[C@H]1CSCCN1Cc1ncc(C(C)C)s1 97108467 HMYOYXJSJCMKBK-NSHDSACASA-N 314.476 2.747 0 40 DFAB C[C@H](Cc1ccccc1)OC(=O)c1cnn(C)c1Br 97164829 WYGYGVHJOPSXQR-SNVBAGLBSA-N 323.190 2.971 0 40 DFAB CC(C)(NC(=O)c1ccccc1)C(=O)Nc1cccc2cn[nH]c12 97237610 BHQQZVKALILCIF-UHFFFAOYSA-N 322.368 2.710 0 40 DFAB O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H](O)C1 97371565 CLGDEQMMNBTWKJ-QMMMGPOBSA-N 306.696 2.540 0 40 DFAB Cc1cc(C(=O)/N=c2/sc3cc(Cl)ccc3n2C)on1 101315102 VNMQIQXLUHHWAI-FYWRMAATSA-N 307.762 2.931 0 40 DFAB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 101452800 YJDQQCHZOSGEJM-OHTBPHCPSA-N 323.270 2.538 0 40 DFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CNCc1ccncc1 102970867 ACVPPKHUYGPGNI-RCCFBDPRSA-N 316.445 2.541 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)C[C@H](O)c2ccc(F)cc2)CC1 133333327 WLEMPTQULYVBAD-QGOKIACBSA-N 322.424 2.675 0 40 DFAB C[C@H](OC(=O)c1ccc(-n2ccnc2)nc1)c1nccs1 195576397 YRXSNPGSHINJFQ-JTQLQIEISA-N 300.343 2.642 0 40 DFAB CC(=O)OC(C)(C)C(=O)N1CCS[C@@H](c2ccco2)CC1 219418143 JOWBOBATSJALIM-CYBMUJFWSA-N 311.403 2.628 0 40 DFAB Cc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)n1 224205102 XZAGEJGHVPHCIE-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB O=C(Nc1cccc2cccnc12)c1cc(N2CCCC2)ncn1 225536313 KMDBHDYBCQSQSG-UHFFFAOYSA-N 319.368 2.877 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@H]2CCCN(C(C)=O)C2)n1 225565899 QWHWBDJEPVSRAC-LBPRGKRZSA-N 324.446 2.710 0 40 DFAB CCOC(=O)CCN(C)C(=O)c1ccc2nc(Cl)oc2c1 225978501 VNFMIEMDJFRZML-UHFFFAOYSA-N 310.737 2.506 0 40 DFAB NNc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 226310282 XRWGGRWSJAVSQR-UHFFFAOYSA-N 302.334 2.973 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cc1 257214099 CKMVIFZGALYXIJ-IAGOWNOFSA-N 314.429 2.865 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCCN([C@@H]2CCOC2)CC1 271458828 WPUWVOLSDHAEHU-OAHLLOKOSA-N 323.824 2.669 0 40 DFAB CC(C)NC(=O)c1nc2c(o1)CCN(CC1CCCCC1)C2 585111478 BFXBCCHYRKMCIU-UHFFFAOYSA-N 305.422 2.751 0 40 DFAB Clc1ccc2ncc(-c3cncc(C4CCNCC4)n3)n2c1 585262903 CXDXZLBAYFKGFX-UHFFFAOYSA-N 313.792 2.912 0 40 DFAB CCN(CC)C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F 1548613661 MAKFVNCBKIHSKF-WPRPVWTQSA-N 304.316 2.673 0 40 DFAB c1cnn([C@@H](CNc2ncnc3cnccc23)c2ccsc2)c1 1775972654 PULVLLOEMDMBJZ-HNNXBMFYSA-N 322.397 2.984 0 40 DFAB CN(C(=O)CC1CC1)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975969 RTLQDBKVWVKAKE-UHFFFAOYSA-N 322.412 2.591 0 40 DFAB O=C1CN(c2nc3ccccc3o2)CCN1Cc1ccccc1 1889029426 KEOXOKUYRCFVHK-UHFFFAOYSA-N 307.353 2.677 0 40 DFAB CC(=O)NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1 2055819282 HVJYFFLNIIXZGX-UHFFFAOYSA-N 300.402 2.627 0 40 DFAB CCSCC(=O)N1CC[C@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056223828 DWEQBAZCHSFUOD-ZBEGNZNMSA-N 322.405 2.508 0 40 DFAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 50518 XNKXPBXDRCMITG-UHFFFAOYSA-N 309.321 2.972 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(C)cc1)C2O 19320196 VNPYPEYZTBYVMY-UHFFFAOYSA-N 300.446 2.792 0 40 DFAB biogenic CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccccc2)NC(=O)N1 357099 HHZBQXODVWIJII-OAHLLOKOSA-N 302.374 2.904 0 40 DFAB C[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccs1 78992953 ZFSAGWQFIKIAJM-SKDRFNHKSA-N 322.352 2.560 0 40 DFAB COCC[C@H](C)NC(=O)N(C)Cc1nc2c(s1)CCCC2 78987819 WLCVLTAJYXMNSZ-NSHDSACASA-N 311.451 2.588 0 40 DFAB CSc1nnc(C)n1NC(=O)c1ccc(OCC(C)C)cc1 6320436 WTAUVRRLKOOQSX-UHFFFAOYSA-N 320.418 2.727 0 40 DFAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC)C2=O)cc1OC 6951290 JRKMLKXTBIKZPQ-IZZDOVSWSA-N 324.764 2.660 0 40 DFAB COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 4702439 UBAVQHWBRJRNOE-GXDHUFHOSA-N 324.336 2.801 0 40 DFAB C[C@H](NC(=O)c1ccccc1Cn1cncn1)[C@H]1C[C@H]2CC[C@H]1C2 105823427 RQECQHDIZNYKAO-YRBFXIGRSA-N 324.428 2.881 0 40 DFAB COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)NC2=S)cc1 6866851 STDMADKCDMQUNF-ZROIWOOFSA-N 314.366 2.859 0 40 DFAB CCCCCC(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O 43283682 BTCGZDNXHNZUKK-GFCCVEGCSA-N 312.435 2.816 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 12540059 YOVKEKKPRRBXOF-NSHDSACASA-N 323.352 2.825 0 40 DFAB NC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1 26757590 CBXCKUJPALZRCG-MRXNPFEDSA-N 318.380 2.751 0 40 DFAB C[C@@H](NC(=O)c1nn2cccnc2c1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101607820 QJKFDLJBQLZEKD-KKOKHZNYSA-N 318.808 2.937 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1nc2ccccc2[nH]1 10356618 CCPIXZCKFUSHHQ-OLZOCXBDSA-N 300.406 2.983 0 40 DFAB CC1CCC(N(C)C(=O)CCNC(=O)c2ccccc2)CC1 12764829 QRGGJRGYCJCKSS-UHFFFAOYSA-N 302.418 2.844 0 40 DFAB CN[C@H](C(=O)c1ccccc1)[C@H](OC(C)=O)c1ccc(F)cc1 36182662 SNSBLQQIOXNVNB-SJLPKXTDSA-N 315.344 2.901 0 40 DFAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC1CC1 58305209 SUSAXOXZFDJLCC-UHFFFAOYSA-N 323.392 2.888 0 40 DFAB CC(C)[C@@H](C)N(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CC1 58392823 KLOJCFDPDRAXDX-GFCCVEGCSA-N 324.446 2.707 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1 3351342 PIDYCAMGXQBCGY-CQSZACIVSA-N 304.415 2.870 0 40 DFAB Cc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1C 28296485 RTFOSJAOIJVFPU-KRWDZBQOSA-N 313.353 2.519 0 40 DFAB Cc1ccccc1OCCCN(C)CC(=O)Nc1nccs1 48363173 YCKTXGHJZIGRTM-UHFFFAOYSA-N 319.430 2.791 0 40 DFAB Cn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(F)ccc21 22236147 KWTJOEQPNVJHEX-UHFFFAOYSA-N 302.349 2.740 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 2419335 POKZHCUAIYONHJ-CQSZACIVSA-N 312.369 2.650 0 40 DFAB Cc1cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)on1 45651723 JLRYVQYOINEXFM-MRXNPFEDSA-N 300.358 2.569 0 40 DFAB O=C(Cc1ccsc1)NCc1ccnc(N2CCCC2)c1 29554196 UOBRBEVSNJAYJT-UHFFFAOYSA-N 301.415 2.602 0 40 DFAB Cc1noc(C)c1CN1CCN(c2ncnc3ccccc23)CC1 29585928 CZANOAGBOHWZJV-UHFFFAOYSA-N 323.400 2.557 0 40 DFAB CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)OCCO2 60273146 SEBSKWKMGMTJGV-UHFFFAOYSA-N 303.280 2.872 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(O)c(Cl)c1 29800465 HAJBSNLFJUBZAN-LBPRGKRZSA-N 305.765 2.587 0 40 DFAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(N)=O 2665120 LSAWNKVQNYLJAR-UHFFFAOYSA-N 320.348 2.852 0 40 DFAB O=C(Nc1cccc(CNc2cccc(F)n2)c1)[C@H]1CCCO1 63248317 JPXIKCCAZROPMY-CQSZACIVSA-N 315.348 2.950 0 40 DFAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1F 408707855 RRRPYGRQAWHJAR-UHFFFAOYSA-N 314.360 2.903 0 40 DFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nnnc3N2)cc1 13121785 ORNSWOUUPNRXFL-HOTGVXAUSA-N 307.357 2.828 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(N)c1 3885357 OXLXBFFFWUZIFQ-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB C[C@]1(CO)COCCN1Cc1coc(-c2cccc(Cl)c2)n1 96004048 XGTPAQQRTKYNHU-INIZCTEOSA-N 322.792 2.578 0 40 DFAB O=C(c1cccc(Oc2cccc(Cl)n2)c1)N1CCOCC1 4105043 BBFUETAKGUCDMC-UHFFFAOYSA-N 318.760 3.000 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCCc1cn2c(n1)CCCC2 65594841 PIGAVELVTKJJQR-UHFFFAOYSA-N 301.438 2.572 0 40 DFAB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H]4CCOC4=O)cc3c2C1 14139561 GLYHLHPMYGKKMH-MGPLVRAMSA-N 313.353 2.765 0 40 DFAB Cc1oc(-c2ccco2)nc1CN1c2ccccc2C[C@H]1C(N)=O 65623313 XMBUZTLHYNUJMW-HNNXBMFYSA-N 323.352 2.660 0 40 DFAB CC(=O)N1CCN(c2ccccc2CNc2ccc(C)cn2)CC1 95427523 GCEGLCIQBPDBDT-UHFFFAOYSA-N 324.428 2.671 0 40 DFAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cc1 4646646 CEVVVIXRBQLFKB-BVIHXZOGSA-N 301.342 2.547 0 40 DFAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1C 83542140 SAXHHQFVUHQREH-ZDUSSCGKSA-N 303.341 2.691 0 40 DFAB O=C(NC1CCC(O)CC1)N(Cc1ccccc1F)C1CC1 67356909 ARAJVXJRGWXHQJ-UHFFFAOYSA-N 306.381 2.803 0 40 DFAB Cc1cc(N2CC[C@H](N[C@H](C)c3sccc3C)C2=O)n(C)n1 90171826 GIDFKTZUALRMEP-OLZOCXBDSA-N 318.446 2.555 0 40 DFAB CC(=O)c1cc(C(=O)N[C@H](C)CC(=O)c2cccs2)n(C)c1 95435152 FGBPATUTNYKRDK-SNVBAGLBSA-N 318.398 2.681 0 40 DFAB Cn1ccnc1CSc1nnc(Cc2ccccc2F)o1 67954679 UNGYSOILUMKDKM-UHFFFAOYSA-N 304.350 2.825 0 40 DFAB O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2 9575584 SWXCDMQFYSVGDM-UHFFFAOYSA-N 317.410 2.811 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccco1 7910676 IGPVVGGXHOLTLX-UHFFFAOYSA-N 309.369 2.941 0 40 DFAB COCc1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1 8134181 KBBHXTAABLXWCJ-UHFFFAOYSA-N 315.369 2.780 0 40 DFAB C[C@H]1CCC[C@@H](N2CCC(NCCCn3cccn3)CC2)C1 95419821 PCSSIBZRKBXHJJ-FUHWJXTLSA-N 304.482 2.906 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2cccs2)CC1 71835134 BPHDIMWJTDMXDT-GJZGRUSLSA-N 316.426 2.789 0 40 DFAB CCO[C@H](C)C(=O)NCc1ccc(Oc2ccccc2)nc1 69322623 IPFZTHZDGJXQTJ-CYBMUJFWSA-N 300.358 2.915 0 40 DFAB Cc1cc(CN2CCN(Cc3cccc(F)c3F)CC2)no1 69440938 GYORLPGWRKOYTA-UHFFFAOYSA-N 307.344 2.579 0 40 DFAB C[C@H](OC(=O)c1cccc(N)c1)C(=O)N[C@@H](C)c1ccccc1 71842149 ANFQBTVUOLYTKE-STQMWFEESA-N 312.369 2.692 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1OC 69656238 JEMLRNRUGMGFQF-OLZOCXBDSA-N 308.447 2.846 0 40 DFAB C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 71819469 NZXLAMNDIWVXHA-GFCCVEGCSA-N 318.808 2.582 0 40 DFAB Cc1nc(CN2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cs1 69770050 XFSHIKIIOMSLJM-OAHLLOKOSA-N 319.474 2.842 0 40 DFAB Cc1nc(CC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cs1 71827264 TYRQJPVGDVYNFH-LRDDRELGSA-N 316.426 2.983 0 40 DFAB COc1cccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)c1 8699182 ZFHOJYCXBWSOAW-ROUUACIJSA-N 311.381 2.995 0 40 DFAB CC(C)(C)c1ncsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95447863 IGYKLPVGNJNNHQ-QWHCGFSZSA-N 316.426 2.829 0 40 DFAB OC[C@@]1(NCc2ccc(-n3ccnc3)cc2)CCc2ccccc21 95429781 BFYPFNHWSHCNKN-FQEVSTJZSA-N 319.408 2.796 0 40 DFAB C[C@@]1(CCc2ccc(O)cc2)NC(N)=Nc2nc3ccccc3n21 72277208 NNXCCJYYZIQZHE-GOSISDBHSA-N 321.384 2.597 0 40 DFAB CN(C(=O)c1cc(F)cc2[nH]cnc12)c1ccc2c(c1)OCO2 89365373 KCVLXGGWSHNYLR-UHFFFAOYSA-N 313.288 2.707 0 40 DFAB O=S(=O)(CCNC[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 89828030 AJHSCSKYCZGSNQ-SJLPKXTDSA-N 315.438 2.854 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)Nc1nc(-c2ccco2)cs1 89938238 ACLSKLVWAFCVEB-SNVBAGLBSA-N 306.391 2.571 0 40 DFAB COc1ccccc1C(=O)N[C@@](C)(Cc1ccccc1)C(=O)O 89904167 ZWHMASIXTPAJNN-SFHVURJKSA-N 313.353 2.511 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1Cl 75568100 XYAIWLHQBZVPRV-GFCCVEGCSA-N 322.748 2.891 0 40 DFAB COCCCCCN1CCC(C(=O)NC2CCCCC2)CC1 76016834 BAPFYRMSLNFBMB-UHFFFAOYSA-N 310.482 2.964 0 40 DFAB C[C@H](C1CC1)N(C(=O)NCCc1cn2c(n1)CCCC2)C1CC1 73719440 GLTROCORRRZGIF-CYBMUJFWSA-N 316.449 2.734 0 40 DFAB O=C(Nc1ccc(Cl)cn1)c1ccnc(C2CCNCC2)c1 72365693 BMLCXFOQUAABGJ-UHFFFAOYSA-N 316.792 2.849 0 40 DFAB CC[C@]1(C)CN(C(=O)NC[C@@H](C)c2c(C)noc2C)CCO1 188228440 PRGNVCIAIRPCLJ-BDJLRTHQSA-N 309.410 2.605 0 40 DFAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCNC1 72394518 PMMGRYDZWGSQOZ-GOSISDBHSA-N 314.385 2.817 0 40 DFAB Cc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 31735729 IAYTZWZGTKRUEE-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB CCCOc1ccc(S(=O)(=O)n2cccn2)cc1OCCC 72414208 ANQFPGGDSOQBSV-UHFFFAOYSA-N 324.402 2.698 0 40 DFAB Nc1ccc2c(c1)C=NCCN2C(=O)Cc1ccc(Cl)cc1 73642306 UZDHMDYYOGPXLZ-UHFFFAOYSA-N 313.788 2.930 0 40 DFAB Cc1ccc(CNC(=O)c2ccn(COc3ccccc3)n2)o1 32647933 UKAIYLUZBFBPRQ-UHFFFAOYSA-N 311.341 2.751 0 40 DFAB COCC(=O)N1CCC[C@H](c2nc(C)n3c(C)c(C)sc23)C1 72351268 AUNMHQYVWXPMMO-ZDUSSCGKSA-N 321.446 2.673 0 40 DFAB CNCC(=O)N1CCC[C@H]1c1cccc(Oc2ccccc2)n1 72363320 IELCDYGUFNJSNU-INIZCTEOSA-N 311.385 2.757 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)no1 73252038 OIGNRJFJMASLTJ-LBPRGKRZSA-N 308.341 2.931 0 40 DFAB Cn1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 72703528 XSVCEOGORHCNJF-UHFFFAOYSA-N 304.353 2.985 0 40 DFAB Cc1ccnc(NCc2ccccc2CN2CCC[C@@H]2CO)c1 225514226 RCPBIJBIDHMXPO-GOSISDBHSA-N 311.429 2.959 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc(CC(C)C)no2)on1 40714946 SUAKPAPBJCZZAE-LBPRGKRZSA-N 318.377 2.932 0 40 DFAB CC[C@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c12 575444507 NLMATDJYFCBUNC-IINYFYTJSA-N 319.405 2.791 0 40 DFAB Nc1nn(-c2ccccc2Br)nc1C(F)(F)F 89262572 DADKLEIPCUXDSE-UHFFFAOYSA-N 307.073 2.631 0 40 DFAB Cc1cnc(NC(=O)CN2C(=O)CCCc3ccccc32)s1 227168860 YCFXFTHFALDDLS-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)Nc2c(C)noc2C)c(C)o1 96434392 FXVKBYORCKXYQZ-HNNXBMFYSA-N 307.350 2.530 0 40 DFAB CCSc1cc(Cl)ccc1C(=O)N1CCn2cnnc2C1 97377978 DNRALVJZWZZGJI-UHFFFAOYSA-N 322.821 2.700 0 40 DFAB Cc1ccc(CN2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)o1 96042425 UGLBFCYTDOSLPB-KURKYZTESA-N 314.385 2.794 0 40 DFAB C[C@@H](C(=O)Nc1ccc(N2CCSCC2)cc1)n1cccn1 96422400 BXPWWXPPZYWKIZ-ZDUSSCGKSA-N 316.430 2.636 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C)n3)CC(=O)N2C)cc1 96181315 VILOWTRXJINXJG-MAUKXSAKSA-N 323.396 2.857 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CN1C(C)C 96051747 RAIIRDXJPXZERH-KRWDZBQOSA-N 306.450 2.991 0 40 DFAB Cc1nncn1CCNC(=O)C1(c2cccs2)CCCCC1 96445364 MBWPXSYOJYGZKI-UHFFFAOYSA-N 318.446 2.666 0 40 DFAB CC(C)c1nccn1-c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2 95096734 UGBLRFDWSMSOMY-UHFFFAOYSA-N 324.793 2.705 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)/C=C/c1ccco1 96431654 QBUOVGQGJHTRAQ-LXKVQUBZSA-N 301.342 2.885 0 40 DFAB O=C(c1ccccn1)N1CC[C@H](Oc2cccc3cccnc23)C1 253393989 AMMBVSIFIMRWRK-HNNXBMFYSA-N 319.364 2.923 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 253388606 CIQUPAWEZPCODJ-TUKIKUTGSA-N 303.358 2.539 0 40 DFAB Cc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)n1N 22024855 DSPUYZNTPJCRTB-UHFFFAOYSA-N 309.704 2.519 0 40 DFAB CCOCC[C@@H]1CCOC12CCN(C(=O)C1CC=CC1)CC2 253387027 YWBOUQNKIHCJSO-MRXNPFEDSA-N 307.434 2.777 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)n1 257270084 MSRSBHDAUARINC-NSHDSACASA-N 322.796 2.698 0 40 DFAB CNc1cc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)ccn1 257260634 LDRRUAUEVKRKAV-HNNXBMFYSA-N 323.462 2.923 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 252516208 QNIDNHUFECBVGI-ZWKOTPCHSA-N 310.397 2.979 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)s1 257217326 CYMCXOFXUKCHDY-RDJZCZTQSA-N 321.490 2.826 0 40 DFAB CNC(=O)c1cnc([C@H]2CCCCN2c2ccccn2)s1 257337132 YRNNSDLXEBBHCA-LLVKDONJSA-N 302.403 2.629 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C2CCOCC2)c1 96123328 GFSKKFJEAVQQHV-UHFFFAOYSA-N 324.384 2.897 0 40 DFAB COc1ccc(C(=O)N2CCCC2)cc1NCc1cc(C)on1 63283837 QHKAZNWZGNBLFN-UHFFFAOYSA-N 315.373 2.840 0 40 DFAB COCc1ccc([C@H]2CCCN2[C@@H](C(=O)O)c2cccnc2)o1 568758174 JNHQMJWZXNIUSC-GDBMZVCRSA-N 316.357 2.784 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1 575405197 XAXNASNNFFMIAQ-BPLDGKMQSA-N 309.475 2.936 0 40 DFAB Cc1cccc(OC[C@@]2(O)CCN(Cc3cccnc3C)C2)c1 585273266 BMLOVDOJSKINGA-LJQANCHMSA-N 312.413 2.714 0 40 DFAB COc1cccc(CC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 40108329 ISCTZBMOIZNFQB-PBHICJAKSA-N 305.418 2.949 0 40 DFAB COC(=O)Cc1csc(N(C)C(=O)c2cc(C)sc2C)n1 75612657 FZGRBPAALLVOEH-UHFFFAOYSA-N 324.427 2.814 0 40 DFAB CCCC(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 38890918 PPVQSBDPBLGEGP-UHFFFAOYSA-N 319.430 2.847 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)ccn1 79001770 YJUFIMCPHBTSSE-AWEZNQCLSA-N 313.357 2.616 0 40 DFAB Cc1nn(C)cc1CNC(=O)COc1ccccc1C(C)C 548465868 GCWRBEXWZGEGCQ-UHFFFAOYSA-N 301.390 2.547 0 40 DFAB Cc1cc(N2CCN(Cc3c(F)cccc3Cl)CC2)ncn1 301260775 SGGBNYQUSRZZGP-UHFFFAOYSA-N 320.799 2.900 0 40 DFAB C[C@H](NCCN1CCCC1=O)c1cccc(Br)c1 95984417 LQTFHPRPROIETH-NSHDSACASA-N 311.223 2.722 0 40 DFAB COc1cccc(-n2nnc(C(=O)O)c2-c2ccc(C)cc2)c1 11760454 NJCSUARITMJFCZ-UHFFFAOYSA-N 309.325 2.950 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 13624510 KUSFMKSCARXUTK-UHFFFAOYSA-N 319.401 2.889 0 40 DFAB O=C(c1ccccc1F)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 169354279 ZWQFPOZFWKRNRG-ARFHVFGLSA-N 314.404 2.796 0 40 DFAB COc1ccc(/C=C/C(=O)NCCCOC(C)C)cc1OC 6328071 PPZNHGFGCRVGCT-VQHVLOKHSA-N 307.390 2.648 0 40 DFAB CN(CCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccccc1 24874913 YDBAHVZRWWTLRR-INIZCTEOSA-N 318.804 2.877 0 40 DFAB c1ccc(CN2CCCc3cccc(n3)CCCOCC2)nc1 2037978082 XGCURUDCDWQPSY-UHFFFAOYSA-N 311.429 2.874 0 40 DFAB CC(C)Oc1ccc(C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 10220464 QSUMBICCXYMTOQ-INIZCTEOSA-N 319.401 2.889 0 40 DFAB CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)O1 2055824356 FKELGHCOIMYVHY-YWTNHNAXSA-N 322.493 2.915 0 40 DFAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)s1 1492015 QKQLMNATBNLYIT-UHFFFAOYSA-N 306.730 2.537 0 40 DFAB COc1c(NC(=O)[C@@H](C)CCOc2ccccc2)c(C)nn1C 73095322 KBNLCZQBJGLSKX-LBPRGKRZSA-N 317.389 2.781 0 40 DFAB CC(C)[C@@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCCC1 40092482 UHOJBWDGNTUKFD-CQSZACIVSA-N 317.389 2.785 0 40 DFAB COC(=O)CNC(=O)/C=C/c1ccc(-c2ccccc2F)s1 40052406 CUDCYWNMBQCGSA-VQHVLOKHSA-N 319.357 2.857 0 40 DFAB C[C@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccs1 40477704 OQUVVZIMXAARRQ-JTQLQIEISA-N 314.374 2.607 0 40 DFAB CCOC(=O)c1cnc2ccccc2c1N1CCC[C@@H](CO)C1 50928392 ZKXJMMWCTQKZLE-CYBMUJFWSA-N 314.385 2.620 0 40 DFAB COC(=O)c1ccc(F)c(NC(=O)[C@@H](C)OCC(F)(F)F)c1 31717926 YBXWMNBJFBMQII-SSDOTTSWSA-N 323.242 2.518 0 40 DFAB C[C@H](CO)NC(=O)Nc1ccc(Br)cc1Cl 40526598 HVRWEBADFKCZTN-ZCFIWIBFSA-N 307.575 2.605 0 40 DFAB c1ccc(CN2CCc3c(sc4ncn5ncnc5c34)C2)cc1 20567167 DALHNQRBGPSWCY-UHFFFAOYSA-N 321.409 2.897 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 32406444 LIYKJYDVYXUJQK-CQSZACIVSA-N 321.373 2.936 0 40 DFAB CSc1nc2ccc(Nc3ccc4nnnn4n3)cc2s1 32871851 UOAMQLVDYAJLCV-UHFFFAOYSA-N 315.387 2.595 0 40 DFAB C[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)c2ccccc2S1 22258007 XCAFYMRQBDFSIQ-LLVKDONJSA-N 317.414 2.512 0 40 DFAB CN(C)c1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 41825944 DICBFAYHUGUXRW-KRWDZBQOSA-N 309.369 2.884 0 40 DFAB O=C(O)C1=C[C@@H](c2cccs2)n2nc(-c3ccccc3)nc2N1 12389004 NVVZCCKTWCGBID-LBPRGKRZSA-N 324.365 2.990 0 40 DFAB CCC(=O)c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 560817 MCKFEEMHQUEWTP-CYBMUJFWSA-N 314.385 2.529 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 77818632 FIGULVLBIFURCE-ZIAGYGMSSA-N 306.381 2.698 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)c1ccccc12 79031195 BAJKPBFRCUBTSO-UHFFFAOYSA-N 316.401 2.699 0 40 DFAB in-vitro COc1ccc(C(=O)Nc2noc3nc(C)ccc23)cc1OC 23128134 RKIXUIPJEOGPTG-UHFFFAOYSA-N 313.313 2.801 0 40 DFAB COc1cc(CNCCc2ccc(OC)c(OC)c2)ccc1O 2192198 HNOKLCBYHTXHRK-UHFFFAOYSA-N 317.385 2.750 0 40 DFAB biogenic O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(Cl)cc1 2697453 XUFMAZVLSUTPOP-CYBMUJFWSA-N 322.748 2.505 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 4263715 XUUMJMMQAPWYAE-ZQIUZPCESA-N 305.418 2.607 0 40 DFAB CCOC(=O)c1ccc(NCCc2cn3ccccc3n2)nc1 24056022 PBCKTDBFQGHBHF-UHFFFAOYSA-N 310.357 2.561 0 40 DFAB COc1ccc(-c2noc(CCC(=O)NC(C)(C)C)n2)cc1 4384079 RREAAHTWNVCJLR-UHFFFAOYSA-N 303.362 2.593 0 40 DFAB Cc1ccnc(NC(=O)c2cccnc2OCC(F)(F)F)c1 24567634 VJYPMYAXXRLPHT-UHFFFAOYSA-N 311.263 2.978 0 40 DFAB Cn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O 24631846 CBWQBLJBUIVXHA-UHFFFAOYSA-N 318.423 2.746 0 40 DFAB C[C@@H](OC(=O)Cc1ccccc1F)C(=O)Nc1ccccc1 7562337 PFUOKQAFXZEQLX-GFCCVEGCSA-N 301.317 2.939 0 40 DFAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 7928720 MGKHFBFJIIELAO-HNNXBMFYSA-N 323.348 2.848 0 40 DFAB COC(=O)COc1cccc(NC(=O)Cc2ccc(C)cc2)c1 24951484 YCINXWYAHRJUIM-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB COC(=O)[C@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 1425865 BMLODJWLGZXGBZ-QGZVFWFLSA-N 311.337 2.932 0 40 DFAB CC(C)[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(F)cc1 44372886 FPBUOQCAJFHSHA-XJKSGUPXSA-N 306.381 2.507 0 40 DFAB CCCn1cc(NC(=O)/C=C/c2csc(C)n2)ccc1=O 58244507 KJVZBSDEZVPUMY-GQCTYLIASA-N 303.387 2.675 0 40 DFAB Cc1nc(/C=C/C(=O)NC[C@@H]2CCCN(C(C)C)C2)cs1 58378222 JHEDSZYRMKGAOC-UZYOAWRESA-N 307.463 2.701 0 40 DFAB Cc1nc(-c2ccccc2)sc1CN1C(=O)NC(C)(C)C1=O 58380759 CHLVQGULTKONOT-UHFFFAOYSA-N 315.398 2.949 0 40 DFAB c1ccc2c(c1)SCC[C@@H]2NC[C@@H]1CNc2ccnn2C1 58356051 HGIFFDRONCECBY-OCCSQVGLSA-N 300.431 2.752 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)c1ccccc1 58419721 AZTLNVSILIJKAX-MEDUHNTESA-N 321.323 2.582 0 40 DFAB CCN(CC)Cc1ccc(CNC(=O)N2CCSCC2)cc1 45181775 DJKISCATFRDAAC-UHFFFAOYSA-N 321.490 2.787 0 40 DFAB O=c1ccnc2sc(N3CCC[C@@H]3/C=C/c3ccccc3)nn12 95468395 ALHFEYUMNIAGBK-MYSGNRETSA-N 324.409 2.833 0 40 DFAB COc1cc2nc(C)sc2cc1NC(=O)NCc1ccon1 95406284 XMJPCTWUWCGNGL-UHFFFAOYSA-N 318.358 2.923 0 40 DFAB CSc1ccc(CNc2cccc(C(=O)NCCO)c2)cc1 95428948 ZVIWMWJCOMYQNH-UHFFFAOYSA-N 316.426 2.743 0 40 DFAB Cc1ccc(F)cc1NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 95458164 AMGDUSYXEBHZKU-CJNGLKHVSA-N 308.353 2.594 0 40 DFAB CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCC(F)F 95439628 HQIPFBCTYRGOSZ-UHFFFAOYSA-N 314.332 2.957 0 40 DFAB CC(C)Oc1ccccc1NC(=O)N1C[C@H](C(N)=O)CC[C@H]1C 95446504 PZVKSLCVLBPMNY-CHWSQXEVSA-N 319.405 2.592 0 40 DFAB CC(C)(C)c1cnc(Cn2nnc(-c3cccc(F)c3)n2)o1 48364892 DVBRUASUOBUWFK-UHFFFAOYSA-N 301.325 2.813 0 40 DFAB COc1cccc(CCNC(=O)c2cc3ccccc3c(=O)[nH]2)c1 48300273 AQMBDQKTWHOKRQ-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)c1cnn(C)c1 95435346 BIOKODXSSFGNGG-LLVKDONJSA-N 323.343 2.788 0 40 DFAB Cc1nc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc2o1 12879525 QVOLWVDUVMLJBZ-NEPJUHHUSA-N 300.314 2.742 0 40 DFAB CCN(CC)c1ncc(CNC[C@H](O)c2ccccc2)s1 37257305 POGSGSVXMWZWJY-HNNXBMFYSA-N 305.447 2.813 0 40 DFAB C[C@@H](NC(=O)COC(=O)Cc1ccccc1F)c1ccccc1 3425389 JPVOIHGMZUMAFW-CYBMUJFWSA-N 315.344 2.789 0 40 DFAB CCOc1ccc2oc(C(=O)OCC(=O)NC3CC3)c(C)c2c1 3434250 CIPCOPLPRQHSES-UHFFFAOYSA-N 317.341 2.575 0 40 DFAB CCCOc1c(Cl)cc(C(=O)NCCOC)cc1OC 23982643 NXQZKVYASHOGPY-UHFFFAOYSA-N 301.770 2.514 0 40 DFAB Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1F 12917776 ORPUSSALDRZFEL-UHFFFAOYSA-N 304.321 2.876 0 40 DFAB O=C(NC1(c2ccccc2)CCC1)c1cnc2ccccn2c1=O 49617988 GEAIPXYLTHIJMC-UHFFFAOYSA-N 319.364 2.504 0 40 DFAB CCCCCCNC(=O)c1c(N)oc2cc(OC)ccc2c1=O 5031574 DGIDWZIKWWSZDG-UHFFFAOYSA-N 318.373 2.694 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1n[nH]c2ccccc12 5264676 PSVFUSSUDGSRKL-OAHLLOKOSA-N 324.384 2.723 0 40 DFAB O=C(C[C@@H](NCc1cccs1)C(=O)O)c1ccc(F)cc1 6473067 FQYXAANDOIMSLS-CYBMUJFWSA-N 307.346 2.703 0 40 DFAB Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1CCCC1 4501088 DBESHXKRGSMXPB-ZDUSSCGKSA-N 316.430 2.679 0 40 DFAB CCCNC(=O)[C@H](C)NCC1(c2ccccc2C)CCOCC1 89960154 ZFZNQIDDSBYDDQ-INIZCTEOSA-N 318.461 2.548 0 40 DFAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 6588867 CFRMOMYXWJUJGV-HNNXBMFYSA-N 324.490 2.747 0 40 DFAB COC(=O)C[C@H](NC(=O)c1oc(C)nc1C)C1CCCCC1 74092739 MNMMWFWOADKTPZ-ZDUSSCGKSA-N 308.378 2.533 0 40 DFAB Cc1c[nH]c(CN(C)C(=O)c2cnc(Nc3ccccc3)nc2)n1 65395769 HYXQSNYEFAHVFD-UHFFFAOYSA-N 322.372 2.524 0 40 DFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cccn2)cc1 6939369 CZHJMCCIJAYCNX-UHFFFAOYSA-N 319.430 2.826 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 5935058 FCABDGBPCKTAPJ-LBPRGKRZSA-N 318.398 2.712 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 15334360 AWIWWBQGQZQTFJ-UHFFFAOYSA-N 324.377 2.784 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)C 7265325 WWRVOTOPCOTORG-UHFFFAOYSA-N 324.446 2.764 0 40 DFAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1c(C)nn(C)c1C 7214997 XWMUITGTSKYEDU-UHFFFAOYSA-N 312.417 2.737 0 40 DFAB O=C(O)C[C@H](NC(=O)CSC(F)(F)F)c1cccs1 95949115 YTOGVVQMUAWYBQ-LURJTMIESA-N 313.322 2.633 0 40 DFAB CC(C)(C)OC(=O)NCC1CCN(CC2CCOCC2)CC1 67801239 OKOIKGZAZGZGAE-UHFFFAOYSA-N 312.454 2.650 0 40 DFAB Cc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c2cnn(C)c2n1 96449556 FLCWQEUAVQMHNP-HUUCEWRRSA-N 320.396 2.810 0 40 DFAB CC(C)OCc1ccccc1CNC(=O)N1CCO[C@H](C)[C@H]1C 96476989 AAQLPIKUTDZDML-HUUCEWRRSA-N 320.433 2.930 0 40 DFAB CC(C)n1cc(S(=O)(=O)N(C)CCCc2ccccc2)cn1 96427724 DMLFNUMJXHYRHC-UHFFFAOYSA-N 321.446 2.717 0 40 DFAB Cc1ccc(NC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c(O)c1 68411132 BDTJXXYASOYXCT-BBRMVZONSA-N 307.390 2.859 0 40 DFAB COc1ccc(F)cc1Cn1ncc(Cl)c(Cl)c1=O 7747456 BRHSVTSWBASTIU-UHFFFAOYSA-N 303.120 2.746 0 40 DFAB CCCNC(=O)[C@H](C)Sc1nnc(C)n1Cc1ccccc1 16774258 QZRYIEDYAZTPML-LBPRGKRZSA-N 318.446 2.642 0 40 DFAB CSC[C@@H](C)N(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1 81784329 MKGFWBCTBSTCEX-SNVBAGLBSA-N 304.419 2.604 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)NCCO[C@H]1CCCC[C@@H]1C 69280971 CDUWIZNZUAUXNV-XEZPLFJOSA-N 322.453 2.684 0 40 DFAB Cc1cc(N(C)C)nc(N2CCC[C@@H]2c2c(C)nn(C)c2C)n1 71859641 DWOKHUAIVRDFGZ-CQSZACIVSA-N 314.437 2.543 0 40 DFAB CCCNC(=O)[C@@](C)(NC(C)=O)c1cccc(C(F)(F)F)c1 69415935 WIOSRCZIQFVADV-AWEZNQCLSA-N 316.323 2.583 0 40 DFAB O=C(c1ccccc1F)N1CCC(NCc2ccco2)CC1 69680625 ZJKSVZWTCZXVIK-UHFFFAOYSA-N 302.349 2.813 0 40 DFAB Cc1nc(C2(NCc3noc(C4CC4)n3)CCCCC2)no1 71833194 RAHAGSOYJLHVAM-UHFFFAOYSA-N 303.366 2.588 0 40 DFAB CCc1ccc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)o1 69808819 NCAIEXHJHQLYGB-UHFFFAOYSA-N 314.389 2.657 0 40 DFAB CC[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 71902464 HJQJGBCSZMAWPL-MRXNPFEDSA-N 310.401 2.581 0 40 DFAB COC(=O)c1cc(CNc2nnc(C3CCCCC3)o2)c[nH]1 95992311 QOZAAHPLGRJGKA-UHFFFAOYSA-N 304.350 2.844 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)C[C@H]2C=CCC2)C(=O)O)c1 97018742 OHIXPGCCGNXSBO-GOEBONIOSA-N 301.386 2.711 0 40 DFAB C[C@H](C(=O)N(CC(=O)O)Cc1ccccc1)c1ccsc1 97017955 ITPJCYPDLDPKHE-LBPRGKRZSA-N 303.383 2.965 0 40 DFAB C[C@@H](Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1ccccc1 97095006 KGBFDQRKGFKAPQ-SNVBAGLBSA-N 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CC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 32481601 CMVDRYHMZOZFQE-MOKVOYLWSA-N 318.392 2.874 0 40 DFAB O=C(NCc1nccs1)N[C@H](Cc1ccccc1)C1CC1 76952370 XECIUHQVDKQQNC-CQSZACIVSA-N 301.415 2.964 0 40 DFAB CCOC(=O)Cc1noc(-c2cccc(C(F)(F)F)c2)n1 71873591 CVWSQBCVMGBIEN-UHFFFAOYSA-N 300.236 2.861 0 40 DFAB CCc1nnc(S/C(=C\c2ccccc2OC)C(=O)O)o1 213414718 JCBGAXZJDRXZGR-FLIBITNWSA-N 306.343 2.858 0 40 DFAB CC[C@@H]1CCCCN1c1ccnc(N2CCC(C(=O)O)CC2)n1 44845779 PHGDJDCBDFVEPB-CQSZACIVSA-N 318.421 2.547 0 40 DFAB COc1ccc(NC(=O)N[C@H](CO)C(C)(C)C)c(Cl)c1 195557315 YBAAZKXAFMQEDU-GFCCVEGCSA-N 300.786 2.877 0 40 DFAB COc1ccccc1[C@@H]1CCN(Cc2occc2C(=O)O)C1 571290702 HCRRTRIHKLSUCH-GFCCVEGCSA-N 301.342 2.976 0 40 DFAB CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 572060300 OAUNNRABVMOSCC-RISCZKNCSA-N 305.374 2.581 0 40 DFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1cccs1 225041631 JLHKLURBOUAARU-UHFFFAOYSA-N 313.382 2.999 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)N(C[C@H](C)C(=O)O)C1CC1 195551981 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303.431 2.803 0 40 DFAB CN(C)c1nc([C@@H]2CCCN(c3ncccn3)C2)cn2cccc12 257297680 RILWVNWKHKZOAC-CQSZACIVSA-N 322.416 2.574 0 40 DFAB COc1cccc(F)c1CN1CC[C@@H](c2nc(C)cn2C)C1 257246928 IWPSIYVDTAHPIR-CYBMUJFWSA-N 303.381 2.866 0 40 DFAB Cc1csc([C@@H](C)CNC(=O)c2ccc(C(=O)O)cc2)n1 263432405 NTKWDTBIKJJERY-VIFPVBQESA-N 304.371 2.683 0 40 DFAB CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)Nc2cc(C(C)C)on2)[C@H]31 286922220 BLMZKGFEFKILJI-LYEQHPFYSA-N 305.378 2.685 0 40 DFAB c1ccc(OC[C@H]2CN(Cc3ccco3)Cc3ccnn32)nc1 585112234 NGICBRGIHYBYQZ-OAHLLOKOSA-N 310.357 2.507 0 40 DFAB CO[C@@H]1CN(C(=O)Cc2ccncc2)CC[C@@H]1Cc1ccccc1 585278409 DKYHGZNNLFLVDW-RTBURBONSA-N 324.424 2.730 0 40 DFAB CN1CC(=O)Nc2cc(C(=O)N(C)C3CCCCCC3)ccc21 53345822 MOWGQMMILBNNSX-UHFFFAOYSA-N 315.417 2.870 0 40 DFAB CCN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 57373749 SDWPYEWXQYTYTQ-UHFFFAOYSA-N 324.428 2.527 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cs1 76044379 JIAWTWWKUFPXGC-LBPRGKRZSA-N 320.418 2.864 0 40 DFAB 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Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 12563955 HLZKUOVCKSZVJF-LBPRGKRZSA-N 324.384 2.912 0 40 DFAB CCc1ccc(C(=O)N2CCCN(c3nc(C)cs3)CC2)o1 55760022 OKQZKOFAMZKZIP-UHFFFAOYSA-N 319.430 2.959 0 40 DFAB COc1ccc(C)cc1CCNCc1cnn(-c2ccccc2)n1 25639020 AXQNJLRRNSZSOY-UHFFFAOYSA-N 322.412 2.917 0 40 DFAB Cc1nnc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)s1 56515693 XOKBTFFENUCKNC-LBPRGKRZSA-N 322.390 2.653 0 40 DFAB C[C@H]1CCCN(C[C@H](C)NC(=O)N2CCc3ccccc32)C1 107493283 PIXSKKVLBWDXSN-GJZGRUSLSA-N 301.434 2.879 0 40 DFAB C[C@H](Cn1ccnc1)NCc1ccc(Br)cc1F 35275112 AVTOKKIBCUALNR-SNVBAGLBSA-N 312.186 2.963 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 20176354 VMRDGYGCKSGTCV-UHFFFAOYSA-N 301.298 2.741 0 40 DFAB C[C@@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 108106043 OYWPOUFNVPJIBC-FOOGCRFISA-N 310.344 2.687 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccnc1-n1ccnc1 105567541 JPAZEHSJCYZTGA-DZKIICNBSA-N 310.401 2.710 0 40 DFAB Cc1noc(C)c1NC(=O)Nc1ccc(N2CCCC2)nc1 58212534 WVXCJJULKBBFKW-UHFFFAOYSA-N 301.350 2.931 0 40 DFAB CCCCNC(=O)C[S@@](=O)Cc1cccc(C(F)(F)F)c1 58223931 HWKXURIHMJRSNC-OAQYLSRUSA-N 321.364 2.870 0 40 DFAB Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 58299405 KQLMEPBOAHKRFU-NWDGAFQWSA-N 320.190 2.925 0 40 DFAB Cc1ccccc1CN1C[C@@H](C(=O)N(C)C)Oc2ccccc21 58265103 PNKYEMVXWCPYDT-SFHVURJKSA-N 310.397 2.851 0 40 DFAB CC(C)(C)C(=O)NC[C@H](O)COc1cccc2ccccc12 58265207 XIXNVVCQIDHBPO-AWEZNQCLSA-N 301.386 2.742 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@@H](C)[C@H]2CCCO2)c1Cl 27872428 FNYILODNQLRXIF-CMPLNLGQSA-N 313.829 2.942 0 40 DFAB CCOC1CCN(C(=O)c2cc3ccccc3c(OC)n2)CC1 58331059 XNBRFWSSRWRWHM-UHFFFAOYSA-N 314.385 2.885 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1cccc2c1CCCC2 12759225 DLJRUVMMBOBZOB-UHFFFAOYSA-N 312.369 2.917 0 40 DFAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1oc3ccccc3c1C)CCO2 106900772 LFNNVOSJYCOGFG-UNEWFSDZSA-N 315.369 2.760 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1C 48383596 SEMZHZPZNOGZIW-KGLIPLIRSA-N 316.357 2.559 0 40 DFAB COc1ccccc1-c1noc(CCC(=O)NC(C)(C)C)n1 2402446 KHWGDFZCBMZDEX-UHFFFAOYSA-N 303.362 2.593 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 103141635 YSXSBGVBEQGPRQ-MKBNYLNASA-N 324.446 2.748 0 40 DFAB COc1cc(NC(=O)CN(C)Cc2ccsc2)cc(OC)c1 12863553 ZPKIJPAKGMVGHM-UHFFFAOYSA-N 320.414 2.836 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1cccc(Cl)c1 2624679 MUMPAWRVMCGLRN-JTQLQIEISA-N 307.733 2.795 0 40 DFAB C[C@]12CC[C@H](O)C[C@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118915039 JVEWXTLFKFWQPU-FYUHNPBOSA-N 306.446 2.930 0 40 DFAB COCCCNC(=O)c1sc(NC2CCCCC2)nc1C 71326726 MDEKSYGMLJPPLX-UHFFFAOYSA-N 311.451 2.962 0 40 DFAB CC(C)(CO)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13686353 AUNIVJOQZJWUBN-UHFFFAOYSA-N 315.398 2.588 0 40 DFAB CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCCC1)n2C 5207857 ACWLSXSHPJXXMP-UHFFFAOYSA-N 314.433 2.950 0 40 DFAB O=C(NO[C@H]1CCCCO1)c1cc(F)ccc1Br 65590947 KOFHATJBLCYUEY-NSHDSACASA-N 318.142 2.776 0 40 DFAB CC(C)NC(=O)CCCC(=O)NCC1(c2ccccc2)CC1 65522624 BUIPFAWHEJSQPO-UHFFFAOYSA-N 302.418 2.529 0 40 DFAB CCNC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 65536689 PNUMHVILRDLXCH-UHFFFAOYSA-N 321.421 2.810 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cn1 9454837 DJVGXUVWEBWSHI-LBPRGKRZSA-N 300.358 2.898 0 40 DFAB CNc1ccccc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 6974842 AQSFDOVBOSZSLB-QGZVFWFLSA-N 324.380 2.905 0 40 DFAB CCCCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)cc2C)C1(C)C 95413031 WXPJZSZKDZTOPV-CABCVRRESA-N 320.433 2.739 0 40 DFAB Cc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 7273307 GPPKIKIMHYCKKZ-SECBINFHSA-N 308.428 2.829 0 40 DFAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1cccc(N)c1)c1ccccc1 71842147 ANFQBTVUOLYTKE-QWHCGFSZSA-N 312.369 2.692 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1 71865655 DJVCBYCUCLMTRO-QGZVFWFLSA-N 315.392 2.954 0 40 DFAB CN1CCC[C@H](CSc2ccc(C(=O)N3CCCC3)cn2)C1 71886132 ACAKMEXZLBRSDP-AWEZNQCLSA-N 319.474 2.752 0 40 DFAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(C)C)n1 7716986 JPICLMIDLLZVJA-UHFFFAOYSA-N 320.437 2.966 0 40 DFAB Cc1cc(C)c(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)c1 95446432 JBNYUDHFPQPZLF-ZIAGYGMSSA-N 303.406 2.730 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n1 95469890 KLCIDGGKVDQAMJ-NSHDSACASA-N 303.749 2.628 0 40 DFAB Cc1c(Cl)cccc1Nc1nnc(SCC(N)=O)s1 16323600 VDPXBWFFUOVZGI-UHFFFAOYSA-N 314.823 2.821 0 40 DFAB C[C@H](C1CCC1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501244 LMQNKFFQLDRXKA-SECBINFHSA-N 322.352 2.910 0 40 DFAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NC1CC1 8120995 NKXVRSADORTCQC-UHFFFAOYSA-N 310.353 2.596 0 40 DFAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2[nH]nnc2c1 9657328 PFOPIEHKVPAZAN-UHFFFAOYSA-N 322.353 2.729 0 40 DFAB C[C@H](NCc1cccc2c1OCCCO2)[C@H](C)n1cccn1 69372490 IABUGOASFPTSAO-KBPBESRZSA-N 301.390 2.784 0 40 DFAB C[C@H](O)CN1CCC(CNCc2ccc(Cl)c(F)c2)CC1 69349874 JNOBZLHWFKZVKW-LBPRGKRZSA-N 314.832 2.662 0 40 DFAB Cn1nccc1[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 69487136 OQXSKVUDQDGMLM-QGZVFWFLSA-N 321.428 2.985 0 40 DFAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCc2cncnc2C1 69528278 FHBFRLXCFLNXLB-LBPRGKRZSA-N 307.357 2.646 0 40 DFAB c1ccc2sc(CN3CCC[C@H](Cn4cncn4)C3)nc2c1 69630245 UFRWUMBZTHRYDK-ZDUSSCGKSA-N 313.430 2.800 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 69629747 GFOHYSYEOSVOAD-UHFFFAOYSA-N 318.380 2.910 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[C@H](O)c2ccco2)c1C 84007920 ZPOQUIREUKIYIB-RNCFNFMXSA-N 318.373 2.669 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cnc2ccccc2n1 69948298 MXRYPMLKDSRBGB-IAGOWNOFSA-N 310.401 2.610 0 40 DFAB CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 8735224 AKUPWOWZXBUKDB-UHFFFAOYSA-N 307.353 2.908 0 40 DFAB COc1cc(C)c(NC(=O)[C@@H]2Cc3ccccc3O2)cc1OC 8750947 OSGDDMUEMYXZMY-KRWDZBQOSA-N 313.353 2.954 0 40 DFAB O=C(Cn1ccnn1)Nc1c(O)c(Cl)cc(Cl)c1Cl 97079794 HZGGDKMTUGIRCF-UHFFFAOYSA-N 321.551 2.583 0 40 DFAB CC[C@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 72294421 RBQSTUCJNYSTAL-JSGCOSHPSA-N 301.308 2.706 0 40 DFAB Cc1nccn1CCCCNC(=O)N1CC[C@@H]2CCCC[C@H]21 74533967 NEUADZVBPKGYFS-JKSUJKDBSA-N 304.438 2.946 0 40 DFAB Cc1ccc(C(=O)NCc2ccccc2COC(C)C)c(=O)[nH]1 75118631 XCDDCIGACZKDNW-UHFFFAOYSA-N 314.385 2.538 0 40 DFAB O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@@H](CO)C1 75128191 BWXLYLTXWVIHBE-RHSMWYFYSA-N 302.418 2.942 0 40 DFAB CCSc1ccccc1NC(=O)N1CCNC(=O)[C@H]1CC 75146740 VQLMXBFZKUUNPY-GFCCVEGCSA-N 307.419 2.541 0 40 DFAB CC(C)(C)C[C@H](CO)NC(=O)c1csc(-c2ccoc2)n1 89643005 AHILEYZMKXJZBR-LLVKDONJSA-N 308.403 2.930 0 40 DFAB Cn1ccc2ccc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc21 75611300 GGQSWVFVBVTNGD-VQIMIIECSA-N 312.413 2.946 0 40 DFAB biogenic CO[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cncn3)c(C)c2)C1 76090084 QPHMQOVIBLQQCR-LSDHHAIUSA-N 315.373 2.690 0 40 DFAB COc1ccc(C(=O)CN2CCC(N3CCCCC3)CC2)cc1 26439354 MTVNLHKRCRBRPG-UHFFFAOYSA-N 316.445 2.828 0 40 DFAB C[C@@H](CCC1CCCCC1)OC(=O)[C@@H]1CCS(=O)(=O)C1 69598944 ZIFPZFMZRUBMJN-GXTWGEPZSA-N 302.436 2.713 0 40 DFAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1ccc2c(c1)CCC2 38488351 UVQFWWBOYHIXEK-AWEZNQCLSA-N 309.369 2.956 0 40 DFAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccsc1 32072235 KXCWPUDSAUWMQQ-AWEZNQCLSA-N 307.758 2.814 0 40 DFAB O=C(NCc1ccn(Cc2ccccc2)n1)NCc1ccco1 225433477 GARZNNQHMOSESX-UHFFFAOYSA-N 310.357 2.524 0 40 DFAB COc1ccc(CCNC(=O)Cc2ccc3c(c2)OCC3)cc1 85875596 MUJGCVANVJOICC-UHFFFAOYSA-N 311.381 2.532 0 40 DFAB biogenic CN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccccn1 41529208 JHEFZIHWXFTEGR-UHFFFAOYSA-N 316.368 2.847 0 40 DFAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCCC1 41247666 IHGIXDFNTSZAEV-NSHDSACASA-N 309.797 2.863 0 40 DFAB CN(CCSC(C)(C)C)C1CCN(c2cnccn2)CC1 225786911 VVEGDDXLHWIWHN-UHFFFAOYSA-N 308.495 2.909 0 40 DFAB C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@@H](c2ccsc2)O1 225465204 QKVUDOKTYTUOED-UHOFOFEASA-N 316.426 2.737 0 40 DFAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1CC)CC2 95400586 IESXXSNZWXMFLQ-KGLIPLIRSA-N 323.458 2.703 0 40 DFAB CC(C)n1ccc2c(NC(=O)c3ccc4nnnn4c3)cccc21 96230965 AMWAPTZUXXWTDO-UHFFFAOYSA-N 320.356 2.912 0 40 DFAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(Cl)ccc1N(C)C 96420242 NSPRVYXMKMSGNS-GHMZBOCLSA-N 313.829 2.935 0 40 DFAB CC(C)C(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 96404773 OSFBLEHQCIVLOV-ROUUACIJSA-N 324.424 2.832 0 40 DFAB COCCOCC(=O)N(c1ccc(F)cc1Cl)C(C)C 96410979 UFSAARRIGZLPFB-UHFFFAOYSA-N 303.761 2.884 0 40 DFAB CC(C)C[C@@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 96753574 ROABMWZHSDROKN-CQSZACIVSA-N 302.374 2.647 0 40 DFAB Cc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)n1 96161768 HPDYMNGQHRFJOJ-CALCHBBNSA-N 307.397 2.598 0 40 DFAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1 96184300 PARJJYIXHQMPAR-DLBZAZTESA-N 304.409 2.699 0 40 DFAB C[C@H](Cn1cncn1)NC(=O)Nc1ccccc1OC(C)(C)C 96407017 GWCZWKLMPAOPIH-GFCCVEGCSA-N 317.393 2.666 0 40 DFAB C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccn1C 96491689 JHMQQVUYXNVNJC-MGPQQGTHSA-N 322.453 2.907 0 40 DFAB Fc1cccnc1N[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1 96047633 WVIOTFNXTCKTOO-GUYCJALGSA-N 317.364 2.659 0 40 DFAB Cc1cc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)oc1C 96489912 PGDSWVZTXCBWIE-UHFFFAOYSA-N 310.394 2.835 0 40 DFAB CC(C)c1nc(S(=O)(=O)N(C)c2cc(F)ccc2F)c[nH]1 96447402 AAWSPPYLOJGURS-UHFFFAOYSA-N 315.345 2.636 0 40 DFAB CC(C)N1CCC2(CC1)C[C@H](NC(=O)c1cccs1)CO2 96221257 LZFVWZUGMCLGEL-ZDUSSCGKSA-N 308.447 2.510 0 40 DFAB O=C(c1ccsc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91777193 ONXMNFGMGQASOP-BXUZGUMPSA-N 309.337 2.974 0 40 DFAB COCCn1ccc(NC(=O)Nc2cccc(N(C)C)c2C)n1 97103690 UQCSFRNPYDYWBE-UHFFFAOYSA-N 317.393 2.548 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(C)s3)C2)n1 257321257 WAWGLQVIMUQONX-CQSZACIVSA-N 318.446 2.671 0 40 DFAB CC(=O)N1CCC(c2cncc(-c3cnc(C)s3)n2)CC1 257274418 NKZULYFPVBRBCD-UHFFFAOYSA-N 302.403 2.634 0 40 DFAB Cc1cc(NC2CC3(CCN(Cc4cncs4)C3)C2)ncn1 257213260 CGUQPERIHJNAMW-UHFFFAOYSA-N 315.446 2.708 0 40 DFAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ncon2)C1 253471851 GEHRHCDXVSUSLP-SNVBAGLBSA-N 311.263 2.718 0 40 DFAB CCn1ccnc1CN1CCN([C@@H](C)c2ccccc2F)CC1 69453176 YVGDWFRIJRZPPK-HNNXBMFYSA-N 316.424 2.921 0 40 DFAB CNC(=O)[C@H](NC(=O)c1ccc(C)s1)c1ccc(F)c(F)c1 71417434 CZLJNZGJBKOHQW-CYBMUJFWSA-N 324.352 2.552 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 53894369 SYUFWRSDUDYOQM-SNVBAGLBSA-N 318.373 2.502 0 40 DFAB c1ccc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1 72312029 DHEQYMWTUZCQOF-UHFFFAOYSA-N 319.412 2.590 0 40 DFAB Cc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 40018011 VXTBULLVKBHSGW-CYBMUJFWSA-N 316.426 2.594 0 40 DFAB C[C@H]1CN(C(=O)CCn2ccccc2=O)c2ccccc2S1 84715235 VAMMBDZBMYOSCK-ZDUSSCGKSA-N 314.410 2.766 0 40 DFAB Clc1cnc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1 572185520 ZURCUZQACOUAQA-STQMWFEESA-N 300.793 2.703 0 40 DFAB Cc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 19117967 HZDCHEORCNAKPI-AWEZNQCLSA-N 301.365 2.597 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 152419 FKYPAFJTDKQZBG-IUCAKERBSA-N 302.296 2.658 0 40 DFAB CO[C@@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1cccc(F)c1 643914138 MBARKVXOXZOOPZ-SJLPKXTDSA-N 317.408 2.639 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 248080029 IKKJQIKBVARFRQ-FMKPAKJESA-N 300.402 2.605 0 40 DFAB O=C(CSc1ccccc1)NC(=O)NCc1ccccc1 3432063 OXZDMDVRFLTMKL-UHFFFAOYSA-N 300.383 2.805 0 40 DFAB COCCNC(=O)CSc1nc(-c2ccccc2)cs1 5860499 STIGYNWLNNWHTG-UHFFFAOYSA-N 308.428 2.665 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2c2ccccn2)n1 1848355373 ZCAWTPWWHPUUJA-HNNXBMFYSA-N 306.373 2.912 0 40 DFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 4142893 MPKRHHROHHFBBJ-FZKCQIBNSA-N 307.349 2.591 0 40 DFAB Cc1nccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4o3)C2)n1 575612035 IHESRUUJVOYEDK-CQSZACIVSA-N 323.352 2.825 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccs1 25176398 KIVFDABCQMEOOK-VIFPVBQESA-N 302.355 2.570 0 40 DFAB CC(=O)c1ccc(N2CCN(Cc3ccccn3)CC2)c(F)c1 40012290 CIINBQFQWUBRGD-UHFFFAOYSA-N 313.376 2.746 0 40 DFAB O=C(c1cc(=O)c(OCc2ccccc2F)co1)N1CCCC1 40286536 FUGSRJNYVGFHBK-UHFFFAOYSA-N 317.316 2.594 0 40 DFAB C[C@@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)CCO1 40477925 GBYLVHRZTUZYRY-GFCCVEGCSA-N 318.398 2.583 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2n1 31594535 FUOTYJNVHZJPFY-HNNXBMFYSA-N 306.369 2.776 0 40 DFAB NC(=O)NCCCCCC(=O)OCc1ccc(F)cc1Cl 32739666 CWWJBWAAZNMPDD-UHFFFAOYSA-N 316.760 2.751 0 40 DFAB COc1ccc(C(N)=O)c(OCc2nc3ccccc3nc2C)c1 32958224 XJRBUHVHQRFZCA-UHFFFAOYSA-N 323.352 2.625 0 40 DFAB CC(C)c1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 507404 JPALKBIFMWVOEX-UHFFFAOYSA-N 314.414 2.722 0 40 DFAB COc1ccc2oc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)c(C)c2c1 78894509 GDIFJJBUFWERSK-ABAIWWIYSA-N 316.401 2.772 0 40 DFAB COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 79047964 TWCZILLIFSAHJL-KRWDZBQOSA-N 305.374 2.738 0 40 DFAB in-vitro C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)NC12CC3CC(CC(C3)C1)C2 79073534 MYKFTOCLRYYDBM-HYPRXOFKSA-N 311.491 2.962 0 40 DFAB COC(=O)[C@@]1(F)CCN([C@H](C)Cc2nc3ccccc3s2)C1 79327772 RYPFOSUGWIYPOI-BDJLRTHQSA-N 322.405 2.814 0 40 DFAB CS(=O)(=O)N1CCN=C1SCc1cccc2ccccc12 2711748 LXCPRZGQTRWWBS-UHFFFAOYSA-N 320.439 2.704 0 40 DFAB O=C(C[C@@H]1CCOc2ccccc21)N[C@@H]1CCCC[C@@H]1CO 84578923 CAAUORITDLKUOR-SQWLQELKSA-N 303.402 2.610 0 40 DFAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1NS(C)(=O)=O 43284342 KBPFEPJKDYAZNI-STQMWFEESA-N 322.430 2.592 0 40 DFAB CCn1c(C)nnc1SCCCOc1ccc(C=O)cc1 8731750 JQDYWHPGZNIRMQ-UHFFFAOYSA-N 305.403 2.980 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cc(C)nn2C)c1 43433174 XANOVARBDXRQCK-LLVKDONJSA-N 318.377 2.628 0 40 DFAB CCOC[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 72311383 ZSHXNVWMQFDLOY-WMZOPIPTSA-N 318.461 2.955 0 40 DFAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccc(F)cc2)C1 56502919 WOSVKUNZKZQSML-ZIAGYGMSSA-N 307.413 2.745 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1CC(=O)Nc2ccccc21 25256909 QKJGCUPRWWBPJS-RKDSPFTASA-N 309.369 2.563 0 40 DFAB O=C(NCC1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 48279640 AKIWFCJFQVPJAK-UHFFFAOYSA-N 316.401 2.561 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 22124453 IJIPYRIQMSRWOL-SECBINFHSA-N 301.264 2.621 0 40 DFAB CCc1noc(C)c1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 58200998 QVQYGCCZPQRGSR-MRXNPFEDSA-N 315.417 2.887 0 40 DFAB CCc1nnsc1C(=O)N[C@H](C)c1ccc(OC)cc1OC 45242490 JGQGZWPGLIWJTD-SECBINFHSA-N 321.402 2.609 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCc3sccc3C2)s1 10924826 JJZSNHOGVKZRNU-UHFFFAOYSA-N 306.412 2.967 0 40 DFAB Cc1ccc(CNC(=O)NCCCOCc2ccco2)cc1 12800325 UJEVPXBMEXAXJX-UHFFFAOYSA-N 302.374 2.994 0 40 DFAB Cc1ccc(CNC(=O)COc2ncnc3sccc23)cc1 3496979 UWWNXFRIABOZGJ-UHFFFAOYSA-N 313.382 2.695 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(C3CC3)s2)cc1OC 3550746 PEEHMJVSNOPCEU-UHFFFAOYSA-N 319.386 2.614 0 40 DFAB CCN(C(=O)[C@@H](C)Sc1nnc(N)s1)c1ccccc1 3556502 MBSFQBWRSJHRPU-SECBINFHSA-N 308.432 2.654 0 40 DFAB COc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 3619377 RZYLGOZVMCYBSU-ZDUSSCGKSA-N 313.353 2.729 0 40 DFAB Cc1ccc([C@H](CNc2nc(C)nc3c2cnn3C)N(C)C)cc1 64114101 IISXERIBKKGSCW-INIZCTEOSA-N 324.432 2.695 0 40 DFAB Cc1cccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1 5138593 GIIPGLVFXRCPFR-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB Cc1nn(C(=O)OC(C)(C)C)c(C)c1I 5177608 BUHPTZHNAXELNA-UHFFFAOYSA-N 322.146 2.888 0 40 DFAB COc1ccc(Nc2cc(C)nc(C)n2)cc1N1CCCC1=O 65422496 UVPXXVUNOSHIHP-UHFFFAOYSA-N 312.373 2.972 0 40 DFAB O=C(Cc1ccc(Cl)cc1)Nc1ccnn1C[C@@H]1CCOC1 65534597 MSOXEWNKUIICIC-ZDUSSCGKSA-N 319.792 2.754 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)NC[C@H]3CCC[C@H]3O)c2)o1 96434788 BZPQKKYUUQZMLR-UKRRQHHQSA-N 315.373 2.933 0 40 DFAB O=C(CCc1nc2ccccc2s1)NCCc1ccccn1 6831377 COEIJGDERQRVAN-UHFFFAOYSA-N 311.410 2.983 0 40 DFAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccco2)N(C)C3=O)cc1 4909458 FAFBXRVEMCBPBF-INIZCTEOSA-N 309.325 2.853 0 40 DFAB C[C@@H](C1CC1)N(C(=O)c1cn(-c2ccc(F)cc2)nn1)C1CC1 71892726 DDHRHMALRWWPMA-NSHDSACASA-N 314.364 2.810 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 7307991 XVWGWKDNIICHOH-GFCCVEGCSA-N 303.383 2.929 0 40 DFAB O=C(N[C@@H](CCO)C1CC1)N[C@H](c1ccc(F)cc1)C1CC1 95401090 HQMUFKSZBWODLH-HOTGVXAUSA-N 306.381 2.737 0 40 DFAB O=C(c1csc(-c2ccco2)n1)N1CCN2CCCC[C@H]2C1 71839813 NVHQLVRNZZYSKO-LBPRGKRZSA-N 317.414 2.713 0 40 DFAB Cc1cc(Cl)c(C(C)C)cc1OCc1nc(N)nc(N)n1 8224745 QKVMVAOFLOGWSB-UHFFFAOYSA-N 307.785 2.700 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCOCC(C)C)c1 70004000 OOMBHAQONUHYHI-MRXNPFEDSA-N 307.438 2.635 0 40 DFAB Cc1ccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)c(C)c1 16944575 CSVFSNXYPIGQFA-UHFFFAOYSA-N 312.369 2.828 0 40 DFAB Cc1ccc(-c2nc(CN3CCc4c(ncn4C)C3)co2)cc1 69489257 NEBLCSYJRZQWPY-UHFFFAOYSA-N 308.385 2.942 0 40 DFAB O=C(NCc1ccccc1)[C@H]1CCCCN1Cc1ccncc1 69588681 GBEWHUZOMHNCRL-GOSISDBHSA-N 309.413 2.753 0 40 DFAB CCC[C@@H](O)CC(=O)OCC(=O)Nc1ccc(C)cc1Cl 69978567 YDHFHKNAFOZKSU-LLVKDONJSA-N 313.781 2.681 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nccn2C)c1C 8725353 FVMBLCTWKQIBNO-NSHDSACASA-N 305.403 2.931 0 40 DFAB C[C@@H]1NCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595814 NUPHTDGZNNRLKW-UFBFGSQYSA-N 304.287 2.715 0 40 DFAB Nc1nc(COc2nnc(-c3ccccc3)o2)nc2ccccc12 97046745 GGLVYIFAPLWUSX-UHFFFAOYSA-N 319.324 2.841 0 40 DFAB CCCc1onc(C)c1C(=O)N(C)Cc1ccc(C(=O)O)cc1 97035897 HXTBLWCCZISCHM-UHFFFAOYSA-N 316.357 2.906 0 40 DFAB C[C@@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(O)cc1Cl 97059778 REQHCKCNQQPNND-JTQLQIEISA-N 321.760 2.959 0 40 DFAB COc1ccc([C@H]2CCN(Cc3cc(C(N)=O)cs3)C2)cc1 92783607 VTZYMGHVMQTTDU-ZDUSSCGKSA-N 316.426 2.845 0 40 DFAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)C[C@@H](C)O1 27975377 ORVKBLKAMMVBLP-MGPQQGTHSA-N 303.402 2.578 0 40 DFAB Cc1n[nH]c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C 72285729 DHXWCBIJTGLAQK-UHFFFAOYSA-N 323.400 2.759 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72235725 SSYPTTRBMKYGKQ-ZDUSSCGKSA-N 304.419 2.742 0 40 DFAB O=C(NCc1ccco1)N[C@@H]1CCO[C@H](c2ccccc2)C1 97142086 CPBSJTJPYLPYCQ-ZBFHGGJFSA-N 300.358 2.999 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)c2cnn(C)c2C)C12CCCCC2 98018832 JKJFYVLJHKZTHF-CABCVRRESA-N 305.422 2.586 0 40 DFAB COCC[C@@H](C)N[C@H](c1ccc(OC)cc1)c1nccn1C 95967245 KYUGIGPNSOOUJM-CZUORRHYSA-N 303.406 2.533 0 40 DFAB Cc1ncc(Cl)c(C(=O)N2CCN(C)c3ccccc3C2)n1 89730039 BZICRWBYBHSGLM-UHFFFAOYSA-N 316.792 2.531 0 40 DFAB O=C(CCc1nc(C2CC2)no1)NC1(c2cccc(F)c2)CC1 89774776 OWEGDTJWLPRLQR-UHFFFAOYSA-N 315.348 2.824 0 40 DFAB CCCOc1ccccc1/C=C/C(=O)NCCCC(=O)OC 62715098 NVVQYGZQKDNZOM-ZHACJKMWSA-N 305.374 2.558 0 40 DFAB CC(C)CCn1c(O)nc2c(-c3ccccn3)nsc2c1=O 67350273 DLCUPMQITIRUAL-UHFFFAOYSA-N 316.386 2.667 0 40 DFAB O=C(Nc1cnns1)[C@@H]1CCCCN1Cc1ccccc1 188703401 RBCLZTWKBZKUDL-ZDUSSCGKSA-N 302.403 2.531 0 40 DFAB O=C(NCc1cccs1)N1CCC(Cn2ccnc2)CC1 75154691 WNZYRZZZHSXFJP-UHFFFAOYSA-N 304.419 2.566 0 40 DFAB CN(CCc1ccncc1)C(=O)c1cc([C@@H]2CCCN2C)ccn1 72365739 QJFJOGGJNSCQTP-SFHVURJKSA-N 324.428 2.558 0 40 DFAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@H]1CCCO1 32611693 ZQKZKJRMPDSLKS-CQSZACIVSA-N 308.328 2.592 0 40 DFAB CC[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 189188330 OGDSFFLPYOEPMO-MSOLQXFVSA-N 316.445 2.509 0 40 DFAB CN(CCc1cn[nH]c1)c1ncc(-c2ccncc2)c(C2CC2)n1 72340330 BUNKHJGIHFULRI-UHFFFAOYSA-N 320.400 2.818 0 40 DFAB CCCOc1ccc(S(=O)(=O)NC(C)C)cc1OCCC 72414184 PAJXNZFEWJRSGQ-UHFFFAOYSA-N 315.435 2.951 0 40 DFAB Cc1ccc2c(c1)N(C(=O)[C@@H](C)Oc1cccnc1)C[C@H](C)O2 81452370 OPDQMLZJQDZTLA-UONOGXRCSA-N 312.369 2.971 0 40 DFAB COc1ccc([C@@H](CO)N(C)C[C@@H](O)c2cccc(F)c2)cc1 195530222 JQMOQVIVTBVXAD-QZTJIDSGSA-N 319.376 2.533 0 40 DFAB CN(Cc1cccn1C)C(=O)c1ccc2[nH]c(Cl)nc2c1 225985097 SBBAVDHKDNDMAW-UHFFFAOYSA-N 302.765 2.827 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/C(=O)O)cc1 83319002 DNPQQEIHGUVWPH-DHZHZOJOSA-N 317.366 2.894 0 40 DFAB C[C@H]1CN(C(=O)c2cncn2-c2ccccc2)CC2(CCC2)O1 573326502 JMQWXCOHQJWCPN-AWEZNQCLSA-N 311.385 2.656 0 40 DFAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC=CCC1 195531257 HPJAVGCADKZCQB-QZTJIDSGSA-N 314.429 2.502 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCSC1 96493234 TXPXTSCEZOGBDH-OAHLLOKOSA-N 322.474 2.865 0 40 DFAB CC(C)CN1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96053560 UNKFFWRBWQHBGW-LJQANCHMSA-N 324.428 2.668 0 40 DFAB O=C(Nc1cccs1)N1CCC(Oc2cnccn2)CC1 90678103 CBQHLVGCUGQNGR-UHFFFAOYSA-N 304.375 2.613 0 40 DFAB C[C@@](O)(CNC(=O)CCc1ccoc1)c1ccccc1Cl 97378979 QDGSBJBTWHHKKG-MRXNPFEDSA-N 307.777 2.890 0 40 DFAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1cccc(F)c1 95634398 GKWMEPNDCLAHID-UHFFFAOYSA-N 318.144 2.999 0 40 DFAB CN1Cc2ccccc2[C@@H](NC(=O)c2ccnn2C2CCCC2)C1 536031992 HCHJHZCLPYBAGV-KRWDZBQOSA-N 324.428 2.915 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC1(C)CCCC1 96440049 FKTWZBDQYFDWAG-LBPRGKRZSA-N 306.454 2.847 0 40 DFAB C[C@H](NCCCN1CCN(C)CC1)c1c(F)cccc1Cl 97235563 PISNPXRWMPRFND-ZDUSSCGKSA-N 313.848 2.767 0 40 DFAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]3O2)n1 96058241 MUQRMMGRZNXJGN-CWRNSKLLSA-N 317.364 2.869 0 40 DFAB COC[C@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 245339186 RCJIZZULUBLDIV-RDJZCZTQSA-N 302.418 2.540 0 40 DFAB C[C@@]12CCN(C(=O)COc3ccccc3Cl)[C@@H]1CC[C@@H](O)C2 257225386 FFYXRPVPNFODTQ-VMGRFDJRSA-N 323.820 2.871 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cc2cccs2)C1 257263393 LPRWOUWBQXFBNU-ZDUSSCGKSA-N 303.431 2.803 0 40 DFAB Cn1c(CN2CCCC[C@@H]2Cn2cccn2)nc2ccccc21 69777326 SIHLFEBTVDABMD-OAHLLOKOSA-N 309.417 2.825 0 40 DFAB Cn1cc(C(=O)N2CCC(c3cnccn3)CC2)c2ccccc21 257212255 CCNMMNXGIIIHIW-UHFFFAOYSA-N 320.396 2.988 0 40 DFAB Cn1cncc1CN1CCOC[C@H](Cc2ccccc2Cl)C1 257300831 RVWBFWXFRPLMHV-CQSZACIVSA-N 319.836 2.765 0 40 DFAB COC(=O)c1[nH]c(C)cc1NCc1nc(-c2cccs2)no1 69703141 UDPSNTQXZFGYBK-UHFFFAOYSA-N 318.358 2.833 0 40 DFAB Cc1ccc(F)cc1C(=O)N[C@H](CO)Cc1ccc(F)cc1 390834068 REICYDHFDAAQDR-HNNXBMFYSA-N 305.324 2.607 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 75602213 BGUWWILVWMUEDR-NSHDSACASA-N 322.796 2.964 0 40 DFAB CC(C)N1CCC[C@@H]1CC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 89885190 HXSYKSDTLPNMNF-QWHCGFSZSA-N 322.453 2.807 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2C)cc1F 89893297 WFFDXKPVZVSNIL-UHFFFAOYSA-N 319.336 2.722 0 40 DFAB Cc1cnc(NC(=O)CC[C@@H]2C(=O)Nc3ccccc32)s1 1565524251 CGOSFVKJTAKMRS-NSHDSACASA-N 301.371 2.906 0 40 DFAB COc1ccc(CN(Cc2cncn2C)C[C@H]2CCCO2)cc1 12147107 FTHYTIZNUOOCRA-GOSISDBHSA-N 315.417 2.610 0 40 DFAB Cc1ccccc1OCC(=O)NCCCN1CCCCCC1 13647310 IFPPGZSIILJAQW-UHFFFAOYSA-N 304.434 2.756 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1-c1ccc(C(F)(F)F)cc1 15424686 ODRUAMPDQYQAHD-UHFFFAOYSA-N 306.243 2.698 0 40 DFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CCCN2C[C@H]1C 19575038 LDARSZITWJJGDR-UXLLHSPISA-N 316.445 2.762 0 40 DFAB CSc1ncc(C)c(N2CCN(c3ccc(F)cc3)CC2)n1 1888876232 RITBAWZNYICHIW-UHFFFAOYSA-N 318.421 2.973 0 40 DFAB COc1ccc(CN=c2[nH]cnc(-c3ccccc3)c2F)cn1 1888899269 BWYFBXJKVAFPGB-UHFFFAOYSA-N 310.332 2.720 0 40 DFAB Cc1ccc(NC(=O)c2cc3c(nn2)CCOC3)c(Cl)c1 1889114125 RJBHXMFUMSQPEY-UHFFFAOYSA-N 303.749 2.763 0 40 DFAB Cc1cnn(CC2CN(c3ncnc4ccc(Cl)cc34)C2)c1 1889148922 HFFYYIICLAHWBB-UHFFFAOYSA-N 313.792 2.925 0 40 DFAB O=C([C@H]1CN(Cc2cccc3ccccc23)CCO1)N1CCCC1 1889229275 MWUWCCSBQZKGLJ-LJQANCHMSA-N 324.424 2.663 0 40 DFAB O=C(c1ccoc1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238811507 AKOPXEUBMBYOBW-CYBMUJFWSA-N 309.325 2.959 0 40 DFAB COc1cccc(-c2cc(CC(=O)NCc3ccco3)no2)c1 12865381 BTQYVPOEJLKERL-UHFFFAOYSA-N 312.325 2.802 0 40 DFAB COCCN(Cc1ccsc1)C(=O)Cc1c(C)noc1C 207974613 RECSPOBERZVNNY-UHFFFAOYSA-N 308.403 2.571 0 40 DFAB O=C(Cn1cnc2ccccc21)NCc1cncc(C2CC2)c1 575619837 OOHBRPUWVZWQIQ-UHFFFAOYSA-N 306.369 2.625 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CO)cc1OC(F)F 96434925 XCHOEKBNTONAQQ-CMPLNLGQSA-N 314.332 2.879 0 40 DFAB Cc1nc(CSCC(=O)N[C@@H](C)c2ccccc2C)no1 40117649 JSTGNEQWMXWPHP-NSHDSACASA-N 305.403 2.797 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@H](C)CN3CCCC3=O)cc2C1 40156876 RUUWESAKNGMUKG-NWDGAFQWSA-N 320.458 2.614 0 40 DFAB O=C(NC1CCCC1)N1CCC[C@@H](c2nnc3ccccn23)C1 31030930 HHLJQKTVQFWZKH-CYBMUJFWSA-N 313.405 2.561 0 40 DFAB Cc1cc(SCc2nc3c(C)cccc3c(=O)[nH]2)nc(C)n1 32781889 GLHWPJWUYZYFTG-UHFFFAOYSA-N 312.398 2.931 0 40 DFAB COc1cc(OC)c(C(=O)N(C)c2ccccc2)cc1OC 33019612 AFEYMTOHNYHPEQ-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB O=C(c1sccc1Br)N1CCO[C@@H]2CCC[C@@H]21 53385281 JCFKXVVFVNIORL-VHSXEESVSA-N 316.220 2.904 0 40 DFAB O=C(COc1ccccc1)NCc1ccc(-n2ccnc2)cc1 22530760 CNYYNLKOHPJEEL-UHFFFAOYSA-N 307.353 2.568 0 40 DFAB COc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1C 22836875 OEEKKVIYVYAHDK-CQSZACIVSA-N 313.353 2.573 0 40 DFAB Nc1nc2n(c1C(=O)c1ccc(Br)cc1)CCCC2 12429060 HDLANZVRTUDTAR-UHFFFAOYSA-N 320.190 2.795 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1ccc(-n2cccn2)nc1 3050974 DDJNOXWRCQPQKJ-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CSC1(CNC(=O)C2(c3ccccc3)CC2)CCOCC1 78877492 NSXRTERJKAOTJR-UHFFFAOYSA-N 305.443 2.747 0 40 DFAB Cc1ccc(S(=O)(=O)NCCNc2ccccc2)c(F)c1 79103855 DOSXYPPGLKZJQM-UHFFFAOYSA-N 308.378 2.525 0 40 DFAB Cc1ccccc1C[C@@H](C)NCCN1CCC(N(C)C)CC1 95968944 GRYRYGLBYJLBSC-QGZVFWFLSA-N 303.494 2.542 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 3193082 VCNKWHQTCPLBNJ-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1noc2c1CCCC2 3909245 LIYYZKFDTFGNRG-UHFFFAOYSA-N 300.314 2.592 0 40 DFAB COc1cc([C@H](N)CC(=O)O)ccc1OCc1ccccc1 6005265 ZTBVHMNMNSGPKJ-CQSZACIVSA-N 301.342 2.749 0 40 DFAB CCc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1 6811412 FDTZAVUUGCTUBK-UHFFFAOYSA-N 315.354 2.768 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncccn2)c1C 6913331 YJLDGBBVYUMDMW-JTQLQIEISA-N 319.386 2.572 0 40 DFAB CCOc1ccc(NC(=O)C(=O)NCCC2CCCC2)cc1 6963038 SNMIXMBAXVKZBX-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB CCc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1 7728839 UUPBZCSTMNTBEX-UHFFFAOYSA-N 324.490 2.649 0 40 DFAB CN1CCN(C[C@@H](NC[C@@H]2CC=CCC2)c2ccccc2)CC1 95433968 OGIZMDDIMBLSEN-UYAOXDASSA-N 313.489 2.921 0 40 DFAB CCOc1c(Br)cc(C(=O)NC2CC2)cc1OC 8035061 UVVQEZGEIYXRAV-UHFFFAOYSA-N 314.179 2.749 0 40 DFAB O=C(NCc1nc(-c2cccs2)no1)NCc1cccs1 47948940 HEZGWIAXHADUMT-UHFFFAOYSA-N 320.399 2.859 0 40 DFAB CCCCn1nc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1=O 56033353 LESPCJSUKVQNLO-MRXNPFEDSA-N 317.433 2.838 0 40 DFAB C[C@H]1CN([C@H](C)CNc2ncnc3ccsc23)C[C@@H](C)O1 25501473 BQXHXBYHSLZQQM-UTUOFQBUSA-N 306.435 2.601 0 40 DFAB O=C(NCc1ccoc1)Nc1ccc(N2CCCCC2)nc1 48250269 FQOPUQSLNOLSSN-UHFFFAOYSA-N 300.362 2.987 0 40 DFAB CCO[C@H]1CCCN(C(=O)Cc2csc(-c3ccco3)n2)C1 58062875 HQWLRJZBDHKXSB-ZDUSSCGKSA-N 320.414 2.973 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)c2cnc3ccccn3c2=O)c1 44896141 KXJMYSPHRLYXKM-AWEZNQCLSA-N 321.380 2.802 0 40 DFAB Cc1ncccc1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 95944412 JAXBTTNTGKHBLR-CYBMUJFWSA-N 304.390 2.584 0 40 DFAB CN(Cc1ccoc1)C(=O)NC[C@@H](c1ccccc1)N(C)C 95954593 PUSMALKMRFQNIC-INIZCTEOSA-N 301.390 2.724 0 40 DFAB C[C@@H](CNC(=O)[C@H](C)COCc1ccccc1)CN1CCCC1 58290908 HVUJREHXZOKNOB-DLBZAZTESA-N 318.461 2.687 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccncc1 58281705 WFLBJWXQXUODAN-CYBMUJFWSA-N 310.275 2.564 0 40 DFAB O=C(Cn1ccnc1)NCC1(c2ccc(F)cc2)CCCC1 52356826 CVATXUYNRCQHID-UHFFFAOYSA-N 301.365 2.650 0 40 DFAB CCOc1ncccc1CNC(=O)N[C@@H](C)c1ccc(C)o1 44951205 LZGYUDPCHISMKQ-LBPRGKRZSA-N 303.362 2.942 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1nnc2n1CCC2 44934493 NALIFSMPWCYLKF-LBPRGKRZSA-N 310.401 2.594 0 40 DFAB COc1cccc2c1CCCCN2C(=O)[C@@H]1C[C@@H]2CC[C@@H]1O2 104315304 MLKLBSWOHSOFPD-QEORTHHSSA-N 301.386 2.932 0 40 DFAB CCOc1ccc(C(=O)Nc2ccccc2-n2cncn2)cc1 28024185 AJMZKGMWVGGYCS-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB CCn1c(SCC(=O)NC(C)C)nnc1-c1cccs1 3334344 GDMAMRJEYUUFPZ-UHFFFAOYSA-N 310.448 2.643 0 40 DFAB COCc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 36393464 KHAZEUMMSGYXHT-HOTGVXAUSA-N 318.461 2.931 0 40 DFAB COc1ccccc1/C=C/C(=O)Nc1cccnc1-n1cccn1 36396103 UWTUISNHIVRIRB-MDZDMXLPSA-N 320.352 2.928 0 40 DFAB CC(C)CN1CCC(NC(=O)NCCc2ccsc2)CC1 45463923 MVLIVIQHHQSNLF-UHFFFAOYSA-N 309.479 2.710 0 40 DFAB CC(C)c1ccc(Cc2c(O)nc3n(c2=O)CCS3)cc1 10382070 MEBGPFHNZQPZIZ-UHFFFAOYSA-N 302.399 2.769 0 40 DFAB CCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 2467401 XQTQPZUUIZFPNO-UHFFFAOYSA-N 315.822 2.563 0 40 DFAB CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccco1 28965700 LBCNMWDQROXQRI-UHFFFAOYSA-N 324.178 2.508 0 40 DFAB CCc1ccc(-c2n[nH]c(SCCN3CCOC3=O)n2)cc1 29387818 DFWDSZFNPXJOQM-UHFFFAOYSA-N 318.402 2.578 0 40 DFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(C(=O)O)c1 20144152 DLDUPOALOFXBPS-UHFFFAOYSA-N 321.716 2.761 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)cc1 3491484 LHVXLGIQVSNZMG-UHFFFAOYSA-N 307.371 2.616 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)NC[C@H]1CCCO1 2778994 WXSRDSDBIHHFSA-DTWKUNHWSA-N 321.755 2.639 0 40 DFAB CC(=O)c1cc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)n(C)c1 47005957 DALOJRJGTLWUNL-LRDDRELGSA-N 306.406 2.553 0 40 DFAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)s1 6383877 FROZVAFDVHHXGX-UHFFFAOYSA-N 305.742 2.880 0 40 DFAB COC(=O)c1ccc(CSCC(=O)Nc2cc(C)on2)cc1 14019218 GHYBWPMVTCNKME-UHFFFAOYSA-N 320.370 2.642 0 40 DFAB CN(Cn1nc(-c2ccncc2)n(C)c1=S)C1CCCC1 14239850 PTYXPJUNIRFGIZ-UHFFFAOYSA-N 303.435 2.845 0 40 DFAB CN(CCS(=O)(=O)Oc1ccccc1)Cc1ccc(F)cc1 14200877 QUCIZIJJYVUESG-UHFFFAOYSA-N 323.389 2.666 0 40 DFAB COCCN(CCCc1ccccc1)C(=O)[C@H](C)n1ccnc1 65911648 FRRVFFILZZUTJC-INIZCTEOSA-N 315.417 2.552 0 40 DFAB COc1cccc(Cc2nnc(SCc3nccn3C)o2)c1 66256859 UGJKKDQJPWHRRT-UHFFFAOYSA-N 316.386 2.695 0 40 DFAB COc1cccc(-c2noc(CCC(=O)NC(C)(C)C)n2)c1 4784021 PAKNHAAOPAONPW-UHFFFAOYSA-N 303.362 2.593 0 40 DFAB Cc1cc(C)c(CNC(=O)CCCc2cccs2)c(=O)[nH]1 7118357 IWQNPWLCBMMSKB-UHFFFAOYSA-N 304.415 2.692 0 40 DFAB O=C(COC(=O)C1(c2ccccc2)CC1)N1CCc2ccccc21 7490236 YZFPYJQLYYFIHT-UHFFFAOYSA-N 321.376 2.851 0 40 DFAB COC(=O)C[C@H](NC(=O)Cc1ccc(C)cc1)c1ccccc1 9503594 AMTLJTYETXAGRS-KRWDZBQOSA-N 311.381 2.958 0 40 DFAB Cc1cccc(NC(=O)CCN2C(=O)COc3ccccc32)c1 7914658 RMDGNPKCWXZKBV-UHFFFAOYSA-N 310.353 2.749 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc(C(C)(C)C)cs1 71882916 BPAPNVRONRRKRW-SNVBAGLBSA-N 319.430 2.630 0 40 DFAB Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1C 81323003 TUADBKXNPMUSOJ-ZBFHGGJFSA-N 323.458 2.790 0 40 DFAB CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 71869353 WDAVNFVFHOYWEZ-KCQAQPDRSA-N 310.438 2.796 0 40 DFAB CCn1ccnc1SCc1nnnn1-c1cc(C)ccc1F 69437412 GYOUOEXSKQYNDG-UHFFFAOYSA-N 318.381 2.619 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCC[C@H]2CCCO2)c1 71909732 JBRJDRMQEQQDGD-OAHLLOKOSA-N 302.418 2.894 0 40 DFAB CCN(CC(=O)Nc1ccc(C)cc1Cl)C[C@@H]1CCOC1 71908291 UYOOFWIVAHAEIM-ZDUSSCGKSA-N 310.825 2.945 0 40 DFAB COc1ccccc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1 8708297 XDTPBWBDGGHXSU-NSHDSACASA-N 316.323 2.908 0 40 DFAB CN1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)C(F)(F)F 110576463 DOODRXCSYGWDOL-UONOGXRCSA-N 314.351 2.933 0 40 DFAB COc1ccc(-c2noc(-c3nc(C(C)C)no3)n2)cc1OC 98212375 MRUJNPKBTVBBJB-UHFFFAOYSA-N 316.317 2.927 0 40 DFAB CCCn1cc(CNc2ccc(C)c(S(C)(=O)=O)c2)cn1 97051280 VIISFHMVKKHGBS-UHFFFAOYSA-N 307.419 2.617 0 40 DFAB Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72292318 OSNUBWCOWRBCFB-BXUZGUMPSA-N 316.405 2.599 0 40 DFAB O=C(NCc1ccc(F)cc1)c1noc(Cc2ccccc2)n1 95959376 AGQZTFRZZWDEHT-UHFFFAOYSA-N 311.316 2.730 0 40 DFAB O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1cn[nH]n1 75093058 MQYZJYSCSATBRQ-UHFFFAOYSA-N 310.361 2.981 0 40 DFAB Cc1cc(=O)[nH]cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 75109116 LVNIEPRBAIVRAW-VIFPVBQESA-N 307.300 2.844 0 40 DFAB O=C(NC1(c2nccs2)CCCC1)c1cc(C2CC2)[nH]n1 89885322 RGRNIGPCDORFQA-UHFFFAOYSA-N 302.403 2.943 0 40 DFAB CCOCc1ccccc1CNC(=O)CN1C[C@@H]2CCC[C@H]2C1 89988683 ICXFIKGTNLQQKD-IRXDYDNUSA-N 316.445 2.571 0 40 DFAB Cc1ccccc1[C@@H]1CN(Cc2cc(=O)c(O)co2)[C@@H](C)CO1 110641090 CYTOSOWBTWJUGZ-UGSOOPFHSA-N 315.369 2.616 0 40 DFAB CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccsc1)c1ccco1 669453516 YXKAKMPLMZSFIM-CYBMUJFWSA-N 321.398 2.931 0 40 DFAB CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)N(C)C1=S 409040068 SHWYBIQTULZNCQ-WTKPLQERSA-N 317.197 2.729 0 40 DFAB O=C(Nc1cnc(N2CCCC2)nc1)c1c(F)cccc1F 65224841 HKPBXQHKKICZKY-UHFFFAOYSA-N 304.300 2.607 0 40 DFAB Cn1cnc2nc(O)cc(C(=O)N[C@H](c3ccccc3)C3CC3)c21 557492064 XIWWGSUZCYTVHF-OAHLLOKOSA-N 322.368 2.555 0 40 DFAB CN1CC[C@@H](Nc2ccc3cc(Br)ccc3n2)C1=O 77226604 OSMJCOHFDBNZDP-GFCCVEGCSA-N 320.190 2.640 0 40 DFAB O=C(O)C1CCN(c2cc(Nc3cccc(F)c3)ncn2)CC1 217360799 IKHXZJBUZNFVAV-UHFFFAOYSA-N 316.336 2.660 0 40 DFAB Cc1nnc(O)c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1C 76392410 RFCIITZZVPLRTA-CHWSQXEVSA-N 317.776 2.738 0 40 DFAB COc1cc(CN(C)C(=O)NCc2ccccc2)ccc1O 32779468 PFFPTDXFKRJDOH-UHFFFAOYSA-N 300.358 2.742 0 40 DFAB Cc1nccn1CCCNC(=O)/C=C/c1cn(C)c2ccccc12 79679076 HPLOICATYSSTOP-CMDGGOBGSA-N 322.412 2.903 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccsc2)cc1 129738977 NAEPPCZWJYIAHF-LBPRGKRZSA-N 323.439 2.649 0 40 DFAB c1nnc(Nc2cncc([C@@H]3CCCN3CC3CC3)n2)s1 72376297 LXRDOXKUKZCWAI-LBPRGKRZSA-N 302.407 2.619 0 40 DFAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCC[C@@H](CO)C1 77484548 AWGLMJCXOPPMPG-CYBMUJFWSA-N 317.364 2.853 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(OC)c2)cc1 72228077 KTCIVZZMIYZWLD-SJORKVTESA-N 312.369 2.509 0 40 DFAB CCc1nc(C)cc(N2CCC[C@H]2c2nc(C(=O)O)cs2)n1 567983870 WELSHJJKPATCEV-NSHDSACASA-N 318.402 2.844 0 40 DFAB C[C@](O)(CNC(=O)c1cc(F)c(F)c(F)c1)c1ccsc1 80892425 MTAWPHXLGOIIIW-AWEZNQCLSA-N 315.316 2.803 0 40 DFAB Cc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 47276411 INXFXTGIEWBLBD-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB CCO[C@](C)(C(=O)Nc1ccc(OCCOC)nc1C)C1CC1 225902418 LVPCRAIUGWGKPL-KRWDZBQOSA-N 322.405 2.559 0 40 DFAB COc1ccc(CN(C)C(=O)COc2cccc(OC)c2)cc1 44508838 YQJFIOLWVHVYAZ-UHFFFAOYSA-N 315.369 2.741 0 40 DFAB COc1cccc(CCC(=O)NCCc2ccccn2)c1F 225491184 OFRDHMSTTDMARO-UHFFFAOYSA-N 302.349 2.521 0 40 DFAB COc1cccc(-c2noc([C@H](C)NC(=O)c3ccccn3)n2)c1 96432742 AOWVYTYDIQQRKP-NSHDSACASA-N 324.340 2.631 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 96404738 AFFBCRQVVOJCRE-CVEARBPZSA-N 304.821 2.750 0 40 DFAB COc1cnc(NC(=O)C[C@@H](C)c2ccccc2OC)nc1 583942412 CURHWTKMEWEEPP-LLVKDONJSA-N 301.346 2.626 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCC[C@@H]2CCCO2)o1 96503254 SHSBBEGRHVFMJF-ZFWWWQNUSA-N 322.405 2.842 0 40 DFAB C[C@H]1OCCN(C(=O)NCc2c(F)c(F)cc(F)c2F)[C@@H]1C 96480365 MJQYENQCZUDYMB-HTQZYQBOSA-N 320.286 2.562 0 40 DFAB COc1nc(CN2Cc3ccccc3[C@H](C(=O)O)C2)ccc1C 1594156675 XJGOFVVNUWVSMG-MRXNPFEDSA-N 312.369 2.583 0 40 DFAB COc1ccc(NCc2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1 95534113 VUULVZFUFWSDOS-QGZVFWFLSA-N 323.400 2.782 0 40 DFAB Cc1sc2ncnc(N[C@@H]3COC4(CCNCC4)C3)c2c1C 95386940 XELATEPMMJSTSE-LBPRGKRZSA-N 318.446 2.631 0 40 DFAB CC(C)CC(=O)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257220706 DLUCLGAZGMTAMB-KRWDZBQOSA-N 316.445 2.977 0 40 DFAB O=C(Cc1cccc2ccccc12)N[C@H]1CCn2nccc2C1 253472329 LJTBPTOYEXASRA-INIZCTEOSA-N 305.381 2.710 0 40 DFAB O=C(c1ccccn1)N1CCO[C@@H](Cc2cccc(Cl)c2)C1 257275999 NRXYMSKHDOINPZ-HNNXBMFYSA-N 316.788 2.819 0 40 DFAB CN1CCC[C@@H]2N(C(=O)COc3cccc(F)c3)CCC[C@@]21C 257307888 TUNFFVXNCXHXNM-WMZOPIPTSA-N 320.408 2.680 0 40 DFAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1 358677319 KNRHHAIEJAKUTN-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB C[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 253369778 IBDFXKBOVGHMDY-HONMWMINSA-N 314.223 2.640 0 40 DFAB Cc1cn(C)nc1NC(=O)Cc1nc(-c2ccco2)c(C)s1 636230794 OQNBLSNNBRZBLH-UHFFFAOYSA-N 316.386 2.935 0 40 DFAB c1coc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c1 585105209 QHMUWHRXAFOIBW-MRXNPFEDSA-N 323.458 2.783 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)CCc2cnn(C)c2)n1 72240526 IHYMTMNHABVKFN-AWEZNQCLSA-N 318.446 2.871 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2scnc2C)c(OC)c1 44954211 CHXILMIFXFJWDV-SECBINFHSA-N 306.387 2.960 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cnns2)c1 47623710 DHRHYVKNQDMEID-LBPRGKRZSA-N 319.386 2.533 0 40 DFAB O=C(NCc1cccs1)NC[C@@H](c1ccco1)N1CCCC1 40474203 ROUXSITZWCBLHC-AWEZNQCLSA-N 319.430 2.977 0 40 DFAB Cn1cccc1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 75353876 YPEBYPBELJTBSP-QGZVFWFLSA-N 314.385 2.513 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NC[C@H](C)c1ccsc1 76091753 OOMLZRIQRKVMDU-NSHDSACASA-N 305.447 2.951 0 40 DFAB CCCC1(CNC(=O)c2c(C)oc3ncn(C)c(=O)c23)CCC1 79102069 LLUYXVJGHBOWQK-UHFFFAOYSA-N 317.389 2.535 0 40 DFAB CN(Cc1ccc2ccccc2n1)[C@H]1CCC[C@@H]1S(C)(=O)=O 84092504 TYOSXKZONSILCW-IRXDYDNUSA-N 318.442 2.632 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCc2ccccc21 88198201 PCTPHINPSIKEJW-HZPDHXFCSA-N 324.428 2.912 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2C(=O)Nc3ccccc32)C1 91303124 KRXBVSHIOQCWIO-BXUZGUMPSA-N 302.374 2.979 0 40 DFAB in-vitro CCOc1ccc(OCC)c(NC(=O)[C@@H](C)n2ccnc2)c1 42129805 QQOOHLPSGDOKJW-GFCCVEGCSA-N 303.362 2.880 0 40 DFAB CN(c1ccccc1NC(=O)Nc1ccccc1)S(C)(=O)=O 16188872 PEJAZHBWZCBPKY-UHFFFAOYSA-N 319.386 2.726 0 40 DFAB Cc1cc(C)n(CCCN(C)Cc2c(C)nc3ccccn23)n1 19654480 RPKJGQNJHQPRLL-UHFFFAOYSA-N 311.433 2.978 0 40 DFAB CCOc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(N)c1 226349620 PKARHBMGBRDYPU-UHFFFAOYSA-N 316.357 2.937 0 40 DFAB COc1ccc(NC(=O)COc2cc(C)ccc2C)c(N)c1 20344488 RIUQXUNIPRYJFR-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)O 26423609 NUEGZGFFDQSUAJ-JTQLQIEISA-N 304.371 2.559 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc[n+]([O-])cc1 5961972 QNUGCLGXQVALDU-LBPRGKRZSA-N 324.336 2.538 0 40 DFAB CCn1nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2c1=O 8133424 HGMUUASTWGFNFY-CHWSQXEVSA-N 313.401 2.535 0 40 DFAB COCCNC(=O)NCCc1ccc(-c2cccs2)s1 1889148772 GFENXPVFFVUTGP-UHFFFAOYSA-N 310.444 2.965 0 40 DFAB COc1c(Cl)cc(C(=O)N2CCC[C@@H]2C(=O)O)cc1Cl 33456692 OPOYGQPWJKZGPT-SNVBAGLBSA-N 318.156 2.691 0 40 DFAB CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CCC(=O)N2Cc2ccccc2)O1 2037850042 KQEMNCDPFJYFIT-MDZRGWNJSA-N 317.429 2.886 0 40 DFAB Cc1ccc(CNC(=O)COc2nc(C)nc3ccccc23)cc1 3562907 AEKFTSJXELGJNM-UHFFFAOYSA-N 321.380 2.942 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)c3cc(F)ccc3O2)cc1 15085339 OAHBPUWPYQFQLU-MRXNPFEDSA-N 315.300 2.807 0 40 DFAB Cc1ccc(Nc2ccc(NC(=O)c3cnccn3)cc2)nn1 49372076 RIULUTUYZNEIPK-UHFFFAOYSA-N 306.329 2.571 0 40 DFAB CC(C)NC(=O)CCNc1ncnc2sc3c(c12)CCCC3 40067550 XGRIPRQKUBFXFN-UHFFFAOYSA-N 318.446 2.897 0 40 DFAB CC1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2Cl)CC1 40159444 CIRGJVGBEZFORH-GFCCVEGCSA-N 308.809 2.717 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)C1(c2ccccc2)CC1 31243873 XABGRMOZDWIIRU-OAHLLOKOSA-N 309.365 2.674 0 40 DFAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCc2sccc2C1 40487669 ZNNABAMAFIDYHK-LBPRGKRZSA-N 318.446 2.911 0 40 DFAB CCc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)sc1C 40505386 OSFLPVMUHVKABX-ZDUSSCGKSA-N 318.446 2.767 0 40 DFAB C[C@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)C[C@H](C)O1 40540524 ZVFHXZOFXWZMBC-UWVGGRQHSA-N 300.305 2.929 0 40 DFAB C[C@@H]1CC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O 101487810 RCAKFBCLAPVQFY-LLVKDONJSA-N 300.383 2.629 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)c(F)c1 32804226 HGKCFNHPBVVLLV-KWQFWETISA-N 318.270 2.530 0 40 DFAB CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NC(C)C)C1 32913017 VHYPMIGYVLSPJE-LSDHHAIUSA-N 311.470 2.757 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc[n+]2[O-])C2CC2)o1 52775422 AMLNWEGSBDMAAR-SWLSCSKDSA-N 312.369 2.841 0 40 DFAB C[C@H]1C(=O)N(C[C@H](O)c2ccccc2)C(=O)N1c1ccccc1 22094931 WUPOWIVQLCHKME-BBRMVZONSA-N 310.353 2.577 0 40 DFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccn2)CC1=O 53280909 AMWHDRUSLSKDRI-HIFRSBDPSA-N 309.369 2.630 0 40 DFAB COc1ccc(OC)c(N2C(=O)Nc3ccccc3N2O)c1 174734 GSXVKQFOUVYIRY-UHFFFAOYSA-N 301.302 2.867 0 40 DFAB O=S(=O)(Cc1cnn(-c2ccccc2)c1)c1cccs1 84576648 HISKYGWJCSPLEI-UHFFFAOYSA-N 304.396 2.908 0 40 DFAB Cc1cc(C(=O)NCc2cc(F)ccc2-n2ccnc2C)no1 77614290 WVCHKGLKQVGROA-UHFFFAOYSA-N 314.320 2.546 0 40 DFAB CCOC(=O)C(Nc1ccc(Cl)c(Cl)c1)C(=O)OCC 1687809 CJHSQFQFBBRLNQ-UHFFFAOYSA-N 320.172 2.900 0 40 DFAB Cn1cc(CCOC(=O)c2cccc(C(F)(F)F)c2F)cn1 79755342 KWLQOURHLAUDAU-UHFFFAOYSA-N 316.254 2.978 0 40 DFAB O=C1[C@@H](N2CCCc3sccc3C2)CCN1CC(F)(F)F 95395065 FSAUSVURMNUMGU-NSHDSACASA-N 318.364 2.660 0 40 DFAB CC(C)(C)CCCCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 104768265 GVQVPUDCNCJMIH-UHFFFAOYSA-N 317.389 2.908 0 40 DFAB Cc1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCCO3)n1C 23575219 JZEUKDKCWJRPEB-UHFFFAOYSA-N 320.776 2.688 0 40 DFAB O=C(CN1C(=O)c2ccccc2C1=O)NC1CCCCCCC1 3611984 OLYQYLJPSYCPSH-UHFFFAOYSA-N 314.385 2.512 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2cccnc2)C1 54540044 HTOZFAQKIDCJBQ-GASCZTMLSA-N 318.465 2.637 0 40 DFAB O=C1CC[C@]2(C(=O)Nc3cccnc3)Sc3ccccc3N12 12564846 HAZVTOIZDOMJFZ-MRXNPFEDSA-N 311.366 2.649 0 40 DFAB CCCn1nnnc1COC(=O)c1sc2ccccc2c1C 7568258 OFKSMOPRTYPDRZ-UHFFFAOYSA-N 316.386 2.963 0 40 DFAB C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@@H](c2ccsc2)O1 89936966 VDHMWURKVAVJMX-DOMZBBRYSA-N 317.414 2.815 0 40 DFAB c1ccc2c(c1)oc1c(NCc3nnc4n3CCC4)ncnc12 24904589 KWIYHDUPCWHIJU-UHFFFAOYSA-N 306.329 2.526 0 40 DFAB COc1cccc(CNC(=O)COc2cccc(C(C)=O)c2)c1 25006191 DJXKYILDVJVKBP-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=S)NC(C)C 8150429 DHNRYRINVWMLOR-UHFFFAOYSA-N 302.447 2.862 0 40 DFAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]1c1cccs1 8319901 WLIKUSARDMQZAJ-LLVKDONJSA-N 309.435 2.509 0 40 DFAB Cc1ccc(C)c(OC2CCN(C(=O)c3cnsn3)CC2)c1 55709700 MKNYYKJHSURGKE-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)cc1 8699179 RGTVWKKHWZDFNK-MSOLQXFVSA-N 311.381 2.995 0 40 DFAB Cc1ccc(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c(OC(C)C)c1 108106225 DMBFMFRZIPQQIZ-OWCLPIDISA-N 318.417 2.901 0 40 DFAB Cc1nccn1CCCNC(=O)NCCCc1ccccc1 57461382 GAMZAJHLBUYITL-UHFFFAOYSA-N 300.406 2.514 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 9064295 XKGHGGAEBSWOJQ-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2ccccc2)cc1 3268292 YPWXXCNQOGZMDN-UHFFFAOYSA-N 319.382 2.665 0 40 DFAB COc1ccccc1NC(=O)c1nn(-c2ccccc2)nc1C 12687215 VFKLKMSVIPAYMM-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB O=C(NCc1cccs1)NC1CCN(c2ccccn2)CC1 44948619 WVMGYPSCQDCCKR-UHFFFAOYSA-N 316.430 2.611 0 40 DFAB Cn1nccc1C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 58304728 FJGPXZCJQRELEM-QGZVFWFLSA-N 319.836 2.987 0 40 DFAB CCc1nc2c(s1)[C@H](N[C@H]1CCCN(CCOC)C1)CCC2 95422076 GZZHSOLEBYGMLJ-UONOGXRCSA-N 323.506 2.783 0 40 DFAB c1cncc(CN2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)c1 107257171 VOHAWVZHFZPXLG-YTQUADARSA-N 324.428 2.568 0 40 DFAB CCOC(=O)c1c(O)c2ccc(C)nc2n(CCC(C)C)c1=O 100227124 MPBGZTIOXORXDI-UHFFFAOYSA-N 318.373 2.633 0 40 DFAB CN1CCC(NC(=O)N(Cc2ccccc2F)C2CCC2)CC1 95412350 OKOMDFDJWPTCNC-UHFFFAOYSA-N 319.424 2.984 0 40 DFAB Cc1ccc(CC(=O)NC[C@H](c2ccco2)N(C)C)cc1C 3363831 XYBVOSAZFBEJTL-MRXNPFEDSA-N 300.402 2.858 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@@H]3CCCO3)c2)cs1 58963970 WYPPKRSJLBKYAS-LBPRGKRZSA-N 305.403 2.698 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(F)c1 3315353 OIXBOBZAURMPGH-UHFFFAOYSA-N 313.328 2.962 0 40 DFAB CCCc1nnc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 36692449 PJILRNQJTIVBCT-UHFFFAOYSA-N 306.391 2.890 0 40 DFAB Cc1ccccc1NCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100571181 YQPFKHWXSHHUGF-OLZOCXBDSA-N 304.777 2.882 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)c1ccccc1F 28914913 IABJPTGMQQZEST-CQSZACIVSA-N 318.279 2.515 0 40 DFAB O=C(O)c1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1 45796168 ZIOBJRWZOQGYHK-UHFFFAOYSA-N 310.353 2.823 0 40 DFAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cnn(C)c1 27919813 FBNOEAOZMBWMAW-JTQLQIEISA-N 322.206 2.603 0 40 DFAB CCc1ccc(NC(=O)CNc2ccc(-n3cncn3)cc2)cc1 46489219 GCCGHNPRYXTOEY-UHFFFAOYSA-N 321.384 2.880 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1 24257866 ZWCKJWGRZVWDJX-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(CCC(C)C)C2CC2)cc1 12894070 ZUQMQQBHDCSWTN-UHFFFAOYSA-N 324.446 2.844 0 40 DFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(Cl)c1Cl 49091284 FKCJRDGPABTNJW-RKDXNWHRSA-N 315.200 2.719 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCc2ccccc2C1 13363638 RAJNETPCEAINQF-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB CCOc1ccc(NC(=O)N2CCOCC2)c(C(F)(F)F)c1 64564188 CMWBPBYXIVPTFQ-UHFFFAOYSA-N 318.295 2.968 0 40 DFAB C[C@@H]1CCCN(C(=O)COC[C@@H]2CCOC2)c2ccccc21 96013980 CQUWVWDYSYBOCF-HUUCEWRRSA-N 303.402 2.970 0 40 DFAB Cc1ccc(C)n1N(CC(=O)O)C(=O)c1ccccc1Cl 13847115 RNRQFQRYDGPFSL-UHFFFAOYSA-N 306.749 2.621 0 40 DFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCc1ccc(Cl)cc1 65474669 UQBHKOWWJAXMTD-TZMCWYRMSA-N 322.836 2.775 0 40 DFAB CN(Cc1ccc(SC(F)F)cc1)c1cncc(C(N)=O)n1 95408564 VESHKFZNLKPTQU-UHFFFAOYSA-N 324.356 2.527 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](C)[C@@H]2C)c1 95454897 YRHCIQBVQWIKRE-QWHCGFSZSA-N 319.405 2.922 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[C@H](N4CCCC4)C3)cc2o1 66158933 ZHNPGVNXDDUASJ-AWEZNQCLSA-N 314.389 2.838 0 40 DFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)ccc1Cl 5670744 GARIWAGWGZZYCS-MRVPVSSYSA-N 322.213 2.757 0 40 DFAB O=C(CSC1=NCCS1)NC12CC3CC(CC(C3)C1)C2 4963306 ANXAEZHNGYFVEB-UHFFFAOYSA-N 310.488 2.907 0 40 DFAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nncs1 7194150 BZPDFDGVLDTETG-IUCAKERBSA-N 311.436 2.825 0 40 DFAB O=C(CSc1nnnn1C1CC1)N(C1=CCCCC1)C1CC1 8545223 GSDJEEWBBQKUOH-UHFFFAOYSA-N 319.434 2.549 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2Cc2c(C)nn(C)c2Cl)n1 71878654 KEQDLKVVZCLSMD-CQSZACIVSA-N 321.856 2.860 0 40 DFAB COc1cccc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1 8734629 SCFRHQCQQFXKKF-CQSZACIVSA-N 318.398 2.963 0 40 DFAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccsc2)CC1 71835155 HYUAKDDLKGPSPK-CABCVRRESA-N 316.426 2.789 0 40 DFAB COC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 18960002 RFPLWXSIMWVQPG-UHFFFAOYSA-N 314.366 2.606 0 40 DFAB O=c1[nH]nc(CNC2(c3ccc(Cl)cc3)CCCCC2)[nH]1 92642987 VDSXTCHUXTWMAB-UHFFFAOYSA-N 306.797 2.701 0 40 DFAB CCc1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1F 97034209 GESSKJXZNAZEIG-ZYHUDNBSSA-N 307.369 2.506 0 40 DFAB Cc1nccc(NC(=O)N[C@@H](CO)c2ccccc2)c1Cl 97096195 MPLMTIVGKCAWOD-ZDUSSCGKSA-N 305.765 2.899 0 40 DFAB COc1ccc(-c2[nH]ncc2C)cc1I 85395303 ANBQKMMEDFOBEN-UHFFFAOYSA-N 314.126 2.998 0 40 DFAB COc1ccc(CC(=O)NCCCn2ncc3ccccc32)cc1 72239445 ODAMVIQADRNBJC-UHFFFAOYSA-N 323.396 2.794 0 40 DFAB COCCn1cc(C(=O)NCc2cccn2C)c2ccccc21 75354937 ITAJRZLMNVQVBM-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCC2 84338884 OEOWFXNHLPWDIX-SNVBAGLBSA-N 318.364 2.603 0 40 DFAB CC[C@@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 21167577 URBIZCSWRMJDHW-SNVBAGLBSA-N 302.422 2.741 0 40 DFAB Cc1nc(CCNC(=O)COc2ccc(C)c(C)c2)cs1 27793744 PFGOIOOVLZEHJY-UHFFFAOYSA-N 304.415 2.806 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Cc1ccccc1Cl 408625305 XIZCKGZRLZQNGW-UNXFNURESA-N 313.784 2.893 0 40 DFAB CCCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)CC)CC2=O)cc1 408708475 QMNQYTYGEHQMBV-UONOGXRCSA-N 318.417 2.743 0 40 DFAB C1CCC2(CC1)O[C@@H]1[C@@H]3OC4(CCCCC4)O[C@H]3OC[C@H]1O2 36416761 MNXYIFLXTZJYIW-CBBWQLFWSA-N 310.390 2.863 0 40 DFAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Cc2cccnc2)C1 71256105 FTJSIXIIJSZUGK-CQSZACIVSA-N 304.390 2.840 0 40 DFAB Oc1nc(-c2ccncc2)nc2c1CN(C[C@@H]1CC=CCC1)CC2 72339828 APKUCCMOIKTZRH-CQSZACIVSA-N 322.412 2.959 0 40 DFAB COCCO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(C)c2C)C1 188798166 XIZTWGAIGMNWEC-JKSUJKDBSA-N 320.433 2.811 0 40 DFAB COCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1 72351267 AUNMHQYVWXPMMO-CYBMUJFWSA-N 321.446 2.673 0 40 DFAB C[C@@H](C(=O)N1CCCC1)N1CCC(Nc2ccccc2F)CC1 72688358 AMPNYIJJPYEIHS-AWEZNQCLSA-N 319.424 2.713 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@H]1c1cccs1 72238109 PQPYFPMAOSLMIT-CJNGLKHVSA-N 320.458 2.964 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1 72241877 OEKAGKTYIFWZSF-WBVHZDCISA-N 318.392 2.794 0 40 DFAB COCCN(Cc1ccsc1)S(=O)(=O)c1ccccc1 44446930 HVMKJIXVICNFHF-UHFFFAOYSA-N 311.428 2.585 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccnc2)c2cccc(Cl)c2O1 191567419 WWUDNPMMRMMXDC-JTQLQIEISA-N 324.789 2.711 0 40 DFAB C/C(=C\c1ccccc1)C(=O)NCc1nc(-c2cc(C)on2)no1 225813733 UWYDBQGMALHPEY-DHZHZOJOSA-N 324.340 2.753 0 40 DFAB Cc1cc(-n2nc(C)c(C(=O)O)n2)c(C)cc1Br 45957950 LUTWPCHBCSPTEI-UHFFFAOYSA-N 310.151 2.653 0 40 DFAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 225650020 WBASAGFWKAIDJO-QGZVFWFLSA-N 308.422 2.771 0 40 DFAB CCc1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41123611 NLVHWQGRYJXNFE-NSHDSACASA-N 305.403 2.642 0 40 DFAB O=C(COc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 49909236 CQZJSSKXZSDEMB-UHFFFAOYSA-N 317.307 2.504 0 40 DFAB O=C(Cc1ccn(-c2ccccc2)n1)N1CC(CC(F)F)C1 577624168 QRWXXWXDUBJACH-UHFFFAOYSA-N 305.328 2.528 0 40 DFAB CCS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 96478811 RWWRSJGLNWHOCS-DUVNUKRYSA-N 317.462 2.987 0 40 DFAB C[C@@]1(C(=O)Nc2nccs2)CC(c2ccccc2F)=NO1 96192512 NOGAOFSBBBJQAJ-AWEZNQCLSA-N 305.334 2.804 0 40 DFAB Cc1cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)nn1C 96431973 DFJFFMXMWJXQSP-NSHDSACASA-N 307.781 2.579 0 40 DFAB CCOc1ccc(CCC(=O)N2C[C@@H]3C[C@@H](C)O[C@@H]3C2)cc1 96045776 JLSYFMLUDSTTBI-UKPHBRMFSA-N 303.402 2.654 0 40 DFAB Cc1occc1CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 96425144 NMCXSMRUYVKVFK-LSDHHAIUSA-N 313.353 2.779 0 40 DFAB C[C@@H]1OCCN(C(=O)NCc2c(F)c(F)cc(F)c2F)[C@H]1C 96480360 MJQYENQCZUDYMB-YUMQZZPRSA-N 320.286 2.562 0 40 DFAB CCC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244360 PUQSWEWUPQFEDH-LJQANCHMSA-N 323.396 2.554 0 40 DFAB COc1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 96419993 LZRNHHFMIWTWCN-HNNXBMFYSA-N 305.761 2.812 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccoc1)[C@H]2C 96201199 NTRBJNCLMKGEAF-AWEZNQCLSA-N 302.422 2.893 0 40 DFAB COCC[S@@](=O)Cc1cccc(NC(=O)CCC(C)C)c1 96408216 BEKVYKAEKLQSHB-NRFANRHFSA-N 311.447 2.956 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2C)n1 240886196 INRIWSSLSRRVRX-UHFFFAOYSA-N 303.749 2.655 0 40 DFAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@@H]2CCCN(C)C2)n1 257334119 YEQKTGXKFNCWKC-OAHLLOKOSA-N 311.385 2.959 0 40 DFAB Cc1c[nH]c(-c2cncc([C@H]3CCCN3c3ccnc(C)n3)n2)n1 257289971 QAYRIIBFUPHEEJ-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB CN(C(=O)c1ccc(Cc2ccccc2)nc1)C1CCOCC1 257305252 SPBZQKDUBFUWMV-UHFFFAOYSA-N 310.397 2.923 0 40 DFAB c1ccc(-c2noc(C3CCN(CCn4cccn4)CC3)n2)cc1 69894064 MOYIBEQVTAHHOE-UHFFFAOYSA-N 323.400 2.813 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 257328298 XFAZPTDNLWXSIO-RDJZCZTQSA-N 304.438 2.622 0 40 DFAB C[C@H]1CN(CC(=O)O)c2ccccc2N(Cc2ccccc2)C1=O 374403803 VTJXXNUFEXUMQD-AWEZNQCLSA-N 324.380 2.761 0 40 DFAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1 58231832 USGRYGAYDGZSOJ-QGZVFWFLSA-N 318.465 2.566 0 40 DFAB Cc1cc2c(N3CCN(c4ccccc4C)CC3)nccn2n1 274750858 MKSJJXKKLJMCCK-UHFFFAOYSA-N 307.401 2.673 0 40 DFAB O=C(NCCC1Cc2ccccc2C1)NC[C@H]1CCC[C@@H](O)C1 95440865 GIONECOUXMHCKZ-MAUKXSAKSA-N 316.445 2.642 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 5184339 FZPOYTSPAAJAJK-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB C[C@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@@H]1O 12148139 OSQMEDIKTBFXHM-YJBOKZPZSA-N 312.413 2.863 0 40 DFAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)C3CC3)C2)on1 12154530 FGUNRQPEHQAQOH-ZDUSSCGKSA-N 312.373 2.556 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)NC[C@H]1COc2ccccc2O1 16849556 IAPWYWGRMQEQIC-VSGCLNPGSA-N 313.328 2.795 0 40 DFAB O=C(Cc1cccc(F)c1)N1CCN(c2ccc(F)cc2)CC1 19934928 YHJUZBYSZZTPIW-UHFFFAOYSA-N 316.351 2.856 0 40 DFAB CCOCCCNC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1 153177675 RRLQNWYGFCKYCW-MRXNPFEDSA-N 308.466 2.598 0 40 DFAB Cc1cc(Cl)ccc1OCCCc1nnc2n1CCOC2 569139687 QOJPSWYIRCLXJI-UHFFFAOYSA-N 307.781 2.782 0 40 DFAB O=C(NC1CCCCC1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888866328 ZMOUDCHWMJOKKH-STQMWFEESA-N 320.462 2.553 0 40 DFAB O=C(Nc1nncs1)c1c[nH]c(=S)n1-c1ccccc1 21215055 VXDBIOMFSSXSNP-UHFFFAOYSA-N 303.372 2.639 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccsc1 8937272 UUAZAIMUPVJMMX-UHFFFAOYSA-N 317.338 2.997 0 40 DFAB Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1Br 28576472 PCRDZOAUSCAFFJ-UHFFFAOYSA-N 314.227 2.521 0 40 DFAB CC1(C)Cc2cccc(OCC(=O)NCc3ccco3)c2O1 5557187 YEWWZHXYDCOTHG-UHFFFAOYSA-N 301.342 2.688 0 40 DFAB CCc1ccc(S(=O)(=O)NCCOc2ccccc2)s1 23143429 ZFGXWSYDUYNKKO-UHFFFAOYSA-N 311.428 2.668 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccccc3C)nc2s1 30284195 BRGUAGLABNCENW-UHFFFAOYSA-N 300.387 2.634 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)CN3CCCC3=O)cc2C1 40156874 RUUWESAKNGMUKG-RYUDHWBXSA-N 320.458 2.614 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2ccccc21 218785 OEWLZWFEALWBOX-OLZOCXBDSA-N 318.442 2.820 0 40 DFAB C[C@@H]1C[C@H](OC(=O)Cc2coc3cc4c(cc23)CCC4)C(=O)O1 32736454 RRWOZQPXLYKGEI-HWPZZCPQSA-N 314.337 2.711 0 40 DFAB CC[C@H](Nc1ccc(OC)cc1OC)C(=O)Nc1cc(C)on1 22356399 CKBQTKNXLCEWGE-LBPRGKRZSA-N 319.361 2.829 0 40 DFAB Cc1cc(NC(=O)/C=C/c2cnccn2)n(Cc2ccccc2)n1 84104880 BPCLGIJBHLYWTP-BQYQJAHWSA-N 319.368 2.682 0 40 DFAB O=C(O)c1ccccc1C(=O)NCCCn1ncc2ccccc21 71196031 FDSDRTXUJOXDLV-UHFFFAOYSA-N 323.352 2.555 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)[C@H](C)CO1 47528701 YGNVYCAQNBERDK-GHMZBOCLSA-N 304.321 2.730 0 40 DFAB O=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 79264400 FMTMQVFWDAVCSZ-MRXNPFEDSA-N 304.415 2.724 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCC)cc1 974797 PHRYLDQBVUCGIH-OAHLLOKOSA-N 318.373 2.619 0 40 DFAB CC[C@@H](C(=O)OC)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 914914 ZLJFBIKTVWNLSS-ONGXEEELSA-N 320.414 2.707 0 40 DFAB COc1ccc(Cc2nnc(Nc3ccc(C)cc3)[nH]c2=O)cc1 2718686 AHTDEBRGWMFWFE-UHFFFAOYSA-N 322.368 2.816 0 40 DFAB CCCCN(CCCC)C(=O)CN1C(=O)c2ccccc2C1=O 3149180 YCIIDDYSBURGSK-UHFFFAOYSA-N 316.401 2.711 0 40 DFAB CN(Cc1ccccc1)C(=O)CCNC(=O)NC1CCCCC1 24261802 QYXZSOKUMFKDRJ-UHFFFAOYSA-N 317.433 2.667 0 40 DFAB Cc1ccc(-c2ccnc(N3CCC4(CC3)OCCO4)n2)cc1 4985171 ZIXPGPRUQJCIIV-UHFFFAOYSA-N 311.385 2.795 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)N1CC[C@@H]1c1ccccc1 43077338 WIQUYZDXJXTEKL-JKSUJKDBSA-N 324.380 2.983 0 40 DFAB CC(C)[C@@H](NC(=O)NC[C@@H]1CCOC1)c1nc2ccccc2[nH]1 43104355 PIDLJYLBFLRKDT-SWLSCSKDSA-N 316.405 2.596 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2cc(C(C)C)on2)C2CC2)n1 97034061 PMBVNVMMHMMKIQ-CQSZACIVSA-N 300.362 2.778 0 40 DFAB CCC1(O)CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 72297693 FWAGXNLXNOCYBP-LBPRGKRZSA-N 311.809 2.871 0 40 DFAB O=C(NCCO)c1ccc(OCc2ccc(Cl)s2)cc1 72293922 QBLPBPDLTCYUAN-UHFFFAOYSA-N 311.790 2.703 0 40 DFAB CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1 95458836 QVRABDNBGBIEPU-KGLIPLIRSA-N 314.385 2.893 0 40 DFAB Cc1cccc(C(=O)NC[C@H](O)COc2cccc(F)c2)c1C 56670898 LWQJVVJPLJYUBI-HNNXBMFYSA-N 317.360 2.612 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@@H](O)c2ccc(F)cc2F)no1 107495424 NKDOBFHDUIAUIX-ZIAGYGMSSA-N 309.316 2.527 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(OC)c1 56162421 TZQGMEGCEZCFJB-NSHDSACASA-N 321.421 2.759 0 40 DFAB CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc[nH]2)c1 72281131 MITAWBJYHQMXAV-UHFFFAOYSA-N 306.387 2.590 0 40 DFAB CCn1cc(C(=O)Nc2nc3ccc(OC)cc3s2)cn1 28226346 RNDXNFKRHUZTOM-UHFFFAOYSA-N 302.359 2.774 0 40 DFAB Cc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)o1 58163451 CLZVMNLZASGWSW-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB CN(c1c(F)cccc1F)S(=O)(=O)c1ccccc1F 58244964 BISGFRWZDREQEN-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB Cn1cc(CCNC(=O)c2ccc(F)c(C(F)(F)F)c2)cn1 58282794 UPHJVSAJOVRTSM-UHFFFAOYSA-N 315.270 2.551 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1 58306075 LNXUBVLGXJNCPG-SOLBZPMBSA-N 316.445 2.709 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1cccc2c1OCCO2 58416812 UUFYHAYPAOYBEG-UHFFFAOYSA-N 322.364 2.912 0 40 DFAB COCC(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 48340069 OLFOTSCLINNPMO-GFCCVEGCSA-N 307.390 2.840 0 40 DFAB O=C(NCCCOCc1ccco1)c1cc(Cl)ccc1O 48356358 GXCTYTJTKJZPHW-UHFFFAOYSA-N 309.749 2.975 0 40 DFAB O=C(NCCCN1CCc2ccccc21)c1cccnc1Cl 29520398 DTXVHFDMSJARPI-UHFFFAOYSA-N 315.804 2.918 0 40 DFAB CCc1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 2651812 HPHIZZDEROFVFL-UHFFFAOYSA-N 317.410 2.970 0 40 DFAB O=C(NC1=N[C@@H](c2ccc(F)cc2)CS1)c1cccnc1 2790451 INKNGAASXAXHMW-CYBMUJFWSA-N 301.346 2.795 0 40 DFAB COCc1cccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 46954145 HBXKFYGLEZVHBB-GJZGRUSLSA-N 304.434 2.683 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccn2C)cc1Cl 3512125 JMRGRNWHOINBLK-UHFFFAOYSA-N 306.749 2.782 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1ccccc1Br 3506835 RYZBLUJSOHQLQK-SECBINFHSA-N 314.179 2.521 0 40 DFAB O=C(COC(=O)c1cccc(Cl)c1)NCCc1ccccc1 3620083 CSQSGLXZBXHLBK-UHFFFAOYSA-N 317.772 2.856 0 40 DFAB COc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1OC 13011858 SNZYQBFUIHROON-UHFFFAOYSA-N 321.760 2.993 0 40 DFAB Cc1c(Cl)cccc1NCC(=O)NC(=O)NCc1ccco1 9112369 SNUVOUYJBUUHNU-UHFFFAOYSA-N 321.764 2.679 0 40 DFAB COc1ccc(C(=O)O)c(O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 13315783 SPYUQFHAKHAZCU-LBPRGKRZSA-N 323.389 2.806 0 40 DFAB CC(C)Oc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)cc1 49230185 JFDUHVSAPCRLMP-WFASDCNBSA-N 304.390 2.575 0 40 DFAB CCCn1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cn1 97237728 MISZJLIERLMEGL-UHFFFAOYSA-N 321.764 2.985 0 40 DFAB CC[C@@H](OC(=O)c1ccc(C)cc1)C(=O)Nc1cc(C)on1 14019449 CQGBXYOVQIISKF-CYBMUJFWSA-N 302.330 2.866 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1C[C@@H]1c1c(F)cccc1F 84339106 XCIZTNCLNGLCLT-NWJSVONSSA-N 309.356 2.736 0 40 DFAB O=C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CCN1 14139064 HRWMSXVUBDPJMB-UHFFFAOYSA-N 324.409 2.685 0 40 DFAB COC[C@@H](C)Nc1nc(C)nc2sc(C(=O)OC)c(C)c12 14161681 URPKNHUDQMNIPO-SSDOTTSWSA-N 309.391 2.542 0 40 DFAB CCCN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2ccccc21 4554683 QGEGXPVRDHRTCS-HXUWFJFHSA-N 323.392 2.833 0 40 DFAB CCn1c(SCCCc2cn[nH]c2)nc2ccccc2c1=O 97593772 LMUYLELMCZNWKV-UHFFFAOYSA-N 314.414 2.864 0 40 DFAB Cc1c(F)cccc1/N=c1\oc2cc(O)ccc2cc1C(N)=O 67298437 BWRRQPCYLMKDPI-JZJYNLBNSA-N 312.300 2.917 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 7417234 RAOFKQQUCKPYOJ-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CCNC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408677034 PKVHORACOJPSQH-UHFFFAOYSA-N 322.364 2.934 0 40 DFAB Cc1cccc(C2(NC(=O)CCCn3cncn3)CCCC2)c1 71903903 IYTFLGFHUPYHCM-UHFFFAOYSA-N 312.417 2.952 0 40 DFAB CC[C@@H]1CCCCN1CCNC(=O)NCc1scnc1C 71904755 CAKYGMWEVJPAMS-CYBMUJFWSA-N 310.467 2.515 0 40 DFAB CCOCCO[C@@H](C)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 69326356 CCMBSUFNJBFRNK-HNNXBMFYSA-N 323.433 2.712 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 69454052 SRIJKHINXDHQQS-OLZOCXBDSA-N 305.447 2.719 0 40 DFAB CC[C@@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)c1noc(C)n1 84734862 UGJHLYRPFBAYOI-ZIAGYGMSSA-N 318.352 2.955 0 40 DFAB Cc1cc(CC(=O)NC2(c3ccc(F)cc3F)CCC2)n[nH]1 95448124 BDBQAAXIDJYDAW-UHFFFAOYSA-N 305.328 2.734 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)c2cc(COC)on2)C12CCCCC2 98016441 MOJPEPAJXLXDAD-GJZGRUSLSA-N 322.405 2.679 0 40 DFAB CC(C)c1cnc(S(=O)(=O)C[C@@H]2CCCCO2)n1C(C)C 95988625 RWXHQRHVMGWZLZ-ZDUSSCGKSA-N 314.451 2.930 0 40 DFAB O[C@@H](COc1cccc2[nH]ccc12)Cn1cc(-n2cccc2)cn1 95974784 BRHWUDTWAAEJGU-OAHLLOKOSA-N 322.368 2.595 0 40 DFAB Cc1nc([C@@H]2CCCN2C[C@H](O)c2ccc(F)cc2F)no1 89718213 NKDOBFHDUIAUIX-KBPBESRZSA-N 309.316 2.527 0 40 DFAB C[C@H](CC[C@H]1CCCO1)NC(=O)CSCc1cscn1 89895339 FJLLWHWZAJCSEB-DGCLKSJQSA-N 314.476 2.840 0 40 DFAB COc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C)[C@@H]1CO 89865459 JJZYNGZQZJHSNC-MFKMUULPSA-N 312.797 2.973 0 40 DFAB CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 89960147 ALDYYZXSZYUCSM-UONOGXRCSA-N 312.417 2.709 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(COC)cc1 89948909 XFQMVHWMBWYCOD-MSOLQXFVSA-N 304.434 2.570 0 40 DFAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cn2ccccc2=O)o1 76068537 ZVLHUZMPNSRSAR-HIFRSBDPSA-N 314.385 2.750 0 40 DFAB CC1=C(C(=O)O)[C@H](c2ccc(Cl)cc2)n2nc(C)nc2N1 20427120 XDCQPPADVIGTAG-LBPRGKRZSA-N 304.737 2.613 0 40 DFAB COC(=O)[C@H]1[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 33801082 UTKGFRQTYAYXFH-ZIAGYGMSSA-N 305.374 2.953 0 40 DFAB COCCOc1cc(C(=O)Nc2cccc(C)c2C)ccn1 182242837 DJDLTPRUFLPKOH-UHFFFAOYSA-N 300.358 2.976 0 40 DFAB COCCN(CCOC)C(=O)Cc1coc2cc(C)cc(C)c12 72242851 IEAUKKDSAFVAFQ-UHFFFAOYSA-N 319.401 2.714 0 40 DFAB CO[C@@H]1CCN(CCOc2cccc(C(=O)O)c2)CC1(C)C 565256015 WLHORJGTUROVLX-OAHLLOKOSA-N 307.390 2.511 0 40 DFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCOc2ccccc21 125717107 XDFIDXLBHVSHQJ-UHFFFAOYSA-N 319.364 2.971 0 40 DFAB C[C@H]1Cc2cc(S(=O)(=O)NCc3ccccc3)ccc2N1 78403783 WPYZDZAIQYCCOV-LBPRGKRZSA-N 302.399 2.522 0 40 DFAB CCC(CC)(C(=O)NCc1n[nH]c(=S)n1C)c1ccccc1 75198286 TXBRGOQTJPRFFE-UHFFFAOYSA-N 318.446 2.852 0 40 DFAB Cc1cc(NC(=O)c2ncoc2C(C)C)n(-c2ccncc2)n1 72535155 RXGRERHRLYCMSQ-UHFFFAOYSA-N 311.345 2.939 0 40 DFAB Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1 563845946 ULFLINDUNXZFHQ-MRXNPFEDSA-N 310.401 2.911 0 40 DFAB C[C@H](CNC(=O)[C@H]1CCCc2cccnc21)c1nccs1 194863555 AAZBEKNMFVDLBJ-YPMHNXCESA-N 301.415 2.878 0 40 DFAB Cc1ccc2ncnc(NC3CCN([C@@H]4CCOC4)CC3)c2c1 89603448 AFGZMGALFIMDHZ-OAHLLOKOSA-N 312.417 2.603 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)N[C@H](C)CC 223139190 WVOXBWYSAVUXOO-CHWSQXEVSA-N 308.397 2.868 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CCCC12OCCO2 225805010 NTSZGXFOJSRRBI-VXGBXAGGSA-N 323.364 2.555 0 40 DFAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCOC)nc1)C1CC1 225912915 IBJXYCRGPMVVOL-QGZVFWFLSA-N 322.405 2.641 0 40 DFAB Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)O)o1 195551222 HGMXIRLHCCXVMI-WDEREUQCSA-N 305.355 2.768 0 40 DFAB CCO[C@](C)(C(=O)Nc1ccc(OCCOC)cc1)C1CC1 225724419 BRWMSIPINGEROH-KRWDZBQOSA-N 307.390 2.856 0 40 DFAB CCOCCOc1ncc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225891921 UQYBYVDVDVFKMU-KRWDZBQOSA-N 322.405 2.559 0 40 DFAB CCOc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1 225962983 RWVRDNSCBASJPR-UHFFFAOYSA-N 316.357 2.663 0 40 DFAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1ccc2c(c1)OCCO2 530173142 CYQLHFFSFAMNBH-DABQJJPHSA-N 305.374 2.531 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cn1 80634801 BYQRYPVYTBHQDI-CYBMUJFWSA-N 324.388 2.971 0 40 DFAB CCOc1ncccc1CN[C@@H](C(=O)OC)c1ccc(F)cc1 96410392 ZLGLBXQOSGPSGU-OAHLLOKOSA-N 318.348 2.623 0 40 DFAB CS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1cccc(Cl)c1 96519613 JESJOYRXFDCOFI-QMMMGPOBSA-N 303.594 2.549 0 40 DFAB CCCCC(=O)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2 96221372 UMXODYHIFVAIQH-HNNXBMFYSA-N 317.433 2.834 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)NC[C@H](O)c1ccsc1 96417669 JESPFHZSROPZRI-ABAIWWIYSA-N 322.405 2.851 0 40 DFAB CC[C@@](Br)([C@H](O)c1ccc(C)cc1)S(C)(=O)=O 96521518 QVLVMBXOODNBIB-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB CCC[C@H](NC(=O)CCNC(=O)[C@H]1C[C@H]1C)c1ccccc1 245224668 AYYJBKPKYJHVRU-KBMXLJTQSA-N 302.418 2.806 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CN2CCC(CO)CC2)o1 257225181 FFFATMFEJCONHB-UHFFFAOYSA-N 315.369 2.849 0 40 DFAB COc1cccc(OC)c1CN1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257273991 NJBRLPOTXDPAJR-XWIAVFTESA-N 305.418 2.829 0 40 DFAB O=C(/C=C/c1cccs1)NCCn1ccc(C(F)(F)F)n1 96098966 HSMSVUGZRNNOIA-ONEGZZNKSA-N 315.320 2.793 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575406469 XLRKWYOUCIPRTB-OAHLLOKOSA-N 320.458 2.731 0 40 DFAB COCCN1CC[C@@]12CCCN(C(=O)c1ccc(C)cc1C)C2 585101725 BQDHJIUVZFXHDR-LJQANCHMSA-N 316.445 2.630 0 40 DFAB CO[C@@]1(COc2ccccc2C)CCCN(Cc2ncc[nH]2)C1 585274369 JXMZGMLLONDSTF-SFHVURJKSA-N 315.417 2.778 0 40 DFAB OCc1cc2c(I)cccc2nc1Cl 685936892 BPVJSAONZWSHON-UHFFFAOYSA-N 319.529 2.985 0 40 DFAB CCC[C@@H]1SCCN1C(=O)Cn1ccc(=O)c2ccccc21 72290183 VRCGYNTZOZHAGC-KRWDZBQOSA-N 316.426 2.703 0 40 DFAB CCCN(CCC)CC(=O)Nc1ccccc1N1CCCC1=O 36744640 MBEDKJGKAAGUKE-UHFFFAOYSA-N 317.433 2.874 0 40 DFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1c[nH]c2cccnc12 548738448 KDWIXILEFFCYMF-CQSZACIVSA-N 320.396 2.819 0 40 DFAB O=C(Nc1cccc2cnccc12)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 101193829 CKMRAEMRIIHEKQ-HJXMPXNTSA-N 311.385 2.763 0 40 DFAB COCCOc1cc(C(=O)NCCC2=CCCCC2)ccn1 182276417 IVKAPDBUPAPNRP-UHFFFAOYSA-N 304.390 2.727 0 40 DFAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 15932428 ABOUFQGGYOQSPB-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB O=C(Cc1cccs1)Nc1cnn(C[C@@H]2CCCCO2)c1 390825791 CAQVYIDBRKHEEM-ZDUSSCGKSA-N 305.403 2.695 0 40 DFAB CCCn1c(S[C@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 4547423 BBNNFOTYKOXKAA-SECBINFHSA-N 324.837 2.974 0 40 DFAB FC(F)(F)c1ccccc1NNC(=S)NC[C@H]1CCCO1 6332268 WLTMJYZUNQMSNS-SECBINFHSA-N 319.352 2.675 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(C)(C)C)nn2)CC1 1775974637 KJXVIGUDSWDOQA-UHFFFAOYSA-N 320.437 2.831 0 40 DFAB O=C(COCC(F)(F)F)Nc1nc(-c2ccccn2)cs1 40481133 UBAMRUCSYYVODZ-UHFFFAOYSA-N 317.292 2.723 0 40 DFAB CN1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1 20565939 KAUAILCIFRMMSB-UHFFFAOYSA-N 321.409 2.994 0 40 DFAB CN1C(=O)CC[C@H](C(=O)Nc2cccc(O)c2)[C@@H]1c1ccccc1 20717587 BOMVTGBWSSQEOX-WMZOPIPTSA-N 324.380 2.940 0 40 DFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2cccc[n+]2[O-])C1 102376627 BFPYJFTXDZOOHG-SUMWQHHRSA-N 320.458 2.839 0 40 DFAB O=C(Cc1cn2ccsc2n1)NCC1(c2ccccc2)CC1 21524303 QMIKDKNTVCKZTO-UHFFFAOYSA-N 311.410 2.786 0 40 DFAB Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2 478591 HULDEQIBEVXFQD-UHFFFAOYSA-N 316.748 2.823 0 40 DFAB CC[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1 42038765 HIDXCILRCIBIRL-IBGZPJMESA-N 323.440 2.920 0 40 DFAB COc1ccccc1CNC(=O)NCc1ccc([C@@H](C)O)cc1 53755794 TYAOZUTUQOSFAC-CYBMUJFWSA-N 314.385 2.748 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3nccnc3c2)cc1OC 47178720 YSRBHQLZNZPAPX-UHFFFAOYSA-N 323.352 2.828 0 40 DFAB Cc1ccc(-n2c(=O)c3[nH]c4ccccc4sc=3c2=O)cc1 408355 GDIKWDUOCBQUOX-UHFFFAOYSA-N 308.362 2.774 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@@H](C)CN2CCCC2)s1 47390735 FEZGOASJBUZOFP-LLVKDONJSA-N 311.455 2.515 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 47519850 UAKRGWGGIPJJEI-ZGKFYVQTSA-N 318.380 2.734 0 40 DFAB Cc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1C 1512743 DAKJUMOFTAAUGP-UHFFFAOYSA-N 319.796 2.722 0 40 DFAB CCCCc1nnc(NC(=O)COc2ccccc2OC)s1 1916416 ZKENKKDUQGKRJW-UHFFFAOYSA-N 321.402 2.907 0 40 DFAB Cc1c(Br)c(-c2nnc(-c3ccncc3)o2)nn1C 2803841 LTBUWDJQVGCQEU-UHFFFAOYSA-N 320.150 2.603 0 40 DFAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(C=O)cc1 3385967 FFZOARIXLIRNBR-UHFFFAOYSA-N 315.300 2.742 0 40 DFAB COc1ccc(OC)c(CCNC(=O)N2CCCCCC2)c1 54758124 BBNMLKCGMSFNHP-UHFFFAOYSA-N 306.406 2.832 0 40 DFAB O=C(Nn1c(C2CC2)nc2ccccc2c1=O)c1ccccc1F 4891271 JNNBVJUXNHHHIR-UHFFFAOYSA-N 323.327 2.797 0 40 DFAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 6067797 CXGDRQWRJUSSAR-RMNPVELVSA-N 308.462 2.722 0 40 DFAB Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)[nH]n1 6413323 RCHMHEOZQBAJAR-UHFFFAOYSA-N 321.690 2.534 0 40 DFAB CC(C)C(=O)Nc1nnc(SCCN2CCCCC2)s1 6674203 MMBVPQAZJYGILB-UHFFFAOYSA-N 314.480 2.711 0 40 DFAB O=C(Cn1cc(Br)cn1)N1CCCc2ccccc21 47902112 FODXWOQKBMXJBE-UHFFFAOYSA-N 320.190 2.625 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107451361 CJIZLHVZHPLBBP-RUFWGSBRSA-N 301.434 2.991 0 40 DFAB CCOc1nn(CC)cc1C(=O)Nc1ccc(OC)c(OC)c1 9070476 NSVRRVLFNKTLCQ-UHFFFAOYSA-N 319.361 2.571 0 40 DFAB COc1ccc([C@H](CNC(=O)C(C)C)N2CCCCC2)cc1 27667581 CPFWIOHCQYPFRX-KRWDZBQOSA-N 304.434 2.994 0 40 DFAB NC(=O)CSc1ccccc1C(=O)OCCc1cccs1 58265800 SCBOJBQUYSDJJY-UHFFFAOYSA-N 321.423 2.725 0 40 DFAB Cc1csc(-c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2)n1 58246097 BTXFOSYMWLYGLT-HNNXBMFYSA-N 315.442 2.943 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cc2ccco2)cn1 44955496 REMZSCRTRCRPAL-CYBMUJFWSA-N 317.389 2.892 0 40 DFAB CCOc1ncccc1CNC(=O)N1CCc2sccc2C1 44910366 LBCLTEZNCCMIFH-UHFFFAOYSA-N 317.414 2.810 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)NCc1csc2ccccc12 44970513 FSQTYVFKHVOFLO-UHFFFAOYSA-N 314.414 2.976 0 40 DFAB COc1ccc(C(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1 12740247 PWETUDIRGGXSFV-UHFFFAOYSA-N 324.380 2.825 0 40 DFAB Clc1ccc2c(c1)[C@@H](Nc1ccc3nnnn3n1)CCS2 12794613 GXYFBQFGUQAVAC-JTQLQIEISA-N 318.793 2.822 0 40 DFAB CCCCn1c(NN)nc2sc3c(c2c1=O)CCCCC3 2280957 CEEKIZLKPFXRFF-UHFFFAOYSA-N 306.435 2.813 0 40 DFAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)Cc2cc[nH]n2)cc1 84692301 OSWJBAPRTYMYPO-CQSZACIVSA-N 312.417 2.965 0 40 DFAB CN(C)Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 45352142 BMHNTZBRHMMBAD-MRXNPFEDSA-N 323.396 2.813 0 40 DFAB CN1C(=O)c2ccccc2N[C@H]1c1cc2ccccc2[nH]c1=O 28511725 AWXGQSVVAVQDDB-MRXNPFEDSA-N 305.337 2.724 0 40 DFAB Cn1cnnc1SC[C@@H](O)COc1ccc(C(C)(C)C)cc1 48332608 WMKOTDRBXWDRGR-ZDUSSCGKSA-N 321.446 2.645 0 40 DFAB CCNc1nc(S[C@@H](C)C(=O)N(C)C)nc2ccccc12 11109239 CGEOBKOREZJUBI-JTQLQIEISA-N 304.419 2.630 0 40 DFAB CCCc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)[nH]1 11467021 QIHVHDFWVKZOJC-SECBINFHSA-N 315.402 2.847 0 40 DFAB Cc1sc2ncn(C[C@H](O)c3ccccc3)c(=O)c2c1C 29333035 KEBLMGKFDVGELS-ZDUSSCGKSA-N 300.383 2.808 0 40 DFAB CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(-c2nnn[nH]2)c1 89802441 MTDVPYGLXGTPSX-GFCCVEGCSA-N 317.393 2.647 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 118930986 ACXNWFRSEGWJGF-HSAFHEGNSA-N 306.446 2.930 0 40 DFAB Cc1c(C(=O)N(C)C)cnn1-c1ccc(Br)cc1 12951638 UBHBYJYUUBIUCD-UHFFFAOYSA-N 308.179 2.645 0 40 DFAB COc1ccccc1C(=O)N(C)Cc1cc2ccccc2[nH]c1=O 9158268 SRPLPMNEPXGVFD-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB CC1(C)C[C@](C)(O)N(CCc2c[nH]c3ccccc23)C(=S)N1 4029559 XGKHVNVAHPOPRA-KRWDZBQOSA-N 317.458 2.778 0 40 DFAB biogenic CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3C)C2=O)cc1 4181594 MLPVBTRSXSOQKB-XJKSGUPXSA-N 316.401 2.592 0 40 DFAB CCC(CC)[C@H](C(=O)Nc1ncc(C)s1)N1CCOCC1 95401822 QBKSWEKICVJJCT-CYBMUJFWSA-N 311.451 2.527 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1cccnc1)c1ccc2c(c1)CC(=O)N2 65452071 RVEXBYXSPUSOMG-NWDGAFQWSA-N 324.384 2.698 0 40 DFAB CCNC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 65593200 FUMQKBYOASWZOC-LBPRGKRZSA-N 318.352 2.785 0 40 DFAB CC(C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 14119693 FLUAQGOWQSAPOK-UHFFFAOYSA-N 305.403 2.727 0 40 DFAB CCCCc1nnc(NS(=O)(=O)Cc2ccccc2)s1 9356468 GYIDBXNHPDUMPY-UHFFFAOYSA-N 311.432 2.823 0 40 DFAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC(=O)N1CCCC1 14556650 OKUJSGKXPIGFBN-UHFFFAOYSA-N 322.408 2.635 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CN2CCc3ccccc32)cc1 6653601 OYHZFBJNFJLVMW-UHFFFAOYSA-N 309.369 2.646 0 40 DFAB Cc1cccc(C[S@@](=O)CC(=O)N[C@H]2CCCC[C@@H]2C)c1 66297041 VSLUSKMWPOQKMK-HTZUNMPGSA-N 307.459 2.939 0 40 DFAB O=c1c(-c2ccccc2)nnc2sc(-c3cccs3)nn12 6758814 HULSJOGOOAUCIY-UHFFFAOYSA-N 312.379 2.942 0 40 DFAB CC(C)n1c(S[C@@H](C)C(=O)N(C)C)nc2ccccc2c1=O 7114322 LEOPXSCTTNXYDY-NSHDSACASA-N 319.430 2.546 0 40 DFAB CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 71839198 JYSYMQNXAGAPHV-DAXOMENPSA-N 313.401 2.662 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1 7447065 VMLXVFSRSVSBTG-AWEZNQCLSA-N 322.430 2.713 0 40 DFAB Cc1cccn2cc(CNC(=O)C3(c4ccccc4)CC3)nc12 71893400 YKKRZTFKBMALIF-UHFFFAOYSA-N 305.381 2.991 0 40 DFAB COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H](OC)C1 71884679 XOSJMSSEEUMQSJ-HOCLYGCPSA-N 305.418 2.901 0 40 DFAB O=C(CN1CSCC1=O)Nc1ccc(-c2ccccc2)cc1 7765889 KGNHQFGBLYGMFR-UHFFFAOYSA-N 312.394 2.825 0 40 DFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)CCC3)CS2 7777430 IBAAIMXLSCYPOW-RHSMWYFYSA-N 316.426 2.568 0 40 DFAB C[C@H](Sc1n[nH]c(N)n1)c1nnc(-c2cccc(Cl)c2)o1 9607267 OGIXLXBINQVFAA-LURJTMIESA-N 322.781 2.944 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@@H](n2cccn2)C1 69350960 CSXVBXZPRBZAES-OAHLLOKOSA-N 306.369 2.909 0 40 DFAB COc1ccc([C@H](C)NC(=O)NCC2(OC)CCC2)cc1F 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CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nccc(Cl)n1 72203429 VCZNBQIKNCJUQP-SNVBAGLBSA-N 312.801 2.941 0 40 DFAB COC(=O)c1ccc(CN(C)C(=O)/C=C/c2cccnc2)cc1 30514395 IYPCPESMEYCJBQ-JXMROGBWSA-N 310.353 2.540 0 40 DFAB COCCN1C(=O)S/C(=C/c2cc(Cl)ccc2O)C1=O 409130879 WXUVCBOSCFJJCP-YRNVUSSQSA-N 313.762 2.728 0 40 DFAB CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(C)ccc21 408713228 ORBJDGKFWYSZEA-UHFFFAOYSA-N 310.353 2.853 0 40 DFAB COCCN1C[C@@H](c2nc3ccccc3n2C(C)C)CC1=O 76556401 LWZDRFQTGTZWTI-ZDUSSCGKSA-N 301.390 2.580 0 40 DFAB CC(C)N(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](C)N 79404519 YIQASBBKTYHADB-WMZOPIPTSA-N 317.477 2.625 0 40 DFAB CC(C)(C)c1nsc(N2CCC[C@@H](n3ccnn3)CC2)n1 1548451653 UYQHAHSRFWJUGG-LLVKDONJSA-N 306.439 2.659 0 40 DFAB CN1C[C@H](C(=O)O)[C@H](c2ccc(OCc3ccccc3)cc2)C1 217666961 XEWWCNVQEAMEAP-ROUUACIJSA-N 311.381 2.995 0 40 DFAB O=C(C1CCCCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72393861 XMPXCHAMTMKJCZ-ZDUSSCGKSA-N 313.405 2.639 0 40 DFAB CC[C@H]1C(=O)O[C@H]2OC(c3ccccc3)(c3ccccc3)N[C@@H]21 31672086 INOKXHPHRRQOTE-NUJGCVRESA-N 309.365 2.785 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 72238291 JJKDTBRDBVKKJQ-WMZOPIPTSA-N 314.429 2.917 0 40 DFAB CCOC(=O)C1=C(Nc2ccccc2)CN(c2ccccc2)C1=O 217442128 OLGRNBIJSKHPRI-UHFFFAOYSA-N 322.364 2.963 0 40 DFAB Cn1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cn1 71283308 JBNPRBPAQYDTBU-GFCCVEGCSA-N 315.377 2.539 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2cccc3ncccc23)n1 187755617 CVDMGHCHVFNXEV-UHFFFAOYSA-N 313.382 2.763 0 40 DFAB Cc1ccc(-c2snnc2C(=O)N2CCSCC2)cc1 71195336 IKDDVMMSJZUWDC-UHFFFAOYSA-N 305.428 2.703 0 40 DFAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COCCOC 79320848 DSNAPKWBQNVCDB-IAGOWNOFSA-N 305.418 2.834 0 40 DFAB Cc1ccc(NC(=O)COc2ccn(-c3ccccc3)n2)nc1 226853401 DWHLPWOUCDMKFX-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB CCc1ccc([C@H]2COCCN2C(=O)c2ncc(F)cc2F)o1 192332142 RNJJRPNMMAAKDL-CYBMUJFWSA-N 322.311 2.729 0 40 DFAB Cc1cc(NC(=O)Cn2nc(C)c(Cl)c2C)ccc1C(=O)O 195542115 SPCIMJKRRJVHDY-UHFFFAOYSA-N 321.764 2.799 0 40 DFAB CCOC(=O)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1C 225318818 DBYOKDBNKJESKE-LBPRGKRZSA-N 322.430 2.637 0 40 DFAB O=C(c1ccsc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238832256 GETCORHYGYBRFU-ZETCQYMHSA-N 317.292 2.780 0 40 DFAB O=C(Nc1cc(-c2ccccc2F)on1)N1C[C@H]2CC[C@H]1C2 578110542 XVKAKALITHPIKU-QWRGUYRKSA-N 301.321 3.497 0 40 DFAB CN(C)C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 96239541 YHSIWQSEMUGGRQ-MRXNPFEDSA-N 323.387 2.906 0 40 DFAB O=C(Nc1cccc(CN[C@@H]2CCCSC2)c1)[C@@H]1CCCO1 97370827 ZTWWOJFQTOZROF-CVEARBPZSA-N 320.458 2.789 0 40 DFAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2cccnc2)C1 96416080 QQXGUKUYPMOTHD-LSDHHAIUSA-N 323.396 2.733 0 40 DFAB CCOCc1cncc2c1CCN(C(=O)c1occc1C)C2 96189315 BWVWVXKFUTXJDD-UHFFFAOYSA-N 300.358 2.718 0 40 DFAB CC[C@H](CNC1CCN(C(C)=O)CC1)Oc1cccc(C)c1 96455474 MURUCAPTCCBFCU-QGZVFWFLSA-N 304.434 2.753 0 40 DFAB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccccc1)CC(O)=N2 95476088 XOQFVUALWNHHKX-ZDUSSCGKSA-N 313.357 2.652 0 40 DFAB CCN(CC)c1ccc(NC(=O)CSc2c[nH]nn2)cc1C 95482016 GUWRAZQEMITYDT-UHFFFAOYSA-N 319.434 2.690 0 40 DFAB CCOCc1cnc2n1CCN(C(=O)Cc1cccs1)[C@H]2C 96109673 QKRLUXUOPZDXOI-LBPRGKRZSA-N 319.430 2.627 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)CCc2ccnn2C)C12CCCCC2 97097345 SOCLYNLSIISEMA-HOTGVXAUSA-N 319.449 2.597 0 40 DFAB O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCOC1 96489985 GUJVNTIDFXJDLS-CMPLNLGQSA-N 305.271 2.972 0 40 DFAB CCOC(=O)CN(C(=O)c1cnc(C)s1)C1CCCCC1 96412054 NAQNIGQZZAOBKC-UHFFFAOYSA-N 310.419 2.790 0 40 DFAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C2CCC2)C3)n1 247872065 LMOJJRZBEGBPCJ-QGZVFWFLSA-N 302.418 2.693 0 40 DFAB CC(=O)OC(C)(C)C(=O)N[C@@H](C)Cc1cc2ccccc2o1 253473536 VTSGADNFKDJVMW-NSHDSACASA-N 303.358 2.822 0 40 DFAB CC(C)c1ncc(CN2CCCC[C@@H]2c2ccnc(N)n2)cn1 257258648 KUXOYXFLLVDASP-OAHLLOKOSA-N 312.421 2.699 0 40 DFAB c1ccc(NCC[C@@H]2CCOC23CN(C2CCCC2)C3)nc1 253596035 MJYNHEBYDSHDSW-OAHLLOKOSA-N 301.434 2.917 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)c2sccc2C)n1 257341491 ZKOKUAAQRNNHMZ-LBPRGKRZSA-N 302.403 2.866 0 40 DFAB Cc1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(O)n2n1 257205084 AXOHSJVUZPLGQP-UHFFFAOYSA-N 323.400 2.518 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 257263398 LPTFFQSXEFUCLJ-LBPRGKRZSA-N 313.405 2.619 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)ccn3)C2)nc1 268321057 MXVSZUIWSFKDGR-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB COCCNC(=S)N1CCC(c2cc3ccccc3[nH]2)CC1 65706437 KQDKUVIZYKEIDK-UHFFFAOYSA-N 317.458 2.868 0 40 DFAB c1ccc(-c2nccc([C@H]3CCCN3c3cnccn3)n2)nc1 72355810 SIEYZJSBPMFJIT-OAHLLOKOSA-N 304.357 2.670 0 40 DFAB O=S(=O)(CCCF)NCCCc1nc2ccccc2s1 72307533 YMTRRAKMBOAEOS-UHFFFAOYSA-N 316.423 2.508 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC(O)CC1 84393402 QDIVDMQNERFKIF-ZIAGYGMSSA-N 324.218 2.536 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccsc2)C1 77736771 PPIOZMQNRYJFNR-LBPRGKRZSA-N 310.419 2.621 0 40 DFAB CC(C)Oc1ccccc1CNC(=O)N(C)C[C@H]1CCN(C)C1 78757823 AIGBBFZEPWWVRY-HNNXBMFYSA-N 319.449 2.567 0 40 DFAB CSc1ccc(N(C)C(=O)COc2c(C)nn(C)c2C)cc1 95412270 UXSMFTJXNDETBZ-UHFFFAOYSA-N 319.430 2.801 0 40 DFAB O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cnns1 97055847 XENVPSZQDUVGMN-SECBINFHSA-N 323.246 2.850 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 1554503305 YFQUWKMYAARMPK-GFCCVEGCSA-N 318.354 2.884 0 40 DFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 5013929 ZUKHTAIFRSERHP-ZJPZJRRFSA-N 322.364 2.912 0 40 DFAB CN(C)CCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 5156570 XSMZTIABZFQBSA-UHFFFAOYSA-N 324.490 2.964 0 40 DFAB Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)on1 5565893 WYIDUFJSDJQPLU-UHFFFAOYSA-N 309.705 2.860 0 40 DFAB CCCC(=O)N1CC[C@@H](c2nc(Cc3cccs3)no2)C1 19501100 KITJZIGVBQPZIO-LLVKDONJSA-N 305.403 2.838 0 40 DFAB O=C(c1ccc(O)cc1F)N1CCC(n2cc(Cl)cn2)CC1 163729016 VMWYPDQZSMIBSK-UHFFFAOYSA-N 323.755 2.859 0 40 DFAB C[C@@H](CNC1CCC2(CC1)OCCO2)Oc1cccc(F)c1 156063716 UBSIKHOOWNNDIX-ZDUSSCGKSA-N 309.381 2.868 0 40 DFAB Cc1nc2ccc(C(=O)OCC(=O)OC(C)(C)C)cc2nc1C 21730668 YDFGYHOIMNSAHL-UHFFFAOYSA-N 316.357 2.745 0 40 DFAB Cc1nsc(N2CCC(COc3ccncc3C)CC2)n1 1889091438 AQHAGCKADNMTNI-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCCN([C@H]2CCSC2)CC1 1565522047 HVEZNPAPOJDIAQ-HNNXBMFYSA-N 324.877 2.993 0 40 DFAB CC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 178957 ILSRTJWFAMZIOI-ZZEZOPTASA-N 322.320 2.672 0 40 DFAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1 23109596 KYSYCUKZVAXRIT-JKSUJKDBSA-N 320.352 2.747 0 40 DFAB Cc1nc(C)c(CC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)[nH]1 31257841 IWUWNXGRPIMHHJ-OAHLLOKOSA-N 319.430 2.504 0 40 DFAB O=C(NCc1ccccc1Cn1cccn1)Nc1cccnc1 40477345 KRXQITBIZRFTFG-UHFFFAOYSA-N 307.357 2.648 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)CCn1ccc2ccccc21 31593295 LLXWJSPBUFADQN-MRXNPFEDSA-N 322.412 2.959 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cc(-c2ccccc2)on1 100748022 JIHFYKPJRBIFPA-GASCZTMLSA-N 308.337 2.793 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c(F)c1 20400194 GFQMBEDXBDIAMB-SNVBAGLBSA-N 306.362 2.953 0 40 DFAB Cc1sc2ccc(Br)cc2[n+]1CCC(=O)O 374952 VOHMZXAERDBHMP-UHFFFAOYSA-O 301.185 2.734 0 40 DFAB CCC[C@H](CC(=O)NCc1ccc(OC)cc1)n1ccnc1 32714814 FIVVERHBMFHPEU-OAHLLOKOSA-N 301.390 2.939 0 40 DFAB COc1ccc(F)cc1[C@@H](C)Nc1ncnc2c1cnn2C 52426652 RFWBFUWZIIWODV-SECBINFHSA-N 301.325 2.684 0 40 DFAB CN(C)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cn1 32913655 FPQOIVUZUPNPHC-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB O=C(NCc1cccc(COCc2ccco2)c1)[C@H]1CCCO1 41421138 VEYVDFIQWXOCDX-QGZVFWFLSA-N 315.369 2.792 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O 53059163 APFSMOZNHPBKMZ-HNNXBMFYSA-N 316.307 2.956 0 40 DFAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)C1CCC1 41655425 JNDPJXGSBWFWJL-INIZCTEOSA-N 315.461 2.504 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NCCCN3CCCC3=O)cc2C1 22625611 NAWPNFHQCYRNJF-GFCCVEGCSA-N 320.458 2.615 0 40 DFAB CCCN(CCC)[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O 216618 CPAXLRWITRPWPS-OAHLLOKOSA-N 322.430 2.966 0 40 DFAB NC(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCCO3)cc1 78986282 WWVHJGZOAPYZTE-BJMVGYQFSA-N 322.364 2.762 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104653466 YCMHONPROIXYTL-SAXRGWBVSA-N 318.417 2.973 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Cl)cc1 2927573 NQQRCBYEWRWNLQ-UHFFFAOYSA-N 316.744 2.564 0 40 DFAB biogenic COc1ccc2cc(C(=O)N(C)Cc3cnn(C)c3)c(C)nc2c1 24478637 JECAXFLTKMFZCL-UHFFFAOYSA-N 324.384 2.558 0 40 DFAB Cc1nc(CSc2ncnc3nc[nH]c23)nc2ccccc12 72287757 ZYLOJNULFHLYIY-UHFFFAOYSA-N 308.370 2.897 0 40 DFAB O=C(CCc1nc(C2CC2)no1)NC1(c2ccccc2F)CC1 84501841 AHGXIAWPHOJPMZ-UHFFFAOYSA-N 315.348 2.824 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2ncc(C)o2)c1 84259400 VASWXCTXMCLIOG-OAHLLOKOSA-N 313.357 2.599 0 40 DFAB O=C(NCc1ccccc1OC1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105812 ISJPPVPFBFUXAM-BFYDXBDKSA-N 316.401 2.737 0 40 DFAB Cc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)c1 44204067 MKYMKMIUPZBPPV-UHFFFAOYSA-N 318.394 2.969 0 40 DFAB O=C(c1ccoc1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108528396 ZIVYTMYBDNOFJT-UHFFFAOYSA-N 312.373 2.567 0 40 DFAB Cc1cnc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cn1 3271227 SLRATAMDSPPMMH-UHFFFAOYSA-N 321.336 2.734 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)c(F)c2)on1 44438832 QSJNKEMRNRHVLX-SNVBAGLBSA-N 309.316 2.720 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cn1 57748567 ICMVWTYPAFVAKI-OLZOCXBDSA-N 311.385 2.868 0 40 DFAB CN[C@@H](C(=O)c1ccccc1)[C@H](OC(C)=O)c1ccc(F)cc1 36020439 SNSBLQQIOXNVNB-FUHWJXTLSA-N 315.344 2.901 0 40 DFAB CS[C@@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 58280019 JTGQZSYKGSTIDT-LBPRGKRZSA-N 310.488 2.925 0 40 DFAB CCC[C@@H]1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1 58281982 TVXMFAGQUBEJGM-CQSZACIVSA-N 306.406 2.747 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1 58294330 FOLOSCISMJEICU-UHFFFAOYSA-N 322.368 2.878 0 40 DFAB CC(C)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n[nH]1 44919000 DXJMDWKHJAQFEX-UHFFFAOYSA-N 301.346 2.534 0 40 DFAB Cc1ccc(OCc2nnc(-c3ccccc3)s2)c(CO)n1 97146474 BWVJTWPEWITPIM-UHFFFAOYSA-N 313.382 2.980 0 40 DFAB O=C(NCCc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCCS1 95404206 BNRFJFCETYFUMA-HNNXBMFYSA-N 319.405 2.566 0 40 DFAB O=C(COC(=O)c1ccccc1)NCCc1ccc(Cl)cc1 3398339 REYBVHPGVQQKNK-UHFFFAOYSA-N 317.772 2.856 0 40 DFAB CC(C)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3308860 RHIIJXQETMHYOY-UHFFFAOYSA-N 307.365 2.705 0 40 DFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c1 2620592 QEUVSSDXIYEZCN-ZDUSSCGKSA-N 317.414 2.845 0 40 DFAB COc1ccc([C@@H]2CCCN2Cc2nc(C)no2)c(OC)c1 37143525 RCUYZASBCGVZMC-AWEZNQCLSA-N 303.362 2.732 0 40 DFAB COc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1 2742633 QIAINPANZBVSKL-UHFFFAOYSA-N 305.399 2.525 0 40 DFAB CCCCC(=O)NC1CCN(C(=O)c2ccnc(Cl)c2)CC1 48522387 RWFAYLONPFKHRB-UHFFFAOYSA-N 323.824 2.646 0 40 DFAB CCCN(CCC)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C 12983726 SNVHKLBUJNZPQO-ZIAGYGMSSA-N 309.454 2.813 0 40 DFAB COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccc(F)cc2)c1=O 13126541 IBLXEDOROWSILB-UHFFFAOYSA-N 319.332 2.766 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccs2)c(=O)[nH]1 72305687 CKJCISGSALYVPE-LLVKDONJSA-N 305.403 2.614 0 40 DFAB CC(C)=CC/C=C1/CC[C@@H](C(=O)O)[C@H](C(=O)OCCN(C)C)C1 4025959 MLVLRGDKFVUVPM-IAGRGRHTSA-N 323.433 2.875 0 40 DFAB biogenic Cc1cc(NC(=O)N(C)Cc2noc(C)n2)c2ncccc2c1 97237298 ZTZHNUYUSSRVHY-UHFFFAOYSA-N 311.345 2.899 0 40 DFAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97202751 NVSCMTXYWSUJNM-GOSISDBHSA-N 324.428 2.609 0 40 DFAB Cc1cccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)n1 97378764 UQUQRGKSBJSRTB-UHFFFAOYSA-N 313.405 2.837 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCCC2)c1 9379271 NRLZEIXVWOVRQH-UHFFFAOYSA-N 315.417 2.905 0 40 DFAB CCNC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236617 CERRVGUXFDODPM-UHFFFAOYSA-N 312.291 2.790 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 9387657 YUOHNZJKHPWRFH-UHFFFAOYSA-N 313.309 2.512 0 40 DFAB CCSc1nnc(NC(=O)c2ccc(C(=O)OC)cc2)s1 5443120 UVTCEVRLTNOSOX-UHFFFAOYSA-N 323.399 2.689 0 40 DFAB Cc1ccc(N2C(=O)C[C@H](N3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 15084243 DWFZRYZAJWLOET-INMHGKMJSA-N 312.413 2.749 0 40 DFAB CC(=O)Nc1ccc(C(=O)NCCSCc2ccco2)cc1 6905532 PRMIYEBIFDUXHY-UHFFFAOYSA-N 318.398 2.901 0 40 DFAB Cc1ccccc1-n1cnnc1SCCOC[C@@H]1CCCO1 96422167 YHNBZKRMRZWKLX-AWEZNQCLSA-N 319.430 2.863 0 40 DFAB Cc1ccc(Nc2nnc(SCCC(N)=O)s2)c(C)c1 7033047 YVWJSKHNIRLJCA-UHFFFAOYSA-N 308.432 2.866 0 40 DFAB NC(=O)c1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 80375813 LPQRZELWNLJDJQ-INIZCTEOSA-N 300.402 2.970 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)c1ccc2c(c1)OCCO2 84640964 RZXGUUKAEOBPPC-NSHDSACASA-N 303.383 2.880 0 40 DFAB CCCC(=O)Nc1ccc(C2=NN=C(NC3CC3)SC2)cc1 9642809 ZOLBWGYBBPCLBW-UHFFFAOYSA-N 316.430 2.984 0 40 DFAB C[C@H](Sc1nnnn1C1CC1)C(=O)c1ccc2c(c1)CCC2 8326673 ZBOGIIFWDQJWBY-JTQLQIEISA-N 314.414 2.860 0 40 DFAB C[C@@H]1CCOCCN1C(=O)NCCCCOc1ccc(F)cc1 91597334 AQOKCDCRGPMMIF-CQSZACIVSA-N 324.396 2.805 0 40 DFAB C[C@@H](C(=O)N[C@H](C)Cc1ccc2ccccc2c1)n1cncn1 69557758 ANVURHZYDKVPBB-KGLIPLIRSA-N 308.385 2.740 0 40 DFAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 95406648 KDDMFUXVRMXZBM-UONOGXRCSA-N 304.390 2.841 0 40 DFAB C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1 69778825 MLLQHKXCKVODJJ-RISCZKNCSA-N 302.340 2.687 0 40 DFAB Cc1ccc([C@H](CNC(=O)CC(C)C)N2CCOCC2)cc1 27580299 DWGJSNMGKLXHLN-KRWDZBQOSA-N 304.434 2.531 0 40 DFAB CC(C)(C(=O)N[C@@H]1CCN2CCCC[C@H]12)c1ccccc1F 69898357 TUTWTLJLEZAECX-HZPDHXFCSA-N 304.409 2.846 0 40 DFAB CCn1cc(CNc2ccccc2N2CCC(CO)CC2)cn1 97048888 ZABYNBWLINMMMT-UHFFFAOYSA-N 314.433 2.724 0 40 DFAB CCCc1ccccc1NC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 97034134 SADWITSHPGFWCS-GXTWGEPZSA-N 303.406 2.757 0 40 DFAB O[C@@H](COCc1cccs1)Cn1ccnc1-c1ccccn1 97021515 WDPZLCXMFSSVNC-CYBMUJFWSA-N 315.398 2.584 0 40 DFAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2scnc2C)cn1 89305989 HWNGIKVKGHVBDM-IUODEOHRSA-N 306.435 2.535 0 40 DFAB CCn1c(SCC(=O)Nc2ccccc2O)nnc1C1CC1 9954100 SKBDQROQJUOLSY-UHFFFAOYSA-N 318.402 2.612 0 40 DFAB COCCOc1cccc(C(=O)NCCNc2ccccc2)c1 75141714 ZEUGDKFRSLELKM-UHFFFAOYSA-N 314.385 2.554 0 40 DFAB Cc1cc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)n(C)n1 89763717 UWDSBTSNUDMDQH-CQSZACIVSA-N 319.792 2.675 0 40 DFAB O=C(c1ncoc1-c1cccs1)N1CCOC[C@@H]1C1CC1 89800049 LBZYHDVLMILLKQ-LLVKDONJSA-N 304.371 2.654 0 40 DFAB O=C(N1CC[C@@H](N2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 89819072 UPEXDPLVWYHAKM-YMVOSSCXSA-N 302.462 2.900 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2F)cc1 20457662 OYHFNKUKQFVJAY-UHFFFAOYSA-N 323.345 2.554 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@H](c1cccc(Cl)c1)CC(=O)O2 524734904 HQAPKWCGHAHAEF-LBPRGKRZSA-N 303.745 2.788 0 40 DFAB Cc1cc(NC(=O)N[C@@H](C)[C@H](C)CO)ccc1N1CCCC1 77673036 IZPCARBHWXEGOG-KGLIPLIRSA-N 305.422 2.734 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1C 72081498 HFRDTGXCTBAOPC-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB Cn1cccc1CN(C(=O)COc1ccccc1F)C1CC1 62018254 HEMAAWVGTWQLHV-UHFFFAOYSA-N 302.349 2.734 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@H]1OC 78985617 TVTXPCBFYINILY-CVEARBPZSA-N 306.358 2.551 0 40 DFAB O=C(O)[C@H]1CCCN(c2cc(Nc3cccc(F)c3)ncn2)C1 217364274 BEKFSNGMDRBVHT-NSHDSACASA-N 316.336 2.660 0 40 DFAB C[C@@H](CNC(=O)N(C)Cc1ccco1)N(C)Cc1ccccc1 78925981 FNMPEFSKTIAELG-HNNXBMFYSA-N 315.417 2.942 0 40 DFAB Cc1ccc(C(N)=O)c(OC[C@H](O)c2ccc(F)cc2Cl)c1 185049933 SLHIDJHKRHPUJP-AWEZNQCLSA-N 323.751 2.999 0 40 DFAB CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1 134858166 VNHZPUINCXGKIN-CQSZACIVSA-N 314.385 2.507 0 40 DFAB COC(=O)CCCCNC(=O)N1CCc2cc(Cl)ccc2C1 225622704 KIDDDRZWRWAZEQ-UHFFFAOYSA-N 324.808 2.751 0 40 DFAB S=C(NCCCn1ccnc1)Nc1ccc2sncc2c1 225173302 XSYYPRYCZPJWOC-UHFFFAOYSA-N 317.443 2.870 0 40 DFAB CCS(=O)(=O)c1cccc(NCc2noc(CC(C)C)n2)c1 86209219 SZLQYSFQRCWRGT-UHFFFAOYSA-N 323.418 2.674 0 40 DFAB COc1ccc(C(=O)Nc2ccc(N(C)C)c(N)c2)cc1OC 226268460 RYSTUVOGEZFILY-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB CCNC(=S)Nc1nc(C)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225883540 JFXQHPNDVYCPBW-GHMZBOCLSA-N 307.467 2.574 0 40 DFAB Cn1cccc1C(=O)NC1(c2cccc(F)c2)CCOCC1 81367429 YEXQVWGPAFASQY-UHFFFAOYSA-N 302.349 2.600 0 40 DFAB Cc1ncccc1C(=O)Nc1cccc(N2CCCNC2=O)c1 96431742 YGRSMWVUCPMKCA-UHFFFAOYSA-N 310.357 2.562 0 40 DFAB O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1Cc1ccncc1 96205724 RDOUKYTXJASLGC-CVEARBPZSA-N 313.426 2.519 0 40 DFAB COc1cccc(NC(=O)NCC[C@@H](O)c2ccccc2)c1 90598343 SMQNAXUMIWLXMW-MRXNPFEDSA-N 300.358 2.940 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C 96414720 WMGNQAUGQHWFEV-KGLIPLIRSA-N 308.447 2.635 0 40 DFAB CC[C@H](C(=O)N(C)C[C@H]1CCN(C)C1)c1ccc(OC)cc1 96492876 DSHAIKMWMGMPRU-YOEHRIQHSA-N 304.434 2.599 0 40 DFAB Cc1n[nH]cc1CNCCNc1ncc(Cl)cc1Cl 96447834 GZYZHNAVOMSMJW-UHFFFAOYSA-N 300.193 2.622 0 40 DFAB Cc1cc(C)nc(N[C@H](CN2CCOCC2)c2ccccc2)n1 97091574 GTZNAPWTIAISCM-QGZVFWFLSA-N 312.417 2.579 0 40 DFAB CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccsc2)C1 96420841 JBPPDSVMFGZASM-LBPRGKRZSA-N 309.435 2.764 0 40 DFAB Fc1cc(Br)ccc1OCCCN1CCOCC1 96102732 VDQPOZJXRSYPAU-UHFFFAOYSA-N 318.186 2.689 0 40 DFAB O=C(Nc1ccc(F)cc1F)Nc1ccccc1-c1nnn[nH]1 97105533 JZQVVYHGOGJMNV-UHFFFAOYSA-N 316.271 2.789 0 40 DFAB Cc1csc(=O)n1CCC(=O)Nc1cccc2cnccc12 21219536 HXJRYFZQGFKKDP-UHFFFAOYSA-N 313.382 2.795 0 40 DFAB O=C(CCCn1ccnc1)N1CCC[C@H](Cc2cccnc2)C1 257302746 SEDHJBQFJREZQR-QGZVFWFLSA-N 312.417 2.540 0 40 DFAB C[C@H](CF)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21 255187664 GAGJXHZQKDKPBV-RXMQYKEDSA-N 303.211 2.648 0 40 DFAB CC(=O)N1CCO[C@H](c2c(C(=O)O)sc3ccccc23)C1 257338588 YYBSIGTWIDKTQV-NSHDSACASA-N 305.355 2.519 0 40 DFAB CCc1cc(C(=O)N2Cc3nccn3C[C@H]2c2ccccc2)on1 257237783 HIELAXDDDRBDRS-HNNXBMFYSA-N 322.368 2.831 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccc(OC)c1 69517991 RZDALRZSTGPRBN-MSOLQXFVSA-N 316.445 2.713 0 40 DFAB O=C(CCCOCc1ccccc1)N[C@H]1CCN2CCCC[C@H]12 50580931 QHCQSONDWYODCQ-ZWKOTPCHSA-N 316.445 2.726 0 40 DFAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccnc2)c1 58015254 FMBZUVWSECYMJL-NSHDSACASA-N 314.345 2.699 0 40 DFAB CN(C)CCN(Cc1cccc(O)c1)C(=O)NCC1CCCC1 58060414 QDZVCDVBTYDQIS-UHFFFAOYSA-N 319.449 2.656 0 40 DFAB CC[C@@H]1CCCCN1C(=O)Cc1csc(-c2ncccn2)n1 58283574 ZLJKECRNRKXETQ-CYBMUJFWSA-N 316.430 2.934 0 40 DFAB COc1ccc(OC)c(CNC[C@@H](O)c2ccc(F)cc2)c1 58626391 RFRJYKQLQXEKOE-MRXNPFEDSA-N 305.349 2.666 0 40 DFAB CC1(C)CCCC[C@@H]1NC(=O)NCCCCn1ccccc1=O 89919311 OEFAUTORHHTFTE-HNNXBMFYSA-N 319.449 2.897 0 40 DFAB C[C@H]1C[C@H](NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CCO1 95455593 HUWFJQBOTRZGOX-WCQYABFASA-N 323.824 2.633 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)N[C@H]1CCCS(=O)(=O)C1 95984998 ADHQVFIUOTXETA-KDOFPFPSSA-N 317.454 2.938 0 40 DFAB CC(C)c1cc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)n(C)n1 12204940 QMYLYCQMAANHJW-GJZGRUSLSA-N 320.481 2.641 0 40 DFAB COc1ccc(-c2noc(C(=O)NCc3ccccc3)n2)cc1 15082073 JUASEWUEWMJYGO-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB O=C(O)c1ccc2c(=O)[nH]c(-c3ccc(Cl)cc3)nc2c1 19413733 WYNWUFJPJCJYRY-UHFFFAOYSA-N 300.701 2.942 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)c2c(C)nn(C)c2n1 169681005 RAQVIUUFCDNNRB-MJBXVCDLSA-N 310.401 2.527 0 40 DFAB CC(=O)Nc1cccc(NC2CCN(c3cnccn3)CC2)c1 547310896 ZRACBGFIKFBVSL-UHFFFAOYSA-N 311.389 2.516 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1C(N)=O 5270723 OIQVWRURKUNGEZ-UHFFFAOYSA-N 308.337 2.837 0 40 DFAB O=C1C[C@@H](c2nnc(S)o2)CN1Cc1ccc(Cl)cc1 1889103528 BWOIXHOJPGGPMD-SECBINFHSA-N 309.778 2.528 0 40 DFAB O=C(COC(=O)c1cncc(Br)c1)c1ccccc1 3466726 UUMZWWUDDZHDSP-UHFFFAOYSA-N 320.142 2.884 0 40 DFAB COc1cccc(C(=O)NCCOc2ccc(F)cc2)c1OC 23142362 BQCYZOLOAYBCQF-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB C[C@H](Cc1ccoc1)NS(=O)(=O)Cc1cccc(Cl)c1 206663816 MDZZNWPBVMTBLB-LLVKDONJSA-N 313.806 2.984 0 40 DFAB C[C@@H]1C[C@@H](Sc2nnc3ccc(C(F)(F)F)cn23)C(=O)O1 40040294 TWDHXTNYHSNHES-HTRCEHHLSA-N 317.292 2.544 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(c1)OCO2 40108273 ZYJIEGLFLIZZHX-OCCSQVGLSA-N 305.374 2.740 0 40 DFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCC(=O)O 40284933 JUEBFVXBUDDKBI-UHFFFAOYSA-N 322.361 2.852 0 40 DFAB Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C 91812 OQEFVYJWPPDBGS-UHFFFAOYSA-N 314.414 2.911 0 40 DFAB COc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2)cc1 20251061 KRHFLYPKFLQTCL-UHFFFAOYSA-N 316.332 2.593 0 40 DFAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)Cn3cccn3)cc2C1 31390042 JTEYIYVBERKSQQ-RYUDHWBXSA-N 303.431 2.888 0 40 DFAB CCCc1c(C(=O)/N=c2/sccn2C)[nH]c(C)c1C(C)=O 51061861 FKXMROQLFNDXMX-BMRADRMJSA-N 305.403 2.619 0 40 DFAB CN(Cc1cc(Br)cs1)C(=O)c1cnccn1 40541080 KKTISGYIAVJXKJ-UHFFFAOYSA-N 312.192 2.573 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2CCSCC2)cc1 40540583 SGDNCJHSHUXYMT-UHFFFAOYSA-N 309.391 2.836 0 40 DFAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1C 101277668 ABXWECWQIVEBPR-CVEARBPZSA-N 320.352 2.801 0 40 DFAB Nc1nnc(SCc2nccn2Cc2ccccc2)s1 32778929 HMEBDOMTBHHXMP-UHFFFAOYSA-N 303.416 2.657 0 40 DFAB O=C(Cn1ccccc1=O)Nc1cccc(OC2CCCC2)c1 32769555 UYWNMVOESHOQIK-UHFFFAOYSA-N 312.369 2.808 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 32843895 BMEFISCIDXKAFV-LBPRGKRZSA-N 305.378 2.667 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCCNc1ncnc2sccc12 32928047 LWCYIFXMIGATQZ-LLVKDONJSA-N 302.403 2.576 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 9065957 RFMJMHCCKASJEY-INIZCTEOSA-N 323.396 2.857 0 40 DFAB CCOC(=O)c1cc2occc2n1CC(=O)N1CCC[C@@H](C)C1 1337823 IUAPGFGACSGTNE-GFCCVEGCSA-N 318.373 2.670 0 40 DFAB Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)O)ccc1F 7230531 VKILQLBSBBFYHY-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1nnc(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)o1 7603582 JSNGOYWBIQQVBB-POHAHGRESA-N 307.287 2.504 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2cccc(F)c2)C1 8699248 NUVNFNVJYJQLRA-STQMWFEESA-N 309.337 2.861 0 40 DFAB COc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 3232575 MDIBNKWUEVRPRK-CHWSQXEVSA-N 305.374 2.642 0 40 DFAB COc1ccc2c(c1)CN(C(=O)c1n[nH]c3ccccc13)CC2 57453295 BGEKZKKJKYRAED-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9607456 PTLALPSSGDIRNW-UHFFFAOYSA-N 323.396 2.897 0 40 DFAB O[C@@H](CNCc1cccnc1)COc1cccc2ccccc12 58099260 UDDVMHZPHPQUMQ-KRWDZBQOSA-N 308.381 2.764 0 40 DFAB C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 36076058 KXWHTGIUFPAXGD-SECBINFHSA-N 304.173 2.620 0 40 DFAB O=C(Nc1nc(-c2ccccc2)cs1)N1CCC[C@@H]1CO 58212297 KVFDPECAEDUBPM-GFCCVEGCSA-N 303.387 2.799 0 40 DFAB O=C(CCCCC(=O)N1C[C@@H]2CC[C@@H]1C2)N1C[C@H]2CC[C@H]1C2 102764565 NBBDXVSUYXXGDM-GEEKYZPCSA-N 304.434 2.569 0 40 DFAB Cc1ccccc1C(=O)N1CCC(CCN2CCOCC2)CC1 58421398 WNNIWEOUKWHTGW-UHFFFAOYSA-N 316.445 2.570 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 10519705 QBBFHADWQCRDHZ-JTQLQIEISA-N 312.366 2.812 0 40 DFAB CC(=O)NCC1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 48352771 SIJGANHZFBTQDG-HOTGVXAUSA-N 306.450 2.600 0 40 DFAB COCc1cc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)ncn1 119139690 DBLOTMSNGNZHTL-WBMJQRKESA-N 312.373 2.848 0 40 DFAB C[C@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)C[C@@H](C)O1 21012831 NWNZLOQCRSEDSQ-WDMOLILDSA-N 302.340 2.814 0 40 DFAB COc1csc(C(=O)OCc2ncn(-c3ccccc3)n2)c1 95456224 OVKWSHRUPOSUOQ-UHFFFAOYSA-N 315.354 2.694 0 40 DFAB C[C@@](CO)(NC(=O)N[C@@H](c1ccc(F)cc1)C1CC1)C1CC1 95417164 YRIKTAMBRBQNAZ-WBVHZDCISA-N 306.381 2.737 0 40 DFAB CC(=O)N[C@@H](CC(=O)NC1CCC(C)CC1)c1ccccc1 3431100 XABSNJWRUQBJRY-IMRCBTMISA-N 302.418 2.949 0 40 DFAB Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4ccon4)C3)[nH]c2c1 95446051 CCCZDNIJMGUDRT-CYBMUJFWSA-N 324.384 2.808 0 40 DFAB CC(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 3579138 LUUUKHWFWFMHTA-UHFFFAOYSA-N 322.368 2.554 0 40 DFAB CCN1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc(C)cc1 38344924 PHHSNFMWCLUIRW-RDJZCZTQSA-N 303.450 2.786 0 40 DFAB O=C(c1cn[nH]n1)N1CCC[C@@H]1c1cccc(Br)c1 48940573 XIONZGWXTQNQGY-GFCCVEGCSA-N 321.178 2.545 0 40 DFAB Cc1ccccc1OC[C@@H]1CCCN(Cc2cnc(N)nc2)C1 65423057 BTRUGRTWZBKQQI-OAHLLOKOSA-N 312.417 2.658 0 40 DFAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1cccnc1 65575937 UGYKXAFGSSJOPK-CYBMUJFWSA-N 301.438 2.855 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 6588064 RYGGSBBSVPWYRZ-HNNXBMFYSA-N 324.380 2.682 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cc1 66582170 LMFXGSQWBPAESJ-UHFFFAOYSA-N 312.778 2.569 0 40 DFAB Cc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 7471543 RXVMZHCDOHQVNA-LJQANCHMSA-N 309.365 2.783 0 40 DFAB CCn1cc(CN2CCC[C@@H](C(=O)NC3CCCCC3)C2)cn1 96490008 KIDZDNBHUHSVCK-MRXNPFEDSA-N 318.465 2.564 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)NCc2ccc(SC)cc2)C1 96453063 XYSJDEPTPJDCST-HNNXBMFYSA-N 321.490 2.892 0 40 DFAB COCCOCCCCNc1ccc(Br)cn1 96417290 LYJJOZHXBYNRME-UHFFFAOYSA-N 303.200 2.699 0 40 DFAB COc1ccc2c(ccn2CC(=O)Nc2ccc(N(C)C)cn2)c1 68802783 STLIWWQNYSNJED-UHFFFAOYSA-N 324.384 2.750 0 40 DFAB CC(C)[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)c1ccccn1 81497258 FCMMWDRTLQIKDN-YCPHGPKFSA-N 305.422 2.629 0 40 DFAB CCN(Cc1c(F)cccc1F)C(=O)NC1CCC(O)CC1 69438973 NCOSJPJJHAMABE-UHFFFAOYSA-N 312.360 2.800 0 40 DFAB COc1ccccc1CC1CCN([C@H]2C[C@@H](C)OC2=O)CC1 69515455 DNWAYUMTBFRWHM-CJNGLKHVSA-N 303.402 2.654 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69512492 YNZUHJRREZMACM-MRXNPFEDSA-N 309.417 2.615 0 40 DFAB Cc1cccc(C(=O)NC2CCN(CCc3ccncc3)CC2)c1 69631286 FPXGCLLITMCJAF-UHFFFAOYSA-N 323.440 2.827 0 40 DFAB CC(C)c1nc(CN2CCC[C@@H](Cn3cncn3)C2)cs1 69773903 SXPYYFXWYWBIKK-CYBMUJFWSA-N 305.451 2.770 0 40 DFAB COc1ccc(OC)c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1 409020889 VEGQFWQKRIPOMP-RVDMUPIBSA-N 324.336 2.801 0 40 DFAB COc1cccc([C@@H](CO)NC(=O)[C@H](C)c2ccsc2)c1 92193739 YXYDNXCJWVWKSH-IAQYHMDHSA-N 305.399 2.710 0 40 DFAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1cccs1)CC2=O 20800588 MQFMBJHMBTXUGU-SECBINFHSA-N 317.366 2.526 0 40 DFAB CC(C)Cc1nnc(NC(=O)c2ccc3[nH]cnc3c2)s1 8746254 VMZZMJFPAACEAI-UHFFFAOYSA-N 301.375 2.865 0 40 DFAB CN(CCC1CCOCC1)C(=O)c1ccc(F)c(F)c1F 95411446 LRSCHJZPKHGCOJ-UHFFFAOYSA-N 301.308 2.993 0 40 DFAB CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc23)CC1 84718343 RDRMYCITUQMKMM-OALUTQOASA-N 322.408 2.634 0 40 DFAB Cc1noc(C)c1NC(=O)NCCOc1ncccc1Cl 97015324 VVJVMKBEKCTDHZ-UHFFFAOYSA-N 310.741 2.540 0 40 DFAB CC(=O)NCC(=O)Nc1ccccc1NCc1ccccc1C 97050156 HEXJFEXENTZXPG-UHFFFAOYSA-N 311.385 2.682 0 40 DFAB Cc1ccnc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)n1 27982287 GWLKWPGXPWKEFQ-UHFFFAOYSA-N 317.736 2.529 0 40 DFAB c1ccc2c(OCCNC[C@@H]3CCc4nncn4C3)cccc2c1 72252930 SSRHDEUZRYKHII-HNNXBMFYSA-N 322.412 2.662 0 40 DFAB CCNC(=O)NCCCOC(=O)/C=C(\C)c1cccc(Cl)c1 98056330 KUVBRRAGXRUNPR-ZRDIBKRKSA-N 324.808 2.996 0 40 DFAB CCc1nc(Cn2cnc(SCc3ccc(C)cc3)n2)no1 95971354 KHORDYKDPCIZCW-UHFFFAOYSA-N 315.402 2.873 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 89410471 ZGTVOTLSJJCTGE-QWHCGFSZSA-N 316.323 2.605 0 40 DFAB O=C(NCc1nc[nH]n1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 89764337 VXVNJJOABNQBHQ-MNOVXSKESA-N 311.172 2.531 0 40 DFAB Cc1ccc(NC(=O)NCC[S@](C)=O)cc1C(F)(F)F 76069041 KKKWSDMBYMQLHB-HXUWFJFHSA-N 308.325 2.514 0 40 DFAB CO[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 76244767 MTAVVROLHVRUJJ-OAHLLOKOSA-N 319.792 2.777 0 40 DFAB CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)NC1=S 409008219 WQNCBEHHANHPHM-UITAMQMPSA-N 317.197 2.777 0 40 DFAB Cc1cncc(CN2CC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 1009901893 AVVGYBJMRYCVPY-QGZVFWFLSA-N 313.376 2.533 0 40 DFAB CCc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1C 35289539 JLBXQTCJXKQVFE-UHFFFAOYSA-N 321.377 2.511 0 40 DFAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 72227260 WLTCOQNNQQJHNG-ZIAGYGMSSA-N 317.186 2.864 0 40 DFAB CC(C)OCc1ccc(C(=O)O)cc1I 39951781 QLKYLIUQQCVGJU-UHFFFAOYSA-N 320.126 2.914 0 40 DFAB CC(C)N1CCO[C@H](COc2ccccc2Br)C1 79939200 JOHCFSOVCVZRIL-LBPRGKRZSA-N 314.223 2.937 0 40 DFAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1 72228097 FPTQCFNPYJTLFU-CVEARBPZSA-N 300.333 2.640 0 40 DFAB COc1cccc(C(=O)Oc2ccc3c(c2)ncn3C)c1OC 70640906 KPGLRIRLXZOAHI-UHFFFAOYSA-N 312.325 2.810 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 78726498 RRDCXPVIBAYKCQ-CPUCHLNUSA-N 324.490 2.725 0 40 DFAB COc1cccc([C@H]2C[C@@]23C(=O)Nc2ccc(C(=O)O)cc23)c1 217475711 MUWCRAUDYHYSAW-KDOFPFPSSA-N 309.321 2.771 0 40 DFAB CC(C)C(=O)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 72335821 OJDQQUSBADHMMD-OAHLLOKOSA-N 310.401 2.901 0 40 DFAB C[C@@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)n1cccn1 567582738 YFGWXGLBIIHUQI-YJBOKZPZSA-N 313.401 2.608 0 40 DFAB CCCc1noc([C@H]2CCCCN2C(=O)c2cc(C)no2)n1 40714896 GHTYQPCMEFHJNH-LLVKDONJSA-N 304.350 2.686 0 40 DFAB C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1 132544377 YCCAUYXQAWDNDC-AAEUAGOBSA-N 310.463 2.689 0 40 DFAB COC(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1 48264682 INZJRDDNVNVFNJ-UHFFFAOYSA-N 311.765 2.564 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1OC 224792057 JQWMMBQPSWZZOX-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB Nc1c2c(nn1-c1ccccc1)C(=S)N(c1ccccc1)C2=O 40385470 JNWBEVQRJQKPBE-UHFFFAOYSA-N 320.377 2.790 0 40 DFAB CCNC(=S)Nc1nc(C)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225883534 JFXQHPNDVYCPBW-PHIMTYICSA-N 307.467 2.574 0 40 DFAB CCCN1CCCN(C(=O)N[C@H](CC)c2cccs2)CC1=O 190136679 NLIDBVPXUCJOLF-CYBMUJFWSA-N 323.462 2.853 0 40 DFAB CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C 195136569 IHDUNPSVZDNDJP-JQWIXIFHSA-N 311.403 2.757 0 40 DFAB c1coc(CNc2ccnc([C@H]3COCCN3C3CCC3)n2)c1 96220180 XTOXSCDVXXWHGU-OAHLLOKOSA-N 314.389 2.608 0 40 DFAB Cc1ccsc1C(=O)N1CC[C@@H]2CN(C(C)C)CCO[C@@H]2C1 96249580 YKZATUSTFZUYLT-HUUCEWRRSA-N 322.474 2.628 0 40 DFAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1Cc1ccncc1 96047543 GRHYWYQMVLJDKD-IBGZPJMESA-N 313.445 2.839 0 40 DFAB c1csc(-c2nnc(CN3CCS[C@@H]4COCC[C@@H]43)o2)c1 96480684 LPTYMXIFHSQBMB-CMPLNLGQSA-N 323.443 2.504 0 40 DFAB CC[C@@H](C(=O)c1ccc(Br)cc1)S(=O)(=O)CC 96518063 WUPNHHHVXJYQGP-NSHDSACASA-N 319.220 2.845 0 40 DFAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1cccnc1)CCO2 96160067 YNUSXGJDUARJTG-AEFFLSMTSA-N 318.417 2.518 0 40 DFAB C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCOC2(CCCC2)C1 96479788 YRVSYPHJYLGLGS-CQSZACIVSA-N 318.417 2.678 0 40 DFAB OCc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1F 96493471 UDBZXLLVWKPOAW-UAGQMJEPSA-N 305.393 2.755 0 40 DFAB CC[C@H](NC(=O)CCCNC(=O)C1CC1)c1cc(F)ccc1F 96419333 ULUYJSGGIDANPL-HNNXBMFYSA-N 324.371 2.839 0 40 DFAB CCO[C@@H]1C[C@H](N(C)Cc2nnc(C3CC3)n2C)C12CCCC2 96419703 AOWNTQQEJIHVSO-LSDHHAIUSA-N 318.465 2.862 0 40 DFAB CC(C)c1ccc(CC2CCN(C[C@@](C)(O)C(=O)O)CC2)cc1 584058888 RUKIIVUZAGGOPA-LJQANCHMSA-N 319.445 2.900 0 40 DFAB O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H](c1ccccc1)CO2 96220269 KJDLDIXCABUABT-DLBZAZTESA-N 315.413 2.731 0 40 DFAB C[C@H](Cn1cncn1)NC[C@H](C)c1cccc(Br)c1 96493274 YPSJAAZQLMNSOC-NWDGAFQWSA-N 323.238 2.822 0 40 DFAB CCOC[C@H]1CC2(CCN(C(=O)c3occc3C)CC2)CO1 96105883 RUXTYIDVDDOXDX-CQSZACIVSA-N 307.390 2.636 0 40 DFAB Cc1ccc(C[S@@](=O)[C@@H](C)C(=O)NCC(F)(F)F)cc1C 95412202 HIWIPWCDTZYKRS-MQJDWESPSA-N 321.364 2.619 0 40 DFAB COc1cccc(CN2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 96042086 SCWSXQPOYGGTBP-GBESFXJTSA-N 317.429 2.854 0 40 DFAB CCCCc1nc(CN2CC[C@@H](c3nc(C)cn3C)C2)c[nH]1 257342553 ZPESOBZXRXJNNV-CQSZACIVSA-N 301.438 2.784 0 40 DFAB Cc1cncc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 257218478 DDGUCHHWISAUTR-INIZCTEOSA-N 310.401 2.519 0 40 DFAB O=C(O)C1(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 262169126 DCNBCHOXUPCPCO-GXSJLCMTSA-N 313.275 2.542 0 40 DFAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)[C@@H]1CCOC1 575609338 WDXCHIHMANKMQD-CYBMUJFWSA-N 311.385 2.861 0 40 DFAB Cn1cc([C@@H]2CCCN(C(=O)NCc3cccs3)C2)cn1 681286817 HIBCEECWULEUKU-GFCCVEGCSA-N 304.419 2.571 0 40 DFAB Cc1nnc(NC(=O)CCCC(=O)c2ccc(F)cc2)s1 69586678 KZKZPIXNZMGZSI-UHFFFAOYSA-N 307.350 2.977 0 40 DFAB Fc1cccc2ncnc(NC3CCN(c4ncccn4)CC3)c12 54059292 BRTCOKRAJWQGBS-UHFFFAOYSA-N 324.363 2.640 0 40 DFAB COC(=O)C1CCC(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 95453120 PAZRAQUZGVSSRT-UHFFFAOYSA-N 307.394 2.556 0 40 DFAB Cc1cscc1C(=O)NC[C@@H](CO)Cc1ccccc1F 95408009 JVBMTXSHDQMPIG-LBPRGKRZSA-N 307.390 2.777 0 40 DFAB CCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(C)ccc21 5018911 ILOMSLAKZQGQCT-IBGZPJMESA-N 309.365 2.822 0 40 DFAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nccs2)cc1 12070218 YRXMGHXVOMTEPO-UHFFFAOYSA-N 324.427 2.506 0 40 DFAB CC(C)n1c([C@H](C)NC(=O)c2ccccn2)nc2cccnc21 12220611 XFFWDMOAIMYBFD-LBPRGKRZSA-N 309.373 2.898 0 40 DFAB Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)cc1C 13964202 DHORZCIYIFWEMB-QGZVFWFLSA-N 319.449 2.782 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 17746674 JBKUPYOUMTYOAH-USTZCAOPSA-N 317.344 2.796 0 40 DFAB CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)C2CC2)n1 9815691 UQLFXSMLTANUPN-CYBMUJFWSA-N 321.446 2.825 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc1n2CCCCC1 5568019 XLGUUDJUBNHVKO-UHFFFAOYSA-N 321.446 2.793 0 40 DFAB c1ccc(CC2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 1888899341 XSKGJCVBXCEZAT-UHFFFAOYSA-N 320.400 2.516 0 40 DFAB Clc1ccc2oc(=N[C@H]3CCN(C4CCOCC4)C3)[nH]c2c1 1889098658 HSBBQKHUOAUTJK-LBPRGKRZSA-N 321.808 2.568 0 40 DFAB CN1CCCC[C@@]2(CN(Cc3cccc(Cl)c3)CCO2)C1=O 2037983990 MYRGATNGXXUTSQ-QGZVFWFLSA-N 322.836 2.553 0 40 DFAB O=C(/C=C/c1ccoc1)NCC1CCN(c2cccnc2)CC1 225655770 FVTAJXNHFBHBPG-ONEGZZNKSA-N 311.385 2.721 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)OCCCO2 49705885 UBRUFYKOQLHTKD-UHFFFAOYSA-N 309.793 2.638 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)no1 96448158 SNCYRVRDWRWUMD-UHFFFAOYSA-N 324.255 2.942 0 40 DFAB CN(C)C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 40009834 CFYOKNYDBODTGI-ZWKOTPCHSA-N 324.424 2.657 0 40 DFAB O=C(N1CC[C@@H](N2CC=CC2)C1)C1(c2cccc(F)c2)CCC1 101277869 ISRYEKGTXLPNCS-QGZVFWFLSA-N 314.404 2.720 0 40 DFAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc1 102259277 CEVVVIXRBQLFKB-AZHAFVHUSA-N 301.342 2.547 0 40 DFAB COCCN(C1CCCC1)S(=O)(=O)c1cc(C)ccc1C 32809789 RUKLMYRUQIKWGX-UHFFFAOYSA-N 311.447 2.883 0 40 DFAB CCOc1ccc2cc(C(=O)N3CCO[C@H]4CCC[C@H]43)[nH]c2c1 53385978 GZDOKVWCYGRYHK-SJORKVTESA-N 314.385 2.960 0 40 DFAB CCOC(=O)NCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 53543853 VPINMXQQAZEENO-ZDUSSCGKSA-N 322.405 2.854 0 40 DFAB CCCc1noc(CS[C@H](C)C(=O)Nc2cc(C)no2)n1 78758392 DTMGJCFQBGOELN-SECBINFHSA-N 310.379 2.579 0 40 DFAB CCC(CC)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2O)on1 78953266 FHLOUEJZHPXVRL-DZGCQCFKSA-N 309.410 2.681 0 40 DFAB O=C(CCC(=O)Nc1ccc(F)cc1)NCCc1ccccc1 3147922 RVRBKDBCTRQIMN-UHFFFAOYSA-N 314.360 2.903 0 40 DFAB CCCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6594766 FQSMXXVTDQSMGR-LBPRGKRZSA-N 312.435 2.892 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 7811741 YOJSWQQBIGDVGX-OKILXGFUSA-N 318.417 2.780 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 43583672 BRAQMRLWZNOJGN-ZDUSSCGKSA-N 309.793 2.986 0 40 DFAB CCc1noc([C@H](C)N2CCc3cc(OC)c(OC)cc3C2)n1 44291916 DYJPINGGTOVGJH-NSHDSACASA-N 317.389 2.769 0 40 DFAB Cc1nccc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 108459012 SCQKDNDEVYGZRF-GXTWGEPZSA-N 320.437 2.915 0 40 DFAB CCOc1ccc2nc(S[C@@H]3CCCCNC3=O)[nH]c2c1 12540485 WBYGPYRIHGBNGX-CYBMUJFWSA-N 305.403 2.722 0 40 DFAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc(F)ccc1F 57841943 ZXUFTPQGKUFASR-UHFFFAOYSA-N 321.279 2.502 0 40 DFAB O=S(=O)(NCc1cc2ccccc2[nH]1)c1cc(F)cc(F)c1 58156623 GYBRDVYRLQGRNL-UHFFFAOYSA-N 322.336 2.925 0 40 DFAB Cn1nccc1CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 97140463 HTTFQRCYVPJYKC-RHSMWYFYSA-N 324.428 2.827 0 40 DFAB Cc1ccc([C@](O)(CCNCc2c[nH]nc2C)C(F)(F)F)o1 97159898 SNFKQTVTMBXFSV-CYBMUJFWSA-N 317.311 2.549 0 40 DFAB CCN(CC)CCn1cc(NC(=O)Cc2cccc(F)c2)cn1 58216331 YNNPIVXROXVOIY-UHFFFAOYSA-N 318.396 2.545 0 40 DFAB CCOc1coc(C(=O)NCc2ccccc2Cl)cc1=O 23136907 GAYPXRQQNQNAEW-UHFFFAOYSA-N 307.733 2.622 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1noc(-c2ccccc2)n1 58341567 BMKJYVHGBIABLV-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB COc1ccc(-c2nnsc2C(=O)NCCC(C)C)cc1 36357514 JYFJUWXMWXISJW-UHFFFAOYSA-N 305.403 2.990 0 40 DFAB COCCNC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 28650917 WXFGMLLAALXUCO-UHFFFAOYSA-N 303.358 2.650 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2O)on1 11000090 OGJZMRLCMLPJCN-MRVPVSSYSA-N 324.720 2.526 0 40 DFAB Cc1cccc(N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1C 28758466 DIOAMZSHHGQLDO-LLVKDONJSA-N 317.414 2.903 0 40 DFAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccs1 29601817 YHFUPYGJDSWXRV-XHDPSFHLSA-N 306.431 2.572 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1 72330189 KDZNURHAWHTIJL-UHFFFAOYSA-N 314.341 2.584 0 40 DFAB O=C(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1 2750337 OSLMLCZKLRYEQF-UHFFFAOYSA-N 318.380 2.592 0 40 DFAB CCc1ccc(NC(=O)[C@H](C)NCC(C)(C)CN(C)C)cc1 3454005 ZARLNPABJHYJHQ-AWEZNQCLSA-N 305.466 2.753 0 40 DFAB N#Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 28221388 NGHVXIUTMDLVHX-UHFFFAOYSA-N 307.338 2.724 0 40 DFAB Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1C1CCCCC1 97212810 PUAPFTPCCXIUCG-UHFFFAOYSA-N 301.394 2.658 0 40 DFAB NC(=O)COc1cccc(CSc2ncccc2Cl)c1 49488465 SOUAOVDLVNXPCG-UHFFFAOYSA-N 308.790 2.891 0 40 DFAB CC(=O)N1CC[C@@H](CN(C)[C@@H](C)CCc2cccc(F)c2)C1 97371347 HNTZTDAEGXXAMI-YOEHRIQHSA-N 306.425 2.947 0 40 DFAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H](CCO)C1CC1 97599112 XNGCJNJMNIISQZ-GFCCVEGCSA-N 302.296 2.988 0 40 DFAB Cc1cc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc(C)n1 65417182 JBYAWLUSAGWMHX-AWEZNQCLSA-N 312.421 2.753 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1F)c1cccs1 14062485 HEVITXPUHCVHOB-AWEZNQCLSA-N 320.389 2.771 0 40 DFAB CC1(CNC(=O)NCCc2nccn2C(F)F)CCCC1 66598691 JUPZNASTCFQOKP-UHFFFAOYSA-N 300.353 2.700 0 40 DFAB O=C1C[C@@H](C(=O)Nc2nccs2)Oc2ccc(Cl)cc21 15083995 BUQPECZSFYIXNP-NSHDSACASA-N 308.746 2.769 0 40 DFAB Nn1c(SCc2ccccc2)nc2cc(F)ccc2c1=O 71768807 MLIJHSHIEBIMCE-UHFFFAOYSA-N 301.346 2.542 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2ccc3nccnc3c2)c1 15421488 XHVUCRGFKQYJSH-UHFFFAOYSA-N 306.325 2.841 0 40 DFAB CCCc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)n(C)n1 90154004 KDPLHQACUYELNH-UHFFFAOYSA-N 303.410 2.656 0 40 DFAB Cc1nc(CNC(=O)NC[C@H]2CCO[C@@H]2C(C)C)sc1C 96455158 CRMJYUVBORXWIX-TZMCWYRMSA-N 311.451 2.620 0 40 DFAB COc1ccccc1-c1nnc(CNc2cccc(CO)c2)o1 96494625 GKDSKZSQBJNYBB-UHFFFAOYSA-N 311.341 2.850 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 16015188 MIRSJNACEXZPPU-UHFFFAOYSA-N 324.380 2.905 0 40 DFAB CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccccn1 68312233 IVJYAVDPUYXQFZ-UHFFFAOYSA-N 317.820 2.939 0 40 DFAB Cc1cnn(Cc2ccc(NC(=O)N[C@@]3(C)CCOC3)cc2)c1 95440654 ADKJMFJPRPZBJU-KRWDZBQOSA-N 314.389 2.540 0 40 DFAB O=C(COc1nnc2ccccn12)Nc1ccc(F)c(Cl)c1 8224810 ZDPYDXPHISLRTO-UHFFFAOYSA-N 320.711 2.539 0 40 DFAB O=S(=O)(C[C@H]1CCCO1)N(Cc1ccco1)c1ccccc1 71911108 ISXUGHFJOQXQKP-MRXNPFEDSA-N 321.398 2.795 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 69350264 WQSRTJAXDJKEGI-INIZCTEOSA-N 312.369 2.509 0 40 DFAB O=C(NCc1csc(CCc2ccccc2)n1)c1cnccn1 81934730 NYZPQMGOAYAVQW-UHFFFAOYSA-N 324.409 2.648 0 40 DFAB Cc1cc(N)nc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 71916372 XOFMREYLRBTEEW-LLVKDONJSA-N 324.450 2.716 0 40 DFAB CC(=O)NC[C@@H]1CCCN(CCCOc2c(C)cccc2C)C1 71903160 UDZXMLYDXHGHAV-SFHVURJKSA-N 318.461 2.920 0 40 DFAB COC(=O)[C@](C)(NC(=O)c1ccc(C)o1)c1cc(F)ccc1F 69583901 KJNQJEPELZRNLM-MRXNPFEDSA-N 323.295 2.684 0 40 DFAB O=C(CCc1ccncc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 69631989 IGBFFIIDPFZGMD-CVEARBPZSA-N 320.458 2.527 0 40 DFAB CCOc1ccc(C(C)=O)cc1COc1ccccc1C(N)=O 8745153 HZGLZFZBORPDRM-UHFFFAOYSA-N 313.353 2.966 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H]3CN(C)CC[C@@H]32)c1 95467110 NKSKOKPMHPDENP-UNEWFSDZSA-N 317.433 2.952 0 40 DFAB O=S(=O)(Cc1nc(-c2cccs2)no1)c1cccc(F)c1 97013265 RIHGWRJNTNDNCH-UHFFFAOYSA-N 324.358 2.911 0 40 DFAB CCc1oc(C(=O)N(CC(=O)OC)c2cccc(C)n2)cc1C 89280242 CHSDALZHLUGKQL-UHFFFAOYSA-N 316.357 2.674 0 40 DFAB CCSc1cc(Cl)ccc1C(=O)NCCn1cnnc1C 125532971 HUHKFGCVBSHVDV-UHFFFAOYSA-N 324.837 2.782 0 40 DFAB CCN(CC)CCOc1ccc(NC(=O)C(C)(C)OC)cc1 170970255 QZRKDGKXEGKVGP-UHFFFAOYSA-N 308.422 2.771 0 40 DFAB CC[C@H](F)C(=O)NC[C@H]1[C@@H]2CN(Cc3ccc(C)c(F)c3)C[C@H]12 1506813848 PHCORBIBBKSOJT-JONQDZQNSA-N 322.399 2.676 0 40 DFAB O=C(CCNC(=O)Oc1ccccc1)Nc1ccccc1F 408999338 RCWWLCWCRSKTQG-UHFFFAOYSA-N 302.305 2.943 0 40 DFAB CCOc1ccccc1C(=O)NCN1CCc2ccccc2C1 36646322 UXMKYLOOFICPRA-UHFFFAOYSA-N 310.397 2.831 0 40 DFAB biogenic,in-vitro O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc(Cl)c1 70636720 GTABDCQGKYKQES-AWEZNQCLSA-N 317.838 2.560 0 40 DFAB CC[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCS1 72861376 CUHQOOSJUPNWKD-NWDGAFQWSA-N 324.412 2.615 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 72203411 USOSVRNZLODDEL-CQSZACIVSA-N 320.437 2.929 0 40 DFAB O=C(c1ccccc1-c1ccccc1)N1CCn2cnnc2C1 72346442 FQEYYSRUPZOEOJ-UHFFFAOYSA-N 304.353 2.601 0 40 DFAB C[C@H]1OCCN(CCOc2ccc(C(=O)O)cc2Cl)[C@@H]1C 566920531 NUQNKORHIYFRAN-GHMZBOCLSA-N 313.781 2.526 0 40 DFAB Cc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218548633 KEVQLNPQEAOFLR-BZUAXINKSA-N 321.829 2.915 0 40 DFAB CCCn1nc(C)cc1NC(=O)c1ccc(OC)cc1OC 32610422 JBZAPUCSBBDQDS-UHFFFAOYSA-N 303.362 2.871 0 40 DFAB CCc1nc(CCNC(=O)/C=C/c2ccncc2)sc1C 78403206 UIYATTIAOUEWCN-SNAWJCMRSA-N 301.415 2.781 0 40 DFAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cc[nH]n2)s1 72386129 YJUZNQJUYBGHAC-ZDUSSCGKSA-N 304.419 2.779 0 40 DFAB CN(C(=O)CCN1CCSC1=O)c1nc2ccccc2s1 44895940 UMYUNNHVESUKIP-UHFFFAOYSA-N 321.427 2.818 0 40 DFAB CCOC(=O)c1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 85385961 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CCNC(=S)Nc1nc(C)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225883552 JFXQHPNDVYCPBW-QWRGUYRKSA-N 307.467 2.574 0 40 DFAB COC(=O)CN(C(=O)[C@@H](C)c1ccccc1)c1cccc(C)n1 97101427 ABQZVGXXNPNNCM-AWEZNQCLSA-N 312.369 2.700 0 40 DFAB COc1cc2c(cc1/C=C/c1cc(C(=O)O)ncn1)O[C@H](C)C2 534879329 DTJPOQYSXWSEFJ-HMDXOVGESA-N 312.325 2.677 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(-c3ccccc3)no1)C2 97198731 ABCRLAFPCWIYIN-AWEZNQCLSA-N 322.368 2.591 0 40 DFAB C[C@](O)(C1CCN(C(=O)c2cccc(O)c2)CC1)C(F)(F)F 97095339 RLANOIMUHPSHHC-AWEZNQCLSA-N 317.307 2.558 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)OCc1ccc(Cl)cc1 583651281 IIMOQYQGKRWJET-SKDRFNHKSA-N 303.811 2.679 0 40 DFAB CC(=O)c1sc(-c2ccccc2S(=O)(=O)N(C)C)nc1C 96433559 GKXUZPXEHHSPOX-UHFFFAOYSA-N 324.427 2.571 0 40 DFAB CNC[C@@H]1CCCN1C(=O)c1cccc(Br)c1C 96482565 FQRYTNXKABOJPE-NSHDSACASA-N 311.223 2.582 0 40 DFAB CO[C@H]1CCN(C(=O)c2cc(C)no2)C[C@@H]1Cc1ccccc1 96110519 VWMFXITXHMOEOW-HOTGVXAUSA-N 314.385 2.703 0 40 DFAB COCc1ccc(C(=O)N(C)C[C@@H]2CCN(C)C2(C)C)s1 97532643 ZPLDAGDGOGEBDO-LBPRGKRZSA-N 310.463 2.697 0 40 DFAB Cc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CO)s1 95417090 GOSUVOHZRLVOTA-MRXNPFEDSA-N 316.426 2.858 0 40 DFAB COc1cccc(N2CCC3(CC2)N=C(O)[C@H]2CCCCN23)c1 96429886 ZXLVWAVCWJEZJQ-MRXNPFEDSA-N 315.417 2.816 0 40 DFAB CCOCc1cccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)c1 96403221 VDOWXGRPICFCEW-CQSZACIVSA-N 316.401 2.634 0 40 DFAB CC(C)CSCCCNC(=O)N[C@@H]1CCCc2nn(C)cc21 252488865 JAVKDCVRNMYTJB-CQSZACIVSA-N 324.494 2.876 0 40 DFAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccccc1 25765819 IDMHUAZVOMOTPS-CYBMUJFWSA-N 305.399 2.876 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 257332935 XZJQZIRQVCQPHG-ZDUSSCGKSA-N 315.421 2.769 0 40 DFAB COc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2OC 257301839 SAEGUMHUQLFDRU-KRWDZBQOSA-N 305.418 2.855 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@H]2c2cccc(F)c2)cc1 252516052 PSUGTCKXGIBADH-BRWVUGGUSA-N 319.401 2.649 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 257297218 RGJFOBXTAFZDPQ-AWEZNQCLSA-N 301.365 2.806 0 40 DFAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccsc1 253396171 DFRJSRXKKJADQL-CQSZACIVSA-N 322.455 2.861 0 40 DFAB CC(=O)N1CC[C@H]2[C@H](CCCCN2CC2(O)CCCCCC2)C1 585287089 SMEMFQDINMDVQZ-MSOLQXFVSA-N 322.493 2.795 0 40 DFAB COc1cc(C)c(NC(=O)CCn2nc(C)cc2C)cc1OC 31482400 HZAVMXSMBJBCOY-UHFFFAOYSA-N 317.389 2.854 0 40 DFAB CCc1nc(CCNC(=O)N[C@@H](C)c2ccncc2)cs1 69569282 WCHULFNOHUISNW-NSHDSACASA-N 304.419 2.703 0 40 DFAB CCOC(=O)C(=O)c1c(C)nc(C)c(Br)c1Cl 953019020 VWNDZBVCAYDOKW-UHFFFAOYSA-N 320.570 2.860 0 40 DFAB O=C(NCc1ccc(Br)cc1)NCc1cccnc1 72270027 LWIJGKYTEXGBGE-UHFFFAOYSA-N 320.190 2.844 0 40 DFAB CC[C@H](NC(=O)N1CCN(CC(C)C)CC1)c1ccncc1 74438777 SOTJMAHCZKOQDQ-INIZCTEOSA-N 304.438 2.516 0 40 DFAB O=C(NC1CCCCC1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5556604 QAIGDDZGGCZOMV-WMLDXEAASA-N 316.426 2.705 0 40 DFAB O=S1(=O)C=C(Cl)[C@@H](Sc2nc3ccccc3[nH]2)C1 5983559 KDRMJYQDQTWUDZ-JTQLQIEISA-N 300.792 2.532 0 40 DFAB CCn1cc(S(=O)(=O)Nc2ccc3c(ccn3C)c2)c(C)n1 12147758 NLPAJYICFYTXOD-UHFFFAOYSA-N 318.402 2.504 0 40 DFAB CCCN1CCC(CNC(=O)c2[nH]nc3c2CCCCC3)CC1 19502619 XBUZYJWWLQIUNB-UHFFFAOYSA-N 318.465 2.530 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703658 WLHAMYROZRWJTN-INIZCTEOSA-N 317.364 2.854 0 40 DFAB C=CCOc1cccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c1 8272330 WVINFFIQLBASCG-LCYFTJDESA-N 317.370 2.896 0 40 DFAB Cn1ccnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 7061327 CCDXTSIICKEFRK-UHFFFAOYSA-N 316.430 2.751 0 40 DFAB CCOc1ccccc1NC(=O)CCNC(=O)c1cccs1 12973427 WHYIBRHMMNANSW-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB Cc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cc1F 1888849907 JNLFQFKKZGFNSO-HUUCEWRRSA-N 302.393 2.690 0 40 DFAB Cn1nccc1-c1ccc(CNC(=O)CCC(F)(F)F)o1 1888864458 XHXHFPLHYGHGKM-UHFFFAOYSA-N 301.268 2.639 0 40 DFAB Cc1ocnc1CN1CCN(c2nsc3ccccc23)CC1 1889149040 IIUMRWKNNCUWJP-UHFFFAOYSA-N 314.414 2.915 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)Nc2ncccc2O)cc1 22264713 NXUDVOZTGRTFQU-UHFFFAOYSA-N 301.302 2.608 0 40 DFAB CCCCCN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258706 CQRPXAYYJRONTL-ZDUSSCGKSA-N 314.332 2.526 0 40 DFAB CN1CCCc2cc(CCNC(=O)COc3ccccc3)ccc21 16915668 YPMQTBJBZDXMDK-UHFFFAOYSA-N 324.424 2.807 0 40 DFAB O=C(c1cccs1)N1CCCN(C(=O)c2cccs2)CC1 5677437 JANVAAXFTRTTOR-UHFFFAOYSA-N 320.439 2.798 0 40 DFAB CCN(CC)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 40159980 MJAOADVUZFXNMO-UHFFFAOYSA-N 301.390 2.655 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](n3cnc4ccccc43)C2=O)cc1 100144189 BXOYHSDEKOVJHH-MRXNPFEDSA-N 321.336 2.550 0 40 DFAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 31033346 BPPNZWOSIMRXDS-UHFFFAOYSA-N 312.369 2.623 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1sccc1C)CC(C)C 31705966 FDCZCNFURSNJPE-GFCCVEGCSA-N 312.435 2.947 0 40 DFAB O=c1cc(CSCCc2ccccn2)nc2sccn12 40511807 UUOVHOLWJLZSNH-UHFFFAOYSA-N 303.412 2.627 0 40 DFAB CCOc1cc(CN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1OC 101439525 OAALMCBNNUZCJQ-OKILXGFUSA-N 317.385 2.769 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 289817 FMCWZTNHGGJFFJ-GFCCVEGCSA-N 315.398 2.697 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccc(Cl)s1 32701992 UTVKFQHGVDYBDC-MWLCHTKSSA-N 314.838 2.522 0 40 DFAB O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 41137544 ANGDVRFBNBIJNJ-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCO[C@@H]2CCCC[C@H]21 41109494 ATTTYCPOLRBFFT-CHWSQXEVSA-N 302.330 2.718 0 40 DFAB CCCOc1ccccc1C(=O)Oc1cccc(-n2cnnn2)c1 21798543 LBRGYOOBHFDIIC-UHFFFAOYSA-N 324.340 2.670 0 40 DFAB OC[C@H]1CCCCN1Cc1ccc(F)cc1Br 42240287 LDGJJLYNDKETQX-GFCCVEGCSA-N 302.187 2.935 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1C 491464 CVGFIWZMJRLQHL-MRXNPFEDSA-N 314.341 2.798 0 40 DFAB COc1cccc(OCC(=O)Nc2ccccc2NC(C)=O)c1 200499 SHQWEIFHKMYKQU-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB CCOC(=O)CCSc1nc(C)c2cc(OC)ccc2n1 287237 NORWWCXIBHEXDH-UHFFFAOYSA-N 306.387 2.992 0 40 DFAB CC(C)c1nnc(NC(=O)c2c[nH]c3ccccc3c2=O)s1 12421842 KHPFPONXABAKRR-UHFFFAOYSA-N 314.370 2.755 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc(CCO)cc2)cc1F 78732946 FUGNBOOGESJJAW-UHFFFAOYSA-N 317.360 2.940 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cc(C)cc(CCN)c2C)cc1 1674790 NKYJJBMRDQHMKI-UHFFFAOYSA-N 318.442 2.914 0 40 DFAB CCn1c(CNC(=O)Nc2nccs2)nc2ccccc21 42754774 QZKLGBBXZRXDBE-UHFFFAOYSA-N 301.375 2.834 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cc1ccc(F)cc1 3238337 QNJPBDZPXRWQPV-CHWSQXEVSA-N 307.365 2.701 0 40 DFAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 8132785 LDDQOJOMHWLGPI-YJBOKZPZSA-N 324.424 2.942 0 40 DFAB O=C(O)c1cccn1-c1ccc(I)cc1 35431385 GQUUONHTDLGCQW-UHFFFAOYSA-N 313.094 2.780 0 40 DFAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2C1=O 1750475 IKPZEOPTWLEMAQ-CYBMUJFWSA-N 316.401 2.615 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(Br)o2)CC(C)(C)O1 44479055 ADXIDBUIMOJRGN-MRVPVSSYSA-N 302.168 2.682 0 40 DFAB CCSc1nnc(N2CCOCC2)n1-c1ccccc1C 57855999 VTBICTUSXXDKAV-UHFFFAOYSA-N 304.419 2.524 0 40 DFAB C[C@@H]1CCc2nc(NC(=O)CCCn3ccnc3)sc2C1 57996169 CWBLXULVEPDWFI-LLVKDONJSA-N 304.419 2.883 0 40 DFAB CCn1ccnc1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 58297246 YKVVVSBRBDNXMI-CQSZACIVSA-N 310.405 2.677 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)c2cc(C3CC3)on2)cn1 58224662 FSJOARSVASQRTH-UHFFFAOYSA-N 309.329 2.693 0 40 DFAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)c1cccs1 44950470 UWIWLKIGNOOJQP-NSHDSACASA-N 304.419 2.770 0 40 DFAB COc1ccc([C@@H](NCc2c(C)nn(C)c2OC)C2CC2)cc1 58392539 URRIIQNRPCVVLE-KRWDZBQOSA-N 315.417 2.987 0 40 DFAB CC(C)NC(=O)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789433 ASOMGODJEYJOFE-BRSBDYLESA-N 317.477 2.999 0 40 DFAB biogenic CCCO[C@@H]1CCCN(Cc2nccn2CC(F)(F)F)C1 95399451 VZTXISNWGVELIH-GFCCVEGCSA-N 305.344 2.836 0 40 DFAB COC(=O)C[C@@H](NC(=O)[C@@H](C)OCC(C)C)c1ccc(C)cc1 48333611 KBNPKJYWJKANDU-GDBMZVCRSA-N 321.417 2.777 0 40 DFAB Cc1noc([C@@H](C)S(=O)(=O)Cc2cccc(Cl)c2)n1 46094468 MWYDWRSDZIDGMX-MRVPVSSYSA-N 300.767 2.707 0 40 DFAB CN1CCCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 96000218 VFDMSWHSVXPLKZ-UHFFFAOYSA-N 300.362 2.511 0 40 DFAB CCN(C(=O)COC(=O)c1[nH]nc2ccccc12)c1ccccc1 6370986 SASCBOSCKQJKAI-UHFFFAOYSA-N 323.352 2.773 0 40 DFAB CN1CC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)CC1=O 65504218 OFVOUNHCZZNHHG-SJORKVTESA-N 314.429 2.999 0 40 DFAB CCCCNC(=O)[C@H]1CCCN1c1ncnc2sccc12 65542039 WQIRQHCPGOOVNS-GFCCVEGCSA-N 304.419 2.576 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2SCC(N)=O)cc1 14137818 GHFRFOFVEHOTRX-UHFFFAOYSA-N 300.383 2.825 0 40 DFAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 6588866 CFRMOMYXWJUJGV-OAHLLOKOSA-N 324.490 2.747 0 40 DFAB O=C([C@H](O)c1ccccc1)N1CCC(c2ccc(O)cc2)CC1 95426923 WELDWNNMIKLVNG-GOSISDBHSA-N 311.381 2.832 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](N2CCCC2)C1 66173580 LBNIDVBDUUNNPS-JKSUJKDBSA-N 301.434 2.936 0 40 DFAB O=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)nc2ccccc12 5770010 OGLPTKDFYXRGBE-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)Nc1ccccc1 6808628 XMNOCUGMMGIYJM-UHFFFAOYSA-N 321.380 2.693 0 40 DFAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9420619 WNYUGDBLCZBRRH-CQSZACIVSA-N 313.401 2.545 0 40 DFAB C[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C 7486489 XNOUURWFZKUXCU-ZDUSSCGKSA-N 315.417 2.625 0 40 DFAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cnn(C(C)C)c1 89280005 UTIGVJJTKBKHKI-UHFFFAOYSA-N 318.425 2.644 0 40 DFAB O=C1c2ccccc2C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 16353580 VTTBRDHUVWMPIH-JTQLQIEISA-N 312.291 2.514 0 40 DFAB CC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 81278529 GHNIHNKAVSSQCP-QGZVFWFLSA-N 317.410 2.624 0 40 DFAB O=C(CCCNC(=O)C1CC1)N[C@H](c1ccc(F)cc1)C1CC1 89782782 OKDMXYBNRFJNFW-KRWDZBQOSA-N 318.392 2.699 0 40 DFAB CCc1noc(-c2ccc(CCNC(=O)NC(C)C)cc2)n1 69225585 PERWCVOJHAXNSG-UHFFFAOYSA-N 302.378 2.549 0 40 DFAB Cc1nnc(NC(=O)NC[C@@H](C)Oc2ccccc2F)s1 96433767 CCLFIBFXQAZDHD-MRVPVSSYSA-N 310.354 2.575 0 40 DFAB CN(Cc1ccco1)C(=O)NCCc1ccc(N(C)C)cc1 69416113 FVSCFVKLSSCIIW-UHFFFAOYSA-N 301.390 2.730 0 40 DFAB CCn1ccnc1SCc1cn2cccc(C(=O)OC)c2n1 71880023 ZRPWOKOFCXTOSW-UHFFFAOYSA-N 316.386 2.630 0 40 DFAB C[C@@H](NCC(=O)Nc1ccncc1)c1ccc(-n2cccn2)cc1 97033602 AUOXGVDIHHNKCK-CQSZACIVSA-N 321.384 2.557 0 40 DFAB C[C@H](NCc1nnc(C2CC2)n1C)c1cccc(-n2cccn2)c1 97033491 OHOWWRSCNMYHER-ZDUSSCGKSA-N 322.416 2.729 0 40 DFAB CC(C)(C)c1ncsc1C(=O)NCc1ccc(C(=O)O)o1 97036075 YARLADZAXHUMHP-UHFFFAOYSA-N 308.359 2.662 0 40 DFAB O=C(NCCc1cc2ccccc2[nH]1)NCC[C@@H]1CCCCO1 97055228 YVCAPXYHYMPBMI-INIZCTEOSA-N 315.417 2.969 0 40 DFAB Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@H]1O 72298289 LXJUTYHURCOESE-ZWNOBZJWSA-N 312.207 2.648 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C)nn1-c1cccc(Cl)c1 95991466 VCRBLJWKGPEDBV-BXUZGUMPSA-N 319.792 2.741 0 40 DFAB Cn1cnc(-c2ccc(NC(=O)NCc3cccs3)cc2)n1 97109172 KXUDXUMWYNVZAD-UHFFFAOYSA-N 313.386 2.865 0 40 DFAB Cc1ccc(-c2nsc(C(=O)NC[C@@H]3CCCO3)c2N)cc1 62007051 LRZJMSLOOSPVOT-LBPRGKRZSA-N 317.414 2.610 0 40 DFAB COc1cc(C(=S)NCc2ccco2)cc(OC)c1OC 408571726 DNKRIBLQFVETKJ-UHFFFAOYSA-N 307.371 2.771 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 69737192 FCYGFTARTQQLDM-GFCCVEGCSA-N 324.371 2.733 0 40 DFAB CCc1nsc(N2CCCN(C(=O)c3ccsc3)CC2)n1 75391357 BLBKWNOLOGTIBR-UHFFFAOYSA-N 322.459 2.515 0 40 DFAB Cc1ccc(-c2noc(CCNC(=O)c3ccco3)n2)cc1F 78773985 YJEUCMOEDBUSFO-UHFFFAOYSA-N 315.304 2.750 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1 34256152 FETXYFNQXDDPDG-UHFFFAOYSA-N 313.325 2.799 0 40 DFAB Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)O)c2ccccc21 317410452 MNGGFJYCLVGYAK-GFCCVEGCSA-N 300.314 2.510 0 40 DFAB CCOC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 45952640 DLBMTQIHURDHDT-QMMMGPOBSA-N 302.157 2.909 0 40 DFAB Cn1nc(C(=O)NCc2ccncc2C(F)(F)F)cc1C1CC1 565145758 KPFKVUNVJLMWFG-UHFFFAOYSA-N 324.306 2.641 0 40 DFAB O=C(O)c1cccc(OCCN2CCCC3(CCOCC3)C2)c1 565104679 OWQGPPMCBNBSST-UHFFFAOYSA-N 319.401 2.656 0 40 DFAB C[C@@H](O)c1ccc(CCNC(=O)c2cccc(N(C)C)c2)s1 225687108 KDZBCMXHEYFJIB-GFCCVEGCSA-N 318.442 2.840 0 40 DFAB CCN(C(=O)c1ccnn1CCOC)c1ccc(C)cc1C 195572269 ADEZHMJRQCHMIW-UHFFFAOYSA-N 301.390 2.813 0 40 DFAB CC(C)=CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 69810929 FPXSXLHWXIQRDZ-CQSZACIVSA-N 319.424 2.721 0 40 DFAB CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)C 195571659 IAOAVFLOQKHKMI-SMDDNHRTSA-N 300.349 2.732 0 40 DFAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1 225671228 JRPVARNJJARBGM-KRWDZBQOSA-N 321.373 2.684 0 40 DFAB CS[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)noc1Cl 96417106 PYEJRSCLIYTEPW-GHMZBOCLSA-N 302.827 2.969 0 40 DFAB CC[C@@H](CNC(=O)c1ccncc1F)Oc1ccccc1F 96451729 CUPNAFGUKBTAKA-NSHDSACASA-N 306.312 2.947 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)c1cccs1)CC2 96106283 GHTJLDFHZZTFMO-ZDUSSCGKSA-N 309.431 2.653 0 40 DFAB O=C(CC1CC1)N1CCN(Cc2ccncc2)c2ncccc2C1 96198983 NRWNYRZWPUSOAS-UHFFFAOYSA-N 322.412 2.626 0 40 DFAB CCCOc1cc(F)ccc1NC(=O)NCc1noc(C)n1 96471163 RWAAVTAFLYZKAU-UHFFFAOYSA-N 308.313 2.628 0 40 DFAB CCOC(=O)[C@@H]1C[C@]2(C)C(=O)CCC[C@@H]2N1Cc1ccccc1 248288868 IPLVJTLXCKXGHG-BXWFABGCSA-N 315.413 2.952 0 40 DFAB CC(=O)N1CCC(Cc2nccnc2-c2scnc2C)CC1 257301581 RZAXKWBRQSZTEB-UHFFFAOYSA-N 316.430 2.710 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CN2CCCOCC2)nc1 257289792 QAEWUBYRDNVNQM-UHFFFAOYSA-N 312.369 2.669 0 40 DFAB CC(=O)N1CCN(C(=O)c2cccs2)[C@H](c2ccccc2)C1 257297338 RGVLLOKASZCCEJ-HNNXBMFYSA-N 314.410 2.794 0 40 DFAB COCCN1CCC[C@H](c2cccc(-c3cc(C)n[nH]3)n2)C1 257333379 YBICRIIMPKJROA-AWEZNQCLSA-N 300.406 2.606 0 40 DFAB O=C(N[C@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1ccsc1 585110235 GCUWIIWPWWFQHC-XHSDSOJGSA-N 313.426 2.536 0 40 DFAB c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1 53274848 QLOFPPKCJSHBIO-UHFFFAOYSA-N 319.412 2.590 0 40 DFAB C[C@@H]1CCC[C@@H](C)N(C(=O)NCCCOC2CCOCC2)C1 74543801 CTKPLLMVEMIPFZ-HUUCEWRRSA-N 312.454 2.792 0 40 DFAB O=C(C1CC1)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1565522238 LHEOTJQPNPDIJE-UHFFFAOYSA-N 315.417 2.772 0 40 DFAB CCOC(=O)CCCN(CC)[C@H]1CCN(Cc2ccccc2)C1 95940572 IWMBRYFVWSKEHB-SFHVURJKSA-N 318.461 2.926 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 1164765 BIZMMICAXDMOKO-WQLSENKSSA-N 305.355 2.594 0 40 DFAB O=C1COc2c(Br)cc(Br)cc2O1 5670229 PHUAXTHTOBVXDZ-UHFFFAOYSA-N 307.925 2.509 0 40 DFAB CCN(Cc1cc2ccccc2nc1O)C(=O)c1ccncc1 12411807 QPSYQINQHOHQOP-UHFFFAOYSA-N 307.353 2.998 0 40 DFAB O=C1C[C@@H](NCc2cccc(Cl)c2)C(=O)N1c1ccccc1 19372941 DNIXBPXKVLPAIR-OAHLLOKOSA-N 314.772 2.762 0 40 DFAB Cc1oc2ncn3nc([C@@H](C)NC(=O)C(C)(C)C)nc3c2c1C 19559497 KCLBIFRJATUCFJ-SECBINFHSA-N 315.377 2.711 0 40 DFAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc(Cl)s1 206808317 UVWVPHWWVFSLFR-QMMMGPOBSA-N 313.835 2.867 0 40 DFAB CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nccs3)n2)C1 643550252 AXUZHSQZAIRMIK-GFCCVEGCSA-N 317.418 2.711 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1cccc(F)c1 7123105 BJMSXYLYJSNDGU-FNORWQNLSA-N 313.328 2.927 0 40 DFAB Cc1noc(C)c1CN1CCN(Cc2ccncc2F)[C@H](C)C1 2086884802 COPQGZCXCSPUHB-GFCCVEGCSA-N 318.396 2.532 0 40 DFAB Cc1nc(CN2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)cs1 2086934270 LSOACMOLBGGQKZ-STQMWFEESA-N 318.421 2.554 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1C 9171940 LJSOAEUFOVKBAL-UHFFFAOYSA-N 310.353 2.678 0 40 DFAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)O 35096839 MNPCHORTUABDDX-NSHDSACASA-N 301.795 2.553 0 40 DFAB O=C(c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 5936521 BHQOGSRDNUKVMY-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB O=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)C1CC1 40059555 JIUDMXSAGNWCSW-UHFFFAOYSA-N 313.325 2.911 0 40 DFAB CC[C@@H]1CCc2nc(NC(=O)[C@H](NC(C)=O)C(C)C)sc2C1 40145865 DEYPGXPXUTVSGQ-BXUZGUMPSA-N 323.462 2.757 0 40 DFAB O=C1NC(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C1Cl 113805 UNLOYXIUHNDHTO-UHFFFAOYSA-N 314.728 2.998 0 40 DFAB Cc1ccc(NC(=O)/C=C/c2cccs2)cc1-n1cnnn1 31996754 NZYVJSHLJMTZMT-VOTSOKGWSA-N 311.370 2.684 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)COc2ccccc2)CCC[C@H]1C 102163550 BQLTXKJFFOJRET-YCPHGPKFSA-N 319.401 2.550 0 40 DFAB Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C1CC1 32741775 IIRFUCFKDGYDHJ-LLVKDONJSA-N 316.430 2.891 0 40 DFAB COc1cccc(CN(C)C(=O)c2ccc(C)nc2)c1OC 32903728 ZJGWWOKKWZXZIX-UHFFFAOYSA-N 300.358 2.679 0 40 DFAB C[C@@H](NC(=O)c1cccc[n+]1[O-])c1cccc(Br)c1 32933212 JKIVAUZKWXRPEF-SNVBAGLBSA-N 321.174 2.574 0 40 DFAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(C)no2)cn1 53403091 ZQHSDZLXCOQWMY-CYBMUJFWSA-N 301.346 2.754 0 40 DFAB COc1ccccc1OCC(=O)Nc1ccc(NC(C)=O)cc1 142302 SHXXRRYPOMMRNP-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCOCC1 217708 BSOVZXKFDXWCKF-UHFFFAOYSA-N 319.364 2.769 0 40 DFAB COc1cccc(CN2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)c1 12363334 VKOHRYRBRDSBHI-IYBDPMFKSA-N 318.461 2.769 0 40 DFAB COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 12417488 OBFXQWQLEOUXLO-TXEJJXNPSA-N 307.390 2.831 0 40 DFAB C[C@@H]1CC[C@@H](CCC(=O)Nc2sccc2C(=O)NC2CC2)O1 78949563 FXXCAUOOEZHOJX-PWSUYJOCSA-N 322.430 2.927 0 40 DFAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H](c2ccn[nH]2)C1 84585433 ZMXBQKIAYKLOCN-LBPRGKRZSA-N 323.352 2.536 0 40 DFAB Cn1c(C[C@@H](O)c2nc3ccccc3n2C)nc2ccccc21 3954508 DXHJCBVZZVOUSN-MRXNPFEDSA-N 306.369 2.736 0 40 DFAB in-vitro Cc1ccnc2c(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cccc12 4003439 OMDOANCHDHLPKH-VZAMPYOESA-N 304.349 2.855 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(F)cc1 4201552 CZVWXRKVCAPIBB-UHFFFAOYSA-N 303.289 2.664 0 40 DFAB CCC[C@@H](C)NC(=O)COC(=O)CCc1c[nH]c2ccccc12 6891152 KHDOQKCCGLHSCG-CYBMUJFWSA-N 316.401 2.949 0 40 DFAB CCCC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1 55050033 YRYOFTNGYVTRFO-UHFFFAOYSA-N 321.446 2.609 0 40 DFAB O=C(Nc1cccc(OCCn2cncn2)c1)c1cccs1 43246236 DUGFHCWPDCLWGE-UHFFFAOYSA-N 314.370 2.671 0 40 DFAB CCN1C(=O)C(=O)N(Cc2sc3ccccc3c2Cl)C1=O 24986396 OOTOAURWOJHOAZ-UHFFFAOYSA-N 322.773 2.865 0 40 DFAB Cc1cccc(CNC(=O)NCc2cccnc2-n2ccnc2)c1 26387289 ZEPWPQJIQFTALG-UHFFFAOYSA-N 321.384 2.575 0 40 DFAB O=C(NCCc1ccccc1)NCc1ccnc(N2CCCC2)c1 26302823 UWUGXEHTUQTTMY-UHFFFAOYSA-N 324.428 2.724 0 40 DFAB COc1ccc(-c2nnc(O)c3nc(C)sc23)cc1OC 26421314 ACSDBHUSTXBGBM-UHFFFAOYSA-N 303.343 2.785 0 40 DFAB CN(C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)C1CCCC1 44683708 ZVDYLNQPERPWRE-MDWZMJQESA-N 312.413 2.993 0 40 DFAB CCn1cc(C(=O)CN2C(=O)CSC2=O)c2ccccc21 10008130 NEOKVWVLOGFYCU-UHFFFAOYSA-N 302.355 2.539 0 40 DFAB COc1cccc([C@@H]2CCCN2C(=O)Nc2nncs2)c1 48262404 VVCYRZZWAREZCD-LBPRGKRZSA-N 304.375 2.916 0 40 DFAB Fc1ccc([C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)cc1 48299498 YLQVFRXKNNNFME-AWEZNQCLSA-N 303.337 2.660 0 40 DFAB CNC(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58161012 RPBDIRROCPIAGE-CYBMUJFWSA-N 313.442 2.683 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3c(C)cccc32)C1 95423893 XKHZBQUZNDSQJO-ZBFHGGJFSA-N 302.418 2.809 0 40 DFAB CCC(CC)NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3316765 DKZJEJCLZUEDTK-UHFFFAOYSA-N 319.188 2.850 0 40 DFAB CC(C)(C)O[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 95436786 XGBBSSCQRXTZPS-NUEKZKHPSA-N 303.402 2.596 0 40 DFAB Cc1ncsc1C(=O)NC(C)(C)c1ccc2c(c1)OCCO2 58377481 XIRRCBYPNTZWFF-UHFFFAOYSA-N 318.398 2.888 0 40 DFAB CCO[C@@H](CC)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 58406121 DAFFJQWDWVPFBU-INIZCTEOSA-N 319.380 2.751 0 40 DFAB CC(C)Sc1ccc(S(=O)(=O)N2CCCCC2)cn1 48398049 AGMGQLPMUIHKFY-UHFFFAOYSA-N 300.449 2.757 0 40 DFAB COC(=O)CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 12815636 DNMIPSVZVVCYNU-HWKANZROSA-N 321.682 2.661 0 40 DFAB C[C@@H]1CCCc2sc3nc(NCCCO)n4ncnc4c3c21 2449809 COQYJAYOFZZQPB-SECBINFHSA-N 317.418 2.573 0 40 DFAB CCCCc1ccc(NC(=O)c2cc(=O)c(OC)cn2C)cc1 23135522 FRBVQINEUPFTCS-UHFFFAOYSA-N 314.385 2.989 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC=CCC1)CC2 36727213 ROHMVNSVNSCIFI-ZDUSSCGKSA-N 301.386 2.945 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OC[C@@H]1CCCO1 11595256 IBZPNYYKXXNWHP-ZDUSSCGKSA-N 303.362 2.656 0 40 DFAB CC(C)CNC1(Cc2cc(-c3cccc(O)c3)on2)COC1 67898317 WVIYZVVGPUWYOW-UHFFFAOYSA-N 302.374 2.604 0 40 DFAB biogenic,in-vitro CCn1cc(Cl)c(C(=O)N(C)Cc2c(C)nn(CC)c2C)n1 2777939 LAGOSTZDLFXGMP-UHFFFAOYSA-N 323.828 2.662 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(F)cc1)C2=O 3563716 BIEJZKYZUAOSAC-DIFFPNOSSA-N 318.348 2.509 0 40 DFAB O=P(O)(O)[C@@H](NCc1ccc(F)cc1)c1ccsc1 12997456 LWBHGUAQXRQCCN-GFCCVEGCSA-N 301.279 2.853 0 40 DFAB CCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 3644949 HXQVSKFLYOKLNI-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1csc(-c2ccccc2)n1 97197781 RTALYVXJBVOIOV-ZDUSSCGKSA-N 324.409 2.751 0 40 DFAB COCC(=O)NCC1(c2cccc(Br)c2)CCC1 48820432 AJWLDIGSAOHYHR-UHFFFAOYSA-N 312.207 2.633 0 40 DFAB CCC(=O)N1CCN(Cc2sccc2Br)CC1 64057613 NLJAHIQULFLUKN-UHFFFAOYSA-N 317.252 2.565 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](n2cccn2)C1 65608615 CZTBXZMGLHMFRA-INIZCTEOSA-N 321.384 2.546 0 40 DFAB CN(C)C(=O)[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 6649807 BKLRXQOJSIRKKN-MRXNPFEDSA-N 323.352 2.549 0 40 DFAB Cc1ccc(-c2cc(CN3CCNC(=O)[C@@H]3C(C)C)on2)cc1 66500483 QYJDFIRTNGSQEF-KRWDZBQOSA-N 313.401 2.606 0 40 DFAB Cc1ccoc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 96473313 RBSDZJBNPMFTSA-UHFFFAOYSA-N 314.263 2.811 0 40 DFAB CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)C(F)(F)F)cc1 80034966 NRBHNBPUQOPYEI-NSHDSACASA-N 305.296 2.517 0 40 DFAB Cc1noc([C@H]2CCCN(C[C@H](O)c3ccc(C)c(C)c3)C2)n1 71828188 BFMZSXUYBOYLNE-IRXDYDNUSA-N 315.417 2.908 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)c1 7307769 CJRYNRLXTMSXAU-UHFFFAOYSA-N 319.382 2.511 0 40 DFAB Cn1ccnc1C[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 97376975 QKVHWKKLSWRAMQ-OAHLLOKOSA-N 311.429 2.810 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C)cc1 16089850 HIBDWTURXTUCDP-UHFFFAOYSA-N 305.355 2.721 0 40 DFAB O=C(c1ccc2c(c1)COC2)N1CCCC[C@H]1Cn1cccn1 71865395 VUSJHNUCPVMKMJ-KRWDZBQOSA-N 311.385 2.608 0 40 DFAB CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 68593299 FPUNJBIWQDUYRP-CMPLNLGQSA-N 301.264 2.700 0 40 DFAB in-vitro Cc1oncc1-c1nn2c(Cc3ccccc3F)nnc2s1 19910085 UQYKXTGFRQKHKC-UHFFFAOYSA-N 315.333 2.879 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2C)CC1 16725158 GUDGQQDHMZEZDS-UHFFFAOYSA-N 313.401 2.982 0 40 DFAB O=S(=O)(Oc1cccc(-n2ccnc2)c1)c1cccs1 71915754 NPUPIQHCCJFDKM-UHFFFAOYSA-N 306.368 2.702 0 40 DFAB Cc1ccc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)c1 8297825 FPSMJBSMMRUCNO-UHFFFAOYSA-N 316.426 2.828 0 40 DFAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C1CC1 8357122 AXBCIALPIXTQKQ-CYBMUJFWSA-N 315.417 2.845 0 40 DFAB COc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)Nc2ccccc2C)cc1 69567000 RVBFNARMDJUHIS-DOTOQJQBSA-N 324.380 2.614 0 40 DFAB COc1ccc(-c2nnc(NC(=O)C(C)C)s2)cc1OC 17251867 CKTQBMWCLDASJR-UHFFFAOYSA-N 307.375 2.817 0 40 DFAB Cc1cc(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)c(C)o1 95449891 YDVYRXIUVDLCDJ-CYBMUJFWSA-N 302.330 2.711 0 40 DFAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1ccn(CCc2ccncc2)n1 97037877 BWHCDUUZWNLVQU-INMHGKMJSA-N 313.449 2.661 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)O)nn1-c1ccccc1 97046348 RWTRSQMTOOWHOL-PBHICJAKSA-N 313.401 2.556 0 40 DFAB C[C@@H](NCCCc1cnn(C)c1)c1ccc2c(c1)OCCCO2 97016761 MJWMSJVUMKUDMX-CQSZACIVSA-N 315.417 2.865 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 97049230 MFEADFIYOVEEPB-YOEHRIQHSA-N 310.401 2.986 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 72282126 KWOWCOCNLPAJHP-OCCSQVGLSA-N 308.447 2.981 0 40 DFAB Cc1cccc(CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 97145893 MHQPIYRDLIOQNB-CABCVRRESA-N 305.422 2.925 0 40 DFAB COc1ccnc(NCCc2ccc(Br)s2)n1 95947228 DZOPAPKMPVCFMD-UHFFFAOYSA-N 314.208 2.964 0 40 DFAB CC(=O)NCCNC(=O)c1cc(C)ccc1SC1CCCC1 95990183 XIYGNLDNORHYDW-UHFFFAOYSA-N 320.458 2.896 0 40 DFAB COc1ncccc1NC(=O)N[C@H](CCCO)c1ccccc1 75145505 YPCBPCDMYGBMND-CQSZACIVSA-N 315.373 2.726 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cnc(C)cn1 89949285 PKGYWDTWWHBOQP-HNNXBMFYSA-N 310.401 2.656 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OC)cc1 89948930 JCVOWRVHALFABM-YJBOKZPZSA-N 316.445 2.822 0 40 DFAB COc1ccc(-c2cnc3n2CCN(C(=O)c2ccoc2)C3)cc1 306141636 WCQWMSZMNYXJTO-UHFFFAOYSA-N 323.352 2.808 0 40 DFAB Cc1ccc(C2(CNC(=O)c3ccccn3)CCOCC2)cc1 68169097 KSEFZBNURBERJV-UHFFFAOYSA-N 310.397 2.868 0 40 DFAB O=C(Nc1nnc2n1CCS2)c1ccc(C(F)(F)F)cc1 21110722 ZOTAMFVJRJWDAB-UHFFFAOYSA-N 314.292 2.655 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(Cl)c1)CC(=O)O2 524734900 HQAPKWCGHAHAEF-GFCCVEGCSA-N 303.745 2.788 0 40 DFAB O=S(=O)(C1CCCC1)N1CCC[C@@H](Cc2ccccn2)C1 72386254 NMNVIZXLZCCSBC-AWEZNQCLSA-N 308.447 2.609 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(F)cc1)CC(C)C 31706037 DMNRLXXYFIWRRJ-CQSZACIVSA-N 310.369 2.716 0 40 DFAB CC(C)(C)C(=O)N1CCN(C(=O)NC2CCCCCCC2)CC1 124884984 KUZIOLZCUQQSDW-UHFFFAOYSA-N 323.481 2.999 0 40 DFAB CS[C@H](C)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77648273 QQPQDQIGKFOMIC-XCBNKYQSSA-N 308.230 2.895 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccs1 72240985 VEBMAZKDNXEJEO-SKDRFNHKSA-N 321.427 2.753 0 40 DFAB COC(=O)c1ccc(Cn2cc(C(C)(C)C)cc2C(=O)O)o1 78404943 HTVXDZZABAEZSP-UHFFFAOYSA-N 305.330 2.912 0 40 DFAB COc1ccc(NC(=O)COc2c(C)cccc2C(=O)O)cc1 217722181 OCHCJQVWCXSEPB-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB Cc1ccc(C[C@H](NC(=O)[C@H]2CCCO2)c2ccccn2)cc1 79360617 UQSVKHLOMISSQH-ZWKOTPCHSA-N 310.397 2.969 0 40 DFAB C[C@@]1(NC(=O)CC[C@@H]2CCCO2)CCN(Cc2ccccc2)C1 566318996 BBATWDDGWCUSMU-PKOBYXMFSA-N 316.445 2.726 0 40 DFAB O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CCCN(c2ncccn2)C1 79475186 CYSLOJBRCUFUGJ-AWEZNQCLSA-N 321.384 2.813 0 40 DFAB COC(=O)c1cc(NC(=O)N(C)CC(F)(F)F)ccc1C 187988558 BVDLJBFWZCWJBV-UHFFFAOYSA-N 304.268 2.808 0 40 DFAB O=C(NCc1nccc(N2CCCCC2)n1)c1ccccc1F 224159210 FRTFDOCGQGJZLY-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB COc1ccc(CCNc2ccc(C(=O)O)cc2N)cc1OC 225322499 ITQIHVKPOCBGOR-UHFFFAOYSA-N 316.357 2.639 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccncc2)C1 225732036 MCQJSASLPMSNIZ-ZIAGYGMSSA-N 306.479 2.736 0 40 DFAB O=C1[C@H](Sc2cnccn2)CCN1c1c(F)cccc1F 88500903 NUXFIECEOKIIAJ-LLVKDONJSA-N 307.325 2.652 0 40 DFAB O=C(NC[C@@H]1CC[C@H](O)C1)NC1CCC(C(F)(F)F)CC1 195578223 FAHDQYPIMQIJRZ-YYJSSNLHSA-N 308.344 2.568 0 40 DFAB Ic1cncnc1NC1CCCCC1 85465087 RWYBXVGORUYGRZ-UHFFFAOYSA-N 303.147 2.826 0 40 DFAB COC(=O)NCCCC(=O)NC1(c2cccc(Cl)c2)CC1 96419223 IDKZEFPHZFTLRW-UHFFFAOYSA-N 310.781 2.582 0 40 DFAB CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CN)cc1 95698919 PMMAMSGWYKLBNB-UHFFFAOYSA-N 318.442 2.889 0 40 DFAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(F)cc3C)C2)C1 96107466 QTIUMZFEQRMYJA-YJBOKZPZSA-N 321.392 2.934 0 40 DFAB CCc1csc(NC(=O)N(C)Cc2nccn2C(F)F)n1 96435580 JNROGSBGTRMTSS-UHFFFAOYSA-N 315.349 2.961 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96039344 QGRVUJFTQLOBQC-HOCLYGCPSA-N 309.431 2.796 0 40 DFAB Nc1cccc([C@H]2CN(C(=O)CC3CCCCC3)CCO2)n1 257251392 JQOAIHBEAHCQOF-OAHLLOKOSA-N 303.406 2.534 0 40 DFAB Cc1ccc(CN2CCOC[C@@H]2CCc2nccnc2C)s1 257240903 HVQWNRMHEHYFSP-HNNXBMFYSA-N 317.458 2.989 0 40 DFAB Cc1cc(N)cc([C@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257317033 VIBUWPQXIARMIU-MRXNPFEDSA-N 318.808 2.594 0 40 DFAB Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)c(C)o1 96120550 NORYGJFYTQIMQO-UHFFFAOYSA-N 316.382 2.923 0 40 DFAB COc1nccc2c(NC(=O)N3CCSCC3)cccc12 585141682 WVLSFDPRXSZLJD-UHFFFAOYSA-N 303.387 2.824 0 40 DFAB CC(=O)N[C@H]1CCCN(Cc2cccnc2)[C@H]1Cc1ccccc1 585268879 CFLUANMQWAOHJM-PMACEKPBSA-N 323.440 2.793 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccccn2)C1 69631923 UYGGTKUWWASNHD-QGZVFWFLSA-N 312.417 2.773 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1sccc1C)CC(C)C 31705970 FDCZCNFURSNJPE-LBPRGKRZSA-N 312.435 2.947 0 40 DFAB CCc1cnc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nc1 1776001754 JSFMFUQDKQZHPM-OAHLLOKOSA-N 315.417 2.765 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2nc3ccccc3n2C)no1 75573265 CVIDAGBWACICLD-CQSZACIVSA-N 311.389 2.856 0 40 DFAB CN(C1CCC1)S(=O)(=O)Cc1ccc(Br)cc1 89334773 OLUSZFKXGCNMBT-UHFFFAOYSA-N 318.236 2.763 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 11750270 UDUIBXPVMGRJRL-UHFFFAOYSA-N 318.380 2.729 0 40 DFAB COc1nn(C)cc1-c1nnc(SCc2ccccc2)n1C 12871628 DYZHADQJTDSTRR-UHFFFAOYSA-N 315.402 2.517 0 40 DFAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccnc1 14566846 YBVVKUUJABOKMT-UHFFFAOYSA-N 309.369 2.960 0 40 DFAB CSc1ncc(CN2CCc3nc4ccncc4cc3C2)cn1 19574156 BQZQPAOASQQALH-UHFFFAOYSA-N 323.425 2.700 0 40 DFAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1C[C@H]2CC[C@H]1C2 101502687 SXHHQZRMVCXFEX-LRDDRELGSA-N 312.344 2.601 0 40 DFAB O=C(O)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1 11801788 SEAYUVBEOAERRV-UHFFFAOYSA-N 314.360 2.846 0 40 DFAB O=C(CN1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F 21822356 KEGYMPQZNMKDSM-UHFFFAOYSA-N 322.714 2.630 0 40 DFAB O=C(COC(=O)c1cccs1)NCCCc1ccccc1 7141446 IKRHIGQXERYMRX-UHFFFAOYSA-N 303.383 2.654 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)c2nn(C)cc2Br)[C@@H]1C 6522995 GHCBYNTZZOJEPD-FXPVBKGRSA-N 314.227 2.737 0 40 DFAB CCn1ncc(Br)c1C(=O)Nc1ccc(OC)cc1 28223714 SPPFKAQZWUCJJV-UHFFFAOYSA-N 324.178 2.926 0 40 DFAB CC(C)c1noc(CN2CCCN(Cc3cccs3)CC2)n1 40513783 QIOFVTZZVLAOBZ-UHFFFAOYSA-N 320.462 2.962 0 40 DFAB FC(F)(F)c1nnc2ccc(NCCc3ccsc3)nn12 40511149 UDTAEBALUWWMNS-UHFFFAOYSA-N 313.308 2.859 0 40 DFAB c1ccc(COC2CCN(c3ncnc4nc[nH]c34)CC2)cc1 40512401 CNKXOYNQVOJWSA-UHFFFAOYSA-N 309.373 2.539 0 40 DFAB CCOc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1C 101354774 XPHQZCOGYCMVOA-INIZCTEOSA-N 315.417 2.872 0 40 DFAB COc1cccc(Nc2nc(N3CCCC3)c3cnn(C)c3n2)c1 20721223 IBCMVOOKXMJQLO-UHFFFAOYSA-N 324.388 2.716 0 40 DFAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cn1 32476843 PDVRAUKEOJBVAZ-LBPRGKRZSA-N 312.369 2.985 0 40 DFAB CCN(Cc1ccccc1)C(=O)COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102206861 ZEDVDBHACDODEW-ULQDDVLXSA-N 313.397 2.791 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)on1 32860372 WTNIKFMSNWDAIY-LBPRGKRZSA-N 314.341 2.508 0 40 DFAB CC1(C)CC(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC(C)(C)N1 103136759 LMFZXVRFXAOBQA-SGMGOOAPSA-N 309.523 2.948 0 40 DFAB CC(C)CC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 558053 XINMCQLRVREYMR-UHFFFAOYSA-N 301.375 2.837 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccc(Cn2cncn2)cc1 33307483 XVGMDYAILBNDHW-UHFFFAOYSA-N 310.332 2.647 0 40 DFAB C[C@H](Sc1nncs1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103247261 JHAFGDZKNDFOGD-DGORSVRFSA-N 311.476 2.960 0 40 DFAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1C(=O)O 33461543 AKFWNRHFJBWVIN-VIFPVBQESA-N 322.411 2.869 0 40 DFAB CN1C(=O)[C@H]2C=CC=C[C@H]2N=C1SCc1ccccc1F 133981 OLTGAGXIVICGRJ-GXTWGEPZSA-N 302.374 2.998 0 40 DFAB CCOC(=O)c1cc(Br)ncc1Br 47202763 MDCJXPCOMJFSHQ-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1C 422416 DUJOYMKMKKMNCU-UHFFFAOYSA-N 321.402 2.534 0 40 DFAB COc1ccc(-c2nnc(S[C@H]3CCCCNC3=O)o2)cc1 8707277 YYDKFPCPKYASMC-LBPRGKRZSA-N 319.386 2.506 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1ccccc1Br 848930 WPYKUYRNLDWLHF-NSHDSACASA-N 311.223 2.663 0 40 DFAB CCc1nnc(NC(=O)CCCOc2ccccc2OC)s1 1893034 XVCSLZZEBQDMRW-UHFFFAOYSA-N 321.402 2.907 0 40 DFAB COc1c(NC(=O)c2ccccc2OC(F)F)c(C)nn1C 79358283 ATOTVWUCRWLEDP-UHFFFAOYSA-N 311.288 2.591 0 40 DFAB Cc1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)no1 2776828 GRJFMUXPZFYIKA-QMMMGPOBSA-N 302.256 2.706 0 40 DFAB O=C(c1ccccn1)N1CCN(Cc2cccc(Cl)c2)CC1 23639407 DRQYLJSWTBCYAG-UHFFFAOYSA-N 315.804 2.693 0 40 DFAB CC(=O)Nc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 4280278 TZFGXOGXSRKYOI-ZQIUZPCESA-N 320.433 2.648 0 40 DFAB N=C1O[C@H](C(Cl)(Cl)Cl)N(c2cccc(F)c2)C1=O 4642786 XWIPNGXCDNOEPM-SECBINFHSA-N 311.527 2.862 0 40 DFAB Oc1ccccc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 24052744 ZAMXXHRPCSGXNK-UHFFFAOYSA-N 324.306 2.528 0 40 DFAB Nc1nc(Cl)cc(NCc2cnn(-c3ccccc3)c2)n1 24056868 PUMZNOPNUPMZDL-UHFFFAOYSA-N 300.753 2.510 0 40 DFAB O=C(Nc1cccc(-c2nnco2)c1)c1cccc2cn[nH]c12 24740308 ANBFVJHMCOGEFI-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2Cl)[nH]n1 24959817 KQLRKBYWSRAVOJ-JTQLQIEISA-N 305.765 2.639 0 40 DFAB CCCOC(=O)c1ccc2nc(C)c(CN(C)C)c(O)c2c1 8717188 XMORALXIQIMSTB-UHFFFAOYSA-N 302.374 2.877 0 40 DFAB O=C(/C=C/c1cccc(-c2ccccc2)c1)NC[C@@H]1COCCO1 55847654 BDFNSGQMUKVBMR-JBVUFVISSA-N 323.392 2.898 0 40 DFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2S(=O)(=O)Nc1ccccc1 104338627 SUNRZRFCJHTXTD-XJKCOSOUSA-N 307.415 2.822 0 40 DFAB CCCCC(=O)Nc1ccccc1N1CCN(C(=O)CC)CC1 9064379 JOOQDGJSUHIJFR-UHFFFAOYSA-N 317.433 2.874 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)Cc2ccc(C)nc2)c1 71865952 JRRXXHMNKHDZRQ-KRWDZBQOSA-N 312.417 2.519 0 40 DFAB COc1ccc(-n2cc(C(=O)NCc3ccc(C)cc3)nn2)cc1 57511639 PXSKYHMQPJMEKK-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB COC(=O)COc1cccc(NC(=O)Nc2ccccc2)c1 27356937 SOJFLJKNKDWOEO-UHFFFAOYSA-N 300.314 2.882 0 40 DFAB O=C(NC[C@H]1CCCO1)Nc1ccc(N2CCCC2)c(F)c1 48137908 SYNKRTDLVISYSD-CYBMUJFWSA-N 307.369 2.726 0 40 DFAB COC[C@@H]1CCCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 110620914 KLBJOHLFUNLXSZ-LSDHHAIUSA-N 312.454 2.602 0 40 DFAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)OCCc1ccccc1 2049259 XWJLDCBHUHPHFX-ZDUSSCGKSA-N 314.337 2.723 0 40 DFAB CCOc1ccc(NC(=O)COc2ccc(CN)cc2)cc1 20027548 LYMHYSAHJZBRFN-UHFFFAOYSA-N 300.358 2.562 0 40 DFAB O=C(NCc1cccc(N2CCCC2=O)c1)OCC(F)(F)F 44980507 HLLNQSFEOXPUHE-UHFFFAOYSA-N 316.279 2.602 0 40 DFAB Nc1nc(Cl)cc(NCc2ncc(-c3ccccc3)o2)n1 44975498 WQFZXXBHBQLUGX-UHFFFAOYSA-N 301.737 2.979 0 40 DFAB CCn1cc(NC(=O)c2ccc(Br)s2)cn1 27916606 NTZYJNJVEIOVIY-UHFFFAOYSA-N 300.181 2.979 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1cccn1C 58421392 MEZZDPLTXXICJJ-CQSZACIVSA-N 300.362 2.798 0 40 DFAB O=C(NC1CCCC1)[C@H](c1ccccc1)N1CCCCC1=O 58428346 PMAGAMCUYNPNNB-KRWDZBQOSA-N 300.402 2.799 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1F 57355036 GAIKHRWICHODOO-YOEHRIQHSA-N 318.392 2.794 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 3397131 QJBMKECFCMKYMQ-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB COC(=O)C1CCN(C(=O)c2cccc3c(C)c(C)[nH]c23)CC1 45273444 FZQUCUJTMLBBAK-UHFFFAOYSA-N 314.385 2.810 0 40 DFAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2ccc(Cl)cc21 52954637 MOEBGISZVDOENB-HNNXBMFYSA-N 319.836 2.895 0 40 DFAB CC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151230 SMQGMUFUZOIXFM-UHFFFAOYSA-N 324.789 2.925 0 40 DFAB NC(=O)Cn1c(SCc2cccc(Cl)c2)nnc1C1CC1 46029168 ILJJIFDJAPDXGH-UHFFFAOYSA-N 322.821 2.587 0 40 DFAB Cn1cc(CCNC(=O)N2CCC[C@@H]2c2ccsc2)cn1 46993466 HIGZWEKJUQUFOQ-CQSZACIVSA-N 304.419 2.571 0 40 DFAB O[C@@H](CN1CCN(CCc2cccs2)CC1)c1ccccc1 64352025 QZNGGUNOVOPIGV-SFHVURJKSA-N 316.470 2.642 0 40 DFAB O=C(CSc1ccccn1)Nc1nnc(C(F)(F)F)s1 6045961 FHJLDKXURSDOFD-UHFFFAOYSA-N 320.321 2.683 0 40 DFAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C 4263136 SRUVOURTNHBZGC-UHFFFAOYSA-N 305.399 2.525 0 40 DFAB O=C(Nc1ccc(Br)cc1F)c1ccc(=O)[nH]c1 13778744 RLWHQMLPSYMQAU-UHFFFAOYSA-N 311.110 2.529 0 40 DFAB Cc1ccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 5138618 SKQOTQATPTXNLR-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@@H]1C 179812872 RSIBAYLKHFEOFI-WDEREUQCSA-N 303.362 2.670 0 40 DFAB O=C(c1cccc2ncccc12)N1CCN(c2nccs2)CC1 14350788 AIVPCNKWMKEBOS-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB CCS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 6669759 OODRUEWRQZOQPD-UHFFFAOYSA-N 308.428 2.518 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 9226312 HVBDSDIVULQAPX-MSERBFRVSA-N 305.761 2.785 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C)cc2)c1C 5865203 LEOCDGUMHRVMAS-UHFFFAOYSA-N 301.342 2.988 0 40 DFAB CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1 93468231 WFRXTAADKQENJH-UKRRQHHQSA-N 311.447 2.563 0 40 DFAB CC(C)c1nc(CN(C)C(=O)COc2cccnc2)cs1 67725795 LJCFMZFEQCWIRJ-UHFFFAOYSA-N 305.403 2.699 0 40 DFAB C[C@@H]1CCCCN1CC(=O)NCCOc1ccc(Cl)cc1 7525270 PTTKRRWFBKZENY-CYBMUJFWSA-N 310.825 2.709 0 40 DFAB O=C(Nc1ccccc1F)c1cccc(CN2CCOCC2)c1 22529997 UUTPQAGYJNIOFK-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB Cc1cccc2[nH]cc(CCNC(=O)N3CCSCC3)c12 71799701 WZOSKSAFDZIOOB-UHFFFAOYSA-N 303.431 2.777 0 40 DFAB COc1cccc(N2CCN(C(=O)Cc3cccs3)CC2)c1 8243881 HALOWOYCQDSHCY-UHFFFAOYSA-N 316.426 2.648 0 40 DFAB C[C@H](CN[C@@H]1CCc2c(Br)cccc21)[S@](C)=O 91405292 KIVLOTDTQRUJHS-HXEOFFAUSA-N 316.264 2.793 0 40 DFAB C/C=C/C=C/C(=O)NCC(=O)Nc1ccccc1Br 8315238 VQNQYRAOXGBWLB-DSXPNFDZSA-N 323.190 2.636 0 40 DFAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ncccn2)C1 9575277 UHDVFWDGXWLECC-OAHLLOKOSA-N 316.449 2.922 0 40 DFAB Cc1cccc(-c2noc(CN[C@@H](C)Cn3cc(C)cn3)n2)c1 69511274 HGZUKZOZMBFNBG-AWEZNQCLSA-N 311.389 2.728 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3c[nH]c4ncccc34)C2)n1 69559569 SHYLKAQQBUMHSI-AWEZNQCLSA-N 323.400 2.854 0 40 DFAB O=C(CS[C@@H]1CCCc2ccccc21)NC[C@@H]1CCOC1 71892688 OCWRUZAUAIQQJH-XJKSGUPXSA-N 305.443 2.950 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2cccs2)cc1C 17842512 YEUYUDDYSWNJPQ-CYBMUJFWSA-N 316.426 2.972 0 40 DFAB C[C@@H](NC(=O)NCC(=O)NC1CC1)c1csc2ccccc12 71879939 MJFSMIMNCCHWAY-SNVBAGLBSA-N 317.414 2.540 0 40 DFAB Cc1cnn(CCNCc2ccc(OCc3ccccn3)cc2)c1 69899964 CQXDUPZISAAQEF-UHFFFAOYSA-N 322.412 2.955 0 40 DFAB O=C(NC1CCCCC1)[C@@H]1CCC(=O)N1Cc1cccs1 72239706 WHDUGLNUIMCOPJ-AWEZNQCLSA-N 306.431 2.688 0 40 DFAB CC(C)N(C)Cc1ccccc1CN[C@@H](C)Cn1cccn1 97162470 SNGHYMFXKHLNSM-INIZCTEOSA-N 300.450 2.902 0 40 DFAB O=C(Nn1cnnc1)c1cc2ccccc2n1Cc1ccccc1 95464741 ZQQJGLQVJCXVJX-UHFFFAOYSA-N 317.352 2.665 0 40 DFAB Cc1nc([C@H](C)NC(=O)Cc2ccccc2F)sc1C(=O)O 97235335 BWECRYXCYNRBQE-VIFPVBQESA-N 322.361 2.709 0 40 DFAB COc1cccc([C@@H](O)CN[C@@H](C)c2cnn(C(C)C)c2)c1 95422282 MCSNHCULQDWJOL-GUYCJALGSA-N 303.406 2.857 0 40 DFAB COc1cccc(CNC(=O)CNC2(c3ccccc3)CC2)c1 72604798 CPQRUIXTYUSBIS-UHFFFAOYSA-N 310.397 2.590 0 40 DFAB CCCc1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c(=O)o1 95416450 OKGPJGSUQDNKKV-UHFFFAOYSA-N 324.384 2.512 0 40 DFAB Cc1ccnc2c1NC(=O)CN2C(=O)c1ccc(Cl)s1 95989181 AZTRBKLWMUCYQE-UHFFFAOYSA-N 307.762 2.704 0 40 DFAB CC(C)c1nc(NS(=O)(=O)c2ccccc2Cl)no1 95994118 OLPAMVHRAJIGNT-UHFFFAOYSA-N 301.755 2.647 0 40 DFAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccncc1 95988979 GXRSGHJKIFDTDP-AWEZNQCLSA-N 301.777 2.744 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1 95943336 TWFZGZQEFROGNI-ZDUSSCGKSA-N 305.447 2.855 0 40 DFAB Cc1cc(F)cc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)c1 89267788 QWXBSCXDOQJUOC-UHFFFAOYSA-N 320.349 2.515 0 40 DFAB O[C@H](CNc1cncc(OCc2ccccc2)n1)c1ccco1 86179705 JCBQFPVUUPBTRF-CQSZACIVSA-N 311.341 2.794 0 40 DFAB CCc1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)c[nH]1 75093398 UEIDMMBCSSBTAO-UHFFFAOYSA-N 318.808 2.588 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@H]2CCSc3ccc(F)cc32)C1 89941616 WZVOFJFLRUSYHQ-OCCSQVGLSA-N 308.422 2.963 0 40 DFAB C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1F 182343315 AHTFYGUHBHBPQR-YPMHNXCESA-N 313.344 2.538 0 40 DFAB COc1ccc2nc([C@H]3CCN(C4CCOCC4)C3)[nH]c2c1 35446788 XPGCSVKKPBPKSU-LBPRGKRZSA-N 301.390 2.540 0 40 DFAB biogenic,in-vitro C[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(C)C 38614510 GALFCOGDBDRBKU-OCCSQVGLSA-N 320.364 2.605 0 40 DFAB C[C@](O)(CNC(=O)c1ccccc1Br)c1ccco1 75156240 VFDZQYKTBUEACC-AWEZNQCLSA-N 324.174 2.680 0 40 DFAB CC[C@H](NS(=O)(=O)CC)c1nc(C(F)(F)F)cs1 74975927 XXASEFITUCIJDE-LURJTMIESA-N 302.343 2.552 0 40 DFAB Nc1c(C(=O)O)cccc1C(=O)c1ccc(Br)cc1 77270957 ZIZCAIMGHAJJPV-UHFFFAOYSA-N 320.142 2.961 0 40 DFAB in-vitro CC[C@H](C)[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 71745276 ZOTPKDADJQXKAP-BONVTDFDSA-N 322.792 2.910 0 40 DFAB CC(=O)Nc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1 78553233 QKYUVUVSPYYFRY-NSHDSACASA-N 300.406 2.846 0 40 DFAB CN(C(=O)C(F)(F)F)c1cccc(Cl)c1N1CCOCC1 226280507 AHRGRPMINLJXHV-UHFFFAOYSA-N 322.714 2.702 0 40 DFAB COCCNC(=O)c1cc(N)ccc1N[C@H](C)c1ccccc1 225459013 XRPWZSXCRSECQI-CYBMUJFWSA-N 313.401 2.818 0 40 DFAB CC[C@]1(C)Oc2ccc(NC(=O)Cc3cc(C)[nH]n3)cc2O1 135267230 JSIGIODDBDFWFM-MRXNPFEDSA-N 301.346 2.797 0 40 DFAB COC(=O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 45953408 MTHWJXGROWKLEK-SSDOTTSWSA-N 321.682 2.885 0 40 DFAB COc1ccccc1OC[C@@H](C)NC(=O)Cc1ccccc1F 225450768 JIQIEZAFOYNXHJ-CYBMUJFWSA-N 317.360 2.961 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)CSC)cc1 80380911 QSFJHRJEGKAKJY-JTQLQIEISA-N 305.403 2.567 0 40 DFAB CC(C)(C)c1cnc(CNc2cc(C(N)=O)c(F)cc2F)o1 85277026 CAQQKFINXLHPIN-UHFFFAOYSA-N 309.316 2.961 0 40 DFAB Cc1cc(C(=O)O)c(=O)n(Cc2ccc(Cl)c(Cl)c2)n1 225961474 MUTPESQCDASOBR-UHFFFAOYSA-N 313.140 2.605 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)CC2 96196840 BMWILIJRVCEGBQ-UHFFFAOYSA-N 318.490 2.843 0 40 DFAB C[C@H]1CO[C@H](c2ccccc2)CN1CCOC[C@@H]1CCCO1 96421110 JLPBXLLGVLYDFU-SZMVWBNQSA-N 305.418 2.644 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)SC(=S)N2CCCC2)C1 97603805 BXEDKEBLGZCWFA-FRRDWIJNSA-N 314.520 2.993 0 40 DFAB CSC(C)(C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 96435017 IFSULLUJGURKNS-UHFFFAOYSA-N 310.345 2.709 0 40 DFAB C[C@@]1(C(=O)OCC(F)(F)F)CCCN1C(=O)c1ccccc1 96408990 IZFDQLMCRQUMFY-AWEZNQCLSA-N 315.291 2.787 0 40 DFAB C[C@@H](OC(=O)c1ccccc1Cn1cncn1)c1cccnc1 96442127 XCVVJGDBKYZRIA-CYBMUJFWSA-N 308.341 2.639 0 40 DFAB CCOC(=O)[C@H]1CN(Cc2ccsc2)Cc2ncn(CC)c21 96059360 URMVNKNWODVJIR-ZDUSSCGKSA-N 319.430 2.627 0 40 DFAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cc(C)oc1C)C2 96077034 SXBVSYAXHNSZBN-GOSISDBHSA-N 318.417 2.904 0 40 DFAB c1cncc(COCC[C@@H]2CCOC3(C2)CN(CC2CC2)C3)c1 247896601 VBIXOHABKNAMOB-MRXNPFEDSA-N 316.445 2.879 0 40 DFAB O=C(c1ccccn1)N1CCCC[C@@H]2NC[C@@H](c3ccccc3)[C@@H]21 257279827 OIIYJTWAXYREQT-LNLFQRSKSA-N 321.424 2.832 0 40 DFAB O=C(NCC1CCOCC1)C1(Cc2ccccc2)CCOCC1 257202127 AKPHCXCEQDKUGS-UHFFFAOYSA-N 317.429 2.569 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)cc1 257254124 KBSCTWXKISFJHH-OAHLLOKOSA-N 313.401 2.675 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@H](c2ccnc(O)n2)C1 257203799 ARRDAXPKAWOOMB-LBPRGKRZSA-N 317.414 2.583 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257337192 YRVAWDWGTXZORT-RKVPGOIHSA-N 319.449 2.549 0 40 DFAB Cc1nc(C)c(CC(=O)N[C@H](c2cccs2)C(C)C)c(=O)[nH]1 31257843 IWUWNXGRPIMHHJ-HNNXBMFYSA-N 319.430 2.504 0 40 DFAB CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc2n1CCCC2 71799652 NDOSZRQSHIPUAK-UONOGXRCSA-N 319.453 2.628 0 40 DFAB CCC(C)(C)NC(=O)c1nnn(-c2ccc(OC)cc2)c1C 32967784 XVLFZXBCJAFRNU-UHFFFAOYSA-N 302.378 2.503 0 40 DFAB O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1cccc(F)c1C(=O)O 899541370 VSYPJRCADXKRQJ-GWCFXTLKSA-N 307.321 2.810 0 40 DFAB CCOC(=O)C1(NC(=O)Cc2cccc(F)c2)CCCCC1 49769551 OFABLVMCCUWWSM-UHFFFAOYSA-N 307.365 2.750 0 40 DFAB CCN(CCC(F)(F)F)C(=O)NCc1cccc2c1OCO2 58247476 BFRIDVRSOGAXGY-UHFFFAOYSA-N 318.295 2.899 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1sccc1C 87066089 YNJXDTZGYXIEEN-LLVKDONJSA-N 319.434 2.545 0 40 DFAB Cc1cc2cc(NC(=O)CS(=O)(=O)C3CCCC3)ccc2[nH]1 97489637 MMSVAGXVJXZRCL-UHFFFAOYSA-N 320.414 2.772 0 40 DFAB Cc1ccc(N2CCN(c3nccc4sccc34)CC2)nn1 663914791 UZDSLYSOHKAECX-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB COc1ccc(C(=O)COC(=O)/C=C/c2ccco2)cc1F 5182698 YQJCHMMDRHAIRA-FNORWQNLSA-N 304.273 2.867 0 40 DFAB CC[C@@H](C)NC(=O)Cn1c(C2CCOCC2)cc2cccnc21 12222084 XIFSSLUWADEWGO-CYBMUJFWSA-N 315.417 2.845 0 40 DFAB c1cc(-c2ccc(-c3noc(CN4CCCC4)n3)cc2)ncn1 12337086 SVXYTNMEXQEDFC-UHFFFAOYSA-N 307.357 2.789 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)Cc2cccc(C)c2)cc1 13649066 SNUIBSSIHQCBRE-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB CC(=O)N(C)c1ccc(NS(=O)(=O)c2cccs2)cc1 14257263 YUVAWFMWHHPYCK-UHFFFAOYSA-N 310.400 2.532 0 40 DFAB Cc1ccc(-c2ccc(CNCCNC[C@H](C)O)o2)cc1Cl 19200336 RKZRHOILNQYJJH-ZDUSSCGKSA-N 322.836 2.968 0 40 DFAB O=C(O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293674 WWGMHVFLVIKFKQ-ZDUSSCGKSA-N 307.321 2.590 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 169310393 AATLTRSTZYMCGM-ZMSDIMECSA-N 314.404 2.796 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)c1cc2c(nn1)CCCC2 1888856836 UETFCPPLPBTBDJ-UHFFFAOYSA-N 300.387 2.942 0 40 DFAB Cc1cc(OC2CN(C(=O)c3c(F)cccc3F)C2)ccn1 1889148980 KADNASLNEZLISD-UHFFFAOYSA-N 304.296 2.572 0 40 DFAB Cc1cccn2cc(CNC(=O)c3c(F)cccc3F)nc12 2960797 SBPFCQVBMLOALK-UHFFFAOYSA-N 301.296 2.851 0 40 DFAB Cc1ccc2cc(CCNC(=O)c3ccccc3F)c(=O)[nH]c2c1 3911709 TUWYYNWRJORKFF-UHFFFAOYSA-N 324.355 2.948 0 40 DFAB Cc1ccccc1Cn1c(S(C)(=O)=O)nc2ccccc21 4304792 GDMKTIGLGJPAQL-UHFFFAOYSA-N 300.383 2.797 0 40 DFAB Cc1ccccc1NC(=O)NC[C@@H]1CCCN1c1ncccn1 585150495 UHGWQDJSQUIGOF-AWEZNQCLSA-N 311.389 2.576 0 40 DFAB Cc1cccnc1OCC1CCN(c2ncc(F)cn2)CC1 585526944 ODVSBMXJCXURLI-UHFFFAOYSA-N 302.353 2.615 0 40 DFAB COc1ccccc1CCNc1ncnc2c1ncn2C1CC1 292450691 NUMCBFUSYQZBFA-UHFFFAOYSA-N 309.373 2.824 0 40 DFAB Cn1c(N2CCC[C@H](COc3cnccn3)C2)nc2ccccc21 2298221142 HPDLMCOZQTZYDA-AWEZNQCLSA-N 323.400 2.659 0 40 DFAB O=C(O)CC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCC1 69951 RIUGTJRNIPVSFR-UHFFFAOYSA-N 305.330 2.779 0 40 DFAB CC1(C)NC(=O)N(Cc2coc(-c3ccc(Cl)cc3)n2)C1=O 31076530 UBHKPCOLQGNOJI-UHFFFAOYSA-N 319.748 2.825 0 40 DFAB COc1cc(CN[C@H](C(N)=O)c2ccccc2)ccc1SC 51187564 IFNHGKYTOBTILX-INIZCTEOSA-N 316.426 2.733 0 40 DFAB Cc1cc([C@@H](C)NC(=O)CN2CCCCCC2=O)c(C)s1 40509383 KQXXOUNDGUMFPS-GFCCVEGCSA-N 308.447 2.945 0 40 DFAB Cc1cc(N2CCN(Cc3cccnc3)CC2)nc(C(C)C)n1 32819598 XXSPBIZRPSJVBJ-UHFFFAOYSA-N 311.433 2.626 0 40 DFAB COC(=O)c1cnc(NC(=O)COc2ccc(C)cc2C)s1 21865137 FVLSBBBJFLEZJE-UHFFFAOYSA-N 320.370 2.564 0 40 DFAB CCc1nc(C)c2c(C)c(C(=O)NC[C@H]3CCOC3)sc2n1 41368800 UUZORHFRHBRWLG-LLVKDONJSA-N 319.430 2.637 0 40 DFAB C[C@@H](NC(=O)c1ccsc1)c1ccc2c(c1)NC(=O)CO2 33174603 JHIWGRIJOLDRRR-SECBINFHSA-N 302.355 2.570 0 40 DFAB CC(C)(C)c1nnc(N2CCOCC2)nc1Nc1ccccc1 22422068 AOSVGKKDINKWPB-UHFFFAOYSA-N 313.405 2.749 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 22685143 ZMYHCLFAROKGLG-LZWOXQAQSA-N 302.418 2.890 0 40 DFAB O=C(c1ccco1)N1CCC(NCc2ccc(F)c(F)c2)CC1 42206560 RGOMMNPBKQPLKO-UHFFFAOYSA-N 320.339 2.952 0 40 DFAB O=C1c2ccccc2C(=O)N1c1cc(Br)ccc1O 55238 FLISEWFDRZNEBX-UHFFFAOYSA-N 318.126 2.955 0 40 DFAB CCc1csc([C@H]2CCCN(C(=O)c3ncccn3)C2)n1 72300308 OQYBRZDTPXSMJC-NSHDSACASA-N 302.403 2.515 0 40 DFAB Fc1cc(F)c(NCc2noc(C3CCOCC3)n2)cc1F 104386755 KTTKGHUYBKNJFJ-UHFFFAOYSA-N 313.279 2.993 0 40 DFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccs1 1328897 JJRRYRVFTJJKEF-CQSZACIVSA-N 301.367 2.925 0 40 DFAB C[C@H](CNc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12 79100578 VPODZAYLCWLZON-CYBMUJFWSA-N 321.380 2.759 0 40 DFAB COCCNC(=O)c1sc(=S)n(-c2cccc(C)c2)c1N 7499943 SFIKRGGMISZYRD-UHFFFAOYSA-N 323.443 2.535 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)NCc1ccc(F)cc1 8327172 XNFJKDNZLAYDOE-UHFFFAOYSA-N 314.360 2.570 0 40 DFAB CN(Cc1ccccc1)C(=O)CNC(=O)N1CCCCCCC1 56927799 ZXVNTDGGBBZLEU-UHFFFAOYSA-N 317.433 2.621 0 40 DFAB Cc1cc(C)cc(NC(=O)CN[C@@H]2CCCCC[C@@H]2CO)c1 95941485 NZABDFMYXXSCAA-NVXWUHKLSA-N 304.434 2.773 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCOc2ccccc2)C1 3244536 WSKASDNGLBUWPC-GJZGRUSLSA-N 319.401 2.503 0 40 DFAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1CCO[C@H](C)C1 108155189 XJGVYOMYQOXCFH-JFGNBEQYSA-N 315.772 2.930 0 40 DFAB Cc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)cc1C 44204703 AWQMRLYUHIBASD-UHFFFAOYSA-N 318.394 2.969 0 40 DFAB COCCNC(=O)CSCc1c(Cl)cccc1Cl 57684154 GLMDDOBXCBOYGH-UHFFFAOYSA-N 308.230 2.989 0 40 DFAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccnc2)c1 58015256 FMBZUVWSECYMJL-LLVKDONJSA-N 314.345 2.699 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(CC(N)=O)Cc2cccs2)o1 58167143 PZLOMQIHSBNYBK-RISCZKNCSA-N 304.415 2.952 0 40 DFAB COc1ccccc1[C@H](C)N(C)CCn1c(C)csc1=O 48275666 SBIIOUGMEDNSES-ZDUSSCGKSA-N 306.431 2.920 0 40 DFAB O=C(CN(Cc1ccco1)C1CC1)N1CCc2sccc2C1 45005174 SRFPANMMELTPPX-UHFFFAOYSA-N 316.426 2.890 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2 3335479 IWDVOTAICHHRLR-UHFFFAOYSA-N 301.367 2.896 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 100201992 JBKUPYOUMTYOAH-XSLAGTTESA-N 317.344 2.796 0 40 DFAB Cc1ccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)n1C 23575811 VAUSHLPIALUSRX-UHFFFAOYSA-N 324.384 2.633 0 40 DFAB CCCCN(CCCC)S(=O)(=O)N[C@H](C)c1ccccn1 46033704 FXUKNHIGFQDUIH-CQSZACIVSA-N 313.467 2.879 0 40 DFAB CCCCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1 36971591 WBKNVSJKTVPXQB-AWEZNQCLSA-N 309.431 2.965 0 40 DFAB Cc1cccnc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 46469293 LZLUISSGZSIBOB-CYBMUJFWSA-N 301.394 2.823 0 40 DFAB O=C1c2ccncc2C(=O)N1c1ccc(OC(F)(F)F)cc1 22073227 SWUWRDCGZOHTKO-UHFFFAOYSA-N 308.215 2.781 0 40 DFAB COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 2771498 JIYIZZKQWJSONI-HZPDHXFCSA-N 307.357 2.828 0 40 DFAB Cc1nc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2)s1 13224977 GKDDPSDRQGFERQ-GFCCVEGCSA-N 304.371 2.706 0 40 DFAB CN(CCO)C(=O)c1ccc(OCc2cccc(F)c2F)cc1 95402977 AQFDTNAMUUTTOR-UHFFFAOYSA-N 321.323 2.608 0 40 DFAB CSc1cccc(NC(=O)N[C@H]2CCC3(C2)OCCO3)c1 95464562 DNYRJCBOVPSHBN-LBPRGKRZSA-N 308.403 2.826 0 40 DFAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)[C@@H]1CCCO1 28574325 BXRFSZDQEAPNQC-AWEZNQCLSA-N 323.755 2.841 0 40 DFAB O=C(O)CCSCC(=O)c1ccc(Br)cc1 6221279 SZGLRTGHASFERP-UHFFFAOYSA-N 303.177 2.840 0 40 DFAB O=C(NCCCOC[C@H]1CCCO1)c1cc2c(s1)CCC2 65399466 KRDQVFVKHPVLKR-CYBMUJFWSA-N 309.431 2.552 0 40 DFAB CC(C)CNC(=O)c1cc(F)ccc1I 65591275 GPXSYLFMAUSNDK-UHFFFAOYSA-N 321.133 2.816 0 40 DFAB COc1cccc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 6486751 ZHZYIOMLWFJMNF-ZDUSSCGKSA-N 313.353 2.904 0 40 DFAB O=C(c1cnc(C2CC2)s1)N1CCC[C@@H](n2cccn2)C1 65608639 BEWNKVARIQQRLT-GFCCVEGCSA-N 302.403 2.694 0 40 DFAB COc1cccc(NC(=O)CN(C)Cc2ccccc2OC)c1 6590470 QAEGOIJMINLSLZ-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)Cc2ccsc2)[C@@H]1C 4863514 VMYKNXXLAZMSSN-YRGRVCCFSA-N 309.431 2.775 0 40 DFAB CCCn1nc(C(=O)N2CCCCCC2)c2ccccc2c1=O 15272518 JZHRQKPGPLXLDK-UHFFFAOYSA-N 313.401 2.823 0 40 DFAB COc1ccccc1C(=O)NC(=O)CSc1nc(C)cs1 7195861 RHPAQSYTTJVCSA-UHFFFAOYSA-N 322.411 2.509 0 40 DFAB CCOC(=O)c1cccnc1N1CCO[C@H](c2ccc(C)o2)C1 95941146 AQVMOBYXKFXIBI-HNNXBMFYSA-N 316.357 2.738 0 40 DFAB CC(C)[C@@H](CN1CCOCC1)NCc1cnc(C2CCC2)s1 95415560 XPSYSGAONREVKN-MRXNPFEDSA-N 323.506 2.857 0 40 DFAB C[C@H](NC(=O)Cn1ccnn1)C(c1ccccc1)c1ccccc1 96454910 SVHXUQFHNJCRAW-HNNXBMFYSA-N 320.396 2.615 0 40 DFAB COc1cccc(CCC(=O)NCc2nc3ccccc3[nH]2)c1 9515286 BEVSIONZJVIAPA-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB COc1cc(CNCCO)ccc1OCc1ccccc1C 16362775 FPQCDXQOAAOFMC-UHFFFAOYSA-N 301.386 2.665 0 40 DFAB COc1ccccc1CNC(=O)c1ccc(-n2cccn2)cc1 8277811 LTORUNJFYAQNAN-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB Cc1cnn(CCC(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1 71888153 FPSYNTFHGNEGTH-KRWDZBQOSA-N 301.365 2.988 0 40 DFAB O=C(CCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 8389303 AHBHZZLUODBWMS-UHFFFAOYSA-N 310.397 2.674 0 40 DFAB CCC(=O)Nc1ccc(O)c(C(=O)Nc2ccc3[nH]ncc3c2)c1 71897844 XCGDXUZIZTTYNK-UHFFFAOYSA-N 324.340 2.869 0 40 DFAB Cc1cnn(C[C@H](C)NCc2c(C(C)C)nn(C)c2Cl)c1 69490116 UKJKFPZYGLAYSI-LBPRGKRZSA-N 309.845 2.880 0 40 DFAB CN(CCc1ccncc1)[C@H]1CCN(c2ccccc2F)C1=O 71900670 CEGGDIBYXRQUDU-KRWDZBQOSA-N 313.376 2.501 0 40 DFAB CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc1 69811026 ZSWXGAIWYCLPSY-WMZOPIPTSA-N 314.429 2.731 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1 69950781 YQTYDJUAEXKJKN-CYBMUJFWSA-N 309.373 2.545 0 40 DFAB Cc1cccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)c1 8747684 ANLBINPNZNEVQE-UHFFFAOYSA-N 309.369 2.677 0 40 DFAB CCCN1CCC(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)CC1 73953075 RASGBDNRKZFEAF-IAGOWNOFSA-N 305.466 2.716 0 40 DFAB CC(C)c1cc(C(=O)Nc2cc(C(=O)O)ccc2F)n(C)n1 97036195 PIONQURERRYWER-UHFFFAOYSA-N 305.309 2.633 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 97143042 AZVAMSJDEFNDOE-OAHLLOKOSA-N 312.373 2.779 0 40 DFAB CCC[C@@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC 97164444 YPAOXLHGHKUXDF-IAGOWNOFSA-N 318.461 2.971 0 40 DFAB COCc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1 97138994 PWPXXKBKJWSBJG-UHFFFAOYSA-N 311.429 2.546 0 40 DFAB CCN(C)C(=O)c1ncc(Br)cc1Br 97115409 DPTPQZSHEKKSKQ-UHFFFAOYSA-N 322.000 2.699 0 40 DFAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)Cc1ccc(O)cc1 89522754 UPHNFKDJWZVDOF-NSHDSACASA-N 301.390 2.569 0 40 DFAB CCCOc1cc(CNc2c(C)c(C)nc3ncnn23)ccn1 89960289 ZTUSKOCDIXCBII-UHFFFAOYSA-N 312.377 2.537 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 75602737 ZAHWWVWAUISMED-AWEZNQCLSA-N 318.446 2.671 0 40 DFAB CC(C)c1nnc(CN[C@H](C)c2cccc(-n3ccnc3)c2)n1C 189911664 ZCNRPMARAOVYCO-CQSZACIVSA-N 324.432 2.975 0 40 DFAB Cc1ccccc1[C@H]1CN(Cc2cc(=O)c(O)co2)[C@H](C)CO1 75785136 CYTOSOWBTWJUGZ-FZKQIMNGSA-N 315.369 2.616 0 40 DFAB Cc1c(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cnn1C 72369829 MXBBZBLWGBYZDC-HNNXBMFYSA-N 323.400 2.768 0 40 DFAB O=S(=O)(Cc1ccccc1)N[C@@H](CCCO)c1ccccc1 77410281 WEJJJGIWPBSPLC-KRWDZBQOSA-N 319.426 2.620 0 40 DFAB COc1ccc2c(c1)CCCN(C(=O)CC1(O)CCCC1)C2 73376431 NVEFNHLHNSNGCM-UHFFFAOYSA-N 303.402 2.665 0 40 DFAB Cc1cncc(C(=O)N(C)c2ccc(Br)cn2)c1 74718879 ACZVQNIKTJVCFX-UHFFFAOYSA-N 306.163 2.824 0 40 DFAB O=C1C[C@H]([C@H]2CCCCN2Cc2ccc(Cl)cc2F)CN1 225451827 LQFMIBSZNCIJSZ-SWLSCSKDSA-N 310.800 2.970 0 40 DFAB O=C(NCc1cncc(-c2cccs2)c1)NC1CCOCC1 225668292 QLFPXDMVOFZDLY-UHFFFAOYSA-N 317.414 2.788 0 40 DFAB CC(C)Sc1nnc(NS(=O)(=O)c2ccccc2)s1 223465100 AECHYSNEDGCGHQ-UHFFFAOYSA-N 315.445 2.839 0 40 DFAB Cc1nc(C)c(CNS(=O)(=O)c2ccccc2Cl)s1 86071776 AHIWCLKPQSVGAH-UHFFFAOYSA-N 316.835 2.892 0 40 DFAB C[C@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1csnn1 570908061 RLNMMDZRJBQMOI-NSHDSACASA-N 319.434 2.507 0 40 DFAB CSc1ccc(O[C@@H](C)C(=O)NCCc2cccnc2)cc1 96419236 NCNUGRVWFIXNEO-ZDUSSCGKSA-N 316.426 2.930 0 40 DFAB COc1ccc(CC(=O)Nc2cc(-c3ccncc3)no2)cc1 96183267 KHPZMSUSQUOTFS-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB COc1ccccc1-c1ccc([C@@H](C)NS(C)(=O)=O)cc1 96428337 OKZVLXPFZWNPTE-GFCCVEGCSA-N 305.399 2.972 0 40 DFAB c1cc(OC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)ccn1 96216551 OQTXLGBCXOJIHV-DJIMGWMZSA-N 316.426 2.669 0 40 DFAB CC(C)C[C@@H](C)OC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 583651563 OHNLKFBCPLCTIM-TZMCWYRMSA-N 310.438 2.794 0 40 DFAB COc1ncccc1CN1CC2(C[C@@H](OCC3CC3)CS2)C1 247832700 HXPFMQVNGJKDBB-OAHLLOKOSA-N 320.458 2.577 0 40 DFAB Cc1ccc(Nc2nc([C@H]3CCCN3CCO)cs2)nc1 257282892 OVTICRFHKKISDL-CYBMUJFWSA-N 304.419 2.719 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 252587654 ZQWGEAOKMLJDGR-MZGVZZPPSA-N 321.442 2.648 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCCC[C@@H]1c1ccn[nH]1 257215847 CRXLDCUDAMBQOG-GOSISDBHSA-N 324.428 2.916 0 40 DFAB Cc1ncc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 257317452 VJUMDGLONYWODH-HWWDLCQESA-N 323.396 2.715 0 40 DFAB CCCCN(CCO)Cc1cccc(C(=O)N2CCCCC2)c1 69921258 VXCJXAZORJJGNW-UHFFFAOYSA-N 318.461 2.907 0 40 DFAB COc1ccc(NC(=O)NC[C@H](O)c2ccccc2)cc1OC 69419915 STOMUFVRQRUYGO-AWEZNQCLSA-N 316.357 2.559 0 40 DFAB CCN(Cc1ccco1)C(=O)NC[C@@H](C)Cn1nc(C)cc1C 47095947 DAJFNKNHPPGFGR-CYBMUJFWSA-N 318.421 2.961 0 40 DFAB Cc1cnc(CCNC(=O)NCc2cccc(N(C)C)c2)s1 73941358 NYSIJJPFFNYZGF-UHFFFAOYSA-N 318.446 2.559 0 40 DFAB Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cnccc2C)o1 84250978 CBOMQUCZBGVIEX-AWEZNQCLSA-N 313.357 2.594 0 40 DFAB CCS(=O)(=O)CCN[C@H](C)c1ccccc1C(F)(F)F 95967655 PWNHBXVFHSMWEG-SNVBAGLBSA-N 309.353 2.791 0 40 DFAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1cccc(F)c1 5927278 AJTQWWQQCBHWHS-UHFFFAOYSA-N 318.329 2.651 0 40 DFAB COC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12326678 YEPZCIIZWAYAAW-UHFFFAOYSA-N 319.332 2.993 0 40 DFAB O=C(Cc1cccc(F)c1)N1CCN(Cc2ccccc2)CC1 19934920 HMQHPDLVBPNBEC-UHFFFAOYSA-N 312.388 2.713 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1C 150747188 YUIURHORBDXXAZ-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC1CCCC1 161555395 XKWBNRZLKJHUMF-UHFFFAOYSA-N 303.337 2.867 0 40 DFAB Cc1nc(S[C@@H]2CCOC2=O)c2c3c(sc2n1)CCC3 6114190 GJJKZDHQBBZEAF-SNVBAGLBSA-N 306.412 2.896 0 40 DFAB Cc1ccnc(NCc2ncc(-c3ccccc3C(=O)O)cn2)n1 2037655582 ZAGMGQATYIPFLU-UHFFFAOYSA-N 321.340 2.552 0 40 DFAB CSc1nc(C)cc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 2087121015 OLAPQKDABBMMPH-UHFFFAOYSA-N 322.478 2.638 0 40 DFAB O=C(Cc1cccs1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565520254 KJBFSTZROLPXAW-STQMWFEESA-N 301.415 2.882 0 40 DFAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)CCc3ccc[nH]3)C1)CO2 1565556371 FKXULYSURHDHTL-IBGZPJMESA-N 310.397 2.818 0 40 DFAB O=C(NC1CCCC1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195759 RHSPOSMHZQSHPE-CYBMUJFWSA-N 321.808 2.687 0 40 DFAB CN(C)CCOC(=O)[C@H]1CC2=C(C[C@@H]1C(=O)O)C(C)(C)CCC2 517955 PKMWXNTYYZTJQQ-KBPBESRZSA-N 323.433 2.709 0 40 DFAB biogenic O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccccc1Cl 101026838 OTZOOHCCTVUVNE-AWEZNQCLSA-N 316.744 2.868 0 40 DFAB O=C(/C=C/C(=O)N1CCCc2ccccc21)NCc1ccccc1 33019259 JXYWJOVBYIAARO-OUKQBFOZSA-N 320.392 2.838 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 33146054 AMBWMBOGKFHBSZ-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB C[C@H]1CN(Cc2csc(NC(=O)c3ccco3)n2)C[C@H](C)O1 22325480 ZKRPVVMQNWMFGU-QWRGUYRKSA-N 321.402 2.598 0 40 DFAB O=C1[C@H]2CSCN2C(=O)N1c1ccc(Cl)c(Cl)c1 480060 RVIVCHNDTWUOHY-SECBINFHSA-N 303.170 2.835 0 40 DFAB O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl 559174 RNFOPFRBIBSRNT-UHFFFAOYSA-N 311.696 2.545 0 40 DFAB O=C1CSC(=O)N1CNc1cccc(Br)c1 1027506 XZJMJXJXXOOKMQ-UHFFFAOYSA-N 301.165 2.514 0 40 DFAB COc1ccc(Nc2nc(N3CCCC3)nc3[nH]ncc23)cc1 23135995 MVECTOJFBZOLSC-UHFFFAOYSA-N 310.361 2.705 0 40 DFAB COC(=O)[C@@H](C)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 79066194 KJVUFZXLAZXUKS-ZETCQYMHSA-N 322.258 2.775 0 40 DFAB Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3280200 UEYHXMSNMCVUCC-UHFFFAOYSA-N 323.352 2.527 0 40 DFAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(Br)o1 4714187 CHEKPOUFZVLABL-VURMDHGXSA-N 308.087 2.980 0 40 DFAB CCOc1ccc(CCC(=O)N(C)C2CCN(C)CC2)cc1 55158970 WKYKNQVZCXQNNV-UHFFFAOYSA-N 304.434 2.571 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccncc3)cc2C)CC1 12543491 FQCODLISYLAPQM-UHFFFAOYSA-N 324.428 2.784 0 40 DFAB Cc1ccc(C(=O)OCc2cnc(-c3cccs3)o2)c(=O)[nH]1 72292116 ZKERWERTDHEUSK-UHFFFAOYSA-N 316.338 2.757 0 40 DFAB CC(=O)c1cccc(OCC(=O)Nc2nc(C(C)=O)cs2)c1 25256385 AUKFRNANIDABST-UHFFFAOYSA-N 318.354 2.566 0 40 DFAB Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCOC3)cs2)o1 55924621 ZMPBFSRNMDQRRU-LBPRGKRZSA-N 320.414 2.797 0 40 DFAB O=C(C1CC1)N1CCC(Nc2ncnc3ccsc23)CC1 43537401 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NNEZTDWJYPFZPT-UHFFFAOYSA-N 318.461 2.820 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C)CC1 209714922 ODCQRZUYFQXKIT-DQNOZDRDSA-N 324.490 2.893 0 40 DFAB O=c1c2ccccc2nc2n1[C@H](O)Cc1c-2[nH]c2ccccc12 14689114 DPDVXGJNOSVWGA-OAHLLOKOSA-N 303.321 2.592 0 40 DFAB biogenic O=C(Nc1nncs1)c1cc(Br)ccc1F 19814959 MTIMHBUKROOFTK-UHFFFAOYSA-N 302.128 2.692 0 40 DFAB O=C(c1ccco1)N1CCC(Cc2nc(C3CC3)no2)CC1 1889136116 HYRMEJXPILGRMZ-UHFFFAOYSA-N 301.346 2.635 0 40 DFAB O=C(NCc1cccnc1)c1nnc(-c2cccc(Cl)c2)o1 6786238 HWWOPGSMSFBBRI-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB COC[C@@](C)(CNC(=O)Cc1cccc2ccccc12)OC 575611897 HSTGCBWLOAEQMY-GOSISDBHSA-N 301.386 2.550 0 40 DFAB Cn1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)cn1 341778053 VHAFQDOQTKZRCV-MRXNPFEDSA-N 319.355 2.995 0 40 DFAB CC1CCC(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)CC1 50052573 NUKLFKZXYBXIJX-XUJLQICISA-N 320.433 2.863 0 40 DFAB O=C(Nc1nccs1)c1ccc(NC(=O)C(F)(F)F)cc1 36719 WKCMIHIQJSKISR-UHFFFAOYSA-N 315.276 2.896 0 40 DFAB COc1cc(OC)cc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)c1 40309950 RHYBEWUZABJLQT-MJGOQNOKSA-N 324.380 2.628 0 40 DFAB biogenic CN(c1ccccc1)S(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 100759825 OPWRQUSOICEUQL-DYVFJYSZSA-N 321.442 2.848 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)oc2c(Cl)cccc12 40521192 GELWKWWPUBXRMO-GFCCVEGCSA-N 320.776 2.793 0 40 DFAB Cc1nc2ccc(Cl)cn2c1C(=O)NCCCCCC(=O)O 31965324 SOZBJFPWYKXWRC-UHFFFAOYSA-N 323.780 2.671 0 40 DFAB CCOc1ncccc1CNC(=O)NCCc1cccs1 32794867 BYMJFFVIFXBEOR-UHFFFAOYSA-N 305.403 2.584 0 40 DFAB CCCN1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 53408757 XQVQBHLKXNDLDQ-AWEZNQCLSA-N 320.481 2.662 0 40 DFAB O=C(O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1 2808373 MAKLSKQHYKGRBU-UHFFFAOYSA-N 312.297 2.922 0 40 DFAB Cc1ccc2c(CC(=O)O[C@H](C)C(=O)N3CCCC3)coc2c1 104634642 BKENAUCKDQFNRZ-CYBMUJFWSA-N 315.369 2.838 0 40 DFAB COc1ccc(C(=O)Oc2ccccc2OCC(C)=O)cc1 3190021 JUVZGYDITGOZPR-UHFFFAOYSA-N 300.310 2.882 0 40 DFAB Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2ccccc2)C1 23898235 DTHUSASCQWEUCE-KRWDZBQOSA-N 314.385 2.824 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)cc1C 6679922 VLJGIMNOGWGXSQ-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccs1 6688133 CAACQCBLBWNQGY-LOIXOFCESA-N 309.387 2.580 0 40 DFAB CCCCn1c(CCCNC(=O)COC)nc2ccccc21 7343648 FTCOMKMBGOTQMW-UHFFFAOYSA-N 303.406 2.532 0 40 DFAB CCn1nnnc1NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7602347 QRQUZTWXDUSZNN-LLVKDONJSA-N 313.361 2.618 0 40 DFAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 8041657 RVCVYEYSGRKJCJ-ZDUSSCGKSA-N 312.369 2.808 0 40 DFAB COCCCCOC(=O)c1ccc(NC(=O)NC2CC2)cc1 52749265 ZTGUZNYSQZLLDF-UHFFFAOYSA-N 306.362 2.554 0 40 DFAB c1ccc(Cc2noc(CN(C[C@H]3CCOC3)C3CC3)n2)cc1 44937926 BIQWSQOUBVLKNB-OAHLLOKOSA-N 313.401 2.661 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(O)nn1 44972327 RMUYNDPRSLOMMI-GFCCVEGCSA-N 301.346 2.527 0 40 DFAB COCCn1cc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cn1 44973022 CUEUSHJESICTPZ-ZIAGYGMSSA-N 306.410 2.574 0 40 DFAB COc1ccccc1[C@@H](C)N(C)CCn1c(C)csc1=O 48275668 SBIIOUGMEDNSES-CYBMUJFWSA-N 306.431 2.920 0 40 DFAB CN(C)C(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1 12754465 PNEDDDSXGAMAFE-UHFFFAOYSA-N 322.408 2.736 0 40 DFAB Cc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1ccc(Cl)cc1 12787240 NRPCJTBWASLHKN-CQSZACIVSA-N 319.792 2.743 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)Cc2csc(N3CCCC3=O)n2)C1 45205368 SSEXFOHANSRYIK-NEPJUHHUSA-N 321.446 2.507 0 40 DFAB Cc1nn(C)c(C)c1-c1nn2c(-c3cccs3)nnc2s1 36360556 ZMBWWKJTYDFZCV-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1nncs1 46027499 NXSAWYROJHAHIF-UHFFFAOYSA-N 303.265 2.574 0 40 DFAB CCCCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 12899657 GRGQLNMEBCZZSJ-UHFFFAOYSA-N 301.390 2.552 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 2660927 USPBGKYGZNYCRR-UHFFFAOYSA-N 309.774 2.996 0 40 DFAB CN(C)[C@@H](CNC(=O)c1cccs1)c1ccc2c(c1)OCO2 12196078 XTLVIXYFIORNCT-LBPRGKRZSA-N 318.398 2.510 0 40 DFAB Cc1sc2ncnc(OCC(=O)N3CCC(C)CC3)c2c1C 3599969 CHLGSXLAZHWOPJ-UHFFFAOYSA-N 319.430 2.945 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)CCNC(=O)c1ccco1 12972116 HNUOJEZUKWTIPA-CYBMUJFWSA-N 300.358 2.619 0 40 DFAB c1ccc2c(CCNCc3cnc(N4CCCC4)nc3)c[nH]c2c1 48680966 MBGTTXFSRPRTII-UHFFFAOYSA-N 321.428 2.890 0 40 DFAB COC(=O)c1ccccc1COc1ccccc1-c1nc[nH]n1 96009622 MAFBRNQWWZUNAJ-UHFFFAOYSA-N 309.325 2.837 0 40 DFAB COCCn1ccc(N[C@@H]2CSCCc3ccccc32)n1 97037781 JGFHWBFTBMLYED-OAHLLOKOSA-N 303.431 2.972 0 40 DFAB O=C(NCCCn1ccnc1)NC12CC3CC(CC(C3)C1)C2 4386776 JODLYBRKXRTSIK-UHFFFAOYSA-N 302.422 2.541 0 40 DFAB in-vitro Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCC1 13938466 RWYVGCLCVREUNH-UHFFFAOYSA-N 319.430 2.710 0 40 DFAB COc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1O 4501920 GFPUKSWDDUDBLJ-CYBMUJFWSA-N 304.371 2.933 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1c1ccccc1 67142043 GBMVGNFRKDSJGC-AWEZNQCLSA-N 304.390 2.875 0 40 DFAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccnc2Cl)o1 4935159 UAHIRKQIVFVHPE-VOTSOKGWSA-N 320.732 2.832 0 40 DFAB O=C1CCCC[C@@H]1OC(=O)[C@H]1COc2ccc(Cl)cc2C1 7542116 RKOHKHGMVSRPGI-ABAIWWIYSA-N 308.761 2.946 0 40 DFAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC(N)=O 7544700 SKHPFSAUIDMDEE-YFKPBYRVSA-N 315.807 2.625 0 40 DFAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 16173464 KTLQBZWCZNTNPK-UHFFFAOYSA-N 317.316 2.705 0 40 DFAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c2ccccc12 7880559 NVMUJJYJNXUSDP-GFCCVEGCSA-N 315.369 2.920 0 40 DFAB COC(=O)c1ccccc1NC(=O)CNc1ccc(F)cc1 7971668 WIIRZFXNXSJENE-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB Cc1cccc(C)c1OCCNC(=O)N1C[C@H](C)OC(C)(C)C1 84225585 HPZNGXWJQJEOQD-HNNXBMFYSA-N 320.433 2.891 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1cccnc1 69520912 JCRSPGDWWLHTBY-HNNXBMFYSA-N 305.422 2.961 0 40 DFAB Cc1cc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)[nH]1 91765222 ZKIMQJBRBNZIAD-WFASDCNBSA-N 320.339 2.858 0 40 DFAB Cn1cc(NC(=O)C[C@H]2CCCc3ccccc32)cc1C(N)=O 71888465 PSQVEHOEFSCPNP-CYBMUJFWSA-N 311.385 2.573 0 40 DFAB Cc1nc2n(n1)C[C@@H](Nc1ncnc3sc(C)c(C)c13)CC2 71874973 RCVRYALVAMLWHC-NSHDSACASA-N 314.418 2.635 0 40 DFAB O[C@@H](CNCc1cccc2c1OCCCO2)c1cccc(F)c1 71832867 PRWBJEQPOQLSAX-INIZCTEOSA-N 317.360 2.810 0 40 DFAB O=C(OCc1c(F)cccc1F)c1ccnc(-n2ccnc2)c1 97164192 FMIMNHFAWRXKNR-UHFFFAOYSA-N 315.279 2.903 0 40 DFAB O=C(/C=C/c1ccncc1)N(Cc1cccnc1)C[C@H]1CCCO1 71904013 UVNVYFOGJCNPAR-DUMMIQTOSA-N 323.396 2.698 0 40 DFAB C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9613651 BZBMRIFKMBBGOO-AAEUAGOBSA-N 307.825 2.686 0 40 DFAB CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccco3)C2)cc1 8774913 GLPBFEBODDVRDO-MRXNPFEDSA-N 311.341 2.936 0 40 DFAB Cc1c(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cnn1C 95463569 ZCTURFZUAQMTOD-CVEARBPZSA-N 307.344 2.627 0 40 DFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)o2)cc1F 95459447 CAGAXZJSCZLGQF-SNVBAGLBSA-N 313.350 2.775 0 40 DFAB CCS[C@H]1CCC[C@@H](NC(=O)Nc2cccn(C)c2=O)C1 84811964 LKMCWUIXDMQVOM-NEPJUHHUSA-N 309.435 2.571 0 40 DFAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)C1CC1 84821408 LIQRJURXUICAII-JKSUJKDBSA-N 301.386 2.564 0 40 DFAB C[C@H](NC[C@@H]1CCC[C@@H]1O)c1ccc(N2CCCC2=O)cc1 95968663 ZKMGESZZBHENLM-QRTARXTBSA-N 302.418 2.625 0 40 DFAB O=C(NCCc1cscn1)Nc1ccn(-c2ccccc2)n1 95971287 FKFUIGGOSULJGY-UHFFFAOYSA-N 313.386 2.693 0 40 DFAB C[C@@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)[C@H]1CCOC1 95991056 PGDUYXKRWROIEW-KOLCDFICSA-N 316.323 2.670 0 40 DFAB CCc1ccc(CC)c(NC(=O)NC2(CCO)CCOCC2)c1 89284677 FOBSSWIYWASNEV-UHFFFAOYSA-N 320.433 2.865 0 40 DFAB CC[C@@](C)(NC(=O)CCNC(=O)c1cccs1)C(F)(F)F 75148377 QVLFNZYDBREVKQ-GFCCVEGCSA-N 322.352 2.715 0 40 DFAB CC(C)OC(=O)N1CCC(Nc2nc(C3CC3)ns2)CC1 89887755 MUYZRQGJSCLUBF-UHFFFAOYSA-N 310.423 2.837 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2Cc2nc(C3CC3)no2)no1 75573280 MDUGILLICQWXIT-NSHDSACASA-N 303.366 2.791 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cn1 76068782 SPSAXYCRSDSPGO-ZDUSSCGKSA-N 324.388 2.971 0 40 DFAB CC(F)(F)c1ccc(C(=O)NCc2cccc(CO)n2)cc1 519424242 VQYSOZHQTYKINA-UHFFFAOYSA-N 306.312 2.616 0 40 DFAB CC(C)Oc1ccc(NS(=O)(=O)c2cn[nH]c2)c(Cl)c1 188603346 ZGZDATUSOSTHTL-UHFFFAOYSA-N 315.782 2.651 0 40 DFAB CCN1C[C@@H](CN(C)C(=O)C2CCCC2)Oc2ccccc21 39996871 CPGBETHJAIGAIO-OAHLLOKOSA-N 302.418 2.923 0 40 DFAB COc1ccc([C@H](CO)N(C)C[C@@H](O)c2cccc(F)c2)cc1 79091264 JQMOQVIVTBVXAD-ZWKOTPCHSA-N 319.376 2.533 0 40 DFAB CC(C)c1n[nH]c(CN2CCCc3c(C(=O)O)cccc32)n1 566684027 MZTHKAYOPBASMD-UHFFFAOYSA-N 300.362 2.579 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCOC[C@@H]1C1CCC1 563537833 PJVIVJJMPJUOFQ-MRXNPFEDSA-N 302.349 2.948 0 40 DFAB Cc1ccsc1CNC(=O)CN[C@H]1CC(C)(C)OC1(C)C 132658052 GIZYBYTWOVQJNR-ZDUSSCGKSA-N 310.463 2.608 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc3c(c1)OCO3)C2=O 226864208 JRFVYUACUCOLCB-APPDUMDISA-N 301.342 2.731 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC(n3ccnc3)CC2)c(C)c1 63990972 MITRRJXALKJDKB-UHFFFAOYSA-N 319.430 2.526 0 40 DFAB CC(C)n1c(Cl)nc2cc(C(=O)NCCCN(C)C)ccc21 225987879 XFMINFCGRLMABA-UHFFFAOYSA-N 322.840 2.952 0 40 DFAB O=C(NC[C@H]1CCNC[C@H]1C(F)(F)F)OCc1ccccc1 199714855 GSKKUDWXZVWAMK-CHWSQXEVSA-N 316.323 2.701 0 40 DFAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccs1 225601809 NKKIRXHKDWNJKJ-NSHDSACASA-N 323.439 2.593 0 40 DFAB C[C@H]1CN(C(=O)[C@H](C)n2cc(-c3ccccc3)cn2)C[C@@H](C)O1 227165511 GHVUJZUNFCRMKF-ZNMIVQPWSA-N 313.401 2.747 0 40 DFAB CN(C)c1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cn1 88360499 YOWYVPGUSBBAJS-ZDUSSCGKSA-N 314.393 2.630 0 40 DFAB O[C@@H](COCc1cccs1)Cn1ccnc1-c1ccncc1 96435810 HHUUPQHNOLFSKS-CQSZACIVSA-N 315.398 2.584 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1C 96433695 QFTTVIAPWHHHTR-HNNXBMFYSA-N 321.396 2.999 0 40 DFAB O=C(OCCC(F)(F)C(F)(F)Br)C(F)F 98210613 PNESEFCBBFKNFJ-UHFFFAOYSA-N 302.996 2.808 0 40 DFAB COC(=O)C1CCN(CCCN2CCC3(CCCC3)CC2)CC1 96497118 JVQDXXXLXYTZOA-UHFFFAOYSA-N 322.493 2.918 0 40 DFAB CC[C@H]1N(CCOCc2ccccc2)CCC[C@]12CCC(=O)N2 96100126 FWRJGTSJMSOAAN-MJGOQNOKSA-N 316.445 2.726 0 40 DFAB CCCc1nc(CN2CCc3ncnc(N(C)C)c3C2)cs1 97200442 FGLHOYGSIMIKLP-UHFFFAOYSA-N 317.462 2.510 0 40 DFAB Cc1cccc([C@@H](NC(=O)N2CCC[C@@H]2CO)C(F)(F)F)c1 97100154 VLJFPBMTRANWMD-CHWSQXEVSA-N 316.323 2.765 0 40 DFAB Cc1nc(NC(C)C)nc2c1CN(Cc1c(C)noc1C)CC2 96253905 QLYWWJQJUFUVPM-UHFFFAOYSA-N 315.421 2.768 0 40 DFAB CSC[C@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C 96413895 MPEJVRAUHJPQNU-AWEZNQCLSA-N 322.474 2.765 0 40 DFAB CCOc1c(Cl)cccc1NCC(=O)Nc1cc(C)nn1C 96453963 RSXHQWKRNNNFQC-UHFFFAOYSA-N 322.796 2.831 0 40 DFAB CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1c1ccn[nH]1 257239839 HQZPKAJXMAIBDO-OAHLLOKOSA-N 315.421 2.874 0 40 DFAB O=C(C1CCC1)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257280518 OLELTZZOSCMCQE-QGZVFWFLSA-N 314.429 2.731 0 40 DFAB COCC[C@@H](NC(=O)NC1Cc2ccccc2C1)c1ccco1 273939779 JZBIWEPBONONGT-MRXNPFEDSA-N 314.385 2.824 0 40 DFAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccn3)[C@H]2O)c1 585288724 IWFRUJSHMNOXQO-IPMKNSEASA-N 312.413 2.841 0 40 DFAB CC1(C)CC[C@H]2CN(C(=O)c3cccnc3O)CC[C@@]2(C)O1 585286499 SFLQHRMIJYRAGI-YVEFUNNKSA-N 304.390 2.597 0 40 DFAB CN(C)CC1CCN(C(=O)N[C@H]2c3ccccc3C[C@H]2F)CC1 585140450 FABQSGROHJPYLI-SJORKVTESA-N 319.424 2.605 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)s1 33118216 MRKYUWCPPQCTQQ-JTQLQIEISA-N 316.382 2.878 0 40 DFAB CO[C@@]1(C)C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C 73271312 GOTWOXMWJUPONF-CJNGLKHVSA-N 308.447 2.635 0 40 DFAB O=C(CC[C@@H]1CCCO1)N1CCN(c2cc(F)cc(F)c2)CC1 58324262 IUOUWYACTHQRJO-INIZCTEOSA-N 324.371 2.573 0 40 DFAB Cc1ccc(NC(=O)N2CCOC3(CCOCC3)C2)cc1C 90608865 JNZNBNHTXIARPN-UHFFFAOYSA-N 304.390 2.717 0 40 DFAB CNC(=O)c1ccc(NC(=O)N[C@@H]2C=CCCC2)c(Cl)c1 93097948 WGGVZJBXLQPQMT-LLVKDONJSA-N 307.781 2.930 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 583616067 JCVXUDGYWOYTCZ-FUHWJXTLSA-N 315.369 2.801 0 40 DFAB O=C(NCCCn1cncn1)c1cc(F)c(Cl)cc1Cl 41862718 NABJLOPXXHQLQJ-UHFFFAOYSA-N 317.151 2.544 0 40 DFAB CCOc1ccc(C(=O)n2nnc3ccccc32)cc1OCC 5466646 YNMNCGXBPBDMAR-UHFFFAOYSA-N 311.341 2.917 0 40 DFAB CCc1ccccc1N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 16025341 WHVJDBVRKCYBCQ-KRWDZBQOSA-N 322.408 2.918 0 40 DFAB CO[C@H]1CCCN(Cc2cncn2C)[C@H]1Cc1ccc(C)cc1 643913776 GQEKESYXNKFIFP-OALUTQOASA-N 313.445 2.951 0 40 DFAB Cc1cc(NC(=O)[C@@H](Nc2ccn(C)n2)c2ccccc2)no1 10755476 BOTXEEMXWGDNMG-HNNXBMFYSA-N 311.345 2.508 0 40 DFAB Cc1ccccc1N1CCN(c2nc3cccnc3n2C)CC1 1888881776 QBMRMQALHGMVDK-UHFFFAOYSA-N 307.401 2.603 0 40 DFAB CC(=O)c1ccc(N2CCN(c3nc(C)cc(C)n3)CC2)cc1 24053198 UFXODDHOWANXTG-UHFFFAOYSA-N 310.401 2.623 0 40 DFAB Cc1[nH]ccc(=O)c1OCC(=O)Nc1cccc2ccccc12 40266500 KRYSVCLIGGKXAQ-UHFFFAOYSA-N 308.337 2.854 0 40 DFAB OCc1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl 51092824 OHIQPYKRXFOJJH-OAHLLOKOSA-N 302.761 2.916 0 40 DFAB CCCOc1ccc(CNc2ncnc3[nH]cnc23)cc1OC 40512424 PMCSNJHSRLMELP-UHFFFAOYSA-N 313.361 2.762 0 40 DFAB C[C@H](OC(=O)c1ccccn1)C(=O)N1CCCc2ccccc21 20978765 CCNQVRUKTOFCPU-ZDUSSCGKSA-N 310.353 2.606 0 40 DFAB CC(C)c1n[nH]c(S[C@H](C)C(=O)NCc2ccccc2)n1 21262302 OAQFNOSKRUUDTQ-LLVKDONJSA-N 304.419 2.725 0 40 DFAB Cc1cc(C(=O)O)nn1-c1ccccc1C(=O)OC(C)(C)C 52507664 UHJWTJDFQWRTBH-UHFFFAOYSA-N 302.330 2.834 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1OC(F)F 102598735 ANFBLRNICVPSLR-DUBDDPSESA-N 319.307 2.990 0 40 DFAB C[C@H](OCCCNc1ncnc2c1cnn2C)c1ccccc1 22019725 OZIHTMPDMONTGE-ZDUSSCGKSA-N 311.389 2.943 0 40 DFAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1ccccc1Cl 522442 OTZOOHCCTVUVNE-CQSZACIVSA-N 316.744 2.868 0 40 DFAB O=C(CSc1nncs1)NC1(c2ccccc2)CCC1 53452377 YTWWHNGMHWJESH-UHFFFAOYSA-N 305.428 2.826 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccccc1C(C)=O)C1CCCC1 53459837 GPVMBVNDSQTSGD-MRXNPFEDSA-N 302.374 2.523 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 37435932 UMYUEDFVUBJZBT-VIFPVBQESA-N 307.346 2.977 0 40 DFAB Cc1ccc(CCNC(=O)c2cncc(Br)c2)cn1 78638321 GTWGUVBEJNGOCG-UHFFFAOYSA-N 320.190 2.520 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)no1 78710878 XWHOMBRCCWWYDI-GJZGRUSLSA-N 303.337 2.820 0 40 DFAB C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1F 78757751 CMEVCXDRLGKBNY-WCQYABFASA-N 311.376 2.761 0 40 DFAB CCOC(=O)CCSCC(=O)Nc1nc2ccccc2s1 4263065 IXZRFOCVXZWQNT-UHFFFAOYSA-N 324.427 2.921 0 40 DFAB Cc1cc(C)c([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C 4299290 YAXOYXIPUZHQDL-KGLIPLIRSA-N 323.389 2.623 0 40 DFAB Cc1csc(CCNC(=O)NCC2(N(C)C)CCCCC2)n1 47747027 IJYGWOHWNRNEIV-UHFFFAOYSA-N 324.494 2.558 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 106032387 GKABDMDDQMJHLC-VCQFHVMDSA-N 306.450 2.622 0 40 DFAB COc1ccc(NC(=S)NCCCN(C)C)cc1Cl 7353507 NFBYELFGDVFFTH-UHFFFAOYSA-N 301.843 2.587 0 40 DFAB COc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 1389160 HVWNMXVEBRWFII-UHFFFAOYSA-N 310.235 2.944 0 40 DFAB O=C(OC[C@H]1CCCO1)C(O)(c1ccccc1)c1ccccc1 72268459 PFVIDRDAINJFOA-QGZVFWFLSA-N 312.365 2.645 0 40 DFAB CCc1nc(COC(=O)c2ccc(NC(N)=O)cc2)cs1 25446815 DHWHESGYBRTJOU-UHFFFAOYSA-N 305.359 2.553 0 40 DFAB C[C@@H](NC(=O)[C@H]1CC(=O)OC12CCCCC2)c1ccncc1 57355692 GTXJLFKVYWYANR-TZMCWYRMSA-N 302.374 2.525 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2nnsc2Cl)n1 35163872 RJTFOOOAVGGQJU-UHFFFAOYSA-N 302.812 2.520 0 40 DFAB COCCCNC(=O)c1csc(-c2ccc(OC)cc2)n1 10031794 QWLKUAIOVUZVGK-UHFFFAOYSA-N 306.387 2.585 0 40 DFAB COc1ccc(-n2nnnc2/C=C\Nc2ccccc2OC)cc1 100209644 RFHMKHMUBUMXAT-QXMHVHEDSA-N 323.356 2.762 0 40 DFAB COc1c(CNCCc2c[nH]c3cc(F)ccc23)c(C)nn1C 58296391 XIEDFUSHEOGSHC-UHFFFAOYSA-N 316.380 2.690 0 40 DFAB CNC(=O)Cc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1 44914462 VEQMFONFBQYZBU-LLVKDONJSA-N 302.378 2.655 0 40 DFAB O=c1onc(-c2ccccn2)n1CCCc1nc2ccccc2o1 58363038 NJDPZOSJOBLFTE-UHFFFAOYSA-N 322.324 2.672 0 40 DFAB COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C)cc1C(=O)O 48229577 ACFMCOLSZVYDEF-BXUZGUMPSA-N 320.389 2.771 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCCc1cccs1 58401767 JGMATAKHOLKDIZ-UHFFFAOYSA-N 324.423 2.860 0 40 DFAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCc2ccccc21 58416000 AQCCSPVBGPWNLH-UHFFFAOYSA-N 304.390 2.879 0 40 DFAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccncc1 48278543 FFKRGZFOOUDEJD-CZUORRHYSA-N 323.396 2.850 0 40 DFAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccncc1 48278547 FFKRGZFOOUDEJD-CJNGLKHVSA-N 323.396 2.850 0 40 DFAB Cc1ccc(OCCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 72282800 XXOMWIUVLLZVLI-HNNXBMFYSA-N 313.401 2.893 0 40 DFAB COc1cccc(C(=O)NCCc2ccccc2F)c1OC 28328051 MYNUTYAGKLXNDK-UHFFFAOYSA-N 303.333 2.815 0 40 DFAB CC(C)CCNC(=O)c1ccccc1SCC(=O)N(C)C 12773438 BBAPPMYKILVONQ-UHFFFAOYSA-N 308.447 2.643 0 40 DFAB CN1CCC(N(CCO)Cc2csc3ccccc23)CC1 105928030 FFKIQNRBARXTRW-UHFFFAOYSA-N 304.459 2.790 0 40 DFAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)[C@H]1CCCO1 46732580 PSKXOVZPPAVGFH-DLBZAZTESA-N 319.401 2.890 0 40 DFAB CCCn1cc(NC(=O)c2noc3c2CCCCC3)ccc1=O 97102942 JDMJHTUBXRIGRR-UHFFFAOYSA-N 315.373 2.768 0 40 DFAB COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1cc(C)no1 48326810 YAMCYPXJCUUIKI-OLZOCXBDSA-N 317.389 2.978 0 40 DFAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 12923796 YFEIFKBPDUVWIG-INIZCTEOSA-N 321.373 2.588 0 40 DFAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1C 3621817 BZHFMBJMUITHGR-UHFFFAOYSA-N 311.381 2.819 0 40 DFAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccccc1Cl 13000952 OINUNJHCRMDCGG-UHFFFAOYSA-N 319.773 2.750 0 40 DFAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(C(=O)O)CC2)c1 13167125 OSNIYKNXBZBXRE-UHFFFAOYSA-N 319.401 2.820 0 40 DFAB COc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898798 IHLCMXRFRYAJFW-KRWDZBQOSA-N 313.401 2.869 0 40 DFAB biogenic,in-vitro CCS(=O)(=O)c1ccccc1C(=O)N1CCc2ccccc21 19678317 JWVSHKYVUXSPMD-UHFFFAOYSA-N 315.394 2.683 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1n[nH]c2ccccc12 5264666 PSVFUSSUDGSRKL-HNNXBMFYSA-N 324.384 2.723 0 40 DFAB CC(C)(C)c1ccc(OCCOC(=O)c2nccnc2N)cc1 14059824 ICUKVGMLYSPVDF-UHFFFAOYSA-N 315.373 2.592 0 40 DFAB O=C(Cc1ccc(Cl)cc1)Nc1ccnn1C[C@H]1CCOC1 65534601 MSOXEWNKUIICIC-CYBMUJFWSA-N 319.792 2.754 0 40 DFAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCC1 14108460 VFMYVEYFCOADGJ-HNNXBMFYSA-N 303.406 2.845 0 40 DFAB Cc1cccc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)n1 9422157 CQULTKGYKRIXER-UHFFFAOYSA-N 324.336 2.692 0 40 DFAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NC1CCCC1 5656076 CGGOWZODIMCLJW-VIFPVBQESA-N 310.781 2.526 0 40 DFAB O=C1c2ccccc2CCC[C@@H]1Sc1nnnn1C1CC1 67428958 DJPGZDWVBUXOEP-ZDUSSCGKSA-N 300.387 2.688 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)C1 81500680 DMFJLMJYUMWFQC-XJFOESAGSA-N 300.468 2.511 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)C3CC3)CC2)nc(C(C)C)n1 71879469 PQGJOMUCLVIQCC-UHFFFAOYSA-N 316.449 2.746 0 40 DFAB Cc1c(CC(=O)N2CCC[C@@H]2C(C)C)nnn1-c1ccccc1 71829962 ANPUIPKYUQVRSH-QGZVFWFLSA-N 312.417 2.765 0 40 DFAB Cc1cnc([C@@H](C)CNC(=O)NCCc2ccncc2C)s1 96502893 VTIJGKVEXZBMIB-LBPRGKRZSA-N 318.446 2.800 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69459653 KAXXRGXXPPYPGG-OAHLLOKOSA-N 307.401 2.827 0 40 DFAB COC[C@@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 71910727 ZWQADYIEWRCXQQ-QMTHXVAHSA-N 317.838 2.745 0 40 DFAB CCS(=O)(=O)CCSc1nc2cc(Cl)ccc2n1C 71910968 FGDMAVLFKQGVQU-UHFFFAOYSA-N 318.851 2.754 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sc(C)nc1C 69598953 FTCKHEPIPSOXQO-KGLIPLIRSA-N 307.463 2.849 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CCO1 95455594 HUWFJQBOTRZGOX-YPMHNXCESA-N 323.824 2.633 0 40 DFAB Cc1ncc(CN(C)C(=O)[C@H](C(C)C)N2CCCCC2)s1 69967119 UNCPWKQTCZUMLU-HNNXBMFYSA-N 309.479 2.920 0 40 DFAB Cc1cc(C(=O)Nc2ccc(C)c(O[C@H]3CCOC3)c2)no1 95408078 YHJUYJDYHRPBTK-ZDUSSCGKSA-N 302.330 2.711 0 40 DFAB O=C(OC1CCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 70738349 BLPBIVVCRZMTSQ-HNNXBMFYSA-N 301.386 2.563 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)on1 70860044 QMVNCNRNJNFZJN-UHFFFAOYSA-N 314.345 2.794 0 40 DFAB Cc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)o1 95473189 SADWLZZHBLHONK-LLVKDONJSA-N 317.345 2.553 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OC)cc1 88330480 WEEUFMRHRSDPGO-CYBMUJFWSA-N 315.377 2.506 0 40 DFAB COc1ccccc1-c1cccc(NS(=O)(=O)N(C)C)c1 95961506 BEOLDEHJRHBAPZ-UHFFFAOYSA-N 306.387 2.581 0 40 DFAB C[C@H]1CCC[C@@H](C)N(C(=O)NCCCOC2CCOCC2)C1 74543804 CTKPLLMVEMIPFZ-LSDHHAIUSA-N 312.454 2.792 0 40 DFAB CSCC(=O)O[C@@H](C)c1c(F)cccc1N1CCOCC1 75146080 FVDWVBBNNWGMJB-NSHDSACASA-N 313.394 2.630 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)Cc2c(C)noc2C)no1 76043363 VPEOJSKRJVAIFX-OTYXRUKQSA-N 318.377 2.525 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1ccn(-c2ccccc2)n1 32632933 XIHDROQGUFIACB-UHFFFAOYSA-N 321.336 2.896 0 40 DFAB COc1ccc(Cl)cc1NC(=O)NCCCn1cccn1 27928573 MMMHNWWOLDYUDE-UHFFFAOYSA-N 308.769 2.757 0 40 DFAB COc1cc(-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 394529 NRTOUGPMXLJETQ-UHFFFAOYSA-N 306.314 2.799 0 40 DFAB biogenic Cc1cc(C[C@@H]2COC[C@H]2NC[C@@H](C)c2ccccc2)on1 72395121 BBVZJKDYIWAGED-MZMPZRCHSA-N 300.402 2.934 0 40 DFAB COCCNC(=O)c1cc(Br)ccc1-n1cccc1 32071817 HBZUEKANCNIJET-UHFFFAOYSA-N 323.190 2.616 0 40 DFAB COCCn1ccc(NC(=O)NCCc2cc(C)cc(C)c2)n1 77697861 LMDTVLMKEFNBBJ-UHFFFAOYSA-N 316.405 2.511 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2)cc1Cl 72227889 JZUFLSSYXQOLRD-CABCVRRESA-N 302.761 2.764 0 40 DFAB CCCCCCNC(=O)C1=C(O)CN(c2ccccc2)C1=O 217437431 BCMRSHZFYWCORA-UHFFFAOYSA-N 302.374 2.542 0 40 DFAB Cc1cc(NC(=O)Cc2cccc(O)c2)ccc1C(=O)N(C)C 182494082 DSZRZUXFURBOBU-UHFFFAOYSA-N 312.369 2.584 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354595 IFWBVYAAQYAMNQ-AWEZNQCLSA-N 300.337 2.548 0 40 DFAB CCCC[C@@H](NC(N)=O)c1nc(-c2ccc(OC)cc2)no1 78774139 RNDZJCVTPWPZJS-GFCCVEGCSA-N 304.350 2.645 0 40 DFAB COC(=O)[C@@H]1CCCCN1Cc1nc(-c2cccc(C)c2)no1 30922062 OOSHXAJFDUYJJR-AWEZNQCLSA-N 315.373 2.573 0 40 DFAB C[C@@H](c1nnnn1C1CCCCC1)N(C)Cc1nccs1 189492403 QVYHLPPSWMZWQC-NSHDSACASA-N 306.439 2.828 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(OC(C)C)c1 224084605 UWGFQFGTYWXVOG-UHFFFAOYSA-N 310.375 2.879 0 40 DFAB COC(=O)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl 40411456 OIYUWIKGJPQCTG-HWKANZROSA-N 302.157 2.686 0 40 DFAB Cc1cccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 226390940 ANPKQPKERIPPSY-DFYGGBHCSA-N 322.408 2.726 0 40 DFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222897691 MNSCDBBMWVDKOB-GJZGRUSLSA-N 300.431 2.803 0 40 DFAB CC(C)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)c1ccccn1 81497259 FCMMWDRTLQIKDN-IJEWVQPXSA-N 305.422 2.629 0 40 DFAB Cc1ccc([C@H]2[C@@H]3C(O)=NC(=O)[C@@H]3ON2c2ccccc2)cc1 137708928 KZALQMWVVYVNMM-HRCADAONSA-N 308.337 2.969 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1cc(N2CCCC2)ncn1 225535839 AYGGXGLDQMOBJN-UHFFFAOYSA-N 302.765 2.983 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)CC(c2ccc(F)cc2)=NO1 226747381 HZNUBYXEAYMHBR-CQSZACIVSA-N 305.334 2.804 0 40 DFAB CCC(=O)c1cccc(S(=O)(=O)N(CC)c2ccncc2)c1 96483184 UPBMHLIENFYYFW-UHFFFAOYSA-N 318.398 2.890 0 40 DFAB CCc1cc(CNC(=O)Nc2cccnc2N2CCCC2)on1 96421370 UCLHUVQGWKUKCU-UHFFFAOYSA-N 315.377 2.554 0 40 DFAB Cc1noc([C@H](NCc2nc(-c3ccco3)no2)C(C)C)n1 96493164 AZMWCNBJWBFMIG-GFCCVEGCSA-N 303.322 2.508 0 40 DFAB c1ccc(CO[C@@H]2CN(Cc3ccsc3)[C@@H]3COC[C@H]23)nc1 96055889 BBVSYJQGCAHAJS-GVDBMIGSSA-N 316.426 2.559 0 40 DFAB Cc1ccc(CN2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)o1 96053683 QPNVSICFUXVFTP-WFASDCNBSA-N 302.399 2.744 0 40 DFAB CCc1noc(C2CCC(N[C@@H]3CCC[C@@]3(C)CO)CC2)n1 95996889 OHDMVFHUZJGYCW-GROLMSMHSA-N 307.438 2.799 0 40 DFAB CCOc1ccc([C@H](COC)NC(=O)c2scnc2C)cc1 252510058 ZAWXYJRFBZQKSP-AWEZNQCLSA-N 320.414 2.968 0 40 DFAB Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)OCO2 252509355 YLXIRVOPEUVAGQ-ZIAGYGMSSA-N 318.373 2.899 0 40 DFAB CCCc1nnsc1C(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257309864 UCSHBMJIVMENQA-LLVKDONJSA-N 319.434 2.542 0 40 DFAB CCOc1ccc(CN2CCC[C@H]2c2nc(C)c[nH]2)cc1CO 257269134 MOSKSQGWIBRPPB-INIZCTEOSA-N 315.417 2.946 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)n1 257201128 AGKPCETUZKQIDC-ZDUSSCGKSA-N 316.405 2.860 0 40 DFAB CCCn1nccc1CNCCc1ccc(OC)c(OC)c1 256050075 CNPBBELNOZNYJZ-UHFFFAOYSA-N 303.406 2.643 0 40 DFAB Cc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@H]2C)cc1 260746699 RFINGJBQAIUXSE-GFCCVEGCSA-N 302.399 2.717 0 40 DFAB Cc1ccc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 575420886 KQZFWJUADHDSAL-MRXNPFEDSA-N 319.426 2.777 0 40 DFAB CC(=O)N1CCC[C@@H](Cc2ccnc(-c3cnc(C)n3C)c2)C1 585260988 HOIXFMXECSUJSX-INIZCTEOSA-N 312.417 2.592 0 40 DFAB CC1(C)CCC2(CCN(C(=O)/C=C/c3cnc[nH]3)CC2)CO1 585292213 YZJLQLRWASCEND-ONEGZZNKSA-N 303.406 2.621 0 40 DFAB Cc1ccc(-c2cc(CN(CC(N)=O)CC(C)C)on2)cc1 29719707 UXUNELZCSKZTIT-UHFFFAOYSA-N 301.390 2.593 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@H](c2ccco2)N(C)C)s1 43697362 HROZCMWIFYDWPF-SNVBAGLBSA-N 323.422 2.679 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(Br)s1 40218098 IAXKSRRGOBBXBM-QMMMGPOBSA-N 314.208 2.526 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)[nH]n1 56132095 HDGAKCHJDLTURI-INIZCTEOSA-N 323.400 2.972 0 40 DFAB COc1ccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1F 76057747 TYRVKBBCDGEETQ-BBRMVZONSA-N 322.424 2.817 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97109358 XJKMFTCMGVLPDO-CQSZACIVSA-N 318.398 2.583 0 40 DFAB COc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 15014008 SGXCLBHNXCGVBZ-CYBMUJFWSA-N 312.369 2.554 0 40 DFAB Cc1cc(=O)cc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)[nH]1 19570271 NRMCJJRHVMFFMB-CQSZACIVSA-N 314.360 2.842 0 40 DFAB COC(=O)[C@H](N[C@H]1CCSC1)c1ccc(Cl)c(F)c1 154717117 SNFHGOVLZIFZEN-JOYOIKCWSA-N 303.786 2.788 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1C 44678 OQGAGMPXKFLMGU-CYBMUJFWSA-N 322.364 2.927 0 40 DFAB Cc1cnccc1OCC1CCN(C(=O)c2cccnc2)CC1 1889128344 JASJYZNGFLDSRI-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB O=C(O)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 6315998 BNVGMMGAVWOVOA-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncc(C)s3)n2)C1 2037836296 YUTRSPBRLKXEKE-GFCCVEGCSA-N 317.418 2.629 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)CCc3ccc[nH]3)C[C@H]21 1565544105 DEQKAMUOTSHRKZ-CJNGLKHVSA-N 324.428 2.659 0 40 DFAB O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccno2)o1 21001111 KEDAUKMZOGRYSS-UHFFFAOYSA-N 320.305 2.595 0 40 DFAB O=C(NCCOc1ccccc1)Nc1ccc2c(c1)OCO2 35597145 ZLZOUUXLCZGVBF-UHFFFAOYSA-N 300.314 2.616 0 40 DFAB O=C(CSc1ncccn1)OCc1cc(-c2ccco2)on1 38785885 JJLOXBAFFIUUQB-UHFFFAOYSA-N 317.326 2.560 0 40 DFAB COC(=O)c1ccc2nc(NC(=O)c3cc(C)no3)sc2c1 12422426 YZCBFGOXLZLRAH-UHFFFAOYSA-N 317.326 2.632 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2cccs2)C1 249061665 QFHLJXJUNZGVAX-STQMWFEESA-N 314.476 2.862 0 40 DFAB O=C1C[C@@H](N2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 20052326 UKEHKESLAWFLEM-GFCCVEGCSA-N 313.184 2.721 0 40 DFAB COc1cccc(N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 100942346 ILRHIQGARYHDPO-UONOGXRCSA-N 304.390 2.893 0 40 DFAB COC(=O)c1cnc(NC(=O)CCCc2ccccc2)s1 40548417 SGUFWUMAHLTYDH-UHFFFAOYSA-N 304.371 2.891 0 40 DFAB O=C(NCCCN1CCCCCC1=O)c1ccc(Cl)cc1 32732107 DZASPXLCAQXRDG-UHFFFAOYSA-N 308.809 2.863 0 40 DFAB CCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1C 22057193 RUHKJIHUVHZBBZ-UHFFFAOYSA-N 321.384 2.702 0 40 DFAB O=C(COC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 531557 NTPPJMNPEVBJLL-UHFFFAOYSA-N 311.124 2.823 0 40 DFAB COc1cc2c(cc1CNCc1c(C)noc1C)O[C@@H](C)C2 42208730 CDFUXVXOERDPSQ-JTQLQIEISA-N 302.374 2.913 0 40 DFAB O=Cc1cn(-c2ccccc2)nc1C1=C[C@H]2C=CC=C[C@@H]2OC1=O 804857 NDHJKZQRXWLWKI-DYVFJYSZSA-N 318.332 2.736 0 40 DFAB Cc1cccc2nc(CNC(=O)N3C[C@H]4CC=CC[C@H]4C3)cn12 78942316 JRFWPGSNYIUHKA-GASCZTMLSA-N 310.401 2.750 0 40 DFAB COc1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104751159 PBRUFIHULMVMHI-ZOBORPQBSA-N 309.431 2.798 0 40 DFAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2 4835325 YRBYZQARGXAZKV-SNVBAGLBSA-N 302.355 2.930 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2cc(C)ccc2C)c1=O 6679124 YAISGCWOUWPUBW-UHFFFAOYSA-N 314.410 2.910 0 40 DFAB CSCC(=O)O[C@H](C)c1c(F)cccc1N1CCOCC1 75146083 FVDWVBBNNWGMJB-LLVKDONJSA-N 313.394 2.630 0 40 DFAB CCONC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 24968260 QDIIUOKJNVLGNH-INIZCTEOSA-N 311.337 2.822 0 40 DFAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(F)c(Cl)c1 3222381 CGBUJXZAYMCXIN-UHFFFAOYSA-N 312.753 2.843 0 40 DFAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCCO1 55628955 PHHBYJSGWMPQLE-MFKMUULPSA-N 317.307 2.768 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)n1 106865134 ZYOFLZGKPLBRQS-IGQOVBAYSA-N 320.462 2.621 0 40 DFAB CC[C@@H](C)[C@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 57073390 GJXXRJYHINFXCU-KGLIPLIRSA-N 302.418 2.973 0 40 DFAB O=C(c1cnn2cccnc12)N1CCC(Cc2ccccc2)CC1 44007155 QYYWVELZELWOSB-UHFFFAOYSA-N 320.396 2.824 0 40 DFAB C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 84718174 YTSDLUBVJXQEBT-IIYDPXPESA-N 311.385 2.680 0 40 DFAB CCOc1ccccc1COC(=O)Cn1nnc2ccccc21 57646117 BNJMOZJABXOQOL-UHFFFAOYSA-N 311.341 2.573 0 40 DFAB CCCc1onc(C)c1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)OC 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Cc1cccc(NC(=O)[C@@H]2CCCN(CCc3ccccn3)C2)n1 58427531 VCOZIUVTCOAIKN-MRXNPFEDSA-N 324.428 2.678 0 40 DFAB FC(F)(F)COc1cccc(CNc2ncnc3[nH]cnc23)c1 48374910 GYIYMFRYVLOKTO-UHFFFAOYSA-N 323.278 2.906 0 40 DFAB Cc1ncsc1CN1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721133 VNMLUVPDQXIVAB-OFQRWUPVSA-N 308.447 2.610 0 40 DFAB Cc1nc(-c2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)co1 29954939 GUIXLIVAWHBHCI-UHFFFAOYSA-N 315.373 2.751 0 40 DFAB CCOC(=O)c1nccnc1C(=O)Nc1ccc(F)c(Cl)c1 22073375 ZRCRSAIMWCZMFV-UHFFFAOYSA-N 323.711 2.698 0 40 DFAB O=C(O)C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccccc1 13224864 KKHRBEVRQYAQQY-OAHLLOKOSA-N 317.316 2.537 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1C 95445695 IJBIGUTUKVAOSS-RISCZKNCSA-N 306.431 2.627 0 40 DFAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)cc1O 49544096 HPVFYULVQJEPIX-CQSZACIVSA-N 319.386 2.867 0 40 DFAB Cc1ccc2c(C)cc(S[C@H](C)C(=O)NC(N)=O)nc2c1 9117606 DUDJZDYWYDEDIN-SNVBAGLBSA-N 303.387 2.527 0 40 DFAB Cc1ccc(-n2ncc3c2ncn2nc([C@@H]4CCCO4)nc32)cc1 5243796 OFPXAOHOKVYQIK-AWEZNQCLSA-N 320.356 2.623 0 40 DFAB CC(C)CNC(=O)NC(=O)CSc1ccccc1Cl 6351894 HWLMQQRXJOKAJZ-UHFFFAOYSA-N 300.811 2.914 0 40 DFAB NC(=O)COc1ccc(-c2ccc(Br)cc2)cc1 6345904 CYAPLMVGPTUUHY-UHFFFAOYSA-N 306.159 2.980 0 40 DFAB COC(=O)c1c(C)cccc1NC(=O)Cc1cccc(OC)c1 14076848 BUCDRQBPXGTZEP-UHFFFAOYSA-N 313.353 2.971 0 40 DFAB CC(C)CCO[C@@H](C)C(=O)Nc1nnc(-c2ccccn2)s1 65551189 YXXBDZBJBVPFPD-NSHDSACASA-N 320.418 2.990 0 40 DFAB CC(C)(C)NC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 65562690 PJZISSZITJSKJN-UHFFFAOYSA-N 318.417 2.653 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1)C1CC1 65591765 GKKGFIXCMLXJRD-UHFFFAOYSA-N 312.417 2.640 0 40 DFAB O=C(COc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 5439727 NRHDYDNYDWWBOQ-UHFFFAOYSA-N 310.353 2.831 0 40 DFAB c1nc(Nc2ccc(N3CCOCC3)nc2)c2sccc2n1 14316910 XEWMOOQQASIXOM-UHFFFAOYSA-N 313.386 2.667 0 40 DFAB O=C(NCc1ccncc1)c1ccc(CN2CCCCC2)cc1 9322861 WDLNOMQRRXFYLX-UHFFFAOYSA-N 309.413 2.998 0 40 DFAB C[C@@H](NCCc1nnc2n1CCC2)c1cccc(OC(F)F)c1 95419908 HWKINAUKQTUZCU-LLVKDONJSA-N 322.359 2.719 0 40 DFAB O=C(Cc1ccccc1O)N[C@H](Cn1cccn1)c1ccccc1 95401033 WYXZKCZNGBVSEB-QGZVFWFLSA-N 321.380 2.689 0 40 DFAB O=C1N[C@H](c2cnn(Cc3ccccc3)c2)Nc2ccccc21 9338958 JIEPCIWMZLOYHI-QGZVFWFLSA-N 304.353 2.786 0 40 DFAB Cc1ccc2nc(CN(C)CCOc3ccccc3)cc(=O)n2c1 7419130 WIXMCADFPXAUBA-UHFFFAOYSA-N 323.396 2.514 0 40 DFAB CCOc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 7639270 DAPROOFHWCKWPB-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB CNC(=O)c1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 7964637 YEUYDZDOEYZZBO-UHFFFAOYSA-N 321.380 2.948 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C1 8246483 JFLABDBFTABURG-ZIAGYGMSSA-N 318.417 2.636 0 40 DFAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccnc1 70013073 POLIBBPYXFQQTE-UHFFFAOYSA-N 314.345 2.915 0 40 DFAB Cc1ccc(-c2nc(CN3CCc4cncnc4C3)co2)cc1 69493412 QMHZJJWDJINMLR-UHFFFAOYSA-N 306.369 2.998 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC[C@@H](n2cccn2)C1 69436676 PPCDUIGRWKMNQU-QGZVFWFLSA-N 320.396 2.838 0 40 DFAB O=C(CC1CCCCC1)N1CCN(CCc2ccncc2)CC1 69508994 OZRMLFQKKUFOKG-UHFFFAOYSA-N 315.461 2.739 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1 69665656 MZYZDSWCGORJHD-CQSZACIVSA-N 321.377 2.898 0 40 DFAB CCC(C)(C)NC(=O)[C@@H](C)Sc1nc(-c2ccccn2)n[nH]1 71910021 PZHWEBMDAVPAJN-SNVBAGLBSA-N 319.434 2.652 0 40 DFAB CCCc1noc(CN2CCC[C@@H]2c2nncn2CC(C)C)n1 71915953 RZVGBEBXUKMQKP-CYBMUJFWSA-N 318.425 2.607 0 40 DFAB COc1ccc(F)cc1NC(=O)N(CCO)Cc1ccccc1 92120671 IKKDVNQDAWGQCH-UHFFFAOYSA-N 318.348 2.861 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 8816081 FVNHEWGDTGNSIF-ZDUSSCGKSA-N 316.401 2.815 0 40 DFAB C[C@H]1CNCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595818 YCENPBIBAVEQEC-QPUJVOFHSA-N 304.287 2.572 0 40 DFAB O=C(Cc1ccccc1F)N[C@H](C(=O)O)c1ccc(F)c(F)c1 97036662 IWXIYQMIYPTGFW-HNNXBMFYSA-N 323.270 2.589 0 40 DFAB O=C(NC[C@@H]1CCOCO1)c1ccc(CCC(F)(F)F)cc1 97022224 PBJVRWAWXBAHPK-ZDUSSCGKSA-N 317.307 2.674 0 40 DFAB CCOc1cc2nccc(N3CCC[C@@H]3CO)c2cc1OCC 97009731 GHESFDIOVVYUMS-CYBMUJFWSA-N 316.401 2.993 0 40 DFAB Cc1cnn(-c2cccc(N(C)Cc3ccc4c(c3)OCO4)n2)c1 84265369 PABPEQGGRNKYMF-UHFFFAOYSA-N 322.368 2.941 0 40 DFAB Cc1nc(CCNCc2cn(C)nc2-c2ccncc2)cs1 97159860 RIUCDJJYWBIXIQ-UHFFFAOYSA-N 313.430 2.579 0 40 DFAB O=C(NCc1ccco1)N[C@H]1CCO[C@H](c2ccccc2)C1 97142088 CPBSJTJPYLPYCQ-HOCLYGCPSA-N 300.358 2.999 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)Cc1cc(C)[nH]n1 89267771 HSDDTVSGNCYZPT-UHFFFAOYSA-N 321.808 2.672 0 40 DFAB CCOC(=O)c1c(I)cnn1[C@H](C)CC 408716883 SEQWZQRMDKKKOV-SSDOTTSWSA-N 322.146 2.635 0 40 DFAB COC(=O)c1cc(NCC(=O)N[C@H]2CCCC[C@H]2C)ccc1F 36394232 VDZVKQGFLWJSLR-ABAIWWIYSA-N 322.380 2.719 0 40 DFAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1nc(-c2ccccc2)no1 530179551 LPKWJJLSRBAVQW-DABQJJPHSA-N 315.373 2.810 0 40 DFAB Cc1nc(-c2ccc(F)cc2)cc(N2CCC[C@@H](C(=O)O)C2)n1 70458551 LENVKBXACABZOA-CYBMUJFWSA-N 315.348 2.892 0 40 DFAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cncn2C)n1 72355630 DJNQDAOCSNEFIB-KRWDZBQOSA-N 322.416 2.646 0 40 DFAB c1ccc(-c2nc(-c3cnccn3)no2)c(CC2CCNCC2)c1 567093149 KZAVCOIAHCIIPN-UHFFFAOYSA-N 321.384 2.736 0 40 DFAB CN(C)c1nccc(CNC(=O)c2ccc(C(C)(C)C)cc2)n1 224235018 KQEVTWDTSYETLF-UHFFFAOYSA-N 312.417 2.770 0 40 DFAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC 222776109 QRPDTGPXIWYUCE-VIFPVBQESA-N 317.216 2.867 0 40 DFAB COc1ccccc1[C@@H]1CCCN1C(=O)NC1CCOCC1 69777489 FDAPUBMXZSUYQW-HNNXBMFYSA-N 304.390 2.721 0 40 DFAB Cn1cccc1[C@@H]1COCCN1Cc1noc(-c2ccccc2)n1 131806597 GELHOUWUJVNVQL-INIZCTEOSA-N 324.384 2.649 0 40 DFAB Cc1cnccc1OC1CCN(C(=O)c2cncc(F)c2)CC1 332099289 DKIJFGYUPLYANN-UHFFFAOYSA-N 315.348 2.608 0 40 DFAB CSC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96414657 JCUKIVSRZUCMLC-UMVBOHGHSA-N 313.850 2.674 0 40 DFAB FC(F)(F)c1cc(N2CCNCC2)nc(-c2ccccc2)n1 96026325 HCXWWKUHDNPEGW-UHFFFAOYSA-N 308.307 2.572 0 40 DFAB O=C([C@H]1CCc2cccc(O)c21)N1CCC(c2cc[nH]n2)CC1 583579480 QVTOLARPXXQLPD-AWEZNQCLSA-N 311.385 2.551 0 40 DFAB Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1 96436799 KOBPSNZNXLDNEJ-UHFFFAOYSA-N 304.737 2.537 0 40 DFAB COC(=O)N1CCC(N[C@@H](C)CCc2ccccc2F)CC1 97228292 AXXBSOADFLPWTG-ZDUSSCGKSA-N 308.397 2.967 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)C1 96435883 NTAGXBDHPAQARO-HUUCEWRRSA-N 318.417 2.996 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)CC(=O)O2 95480277 DVQLCDIXOJKIDR-MRVPVSSYSA-N 307.708 2.917 0 40 DFAB c1coc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccncc2)c1 96041779 OJQBRHPZJOZFIJ-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB c1ccc(OC[C@@]23CCCO[C@H]2CCN(CC2CC2)C3)nc1 96057085 DBSSLVAYWJDCEV-WMZOPIPTSA-N 302.418 2.742 0 40 DFAB CCOC[C@H]1CC2(CCN(C(=O)Cc3cccs3)CC2)CO1 96105891 MEXJRPJPTHXNDU-CQSZACIVSA-N 323.458 2.725 0 40 DFAB CSc1ccc([C@@H](O)CNC(=O)c2cc(C3CC3)on2)cc1 96103151 HABKZPUGTSGGAU-AWEZNQCLSA-N 318.398 2.737 0 40 DFAB CSc1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 96531487 HXHQAMLZVQGSJP-UHFFFAOYSA-N 305.378 2.602 0 40 DFAB COc1ccccc1[C@@H]1CN(Cc2scnc2C)CCN1C 257269782 MRJCWOTVCZIGLO-HNNXBMFYSA-N 317.458 2.949 0 40 DFAB CCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2N1 257339355 ZBIPHTZCFRIKQW-NXKACYDGSA-N 314.385 2.538 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 250484872 YGTMCRFFSFWHOX-MJVIPROJSA-N 304.415 2.948 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)CCCc2ccncc2)n1 257307218 SXRSFKPCSKNQBF-QGZVFWFLSA-N 310.401 2.866 0 40 DFAB CCc1cc(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)on1 257237784 HIELAXDDDRBDRS-OAHLLOKOSA-N 322.368 2.831 0 40 DFAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccccn3)cc2)C1 96122419 LBTFGHNTZPFVHQ-INIZCTEOSA-N 311.385 2.949 0 40 DFAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1Cc1cncs1 585099942 ASVIYRNKZGABFC-KRWDZBQOSA-N 319.474 2.900 0 40 DFAB O=C(C[C@H]1CCc2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 675946807 RVMHCSYDFSUCDN-SJLPKXTDSA-N 323.392 2.919 0 40 DFAB Cc1cncnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1776008258 AKCWZUMYKOPGTE-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB CCC(C)(C)NC(=O)c1ccc(NCc2nc(C)no2)cc1 55879173 LZWOTGFKTKTGIA-UHFFFAOYSA-N 302.378 2.909 0 40 DFAB Cc1ccc(S(=O)(=O)NCc2nccn2CC(C)C)cc1C 95986177 NDFZBCCGVSHCDD-UHFFFAOYSA-N 321.446 2.634 0 40 DFAB CN(C)C(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1 1531876576 RSIUDOLJTYITNV-UHFFFAOYSA-N 301.434 2.797 0 40 DFAB NC(=O)[C]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1 1560405185 GOAVXLONXVGTEL-MRXNPFEDSA-N 313.352 2.846 0 40 DFAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](O)[C@@H]2C)OCO4)cc1 5759189 LNMMITRHKFYKNY-YZOQQBSESA-N 314.337 2.903 0 40 DFAB Sc1nnc(-c2cnccn2)n1-c1ccc2ncccc2c1 5927248 NFISNIJBFOQJBQ-UHFFFAOYSA-N 306.354 2.561 0 40 DFAB CCc1ccc2[nH]c(=O)c(CNCCCN(CC)CC)cc2c1 12706434 YLLPBIMBIVIANS-UHFFFAOYSA-N 315.461 2.912 0 40 DFAB C[C@H]1C[C@@H](CNC(=O)C(F)(F)Cl)CN1Cc1ccccc1 153125183 CTUXDVLAONTJCP-AAEUAGOBSA-N 316.779 2.845 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 2726342 MCGSFIISCONPPK-UHFFFAOYSA-N 302.359 2.626 0 40 DFAB CC(C)c1nc2ccccc2n1C1CN(CCn2cccn2)C1 1888903886 OWSGATXGIDKAEH-UHFFFAOYSA-N 309.417 2.913 0 40 DFAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(F)cc2)c1 23143507 AXUSRJAVYQSPQB-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB CN(Cc1ccccc1N1CCOCC1)C(=O)NC1CCCC1 30994005 UFPSFJIEUQNZPE-UHFFFAOYSA-N 317.433 2.607 0 40 DFAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 100383666 INJXUUWVZPYPQM-AGCBMJJTSA-N 324.384 2.720 0 40 DFAB COCCOCC(=O)Nc1cccc(-c2csc(C)n2)c1 40479897 GERIFKPHGBGGTJ-UHFFFAOYSA-N 306.387 2.720 0 40 DFAB CCOC(=O)C1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 40526083 GIXVGUPWXGCQES-UHFFFAOYSA-N 308.353 2.941 0 40 DFAB CC(C)C[C@@H](CO)NC(=O)c1ccc(Br)s1 40780316 UHZZKZJOIKGUQS-QMMMGPOBSA-N 306.225 2.647 0 40 DFAB CN1N=C(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCC1=O 32196316 BZQSYQATBHMEKA-UHFFFAOYSA-N 319.364 2.805 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccnc1 20898661 FNTOOQOUBPVUQT-UHFFFAOYSA-N 320.396 2.743 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OC(F)F)cc1)[C@H]1C=C[C@H]2C1 102183676 JIEVJBJYYTTWPH-VDUILEQBSA-N 305.280 2.600 0 40 DFAB Cn1ncc2c(N[C@@H](c3ccccc3)c3ccccn3)ncnc21 22000461 IYJSEFBLZSNCMX-INIZCTEOSA-N 316.368 2.960 0 40 DFAB O=S(=O)(NCc1ccco1)c1ccc(Br)s1 533240 UDCJJUUXLSPRFR-UHFFFAOYSA-N 322.205 2.582 0 40 DFAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2cc(Cl)c[nH]2)cc1 22159894 QCJLILFCIIHEJF-LBPRGKRZSA-N 306.749 2.922 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)c3cccs3)n2)c[nH]1 22831806 IRINFAZWENTWTF-UHFFFAOYSA-N 318.383 2.551 0 40 DFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cccs1 53990282 ZTSIEAZKNSDVOF-UHFFFAOYSA-N 301.415 2.538 0 40 DFAB Cc1cc(C(=O)O)cc(N)c1-c1c(C)cc(C(=O)O)cc1N 1857794316 CCDHALRZAVADNC-UHFFFAOYSA-N 300.314 2.531 0 40 DFAB CCn1ncc(-c2noc3nc(C)cc(C(=O)OC)c23)c1C 12397206 ANEHKTQSTGNLLQ-UHFFFAOYSA-N 300.318 2.510 0 40 DFAB CC1(C)C[C@H](CCC(=O)NC(=S)Nc2ccccc2)C(=O)O1 209058 JWAVGJINPYMMTJ-NSHDSACASA-N 320.414 2.622 0 40 DFAB COc1cc(/C=C2\CC(=O)N(c3ccccc3)C2=O)ccc1O 71282161 WTNYVSLEENBGRN-UKTHLTGXSA-N 309.321 2.748 0 40 DFAB COc1ccccc1-c1ccnc2nc(-c3cccnc3)nn12 71284671 AGVTWWWZFUUECJ-UHFFFAOYSA-N 303.325 2.862 0 40 DFAB Cc1nc(C)c(CCNC(=O)N[C@@H](C)c2ccncc2)s1 78714660 ZGQQFGOKAYWAER-JTQLQIEISA-N 304.419 2.758 0 40 DFAB CN(CCNC(=O)c1scnc1Cl)Cc1ccccc1 54265259 KOGRVPLHTZFPDD-UHFFFAOYSA-N 309.822 2.658 0 40 DFAB CC(C)[C@](O)(C(=O)OCC1=CN2CCC1CC2)c1ccccc1 2009071 HUXWLUVULBAHNX-LJQANCHMSA-N 315.413 2.683 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 2641529 YEUCWDNOSUWAHI-UHFFFAOYSA-N 313.382 2.982 0 40 DFAB COc1ccccc1[C@H]1C[C@@H](c2cccnc2)Nc2ncnn21 2919227 FPDIORODUOBYBN-LSDHHAIUSA-N 307.357 2.828 0 40 DFAB CCc1cccc(C)c1NC(=O)COc1ccccc1C(N)=O 3532717 KLDCILGZHWLLLH-UHFFFAOYSA-N 312.369 2.674 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 3662215 BVASGNNZRFGAAE-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB CC(C)[C@@H](NC(=O)CN1CCCCCC1=O)c1cccs1 24318130 IEFSHOAPWUOQFW-MRXNPFEDSA-N 308.447 2.964 0 40 DFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccsc1 24499485 GNVPOBDCGVAEMJ-UHFFFAOYSA-N 316.426 2.857 0 40 DFAB CCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccncc3)ccc21 57280438 MUESLFPPONLCTB-UHFFFAOYSA-N 309.369 2.978 0 40 DFAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCSCC1 84614834 XPBLMXULMFLMPD-UHFFFAOYSA-N 316.386 2.850 0 40 DFAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(N2CCCC2)CC1 106750042 HUACXEICUSIJIJ-OFQRWUPVSA-N 307.507 2.610 0 40 DFAB Cc1c(NCC(=O)N(C)C)cccc1NC(=O)c1ccccc1 55884384 IKCWHANVAGQJKC-UHFFFAOYSA-N 311.385 2.747 0 40 DFAB O=C(NCc1ccc(N2CCCCC2)nc1)OCC(F)(F)F 56323714 LVWJNSHKIKVWOQ-UHFFFAOYSA-N 317.311 2.860 0 40 DFAB Cc1cc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)no1 56356297 WUUSPMPDVABIDY-GFCCVEGCSA-N 300.362 2.728 0 40 DFAB CN(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 1710989 BGUILKOLBPOILU-GOSISDBHSA-N 305.418 2.559 0 40 DFAB Cc1cccc(OCCNC(=O)CCc2nc3ccccc3[nH]2)c1 26904614 JALBQSZLINKGHM-UHFFFAOYSA-N 323.396 2.999 0 40 DFAB CCCCCCNC(=O)CCc1c(C)nc2cc(O)nn2c1C 58155154 OWBGKYPOKNCENX-UHFFFAOYSA-N 318.421 2.681 0 40 DFAB Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(C)c(C)c2)c1 57438529 GKQZKSIGTPLMLC-QGZVFWFLSA-N 313.397 2.782 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)C(F)(F)Br)c1 58294536 DSYJTRYMZTZESA-UHFFFAOYSA-N 321.121 2.961 0 40 DFAB Cn1cc(CNC(=O)NCC(C)(C)c2cccc(Cl)c2)cn1 58213668 NGOOQBRVQBPQFL-UHFFFAOYSA-N 320.824 2.851 0 40 DFAB C[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2o1 12797320 ZTINHWCKNBGVMJ-MCIONIFRSA-N 316.401 2.719 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CSC(=O)OC(C)(C)C)C(=O)O 59562230 QMLRRONGQFDKAL-QMMMGPOBSA-N 321.395 2.633 0 40 DFAB COC(=O)c1cc(CC(=O)c2ccc(O)c(C)c2O)c(C)o1 26571676 NGBNMTODRQJYFO-UHFFFAOYSA-N 304.298 2.520 0 40 DFAB COc1ccc(N(C)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cn1 58403530 XFFRAIOPGFSXTC-GJZGRUSLSA-N 300.333 2.996 0 40 DFAB O=c1cc(N2CC=C(c3ccccc3)CC2)nc2ccccn12 10973568 QTXXULGECJICBV-UHFFFAOYSA-N 303.365 2.988 0 40 DFAB CCOc1ncccc1NC(=O)CN1CCc2sccc2C1 58804823 DIZKWIJFCPBVEX-UHFFFAOYSA-N 317.414 2.539 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N1CCc2sccc2C1 12740636 TYJGBCKQLFFXLX-UHFFFAOYSA-N 311.403 2.775 0 40 DFAB COc1ccc2c(c1)c1ncn(Cc3ccco3)c(=O)c1n2C 2438300 JMFUQJLROULNKY-UHFFFAOYSA-N 309.325 2.538 0 40 DFAB CCn1nc(C)cc1NC(=O)CCn1nc(C)c2ccccc21 57279990 YUPUVCMEDAREML-UHFFFAOYSA-N 311.389 2.898 0 40 DFAB CCOc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1OC 48383403 CUBSMEQVCFRFMS-QWHCGFSZSA-N 319.357 2.699 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(C2CC2)n1-c1ccccc1 2623991 VUZWPZRSMNNWLX-GFCCVEGCSA-N 301.371 2.552 0 40 DFAB O=C(N[C@H](CCO)c1ccccc1)c1ccn(C2CCCC2)n1 95445588 MTZVFDDFFUJJGM-MRXNPFEDSA-N 313.401 2.852 0 40 DFAB Cc1sc2c(c1C)CN(CCO)CN2C(=O)c1ccccc1 20193333 CEUJHTAIIWTGTN-UHFFFAOYSA-N 316.426 2.777 0 40 DFAB Cc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)cs1 5151782 LYOLXBJTZOMHAK-UHFFFAOYSA-N 302.808 2.583 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(C)c2)no1 13984387 NHUBQXWOEXSMEI-LBPRGKRZSA-N 302.330 2.784 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 65667933 ZFQACPOFZYKIED-UHFFFAOYSA-N 319.382 2.827 0 40 DFAB O=C(/C=C/c1ccc(Cl)s1)NCc1nnc2ccccn12 14499687 MMVHIJHDKULNCR-FNORWQNLSA-N 318.789 2.774 0 40 DFAB Cc1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 6981398 NEDLGNXZIKYZAA-UHFFFAOYSA-N 307.346 2.790 0 40 DFAB CC1CCC(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCCN2C)CC1 72304906 KQQOOWWYOKGORK-FPQWYMTMSA-N 323.525 2.876 0 40 DFAB CCN(C)c1ccccc1NC(=O)N(C)CCCn1ccnc1 95426828 AFMMBGZBTMKROI-UHFFFAOYSA-N 315.421 2.893 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2NC1=O 7118891 YBRKQNVFVOPZND-SECBINFHSA-N 322.324 2.535 0 40 DFAB CN(C)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 96410143 DLCUPKFNBZPFJC-BQYQJAHWSA-N 309.413 2.801 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)NCCc2cnn(C)c2)c1 96404748 UWLYUFKAZSYOAH-AWEZNQCLSA-N 300.406 2.640 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1C1CC1 7617254 JCTVQKODQJSZRD-UHFFFAOYSA-N 324.356 2.930 0 40 DFAB COc1ncccc1CNC(=O)c1ncoc1-c1cccs1 71886242 NUIMNMGJNFESSH-UHFFFAOYSA-N 315.354 2.737 0 40 DFAB C[C@@H](NCc1ccc(CN(C)C)c(F)c1)C1CCN(C)CC1 90920006 NDDCGECWZWRTEK-CQSZACIVSA-N 307.457 2.707 0 40 DFAB O=C(CCc1ccccn1)N1CCC([C@@H](O)c2ccccc2)CC1 71842089 SIYJGNGNTQGUIS-FQEVSTJZSA-N 324.424 2.986 0 40 DFAB CN(Cc1nc2ccccc2n1C)C(=O)/C=C/c1cccnc1 71896771 TVUDYGXILZEPMJ-MDZDMXLPSA-N 306.369 2.640 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccnc1 71893070 LTOVEYYOOJRMKT-YJBOKZPZSA-N 309.413 2.923 0 40 DFAB CCCn1nc(C(=O)N2CC[C@H](C)CC[C@H]2C(C)C)ccc1=O 71910116 HCTDNLAKDSPNCS-ZBFHGGJFSA-N 319.449 2.940 0 40 DFAB Cc1cnn([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)c1 69418261 KFGLZUOIOQDCMG-QGZVFWFLSA-N 323.396 2.831 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F 69418162 UOMANGSYBUFILA-AWEZNQCLSA-N 320.408 2.759 0 40 DFAB C[C@@H]1C[C@@H](N(C)CCc2ccc(Br)cc2)C(=O)O1 69584662 PHYXMEXNLYXCHT-ZWNOBZJWSA-N 312.207 2.627 0 40 DFAB Cc1cc(NC(=O)CCN2CCc3[nH]c4ccccc4c3C2)no1 69569463 CAYQFWJZMNGZAL-UHFFFAOYSA-N 324.384 2.851 0 40 DFAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1F 17358294 CCAMCYZWTVMVOZ-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2cc(C)cc(C)c2)c1 9614089 AFODILNTQYCTBT-UHFFFAOYSA-N 314.385 2.985 0 40 DFAB COc1ccc(S[C@H](C)C(=O)N2CC[C@H](CN(C)C)C2)cc1 69813435 VDPFHULOLXHACV-ZIAGYGMSSA-N 322.474 2.586 0 40 DFAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3cnn(C)c3)c2c1 8782528 JSHSWMUJTVJGPO-GQCTYLIASA-N 308.385 2.582 0 40 DFAB COc1ncncc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1 95416177 YJYCJOLOJPOTAU-JTQLQIEISA-N 302.334 2.836 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cn1 72283025 MZEHQRDQUCKNQG-CQSZACIVSA-N 314.389 2.612 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)COc2cc(C)on2)n1 72273751 SSVOAXIXWXNWJP-GFCCVEGCSA-N 321.402 2.881 0 40 DFAB C[C@@H]1SCCN(C(=O)NC2CC(C)(C)NC(C)(C)C2)[C@@H]1C 95960272 SYSQGTDVYRLBNT-NEPJUHHUSA-N 313.511 2.831 0 40 DFAB Cc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c(=O)[nH]1 75119012 PKNAEQFYWUTPTO-UHFFFAOYSA-N 312.344 2.752 0 40 DFAB O=C(Nc1cccc(-c2cnco2)c1)c1cnc2nc[nH]c2c1 89780565 ZKJRYKRXVCFCLS-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)N[C@@H]1COc2ccccc21 76086491 ILWIFZDEEYPMHA-XJKSGUPXSA-N 313.401 2.779 0 40 DFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1OC)C3 20796398 ZXLSTCAQRMLIOR-NSHDSACASA-N 322.368 2.608 0 40 DFAB Cn1cc(C(=O)N2CC[C@H](Cc3cnc4ccccc4c3)C2)cn1 72368571 WUBGPHPQDZZIPH-CQSZACIVSA-N 320.396 2.673 0 40 DFAB COc1ccc(CN2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1 72393824 DJVMBFUUQGVVQW-AWEZNQCLSA-N 323.400 2.741 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375122 XPOIZYJHFUUGIR-OAHLLOKOSA-N 311.389 2.915 0 40 DFAB COc1cccc([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2)c1 72239154 ADUBXKBLHWPIPS-GFCCVEGCSA-N 323.418 2.512 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)C1 225465521 CQNZUNNJRFIZRY-BZUAXINKSA-N 306.475 2.689 0 40 DFAB CCc1noc(C)c1CN(C)Cc1ccc(OCC(=O)O)cc1 573619252 VLSNOORBWRFYSM-UHFFFAOYSA-N 318.373 2.641 0 40 DFAB CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccc(-c2nnc(C)o2)c1 81462614 GSDMIEDWBVQZSK-DIFFPNOSSA-N 317.389 2.572 0 40 DFAB CCOc1ccc(-c2cnc(CCC(=O)NC3CC3)o2)cc1 224855194 VTEVNYGXDSTGNQ-UHFFFAOYSA-N 300.358 2.952 0 40 DFAB COCc1nc2c(s1)CN(C(=O)c1ccccc1C)CC2 41194426 QBDPNUJDPVDHHU-UHFFFAOYSA-N 302.399 2.796 0 40 DFAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(=O)O)o1 195551723 JBQDGORPROTRLX-MRVPVSSYSA-N 309.268 2.617 0 40 DFAB CC(C)C(=O)N1CC[C@@]12CCCN(C(=O)c1ccccc1)C2 96239468 ZJDYJAOWBITFSH-GOSISDBHSA-N 300.402 2.550 0 40 DFAB CN1C[C@@H](C(=O)NCc2ccccc2F)[C@H](c2ccccc2)C1 230143092 OSTXRHISGYOSDD-DLBZAZTESA-N 312.388 2.787 0 40 DFAB O=C(Nc1ccsc1)[C@@H]1CN(Cc2ccccc2)CCO1 96420844 VQEFULVZZVZQGF-HNNXBMFYSA-N 302.399 2.588 0 40 DFAB COc1ccccc1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042089 NJTGMCLNNPRBMQ-YTQUADARSA-N 317.429 2.854 0 40 DFAB CCc1ccc(OCC(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 96043622 YUIULDJTTUOCRB-JLJPHGGASA-N 303.402 2.654 0 40 DFAB COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccccn3)n2)c1 96432743 AOWVYTYDIQQRKP-LLVKDONJSA-N 324.340 2.631 0 40 DFAB Cc1nc(C)c(C(=O)Nc2cccc(-c3ncn(C)n3)c2)s1 97370822 AKAJWQCXWBMXFG-UHFFFAOYSA-N 313.386 2.808 0 40 DFAB CN(C(=O)c1cn(Cc2cccs2)nn1)C(C1CC1)C1CC1 96430789 CMLUBJCFSHVHCA-UHFFFAOYSA-N 316.430 2.649 0 40 DFAB c1ccc(N[C@H]2COC3(CCN(c4cccnc4)CC3)C2)nc1 96074248 SEOBSASVCNWZGN-OAHLLOKOSA-N 310.401 2.717 0 40 DFAB c1cncc(O[C@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)c1 96222524 FGTXYVOXKVWCID-MSOLQXFVSA-N 314.385 2.877 0 40 DFAB CCOc1ccc([C@@H](COC)NC(=O)N2CC=CCC2)cc1 241371414 MNJMPCUGQVHQON-MRXNPFEDSA-N 304.390 2.744 0 40 DFAB Cc1ccnc([C@@H]2CCN(CCOc3ccc(F)cc3)C2)n1 257231091 GFEQCIXGMHBSQQ-CQSZACIVSA-N 301.365 2.792 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257201035 AFWQBRKROOGHRX-HNNXBMFYSA-N 307.357 2.639 0 40 DFAB Cc1cccc(CN2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)n1 257313138 URECNQONEPRWHK-BPQIPLTHSA-N 323.444 2.527 0 40 DFAB COc1ccc([C@@H](CN(C)C)NCc2csc(C)n2)cc1 283880127 HCKFGLMZHLFMEA-MRXNPFEDSA-N 305.447 2.853 0 40 DFAB Cc1cc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)c(C)o1 96025120 VUQGBLWAXXETOC-UHFFFAOYSA-N 323.352 2.909 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccccc1OC 298131735 YLCHVPFZZBATGC-AWEZNQCLSA-N 320.433 2.644 0 40 DFAB c1coc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c1 585105208 QHMUWHRXAFOIBW-INIZCTEOSA-N 323.458 2.783 0 40 DFAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)no1 44894315 HXGKPJHPXDEZGN-GFCCVEGCSA-N 315.373 2.829 0 40 DFAB c1cc2c(s1)CCN(C1CN(c3nnc(C4CC4)s3)C1)C2 1776001953 VKPLHWFKVKDQIO-UHFFFAOYSA-N 318.471 2.724 0 40 DFAB CC(C)c1noc(CN2CCC[C@H](COc3ccncc3)C2)n1 1776001384 QALNWWOVPPQLOF-AWEZNQCLSA-N 316.405 2.879 0 40 DFAB CN(Cc1ccco1)C(=O)c1cccnc1OCC(F)(F)F 40498696 QZEAUSSSFJZNEK-UHFFFAOYSA-N 314.263 2.888 0 40 DFAB CC(C)c1nccc(N2CCC(c3nncn3C3CC3)CC2)n1 91483666 KJQDKJHLMBTYKP-UHFFFAOYSA-N 312.421 2.910 0 40 DFAB C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC[C@@H]1CCCCO1 96004240 GSJDHKBEDRPGKA-UWWQBHOKSA-N 305.418 2.617 0 40 DFAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)nn1 585234320 HWYXGRSPNWKSAK-CYBMUJFWSA-N 314.364 2.779 0 40 DFAB COCCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19593113 YHCSZKMQGATANH-UHFFFAOYSA-N 321.402 2.541 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccccc2)cc2sc(N)nc12 226314566 WDDJVYJOECOMDJ-UHFFFAOYSA-N 319.411 2.988 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 7050609 DJFBIWATXARSFW-UHFFFAOYSA-N 317.366 2.674 0 40 DFAB O=C(C1CCCCC1)N1CCOC[C@H](Cc2ccccn2)C1 1848355570 AQEFNSQTRINQBL-OAHLLOKOSA-N 302.418 2.679 0 40 DFAB CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)C(C)C)CC1=O 21871534 LUBWIWCXMOXUON-UONOGXRCSA-N 318.417 2.599 0 40 DFAB O=C1COc2ccc(NC(=O)c3ccc(Cl)s3)cc2N1 22384567 GVMUYFYKGWZLAS-UHFFFAOYSA-N 308.746 2.985 0 40 DFAB c1coc(CNC2=NN=C(c3ccc4c(c3)OCO4)CS2)c1 14168249 PRGPFUVKXMLYEE-UHFFFAOYSA-N 315.354 2.605 0 40 DFAB Cc1cccn2cc(CCNC(=O)c3ccc(F)c(F)c3)nc12 2960956 MDCUECFVTLQUSW-UHFFFAOYSA-N 315.323 2.893 0 40 DFAB CNC(=O)c1ccsc1NC(=O)Cc1cc(C)ccc1C 10701210 QLEAVVAHJUVQFV-UHFFFAOYSA-N 302.399 2.906 0 40 DFAB CC(=O)N/C(=C\c1ccccc1C)C(=O)NC1CCCCC1 12293933 IPIUXSAGRPLCDR-ATVHPVEESA-N 300.402 2.921 0 40 DFAB Cn1c(CCNC(=O)c2ccncc2Cl)nc2ccccc21 73093136 AXVPSDXGZZYCBI-UHFFFAOYSA-N 314.776 2.594 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)n1 50121138 ZCKIJLNHAZPROY-NWDGAFQWSA-N 309.797 2.647 0 40 DFAB Sc1nc2ccccc2c2nc(CCN3CCCCC3)nn12 20643353 QZQHJAITHKYWTE-UHFFFAOYSA-N 313.430 2.595 0 40 DFAB CCN1C[C@@H](C(=O)Nc2cc(-c3ccncc3)ccc2C)CC1=O 101847374 PWDLYBHNULPQCG-INIZCTEOSA-N 323.396 2.864 0 40 DFAB CCOC(=O)c1cnc(NC(=O)N2[C@H]3CCCC[C@H]2CCC3)[nH]1 102028438 WDLFMJLMSZUPQD-RYUDHWBXSA-N 320.393 2.915 0 40 DFAB CC(=O)Oc1ccc2c(C)c(C[C@H](C)OC(C)=O)c(=O)oc2c1 383188 QHJKUAXAQRPYPM-VIFPVBQESA-N 318.325 2.521 0 40 DFAB COc1ccccc1OCCNC(=O)N[C@@H]1CCCC[C@H]1C 32862810 KIRMWXBBWIJAKY-ZIAGYGMSSA-N 306.406 2.952 0 40 DFAB CN(C)C(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 32923500 BOJWGFPDZMOJSE-UHFFFAOYSA-N 311.263 2.990 0 40 DFAB CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1 53052332 GAKNWVSBPDKKJP-UHFFFAOYSA-N 308.403 2.556 0 40 DFAB COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 533427 IIXUKXMJLFXJDH-UHFFFAOYSA-N 323.381 2.707 0 40 DFAB C[C@]1(C(=O)NC[C@@H]2COc3ccccc3O2)CC1(Cl)Cl 22689615 QARLIANRCVQXNI-NOZJJQNGSA-N 316.184 2.527 0 40 DFAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCSCC1 53818198 VSJHVKXEIUPJRZ-UHFFFAOYSA-N 307.806 2.919 0 40 DFAB COC(=O)C(C(=O)OC)[C@H](Nc1ccccc1)c1ccccc1 69916 HCCNVGFTNVAUFO-MRXNPFEDSA-N 313.353 2.802 0 40 DFAB C[C@H]1CN(C(=S)SCC(=O)c2ccccc2)C[C@H](C)O1 198809 XHCRBCJFUHNONY-RYUDHWBXSA-N 309.456 2.997 0 40 DFAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccs1 361483 LNUGEXJHPGCABN-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 78161533 IXTNDSRGHQLGLT-BMFZPTHFSA-N 316.401 2.578 0 40 DFAB CCCOC(=O)c1ccccc1OP(=O)(N(C)C)N(C)C 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47866603 BZHSREOHVZFXCN-AWEZNQCLSA-N 317.414 2.817 0 40 DFAB CSc1ncccc1C(=O)NCc1ccc(NC(C)=O)cc1 24928430 RGAQLSGALMWSES-UHFFFAOYSA-N 315.398 2.692 0 40 DFAB CC(=O)c1ccc(C(=O)NCCc2cccc(CN(C)C)c2)cc1 95398396 GMKPLWFFEZRDPM-UHFFFAOYSA-N 324.424 2.923 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1cccc2cc[nH]c12 97144216 OTKCRJLCTMPULD-MRXNPFEDSA-N 309.369 2.720 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)N1CCC(CO)CC1)C(F)(F)F 97136408 QGZNJFASYJREEC-LLVKDONJSA-N 310.360 2.767 0 40 DFAB CCS[C@H]1CCCCN([C@H](C)C(=O)NCC(F)(F)F)C1 107531041 NKTZXMYSCWKSBR-MNOVXSKESA-N 312.401 2.661 0 40 DFAB O=C(COc1ncnc2ccccc12)c1ccc2c(c1)OCCO2 3266864 ZRAOAMQWVDSPMC-UHFFFAOYSA-N 322.320 2.663 0 40 DFAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)CO 97202523 QHPHESYWSCUPRD-SNVBAGLBSA-N 320.414 2.694 0 40 DFAB O=S(=O)(CCNCc1ccccc1Cl)c1ccccc1 48260295 QWEYPAXXTJUMDO-UHFFFAOYSA-N 309.818 2.904 0 40 DFAB C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)n1ccnc1 48276845 WBBPRJXQDKOHGF-HNNXBMFYSA-N 312.417 2.703 0 40 DFAB CN(C)c1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)cc1 58232340 IXAJXFDNYNVCJG-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB Cc1ccc2c(cnn2CCC(=O)NCc2csc(C)n2)c1 57279331 BGILPAYNQFXBBI-UHFFFAOYSA-N 314.414 2.816 0 40 DFAB O=C1C[C@H](Sc2ccccn2)C(=O)N1c1ccc(F)c(F)c1 102242107 RARBRHFCEJBPIM-LBPRGKRZSA-N 320.320 2.784 0 40 DFAB O=C(CN1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 29121095 UCNWHLFPSVTKBW-UHFFFAOYSA-N 302.374 2.762 0 40 DFAB COc1ccc(-c2nnsc2C(=O)Nc2cccnc2)cc1 36359324 ZJAHYDOSFGHBHT-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB O=C(c1cccc(F)c1)n1c(S)nc2ccccc2c1=O 103650450 GMKHQJZFLWQRAM-UHFFFAOYSA-N 300.314 2.513 0 40 DFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CC2)nc1 28939837 FUFPFHJFKBHOEV-UHFFFAOYSA-N 317.414 2.871 0 40 DFAB Cc1csc(NC(=O)CN(C)CCCc2ccccc2)n1 48355878 RTUFRRYPNFQTEM-UHFFFAOYSA-N 303.431 2.955 0 40 DFAB C[C@@H](NC(=O)CCc1ccccc1Cl)C(=O)NC1CCCC1 48310384 TUKRHMTZJUDNQG-GFCCVEGCSA-N 322.836 2.836 0 40 DFAB COCCS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 72277688 QIOZTBCPEBESKM-KRWDZBQOSA-N 319.426 2.650 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)c3cc4ccccc4o3)c12 72286149 VLORDPSXPIXZHU-UHFFFAOYSA-N 309.329 2.857 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 23113852 LUYUGOFTJJTLEA-UHFFFAOYSA-N 313.762 2.979 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(F)c(F)c2)n1 48405027 KOPRYYRCJVSXBH-SNVBAGLBSA-N 307.344 2.844 0 40 DFAB CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl 9683953 QVYLEFFOUPMPNM-UHFFFAOYSA-N 320.570 2.994 0 40 DFAB CCCN1C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C(=O)OC)=C1C 13011056 XIUHIDSXSQUBBN-AWEZNQCLSA-N 324.327 2.888 0 40 DFAB CCSc1ccc(NC(=O)c2c(O)nnc(C)c2C)cn1 63611616 CKQANFCOVWRFBP-UHFFFAOYSA-N 304.375 2.558 0 40 DFAB CC(C)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 83991804 MBCHGQDNZRYYMI-OAHLLOKOSA-N 302.374 2.933 0 40 DFAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccccc4)cnc32)cc1 4268606 GLBDAQXYXBTQPH-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](C)C3 13856460 OYVLVDPBRCCPOJ-NSHDSACASA-N 322.368 2.703 0 40 DFAB NC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 9314901 KYLFWCNPWWUJIC-UHFFFAOYSA-N 319.158 2.800 0 40 DFAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccco1 6998341 UJWHOTNOZLXFSE-UHFFFAOYSA-N 320.776 2.759 0 40 DFAB COC(=O)CC(C)(C)CC(=O)N1CCc2cc(F)ccc2C1 96490004 UZEZTJCEBXRJCA-UHFFFAOYSA-N 307.365 2.690 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2C[C@H]1C 7535589 IXTYNCAMSIKDQD-BDAKNGLRSA-N 320.443 2.579 0 40 DFAB Cc1n[nH]c(-c2ccc(NC(=O)CC[C@H]3CCCOC3)cc2)n1 96449526 WGDRLCXBEOCOTE-CYBMUJFWSA-N 314.389 2.925 0 40 DFAB Cc1nn(C)c(C)c1OC(=O)c1nc(Cl)ccc1Cl 96424023 MZZCBPPCSPAMKS-UHFFFAOYSA-N 300.145 2.958 0 40 DFAB C/C=C/C=C/C(=O)OCC(=O)NCCc1c[nH]c2ccccc12 8100419 AXGNRUCFEHHDLQ-DSXPNFDZSA-N 312.369 2.502 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccco1 70038468 HCZBXDKZPUSOJV-CMDGGOBGSA-N 308.378 2.712 0 40 DFAB O=c1c(C(F)(F)F)cc(C2CC2)nn1C[C@H](O)c1ccccc1 71817330 NJUGBFIBBLBKRP-AWEZNQCLSA-N 324.302 2.873 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccc2c(c1)CCO2 71837435 YMQCBRHFQKRGLQ-JTQLQIEISA-N 314.389 2.855 0 40 DFAB COc1ccc(C(=O)NCCOc2ccccc2F)cc1F 8390802 AVGDCDYUHOZTKV-UHFFFAOYSA-N 307.296 2.782 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)n[nH]1 84110407 VLVZNTRYNKJVIE-OAHLLOKOSA-N 312.417 2.842 0 40 DFAB Cc1ccc(-c2nc(CN3CC(n4nc(C)cc4C)C3)no2)cc1 71880764 UXOINYBRJMURFA-UHFFFAOYSA-N 323.400 2.915 0 40 DFAB CC(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 69565055 PUGCUDSKWQSQLF-LBPRGKRZSA-N 321.446 2.854 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 69518212 MRDBRPFKYWPIQN-OAHLLOKOSA-N 320.408 2.523 0 40 DFAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCC(=O)c2cccs2)n1 84102233 AHHLVZVOZMFIMT-GFCCVEGCSA-N 319.430 2.729 0 40 DFAB C[C@@H](NC(=O)N1CCC2(CCCCC2)CC1)c1nncn1C 69697236 ZLXJNPSUJAQQEK-CYBMUJFWSA-N 305.426 2.632 0 40 DFAB O=C(NCC[S@](=O)c1ccccc1)Nc1ccc(F)cc1 69778171 HIQMXPRSCPVJJE-OAQYLSRUSA-N 306.362 2.755 0 40 DFAB O=C(NCc1ccccc1Cl)N[C@H](CO)c1ccccc1 69977296 VJRVKZADSMHSDS-OAHLLOKOSA-N 304.777 2.873 0 40 DFAB CCCCc1noc([C@@H](C)NC[C@@H]2CCCn3ccnc32)n1 84746894 LIGPRSGTVCEZKP-OLZOCXBDSA-N 303.410 2.837 0 40 DFAB NCc1ccc(C(=O)N2CCC[C@@H]2COc2ccccc2)cc1 95426512 WRXDMHVNAGWEMN-QGZVFWFLSA-N 310.397 2.829 0 40 DFAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1 95445471 ILDWDMDIZRLLML-SWLSCSKDSA-N 317.389 2.833 0 40 DFAB CC[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)=O)cc1 95404820 RHMCVHVUOZDOGI-DLBZAZTESA-N 315.417 2.980 0 40 DFAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@]2(CCOC2)C1 95410573 CQMOEPCIQQSSJX-JZXOWHBKSA-N 300.402 2.612 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1 95464066 QAWLJXOQJPBLSV-ZDUSSCGKSA-N 322.723 2.820 0 40 DFAB Cc1cnc(NC(=O)c2cnc(C)cn2)c(Br)c1 95973908 AOOPAFIJASJKLT-UHFFFAOYSA-N 307.151 2.503 0 40 DFAB CSC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 74326961 HMOMSRNFTQEDGU-STQMWFEESA-N 318.446 2.984 0 40 DFAB Cc1cc(F)c(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)O 89570271 KOSPLVXGPVTXKZ-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1cccc(OCCN(C)CCC(=O)N2CC[C@H](C)C2)c1 75105078 ULOKYKUXSBCJHT-INIZCTEOSA-N 304.434 2.564 0 40 DFAB Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)CCCn2ccnc2)s1 89656339 FTKGUCWIOFHQFD-KBPBESRZSA-N 303.431 2.905 0 40 DFAB NC(=O)c1cccc(CNC(=O)C2(Cc3ccccc3)CCC2)c1 89830257 VQUSQHBTUMQGHO-UHFFFAOYSA-N 322.408 2.815 0 40 DFAB CCOc1cc(CNC(=O)c2ccc(Cl)nc2C)ccn1 89991015 BQQCHBDGGHBPRH-UHFFFAOYSA-N 305.765 2.767 0 40 DFAB Cc1ccc(N2C(=O)CS(=O)(=O)c3cc(F)ccc32)c(C)c1 67340777 HYNKXJSTQAYKQT-UHFFFAOYSA-N 319.357 2.895 0 40 DFAB COC[C@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 66780997 CHVLFWVGHPVMCW-NSHDSACASA-N 306.337 2.564 0 40 DFAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 35160130 ZWXGCARGHQEWIS-BQYQJAHWSA-N 302.355 2.511 0 40 DFAB CCCc1c2nc(-c3ccccc3OCC)[nH]c(=O)c2nn1C 38842796 PLIKMDAFNJLLHF-UHFFFAOYSA-N 312.373 2.675 0 40 DFAB in-vitro COC(=O)C[C@@H](NC(=O)c1ccncc1Cl)C1CCCCC1 73124329 CDXIPBGRHUZQIT-CQSZACIVSA-N 324.808 2.977 0 40 DFAB COc1cccc([C@H](C)NS(=O)(=O)c2cnn(C(C)C)c2)c1 72239153 ADUBXKBLHWPIPS-LBPRGKRZSA-N 323.418 2.512 0 40 DFAB CN(C)c1cccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 72367481 YCGVJQHDNYHYLB-IAGOWNOFSA-N 303.450 2.631 0 40 DFAB COc1ccccc1CNC(=O)Cc1nnc(-c2ccccc2)o1 62007213 XGIDPCQALSRMGO-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCC3)c12 36615969 QOEMVTIDSFROQW-UHFFFAOYSA-N 310.357 2.773 0 40 DFAB COC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1 36611891 IETNQXVPGHLBPI-UHFFFAOYSA-N 301.342 2.791 0 40 DFAB COc1cccc(CSCC(=O)NCc2ccccn2)c1 69780155 VFFBNWNTHRYXOE-UHFFFAOYSA-N 302.399 2.640 0 40 DFAB Cc1nccn1Cc1ccc(C(=O)NCc2ccncc2)cc1 38850051 OUGXFTBIZBDTAL-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB CN(CCO)C(=O)Nc1cccc(COc2cccc(F)c2)c1 77677585 LHJUAOSPDCEOIE-UHFFFAOYSA-N 318.348 2.861 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@@H]2c2ccccc2)cc1 218050918 MDTGOOGNARBNMV-IXDOHACOSA-N 302.395 2.543 0 40 DFAB Cc1nc(C(=O)N[C@H](c2ccccc2)C(C)(C)CO)c(C)o1 564830543 WNEIBDCJCMYUBC-OAHLLOKOSA-N 302.374 2.781 0 40 DFAB COc1ccc(Cl)cc1NC(=O)NC[C@@](C)(O)c1ccco1 75156363 PIWPFKMWUFBMGA-OAHLLOKOSA-N 324.764 2.971 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2F)cc1 84847522 KBLAJUBNCFDTIE-UHFFFAOYSA-N 322.361 2.893 0 40 DFAB C[C@H](CNC(=O)[C@@H](C)n1ccnc1)Oc1ccc(Cl)cc1 81350063 QLRDGWIIXANKBO-VXGBXAGGSA-N 307.781 2.681 0 40 DFAB Cn1nncc1C(=O)N(c1cccc2cccnc12)C1CCCC1 225581696 OYYTWTKDYSTKPQ-UHFFFAOYSA-N 321.384 2.953 0 40 DFAB CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1cnccn1 195531099 BJVIYXRRZSLWKX-KBMXLJTQSA-N 305.422 2.809 0 40 DFAB O=C1CCCN1Cc1cccc(-c2nc(-c3ccncc3)no2)c1 193199736 FNPHORMCJIHHDQ-UHFFFAOYSA-N 320.352 2.921 0 40 DFAB S=C(NCc1ccncc1)Nc1ccc(Br)cn1 225194274 OUVVTAJVWLTRID-UHFFFAOYSA-N 323.219 2.726 0 40 DFAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224677278 BNFUZSVLSJAJHC-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)no1 96427374 KSZWGHGSPYFJGQ-UHFFFAOYSA-N 319.342 2.747 0 40 DFAB COC[C@@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1 96105806 NSXWUAINWVYNTK-INIZCTEOSA-N 305.418 2.713 0 40 DFAB CC[C@@H]1CCCN(C(=O)[C@@H](NC2CCOCC2)C(C)C)CC1 96436608 HUGUEZMONPELCA-WBVHZDCISA-N 310.482 2.818 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1ccco1 96502055 IAVUJOZUOWVEFQ-OLZOCXBDSA-N 308.378 2.525 0 40 DFAB Cc1nc(C(F)(F)F)c(Cn2ncc3c2C[C@@H](O)CC3)s1 333492587 VBFDKHLAFIMJII-VIFPVBQESA-N 317.336 2.565 0 40 DFAB COc1cc2cc(C(=O)NCCc3ccco3)[nH]c2cc1OC 96116476 SSJKCRLVECJXGI-UHFFFAOYSA-N 314.341 2.751 0 40 DFAB biogenic O=C(COC(=O)Cc1ccsc1)NCCC1=CCCCC1 95471782 WTMYAVIXARKYDA-UHFFFAOYSA-N 307.415 2.841 0 40 DFAB CN(C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nccs1 96425018 VIVKNCDCANSDBY-RYUDHWBXSA-N 316.382 2.681 0 40 DFAB Cc1nn(C)c(C)c1CN[C@@H]1CCN(c2ccc(F)cc2F)C1 96494353 PPHFICMYSOVXBL-CQSZACIVSA-N 320.387 2.684 0 40 DFAB c1cncc(NC[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2ccco2)c1 247951082 YKDFBARVWSORPM-QGTPRVQTSA-N 313.401 2.766 0 40 DFAB Cc1c[nH]c(-c2cc(C[C@H]3CCN(c4ccccn4)C3)ncn2)n1 257232342 GKMQLLQSAUKLNT-CQSZACIVSA-N 320.400 2.639 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)n1 257277126 NWNVBEXEKYPLGZ-INIZCTEOSA-N 323.400 2.740 0 40 DFAB Cn1cc(CN2CCC3(CC2)OCCC[C@@H]3O)c2ccccc21 257332615 XYANWFZUBQCMES-SFHVURJKSA-N 314.429 2.684 0 40 DFAB Cc1cc(N)cc([C@@H]2CN(Cc3ccc(C)s3)CCO2)n1 257294042 QSEPZJYBROUEHG-INIZCTEOSA-N 303.431 2.916 0 40 DFAB CC(=O)N1N=C(c2ccccc2)Sc2c1nc(C)n2C(C)=O 16777047 IGYFDERKOVKLPI-UHFFFAOYSA-N 314.370 2.672 0 40 DFAB COC(=O)c1c(C)nc2cc[nH]c(=O)c2c1-c1ccc(F)cc1 19819228 PEJJLOMZNONOIS-UHFFFAOYSA-N 312.300 2.824 0 40 DFAB O=C(N[C@H]1CCn2nccc2C1)C1(c2cccs2)CCCC1 253473188 SNHJEFNEGQYOSU-ZDUSSCGKSA-N 315.442 2.888 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccncc1)c1ccccc1Cl 14085228 YYMRZZFEBACCGM-CQSZACIVSA-N 318.760 2.769 0 40 DFAB CCOc1ccc(CN(C)CN2C(=O)c3ccccc3C2=O)cc1 22309742 RNPWVEFUKUJPDG-UHFFFAOYSA-N 324.380 2.771 0 40 DFAB O=C(Nc1cccnc1)N1CCN(Cc2ccccc2F)CC1 24535555 ANQNLZYWJASTJL-UHFFFAOYSA-N 314.364 2.570 0 40 DFAB CCc1ccccc1NC(=O)C(=O)NCCc1ccccc1F 3085390 JABUMUGRXQZENL-UHFFFAOYSA-N 314.360 2.686 0 40 DFAB O=C(CCc1ccccc1F)N1CC(Oc2nccs2)C1 206919846 HRPLHZRXYRGQTM-UHFFFAOYSA-N 306.362 2.505 0 40 DFAB Cc1ccc(-n2nnnc2-c2cnc3ccccc3c2N)cc1 88096 MCBZUOQPXQGPPN-UHFFFAOYSA-N 302.341 2.768 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)c1ccccc1S(C)(=O)=O 21321767 RMQIEUOUKYHXER-ZDUSSCGKSA-N 317.410 2.890 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccncc3)C2)cc1 32726735 OGBYIGAHKJYXJT-INIZCTEOSA-N 323.396 2.881 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(N)=O)cc2)cc1 32901842 MARGAMSXZPSMKC-LBPRGKRZSA-N 313.357 2.892 0 40 DFAB CCN(C(=O)Cn1c(S)nnc1-c1ccc(C)cc1)C1CC1 61377315 CJHNZOQLBYMHTQ-UHFFFAOYSA-N 316.430 2.553 0 40 DFAB CC(=O)Nc1ccc2c(c1)CN(c1cccc(C(=O)O)c1)CO2 542261 MNHCGALSXVTQSF-UHFFFAOYSA-N 312.325 2.700 0 40 DFAB Cn1c(CCNC(=O)Nc2nccs2)nc2c(F)cccc21 78644349 XLBRXBJAYKNLGH-UHFFFAOYSA-N 319.365 2.533 0 40 DFAB O=C(O)c1ccc(CCNC(=O)c2ccc3[nH]ccc3c2)cc1 78797001 WEYPPALEFYDEOK-UHFFFAOYSA-N 308.337 2.839 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc(COC)cc2)[C@H](C)C1 78897619 INXCKHKPGDADER-PBHICJAKSA-N 304.434 2.570 0 40 DFAB C[C@H]1CCc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc2C1 2763713 FHKAZKJJCLNVBW-DCAQKATOSA-N 320.414 2.873 0 40 DFAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 23624423 UBPWHLPGNVHZLL-SECBINFHSA-N 303.189 2.653 0 40 DFAB CCOC(=O)c1cn[nH]c1NC(=O)Nc1ccc(Cl)cc1 6265603 MYOFENCFDMHQSI-UHFFFAOYSA-N 308.725 2.884 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C)CC2)c1C 7191894 AFOJJVQEMJFJGH-ZDUSSCGKSA-N 306.406 2.721 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 7595619 VGFZUZKDPGHDSK-ZDUSSCGKSA-N 312.369 2.794 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@@H](C)[C@H]2C)c1 95454894 YRHCIQBVQWIKRE-OLZOCXBDSA-N 319.405 2.922 0 40 DFAB C[C@@H](NCc1nncn1C)c1cc(Br)ccc1F 95420209 ORDJCFINMFUKLH-MRVPVSSYSA-N 313.174 2.568 0 40 DFAB CCSCc1ccnc(NC(=O)N2CCCN(C)CC2)c1 97107698 CPXOSBGXBGCKPW-UHFFFAOYSA-N 308.451 2.504 0 40 DFAB O=C(Nc1ccccc1)c1ccc(N2C(=O)CCCC2=O)cc1 8434730 LXSJILAHBGFSIR-UHFFFAOYSA-N 308.337 2.982 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccnc2-n2cccn2)c1C 25009519 KGEVFHCYCGPHHF-UHFFFAOYSA-N 323.356 2.667 0 40 DFAB COc1cc(OC)c(C(=O)Nc2nc(C)cs2)cc1OC 12684406 LIDNCXHJBLPMFI-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB COCCCNS(=O)(=O)c1cccc2cccc(Cl)c12 35685509 ORGIAMBHZJFVLG-UHFFFAOYSA-N 313.806 2.808 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)oc1)[C@@H]1[C@H]2C[C@@H]3C[C@@H]2CC[C@@H]1C3 102755409 JKUIUOHKHIBIIS-AADIFLRRSA-N 301.386 2.830 0 40 DFAB Cc1nc(-c2ccccc2)sc1NC(=O)N1CCOCC1 97107757 JYQDBRLVVCATTB-UHFFFAOYSA-N 303.387 2.983 0 40 DFAB O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cccnc1 12787885 MWUAOWKPLXIHON-INIZCTEOSA-N 302.399 2.749 0 40 DFAB CCCc1noc([C@H](C)OC(=O)c2cccc(OC)c2O)n1 27590252 OXRNPCFKFUCEBX-VIFPVBQESA-N 306.318 2.654 0 40 DFAB C[C@@H](C(=O)Nc1nccs1)N(C)CCOc1ccc(F)cc1 27681555 DCQOHXRTLDTCKG-NSHDSACASA-N 323.393 2.620 0 40 DFAB O=C(NCc1noc(-c2ccsc2)n1)c1ccccc1F 58202018 KVYKOIRVLUEXRL-UHFFFAOYSA-N 303.318 2.867 0 40 DFAB Cc1csc(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)n1 44966987 SHDKUXURGUUQJU-UHFFFAOYSA-N 306.435 2.950 0 40 DFAB O=c1cc(CN2CCCCCC2)c2cc3c(cc2o1)OCO3 2123861 RLVKEMKDLMOQRS-UHFFFAOYSA-N 301.342 2.898 0 40 DFAB biogenic Cc1nn(C)c(Oc2ccccc2)c1CNCc1ccnn1C 58304930 ZNPRDTQRHVFBJT-UHFFFAOYSA-N 311.389 2.544 0 40 DFAB Cc1cc(OCC(N)=O)ccc1NC(=O)N(C)CC1CCCC1 58429423 LDSHOGMFUIGRPM-UHFFFAOYSA-N 319.405 2.513 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21 2457126 YYMPNSBFODTVKG-LBPRGKRZSA-N 308.337 2.572 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 12825095 GYJZMVRTODFORF-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB COC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 21960374 UEOCSYQVCPVLLS-UHFFFAOYSA-N 308.186 2.838 0 40 DFAB CC(=O)N[C@H](CC(=O)NC1CCC(C)CC1)c1ccccc1 3431101 XABSNJWRUQBJRY-QWFMPGPPSA-N 302.418 2.949 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1C 46756234 GICBGRTUBSBART-SECBINFHSA-N 319.279 2.688 0 40 DFAB CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCOC1 47068370 VCZXDNCNHBCGDZ-SNVBAGLBSA-N 302.827 2.970 0 40 DFAB O=C(O)C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13167044 UJGCLOXGVHUGQO-UHFFFAOYSA-N 316.184 2.859 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 13468678 KDOHIVFTVQIUNM-IHRRRGAJSA-N 317.385 2.848 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C 4371786 IYPJQNWOGHVEJA-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2csc(C)n2)c1C 65495517 UVLWHBUJSVCDRU-UHFFFAOYSA-N 305.403 2.871 0 40 DFAB CC[C@@](C)(O)CNC(=O)Nc1cccc(OCC(F)(F)F)c1 66159269 FTWKEHMOQSKAJW-CYBMUJFWSA-N 320.311 2.910 0 40 DFAB CSc1ncc(C(=O)OCC2(C)COC2)n1-c1ccccc1 66532272 JRNASSYQAYREIC-UHFFFAOYSA-N 318.398 2.788 0 40 DFAB Fc1ccc([C@H]2CN(Cn3cc(Cl)cn3)CCO2)cc1F 66794614 GINDPELATFXJGS-CQSZACIVSA-N 313.735 2.846 0 40 DFAB COc1ccc(OCCCN2C(=O)C(=O)c3ccccc32)cc1 6809368 ZMHFHVSQPYCDEG-UHFFFAOYSA-N 311.337 2.694 0 40 DFAB O=C(NCCO)Nc1ccc(OCc2cccc(F)c2)c(F)c1 71799351 COVRFKYJHZSDPO-UHFFFAOYSA-N 322.311 2.658 0 40 DFAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCc2ccccc21 15521773 RPIQTOCMTAGHIC-SFHVURJKSA-N 309.413 2.751 0 40 DFAB NC(=O)CN(Cc1cccc(Oc2ccccc2)c1)C(=O)C1CC1 71823367 KPGGAWLQGPGNAU-UHFFFAOYSA-N 324.380 2.703 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7654297 MRKBKBPIRRGKOI-LLVKDONJSA-N 318.760 2.920 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c(C)o1 7745934 PICHNRQGJWZHDW-ZDUSSCGKSA-N 301.342 2.758 0 40 DFAB COc1ccccc1Oc1ccc(NC(=O)NCCCO)cc1 71901869 IHLXOYWHYYYBHO-UHFFFAOYSA-N 316.357 2.991 0 40 DFAB O=C(NC1CC1)[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1 69537054 NFRIFPLBSSFRCX-MRXNPFEDSA-N 323.352 2.553 0 40 DFAB CCN(Cc1ccccc1)C(=O)[C@H](C(C)C)N1CCCC1=O 69842664 HYHVNVQMTFYKPH-KRWDZBQOSA-N 302.418 2.682 0 40 DFAB CCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OC 8714614 SFTKXWNGKURUJH-UHFFFAOYSA-N 305.399 2.736 0 40 DFAB Cc1ccccc1[C@@H](O)CNC1CCN(c2nccs2)CC1 97081027 JJGLJPDHOTXXAQ-INIZCTEOSA-N 317.458 2.744 0 40 DFAB O=[S@@](CCO)Cc1ccc(Oc2ccccc2F)c(F)c1 97046661 LYFNKQHSSUIJHA-OAQYLSRUSA-N 312.337 2.998 0 40 DFAB COc1ccc(C(=O)CNC(=O)Cc2cccc(F)c2F)cc1 95977019 VJRVCRWRDJIPNI-UHFFFAOYSA-N 319.307 2.515 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 95970834 MBGIRFLIQOWPNP-WWGRRREGSA-N 307.777 2.767 0 40 DFAB O=C(NC1=NCCS1)c1ncoc1-c1ccccc1Cl 95961420 SAQCOBPIAHGEHH-UHFFFAOYSA-N 307.762 2.828 0 40 DFAB COc1cccc(CN(C)C(=O)c2cc(C3CC3)on2)c1OC 89361268 WGIPPBXOFZHRLN-UHFFFAOYSA-N 316.357 2.841 0 40 DFAB C[C@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H]1O 89424208 PYOVPMKDIHMXPY-SWLSCSKDSA-N 316.426 2.577 0 40 DFAB CC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1C 89544995 CBEXAORGKMUEBI-JTQLQIEISA-N 319.792 2.932 0 40 DFAB COc1cccc(OC)c1C(=O)NC[C@H](C)c1c(C)noc1C 89526270 GVXXEHDUFCAREH-JTQLQIEISA-N 318.373 2.842 0 40 DFAB CCSc1nnc(SCCN2CCSCC2)s1 75108786 KNTOOXFZTNVYNO-UHFFFAOYSA-N 307.535 2.791 0 40 DFAB O=C(NCCc1nc2cc(F)ccc2s1)Nc1nncs1 89807276 QJJJFZQUJGINJI-UHFFFAOYSA-N 323.378 2.651 0 40 DFAB O=C(c1cccc2ccccc12)N1CCC(n2ccnn2)CC1 89873169 MMBYSGOYKPWCKU-UHFFFAOYSA-N 306.369 2.909 0 40 DFAB CCCOc1ccc(CCC(=O)N[C@H](C)c2noc(C)n2)cc1 89960296 QLYWJMQWHMCLJF-GFCCVEGCSA-N 317.389 2.977 0 40 DFAB COc1ccc(CCNC(=O)c2c[nH]c3ccccc3c2=O)cc1 22233889 HRXHWVJATJLKOQ-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1 20144040 QGMJRVXUDWTHMF-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB Cc1ccccc1C(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070922 JYPIRZRLABZGRC-GOSISDBHSA-N 320.392 2.577 0 40 DFAB CCN(CC)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 35233176 UHXHWMWRJBBMFQ-UHFFFAOYSA-N 324.368 2.734 0 40 DFAB Cc1cccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 39957007 RNKMXKMHEYVYLH-MRXNPFEDSA-N 313.353 2.917 0 40 DFAB O=C1CCCN1CCCNc1ncnc2sc3c(c12)CCC3 8147043 CCQJAGACJJBGCO-UHFFFAOYSA-N 316.430 2.604 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(c2ccccc2)=NO1 33144949 TZADSOCVWHDLPN-QGZVFWFLSA-N 324.336 2.590 0 40 DFAB CC(C)C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 38884780 QNOUIWRQNMDNRP-UHFFFAOYSA-N 318.446 2.643 0 40 DFAB COc1ccc([C@@H]2CCN(Cc3occc3C(=O)O)C2)cc1 563278359 ITMBZIWFZSUYLD-CYBMUJFWSA-N 301.342 2.976 0 40 DFAB COc1ccccc1N1CCN(CC(=O)c2ccccc2)CC1 49922416 XJJKBCXTBRSCKO-UHFFFAOYSA-N 310.397 2.700 0 40 DFAB Cc1ccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 226388683 BCNNJHDWOXQMDX-PDCGBLAGSA-N 322.408 2.726 0 40 DFAB CN(C(=O)[C@@H]1COCCO1)C1c2ccccc2-c2ccccc21 81396900 OKPKJIUJOCQLEH-KRWDZBQOSA-N 309.365 2.630 0 40 DFAB O=C(NC[C@@H]1CCNC[C@H]1C(F)(F)F)OCc1ccccc1 199714840 GSKKUDWXZVWAMK-QWHCGFSZSA-N 316.323 2.701 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCN(c2cccc(CO)c2)C1 228909316 YCFOXVSWTPCBRZ-CQSZACIVSA-N 306.406 2.530 0 40 DFAB COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cn1 225915761 FUZPUJDEGNDAER-UHFFFAOYSA-N 320.389 2.742 0 40 DFAB O=C(O)c1ccoc1CN1CC[C@]2(CCc3ccccc3O2)C1 579497068 ANFIAYXXMZCRAL-GOSISDBHSA-N 313.353 2.948 0 40 DFAB COc1ccc(CN2CCNC(=O)[C@H]2c2cccs2)cc1F 96443541 WPJKUOFUVBXEOW-OAHLLOKOSA-N 320.389 2.569 0 40 DFAB C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nccs1 96427937 KJFBYABEFUURAE-ZCFIWIBFSA-N 322.333 2.600 0 40 DFAB CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2nc(C)nn2c1 580013965 PLAPBPQAZJXMRB-OLZOCXBDSA-N 319.434 2.833 0 40 DFAB CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 96409220 ZYPLATZMIXUEDJ-GOEBONIOSA-N 306.450 2.674 0 40 DFAB Cn1c(C2CCN(C(=O)c3cccnc3)CC2)nc2ccccc21 96231160 WAGRMZHNNRWIJO-UHFFFAOYSA-N 320.396 2.988 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1c(F)cccc1F 238143330 MYSAHHIMTVWCMM-VIFPVBQESA-N 315.316 2.875 0 40 DFAB Cc1ccc([C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 91690134 RIZAXCKNCDZIJA-SFHVURJKSA-N 310.397 2.943 0 40 DFAB CO[C@H](C)c1cccc(NC(=O)N(C)C[C@H](O)C(F)(F)F)c1 96491425 CKSXASAXHCTQLR-SKDRFNHKSA-N 320.311 2.781 0 40 DFAB Cc1nsc(C(=O)N2CCC(Cc3ccccc3)CC2)n1 96098440 WVBLHVTZRWTTMC-UHFFFAOYSA-N 301.415 2.941 0 40 DFAB O=C(N[C@H]1COC2(CCCCC2)C1)c1cn2ccsc2n1 92081834 CQDUHZOYKYYCQO-LLVKDONJSA-N 305.403 2.617 0 40 DFAB Cc1cc2c(cc1NC(=O)N1CCC[C@H]1[C@H]1CCCO1)OCO2 252509354 YLXIRVOPEUVAGQ-UONOGXRCSA-N 318.373 2.899 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)n1 257311453 UJNJTDSXRCBEJW-ZDUSSCGKSA-N 301.415 2.941 0 40 DFAB O=S(=O)(Nc1ccc(OCC(F)(F)F)c(F)c1)C1CC1 252509183 YFELJMCOVLIHLF-UHFFFAOYSA-N 313.272 2.671 0 40 DFAB COc1ccc([C@H]2CN(Cc3cncs3)CCN2C)cc1 257257155 KOGYACASSLEAPW-MRXNPFEDSA-N 303.431 2.640 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69437841 VDIPSJLTTBUTIV-ZDUSSCGKSA-N 302.378 2.528 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H]2Cn2nc(C)cc2C)o1 71870172 OIGNXOSZXXIGLS-AWEZNQCLSA-N 301.390 2.960 0 40 DFAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72235143 OKPXTBMGLCOZBE-HNNXBMFYSA-N 302.353 2.511 0 40 DFAB Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3C)C2=O)cc1 75520893 AEPJEJWQKBJOCD-KRWDZBQOSA-N 308.381 2.839 0 40 DFAB CCC1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC1 84257739 OPFWQHNYPMDFBP-QGZVFWFLSA-N 316.445 2.584 0 40 DFAB CCCc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 42623527 IPCOBCPQINEQNO-UHFFFAOYSA-N 320.824 2.998 0 40 DFAB Cc1nc2c(c(N3CC(n4c(C)nc5ccccc54)C3)n1)CCC2 1775974752 OERSMVUXGVLYHT-UHFFFAOYSA-N 319.412 2.993 0 40 DFAB Cc1c(CN(C)C[C@@H]2CCN(C)C2)cnn1Cc1ccccc1 12188695 NMEJSSSSTMFDKM-GOSISDBHSA-N 312.461 2.623 0 40 DFAB O=C(c1ccccc1)N1CC[C@H]1c1nc(-c2cccnc2)no1 19368704 VWTAMZGTWLHNTK-AWEZNQCLSA-N 306.325 2.719 0 40 DFAB C1=C[C@H]2C[C@H]1CC21COC2(OC1)OCC1(CO2)C[C@H]2C=C[C@H]1C2 103548520 VGFOQSFPTGPPBK-UJTKMRQJSA-N 316.397 2.856 0 40 DFAB O=C(NCc1cccs1)C1=NN(c2ccccc2)C(=O)CC1 541983 ILCMNWFPUMSINH-UHFFFAOYSA-N 313.382 2.547 0 40 DFAB O=C(Nc1cc(F)ccc1F)c1cc(C2CCOCC2)ncn1 1888852985 HMELSBPDKMIYCG-UHFFFAOYSA-N 319.311 2.901 0 40 DFAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2nsnc12 215230 VXCMBSDQOBENTP-NXEZZACHSA-N 311.432 2.548 0 40 DFAB CC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C 5240127 QZHSXRBSTSOLJG-UHFFFAOYSA-N 307.353 2.961 0 40 DFAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F 8924632 IVYHKYPZHYBPEE-CYBMUJFWSA-N 312.344 2.609 0 40 DFAB Cc1ccc(-c2cc(CC(=O)NCCCn3ccnc3)no2)cc1 12422145 PVURCCPOSNGEOF-UHFFFAOYSA-N 324.384 2.596 0 40 DFAB CC(C)Oc1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275770 UJXIDTQEMBQTJK-UHFFFAOYSA-N 304.371 2.887 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1 50010141 KRFAUVMACBHTSA-UHFFFAOYSA-N 307.346 2.853 0 40 DFAB O=C(c1ccccc1)C1CCN(C(=O)Cc2ccncc2)CC1 17730 LXEAFZZHHDVBQM-UHFFFAOYSA-N 308.381 2.746 0 40 DFAB CC(C)NC(=O)Nc1cccc(C(=O)NCC[C@@H]2CCCO2)c1 30845743 JMYGIMALYKIUCU-HNNXBMFYSA-N 319.405 2.515 0 40 DFAB COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cc(C)on1 40511289 YFSFAYBBTSFCHA-GFCCVEGCSA-N 303.362 2.623 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21 101498005 CLWACYNFCVCDFM-WFASDCNBSA-N 316.401 2.624 0 40 DFAB CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101706235 BYECFRMFHDSAGK-NSHDSACASA-N 303.383 2.602 0 40 DFAB CCOC(=O)c1c[nH]c2c(-c3ccccc3)c(CC)nn2c1=N 102752954 XUDDFZPUZAVIFP-UHFFFAOYSA-N 310.357 2.548 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)s1 33118215 MRKYUWCPPQCTQQ-SNVBAGLBSA-N 316.382 2.878 0 40 DFAB Cc1cc(C)n(C[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1 552980 UCCNIBZEJKMNEE-GFCCVEGCSA-N 317.776 2.733 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)Oc3ccccc3)cc12 22472843 ZGQMLWFRNXCCTC-GFCCVEGCSA-N 310.357 2.683 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCc2sccc2C1 22597316 FFKKROFRHYVUFN-SNAWJCMRSA-N 301.415 2.697 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(-c2cccnc2)no1 12322353 CNNGPORRJMKCBN-ZDUSSCGKSA-N 322.368 2.883 0 40 DFAB CS(=O)(=O)Cc1nc(CNc2c(F)cccc2F)cs1 79065839 BYNRCMQUABRQFA-UHFFFAOYSA-N 318.370 2.578 0 40 DFAB COCCn1cc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cn1 47876300 MBIFJRHDFVAZBA-GFCCVEGCSA-N 320.368 2.894 0 40 DFAB O=C(Nc1cccc(N2CCNC2=O)c1)NC1CCCCC1 47892820 QIEXOECKLOPJCP-UHFFFAOYSA-N 302.378 2.670 0 40 DFAB COc1ccc(-c2noc(=O)n2Cc2ccc(F)cc2)cc1 4966379 OHSPCOMQHPMFHC-UHFFFAOYSA-N 300.289 2.699 0 40 DFAB CCCNC(=O)C12CC3CC(C1)CC(C(=O)NCCC)(C3)C2 4978961 AFPRVWLTJQUNHY-UHFFFAOYSA-N 306.450 2.625 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 23995413 YINDUCYKQUQQSN-HNNXBMFYSA-N 312.344 2.910 0 40 DFAB CCn1cc(C(=O)Nc2nc(Cc3ccccc3)ns2)cn1 95397164 BXZMDWOSKRDVCV-UHFFFAOYSA-N 313.386 2.598 0 40 DFAB NC(=S)c1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 57560484 NDMCVPDHMQKDMG-UHFFFAOYSA-N 309.394 2.732 0 40 DFAB C[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccc(F)c1 84697766 GGUTYPOCOGHZGK-UGSOOPFHSA-N 318.392 2.748 0 40 DFAB COc1c(C)cccc1C(=O)NC(=S)NCc1ccccc1 9140801 FJVWKUNYFQSTTN-UHFFFAOYSA-N 314.410 2.808 0 40 DFAB COCCn1cc(NC(=O)N(CC(C)C)CC(F)(F)F)cn1 58214105 ZLLWNKQLEWPJQU-UHFFFAOYSA-N 322.331 2.582 0 40 DFAB O=C(NCCCn1cccn1)N1CCC[C@H]1c1ccsc1 44968429 XZYOHZKCZSSMEZ-AWEZNQCLSA-N 304.419 2.881 0 40 DFAB CC1(C)NC(=O)N(CCSc2nc3ccccc3s2)C1=O 28008458 JWEHFFLFZBITBK-UHFFFAOYSA-N 321.427 2.719 0 40 DFAB CSCC[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)O 2428877 DJFNSJABCOBAHJ-JTQLQIEISA-N 302.783 2.668 0 40 DFAB Cc1cccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)n1 29292414 SVJIQRMSCJXUTB-UHFFFAOYSA-N 309.369 2.765 0 40 DFAB CCCCn1nnnc1CSc1ncnc2sccc12 48324510 JRZRCHKGQPBPGV-UHFFFAOYSA-N 306.420 2.770 0 40 DFAB CCn1nnnc1S[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9113109 WUKGFWYBOACMTM-HXTFMFRQSA-N 320.462 2.959 0 40 DFAB Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1 3490645 KDDOCAGTMUZHJD-UHFFFAOYSA-N 300.343 2.657 0 40 DFAB CN1N=C(C(=O)Nc2ccccc2-c2ccccc2)CCC1=O 13008074 YPIRXEYPRJPOSK-UHFFFAOYSA-N 307.353 2.900 0 40 DFAB O=C(NCCc1ccc(O)cc1)Nc1cccc(-c2nnco2)c1 84374449 UTNLDRXTKQFHAJ-UHFFFAOYSA-N 324.340 2.806 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCSC2=S)cc1OC 39649631 HPZCLQIOEWWRPK-GQCTYLIASA-N 309.412 2.577 0 40 DFAB Cc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)on1 25462332 CYPXJPUQIZJDDV-UHFFFAOYSA-N 313.401 2.550 0 40 DFAB Cc1nc(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cs1 65467555 DWONBUNJMHLFCS-OAHLLOKOSA-N 320.389 2.733 0 40 DFAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)C(F)(F)F 20611324 WKAAMRHULPEHSV-UHFFFAOYSA-N 302.281 2.598 0 40 DFAB CC1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 6552611 JDVCXHKMTIWFDU-UHFFFAOYSA-N 304.390 2.518 0 40 DFAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccco1 95449012 GLOZXWUYQCQVGX-LBPRGKRZSA-N 322.723 2.607 0 40 DFAB Cc1ccc(O)c(C(=O)OCC(=O)N[C@@H](C)c2cccs2)c1 5679111 RQGUYBUORYCPAB-NSHDSACASA-N 319.382 2.796 0 40 DFAB Cc1nnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1 14848147 KVGDURPNKDIUAA-UHFFFAOYSA-N 314.370 2.991 0 40 DFAB COc1ccccc1C[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 67016482 MWQSKBIVPCCVSM-CYBMUJFWSA-N 314.389 2.905 0 40 DFAB CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)c(F)c1 9482352 VUHPXFDQEAWRQM-UHFFFAOYSA-N 321.377 2.744 0 40 DFAB O=C(Nc1cc(Cl)ccc1O)c1ccc(-n2cncn2)cc1 67139028 RAHFGTLVQKCGHP-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409232146 OFXJVIQLQRQLIP-RVDMUPIBSA-N 308.337 2.788 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)CCc2ccsc2)cc1 71799937 OUYDRENRIZNGBO-UHFFFAOYSA-N 316.426 2.998 0 40 DFAB C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)C1CCC1 95420870 LZRHGPMELVYQED-KDOFPFPSSA-N 316.445 2.874 0 40 DFAB CS[C@H]1CCCC[C@H]1NC(=O)NCc1cccnc1N(C)C 96417630 GQWZTSMLNOYQLV-KGLIPLIRSA-N 322.478 2.621 0 40 DFAB CC[C@@H](NC[C@@H]1CCCS1(=O)=O)c1cc(C)ccc1OC 90467195 POBNOSXWKDHUQM-DZGCQCFKSA-N 311.447 2.622 0 40 DFAB CC(C)c1cnc(NC(=O)[C@H](C(C)C)N2CCCC2=O)s1 96425803 FGGUHZPDMVUEEH-ZDUSSCGKSA-N 309.435 2.852 0 40 DFAB OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 80687413 CWMDADCMPRVKLV-UHFFFAOYSA-N 318.377 2.781 0 40 DFAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1Cc2ccccc2O1 9575743 LPDJDAAMNPIKAA-QGZVFWFLSA-N 322.364 2.756 0 40 DFAB Cc1ccnn1-c1cccc(NC(=O)NC2CCC(O)CC2)c1 71857049 KSLLDFZSWBUGEO-UHFFFAOYSA-N 314.389 2.606 0 40 DFAB CNC(=O)c1ccc(CN(C(=O)OC(C)(C)C)C2CC2)cc1 71888606 GBAAEOIYOLZZEW-UHFFFAOYSA-N 304.390 2.946 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1cnc(C(C)(C)C)nc1 95403873 YFAVWEFJAQFKIW-LLVKDONJSA-N 308.426 2.693 0 40 DFAB Cn1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)n1 69384698 VPPOMIDLJJKIGY-UHFFFAOYSA-N 302.721 2.981 0 40 DFAB CCN(CC)CCCNS(=O)(=O)C1=Cc2ccccc2CC1 8394127 BXHYLZLVVRCZQQ-UHFFFAOYSA-N 322.474 2.625 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN2CCOc2ccc(F)cc2)n1 69452944 PCLQUGDYBRDGMC-INIZCTEOSA-N 318.396 2.577 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)C[C@H](O)C1CC1 95411422 BVLPQLAYFFWTSC-NVGVWMPQSA-N 320.408 2.861 0 40 DFAB CCOc1ccc(/C=C(/Sc2nc(C)n[nH]2)C(=O)O)cc1 17252662 IPCCUKFWPQKAQQ-XYOKQWHBSA-N 305.359 2.730 0 40 DFAB CCc1cc(NC(=O)Cc2csc(-c3ccoc3)n2)[nH]n1 71915900 MMXPDZFQWKJIMK-UHFFFAOYSA-N 302.359 2.870 0 40 DFAB CCc1noc(C)c1C(=O)OCc1cc2ccccc2[nH]c1=O 71904824 JCKWFYRGYUHGSC-UHFFFAOYSA-N 312.325 2.744 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc(C)ccc2N2CCCC2)CCO1 71909733 JXUAJVLALWDBBN-OAHLLOKOSA-N 302.418 2.846 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccccc1C(C)=O 17730102 HZCCZDTYFROMDJ-UHFFFAOYSA-N 305.355 2.699 0 40 DFAB C1CCC(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1 69877744 CNABDBPVELAHHR-HNNXBMFYSA-N 304.438 2.691 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 69843032 LUUOMHGTPLIXLN-SXSDINLZSA-N 314.429 2.711 0 40 DFAB CC(=O)Nc1ccc(CC(=O)Oc2ccc3c(c2)OCO3)cc1 18114586 SZANOUPXYFWWHV-UHFFFAOYSA-N 313.309 2.522 0 40 DFAB Cc1cc(C)nc(-n2[nH]c(C)c(CCc3ccccc3)c2=O)n1 18177430 PRDLUPLAMYQUKX-UHFFFAOYSA-N 308.385 2.666 0 40 DFAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)NCCN(C)C 97052158 XCHQTGNTNUMCNQ-UHFFFAOYSA-N 315.421 2.814 0 40 DFAB Cc1nc2ccccc2c(N2CCC(N3CCNC3=O)CC2)c1C 97085923 NSSCXSZCNAPFOM-UHFFFAOYSA-N 324.428 2.846 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)o1 72235416 QEMYZGZLUVJAFX-ZDUSSCGKSA-N 302.378 2.528 0 40 DFAB Cc1ccsc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97115122 FDQNDEZHXGPZHP-UHFFFAOYSA-N 302.403 2.790 0 40 DFAB Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 74715141 XDEZDZMGKYFPTJ-UHFFFAOYSA-N 322.320 2.520 0 40 DFAB C[C@H](NC(N)=O)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 89420145 BDNIDANCTZWQOH-FCBZUWDESA-N 315.417 2.528 0 40 DFAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)c1ccc(N2CCCC2)nn1 75147675 HCADOTJKRALAIW-UONOGXRCSA-N 302.422 2.583 0 40 DFAB COCCN(C)c1ccccc1CNC(=O)c1cccs1 75145139 RLSCFPNIXQSYCC-UHFFFAOYSA-N 304.415 2.761 0 40 DFAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccc(F)cc1F 89644463 POEGWXCRFRPWBX-UHFFFAOYSA-N 321.279 2.989 0 40 DFAB CCOc1nnc(CN2CCC[C@@H]2c2noc(C(C)C)n2)s1 75581793 OIGOXDDRONHMFG-SNVBAGLBSA-N 323.422 2.780 0 40 DFAB CCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@@H]2C)n1 76056320 FLGLRLVYFCNDTL-MELADBBJSA-N 322.453 2.710 0 40 DFAB CN1c2ccccc2[C@@H](N)c2ccc(Cl)cc2S1(=O)=O 21985496 IGSJOGMOHGCKOZ-CQSZACIVSA-N 308.790 2.527 0 40 DFAB CCO[C@@H](CC)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 65588235 MKPPBEOYYBSABO-CABCVRRESA-N 308.422 2.656 0 40 DFAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)C1CC1 188334426 ZXAGFHBVYUDZKX-HZMBPMFUSA-N 315.822 2.594 0 40 DFAB CCc1ccc(OCC(=O)NCCOc2ccc(F)cc2)cc1 30132043 MFLXJDGCMHUGDZ-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB CCCN(C[C@H]1CCCCO1)C(=O)N[C@H](C)c1cn(C)nc1C 78611377 VZFDHGAKBJVZDE-UKRRQHHQSA-N 322.453 2.780 0 40 DFAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCN(C)C)cc2)C1 30946687 ZFKLZPWDISNZDG-MRXNPFEDSA-N 317.477 2.600 0 40 DFAB CC(C)n1cc(Br)cc1C(=O)NC1=NCCS1 79336813 SPSXPBWSTDXXHA-UHFFFAOYSA-N 316.224 2.664 0 40 DFAB CN1CC[C@@H](Cc2cccc(NCCC3(O)CCCC3)n2)C1 72366205 PEHFUPRJUDORII-HNNXBMFYSA-N 303.450 2.683 0 40 DFAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc(C(C)C)on1 72242586 ZQYYVQMQCNFAOF-CYBMUJFWSA-N 300.362 2.704 0 40 DFAB COc1ccc(NC(=O)N[C@@H](C)c2nc(C)no2)c(Cl)c1 78394923 CATJBCCHZYBEIC-ZETCQYMHSA-N 310.741 2.923 0 40 DFAB Cc1ccccc1OCC(=O)NCCc1ccc([C@H](C)O)s1 225687145 ZDJLPYWBPVBZNI-ZDUSSCGKSA-N 319.426 2.848 0 40 DFAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1 225318096 OHNZXBOTDYCJNB-UHFFFAOYSA-N 305.280 2.692 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@@H]2CCCN(C(C)=O)C2)n1 225565864 QWHWBDJEPVSRAC-GFCCVEGCSA-N 324.446 2.710 0 40 DFAB COC1(CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)CCCC1 570481920 BGVVKCMKQQGGOY-CYBMUJFWSA-N 305.422 2.852 0 40 DFAB Cc1cc(CNc2ccccc2S(=O)(=O)C(F)(F)F)on1 44995651 FQUHENPMMYHKLY-UHFFFAOYSA-N 320.292 2.889 0 40 DFAB COc1ccc([C@H](C)CCNC(=O)[C@@H](C)n2cccn2)cc1 96423366 PMLYWYZEFZUDNN-ZIAGYGMSSA-N 301.390 2.763 0 40 DFAB COc1ccc2c(c1)c(C(=O)Nc1nc(C(C)C)n[nH]1)cn2C 95474669 UZJIQDWZJGTSFG-UHFFFAOYSA-N 313.361 2.681 0 40 DFAB CS(=O)(=O)c1ccc(NCC[C@H](O)c2ccccc2)cc1 96501990 FTTGHFJNELHFAV-INIZCTEOSA-N 305.399 2.626 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)NCc1ccco1 96431323 JLBAZELCWUODRS-GFCCVEGCSA-N 304.346 2.555 0 40 DFAB COc1ccc(-c2cc(C(=O)NCCc3ccco3)n[nH]2)cc1 95474097 CWTOXWUUCJTVJW-UHFFFAOYSA-N 311.341 2.651 0 40 DFAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2Cc1ccco1 96252248 KJSNAHYNOBHSAC-CABCVRRESA-N 301.390 2.591 0 40 DFAB C[C@]1(C(=O)NCc2ccco2)CC(c2ccccc2F)=NO1 96192490 XJJUIQBMXBVECN-MRXNPFEDSA-N 302.305 2.618 0 40 DFAB COCCc1nnc(S[C@@H]2CCCCc3ccccc32)n1N 96447825 ICFKVWJJBQHKMB-CQSZACIVSA-N 318.446 2.741 0 40 DFAB CN(C)CC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21 248137490 SEBZVTRMBAMRCT-INIZCTEOSA-N 302.397 2.531 0 40 DFAB COc1ccc(C[C@H](C)N[C@@H]2CCCC[C@H]2CO)cc1OC 245316909 LFESKTRHUIYSTA-CWRNSKLLSA-N 307.434 2.776 0 40 DFAB CO[C@H]1CCN(C(=O)CCc2ccccc2F)C[C@@]12CCCO2 257227526 FPTQXYGOUQEVDR-WMZOPIPTSA-N 321.392 2.555 0 40 DFAB Cc1nnc([C@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)o1 624302337 JBUOIBVYAQNWPP-VIFPVBQESA-N 313.283 2.571 0 40 DFAB COc1ccccc1C[C@H](NC(=O)N1CCCCO1)C(C)C 283754659 ZRCABLRHKHPVPF-HNNXBMFYSA-N 306.406 2.999 0 40 DFAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2C(=O)OCCF 585108956 HTCYEADYKFEKSI-SNPRPXQTSA-N 320.364 2.529 0 40 DFAB Cc1cc(C)c(CSc2nnc(Cn3cncn3)o2)c(C)c1 67231627 ZDTLSBJLKBERFT-UHFFFAOYSA-N 315.402 2.927 0 40 DFAB Brc1ccc(Cc2noc([C@@H]3CCCN3)n2)cc1 36925362 FTHILGFBUNSEFV-NSHDSACASA-N 308.179 2.847 0 40 DFAB in-vitro C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 38082770 KRJYPPUWSZUZQI-RBABLOILSA-N 311.491 2.616 0 40 DFAB C[C@H]1CO[C@H](C)CN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 40082886 KGPIMOXXMQRSRH-WDEREUQCSA-N 319.792 2.980 0 40 DFAB O=C(c1cccc[n+]1[O-])N1CCC(Cc2cccc(F)c2)CC1 77289059 CGHTZZGEOCGRRP-UHFFFAOYSA-N 314.360 2.554 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccccc1 40496813 BOYGACROGBODMV-ZDUSSCGKSA-N 303.383 2.629 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c(=O)[nH]1 75120811 JOUZYORVQQLOQH-HNNXBMFYSA-N 314.360 2.670 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNc1ccc(C(=O)N(C)C)cn1 75610810 LRNKLZOHMYGVRC-UKRRQHHQSA-N 305.422 2.791 0 40 DFAB c1ccc(OCCNC2CCN(c3nccs3)CC2)cc1 97037001 VQXFXEKOUQMQRU-UHFFFAOYSA-N 303.431 2.781 0 40 DFAB O=C(c1ccc(Cl)s1)N1CC[C@@H](Oc2cnsn2)C1 670848486 TUOCRQSVCCQLJH-SSDOTTSWSA-N 315.807 2.547 0 40 DFAB Cc1cccc(NC(=O)N2CCC[C@@H]2CO)c1Br 95945555 KYGOZFLYJHPVNW-SNVBAGLBSA-N 313.195 2.746 0 40 DFAB Nc1ccccc1-c1nnc(-c2cc3ccc(O)cc3oc2=O)o1 952963471 SZIGDAPBHJVHFM-UHFFFAOYSA-N 321.292 2.798 0 40 DFAB Cc1nccn1CCNC(=O)c1cc(C2CCCCC2)no1 12143777 DRQKGYNFEUFWAX-UHFFFAOYSA-N 302.378 2.657 0 40 DFAB CCCN(CCC)S(=O)(=O)c1ccc2nc(N)sc2c1 12180934 QKWBAJZXYZCTRE-UHFFFAOYSA-N 313.448 2.689 0 40 DFAB Cn1ncc2c1CCCN(C(=O)c1cc3c(s1)CCCC3)C2 12236353 FKXXRAJIVVTBOH-UHFFFAOYSA-N 315.442 2.949 0 40 DFAB C[C@@H]1NC(=S)N(c2ccc(OCc3ccccc3)cc2)C1=O 15569262 DTIYAUXWAVKQOH-LBPRGKRZSA-N 312.394 2.875 0 40 DFAB Nc1nc2c(sc3nc(-c4cccs4)ccc32)c(=O)[nH]1 16430734 HGGDMJZQXRBKRJ-UHFFFAOYSA-N 300.368 2.844 0 40 DFAB CC(C)c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CC23CCC3)n1 19452500 OTVMFJQISZZWCK-JSGCOSHPSA-N 315.417 2.747 0 40 DFAB Cc1cccnc1CN1CC[C@](O)(COc2cccc(F)c2)C1 643914602 RTGZATJFCUARCJ-GOSISDBHSA-N 316.376 2.545 0 40 DFAB OC[C@]12CCCC[C@H]1CN(c1ncnc3ccc(F)cc13)C2 1888866590 XJTNDEMWWJAGHI-YVEFUNNKSA-N 301.365 2.758 0 40 DFAB CCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ncn1 1888882077 YAWKYEIFUAFYNR-UHFFFAOYSA-N 311.370 2.810 0 40 DFAB Cc1sc2ncnc(N3CC(Cn4ccnc4C)C3)c2c1C 1889138808 LUOJIKNPTKTZMJ-UHFFFAOYSA-N 313.430 2.949 0 40 DFAB C[C@H](c1cccnc1)N(C)C[C@@H](O)COCc1ccccc1 110594405 FFJQATJQARTNOE-CRAIPNDOSA-N 300.402 2.652 0 40 DFAB c1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCC3 23145384 OHVMRCYDVUDFAI-UHFFFAOYSA-N 317.414 2.523 0 40 DFAB CCOC[C@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2cn(C)nc21 1565548964 KAXMOYPKHCGRAZ-CRAIPNDOSA-N 317.433 2.629 0 40 DFAB CCN(CC)CCCNC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163507 GWYHNERNNWXBEA-UHFFFAOYSA-N 315.417 2.507 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccccc1)C(=O)O 389661 BUGQHORRADGONS-QGZVFWFLSA-N 322.364 2.523 0 40 DFAB biogenic,in-vitro C[C@@H]1CN([C@H](C)C(=O)Nc2cccc3ncccc23)C[C@@H](C)O1 25413483 FMCIVHANBUYTSD-MGPQQGTHSA-N 313.401 2.671 0 40 DFAB COc1cc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)ccn1 249047480 HOQSPBWDARAHSL-DGADGQDISA-N 315.417 2.714 0 40 DFAB CCCNC(=O)CN(C)C(=O)/C=C/c1ccc(C(C)C)cc1 73062593 HAQQCANEVCQCJM-DHZHZOJOSA-N 302.418 2.808 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(-n3nnnc3C)c2)cc1F 40090914 FCQHSRZIZHBFKD-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N(Cc1ccco1)C1CC1 40059561 CXHWRNNUOBFSGY-UHFFFAOYSA-N 313.325 2.911 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-c2ccccc2)cc1 30706625 OWQTVUAIJOQXBO-CYBMUJFWSA-N 319.364 2.928 0 40 DFAB NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 21206100 MEXHXCIJETXZBL-UHFFFAOYSA-N 301.321 2.888 0 40 DFAB O=C(NCc1ccccc1)NC[C@H](O)c1ccc(Cl)cc1 32779493 QVAPODDJWSLHFA-HNNXBMFYSA-N 304.777 2.873 0 40 DFAB CN1CCN(C(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 32819217 MJWSDJJHBHOXMC-SFHVURJKSA-N 312.388 2.884 0 40 DFAB CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 523962 PISBWVJTQBOEIQ-IIBYNOLFSA-N 305.314 2.994 0 40 DFAB O=c1c2ccccc2nc(-c2ccco2)n1CCCn1ccnc1 538239 SMRWPOHCHCSTFU-UHFFFAOYSA-N 320.352 2.943 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(O)c1 22228652 YHYPXAUUZYUHFX-UHFFFAOYSA-N 310.353 2.845 0 40 DFAB Cn1cnnc1SC[C@@H](O)COc1ccccc1C(C)(C)C 22429722 SBIIJXPQAHCRID-LBPRGKRZSA-N 321.446 2.645 0 40 DFAB COc1ccccc1OCC(=O)Nc1cccc(NC(C)=O)c1 3608709 GMYFGRCYNUWLBX-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)C[S@@](=O)C2 4224644 BRERIJULLDFVDN-JOCHJYFZSA-N 317.414 2.600 0 40 DFAB COc1ccc(CNC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 7556595 BOQDIUWHDCFJDP-CHWSQXEVSA-N 307.463 2.837 0 40 DFAB Cc1cc(C(=O)OCC(=O)NC2CCCC2)c(C)n1C1CC1 7575303 RAFQFRQYMYGCAM-UHFFFAOYSA-N 304.390 2.655 0 40 DFAB S=C(NCCc1cn2ccccc2n1)NC1CCCCC1 55353045 ODRCEBPZFWUXCB-UHFFFAOYSA-N 302.447 2.674 0 40 DFAB COc1cc(C=O)ccc1OCCCSc1nnc(C)o1 8731609 OPQZCPXMRXHJRZ-UHFFFAOYSA-N 308.359 2.760 0 40 DFAB CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548577 NTONCXDMAMDXFX-UHFFFAOYSA-N 322.361 2.975 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OC[C@@H]2CCCO2)cc1 56185165 QYWHZSMFHAWJMK-VBQJREDUSA-N 320.433 2.960 0 40 DFAB Cc1ccccc1-n1nnn(CN2CCC(C)CC2)c1=S 3298107 VWLDZDTVGUDNSJ-UHFFFAOYSA-N 303.435 2.796 0 40 DFAB Cc1cc(Br)cc(C)c1NC(=O)N[C@H](C)CO 57774322 GZGPMHJZGOOYRP-SECBINFHSA-N 301.184 2.568 0 40 DFAB CCCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 2095091 QBMTVYKQGOENGU-OAHLLOKOSA-N 318.373 2.619 0 40 DFAB Cc1nn2c(=O)cc(CN(C)c3ccc(C)c(C)c3)nc2s1 58173393 PJXGQUJVSSNBJH-UHFFFAOYSA-N 314.414 2.713 0 40 DFAB CC(=O)Nc1cccc(CN2CC[C@@H](Oc3ccccn3)C2)c1 84796877 BZDBYTFEQOTGFT-QGZVFWFLSA-N 311.385 2.693 0 40 DFAB C[C@@H]1CN(C(=O)CSC2=Nc3ccccc3CS2)CCO1 84715082 MEKHWGYVEZIJAT-LLVKDONJSA-N 322.455 2.901 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1cnc(C)cn1 58227669 FZLBCHWIFYELLU-HNNXBMFYSA-N 311.385 2.641 0 40 DFAB Cc1ccc(CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 21972911 DHSRZRUUFINZDT-INIZCTEOSA-N 311.381 2.884 0 40 DFAB O=C(O)CC1(CC(=O)Nc2ccccc2CO)CCCCC1 12771050 IXEVDIBFFHNGJG-UHFFFAOYSA-N 305.374 2.933 0 40 DFAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 9048545 RAOVOPCZHBWHCC-UHFFFAOYSA-N 318.398 2.562 0 40 DFAB COc1ccccc1[C@@H](NC(=O)c1ccco1)c1nccn1C 48312798 AEWWKJBGVQAKOD-OAHLLOKOSA-N 311.341 2.541 0 40 DFAB COc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1O 48361521 DALRYLMUJLHCRN-AWEZNQCLSA-N 304.733 2.908 0 40 DFAB COC(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C 48369008 HTYALTUJARZGSQ-NSHDSACASA-N 313.419 2.528 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)c1 12869959 ZCAFHAXKHIKEDD-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB Clc1snnc1CN1CCC[C@H]1c1noc(C2CC2)n1 72300042 IMHOZVHACDFLRP-VIFPVBQESA-N 311.798 2.789 0 40 DFAB Cc1n[nH]c(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1-c1ccccc1 71282995 LJGNJTRSHOOMFC-STQMWFEESA-N 313.357 2.680 0 40 DFAB COc1ccc(CNC(=O)c2c(F)cccc2F)cc1C(=O)O 13392893 OHMYXJWWGULYEZ-UHFFFAOYSA-N 321.279 2.602 0 40 DFAB O=C(c1ccccn1)N1CCn2c(-c3cccc(F)c3)cnc2C1 306141468 VXDFUMSENPOZKQ-UHFFFAOYSA-N 322.343 2.740 0 40 DFAB C/C=C/C[S@@](=O)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 95417627 RZBSEIJCXRRAJI-KJHROPHESA-N 315.385 2.809 0 40 DFAB CNC(=O)c1cccc(CN[C@@H](C)Cc2ccccc2OC)c1 95420946 WAAQCMFZJPSVCG-AWEZNQCLSA-N 312.413 2.776 0 40 DFAB O=C(CCC(=O)CCN1CCCCC1)CCN1CCCCC1 4337654 HVLAPBNSKSHPTL-UHFFFAOYSA-N 308.466 2.657 0 40 DFAB CSc1ccc(CNC(=O)Cc2cn3ccccc3n2)cc1 65758883 RLHBPYANKHKMMY-UHFFFAOYSA-N 311.410 2.915 0 40 DFAB Fc1ccc2c(c1)[C@H](N[C@H]1CCc3[nH]ncc3C1)CCCO2 90455129 FVQJTDJIXALFKE-XJKSGUPXSA-N 301.365 2.910 0 40 DFAB COc1cccc(C(=O)Nc2ccccc2-c2nncn2C)c1 68727202 YFPGPSWJFWPLGM-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB O=C(COCc1nc2ccccc2s1)Nc1nccs1 8060569 RJPLBJDDQLMVQO-UHFFFAOYSA-N 305.384 2.908 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3F)cc2NC1=O 8014763 IDVGJGLTOUBGJH-JTQLQIEISA-N 314.316 2.726 0 40 DFAB COc1ccc(CNC(=O)CCOc2ccccc2OC)cc1 8156016 YYFRNFRKKJPIKF-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB COc1cccc(CNC(=O)c2cccc(OC)c2OC)c1 9512457 KVANXDZXXZTLSE-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB CO[C@@H](C(=O)N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 71882862 SCHKXNWKZMDYHE-FUHWJXTLSA-N 310.397 2.769 0 40 DFAB COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(C(C)C)cc1 95400049 LQJIQYQFEJOJDC-HNNXBMFYSA-N 321.442 2.931 0 40 DFAB CC(C)[C@H](Nc1ncc(Cl)cn1)c1nnc2ccccn12 95415031 CKFZTEFZSXWLTN-LBPRGKRZSA-N 302.769 2.982 0 40 DFAB CN(c1ccccc1C(=O)O)S(=O)(=O)/C=C/c1ccccc1 19943935 SSNGCZQQWCNFMR-VAWYXSNFSA-N 317.366 2.822 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccsc1)C(=O)Nc1nccs1 91842486 PENIFUOJKDYTMQ-LLVKDONJSA-N 323.443 2.988 0 40 DFAB CC(C)C[C@H](C(=O)N[C@H](C)c1nccs1)N1CCCCC1=O 87254075 DPBSOTPBQCDLDY-CHWSQXEVSA-N 323.462 2.748 0 40 DFAB Cc1nc(C)c(COC(=O)[C@H]2CCCN2c2nccs2)s1 97001483 WBRGSXOLBYFSRC-LLVKDONJSA-N 323.443 2.929 0 40 DFAB CCc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)o1 97018650 AIMFJUSQZQSPTP-CYBMUJFWSA-N 301.342 2.515 0 40 DFAB C[C@@H](NC(=O)N1CCCC[C@H]1CCO)c1ccc(F)c(F)c1 97034260 SECVAQQDPYOWJS-YPMHNXCESA-N 312.360 2.972 0 40 DFAB Cc1cc(NC(=O)COc2ccc(-c3ccccc3)nc2)n(C)n1 97046874 VMGCKIBFYVCDCD-UHFFFAOYSA-N 322.368 2.808 0 40 DFAB C[C@H]1CN(C(=O)COC2CCCCC2)c2ccccc2NC1=O 72292729 BVXOLUPBJSCLDJ-ZDUSSCGKSA-N 316.401 2.957 0 40 DFAB COc1c(Br)cccc1CCNC(=O)c1ccc[nH]1 89290238 MANPEDZYLVVXAL-UHFFFAOYSA-N 323.190 2.758 0 40 DFAB O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC=CC1 86246408 HPQDIDLBHGSJEV-UHFFFAOYSA-N 300.402 2.548 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2ccc(F)c(C)c2)cc1 89587723 WGDWUXHBVQPXMD-UHFFFAOYSA-N 301.317 2.755 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@H]1CCC[C@H]1O 89548221 QKSZKMLFPNYCCH-VXGBXAGGSA-N 320.414 2.945 0 40 DFAB CC(C)Oc1ccc(CNC(=O)N2CCC[C@@H](CO)C2)cc1F 75133511 FMHZONUOQUJUND-CQSZACIVSA-N 324.396 2.527 0 40 DFAB COC(=O)[C@@H]1CCCCN1Cc1noc(-c2ccccc2C)n1 89696902 BBOFVJNMDRGOJN-AWEZNQCLSA-N 315.373 2.573 0 40 DFAB CS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)C1 110646134 SJAXVOMRXDPIOT-HUUCEWRRSA-N 310.438 2.658 0 40 DFAB O=C(C1CC1)N1CCC2(CC1)Cc1ncc(-c3cccnc3)n1C2 306138428 RXHGSSZQCXEBCC-UHFFFAOYSA-N 322.412 2.520 0 40 DFAB CC(C)CC(=O)N1CC2(CCN(C[C@@H]3CC(C)(C)CO3)CC2)C1 1050411914 RPJIZKVLCVEOQZ-INIZCTEOSA-N 322.493 2.772 0 40 DFAB Cc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1Cl 73345957 HFDPMECYEOAMON-UHFFFAOYSA-N 315.822 2.944 0 40 DFAB O=C(Cn1cccn1)N[C@H]1CCc2c1ccc(Cl)c2Cl 79093451 DKGNQCZPEVWDRR-LBPRGKRZSA-N 310.184 2.994 0 40 DFAB C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203958 KAWJOCDWQLGMAB-KGLIPLIRSA-N 320.437 2.774 0 40 DFAB OCCN(Cc1ccc(Br)cn1)c1ccccc1 174829583 KQKIHDHPNDKYIO-UHFFFAOYSA-N 307.191 2.843 0 40 DFAB CSCC[C@H](C)NC(=O)NCc1cccc(-n2ccnc2)c1 77666336 UGLLBKHYNKYOTI-ZDUSSCGKSA-N 318.446 2.813 0 40 DFAB COc1ccc(N[C@@H](C)c2ccccc2)cc1OCC(N)=O 76316775 JJLUEOFWXCFQEE-LBPRGKRZSA-N 300.358 2.732 0 40 DFAB Cc1ccc(NC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)c1 77658492 HNHHMHBRLDLRDK-KBPBESRZSA-N 324.446 2.781 0 40 DFAB CC(C)n1cnnc1SCCn1cc(Br)cn1 78874373 SWJFFDTZOWTQBU-UHFFFAOYSA-N 316.228 2.610 0 40 DFAB CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 78023863 SRQGETAVXDBHNE-CZUORRHYSA-N 314.410 2.584 0 40 DFAB CSCC[C@@H](C)NC(=O)NCc1cccc(-n2ccnc2)c1 77666337 UGLLBKHYNKYOTI-CYBMUJFWSA-N 318.446 2.813 0 40 DFAB COCCCNC(=O)C1CCN([C@@H](C)c2cccc(C)c2)CC1 75644434 ISSWJNHBBBUXQI-INIZCTEOSA-N 318.461 2.921 0 40 DFAB Cc1[nH]ncc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 44921454 VAEWUPWZTXOCQQ-UHFFFAOYSA-N 314.349 2.614 0 40 DFAB Nc1ncncc1-c1noc([C@@H]2CC[C@@H]2c2ccc(F)cc2)n1 528168680 NVQWBGHBLCLUCM-VXGBXAGGSA-N 311.320 2.909 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(Br)o1 44317342 DQZIXBCIGZZDTB-VIFPVBQESA-N 324.178 2.583 0 40 DFAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 222883620 QQUQRPFEJZZDRC-CABCVRRESA-N 300.431 2.803 0 40 DFAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccsc3)C2)nn1 225462053 ZQKXJAUXYCGPRP-CYBMUJFWSA-N 303.387 2.530 0 40 DFAB Cc1noc(C)c1NC(=O)[C@@H](CC(C)C)N1CCCCC1=O 87208982 ALFJOFYDIKLNBL-CYBMUJFWSA-N 307.394 2.657 0 40 DFAB O=C(/C=C/c1ccco1)N1CC[C@H](N2CCc3ccccc3C2)C1 225684171 UNXDAGJTOLHXAX-DVBCCOPCSA-N 322.408 2.952 0 40 DFAB CC(C)N1CCC[C@H](SCC(=O)Nc2ccccc2)C1=O 225690845 CZOJIRBSUNAPOP-AWEZNQCLSA-N 306.431 2.758 0 40 DFAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@H](c3ccccc3)CO2)C1 96072131 QXEHEMABAILCEY-FXAWDEMLSA-N 322.408 2.799 0 40 DFAB Nc1c(Br)cc2c(c1Br)NC(=O)CC2 95829707 CCVUHWUNSKNKQD-UHFFFAOYSA-N 319.984 2.679 0 40 DFAB COCc1csc(NC(=O)N[C@@H](C)CCc2cccn2C)n1 96435549 NDMUEUAPANIOPD-NSHDSACASA-N 322.434 2.771 0 40 DFAB CC1(C)[C@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@H]21 96434018 YZPGDESBKULRQV-OKILXGFUSA-N 300.406 2.802 0 40 DFAB c1csc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c1 96046110 NECVWDMPOPMNTI-APHBMKBZSA-N 301.415 2.890 0 40 DFAB Cc1csc(CN2CCC3(CC(Nc4ncccn4)C3)C2)n1 247946190 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CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCNCC2 276716340 XGTLHVUHOGOPQQ-SJORKVTESA-N 318.486 2.779 0 40 DFAB CC(C)c1ccc(C(=O)NCc2cc(O)nc(S)n2)cc1 585140372 CMXOYCNXZSHQNN-UHFFFAOYSA-N 303.387 2.524 0 40 DFAB CN(C)CC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1 585140991 NICGSGQAVBJKBZ-UHFFFAOYSA-N 301.312 2.731 0 40 DFAB CC(C)N(C)S(=O)(=O)NC1CCC(c2ccccc2)CC1 64944240 HYFQIKIRDISKOE-UHFFFAOYSA-N 310.463 2.887 0 40 DFAB Cc1cccc(OC[C@]2(O)CCN(Cc3cccnc3C)C2)c1 585273265 BMLOVDOJSKINGA-IBGZPJMESA-N 312.413 2.714 0 40 DFAB OCc1cc2cccc(I)c2nc1Cl 685936907 CCLXODWYGSQEBV-UHFFFAOYSA-N 319.529 2.985 0 40 DFAB C[C@@H]1CN([C@H](C(=O)N2CCCC2)c2ccccc2)CC(C)(C)O1 68477385 UHHWFKBHMIHRNL-WBVHZDCISA-N 316.445 2.849 0 40 DFAB CC[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 69476112 PTJWLTCVOXGCER-HOCLYGCPSA-N 315.417 2.766 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)c2ccccc2O1 69631792 HXXCHYXBQAMGOH-LLVKDONJSA-N 317.776 2.961 0 40 DFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2nnc3ccccn23)C1(C)C 53472420 DPOAVECCHGQNHO-CJNGLKHVSA-N 312.417 2.626 0 40 DFAB OC1(Cc2c(Cl)cccc2Br)CCNCC1 1083806267 AYZAPIYWMKXTSJ-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB O[C@@]1(CN[C@@H](Cc2ccccn2)C2CC2)CCc2ccccc21 90795628 HHSQGECRIDAIKZ-VQTJNVASSA-N 308.425 2.826 0 40 DFAB Cc1nn2c(NCCO)c3c(nc2c1-c1ccccc1)CCCC3 12113406 MYWJWZSONYBFJP-UHFFFAOYSA-N 322.412 2.988 0 40 DFAB COc1ccc(-c2cc(CC(=O)NCc3ccncc3)no2)cc1 12634125 LHVKCDAWTMWBEZ-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB CO[C@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1cccc(C)c1 643913865 JTXFSTPCJVAAPU-MOPGFXCFSA-N 313.445 2.808 0 40 DFAB CC(C)N(CCNC(=O)c1c[nH]nc1-c1ccccc1)C(C)C 22623403 BMAGFCWOZLWYEC-UHFFFAOYSA-N 314.433 2.925 0 40 DFAB Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc(O)cc1 5061165 UHMKXVBFJDBMAE-UHFFFAOYSA-N 313.353 2.516 0 40 DFAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1F 9861712 QWVGSBKJTCZIOL-JTQLQIEISA-N 316.311 2.587 0 40 DFAB CCOc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 12896308 RPTXRRRVTOEZCV-CYBMUJFWSA-N 313.353 2.655 0 40 DFAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ncccc3O)n2)c(C)c1 22263869 FUEAFEVQUWRKQW-UHFFFAOYSA-N 323.356 2.545 0 40 DFAB CCn1ncc(Br)c1C(=O)NC1CCCCC1 468327 CPZRVCALUPQSOP-UHFFFAOYSA-N 300.200 2.728 0 40 DFAB CC(C)(CNC(=O)C(=O)Nc1ccccc1)c1ccsc1 1565519112 CJNZJFWDJSKVEL-UHFFFAOYSA-N 302.399 2.781 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)N3CCCCCC3)CC2=O)cc1 5123311 JITHRFNPGCBOKX-OAHLLOKOSA-N 315.417 2.686 0 40 DFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C1CCCC1 5339264 PCOUIHXVLNYZAL-UHFFFAOYSA-N 322.430 2.664 0 40 DFAB C[C@H](N(C)C(=O)c1cccc(NS(C)(=O)=O)c1)C(C)(C)C 30423972 KRRONHFRJKAIHE-NSHDSACASA-N 312.435 2.565 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NCc1ccccc1CO 50004082 PVWSFTJPDQLZJD-UHFFFAOYSA-N 308.381 2.758 0 40 DFAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 100794069 JSJWVKWNOKQEBJ-SLEUVZQESA-N 307.353 2.588 0 40 DFAB O=C(NCCN1CCCCCC1=O)c1csc2c1CCCC2 32309273 IOBLENFMBVFAKR-UHFFFAOYSA-N 320.458 2.759 0 40 DFAB COc1ccc(Cl)cc1-c1cc(NC(=O)[C@H]2CCOC2)[nH]n1 101678090 KBKLHNWNJZRHTP-VIFPVBQESA-N 321.764 2.714 0 40 DFAB COC(=O)CCC[S@](=O)c1ccc(Br)cc1 40958353 DENQGBKLNKIPCP-MRXNPFEDSA-N 305.193 2.510 0 40 DFAB in-vitro CN1CCC[C@H]1CNC(=O)c1ccccc1Oc1cccnc1 52148384 GDCCOHPGXAUXHF-AWEZNQCLSA-N 311.385 2.698 0 40 DFAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc(Cl)c[nH]1)C(C)C 32777196 PSEGTVJDVNEYME-SNVBAGLBSA-N 300.786 2.859 0 40 DFAB COc1ccc2[nH]cc(C(=O)CN3CCCC[C@H]3CCO)c2c1 485921 MQSSOANFWQBVFB-ZDUSSCGKSA-N 316.401 2.596 0 40 DFAB biogenic COc1ccccc1C(=O)Nc1cccc(-c2nncn2C)c1 33126602 XSCKSIAIAAADNC-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB CN1CCN(C(=O)Cc2ccsc2)[C@H](c2ccccc2)C1 53286716 JCSYCVXDJNNMDT-INIZCTEOSA-N 300.427 2.806 0 40 DFAB Cc1nc(CCNC(=O)COc2ccc(Cl)cc2)cs1 22527137 VDXARGMODHHPAT-UHFFFAOYSA-N 310.806 2.843 0 40 DFAB COc1ccc(-c2[nH]c(C=O)nc2Br)c(OC)c1 1857794804 KPYCSPYBBOZVNK-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(=O)O 37448364 FYXLXGFSMIYRIC-HZGVNTEJSA-N 307.177 2.561 0 40 DFAB CSc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cn1 71185705 NFWDMJMJQPBKOP-UHFFFAOYSA-N 320.443 2.941 0 40 DFAB C[C@@H]1OCC[C@H]1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165971 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Cc1nc(C)c([C@@H](C)NS(=O)(=O)N2CCCCCC2)s1 48674083 LEKALJXKTLWXRZ-LLVKDONJSA-N 317.480 2.531 0 40 DFAB O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCc2ccccc2C1 13320516 DZBVURCIHOWYTG-LCSXWQTCSA-N 313.397 2.708 0 40 DFAB Nn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 71327705 UJLZTJMTIKSKQH-UHFFFAOYSA-N 319.336 2.681 0 40 DFAB Cc1ccc(Cn2nnc(C(=O)O)c2-c2cccnc2)cc1C 65288279 LEHJEMQLTVLZGW-UHFFFAOYSA-N 308.341 2.703 0 40 DFAB O=C(COC(=O)c1cc(O)c2ccccc2c1O)c1ccc[nH]1 4414102 KTRUHYUMUKMTOE-UHFFFAOYSA-N 311.293 2.619 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 5499822 UDZCFFSHBAGNLD-UHFFFAOYSA-N 315.398 2.745 0 40 DFAB COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12 14758993 TUTSVLUUGMNALO-UHFFFAOYSA-N 300.266 2.585 0 40 DFAB endogenous,in-man CC(C)[C@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 4741133 KQUZNKMTBNJFQD-INIZCTEOSA-N 317.341 2.993 0 40 DFAB CC[C@H](NC(=O)CCc1cnn(C)c1)c1cc(F)ccc1F 96419079 IIZNWJJGGJDIHJ-HNNXBMFYSA-N 307.344 2.898 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)NCc2ccc(F)cc2)n1 67350579 VDPRGWPSXXCOOE-CQSZACIVSA-N 318.352 2.954 0 40 DFAB CCCNC(=O)[C@H](C)Sc1nncn1-c1cccc(Cl)c1 7319273 MAEUQYMEYVFRBN-JTQLQIEISA-N 324.837 2.928 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(C2CCCC2)C1 7471918 VAMMYKQWGLNKJR-OAHLLOKOSA-N 312.413 2.905 0 40 DFAB COc1ccc(NC(=O)Cc2cc(Cl)ccc2OC)cn1 7849057 KJDUCRUTHDLZGT-UHFFFAOYSA-N 306.749 2.933 0 40 DFAB O=C(N[C@@H](COc1ccccc1)c1ccccc1)[C@@H]1CCOC1 71886278 FISRJVABWFOFAN-AEFFLSMTSA-N 311.381 2.959 0 40 DFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1cccc(F)c1 25672010 ITFKOFSZGLPQPP-OAHLLOKOSA-N 320.364 2.995 0 40 DFAB c1ccc(-c2cnc(CN3CCCC[C@@H]3Cn3cncn3)o2)cc1 71876139 HLBPJBIGYOUVSS-MRXNPFEDSA-N 323.400 2.988 0 40 DFAB c1cncc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 69532207 WDAHCYQSCWHWJT-UHFFFAOYSA-N 322.368 2.533 0 40 DFAB CCOCCCN1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H](C)C1 71908768 OZQMYCZXBHLJAG-IKGGRYGDSA-N 308.466 2.596 0 40 DFAB CCCS(=O)(=O)N1CCC(OC2CCC(C)CC2)CC1 69739581 WOSLUVMYACLSDV-UHFFFAOYSA-N 303.468 2.786 0 40 DFAB CNC(=O)c1ccc(OCc2ccc(F)cc2C(=O)OC)cc1 69949308 XOKCXPJDDCLKNU-UHFFFAOYSA-N 317.316 2.551 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1 69950782 YQTYDJUAEXKJKN-ZDUSSCGKSA-N 309.373 2.545 0 40 DFAB CCOC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 18322580 DDUHZNWQDYNCKE-OKILXGFUSA-N 301.342 2.543 0 40 DFAB Cc1cc(Br)ccc1NC(=O)c1ccc(=O)[nH]c1 9836680 NELAJSVVJCZLBK-UHFFFAOYSA-N 307.147 2.698 0 40 DFAB O=C(c1ccon1)N1CCc2cc(Br)sc2C1 95445824 HFLRAUKCVICROG-UHFFFAOYSA-N 313.176 2.697 0 40 DFAB CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 97084764 YDDCGYZNSWYHFO-UKRRQHHQSA-N 314.389 2.626 0 40 DFAB Cc1ccc([C@H](NC(=O)N(C)C[C@H](O)C2CC2)C2CC2)cc1 95411072 LRTTZLMQBXVXDT-IRXDYDNUSA-N 302.418 2.858 0 40 DFAB COCCn1ccc2cc(C(=O)Nc3cc(C)n(C)n3)ccc21 95472397 GKJONVLCBLXECB-UHFFFAOYSA-N 312.373 2.582 0 40 DFAB Cc1ccc2c(c1)nc(CCNC(=O)Nc1cccnc1)n2C 72289119 IVIYPCOTSACULD-UHFFFAOYSA-N 309.373 2.641 0 40 DFAB CC(C)c1nc([C@H]2CCCN2Cc2nnc(C3CC3)n2C)no1 72279398 RVCIFYQFQHUYAQ-GFCCVEGCSA-N 316.409 2.536 0 40 DFAB O=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 95975622 ZBLQRQDTJIKXBF-IAGOWNOFSA-N 320.408 2.780 0 40 DFAB CN(CCc1ccccn1)[C@@H]1CCN(c2ccccc2F)C1=O 95958673 YPLUZMGPSLBHQK-QGZVFWFLSA-N 313.376 2.501 0 40 DFAB CS(=O)(=O)N1CCCCC[C@@H]1CC(=O)c1cccs1 95944910 YHPGGENDJIYQCJ-LLVKDONJSA-N 301.433 2.525 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(=O)[nH]1 75119154 YNDLSLMVQUFORW-OAHLLOKOSA-N 324.384 2.687 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCc3ccccc32)cc1 29520466 ZJUQJYRTRKQKFL-UHFFFAOYSA-N 324.424 2.807 0 40 DFAB CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc[nH]2)CC1 89662454 DCTGKNNONDHVCA-UHFFFAOYSA-N 307.394 2.580 0 40 DFAB COc1ccc(Cl)cc1C(=O)NC[C@](C)(O)c1ccco1 76088639 VAQAYUSEJGISAO-HNNXBMFYSA-N 309.749 2.579 0 40 DFAB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OC)C(=O)OC 409044207 UHRAZHYBCXIPRQ-UHFFFAOYSA-N 319.140 2.731 0 40 DFAB Cn1cc(NC(=O)N2CCCC23CCC3)c(C(F)(F)F)n1 518068185 SCOIXQWZGBKMOS-UHFFFAOYSA-N 302.300 2.989 0 40 DFAB CCOC(=O)N[C@@H]1[C@H](NC(=O)OCC)[C@H]2CC[C@]1(C)C2(C)C 3845974 QLDRUUOHQNVXRC-QHSOUUPTSA-N 312.410 2.672 0 40 DFAB biogenic C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 6067902 OFAZPSYXUKIJIK-JGRZZSDMSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro O=C1NCCCC[C@@H]1SCc1noc(-c2ccsc2)n1 78555747 WGIDSVJZHXULCJ-JTQLQIEISA-N 309.416 2.700 0 40 DFAB O=C(Nc1nncs1)c1csc(Cc2ccccc2)n1 30560147 DNBZCNLIYDGZBF-UHFFFAOYSA-N 302.384 2.838 0 40 DFAB COC(=O)NCc1nc(-c2ccc(N3CCCCC3)cc2)no1 73145193 SMJCFHNKOOORAT-UHFFFAOYSA-N 316.361 2.583 0 40 DFAB C[C@@H]1NC(=S)N(c2ccc(NC(=O)OC(C)(C)C)cc2)C1=O 71857604 FJKDYUPSJWOWQQ-VIFPVBQESA-N 321.402 2.643 0 40 DFAB O=C(c1cnco1)N1CC[C@H](Cc2cccc3ncccc23)C1 72367633 SOILOAPCPAZHEH-CYBMUJFWSA-N 307.353 2.928 0 40 DFAB CO[C@@]1(C)C[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1(C)C 73269327 PUXJIDSCMKFWGQ-YOEHRIQHSA-N 322.380 2.718 0 40 DFAB Cc1noc(C)c1-c1ccc(S(=O)(=O)CCCC(=O)O)cc1 564666765 HPEVSZOVEPFZDD-UHFFFAOYSA-N 323.370 2.597 0 40 DFAB CN1C(=O)[C@H](C(=O)O)[C@H]2C[C@@]1(c1ccccc1)Oc1ccccc12 138581996 DVGVIPQIDVPUIW-GMBSWORKSA-N 323.348 2.579 0 40 DFAB Cc1cc(CN2CC[C@H](C)S(=O)(=O)CC2)ccc1Cl 192049716 NSJJQGLHDZJLRN-LBPRGKRZSA-N 301.839 2.657 0 40 DFAB CCOc1ccc(C(=O)NCCCN2CCCC2)cc1Cl 225745819 OVSFWHKREWOSOK-UHFFFAOYSA-N 310.825 2.954 0 40 DFAB Cc1ccc(-c2noc(CCC(=O)N(C)C3CC3)n2)cc1F 63728101 CIQDNLVHUDHEQE-UHFFFAOYSA-N 303.337 2.738 0 40 DFAB COc1cccc(OC)c1CNC(=O)c1ccc(F)cc1F 222965006 YTWQYPGAXFPFLW-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB CC(C)c1ccc(NC(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc1F 190285187 VSPKDWSSBZQXKQ-NWDGAFQWSA-N 312.385 2.545 0 40 DFAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C 225738578 UMTFGVAVCWNDMW-MJBXVCDLSA-N 309.431 2.779 0 40 DFAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222755922 TUOCMFHLXMHLGS-OAHLLOKOSA-N 304.434 2.976 0 40 DFAB CC[C@H](c1ccc(F)cc1F)[S@@](=O)CC(=O)N(C)C1CC1 96448137 YMPCYSCZWFUTAF-SPLOXXLWSA-N 315.385 2.785 0 40 DFAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccs2)C1 96455545 UEICVSPOHCMFKA-SZZPBAKOSA-N 314.476 2.627 0 40 DFAB O=C(c1ccncc1)N1CCCN(CCC2CCCC2)CC1 96424151 IZXHDZNSRNLOQY-UHFFFAOYSA-N 301.434 2.810 0 40 DFAB Cc1cnc(N2CCC3(CC[C@H](C(=O)NC(C)C)C3)CC2)nc1 96227847 IVOKRCAMOJINGZ-HNNXBMFYSA-N 316.449 2.696 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CO1 96105835 ZGPXGAKMKPXQAP-HNNXBMFYSA-N 321.392 2.792 0 40 DFAB O=C(CCc1cccnc1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 580723966 QFLSDACUNICOPL-ROUUACIJSA-N 321.424 2.609 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)N(Cc1ccncc1)C1CC1 96404005 BVKWIEUKBGFJMU-UHFFFAOYSA-N 309.373 2.946 0 40 DFAB O=C(Nc1ccnn1CC1CC1)c1ccnc(OC2CCC2)c1 96485611 LBPPBEMENHWIIH-UHFFFAOYSA-N 312.373 2.872 0 40 DFAB COC(=O)c1cccc(CNC(=O)NCCc2cccs2)c1 96462620 KXXOWLHTYBWSPJ-UHFFFAOYSA-N 318.398 2.577 0 40 DFAB CCNC(=O)c1ccc(OC(=O)c2cc(F)ccc2F)cc1 96407267 YHEYFQAXTBWUDZ-UHFFFAOYSA-N 305.280 2.934 0 40 DFAB COC(=O)[C@H](C)N(C(=O)c1cnc2ccccc2c1C)C1CC1 96451288 OVTMZQYKIYBBMX-LBPRGKRZSA-N 312.369 2.709 0 40 DFAB CCCCc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 245281210 AHWSGBOVVCADEH-MVWJERBFSA-N 324.450 2.816 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2nccn3cccc23)CC1 257226357 FKILIXSJHXPKQI-CQSZACIVSA-N 323.400 2.542 0 40 DFAB CCOc1ccccc1CN1CCOC[C@H]1c1nc(C)c[nH]1 257217803 DARAURVNPCDARG-HNNXBMFYSA-N 301.390 2.690 0 40 DFAB CCc1ccccc1S(=O)(=O)Nc1nccc(C2CC2)n1 530157138 NHBCMJKHKQPNDK-UHFFFAOYSA-N 303.387 2.717 0 40 DFAB Cn1cc([C@H](O)CNC(=O)c2ccsc2)c2ccccc21 96096402 FHVOECGAOOYAMQ-OAHLLOKOSA-N 300.383 2.703 0 40 DFAB Cc1cc(OCC2CCN(C(=O)[C@H]3CCCCO3)CC2)ccn1 1775995440 WBOAKQBJZSGWDB-QGZVFWFLSA-N 318.417 2.577 0 40 DFAB CCc1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)no1 54315998 QOIDXUPMELDUDM-LBPRGKRZSA-N 307.419 2.875 0 40 DFAB CC(=O)c1cccc(OCCCC(=O)NCc2cc(C)on2)c1 58699580 ROPUFQVWBWQIND-UHFFFAOYSA-N 316.357 2.661 0 40 DFAB Cc1ccc(N2CCC[C@@H](NC(=O)C3=CCCCO3)C2)cc1 74083951 MWHLBVHTYAWCRO-OAHLLOKOSA-N 300.402 2.774 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2csc(C)n2)C12CCC2 84800760 FDGBSDJWCHDGEL-KGLIPLIRSA-N 323.462 2.941 0 40 DFAB CCOC(=O)c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1 97165033 OJGGYIFJMOJHDI-UHFFFAOYSA-N 313.357 2.577 0 40 DFAB CCN(C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1)C(C)C 97141758 OQCWAIJHIZSVDV-UHFFFAOYSA-N 324.856 2.703 0 40 DFAB C[C@@H](CNC(=O)Nc1ccc(F)cc1F)CC1(C)OCCO1 80770258 ZJXAZBQKDRSUAW-SNVBAGLBSA-N 314.332 2.876 0 40 DFAB C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCCN2[C@H]1C 5758910 YDJNSPIIQAKURJ-CWLKWCNXSA-N 300.446 2.997 0 40 DFAB CC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(C)=O 5726489 AFZZGVYHTHBQBS-UHFFFAOYSA-N 324.336 2.669 0 40 DFAB Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccoc2)on1 12252343 JYNTWQMFDIXRPZ-UHFFFAOYSA-N 313.361 2.674 0 40 DFAB CCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)SC1=S 17472986 CCURNKVGIGVAJH-FMIVXFBMSA-N 304.396 2.810 0 40 DFAB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(C(=O)O)o1 5558459 CUPJLTHEMRYAQN-VOTSOKGWSA-N 319.269 2.813 0 40 DFAB CN(C(=O)COC(=O)CCOc1ccccc1)C1CCCCC1 5517026 BDQPCQDYVJGQHE-UHFFFAOYSA-N 319.401 2.790 0 40 DFAB COc1ccc2cc(-c3nnc(-c4cccnc4)o3)c(=O)oc2c1 1889224938 BPZQIFQTTYDKHS-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB O[C@H]1CCN(Cc2ccc(F)c(F)c2)[C@H]1Cc1ccncc1 2055718082 GJWYDOCTNMXVKE-IRXDYDNUSA-N 304.340 2.538 0 40 DFAB C[C@H](SC(F)(F)F)C(=O)NCc1cn2ccccc2n1 40088882 SULGSUYYALCTPC-QMMMGPOBSA-N 303.309 2.592 0 40 DFAB O=C(O)[C@@H]1CCC(=O)N1C1c2ccccc2Oc2ccccc21 134555 NSLOMGGNTJDLSV-ZDUSSCGKSA-N 309.321 2.957 0 40 DFAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(C)cc3)C2=O)c1 101275880 XOCDQGSNCMUMQV-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(O)c1)CC(O)=N2 20731662 HGRFGDGYZWBJOY-ZDUSSCGKSA-N 321.340 2.800 0 40 DFAB CNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1 371943 NRYCZHURQIKDEM-UHFFFAOYSA-N 319.386 2.547 0 40 DFAB CCc1nnc2c3cnn(-c4ccc(C)c(Cl)c4)c3ncn12 545350 ZENITZBITPUIFN-UHFFFAOYSA-N 312.764 2.987 0 40 DFAB NC(=O)COc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 22753914 YFHORVVMEFBCHJ-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 53892366 XRZWFAMCAFGZEM-LLVKDONJSA-N 318.760 2.547 0 40 DFAB CN1CCN(Cn2c(=O)oc3ccccc32)[C@H](c2ccccc2)C1 47404698 IYIJNECUTROCIO-KRWDZBQOSA-N 323.396 2.541 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(N)=O 386188 KCBKZXJHACVEDT-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB COC(=O)Nc1cccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 47710669 PKHFIGMRZIXVEM-PHIMTYICSA-N 307.350 2.506 0 40 DFAB Cc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCC(C)C 1341833 SNQDYKAGSFAUGJ-HNNXBMFYSA-N 303.406 2.764 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 2502338 VNCOQPMEUVYRFM-UHFFFAOYSA-N 320.395 2.699 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncc(C)s1 6816633 ZPFXCIHDSYTCJK-LBPRGKRZSA-N 306.343 2.750 0 40 DFAB CCOC(=O)CSCC(=O)Nc1cccc(Cl)c1C 7506483 MADAIUDQXXHCHW-UHFFFAOYSA-N 301.795 2.883 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(=O)O)cc1 7556673 QCUASPOJTIHVQB-GWCFXTLKSA-N 307.419 2.755 0 40 DFAB O=C1[C@H](Nc2ncccn2)CCN1c1ccc(C(F)(F)F)cc1 95396950 KKMFSUPDZNPFJH-GFCCVEGCSA-N 322.290 2.713 0 40 DFAB CC(C)(C)c1ccc(C2(C(=O)NC[C@@H]3COCCO3)CC2)cc1 55847364 NTFBZLPBPDGWBP-MRXNPFEDSA-N 317.429 2.547 0 40 DFAB CCN1CC[C@H](NCCc2ccc(OC)c(OC)c2)[C@H](C)C1 95967072 WVHQVHABHLBNEB-ZBFHGGJFSA-N 306.450 2.566 0 40 DFAB C[C@H](NCC1=Cc2ccccc2OC1)c1nnc2n1CCCC2 84667987 JARVGBSOWKCCOZ-ZDUSSCGKSA-N 310.401 2.741 0 40 DFAB CCOc1ncccc1C(=O)NCC1(N(C)C)CCCCCC1 12733613 XUJUVAYYUNGLMH-UHFFFAOYSA-N 319.449 2.865 0 40 DFAB O=c1onc(-c2ccncc2)n1CCOc1ccc(Cl)cc1 58203153 LXABHAMIDNWDDG-UHFFFAOYSA-N 317.732 2.631 0 40 DFAB Nc1nnc(SCCOc2ccc(C(F)(F)F)cc2)[nH]1 107099601 WDARBDLJWJZZML-UHFFFAOYSA-N 304.297 2.577 0 40 DFAB COc1cc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1O 48300694 OGIDLFXKQKIGOH-AWEZNQCLSA-N 304.733 2.908 0 40 DFAB CC[C@H](Sc1nncn1C1CC1)C(=O)NCc1ccccc1 10649702 WOLUIHOKQOCGGP-AWEZNQCLSA-N 316.430 2.800 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc(Cl)c(Cl)[nH]2)c(=O)[nH]1 12873230 QKDRJKXXHBTQFY-UHFFFAOYSA-N 314.172 2.557 0 40 DFAB C[C@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)n1cncn1 29759864 ZWTSBJIPGOKHGF-SKDRFNHKSA-N 322.821 2.846 0 40 DFAB Cc1cc(C)n(CC(=O)N[C@H](C)c2cccc(OC(F)F)c2)n1 46640603 DRGGNNRVVFQCTJ-GFCCVEGCSA-N 323.343 2.979 0 40 DFAB Cc1cc(C(=O)OCC(=O)NCc2ccco2)c2ccccc2n1 2746173 MKHBBOVGLVEKMT-UHFFFAOYSA-N 324.336 2.609 0 40 DFAB CN1N=C(C(=O)Nc2ccccc2Cc2ccccc2)CCC1=O 13001786 QANYEDXQSLHQAO-UHFFFAOYSA-N 321.380 2.824 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=CC[C@H]2C(=O)O)cc1 3893699 LFYCTHKJSJNWEN-HUUCEWRRSA-N 301.342 2.885 0 40 DFAB CC(=O)Nc1nc2ccc(C(=O)Nc3nccs3)cc2s1 13735230 ICZAUCCDNCWWHJ-UHFFFAOYSA-N 318.383 2.964 0 40 DFAB Cc1noc(C)c1COn1nnc2ccc(C(F)(F)F)cc21 6231338 GSKXWEUCAIBKHR-UHFFFAOYSA-N 312.251 2.684 0 40 DFAB CC(C)C[C@H](C)N(C)C(=O)NCc1cccnc1-n1cccn1 65405146 GIMRHMGKNZUYKD-AWEZNQCLSA-N 315.421 2.843 0 40 DFAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 65415497 FCADOBJKMDMJRK-JTQLQIEISA-N 314.341 2.814 0 40 DFAB C[C@@H](CC(=O)Nc1ccn(Cc2ccccn2)n1)n1cccc1 65493145 RMRJGLFDQOYNRS-AWEZNQCLSA-N 309.373 2.718 0 40 DFAB Cc1cccc(C)c1-n1nnnc1SCC(=O)c1ccc[nH]1 5391566 DIGLCQOHPZKJKO-UHFFFAOYSA-N 313.386 2.582 0 40 DFAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc(F)c1 5388252 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71876170 ZDJJYVXEPCKWBJ-ZDUSSCGKSA-N 313.430 2.943 0 40 DFAB C[C@H](C1CC1)N(C(=O)c1cn(-c2ccc(F)cc2)nn1)C1CC1 71892728 DDHRHMALRWWPMA-LLVKDONJSA-N 314.364 2.810 0 40 DFAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(C)on2)C1=O 7823843 QNYCFHZVRQAXFZ-KRWDZBQOSA-N 313.357 2.730 0 40 DFAB CCc1nn(C)cc1NC(=O)c1ccc(N2CCCC2)c(F)c1 91164304 WWXYTEXUUFCRRL-UHFFFAOYSA-N 316.380 2.974 0 40 DFAB O=C1C[C@@H](C(=O)Nc2ccc(COc3ccccc3)cc2)CCN1 91166076 KAWBFUNPDPKJIP-HNNXBMFYSA-N 324.380 2.730 0 40 DFAB COc1ccc(C(=O)OCc2nc(-c3ccsc3)no2)cn1 16699220 USAQGSDQYLHTPJ-UHFFFAOYSA-N 317.326 2.559 0 40 DFAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cc(C2CC2)on1 89351092 SFDWNDFYQQGNMC-UHFFFAOYSA-N 300.314 2.522 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2nnc(-c3ccco3)o2)c1 69491651 ZDXYYVBHVFJMCK-VXGBXAGGSA-N 301.350 2.574 0 40 DFAB COc1cc(CN[C@@H](C)[C@H](C)n2cc(C)cn2)cc2c1OCO2 69564557 OLHQYDPIIHARBR-STQMWFEESA-N 317.389 2.668 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)NCC[C@@H](C)c1ccccc1 69561204 CDBRMDJBQBZKRM-CABCVRRESA-N 300.406 2.765 0 40 DFAB CCOc1ccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1C 69843738 HUHOVFGFUFMDSP-LBPRGKRZSA-N 321.421 2.818 0 40 DFAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1 97109556 OBHRKCVOUKVCTO-LBPRGKRZSA-N 324.384 2.810 0 40 DFAB CCc1cc(NC(=O)NC[C@H](C)c2ncc(C)s2)n(C)n1 97113293 PXSOOJKEUIEHGB-VIFPVBQESA-N 307.423 2.673 0 40 DFAB Cc1cc(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)[nH]1 89568598 XWQDBWXZHJTILZ-CYBMUJFWSA-N 321.421 2.665 0 40 DFAB Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 36644041 MIAJHVDAKDDGHR-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cc(Br)cn1 28224201 GXNCZJPTVQVHAM-NXEZZACHSA-N 300.200 2.608 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2F)cc1Cl 72227926 QUNXBYSPIATUPI-LSDHHAIUSA-N 320.751 2.903 0 40 DFAB CC1(N2CCOCC2)CCN(CCc2ccc(F)c(F)c2)CC1 528730748 ZMHFVPOOIRARBO-UHFFFAOYSA-N 324.415 2.694 0 40 DFAB Cn1cc(COC(=O)c2ccc(OCc3ccccn3)cc2)cn1 76871759 QQBWDXMLXCYSNS-UHFFFAOYSA-N 323.352 2.751 0 40 DFAB Cc1noc([C@H](C)OC(=O)[C@@H]2CSc3ccccc3O2)n1 78985930 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COCCNC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225260351 BUIPCWJZJDYGRG-UHFFFAOYSA-N 309.369 2.915 0 40 DFAB Cc1ccc2c(n1)N(CC1CC1)CCN(C(=O)c1ccco1)C2 96199071 BHHPHVYFUWRSKR-UHFFFAOYSA-N 311.385 2.855 0 40 DFAB Cc1cc(C(=O)OCCOc2cccnc2)nn1C(C)(C)C 96442245 ZFVQSJJJKKLFOK-UHFFFAOYSA-N 303.362 2.577 0 40 DFAB O=c1ccc2c(n1CC1CC1)CCN(Cc1ccsc1)CC2 96059350 IPTUKXHJVQLWFG-UHFFFAOYSA-N 314.454 2.921 0 40 DFAB O=S(=O)(c1cccnc1)N1CC[C@@H]1c1ccc(Cl)cc1 96428604 CHGGDLGMZFTRBV-CQSZACIVSA-N 308.790 2.871 0 40 DFAB COC[C@@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 96106265 FKORGBWGQPKFHQ-MRXNPFEDSA-N 304.434 2.655 0 40 DFAB COC[C@@H]1CCC2(CCN(Cc3ccc(OC)cc3)CC2)N1C 96208744 PXDJTXGDYFORLX-KRWDZBQOSA-N 318.461 2.770 0 40 DFAB CC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCNCC1 98213803 DDXPLRDZOFGQCX-UHFFFAOYSA-N 308.397 2.972 0 40 DFAB CCS[C@@H]1CCCC[C@H]1N[C@H]1CCN(CC(F)(F)F)C1=O 249502644 JFPGAIFIPBSPRP-GRYCIOLGSA-N 324.412 2.804 0 40 DFAB COc1ccccc1C(=O)N1CC[C@@H](Cc2nccs2)C1 257281639 OQFSSHKLYHUPCN-LBPRGKRZSA-N 302.399 2.857 0 40 DFAB O=C(c1ccsc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257216140 CTHAPYJNFWDAMJ-KWCYVHTRSA-N 314.414 2.501 0 40 DFAB COCCN1CCC[C@@H](c2nccnc2-c2scnc2C)C1 257245347 IPBYOLQLRKEBCE-CYBMUJFWSA-N 318.446 2.734 0 40 DFAB Nc1nc(Nc2ccc(Cl)c(Cl)c2)nn1-c1ncccn1 255188522 KISUGUNAUVNRHF-UHFFFAOYSA-N 322.159 2.690 0 40 DFAB Cc1c[nH]c([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257249678 JJHSKNHEMNJXSV-KRWDZBQOSA-N 308.385 2.840 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCCN3CCCCCC3)C2)n1 257312232 UMYDOZKAPCTBOB-MRXNPFEDSA-N 318.465 2.690 0 40 DFAB CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4cc(C(C)C)on4)[C@@H]1[C@H]3C2 286922214 BLMZKGFEFKILJI-GLRJYAJPSA-N 305.378 2.685 0 40 DFAB COc1cccc([C@H](CNC(=O)NCc2cccs2)OC)c1 96390639 ITKUDXAKQJPHIV-HNNXBMFYSA-N 320.414 2.944 0 40 DFAB CC(C)c1cc(CN2CC[C@](O)(COc3ccccc3)C2)on1 585278353 RFUOZPIURGUOBD-GOSISDBHSA-N 316.401 2.814 0 40 DFAB Cc1cc(NC(=O)Cn2ncnc2-c2ccccc2Cl)no1 69570504 HCVIYDMVQQHWBV-UHFFFAOYSA-N 317.736 2.534 0 40 DFAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1F 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5234574 ALOKYOYDCUMHCQ-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(C)CC3)ccc21 12291142 KVPRRSRCOHANGY-LJQANCHMSA-N 316.445 2.751 0 40 DFAB C[C@H]1CN(Cn2nc(-c3ccccc3)oc2=S)C[C@H](C)O1 16075346 QALJCPHZFILQJP-RYUDHWBXSA-N 305.403 2.939 0 40 DFAB Cc1cc2nccc([C@@H]3CCCCN3C(=O)c3ccccn3)n2n1 19130669 QWIBGJVSIWHQBZ-HNNXBMFYSA-N 321.384 2.800 0 40 DFAB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1C1CC1 8334188 YQXBXIXZWGRZMW-FVLHSZHDSA-N 313.401 2.642 0 40 DFAB O=C(Nc1ccc(SCCN2CCCCCC2)nn1)C1CC1 13702010 IFVURARSVHKTOY-UHFFFAOYSA-N 320.462 2.793 0 40 DFAB COc1cccc(C2CCN(C(=O)C[C@@H]3CCCNC3)CC2)c1 578142153 CGGMBIMOYYBCRF-HNNXBMFYSA-N 316.445 2.791 0 40 DFAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(F)cc1 11691823 GWMXFFJXWQHQOH-UHFFFAOYSA-N 322.303 2.706 0 40 DFAB CSc1ncccc1C(=O)NCc1cc(-c2ccco2)on1 36662455 PJHOACPSXIMJES-UHFFFAOYSA-N 315.354 2.982 0 40 DFAB c1ccc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 2298080855 HCLAAUBSQVGTMC-AWEZNQCLSA-N 309.373 2.617 0 40 DFAB CNC(=O)c1cc(NC(=O)NCc2ccc(C)cc2)ccc1F 50086625 ICOSXLVXWFKNMR-UHFFFAOYSA-N 315.348 2.815 0 40 DFAB CCN(CC)C(=O)Oc1cc(=O)n2c3c(cccc13)CCC2 173559 XSIAVDJMZCQZQX-UHFFFAOYSA-N 300.358 2.788 0 40 DFAB Cc1ccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1NS(C)(=O)=O 101732936 XYHPEWPGPCZRSY-IHRRRGAJSA-N 306.431 2.991 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CCOC1 41378268 QEVMCJRSTBWGRD-LBPRGKRZSA-N 319.792 2.600 0 40 DFAB Cc1cnc(C(=O)Nc2cccc(Oc3cnccn3)c2)cn1 33136219 YHHSVXYRWFORFC-UHFFFAOYSA-N 307.313 2.620 0 40 DFAB CCC(=O)[C@H](C)n1nnc(-c2ccc(Br)cc2)n1 77222371 ACCNPXVVBZGANF-QMMMGPOBSA-N 309.167 2.643 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C 23076434 WXLGTBOXCFYIBB-UHFFFAOYSA-N 301.346 2.764 0 40 DFAB Cc1ccc([C@H](NC(=O)CCn2cncn2)c2ccccc2)cc1 54515818 VACUVHUOUXEMFN-LJQANCHMSA-N 320.396 2.882 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccsc1 12599060 FIHKXTYFOUPVHQ-SNVBAGLBSA-N 305.355 2.941 0 40 DFAB Cc1ccc(N2CC(=O)N(C(=O)c3ccccc3)C2=S)cc1 4714310 ZRCNAOAGXPPVNF-UHFFFAOYSA-N 310.378 2.769 0 40 DFAB CCCn1c(=O)n(CC(=O)NC2CCCCC2)c2ccccc21 7250628 SXLDKCSLLUKJMN-UHFFFAOYSA-N 315.417 2.662 0 40 DFAB Cc1noc(C2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 106116598 RSKBNVDGIKEXGN-QEJZJMRPSA-N 303.406 2.910 0 40 DFAB CCc1noc(C)c1C(=O)NCc1cccc(Cn2ccnc2)c1 24749232 QIGVELKXUSWREW-UHFFFAOYSA-N 324.384 2.720 0 40 DFAB O=C(c1ccccc1F)N1CC[S@@](=O)C[C@H]1c1ccccc1 95398653 VZALJCDJCAZTHS-AOMKIAJQSA-N 317.385 2.772 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3ccco3)cn2)n1 25301174 UOGOLQWRRGJRQA-LBPRGKRZSA-N 324.384 2.838 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc3ccccc3c2)C1=O 44261232 ZHOYWIOUTCPNJN-LPHOPBHVSA-N 324.380 2.594 0 40 DFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)C)sc2c1CCCC2 3252565 AHHKTOOUAZAFFG-SNVBAGLBSA-N 324.446 2.692 0 40 DFAB CN(c1ccccc1)c1ccc(CNC(=O)c2cnccn2)cn1 44797282 JYFWVTYZBXZCJZ-UHFFFAOYSA-N 319.368 2.570 0 40 DFAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C1=COCCO1 3252242 NFXDLKSSTJIBKM-GFCCVEGCSA-N 319.357 2.570 0 40 DFAB Cc1ccc([C@@H](CNC(=O)Nc2cc(C)on2)N(C)C)cc1 58192246 JUKSJBJLGLUEHT-CQSZACIVSA-N 302.378 2.716 0 40 DFAB Cc1nc(C)c(C(=O)N2CCN(c3ccccc3F)CC2)s1 44866430 HDZKBHDBGBKHCT-UHFFFAOYSA-N 319.405 2.861 0 40 DFAB Cc1noc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 58232321 PDQCGEAMFWGHOZ-QWRGUYRKSA-N 322.162 2.883 0 40 DFAB COCCn1cc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cn1 44973028 CUEUSHJESICTPZ-KGLIPLIRSA-N 306.410 2.574 0 40 DFAB O=C(/C=C/c1ccccc1Cl)NCCCCN1CCOCC1 48284664 NMXATMGPBNUGDT-BQYQJAHWSA-N 322.836 2.582 0 40 DFAB COc1ccc(Br)cc1CNC(=O)[C@H](C)SC 58342539 WEFQBYFKKCVTTQ-QMMMGPOBSA-N 318.236 2.825 0 40 DFAB O=c1n(CCSC/C=C/c2ccccc2)nc2ccccn12 28907471 VPCBIQNXHSURCI-RMKNXTFCSA-N 311.410 2.943 0 40 DFAB Cc1ccc(F)cc1NC(=O)CNC(=O)Nc1ccccc1 11773396 SJTJMDZHNYHFMT-UHFFFAOYSA-N 301.321 2.894 0 40 DFAB CCCN1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 60994091 NJBRIUFUDGCICA-GFCCVEGCSA-N 306.435 2.887 0 40 DFAB Nc1cc(C(=O)Nc2cc(F)c(F)cc2F)cc(Cl)n1 61095287 BAJKDEVRHLDSEF-UHFFFAOYSA-N 301.655 2.987 0 40 DFAB Cc1nc2n(c(=O)c1C)CN(C(C)C)CN2c1ccc(F)cc1 38829913 XSDCVRQDYWSEKR-UHFFFAOYSA-N 316.380 2.776 0 40 DFAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(C)=O)cc1 4061855 JYZNBRPJAXALDY-BZSNNMDCSA-N 303.402 2.910 0 40 DFAB biogenic O=C(Cn1nnc2ccccc21)N[C@@H]1CCCc2ccccc21 5109978 LTEIJGFHLMLGJB-OAHLLOKOSA-N 306.369 2.625 0 40 DFAB CC[C@H](C)N(C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C 65515499 DXLDVFMBIMVKKV-ZDUSSCGKSA-N 320.437 2.805 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 5421454 MPYZMDVYODPOCD-UHFFFAOYSA-N 312.369 2.987 0 40 DFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccnc1 5699696 CBPWXEHKPYKKMH-UHFFFAOYSA-N 324.167 2.757 0 40 DFAB O=S(=O)(c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 5774732 UNTHEZYHBQEXPQ-UHFFFAOYSA-N 312.394 2.915 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)N1CCCc2ccccc21 15156390 HWEBTKKHQKMTRM-VIFPVBQESA-N 320.443 2.580 0 40 DFAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccccc2)CC1 19889933 VBCMGHBBASXMCY-FUHWJXTLSA-N 316.445 2.788 0 40 DFAB Cn1cc(CSc2nnc(Cc3ccccc3F)o2)cn1 67955552 ATGSMKSNEBRSLC-UHFFFAOYSA-N 304.350 2.825 0 40 DFAB CC[C@H](C)NC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 80659249 FMWLFXZNTMYNAY-DOTOQJQBSA-N 303.450 2.948 0 40 DFAB CCCc1nnc(NC(=O)c2ccc3c(c2)nnn3CC)s1 7987594 HOJSUEWHTYUBLO-UHFFFAOYSA-N 316.390 2.508 0 40 DFAB COc1ccc2c(CC(=O)Nc3ncccc3C)cc(=O)oc2c1 68865807 KBWQGYQWQQQHMR-UHFFFAOYSA-N 324.336 2.686 0 40 DFAB OC[C@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 8177872 KJRVTMBZSLEVNO-NSHDSACASA-N 303.431 2.779 0 40 DFAB COCCCOc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1 69159067 XMUZFGYAYRUUOD-KRWDZBQOSA-N 312.369 2.956 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)[C@@H]1CCCO1 69201045 XVMFOFVUVFZQHJ-CJNGLKHVSA-N 314.389 2.620 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2cscn2)n1 70007044 NQTPIJCZMLIWCV-OAHLLOKOSA-N 318.446 2.580 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1nc2ccccc2s1 8316514 AEZBMJUAPYPBLK-UHFFFAOYSA-N 315.354 2.648 0 40 DFAB CC(C)N(C(=O)COC(=O)c1cc2ccccc2[nH]1)C(C)C 8325649 GASINHHIHBYJLI-UHFFFAOYSA-N 302.374 2.970 0 40 DFAB CCC[C@@H](C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 69665861 BKKKRPPOXAXKIK-MRXNPFEDSA-N 317.477 2.983 0 40 DFAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cnc2ccccc2n1 69601304 DGSDKDBXTYDCQD-DLBZAZTESA-N 324.428 3.000 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 17573790 RSADUYDHSYPZRL-UHFFFAOYSA-N 313.361 2.798 0 40 DFAB NC(=O)c1ccsc1NC(=O)COc1cccc(Cl)c1 8536675 OFHMNIHUECHNJD-UHFFFAOYSA-N 310.762 2.518 0 40 DFAB CC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)on1 70773400 NNMWSKDSEXPKPL-STQMWFEESA-N 324.446 2.925 0 40 DFAB CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccoc2)c1 95447314 DNVBOWYGEHKODG-NSHDSACASA-N 307.371 2.564 0 40 DFAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H]1c1noc(C2CC2)n1 84136632 KSRTVXRSPCUJAI-STQMWFEESA-N 305.378 2.570 0 40 DFAB Cc1ccnn1-c1cccc(NCc2cc(C(N)=O)cs2)c1 95428829 MQCBCYLQARVCDU-UHFFFAOYSA-N 312.398 2.953 0 40 DFAB NC(=O)[C@H]1CCC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 95440116 XFEXCKYUMZUADQ-QWRGUYRKSA-N 318.314 2.978 0 40 DFAB Cc1ccoc1-c1nnc(CN[C@@H](C)[C@H](C)n2cccn2)o1 72269759 KQSBGVQHWVGCED-RYUDHWBXSA-N 301.350 2.574 0 40 DFAB C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@H](c2ccccc2)O1 72289543 NHJUZFSUSHQRSR-ZTFGCOKTSA-N 311.381 2.709 0 40 DFAB COc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1 95462655 YJXYZSWFHBGIJM-LAUBAEHRSA-N 303.427 2.905 0 40 DFAB COCc1cc(NC(=O)NCc2ccc(Cl)c(C)c2)ncn1 97113424 IEIDFZXDMVKVCX-UHFFFAOYSA-N 320.780 2.907 0 40 DFAB COCC[C@H](C)NC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 73978598 LHGMPZFOXBYPQQ-ZMSDIMECSA-N 320.433 2.891 0 40 DFAB O=C(c1nccn2c(Br)cnc12)N1CCCCCC1 95982922 SLJRZKZOSYKMBO-UHFFFAOYSA-N 323.194 2.508 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)/C=C/c2nc3ccccc3s2)C1 95956877 GDDZXIWVJSRGOO-AEZGRPFRSA-N 316.382 2.633 0 40 DFAB COC(=O)N1CCC(N[C@H]2CSCCc3ccccc32)CC1 89401049 FMQHWBYBDJXQFZ-INIZCTEOSA-N 320.458 2.837 0 40 DFAB C[C@@H]1CN(c2ncnc3ccsc23)CCN1c1nccs1 89939456 BOHFCVMANKENEA-SNVBAGLBSA-N 317.443 2.863 0 40 DFAB Cc1cccc(-c2nnc([C@H](C)N3CCn4c(C)nnc4C3)o2)c1 69490249 JESVQADANSHILE-LBPRGKRZSA-N 324.388 2.522 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C[C@H]1C[C@H](F)CC[C@@]13C 123369964 ULBSLOTZLOGSDW-WPQTWWLXSA-N 324.436 2.878 0 40 DFAB CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H](C)n1cncn1 183864020 BNQGKDQOAKMXPR-KMFMINBZSA-N 312.417 2.915 0 40 DFAB N[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218485274 XSPYTTKCFOPLHJ-KFWWJZLASA-N 307.802 2.607 0 40 DFAB COCCNc1ncc(-c2cc(C)no2)c(-c2ccncc2)n1 72342333 PBWDBGFXHHJWQS-UHFFFAOYSA-N 311.345 2.560 0 40 DFAB COc1cccc(N2CCN(c3ncnc4c3CCCC4)CC2)c1 129094751 NOSSQIYHUORILR-UHFFFAOYSA-N 324.428 2.691 0 40 DFAB Cc1ccc(CS(=O)(=O)NCCc2ccc(F)cc2)cc1 74923683 WXDIKGGZURGWMS-UHFFFAOYSA-N 307.390 2.796 0 40 DFAB C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)OCCO2 45904272 ZBNXEVDQPVRHTA-LLVKDONJSA-N 303.383 2.939 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccccn3)n2)CN1c1ccc(F)cc1 44420080 OUXQLJTUEIKERZ-LLVKDONJSA-N 324.315 2.791 0 40 DFAB Cc1cc(=O)n2ncc(-c3ccc(Br)cc3)c2[nH]1 48512758 ADCOXJWTFZGDBY-UHFFFAOYSA-N 304.147 2.761 0 40 DFAB COc1ccccc1NC(=O)NCCN1C[C@@H](C)C[C@H](C)C1 40119964 MBKBBFFSKKJSOG-KBPBESRZSA-N 305.422 2.795 0 40 DFAB COC(=O)[C@@H](NC(=O)N1CCc2ccccc21)c1ccsc1 193497804 LAVHBPMRPSBDEG-AWEZNQCLSA-N 316.382 2.735 0 40 DFAB CCO[C@H](CNC(=O)NCc1cccc(O)c1)c1ccccc1 193477902 OKFXRLFXXBKKDK-QGZVFWFLSA-N 314.385 2.969 0 40 DFAB COC(=O)c1nc2nc(C)cc(-c3ccc(Cl)cc3)n2n1 95098647 GPMGWNNFAFBRMB-UHFFFAOYSA-N 302.721 2.540 0 40 DFAB C/C(=C\C(=O)NCCn1cnnc1C1CC1)c1cccc(F)c1 96412676 HLWRGMDVJDNAFX-FMIVXFBMSA-N 314.364 2.514 0 40 DFAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC=CCC1 96436841 HPJAVGCADKZCQB-ZWKOTPCHSA-N 314.429 2.502 0 40 DFAB Fc1cnc(N2CCC[C@]3(CCN(c4ccccn4)C3)C2)nc1 96158311 DTLLSARSBYEPNI-QGZVFWFLSA-N 313.380 2.508 0 40 DFAB COc1ccc(CNCCOc2ccc(Cl)cn2)cc1O 96473200 ZELRQWUSIJTEMF-UHFFFAOYSA-N 308.765 2.618 0 40 DFAB C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cnn(Cc2ccccc2)c1 96490337 NRTKOCNDFORANB-KBXCAEBGSA-N 321.428 2.863 0 40 DFAB CCC(=O)N1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12 96241371 BZKRRUUBPQBRNM-UHFFFAOYSA-N 300.402 2.632 0 40 DFAB Cc1cc(CN2CC3(C[C@H](Oc4ccccn4)CS3)C2)no1 247894319 GRNOKIWIIXPHCI-AWEZNQCLSA-N 317.414 2.517 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)cc2NC1=O 248049951 WSWMHCPVWMWGRV-OIMNJJJWSA-N 324.380 2.947 0 40 DFAB Cc1cc(NC(=O)N[C@H]2CC[C@H](C)C2)ccc1S(C)(=O)=O 252489922 KEZALKWOVLIURL-JQWIXIFHSA-N 310.419 2.709 0 40 DFAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cccs2)n1 257282384 OTODCTZKVJOUNH-HNNXBMFYSA-N 302.447 2.937 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4ccn[nH]4)C3)c2n1 257344594 ZXYKVVCPIBNZQL-HNNXBMFYSA-N 324.432 2.524 0 40 DFAB COCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257251733 JRXYJSOTAQDJJV-OAHLLOKOSA-N 318.348 2.714 0 40 DFAB FC(F)(F)c1ccnc(N2CCN(Cc3ccncc3)CC2)c1 266825367 AWDSOINCYLIMNW-UHFFFAOYSA-N 322.334 2.818 0 40 DFAB C=CC(=O)N1CC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 585292680 QOZNMWCQKOHZFV-AWEZNQCLSA-N 309.373 2.691 0 40 DFAB Cc1ccc(C[C@H]2CCN(Cc3ccnc(C)n3)C[C@@H]2O)cc1 585279892 SXQNBNVABBFDTE-MJGOQNOKSA-N 311.429 2.519 0 40 DFAB CN(Cc1nn(C)cc1Br)C(=O)OC(C)(C)C 953089689 BAQOGZIWCLGYIB-UHFFFAOYSA-N 304.188 2.550 0 40 DFAB O=C1N[C@@H](c2cnc(-c3ccccc3)nc2)Nc2ccccc21 54423778 UVALBMZEVQVIEX-KRWDZBQOSA-N 302.337 2.998 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)no2)c1 40473811 IEAFDCZWFNJLKS-CQSZACIVSA-N 316.357 2.978 0 40 DFAB CC(C)(C)c1ccc([C@@H](O)CNC(=O)C[C@@H]2CCCO2)cc1 76016771 WSRXCNBYVDAGIE-HOTGVXAUSA-N 305.418 2.703 0 40 DFAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 12221721 IWXVRLIFMOFPGU-GOSISDBHSA-N 321.380 2.574 0 40 DFAB Cn1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 12557305 AZNRJMYXZBKCFI-UHFFFAOYSA-N 306.174 2.528 0 40 DFAB C[C@H](CCc1ccccc1)NCc1ccc2c(c1)n(C)c(=O)n2C 13726113 QNFIDZUQISANRE-OAHLLOKOSA-N 323.440 2.988 0 40 DFAB CNc1nnc(SCc2nc(-c3ccccc3)no2)s1 7102955 BRFUWHTYYRJFFI-UHFFFAOYSA-N 305.388 2.922 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 8059526 IPORLPIJXRFYOQ-UHFFFAOYSA-N 309.412 2.771 0 40 DFAB COc1cccc(-c2noc(C(=O)NC3CCCCC3)n2)c1 1432088 TYOIIIMUIDDMOJ-UHFFFAOYSA-N 301.346 2.808 0 40 DFAB CSCC[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)cc1 1775967624 YLZVBCNGBZUNLV-LLVKDONJSA-N 307.337 2.549 0 40 DFAB C[C@H](Cc1csc2ccccc12)NC(=O)N1CCNC1=O 575620414 KIKWOMSJLHTPQW-SNVBAGLBSA-N 303.387 2.567 0 40 DFAB CC(C)(C)c1ccc(=O)n(CC2CN(Cc3ccccc3)C2)n1 585603582 ATSUXSRXCRQMTP-UHFFFAOYSA-N 311.429 2.673 0 40 DFAB O=C(NC1CCCC1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032738 UQMLJULCYLEWOQ-MRXNPFEDSA-N 318.392 2.766 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1 5234528 MAWMGCNNJXKZMS-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB O=C(Nc1ccccc1N1CCCCCC1)C1=COCCO1 31096981 OVIUFVFQYLWNMU-UHFFFAOYSA-N 302.374 2.894 0 40 DFAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccoc1 40509955 MLBHLCDHOHMADX-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB CCOc1ccccc1C(=O)OCC(=O)NCc1ccccc1 51356619 RZYPDMVRNDZDFR-UHFFFAOYSA-N 313.353 2.559 0 40 DFAB NC(=O)[C@@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 32759295 HZVNVSZJXSRKBZ-ZDUSSCGKSA-N 319.792 2.835 0 40 DFAB O=C(CNC(=O)c1cccc(F)c1)NC1CCCCCCC1 21874276 SUQCVJOZMGAHGH-UHFFFAOYSA-N 306.381 2.785 0 40 DFAB Cc1noc(C)c1COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 21856668 UUTKGKROVXHOQE-LBPRGKRZSA-N 318.304 2.600 0 40 DFAB O=C(CCc1ccccc1F)Nc1cccc(-n2cnnc2)c1 33200820 OHPZFNMJTVMOHT-UHFFFAOYSA-N 310.332 2.978 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CCC3=C([C@@H](C)OC3=O)N1CC2 526467 BTYBADZGKGWDHC-QMTHXVAHSA-N 315.369 2.596 0 40 DFAB biogenic Cc1cc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)on1 24450328 HLOYOMFYESADQM-UHFFFAOYSA-N 316.357 2.505 0 40 DFAB Cn1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 12551628 HFZMOOMMSZWMEU-UHFFFAOYSA-N 306.325 2.600 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1oc(C)nc1C)C1CCCCC1 74092740 MNMMWFWOADKTPZ-CYBMUJFWSA-N 308.378 2.533 0 40 DFAB COc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1OC 100869397 ZWBYCFIAQSTAJT-ZDUSSCGKSA-N 324.340 2.944 0 40 DFAB C[C@H](O)CCN(C)C(=O)NC[C@H]1C[C@]12CCCc1ccccc12 107527632 AGHYHMHCWHKHOW-ZSZQSSIHSA-N 316.445 2.693 0 40 DFAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(=O)[nH]c1 10030971 HTSDCFVVWAKKQT-UHFFFAOYSA-N 312.247 2.568 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)CCn1ncc(=O)c2ccccc21 48252338 MXPCJMVNSWKLFG-CQSZACIVSA-N 315.417 2.728 0 40 DFAB CC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)c1 58136652 WPXAXHBIXUGNTQ-UHFFFAOYSA-N 300.362 2.918 0 40 DFAB O=C(COCC1CC1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58279767 VIHDQEXJAINYCV-CQSZACIVSA-N 322.836 2.709 0 40 DFAB O=C(NCCCn1ccnc1)N1CCCc2cc(F)ccc21 44935777 YIFRDLNXCWUACD-UHFFFAOYSA-N 302.353 2.575 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)[C@H]1CCCO1 27883570 NRNNKGDGLHDXRR-SWLSCSKDSA-N 316.405 2.618 0 40 DFAB C[S@@](=O)CCNc1cncc(SCc2ccccc2)n1 95436083 YGPAMSLTBQUYPU-FQEVSTJZSA-N 307.444 2.559 0 40 DFAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCN)C2=O)cc1 3308490 BDRAAOIUYHVTNF-JLHYYAGUSA-N 304.415 2.979 0 40 DFAB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(C)c1O 104543592 YGBGRCYRXYYPAF-DHDCSXOGSA-N 322.389 2.779 0 40 DFAB COc1ccc(C(=O)Nc2ncc(C)s2)c(OC)c1OC 10622949 CZEJDCAEQRBIDR-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB CN(C)S(=O)(=O)c1cccc(CSc2ccc(O)cc2)c1 37995712 BJLHMCJAVRKGFZ-UHFFFAOYSA-N 323.439 2.935 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1Cc1cccc2cccnc12 11215645 MMZRLLLLMHLAQJ-UHFFFAOYSA-N 324.361 2.580 0 40 DFAB O=C(CN1CCc2sccc2C1)Nc1cccnc1Cl 12863476 OZMWQZJXUCECQY-UHFFFAOYSA-N 307.806 2.793 0 40 DFAB CN1CC[C@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1=O 46690854 UXHIGICRGFPYAD-FUHWJXTLSA-N 314.429 2.903 0 40 DFAB CCOC(=O)c1ccc(-c2nnc(NC(=O)C(C)(C)C)o2)cc1 20496110 SVAJOUCBLOZKPI-UHFFFAOYSA-N 317.345 2.898 0 40 DFAB COC(=O)c1c(F)cccc1NC(=O)CSC(F)(F)F 171745075 SHNXGLZUEGESPK-UHFFFAOYSA-N 311.256 2.804 0 40 DFAB O=C(C[C@H]1CCCO1)N1CCC(c2nc3ccccc3[nH]2)CC1 47073209 AWBRLABHAPOAPE-CQSZACIVSA-N 313.401 2.838 0 40 DFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2F)c1 3581153 MBDAOHJQTPXKAC-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB Cn1ncc(N2CCC[C@@H](Nc3ccccc3)C2)c(Cl)c1=O 95415101 KOJVVFCVFOMEDO-CYBMUJFWSA-N 318.808 2.515 0 40 DFAB Cc1ccc(OCC(=O)NCc2ccc(F)cc2)c(C(=O)O)c1 13085738 BTRXWDVGUBATLB-UHFFFAOYSA-N 317.316 2.528 0 40 DFAB C[C@@H](N(C)C(=O)NCc1cccnc1-n1cccn1)C(C)(C)C 65439936 QHQJDAHQJIRNIK-CYBMUJFWSA-N 315.421 2.843 0 40 DFAB CC[C@H](C)[C@@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)C1CC1 65566064 JHJPHVSZGXIGSV-GXFFZTMASA-N 315.421 2.780 0 40 DFAB Cc1ncc(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)s1 65575084 OGGWATBPSFSIGG-UHFFFAOYSA-N 308.407 2.797 0 40 DFAB COc1ccc(CC[C@@H](C)NC(=O)NCc2ccccn2)cc1 65593124 VXDBRMNSOLWYBE-CQSZACIVSA-N 313.401 2.911 0 40 DFAB Cc1ccc(CC(=O)Nn2c(-c3ccco3)n[nH]c2=S)cc1 14197390 KTUZDXFYNOPPLS-UHFFFAOYSA-N 314.370 2.822 0 40 DFAB Cc1nn(-c2ccccc2)c(N)c(-c2nc3ccccc3[nH]2)c1=O 6665490 SKJGFBMSJGIORB-UHFFFAOYSA-N 317.352 2.666 0 40 DFAB O=C(NCc1nnc2n1CCCCC2)c1sccc1C1CC1 67143247 UZRHOOCIUBWEHS-UHFFFAOYSA-N 316.430 2.873 0 40 DFAB Cc1cc(N2CC[C@@H](N[C@@H](C)c3sccc3C)C2=O)n(C)n1 90171823 GIDFKTZUALRMEP-QWHCGFSZSA-N 318.446 2.555 0 40 DFAB O=C(c1nc2sccn2c1CN1CCCC1)N1CCCCC1 71730227 XUHAOEFNKZBOFS-UHFFFAOYSA-N 318.446 2.618 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1cccc(Cl)c1 7305321 ZYASGIBFYIACHY-MRVPVSSYSA-N 314.794 2.984 0 40 DFAB O=C(NC[C@@H](O)c1ccco1)Nc1nc(C(F)(F)F)cs1 97307862 HWLWAWLNQYRIIB-ZCFIWIBFSA-N 321.280 2.610 0 40 DFAB CC1CCN(C[C@H](O)CN2CCc3ccc(Cl)cc3C2)CC1 90614047 IPYGIRJDBMUWPC-SFHVURJKSA-N 322.880 2.791 0 40 DFAB Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccccc1 7751114 QNHPCGMZLVPELH-HNNXBMFYSA-N 310.397 2.992 0 40 DFAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1 9549338 YGRRCEIATWIZTH-UHFFFAOYSA-N 316.332 2.721 0 40 DFAB CCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 16639571 KSUVJRIWSMGUER-UHFFFAOYSA-N 308.809 2.718 0 40 DFAB COc1cc2c(cc1CNCc1ccccc1CO)O[C@@H](C)C2 71825338 QNKRUYBNHHWTQF-ZDUSSCGKSA-N 313.397 2.801 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCOCC(C)C)c1 70003999 OOMBHAQONUHYHI-INIZCTEOSA-N 307.438 2.635 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H]1Cn1cccn1 70016235 WLQWPLQITYQXED-MRXNPFEDSA-N 308.385 2.529 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N2CCOCC2)o1 69380780 DHSJRDUGGYDIPD-CQSZACIVSA-N 314.385 2.916 0 40 DFAB O=C(Cc1ccc2ccccc2c1)NCCC(=O)N1CCCC1 69554279 NPNBXUNPCYBPHJ-UHFFFAOYSA-N 310.397 2.511 0 40 DFAB CCc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1 19959434 COFBFUFUYGEWAH-UHFFFAOYSA-N 320.396 2.943 0 40 DFAB COc1c(Cl)cc(NC(=O)N2CCC[C@H](O)C2)cc1Cl 69628802 HHRYOFXVHDPDND-VIFPVBQESA-N 319.188 2.991 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 20453609 YDPBOLKMNHQEEY-CYBMUJFWSA-N 315.369 2.788 0 40 DFAB CN(CC1=NS(=O)(=O)c2ccccc2N1)C1CCCCCC1 69922335 MITMTUUXPWWGAE-UHFFFAOYSA-N 321.446 2.854 0 40 DFAB CCn1cc(CNc2ccc(C)c(N3CCOC3=O)c2)cn1 72743173 XHKFPCMEFFYLNE-UHFFFAOYSA-N 300.362 2.780 0 40 DFAB COc1cc(OC)c2nc(C)c(CN3CCCC3)c(O)c2c1 8717251 BABKKMRDDAYWNF-UHFFFAOYSA-N 302.374 2.862 0 40 DFAB O=C(Nc1ccc(Cl)cc1O)c1ccc(-n2cnnc2)cc1 97021308 FAJHKJBKQIROJU-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1 72298725 JHYUOGBQNXKMBT-LBPRGKRZSA-N 321.402 2.533 0 40 DFAB Cc1cccc(NC(=O)NCCc2nnc3n2CCC3)c1Cl 84219385 HLQBYCJJRIGEST-UHFFFAOYSA-N 319.796 2.550 0 40 DFAB COc1cccc2[nH]cc(CC(=O)N(C)[C@H](CO)C(C)(C)C)c12 97112945 PZXCDADYAREBHV-OAHLLOKOSA-N 318.417 2.584 0 40 DFAB COC(=O)CN(C(=O)c1cc(C)cc(F)c1)c1cccc(C)n1 95962646 KJYVAQIDGGQOGW-UHFFFAOYSA-N 316.332 2.657 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@H]1NC1CCN(c2ncccn2)CC1 95987795 GSEKDAUJHZEXFC-CVEARBPZSA-N 318.465 2.629 0 40 DFAB Cc1ccc(Oc2ccc(NC(=O)Cn3ccnn3)cn2)cc1C 89643240 QOMPPJGTEYJRCI-UHFFFAOYSA-N 323.356 2.721 0 40 DFAB CC[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1nc(C)n[nH]1 89943704 HCGWRJZCFOYETD-SMDDNHRTSA-N 308.426 2.808 0 40 DFAB Cn1c(C(=O)NCc2ncc[nH]2)cc2cc(C(F)(F)F)ccc21 76066037 OOEAIUFXQFTJLP-UHFFFAOYSA-N 322.290 2.850 0 40 DFAB c1ccc(CNc2ccc3nc([C@H]4CCCNC4)nn3c2)cc1 306131215 JYTMQDQEQXMAEY-HNNXBMFYSA-N 307.401 2.808 0 40 DFAB C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 75771461 ARJFZENEVLYQHO-WMLDXEAASA-N 309.413 2.535 0 40 DFAB CC(C)N1CCC[C@@H](c2cccc(CCC(=O)N(C)C)n2)C1 72360454 XUJLCPGEHPOEMC-OAHLLOKOSA-N 303.450 2.690 0 40 DFAB CCCCN1CCC(NC(=O)[C@H]2CCc3cccc(O)c32)CC1 562834668 QOFKJOOFLJOBCS-INIZCTEOSA-N 316.445 2.803 0 40 DFAB Cc1ccc2cc(CCNC(=O)c3cccnc3)c(=O)[nH]c2c1C 41170541 YQHWLHNEGFGQRK-UHFFFAOYSA-N 321.380 2.512 0 40 DFAB CCn1cc(C(=O)NCc2c(F)cccc2OC(F)F)cn1 73280670 UCVCFCKTUKMWBR-UHFFFAOYSA-N 313.279 2.574 0 40 DFAB CCCCOc1ccc(-c2nnc3n2CCOC3)cc1OC 568108919 RSNBDJWEAJKQCD-UHFFFAOYSA-N 303.362 2.663 0 40 DFAB COc1cccc(-c2nnc(NCc3cncs3)o2)c1OC 186043031 QUCPLJKAIUUSTE-UHFFFAOYSA-N 318.358 2.822 0 40 DFAB COc1cc2c(cc1S(=O)(=O)Nc1cccnc1)CCCC2 225233936 XOVRUZOTFWIKSL-UHFFFAOYSA-N 318.398 2.770 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225213612 JPAYRBVTRSVHFW-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB c1ccc(-n2ccc(CCNc3ncnc4ncccc34)n2)cc1 195545106 DSUQBHFHSWKFGK-UHFFFAOYSA-N 316.368 2.865 0 40 DFAB COc1ccc(CN(C)C(=O)COc2ccccc2F)cc1 49535064 ZQDMZEFFGBEZQL-UHFFFAOYSA-N 303.333 2.872 0 40 DFAB C[C@H](Sc1nnc(COc2ccccc2Cl)[nH]1)C(=O)O 224974933 LOTHFQQNYHSSNH-ZETCQYMHSA-N 313.766 2.602 0 40 DFAB COc1cccc(OC)c1OCc1cccc(C(=O)N(C)C)c1 69708970 SFOHLAPSYSDAGW-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl 86280262 YDPNALILVKEPGO-KOLCDFICSA-N 314.744 2.942 0 40 DFAB CCN1CC[C@@H](NCCCc2nc3ccccc3n2C)[C@@H](C)C1 195548895 KZYVQLMELLATGB-JKSUJKDBSA-N 314.477 2.826 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc2c[nH]nc2c1 192545326 DPHHSLHQMGJMQZ-UHFFFAOYSA-N 317.352 2.930 0 40 DFAB CCc1cc(NC(=O)Cc2c(C)nn(C(F)F)c2C)nc(C)n1 96425624 AWAOMZQAMRJCNH-UHFFFAOYSA-N 323.347 2.737 0 40 DFAB O=C(NCCc1nnc(-c2ccccc2)o1)[C@@H]1C[C@@H]1c1ccco1 96450012 HZKJNIVPSUHYTO-UONOGXRCSA-N 323.352 2.792 0 40 DFAB NC(=O)CCN(Cc1ccncc1Cl)c1ccc(F)cc1 96445708 IUFHQKWYJIRFCU-UHFFFAOYSA-N 307.756 2.756 0 40 DFAB O=C(c1ccccc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072484 ZSIDXVMINHIEGO-HKUYNNGSSA-N 324.380 2.534 0 40 DFAB C[C@]1(CNC(=O)N[C@@H]2CCc3c(O)cccc32)CCCS1 96467209 KVNMDXOLRIBPMD-CZUORRHYSA-N 306.431 2.964 0 40 DFAB CCCCCN1CCC[C@]12CCCN(C(=O)CCC(=O)OC)C2 96071317 YLEHNILZFNMCHI-SFHVURJKSA-N 324.465 2.587 0 40 DFAB O=C1C[C@H]2[C@@H](CCN2Cc2ccsc2)N1Cc1cccnc1 96183981 RHIVUTHJRHIWMY-CVEARBPZSA-N 313.426 2.519 0 40 DFAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1cccs1 96062036 HVNFVZODBOMMQY-CYBMUJFWSA-N 313.430 2.766 0 40 DFAB COC[C@H]1CN(C)C[C@@]12CCN(Cc1cc(C)cc(C)c1)C2 96217084 NJJYSBFOOJLQPL-RTBURBONSA-N 302.462 2.704 0 40 DFAB CN1C(=O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1c1cccnc1 583616597 PFDZTNAXTOOWHZ-WBVHZDCISA-N 315.804 2.797 0 40 DFAB CN(CC(C)(C)O)C(=O)NCc1cccc(OC2CCCC2)c1 95411234 CEBCBZULFKYNOR-UHFFFAOYSA-N 320.433 2.920 0 40 DFAB Cc1cc(C)n([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)n1 91211784 IXVQUHSAJWBCRT-HNNXBMFYSA-N 323.400 2.563 0 40 DFAB CCN(CC)C(=O)C[S@@](=O)[C@@H](C)c1ccc(F)c(F)c1 96448132 VMKDXVSEBGIFDR-FVINQWEUSA-N 303.374 2.643 0 40 DFAB Cc1nnc2ccc(NCCc3c[nH]c4ccc(F)cc34)nn12 96408682 ZUGHXMPMSKOITK-UHFFFAOYSA-N 310.336 2.708 0 40 DFAB Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)CC(C)C)C[C@H]2C1 96246159 UTPLLGBRKGHPJO-JKSUJKDBSA-N 319.449 2.618 0 40 DFAB c1ccc(O[C@@H]2CSC3(C2)CN(Cc2ccoc2)C3)nc1 247965742 QJVSPKUXKIQMIG-AWEZNQCLSA-N 302.399 2.814 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)Cc2ccc(C)s2)n1 257278124 OAXQCRNQYCJFTN-AWEZNQCLSA-N 316.430 2.794 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)c(O)n1 257342628 ZPMDTNOJYKRGQM-OAHLLOKOSA-N 311.385 2.586 0 40 DFAB CCOc1ncccc1C(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257217148 CXSDOWKOJORUQY-SIIHOXLZSA-N 318.417 2.900 0 40 DFAB CCn1nc(C)cc1CNC(=O)c1oc2ccccc2c1OC 252497353 QERPESDMUKICTP-UHFFFAOYSA-N 313.357 2.896 0 40 DFAB COc1ccc([C@H]2Cn3ccnc3CN2Cc2c[nH]nc2C)cc1 257269722 MRCLUWJTMUASHH-QGZVFWFLSA-N 323.400 2.680 0 40 DFAB CCS(=O)(=O)N1c2ccc(Br)cc2C[C@H]1C 260753625 ZZTRVKAZRQGKAI-MRVPVSSYSA-N 304.209 2.550 0 40 DFAB O=C(NCCCc1ccccc1)NCC[C@@H](O)c1ccoc1 96103323 PNGFTRMXNBLNEW-MRXNPFEDSA-N 302.374 2.635 0 40 DFAB NC(=O)c1ccc(OCC(=O)c2ccc(F)c(Cl)c2)cc1 72290063 HUKRVWNKZHAESE-UHFFFAOYSA-N 307.708 2.840 0 40 DFAB O=c1cc(CNc2c(F)cc(F)cc2F)nc2sccn12 72312408 AMJSJOSFSIMKJG-UHFFFAOYSA-N 311.288 2.785 0 40 DFAB COC(=O)N(C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 47958727 NLDRXOHAVHMVDC-LLVKDONJSA-N 308.403 2.602 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 47042253 ZWBYSBIQCUCQOX-CHWSQXEVSA-N 315.373 2.660 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2nnc(C(F)F)s2)s1 49043573 CRSHKTYGECLHLL-UHFFFAOYSA-N 319.314 2.576 0 40 DFAB CCS(=O)(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1 74997524 DWYRCPGOCWHBEN-UHFFFAOYSA-N 319.382 2.769 0 40 DFAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)C[C@H]1CCCO1 102386643 OEDWUNAOJCWAKW-DZJNRPSUSA-N 312.413 2.801 0 40 DFAB CC(C)N1CCC(N2CCCC[C@]3(C)[C@H]2CCC(=O)N3C)CC1 1615156769 WZPODXQYEIQLMM-IEBWSBKVSA-N 321.509 2.725 0 40 DFAB CN1c2ccccc2C[C@@H](C(=O)N2CCOCC2)c2ccccc21 5393799 WRDWBJBUIWXRLD-QGZVFWFLSA-N 322.408 2.953 0 40 DFAB CC(=O)c1ccc(OCC(=O)NCc2ccccc2F)cc1 5630629 KMYXGVAGSAYQNJ-UHFFFAOYSA-N 301.317 2.724 0 40 DFAB C[C@@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@@H]1O 12148138 OSQMEDIKTBFXHM-QAPCUYQASA-N 312.413 2.863 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C1 9815734 FPESDVNZHKVGDG-QWRGUYRKSA-N 321.446 2.539 0 40 DFAB Cc1ccc(OCC(=O)NCC2CCN(C(C)C)CC2)cc1 12442790 CZFBHSIQFNKAKT-UHFFFAOYSA-N 304.434 2.610 0 40 DFAB CCN(Cc1ccccc1)C(=O)c1nn(C)c(=O)c2ccccc12 6879212 QAGFIMBIDHOILE-UHFFFAOYSA-N 321.380 2.596 0 40 DFAB Cc1cc(CCNC(=O)Cc2cccc3ccccc23)nn1C 245180736 ZIQRXJQVTRSROX-UHFFFAOYSA-N 307.397 2.783 0 40 DFAB CC(C)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037839769 CPMMTRXLWMWUGH-SFHVURJKSA-N 320.408 2.822 0 40 DFAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1 4272587 DZTXESDVNFVZBA-AWEZNQCLSA-N 324.384 2.625 0 40 DFAB O=C(CCc1ccccc1)NC[C@@H]1COC2(CCCCC2)O1 4941186 OMMYVDOEBRSPHR-MRXNPFEDSA-N 303.402 2.811 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 16916318 VXIAHQGRWXOIRQ-UHFFFAOYSA-N 324.380 2.785 0 40 DFAB CC(=O)NCc1ccc(-c2nc(NC(C)=O)sc2C)s1 30870640 CNYXBBKHFDGDSM-UHFFFAOYSA-N 309.416 2.775 0 40 DFAB CC(C)NC(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 40108601 ZYCKIUWRIOCBMV-INIZCTEOSA-N 321.465 2.823 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 31979541 PZDCDGICXOMINC-KBPBESRZSA-N 316.357 2.641 0 40 DFAB Cn1c(-c2ccc(O)cc2O)cs/c1=N\Cc1cccnc1 101719707 CKYAQUAXRAZODY-VLGSPTGOSA-N 313.382 2.661 0 40 DFAB Cc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 386350 QIPRFQKXLJKLAP-INIZCTEOSA-N 308.381 2.950 0 40 DFAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(OCC)cc1)C(C)C 32913997 KBIYIJXVWBDOHH-CQSZACIVSA-N 308.378 2.795 0 40 DFAB Cc1ccccc1[C@@H]1CCCN1Cc1nc(O)c2cnn(C)c2n1 52833459 CTKMKKVUOJYIEB-HNNXBMFYSA-N 323.400 2.714 0 40 DFAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(-n2cnnn2)c1 33235384 ZYBBKLMIMQXAMS-NSHDSACASA-N 313.386 2.557 0 40 DFAB CC(C)(C)NC(=O)c1ccc(NC(=O)C2CCOCC2)cc1 22902130 XSQADUURVNFPFK-UHFFFAOYSA-N 304.390 2.580 0 40 DFAB CCOCCC(=O)N[C@H]1CCc2c(Br)cccc21 76822692 VUZROKLBXYESNP-ZDUSSCGKSA-N 312.207 2.979 0 40 DFAB CCOC(=O)CSc1nnc(COc2ccccc2C)o1 421954 ZTKVHBVQDBCUTB-UHFFFAOYSA-N 308.359 2.612 0 40 DFAB CCCCOC(=O)c1ccc(NC(=O)c2cnsn2)cc1 47410220 IGDDUOZEIFNFKV-UHFFFAOYSA-N 305.359 2.747 0 40 DFAB Cc1cc(C)cc(OCC(=O)NNC2=CC(=O)CC(C)(C)C2)c1 516728 YOOQQUQIVUUXJK-UHFFFAOYSA-N 316.401 2.576 0 40 DFAB O=C(c1cccs1)N1CCC[C@H](c2nnc3ccccn23)C1 12407873 KRHSRLSXAAHIJI-LBPRGKRZSA-N 312.398 2.811 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cccnc2-n2cccn2)c1 23177364 LCLOUMSWZXONAY-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB CC(=O)OCc1c(COC(C)=O)c(C(F)(F)F)n2c1CCC2 1557870 KYDAIGIECKWELE-UHFFFAOYSA-N 319.279 2.579 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)n1 12528023 GSZIWRNGCPILNQ-ZDUSSCGKSA-N 313.357 2.643 0 40 DFAB O=C(NCCCNc1ncccn1)c1cc2ccccc2cc1O 42757916 UUWBJPWWLZLWNS-UHFFFAOYSA-N 322.368 2.567 0 40 DFAB Cc1cc2c(cc(C(=O)OCC(=O)NC3CCCC3)n2C)s1 4967147 UJARHDBPSUERRT-UHFFFAOYSA-N 320.414 2.764 0 40 DFAB C[C@H](Cc1ccsc1)N1CCN(C(=O)c2ccncc2)CC1 97084195 XIPKJQBBVLTFAR-CQSZACIVSA-N 315.442 2.532 0 40 DFAB C=Cn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 10119575 LWLOTDJFECZXAK-UHFFFAOYSA-N 321.340 2.605 0 40 DFAB O=C(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)NC1CC1 25397302 QTOYDDHPNQNRAX-LJQANCHMSA-N 306.409 2.913 0 40 DFAB O=C(NCCCOCCc1ccccc1)Nc1nccs1 56990671 GMVLEOSYCXNDSB-UHFFFAOYSA-N 305.403 2.914 0 40 DFAB COc1ccc(NC(=O)NCCCCN2CCCC[C@@H]2C)cn1 48018191 UFGVLYQJEMCFFO-AWEZNQCLSA-N 320.437 2.866 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Cl)c(N)c1 3254794 ZSDOYPFWKRGLFG-QWRGUYRKSA-N 324.808 2.869 0 40 DFAB C/C=C/c1ccc(OCC(=O)OCc2nc(C)no2)c(OC)c1 23382297 IMSMORJRQYKLKB-SNAWJCMRSA-N 318.329 2.542 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1cccc(Cl)c1F 12621889 QSUQLDMXYRTALS-UHFFFAOYSA-N 310.712 2.831 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccnc1Cl 12618554 XCDHKFDSMVVCQF-PHIMTYICSA-N 310.781 2.681 0 40 DFAB Cc1nc(NC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)sc1C 58363322 JTYZMGYZAMIXFL-STQMWFEESA-N 312.435 2.919 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)c1cn(C)c2ccccc12 58341517 SANJIGODISUGGF-UHFFFAOYSA-N 310.401 2.963 0 40 DFAB COc1ccc(F)cc1[C@@H](C)NCc1c(C)nn(C)c1N(C)C 58421090 WPGUFWOIDUUKRA-LLVKDONJSA-N 320.412 2.793 0 40 DFAB CC(=O)Nc1ccc(CC(=O)n2cccc/c2=N\C(C)C)cc1 102833697 RVOUKMDKEOBBNV-HTXNQAPBSA-N 311.385 2.639 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccncc1Br 97148373 ZPPZYJISDVEPIW-GHMZBOCLSA-N 300.152 2.568 0 40 DFAB CC(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)s1 29295195 OLDMIIQNOVVCGN-UHFFFAOYSA-N 307.346 2.899 0 40 DFAB C[C@@H]1c2cccn2CCN1C(=O)c1cnn(Cc2ccccc2)c1 29380294 AQMYLOQWLGPWMK-OAHLLOKOSA-N 320.396 2.950 0 40 DFAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccn1 12042881 IHUDQQJSIGITPD-UHFFFAOYSA-N 312.778 2.935 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1nc2ccc(F)cc2s1 71280750 IUAGVVBNQDQZPC-VHSXEESVSA-N 308.334 2.731 0 40 DFAB Fc1ccc(-c2nnc3sc(-c4cnccn4)nn23)cc1F 71284476 HQKXWYWOGGRYNJ-UHFFFAOYSA-N 316.296 2.588 0 40 DFAB Cc1ccc(C)c(CSCc2nc(N)nc(N(C)C)n2)c1 9156229 IOTJKOJNYXXICX-UHFFFAOYSA-N 303.435 2.570 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2F)o1 49911749 LHYGABLOLGXWTR-GFCCVEGCSA-N 303.289 2.775 0 40 DFAB C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-n2cncn2)nc1 65443551 UICTUCKGJFVRPM-GXTWGEPZSA-N 314.393 2.705 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](C)OC(C)(C)C2)c1 65541399 ZTDQLIMJKBCITB-OCCSQVGLSA-N 319.401 2.682 0 40 DFAB Cc1cccc(C)c1OC1CCN([C@H]2C[C@H](C)OC2=O)CC1 65554636 IZCAEBBGIVRNRM-HOCLYGCPSA-N 303.402 2.851 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 67287571 MCVFTYBZMRHQDH-UHFFFAOYSA-N 322.796 2.762 0 40 DFAB CC(C)NC(=O)CNC(=O)c1ccc(SC(F)(F)F)cc1 7116321 RVWGXGRASKLXLY-UHFFFAOYSA-N 320.336 2.553 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(N2CCCC2)nc1 47524964 XFXJWUCLMPSQPF-CQSZACIVSA-N 318.421 2.572 0 40 DFAB O[C@H](CNC12CC3CC(CC(C3)C1)C2)COCc1ccco1 7779306 FVIHCUBQMJVXNP-QFQXCOSMSA-N 305.418 2.716 0 40 DFAB COc1cc(CNCc2ccc([C@@H](C)O)cc2)cc2c1OCO2 71825323 KMZTVVANLIFLPX-GFCCVEGCSA-N 315.369 2.767 0 40 DFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]1Cn1cncn1 69668297 GIFHHEIXWVOWSY-UKRRQHHQSA-N 324.388 2.554 0 40 DFAB O=c1[nH]nc(SCc2ncc(-c3ccccc3)o2)n1C1CC1 8503978 FJGBGLAHFUWABM-UHFFFAOYSA-N 314.370 2.854 0 40 DFAB COc1cc(CNC(=O)NC[C@H]2CC=CCC2)cc(OC)c1O 69743801 HHCPCHRMMSUMLX-LBPRGKRZSA-N 320.389 2.565 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 71902861 YAZFPYPWLVLPNH-GDBMZVCRSA-N 307.438 2.752 0 40 DFAB Cc1cccc([C@H](C)OC(=O)COc2cccc(C(N)=O)c2)c1 71914354 RRIWIYGRWTXHOM-ZDUSSCGKSA-N 313.353 2.777 0 40 DFAB O=C(Nc1cccc2cccnc12)N[C@H](CO)Cc1ccccc1 71926316 JPTYSIZCBYLUAD-INIZCTEOSA-N 321.380 2.960 0 40 DFAB O=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CC[C@@H](O)C1 95411792 YSJMEWRPZNQIOB-GFCCVEGCSA-N 318.760 2.734 0 40 DFAB O=C1C[C@H](CNc2nnc(C3CC3)s2)c2ccccc2N1 84578858 BPLZSYPFRMMATA-SNVBAGLBSA-N 300.387 2.953 0 40 DFAB O[C@H](COc1cccc2[nH]ccc12)Cn1cc(-n2cccc2)cn1 95974783 BRHWUDTWAAEJGU-HNNXBMFYSA-N 322.368 2.595 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(CN)o1 95971714 AFJJURXEOLNPIV-CQSZACIVSA-N 313.401 2.609 0 40 DFAB Cc1cc(C)n(CCCNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1 95995209 JUEYKSJAVGOXSX-CQSZACIVSA-N 322.453 2.535 0 40 DFAB CNC(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)n1 89392003 MAZRTBNKVKCDOU-INIZCTEOSA-N 324.384 2.714 0 40 DFAB O=C(C[S@@](=O)c1ccc(O)cc1)NCCC1CCCCC1 89793203 ZMNKKZISYDQBHS-NRFANRHFSA-N 309.431 2.586 0 40 DFAB O=C([C@H]1CCCN1C(=O)C1CCCC1)N1CCCCCCC1 89819003 ZTWIWTUTXFJVHU-MRXNPFEDSA-N 306.450 2.960 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2nc3ccccc3n2C)no1 75573264 CVIDAGBWACICLD-AWEZNQCLSA-N 311.389 2.856 0 40 DFAB CCNC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21787701 LLKORLZPZMGBRS-UHFFFAOYSA-N 323.352 2.919 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NCc1cccc2ccccc12 63764517 YMYMICTWHZOCDJ-UHFFFAOYSA-N 316.382 2.923 0 40 DFAB COCCNCC(=O)N1c2ccccc2CCc2ccccc21 35311536 UHONZOSBODKFQU-UHFFFAOYSA-N 310.397 2.686 0 40 DFAB COC(=O)COc1cccc(NC(=O)c2cc(Cl)ccn2)c1 32824835 UIRPZECFODXYPB-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 4896199 CXGDRQWRJUSSAR-KMDKCDOHSA-N 308.462 2.722 0 40 DFAB biogenic O[C@H]1CCCN(c2ncc(-c3ccccn3)c(-c3ccco3)n2)C1 72396554 WDQUQPKATIXLTN-ZDUSSCGKSA-N 322.368 2.760 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(F)cc2)cc1 38752780 SJQQEGCICDTLKJ-UHFFFAOYSA-N 323.345 2.554 0 40 DFAB Nc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)cs1 72368686 BEEHUPMOLOPSML-ZDUSSCGKSA-N 301.415 2.674 0 40 DFAB Cn1cc(-c2noc([C@@H]3CCC[C@H](C(F)(F)F)C3)n2)nn1 565775545 YMEGHVALGKGXPM-SFYZADRCSA-N 301.272 2.701 0 40 DFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cc2c(cc1O)CCCC2 71285977 WZOFDUSFSXBODD-KBPBESRZSA-N 303.358 2.566 0 40 DFAB COc1ccc(C(=O)NCc2ccc(OC)cc2OC)cc1 72331538 IUXYZNVEIVDPEO-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB O=C(Cc1ccccc1F)N[C@H]1CCCN(c2ccccn2)C1 131085907 ZQPCSVFGFQUGCF-HNNXBMFYSA-N 313.376 2.548 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1C 226388664 BCNNJHDWOXQMDX-ZXLDYLNASA-N 322.408 2.726 0 40 DFAB O=C(NC[C@H](CC1CC1)C(=O)O)c1cnc2ccsc2c1 571051893 COOYGYGOEOIVJC-NSHDSACASA-N 304.371 2.527 0 40 DFAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 40088059 LHRQXDLFVQMLGV-INIZCTEOSA-N 316.307 2.774 0 40 DFAB O=c1c2ccsc2ncn1C[C@@H](O)c1ccccc1Cl 48367682 JRWYSWGRSYVQHI-GFCCVEGCSA-N 306.774 2.845 0 40 DFAB O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H]1c1ccsc1 195539653 VXKUUEODTULGTG-ZIAGYGMSSA-N 315.460 2.784 0 40 DFAB O=S(=O)(c1ccccc1F)N1CCSc2ncccc21 96483550 MUUCQBYTKYPSCD-UHFFFAOYSA-N 310.375 2.522 0 40 DFAB CC1(C(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)CCCC1 577497065 WZMVNQGVOONGPK-SFHVURJKSA-N 301.386 2.822 0 40 DFAB COC[C@@H]1CCC2(CCN(Cc3nc(C)cs3)CC2)N1C 96206546 UYAJMTWSEDPTQX-AWEZNQCLSA-N 309.479 2.527 0 40 DFAB COc1ccc([C@H](O)Cn2nccc2-c2ccncc2)cc1F 95438829 CZDIAJKFMNSDCY-MRXNPFEDSA-N 313.332 2.826 0 40 DFAB c1nc2c(c(C3CC3)n1)CCN(Cc1ccc3c(c1)OCO3)CC2 96255082 VDAIWCZXRCSYFE-UHFFFAOYSA-N 323.396 2.684 0 40 DFAB c1cncc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218961 BJJMMGAIUOGYAJ-WBVHZDCISA-N 315.442 2.989 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H](c2ccsc2)O1 96469930 HMKKKCIDBHROQT-ZYHUDNBSSA-N 323.443 2.605 0 40 DFAB c1csc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)n1 96056411 BKRUFYZIFFYFMA-RBSFLKMASA-N 308.447 2.692 0 40 DFAB C[C@@H]1C[C@H]1[C@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1 95397614 UBIUKTAEBXAJLR-MZMPZRCHSA-N 314.429 2.806 0 40 DFAB Cn1cc(CCC(=O)NCc2ccc(-c3cccnc3)cc2)cn1 96433319 FTCWDEDMMNFHJJ-UHFFFAOYSA-N 320.396 2.731 0 40 DFAB O=C(c1ccco1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186420 AQDDWDYIYDYNTJ-GJZGRUSLSA-N 310.353 2.690 0 40 DFAB OCc1ccc(I)c(C(F)(F)F)c1 98095426 YYONAVLDVPQGJH-UHFFFAOYSA-N 302.033 2.802 0 40 DFAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccnc(C)n2)C1 96462868 RCGPRQHHAZYIRN-KBPBESRZSA-N 308.451 2.601 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 245339435 SSXFEHZQFYVOLK-HIFRSBDPSA-N 304.459 2.676 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 245230415 RDSKNGRXGFLMMM-JKOKRWQUSA-N 304.415 2.948 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 248110844 HFHZFOCWFVKYHD-UXHICEINSA-N 307.441 2.929 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ncc(C)s2)C1 257336380 YODRKEXBWJCXIL-SNVBAGLBSA-N 322.459 2.885 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)Cn3ccnc3C)CC2)s1 257229869 FZVCACYARDZLFY-UHFFFAOYSA-N 318.446 2.537 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2ccccn2)C1 257270396 MUBOBIOTPDCMMD-OAHLLOKOSA-N 313.401 2.710 0 40 DFAB OCc1ccccc1CN[C@@H](c1ccc(F)cc1)c1ncc[nH]1 252482827 DONFFMNTWTXASL-KRWDZBQOSA-N 311.360 2.920 0 40 DFAB O=C(NC[C@@H]1CCCCN1CCC1(O)CCC1)c1ccccc1 663039429 GWWQXIUSGPFYAC-KRWDZBQOSA-N 316.445 2.576 0 40 DFAB CC(C)C[C@@H](C(=O)O)N1CCC([C@@H](O)c2ccccc2)CC1 846233954 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CCOc1ncccc1NC(=O)N[C@H](C)Cc1c(C)noc1C 96415127 HOMXWXHWMDMULN-SNVBAGLBSA-N 318.377 2.838 0 40 DFAB Cc1nc(C(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)cs1 248050192 SBNLSHBJSMDWNS-LBPRGKRZSA-N 324.471 2.578 0 40 DFAB COc1ncccc1C(=O)N1CCC(Cc2ccncc2)CC1 257321573 WCFFCLCQPADRTD-UHFFFAOYSA-N 311.385 2.580 0 40 DFAB Cc1cc([C@H](C)NC(=O)N2CCCN(C3CC3)CC2)c(C)o1 64228689 HSQAJLDQPLTUAP-ZDUSSCGKSA-N 305.422 2.837 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1OC 257337144 YROPCWBKCKYBMA-PBHICJAKSA-N 318.417 2.519 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1 257266171 MBVXAYBVWGGEAD-MRXNPFEDSA-N 312.417 2.937 0 40 DFAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccccn2)n1 257264780 LVZULKHPZZTYQS-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](n2cnc3cnc(Cl)nc32)C1 725325896 HWQWUGRXBYJQHH-SECBINFHSA-N 323.784 2.662 0 40 DFAB CCc1cc(CN2CC[C@H](Cc3cccc(F)c3)[C@@H](O)C2)on1 585279952 UJODNLDFKCBJFC-KDOFPFPSSA-N 318.392 2.802 0 40 DFAB O=C(Nc1ccncn1)N[C@H](c1ccccc1)C1(CO)CCC1 585140533 GVMLQFLBOQCFFI-OAHLLOKOSA-N 312.373 2.502 0 40 DFAB Cc1nc2cc3c(cc2n1CC1(O)CCCCC1)OCCO3 65172284 BXGBXWWKRIDNEW-UHFFFAOYSA-N 302.374 2.811 0 40 DFAB CC(C)COCCC(=O)NCc1ccccc1-n1cccn1 58209952 MVSPYEFOSKTMKV-UHFFFAOYSA-N 301.390 2.551 0 40 DFAB CC(=O)NCC1CCN(C(=O)C(C)(C)c2ccccc2C)CC1 58699074 QWTUYZVQMIUXGU-UHFFFAOYSA-N 316.445 2.647 0 40 DFAB Cc1nccn1CCCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 74533956 NEUADZVBPKGYFS-HOTGVXAUSA-N 304.438 2.946 0 40 DFAB Cc1cccc(CNC(=O)Cn2ccc(=O)c3sccc32)c1 76065354 DEWIWHJSXIPPKZ-UHFFFAOYSA-N 312.394 2.688 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc[nH]2)cc1 583615998 ANJHQYVEZQKIDI-SJLPKXTDSA-N 314.385 2.536 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 5405794 PVSVDSKLCYNNOH-CJNGLKHVSA-N 316.401 2.815 0 40 DFAB CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 14257763 MSSNBWKXLIUCJE-UHFFFAOYSA-N 307.419 2.750 0 40 DFAB COCCN1CCCC[C@H]1c1csc(Nc2ncccn2)n1 607853163 GHRXVTBXIWFVSY-ZDUSSCGKSA-N 319.434 2.850 0 40 DFAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 179795 SNNUXGTWKBJVKO-ZDUSSCGKSA-N 304.371 2.936 0 40 DFAB O=C(NCCc1ccc(F)cc1)c1nccc(C(F)(F)F)n1 1888863799 UMEBOCAFWLZYNU-UHFFFAOYSA-N 313.254 2.607 0 40 DFAB Cc1ccccc1NCCC(=O)Nc1cccc(NC(N)=O)c1 24436637 FXOXLVOXWVKIIN-UHFFFAOYSA-N 312.373 2.926 0 40 DFAB C[C@H](CSC(C)(C)C)Nc1cccc(S(N)(=O)=O)c1 225425329 UUDWNQDJMDHIJY-SNVBAGLBSA-N 302.465 2.666 0 40 DFAB C[C@H](OC(=O)[C@@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)C(=O)O 2061000878 VTOIVQBWGYJQOU-SLEUVZQESA-N 318.369 2.718 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)c1ccc2[nH]nnc2c1 8778872 BIQSHIVCGVZFAN-UHFFFAOYSA-N 300.749 2.584 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 9134316 VYHSAONLZMNWTA-UHFFFAOYSA-N 324.336 2.577 0 40 DFAB CCN1C(=O)Cc2cc(NS(=O)(=O)C3CCCCC3)ccc21 10063720 OTQKWYLWWLILAL-UHFFFAOYSA-N 322.430 2.670 0 40 DFAB Cc1cc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)n[nH]1 12323732 UCGKZHIWKKKVEN-UHFFFAOYSA-N 318.312 2.830 0 40 DFAB Cc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3c2cc(C)nc(N)n2)cc1 12113119 OSUYAHROIGVMQS-MCPYQZEQSA-N 324.428 2.695 0 40 DFAB O=C(NCC(F)(F)F)c1ccn(-c2ccccc2Cl)n1 50310707 NNIDQVAZLXWFSW-UHFFFAOYSA-N 303.671 2.818 0 40 DFAB CCOc1ccc(CN(C)CC(=O)Nc2nccs2)cc1 40473329 NRRQYBTXBOCGOG-UHFFFAOYSA-N 305.403 2.612 0 40 DFAB CC[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)c1ccccc1 40489195 BKQIYVGGTZBLGV-INIZCTEOSA-N 302.418 2.507 0 40 DFAB O=C(NC1CCCC1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1 100816181 GPLZZHLPOSMXDE-BHYGNILZSA-N 312.413 2.739 0 40 DFAB CCC(C)(C)NC(=O)CCc1nc(Cc2ccccc2)no1 40530020 FZKOOWXGFRVMNK-UHFFFAOYSA-N 301.390 2.898 0 40 DFAB O=C(c1[nH]nc2c1CCCC2)N1CC[C@@H](Nc2ccccc2)C1 102899070 LRWJUMUYDVHQAD-CQSZACIVSA-N 310.401 2.615 0 40 DFAB O=C(COC1CCCC1)NCc1cc(-c2ccccc2)no1 52991403 HRBSBGMBUAYNHU-UHFFFAOYSA-N 300.358 2.917 0 40 DFAB C[C@H](NC(=O)CCNC(=O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104097357 AICZDAOFFMVHKW-NXNVCVFFSA-N 314.429 2.747 0 40 DFAB Cc1ccc(C)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1C 144569 FLBSFOSNLXPRGB-UHFFFAOYSA-N 312.369 2.728 0 40 DFAB COc1cccc([C@H](NC(=O)c2cn[nH]c2C)c2cccnc2)c1 95395696 QGABOPDECRIGJN-KRWDZBQOSA-N 322.368 2.641 0 40 DFAB CCC(CC)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 95399311 FWIZEXHSYVSFJP-HZPDHXFCSA-N 306.450 2.672 0 40 DFAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ncn[nH]1 23143460 TWWFMIBKWYUBEB-UHFFFAOYSA-N 309.329 2.566 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c(C)c1 1329888 BLXYIRHVGASDKQ-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB COc1ccc2oc(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)c(C)c2c1 78894504 GDIFJJBUFWERSK-NHYWBVRUSA-N 316.401 2.772 0 40 DFAB Cc1nccn1Cc1cccc(CNc2ncnc3[nH]cnc23)c1 79016637 ACNJSQWHPXYVTM-UHFFFAOYSA-N 319.372 2.518 0 40 DFAB Cc1cc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1 23387300 KLJZMLJMEVCGHE-ZJUUUORDSA-N 306.284 2.599 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nncs2)cc1 3389374 FEPKQFIRENKJEP-SECBINFHSA-N 307.400 2.860 0 40 DFAB O=C(Nc1nccs1)N[C@@H]1CCN(Cc2ccccc2)C1 42753410 GFVMEMUINVIIFK-CYBMUJFWSA-N 302.403 2.539 0 40 DFAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1C1CC1 4549383 CMBIFHDXBLNXJR-UHFFFAOYSA-N 321.384 2.976 0 40 DFAB Clc1cc(CNC2CCN(C3CC3)CC2)cc2c1OCCO2 55043122 QCFIISPJTZMGIA-UHFFFAOYSA-N 322.836 2.828 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 6455452 KVPQKHBBBQJARH-BLTAXRJOSA-N 324.163 2.826 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1C 8265004 JMZIXURETMVDFN-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB COc1cccc(CNC(=O)c2cncc(Br)c2)c1 8379252 IHHJPZZFXFJFTH-UHFFFAOYSA-N 321.174 2.783 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@@H](O)c2ccc(F)cc2F)cn1 106837344 MZIXJTAUNBGQEB-HZPDHXFCSA-N 307.344 2.569 0 40 DFAB COC(=O)c1cccc(CS[C@H](C)C(=O)NCC(C)C)c1 25689382 KIOOXOQVOXKUEG-GFCCVEGCSA-N 309.431 2.867 0 40 DFAB CC(C)[C@H](C)NC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762728 PLFKVKSDJXBJMK-HNNXBMFYSA-N 319.449 2.727 0 40 DFAB CC(C)COCCCNC(=O)Nc1cccc(-c2nnco2)c1 44086460 QMTJHOXQXNRCSD-UHFFFAOYSA-N 318.377 2.921 0 40 DFAB CCn1ccc2ccc(NC(=O)N[C@](C)(CCO)COC)cc21 89309958 LBCNCMJSOVWGON-QGZVFWFLSA-N 319.405 2.570 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H](Nc2ccccc2)C1 108119888 XSGHIMZJMCHXAA-VVLHAWIVSA-N 300.402 2.657 0 40 DFAB Cc1cccc(NC(=O)NC2CCN(C3CCOCC3)CC2)c1 59916540 LETSIVWJLLQEAL-UHFFFAOYSA-N 317.433 2.760 0 40 DFAB CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1 56162420 TZQGMEGCEZCFJB-LLVKDONJSA-N 321.421 2.759 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1cccc(Br)c1 3345265 FHOQONPWYOXCKB-UHFFFAOYSA-N 323.190 2.814 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2csc(C)n2)n1 75129806 WCFGQNFONWECSB-CQSZACIVSA-N 318.446 2.960 0 40 DFAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 75146879 OCNFEPYVLWBURL-STQMWFEESA-N 324.446 2.988 0 40 DFAB COC1CCN(C(=O)NCCc2cccc3cccnc23)CC1 45410638 VIJNYNULBGMVST-UHFFFAOYSA-N 313.401 2.598 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 28875719 VCUNNQQVXZHYQB-ZDUSSCGKSA-N 314.385 2.512 0 40 DFAB O=c1c(Cc2cccc3ccccc23)c(O)nc2n1CCS2 10382072 KRMXTTUNCBVWML-UHFFFAOYSA-N 310.378 2.799 0 40 DFAB Cc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2N)cc1 28405839 BMEQXNSXTUIOFX-UHFFFAOYSA-N 313.382 2.596 0 40 DFAB C[C@@H](CO)[C@@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 84640220 WWERARDCVAXZBU-WDEREUQCSA-N 315.335 2.870 0 40 DFAB C[C@H](CO)[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 84640225 WWERARDCVAXZBU-MNOVXSKESA-N 315.335 2.870 0 40 DFAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NCc1cccs1 3432936 PFAQPXZXEQDCIG-VMPITWQZSA-N 319.357 2.760 0 40 DFAB C[C@@H]1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H](C)O1 84706083 JRPBVLMWYGJZQI-IIHSZXCVSA-N 319.445 2.551 0 40 DFAB O=C(CSc1ccccc1F)NC(=O)NCc1ccco1 3473446 KHDHHNXOEBMYIS-UHFFFAOYSA-N 308.334 2.537 0 40 DFAB O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cccnc2)cc1 12982827 MSJOEOOKWYQFEP-UHFFFAOYSA-N 323.274 2.626 0 40 DFAB COC(C)(C)C[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1F 96001981 WODRSWZWPOFZMK-JTQLQIEISA-N 321.389 2.588 0 40 DFAB Cc1ccc(-n2c(C)nn(CCOc3ccccc3)c2=O)cc1 4089136 OZVPEFHNUTZTKH-UHFFFAOYSA-N 309.369 2.730 0 40 DFAB Nc1nc(SCC(=O)c2cc(Cl)ccc2Cl)n[nH]1 6414175 PQJWTCSLLYNYDV-UHFFFAOYSA-N 303.174 2.669 0 40 DFAB CCCc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 6533200 MZVDJWPWJVPCGQ-UHFFFAOYSA-N 302.403 2.569 0 40 DFAB CCc1cc(NC(=O)N(C)Cc2cc(Cl)cn2C)n(C)n1 95411769 TUYVJUJLMDWUKS-UHFFFAOYSA-N 309.801 2.638 0 40 DFAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)s1 7062247 BXYLQRJZRUZOEX-SECBINFHSA-N 316.835 2.969 0 40 DFAB CN(C[C@H]1CCOC1)C(=O)c1c(O)cc(Cl)cc1Cl 80035965 YNAMVPYMMVIUBQ-MRVPVSSYSA-N 304.173 2.808 0 40 DFAB CCCOC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 15938545 WSMLUFBVHVVRLX-GJZGRUSLSA-N 313.353 2.709 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 71796763 XTLRPFNWJSPCIV-OAHLLOKOSA-N 314.389 2.580 0 40 DFAB CC(C)(C)OC(=O)NCCCC(=O)NCCc1ccc(F)cc1 8077615 STWBSBCWYGXPIB-UHFFFAOYSA-N 324.396 2.789 0 40 DFAB Cc1ccccc1OCCC(=O)NCc1ccc2c(c1)OCO2 8181139 SYAITHMFCMFMQD-UHFFFAOYSA-N 313.353 2.809 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c(OC)co1 16850842 PUUMABRFZMQRNY-UHFFFAOYSA-N 309.705 2.563 0 40 DFAB CCc1nnsc1C(=O)N[C@@H]1CCCOc2ccccc21 69533661 XEIDOUKZJAXPTH-GFCCVEGCSA-N 303.387 2.744 0 40 DFAB CCc1nnsc1C(=O)N[C@H]1CCCOc2ccccc21 69533664 XEIDOUKZJAXPTH-LBPRGKRZSA-N 303.387 2.744 0 40 DFAB CC1(C)COCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 71830836 IMCNGCPBRBHMJX-UHFFFAOYSA-N 319.792 2.777 0 40 DFAB CCCN1CCC(NC(=O)NCCc2cccc(F)c2)CC1 71885922 FLADEYLTWYNEGW-UHFFFAOYSA-N 307.413 2.542 0 40 DFAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@H]1Cn1cccn1 69771173 AJFCGYRWZGJEFF-INIZCTEOSA-N 322.368 2.843 0 40 DFAB CCc1n[nH]c(SC[C@H]2CC(c3c(F)cccc3F)=NO2)n1 71916383 JGLDNQRHEOXTJJ-MRVPVSSYSA-N 324.356 2.931 0 40 DFAB O=C(/C=C/c1nc2ccccc2s1)NC1CCC(O)CC1 8939046 GKKDPRXDEOPAFP-MDZDMXLPSA-N 302.399 2.729 0 40 DFAB Cc1cccc(NC(=S)N[C@@H](CO)Cc2ccc(O)cc2)c1 89672842 OLBRQKUGSYAWPT-OAHLLOKOSA-N 316.426 2.591 0 40 DFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)C(C)(C)C)C1=O 8944768 ZWLFPPGGCVPWOR-SFHVURJKSA-N 316.401 2.849 0 40 DFAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@@H]1Cc2ccccc21 97049233 QMJVGMRNROHARR-YQQAZPJKSA-N 302.418 2.519 0 40 DFAB CN(C)c1nc(CN[C@H](c2ccccc2)c2ncc[nH]2)cs1 97103776 ZZFOJACNICRCMR-CQSZACIVSA-N 313.430 2.811 0 40 DFAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc2ccccn2c1 97115117 XMQDPAFUZNKFOC-UHFFFAOYSA-N 321.384 2.673 0 40 DFAB Cc1nc(-c2cccnc2)nc(NCCc2cncn2C)c1C 97373514 DMNIZYYEJXNKNN-UHFFFAOYSA-N 308.389 2.544 0 40 DFAB C[C@@H](Nc1cnn(Cc2ccccc2)c1)C(=O)NC(C)(C)C 97377362 ZICOOXFOIDVMLL-CYBMUJFWSA-N 300.406 2.647 0 40 DFAB CC(C)[C@@](C)(NC(=O)c1csc(-c2ccoc2)n1)C(=O)O 95989677 GXQQNWINVWBKEO-CQSZACIVSA-N 308.359 2.632 0 40 DFAB Cc1ncccc1C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 95944411 JAXBTTNTGKHBLR-ZDUSSCGKSA-N 304.390 2.584 0 40 DFAB C[C@@H](C1CC1)N(C(=O)Cn1ccnc1-c1ccccn1)C1CC1 89894178 JTYVZFNGMRRORO-ZDUSSCGKSA-N 310.401 2.735 0 40 DFAB CCc1nncn1CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 76084540 QITIHMFFZMYUNA-NSHDSACASA-N 321.812 2.554 0 40 DFAB C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@@H](C)O1 22002131 ZUPJCMOXQXWJDG-NXEZZACHSA-N 300.761 2.527 0 40 DFAB CCN(CC)C[C@H]1CO[C@@H]2CN(Cc3sccc3C)C[C@H]12 306135039 OFNQDRYHUCBMQQ-ARFHVFGLSA-N 308.491 2.845 0 40 DFAB CC(C)(C)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2O)cc1 516970390 MANSJZFMMIXTFD-NJAFHUGGSA-N 321.461 2.617 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1 74915947 KKKOMFALOGVZAQ-UHFFFAOYSA-N 305.355 2.549 0 40 DFAB Cc1noc(CCCNC(=O)/C=C/c2cn(C)c3ccccc23)n1 79956402 PXZIOPLJCZFLQG-MDZDMXLPSA-N 324.384 2.632 0 40 DFAB CCOC(=O)[C@H](C)Nc1cccc(CN2CCCCC2=O)c1 79354952 AWHJVULYBKGWBM-ZDUSSCGKSA-N 304.390 2.563 0 40 DFAB O=C(Cc1cccc(F)c1F)N1CCc2ccccc2[C@H]1CO 185698451 QBYPAFCTUBMLJQ-MRXNPFEDSA-N 317.335 2.626 0 40 DFAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C)cs1 72385921 LVCKQKBIUOYUEO-CYBMUJFWSA-N 304.419 2.779 0 40 DFAB CCOCc1ccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 75358347 HCHCTNZIUCHONK-QGZVFWFLSA-N 318.417 2.809 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NCC2CCCC2)[C@@H]1c1cccs1 72238110 PQPYFPMAOSLMIT-CZUORRHYSA-N 320.458 2.964 0 40 DFAB COC(=O)Cc1csc(NC(=O)OCc2ccccc2)n1 36815759 UKRDTJGASAPTHW-UHFFFAOYSA-N 306.343 2.607 0 40 DFAB Cc1nccn1-c1cccc(C2CCN(c3cnccn3)CC2)n1 72355689 VQKHEEFJNRKCIK-UHFFFAOYSA-N 320.400 2.750 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2ccnc2)C12CCCCC2 81736951 LCNTZUGZBUVLAM-RBSFLKMASA-N 305.422 2.688 0 40 DFAB C[C@H]1CCCCN1c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 222532151 KZEWPTKVJVXDSG-STQMWFEESA-N 302.374 2.503 0 40 DFAB CC(C)CN(CC(C)C)C(=O)Cn1c(C=O)nc2ccccc21 41058271 VPIPHIPJIBRRST-UHFFFAOYSA-N 315.417 2.989 0 40 DFAB Cc1ccc(C(=O)N2CCCC2)c(I)c1 225008410 PQMMKUNSCNSHQF-UHFFFAOYSA-N 315.154 2.836 0 40 DFAB COc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(OC)n2)cc1 84090224 WERLBUYFQWHEPL-CYBMUJFWSA-N 314.385 2.802 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)n1 331796679 LCNWPQSNYPNBGK-UKRRQHHQSA-N 316.401 2.843 0 40 DFAB COc1cc2nc(C)sc2cc1NC(=O)c1cnn(C)c1 69737211 AWOBQBXGNITUGY-UHFFFAOYSA-N 302.359 2.599 0 40 DFAB CC(C)N1CCN(CCCN2Cc3ccccc3C[C@@H]2C)CC1 192746476 MPQBBHLRDZVZOG-SFHVURJKSA-N 315.505 2.849 0 40 DFAB CCN1CCO[C@@H](COc2ccc(Br)cc2)C1 92056774 PPIJHFPPSXGPAW-CYBMUJFWSA-N 300.196 2.549 0 40 DFAB Cc1nc(CN2CCC3(CC2)COCCN3CC2CC2)cs1 96226209 JIBPWFFAXBNKLR-UHFFFAOYSA-N 321.490 2.528 0 40 DFAB C[C@@H]1OCCN(C(=O)c2ncoc2-c2ccc(F)cc2)[C@@H]1C 97095897 KJHIIFBEZUGEPF-MNOVXSKESA-N 304.321 2.730 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4ccco4)C[C@H]3C2)c1 96053848 GEQMYQMFNMOKHV-HZPDHXFCSA-N 300.377 2.983 0 40 DFAB Cc1nc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)cs1 96053587 YAZSDALBMPJQJO-XJKSGUPXSA-N 313.426 2.546 0 40 DFAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1ccco1)C2 96060234 PDYBYYWLRJHOHV-AWEZNQCLSA-N 301.390 2.539 0 40 DFAB COc1ccc(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1F 97378819 ZKNZSKXHLIOAQS-CJNGLKHVSA-N 322.380 2.591 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)Cc2cccs2)cc1 96103032 SVHHRTKWUAWSOH-CQSZACIVSA-N 307.440 2.862 0 40 DFAB C[C@H]1C[C@H](NC(=O)NC[C@@](C)(O)C2CCCCC2)C[C@@H](C)O1 249855191 FWOGYERNZHTXKI-IARIHHJXSA-N 312.454 2.573 0 40 DFAB C[C@@H]1C[C@H](Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)O1 245339280 RRNALEAXKDHPIT-BLTAXRJOSA-N 322.380 2.555 0 40 DFAB Cc1ccccc1-c1nc2sc(=Cc3ccccc3)c(=O)n2n1 254491325 HOIPZPDBUPKMED-UHFFFAOYSA-N 319.389 2.674 0 40 DFAB FC(F)COc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 252486583 LWZRFOSBIHKTHV-APHBMKBZSA-N 324.371 2.773 0 40 DFAB O=C(CC1CC1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257254065 KBKQDVRYYYTUDG-JFIYKMOQSA-N 303.402 2.654 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257218637 DDXOMDRFXQGICS-QGZVFWFLSA-N 309.413 2.765 0 40 DFAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccsc2)cc1 257314401 UWTYCGKXEDWTLM-HNNXBMFYSA-N 302.399 2.543 0 40 DFAB Cc1c[nH]c([C@H]2CN(Cc3cccc4cccnc34)CCO2)n1 257213202 CGOLIWBQSJSDCW-MRXNPFEDSA-N 308.385 2.840 0 40 DFAB CO[C@]1(COc2ccc(C)cc2)CCN(Cc2c[nH]nc2C)C1 585273087 AKWXLVMXMLNYAT-GOSISDBHSA-N 315.417 2.696 0 40 DFAB CCC[C@@H](NC(N)=O)C(=O)N(C)Cc1csc2ccccc12 68177470 XHZWMGALOGEZHV-CYBMUJFWSA-N 319.430 2.697 0 40 DFAB O=C(CCc1ccsc1)N[C@@H]1CCN(c2ccccc2)C1=O 68208111 BKBSVVKGNKPCHU-OAHLLOKOSA-N 314.410 2.602 0 40 DFAB CC(C)(C)c1nnnn1C[C@H](O)c1ccc(C(F)(F)F)cc1 49998803 XYDTYXPDOQVJRO-NSHDSACASA-N 314.311 2.723 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C12CCCCC2 98018826 IDJNNBIKBYLYRV-GJZGRUSLSA-N 306.406 2.770 0 40 DFAB C[C@H](C[S@](C)=O)N(C)Cc1cccc(Br)c1 95940830 DCHKYDOCUVJIAV-QLJPJBMISA-N 304.253 2.648 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N3CC(n4nccn4)C3)cc2)cc1 888106988 HXQJZIIUDXYYAT-UHFFFAOYSA-N 318.380 2.951 0 40 DFAB Cc1cc(O)n(C(=O)COc2ccc(Cl)cc2Cl)n1 5541300 YMRBTCRUHDFFIA-UHFFFAOYSA-N 301.129 2.923 0 40 DFAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCC3)cc12 12186482 JDKZRHLDDTVIJL-UHFFFAOYSA-N 308.385 2.664 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(OC)cc2)C(=O)O)[nH]1 7342435 NUKURUBKOIIITH-FLIBITNWSA-N 305.359 2.594 0 40 DFAB CC(C)C[C@H](C)OC(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C 583651957 VYIUXHFAXLOUBE-SOUVJXGZSA-N 312.454 2.647 0 40 DFAB CSc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cc1 1888869793 SYFNNAXQFMKHAU-HUUCEWRRSA-N 316.470 2.965 0 40 DFAB CN1CC[C@H](CN(C)C[C@@H]2CCCN(Cc3ccccc3)C2)C1 12188688 ZJCBWPZEZZIFBU-PMACEKPBSA-N 315.505 2.782 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1ccsc1 240067992 SGPDJGRRIUKMTM-ZDUSSCGKSA-N 322.455 2.861 0 40 DFAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc(F)cc1 4520547 DITRHERLQQIVDS-SMDDNHRTSA-N 307.369 2.785 0 40 DFAB C[C@H]1CCCN(S(=O)(=O)CCCOc2ccc(F)cc2)C1 12440748 UTRYUVUSMFIUHE-ZDUSSCGKSA-N 315.410 2.656 0 40 DFAB O=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccnc1 217483382 BABAUOKDTDMKSH-UHFFFAOYSA-N 322.455 2.933 0 40 DFAB COC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2)cs1 12440366 BRRMVMRFGJADNI-UHFFFAOYSA-N 305.359 2.811 0 40 DFAB CN1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2 102705836 FOWLRYFAPGCMBO-HOTGVXAUSA-N 304.409 2.798 0 40 DFAB O=C1O[C@@H](CC(=O)N2CCc3ccccc3C2)c2ccccc21 40457513 NHEPLFJXELUDER-KRWDZBQOSA-N 307.349 2.873 0 40 DFAB COc1ccc(NC(=O)N2CCC(c3nc(C)no3)CC2)cc1 40556021 LYRUMZBPFBUZGQ-UHFFFAOYSA-N 316.361 2.798 0 40 DFAB CCCCSCC(=O)Nc1cccc(-c2nncn2C)c1 32028492 UNPZRXOPPCHHTD-UHFFFAOYSA-N 304.419 2.954 0 40 DFAB Cc1ccccc1CC(=O)Nc1cccc(-c2nncn2C)c1 32028685 DIUVKOWSMMQENZ-UHFFFAOYSA-N 306.369 2.972 0 40 DFAB CC1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 32958805 QABIHAQZDFKXHN-MRXNPFEDSA-N 320.408 2.839 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CCNc1ncccn1 53396043 BJTUCPBHYKZDHF-GFCCVEGCSA-N 318.808 2.679 0 40 DFAB Cc1nccn1C[C@H](O)COc1ccc(Cl)cc1Cl 74244 NUHXGNDYRXJOPH-NSHDSACASA-N 301.173 2.938 0 40 DFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1 147862 KOYOFHUJVPVIPH-UHFFFAOYSA-N 320.370 2.830 0 40 DFAB CCC[C@@H](CC(=O)OC)NC(=O)c1ccc(F)cc1Cl 92990219 PPLJOKKFDVVWQJ-JTQLQIEISA-N 301.745 2.941 0 40 DFAB CO[C@@H](C(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 77703220 UXFVZGZDXKYUGH-GOSISDBHSA-N 321.380 2.876 0 40 DFAB CC[C@@H](C(=O)Nc1ccn(Cc2ccccc2)n1)N(CC)CC 78822431 SWHTTZGCKOCHRU-INIZCTEOSA-N 314.433 2.990 0 40 DFAB CCCc1n[nH]c([C@H]2CN(C(=O)CC3=CCCCC3)CCO2)n1 78889942 LBELSTUVHMECKE-CQSZACIVSA-N 318.421 2.548 0 40 DFAB CCOC(=O)c1cc2sccc2n1CC(=O)N(CC)CC 1338051 SUBCTABEESHJLV-UHFFFAOYSA-N 308.403 2.748 0 40 DFAB CCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)c1 79066109 WWGJFNKUHKIBJN-KGLIPLIRSA-N 306.362 2.549 0 40 DFAB COc1ccc2c(c1)c(C(=O)NCCc1ccncc1)cn2C 79473653 AFWKWUCXMRDKDF-UHFFFAOYSA-N 309.369 2.554 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1 3442841 OJMZURFAQFJSIW-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB Cc1ccc([C@@H](NC(=O)CCn2cncn2)c2ccccc2)cc1 54515819 VACUVHUOUXEMFN-IBGZPJMESA-N 320.396 2.882 0 40 DFAB COc1ccc(CCC(=O)NCCCn2nc(C)cc2C)cc1 24028039 RJVHAXBRHCRBMU-UHFFFAOYSA-N 315.417 2.648 0 40 DFAB c1ccc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)cc1 54981438 VSRAOLCDOPRJIK-UHFFFAOYSA-N 309.373 2.648 0 40 DFAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cnccn1 24391448 BEELTJNFXASMNN-UHFFFAOYSA-N 310.401 2.739 0 40 DFAB CSc1nnc(C)n1NC(=O)c1ccc(C(C)(C)C)cc1 6861486 ZVEWQFKGHXDKJV-UHFFFAOYSA-N 304.419 2.990 0 40 DFAB Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)nc2c1CCC2 1398563 DTVNXRSWDRAMAO-UHFFFAOYSA-N 308.790 2.760 0 40 DFAB C[C@@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCCCC1 57220950 PYJAQLBFDLCSSG-GFCCVEGCSA-N 320.458 2.758 0 40 DFAB COC(=O)[C@H](N)Cc1c[nH]c2cccc(OCc3ccccc3)c12 44327735 OUISLLGQNIASNL-OAHLLOKOSA-N 324.380 2.790 0 40 DFAB Cc1nc(/C=C/C(=O)NCCc2ccc(C(=O)O)cc2)cs1 72235955 ZFRRFROOZZPNRH-VOTSOKGWSA-N 316.382 2.522 0 40 DFAB CCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)c(C)c1 48142803 NGOBMSNNMATEDL-UHFFFAOYSA-N 302.378 2.791 0 40 DFAB O=c1ccnc2sc(NC[C@H]3CCCc4ccccc43)nn12 48235362 DIUBHOMQMGMIMQ-GFCCVEGCSA-N 312.398 2.683 0 40 DFAB CCc1ccc(-n2nnc(C(=O)Nc3cc(C)on3)c2C)cc1 9763967 IBANEVYKOIUQQA-UHFFFAOYSA-N 311.345 2.687 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CSc3ccccc31)C2 72287783 RVUQJNGQMPYWDU-GXTWGEPZSA-N 313.426 2.512 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1cn(Cc2ccccc2)nn1 44896364 CXPXUOFCOUEYSV-QGZVFWFLSA-N 318.380 2.744 0 40 DFAB CC[C@H](C)Sc1ccc(NC(=O)Cn2cnnn2)c(C)c1 58227888 XOWWOGSJEGKULI-NSHDSACASA-N 305.407 2.511 0 40 DFAB c1cncc(-c2n[nH]cc2CNC[C@@H]2COc3ccccc3C2)c1 97159132 IFMPXMOUKYSTLB-CQSZACIVSA-N 320.396 2.813 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccoc1 97163684 UWGWBEOOULTNEL-UONOGXRCSA-N 322.405 2.774 0 40 DFAB Cc1ccc(Nc2ccc(S(=O)(=O)NC3CC3)cn2)cc1 12739657 QSZFAGMDPVLPLY-UHFFFAOYSA-N 303.387 2.574 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(Cl)sc1Cl 97197603 OYPDCCNHBRJSAX-SSDOTTSWSA-N 316.213 2.996 0 40 DFAB CCOc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 58343830 GPMZYFMLLXNMLM-UHFFFAOYSA-N 322.368 2.977 0 40 DFAB COc1ccc([C@@H]2OC3=Nc4ccccc4N[C@H]3C2=O)cc1OC 104239938 HDGIXWOCASFWDK-RDJZCZTQSA-N 324.336 2.869 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncccn2)cc1 10860938 MNPFBZIAXLABEB-JTQLQIEISA-N 301.371 2.799 0 40 DFAB O=c1n(Cc2cccc3ccccc23)nnn1-c1cccs1 10812739 OKWNBSCTFQPASZ-UHFFFAOYSA-N 308.366 2.692 0 40 DFAB CCc1cc(C(N)=O)c(NC(=O)c2c(F)cccc2F)s1 27920840 ZDHBACGZDLVZMF-UHFFFAOYSA-N 310.325 2.940 0 40 DFAB CCCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc21 2450683 VXZSVCVONPVXCY-UHFFFAOYSA-N 312.373 2.888 0 40 DFAB COc1ccc(CNC(=O)c2cccnc2SC)cc1OC 3325817 DVBLSIJRIRXGKN-UHFFFAOYSA-N 318.398 2.751 0 40 DFAB COc1ccc(-n2cccc2/C=C2/SC(=O)NC2=O)cc1 106336596 OVSHXEQRJFWYSF-UKTHLTGXSA-N 300.339 2.810 0 40 DFAB O=C(COCCOc1ccccc1)N[C@H]1CCc2ccccc21 48308594 SAMPFGZDKIWOGG-SFHVURJKSA-N 311.381 2.886 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1ncc(C)s1)c1ccc(C)cc1 11987259 UYZCVXXOJDHRLH-CQSZACIVSA-N 317.414 2.966 0 40 DFAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1 12894894 COQFRKZWVBISKN-UHFFFAOYSA-N 303.387 2.621 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1csc(C)n1)CC2 62634114 UMOJXIDNUILULN-UHFFFAOYSA-N 318.398 2.667 0 40 DFAB COc1ccc(C)cc1NC(=O)c1nn(C)c(=O)c2ccccc12 3567183 JMKKNJGNBMWNJM-UHFFFAOYSA-N 323.352 2.503 0 40 DFAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12910434 UMYFQQUAFXSTFS-OAHLLOKOSA-N 323.352 2.710 0 40 DFAB COC(=O)c1ccccc1N(C)C(=O)c1cnn(CC(C)C)c1 97237726 PARYLVBDLNFGTI-UHFFFAOYSA-N 315.373 2.602 0 40 DFAB CCc1nnc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)s1 13684779 FRSIKCRAYUQBTA-UHFFFAOYSA-N 314.370 2.503 0 40 DFAB Cc1nc(C(=O)NC[C@H]2CCCO2)cc2c1[nH]c1ccccc12 6075842 FZQJPGUTWILDRZ-GFCCVEGCSA-N 309.369 2.933 0 40 DFAB biogenic Cc1ccc2oc(C(=O)N(CC(N)=O)C3CCCC3)cc2c1 65476771 CVODTGJPGVMXTG-UHFFFAOYSA-N 300.358 2.611 0 40 DFAB Cc1ccc(C)n1C1CCN(c2ncnc3c2cnn3C)CC1 65428723 YDLSRSBAXPJFKV-UHFFFAOYSA-N 310.405 2.623 0 40 DFAB COc1cc(C(=O)N(C)C)ccc1OCc1c(C)noc1C 14197079 XVTSIMHNTNMUOT-UHFFFAOYSA-N 304.346 2.581 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccs2)C1=O 4694877 FABVMMJWMITUTL-VKHJRQFRSA-N 311.384 2.736 0 40 DFAB Cc1cccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2)c1 409056554 MTQMIGSGSRWMLY-MHWRWJLKSA-N 308.337 2.754 0 40 DFAB CCOC(=O)NC(=O)COC(=O)[C@H](c1ccccc1)[C@H](C)CC 5681650 CMOUWNKGRJUVQD-DOMZBBRYSA-N 321.373 2.632 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C)no1 7093892 GUEDJSOUVKIFQO-JTQLQIEISA-N 316.386 2.989 0 40 DFAB CN(CC(=O)NC1CC1)Cc1csc(-c2ccccc2)n1 7791460 MLEGJDTYOPHOKB-UHFFFAOYSA-N 301.415 2.521 0 40 DFAB C[C@H]1CN(Cn2ncnc2-c2ccccc2Cl)C[C@H](C)O1 71817104 QIGFCLXBCOWYJH-RYUDHWBXSA-N 306.797 2.665 0 40 DFAB O=C(NCc1nccn1CCCc1ccccc1)N1CCCC1 81522045 QRGCSRRDAFEDTC-UHFFFAOYSA-N 312.417 2.821 0 40 DFAB O=C(Cn1nnc2ccccc21)Nc1cccc2ncccc12 8131149 QUSFCQXYSKBHJS-UHFFFAOYSA-N 303.325 2.618 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 8234544 JATMNEVPEQDUNC-SNVBAGLBSA-N 308.328 2.694 0 40 DFAB COc1ccc(OC)c(NC(=O)NC[C@H](O)c2ccccc2)c1 69420000 FLXLWJYGKYTHSP-HNNXBMFYSA-N 316.357 2.559 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 95438414 YJGQKKZQCMCDNE-SKDRFNHKSA-N 317.414 2.788 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(C)c1 84101472 QSYMSXVIHUQOAV-UHFFFAOYSA-N 311.334 2.649 0 40 DFAB CCc1nc2cc(NC(=O)N3CCC[C@H](CO)C3)ccc2o1 72287666 KCYZJGOYPQWHEB-NSHDSACASA-N 303.362 2.626 0 40 DFAB CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C 26465749 QWKOHPMKTTYHHB-UHFFFAOYSA-N 309.391 2.620 0 40 DFAB CCN1CCC[C@@H]1CNCc1cc2cc(C)c(C)cc2[nH]c1=O 23247893 ZQSJBLIXHYUUEX-QGZVFWFLSA-N 313.445 2.719 0 40 DFAB O=C(NCc1noc([C@@H]2CC2(Cl)Cl)n1)c1ccccc1 95959371 ZPFRHPYGGIKNDI-VIFPVBQESA-N 312.156 2.661 0 40 DFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)NC1CCCC1 78663221 MOHMGTVYWZTCEX-ZDUSSCGKSA-N 316.323 2.981 0 40 DFAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCO[C@H](c2ccccc2)C1 30646724 HCYZRHRNAFLVTE-KRWDZBQOSA-N 323.352 2.883 0 40 DFAB CCn1c(CN2CC[C@@H](Nc3ncccn3)C2)nc2ccccc21 563712289 FKNNQLBZJCANHK-CQSZACIVSA-N 322.416 2.533 0 40 DFAB Cc1noc([C@H]2CCCN([C@H](C(=O)O)c3ccccc3C)C2)n1 565104052 MICRYFFMMYHJDN-ZFWWWQNUSA-N 315.373 2.692 0 40 DFAB CCS[C@H]1CC[C@]1(O)CNCc1ccccc1-n1cccn1 84673676 AQUUFLWULKESEL-IRXDYDNUSA-N 317.458 2.609 0 40 DFAB Cc1cc(N2CCCCCC2)nc(NC(=S)NC(C)C)n1 225889824 POULTTVXNHLWBI-UHFFFAOYSA-N 307.467 2.860 0 40 DFAB CCCCNC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40529529 HECIERQIKATMNE-UHFFFAOYSA-N 322.405 2.941 0 40 DFAB Cn1c(=O)sc2cc(NC(=O)COc3ccccc3)ccc21 225019234 BNHPJUUCJJDWER-UHFFFAOYSA-N 314.366 2.618 0 40 DFAB COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCCC(C)C)cc1 222974960 VIVGKIPJAZMLJF-AWEZNQCLSA-N 320.433 2.595 0 40 DFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccccc2)cc1 222951414 XBEQGYZPEJBKCY-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225212787 PMPQWSIPQOSQKO-INIZCTEOSA-N 324.424 2.701 0 40 DFAB CCN(CC)c1nc(Br)c(C(=O)OC)nc1Cl 225748791 DGFXWDPVTLRXLK-UHFFFAOYSA-N 322.590 2.525 0 40 DFAB c1cc(CO[C@@H]2CO[C@@]3(CCCN(C4CCC4)C3)C2)ccn1 96205914 OYMWNBPGCGBAOV-ROUUACIJSA-N 302.418 2.774 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 96053859 KJYZSHXHWVKISW-GJZGRUSLSA-N 317.433 2.846 0 40 DFAB CCOC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 96494312 ACWAEPRTRCCPJS-CVEARBPZSA-N 320.437 2.577 0 40 DFAB CCN1CCC[C@H](CNCc2c[nH]nc2-c2cccs2)C1 97160168 VEVXPYYBQYABPY-CYBMUJFWSA-N 304.463 2.960 0 40 DFAB Cc1cccc(NC[C@H]2CCN(Cc3c(C)noc3C)C2)n1 97200844 BUKLTPQHNBCAAP-OAHLLOKOSA-N 300.406 2.929 0 40 DFAB CC(C)CCC(=O)NCC(=O)NCCc1cc2ccccc2o1 96417083 FMGCVYWHNXXZBH-UHFFFAOYSA-N 316.401 2.644 0 40 DFAB COc1cccc([C@H]2C[C@H]2C(=O)NC2CCN(C3CC3)CC2)c1 96404627 XBSMXVITSIUNLO-QZTJIDSGSA-N 314.429 2.542 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccco3)C2)C1 96241255 BJGXWBCQAOCKAN-VKZRIFJHSA-N 320.408 2.698 0 40 DFAB CCOC[C@H]1CCN(CC23CC(CN2C(=O)OC(C)(C)C)C3)C1 583651783 SNRWPLLOYQLVCT-SYJJWHGVSA-N 324.465 2.744 0 40 DFAB Cc1ccc2cc(C(=O)N3CCC[C@H](C(=O)O)C3)c(C)nc2c1 96413664 RYKRYGFWUQZMMO-AWEZNQCLSA-N 312.369 2.788 0 40 DFAB CN(Cc1cnccn1)S(=O)(=O)c1ccccc1C(C)(C)C 96428077 JZEBEJZLIKWJND-UHFFFAOYSA-N 319.430 2.595 0 40 DFAB c1coc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)c1 247973964 VOGPEHAPKHNTJF-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB CC[C@H]1CCCCN1c1nn(-c2ccc(F)cc2)nc1C(=O)O 256048045 QIWJRDVDBDMWET-LBPRGKRZSA-N 318.352 2.874 0 40 DFAB CN(Cc1ccccc1)C(=O)c1ccccc1-n1cnc(CN)c1 257215651 CRAMPTOQRXSGRQ-UHFFFAOYSA-N 320.396 2.603 0 40 DFAB O=C(O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 263469546 HHGZUVGVIAYIOY-LLVKDONJSA-N 317.370 2.749 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cccc(C3CC3)n2)C[C@H](C)[S@@]1=O 296834131 JISPEFNDDAEGCX-KDGBHJTFSA-N 321.446 2.722 0 40 DFAB CN1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 585102343 XJWJUIVXCGAGCG-FQEVSTJZSA-N 324.424 2.915 0 40 DFAB COC[C@@H]1CCn2nccc2CN1C(=O)CC1=CCCCC1 585098132 UMVLZRWWBSPGSO-INIZCTEOSA-N 303.406 2.521 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 69454054 SRIJKHINXDHQQS-STQMWFEESA-N 305.447 2.719 0 40 DFAB CCn1ncc2c1CCC[C@H]2NCc1cnc(N(C)C)s1 72298466 DLCZZZTXWCXPQY-CYBMUJFWSA-N 305.451 2.593 0 40 DFAB Cc1noc(C2CCN([C@H](C)c3nc(C4CC4)no3)CC2)n1 53618442 ZJLTVBGSNFUBBB-SECBINFHSA-N 303.366 2.579 0 40 DFAB COCc1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 58418094 OIQRNNKSBCHHMA-UHFFFAOYSA-N 321.380 2.949 0 40 DFAB CCCn1nc(C(=O)N2CC[C@H](C)c3ccccc32)ccc1=O 40516480 QEOQSWORFTUREW-ZDUSSCGKSA-N 311.385 2.807 0 40 DFAB COc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169810 HVWCHBRHAUPHGX-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CCc1ccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439852 JRSCMRCUPKFVBS-UHFFFAOYSA-N 313.353 2.894 0 40 DFAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](C)C4)cc1 17031697 JQFZGLIBPRAYLM-SNVBAGLBSA-N 308.341 2.565 0 40 DFAB COCCN1CCC(CNC(=O)c2c(C)cc(C)cc2C)CC1 23127939 MRIZDNYVSKTTID-UHFFFAOYSA-N 318.461 2.700 0 40 DFAB Clc1ccc2ncc(-c3cccc([C@H]4CCCNC4)n3)n2n1 585262791 GIKWPCPEWAGZIV-NSHDSACASA-N 313.792 2.912 0 40 DFAB COc1ccc(OCC(=O)c2ccc(OC)cc2OC)cc1 2726007 APNFJYBIJAVHSG-UHFFFAOYSA-N 302.326 2.974 0 40 DFAB Cc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1C 6533292 PYLXXPPKDFDUBW-JTQLQIEISA-N 302.403 2.621 0 40 DFAB O=S(=O)(c1cccnc1)N1CCS[C@H](c2ccco2)CC1 219441305 WKAFCXNTAIIHJN-AWEZNQCLSA-N 324.427 2.544 0 40 DFAB Fc1ccc2c(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)ncnc2c1 2298063129 IGEZERVKJSBEOP-CHWSQXEVSA-N 312.392 2.689 0 40 DFAB CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 40023644 QIROOVNSWTYTMO-UHFFFAOYSA-N 319.386 2.547 0 40 DFAB COC(=O)c1cc(NC(=O)Cc2ccsc2)c(F)cc1F 30820482 PUFRREPEFDCBSO-UHFFFAOYSA-N 311.309 2.994 0 40 DFAB O=C(Nc1cccc(CN2CCCC2=O)c1)NC1CCCC1 31046493 FRIPKEHJYLCORQ-UHFFFAOYSA-N 301.390 2.873 0 40 DFAB CCOC(=O)N1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 157879 HUYYRFDDJUMTPE-UHFFFAOYSA-N 304.390 2.654 0 40 DFAB CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 358936 FVGNKQKXLIEAEC-UHFFFAOYSA-N 310.419 2.646 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 41532455 FVUCOIIEOLISIH-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB CC(=O)N1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1 33582862 FJLMWKOECBQXQY-UHFFFAOYSA-N 303.406 2.814 0 40 DFAB CC1CCN(C[C@H](C)OC(=O)c2ccc3c(c2)OCCO3)CC1 808190 NNQDMHCMCLVAKP-AWEZNQCLSA-N 319.401 2.735 0 40 DFAB aggregator O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCCO1 23074589 MBRZSOPCBQEWRV-AWEZNQCLSA-N 300.358 2.569 0 40 DFAB Cc1nc(C)c(CCC(=O)NCC2CCCCCCC2)c(=O)[nH]1 79179631 PELAOQPZSVHCEH-UHFFFAOYSA-N 319.449 2.796 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)o1 3439847 CMXMOLJVHYXMAL-OAHLLOKOSA-N 313.353 2.939 0 40 DFAB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 4818458 IPDBSUZSHWFZDN-FUTJPDQTSA-N 324.163 2.826 0 40 DFAB CCN(CC)C(=O)CSc1nnc(C)n1-c1ccc(F)cc1 6629800 XOLOHFDBOUYCFB-UHFFFAOYSA-N 322.409 2.675 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)NCCC1CCCC1 7066310 KVXHIVIQBMKBFM-UHFFFAOYSA-N 304.390 2.720 0 40 DFAB CCOc1c(Cl)cc(CNCCCN(C)C)cc1OC 8253381 IZWRNAHBRYJAGJ-UHFFFAOYSA-N 300.830 2.789 0 40 DFAB Cc1noc(C2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 106756003 XMMUMLPSJFRDOY-FPMFFAJLSA-N 320.462 2.621 0 40 DFAB COc1ccc(S(=O)(=O)Nc2c(C)nn(C(C)C)c2C)cc1 55649152 VUTSDURZITYZEV-UHFFFAOYSA-N 323.418 2.890 0 40 DFAB O=C(c1c(F)cccc1F)N1CCN(Cc2ccccc2)CC1 25326129 FAEMDZAMJCLXSR-UHFFFAOYSA-N 316.351 2.923 0 40 DFAB O=C(CNc1ccccc1N1CCCCC1)NCC(F)(F)F 57866463 RMVQRQJHQTUKDO-UHFFFAOYSA-N 315.339 2.767 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)Cc1ccsc1)c1ccccc1 27415446 SVIOAQKRDHZCKK-INIZCTEOSA-N 311.410 2.930 0 40 DFAB c1csc(N2CCCN(c3ncnc4sccc34)CC2)n1 58158588 QUIZDUXPAJESEZ-UHFFFAOYSA-N 317.443 2.865 0 40 DFAB Cc1cccc(C2(C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CC2)c1 58197102 UBVUOZWNDHTQOG-UHFFFAOYSA-N 319.364 2.902 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1CSc2ccccc2O1 58293256 PJXDPDKLXBBVBW-HNNXBMFYSA-N 315.394 2.904 0 40 DFAB O=C(Nc1cccc2cccnc12)c1cnc2sccn2c1=O 28223149 ZFLWZINMZQCDBE-UHFFFAOYSA-N 322.349 2.557 0 40 DFAB CC[C@H](C)[C@H](NC(=O)CSc1ccccc1F)C(=O)OC 3333746 CHIOIUGNMZSYLD-HZMBPMFUSA-N 313.394 2.622 0 40 DFAB CC[C@@](C)(NC(=O)CCOc1ccccc1Cl)C(=O)OC 58169323 URDUFMXISKJLAC-OAHLLOKOSA-N 313.781 2.567 0 40 DFAB O=C(CSc1ncccn1)Nc1ccccc1Br 3337550 MAHONCRFWPFOQO-UHFFFAOYSA-N 324.203 2.970 0 40 DFAB CCc1cc2c(=O)n(C[C@@H](O)c3ccccc3F)cnc2s1 28914976 GXWXNVVPWGIXFZ-CQSZACIVSA-N 318.373 2.893 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CCO1 11497495 OHXQTHPNRXWPBB-CQSZACIVSA-N 321.380 2.886 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCN2CCCC[C@@H]2C1 45745821 ZLGXWOGKVUMPSG-MRXNPFEDSA-N 311.429 2.797 0 40 DFAB COc1ccccc1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100261236 MLZNYUVTRHOJPH-IAGOWNOFSA-N 304.342 2.723 0 40 DFAB Cn1c(Cl)cnc1CN1CCO[C@H](c2ccc(F)cc2)C1 29538904 YGBMJMKOSDLFLD-ZDUSSCGKSA-N 309.772 2.786 0 40 DFAB CCS(=O)(=O)c1nc(-c2ccco2)cc(C(F)(F)F)n1 2538913 JTXVWGDXVBTBOE-UHFFFAOYSA-N 306.265 2.549 0 40 DFAB O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12 2620914 UOTBLQAJZXELKJ-MRXNPFEDSA-N 323.304 2.967 0 40 DFAB C[C@@H](C(=O)Nc1cccc(-c2ncco2)c1)N1CCSCC1 95436506 DAWYFLKJURMXIB-LBPRGKRZSA-N 317.414 2.717 0 40 DFAB COCc1cc(C[C@@H]2C[C@H](NC(=O)c3ccco3)C2(C)C)no1 67889863 ZQMIMHSBVCWGDN-ABAIWWIYSA-N 318.373 2.801 0 40 DFAB biogenic,in-vitro CN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 12978918 DAWCVKGLAYKKRN-UHFFFAOYSA-N 322.364 2.612 0 40 DFAB Nc1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)n1 9059286 ISNYNTACPLOPAI-UHFFFAOYSA-N 302.186 2.951 0 40 DFAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H](C)C3)C(=O)[C@H]2C)cc1 13098140 KSDDCELLFKCJSS-HUUCEWRRSA-N 315.417 2.842 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2c[nH]c3ccccc23)C1 13113124 MOPTYQNBLJNAAS-BETUJISGSA-N 314.385 2.829 0 40 DFAB O=C(NCc1ccncc1)c1ccc(OCC(F)(F)F)cc1 4054503 CIBHDMUNOQFAIO-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)NCc1ccon1 83197794 PYZTUPUMXAZFNV-CYBMUJFWSA-N 303.362 2.558 0 40 DFAB Cc1[nH]c2ncnc(NC(=O)c3ccncc3Cl)c2c1C 96008853 PNMLQAFEYUYEBH-UHFFFAOYSA-N 301.737 2.875 0 40 DFAB COC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 96005942 NFFRXNNSEWVIBU-ZDUSSCGKSA-N 316.760 2.648 0 40 DFAB O=C1NCCN(C(=O)c2ccsc2)[C@@H]1c1ccccc1Cl 96010174 QOVNSHRLSXLOGV-CYBMUJFWSA-N 320.801 2.715 0 40 DFAB O=C(NC1CCN(CC(F)F)CC1)C1(c2ccccc2)CC1 65478335 GHSPBKOPHWLPGY-UHFFFAOYSA-N 308.372 2.564 0 40 DFAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)c1cnn(C)c1 65565378 BQAUKGIZGQXHHG-UHFFFAOYSA-N 313.401 2.559 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)s1 14108993 BWTFSLYYSXGESI-SECBINFHSA-N 303.343 2.559 0 40 DFAB O=C(Nc1nccs1)c1c(O)c2cc(Cl)ccc2oc1=O 6557485 FZNVVFXYKYPFSL-UHFFFAOYSA-N 322.729 2.861 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14483457 CHSUPKBWYGUSOL-JTQLQIEISA-N 313.309 2.635 0 40 DFAB CSc1nnc(Cn2nc(C)nc2-c2ccccc2)s1 66081260 DLPXVKPGHVMTCC-UHFFFAOYSA-N 303.416 2.875 0 40 DFAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)s1 7062249 BXYLQRJZRUZOEX-VIFPVBQESA-N 316.835 2.969 0 40 DFAB Cc1ccc(CNc2ncnc3nc(N)ccc23)c(N(C)C)c1 90109662 LAZGCSSAUDUXHF-UHFFFAOYSA-N 308.389 2.594 0 40 DFAB FC(F)(F)c1cccc(N2CCCN(c3ncccn3)CC2)n1 96410264 YKPZOHSDNZFTMU-UHFFFAOYSA-N 323.322 2.607 0 40 DFAB Nc1nnc(SCCCc2nc(-c3ccccc3)no2)s1 8066748 POSRQNOEBUTSOT-UHFFFAOYSA-N 319.415 2.895 0 40 DFAB Cc1cnn(CCN[C@H](C)c2nc(-c3cccs3)no2)c1 70011676 VYBOJQIIEKCVDS-LLVKDONJSA-N 303.391 2.654 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 71870699 OYTJZTHLIVDCBC-CQSZACIVSA-N 323.400 2.571 0 40 DFAB COc1cccc(OC)c1OC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 71805012 DAKFGCFUSJAMKR-JSGCOSHPSA-N 319.401 2.730 0 40 DFAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2ccccc2F)CC1 71835114 QKSRWQBAOORRBQ-KGLIPLIRSA-N 314.360 2.871 0 40 DFAB CC[C@H]1CCC[C@H](NC(=O)NCc2c(C)nn(C)c2OC)C1 96503094 DZWHCAKTAHVNAI-STQMWFEESA-N 308.426 2.505 0 40 DFAB O=C(Nc1nnc(C(F)F)s1)N[C@@H]1CCC[C@H]2OCC[C@H]12 95416092 DOYQWMFYNPADJA-BWZBUEFSSA-N 318.349 2.555 0 40 DFAB COc1ccc2cccc(CC(=O)N(C)C[C@H](O)C3CC3)c2c1 95436185 PEDCJRKIOMZDAW-SFHVURJKSA-N 313.397 2.620 0 40 DFAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69919546 PAFIATGINOEJOV-MRXNPFEDSA-N 308.385 2.702 0 40 DFAB C[C@H](NC(=O)NC1CCCCCC1)C(=O)N1CCCC[C@H]1C 72083013 RYLRYSCKUAAQKZ-KGLIPLIRSA-N 309.454 2.798 0 40 DFAB CC(C)c1csc(NC(=O)c2ccc(CNC(N)=O)cc2)n1 8993840 PFMDTKXUZYVTJP-UHFFFAOYSA-N 318.402 2.687 0 40 DFAB CCO[C@H]1C[C@H](N(C)Cc2cc(=O)c(O)co2)C12CCCCC2 98013277 AKYNVEFIWXWNNV-IRXDYDNUSA-N 321.417 2.905 0 40 DFAB C/C(=C\C(=O)OC[C@H]1CCCN1C(N)=O)c1cccc(Cl)c1 98052895 UMXMVORDRJYOOT-BMGYJQCNSA-N 322.792 2.830 0 40 DFAB Cc1ccc(Sc2ncccc2C(=O)NCCO)cc1C 98072538 UVXDHDHJWSJHQY-UHFFFAOYSA-N 302.399 2.572 0 40 DFAB CC[C@@H]1CCC[C@H](CN2CCC(C(=O)N3CCOCC3)CC2)C1 97108425 VPKAXKRUCRPZQK-SJORKVTESA-N 322.493 2.774 0 40 DFAB COC(=O)C[C@H]1CCCCN1C(=O)[C@]1(C)CC1(Cl)Cl 95956316 RUVRMEPMWNIEBF-SKDRFNHKSA-N 308.205 2.515 0 40 DFAB NC(=O)c1cnc(N[C@@H]2CCO[C@@H]2c2ccccc2)c(Cl)c1 75092168 GNAUZJNCDIOHAS-ZIAGYGMSSA-N 317.776 2.776 0 40 DFAB CC(C)N(CC(F)(F)F)C(=O)c1ccc2c(c1)COCO2 89869550 RZGSUOVZRKEJIO-UHFFFAOYSA-N 303.280 2.966 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 76042309 MYNWALCERLVYQH-QRQCRPRQSA-N 315.394 2.929 0 40 DFAB Cc1nc2sc([C@@H](c3ccccc3)N3CCCC3)c(O)n2n1 38820063 DJLDFAMAZQFNBK-CYBMUJFWSA-N 314.414 2.990 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)c(F)c1 530076967 UEELFFUROVRKKB-CQSZACIVSA-N 301.321 2.607 0 40 DFAB Cc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)no2)n1 78774245 MAOOFKACOLGQIU-UHFFFAOYSA-N 312.304 2.509 0 40 DFAB Cc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCCCC3)c1 71979782 DJJZMLOPUNANBI-CQSZACIVSA-N 303.358 2.581 0 40 DFAB C[C@@H](CNC(=O)c1conc1C(C)(C)N)c1ccc(F)cc1 568235299 LJLBNRHUDDEMAZ-JTQLQIEISA-N 305.353 2.541 0 40 DFAB CC(C)N1CCN(c2ccc(C(=O)c3ccccc3)cn2)CC1 72225609 WORNRPLUSIELAL-UHFFFAOYSA-N 309.413 2.843 0 40 DFAB C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(F)cc1 32604204 XQVCNXKUMRIALZ-SNVBAGLBSA-N 309.366 2.794 0 40 DFAB Cc1cc([C@H](C)O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222612 AXESCURMAAKFLZ-ZDUSSCGKSA-N 321.421 2.500 0 40 DFAB CCCNC(=O)c1cccc(C(=O)N(CC)c2ccncc2)c1 78113714 VYAOEWBZCGGOJV-UHFFFAOYSA-N 311.385 2.888 0 40 DFAB Cn1ccs/c1=N\C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42712396 NPMYLFLFOBBJPQ-PEZBUJJGSA-N 304.419 2.657 0 40 DFAB COc1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 44880073 OVJOBIAASZZWKA-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB biogenic CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CC 223467653 HDQZJEYRRIZNAK-CQSZACIVSA-N 320.433 2.739 0 40 DFAB Cc1ccsc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O 49474533 QVEDXUYQXJGTHC-LBPRGKRZSA-N 307.346 2.621 0 40 DFAB CCn1ccc(NC(=O)C[C@@H](CC(=O)O)c2cccs2)n1 223109362 NPJGNARZAZCPBH-JTQLQIEISA-N 307.375 2.552 0 40 DFAB Cc1ccc(O[C@H](C)CNC(=O)Cc2csc(C)n2)cc1 80662283 CIJOQDXOUOAZEM-GFCCVEGCSA-N 304.415 2.886 0 40 DFAB O=C1SCCN1CCC(=O)N1CCC[C@@H]1c1ccsc1 44940728 YHDBXUMDAIBURU-GFCCVEGCSA-N 310.444 2.971 0 40 DFAB COC(=O)N1CC[C@H](NCc2cnc(-c3cccs3)s2)C1 83472661 CCJDRKUXCDKBGB-JTQLQIEISA-N 323.443 2.802 0 40 DFAB CCCOc1nn(C)c2ccc(I)cc12 225774785 LSGLZKCLAHRAKR-UHFFFAOYSA-N 316.142 2.967 0 40 DFAB Cc1cnc(C)c(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 195563909 IEJJQYNJCQXYAI-KRWDZBQOSA-N 324.428 2.597 0 40 DFAB COc1c(C)cnc(C[S@@](=O)c2nc3ccsc3[nH]2)c1C 96190693 CBCVSLUOXATBLD-NRFANRHFSA-N 321.427 2.953 0 40 DFAB CCCn1c(CN2CCCC3(C2)OCCO3)nc2ccccc21 97377041 WPAMYEMGMWPXFH-UHFFFAOYSA-N 315.417 2.785 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)N(C)Cc2cnccn2)c1 96410652 BPBAINPPYVOLFT-UHFFFAOYSA-N 313.405 2.985 0 40 DFAB O=C(Cc1ccccc1Cl)Nc1cnn([C@H]2CCOC2)c1 96123117 NAZGTGJCZACECB-ZDUSSCGKSA-N 305.765 2.679 0 40 DFAB O=S(=O)(Cc1cccc(F)c1)Nc1cc(Cl)ccn1 96462647 NZBJCCQGFSTHBI-UHFFFAOYSA-N 300.742 2.816 0 40 DFAB Cc1ccc(OC2CCN(C(=O)Nc3cccs3)CC2)nn1 96355689 SWBLGXOAQMOVDA-UHFFFAOYSA-N 318.402 2.922 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 98177444 PIXFHVWJOVNKQK-OAZQVCGISA-N 306.446 2.930 0 40 DFAB c1cc(N2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)cs1 96074880 ZXVMZMXCCVKTST-KRWDZBQOSA-N 322.474 2.598 0 40 DFAB CCNC(=O)N1CC[C@@H](NC(=O)Nc2cccc(C)c2Cl)C1 96474171 HEFWDOCYBJDMCU-LLVKDONJSA-N 324.812 2.574 0 40 DFAB Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)c1 96055138 VVSTWMQQFNBYAU-FUHWJXTLSA-N 316.376 2.756 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2c(C)noc2C)c1C 96444396 KBGRHCCPHBHNHW-UHFFFAOYSA-N 317.389 2.754 0 40 DFAB COCC(=O)N1[C@H](c2ccccc2)C[C@]2(C)NCCCCC[C@H]12 257240694 HUSIMLITDLWYOV-LNLFQRSKSA-N 316.445 2.897 0 40 DFAB CNc1cc([C@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)ccn1 257318734 VPDWZOBKGUDGEZ-BDUNBXCCSA-N 322.412 2.938 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 257207755 BJBRHEUCZAMYPM-CQSZACIVSA-N 301.365 2.806 0 40 DFAB CC(=O)Nc1ncc(-c2cccc([C@H]3CCCNC3)n2)s1 257198223 WOXPXRRCAJCDBV-NSHDSACASA-N 302.403 2.631 0 40 DFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccncc1 43167334 VCBWRWXSCRNSBK-AWEZNQCLSA-N 300.362 2.633 0 40 DFAB CCc1nocc1/C=C/c1cc(C(=O)O)c2c(C)nn(C)c2n1 577180847 JQCSHTLXBBLPSU-AATRIKPKSA-N 312.329 2.696 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@H](c2cncc(-c3cc[nH]n3)n2)C1 585180173 KOWUPYMBDAIQGM-LBPRGKRZSA-N 313.405 2.619 0 40 DFAB O[C@@H]1CCCC[C@H]1N1CCN(c2ccc(Cl)cc2F)CC1 585656296 JNKGEQFYLDBKFX-HZPDHXFCSA-N 312.816 2.905 0 40 DFAB Clc1ccc2ncc(-c3cncc(C[C@@H]4CCNC4)n3)n2c1 585262931 FASDIVHBXANDKA-NSHDSACASA-N 313.792 2.597 0 40 DFAB CSC[C@](C)(O)CNC(=O)c1ccc(Cl)c2cccnc12 76018447 VUHQPNGVAWDXPV-OAHLLOKOSA-N 324.833 2.732 0 40 DFAB COCC(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C 55593874 HHMIEUZDOBMGLT-CHWSQXEVSA-N 318.417 2.698 0 40 DFAB Cc1cc(C(=O)NCc2csc(Br)c2)on1 41989474 NIQMVCKJKSMAIS-UHFFFAOYSA-N 301.165 2.737 0 40 DFAB COc1cccc(NC(=S)NC(=O)/C=C/c2ccco2)c1 267115 WQWCTBOLWVDIJQ-BQYQJAHWSA-N 302.355 2.815 0 40 DFAB C[C@H]1Cc2cc(C(=O)N3CCCC[C@H]3CN(C)C)ccc2O1 19497952 WQZVCCYENPAXON-BBRMVZONSA-N 302.418 2.566 0 40 DFAB COCC(=O)N1CCC(COc2nc3ccccc3s2)CC1 206599871 AVZICAJZWGZJMG-UHFFFAOYSA-N 320.414 2.560 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccsc2)C1=O 205777006 UFZUXGWILFCHOL-BJMVGYQFSA-N 311.384 2.736 0 40 DFAB CCn1nccc1CN1CCC(Oc2cccc(C)n2)CC1 154334337 KOAFGQLKJKDVMS-UHFFFAOYSA-N 300.406 2.650 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2ncccc2C)C1 643914172 NJDCOYYKWAZYOU-LJQANCHMSA-N 312.413 2.714 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2nc3ccccc3n2C)c1C 36398156 YUFBFIMFSZTSGO-UHFFFAOYSA-N 324.384 2.651 0 40 DFAB O=C(COc1ccccc1)N1CCc2nc3ncccc3cc2C1 1890034889 MBSSATCCDXMGNF-UHFFFAOYSA-N 319.364 2.594 0 40 DFAB COc1cccc(C(=O)NC2(c3noc(C)n3)CCCCC2)c1 24928181 IGIFSLHOASACAJ-UHFFFAOYSA-N 315.373 2.976 0 40 DFAB CCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2 1565552425 SRQKOUIBARZNAM-UHFFFAOYSA-N 310.344 2.548 0 40 DFAB COc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 425738 MQNIQQRSPLTECZ-HXUWFJFHSA-N 323.416 2.955 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1 4135085 YELQTTWPYJYMRK-UHFFFAOYSA-N 310.309 2.549 0 40 DFAB CN1CCN(C(=O)N2CCCC[C@H](c3ccccc3)C2)CC1 390825881 LYSHQZXZBHDLKH-KRWDZBQOSA-N 301.434 2.624 0 40 DFAB COc1ccc(Nc2nc(C)nc3c(C)nn(C)c23)c(OC)c1 32650479 WZNIBCPTQDOJLF-UHFFFAOYSA-N 313.361 2.741 0 40 DFAB CCOc1ncccc1CNC(=O)c1cn(C)c2ccccc12 30308565 LMFHLNORAKXVCZ-UHFFFAOYSA-N 309.369 2.902 0 40 DFAB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@H]2C(C)=NN=C2C[C@@]1(C)O 101997974 OATADCACUCTNIL-YLFCFFPRSA-N 302.349 2.716 0 40 DFAB COc1cccc(N(C)S(=O)(=O)c2cc(C)sc2C)n1 32759216 YCDUGZHYANQZNK-UHFFFAOYSA-N 312.416 2.594 0 40 DFAB Cc1cccc(O[C@H](C)C(=O)NC2(c3noc(C)n3)CCC2)c1 32915593 ANXMCWDUMVBUMZ-GFCCVEGCSA-N 315.373 2.649 0 40 DFAB O=C(Nc1cccc(F)c1)c1coc(=O)c(Br)c1 521295 HOCMPYZCTOOHOQ-UHFFFAOYSA-N 312.094 2.794 0 40 DFAB O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 504427 AWMOAZTUTVLRFD-UHFFFAOYSA-N 307.758 2.685 0 40 DFAB Cc1noc(C)c1CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 22394630 SIGRSEKWHKKBHH-UHFFFAOYSA-N 313.309 2.854 0 40 DFAB COc1ccc(CCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 22472888 XFWTXJXHARUOST-UHFFFAOYSA-N 324.384 2.857 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@H](O)c1ccc(Cl)cc1 71185567 OLKJQECABKMZSK-AWEZNQCLSA-N 316.744 2.890 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(N)c1 47844050 FHPIOAMZSNTQTI-AWEZNQCLSA-N 320.389 2.825 0 40 DFAB in-vitro O=C(O)c1ccccc1C(=O)NCCc1c[nH]c2ccccc12 1744150 WTZZJQFENQOMLV-UHFFFAOYSA-N 308.337 2.839 0 40 DFAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 2307301 NGDKSUMWAZNTCW-OWLYRPNTSA-N 317.344 2.646 0 40 DFAB COc1ccc(CN(C)C(=O)Cc2c(C)noc2C)c(OC)c1 23495193 XBFQIYAVCUNQED-UHFFFAOYSA-N 318.373 2.510 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)sc1C 97636001 PHLLFNOBHHWPAW-UHFFFAOYSA-N 314.366 2.843 0 40 DFAB COCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 4341939 BPTHNDNPNIAULA-UHFFFAOYSA-N 317.414 2.821 0 40 DFAB COc1ccc(OC[C@H](C)NC(=O)c2ccccc2OC)cc1 10542544 NWODQCQVLUKCHY-ZDUSSCGKSA-N 315.369 2.901 0 40 DFAB Cc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1 8306380 KUHUMJZGDGXGBW-MRXNPFEDSA-N 313.353 2.706 0 40 DFAB CCOC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 1441618 RKVJZTAGYSHSBP-HNNXBMFYSA-N 311.341 2.914 0 40 DFAB O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 8987936 WCTDVFKENTZFLI-KRWDZBQOSA-N 314.429 2.732 0 40 DFAB OCCCCCNc1ncnc2ccc(Br)cc12 1778626 WBZBOJFVIKNWEN-UHFFFAOYSA-N 310.195 2.967 0 40 DFAB CCC[C@@H](NC(=O)CNC(=O)c1ccoc1C)c1ccccc1 48229253 MBLYXHMTXNKJSF-MRXNPFEDSA-N 314.385 2.975 0 40 DFAB O=C(NCCNc1ccccn1)Nc1ccn(-c2ccccc2)n1 48248422 WLTUCKCZFLLLPF-UHFFFAOYSA-N 322.372 2.501 0 40 DFAB CS(=O)(=O)CCN1CCCC[C@H]1c1nc2ccccc2s1 44871841 ZKCXMULLNNUJJC-ZDUSSCGKSA-N 324.471 2.868 0 40 DFAB CCCC(=O)NCc1ccc(OC[C@@H]2CCCO2)c(OC)c1 58264099 WNOOLSMXUPZTOZ-AWEZNQCLSA-N 307.390 2.669 0 40 DFAB Cc1cscc1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 95439889 HCSDFYVIWPJLKX-GFCCVEGCSA-N 319.382 2.764 0 40 DFAB Cc1nc2ccccc2nc1CSCC(=O)N1CCCC1 58692292 OZOJSPHPNODMPJ-UHFFFAOYSA-N 301.415 2.794 0 40 DFAB COc1ccc(NC(C)=O)c(NC(=O)COC2CCCC2)c1 48340762 PTSCCDIKRBVNPN-UHFFFAOYSA-N 306.362 2.551 0 40 DFAB Cc1c([C@@H](C)NC(=O)NCC2(c3ccccc3)CC2)cnn1C 48358082 LGJWVNKQIRTVGB-CYBMUJFWSA-N 312.417 2.821 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1F 57355248 NSYWFHDRQCDFLI-WMLDXEAASA-N 318.392 2.748 0 40 DFAB NC(=O)COc1ccc(Br)cc1Cc1ccccc1 57352728 BQJRTUPTXKABLN-UHFFFAOYSA-N 320.186 2.904 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N[C@H](CO)C(C)(C)C 178372377 YCBVMNZRIIUSBE-CQSZACIVSA-N 320.437 2.519 0 40 DFAB CCCCN1C(=O)S[C@H](Nc2cccc(C(=O)O)c2)C1=O 12113072 MTQKVXNCXYJPHN-NSHDSACASA-N 308.359 2.618 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)Cc2ccco2)n1 47095626 RVGVZADWYAEYHY-LBPRGKRZSA-N 304.394 2.571 0 40 DFAB COC1(C(=O)NCCc2coc(-c3ccccc3)n2)CCC1 96006003 CUKRCXYESPDPEA-UHFFFAOYSA-N 300.358 2.569 0 40 DFAB Cc1cc2sc(NC(=O)N3CC[C@H]([C@@H](C)O)C3)nc2s1 96010592 OCLLSNFPBFCQOC-BDAKNGLRSA-N 311.432 2.901 0 40 DFAB O=C(CSc1cn[nH]n1)Nc1ccc(Cl)cc1Cl 4386606 YVNUWWUCIFAVNS-UHFFFAOYSA-N 303.174 2.842 0 40 DFAB Cc1nc(COc2ccccc2C(=O)N2CCCCCC2)no1 65415410 WAHDFZATCRCKGU-UHFFFAOYSA-N 315.373 2.973 0 40 DFAB NC(=O)NC(=O)COc1ccc(-c2ccccc2)cc1Cl 6346195 IUWMEAMPLMCROE-UHFFFAOYSA-N 304.733 2.581 0 40 DFAB CC[C@H](C)NC(=O)c1cc(F)ccc1I 65585612 ADPKCPGAWANYBK-ZETCQYMHSA-N 321.133 2.959 0 40 DFAB C[C@@H](NC(=O)COc1cccc(F)c1)c1nc2ccccc2[nH]1 9364778 UEJWZWBLXXFADD-LLVKDONJSA-N 313.332 2.958 0 40 DFAB COC[C@@H](C)NC(=O)NCc1cccc(COC(C)(C)C)c1 65608219 QENWZNWNHWXQGM-CYBMUJFWSA-N 308.422 2.836 0 40 DFAB CCOc1cc(CO)cc(I)c1OCC 409043459 FIZFSXPCCKSMLX-UHFFFAOYSA-N 322.142 2.581 0 40 DFAB COc1ccc2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c1 4540642 NCZWSTSHIMRCQR-UHFFFAOYSA-N 315.369 2.665 0 40 DFAB 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40 DFAB C[C@H](Sc1ncn[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 7603880 KRTQNIBOWGNBOM-ZETCQYMHSA-N 316.308 2.943 0 40 DFAB COc1ccc(NC(=O)CSc2nnc(C)n2C2CC2)cc1 7617260 JCGWSDSHCXIKIA-UHFFFAOYSA-N 318.402 2.661 0 40 DFAB Cc1nc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cs1 71817245 NQANZPKUSBFEIM-UHFFFAOYSA-N 315.320 2.953 0 40 DFAB COc1cc(C(=O)NCc2ccccc2CN(C)C)ccc1C 7941656 NTMGZGRZDVOXJI-UHFFFAOYSA-N 312.413 2.995 0 40 DFAB Cc1nc(C)c(CCNC(=O)N[C@H](C)Cc2ccco2)s1 71888437 IQRUSOAHBLSYNO-SNVBAGLBSA-N 307.419 2.826 0 40 DFAB C[C@@H]1CN(C(=O)CSc2nccc3ccccc23)C[C@@H](C)O1 16609432 ROYSYBZNNFSCMN-CHWSQXEVSA-N 316.426 2.963 0 40 DFAB Cc1nc(C2CCN(C(=O)Nc3cccc(F)c3)CC2)no1 69218897 YPWXAWMPFBIMKK-UHFFFAOYSA-N 304.325 2.929 0 40 DFAB O=C1CCCCC2(CCN(C(=O)OCc3ccccc3)CC2)N1 91302978 DZRQAACZBOUAOD-UHFFFAOYSA-N 316.401 2.848 0 40 DFAB in-vitro Cc1cnn(C[C@H]2CCCN2C(=O)c2csc(C3CC3)n2)c1 70015435 QLGMOMSJPAIMLZ-CYBMUJFWSA-N 316.430 2.830 0 40 DFAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 69458808 FTXGCIFCKDVHFT-AMKSKSKJSA-N 315.392 2.952 0 40 DFAB CCOc1ccccc1CN(CCCn1ccnc1)CCOC 69699439 PTWLTLYOUWTMCV-UHFFFAOYSA-N 317.433 2.821 0 40 DFAB Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CCC(=O)N3)c2)c1 69775803 MYGWXAKNEUUFIJ-KRWDZBQOSA-N 308.381 2.557 0 40 DFAB CCCOc1cc(C)ccc1CNC(=O)N1CC[C@@H]([C@H](C)O)C1 97108020 ZMCOSSTVTWTBBD-GOEBONIOSA-N 320.433 2.696 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)c2cc3ccccn3c2)c1 69967718 RIKRESIDBJBZKJ-UHFFFAOYSA-N 314.366 2.595 0 40 DFAB O=C(NCc1ccc(OCCN2CCCC2)cc1)C1=CCCC1 97227997 YLQHSYYPUQPMGX-UHFFFAOYSA-N 314.429 2.888 0 40 DFAB O=C(NC1CC1)c1cccc(OC(=O)c2cccnc2Cl)c1 84374518 HWXSXKPNRBZMJN-UHFFFAOYSA-N 316.744 2.846 0 40 DFAB Cn1ncc(N2CCC[C@H](Nc3ccccc3)C2)c(Cl)c1=O 95415100 KOJVVFCVFOMEDO-ZDUSSCGKSA-N 318.808 2.515 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1 95464411 YRSQTTUYSPGRNE-UHFFFAOYSA-N 317.433 2.521 0 40 DFAB CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@H](C)C1)N1CCOCC1 95401804 YQDORLCHQGKIPK-BHYGNILZSA-N 310.482 2.818 0 40 DFAB CCC[C@H]1CN(C(=O)N[C@@H](c2ccccn2)C(C)C)CCO1 95442725 AURSETZQUKMUMV-GOEBONIOSA-N 305.422 2.989 0 40 DFAB CCc1oc(C(=O)Nc2cc(C(N)=O)ccc2N(C)C)cc1C 95415221 VFLJGIGQWYWMLB-UHFFFAOYSA-N 315.373 2.568 0 40 DFAB O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccon2)c1 95977607 DMNKDJRZCDEZBP-UHFFFAOYSA-N 321.336 2.857 0 40 DFAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CC1(N)CCC1 95971716 RQDXKCOFRMJXJL-OAHLLOKOSA-N 301.434 2.515 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)N2CCC(C(=O)O)CC2)cc1 95969451 YQHMYRICOSAWLZ-UHFFFAOYSA-N 314.341 2.587 0 40 DFAB Cc1nc([C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)CCO2)no1 95998897 RAZVJCJPDYMEHL-LBPRGKRZSA-N 322.752 2.637 0 40 DFAB C[C@H](O)CCN(C)C(=O)N[C@H](C)c1cc(F)c(F)c(F)c1 95971263 UNLIYKOBFLNJPT-DTWKUNHWSA-N 304.312 2.577 0 40 DFAB Cc1nc([C@H]2CN(CCSc3ccccc3)CCO2)no1 95960177 BCAWMTVOHQWWTF-CQSZACIVSA-N 305.403 2.544 0 40 DFAB COc1ccc(Br)cc1-c1nc(CNN)cs1 21961382 MVMAIVXVIZWIHQ-UHFFFAOYSA-N 314.208 2.545 0 40 DFAB O=S(=O)(Nc1ccncc1)c1cccc(Br)c1 37385853 ICOOOAVLTGLQTB-UHFFFAOYSA-N 313.176 2.645 0 40 DFAB CC(C)C(=O)N1CCCN(CCOC2CCCCCC2)CC1 77316033 CLIDOZSPAXAULI-UHFFFAOYSA-N 310.482 2.916 0 40 DFAB C[C@H]1CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 33296181 RPWQXDQJMQKTLU-ZOBUZTSGSA-N 321.461 2.833 0 40 DFAB CCN(C(=O)CC1=CCCCC1)[C@H](C)CS(=O)(=O)CC 79041825 OEKZQHFRTVDDEK-CYBMUJFWSA-N 301.452 2.549 0 40 DFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(CF)CC1 451769455 LSLBVTZSCBUZPV-UHFFFAOYSA-N 311.422 2.936 0 40 DFAB COc1cc(CN2CCN(C3CCCC3)CC2)cc(OC)c1 131099071 ACQFLSBOGRRYMD-UHFFFAOYSA-N 304.434 2.764 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1 224206127 DMFWOIVEIKMZDY-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB C[C@H](CN1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccc(F)cc1 195573088 LIYSDZLVMBVRGV-RDTXWAMCSA-N 317.408 2.910 0 40 DFAB CCn1ccc2ccc(NC(=O)NC[C@@H]3CC[C@@H](O)C3)cc21 195578928 PMMJAALJCQWRPW-IUODEOHRSA-N 301.390 2.944 0 40 DFAB COc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1O 226298121 WKLMABIEVYWSEJ-UHFFFAOYSA-N 316.264 2.586 0 40 DFAB COC1(CNC(=O)NCc2cccs2)Cc2ccccc2C1 225722782 SWDIXBCOSWLFAR-UHFFFAOYSA-N 316.426 2.731 0 40 DFAB O=C(Cc1noc(COCC2CC2)n1)Nc1ccccc1Cl 69895519 VVALKDNQJCLCOV-UHFFFAOYSA-N 321.764 2.831 0 40 DFAB Cc1cccc(NC(=O)COc2nn(-c3ccccc3)cc2C)n1 226852262 UYCCVOFUHABNFJ-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB CCO[C@H](C)c1nc(Cn2ccnc2-c2cnccn2)cs1 96424901 KMOOULUMACCFAI-LLVKDONJSA-N 315.402 2.942 0 40 DFAB Cc1cccc(NC[C@@H]2CCN(Cc3c(C)noc3C)C2)n1 97200843 BUKLTPQHNBCAAP-HNNXBMFYSA-N 300.406 2.929 0 40 DFAB CCN1CCn2c(C)cnc2C12CCN(Cc1ccco1)CC2 96037051 MOXDZGYZQDKJNK-UHFFFAOYSA-N 314.433 2.611 0 40 DFAB CN(CC1CCC1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 96436502 LKIUHENGQRBNQD-UONOGXRCSA-N 310.438 2.938 0 40 DFAB CCSC1(CNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)CCOCC1 96444044 DHUNCTORYCZDMQ-GJZGRUSLSA-N 324.490 2.896 0 40 DFAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)o1 96057967 NUXPWUSKDMEDNI-RCCFBDPRSA-N 314.385 2.794 0 40 DFAB CCOc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OCC 95534590 IMCSPXZSPWSIMS-AWEZNQCLSA-N 318.421 2.948 0 40 DFAB CO[C@H](CNC(=O)Cc1c(C)noc1C)c1ccccc1C 96105026 CHBLEOASMCRABT-MRXNPFEDSA-N 302.374 2.646 0 40 DFAB CN(C)c1nc2ccc(NC3CCC4(CC3)OCCO4)cc2o1 97379280 BXQUXDAARJDNMC-UHFFFAOYSA-N 317.389 2.991 0 40 DFAB COC(=O)[C@@H](C)CNC(=O)Nc1ccccc1CC(F)(F)F 96461429 LGRYDTIVXBVLLC-VIFPVBQESA-N 318.295 2.722 0 40 DFAB COc1ccc(C(=O)NCc2ccc(C(C)=O)c(C)n2)c(F)c1 95448349 MISZUTXNNANINX-UHFFFAOYSA-N 316.332 2.670 0 40 DFAB O=C(NCc1ccco1)c1cccc(CN[C@H]2CCSC2)c1 96476638 PNKZMRBSQCWXMU-HNNXBMFYSA-N 316.426 2.805 0 40 DFAB C[C@]1(c2ccn[nH]2)CCCN(Cc2cnc3ccccc3n2)C1 257250245 JLSITFHQCCWYGF-SFHVURJKSA-N 307.401 2.907 0 40 DFAB COc1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)cc(OC)c1 257239755 HQRBNLXSEDISEN-AWEZNQCLSA-N 301.390 2.725 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc[n+]([O-])cc2)C2CC2)o1 41895011 PCHXOMUPSGKLGF-MLGOLLRUSA-N 312.369 2.841 0 40 DFAB CCN(Cc1cccc(Cl)c1)[C@@]1(C)CCS(=O)(=O)C1 575420734 JUNVQIIFBXDLBJ-AWEZNQCLSA-N 301.839 2.739 0 40 DFAB CO[C@@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1ccc(F)cc1 585276706 CUCBWNNZOVXBOE-RHSMWYFYSA-N 303.381 2.628 0 40 DFAB CC(C)CN1CCC[C@@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099877 OOJBAIRBFLHDNA-FUHWJXTLSA-N 308.466 2.669 0 40 DFAB C[C@H]1CCN(C(=O)Cc2cncn2C)c2ccccc2S1 585141165 QRLZEEDUECBPJE-LBPRGKRZSA-N 301.415 2.880 0 40 DFAB COCCOCc1cccc(NC(=O)NCc2ccncc2)c1 47589953 SFDGZOZXRROCIP-UHFFFAOYSA-N 315.373 2.566 0 40 DFAB CC(=O)Nc1cccc2c1CCN(C(=O)NCC1CCCC1)C2 56878461 VFIQASKTZXFLKW-UHFFFAOYSA-N 315.417 2.903 0 40 DFAB O=C(c1csnn1)N1CCn2cccc2[C@H]1c1ccccc1 57259252 YVPKJFKVGNVHGB-OAHLLOKOSA-N 310.382 2.585 0 40 DFAB CC[C@H](C(=O)OC)N(C(=O)c1cc(C)on1)c1ccccc1 96409921 KYRZFARUDGKBFF-CQSZACIVSA-N 302.330 2.581 0 40 DFAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1 189272187 WQSYUPBSHJWXTA-UHFFFAOYSA-N 318.314 2.830 0 40 DFAB O=C1NC(=S)N/C1=C/c1cccc(OCc2ccccc2)c1 64106 ROVFVJUJKZFITG-XNTDXEJSSA-N 310.378 2.611 0 40 DFAB CO[C@@H]1CN(Cc2cn(C)cn2)CC[C@@H]1Cc1ccccc1F 1615085461 MYTISSRLRXHDJY-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CC(=O)N2 17156322 WKEJJWHKOFBUFP-UHFFFAOYSA-N 316.744 2.852 0 40 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318.417 2.878 0 40 DFAB CCN(Cc1ccccc1)C(=O)c1csc(NC(C)=O)n1 32940550 ZEMZNALWIJHFRX-UHFFFAOYSA-N 303.387 2.764 0 40 DFAB Cc1nc(Sc2ncnc3ccsc23)sc1CC(N)=O 22202849 BSMWUQQHOCDGIS-UHFFFAOYSA-N 322.440 2.635 0 40 DFAB CC(C)Oc1ncc(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1Cl 53386225 GVVQDWOVJOGCIK-KGLIPLIRSA-N 324.808 2.916 0 40 DFAB CCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 410371 KCCDQHAEMQTXRF-UHFFFAOYSA-N 322.434 2.955 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 78159286 CQDMIEBFJOKAEA-QCODTGAPSA-N 303.377 2.859 0 40 DFAB Cc1nccn1CCCC(=O)N[C@H]1CCc2c(F)cccc21 78394387 GYDVIBWPILWYDM-INIZCTEOSA-N 301.365 2.915 0 40 DFAB COc1cccc(C(=O)NCCOc2ccccc2F)c1OC 23038867 BVJKEDRLQHZNNA-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB CN(c1ccccc1)c1ccccc1C(=O)NCC[S@@](C)=O 78765202 BDKYORBFAPPEEV-QFIPXVFZSA-N 316.426 2.563 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c(C)o1 23441679 WVTVZLHPQPLQKV-UHFFFAOYSA-N 316.376 2.994 0 40 DFAB O=C(CN1CCOCC1)Nc1ccc2oc3ccccc3c2c1 23761503 MNZXZDDARFVGLC-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB COc1ccc(Cc2noc([C@H]3C[C@@H]4CC[C@@H]3O4)n2)cc1OC 102755119 JHYNVADYZJPQKO-AVGNSLFASA-N 316.357 2.713 0 40 DFAB Cc1c(Nc2ccc(CO)cc2)c(=O)n(-c2ccccc2)n1C 12544089 NGSUEEVDWWCIQW-UHFFFAOYSA-N 309.369 2.720 0 40 DFAB O=C(Cc1noc([C@H]2C[C@@H]3CC[C@@H]2C3)n1)NCc1ccccc1 102761359 DDXLKSBIONZPAW-KFWWJZLASA-N 311.385 2.832 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cc1ccc(F)cc1 3238338 QNJPBDZPXRWQPV-STQMWFEESA-N 307.365 2.701 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)CSC(F)(F)F 57222950 DAZBGKIIAAFEEF-UHFFFAOYSA-N 316.308 2.767 0 40 DFAB COc1cccc(NC(=O)Cc2ccc(OC)cc2OC)c1 12615836 VZGWKOZKJXKQQE-UHFFFAOYSA-N 301.342 2.894 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)NOCc2ccccc2)c1C 12614897 TZAKUDHJVRHMAA-UHFFFAOYSA-N 316.357 2.670 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@H]1CCCc2ccccc21)C1CCCC1 12687528 XAWLULOHEWNJHJ-ROUUACIJSA-N 314.429 2.875 0 40 DFAB Cc1cc(O)c2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1 9306684 YMSRZCPZUFTNAE-UHFFFAOYSA-N 324.336 2.692 0 40 DFAB Cn1ccnc1SCc1cc(O)n(-c2ccc(F)cc2)n1 9937385 GPLILJNOYRAYIH-UHFFFAOYSA-N 304.350 2.743 0 40 DFAB CN(C)[C@@H](CNC(=O)CCc1ccccc1)Cc1ccccc1 27582581 ZRBUCYBJIOAEID-LJQANCHMSA-N 310.441 2.908 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)C1 58210396 ISWPNFKNXRZSPG-ZIAGYGMSSA-N 324.852 2.954 0 40 DFAB CCN(C)c1ccc(C(=O)N[C@@H](C)COCC(F)(F)F)cc1 58297681 AOXWWKXZBSHKOF-NSHDSACASA-N 318.339 2.840 0 40 DFAB Cc1ccccc1CN(C)C(=O)[C@H](C)OC[C@H]1CCCCO1 58313438 SZSGHCIIKQYKKB-DOTOQJQBSA-N 305.418 2.928 0 40 DFAB CC(C)c1ccc(OCCC(=O)N[C@H](C)c2nncn2C)cc1 58300540 RHKLGZXLVPQQHH-CYBMUJFWSA-N 316.405 2.585 0 40 DFAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1 3371335 WSSVCGXHRZCWPK-CPCISQLKSA-N 301.749 2.501 0 40 DFAB CS(=O)(=O)Cc1ccc(NC(=O)NC2CCCCC2)cc1 58461645 NINAZDYFEHSLQK-UHFFFAOYSA-N 310.419 2.685 0 40 DFAB CCOc1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 21367521 HSPPQRIBEHOIFA-CQSZACIVSA-N 309.325 2.901 0 40 DFAB Cn1cc(C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cn1 97203386 AIIZPBYVZRCTSI-UHFFFAOYSA-N 323.400 2.850 0 40 DFAB O=C(/C=C/c1ccc(Cl)cc1Cl)O[C@H]1CCOC1=O 3370234 WJQCJPVZUSMZFO-FWEMWIAWSA-N 301.125 2.865 0 40 DFAB Cc1cc(NC(=O)[C@H](Nc2ccn(C)n2)c2ccccc2)no1 10755466 BOTXEEMXWGDNMG-OAHLLOKOSA-N 311.345 2.508 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1nc(-c2ccco2)sc1C 48342900 PUBYLLGBVGLFCQ-LBPRGKRZSA-N 319.430 2.926 0 40 DFAB Cc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 48304024 FWMSLPLZHDGZOH-OAQYLSRUSA-N 301.411 2.804 0 40 DFAB Cc1n[nH]c(SCC(=O)NCCc2ccc(C(C)C)cc2)n1 11706462 DDWDWXZWPBMZRU-UHFFFAOYSA-N 318.446 2.688 0 40 DFAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CC[C@@H](O)C1 96009292 RWFUIQKDSCVUQI-CYBMUJFWSA-N 323.824 2.929 0 40 DFAB CCOc1ccc(NC2=NC(=O)S[C@@H]2CC(=O)OC)cc1 13635975 SGUTWKILHKAHKU-LLVKDONJSA-N 308.359 2.694 0 40 DFAB COC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 6099523 XESZBQOJZSRHNE-RXMQYKEDSA-N 306.174 2.690 0 40 DFAB COc1ccc(C(=O)OCCC2(C(C)C)OCCO2)c(OC)c1 84456493 KDQWSUVLTNHOMR-UHFFFAOYSA-N 324.373 2.650 0 40 DFAB C[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccc(F)c1 84697768 GGUTYPOCOGHZGK-FZKQIMNGSA-N 318.392 2.748 0 40 DFAB COC(=O)c1cc(NC(=O)C[C@@H]2C=CCC2)cc(C(=O)OC)c1 14016038 RUKSCSBYYCTZPS-LLVKDONJSA-N 317.341 2.555 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nnc(C2CC2)s1 9315693 UMVKHGSEIPUGEN-PRHODGIISA-N 317.370 2.583 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c2c(C)noc2n1 14180278 XXWCPKAKWCBEBD-UHFFFAOYSA-N 311.297 2.821 0 40 DFAB CCCC[C@H]1c2c(n(CCC)c(=O)[nH]c2=O)N[C@H]1C(F)(F)F 6429772 HUWLCCYVIZSBLU-WCBMZHEXSA-N 319.327 2.577 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2cccc3ncccc23)c(=O)[nH]1 14201115 HSVBQKONNVONAB-UHFFFAOYSA-N 322.368 2.506 0 40 DFAB COC(=O)C1(NCc2cccc(NC(C)=O)c2)CCC(C)CC1 96424462 FHXGFEDRHFCGGM-UHFFFAOYSA-N 318.417 2.857 0 40 DFAB Cc1ccc(-n2nc(C)c(C(=O)Nc3nccs3)n2)c(C)c1 7401152 TYNJAUPEXFQMHY-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)C1 80558303 MPDHBZJJHBQJDG-SOUVJXGZSA-N 311.495 2.540 0 40 DFAB CCC(=O)N(CC(N)=O)Cc1cccc(Oc2ccccc2)c1 71823366 QTKASEXDTIFWEV-UHFFFAOYSA-N 312.369 2.703 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCN3CCCC[C@H]3C2)n1 71839720 XPYYQRHHGDEOSC-LBPRGKRZSA-N 322.840 2.564 0 40 DFAB CCCc1cc(NC(=O)COc2cccc(C(C)=O)c2)n[nH]1 71896433 PKPQTVZILVTKRH-UHFFFAOYSA-N 301.346 2.582 0 40 DFAB Cc1cc(C[S@](=O)CCCC(=O)N(C)C)c2ccccc2n1 95413699 PWJIZIDEZMASTE-QFIPXVFZSA-N 318.442 2.660 0 40 DFAB COc1ccc(-c2nc(CN(C)CC(F)(F)F)no2)cc1 71900559 YTDPLJVYXQRKCV-UHFFFAOYSA-N 301.268 2.739 0 40 DFAB O=C1CC[C@H](C(=O)N2CC3(CCCC3)c3c(F)cccc32)CN1 69381408 LVMLPTLARPUOQN-LBPRGKRZSA-N 316.376 2.510 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)nn1-c1ccccc1Cl 69389363 DYZSXNYOKYAYMP-UHFFFAOYSA-N 304.781 2.855 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](n2cccn2)C1 69417937 KCTGAQPGJLOVOD-DOTOQJQBSA-N 313.401 2.652 0 40 DFAB COc1ccccc1C(=O)OCc1ccnc(-n2ccnc2)c1 95410948 NAKRRMLOPQDQHX-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB CCCC1(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 95426237 LBSPIOVOWMVEHK-XJKSGUPXSA-N 312.479 2.921 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[C@]2(CCOC2)C1 95427120 DLLCVBRNVJHGGC-WBVHZDCISA-N 322.449 2.690 0 40 DFAB Clc1cccc(N2CCN(c3ncnc4[nH]ccc34)CC2)c1 82359062 WUWSJZJZLJLZJJ-UHFFFAOYSA-N 313.792 2.938 0 40 DFAB Brc1ccccc1[C@H]1CN(Cc2cnc[nH]2)CCO1 92592328 XSVHRMRYWQWPIC-CQSZACIVSA-N 322.206 2.746 0 40 DFAB CSc1nc2ncnc(N3CCC(NC4CC4)CC3)c2s1 92686247 CJMJZTLWMUSASY-UHFFFAOYSA-N 321.475 2.529 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1 25152935 LTTLEMHBAHSZTD-RHSMWYFYSA-N 311.381 2.712 0 40 DFAB COc1ccc(CN2CC[C@H]([C@H](C)N)C2)cc1Br 97053163 JUGNYOLXLIDYSW-JQWIXIFHSA-N 313.239 2.627 0 40 DFAB O=C(NCCNc1cccc(Br)c1)c1ccc[nH]1 97048685 PMIOFIGRBUKJAX-UHFFFAOYSA-N 308.179 2.619 0 40 DFAB CC(C)(C)Sc1cc(C(=O)NCCn2ccnc2)ccn1 97047967 ARPFNQDCBZDORE-UHFFFAOYSA-N 304.419 2.599 0 40 DFAB COC1CCC(OC(=O)c2ccc(-c3ncn(C)n3)cc2)CC1 97056236 LPLAAAPDSSXAPV-UHFFFAOYSA-N 315.373 2.597 0 40 DFAB COC[C@H]1CCCN(C(=O)/C=C(\C)c2cccc(OC)c2)C1 98056373 DXPUIRRHYVJFMV-IPJDOKCGSA-N 303.402 2.984 0 40 DFAB O=C(NCCNCc1cnc(C2CCC2)s1)C1CCCC1 95966148 GFLCMSIEZSCVHH-UHFFFAOYSA-N 307.463 2.807 0 40 DFAB CN(C[C@@H]1CCCO1)C1CCC(NC(=O)OC(C)(C)C)CC1 95964046 CGXWPHOZZBAEFI-NRXISQOPSA-N 312.454 2.933 0 40 DFAB Cc1nn(C)c2sc(C(=O)Nc3cnc(C4CC4)nc3)cc12 89568264 MTWJZMSKYCLBCP-UHFFFAOYSA-N 313.386 2.863 0 40 DFAB CN(CCc1cccs1)[C@@H]1CCCN(c2cccnn2)C1 75128813 LTAJQXMSGGHCCI-CQSZACIVSA-N 302.447 2.681 0 40 DFAB C[C@H](CNC(=O)N1CCc2ccccc21)CC1(C)OCCO1 89895165 QNWSDKWNQQWEHG-ZDUSSCGKSA-N 304.390 2.548 0 40 DFAB O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc[nH]n1 89878978 OZLCGGXREAKNNB-HNNXBMFYSA-N 312.760 2.978 0 40 DFAB CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 89943574 LGHVYZXBQIVUFX-GUYCJALGSA-N 313.401 2.880 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cnccn2)cc1 76068517 VLDORUFXIGDIEC-RDJZCZTQSA-N 311.385 2.683 0 40 DFAB Nc1ncccc1CN1CCc2[nH]cnc2[C@@H]1Cc1ccccc1 67755790 YJVMEZJPVZKGNW-KRWDZBQOSA-N 319.412 2.729 0 40 DFAB Cc1ccccc1[C@H](C(=O)O)N1CC[C@H](O)[C@@H](C2CCCC2)C1 1549222713 JGLCULWPAZBBSM-FGTMMUONSA-N 317.429 2.994 0 40 DFAB O=C(N[C@H]1CC12CCCC2)[C@H]1CCCN(c2ccccc2)C1=O 507269063 VOAFUNJPTOUNFB-CVEARBPZSA-N 312.413 2.879 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1ccc(C)cc1Cl 77658971 MSUKWRFLMXOQDX-SNVBAGLBSA-N 302.827 2.884 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 72203763 AFZZIWVEILZZEB-NSHDSACASA-N 313.785 2.908 0 40 DFAB C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1nccn1C 78657688 XMVNOLBJPNEWQC-SECBINFHSA-N 318.320 2.974 0 40 DFAB CSC1=N/C(=C/c2ccco2)C(=O)N1CN1CCCCC1 31872401 SZELRWDLPYBUNP-JLHYYAGUSA-N 305.403 2.625 0 40 DFAB O=C(c1ccco1)N1CCC(c2oncc2-c2cnccn2)CC1 72342654 JDHTTWKISYFQCU-UHFFFAOYSA-N 324.340 2.744 0 40 DFAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCOC1 72346634 RDUCIZOZOQUWPT-UKRRQHHQSA-N 301.386 2.976 0 40 DFAB CSc1nn2cc(C)[nH]c2c1S(=O)(=O)c1ccccc1 71328721 APCHCFUVPIXQKQ-UHFFFAOYSA-N 307.400 2.526 0 40 DFAB Cc1cccc(N2CCN(C(=O)Nc3cccnc3)[C@H](C)C2)n1 79355119 KSRNEEPPNJDWRM-CQSZACIVSA-N 311.389 2.528 0 40 DFAB C[C@H](NCc1nc(Cc2ccccc2)no1)[C@@H](C)n1cccn1 69777816 NGGYONIAXBWXQX-UONOGXRCSA-N 311.389 2.596 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)NCCCn1ccnc1 47081083 HDHMFAYOSIONBH-AWEZNQCLSA-N 303.431 2.711 0 40 DFAB Cn1cc([C@H]2OCC[C@H]2CNCc2csc(C3CC3)n2)cn1 84317598 KOWFLXVNEKTSJS-WFASDCNBSA-N 318.446 2.621 0 40 DFAB Cc1nccn1-c1ncccc1CNC(=O)[C@@H]1C[C@H]1c1ccco1 195529611 IBXQVXCAAYXMLX-HUUCEWRRSA-N 322.368 2.589 0 40 DFAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CC 223559461 KVUXTKMKROGICI-OAHLLOKOSA-N 304.434 2.773 0 40 DFAB c1ccc2c(NCCOc3ccc4c(c3)OCO4)ncnc2c1 48264244 HOURRUYLDGRHRJ-UHFFFAOYSA-N 309.325 2.849 0 40 DFAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222852140 UERJIHLMGRJCKQ-GJZGRUSLSA-N 300.431 2.801 0 40 DFAB COc1cc(C(=O)N[C@@H](CO)c2ccccc2)ccc1Cl 97232968 RSCGYUQDFPVTDF-AWEZNQCLSA-N 305.761 2.812 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)NC/C=C/c2ccccc2)cc1 95396011 FNLCMLAULWBTFN-VMPITWQZSA-N 315.394 2.533 0 40 DFAB C[C@@H]1CN(C(=O)NCc2nccn2C)CC[C@H]1c1ccccc1 96440542 SJAMHWDPLODASE-GDBMZVCRSA-N 312.417 2.755 0 40 DFAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1Cl 96041428 SVNXQXITTSDJLM-ZMSDIMECSA-N 323.820 2.677 0 40 DFAB CCN1CC[C@@H](N(C)C(=O)c2cc3cccnc3[nH]2)C[C@@H]1C 334125357 OUYMUITYVCLYKS-GXTWGEPZSA-N 300.406 2.508 0 40 DFAB CCOc1ccccc1CN1CCOC[C@@H]1c1nc(C)c[nH]1 257217804 DARAURVNPCDARG-OAHLLOKOSA-N 301.390 2.690 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 257209337 BPZYFTCSJGARSV-OAHLLOKOSA-N 313.401 2.869 0 40 DFAB Cc1ccc(CN(C2CC2)S(=O)(=O)c2c(C)noc2C)cc1 28054672 HYKCQXSXAKVAML-UHFFFAOYSA-N 320.414 2.953 0 40 DFAB C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccn(C)n1 680630466 MUOSUEHLXVGDQS-HOCLYGCPSA-N 312.417 2.550 0 40 DFAB Cc1ccc(NC(=O)C2CCN(C(=O)NC3CC3)CC2)c(C)c1 32912969 ANKZWVYBUFEQMA-UHFFFAOYSA-N 315.417 2.826 0 40 DFAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@H]1COCCO1 55949892 XPAHQSIDLZLCEX-MRXNPFEDSA-N 317.316 2.972 0 40 DFAB CC(C)CNC(=O)Nc1cc(CS(C)(=O)=O)ccc1Cl 76017059 VJBCOSYPUHPJOZ-UHFFFAOYSA-N 318.826 2.662 0 40 DFAB O=Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl 79033909 IANMELYZHOCMCB-UHFFFAOYSA-N 320.757 2.739 0 40 DFAB C[C](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 1560405319 BTWYPPCSKYHOLE-UHFFFAOYSA-N 315.780 2.786 0 40 DFAB Cc1ccn(CCNC(=O)Cc2coc3cc(C)c(C)cc23)n1 12199188 CKQBWGAGDKRCOY-UHFFFAOYSA-N 311.385 2.913 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2 12756794 MWJXFIJYIYTMRO-LLVKDONJSA-N 308.337 2.609 0 40 DFAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)C[C@H]1c1ccccc1 15086151 NWEADRPFLOCGNK-JCKWVBRZSA-N 304.386 2.842 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 16183428 VBMURHZLVZPEDF-UHFFFAOYSA-N 319.382 2.688 0 40 DFAB O=C(C1CCCCC1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19341015 OGOIUEOMNNCCTD-CQSZACIVSA-N 312.373 2.985 0 40 DFAB Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2csc(C)n2)n1 607853342 LOFDNWMNFCUKFQ-MRXNPFEDSA-N 316.430 2.630 0 40 DFAB Cc1cc(C(=O)Nc2cccc3nsnc23)nc(C2CC2)n1 1888890405 WCQOZMYHOMUCGQ-UHFFFAOYSA-N 311.370 2.919 0 40 DFAB CCN(CC)CCNCc1cc(Cl)c(OC)c(OC)c1 22076113 XBFGFCCEFUIAJQ-UHFFFAOYSA-N 300.830 2.789 0 40 DFAB Cc1cc(Nc2ncnc3c2nnn3C)ccc1Br 5250361 XDWWJXDRZAFWJQ-UHFFFAOYSA-N 319.166 2.573 0 40 DFAB COC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716706 UDFLCDJKIWZURO-UHFFFAOYSA-N 304.371 2.785 0 40 DFAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 23105615 VUADWAZZIPUNGG-OAHLLOKOSA-N 318.442 2.854 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cnnn2)cc1 40457551 YALQYZVRKQCRGE-UHFFFAOYSA-N 319.368 2.564 0 40 DFAB CC(=O)NCc1ccc(C(=O)N2CCc3sccc3C2)cc1 40485583 PWROXTJYHPBYSF-UHFFFAOYSA-N 314.410 2.583 0 40 DFAB CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1N 385202 WEQWWCJVXILSMS-UHFFFAOYSA-N 302.359 2.549 0 40 DFAB C[C@H](NC(=O)c1cncn1-c1ccc(F)cc1)c1ccncc1 32719605 LRFWVTZHEFYIOA-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB C[C@]1(C(=O)Nc2ccc(-n3cccn3)nc2)CC1(Cl)Cl 32754758 KEQQVEAVPWKHOY-GFCCVEGCSA-N 311.172 2.790 0 40 DFAB Cc1csc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 21482866 KWOJAVLACSWCKB-LBPRGKRZSA-N 308.790 2.725 0 40 DFAB CCOC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccccc1C)C(C)C 32912154 GMFMPEPTOGLUTE-DZGCQCFKSA-N 306.406 2.943 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)[C@H]1CC(c2ccccc2)=NO1 33164337 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CC(C)N(CCNC(=O)[C@H]1Cc2ccccc2S1)C(C)C 12730964 OXFJHORKRANXSR-MRXNPFEDSA-N 306.475 2.938 0 40 DFAB COc1ccc(N)cc1NC(=O)c1cncc(Br)c1 20480811 ZUHJBYRWYRWOOH-UHFFFAOYSA-N 322.162 2.687 0 40 DFAB O=C1C[C@H](c2noc(-c3ccco3)n2)CN1Cc1ccccc1 56905960 FLGUXBGHELHXSZ-ZDUSSCGKSA-N 309.325 2.846 0 40 DFAB COCc1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1 44937069 ZJIHKPZXVQOBQR-CYBMUJFWSA-N 304.390 2.866 0 40 DFAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccnc1 58304671 IABLHSCGRJXSFY-UHFFFAOYSA-N 317.820 2.939 0 40 DFAB CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCC2)c1 58369218 SBVPDVCCNDBEIC-UHFFFAOYSA-N 302.374 2.801 0 40 DFAB CCc1ccc(CCC(=O)N2CCC(C(=O)OC)CC2)cc1 10542150 IXCXBRPHJYJPJP-UHFFFAOYSA-N 303.402 2.593 0 40 DFAB CC(C)[C@H]1CC[C@H](C(=O)NCCc2nncn2C2CC2)CC1 101773845 KZUMMPKUIDBBJV-OKILXGFUSA-N 304.438 2.734 0 40 DFAB CC(C)OC(=O)CCNC(=O)c1cc2c(s1)CC[C@H](C)C2 10667415 IQLITZVCWHYWOQ-NSHDSACASA-N 309.431 2.944 0 40 DFAB CN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1Cc2ccccc2O1 58757262 KSEOSTAVFURHKR-INIZCTEOSA-N 314.360 2.971 0 40 DFAB Cc1nc(CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cs1 45343676 LDANIIYGQDHURX-NWDGAFQWSA-N 310.467 2.514 0 40 DFAB CCOCCOCC(=O)Nc1ccc(OC(F)(F)F)cc1 56970767 IXYFGGDOKGAPTD-UHFFFAOYSA-N 307.268 2.577 0 40 DFAB Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)c(C)c2)c1 57438532 GKQZKSIGTPLMLC-KRWDZBQOSA-N 313.397 2.782 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)OC 59616683 UGIFDBSBKHFPRX-XHDPSFHLSA-N 300.358 2.552 0 40 DFAB O=C(Nc1nccs1)c1ccc(OC[C@@H]2CCCO2)cc1 3549594 OFPHPSIOQWXUEQ-ZDUSSCGKSA-N 304.371 2.953 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(-c2ccn[nH]2)c1 24890589 XIHGCVUTDGAYMX-UHFFFAOYSA-N 309.373 2.608 0 40 DFAB CCn1cnnc1CNC(=O)N(C)[C@H]1CCCc2ccccc21 46965046 NBDLZFWTCJMEKP-HNNXBMFYSA-N 313.405 2.517 0 40 DFAB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)O 3887632 MIHKCDODXVZNNR-ZETCQYMHSA-N 324.427 2.570 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)OC 13591530 WQBUFZOJUNBNKN-IJEWVQPXSA-N 320.433 2.895 0 40 DFAB CC(C)CNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64334472 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CCOC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 18207279 DDUHZNWQDYNCKE-KBPBESRZSA-N 301.342 2.543 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(N)s1 8734487 IXTYNCAMSIKDQD-DTWKUNHWSA-N 320.443 2.579 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1 9815961 HIEVGWYFJAZVSP-GWCFXTLKSA-N 321.446 2.729 0 40 DFAB OC[C@H]1C=C[C@@H](NC2CCN(Cc3ccccc3Cl)CC2)C1 97081097 ASYHBAIIQMCLGP-WMLDXEAASA-N 320.864 2.831 0 40 DFAB Cc1nc(C[S@@](=O)Cc2nc(-c3ccsc3)no2)oc1C 97083597 OJQYCSCXKAQFAQ-NRFANRHFSA-N 323.399 2.852 0 40 DFAB CN1CC[C@H](NC(=O)Nc2ccc3c(c2)oc2ccccc23)C1=O 72292001 YHYOSBJFALLLJN-AWEZNQCLSA-N 323.352 2.938 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2csc(C)n2)n1 75129800 WCFGQNFONWECSB-AWEZNQCLSA-N 318.446 2.960 0 40 DFAB Cn1cncc1CN1CCN(Cc2cccc3ccccc23)CC1 72312037 YQLXERXXQAEVBY-UHFFFAOYSA-N 320.440 2.891 0 40 DFAB O=C(CCCn1cncn1)N(Cc1ccco1)C1CCCC1 84432490 BFVNSGFGPLVFGX-UHFFFAOYSA-N 302.378 2.623 0 40 DFAB NC(=O)c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 85430049 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Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@H](C(F)(F)F)C1 78441190 CGTFKMGKMVDWMH-ONGXEEELSA-N 318.343 2.773 0 40 DFAB Cc1n[nH]c(C)c1CCOC(=O)c1ncccc1C(F)(F)F 183702525 DFLKKXPHYQQETC-UHFFFAOYSA-N 313.279 2.840 0 40 DFAB O=C1CSc2ccccc2N1Cc1nc(-c2ccccn2)no1 78773814 KADXEJDYLYBZSM-UHFFFAOYSA-N 324.365 2.771 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCSCC[C@H]1C 189292963 ALMAQCGIVSLHJZ-NWDGAFQWSA-N 324.494 2.505 0 40 DFAB CCCOc1ccc(NC(=O)C(C)(C)OC)cc1C(=O)OC 225788828 MNRPRXKUTOMMQA-UHFFFAOYSA-N 309.362 2.626 0 40 DFAB CC(C)c1ccc(NC(=S)NCCN2CCCC2=O)cc1 225811348 CVRYHCMKWNVGIL-UHFFFAOYSA-N 305.447 2.719 0 40 DFAB CCc1ccc([C@H](CNc2ncnc3[nH]cnc23)N(C)C)cc1 47509313 LHOCYVHTIPYDSF-AWEZNQCLSA-N 310.405 2.630 0 40 DFAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1ccc2c(c1)OCCO2 530173143 CYQLHFFSFAMNBH-RYUDHWBXSA-N 305.374 2.531 0 40 DFAB Cc1ccc(CS(=O)(=O)NC(=O)CC(C)(C)C)c(F)c1 190882538 XRPPWGZEEBEISS-UHFFFAOYSA-N 301.383 2.516 0 40 DFAB CCN(CC)c1nccn2nc(-c3ccc(F)cc3)c(CO)c12 96530842 QEJZNHNKSYNRBR-UHFFFAOYSA-N 314.364 2.874 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)CC(=O)NCc2ccco2)s1 96424504 LCDLTPCUIXGBSQ-GFCCVEGCSA-N 321.446 2.916 0 40 DFAB O=C1CCC2(CCC(NCc3cccnc3)CC2)N1CC1CC1 96075862 PEHJTZVRIRPVEI-UHFFFAOYSA-N 313.445 2.885 0 40 DFAB Cc1cc([C@@H]2CCCN2CCOc2cccc(C(=O)O)c2)on1 580336347 JDFRLOWZMDFDQH-HNNXBMFYSA-N 316.357 2.897 0 40 DFAB CCn1ccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)n1 96192931 HIYVBCNQWCFRBD-MRXNPFEDSA-N 316.336 2.564 0 40 DFAB COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)C 96420637 XVCURVSBSTUVEM-GFCCVEGCSA-N 314.223 2.733 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2cc(F)ccc2Cl)n1 97375676 YZOFEDHCGUJBGP-UHFFFAOYSA-N 315.757 2.687 0 40 DFAB c1cncc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1 96249230 BAPCCJNRVAAEOP-CVEARBPZSA-N 314.458 2.635 0 40 DFAB c1cncc(CO[C@H]2C[C@H]3C[C@H]2CN3Cc2nccs2)c1 247972640 VGTUHTNVPIEPGD-ZNMIVQPWSA-N 301.415 2.718 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)c2c1 257241881 IABCMNVXIZOTQE-GFCCVEGCSA-N 324.384 2.919 0 40 DFAB c1ccc(-c2ncc(CN3CC[C@@H](c4ccn[nH]4)C3)cn2)cc1 257227755 FQSSEGKQPSYMOK-MRXNPFEDSA-N 305.385 2.856 0 40 DFAB CC(C)c1noc(N2CCC[C@@H]2c2nc(C(=O)O)cs2)n1 577495917 BKERSDLDMODQGH-SECBINFHSA-N 308.363 2.689 0 40 DFAB Cc1n[nH]c(C)c1CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585277700 OFGMLUGDAQHXNE-ROUUACIJSA-N 317.408 2.734 0 40 DFAB Cc1ccoc1C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 33194633 QHICCHURVDQMIC-UHFFFAOYSA-N 306.705 2.825 0 40 DFAB CCOCCCNC(=O)CCSCc1csc(C)n1 45169995 XBOZLIPAMVZSAJ-UHFFFAOYSA-N 302.465 2.618 0 40 DFAB COc1ccc([C@@H](CC(=O)OCCC(C)C)NC(C)=O)cc1 73412260 DPMKHELAYOQODF-MRXNPFEDSA-N 307.390 2.852 0 40 DFAB C[C@H]1CCc2c(C(=O)NCCNc3ncccn3)csc2C1 60629131 VQCARAMRYBDQRK-NSHDSACASA-N 316.430 2.505 0 40 DFAB C[C@@H]1CCc2sc(C(=O)NCCc3cnn(C)c3)cc2C1 42729424 XAJQBVUWNJWBDT-LLVKDONJSA-N 303.431 2.579 0 40 DFAB Cc1noc([C@H]2CCCN([C@H](C)c3nc(C(C)C)no3)C2)n1 106827933 YHBIWPGYZIMJGU-PWSUYJOCSA-N 305.382 2.825 0 40 DFAB O=C(OCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1 5109140 XZINOJRRQUMPLZ-UHFFFAOYSA-N 316.309 2.502 0 40 DFAB CCCC(=O)N1CCN(c2ccc(-c3ccccc3C)nn2)CC1 13661884 JTOJUUMFLGOJIA-UHFFFAOYSA-N 324.428 2.901 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CN(C)C 19078953 OLLMDMYMUYCEOU-UONOGXRCSA-N 308.397 2.536 0 40 DFAB O=C(Cc1ccccc1)N1CC[C@H]1c1nc(-c2cccnc2)no1 19370146 RMUJIQDWUDZIPI-HNNXBMFYSA-N 320.352 2.648 0 40 DFAB COc1ccccc1NC(=O)C(=O)N1CCc2c(C)cccc21 156754838 NJVMWYNBGJSEAJ-UHFFFAOYSA-N 310.353 2.531 0 40 DFAB COC(C)(C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 5962401 ICVVBGAHOQMQEJ-LBPRGKRZSA-N 318.325 2.704 0 40 DFAB biogenic,in-vitro CCN(Cc1cscn1)[C@H]1CCOC2(CCN(C)CC2)C1 643913729 FAUUSAMTLPZPMC-HNNXBMFYSA-N 309.479 2.608 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)CCC1CCCC1 9820512 GEOUEEVDMJYWSF-MRXNPFEDSA-N 300.402 2.661 0 40 DFAB CNC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 2664502 IECOTLIAMVOLTL-UHFFFAOYSA-N 308.432 2.737 0 40 DFAB O=c1[nH]nc(SCCOc2ccccc2Cl)n1C1CC1 18973918 IQRPABIUVLZOOC-UHFFFAOYSA-N 311.794 2.731 0 40 DFAB COc1ccc2[nH]cc(/C=C3/OC(=O)c4c3cc(C)[nH]c4=O)c2c1 4629773 HNZBXTJHLMPEKW-GIDUJCDVSA-N 322.320 2.842 0 40 DFAB Cc1ccc(C(=O)NCCNc2nc3ccccc3s2)cn1 40087229 LSGLRYFPHMJACH-UHFFFAOYSA-N 312.398 2.842 0 40 DFAB Cc1cc(C)n(-c2nc3nonc3nc2Nc2ccccc2C)n1 53163 PKFAUTOTUZRCMA-UHFFFAOYSA-N 321.344 2.867 0 40 DFAB Cc1cc(OCc2nc(-c3nonc3N)no2)cc(C)c1Cl 35178 LOQNHWXVNQCYRB-UHFFFAOYSA-N 321.724 2.551 0 40 DFAB Cn1c(/C(=C/Nc2ccccc2)[N+](=O)[O-])nnc1C(F)(F)F 100259589 LQLYZJALELXWIR-CLFYSBASSA-N 313.239 2.521 0 40 DFAB C[C@H]1c2ccsc2CCN1Cc1cc(=O)n2ccccc2n1 40466348 KNXJXVXBNVVMSK-LBPRGKRZSA-N 311.410 2.875 0 40 DFAB OCc1nc2ccccc2n1C[C@H](O)c1cc(F)ccc1F 51092862 IAZVLTFULOLAIC-HNNXBMFYSA-N 304.296 2.540 0 40 DFAB COc1cc(C)c(S(=O)(=O)N(C)C2CCCC2)cc1OC 32804288 CWXHPGWNYGOQRX-UHFFFAOYSA-N 313.419 2.575 0 40 DFAB Cc1csc(CNC(=O)c2cccc(N3CCCC3=O)c2)n1 32882245 YRNOPRXOHPIYSE-UHFFFAOYSA-N 315.398 2.508 0 40 DFAB O=C(CCN1CCSC1=O)OCc1cccc2cccnc12 32865450 XAYZTHKXHIEEBU-UHFFFAOYSA-N 316.382 2.837 0 40 DFAB Cc1noc2ncc(S(=O)(=O)NCCC3=CCCCC3)cc12 102658514 DGRURZPJYIGJSV-UHFFFAOYSA-N 321.402 2.700 0 40 DFAB COc1ccc(-c2ncc(C(=O)O)c(-c3ccncc3)n2)cc1 32918582 QMZMJWGYPIAZOX-UHFFFAOYSA-N 307.309 2.912 0 40 DFAB COc1ccc(CN(c2ncnc3c2cnn3C)C2CC2)cc1 22018416 AKDMCRRXGWRRAU-UHFFFAOYSA-N 309.373 2.541 0 40 DFAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 533052 ULMGNNFJGOAZQX-ZHRRBRCNSA-N 320.329 2.779 0 40 DFAB COc1cc(C(=S)N2CCCC2)cc(Br)c1O 1443834 DEUPURJOSGPZBX-UHFFFAOYSA-N 316.220 2.935 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 2419334 POKZHCUAIYONHJ-AWEZNQCLSA-N 312.369 2.650 0 40 DFAB O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCCC1 2628358 NAQFZEDEMWYGOO-UHFFFAOYSA-N 301.342 2.621 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 3325829 JUQXNRIBSPAGKJ-XJKSGUPXSA-N 319.401 2.937 0 40 DFAB Cc1nc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)c(Cl)cc1Cl 3425766 SYADVSLPWYLXJK-HTRCEHHLSA-N 317.172 2.835 0 40 DFAB Cc1ccc([C@H](C)n2cc(C(=O)NCc3ccccn3)nn2)cc1 4458538 CKTUBRPTJQKUHE-AWEZNQCLSA-N 321.384 2.521 0 40 DFAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1Cl 4583772 SXJAUZFRUYYWKB-UHFFFAOYSA-N 318.760 2.604 0 40 DFAB Cc1nc(SCC(=O)NC2CC2)c2c(C)c(C)sc2n1 4888848 SGAZXCMOPCSECL-UHFFFAOYSA-N 307.444 2.987 0 40 DFAB CCCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1 4892477 RVYJBBQEJFVJOI-OAHLLOKOSA-N 319.405 2.608 0 40 DFAB COc1ccc(CNCCCSc2ncccn2)cc1OC 4984049 IACZANRWZYQFOD-UHFFFAOYSA-N 319.430 2.766 0 40 DFAB CCc1ccccc1NC(=O)c1cc2cccnc2n(C)c1=O 5303602 AJNRHUJFWOCQSP-UHFFFAOYSA-N 307.353 2.748 0 40 DFAB CCCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OC)=C1C 6654697 MUQQZJWSHAEMLR-KAMYIIQDSA-N 315.369 2.778 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)c1cc2ccccc2o1 7735940 RLXHHJAVIQYNSY-UHFFFAOYSA-N 304.309 2.969 0 40 DFAB C[C@@H](CNC(=O)COc1ccc2c(c1)OCO2)c1ccccc1 8429192 BKAYTMTZKXSDLV-ZDUSSCGKSA-N 313.353 2.714 0 40 DFAB O=c1cc(NCCCOCc2ccccc2)nc2ccccn12 10996259 OMQXJJBHBAQDKA-UHFFFAOYSA-N 309.369 2.713 0 40 DFAB COc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 11775645 JQRGZKDIHWNNDL-QFIPXVFZSA-N 317.410 2.504 0 40 DFAB CN(C)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 12534287 MYJJRDOAJLHJJZ-UHFFFAOYSA-N 309.369 2.890 0 40 DFAB COC(=O)C1(NC(=O)/C=C/c2cccc(OC)c2)CCCCC1 12815177 JTNARDVHTIKISI-MDZDMXLPSA-N 317.385 2.701 0 40 DFAB O=C(NCc1ccc2c(c1)OCCO2)Nc1ccccc1F 12981214 UADMUDVDLGCVAU-UHFFFAOYSA-N 302.305 2.919 0 40 DFAB C[C@@H](NC(=O)COc1cccc(C(=O)O)c1)c1cccs1 13419181 BUVTZKFMWUHFCM-SNVBAGLBSA-N 305.355 2.703 0 40 DFAB O=C(COC(=O)c1cc(Br)c[nH]1)Nc1ccccc1 14185557 YKICUPFFNIVKFH-UHFFFAOYSA-N 323.146 2.573 0 40 DFAB CN(C[C@H]1O[C@@H]2CCCC[C@@H]2c2sccc21)S(C)(=O)=O 15024428 GLBKKNBARCSYRA-CYZMBNFOSA-N 315.460 2.737 0 40 DFAB Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12 18094183 MYHUWKTZJYGGBT-UHFFFAOYSA-N 313.386 2.701 0 40 DFAB O=C(CCCc1nc(-c2ccco2)no1)Nc1nccs1 20894323 NJXHGNMJLWWOOY-UHFFFAOYSA-N 304.331 2.748 0 40 DFAB Cc1ccc(-n2ccn(Cc3ccccc3C)c(=O)c2=O)cc1C 20902321 JVROZGGZTPGKSM-UHFFFAOYSA-N 320.392 2.973 0 40 DFAB Cc1csc(CN2CCN(C(=O)C3CCCCC3)CC2)n1 21687099 GJAQYMQLQOHMMM-UHFFFAOYSA-N 307.463 2.676 0 40 DFAB Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)on1 31397593 VJFNQULPOLMOQQ-LLVKDONJSA-N 313.357 2.823 0 40 DFAB CC(C)c1noc([C@H](C)n2nnc(-c3cccc(F)c3)n2)n1 31737200 JTLVNFVRNCDEOD-VIFPVBQESA-N 302.313 2.595 0 40 DFAB CC(C)N(C(=O)[C@H](C)OC(=O)c1cc(Cl)c[nH]1)C(C)C 32777197 PSEGTVJDVNEYME-JTQLQIEISA-N 300.786 2.859 0 40 DFAB O=C(O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 34173602 WUIQVOMIYLNNEC-INIZCTEOSA-N 313.353 2.999 0 40 DFAB O=C(NCc1ccncc1)C1CCN(Cc2ccccc2)CC1 39762028 ANCRPVACYRHFMA-UHFFFAOYSA-N 309.413 2.610 0 40 DFAB O=S1(=O)CC[C@H](Oc2ccc(OCc3ccccc3)cc2)C1 40177533 BQFJJFIBVWZLKK-KRWDZBQOSA-N 318.394 2.832 0 40 DFAB CCOC(=O)C(F)(F)[C@H](O)c1ccccc1Br 40539614 WDAILHUQUDFFSL-SECBINFHSA-N 309.106 2.681 0 40 DFAB O[C@@H](CNc1ncnc2sccc12)COc1ccccc1 42105633 QUNLDJULNAXLBS-NSHDSACASA-N 301.371 2.543 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@@H](O)C2)c(Br)c1 43328537 NXYAQXBWFSHEOS-SNVBAGLBSA-N 313.195 2.746 0 40 DFAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC1 44971340 CYJGNNIWKDWZSU-MRXNPFEDSA-N 310.401 2.724 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N1CCc2sccc2C1 48224132 CZGORAIDLIYOTM-UHFFFAOYSA-N 310.382 2.527 0 40 DFAB COc1ccc(S[C@H](C)C(=O)Nc2ncccc2O)cc1 48268749 NVZHQUQLVOXELW-SNVBAGLBSA-N 304.371 2.915 0 40 DFAB Cc1nn(C)c(C)c1-c1ccnc(NCCc2ccccn2)n1 55245035 DFPAIIXVWICITF-UHFFFAOYSA-N 308.389 2.544 0 40 DFAB CCNC(=O)C1(NC(=O)c2ccc3cc[nH]c3c2)CCCCC1 55411927 QYPRDIJUWUZOLJ-UHFFFAOYSA-N 313.401 2.737 0 40 DFAB CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCCCC2)n1 58192156 WTDWYGIBPRIACY-UHFFFAOYSA-N 324.425 2.815 0 40 DFAB CCNC(=O)Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 58192966 KYIOLQBEPBLEFC-UHFFFAOYSA-N 323.356 2.957 0 40 DFAB CCCNC(=O)[C@H](C)N1CCC(OCc2ccccc2)CC1 69386001 VNXKUNDIQPLAGA-HNNXBMFYSA-N 304.434 2.582 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)c2nc(C3CC3)no2)n1 69920662 BSOWFQLYDMQOEF-ZFWWWQNUSA-N 315.421 2.986 0 40 DFAB Cc1ccc(N2CCC[C@@H](NCc3sccc3C)C2)nn1 70018234 PCNAPRTURIPTKQ-CQSZACIVSA-N 302.447 2.914 0 40 DFAB Cn1ncc(SCc2ccccc2)c(Br)c1=O 71903084 OSFBLUMSTKHZPY-UHFFFAOYSA-N 311.204 2.835 0 40 DFAB C[C@H]1[C@@H](C)SCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 71911151 DURHAQDFGAYOAC-WDEREUQCSA-N 323.849 2.674 0 40 DFAB Cc1cc(C(=O)NCc2cccs2)nc(N2CCCCC2)n1 72241009 FBVUKUSGWGYHCP-UHFFFAOYSA-N 316.430 2.767 0 40 DFAB CCn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)OCCO2 72298362 OIPWGNWZPOBZTE-HNNXBMFYSA-N 313.401 2.841 0 40 DFAB Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ccc2nnnn2n1 75138227 YELYCXHTYXBKMN-JTQLQIEISA-N 321.171 2.926 0 40 DFAB O=C(Nc1nc2ccccc2s1)c1nnn(-c2ccccc2)n1 75163345 IYTRGIPYBNPLFS-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB Cc1noc(CCC(=O)NC[C@@H](C)Oc2ccccc2Cl)n1 76041342 ZKUQEANFQDDYMF-SNVBAGLBSA-N 323.780 2.548 0 40 DFAB CCc1c(C(=O)O[C@@H](C)c2nc(C)no2)cnn1C(C)(C)C 78986051 KFZDEDVHJBQHQG-VIFPVBQESA-N 306.366 2.810 0 40 DFAB Cc1cccc(C)c1OCCCSCCS(C)(=O)=O 79031515 CXSXXCYRAWGLHC-UHFFFAOYSA-N 302.461 2.850 0 40 DFAB C[C@H](OC(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2n1C 79211826 XHAHDAHBFRPJDM-VIFPVBQESA-N 318.764 2.878 0 40 DFAB CC(C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 79784201 AFCNVBKHLWTXKL-HNNXBMFYSA-N 323.400 2.902 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)c1ccc2c(c1)OCCO2 84640917 WVTUNNDDLGYTKE-LLVKDONJSA-N 303.383 2.880 0 40 DFAB CCN(CC)Cc1cccc(NC(=O)CCCNC(=O)OC)c1 84773476 PPGBSJWUWPXWDZ-UHFFFAOYSA-N 321.421 2.603 0 40 DFAB CC(C)[C@@H]1CN(C(=O)NCCCC(C)(C)CO)CCS1 86406877 NXPQZCVJAJUPJA-ZDUSSCGKSA-N 302.484 2.568 0 40 DFAB Cc1nc(Cc2noc(C3(c4cccc(F)c4)CCC3)n2)no1 89718462 AJZOIZWZTBFJKG-UHFFFAOYSA-N 314.320 2.961 0 40 DFAB c1cncc(-c2noc(CN3CCCOc4ccccc43)n2)c1 89865589 XGOHJKMBGZHSEK-UHFFFAOYSA-N 308.341 2.921 0 40 DFAB CCN(C(=O)CC(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O 89960920 DPSSBFOJGJBXMT-GFCCVEGCSA-N 314.307 2.593 0 40 DFAB Cc1cc(S(=O)(=O)N(C)Cc2ccc(O)cc2)sc1C 91041995 RWBQXRQLBIQTPT-UHFFFAOYSA-N 311.428 2.891 0 40 DFAB C[C@@H](CNC(=O)N1CCOCC[C@@H]1C)COCc1ccccc1 91623777 GRBFKOUHBKTNSB-HOTGVXAUSA-N 320.433 2.660 0 40 DFAB CCc1nnc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)s1 95437883 NAHBDOVBXNRMBE-GXSJLCMTSA-N 318.402 2.787 0 40 DFAB C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 95451775 FZYQSFKSGMEGGQ-NSHDSACASA-N 307.394 2.604 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](C)[C@H]2C)c1 95454896 YRHCIQBVQWIKRE-CHWSQXEVSA-N 319.405 2.922 0 40 DFAB c1ccc(CO[C@H]2CO[C@@]3(CCCN(C4CCC4)C3)C2)nc1 96107341 SAEZTOYWOMFDJP-MSOLQXFVSA-N 302.418 2.774 0 40 DFAB CC[C@@H](C)N1CC[C@]2(CCCN(c3cc(OC)ncn3)C2)C1 96216578 CHPGPRXBAVEJPL-RHSMWYFYSA-N 304.438 2.576 0 40 DFAB CCN(C)[C@H]1C=CC2(CC1)CCN(C(=O)c1ccccn1)CC2 96240283 CMOHEPPNZWWUAL-INIZCTEOSA-N 313.445 2.974 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2cc(C(C)C)on2)C2CC2)n1 97034062 PMBVNVMMHMMKIQ-AWEZNQCLSA-N 300.362 2.778 0 40 DFAB COc1ccc(C(=O)c2ccccc2C(=O)Nc2cn[nH]c2)cc1 97080361 ZMXXESYIMPRAQM-UHFFFAOYSA-N 321.336 2.902 0 40 DFAB CCc1cnccc1C(=O)O[C@H](c1cnn(C)c1)C(F)(F)F 97110470 PIBRJMHWIZLVCT-GFCCVEGCSA-N 313.279 2.838 0 40 DFAB COCc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1 97159958 SFIVCAKEOUMHHD-UHFFFAOYSA-N 322.412 2.918 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1cccnn1 97161703 IYBXFKGORATJKP-JTQLQIEISA-N 302.382 2.619 0 40 DFAB O=C(NCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl 106060494 QNFDAYCWAKPLJO-OBJOEFQTSA-N 320.820 2.622 0 40 DFAB Cc1cccc(OCCNC(=O)[C@@H](c2ccccc2)N(C)C)c1 144235649 ZSCKHTBGXFXURW-GOSISDBHSA-N 312.413 2.793 0 40 DFAB C[C@H](NCc1ccnn1C)[C@H]1CCCCN1C(=O)OC(C)(C)C 183704804 SYLQBWGYHNFEFT-DZGCQCFKSA-N 322.453 2.688 0 40 DFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CNCc1ccco1 195541488 SUJUFHXCSRMIJJ-YQQAZPJKSA-N 305.418 2.739 0 40 DFAB COc1ccc(/C=C/C(N)=O)cc1OCc1cccc(F)c1 216901100 JBLQJQZNNHRUHS-SOFGYWHQSA-N 301.317 2.912 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 219629747 XUKVLLMZTCYHIQ-HYRRULHTSA-N 309.724 2.941 0 40 DFAB COc1ccccc1/C=C/C(=O)Nc1nnc(SC)s1 223262852 UJHQPVJSXPEIFZ-BQYQJAHWSA-N 307.400 2.921 0 40 DFAB O=C(CCc1cccc(Cl)c1)Nc1cnc2ccnn2c1 225574723 XPEVTUWWIKJFEB-UHFFFAOYSA-N 300.749 2.954 0 40 DFAB Cc1ccc(CNC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225743319 LRMIUYZOAWNLIQ-UHFFFAOYSA-N 320.392 2.935 0 40 DFAB Cc1nc2ccccn2c1CC(=O)N1CCCC[C@H]1c1ccn[nH]1 257232283 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312.373 2.930 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H]1CCO[C@@H]1C 108476451 UHXCAZHCKZPLCJ-XNRPHZJLSA-N 303.402 2.656 0 40 DFAB CSCC[C@H](Nc1ncnc2sc(C)c(C)c12)C(=O)O 1820402 QENTUGHGJHLJJR-VIFPVBQESA-N 311.432 2.926 0 40 DFAB O=C1COc2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2N1 12686365 BGUOITHDMHYWIY-UHFFFAOYSA-N 322.242 2.687 0 40 DFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CCN(C)CC1 113951916 FLIQYPJKWVQBIB-MRXNPFEDSA-N 304.434 2.671 0 40 DFAB Cc1sc2nc(NCc3ccccn3)n(C)c(=O)c2c1C 58202622 RVWGFUOZASATIY-UHFFFAOYSA-N 300.387 2.619 0 40 DFAB COC(=O)c1ncn(CN2CCC[C@@H]2c2ccccc2Cl)n1 58356561 XLNJSKNFMBUWEV-CYBMUJFWSA-N 320.780 2.513 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)c1csc(NC2CC2)n1 36359169 FUGVUWKLRUSTNV-UHFFFAOYSA-N 303.343 2.698 0 40 DFAB Cc1cccc(NC(=O)CCN(CCO)Cc2ccccc2)c1 2327054 HUORUZXMEOEDSC-UHFFFAOYSA-N 312.413 2.818 0 40 DFAB O=C(NCCSC(F)(F)F)[C@@H]1COc2ccccc2C1 48326939 VWLWRBZCWIKSAI-JTQLQIEISA-N 305.321 2.607 0 40 DFAB CCCn1c(SCc2nccn2C)nnc1-c1ccncc1 59337770 ZINVPVCKNMSUJV-UHFFFAOYSA-N 314.418 2.776 0 40 DFAB CC[C@H](CNC(=O)N1CCC(OC)CC1)Oc1ccccc1C 84733616 ACJFGBITRHCCJT-OAHLLOKOSA-N 320.433 2.973 0 40 DFAB CC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 95455771 TYCWXPJWTBLXOU-AWEZNQCLSA-N 313.361 2.766 0 40 DFAB Cc1cc(C)n2nc(Sc3ncnc4sccc34)nc2n1 3440104 AVTKUMTYWQWJOZ-UHFFFAOYSA-N 314.399 2.897 0 40 DFAB O=C(NCCn1cc(Cl)cn1)c1ccc(OC(F)F)cc1 2729209 ACQXPPGBSXDNHU-UHFFFAOYSA-N 315.707 2.568 0 40 DFAB C[C@@H](CNC(=O)[C@@H](C)OCc1ccccc1)N1CCC[C@@H](C)C1 46955679 COABWNMOULKWTE-IXDOHACOSA-N 318.461 2.828 0 40 DFAB COCc1cccc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)c1 48405382 ICSDOEKOFMUDBU-CYBMUJFWSA-N 315.417 2.712 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 9051678 XMHQHNWNJMERSC-UHFFFAOYSA-N 316.313 2.623 0 40 DFAB O=C(O)CCc1ccccc1OCC(=O)NC1CCCCC1 13014200 YGPWFKXYBNYRSJ-UHFFFAOYSA-N 305.374 2.532 0 40 DFAB O=C(CCOc1ccccc1F)N1CCC[C@H](c2ccn[nH]2)C1 170671515 PMUXACNBTDMJKW-ZDUSSCGKSA-N 317.364 2.724 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2cnn(C)c2)c1 72271328 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Cc1cc(C(=O)N2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)c(C)o1 96218073 FTLQFUWYOOJLLK-BBWFWOEESA-N 319.401 2.695 0 40 DFAB CC(C)Nc1ncnc2c1c(C(=O)N1CCCC1)c1ccccn12 96264409 ICBBCXNGBSJRFD-UHFFFAOYSA-N 323.400 2.939 0 40 DFAB Cc1ccc([C@H]2CN(c3nccnc3OC(C)C)CCO2)o1 97377465 ROZAUQUAZFKZCY-CQSZACIVSA-N 303.362 2.743 0 40 DFAB CSC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 96440464 OCQBVMBRBOLTRU-CHWSQXEVSA-N 318.446 2.984 0 40 DFAB C[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nccs1 96427936 KJFBYABEFUURAE-LURJTMIESA-N 322.333 2.600 0 40 DFAB CCn1c(C)nnc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 97238520 CAQOIQAZYOSYSC-ZDUSSCGKSA-N 324.432 2.951 0 40 DFAB Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)[C@@H](C)CO1 245338802 OPDLMRNIDWKRHD-CENPHQPOSA-N 315.413 2.851 0 40 DFAB Cc1cc([C@@H]2CN(Cc3ccc(F)c(F)c3)CCO2)nc(C)n1 257248231 JCTBHLYAIFNORG-KRWDZBQOSA-N 319.355 2.945 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@@H]1c1ccnc(O)n1 257276163 NSPGLOVKGHGLJT-CYBMUJFWSA-N 303.387 2.540 0 40 DFAB Fc1cccc([C@H]2CN(c3cccnc3)[C@@H]3CCNC[C@H]23)c1F 257333110 YAEVKBVMSXCEPJ-BFYDXBDKSA-N 315.367 2.942 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)Nc2nncs2)cc1OC 43127786 HGCGHXADFHFNDT-VIFPVBQESA-N 322.390 2.828 0 40 DFAB COc1ccccc1C(=O)N1CCCN(c2nccs2)CC1 57142355 AZEDNLZPQRDTTP-UHFFFAOYSA-N 317.414 2.504 0 40 DFAB O=C(c1cn[nH]n1)N(CCc1ccc(Cl)cc1)CC1CC1 75140274 XSBNZJYEFCEADO-UHFFFAOYSA-N 304.781 2.553 0 40 DFAB COCCC1(CNC(=O)NC[C@H]2CCCS2)CCCC1 89410181 OXMYVPWPGFLHFW-CYBMUJFWSA-N 300.468 2.778 0 40 DFAB O[C@@H]1CCN(CC2(O)CCCCC2)C[C@H]1Cc1ccccc1 1615143409 GCEFWRBVKJQCCM-QZTJIDSGSA-N 303.446 2.607 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1C 12950588 XIWFRAZLFQJSSD-UKRRQHHQSA-N 318.417 2.510 0 40 DFAB COC(=O)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 4545773 FPUUTNXFSPDEMJ-RVDMUPIBSA-N 322.320 2.571 0 40 DFAB C[C@@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 6380405 LMAKRFWEGFOISG-FSEMZKDTSA-N 311.746 2.849 0 40 DFAB CNC(=O)c1cnc([C@H]2CCCCN2Cc2cccnc2)s1 1848355359 UNQUBLGBJRZATP-CYBMUJFWSA-N 316.430 2.625 0 40 DFAB O=C(Cc1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@H]1CS2 575606642 KSSTYATVZPNTPC-NWDGAFQWSA-N 301.333 2.964 0 40 DFAB Cc1cc(C)c(NC(=O)c2nc3nc(C)cc(C)n3n2)c(C)c1 3361476 FCGJDBRJAOVCEU-UHFFFAOYSA-N 309.373 2.919 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccccc1F)C2=O 4308971 GZOQQGMOMRMTNW-GTNSWQLSSA-N 318.348 2.509 0 40 DFAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccccc1O 21443996 YKNADPLOMCDTME-LBPRGKRZSA-N 308.337 2.846 0 40 DFAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2cc(C3CCC3)ncn2)C1 1888863500 GBKXUVUGMPXJFU-ZFWWWQNUSA-N 322.412 2.530 0 40 DFAB CSc1nccc(N2CC[C@@H](Oc3ccncc3C)C2)n1 1889095528 UWFPLSNGFCOYCL-GFCCVEGCSA-N 302.403 2.560 0 40 DFAB O=C(NC[C@H](c1ccco1)n1cccn1)c1cc2ccccc2[nH]1 575614224 PVMGMGZZQWTRAF-MRXNPFEDSA-N 320.352 2.977 0 40 DFAB CC(C)(C)c1ccc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)nn1 2298174714 IRAIRKJLNHAXMR-OKILXGFUSA-N 300.450 2.695 0 40 DFAB O=C(NC[C@@H]1CCCS1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 96484442 TWPLVHVMIHZSEW-FQUUOJAGSA-N 310.463 2.529 0 40 DFAB CN(CC1CCCCC1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 30791920 VMCNTIHALFGVLP-UHFFFAOYSA-N 314.385 2.565 0 40 DFAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccncc1 31207043 ZSDHUFQBPBANBZ-NSHDSACASA-N 302.378 2.572 0 40 DFAB Cc1nn(C)c(C)c1C(=O)NCCSCc1ccccc1 40489395 LCZGJQFEFJJFSI-UHFFFAOYSA-N 303.431 2.700 0 40 DFAB CN(CC(=O)NC1CC1)C(=O)c1ccc(Oc2ccccc2)cc1 40463329 PURGZZJXBJTBPA-UHFFFAOYSA-N 324.380 2.830 0 40 DFAB O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cl 31548115 LAQHHODVBNMLEB-UHFFFAOYSA-N 308.809 2.653 0 40 DFAB Cc1nc2n(n1)[C@@H](c1ccccc1)[C@@H](O)C(c1ccccc1)=N2 101353651 CARYQAHUZJELOF-IRXDYDNUSA-N 304.353 2.671 0 40 DFAB CCCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1 32654910 BBBGGNDVFBVWSD-UHFFFAOYSA-N 300.406 2.877 0 40 DFAB COc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC 344038 UGNGHBMXNUTKIO-UHFFFAOYSA-N 319.401 2.911 0 40 DFAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)c1ccccc1 32833816 SWBYRDONHXVQSC-UHFFFAOYSA-N 323.370 2.508 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 32824055 RXVYJAUDNGLIFY-UHFFFAOYSA-N 307.415 2.985 0 40 DFAB COC(=O)c1cnn2c1N=C1CCCC(O)=C1[C@@H]2c1cccnc1 102835262 XTFXGLGWGGVNHO-HNNXBMFYSA-N 324.340 2.736 0 40 DFAB COc1cc2c(cc1OC)[C@@H]1CCC3=C([C@@H](C)OC3=O)N1CC2 526464 BTYBADZGKGWDHC-YGRLFVJLSA-N 315.369 2.596 0 40 DFAB biogenic CC(=O)Nc1ccc(NC(=O)c2cnccn2)c(C(F)(F)F)c1 22311721 SURRBCKWQFBJOU-UHFFFAOYSA-N 324.262 2.706 0 40 DFAB O=C(CNC(=O)OCc1ccccc1)NC1CCCCCC1 302569 GTEINJKJBRMQNX-UHFFFAOYSA-N 304.390 2.752 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 105659768 WRHXZMCZFCSTGI-NTZNESFSSA-N 302.374 2.572 0 40 DFAB CCOC(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12 6547276 HYSSXVCNQVALLH-UHFFFAOYSA-N 316.386 2.778 0 40 DFAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)n2ncnc2N1 6593554 BYBJFHNWFFXLMT-HNNXBMFYSA-N 312.373 2.910 0 40 DFAB COc1cc(OC)cc(C(=O)N[C@H](C)[C@H](O)c2ccccc2)c1 6852944 GFZRNTDTHBILBC-PXAZEXFGSA-N 315.369 2.556 0 40 DFAB COc1cc(CNC[C@@H](C)O)ccc1OCCc1ccccc1 7540082 OSYHTNRIWNJNRR-OAHLLOKOSA-N 315.413 2.787 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2C=O)CC1=O 7929306 ZMAVZVNVYPXIAD-HNNXBMFYSA-N 323.348 2.766 0 40 DFAB NC(=O)COc1ccccc1C(=O)Nc1ccc(Cl)cc1F 24511467 PMIULAVQPVGEIY-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2ccc(NC3CC3)nc2)c1 57192043 HETVIFDSSJCBGI-UHFFFAOYSA-N 324.384 2.658 0 40 DFAB CSc1ccc(COC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100939090 UYRUDUWLPYMHLW-JURCDPSOSA-N 318.394 2.975 0 40 DFAB O=C(/C=C/c1ccccc1)OCC(=O)N1CCc2ccccc21 3237431 WIWFEQKUAWFCTL-ZHACJKMWSA-N 307.349 2.832 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCN(c3nccs3)CC2)c1 10269889 XNQRDGNYRRJRKH-UHFFFAOYSA-N 301.415 2.722 0 40 DFAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102971677 APMSSFKHMBFNQG-MWQQHZPXSA-N 317.502 2.942 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nnc(-c2cccc(OC)c2)n1C 58231828 PZCYPRHEYJEQET-SNVBAGLBSA-N 321.402 2.534 0 40 DFAB O=c1cc(CNc2ccc(OC(F)F)cc2)nc2sccn12 29397207 LGNUGBXNXZOPJF-UHFFFAOYSA-N 323.324 2.970 0 40 DFAB CCN(CC)c1ccc(NC(=O)C[C@](C)(O)C(F)(F)F)cn1 58325904 UETLCKYXMQTCBW-ZDUSSCGKSA-N 319.327 2.570 0 40 DFAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCCO1 27906588 PZCDIQCKUZIJTD-BONVTDFDSA-N 303.337 2.513 0 40 DFAB O=C(c1ccc2nncn2c1)N1CCCc2c(F)cc(F)cc21 58440192 MRWQTXUWXZIUGU-UHFFFAOYSA-N 314.295 2.601 0 40 DFAB Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1C 10372057 UGSWQWUVKPNKGP-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB O=C(O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 110074956 AFGQJGVOVLQFPT-UHFFFAOYSA-N 304.309 2.885 0 40 DFAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCCCCC1 29462625 OHDYYFMYKFYSLC-AYJWMTRPSA-N 300.402 2.607 0 40 DFAB CC(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2ccco2)C1 60101665 ADRKNQJHINIHNV-INIZCTEOSA-N 311.341 2.936 0 40 DFAB CC(C)n1nnnc1S[C@H](C)c1nc(-c2ccco2)no1 29740262 ICHGLHVIDDOVDN-MRVPVSSYSA-N 306.351 2.750 0 40 DFAB CCn1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)n1 2768866 NWFAWWXLMRWDKX-UHFFFAOYSA-N 313.336 2.539 0 40 DFAB CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C)s2)c1 3450629 HZTFFUOXHLKNLE-UHFFFAOYSA-N 316.382 2.628 0 40 DFAB CCCN(CC(=O)O)C(=O)c1ccc(F)cc1Br 38019482 QIYVRNGXVMWNER-UHFFFAOYSA-N 318.142 2.525 0 40 DFAB CC1CCN(S(=O)(=O)N2CCc3sccc3[C@@H]2C)CC1 12922953 ZQAWVXVSEBFEAN-LBPRGKRZSA-N 314.476 2.644 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1 13007053 DHSCTDXDQXQSCV-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(F)c1)C2=O 9053717 DHEPMENINCIZFY-APPDUMDISA-N 318.348 2.509 0 40 DFAB O=C(CCc1ccsc1)NC[C@H]1COC2(CCCCC2)O1 49504189 YYXWTIHJRZVPOI-AWEZNQCLSA-N 309.431 2.873 0 40 DFAB COC(=O)c1ccc(CSc2nnc3n2CCCCC3)o1 6097703 WSZXLCVNAAKILX-UHFFFAOYSA-N 307.375 2.676 0 40 DFAB C[C@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CCO1 39539204 GNLPEQJZDJCHML-LBPRGKRZSA-N 318.348 2.661 0 40 DFAB C[C@@H](NC(=O)CCc1cccs1)c1nnc2n1CCCCC2 65443596 JKUDUPALBFBENI-GFCCVEGCSA-N 318.446 2.876 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(O)cc1)N1CCC1=O 4588163 BQYTUAUUTBPQGA-SFHVURJKSA-N 324.380 2.921 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2nccs2)c1 71866017 YFFBOVLPIZQWKL-CQSZACIVSA-N 318.446 2.662 0 40 DFAB COCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 6735526 ZGDYKOMRKPSEPI-UHFFFAOYSA-N 313.379 2.554 0 40 DFAB COc1ccc(CNCCCSc2ncccn2)c(OC)c1 4984137 KTTILJQOHFSMCH-UHFFFAOYSA-N 319.430 2.766 0 40 DFAB CCC1(CO)CCN(Cc2c(C)nc3sc(C)cn23)CC1 93592367 QWICJEBBJUXOSI-UHFFFAOYSA-N 307.463 2.997 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(C(F)(F)F)n1 71854111 WVZOZYOMGMYZJG-UHFFFAOYSA-N 312.295 2.632 0 40 DFAB Cc1[nH]c(C(=O)NCc2cccnc2)c(C)c1C(=O)OC(C)C 9364492 FNUYCRGAEUGWFO-UHFFFAOYSA-N 315.373 2.522 0 40 DFAB COc1ccc(CC(=O)N[C@@H](C)c2ccncc2)c(OC)c1 7185038 ODFHMTXFEBNFKA-LBPRGKRZSA-N 300.358 2.519 0 40 DFAB CN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccc(C(F)(F)F)cc1 68593303 FPUNJBIWQDUYRP-JQWIXIFHSA-N 301.264 2.700 0 40 DFAB in-vitro COc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1 7863386 KHEGTYQIDMYAON-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB CCCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9450089 ICRCSWMNUQNFBV-UHFFFAOYSA-N 305.403 2.872 0 40 DFAB C[C@@H]1C[C@@H](Sc2nc(C3CC3)n(-c3ccccc3)n2)C(=O)O1 8230466 VTAADRHYAMLIIS-ZWNOBZJWSA-N 315.398 2.941 0 40 DFAB O=C(Nc1ccn(CC(F)F)n1)[C@H]1CCOc2ccccc21 96451796 WQXQQGHAKZJQOI-NSHDSACASA-N 307.300 2.653 0 40 DFAB CC(C)c1nc(CCNC(=O)C(=O)Nc2ccccc2)cs1 69559888 QVXXMVRLXZZWBW-UHFFFAOYSA-N 317.414 2.564 0 40 DFAB COCCN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O 409124769 BRMKGGHZJXGBAA-YRNVUSSQSA-N 313.762 2.728 0 40 DFAB COCCOc1ccc(CN2CC[C@H]3[C@H](CCCN3C)C2)cc1 92043587 YRWGLXCCXODRIQ-MJGOQNOKSA-N 318.461 2.628 0 40 DFAB COCc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 69813945 JKBBQSFYXVMNRS-UHFFFAOYSA-N 324.380 2.994 0 40 DFAB Cc1ccc(NC(=O)N(C)Cc2nnc3n2CCC3)cc1Cl 8704813 DDIKNKXSJQXHHG-UHFFFAOYSA-N 319.796 2.850 0 40 DFAB COC(=O)c1cnc(OCC(F)(F)F)c(Br)c1 113837986 CMLMZYWFGJUBLU-UHFFFAOYSA-N 314.057 2.572 0 40 DFAB Cc1nc([C@@H](C)NC(=O)Cc2ccc(F)cc2)sc1C(=O)O 97050143 QYKHOSFNRAUMEF-SECBINFHSA-N 322.361 2.709 0 40 DFAB O=C(CCOc1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 72283069 HOCXIPNDIMXQIQ-CYBMUJFWSA-N 317.364 2.724 0 40 DFAB O=C(C/C=C/c1cccc(F)c1)NC[C@H](O)Cc1ccccc1 95417044 YDQBQYGBAUTASG-QKYXPGDISA-N 313.372 2.949 0 40 DFAB Cc1cn2c(n1)[C@@H](CNCc1cccc3c1OCCO3)CCC2 84257808 HLFUCNAPZJPLCG-OAHLLOKOSA-N 313.401 2.630 0 40 DFAB COc1ccc(NC(=O)N(C)CCc2nccs2)c(C)n1 95435485 OOCGIGPVOCKMJT-UHFFFAOYSA-N 306.391 2.562 0 40 DFAB O=C(CCc1cc2ccccc2o1)N[C@H]1CCc2nccn2C1 97197663 GFRQPKOUTHIHGJ-AWEZNQCLSA-N 309.369 2.693 0 40 DFAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(CC)CC1 22030756 LFJDZSWKYXYRJY-SJORKVTESA-N 320.477 2.577 0 40 DFAB CC(C)OCCCNC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C 75107611 AXJUHJQZDWJYFU-WMZOPIPTSA-N 318.461 2.796 0 40 DFAB O=C([C@@H]1CCCOC1)N1CCn2cccc2[C@H]1c1ccccc1 89828144 AIGXVNZXPMRWCW-SJLPKXTDSA-N 310.397 2.846 0 40 DFAB CCCCS(=O)(=O)NCc1c(C)nn(-c2ccccc2)c1C 27926033 KLVCDJPMJXTFBR-UHFFFAOYSA-N 321.446 2.709 0 40 DFAB COc1ccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 22027876 PVRKIXNUSRYKBV-UHFFFAOYSA-N 324.424 2.674 0 40 DFAB O=S1(=O)c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 306136270 POJQZIQUVIWQTO-ZFWWWQNUSA-N 305.424 2.503 0 40 DFAB Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c(C)c1C 35170689 RYNAWDREHUUCHC-TXEJJXNPSA-N 311.447 2.718 0 40 DFAB CCc1c(C(=O)N2CCCC2)nnn1-c1cccc(Cl)c1 67123620 JZADUWDQHVOXLQ-UHFFFAOYSA-N 304.781 2.719 0 40 DFAB Cc1cc(C)nc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1 72202978 GEVFFCGENXYYRG-UHFFFAOYSA-N 307.394 2.872 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1 78403974 YWJBOXVCFJVDSN-LLVKDONJSA-N 318.398 2.853 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc3ncnn23)c(C)c1 36618955 VFACCMLWMPGYMQ-CYBMUJFWSA-N 309.373 2.541 0 40 DFAB COCCCNC(=O)C1CCN([C@H](C)c2cccc(C)c2)CC1 75644431 ISSWJNHBBBUXQI-MRXNPFEDSA-N 318.461 2.921 0 40 DFAB Cc1cc(C(=O)NCc2ccco2)nc(N2CCCCCC2)n1 72241483 VWLAOMPLPKNRHX-UHFFFAOYSA-N 314.389 2.688 0 40 DFAB C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1 132544187 YCCAUYXQAWDNDC-DGCLKSJQSA-N 310.463 2.689 0 40 DFAB Cc1ccn(-c2ccc(Nc3ncnc4[nH]c(C)nc34)cc2)n1 41121247 ZXMLNRJWKAWPDI-UHFFFAOYSA-N 305.345 2.899 0 40 DFAB C[C@@H]1COCC[C@@H]1c1noc(-c2ncc3c(F)cccn23)n1 528189465 GXQLMPWWHOQZNW-ZJUUUORDSA-N 302.309 2.663 0 40 DFAB COc1cccc(CNC(=S)Nc2ncccc2OC)c1 225835218 OXUWWVONMVSMQD-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(F)c(F)c(F)c1)c1ccsc1 80892421 MTAWPHXLGOIIIW-CQSZACIVSA-N 315.316 2.803 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C)CC1 221915443 ODCQRZUYFQXKIT-AEIXLSSFSA-N 324.490 2.893 0 40 DFAB CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)ncn2)n1 195579877 VXAXWDISFPIDFP-LBPRGKRZSA-N 318.402 2.760 0 40 DFAB CN(Cc1ccc(Br)cc1)C(=O)c1cnccn1 23490863 UKBVXUYCJHXWED-UHFFFAOYSA-N 306.163 2.511 0 40 DFAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C 225573493 ZLAJKQUWSPYBBE-GFCCVEGCSA-N 310.825 2.992 0 40 DFAB O=C(c1cccs1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042078 VBZAEFMTGJFFSX-KCQAQPDRSA-N 307.415 2.547 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3ccncc3)C2)cc1 96192824 YALSAUMDPWOETJ-KRWDZBQOSA-N 311.341 2.612 0 40 DFAB COc1cccc([C@H](O)C(=O)N(C)[C@@H](C)Cc2cccs2)c1 96487103 DNFYFXFFIDOKMV-LRDDRELGSA-N 319.426 2.880 0 40 DFAB CO[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1 96428725 MMZGMHNBSMMMMD-INIZCTEOSA-N 323.389 2.633 0 40 DFAB O=C(c1ccoc1)N1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 96076093 BNTKORYQCGNKKS-GOSISDBHSA-N 314.360 2.909 0 40 DFAB CCNC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 583652259 STIDEMWXIRIKAI-GFCCVEGCSA-N 308.332 2.881 0 40 DFAB COCc1ccccc1NCC(=O)Nc1ccc(Cl)cn1 96452707 IUNXWUYMADHQIM-UHFFFAOYSA-N 305.765 2.932 0 40 DFAB COCCC(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 96411037 BBOSKHZYWWKEQS-LBPRGKRZSA-N 305.296 2.546 0 40 DFAB COC(=O)c1cc(C)ccc1OCc1nnc(C)n1C1CC1 91596933 KHWDKHPMOCPFHK-UHFFFAOYSA-N 301.346 2.595 0 40 DFAB NC(=O)N1CCC[C@@H]1COC(=O)c1cc2ccccc2s1 96442154 NXJWVZSNPQVFJE-LLVKDONJSA-N 304.371 2.601 0 40 DFAB CC[C@H](CNC(=O)N1CCC[C@@H](CO)C1)Oc1ccccc1C 96455250 UKAVVJHRHWJLHM-HZPDHXFCSA-N 320.433 2.566 0 40 DFAB COc1ccc(C[C@H](C)N[C@H]2CCCC[C@H]2CO)cc1OC 245316908 LFESKTRHUIYSTA-BPUTZDHNSA-N 307.434 2.776 0 40 DFAB O=C(O)c1cc(/C=C/c2cccc(C(=O)O)c2Cl)ncn1 526051922 HFUAYWXTDYSZAY-SNAWJCMRSA-N 304.689 2.697 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(c3ccccn3)C2)n1 257232304 GKHILOLFJFJULQ-CYBMUJFWSA-N 306.373 2.564 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@H]2c2cccc3nc(C)cn23)cn1 257225880 FIFNJMHYSAOCPA-HNNXBMFYSA-N 321.384 2.718 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1 257272235 NBOUMWCDMLIXOR-CQSZACIVSA-N 321.384 2.599 0 40 DFAB CCCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 257203753 ARMQUYWNOOMHIR-MRXNPFEDSA-N 314.429 2.996 0 40 DFAB CNC(=O)c1cnc([C@@H]2CCCCN2Cc2cncs2)s1 257231856 GIKRNHOPAZGLAU-NSHDSACASA-N 322.459 2.686 0 40 DFAB CC(=O)Nc1ccc(CN2CCO[C@@H](c3ccccn3)C2)cc1 257307272 SXYUKAYFHORKHL-GOSISDBHSA-N 311.385 2.614 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)on1 257257019 KNTYCSZYLGRVFC-RDJZCZTQSA-N 305.422 2.887 0 40 DFAB c1cc2c(C[C@@H]3CCCN(Cc4c[nH]cn4)CC3)nccn2c1 257249306 JHPOCFVXQZLPCR-OAHLLOKOSA-N 309.417 2.902 0 40 DFAB O=C(O)c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)n1 262050439 BSWBLYADRQNJCZ-UHFFFAOYSA-N 316.279 2.584 0 40 DFAB CN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575419526 CCAMNBGGXRBWSP-QGZVFWFLSA-N 315.438 2.895 0 40 DFAB COC[C@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc12 585096955 FYACPFNCJGXJMF-OAHLLOKOSA-N 310.401 2.785 0 40 DFAB COc1ccc2c(OCc3ccc(C(N)=O)cc3)ccnc2c1 72296222 ABDSXGWNEMYZKA-UHFFFAOYSA-N 308.337 2.921 0 40 DFAB COc1ccc([C@H](NC(=O)N2CCO[C@@H](C)C2)C2CC2)cc1 45316698 SZIZOVPXELNENE-BLLLJJGKSA-N 304.390 2.577 0 40 DFAB O=C(OCc1ccc(Cl)s1)c1cc2c([nH]c1=O)CCC2 61447687 SNDQGPJMOPQADV-UHFFFAOYSA-N 309.774 2.936 0 40 DFAB CC(=O)O[C@H]1C(=O)c2c(C)nn(-c3ccccc3)c2CC1(C)C 5537829 VHXXIUBCAVQXDJ-KRWDZBQOSA-N 312.369 2.877 0 40 DFAB COc1ccc(CC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12441486 XGMQWKHFJJZONQ-SFHVURJKSA-N 311.381 2.838 0 40 DFAB CCOc1ccc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc1OC 13547737 OOXLPPQCFOWOJH-TXEJJXNPSA-N 309.431 2.879 0 40 DFAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 14483453 YNKFXYKPYYJOJJ-LBPRGKRZSA-N 313.353 2.844 0 40 DFAB CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C)C2)cc1 16739468 XHMQPFJPUWCIMQ-GDBMZVCRSA-N 305.418 2.751 0 40 DFAB Cn1cc(CC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)cn1 519541406 NALUOIKAXMCDJB-SFHVURJKSA-N 315.392 2.726 0 40 DFAB CO[C@@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1ccc(F)cc1 643913748 FOYXBZTVNBSXJO-SJLPKXTDSA-N 317.408 2.639 0 40 DFAB CNC(=O)c1ccc(NC(=O)Cc2ccc(C)c(OC)c2)cc1 10447565 PURUEQKXDFBGKQ-UHFFFAOYSA-N 312.369 2.544 0 40 DFAB O=C(O)c1ccccc1SCc1cc(=O)n2ccsc2n1 20858762 COSCDUQJUVEQGP-UHFFFAOYSA-N 318.379 2.747 0 40 DFAB O=C(c1ncccn1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 2037846003 KQWCHDDDZPJDGB-AWEZNQCLSA-N 318.380 2.730 0 40 DFAB Cc1ccc(N2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)cc1 12416157 STLVDWJBJOZQGF-CYBMUJFWSA-N 320.352 2.961 0 40 DFAB C[C@@H](c1ccccc1)N1CCC[C@@H](N(C)S(=O)(=O)C2CC2)C1 2086889482 HTNITCJJTQLIRU-GOEBONIOSA-N 322.474 2.636 0 40 DFAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1 299893 SQRURBYBWMWNNS-INIZCTEOSA-N 301.729 2.753 0 40 DFAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1C 50041261 QVPOPESXWYRVFV-UHFFFAOYSA-N 308.337 2.782 0 40 DFAB CCOC(=O)c1sc2ncnc(Nc3cn[nH]c3)c2c1C 30587662 VTJJGCLFJXJSSJ-UHFFFAOYSA-N 303.347 2.643 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)CCNC(=O)c1ccco1 40457552 TYTQDXVBOGLRBX-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB COc1ccc2c(c1)NC(=O)[C@H]2OC(=O)Cc1ccccc1C 101254535 PLUFWJNKQXIKIR-KRWDZBQOSA-N 311.337 2.783 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1nc(C)c(C)s1)c1ccccc1 21359845 RWKOXVZFVKJLDD-AWEZNQCLSA-N 317.414 2.966 0 40 DFAB O=C(Cn1ccccc1=O)N[C@@H](c1cccs1)C1CCCC1 32924360 GTCPRGQPSVGQMZ-QGZVFWFLSA-N 316.426 2.958 0 40 DFAB COc1ccc2[nH]cc(C(=O)CN3CCCC[C@@H]3CCO)c2c1 485923 MQSSOANFWQBVFB-CYBMUJFWSA-N 316.401 2.596 0 40 DFAB biogenic c1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1 540363 LOZLCYKNQREUGG-UHFFFAOYSA-N 302.297 2.723 0 40 DFAB aggregator COc1ccc(CN(C)C(=O)c2cc(OC)cc(OC)c2)cc1 7871795 VAPDHBUYZSZDMA-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccccc2)CC1=O 7882119 IBXAYXMSDLJUEV-MAUKXSAKSA-N 322.408 2.913 0 40 DFAB Cn1ccc(CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 95979461 GJOKNBUUDBNFHU-ZDUSSCGKSA-N 313.184 2.682 0 40 DFAB COCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1 106661426 UXDJITOLFLYQJH-DLBZAZTESA-N 302.418 2.532 0 40 DFAB CC(C)CCN1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106750032 OUSPIHFYOWQCLJ-HRCADAONSA-N 309.523 2.713 0 40 DFAB O=c1nc2c3ccccc3nc(SCc3ccccc3)n2[nH]1 8215809 YRWTZYQTGJCLNW-UHFFFAOYSA-N 308.366 2.863 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(Cl)cc1 8268646 ACSDIQUQWWAVGW-SMDDNHRTSA-N 308.809 2.651 0 40 DFAB O=C(NCCc1ccccc1)c1ccc(C(F)(F)F)nc1O 48275802 QAGNUEHCFGMNSA-UHFFFAOYSA-N 310.275 2.779 0 40 DFAB CN1CCC2(CC1)C(=O)N(c1cccnc1)c1ccc(F)cc12 105050128 ALPQKDBWYCOBJP-UHFFFAOYSA-N 311.360 2.862 0 40 DFAB O=C(C[C@@H]1CCCO1)Nc1ccccc1NC(=O)N1CCCC1 58226534 LCKZSDYRCJHPSX-ZDUSSCGKSA-N 317.389 2.822 0 40 DFAB CS[C@H](C)C(=O)NCCc1ccccc1Br 58264565 BUOQYTXQMLBNOD-SECBINFHSA-N 302.237 2.859 0 40 DFAB COc1ccccc1C[C@H]1CCCN1C(=O)c1cnc(C)cn1 58227667 FZLBCHWIFYELLU-OAHLLOKOSA-N 311.385 2.641 0 40 DFAB CN(C)[C@H](CNC(=S)NCc1ccccc1)c1ccco1 3331093 WITDFTOYIIDHGW-CQSZACIVSA-N 303.431 2.547 0 40 DFAB c1cnc(N2CCC[C@@H](Nc3cnc4ccccc4n3)C2)nc1 44976684 FODYGYTZTOHKGN-CYBMUJFWSA-N 306.373 2.501 0 40 DFAB Cc1ccc2c(c1)S[C@H](C(=O)N(C)Cc1cc(C)on1)C2 44916559 WPMBYTDLQKOJNK-HNNXBMFYSA-N 302.399 2.967 0 40 DFAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 27880430 NOLCKIFXVIYSAH-WDEREUQCSA-N 302.296 2.941 0 40 DFAB CCc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1 3386934 NFXBNABZCQARLT-UHFFFAOYSA-N 311.337 2.857 0 40 DFAB CCN1CCN(c2ccc(CN[C@@H](C)c3ccco3)cn2)CC1 95420403 BOCXOEINXZCDTP-HNNXBMFYSA-N 314.433 2.667 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)s2)cc1 3384533 BIZPDIDRDJBEFU-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB Cc1ccccc1OCCNS(=O)(=O)Cc1ccc(F)cc1 56139308 QBRXTJZCYZBAKB-UHFFFAOYSA-N 323.389 2.633 0 40 DFAB CC[C@@H](NC(=O)N1c2ccccc2C[C@@H]1C)c1noc(C)n1 95963099 ZUHZBNHMLSEBST-GXFFZTMASA-N 300.362 2.990 0 40 DFAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@@H]1C[C@H]1c1ccccc1 95444868 NHCVQMYHATUTQG-ZWKOTPCHSA-N 318.380 2.895 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 3560242 YOWLCFYLPASUQE-UHFFFAOYSA-N 301.317 2.569 0 40 DFAB Cc1cccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)c1 20767608 JIXMCBOMONMRTC-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)C[C@@H](C)O1 27975380 ORVKBLKAMMVBLP-HZSPNIEDSA-N 303.402 2.578 0 40 DFAB CNC(=O)c1ccc(CN2CC[C@@H](OCCC(C)C)C2)cc1 83247876 IZVSYGOIIOKBDQ-QGZVFWFLSA-N 304.434 2.683 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)C1 5210373 QSMRQSLQXVQAGY-GFCCVEGCSA-N 316.430 2.822 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1c1ncnc2c1cnn2C 65410933 OIJKNLZRKUHPFJ-AWEZNQCLSA-N 323.400 2.583 0 40 DFAB NC(=O)[C@@H](NCc1cccc(OCC(F)F)c1)c1ccccc1 65575721 LTRABASAMIUOSZ-INIZCTEOSA-N 320.339 2.647 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 5323340 YBSWVQLFCORSBZ-ZDUSSCGKSA-N 300.358 2.583 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cncn2-c2ccccc2)cc1 9318891 KZWYSUNGPZAVOR-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CCCN[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 20064550 JLNFIZZMAILOPN-NSHDSACASA-N 301.173 2.625 0 40 DFAB Cc1noc(-c2ccnc(NCCN3CCC[C@H](C)C3)c2)n1 95407769 LDIGDAUITHRESI-LBPRGKRZSA-N 301.394 2.584 0 40 DFAB Brc1cnc(NCCc2cn3ccccc3n2)nc1 67348912 CIHPDPDJHWIYQH-UHFFFAOYSA-N 318.178 2.541 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)N(C1=CCCCC1)C1CC1 7426208 FQEMBRMTPGQEQL-UHFFFAOYSA-N 323.400 2.789 0 40 DFAB NC(=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 7690255 MPIDWTYLLVEODS-UHFFFAOYSA-N 320.142 2.767 0 40 DFAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)o1 71793000 JMDXFTQXARGKMQ-VAIBOMDZSA-N 316.401 2.530 0 40 DFAB CCCC[C@@H](C(N)=O)N1CCC(OCc2ccccc2)CC1 68966649 JTYHGNFCKPWNNL-KRWDZBQOSA-N 304.434 2.712 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)NC(=S)N1 16713883 REMCFRHHLAYXBJ-CQSZACIVSA-N 304.415 2.739 0 40 DFAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NC3CC3)cc2c1C 9551994 YPROIDVNYMKTDG-NSHDSACASA-N 300.358 2.609 0 40 DFAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCOC1 69354434 WXFWGXFXXRXQQY-LLVKDONJSA-N 302.305 2.988 0 40 DFAB C[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC(C)(C)O1 69484494 DRDFFBLJJBGDMG-ZDUSSCGKSA-N 321.442 2.628 0 40 DFAB CN(C)c1ccc(NC(=O)[C@H]2CSc3ccccc3O2)nc1 83854388 UNYNCWLOSCPMSJ-CYBMUJFWSA-N 315.398 2.639 0 40 DFAB COC(=O)c1cc(Cn2ccnc2-c2cnccn2)c(C)s1 84028534 IYFFRNWQAQVUTP-UHFFFAOYSA-N 314.370 2.545 0 40 DFAB CC[C@H](C(=O)N1CCC(c2ccccc2)CC1)N1CCCC1=O 72296004 GMFBWXDVIWKYGY-QGZVFWFLSA-N 314.429 2.794 0 40 DFAB COc1cccc(CN(C)C(=O)[C@H](C)Oc2cccnc2)c1 72287243 KCJJPSFCMLHHNZ-ZDUSSCGKSA-N 300.358 2.516 0 40 DFAB O=C(NCc1cccc(CO)c1)Nc1cnn(-c2ccccc2)c1 72295097 LDNPXUPZUPUTQD-UHFFFAOYSA-N 322.368 2.686 0 40 DFAB CCOCCSc1nc2ccccc2c(=O)n1[C@@H](C)COC 95946926 BSVZFIFPEJRWTI-LBPRGKRZSA-N 322.430 2.733 0 40 DFAB CCOc1ccc(NC(=O)NC[C@H](C)c2nccs2)cn1 97113360 LTUIAODEVOBOFT-JTQLQIEISA-N 306.391 2.862 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(CCN2CCCCC2)CC1 97142291 QZVYKPAQAZEVJE-INIZCTEOSA-N 307.507 2.913 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)CC[C@@H](C)O 97162056 HYBXUDHRGKQFOW-UKRRQHHQSA-N 320.433 2.527 0 40 DFAB CNC(=O)c1ccc(CNCc2coc(-c3ccccc3)n2)cc1 89391877 VOTNWUNCRVUFHD-UHFFFAOYSA-N 321.380 2.991 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccn1C 75602277 RVENYTRVEDXTOC-LLVKDONJSA-N 306.797 2.698 0 40 DFAB O=C(NC[C@@H]1CCC[C@@H]1O)C1(c2cccc(F)c2)CCCC1 76060529 LBLRVZBLRFHFII-BBRMVZONSA-N 305.393 2.915 0 40 DFAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccsc1 76083511 JXCOUDUSBPSGMB-INIZCTEOSA-N 316.426 2.978 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)c1 1548448117 MEKFYFFMXUTPAF-UHFFFAOYSA-N 312.295 2.757 0 40 DFAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1 22628834 LMUNSWWMQNNZLD-MRXNPFEDSA-N 307.353 2.777 0 40 DFAB C[C@@H](CNC(=O)C(=O)NCCC1CCCCC1)c1ccccc1 408707329 NCOIQFPVZVUWSR-HNNXBMFYSA-N 316.445 2.993 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[C@@]21COCCN1 306145305 AZRRTMMTPAOFIL-QGZVFWFLSA-N 320.389 2.631 0 40 DFAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CNCCO1 43710158 DCNYDNDQHQWZBG-RNCFNFMXSA-N 317.216 2.501 0 40 DFAB CCC(CC)n1ncc(C(=O)NCc2cnnc(C)c2C)c1C 521394423 LOZPFIGDWUZFDU-UHFFFAOYSA-N 315.421 2.889 0 40 DFAB Cc1cc(S(=O)(=O)n2nnc3ccccc32)c(C)c(C)c1C 36636389 CGFIKZWDMQREFA-UHFFFAOYSA-N 315.398 2.902 0 40 DFAB CCS[C@@H]1CC[C@H](NC(=O)NC[C@H](O)c2cccs2)C1 76475585 IZOHEXZYKGSMPR-TUAOUCFPSA-N 314.476 2.755 0 40 DFAB Cc1nc(NC(=O)Cn2sc3ccccc3c2=O)sc1C 36353828 CXFIGSYVYYSUKY-UHFFFAOYSA-N 319.411 2.775 0 40 DFAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1 36700002 QSOVSHPMTITGAB-IBGZPJMESA-N 324.424 2.880 0 40 DFAB COCCN(C)C(=O)c1sc(C)c(Br)c1OC 79675939 HLGXLWWACUPNIR-UHFFFAOYSA-N 322.224 2.546 0 40 DFAB COC(=O)c1nc(NC(=O)c2ccccn2)sc1C(C)C 72401714 MLHARCNOPQYHTF-UHFFFAOYSA-N 305.359 2.700 0 40 DFAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(C(F)F)c1)C2 566689839 UFZDXCLTRIBYEH-JIMOISOXSA-N 309.312 2.950 0 40 DFAB CCCCc1noc([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 40714765 IRXVMEOJZRHSLR-GFCCVEGCSA-N 318.377 2.728 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Nc1ccccn1 69700228 QGBWLWAXBDVLTI-LBPRGKRZSA-N 320.393 2.603 0 40 DFAB Cc1cnc(NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)s1 226751700 XAYHCPFRDWMFMP-KGLIPLIRSA-N 301.415 2.735 0 40 DFAB CC(C)n1ccc(CCNC(=O)N2CCSC(C)(C)C2)n1 83733915 FCLLTKNYSSWANF-UHFFFAOYSA-N 310.467 2.544 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@H](CO)[C@H](C(F)(F)F)C1 199562814 HDIAFCPGZDGNRK-CHWSQXEVSA-N 317.307 2.816 0 40 DFAB O=C(Nc1nc2c(s1)CCCCC2)c1n[nH]c2c1CCC2 95472829 QYPHGUMMJBFODK-UHFFFAOYSA-N 302.403 2.876 0 40 DFAB COc1ccc(CC2(N)CCN(C(=O)OC(C)(C)C)CC2)cc1 96029434 TYRGSTRYYLDUME-UHFFFAOYSA-N 320.433 2.966 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1cc(C(C)(C)C)on1 96448175 WCMKZGOEZGEOPY-UHFFFAOYSA-N 310.375 2.782 0 40 DFAB Fc1ncc(Br)cc1I 90411309 AVDATZWZGDTYDM-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96404724 NCZOOMYFOSQXHC-RBSFLKMASA-N 320.820 2.571 0 40 DFAB Cc1ccc(CNC(=O)C2CCC(O)CC2)c(OC(C)C)c1 331017938 VXIVFUIKJJPCEH-UHFFFAOYSA-N 305.418 2.950 0 40 DFAB C[C@@H]1CCOCCN1C(=O)NCCCCN(C)c1ccccc1 91623436 LIRIRRWPPGJNQN-MRXNPFEDSA-N 319.449 2.723 0 40 DFAB CN(Cc1cccnc1)[C@H]1COC2(CCN(CC3CC3)CC2)C1 96047992 FRPSPZADSIBYBL-GOSISDBHSA-N 315.461 2.547 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2cnc(-c3cc[nH]n3)cn2)CC1 257326610 WXWKLLRCHSRKJN-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB CCC(=O)N1CCC[C@](C)(c2cn3cccc3c(NC)n2)C1 257242705 IDTLTMUBEMNIEL-KRWDZBQOSA-N 300.406 2.666 0 40 DFAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCN(C)C2)n1 257339475 ZBWHTWLROUJXRC-OAHLLOKOSA-N 311.385 2.959 0 40 DFAB COc1ccc([C@@H]2CN(C(=O)c3ccsc3)CCN2C)cc1 257278571 OCUKFUHTTUPXBA-INIZCTEOSA-N 316.426 2.886 0 40 DFAB O=C(CCc1ccsc1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263167792 YMTUCSOTBOSLSP-GFCCVEGCSA-N 321.320 2.546 0 40 DFAB CC[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C)C1 282618617 ZOLOQVOJZHNDCR-ZDUSSCGKSA-N 316.405 2.639 0 40 DFAB CCOC(=O)C[C@@H](n1ccc(C(F)(F)F)n1)C(F)(F)F 685936498 BGOHCCOHAHHDRP-SSDOTTSWSA-N 304.190 2.959 0 40 DFAB COc1ccc2nc(NS(=O)(=O)c3cccnc3)sc2c1 71859387 DJEBIVYXPOLGAZ-UHFFFAOYSA-N 321.383 2.501 0 40 DFAB CCn1cc(Br)cc1C(=O)NCC[C@@H]1CCCO1 38097437 NGEHNJXKZDFDNI-NSHDSACASA-N 315.211 2.569 0 40 DFAB COCCOCc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 47591724 ZHFCIWMPDNYNGT-XJKSGUPXSA-N 322.405 2.539 0 40 DFAB CCSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 58530666 SFSYNEOHQLQQFN-CYBMUJFWSA-N 310.467 2.805 0 40 DFAB COc1ccccc1CC(=O)NCc1ccc(-n2cccn2)cc1 40106972 QXOIISIXBSMHLU-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB Cc1cccc(-c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)c1 529775 YWWAJMQXRFSQAA-PTNGSMBKSA-N 319.389 2.674 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)c1cccc(-n2cnnc2)c1 12148653 KETZYEVPNYMGMG-GFCCVEGCSA-N 312.398 2.690 0 40 DFAB CC(=O)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 14165498 UBVCFHPPXBAFKJ-HNNXBMFYSA-N 324.336 2.618 0 40 DFAB COCCCNC(=O)c1ccc(-c2ccc(N)cc2Cl)o1 226350233 SDKSAQWUXREXRT-UHFFFAOYSA-N 308.765 2.949 0 40 DFAB CC(C)[C@H](C)NC(=O)CSc1nncn1-c1ccccc1 3545831 MNFHUEJOFVGXTI-LBPRGKRZSA-N 304.419 2.520 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 6322059 IUUILZPCHWPWDH-UHFFFAOYSA-N 317.772 2.970 0 40 DFAB Cc1nc(CCNC(=O)c2ccc(-n3ccnc3)cc2)cs1 24050919 SJUFEJQPRUTLOK-UHFFFAOYSA-N 312.398 2.610 0 40 DFAB Cc1cccnc1CN1CCC(O)(COc2ccccc2)CC1 2037905656 XRYUORPNKGYXNF-UHFFFAOYSA-N 312.413 2.796 0 40 DFAB CCc1ncnc(N2CCc3nc4ncccc4cc3C2)c1F 2087013806 IGTFNLJVYOKNCQ-UHFFFAOYSA-N 309.348 2.684 0 40 DFAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 1565543132 ANEFQCKZHXZRDR-APWZRJJASA-N 314.429 2.682 0 40 DFAB O=C(CCCc1ccccc1)N[C@H]1CC(=O)N(c2ccccc2)C1 5193437 PMUFUCUNNHLLJF-KRWDZBQOSA-N 322.408 2.931 0 40 DFAB COc1cccc2cc(-c3nc(-c4ccccn4)no3)c(=O)oc12 6817079 YWMVHRIPYWPHAW-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB CCc1nnsc1C(=O)Nc1ccc2c(c1)OCCCO2 24860170 MZZUEBUBNPRDSC-UHFFFAOYSA-N 305.359 2.514 0 40 DFAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCC2 40488987 KOCOBRZMVBLXDY-VIFPVBQESA-N 324.306 2.734 0 40 DFAB CN1N=C(C(=O)N[C@H](c2cccs2)C2CCCC2)CCC1=O 32397267 MIHWQEHILAWKEQ-HNNXBMFYSA-N 319.430 2.704 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)CCCNC(=O)C1CC1 32660327 KLGJEITYADSWAG-UHFFFAOYSA-N 324.808 2.902 0 40 DFAB Cc1csc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n1 21482952 OCSUNPNSUXUAOA-NSHDSACASA-N 322.817 2.972 0 40 DFAB O=C(Oc1cccc(-n2cnnn2)c1)c1ccccc1Cl 411617 JARBPSIYRAXJIE-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB CCN(Cc1ccoc1)S(=O)(=O)c1cnc(Cl)c(C)c1 78771402 SLNKYRXSEKWKMG-UHFFFAOYSA-N 314.794 2.847 0 40 DFAB CCCc1nc(CN2c3ccccc3C[C@H]2C(N)=O)cs1 79354097 CSQBYOXACCRVEQ-AWEZNQCLSA-N 301.415 2.512 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]1CN1CCCC1 95392659 CRYSBOBRBKKGOT-IDKBZEPQSA-N 320.458 2.547 0 40 DFAB CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 95349194 VBIIZSUZXXIODA-SNVBAGLBSA-N 301.312 2.873 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3311270 AFENJMCNJNVACT-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 54661518 JXTZCYQZAUXIDC-JTQLQIEISA-N 307.300 2.676 0 40 DFAB COc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1O 12545979 OSJNLDQANQFDBV-CQSZACIVSA-N 304.733 2.908 0 40 DFAB CC(=O)c1cccc(N/C=C\c2nnnn2-c2ccccc2)c1 6707914 SNTYGHVWKAJABG-KHPPLWFESA-N 305.341 2.948 0 40 DFAB CN(Cc1ccc(F)cc1F)Cn1ncc2ccccc2c1=O 24619093 OCYXOBDJFKMWCO-UHFFFAOYSA-N 315.323 2.764 0 40 DFAB Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@@H]1C=CCN1 55283338 HIKNXYZFEQUCRO-ZDUSSCGKSA-N 314.414 2.644 0 40 DFAB C[C@@H](NC(=O)C1CCCCC1)c1ccccc1NS(C)(=O)=O 43284647 BYSYIPZQQXCYQP-GFCCVEGCSA-N 324.446 2.816 0 40 DFAB CNc1ncc2c(n1)CN(Cc1cccc(C(F)(F)F)c1)C2=O 57279616 OTTKZGMNHPFFRP-UHFFFAOYSA-N 322.290 2.693 0 40 DFAB COc1ccc(C(=O)Nc2ccccc2-n2cncn2)c(F)c1 25002664 FAZFRFJQPYYHOU-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB CN(C)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12565219 BMQRNNGJOXWPHQ-UHFFFAOYSA-N 323.396 2.897 0 40 DFAB CCc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)sc1C 25246543 KVNRUWYINAKSJN-UHFFFAOYSA-N 322.474 2.996 0 40 DFAB COCc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 25330751 PLDXAJDUAPIOAZ-INIZCTEOSA-N 318.442 2.927 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cn1 56000363 VABZFPJYAWWBOE-QGZVFWFLSA-N 315.392 2.726 0 40 DFAB Cc1cccc([C@@H]2CCCN2C(=O)CN(C)c2cnccn2)c1 56001959 UPRJSCKJSMCAFF-INIZCTEOSA-N 310.401 2.585 0 40 DFAB Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 57174832 PMTHQLXJGNKRQS-LJQANCHMSA-N 323.440 2.918 0 40 DFAB O=C(O)CCCNc1ncnc2ccc(Br)cc12 1772893 LJMFCFTXVUWJMV-UHFFFAOYSA-N 310.151 2.669 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2o1 26917001 UZRAHJOYUBBEAB-MRXNPFEDSA-N 321.380 2.501 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccncc2)n1 48136063 FLGOSODNIWZAIV-AWEZNQCLSA-N 314.389 2.884 0 40 DFAB O=C(NCCCn1cccn1)N[C@H]1CCSc2ccccc21 44949836 KJLGCFGYKVLOPP-AWEZNQCLSA-N 316.430 2.810 0 40 DFAB Cc1csc(CNCc2c(C(C)C)nn(C)c2N(C)C)n1 58392221 JUFWQGLTLFPHSO-UHFFFAOYSA-N 307.467 2.664 0 40 DFAB Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cn1 58330014 HWIZOZUATXZDLF-UHFFFAOYSA-N 306.369 2.548 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)Cc2cccs2)c1C 58406934 OUFCOPUYMDIKPQ-UHFFFAOYSA-N 304.415 2.970 0 40 DFAB CC(C)Oc1ccc(CNC(=O)COc2ccccc2)cn1 48333602 XUBLGDDJXPOLIN-UHFFFAOYSA-N 300.358 2.564 0 40 DFAB CCc1ncc(C(=O)Nc2ccccc2CS(C)(=O)=O)s1 58764315 GKCDEEOJQPHPLQ-UHFFFAOYSA-N 324.427 2.502 0 40 DFAB Cc1ccc(-c2noc(CNc3ccccc3C(N)=O)n2)cc1 10939477 XADKDXOWFWVTGE-UHFFFAOYSA-N 308.341 2.756 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1C(N)=O 3452726 LJZNNPBBHPOLNK-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB COc1cccc2[nH]cc(CC(=O)N(C)[C@@H](CO)C(C)(C)C)c12 97112946 PZXCDADYAREBHV-HNNXBMFYSA-N 318.417 2.584 0 40 DFAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(Cl)s2)n(C)n1 97111504 WTMZQHBOPWYFFQ-VIFPVBQESA-N 312.826 2.733 0 40 DFAB COc1cc(-c2ccccc2)ccc1CN[C@@H]1CCC(=O)NC1 96004730 FLKNQVGJFKLSBS-QGZVFWFLSA-N 310.397 2.730 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccs2)c1C 9337833 GDLRREXVTPMTSK-UHFFFAOYSA-N 321.354 2.519 0 40 DFAB CSc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 6127509 CEGSEQCENJTTCG-UHFFFAOYSA-N 316.382 2.525 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 6210549 KMCZUXRIMDUVOO-UHFFFAOYSA-N 315.354 2.566 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccccc2)C[C@@H](C)O1 21055190 ITCSNHDGLAEVAU-HZPDHXFCSA-N 318.461 2.623 0 40 DFAB Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3cnn(C)c3)nc12 14180014 NFXLXCRBRIOJRR-SDQBBNPISA-N 300.749 2.702 0 40 DFAB C[C@H](NC(=O)COc1ccc2c(c1)OCO2)c1ccc(F)cc1 14738301 DVMYTYWNBKRGII-NSHDSACASA-N 317.316 2.811 0 40 DFAB CN1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1 113943830 XWIMVHRWLFGWMH-UHFFFAOYSA-N 301.434 2.501 0 40 DFAB CCOC(=O)CN(Cc1ccccc1)C(=O)CC[C@H]1CCCO1 67113300 ITLHCLRSAPOUNS-MRXNPFEDSA-N 319.401 2.538 0 40 DFAB O=C(c1cccnc1)N1CCN(c2ccnc3ccsc23)CC1 96429205 CVYLEFZMWRYRIR-UHFFFAOYSA-N 324.409 2.654 0 40 DFAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 64467701 OJOJNAXPSSOPAX-UHFFFAOYSA-N 323.395 2.908 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)C2CCCCC2)c1C 7786429 PCYBXHYTJNXOJZ-UHFFFAOYSA-N 306.406 2.865 0 40 DFAB CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 408707335 NDOUSGOLWWRVLJ-CZUORRHYSA-N 302.418 2.560 0 40 DFAB CN(C)Cc1ccc(C(=O)N2CCOc3ccccc3C2)cc1 69486697 ZVGLCSYPLFXLLW-UHFFFAOYSA-N 310.397 2.783 0 40 DFAB CC(C)COc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1Cl 69432001 BAEVPXVXGHPYGN-GFCCVEGCSA-N 310.781 2.592 0 40 DFAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2csnn2)c1 69441068 GCAXEDOEHWNYDL-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB CNC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 8424192 QXWCSZXQOVFIDJ-UHFFFAOYSA-N 305.337 2.847 0 40 DFAB C[C@H](SCc1nc(N)c2ccccc2n1)C(=O)NC(C)(C)C 69769454 PGMHWKDFQOXLNX-JTQLQIEISA-N 318.446 2.748 0 40 DFAB COc1ccccc1CC(=O)NCc1ccnc(NC2CC2)c1 95464994 VWXQAAIIAUQACZ-UHFFFAOYSA-N 311.385 2.523 0 40 DFAB CN(C)c1nc(C[S@](=O)Cc2ccccc2Cl)ns1 97080196 YQDFFFAKMJDCBJ-IBGZPJMESA-N 315.851 2.706 0 40 DFAB Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCC(=O)N1 95997245 SFXAFCOIJAWZAN-QGZVFWFLSA-N 323.396 2.824 0 40 DFAB CC(C)OCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O 95958710 HWKCPMWMDJVNGG-MRXNPFEDSA-N 308.397 2.678 0 40 DFAB O[C@H](CNc1nn2cc(-c3ccc(F)cc3)nc2s1)C1CC1 75049439 HUJBDZCCRRRABW-CYBMUJFWSA-N 318.377 2.780 0 40 DFAB O=C(c1cccc(C(=O)N2CCCC2)n1)N1CCCCCCC1 89794133 OFRICVONBANACX-UHFFFAOYSA-N 315.417 2.724 0 40 DFAB COc1ccc(CNCc2cc(OC)c3c(c2)OCCO3)cc1 22771077 ZBQBVDKUCPSZGO-UHFFFAOYSA-N 315.369 2.765 0 40 DFAB CCCCOc1ccc(/C=C/C(=O)NCCCC(=O)OC)cc1 62715080 PCYXEZQKSBEYTK-FMIVXFBMSA-N 319.401 2.948 0 40 DFAB O=C(OCc1ccccc1)N1CCNC[C@@H]1Cc1ccccc1 39952229 HCQYTZKUECDAAC-SFHVURJKSA-N 310.397 2.840 0 40 DFAB CC(=O)N1CCC[C@H](c2ccnc(Nc3ncccc3C)n2)C1 72377478 KFEHHVGSRJENHH-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2C 32104688 XAZJACYWUHCISD-UHFFFAOYSA-N 314.370 2.774 0 40 DFAB O=C(CCOc1cccc(Cl)c1)N1CCC[C@@H]1c1ncon1 565314545 OHAGXYLLTHHYFT-CYBMUJFWSA-N 321.764 2.856 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 36378214 IPRDDGKFEQMAKA-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1Cl 36121628 NFPXDDVVTWHQGT-GHSKTYPESA-N 321.760 2.810 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2F)cc1Cl 72227927 QUNXBYSPIATUPI-GJZGRUSLSA-N 320.751 2.903 0 40 DFAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 30882689 JNZSGGCAKXSIIE-BQFCYCMXSA-N 316.445 2.935 0 40 DFAB biogenic,in-vitro CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccccc12 69706041 ISWZYJCRMMFZKF-IAGOWNOFSA-N 310.401 2.610 0 40 DFAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1CO 218489402 WVMDEDLCYIQWFS-ARFHVFGLSA-N 322.813 2.888 0 40 DFAB O=C(CCn1ncc2c(Cl)cccc21)N1CCSCC1 40759481 SDNZPXVARBLNBN-UHFFFAOYSA-N 309.822 2.655 0 40 DFAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(C)=O)C1 72370204 LXANLRXFPCWYCH-LLVKDONJSA-N 302.399 2.597 0 40 DFAB O=C(O)[C@]1(Cc2ccc(Br)cc2F)CCCNC1 62851552 WUPLRINFYBLURS-ZDUSSCGKSA-N 316.170 2.585 0 40 DFAB CCN1CCN(c2c(Cl)cc(N)cc2Br)CC1 45885910 AHNFLGWDHSFTSK-UHFFFAOYSA-N 318.646 2.827 0 40 DFAB CCC(CC)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 42954461 CYXPVCXUZAMELW-UHFFFAOYSA-N 313.442 2.874 0 40 DFAB CCOC(=O)c1cc(=O)c2cc(F)c(Cl)nc2n1C1CC1 40448910 VTMQIAOSKAYHQO-UHFFFAOYSA-N 310.712 2.701 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCCCC2)cc1 225314839 LPTJUPXZGHWTDG-UHFFFAOYSA-N 304.434 2.620 0 40 DFAB CCN(CC)c1ccc(NC(=O)C(F)(F)F)cc1C(=O)OC 226276512 SFMGBTISKUKWTB-UHFFFAOYSA-N 318.295 2.820 0 40 DFAB Cc1csc2c(=O)n(Cc3noc4c3CCCC4)cnc12 195411766 WJFRGSNTTQZJDL-UHFFFAOYSA-N 301.371 2.682 0 40 DFAB Cc1nsc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 195544269 CGIWZLWLSYDWKL-GFCCVEGCSA-N 322.821 2.742 0 40 DFAB CC[C@@H](COc1ccccc1)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2 195543505 MHUHHUGPUDJUNF-YNBOMUFVSA-N 316.445 2.881 0 40 DFAB C[C@@H](NC(=O)C(F)(F)c1ccccn1)[C@H](O)c1ccc(F)cc1 96495444 ROGYZRNNKMBACM-YGRLFVJLSA-N 324.302 2.551 0 40 DFAB O=C1CC[C@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccccc1 95951720 XBFSUJTYFMHDPG-BJLQDIEVSA-N 306.409 2.933 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(Cc1c(C)noc1C)C2 96039333 YRXNVQADONDFKO-DLBZAZTESA-N 308.422 2.699 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@H]12 96058427 IDOZTHVDEJBFEB-HKUYNNGSSA-N 310.397 2.768 0 40 DFAB c1ccc(NC[C@]23COC[C@H]2CN(Cc2cccs2)C3)nc1 96220753 HMMZKUAHJQJDFG-PBHICJAKSA-N 315.442 2.704 0 40 DFAB COc1ccc(CCC(=O)NCc2cc(C3CC3)n(C)n2)cc1 96099317 JSKBXTQCEYNKDX-UHFFFAOYSA-N 313.401 2.555 0 40 DFAB CSCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 96408506 DSHOLTPFRYENMD-UHFFFAOYSA-N 302.827 2.582 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(F)c2)C1 95407638 MLHKPVRWKPUVMB-HOCLYGCPSA-N 321.440 2.740 0 40 DFAB CC(C)(C)SCC(=O)Nc1cccn(CC(F)(F)F)c1=O 96462345 QQQNGOGOMMNHTF-UHFFFAOYSA-N 322.352 2.881 0 40 DFAB Cn1cnnc1-c1cncc(NCc2cccc3[nH]ccc23)c1 93110734 SFFAAZDBMCGWTF-UHFFFAOYSA-N 304.357 2.971 0 40 DFAB COCCN1CCN(Cc2ccc(F)cc2)Cc2cccnc21 96060927 HWKXULNYBJTVFK-UHFFFAOYSA-N 315.392 2.689 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257311254 UIRTXLHBIZCCOQ-AWEZNQCLSA-N 316.430 2.765 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2-c2cnn(C(C)C)c2)C1 257233740 GQNMOHASYMRVJF-CQSZACIVSA-N 313.405 2.647 0 40 DFAB Cn1nccc1-c1csc(N[C@H]2CCOc3ccccc32)n1 585090639 GXNCFGDBIAMVKO-LBPRGKRZSA-N 312.398 3.479 0 40 DFAB O=C(NC[C@@]1(O)CCSC1)Nc1cc(Cl)ccc1Cl 83064001 VAPCBILLPHRANA-LBPRGKRZSA-N 321.229 2.983 0 40 DFAB COc1cc(C(=O)OCC2(C)COC2)cc(Cl)c1OC 66522649 KGGWVVICHUBLKC-UHFFFAOYSA-N 300.738 2.551 0 40 DFAB CN(CCc1ccncc1)C(=O)c1ccn(-c2ccccc2)n1 69366979 POTFBWQIOPHSEN-UHFFFAOYSA-N 306.369 2.582 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)N[C@@H](C)c2csc(C)n2)o1 76087388 QSBYRWMPJVBHEV-ZUZCIYMTSA-N 323.418 2.621 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnc(C2CC2)o1 75132428 QQRVXOGPPLQAHG-CYBMUJFWSA-N 301.394 2.634 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NCc1cccc2c1OCCCO2 42797102 UIODGBAPTHKMKU-HNNXBMFYSA-N 313.401 2.749 0 40 DFAB COc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 97083236 FDHWFUKGINVCJM-UHFFFAOYSA-N 320.433 2.562 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H](C1CC1)N1CCCC1 97376293 JDQPHAKPCMGDHK-IRXDYDNUSA-N 320.477 2.859 0 40 DFAB CC[C@H](CCO)NC(=O)Nc1c(C)cccc1OC(F)F 97598178 MCJLJOXWHVTFIL-SNVBAGLBSA-N 302.321 2.879 0 40 DFAB CCOc1ccccc1CN(CCCO)Cc1ccncc1 13568168 MCBSMCNPNXEKHO-UHFFFAOYSA-N 300.402 2.865 0 40 DFAB Cc1nn(C)cc1-c1cncn1[C@@H](C)Cc1c(C)nn(C)c1C 19719426 FZEJFFRGYNRJBB-NSHDSACASA-N 312.421 2.746 0 40 DFAB Cc1nc(C)c(C(=O)N2CC[C@H](Cc3nccs3)C2)s1 607853361 NGAFJUUYXXDAEE-LLVKDONJSA-N 307.444 2.921 0 40 DFAB CSc1ccc2nc(N(C)C[C@H]3COCCO3)sc2c1 1888870170 MLCKCKGQUFECPI-JTQLQIEISA-N 310.444 2.870 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1Br 4713226 FNEUYRSNLVHTKX-KGOITJQVSA-N 318.170 2.761 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](OCC3CC3)C2)cc1 575618138 JEBFBODAJRJGDF-KAMXEHQASA-N 321.442 2.796 0 40 DFAB CCOc1ccc(CNc2ncnc3c2ncn3C2CC2)cn1 2298076913 JTEKLKODJPLDJE-UHFFFAOYSA-N 310.361 2.567 0 40 DFAB CN(C)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cn1 30117685 HFDUGYBNMPQNPF-UHFFFAOYSA-N 324.384 2.527 0 40 DFAB COC(=O)c1ccc(C)c(OCC(=O)Nc2cccc(F)c2)c1 40051893 AWLXFPMALRABKF-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB NC[C@@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C1 50246251 UPWXKUQWBCSOAJ-QMMMGPOBSA-N 317.614 2.523 0 40 DFAB Cc1c(C(=O)N(C)[C@H](C)C(C)(C)C)sc2ncn(C)c(=O)c12 31407680 LCERCDYXLSWICC-SNVBAGLBSA-N 321.446 2.810 0 40 DFAB c1ccc2[nH]c([C@@H]3CCCN(c4ncnc5nc[nH]c45)C3)nc2c1 40512412 KOVDMDFJOKHLGT-LLVKDONJSA-N 319.372 2.613 0 40 DFAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCCC(=O)O 20727661 XMIAWYWLHBKUHD-UHFFFAOYSA-N 322.361 2.852 0 40 DFAB Cc1cn2nc(NC[C@H](CO)Cc3ccc(F)cc3)sc2n1 51991905 DRDXBRUSNQCJLU-GFCCVEGCSA-N 320.393 2.501 0 40 DFAB COc1cccc2cc([C@H](C)NCCCN3CCOCC3)oc12 32917363 DRDZYXKGWQNTLG-AWEZNQCLSA-N 318.417 2.814 0 40 DFAB Cc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1C 411460 HJEJCOGDGZOAOB-UHFFFAOYSA-N 307.357 2.596 0 40 DFAB Cc1noc(C)c1CN1CCC(NC(=O)OC(C)(C)C)CC1 52909143 YHIGINJKVDFZGW-UHFFFAOYSA-N 309.410 2.781 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@H]2c2cccs2)ccc1=O 41596333 LTTDIBHANAQLQX-ZDUSSCGKSA-N 317.414 2.692 0 40 DFAB CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)C(C)C)CC2)cc1 22880996 LRRNUZZLNYICDV-AWEZNQCLSA-N 317.433 2.765 0 40 DFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccco1 12323903 UIFBZXQNWVWKMO-KRWDZBQOSA-N 323.352 2.861 0 40 DFAB COc1cc(CNCc2cccnc2-n2cccn2)cc(OC)c1 95350116 YMJRWXMDUUZJAM-UHFFFAOYSA-N 324.384 2.574 0 40 DFAB Cc1cc(CCC(=O)N2CCOCC2)ccc1Br 79048866 NUKSIEKLTGESDG-UHFFFAOYSA-N 312.207 2.549 0 40 DFAB O=C(OCCn1cccn1)c1cccc(C(F)(F)F)c1F 79755154 FACCXRINCDEZLP-UHFFFAOYSA-N 302.227 2.898 0 40 DFAB COc1cccc(C[C@H](N)c2cccc(OC)c2OC)c1OC 2041912 AIEJFYBNOQOFPN-AWEZNQCLSA-N 317.385 2.964 0 40 DFAB Cc1noc([C@H]2CCCN([C@@H](C)c3nc(C(C)(C)C)no3)C2)n1 54676262 WTGPHDMPPPTIBL-JQWIXIFHSA-N 319.409 2.999 0 40 DFAB COC(=O)c1cc(NCc2cnc3ncccn23)cc(C)c1C 95995872 FDJOSBHFQADKBK-UHFFFAOYSA-N 310.357 2.745 0 40 DFAB O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@H]6C=C[C@H]4C(=C6)[C@@H]3[C@@H]5[C@H]2C(=O)N1c1ccccc1 104288465 QMPRSJAWTQVIDX-PIWRTZIHSA-N 315.372 2.656 0 40 DFAB Cc1ccccc1Cn1c(S(=O)(=O)O)nc2ccccc21 8415671 HQPOBTGNDQTPOR-UHFFFAOYSA-N 302.355 2.640 0 40 DFAB COc1ccc(CNc2nnc3n2CCCCC3)cc1OC 8493738 ZYFMCBNHBUWDAZ-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB CC(C)OCCCNC(=O)c1cccc(Nc2ncccn2)c1 43729558 KPMFVLQTDGZGNK-UHFFFAOYSA-N 314.389 2.765 0 40 DFAB OC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 108464618 NOBONNGYUUDDDU-VYJAJWGXSA-N 314.473 2.648 0 40 DFAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2[nH]nnc2c1 58046779 HYNMTSWZPSDZFS-UHFFFAOYSA-N 322.353 2.729 0 40 DFAB COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(F)cc1 58160169 KNKCZNDNDUJUHV-SWLSCSKDSA-N 324.396 2.644 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NOCc1ccccc1 58356534 VKCQVBSMRKBJEO-UHFFFAOYSA-N 307.353 2.663 0 40 DFAB CC1CCC(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 28276279 MNUJHKURHIRUSG-UHFFFAOYSA-N 318.417 2.827 0 40 DFAB CCSc1nnc([C@@H]2CCCN2Cc2ccncc2)n1C 57721830 XEDLWIFEEGRFCT-ZDUSSCGKSA-N 303.435 2.659 0 40 DFAB CCOC(=O)[C@@H](N)[C@]1(N2CCCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635515 JKFJQZJSVJKVBH-OSGQAZFXSA-N 322.493 2.948 0 40 DFAB C[C@](CC(=O)NCc1cccs1)(C(=O)O)c1ccccc1 29010254 BKGUYGJWHCTJEN-MRXNPFEDSA-N 303.383 2.797 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100395469 OAPZOXGLZGZDEE-IZKTWJBDSA-N 322.408 2.726 0 40 DFAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@H]1C[C@H](C)C(=O)C3 103837350 CHQACNHFEZBGIP-PRKYJLDLSA-N 315.413 2.514 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(Cl)cn1 3401528 WTKUCGKBXOFCIY-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB C[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3432234 ZMUNOUBUCGECCC-JTQLQIEISA-N 312.316 2.821 0 40 DFAB CCCc1n[nH]c(SCC(=O)Nc2cc(C(C)(C)C)no2)n1 11808182 JCAAGYIOTZAEPC-UHFFFAOYSA-N 323.422 2.774 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1F 29896753 YAQWFMQHXUNYKL-LBPRGKRZSA-N 316.380 2.943 0 40 DFAB Cc1ccc(C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 22027980 YJGYMXRHKHHRLW-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB Cc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)on1 46797466 ZDXZWWASVILNLR-UHFFFAOYSA-N 323.352 2.887 0 40 DFAB O=C(NCCCc1cccs1)N[C@@H]1CCO[C@@H](C2CC2)C1 95943357 YDQBQDMZIITINZ-UKRRQHHQSA-N 308.447 2.938 0 40 DFAB COC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 88784721 HIDYIRGTGOBXKF-GFCCVEGCSA-N 322.380 2.790 0 40 DFAB CC(C)[C@@H]1CCCN1CCCN1C(=O)c2ccccc2C1=O 64517443 VPXNWCOYEVEREA-INIZCTEOSA-N 300.402 2.793 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Oc2cc(C)cc(C)c2)c(C)o1 95437242 KUICFSLDJYWKDJ-UHFFFAOYSA-N 324.354 2.759 0 40 DFAB CC(C)c1ccc(NC(=O)COCC(=O)N2CCCCC2)cc1 13844849 QOEOGGHNIUFZQY-UHFFFAOYSA-N 318.417 2.778 0 40 DFAB CC1CCC(C)(NC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 65593401 DDLINAIEEDNRDI-BGMSHATGSA-N 323.462 2.933 0 40 DFAB O=C1OC2(CCCCC2)OC(O)=C1[C@@H]1NCCc2ccccc21 5348604 XGGGHWHZQTZTRR-OAHLLOKOSA-N 315.369 2.877 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(F)cc1)C2=O 4514790 NWHJIEAICFOYKL-SJKOYZFVSA-N 320.364 2.705 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1F 6537574 JNNDSQBLHCZHOO-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1cccc(Nc2nnc(S[C@@H](C)C(N)=O)s2)c1C 6608716 DIPHAGIDICPIHO-VIFPVBQESA-N 308.432 2.864 0 40 DFAB CCCNC(=O)NC(=O)COc1ccc(Cl)cc1Cl 5870375 XAADFDVWCUFZSK-UHFFFAOYSA-N 305.161 2.608 0 40 DFAB C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@H](c2ccccc2)O1 67589188 IKAUJHAZLMQEFG-RHSMWYFYSA-N 311.385 2.753 0 40 DFAB Cc1nc(C(C)C)sc1[C@H](C)NC[C@H]1CCCS1(=O)=O 90467587 KSQDMKCQAOOPSH-CMPLNLGQSA-N 316.492 2.803 0 40 DFAB CCNC(=O)NC(=O)[C@H](Sc1ccccn1)c1ccccc1 7699915 RDOLDTNJMIRXLW-CQSZACIVSA-N 315.398 2.761 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2ccn[nH]2)C1 170672678 UBBDDBATZOHPFL-CYBMUJFWSA-N 323.400 2.625 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)[C@@H](C)C(=O)O 95428069 RGQYYTNDIFAVNX-NSHDSACASA-N 307.781 2.739 0 40 DFAB CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)cc2c1OCOC2 16699002 XOUUVXNVZGNNMS-HNNXBMFYSA-N 323.364 2.610 0 40 DFAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)n1 16826760 XNFHXNQVPWJKTK-JTQLQIEISA-N 322.409 2.864 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccc(Cn3cccn3)cc2)C[C@@H](C)O1 69200864 GUGSOXJXFLEGRL-OKILXGFUSA-N 314.389 2.573 0 40 DFAB Cc1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1C1CC1 8217008 CVXJCQABUYPEAT-UHFFFAOYSA-N 319.415 2.512 0 40 DFAB Cc1cccc([C@H]2C[C@H]2C(=O)NCc2cccc(NC(N)=O)c2)c1 69384431 CHRUKQGDGBXMFN-IAGOWNOFSA-N 323.396 2.906 0 40 DFAB Cc1ccc(C)c(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)c1 69528196 DGWUOWCHESFAKB-SFHVURJKSA-N 309.369 2.666 0 40 DFAB Cc1cc(C(=O)Nc2cccc(CCN3CCCC3)c2)n(C)n1 91788026 QFGCTHLRSMNRFD-UHFFFAOYSA-N 312.417 2.619 0 40 DFAB CCCOC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 17975885 FDCRBUWICNYPPL-GJZGRUSLSA-N 313.353 2.709 0 40 DFAB Cc1ccc(OCC(=O)NCc2ccco2)c2c1[C@@H](C)CC2=O 9723756 GIRAWDUNMKAVPC-LBPRGKRZSA-N 313.353 2.973 0 40 DFAB CSc1ccc(C)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1 69815309 OHWZSRWROWUZDJ-ZDUSSCGKSA-N 316.430 2.786 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 69841004 NEPZXAKEXFYGSQ-OAHLLOKOSA-N 302.397 2.946 0 40 DFAB CCCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 8971351 VFRHCSCEVLYRIW-UHFFFAOYSA-N 315.354 2.849 0 40 DFAB CSc1ccccc1C[C@H](C)NC[C@H]1CCCS1(=O)=O 97084636 WHXHKPAJZCLSNG-GXTWGEPZSA-N 313.488 2.506 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@H](C)OC[C@@H]1C 97095314 HLXOJSVGPYIUGD-AVGNSLFASA-N 322.453 2.826 0 40 DFAB Cc1nc(C(C)(C)NC(=O)c2cc(C(N)=O)cs2)sc1C 72290767 QCJZJCQEMGDFLW-UHFFFAOYSA-N 323.443 2.585 0 40 DFAB Cc1ccccc1C1(CNC(=O)N2CC[C@@]3(CCOC3)C2)CC1 84235200 IBXJPOHBFVCLMD-GOSISDBHSA-N 314.429 2.849 0 40 DFAB Cc1csc([C@H](C)CNC(=O)N[C@H]2COc3ccccc32)n1 97109958 NYXPBDVZAUGZHQ-MFKMUULPSA-N 317.414 2.988 0 40 DFAB CCc1nsc(N(Cc2ccc(O)c(OC)c2)C2CC2)n1 97165723 JVMUGVJKBPMSFK-UHFFFAOYSA-N 305.403 2.984 0 40 DFAB Cc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 97142826 UVJKFNOKBNDBJL-CFVMTHIKSA-N 301.390 2.859 0 40 DFAB c1ccc(N2CCC(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)nc1 97237679 DWTFPNBKRIIDIQ-JQHSSLGASA-N 313.445 2.598 0 40 DFAB COc1cccc([C@@H](O)C(=O)NC[C@H](C)c2cccs2)c1 95979381 YEZADSUZRWTSQA-XHDPSFHLSA-N 305.399 2.710 0 40 DFAB CN(Cc1cccs1)S(=O)(=O)Cc1noc2ccccc12 95940387 FPPYNAQKRFJZPT-UHFFFAOYSA-N 322.411 2.851 0 40 DFAB c1ccc(Cc2nnc(SCc3nc(C4CC4)n[nH]3)o2)cc1 95986592 WTMAKPQHAZDHIC-UHFFFAOYSA-N 313.386 2.948 0 40 DFAB Cc1cccc(-c2ccc(C(=O)NCc3cc(C)on3)c(=O)[nH]2)c1 75123395 DDFWGCNXWMNOBU-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB CC(C)(C)[C@H](NC(=O)c1cnn(C2CCCCC2)c1)C(=O)O 89621430 CDGIVBGYDMKIBR-CYBMUJFWSA-N 307.394 2.617 0 40 DFAB Cc1cccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1Cl 89688788 IBTKOOXOPSZDDJ-DGCLKSJQSA-N 321.808 2.923 0 40 DFAB Cn1cncc1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 558431315 POPMCPWNKBQEKX-HNNXBMFYSA-N 303.793 2.980 0 40 DFAB O=C(COC(=O)c1cc(F)cc(F)c1)Nc1ccc(F)cc1 28829188 BSVZIWLSBOMUNM-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CC(C)c1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(O)c(=O)c1 521396923 GWHPFUDFKQOXQS-AWEZNQCLSA-N 317.429 2.877 0 40 DFAB CC(C)[C@@H]1C[C@@H](NCCCN2CCOCC2)C[C@H](C(C)C)O1 524734810 ABLARZIPFNVEDP-BCDXTJNWSA-N 312.498 2.527 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@@H]1OC 529032296 SOGKGTJBGYUQGN-UTUOFQBUSA-N 305.365 2.511 0 40 DFAB C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(F)cc1 32604203 XQVCNXKUMRIALZ-JTQLQIEISA-N 309.366 2.794 0 40 DFAB CN(C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72212580 WKNDAZSCJLHTRQ-UHFFFAOYSA-N 307.394 2.635 0 40 DFAB COCCN(Cc1ccsc1)C(=O)c1cc(C2CC2)on1 75170210 PXUMXIWUWKSFCQ-UHFFFAOYSA-N 306.387 2.902 0 40 DFAB CCc1noc([C@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)n1 46087167 DGXKTUYKFWWKGL-ZDUSSCGKSA-N 315.373 2.660 0 40 DFAB Cc1nc(O)c(C(=O)N=c2cc[nH]cc2)cc1-c1ccccc1 530697857 SICVXBVKIKDAKX-UHFFFAOYSA-N 305.337 2.832 0 40 DFAB CCOc1ccc(-c2noc(CN(C)C(=O)C3CC3)n2)cc1 225387263 DRQGRTSLOXAGQD-UHFFFAOYSA-N 301.346 2.504 0 40 DFAB COCc1nc2n(n1)CCC[C@@H]2NC[C@H](C)c1ccc(F)cc1 195573396 VXXOWXKJPSQPMT-WFASDCNBSA-N 318.396 2.792 0 40 DFAB C[C@H](NC(=O)N1CCOC[C@@H]1C)c1cccc(N2CCCC2)c1 87281596 SPEJVEITBZTCLV-GJZGRUSLSA-N 317.433 2.778 0 40 DFAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(C(=O)O)o1 191671974 YRFRHDGMPNRQTP-CHWSQXEVSA-N 309.362 2.644 0 40 DFAB Cc1nnc(C)n1NC(=O)Nc1ccc(Cl)c(Cl)c1 226823138 ZAUYFDMYURUBIB-UHFFFAOYSA-N 300.149 2.977 0 40 DFAB O=C(Nc1ccccc1OC(F)(F)F)N[C@@H]1CCC[C@H]1CO 96433905 OPKSANNJFNLEIO-VHSXEESVSA-N 318.295 2.868 0 40 DFAB C[C@H](CCNCc1cc(F)ccc1Br)[S@@](C)=O 90189422 KOOUQGKYZULLTJ-XLFHBGCDSA-N 322.243 2.835 0 40 DFAB Cc1nc([C@@H]2CCCN2C[C@H](O)c2ccccc2Cl)no1 95958020 YFIUNHHVKYIYLX-KBPBESRZSA-N 307.781 2.902 0 40 DFAB COCC[C@@H]1COC2(CCN(C(=O)c3ccccc3)CC2)C1 96072987 IMFMEXQTDJAKDV-HNNXBMFYSA-N 303.402 2.734 0 40 DFAB COc1ccc(Cn2nccc2I)cc1 96171666 STFNAKXFXQHKJN-UHFFFAOYSA-N 314.126 2.545 0 40 DFAB O=C(NCc1ccccc1Cl)c1cc(N2CCCC2)ncn1 240067911 SDQIZXXBCAEHSX-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB CCn1cc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)c(C)n1 257287812 PRQAFQMSSUCGDI-CQSZACIVSA-N 301.394 2.610 0 40 DFAB Cn1cnc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)c1 257322354 WFQSFYUDBVCYLO-UHFFFAOYSA-N 324.837 2.724 0 40 DFAB CC1(NC(=O)CCc2cccc(C3CCNCC3)n2)CCC1 257307377 SYISYPVZRJLEEK-UHFFFAOYSA-N 301.434 2.540 0 40 DFAB O=C(c1cc(OCC(F)F)ccn1)N1CCCc2ncccc21 272568251 QKZBKISPIBRCMV-UHFFFAOYSA-N 319.311 2.714 0 40 DFAB Cc1cnc2c(c1)N(C(=O)c1ncccc1C(F)(F)F)CCN2 585141735 XKUJNNLCUZGXNE-UHFFFAOYSA-N 322.290 2.876 0 40 DFAB CCn1c(C)cc(C(=O)NC2(C(=O)OC)CCCCC2)c1C 65802082 KMIDWFJSLSMOML-UHFFFAOYSA-N 306.406 2.731 0 40 DFAB CC(=O)NC[C@@H]1CCCN(Cc2ccccc2OC(C)C)C1 67412445 NCLJLIIEMUIDCU-INIZCTEOSA-N 304.434 2.822 0 40 DFAB Cc1ccc(CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n1C 72292300 CRMSHTCHLNHHOJ-UHFFFAOYSA-N 323.437 2.643 0 40 DFAB CCOc1ccc(-c2noc(CN3C[C@@H](C)O[C@H](C)C3)n2)cc1 44871204 VWBSLFGVVAYTCO-CHWSQXEVSA-N 317.389 2.745 0 40 DFAB O=C(CC(F)(F)F)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57064165 GBMLCTFLEMSDEZ-JTQLQIEISA-N 304.287 2.721 0 40 DFAB Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(C)c(F)c2)c1 57439832 AZDKDZZENHTNJK-OAHLLOKOSA-N 317.360 2.612 0 40 DFAB Cc1cc(C)c(C)c(OC(=O)c2ccc(CNC(N)=O)cc2)c1 58415064 DMFDERANBDBLET-UHFFFAOYSA-N 312.369 2.999 0 40 DFAB OCCCN(Cc1nc2ccc(F)cc2o1)CC(F)(F)F 89807279 XPGGKUBHGGREEJ-UHFFFAOYSA-N 306.259 2.714 0 40 DFAB Cc1nc(S)sc1CC(=O)Nc1ccc2c(c1)CCO2 75717806 GLRVRIWXXGWSDL-UHFFFAOYSA-N 306.412 2.856 0 40 DFAB CCOC(=O)COc1ccc(/C=C2/SC(=S)N=C2O)cc1 1022399 AXISFPMXIQSBTO-YRNVUSSQSA-N 323.395 2.958 0 40 DFAB COC[C@@H]1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(C)=O)[C@@H]21 1534691086 RMAVVECILNDQMD-HZMVEIRTSA-N 322.401 2.799 0 40 DFAB CCCCN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12984499 HWCHLWNUUZFHSH-HNNXBMFYSA-N 304.390 2.676 0 40 DFAB Cc1c(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnn1C 14249351 YZNUFRFKYPWSHR-UHFFFAOYSA-N 321.446 2.505 0 40 DFAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1C[C@H]1CCCO1 15502908 MHUKIHWCDILDFC-CXAGYDPISA-N 309.369 2.827 0 40 DFAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C1CCCC1 16838534 QSRNVIHVATTZHM-UHFFFAOYSA-N 314.341 2.877 0 40 DFAB COc1ccc(C[C@](C)(O)CNC(=O)c2cc(C)oc2C)cc1 75155513 LFABGEITUHLUFN-SFHVURJKSA-N 317.385 2.629 0 40 DFAB c1nc(NCCOc2ccc3c(c2)OCO3)c2ccsc2n1 40153743 AMWGHHXFAGCLLM-UHFFFAOYSA-N 315.354 2.911 0 40 DFAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 40475642 SXJCGCYHKSGYGF-HNNXBMFYSA-N 307.357 2.639 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c(C)oc(C)c2C)no1 31691063 WHERDZDMNONYLR-NSHDSACASA-N 306.318 2.685 0 40 DFAB CCn1c(=O)n(C[C@H](O)c2ccc(F)cc2F)c2ccccc21 51291512 VVFMAUCRBNBEDZ-INIZCTEOSA-N 318.323 2.835 0 40 DFAB O=C(NCc1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 20722936 KYDHUKNFORSVSV-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2ccccc2O)[C@@H]1c1ccccc1 20731917 INBPXSDPSAWIJI-KDOFPFPSSA-N 324.380 2.940 0 40 DFAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)cc1 316899 JELRJVLZBBLREB-IBGZPJMESA-N 309.365 2.970 0 40 DFAB Cc1cc(NC(=O)N(Cc2cccc(O)c2)C2CC2)n(C)n1 52797181 WGJSVSNRVPBAOT-UHFFFAOYSA-N 300.362 2.631 0 40 DFAB O=C1NCCN1C(=O)N(Cc1ccccc1)Cc1ccccc1 43513 YUWAKBITQMDQRT-UHFFFAOYSA-N 309.369 2.834 0 40 DFAB Cc1c(C(=O)N(C)CCOc2cccc(Cl)c2)cnn1C 71184870 FNIASARJRRPFIF-UHFFFAOYSA-N 307.781 2.533 0 40 DFAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc(Br)c1 37502868 DHXDWDMAEANCQS-LLVKDONJSA-N 323.234 2.663 0 40 DFAB CC[C@H](Sc1nnc2nc(O)c(C)nn12)c1ccc(F)cc1 77936633 RYWLNMOCLKMYHL-NSHDSACASA-N 319.365 2.916 0 40 DFAB Cc1noc(N)c1C(=O)OCCOc1ccc2ccccc2c1 47701559 YNBNFDNSCWQDJD-UHFFFAOYSA-N 312.325 2.954 0 40 DFAB CN(C(=O)c1ccc(N)cc1)[C@@H]1CCN(C2CCCCC2)C1 1569077 BCZLLYRBOISBCG-QGZVFWFLSA-N 301.434 2.748 0 40 DFAB Cc1cc(CNC(=O)N[C@@H](C)c2cnn(C)c2)cc(C)c1F 79069690 WQZOCBAXUJXPOA-LBPRGKRZSA-N 304.369 2.736 0 40 DFAB O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1 4932290 FGOPQVXKIVEYQN-UHFFFAOYSA-N 323.348 2.673 0 40 DFAB Cc1ccc(-n2c(C)nn(CN3CCO[C@H](C)C3)c2=S)cc1 12534557 YKLCTKUPUHZMTI-CYBMUJFWSA-N 318.446 2.698 0 40 DFAB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c(C)c1 1320531 OHIMJFNBYCBTCO-GOSISDBHSA-N 313.328 2.855 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1 51357075 CUZOONMNFWYVMA-UHFFFAOYSA-N 311.337 2.993 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 35153289 COEYNBVWKHNDQS-SNVBAGLBSA-N 313.756 2.894 0 40 DFAB O=C(O)[C@@H]1CCCN1Cc1ccc(Br)cc1F 35300995 HPKBJHZFBBRKDQ-NSHDSACASA-N 302.143 2.637 0 40 DFAB C[C@@](NC(=O)c1cccc2ccccc12)(C(N)=O)c1ccccc1 84656410 IEJRDSFNNKNFLW-FQEVSTJZSA-N 318.376 2.970 0 40 DFAB COc1ccc(C(=O)n2nc(C)c(C)c2C)c(OC)c1OC 9871281 WCLNUIHPLHDHCR-UHFFFAOYSA-N 304.346 2.523 0 40 DFAB O=C(Nc1cccnc1)N(Cc1ccncc1)C[C@H]1CCCO1 58108698 BJIYEFNXUWEYTE-MRXNPFEDSA-N 312.373 2.690 0 40 DFAB CC[C@@H](COC)NC(=O)N1CCC(Nc2ccccc2F)CC1 84733845 GLPFLKOXDWBYTR-ZDUSSCGKSA-N 323.412 2.837 0 40 DFAB O=C(NCCCNc1ccccn1)N1CCc2sccc2C1 44970663 SJTQPRHFVFZIBF-UHFFFAOYSA-N 316.430 2.713 0 40 DFAB COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1nnc(C)s1 44971129 NJIUJZBUKLQHEX-SSDOTTSWSA-N 310.354 2.877 0 40 DFAB CCN(CCc1nccs1)C(=O)c1n[nH]c2ccccc12 95436423 ZIKSRMHRKWDUSO-UHFFFAOYSA-N 300.387 2.724 0 40 DFAB CC[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)c1ccccc1 27957710 ZLMGBKAIJMWLLP-CABCVRRESA-N 310.463 2.747 0 40 DFAB CCCCn1nnnc1CSc1ncnc2ccccc12 48287715 VMEWBUZOHXDEES-UHFFFAOYSA-N 300.391 2.709 0 40 DFAB CC[C@@H](COC)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 95422875 DPNGXVOWMDOPEA-HNNXBMFYSA-N 324.852 2.959 0 40 DFAB CC[S@](=O)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 95417697 CDNMEMSMWTZOHC-GOSISDBHSA-N 308.230 2.720 0 40 DFAB COc1ccc(F)cc1C(=O)NCc1nc2ccccc2n1C 36398146 YODQDVIRWPWLSA-UHFFFAOYSA-N 313.332 2.651 0 40 DFAB CSc1ncccc1C(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C 58914938 PKGRWKHUEPXJFC-LBPRGKRZSA-N 324.446 2.900 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)OCO2 36627890 RDANHSZFKONERP-MGPLVRAMSA-N 313.309 2.582 0 40 DFAB O=C(Nc1cc(-c2ccccc2F)no1)c1nccn2ccnc12 95404226 KJJWPQWYBSMMDT-UHFFFAOYSA-N 323.287 2.776 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 3313878 LYTQOSUCOVVVBI-UHFFFAOYSA-N 303.358 2.951 0 40 DFAB CC(C)=CC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 11342983 NZLBNVHOJRBGPK-UHFFFAOYSA-N 313.361 2.515 0 40 DFAB COc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1O 48361518 DALRYLMUJLHCRN-CQSZACIVSA-N 304.733 2.908 0 40 DFAB Cc1nnc(CN2CCn3cccc3[C@H]2c2ccccc2)n1C 48366258 JUKIJHUBSWIGFP-GOSISDBHSA-N 307.401 2.530 0 40 DFAB Cn1ccc2c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cccc21 101678413 QVUJSYLVJRMETD-BETUJISGSA-N 314.385 2.799 0 40 DFAB O=S1(=O)CC[C@@H](NCc2cccc(Oc3ccccc3)c2)C1 61002594 MDOYILJGCRIDDF-OAHLLOKOSA-N 317.410 2.756 0 40 DFAB Cc1cccnc1NC(=O)NC1CCN(c2ccccn2)CC1 46943844 HGGPUTYIQRPFGD-UHFFFAOYSA-N 311.389 2.576 0 40 DFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCc2sccc2C1 12816576 BFFLXJUBQRTUKR-UHFFFAOYSA-N 315.366 2.773 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(F)cc1F 3435038 IRUXYDJVMKQSAB-HZMBPMFUSA-N 311.328 2.817 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2csc(C)n2)c[nH]1 48431611 WLXJXZQUJGLZJS-GFCCVEGCSA-N 319.430 2.945 0 40 DFAB c1csc(CN[C@@H]2CCc3nc(NC4CC4)ncc3C2)c1 306141849 WIBPQAVWSKYXES-CYBMUJFWSA-N 300.431 2.760 0 40 DFAB COc1cccc2cc([C@@H](C)NC(=O)NCc3ccon3)oc12 83173705 HSWJOVYITKGMLR-SNVBAGLBSA-N 315.329 2.990 0 40 DFAB C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1cccnc1 65620680 ZZVHAIAGZNNBNJ-VIFPVBQESA-N 321.739 2.690 0 40 DFAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@H]1C(=O)O 5480396 YWXJBBHDBDBABT-JKGMGYAYSA-N 305.418 2.962 0 40 DFAB C[C@H](NC(=O)CCOc1ccccc1)[C@H](O)c1ccc(F)cc1 95429967 NPIDGDSWISBWSA-UGSOOPFHSA-N 317.360 2.833 0 40 DFAB COc1ccc2[nH]c(=O)c(-c3noc(-c4ccncc4)n3)cc2c1 9303250 AGALZHDYMIIINB-UHFFFAOYSA-N 320.308 2.649 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@H](C)C(=O)Nc1ccccc1F 66298896 WGIVTUNKOSCISM-RKFFSXRUSA-N 324.377 2.706 0 40 DFAB COc1ccc(OCCOC(=O)c2n[nH]c3ccccc23)cc1 4822878 YVQVKZVGRHXDOE-UHFFFAOYSA-N 312.325 2.807 0 40 DFAB Cc1ccccc1CN(C)C(=O)C(=O)Nc1ccc(F)c(F)c1 80252342 HNBNPYSQAQGMDB-UHFFFAOYSA-N 318.323 2.870 0 40 DFAB O=S(=O)(NCCOc1ccccc1)c1cccc(Cl)c1 7304371 BKVMKXJEERNINZ-UHFFFAOYSA-N 311.790 2.697 0 40 DFAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(C(N)=O)cc1 7619182 AEEPEUBAPUCZQM-ZDUSSCGKSA-N 323.396 2.565 0 40 DFAB CNC(=O)c1cccc(CCN[C@H]2CC(C)(C)OC2(C)C)c1 96478168 ZEXLLMZHFSMCNV-HNNXBMFYSA-N 304.434 2.524 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68650722 CDAIOFMWOLYXKD-FXBDTBDDSA-N 316.184 2.775 0 40 DFAB CCOC(=O)c1ccc(C(=O)OCC)c(Br)c1 81937824 NJVLRKTULNWMSQ-UHFFFAOYSA-N 301.136 2.803 0 40 DFAB in-vitro CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ncn[nH]2)c1 69442697 SNXRNXKOOOKCIF-UHFFFAOYSA-N 321.384 2.689 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 71821189 ZOZGEQPJRRKPKW-IRXDYDNUSA-N 313.401 2.596 0 40 DFAB Cc1ccc(NC(=O)N2CCOCC2)cc1OCC(F)F 69779616 XKGPKHARAOZNTP-UHFFFAOYSA-N 300.305 2.503 0 40 DFAB COCc1csc(NC(=O)NC2(C)Cc3ccccc3C2)n1 92057770 SZBKRZUWGFVARA-UHFFFAOYSA-N 317.414 2.969 0 40 DFAB Cc1nn(C)c(Cl)c1CN1CCCC[C@H]1Cn1cccn1 69951425 SLZYXCDLOZJHST-ZDUSSCGKSA-N 307.829 2.633 0 40 DFAB O=C(COC(=O)CC1CCCC1)Nc1cccc2nsnc12 19106854 GQNQEKKJFHPTBB-UHFFFAOYSA-N 319.386 2.753 0 40 DFAB Cc1nccn1-c1cncc(N[C@@H](C)c2ccc3c(c2)OCO3)n1 92886800 MPLUUUSXKPFVMB-NSHDSACASA-N 323.356 2.873 0 40 DFAB Cc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1 9690012 CKBFVLQHPHRQKO-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB C[C@@H](C(=O)NCC(=O)c1ccccc1)N1CCCc2ccccc21 97013184 FBLXWHGKWZWVAE-HNNXBMFYSA-N 322.408 2.827 0 40 DFAB CCCNc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cncn1 97048418 ZPZGPVQOWRGMGV-SNVBAGLBSA-N 307.785 2.953 0 40 DFAB Cc1cc(C(=O)N(CCN2CCCC2)Cc2ccccc2)on1 72275296 CRWWBTMZSWGPMJ-UHFFFAOYSA-N 313.401 2.721 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc3cc(F)ccc3[nH]2)c(=O)[nH]1 72271206 IQZVGXMORVMSCV-UHFFFAOYSA-N 313.332 2.542 0 40 DFAB CCc1nsc(N2CCC(c3nncn3C(C)C)CC2)n1 95994771 CDBSIKWSFBXHDC-UHFFFAOYSA-N 306.439 2.657 0 40 DFAB Cc1cc(C)c2oc(NC(=O)Cc3c(C)nn(C)c3C)nc2c1 72313709 JUDNOAUUXONXAC-UHFFFAOYSA-N 312.373 2.976 0 40 DFAB c1ccc(-c2nnc3ccc(NCCc4ccc[nH]4)nn23)cc1 97233437 SRUBYUCRERPHIR-UHFFFAOYSA-N 304.357 2.774 0 40 DFAB Cc1ccc(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)o1 95962180 CUSWAEWELYYJAU-UHFFFAOYSA-N 311.297 2.959 0 40 DFAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](C)C2)cc1 35982073 XHMQPFJPUWCIMQ-HOCLYGCPSA-N 305.418 2.751 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2nccs2)C1 171643420 VEXSTTMTKSABJU-GFCCVEGCSA-N 317.414 2.957 0 40 DFAB O=C(C1=CCCC1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 306129681 IJNUHLJBSGALPP-GOSISDBHSA-N 323.396 2.783 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2Cl)C1 37392073 DLIHRDFPJOAPDY-ZCFIWIBFSA-N 318.554 2.540 0 40 DFAB O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1nc2ccccc2o1 517976242 GGYFOSBFZYEGHC-BPLDGKMQSA-N 302.374 2.584 0 40 DFAB Cc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218548891 KEVQLNPQEAOFLR-HRCADAONSA-N 321.829 2.915 0 40 DFAB O=C(C[C@@H]1CCCc2ccccc21)NCCCn1ccccc1=O 78712506 KNQJKPCSBGWKLH-KRWDZBQOSA-N 324.424 2.865 0 40 DFAB C[C@@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn12 217555450 QJGGLJUTMWNKKH-MRVPVSSYSA-N 318.178 2.574 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)CCC1CCCC1 560245125 SMJYPWKFMGDFJC-UHFFFAOYSA-N 321.446 2.905 0 40 DFAB Cc1ccc(-n2cc(C(=O)N(C)Cc3ccccc3)nn2)cc1 32477687 CXUZFWBZXLIOIP-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB Cc1nn2cnnc2c(C)c1CCC(=O)NC1CCCCCC1 71284164 CDWFAPDVVGXBRR-UHFFFAOYSA-N 315.421 2.513 0 40 DFAB COc1ccc(NC(=O)COc2c(C)occc2=O)cc1Cl 40266804 DSRCFVREKSPGHS-UHFFFAOYSA-N 323.732 2.628 0 40 DFAB C[C@]1(C(=O)NCc2ccco2)CC(c2ccc(F)cc2)=NO1 226749185 YZKNMDWGZBMMOX-MRXNPFEDSA-N 302.305 2.618 0 40 DFAB c1cncc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 49169696 MUICODUPDBYTOF-HNNXBMFYSA-N 307.357 2.516 0 40 DFAB biogenic,in-vitro COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cc1 225917003 FEAYFOJZVAYVMI-UHFFFAOYSA-N 317.341 2.979 0 40 DFAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C 224109780 HAWRLSVZAIKOCX-OAHLLOKOSA-N 304.434 2.976 0 40 DFAB C[C@@H](CNc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 194159299 GKTIFIBDNJWUFZ-AWEZNQCLSA-N 318.442 2.951 0 40 DFAB Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2nnc(C)n2C)c1 195570269 LLEGQPULKSJRRA-IRXDYDNUSA-N 314.433 2.912 0 40 DFAB O=C(Nc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 96452130 GLTXVZAZZYZRRR-ZCFIWIBFSA-N 320.570 2.783 0 40 DFAB Cc1noc(C)c1CN1CCc2ncnc(-c3ccoc3)c2CC1 96255157 SMWJJXDZQQOWMA-UHFFFAOYSA-N 324.384 2.942 0 40 DFAB Cc1ccc(CN2CCn3c(Cn4cccn4)cnc3[C@H]2C)o1 96062043 QMECWGADIMTITE-CQSZACIVSA-N 311.389 2.606 0 40 DFAB COC[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 96406600 RCJIZZULUBLDIV-NVXWUHKLSA-N 302.418 2.540 0 40 DFAB O=C(N[C@@H]1COC2(CCCCC2)C1)c1cn2ccsc2n1 92081839 CQDUHZOYKYYCQO-NSHDSACASA-N 305.403 2.617 0 40 DFAB c1cncc(CN2CCCn3cnc(Cn4cccc4)c3C2)c1 96259458 ZDLPMVSBMRMQBK-UHFFFAOYSA-N 307.401 2.534 0 40 DFAB COc1c(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c(C)nn1C 96426776 AYMUSYXXQMWXQP-ZDUSSCGKSA-N 315.417 2.715 0 40 DFAB C[C@@H](CNC(=O)Nc1ccn(C)n1)Oc1ccc(Cl)cc1 96434417 HXJSYDGCBNJYCG-JTQLQIEISA-N 308.769 2.663 0 40 DFAB N[C@@H]1CCC[C@H]1CCS(=O)(=O)c1cccc(C(F)(F)F)c1 93623377 AZZKWURBQWNPPB-GXFFZTMASA-N 321.364 2.997 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)CCN(C)C)c1 96408476 MDLLFAJVDCWRFW-HNNXBMFYSA-N 303.450 2.665 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2CN)cc1 252516833 XDKJNKPOHFAFHI-GVDBMIGSSA-N 301.411 2.510 0 40 DFAB Cc1cc(CC2CCN(C(=O)C3CCOCC3)CC2)ccn1 257338011 YVKKSSWDOQTTJQ-UHFFFAOYSA-N 302.418 2.598 0 40 DFAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCC(C)C)n1 260739969 RALIECNXCOUPPN-LBPRGKRZSA-N 321.494 2.964 0 40 DFAB O=S(=O)(NCc1ccccc1-c1ccsc1)c1c[nH]cn1 96122966 XKPNXGNVCSHLMW-UHFFFAOYSA-N 319.411 2.617 0 40 DFAB C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccn(C)n1 680630464 MUOSUEHLXVGDQS-GDBMZVCRSA-N 312.417 2.550 0 40 DFAB CC(C)(C(=O)N1CCN(c2nccs2)CC1)c1ccccc1 32904498 ORFMITZPQIHMHN-UHFFFAOYSA-N 315.442 2.770 0 40 DFAB CC(=O)Nc1ccc(CCNC(=O)Nc2c(C)noc2C)cc1 71803321 YXXWTRVZKRSOHM-UHFFFAOYSA-N 316.361 2.614 0 40 DFAB CC(C)CC(=O)N[C@@H](C(=O)Nc1cccnc1Cl)C(C)C 78991991 QKHKCOPPXCDOHE-CYBMUJFWSA-N 311.813 2.860 0 40 DFAB O=C(c1ccc(SCCCn2ccnc2)nc1)N1CCCC1 97114228 ZWMFNJDBTLWEFV-UHFFFAOYSA-N 316.430 2.697 0 40 DFAB CCOC(=O)c1[nH]c2ncnc(Cl)c2c1Br 584647909 QGSMRXIPUPXCAD-UHFFFAOYSA-N 304.531 2.551 0 40 DFAB Cc1cnccc1CN1CCC[C@@H]2CN(C(=O)CC(C)C)C[C@@H]21 12144162 TUKWGLZLCUORAW-MSOLQXFVSA-N 315.461 2.859 0 40 DFAB CCn1c(SCC(=O)Nc2nccs2)nnc1C(C)C 13995641 DTHMCOSZHNZFHM-UHFFFAOYSA-N 311.436 2.609 0 40 DFAB COC(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1 14788151 AYXXTYVCGAOXOT-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C1/C(=C/c2ccccc2O)NC(=S)N1C1CCCCC1 15260052 IMVONNMBWSNFGJ-RAXLEYEMSA-N 302.399 2.783 0 40 DFAB COCCOc1ccccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2 153235180 SNOGJKGDZZYHMX-GOOCMWNKSA-N 318.417 2.571 0 40 DFAB CC1=NN(C)C(=O)[C@@H]1CCOC(=O)Nc1cccc(Cl)c1 100326411 VXUSIPBOWHVILR-GFCCVEGCSA-N 309.753 2.743 0 40 DFAB CCOc1cccc2sc(N(CCN(C)C)C(C)=O)nc12 4359261 QHWGOWAJBPXXRH-UHFFFAOYSA-N 307.419 2.610 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H](c2cc[nH]n2)C1 1848352339 KGBIXRSJWLUMQV-CQSZACIVSA-N 308.385 2.840 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1c(C)noc1C 3416688 MVKGNLZDWGXTOF-UHFFFAOYSA-N 303.314 2.860 0 40 DFAB O=C(COc1ccc(C(=O)O)cc1Cl)NCc1ccccc1 13084861 FROUMSFEYADFQH-UHFFFAOYSA-N 319.744 2.733 0 40 DFAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cccc2ccccc12 238831486 GAASKFYGPZIVLS-KRWDZBQOSA-N 308.385 2.886 0 40 DFAB Cc1cc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)no1 238959633 YHXXZJGRZGWPBF-CYBMUJFWSA-N 324.340 2.663 0 40 DFAB Cc1csc(C(=O)N2CCC[C@]3(CCN3C(=O)C(C)C)C2)c1 1614928301 CAJYZFRAXXZJBQ-KRWDZBQOSA-N 320.458 2.920 0 40 DFAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccco1)n1cccn1 575613648 JGYKAVJNFABWDK-ZNFPLGDCSA-N 307.353 2.895 0 40 DFAB O=C(O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 1271090 RWVHRLDIPXKKIN-JHLWKMQHSA-N 303.339 2.754 0 40 DFAB Cc1cc(C)c(NC(=O)CNC(=O)NC2CCCC2)c(C)c1 31036935 JEQLRPSTHNGNHH-UHFFFAOYSA-N 303.406 2.792 0 40 DFAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(F)cc1Cl 101718947 DDRLCJAJWJTYHB-VIFPVBQESA-N 309.724 2.672 0 40 DFAB COc1ccc2cc(C(=O)NCCc3ccccn3)c(C)nc2c1 32657196 OQHPAOSTXSCUCO-UHFFFAOYSA-N 321.380 2.919 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)c1c[nH]c2ccccc2c1=O 32920847 IAIUGFOHVHFIFJ-UHFFFAOYSA-N 318.376 2.990 0 40 DFAB O=C1NCCCC[C@@H]1Sc1ncc(-c2ccc(F)cc2)[nH]1 22988572 FXLBEZSCWUWDNS-ZDUSSCGKSA-N 305.378 2.977 0 40 DFAB CCC[C@H](C)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 97082171 LKTJTRFHNMGCQU-HNNXBMFYSA-N 303.450 2.951 0 40 DFAB COC(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1 54272642 OPRYOJVLNAETMJ-INIZCTEOSA-N 324.336 2.929 0 40 DFAB CS(=O)(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O 1695759 OITAOLSAMIHDBV-UHFFFAOYSA-N 315.350 2.832 0 40 DFAB CCCOC(=O)c1ccc(NC(=O)c2cc(C)nn2C)cc1 2753928 MSHHYZJQLOHVGI-UHFFFAOYSA-N 301.346 2.548 0 40 DFAB CCC(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 72272679 ZMAZYOMSTSKZJN-UHFFFAOYSA-N 318.373 2.552 0 40 DFAB CNC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1cccnc1 1393479 XMGPGRNMIWKQRN-UHFFFAOYSA-N 304.353 2.874 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cccc(C(F)(F)F)c1=O 25058408 QHADUAZNMNXUFM-PWSUYJOCSA-N 316.323 2.562 0 40 DFAB c1cc(-c2nc3c(c(N4CCO[C@H]5CCC[C@H]54)n2)CCC3)ccn1 106924751 OHSVVYSYRYWTSQ-SJORKVTESA-N 322.412 2.785 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 35176173 CKNFUHXTCVHEFX-SNVBAGLBSA-N 313.756 2.894 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccncc1 108087558 UVWULEUMRVGEPR-CKEIUWERSA-N 301.434 2.769 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1F 57355034 GAIKHRWICHODOO-PBHICJAKSA-N 318.392 2.794 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)n1 72235538 HWPYBEKGYJNXAD-KZNAEPCWSA-N 324.428 2.862 0 40 DFAB O[C@H](CNCc1cccc2c1OCCCO2)c1ccc(F)cc1 58230721 ZKCDHCVQHZRNTE-MRXNPFEDSA-N 317.360 2.810 0 40 DFAB Cc1cc(C)cc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c1 58277789 HZQLMGWEHRHIAG-CYBMUJFWSA-N 314.351 2.917 0 40 DFAB C[C@H](CNC(=O)NCc1ccco1)N1CCc2sccc2C1 44917386 DRQOHMQEVKUQAJ-GFCCVEGCSA-N 319.430 2.587 0 40 DFAB Cc1cc([C@H](C)NC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc(C)c1F 97107972 ABOJBWAFUDCISY-BFHYXJOUSA-N 308.397 2.916 0 40 DFAB Cc1ccccc1OCC(=O)Nc1ccn(Cc2ccccn2)n1 58332939 FSBNPWVOKSFOJT-UHFFFAOYSA-N 322.368 2.652 0 40 DFAB COC(=O)[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 58368129 UDLQIWAQXPNBBL-INIZCTEOSA-N 317.772 2.913 0 40 DFAB CCN(CC)c1ccc(C(=O)Nc2ncccc2OC)cn1 95393458 KSKAZNLIIFEJQB-UHFFFAOYSA-N 300.362 2.584 0 40 DFAB CCN(C(=O)CCn1cnc2ccccc2c1=O)C1CCCC1 45487964 YGBLBMSSOGEBGT-UHFFFAOYSA-N 313.401 2.578 0 40 DFAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2O)cc1 179641207 DVHAJJUHWYEXIU-UHFFFAOYSA-N 305.717 2.876 0 40 DFAB Cc1cccc(C2(CNC(=O)Cn3cncn3)CCCCC2)c1 46235385 OYLWTSFXHSGQTG-UHFFFAOYSA-N 312.417 2.605 0 40 DFAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccncc2)cc1 48344177 OYUSKKHTLACHNT-ZDUSSCGKSA-N 311.385 2.540 0 40 DFAB C[C@H](NC(=O)NCc1ccoc1)c1ccc2c(c1)CCC(=O)N2 46986851 FPDOQZUROCIURY-NSHDSACASA-N 313.357 2.725 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@@H]1c1csc(C)n1 25310696 KSJGAEVWDGVYRH-AWEZNQCLSA-N 303.387 2.664 0 40 DFAB COc1ccc(-n2nnnc2SCc2csc(C)n2)cc1 3501702 XZQJDLNLXGPTKH-UHFFFAOYSA-N 319.415 2.728 0 40 DFAB CCN(CC)C(=O)C(=O)c1cc(Br)ccc1OC 49928368 UQAHKTFCQPPVIP-UHFFFAOYSA-N 314.179 2.509 0 40 DFAB C[C@H](NC(=O)CSc1nnc2ccccn12)c1cccs1 5212886 IDYIQEDXPVCCGZ-JTQLQIEISA-N 318.427 2.760 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCCC[C@@H]2CC(N)=O)o1 65565410 WJNVGCXQALFSHK-IWWABMCGSA-N 316.401 2.673 0 40 DFAB CC1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1 21870740 JNZFHMOLPIDQFH-UHFFFAOYSA-N 300.402 2.614 0 40 DFAB COCCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 66331094 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COc1ccccc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 82087138 LJQXZRMULZUAFB-GFCCVEGCSA-N 310.353 2.930 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)s1 69520958 CMPGMJRYFFCFGC-STQMWFEESA-N 307.463 2.713 0 40 DFAB COC(=O)CCCNC(=O)N1CC=C(c2ccc(C)cc2)CC1 9502113 ACVPORRJWXYMKA-UHFFFAOYSA-N 316.401 2.747 0 40 DFAB COc1cccc(N2CC[C@@H](CNC(=O)C[C@H]3C=CCC3)C2)c1 69632392 GISGABLSVYRIQG-HOTGVXAUSA-N 314.429 2.994 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1C 69773622 QJLJASTXYRDUMY-DLBZAZTESA-N 303.450 2.824 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O 71880419 LPEIQZJBGWUVHE-IAGOWNOFSA-N 320.408 2.810 0 40 DFAB Cc1nc(C(=O)N2CCN(Cc3ccccc3F)CC2)cs1 71833043 WXCMRJWIELKLTH-UHFFFAOYSA-N 319.405 2.549 0 40 DFAB CCCCc1nc(CN2CCc3c(ncn3C3CC3)C2)no1 71878892 IMXWTGUQJQJLOP-UHFFFAOYSA-N 301.394 2.502 0 40 DFAB C[C@@H]([C@@H](C)NCc1cn2cc(Cl)ccc2n1)n1cccn1 69810547 AVROSIGQMZIIIQ-NEPJUHHUSA-N 303.797 2.924 0 40 DFAB COCCOc1ccc(CNC[C@H]2CCCn3ccnc32)cc1 83911792 JMXDRRGHOVGDKK-MRXNPFEDSA-N 315.417 2.576 0 40 DFAB C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1 95965093 WXUSTKGXERZYNN-LLVKDONJSA-N 306.797 2.976 0 40 DFAB C[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1Cl 95967787 PKIPIKLJFLARTB-OLZOCXBDSA-N 313.848 2.766 0 40 DFAB Cc1csc(CNc2ccccc2CN2CCNC2=O)n1 97051499 BBYVNGSWWYSLKY-UHFFFAOYSA-N 302.403 2.589 0 40 DFAB CC(C)C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccccn1 97038977 UCJUAKTYEYRFPV-NVXWUHKLSA-N 320.433 2.681 0 40 DFAB C[C@H]1COc2ccccc2N1C(=O)[C@H]1Cc2ccccc2C(=O)O1 95962671 UXNBJKYZQFESMI-YVEFUNNKSA-N 323.348 2.582 0 40 DFAB C[C@H]1C[C@H](OC(=O)CCC(=O)c2ccc(Cl)s2)C(=O)O1 95955997 JCFIXBWVTVLCKB-CBAPKCEASA-N 316.762 2.612 0 40 DFAB CN(C)c1cc(CNC(=O)c2cccnc2)c2ccccc2n1 75386231 GNFCQOJQSFHGTC-UHFFFAOYSA-N 306.369 2.626 0 40 DFAB Clc1ccc(-c2n[nH]cc2CNCCn2cccn2)cc1 75572716 XXAGGLZZWKUTPR-UHFFFAOYSA-N 301.781 2.716 0 40 DFAB CC(C)n1ccc(CNC(=O)N[C@H](C)CCc2cccn2C)n1 76087971 VXVHFJOCDZJXAH-CQSZACIVSA-N 317.437 2.623 0 40 DFAB O=C(O)CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O 33558947 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CC[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1nc(C)n[nH]1 81859903 KAEJTJRZCYYSCA-KGLIPLIRSA-N 316.430 2.711 0 40 DFAB Cc1ccc(CCNC(=O)CCn2ncc3c(C)cccc32)o1 40758463 YOTITPCAZMJWKF-UHFFFAOYSA-N 311.385 2.995 0 40 DFAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCCC2)o1 41637590 QPXHGORAAZASEQ-NSHDSACASA-N 304.375 2.583 0 40 DFAB COc1cccc2c1C[C@@H](NC(=O)c1c(C)nsc1C)C2 575603536 RDWKRUDENCRZJV-LBPRGKRZSA-N 302.399 2.666 0 40 DFAB O=C(Cc1ccccc1O)N1CCC[C@H]1C[C@H](O)c1ccco1 96469203 OBBVVIILJCWKNB-HOCLYGCPSA-N 315.369 2.642 0 40 DFAB Cn1cc(N2CCC[C@@H](Oc3ccc(F)cc3Cl)C2=O)cn1 96428793 RKTVBAHLRKIUIG-CQSZACIVSA-N 323.755 2.787 0 40 DFAB CCOc1ccc([C@H]2Cn3ncc(C(=O)O)c3N2)cc1Cl 96530325 BMSWXWLKYBHYDK-LLVKDONJSA-N 307.737 2.800 0 40 DFAB Cc1cc(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)on1 96405342 SVWLAXMKXCAODA-UHFFFAOYSA-N 320.349 2.937 0 40 DFAB C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cnn2ncccc12 582880068 TZMGNXHZOHXTOB-DZGCQCFKSA-N 306.369 2.748 0 40 DFAB C[C@H](Sc1nnc(N)s1)c1cn(-c2ccccc2)nn1 96471877 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O=C(Cc1cccs1)Nc1cccc(N2CCOC2=O)c1 31927923 FCEBIBYUKDFMSH-UHFFFAOYSA-N 302.355 2.886 0 40 DFAB O=C(Nc1ccncc1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 69419949 VLDFYLVTEJMSFU-INIZCTEOSA-N 324.384 2.508 0 40 DFAB CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)c(C)o1 30543182 QUMCPBHPBBJWJZ-HNNXBMFYSA-N 314.341 2.961 0 40 DFAB COc1cc(CNCc2ccc(C)nc2)cc(OC)c1OC 47826020 QRSMXZRFKUNUJN-UHFFFAOYSA-N 302.374 2.706 0 40 DFAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccccn2)c1 48325465 KBHXMWLTASZOGC-ZDUSSCGKSA-N 311.385 2.540 0 40 DFAB COCc1csc(NC(=O)N(C)[C@@H](C)c2cccnc2)n1 76082107 XWUOWULGMWEUQQ-JTQLQIEISA-N 306.391 2.909 0 40 DFAB O[C@H]1CCCC[C@@H]1N1CCN(CCSc2ccccc2)CC1 95976589 INCWOQIAXSPPAW-ROUUACIJSA-N 320.502 2.700 0 40 DFAB COC(=O)c1coc(C(=O)N2CCCc3c(F)ccc(F)c32)c1 97376331 GXISNKGZPVMKPF-UHFFFAOYSA-N 321.279 2.937 0 40 DFAB Cc1ccc(CN2CC([C@H](C)C(=O)O)C2)cc1Br 97902280 XBLBPPKWEOGKNE-JTQLQIEISA-N 312.207 2.910 0 40 DFAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)CC(C)C)[C@@H]1CO 1772595064 UIIMCLVWFSHJOT-BRWVUGGUSA-N 312.498 2.610 0 40 DFAB CC[C@H](CN1CCCC1)NC(=O)Cc1ccc2c(c1)CCC2 12362831 TWCZAPAOZYKTIK-GOSISDBHSA-N 300.446 2.708 0 40 DFAB CC(=O)c1cccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 17085396 VSZWFYWSONWLOG-INIZCTEOSA-N 308.337 2.633 0 40 DFAB Cc1cc(O)nc([C@H]2CCCN2C(=O)c2sc(C)nc2C)n1 19118153 FBEJVTVWQPYVKP-LLVKDONJSA-N 318.402 2.541 0 40 DFAB O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2ccncc2)N1 19372610 PHUMSRSVMFFUMJ-AZUAARDMSA-N 321.424 2.720 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 12138979 XUUMJMMQAPWYAE-GRDNDAEWSA-N 305.418 2.607 0 40 DFAB CC(C)C[C@@H]1NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 2639647 CDOBTFRONBLQFD-ZDUSSCGKSA-N 310.781 2.685 0 40 DFAB Cc1nc2ccc(NC(=O)CN3CCSC3=O)cc2s1 5108880 JIIWMKUGKAQSNT-UHFFFAOYSA-N 307.400 2.712 0 40 DFAB Cc1cc(C)cc(NC(=O)c2cnc3scc(C)n3c2=O)c1 4121182 OUJHYDAFERXMEI-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB CCCCCN[C@H](CC(=O)Nc1cc(C)ccc1C)C(=O)O 4280119 PWMYPFIDQRAGCH-OAHLLOKOSA-N 306.406 2.865 0 40 DFAB COc1ccc(N2C[C@H](NC(=O)c3ccc(C)cc3)CC2=O)cc1 5195224 LABKFVBKDVNICJ-OAHLLOKOSA-N 324.380 2.539 0 40 DFAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 23105459 VQCYKUKGLMYLGU-HNNXBMFYSA-N 318.442 2.718 0 40 DFAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1CC1CCCC1 2298048322 FNKHYPVRLDMEIV-UHFFFAOYSA-N 304.777 2.843 0 40 DFAB CCc1nnc(SCCCOc2cccc(C(=O)O)c2)n1C 8731685 AJHPBVFUCVAIQN-UHFFFAOYSA-N 321.402 2.637 0 40 DFAB C[C@H](CCN1CCCC1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 97228824 XNGQTXSFNRSWTA-CVEARBPZSA-N 323.481 2.652 0 40 DFAB CC(C)N1C[C@H](C(=O)Nc2nc(C(C)(C)C)cs2)CC1=O 40073595 KYUHLHUSPCCULJ-SNVBAGLBSA-N 309.435 2.636 0 40 DFAB C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccn1 31257047 SUCXPWFZEHRYLV-GFCCVEGCSA-N 316.405 2.962 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1cn(-c2ccccc2)nn1 31873743 CXANGKMHCGTDKR-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1 310781 KMQNEDMNWZKTSS-UHFFFAOYSA-N 303.811 2.960 0 40 DFAB C[C@@]1(C(=O)Nc2ccccc2-n2cncn2)CC1(Cl)Cl 32796627 AJOHZTFESOFPMY-LBPRGKRZSA-N 311.172 2.790 0 40 DFAB CC(=O)N1CCc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc21 21897135 FUNCFPCOEXZQOO-UHFFFAOYSA-N 320.352 2.724 0 40 DFAB COc1ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c(O)c1 525651 KUZBTJOJBWZCCX-UHFFFAOYSA-N 314.337 2.988 0 40 DFAB biogenic C[C@H](Cc1ccccc1Cl)NC(=O)CCNc1ncccn1 53333593 YQCBAOBEKDRHLV-GFCCVEGCSA-N 318.808 2.679 0 40 DFAB O=C(Cc1ccc(Br)cc1)N1CCO[C@H]2CCC[C@H]21 53382922 GEKMZKDBNSXRBO-KGLIPLIRSA-N 324.218 2.772 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(NCCOC)n1 22459559 AGWMLPBCAXNDNN-UHFFFAOYSA-N 323.418 2.990 0 40 DFAB CC1(C)COCCN1C(=O)c1ccc(Br)cc1F 42372077 TUVGGYWACYPOTN-UHFFFAOYSA-N 316.170 2.839 0 40 DFAB OCC[C@@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 78365022 CFKRRTYNORAWOM-AWEZNQCLSA-N 320.396 2.901 0 40 DFAB COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 78847147 QLGDICPAVBAGHR-AWEZNQCLSA-N 317.410 2.873 0 40 DFAB c1cc(CNCCCCn2ccnc2)c2c(c1)OCCCO2 79923422 KHYHMDRHUNDTNR-UHFFFAOYSA-N 301.390 2.614 0 40 DFAB CC(C)CCNC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 42905832 XDVMPZSRIZHGOL-AWEZNQCLSA-N 315.421 2.664 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2S(=O)(=O)Nc1ccccc1 4706533 SUNRZRFCJHTXTD-WOSRLPQWSA-N 307.415 2.822 0 40 DFAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)NC(N)=O)ccc21 8724580 MTMOZBXKCCWXPN-NSHDSACASA-N 324.384 2.810 0 40 DFAB COc1cc(CN[C@H](C)c2ccccn2)cc(OC)c1OC 25358853 NNFJPSRVWARJTQ-GFCCVEGCSA-N 302.374 2.958 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCCCCC2)cc1 20482499 TYLGWPBYMZXNFT-UHFFFAOYSA-N 304.434 2.620 0 40 DFAB CC(C)CCc1noc(Cn2nc(-c3cccs3)oc2=O)n1 58159807 YBXQWFPKHKCXST-UHFFFAOYSA-N 320.374 2.585 0 40 DFAB NC(=O)[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 10268200 SIMGGDTVXCHCQP-KRWDZBQOSA-N 308.381 2.522 0 40 DFAB CCn1cnnc1CNC(=O)c1ccccc1-c1ccccc1 48239408 BBRIIXHAXLSTJZ-UHFFFAOYSA-N 306.369 2.895 0 40 DFAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 10590755 KFYPPRDTOFDKQV-UHFFFAOYSA-N 324.427 2.806 0 40 DFAB Cc1noc(COC(=O)c2cc(C(F)(F)F)ccc2F)n1 97014985 HVVZOVGLFJKPMR-UHFFFAOYSA-N 304.199 2.893 0 40 DFAB Cc1cccc(OCCN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 12772854 OYGRXFWNHXURAY-UHFFFAOYSA-N 323.396 2.742 0 40 DFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1O 3316267 KJFRDAVKHPYVPA-UHFFFAOYSA-N 311.337 2.528 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)sc1C 72297392 LZVWMLDWMANUOF-TZMCWYRMSA-N 318.446 2.924 0 40 DFAB CC(C)Cc1ccc(C(=O)C2CCN([C@@H](C)C(N)=O)CC2)cc1 46087358 LSEUXVRGNBXNGA-AWEZNQCLSA-N 316.445 2.654 0 40 DFAB CC[C@H](C)NC(=O)CCNCc1ccccc1Br 37997134 IMBYNIPIRBLODQ-NSHDSACASA-N 313.239 2.844 0 40 DFAB Cn1ccnc1C[C@H]1CCCN(Cc2cccc3cn[nH]c23)C1 97139269 IZCOVISFUVEPSP-CQSZACIVSA-N 309.417 2.751 0 40 DFAB CCN(C(=O)COC(=O)c1cccc(C)c1O)c1ccccc1 3448312 NDSZYIVLQUUNIE-UHFFFAOYSA-N 313.353 2.911 0 40 DFAB O=C(CCn1ccnc1[C@H](O)c1ccccc1)Nc1ccccc1 97114080 FDTOVUYXERMXBV-GOSISDBHSA-N 321.380 2.994 0 40 DFAB CCn1c(=O)n(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc21 12933592 OPKTZNIINXVIIJ-AWEZNQCLSA-N 323.396 2.700 0 40 DFAB CON(C)C(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 13006561 SMLRODWTRXXKHL-ZHACJKMWSA-N 313.401 2.890 0 40 DFAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccccc1)C2=O 13061720 PNVYLTRVKDZDDC-UHFFFAOYSA-N 315.417 2.577 0 40 DFAB Cn1cc(NC(=O)c2cccnc2SC(F)(F)F)cn1 49033265 KMKALGVENZADNL-UHFFFAOYSA-N 302.281 2.679 0 40 DFAB CC[C@@H](C)[C@@H](NCc1ccc2cc(OC)ccc2c1)C(N)=O 97123789 UZEVQPHLLFSUFY-SJKOYZFVSA-N 300.402 2.838 0 40 DFAB CCN(CC)C(=O)CNC(=O)Nc1cc(Cl)ccc1Cl 49130503 WJUQDIFVAISLAD-UHFFFAOYSA-N 318.204 2.983 0 40 DFAB Cc1ccc([C@H](O)CN2CCN(c3ccccn3)CC2)c(C)c1 49420860 ADRYKYWKFBIBEK-GOSISDBHSA-N 311.429 2.554 0 40 DFAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 13737179 MKLRNASUCHPLJG-CQDKDKBSSA-N 305.374 2.763 0 40 DFAB Oc1nc2sc3c(c2c2nc(-c4cccnc4)nn12)CCC3 13722630 QUIXHMGARLZXPW-UHFFFAOYSA-N 309.354 2.595 0 40 DFAB CN(C)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 65576052 OBOBZRDVVAWEIP-UHFFFAOYSA-N 309.435 2.901 0 40 DFAB CCc1ncc(C(=O)NCCN2CCc3sccc3C2)s1 65568863 MQGPKEJXUQWQRK-UHFFFAOYSA-N 321.471 2.555 0 40 DFAB CCCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 19796403 KSVVYVUQHLJTPA-UHFFFAOYSA-N 317.370 2.880 0 40 DFAB CCOC(=O)[C@@]12CC[C@H](O)C[C@@H]1CCN(Cc1ccccc1)C2 6697771 DKADCGQBXOFPPY-JENIJYKNSA-N 317.429 2.603 0 40 DFAB C[C@@H](CN1CCCC1=O)Nc1nc(C(F)F)nc2ccccc12 66454563 JPGPHHLQZSDOEW-JTQLQIEISA-N 320.343 2.990 0 40 DFAB O=C(CCCn1cncn1)N(Cc1ccccc1)CC1CCC1 66401491 NCKUDHOEYCBQPP-UHFFFAOYSA-N 312.417 2.887 0 40 DFAB CC(C)NS(=O)(=O)Cc1ccc(CNC2CCCC2)cc1 66875554 LETVRKWYOLDFDF-UHFFFAOYSA-N 310.463 2.547 0 40 DFAB CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1F 66947206 CXVSZUFYTHSHQC-IMJJTQAJSA-N 304.409 2.872 0 40 DFAB C[C@H](c1ccccc1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 15603567 FTANZMKSUZCIMC-CYBMUJFWSA-N 317.410 2.923 0 40 DFAB COCCNC(=O)CCc1sc(C)nc1-c1cccs1 19819544 WMJHKYJJYNGCRN-UHFFFAOYSA-N 310.444 2.875 0 40 DFAB O=C(/C=C/c1ccc2ccccc2n1)NCCCn1ccnc1 72525313 LYMRWGJTTQQJGU-CMDGGOBGSA-N 306.369 2.651 0 40 DFAB CCN(CC)C(=S)SCc1cc(=O)n2ccsc2n1 7777573 RGZSBORLQYUSQN-UHFFFAOYSA-N 313.473 2.616 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)N2CCC[C@@H](C)C2)cc1 7705125 RYNPARFWBHWIDI-GFCCVEGCSA-N 306.431 2.996 0 40 DFAB COC(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68724741 UEJJWPZMBWSHBG-ZJUUUORDSA-N 316.184 2.776 0 40 DFAB CCOC(=O)c1ccc(Nc2nc3nc(C)cc(C)n3n2)cc1 16755323 CHZJCWMZTNJCJB-UHFFFAOYSA-N 311.345 2.661 0 40 DFAB Cc1occc1C(=O)NCC(=O)Nc1ccc2ncccc2c1 69394123 WHLFFJINIADQON-UHFFFAOYSA-N 309.325 2.505 0 40 DFAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)Cn2ccnc2)cc1 8395518 NIQANTCYLIVJMU-KRWDZBQOSA-N 322.364 2.554 0 40 DFAB CCn1ncc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1C 17066397 YKDWMMPVCCDVNE-INIZCTEOSA-N 324.363 2.998 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69512552 JUWFYPVOUNGNPN-CABCVRRESA-N 316.401 2.504 0 40 DFAB Cc1cccc(N2CCN(c3ncnc4[nH]ccc34)CC2)c1C 82359059 PXRQJFURHRDGLJ-UHFFFAOYSA-N 307.401 2.901 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@@H](C)C(=O)Nc1ccccc1 69813014 NJQPRPMZNZLBKI-LAJNKCICSA-N 306.387 2.567 0 40 DFAB c1coc(-c2nnc(CN3CCCC[C@@H]3Cn3cccn3)o2)c1 69969691 XHFXMUTXIWUQRE-CYBMUJFWSA-N 313.361 2.581 0 40 DFAB Cc1cc(C)c(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)c1 95446431 JBNYUDHFPQPZLF-KBPBESRZSA-N 303.406 2.730 0 40 DFAB CC(C)Oc1ccccc1NC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 95446505 PZVKSLCVLBPMNY-QWHCGFSZSA-N 319.405 2.592 0 40 DFAB CCNC(=O)[C@H](C)Sc1nc(NCC)c2ccccc2n1 8938541 WAPCADRHYSOTHX-JTQLQIEISA-N 304.419 2.678 0 40 DFAB Cc1nc(C(=O)NCc2nnc(C(C)C)s2)c2ccccn12 95410162 LHONCVSORLUXGX-UHFFFAOYSA-N 315.402 2.548 0 40 DFAB COC(=O)C1=CN(C(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 95626823 KJSAFCCPLVCJJQ-VIFPVBQESA-N 309.284 2.863 0 40 DFAB in-vitro Cc1nc(CNC(=O)NCc2cccc(N(C)C)c2)sc1C 73941063 JKFNIFJWKUVYGK-UHFFFAOYSA-N 318.446 2.825 0 40 DFAB Cc1nnc(CNC(=O)Nc2ccc(F)cc2F)n1C1CC1 95942208 BFZLORLHECZLJE-UHFFFAOYSA-N 307.304 2.521 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)s2)C1 95969517 LQGMXVJZEBHCRH-SECBINFHSA-N 301.795 2.657 0 40 DFAB C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CCOC1 95967844 BARVRJBDFHTCCF-SKDRFNHKSA-N 302.187 2.898 0 40 DFAB CC(C)c1ncc(C(=O)N[C@@H](CO)Cc2ccccc2)s1 95981024 DOVZUTFVSRIWIS-CYBMUJFWSA-N 304.415 2.600 0 40 DFAB CSc1nsc(NC(=O)N2CCc3ccccc3CC2)n1 89496638 KSJVTUCOSVMHRI-UHFFFAOYSA-N 320.443 2.893 0 40 DFAB CC(=O)c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 75140319 NREQROMOMUSFAV-UHFFFAOYSA-N 308.288 2.995 0 40 DFAB O=C(Cc1cccc(Cl)c1)NCC[S@](=O)c1ccccc1 75136921 FYYKMFVYYUEHIB-OAQYLSRUSA-N 321.829 2.807 0 40 DFAB O=C(Nc1ccnn1Cc1ccccc1)c1cnc2n1CCCC2 89840912 GOFAKZRYAUCJAE-UHFFFAOYSA-N 321.384 2.717 0 40 DFAB Cc1c(NS(=O)(=O)c2cccc(F)c2C)cccc1C(=O)O 76081926 RVVPMNYSGBAOLM-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccno2)o1 21001109 FDBJVTPNBKUEAR-UHFFFAOYSA-N 316.342 2.846 0 40 DFAB Cc1nc(C(=O)NCc2ccccc2)cc([C@@H]2CCCN(C)C2)n1 72382869 VLUGILJOPQJAPK-MRXNPFEDSA-N 324.428 2.524 0 40 DFAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)CCc1ccccc1 71979725 DGKFAMUWMMOBOP-HNNXBMFYSA-N 317.385 2.592 0 40 DFAB COc1ccc2cc(NC(=O)CCc3cnn(C)c3)cnc2c1 72247443 AYSMEPDFXWRMMG-UHFFFAOYSA-N 310.357 2.548 0 40 DFAB COc1ccc([C@H](CO)N(C)C[C@H](O)c2cccc(F)c2)cc1 79091258 JQMOQVIVTBVXAD-ROUUACIJSA-N 319.376 2.533 0 40 DFAB Cc1cc(N2CCCCC2)nc2sc3c(=O)n(C)cnc3c12 71279564 QZZQVWWLXIJRJE-UHFFFAOYSA-N 314.414 2.842 0 40 DFAB CCCN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 34872858 MAUUKDIDGHQQOE-UHFFFAOYSA-N 324.490 2.637 0 40 DFAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccccc3)CCN12 77266855 RFIRLXPXSUUVBJ-GOSISDBHSA-N 313.445 2.941 0 40 DFAB biogenic,in-vitro Cc1cc(N2C[C@@H](C(=O)O)CC2=O)cc(C)c1Br 45889603 FTFLFGSVAXMLDC-VIFPVBQESA-N 312.163 2.503 0 40 DFAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C(=O)O)c1ccccc1 40267941 KRGASCRLJWDHNG-GOSISDBHSA-N 322.364 2.892 0 40 DFAB Cc1nc2ncnn2c(N2CCC[C@H]2COc2ccccc2)c1C 570914845 XJTBMUHSPXKKPS-HNNXBMFYSA-N 323.400 2.789 0 40 DFAB CC[C@@H](C)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386251 XOFQVUJPEVKDTA-IUODEOHRSA-N 314.385 2.601 0 40 DFAB CC(C)c1noc([C@H]2CCCCN2C(=O)c2cccnc2)n1 41122828 VXWBNINBLCMTTK-CYBMUJFWSA-N 300.362 2.955 0 40 DFAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C 225554109 AJTLLQSOVVHRLB-LBPRGKRZSA-N 310.825 2.992 0 40 DFAB COC(=O)CCc1csc(C[C@@H](C)n2cc(Cl)cn2)n1 195230534 PVGCTZHRDDNDOF-SECBINFHSA-N 313.810 2.902 0 40 DFAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H]1CCCO1 224911335 HNYRYGRWWRIMPC-CXAGYDPISA-N 303.402 2.628 0 40 DFAB CC(C)(C)C(=O)OCCCCn1c(CO)nc2ccccc21 90728517 NOVYRSPAAGNFDB-UHFFFAOYSA-N 304.390 2.898 0 40 DFAB CCc1nn(C)c(CC)c1CN[C@@H]1CCCc2nc(C)ncc21 97229821 PVGYFNSIGXWAJD-MRXNPFEDSA-N 313.449 2.811 0 40 DFAB Cc1ccc(C(=O)C2CCN(C(=O)c3cncc(O)c3)CC2)cc1 332164173 ZQQRWRINIZMZPC-UHFFFAOYSA-N 324.380 2.831 0 40 DFAB Cc1ccc(NC[C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)nc1 97200531 SQKYKRBRQCHUPW-ZDUSSCGKSA-N 313.405 2.584 0 40 DFAB O=C(N1C[C@@H]2CC[C@H]1C2)C1(c2cccc(F)c2)CCOCC1 96402358 JUMBUXSNHNCTRW-CJNGLKHVSA-N 303.377 2.885 0 40 DFAB COc1ccc([C@H](CO)N(C)C(=O)N[C@@H](C)c2ccco2)cc1 95449768 VBESNWNGNRALSY-WFASDCNBSA-N 318.373 2.724 0 40 DFAB Cc1nc(C)c(C(=O)NCCCn2ccc3cccnc32)s1 96353428 SVJJHGYYLIWEJR-UHFFFAOYSA-N 314.414 2.930 0 40 DFAB COC(=O)C1(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 97379825 YRLGAQMQULTLJE-UHFFFAOYSA-N 302.355 2.702 0 40 DFAB C[S@@](=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccccc1 96445406 FYEFZITVAXOHCL-RPHLEKHZSA-N 317.410 2.619 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1ccccc1 96118121 SROZSKWZVZEEGQ-UHFFFAOYSA-N 321.380 2.916 0 40 DFAB CC(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)O)nn1C(C)(C)C 96402682 GDVRBXCUVFJQGO-ZDUSSCGKSA-N 321.421 2.841 0 40 DFAB O=C(NCCCO[C@H]1CCOC1)Nc1cc(F)ccc1Cl 96462406 HZDZNBAXQLDTDY-NSHDSACASA-N 316.760 2.796 0 40 DFAB CN(C)CCN(C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500295 ZINMEVDQBBQHKD-UHFFFAOYSA-N 321.755 2.967 0 40 DFAB O[C@@H]1CCCOC12CCN(CCCOc1ccccc1F)CC2 257305688 SRBBPDZJIYEKPJ-QGZVFWFLSA-N 323.408 2.601 0 40 DFAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCCCCC1 256045723 ARDONTXGLFFYEB-UHFFFAOYSA-N 320.780 2.999 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCOc2ccccc2F)C1 257276730 NUWSZNSEKOXJEV-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN2c2ccncn2)n1 257253360 JYOSIGSXUCMXJX-AWEZNQCLSA-N 321.388 2.615 0 40 DFAB O=C(c1cnc(C2CC2)nc1)N1CCC(Cc2ccncc2)CC1 257203278 APHRCOXOOJFEJF-UHFFFAOYSA-N 322.412 2.844 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257311255 UIRTXLHBIZCCOQ-CQSZACIVSA-N 316.430 2.765 0 40 DFAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnc(C(=O)O)cn1 263226839 AMZVUPDOLQKCGZ-UHFFFAOYSA-N 315.329 2.565 0 40 DFAB CCOC[C@H]1CCN(C)C2(C1)CN(Cc1ccc(C)s1)C2 585102690 GKELXRNIWZBUMW-HNNXBMFYSA-N 308.491 2.989 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2[nH]c3ccccc3[nH]2)c1 65537724 ACPNOFIBEZVIJU-LBPRGKRZSA-N 323.352 2.593 0 40 DFAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 69951702 USDZCEVANCWRAK-HUUCEWRRSA-N 305.422 2.739 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c2[nH]ncc2c1 69460250 FQHWTOLVIOTWSS-OAHLLOKOSA-N 323.400 2.854 0 40 DFAB C[C@@H](NC(=O)N1CCC(CO)CC1)C(C)(C)c1ccccc1 71795686 UKHWPVDUYKCRJN-CQSZACIVSA-N 304.434 2.767 0 40 DFAB Cc1cc(CN2CCN(CCCOc3ccccc3)CC2)no1 61801075 KVFYGMNVNVFZNN-UHFFFAOYSA-N 315.417 2.570 0 40 DFAB C[C@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(C(F)(F)F)cc1 57436609 FGCXMZRTKDKSJF-SECBINFHSA-N 316.323 2.579 0 40 DFAB O=C(NC1CCOCC1)c1ccc(NCc2ccccn2)cc1 583974191 VHGHRBAGOKIOTF-UHFFFAOYSA-N 311.385 2.603 0 40 DFAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)nn1 585234300 GPALHZKCZOIAFT-CYBMUJFWSA-N 314.364 2.779 0 40 DFAB CC(=O)SC1([C@@H](C(N)=S)c2ccccc2)CCN(C)CC1 5500843 ZSPJRXXCFYNHSS-CQSZACIVSA-N 322.499 2.800 0 40 DFAB Cc1c(O)ccc2c(COC(=O)c3ccccn3)cc(=O)oc12 5692539 VTSQWXLEZDSMPF-UHFFFAOYSA-N 311.293 2.559 0 40 DFAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 12049501 GQZJCUOABUVDPA-DOMZBBRYSA-N 314.410 2.510 0 40 DFAB Cc1nc(-c2ccc(CN3C(=O)[C@@H](C)NC3=S)cc2)cs1 14121145 SEYQFXPRCYWMBZ-SECBINFHSA-N 317.439 2.724 0 40 DFAB Cc1nccn1CC1(O)CCN(C[C@@H](C)c2ccccc2)CC1 19287926 XFZIGYCQSMOXDO-MRXNPFEDSA-N 313.445 2.822 0 40 DFAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(C)=O 2536840 KQKDLRDWGVKCGW-IZZDOVSWSA-N 309.368 2.950 0 40 DFAB O=C(O[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 78768712 MRKOSQFGIRLPFM-CVEARBPZSA-N 322.426 2.896 0 40 DFAB Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@H](N)C[C@H]1C 521394662 ZDOIZMVVSARPKD-PWSUYJOCSA-N 324.471 2.710 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1ccccc1)C2=O 4514796 CHSKKCJICJAODC-DYVFJYSZSA-N 302.374 2.566 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 5549971 SNEBZPDUCIQGTB-UHFFFAOYSA-N 300.333 2.709 0 40 DFAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)nc1 238818971 CDVNZFKYLPHFTC-CQSZACIVSA-N 300.358 2.893 0 40 DFAB O=C(Nc1cccs1)N[C@H](Cn1nccn1)c1ccccc1 238874394 NRIYHFOUNLDLHO-CYBMUJFWSA-N 313.386 2.903 0 40 DFAB CCc1ccc2c(C3CN(C(=O)C4(F)CCC4)C3)ncn2c1 1565549936 KCUQSOAIDCSQHO-UHFFFAOYSA-N 301.365 2.715 0 40 DFAB Cc1cc(=O)[nH]c2nnc(SCc3cccc(Cl)c3)n12 4250026 GMZINCAAFLBPTG-UHFFFAOYSA-N 306.778 2.672 0 40 DFAB CCOC(=O)c1ccoc1CNc1ccc(F)c(C(=O)OC)c1 40061329 WOTMRMUOYZQKDN-UHFFFAOYSA-N 321.304 2.994 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 20119734 PFEZIHWWBCXKON-UHFFFAOYSA-N 316.788 2.858 0 40 DFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccccc1 31192415 QCIXRCSJOMSILI-UHFFFAOYSA-N 322.408 2.780 0 40 DFAB Cc1cc(C)n(CC(=O)Nc2ccc(N3CCCCC3)nc2)n1 40485644 UCCGIPCJAWKOLM-UHFFFAOYSA-N 313.405 2.524 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccco1 40466439 NNHCURCMSLKJNC-KRWDZBQOSA-N 310.353 2.860 0 40 DFAB CCCNC(=O)[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 51003363 SNNSHVLURVGEND-AWEZNQCLSA-N 324.852 2.957 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1cccnc1 51341820 BJRKIFKRXYVWAD-ROUUACIJSA-N 318.380 2.687 0 40 DFAB Nc1nc(COC(=O)COC2CCCCC2)nc2ccccc12 51697572 UGBIDCOLNFOIFR-UHFFFAOYSA-N 315.373 2.605 0 40 DFAB Cc1nc2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2nc1C 32883917 JZGRQQRCCHLKOB-UHFFFAOYSA-N 321.384 2.960 0 40 DFAB COc1ccc(NC(=O)c2ccc(-c3nc(C)no3)cc2)cn1 32905822 UDLHTHHNVRQWNG-UHFFFAOYSA-N 310.313 2.701 0 40 DFAB Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc21 548757 VCLJEWAWSBBLRN-UHFFFAOYSA-N 311.410 2.982 0 40 DFAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1C(=O)O 33461542 AKFWNRHFJBWVIN-SECBINFHSA-N 322.411 2.869 0 40 DFAB C[C@@H]1CCCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)C1 104279605 UCHZGLURTGJZSQ-CHWSQXEVSA-N 312.421 2.990 0 40 DFAB CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 23479766 WBBVEYYEHCGZMG-GASCZTMLSA-N 320.820 2.905 0 40 DFAB Cc1cc(O)c(C(C)C)cc1NC(=O)Cn1ccccc1=O 79072595 ZYWJLXCQDCTCSS-UHFFFAOYSA-N 300.358 2.624 0 40 DFAB Cc1csc(N2CCCN(C(=O)c3occc3C)CC2)n1 55759523 RJBCOYIKSKCAMX-UHFFFAOYSA-N 305.403 2.705 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1 57355525 OUJXBQFBTNWHRX-WMZOPIPTSA-N 314.429 2.999 0 40 DFAB CN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1 3254900 HVCWELMNCGYHCW-UHFFFAOYSA-N 324.808 2.870 0 40 DFAB CCN(c1cccnc1)S(=O)(=O)c1ccc2c(c1)CCC2 57875046 OOVDAGRREMKFKQ-UHFFFAOYSA-N 302.399 2.786 0 40 DFAB O=C(CCc1ccsc1)NCCOc1ccc2c(c1)OCO2 57841634 HSFUUNZWDUZCSL-UHFFFAOYSA-N 319.382 2.605 0 40 DFAB COc1ccc(C)cc1CCNC(=O)c1cc(Cl)cn1C 27139998 OQBNGWJMWFPXHP-UHFFFAOYSA-N 306.793 2.968 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)cc1 101275955 VFKSEAUUCBPLMD-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 36047988 LZZLIZSWBUUYLJ-UHFFFAOYSA-N 324.380 2.783 0 40 DFAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccnc(-n2ccnc2)c1 58209125 JMGWNHIRWBVOOM-HOTGVXAUSA-N 304.353 2.553 0 40 DFAB O=C(c1cccs1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721055 LTRCKSVFYODTNY-KCQAQPDRSA-N 307.415 2.547 0 40 DFAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)o1 58217749 JBGBIXKSLCLLAW-DCAQKATOSA-N 311.765 2.879 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)CCc1nc2ccccc2s1 58393191 VZKDZOBYOXFTEU-LBPRGKRZSA-N 304.415 2.866 0 40 DFAB O=C(CS(=O)(=O)C1CCCC1)NC1(c2ccccc2)CCC1 58430777 ZPYMPZDOCMBMCG-UHFFFAOYSA-N 321.442 2.539 0 40 DFAB CCN(CC)C(=O)[C@@H]1[C@@H](C(=O)N(CC)CC)[C@H]2C=C[C@H]1CC2 104185481 IIAFWZHOVHOMHU-VGWMRTNUSA-N 306.450 2.552 0 40 DFAB CC[C@H]1CN([C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 45752759 VUDJXIMMKAAFMN-JSGCOSHPSA-N 317.389 2.917 0 40 DFAB O=C(Nc1ccccc1-n1ccnc1)[C@H]1COc2ccccc2O1 45860009 QWGLHEGRASGMAW-QGZVFWFLSA-N 321.336 2.651 0 40 DFAB CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCc2ccccc21 29482734 SNXZSPKJYNHQIA-INIZCTEOSA-N 324.380 2.973 0 40 DFAB COCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12023741 VBZNVPNXBRSPBW-UHFFFAOYSA-N 321.380 2.802 0 40 DFAB Cc1sc2ncnc(OCC(=O)NCCC(C)C)c2c1C 3599855 ADBDPYNEXMBXCD-UHFFFAOYSA-N 307.419 2.849 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1ccc2c(c1)CCCC2 9193289 FAXRWEZQJAMMQB-UHFFFAOYSA-N 303.387 2.538 0 40 DFAB C[C@H](NC(=O)c1ccoc1)c1nc(Cc2ccc(F)cc2)no1 72588445 QVMFCEUDNZGKKN-JTQLQIEISA-N 315.304 2.884 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1F 4121569 KAZFOYIDQDXCRN-UHFFFAOYSA-N 318.279 2.902 0 40 DFAB Cc1csc2ncc(C(=O)Nc3cccc(Cl)c3)c(=O)n12 4121142 SQSBNJSPCLHYKO-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB COc1cccc([C@@H]2c3c(noc3C)C[C@@](C)(O)[C@H]2C(C)=O)c1 5274337 TYPCQOQQNFKMIN-FGTMMUONSA-N 315.369 2.636 0 40 DFAB CO[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc2c(c1)OCO2 4499432 RBOSXAXOBCGTNC-KRWDZBQOSA-N 301.342 2.601 0 40 DFAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 14095787 LWRUFJFIZSDIBA-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB CC(C)c1nccn1CCC(=O)N(C)Cc1ccc(O)cc1 84631243 PPKZTLZJAFFDCI-UHFFFAOYSA-N 301.390 2.761 0 40 DFAB Cc1cccc(CCCOC(=O)c2cccc(NC(N)=O)c2)n1 65536396 AJGSAGDQFBCIHJ-UHFFFAOYSA-N 313.357 2.670 0 40 DFAB CSc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)c1 14166678 LHFOIEMUSBNRMS-UHFFFAOYSA-N 303.387 2.580 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(C(N)=O)cc1 14198386 XXHIXEINDNVPHK-UHFFFAOYSA-N 308.337 2.932 0 40 DFAB O=C(CSc1cccc[n+]1[O-])NCC1CCCCCCC1 65731570 DZWDWHPVSZIEMA-UHFFFAOYSA-N 308.447 2.889 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COC(=O)CCOc1ccccc1 5560480 RLXMZYCGUJATMD-OAHLLOKOSA-N 319.401 2.790 0 40 DFAB CC(C)[C@@H]1NC(=O)N(Cc2ccc(Br)cc2)C1=O 15396571 OUWQJTUSYFQWOZ-NSHDSACASA-N 311.179 2.526 0 40 DFAB CCc1ccc(C(C)(C)CNC(=O)NCc2noc(C)n2)cc1 80152319 NERPVBZBNUWZBZ-UHFFFAOYSA-N 316.405 2.717 0 40 DFAB Brc1cc2c(cc1CSc1ncn[nH]1)OCO2 7154948 MTKASXUJRBKCSJ-UHFFFAOYSA-N 314.164 2.588 0 40 DFAB C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NC1CC1 7108775 LEUIXBBAFUTURE-ZETCQYMHSA-N 302.157 2.817 0 40 DFAB Cc1cccc(C2(NC(=O)CS(=O)(=O)C(C)C)CCCC2)c1 71793200 NTZFFLFQTNUSEL-UHFFFAOYSA-N 323.458 2.704 0 40 DFAB CC(C)c1noc(-c2ccc(NC(=O)N3CCOCC3)cc2)n1 71799550 HXQIOQXGKIJAFE-UHFFFAOYSA-N 316.361 2.724 0 40 DFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCCC2)c1 7339049 DTOZFOMQFCFILO-UHFFFAOYSA-N 317.433 2.593 0 40 DFAB Cc1cccn2c(=O)cc(CN(C)OCc3ccccc3)nc12 90565902 XOEUGBOOLJFEMX-UHFFFAOYSA-N 309.369 2.567 0 40 DFAB Cn1ccc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc43)ccc21 95473345 WXWGQOUENIGKFT-MRXNPFEDSA-N 319.364 2.992 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1F 71893683 BERVYUAUIBYTGO-DOMZBBRYSA-N 321.396 2.984 0 40 DFAB Cc1cccc(C)c1OCC(=O)NCc1nc2ccccc2[nH]1 69416019 VERYDBHODBLBOZ-UHFFFAOYSA-N 309.369 2.875 0 40 DFAB Cc1nc(Cl)cc(NCC[S@](=O)Cc2ccccc2)n1 71893755 XKXGROVAWYNMFP-HXUWFJFHSA-N 309.822 2.799 0 40 DFAB O[C@H](CN1CCC(CNCc2ccco2)CC1)c1ccccc1 69490769 SNKGLOWXHAFVRP-LJQANCHMSA-N 314.429 2.815 0 40 DFAB CC(C)c1csc(CNC(=O)N[C@H]2CC[C@@H](N(C)C)C2)n1 91706156 AHRHFBRXRQDKKY-NWDGAFQWSA-N 310.467 2.548 0 40 DFAB C[C@H](CN1CCOCC1)N[C@@H]1CC2(CCC2)Oc2ccccc21 95420337 BVOSVWKRAFEQBJ-NVXWUHKLSA-N 316.445 2.743 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncnc2ccccc12 69706042 ISWZYJCRMMFZKF-DLBZAZTESA-N 310.401 2.610 0 40 DFAB CCOCc1ccccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 69779251 FSXOEAADEUYGTE-LBPRGKRZSA-N 321.421 2.648 0 40 DFAB CCOC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 71908361 YZBPYLADMXRKEB-NSHDSACASA-N 302.330 2.895 0 40 DFAB COc1ccc(Br)c(CC(=O)N(C)CC(F)F)c1 95426770 KOCOYOUHBGCCOL-UHFFFAOYSA-N 322.149 2.724 0 40 DFAB Cc1cncc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)c1 95426586 MSCJLZKWLNSHLY-MRXNPFEDSA-N 308.341 2.580 0 40 DFAB Cn1nccc1CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 92790622 DAMLDEYAZWHPPK-ZDUSSCGKSA-N 320.462 2.748 0 40 DFAB Cc1ccc(CN(C)Cc2cc(=O)n3c(C)csc3n2)o1 9863799 YCGRSWUPUFOWRY-UHFFFAOYSA-N 303.387 2.598 0 40 DFAB CC[S@@](=O)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 95431227 JHYJZTSEWRGSDN-XYZCENFISA-N 318.236 2.853 0 40 DFAB COc1ccc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c(C)n1 95414210 UFVVNUAIRFTCIE-UHFFFAOYSA-N 324.331 2.788 0 40 DFAB CCSc1ccc(Cl)cc1C(=O)NCCc1nncn1C 84295621 GJVHPXZSIYOUJL-UHFFFAOYSA-N 324.837 2.553 0 40 DFAB COc1cccc(CC2CCN(C(=O)c3ccon3)CC2)c1 97107289 XCWVTUFGRMCCRE-UHFFFAOYSA-N 300.358 2.778 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1oc3ccccc3c1C)C2 97198888 NIFLCMRTRLSXCU-CYBMUJFWSA-N 309.369 2.991 0 40 DFAB O=C(O)c1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1 95956870 PIFFXZOWGXPQOU-UHFFFAOYSA-N 321.336 2.501 0 40 DFAB Cc1nnc2ccc(N3CCS[C@@H](c4ccccc4)C3)nn12 95973040 BPPVIHVEXPCPAY-CQSZACIVSA-N 311.414 2.727 0 40 DFAB COc1ccc(Cl)cc1CCNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 110681386 DTFIWVVIBGLCOQ-UMVBOHGHSA-N 324.808 2.510 0 40 DFAB Cc1cc([C@H](C)NC(=O)N(C)C[C@@H](O)C2CC2)cc(C)c1F 89587189 CRGSANNAEOLKJM-SWLSCSKDSA-N 308.397 2.916 0 40 DFAB NS(=O)(=O)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 75145710 YVUBQZBIBMBIMG-UHFFFAOYSA-N 317.395 2.520 0 40 DFAB Cc1ccc(NC(=O)CCOC(C)C)c(OCCN(C)C)c1 89623857 FLYRWXPCTKAQCD-UHFFFAOYSA-N 308.422 2.689 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1ccc(Cl)c2cccnc12 89938486 LWMNUIUZFIDEHE-NSHDSACASA-N 303.793 2.664 0 40 DFAB O=C(C[C@@H]1CC2(CCNCC2)Oc2ccccc21)NCC1CC1 306143775 YLUNGJOIBHJLIB-OAHLLOKOSA-N 314.429 2.591 0 40 DFAB Cc1cc(NC(=O)CCc2nc(-c3cccs3)no2)no1 32781033 JPDPRQIUTKDEKZ-UHFFFAOYSA-N 304.331 2.666 0 40 DFAB O=C1NCCCN(C(=O)Nc2ccccc2)[C@H]1Cc1ccccc1 517073468 XCEQUPFIJYEQIT-KRWDZBQOSA-N 323.396 2.652 0 40 DFAB c1cncc(CN2CCC[C@H]2c2nc(-c3ccncc3)n[nH]2)c1 72346448 YKMWFIKUQBDUPI-HNNXBMFYSA-N 306.373 2.599 0 40 DFAB COc1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 30984824 GNCRNCNCYOKZFF-AWEZNQCLSA-N 314.341 2.657 0 40 DFAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCc2cccc(O)c21 568348108 YNAKFRPPRSCNRI-ZDUSSCGKSA-N 321.380 2.657 0 40 DFAB CC(C)N(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](C)N 79404525 YIQASBBKTYHADB-FUHWJXTLSA-N 317.477 2.625 0 40 DFAB Cc1nn(C)c(NS(=O)(=O)c2ccc(Cl)s2)c1C 78612537 AZPZVBCWMKDOHY-UHFFFAOYSA-N 305.812 2.553 0 40 DFAB O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N1CCC[C@@H]1CO 74893867 PYJIIWNRJBKPOO-DOMZBBRYSA-N 310.344 2.582 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(C)n(C3CC3)c1C)C2 72279152 QWGJSDLAQNQCDP-AWEZNQCLSA-N 312.417 2.690 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 78441191 CGTFKMGKMVDWMH-MWLCHTKSSA-N 318.343 2.773 0 40 DFAB CCCNc1nc(N)c(C(=O)c2ccc3c(c2)OCO3)s1 72408137 ITEOAWLTHRCLLY-UHFFFAOYSA-N 305.359 2.507 0 40 DFAB C[C@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(OCC(N)=O)c1 75837949 KDQOTUCJNAVBIB-LXZKKBNFSA-N 302.418 2.704 0 40 DFAB CC(C)(C)[C@@H](CO)NC(=O)Nc1ccc(-c2ncco2)cc1 183545390 SXZXGBRDOISMNS-CYBMUJFWSA-N 303.362 2.870 0 40 DFAB O=C(O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 223177176 HRZQADMCWLRQCQ-UHFFFAOYSA-N 306.730 2.775 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)(C)C 223092371 VPHCCUMLBCQGSI-CYBMUJFWSA-N 320.433 2.737 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCN(CC(F)(F)F)CC1 44448765 BGZMPNGIBNCUHF-UHFFFAOYSA-N 312.744 2.722 0 40 DFAB C[C@H](C(=O)Nc1nc2c(s1)CCCC2)N1CCCCCC1=O 227115561 OMHZYHXHENOONJ-LLVKDONJSA-N 321.446 2.752 0 40 DFAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccncc1 225455592 BFFDDAGLANQWAE-UHFFFAOYSA-N 309.398 2.754 0 40 DFAB CCn1ccnc1C[S@](=O)c1cc(OC)c(OC)cc1C 81527014 FXRFOUMLSSJIBQ-OAQYLSRUSA-N 308.403 2.536 0 40 DFAB CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 222952903 XJNDQPGWZPLNML-VBKFSLOCSA-N 312.369 2.885 0 40 DFAB Cc1ccc(-c2noc([C@]3(C)CCC(=O)NC3)n2)cc1Cl 331617694 GGXKSMMSRQNKRI-OAHLLOKOSA-N 305.765 2.866 0 40 DFAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccs2)C1 195535171 UEICVSPOHCMFKA-YZRASEIHSA-N 314.476 2.627 0 40 DFAB CC(C)C[C@@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccccn1 95438161 OZINEHLDGSOJPN-UAGQMJEPSA-N 319.449 2.971 0 40 DFAB O=C(c1ccccc1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072486 ZSIDXVMINHIEGO-MJGOQNOKSA-N 324.380 2.534 0 40 DFAB CC(=O)N1CC[C@@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206365 HSSKDOVTPQEGFQ-PKOBYXMFSA-N 310.397 2.940 0 40 DFAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)N(C)C)C3)cc1 96157636 SMFDISYPYZQWSB-UHFFFAOYSA-N 315.461 2.965 0 40 DFAB CCOC[C@@H]1CCN(CC23CC(CN2C(=O)OC(C)(C)C)C3)C1 583651782 SNRWPLLOYQLVCT-KSTDHSDQSA-N 324.465 2.744 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)C[C@@H]2CCOC2)c1C 96428214 ITFYDELJDKLERP-NVXWUHKLSA-N 323.458 2.807 0 40 DFAB Cc1cc(CNC(=O)Cc2ccccc2)nc(N2CCCCC2)n1 96121098 SIZQGDWLYWFDMM-UHFFFAOYSA-N 324.428 2.634 0 40 DFAB CCOC(=O)N1CCC(N[C@@H](c2ccccn2)C(C)C)CC1 96494296 HTJVEOFZSBWUTP-MRXNPFEDSA-N 305.422 2.989 0 40 DFAB CCOc1ncccc1CNCc1c(C)nc2sccn12 96403858 NYJCPWGCGNWZHI-UHFFFAOYSA-N 302.403 2.788 0 40 DFAB Cn1c(C2CCN(C(=O)c3ccccn3)CC2)nc2ccccc21 96231128 JKHUFSCVZPMLAT-UHFFFAOYSA-N 320.396 2.988 0 40 DFAB COc1ccc(F)cc1NC(=O)N[C@@H](CO)Cc1ccccc1 92117954 BLVOYZGDCDPTAR-CQSZACIVSA-N 318.348 2.559 0 40 DFAB COc1ccc2nc3n(c2c1)[C@@H](CNCC(C)(C)C)COC3 96112629 BBNBKDAYGRZVON-LBPRGKRZSA-N 303.406 2.752 0 40 DFAB biogenic,in-vitro CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 97049295 HJYXPQIPOJEEBT-LSDHHAIUSA-N 306.475 2.719 0 40 DFAB CCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 97232753 WDRPGAXSWSTQSU-ZJUUUORDSA-N 324.343 2.843 0 40 DFAB O=C(c1ccccc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247956705 VTUWVZPJYBYSQL-MRXNPFEDSA-N 324.380 2.534 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1nccc2ccccc12 69818624 NSZPFGZWWKGGDL-SJORKVTESA-N 309.413 2.934 0 40 DFAB COc1ccc([C@@H]2CNCCN2Cc2scnc2C)cc1 257241281 HXKONYBKQFLQKL-HNNXBMFYSA-N 303.431 2.607 0 40 DFAB Cc1ncsc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 69813672 JSWBVYGBZMUMLL-NSHDSACASA-N 323.368 2.738 0 40 DFAB C[C@H]1c2nc(C(=O)NC3CCC3)cn2CCN1Cc1ccccc1 253591390 MYZUUVKKLWMBKW-AWEZNQCLSA-N 324.428 2.742 0 40 DFAB Cc1cc(C)nc([C@@H]2CCN(Cc3ccc(C(=O)O)cc3)C2)n1 257256611 KMFJVVFOOBVNLA-MRXNPFEDSA-N 311.385 2.781 0 40 DFAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[C@H]2C(=O)O)c1 649465084 MSQSTNFMRZOCRI-IAGOWNOFSA-N 324.380 2.640 0 40 DFAB CC(C)CN1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 585112429 PPGVZCDRUXSBTP-ZDUSSCGKSA-N 305.422 2.561 0 40 DFAB C[C@@H](CNC(=O)c1ccc(Br)cc1Cl)C(=O)O 54333500 XTVPUEYQCMCRLO-LURJTMIESA-N 320.570 2.553 0 40 DFAB CCc1ccc(-c2ccc(C(=O)NCc3nnc(C)n3C)o2)cc1 76065737 ZMTMAIXMLQPJMH-UHFFFAOYSA-N 324.384 2.876 0 40 DFAB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N(C)C1(C#N)CCCCC1 97372428 LXGBGNBQANCOQE-FZMZJTMJSA-N 408.502 3.276 0 40 DFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCCC2)c1 383482 CPTZRYFWSSXKEO-UHFFFAOYSA-N 319.357 2.779 0 40 DFAB COc1ccccc1NC(=O)NCCc1cn2ccccc2n1 11563178 ZHWYDSSLEJHEFT-UHFFFAOYSA-N 310.357 2.707 0 40 DFAB Cc1cc(OC(=O)c2ccco2)n(-c2nc3ccccc3[nH]2)n1 13639556 XHMYMHUTBLVWQL-UHFFFAOYSA-N 308.297 2.869 0 40 DFAB Cc1cnc(NC(=O)c2c(C)nnn2-c2ccc(F)cc2)s1 19239311 CKYYHUVHVJLOIY-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB Cc1cccc(N2C[C@H](C(=O)Oc3ccccc3C=O)CC2=O)c1 408668883 RFOHVXTYNMCBFL-OAHLLOKOSA-N 323.348 2.766 0 40 DFAB O=C(NCCCN1CCCC1)c1ccccc1Br 3086808 KLUUICMARRFTKG-UHFFFAOYSA-N 311.223 2.665 0 40 DFAB COc1ccc2o/c(=N\c3cccc(F)c3)c(C(N)=O)cc2c1 3198261 KBSAZIHGZPKBEQ-JZJYNLBNSA-N 312.300 2.912 0 40 DFAB CC(C)(C)OC(=O)NCCOc1cc(Cl)ccc1C(=O)O 2037888049 FLJATDZPSZILAT-UHFFFAOYSA-N 315.753 2.942 0 40 DFAB Fc1ccc2c(c1)CN(C[C@H]1CCOC1)CCOCCCCO2 2037988916 NJJPBHCVSZZHRV-OAHLLOKOSA-N 323.408 2.853 0 40 DFAB O=c1c(=O)n(-c2ccccc2Cl)ccn1CC1CCCC1 2086950004 MARAPVIDCCLFJZ-UHFFFAOYSA-N 304.777 2.843 0 40 DFAB COCCN1CCC[C@@]12CCCN(C(=O)c1ccsc1)CC2 1565545917 OHXWDHUBRIRISA-QGZVFWFLSA-N 322.474 2.855 0 40 DFAB CO[C@@H](CCSC)CNC(=O)Cc1ccccc1Cl 1775967863 FBUMHOGWWHGPNH-LBPRGKRZSA-N 301.839 2.767 0 40 DFAB COc1ccccc1CC(=O)NCc1nccnc1-c1ccco1 575414278 ZSNNNKPUHORFHI-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB Cc1n[nH]c2c1[C@H](c1ccccc1Cl)C1=C(COC1=O)N2 20086454 LTKBMKZKIUBDAU-LBPRGKRZSA-N 301.733 2.740 0 40 DFAB CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1CC(=O)O 100864336 OUCPZASSXPBHIH-MRVPVSSYSA-N 301.129 2.807 0 40 DFAB Nc1nc(Cl)cc(Nc2cnn(Cc3ccccc3)c2)n1 52488603 VJNFWZWBBAKQMC-UHFFFAOYSA-N 300.753 2.701 0 40 DFAB Cc1ccc(-c2csc3ncn(CCCO)c(=O)c23)cc1F 21525657 QPYZDWXYKLASAJ-UHFFFAOYSA-N 318.373 2.955 0 40 DFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1ccccc1)C2=O 22560500 AOGBKAUNCFZXID-LBPRGKRZSA-N 308.337 2.618 0 40 DFAB CCOC(=O)c1c(NC(=O)C(F)(F)F)sc(C(C)=O)c1C 798599 WYPDOVDCVZRUEL-UHFFFAOYSA-N 323.292 2.937 0 40 DFAB COc1ccc(CCNC(=O)COc2cccc3[nH]ccc23)cc1 12321992 IKPLKBSEGVKKHI-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB Cc1ocnc1C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 97084332 LMEPWCPRGYNYPQ-HNNXBMFYSA-N 300.358 2.804 0 40 DFAB Cc1nc(NC(=S)NC(=O)C(C)C)ccc1Br 515021 AAMBSLQRPOFEQL-UHFFFAOYSA-N 316.224 2.622 0 40 DFAB O=C(CSc1ccccc1)NCc1nncn1-c1ccccc1 42496101 CCESWNFHMQYUCD-UHFFFAOYSA-N 324.409 2.676 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N[C@@H]1c2ccccc2C[C@@H]1O 77533766 WTFHAAVFKVMHPP-YVZJPGBNSA-N 322.408 2.890 0 40 DFAB O=C(Cc1cn2ccsc2n1)Nc1ccc(-n2ccnc2)cc1 23889744 QDNWTHPQFDJVQC-UHFFFAOYSA-N 323.381 2.763 0 40 DFAB O=C(Cc1ccc(Br)cc1)NCCc1cccnc1 23874892 JXCRLPJJISEGKO-UHFFFAOYSA-N 319.202 2.746 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCSc2ccccc21 47869309 FSPIVUZKMCJVIU-TZMCWYRMSA-N 316.430 2.808 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)cc1 3425368 GRVWWOQSBDLIMN-UHFFFAOYSA-N 305.280 2.689 0 40 DFAB COc1ccc(CCC(=O)Nc2cccc(C)n2)cc1OC 12537950 BVTDHDOUTOPQBT-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1 12534285 PPHUVFSMAZVZBB-UHFFFAOYSA-N 322.817 2.550 0 40 DFAB CCc1nc(CN(CCC(N)=O)Cc2ccccc2)cs1 24793915 DDYNHLXAXNNXHG-UHFFFAOYSA-N 303.431 2.583 0 40 DFAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccco2)N(C)C3=O)c1 6747822 CKQSIWMJSWLPOU-MRXNPFEDSA-N 309.325 2.853 0 40 DFAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cn2)no1 24843239 HYZWTQRTIAUPAH-ZDUSSCGKSA-N 320.780 2.807 0 40 DFAB CCCc1nnc(SCC(=O)Nc2ccccc2OC)o1 7605406 VLRFJQOCBKKOBR-UHFFFAOYSA-N 307.375 2.762 0 40 DFAB Oc1ccccc1N1CCN(Cc2nc3ccccc3o2)CC1 55531008 JWVAOMXJUSDKRR-UHFFFAOYSA-N 309.369 2.856 0 40 DFAB O[C@H](CN(Cc1ccccc1)C[C@H]1CCOC1)c1ccco1 107512796 RLWPTHGUYRIWBI-IAGOWNOFSA-N 301.386 2.852 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)c(OC)c1 25407757 RSKSTQODXCQMJD-CYBMUJFWSA-N 306.406 2.907 0 40 DFAB CN(C)C(=O)[C@H](Cc1ccccc1)NCc1cccc2[nH]ccc12 109076987 QWDKJZBBOMAQCR-IBGZPJMESA-N 321.424 2.957 0 40 DFAB c1cc(CNc2ncnc3[nH]cnc23)cc(N2CCCCCC2)n1 84613389 ZUQYUAUISOUQHK-UHFFFAOYSA-N 323.404 2.740 0 40 DFAB CCCS(=O)(=O)NCc1ccccc1CN1CCC[C@H](C)C1 48285964 RKMIJFYNTNHBAK-HNNXBMFYSA-N 324.490 2.748 0 40 DFAB CS[C@@H](C)C(=O)NCCc1ccccc1Br 58264564 BUOQYTXQMLBNOD-VIFPVBQESA-N 302.237 2.859 0 40 DFAB O=C1N(CC2CC2)CC[C@]12CCCN(Cc1ccncc1)CC2 108524476 RNEMOKLPKZKTKC-LJQANCHMSA-N 313.445 2.696 0 40 DFAB Cn1nc2c(c1NC(=O)CSc1ccc(F)cc1)CCC2 23135689 SLAFQGDQNKITBZ-UHFFFAOYSA-N 305.378 2.779 0 40 DFAB CCOC(=O)NC(NC(=O)OCC)c1ccccc1Cl 2172453 DGTBOBLZCUHAIJ-UHFFFAOYSA-N 300.742 2.831 0 40 DFAB CCN(c1cccc(CO)c1)S(=O)(=O)c1cccc(C)c1 58313459 FKPJJRXPHWRWSA-UHFFFAOYSA-N 305.399 2.703 0 40 DFAB CC(C)CNC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12753469 UDTYOHUGKIYMAK-AATRIKPKSA-N 322.459 2.901 0 40 DFAB C[C@H](NC(=O)NCc1ccc(-n2cccn2)nc1)c1ccccc1 45114659 TWXCCBDAYZUOHR-AWEZNQCLSA-N 321.384 2.828 0 40 DFAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1C 105992750 VINYDKCKZFLDHG-YBEGLDIGSA-N 322.389 2.774 0 40 DFAB COc1ccc([C@@H](C)N(C)C(=O)CCCc2nc(C)no2)cc1 58953057 TVQCSQYWNORHIJ-GFCCVEGCSA-N 317.389 2.929 0 40 DFAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1Cc1cccs1 100216155 TYXOECIHPVJNOM-RYUDHWBXSA-N 301.415 2.684 0 40 DFAB Cc1ccc(SCC(=O)OCC(=O)NCc2ccco2)cc1 21973939 AQGDSLQRIKAYID-UHFFFAOYSA-N 319.382 2.540 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 29094160 AGDTVWITUMAUNG-IAGOWNOFSA-N 302.393 2.672 0 40 DFAB Cc1ccc2cccc(C(=O)N[C@@H](C)[C@H](C)n3cncn3)c2n1 95400538 YKOVJDPHFZYYCP-STQMWFEESA-N 309.373 2.514 0 40 DFAB C[C@]1(CO)CCC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F 95427206 GDBXUTUBLUVPGI-DZGCQCFKSA-N 315.335 2.915 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1C 46756237 GICBGRTUBSBART-VIFPVBQESA-N 319.279 2.688 0 40 DFAB C[C@H]1COCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 46775684 ADOKIMDJHNEXDS-HOTGVXAUSA-N 324.424 2.876 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)nc1 3470722 BSBWLQCGKLPQEC-ZYHUDNBSSA-N 310.781 2.587 0 40 DFAB Cc1n[nH]cc1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 93280563 YLGNUKKKQGWBND-QGZVFWFLSA-N 303.381 2.803 0 40 DFAB COC(=O)[C@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(C)C 6049945 KRWUPCIQJYNXJB-DZGCQCFKSA-N 306.406 2.505 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)c(F)c1 6113664 MAAZADLADUOXGC-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1cc(NC(=O)NCc2cccnc2N2CCCCC2)no1 65565372 AGRIQLISXIIOCR-UHFFFAOYSA-N 315.377 2.690 0 40 DFAB CC(=O)Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1 14140546 PZLJQYMHPAFGHU-UHFFFAOYSA-N 309.325 2.967 0 40 DFAB CCNC(=O)c1ccc(OC(=O)c2cccc3cn[nH]c23)cc1 72286509 PTQMTAYIPIEVAP-UHFFFAOYSA-N 309.325 2.532 0 40 DFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2C)C1=O 4694772 HRRRGZBWOGYIOJ-WQLSENKSSA-N 305.355 2.594 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1cccc(OCC(F)F)n1 97143259 ZWVZHUDSLWTBRO-UHFFFAOYSA-N 311.288 2.982 0 40 DFAB CCOc1ccccc1C1CCN(C(=O)c2cnn(C)c2)CC1 71841980 TYGDKZMTTSSYAW-UHFFFAOYSA-N 313.401 2.839 0 40 DFAB Cc1cc(CNC(=O)NCCCc2c[nH]c3ccccc23)on1 71886648 MNMDFGNBEYHGSO-UHFFFAOYSA-N 312.373 2.896 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)n1 71830776 JFMAQNBKZYBEJU-JYJNAYRXSA-N 301.434 2.867 0 40 DFAB COCCCCNC(=O)Nc1ccc(Br)nc1C 91188814 PTZVYDUCCCGUMH-UHFFFAOYSA-N 316.199 2.701 0 40 DFAB OC[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 8128390 BOBYMCNKSLYYJB-AWEZNQCLSA-N 320.396 2.901 0 40 DFAB COc1ccc(NC(=O)c2cc(=O)c(OC)co2)cc1Cl 16850852 JMYMJYYDITYASB-UHFFFAOYSA-N 309.705 2.563 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc2ccccc2o1 71880412 IJKJRFRBOPFZHJ-HZPDHXFCSA-N 313.401 2.803 0 40 DFAB CCOC(=O)Nc1ccc(OC(=O)c2cc(C)nn2CC)cc1 71886268 IHJGGEUDZSFUDG-UHFFFAOYSA-N 317.345 2.999 0 40 DFAB CSc1ccccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 69531284 XGWVXEOYAQUQKH-JTQLQIEISA-N 309.435 2.833 0 40 DFAB C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(OC(F)(F)F)cc1 69617211 VFRIEWDHUOKJAC-FZMZJTMJSA-N 318.339 2.566 0 40 DFAB CC(C)(C)CC(C)(C)NCc1cnc(N2CCOCC2)nc1 69675515 XHNGZVUNAKDUIV-UHFFFAOYSA-N 306.454 2.618 0 40 DFAB CCn1nc(C(=O)NCc2ccccc2C)c2ccccc2c1=O 8876367 PLXFHLINFUCINO-UHFFFAOYSA-N 321.380 2.655 0 40 DFAB CN(Cc1cccn1C)C1CCN(CCc2ccccn2)CC1 92645369 GSQJWQWMWJZRND-UHFFFAOYSA-N 312.461 2.559 0 40 DFAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(Cl)nc2)c1 72330791 VBWMOXPDROVWAZ-UHFFFAOYSA-N 318.760 2.863 0 40 DFAB C[C@@H]1CC(NC[C@H](O)c2cccc(OC(F)F)c2)C[C@@H](C)O1 97035054 SDSYJDMKPQEAPI-HFAKWTLXSA-N 315.360 2.867 0 40 DFAB CCS[C@H]1CCC[C@H](NC(=O)Nc2cccn(C)c2=O)C1 84811960 LKMCWUIXDMQVOM-RYUDHWBXSA-N 309.435 2.571 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCC(C)(C)C(=O)O 95970733 SWWWTFKFOSLHRM-CYBMUJFWSA-N 319.401 2.732 0 40 DFAB COC(=O)c1cc(CN2CCCC[C@H]2c2ncc[nH]2)oc1C 89536621 KVGQXMJJEQTSPR-AWEZNQCLSA-N 303.362 2.825 0 40 DFAB CC(=O)c1ccc(NC(=O)NCc2cn3ccc(C)nc3n2)cc1 89700948 UGYHVWMTIUVKDD-UHFFFAOYSA-N 323.356 2.562 0 40 DFAB Cc1cc(CN(C)C(=O)c2cc(Cl)c(Cl)n2C)no1 25139009 YJYJKIXZITWNTL-UHFFFAOYSA-N 302.161 2.901 0 40 DFAB COc1cccc(NC2=NCC(=O)N2Cc2cccs2)c1 20143186 MHTDUBJSIGTIOT-UHFFFAOYSA-N 301.371 2.567 0 40 DFAB O=C(NC(=O)c1ccccc1)Nc1nnc(C(F)(F)F)s1 408718418 WYCOBHKVWUUZGU-UHFFFAOYSA-N 316.264 2.519 0 40 DFAB O=C(c1cc2ccccn2c1)N1CC[C@H](Oc2ccncc2)C1 121134121 MXULUFHNFXUXOG-KRWDZBQOSA-N 307.353 2.628 0 40 DFAB CCn1cc(C2CCN([C@H](C(=O)O)c3ccsc3)CC2)cn1 517035535 MOQFIFPBAKNMBJ-HNNXBMFYSA-N 319.430 2.970 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1F 30287709 UDPGPZZALPNVQE-LLVKDONJSA-N 309.362 2.874 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 218491150 ZSHPTAWLFYRDRW-JYJNAYRXSA-N 321.829 2.915 0 40 DFAB CC(C)c1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCO2)on1 35511492 DPSOZNIJVHOEAB-TZMCWYRMSA-N 307.394 2.824 0 40 DFAB CONC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 79361426 CFHFBTOTMZJZRJ-UHFFFAOYSA-N 301.268 2.927 0 40 DFAB COCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 31904004 HLFTVFFZECHIHU-UHFFFAOYSA-N 318.609 2.572 0 40 DFAB CCc1cc(NC(=O)N2CCc3c(cccc3OC)C2)n(C)n1 183129794 DRQXNBBOHLLWAU-UHFFFAOYSA-N 314.389 2.581 0 40 DFAB Cc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)no1 40714707 ZTXLCIMVQPZTBE-UHFFFAOYSA-N 304.350 2.509 0 40 DFAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F 42645839 KCGRYEBAHPIFIK-UHFFFAOYSA-N 324.714 2.873 0 40 DFAB COc1cccc([C@H](O)CNC(=O)OCc2ccccc2)c1 74559252 YLJYTTMNJLBPCM-MRXNPFEDSA-N 301.342 2.655 0 40 DFAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CC1 227158871 LSAQWGFOJRFSPN-SNVBAGLBSA-N 305.765 2.572 0 40 DFAB COc1ccc2c(c1)CN(CC1CC1)CC[C@H]1COC(=O)N21 225490893 YVZMSMVFVLXLOY-AWEZNQCLSA-N 302.374 2.636 0 40 DFAB biogenic,in-vitro CCCc1occc1C(=O)NCc1cc(OC)c(O)c(OC)c1 225608165 RVTABIASLVWJBC-UHFFFAOYSA-N 319.357 2.885 0 40 DFAB CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cccs1 69811455 GKHMKFHWVXRKIO-AWEZNQCLSA-N 317.410 2.995 0 40 DFAB CC(C)NCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 193493120 SASSFSVFUNHTSP-GFCCVEGCSA-N 304.360 2.537 0 40 DFAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1nccs1 226852827 YVCJEURCKMURDF-NSHDSACASA-N 314.370 2.735 0 40 DFAB Cc1csc(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)n1 190739343 BHEVNWMWLSPDPZ-ZDUSSCGKSA-N 300.383 2.569 0 40 DFAB Cc1cnc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)s1 225722999 IIXZVBNNRWXNSI-LLVKDONJSA-N 321.427 2.983 0 40 DFAB COC(=O)CCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 96447101 NFYWGJHPAHWZRJ-ZDUSSCGKSA-N 317.307 2.642 0 40 DFAB CN(Cc1ccsc1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 96418761 WBXBQDCWZKNELX-ZDUSSCGKSA-N 324.446 2.964 0 40 DFAB O=C1N(c2cccnc2)CC[C@@]12CCCN(c1ccccn1)C2 96224505 JONRTZZNLOUVMD-GOSISDBHSA-N 308.385 2.500 0 40 DFAB Cc1cc(C(=O)Nc2ccc(C)c(O[C@@H]3CCOC3)c2)on1 95408073 QDCSRLXZZPUING-CYBMUJFWSA-N 302.330 2.711 0 40 DFAB c1cncc([C@H]2COC3(CCN(CC4CCOCC4)CC3)C2)c1 96047786 ACTSYPDSGOYWBO-GOSISDBHSA-N 316.445 2.847 0 40 DFAB Cc1nn(C)cc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 96431385 LGQQLDONXKTXBM-UHFFFAOYSA-N 316.792 2.836 0 40 DFAB COC[C@H]1CCCN(C(=O)c2cc(C)ccc2-n2ccnc2)C1 96427218 JEOLZWCDPQPFAX-HNNXBMFYSA-N 313.401 2.679 0 40 DFAB Cc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)s1 248078779 HZYCGVSHOGVBGK-HOTGVXAUSA-N 306.475 2.742 0 40 DFAB Cc1cccnc1C(=O)N1CCC[C@@H](Cc2nccs2)C1 257256403 KLIVCKIBVYVFDR-ZDUSSCGKSA-N 301.415 2.941 0 40 DFAB COCCN1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2 257272564 NCWSYPVYBODKBF-QGZVFWFLSA-N 307.409 2.886 0 40 DFAB CC(=O)N1CCN(Cc2csc(C)n2)C[C@@H]1c1ccccc1 257285552 PHRSNAAKVQEKBE-QGZVFWFLSA-N 315.442 2.857 0 40 DFAB CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 566064315 NIDQKBDIZHOOQY-OCCSQVGLSA-N 316.430 2.692 0 40 DFAB FC(F)(F)c1ccnc(Nc2ccn(Cc3ccccn3)n2)n1 68904852 OUQGTBQBMWGWKL-UHFFFAOYSA-N 320.278 2.879 0 40 DFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(Cl)c1Cl 49091281 FKCJRDGPABTNJW-IUCAKERBSA-N 315.200 2.719 0 40 DFAB CCOC(=O)NC1CCN(Cc2cccc3cccnc23)CC1 58173409 JJMGQXNECZDSOL-UHFFFAOYSA-N 313.401 2.945 0 40 DFAB COc1ccccc1CNC(=O)CNc1ccccc1C(C)=O 58126574 UGRJJOGIBNQPOO-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1F)N1CCCC1=O 73206397 DUJCBLDCSVKZBU-HNNXBMFYSA-N 322.380 2.952 0 40 DFAB CCN(CCNC(=O)NCC1CCCC1)C(=O)OC(C)(C)C 58420405 ULIZTHOOTCRJET-UHFFFAOYSA-N 313.442 2.733 0 40 DFAB CC[C@H]1CCCCN1CCCn1c(O)nc2ccccc2c1=O 1565522335 GDZCXQOQDCFORO-AWEZNQCLSA-N 315.417 2.757 0 40 DFAB CCC(=O)N1CCc2cc(C(=O)Nc3ccnc(C)c3)ccc21 75117797 RTOVICUXENJADA-UHFFFAOYSA-N 309.369 2.941 0 40 DFAB C[C@H](CNC(=O)c1ccc(Cl)s1)CC1(C)OCCO1 95960886 PWKAFRBXCBXSSM-VIFPVBQESA-N 303.811 2.921 0 40 DFAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccs2)o1 5836908 RBDWMSTXFQKXLP-UHFFFAOYSA-N 324.383 2.645 0 40 DFAB CCCCOc1ccc(C(=O)NCc2cn(C)nc2C)cc1 12009391 QTQVDGQGPQZODC-UHFFFAOYSA-N 301.390 2.837 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)C(C)(C)C)c1ccc(F)c(F)c1 12114993 RTQFFYJSGAQFIK-ZDUSSCGKSA-N 307.344 2.950 0 40 DFAB CCC(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 12442813 AQTRHQKLUAWCGC-UHFFFAOYSA-N 321.427 2.736 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N(C)C 13654366 FSHVXQXJTLETRN-DOMZBBRYSA-N 320.364 2.605 0 40 DFAB O=C(Cc1csc(NC[C@@H]2CCCO2)n1)Nc1ccccc1 13998626 NVHZZSNUBCHUMA-AWEZNQCLSA-N 317.414 2.915 0 40 DFAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc[nH]n1 18193781 WZWYTMNZCVVRHA-UHFFFAOYSA-N 315.160 2.909 0 40 DFAB Cn1cc(NC(=O)CCn2c(C(F)F)cc3cccnc32)cn1 19290716 JINAOVVGUXJKHP-UHFFFAOYSA-N 319.315 2.736 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 19405795 NKVCIZKCMAHIHJ-GJZGRUSLSA-N 323.400 2.887 0 40 DFAB CNC(=O)[C@]1(C)CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 19745941 QIIGCHCOEXWWCP-LJQANCHMSA-N 316.445 2.748 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 100809468 MJIKRONPCKWSIO-BETUJISGSA-N 319.405 2.647 0 40 DFAB O=S(=O)(Nc1cccnc1Cl)c1ccc(F)cc1F 166998 NJIGWIMQQHTNLB-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 5903986 JYWAJTLVUUTULQ-UHFFFAOYSA-N 300.767 2.651 0 40 DFAB COCCNC(=S)Nc1ccc(C)cc1Br 6329145 AQWVHQOQYWEUAB-UHFFFAOYSA-N 303.225 2.690 0 40 DFAB COc1ccc(CNC(=O)c2cccc(C)c2C)cc1C(=O)O 13392916 MYGBDZKREDQOLQ-UHFFFAOYSA-N 313.353 2.940 0 40 DFAB C[C@@]1(CNCc2csnn2)CCCN1Cc1ccccc1 154808454 KMFSHXRZDDVBFA-INIZCTEOSA-N 302.447 2.682 0 40 DFAB CC(C)[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 173987892 LNVVNDXQCALCPR-JTQLQIEISA-N 320.252 2.913 0 40 DFAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2CC1(O)CCCCCC1 2037956993 GFYZYPKKFWLWQP-QZTJIDSGSA-N 322.493 2.937 0 40 DFAB Cc1cc(CN2CCN(Cc3cc(F)cc(F)c3)[C@H](C)C2)no1 2086938268 HDZNAFFTYMWQSF-GFCCVEGCSA-N 321.371 2.968 0 40 DFAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccs1 9701399 XVCFJNKTVHVNNE-UHFFFAOYSA-N 315.310 2.779 0 40 DFAB COc1cccc(NC(=O)NC[C@H](OC)c2ccco2)c1OC 206869474 DJGUCYFSWQNUKJ-AWEZNQCLSA-N 320.345 2.806 0 40 DFAB CN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C1CCCCC1 40457533 PULWSRYADOSJNN-UHFFFAOYSA-N 314.385 2.745 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)c(F)c1 20400196 GFQMBEDXBDIAMB-JTQLQIEISA-N 306.362 2.953 0 40 DFAB CN(Cc1nnc2n1CCC2)C(=O)/C=C/c1cccc(Cl)c1 40523033 MAXFCLJVQFIIRR-BQYQJAHWSA-N 316.792 2.550 0 40 DFAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccs1 101395689 DYZHLWCYXAOKLZ-HQIZRNBFSA-N 324.471 2.622 0 40 DFAB C[S@@](=O)Cc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 21293585 VZMBDBAMJHPCPR-NRFANRHFSA-N 321.427 2.546 0 40 DFAB O=C(NCc1ccco1)c1cc2cc(Cl)ccc2oc1=O 351892 BUQCIOLEARCHGT-UHFFFAOYSA-N 303.701 2.969 0 40 DFAB O=C(Nc1ccc(F)cc1Cl)c1cnc2ccccn2c1=O 32899979 XUGSZJBFZPGZCA-UHFFFAOYSA-N 317.707 2.739 0 40 DFAB Cc1ccc(C)c(CS(=O)(=O)Cc2nc(C(C)C)no2)c1 32929615 AVEXMIHJJRGGIH-UHFFFAOYSA-N 308.403 2.925 0 40 DFAB Cc1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 21835464 CRHHGWOBYRWVEC-UHFFFAOYSA-N 323.440 2.751 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1cncn1-c1ccccc1 41676829 YJBAPBPRSAOVMW-UHFFFAOYSA-N 307.353 2.850 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1ccn(-c2ccc(F)cc2)n1 104417934 ZJVHEORNZIXACX-LVZFUZTISA-N 324.359 2.811 0 40 DFAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccn1 574218 XIOPHHVUGYRDAZ-UHFFFAOYSA-N 301.371 2.771 0 40 DFAB Cc1ccc(C)c(CN(C)C[C@@H](O)COCCOC(C)C)c1 78601920 MDWWFSZJJJVSIY-GOSISDBHSA-N 309.450 2.538 0 40 DFAB COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)n[nH]c1C 79481364 ZHIJPRIFGYKXLO-CQSZACIVSA-N 318.373 2.906 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)ccc12 2095381 QNESWPAJQLRPFE-UHFFFAOYSA-N 303.358 2.643 0 40 DFAB biogenic Cc1nc(N(CCC(=O)O)CCC(=O)O)sc1C(C)(C)C 3074258 GNAXHDYHDZADRO-UHFFFAOYSA-N 314.407 2.505 0 40 DFAB COc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1 4807954 GFHKZTOEYLGIGM-UHFFFAOYSA-N 319.415 2.635 0 40 DFAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)CC(=O)N2 4944176 KMBCUDCACRUKKK-LLVKDONJSA-N 315.398 2.664 0 40 DFAB CCCCC(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1 6240655 FUMJETLWLRYKBQ-UHFFFAOYSA-N 304.371 2.796 0 40 DFAB CCCCOc1ccc(C(=O)NCCCn2ccnc2)cc1 6379848 YLETXZSIOUOFCJ-UHFFFAOYSA-N 301.390 2.882 0 40 DFAB CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1nccs1 105992974 DJZCAOPFMGRPEJ-RYUDHWBXSA-N 309.435 2.502 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 7051996 FYERYVDFAJYHGU-UHFFFAOYSA-N 305.355 2.833 0 40 DFAB CCN1CCC(NC(=O)NCCc2ccc(Cl)s2)CC1 43291486 HAESZRLQHWNWDU-UHFFFAOYSA-N 315.870 2.728 0 40 DFAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 8041658 RVCVYEYSGRKJCJ-CYBMUJFWSA-N 312.369 2.808 0 40 DFAB CC[C@H](C)Oc1ccc(NC(=O)NCCn2ccnc2)cc1 56555833 CQPJUQNCTJZUQX-ZDUSSCGKSA-N 302.378 2.882 0 40 DFAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cc2c(cc1O)CCCC2 71285974 WZOFDUSFSXBODD-UONOGXRCSA-N 303.358 2.566 0 40 DFAB O=C(COC(=O)COc1ccccc1)NCCC1=CCCCC1 3388561 AMBVJXGIQAAVIX-UHFFFAOYSA-N 317.385 2.615 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)s1 48354942 UCJHHNFLDGZMSC-UHFFFAOYSA-N 314.366 2.708 0 40 DFAB C[C@H](NC(=O)c1cn(C)c2ccccc12)c1nnc2ccccn12 48374557 DEXHZOGOTFZBDL-LBPRGKRZSA-N 319.368 2.712 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)o1 29079909 RXMBUEFDXUNAJG-OAHLLOKOSA-N 313.332 2.980 0 40 DFAB Cc1ccccc1OCCN1C(=O)NC2(CCC(C)CC2)C1=O 3401370 HTYLRTZUPPRREW-UHFFFAOYSA-N 316.401 2.875 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)Cc2cccc(Cl)c2)C1 47000950 IJEFTOMBBQQSEZ-WFASDCNBSA-N 322.836 2.646 0 40 DFAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@@H](C)C(C)C 3512913 RGWLHEAWYCKITP-JTQLQIEISA-N 313.781 2.666 0 40 DFAB O=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 13167449 FKJPSCISTUFFAY-UHFFFAOYSA-N 319.376 2.961 0 40 DFAB COc1ccc([C@H]2[C@H]3C(C)=NN=C3C[C@](C)(O)[C@H]2C(C)=O)cc1 4111580 HDMQMOKRQPHFHG-XSLAGTTESA-N 314.385 2.585 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736597 ICDHRHPWFCIFDD-SNVBAGLBSA-N 304.321 2.823 0 40 DFAB CC(=O)Nc1cc(Br)c(N)c(Br)c1 5137974 NUQSCEJIANBZEQ-UHFFFAOYSA-N 307.973 2.752 0 40 DFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(OC)c1 13947233 HNDGLYOTAXPXMC-GFCCVEGCSA-N 313.419 2.657 0 40 DFAB CON(C)C(=O)c1cc(C)nc2ccc(Br)cc12 65564786 YLQVZJOAKLJPKY-UHFFFAOYSA-N 309.163 2.939 0 40 DFAB O=C(CCc1ccccc1OC(F)(F)F)NC[C@@H]1CCCO1 66265879 AHPIITUOIYLTLZ-LBPRGKRZSA-N 317.307 2.813 0 40 DFAB O[C@@H](CNc1ncnc2[nH]cnc12)c1ccc2ccccc2c1 67372938 UWXPWSKTJACITH-AWEZNQCLSA-N 305.341 2.652 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15594435 IUGHJRMVWGMMAI-JTQLQIEISA-N 313.382 2.976 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c1N 7305290 DVAOWYAJIARIEZ-UHFFFAOYSA-N 312.369 2.990 0 40 DFAB O=C1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)N1 84838985 IHCBLVZWLKSTHZ-XXFQCFAGSA-N 312.413 2.750 0 40 DFAB O[C@H](COc1c(Cl)cccc1Cl)COC1CCOCC1 95974871 PTQGGNHBIGRHPE-JTQLQIEISA-N 321.200 2.929 0 40 DFAB CCCc1nc(NC(=O)N2CCCN(C)CC2)sc1CC 95999976 HVHNLNHJMHVDEZ-UHFFFAOYSA-N 310.467 2.827 0 40 DFAB COc1cc2c(cc1CNCc1ccccc1CO)O[C@H](C)C2 71825337 QNKRUYBNHHWTQF-CYBMUJFWSA-N 313.397 2.801 0 40 DFAB NC(=O)c1csc(C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)c1 71888344 GPRPENKTSHFDML-CQSZACIVSA-N 318.373 2.867 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc[nH]2)cc1 8177471 MTMLQPKDFUJGJS-NSHDSACASA-N 302.330 2.597 0 40 DFAB Cc1ccc(N2CCC[C@H](NCc3sccc3C)C2)nn1 70018237 PCNAPRTURIPTKQ-AWEZNQCLSA-N 302.447 2.914 0 40 DFAB OC1(CNc2ncc(C(F)(F)F)cc2Cl)CCOCC1 70005296 FEJINEHQFIEKST-UHFFFAOYSA-N 310.703 2.707 0 40 DFAB Cc1cccc2sc(NC(=O)Cn3c(C)csc3=O)nc12 8393027 ZQKMUXKUWRGNKN-UHFFFAOYSA-N 319.411 2.775 0 40 DFAB CC(C)NC(=O)Cc1ccc(NCc2nnsc2Cl)cc1 89103971 UXORMZSZBVJVFE-UHFFFAOYSA-N 324.837 2.871 0 40 DFAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N2CCCC2)C1 72082589 ONUOTXKZNUGSPG-CYBMUJFWSA-N 323.824 2.733 0 40 DFAB COc1ccccc1CN(Cc1ccn[nH]1)C[C@H]1CCCO1 91772158 CMAMOZKGOWOZSD-MRXNPFEDSA-N 301.390 2.600 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 69696700 PMDKPPYCWAWIOC-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB C[C@@H](SCc1ccn(-c2ccccc2)n1)C(=O)NC1CC1 89448731 UFUDVZVBJPXSTB-GFCCVEGCSA-N 301.415 2.773 0 40 DFAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1sc(C)nc1C 69896358 SSSYJNNOTUPKJV-ZDUSSCGKSA-N 316.382 2.504 0 40 DFAB CCOc1ccc(NC(=O)c2cn3ccccc3n2)cc1OC 8710125 AGNBXUQULWVICY-UHFFFAOYSA-N 311.341 2.994 0 40 DFAB O=C(N[C@@H](C(=O)O)c1ccccc1F)c1ccc2ncccc2c1 97036415 JVKQFBMLOYQMOD-MRXNPFEDSA-N 324.311 2.930 0 40 DFAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCCSC(C)(C)C 97049303 HKYKULWOITWHCS-OLZOCXBDSA-N 302.484 2.711 0 40 DFAB COc1ccc(-n2ccc(CN[C@@H]3CCCSC3)n2)cc1 97084526 AIQVQWPLAHRMEB-CQSZACIVSA-N 303.431 2.866 0 40 DFAB COc1ccccc1NC(=O)CN[C@H]1CC(C)(C)OC1(C)C 97103326 BBUZXKFAYHKBSK-AWEZNQCLSA-N 306.406 2.569 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)c3c(C)noc3C)c2c1 72325608 OHIRFSFCUOMEDE-UHFFFAOYSA-N 313.357 2.754 0 40 DFAB biogenic Cc1ccc(Br)cc1C(=O)N[C@H]1CCCC[C@@H]1N 87744040 DFVOTLZWHPRMQO-STQMWFEESA-N 311.223 2.757 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 95964239 ALTJTWSGASZZOW-UKRRQHHQSA-N 323.458 2.633 0 40 DFAB COc1cccc(CCCNC(=O)N[C@@H](C)C2CCOCC2)c1 89894384 SITLGFGTXQEXLJ-AWEZNQCLSA-N 320.433 2.742 0 40 DFAB CC(C)N1CCC[C@H]1CC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 89885191 HXSYKSDTLPNMNF-STQMWFEESA-N 322.453 2.807 0 40 DFAB CCOC[C@@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 89986694 NMJFMDQMZRLKIA-RISCZKNCSA-N 311.472 2.964 0 40 DFAB Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)C(=O)N(C)C)cc1 65743121 WJEFEBYRIBQJRX-UHFFFAOYSA-N 321.380 2.889 0 40 DFAB in-vitro C[C@H]1C=Cc2cc(O)ccc2[C@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O 65740382 STGSFABFWFDJSQ-SRMUXQRQSA-N 320.385 2.506 0 40 DFAB in-vitro O=C(c1cccc(Br)c1)N1CCSC1=S 39916631 INJAJNQHIFMIIE-UHFFFAOYSA-N 302.218 2.923 0 40 DFAB Cc1cccc(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)c1C 521394330 WLPVIGCATWYUQE-PBHICJAKSA-N 310.397 2.691 0 40 DFAB CSc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524734740 JGDCAPQWWJSGIF-ZDUSSCGKSA-N 315.394 2.857 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2nccs2)[C@@H]1c1cccs1 72240986 VEBMAZKDNXEJEO-BXKDBHETSA-N 321.427 2.753 0 40 DFAB Oc1ccc(OC(F)(F)F)cc1I 33373159 WOCGRJGJXZXHSA-UHFFFAOYSA-N 304.005 2.895 0 40 DFAB O=C(CCc1ccccc1)NC[C@@H](O)c1c(F)cccc1F 77634406 KFJNMEDTMXQLCS-OAHLLOKOSA-N 305.324 2.747 0 40 DFAB COCCn1nc(C)c(NC(=O)CCc2ccccc2)c1C 79659900 YWTPUKBKRYJBHN-UHFFFAOYSA-N 301.390 2.718 0 40 DFAB Cn1c(CN2CCO[C@@H]3CCC[C@@H]32)nc2cc(Cl)ccc21 79354306 VWLMBJAYSHKBIG-LSDHHAIUSA-N 305.809 2.980 0 40 DFAB COC(=O)[C@H](c1ccccc1F)N(C)Cc1nc(C)cs1 72665585 RHMYNTNOLSHPMP-AWEZNQCLSA-N 308.378 2.937 0 40 DFAB CCOCCCNC(=S)Nc1ccc(Br)cn1 225194329 CUESYGPWTDMSJL-UHFFFAOYSA-N 318.240 2.557 0 40 DFAB Cc1cccc(O[C@H]2CCCC[C@H]2NCc2nnc(C)n2C)c1 195570267 LLEGQPULKSJRRA-SJORKVTESA-N 314.433 2.912 0 40 DFAB Cc1nnc(C2CCN(C(=O)Cc3cccs3)CC2)s1 86070987 DCIHUPKMMJTDNG-UHFFFAOYSA-N 307.444 2.857 0 40 DFAB C[C@H](SC(=S)N1CCCC1)C(=O)N1C[C@H](C)C[C@@H](C)C1 195580613 BXEDKEBLGZCWFA-UPJWGTAASA-N 314.520 2.993 0 40 DFAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc(C)cc2C)c1 48231067 LORUWHFYJUCIAT-UHFFFAOYSA-N 313.353 2.673 0 40 DFAB CCCN1CCN(C(=O)Cc2ccon2)c2cc(F)ccc21 195579235 UMRSWNZYOFTODY-UHFFFAOYSA-N 303.337 2.619 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCSCC2)cc1 48064636 YKUJHTWBTBAJOO-VMPITWQZSA-N 320.414 2.844 0 40 DFAB CCCc1nc(CN2CCSC[C@@H]2CC(=O)OC)cs1 96475507 CUFQUVSHLPFXBS-LBPRGKRZSA-N 314.476 2.576 0 40 DFAB CC(=O)NC1CCC(N[C@@H](C)COc2ccc(F)cc2)CC1 97379273 QHNXUQWHDNPIIT-JQRITLKVSA-N 308.397 2.630 0 40 DFAB COc1cccc(OCCc2nnc(NC(=O)C(C)C)s2)c1 95116464 IPPVAFBITJKEEB-UHFFFAOYSA-N 321.402 2.763 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1 96319622 RXKIZACFDZAZHT-QGZVFWFLSA-N 319.357 2.737 0 40 DFAB COC[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)o1 96478922 RJPVFRMQVYKIEF-RYUDHWBXSA-N 306.328 2.502 0 40 DFAB Cc1ccccc1N1CCN([C@@H](C(=O)O)c2ccccc2)CC1 91690132 VZULPSMRQUSOEM-GOSISDBHSA-N 310.397 2.943 0 40 DFAB CCC(CC)c1cc(CNC(=O)c2ccc(C(N)=O)cc2)on1 96426601 JXMMZAKPZHDOLC-UHFFFAOYSA-N 315.373 2.607 0 40 DFAB CC(=O)Nc1ccc(CN2CCO[C@H](c3ccccn3)C2)cc1 257307273 SXYUKAYFHORKHL-SFHVURJKSA-N 311.385 2.614 0 40 DFAB CCn1cc(S(=O)(=O)N[C@H](C)c2cc(C)sc2C)cn1 263880570 LVHAMNNBFOPSAQ-SNVBAGLBSA-N 313.448 2.621 0 40 DFAB CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 287716337 XVJYXHHIWDTQMQ-BYVOGVQKSA-N 310.463 2.948 0 40 DFAB COc1ccc(C(=O)N2CCC3(CC2)OCCS3)cc1F 96120473 FPZKDGMYIXLHQU-UHFFFAOYSA-N 311.378 2.530 0 40 DFAB O=C(Nc1ccc2c[nH]nc2c1)c1ccc(O[C@@H]2CCOC2)cc1 390835682 UVJDOBCRLKKNMX-MRXNPFEDSA-N 323.352 2.983 0 40 DFAB Cc1noc(C)c1C[S@](=O)[C@H](C)C(=O)Nc1ccccc1 69813017 NJQPRPMZNZLBKI-XUSGNXJCSA-N 306.387 2.567 0 40 DFAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(C)=O)cc1 36743718 ZBCHROXAVVLALC-UXHICEINSA-N 324.424 2.799 0 40 DFAB C[C@@]1(CNC(=O)CCc2cccc(F)c2F)CCCC[C@H]1O 75093533 YFGDYUIHVLSYDL-PBHICJAKSA-N 311.372 2.955 0 40 DFAB CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC2(C1)OCCO2 84370321 VYVJRHLOWKJQIC-UHFFFAOYSA-N 323.820 2.884 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)NCc1c(C)noc1C 95955188 ZZXDPRIPZQTVQV-JTQLQIEISA-N 303.362 2.860 0 40 DFAB OCC[C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 89768325 SCHLWXDLEFHYKH-SNVBAGLBSA-N 302.187 2.793 0 40 DFAB CCOC(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 12359761 RPAJKOOCLQUVJE-UHFFFAOYSA-N 315.373 2.637 0 40 DFAB CCc1ccc([C@H]2NC(=O)N(CC)C(C)=C2C(=O)OC)cc1 12869308 CQTIJUADVRMJKB-OAHLLOKOSA-N 302.374 2.782 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1 19573053 MMZFLIRCMSJTHH-SJORKVTESA-N 320.481 2.688 0 40 DFAB CC[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 158882341 PQIZZVGNJFEACR-HNNXBMFYSA-N 312.369 2.686 0 40 DFAB Cc1nc2ccccc2nc1COc1ccc(OCC(=O)O)cc1 6796310 FRXOEVZLBSQQML-UHFFFAOYSA-N 324.336 2.981 0 40 DFAB CCc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 24152400 CRUFYZLQPWVGAQ-UHFFFAOYSA-N 301.415 2.946 0 40 DFAB O=C(NCc1ccccc1)C1CCN(c2nccs2)CC1 1350941 YYDVIYOJUNKUAO-UHFFFAOYSA-N 301.415 2.676 0 40 DFAB CC[C@@H]1CCCCN1C(=O)COc1ncnc2sccc12 2624768 KRLNTTKBZMKCSH-LLVKDONJSA-N 305.403 2.861 0 40 DFAB CSc1ccccc1C(=O)OCC(=O)NCc1cccs1 3280099 NVINKXDGJZYBKZ-UHFFFAOYSA-N 321.423 2.943 0 40 DFAB O=C(OCC(=O)c1cccs1)c1cc(=O)c2ccccc2o1 3263308 YMQYVOUGTDROMN-UHFFFAOYSA-N 314.318 2.894 0 40 DFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)noc2C)cc1 5197636 UYRCZJYQDXYKGC-LLVKDONJSA-N 303.314 2.728 0 40 DFAB O=C(Cn1nnc2ccccc21)Nc1ccc(OC(F)F)cc1 5109901 NALLOHYTNRBHTH-UHFFFAOYSA-N 318.283 2.671 0 40 DFAB O=C(NC1CCCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1202614633 IWPMLPNWEBWKQE-UHFFFAOYSA-N 322.384 2.501 0 40 DFAB CO[C@@H](CCSC)CNC(=O)CSCc1ccccc1 1888918122 YMGZIYHZLURQPD-AWEZNQCLSA-N 313.488 2.804 0 40 DFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 3566201 KINBSYGWCGEOAM-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB C[C@H](OC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)C(=O)O 2061000877 VTOIVQBWGYJQOU-HUBLWGQQSA-N 318.369 2.718 0 40 DFAB Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3C)CC2)s1 1615066086 DKRKATUTARRSBX-INIZCTEOSA-N 307.463 2.737 0 40 DFAB O=C(c1ccsc1)N1CCC2(CC(Nc3ncccn3)C2)C1 1565548543 DZHNSVXSMWATIR-UHFFFAOYSA-N 314.414 2.645 0 40 DFAB CC(=O)N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl 4248229 DMXLILFVJPTARJ-YFKPBYRVSA-N 307.655 2.655 0 40 DFAB CC(C)NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 16837686 NMPRMCFJEJCKFS-UHFFFAOYSA-N 318.402 2.854 0 40 DFAB CCC(CC)C(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 22765465 KNBLBPMPTZUCHD-MRXNPFEDSA-N 323.506 2.589 0 40 DFAB Cn1c(=O)n(CC(=O)c2ccc3c(c2)CCC3)c2ccccc21 96191792 INGXFGIMWRDYRZ-UHFFFAOYSA-N 306.365 2.712 0 40 DFAB CC1(C)COCCN1C(=O)c1csc(Br)c1 42372074 FTNQEVMPJPKJRH-UHFFFAOYSA-N 304.209 2.762 0 40 DFAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc(O)cc1 100621678 BFTUPCJBNLWPNZ-AWEZNQCLSA-N 306.321 2.921 0 40 DFAB biogenic Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 40526803 ZNFLEJJJMAROJM-TXEJJXNPSA-N 324.446 2.908 0 40 DFAB Cn1cc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cn1 32471884 SPDNXPABOFSZOW-NSCUHMNNSA-N 302.281 2.547 0 40 DFAB Cc1cc(S[C@@H](C)C(=O)N2CCNC2=O)nc2ccccc12 32774532 QDTUSVIXWJDQCF-NSHDSACASA-N 315.398 2.576 0 40 DFAB Cc1noc(C)c1CN1CCN(Cc2ccccc2F)CC1 41106197 QBKQXGHMIVKIMG-UHFFFAOYSA-N 303.381 2.748 0 40 DFAB C[C@H](Sc1nccn1C)C(=O)NC[C@H](C)c1ccccc1 21780778 NOCWAGLYYJUHAQ-STQMWFEESA-N 303.431 2.821 0 40 DFAB S=C(NCc1nc2ccccc2[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 103248967 WXZWWIOELKLNRR-MJVIPROJSA-N 300.431 2.716 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)on1 53401303 HNGVCXCSXMCNHQ-HNNXBMFYSA-N 312.369 2.824 0 40 DFAB O=C(O[C@@H]1CSc2nc3ccccc3n2C1)c1ccco1 243219 CBNAFWWBDIYBDF-JTQLQIEISA-N 300.339 2.961 0 40 DFAB CC(C)CN1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 47412889 XSRKZPYRWDAZST-KRWDZBQOSA-N 316.445 2.994 0 40 DFAB CC[C@H](OC(=O)c1ccccc1O)C(=O)NCc1ccccc1 12487041 KROAYKGESGIHCU-INIZCTEOSA-N 313.353 2.644 0 40 DFAB CCOc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 78897967 IUTQVHVSBFUZLI-KSSFIOAISA-N 316.445 2.822 0 40 DFAB Nc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2O)cc1 1703010 VIHQBGAXOJMMCM-UHFFFAOYSA-N 315.350 2.666 0 40 DFAB CCC[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 54673277 FCTBFPVCRIUMSX-MRXNPFEDSA-N 321.384 2.934 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCCc2ccc(F)cc2)c1 4846367 YGGYOWZOVYFWGF-UHFFFAOYSA-N 315.344 2.650 0 40 DFAB Cc1ccc2nc(SCC(=O)NCc3ccco3)[nH]c2c1 6017026 WLUJROBPNAFUJQ-UHFFFAOYSA-N 301.371 2.873 0 40 DFAB CCn1c(C)cc(C(=O)Cn2cnc3sccc3c2=O)c1C 7495215 LBHQIRIDIOAIEK-UHFFFAOYSA-N 315.398 2.779 0 40 DFAB Cc1nnc(S/C(=C\c2cc(Cl)ccc2O)C(=O)O)o1 7603446 ZFFHACSFIQTQNE-YHYXMXQVSA-N 312.734 2.955 0 40 DFAB CC1(CCNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)OCCO1 97115763 FNEGPBLZMMOPIU-QWRGUYRKSA-N 324.343 2.560 0 40 DFAB NC(=O)c1csc(CNCc2cc(Cl)cc3c2OCC3)c1 97113935 BVVFJYVMHCIBPV-UHFFFAOYSA-N 322.817 2.725 0 40 DFAB CC(C)C[C@@H](C)NC(=O)N1CCN([C@H](C)c2ccccn2)CC1 97143138 JHHIGIQSVLKZFK-HZPDHXFCSA-N 318.465 2.904 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(C)c1C 2635272 YCOIZTLERANSIN-UHFFFAOYSA-N 318.398 2.799 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)c(C)c1 8059973 ZGUVJHJACFWEPW-UHFFFAOYSA-N 323.389 2.800 0 40 DFAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCC(N2CCCC2)CC1 106750046 HUACXEICUSIJIJ-DZKIICNBSA-N 307.507 2.610 0 40 DFAB FC(F)(Cl)c1nnc2ccc(Sc3ccccn3)nn12 1406671 PRQISCITYFZMIS-UHFFFAOYSA-N 313.720 2.959 0 40 DFAB CCc1ccccc1N1C(=O)C[C@H](N2CCc3ccccc32)C1=O 100542346 NDMDOKGXTXLLFZ-SFHVURJKSA-N 320.392 2.944 0 40 DFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H]1c1ccncc1 56403375 KBBHHSNMPVLTHF-ROUUACIJSA-N 321.380 2.938 0 40 DFAB CC(C)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 25971147 AYSCJDAFBDXIAJ-UHFFFAOYSA-N 302.296 2.802 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 35176176 CKNFUHXTCVHEFX-JTQLQIEISA-N 313.756 2.894 0 40 DFAB CCOc1ccc(NC(=O)c2cn(CC)nc2OCC)cc1 9070379 CZHKKDUUFHWYOM-UHFFFAOYSA-N 303.362 2.953 0 40 DFAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1cc(F)ccc1F 9607572 GAXZIHWZHKMABI-VIFPVBQESA-N 321.279 2.854 0 40 DFAB C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1 58144974 NPOSZKYULIUYFO-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB CCCCNC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1 58223933 HWKXURIHMJRSNC-NRFANRHFSA-N 321.364 2.870 0 40 DFAB Cc1cc(CN(C)C(=O)CCC(=O)c2ccc(C)s2)no1 44911611 IMSFOKGBCYAAKA-UHFFFAOYSA-N 306.387 2.974 0 40 DFAB CC(C)[C@H](C)N(C(=O)c1cccc(N2CCNC2=O)c1)C1CC1 58392422 JGVKTAHMOCVIRR-ZDUSSCGKSA-N 315.417 2.865 0 40 DFAB CC[C@@H](C)NC(=O)CN1CCC[C@@H]1Cc1ccccc1OC 58525734 VCDRZDQBGHASIH-GDBMZVCRSA-N 304.434 2.617 0 40 DFAB COc1cccc(CC(=O)Nc2ccc3oc(=O)ccc3c2)c1 48367151 GFZMNUSOAMUJHW-UHFFFAOYSA-N 309.321 2.983 0 40 DFAB COC(=O)[C@H](CNC(=O)c1cc2ccc(F)cc2nc1C)CC(C)C 97374541 VGEINTVHSSTOKE-JTQLQIEISA-N 346.402 3.247 0 40 DFAB O=C(NCCCN1CCc2ccccc2C1)c1cccs1 29838822 ZIKVPUXYVYWEQX-UHFFFAOYSA-N 300.427 2.926 0 40 DFAB CCc1nnc(NC(=O)c2cc3ccccc3c(=O)s2)s1 12274408 WCZCJOCDJOEOLQ-UHFFFAOYSA-N 317.395 2.928 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 12252084 VBAPOERGGHYJOS-UHFFFAOYSA-N 319.382 2.957 0 40 DFAB c1c(-c2nnc(CN3CCOCC3)o2)sc2c1CCCC2 12928574 JXFIQJDEWXGONX-UHFFFAOYSA-N 305.403 2.509 0 40 DFAB CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccnc(C)n1 95465841 VLQHUOZZOXBAGM-BMIGLBTASA-N 319.792 2.944 0 40 DFAB Cc1nc2c3c(C)c(C)sc3nc(NC[C@@H]3CCCO3)n2n1 13655073 FMHZTTAKDJXPCY-NSHDSACASA-N 317.418 2.855 0 40 DFAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(CC)CC1 113950676 MMFCFMAMZBHTQD-MRXNPFEDSA-N 304.434 2.625 0 40 DFAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 6219354 DVJYKUQIFGIROQ-QGZVFWFLSA-N 319.364 2.831 0 40 DFAB CCOc1ncccc1C(=O)NC[C@@H](c1ccccc1)N(C)C 14093154 KHPKXOBKWADBBN-INIZCTEOSA-N 313.401 2.513 0 40 DFAB Cc1nn(C)c(N(C)C)c1CNCC1(c2ccc(F)cc2)CC1 65575376 HORUEFBJGMTOKS-UHFFFAOYSA-N 316.424 2.755 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2nc3ccccc3s2)CCO1 65613261 SJABDDLCNWRDIJ-LLVKDONJSA-N 305.403 2.617 0 40 DFAB O=C(Nc1ccccc1)N1CCCN(CCc2ccncc2)CC1 9423439 TVORUSLCKUVYGT-UHFFFAOYSA-N 324.428 2.864 0 40 DFAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1 5487480 WIJQUVZACFJVDC-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C2CC2)c2ccccc21 69055654 JAFVWRIABDTFFU-LJQANCHMSA-N 319.364 2.546 0 40 DFAB NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 5602421 RXMCOMJRBQEVBR-UHFFFAOYSA-N 322.408 2.542 0 40 DFAB CN(C)c1ncccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 66410671 CRDDSQKFDYTJCY-HNNXBMFYSA-N 310.357 2.604 0 40 DFAB COc1ccccc1C(=O)N1CCCN([C@@H]2C=CCCC2)CC1 66496583 YNFMGWIRANDWOY-MRXNPFEDSA-N 314.429 2.952 0 40 DFAB C[C@@H]1CN(CCC(=O)Nc2ccc3c(c2)CCC3)C[C@@H](C)O1 19889756 YHWWUONTQSLJCH-ZIAGYGMSSA-N 302.418 2.613 0 40 DFAB Cc1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)[nH]n1 96456440 MORWGNHTHOUZCX-INIZCTEOSA-N 313.401 2.582 0 40 DFAB CONC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 25824972 MCBQZZHJGKYOLD-UHFFFAOYSA-N 319.670 2.836 0 40 DFAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1C 7070134 FOKHRKINMCIRGZ-KRWDZBQOSA-N 321.384 2.712 0 40 DFAB CN(C[C@H]1CCCN1c1cccnn1)c1cnc2ccccc2n1 71859479 KUYTXBOIRNITMG-CQSZACIVSA-N 320.400 2.525 0 40 DFAB C[C@H]1CN(C(=O)c2cccnc2N2CCCCC2)CC(C)(C)O1 71831191 QLWZWXSWNPEPQS-AWEZNQCLSA-N 317.433 2.711 0 40 DFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccs1 7533675 ZPBQQXWJDXLMTR-UHFFFAOYSA-N 302.307 2.917 0 40 DFAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1 7698891 HWKRMVUSYRSNAN-UHFFFAOYSA-N 307.357 2.596 0 40 DFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCCCCC2)C1=O 16201866 IBNWNGMCPINXOT-AWEZNQCLSA-N 316.401 2.593 0 40 DFAB Cc1cc(N[C@H](CO)c2ccccc2)nc(-c2ccccn2)n1 68665209 BMKCWRGLQTWPSR-MRXNPFEDSA-N 306.369 2.993 0 40 DFAB COc1cccc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 16505558 FOTCNHKJOFSLEJ-UHFFFAOYSA-N 312.369 2.681 0 40 DFAB CCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 71903872 CKHZHXXGCBBVFC-LLVKDONJSA-N 313.348 2.700 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)c(C)nn2)c1C 70039814 DNOVVNJBVQDMAK-UHFFFAOYSA-N 301.346 2.503 0 40 DFAB C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)C(=O)N(C)C 69625206 AAOHAQOTOCYIQK-LBPRGKRZSA-N 321.384 2.580 0 40 DFAB Cc1ccc(N2CCC[C@H](NCc3nc4ccccc4o3)C2)nn1 69814848 NZRPWRWYFOYGMI-AWEZNQCLSA-N 323.400 2.685 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 69951643 RCFYSSLAXWBLOB-CQSZACIVSA-N 323.400 2.799 0 40 DFAB CC(C)Oc1ncccc1N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 94635443 FCHAZTDEGKHTPL-QWHCGFSZSA-N 312.435 2.637 0 40 DFAB Cc1cncc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 97038336 MGSKSBDUDZGESC-CYBMUJFWSA-N 319.430 2.813 0 40 DFAB C[C@@](NC(=O)NCc1cccc(Cl)c1)(C(=O)O)c1ccco1 72260236 ATJLXAGTVXBYIO-HNNXBMFYSA-N 322.748 2.732 0 40 DFAB CN(C[C@H]1CCCO1)[C@@H]1CCN(c2ccccc2Cl)C1=O 72277664 DASNGMQSNRKCSO-IUODEOHRSA-N 308.809 2.556 0 40 DFAB Cn1nccc1CCNC(=O)N[C@H]1CCCCc2ccccc21 97140182 IGNQHTIWRDOCRT-KRWDZBQOSA-N 312.417 2.730 0 40 DFAB CCN(Cc1ccoc1)C(=O)c1ccnc(O[C@H]2CCOC2)c1 97110212 UDUCRUGCAYHSRY-HNNXBMFYSA-N 316.357 2.505 0 40 DFAB O=C1NCCN(C(=O)C[C@H]2C=CCC2)[C@@H]1c1ccccc1Cl 97106879 ZYCNHAUGVRQSLU-BLLLJJGKSA-N 318.804 2.696 0 40 DFAB CSc1ccsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95977757 UKIYWEVXCVTTEZ-WCQYABFASA-N 305.424 2.858 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)n[nH]1 95953022 WDTDEKRKUSPQOG-OAHLLOKOSA-N 310.357 2.621 0 40 DFAB COC(=O)N1CCC(N[C@@H]2CSCCc3ccccc32)CC1 89401045 FMQHWBYBDJXQFZ-MRXNPFEDSA-N 320.458 2.837 0 40 DFAB O=C(CCn1ccc2cc(Cl)ccc21)NCc1ncc[nH]1 89807746 GMBIXAOLKWVXNY-UHFFFAOYSA-N 302.765 2.724 0 40 DFAB CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2c(C)n[nH]c2C)C1 76070111 MXRXMLZWSTWYKO-STQMWFEESA-N 310.467 2.571 0 40 DFAB CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(F)F)C1 408999250 QHTAAZRXDRHMOY-ZDUSSCGKSA-N 302.708 2.906 0 40 DFAB COCCCCN(C)C(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 1557064052 IUONNAJFEBVEJE-IYBDPMFKSA-N 319.449 2.937 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 79038983 ZVODFUAQHAPPJI-AWEZNQCLSA-N 308.353 2.601 0 40 DFAB Cc1c(C(=O)NCC(C)(C)N2CCOCC2)oc2ccccc12 32667737 GFCBWLIBUUJORN-UHFFFAOYSA-N 316.401 2.582 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 78987647 RTXGVJBRIBHWBD-GXTWGEPZSA-N 324.446 2.532 0 40 DFAB O[C@H]1CCCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)C1 72396579 RBZBBENUSLNCPX-LBPRGKRZSA-N 311.341 2.958 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216349959 COPNRBGCMYZHMV-DACLVMHWSA-N 310.482 2.804 0 40 DFAB CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCOc2ccccc21 75124770 QLJWJKDEKRVGGV-QAPCUYQASA-N 305.418 2.856 0 40 DFAB COc1cccc(C2(CN[C@@H]3C[C@H](C)OC3=O)CCCC2)c1 79030800 QDGDMIXRMLOLDS-XJKSGUPXSA-N 303.402 2.801 0 40 DFAB CCCNC(=S)Nc1nc(C)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225886727 CNLABAFQHBWMMA-VXGBXAGGSA-N 321.494 2.964 0 40 DFAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225605798 YIEVSQGIQXTNQS-INIZCTEOSA-N 309.362 2.540 0 40 DFAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCCC1 225433823 XRNIPPDHIHNGSY-JTQLQIEISA-N 304.321 2.770 0 40 DFAB biogenic,in-vitro COc1cccc(N(C)C(=O)c2ccc(OC)c(OC)c2)c1 222934238 NKIXSLFFEAJDOZ-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB Cc1cc(C)n(CCNC(=O)CSc2ccc(F)cc2)n1 44158882 IWWNVXKYUPYIKT-UHFFFAOYSA-N 307.394 2.548 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)/C=C/c2csc(C)n2)c(C)o1 80899726 ABDMQMYCCWLEDS-SQRWCISFSA-N 320.414 2.698 0 40 DFAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NCC 224553431 QRXGLNPUGJOHPM-MRXNPFEDSA-N 320.433 2.739 0 40 DFAB CCc1nnc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 192136567 IWZAXAVWJKYZNO-DOMZBBRYSA-N 309.316 2.530 0 40 DFAB CCn1ccnc1CNc1ncc(-c2ccc(OC)cc2)n1C 578431356 JUIALVAKTNXOFY-UHFFFAOYSA-N 311.389 2.924 0 40 DFAB COc1ccccc1SC[C@H](C)CNC(=O)c1nccn1C 96421359 YBGHOUCBXIRTLD-GFCCVEGCSA-N 319.430 2.587 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1ccc2[nH]ncc2c1)c1cccs1 97109110 KSEDGBCQIIJXNX-GFCCVEGCSA-N 315.354 2.570 0 40 DFAB O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCCN(c2ncccn2)C1 95472462 FXGUWXYNOYSOJX-CQSZACIVSA-N 321.384 2.813 0 40 DFAB Cc1ccccc1-c1noc([C@H](C)N2CCc3[nH]ncc3C2)n1 91078705 KAQZJRSJPAYAOW-LBPRGKRZSA-N 309.373 2.887 0 40 DFAB CC(C)Cn1ncc(NC(=O)N2[C@H]3CC[C@H]2COC3)c1C1CC1 333827787 KLDNVTOINPCTJU-KBPBESRZSA-N 318.421 2.812 0 40 DFAB COc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1 96110632 GNDWXZFSVSAJRR-OALUTQOASA-N 323.440 2.654 0 40 DFAB Fc1cccnc1O[C@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1 96107855 IJBPYENBNYZNST-PBHICJAKSA-N 318.348 2.626 0 40 DFAB CC1(C)[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)[C@@H]2CCO[C@H]21 230096168 PSSLEQYURXJJIU-LCGIIJARSA-N 318.392 2.926 0 40 DFAB Fc1ccccc1CN1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 96220150 ACABMNLWIFVQIW-KSZLIROESA-N 305.393 2.984 0 40 DFAB Cc1cc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c2cnn(C)c2n1 96449558 FLCWQEUAVQMHNP-CABCVRRESA-N 320.396 2.810 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257310487 UFGUEATZLUZTHX-QGZVFWFLSA-N 321.384 2.947 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](c3cnccn3)C2)c2ccccc21 257342674 ZPRCJVINQKVKIO-AWEZNQCLSA-N 320.396 2.988 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1 252477330 MEQYLQFEIRAROV-RPHLEKHZSA-N 322.474 2.915 0 40 DFAB O=C(O)c1coc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 571219438 FUSNTKLPPZKXGS-MRXNPFEDSA-N 315.369 2.811 0 40 DFAB Cc1cc(COc2ccc(C=O)cc2Br)nn1C 575410943 PLYNYWDTEKUSAX-UHFFFAOYSA-N 309.163 2.883 0 40 DFAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2c[nH]nc2C)C1 585274421 KWPXAMXEXBBVCJ-KRWDZBQOSA-N 319.380 2.527 0 40 DFAB CO[C@@H]1CN(C(=O)Cc2ccccn2)CC[C@@H]1Cc1ccccc1 585278256 AMHMPYQNFOSIKG-IEBWSBKVSA-N 324.424 2.730 0 40 DFAB O[C@@H]1[C@@H](NCc2ccccn2)CC[C@@H]1Oc1ccc(Cl)cc1 585283046 AWVJWZDZYJVLHZ-YESZJQIVSA-N 318.804 2.796 0 40 DFAB CC(C)(C)OC(=O)Nc1ncc([C@@H](O)c2ccncc2)s1 1083814350 QPHHJAFEFUJTBB-NSHDSACASA-N 307.375 2.967 0 40 DFAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cnn1C 58392960 MFAYMDCGWFTDEJ-HOTGVXAUSA-N 317.364 2.518 0 40 DFAB CCS[C@@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)C(C)C 89274772 NUHFYQMAZNVLHE-UONOGXRCSA-N 309.431 2.749 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(F)c2)CC1 96314282 GMCDNRVWYLPHAM-UHFFFAOYSA-N 324.352 2.581 0 40 DFAB Cc1cc(Br)cnc1NCc1ccc(C(N)=O)cc1 95965270 WUYDRPXPWFWOPV-UHFFFAOYSA-N 320.190 2.864 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)C1CC1)CC1(CCOCC1)O2 12337430 QXXTZPIKSRVQBS-OAHLLOKOSA-N 301.386 2.894 0 40 DFAB CN1C/C(=C/c2ccco2)c2nc(N)nc(-c3ccco3)c2C1 16957943 CWKSCGLFYTXHIF-FLIBITNWSA-N 308.341 2.898 0 40 DFAB CC[C@H](C)NC(=O)Cn1c([C@H]2CCCO2)cc2cccnc21 19499982 JHLQLINDGIGJDC-SWLSCSKDSA-N 301.390 2.803 0 40 DFAB CC(C)C(C)(C)CNC(=O)NCc1ccc([S@@](C)=O)cc1 186878103 UGGDYVAHIJBIBD-OAQYLSRUSA-N 310.463 2.905 0 40 DFAB CCCCN1C(=O)S/C(=C2\C(=O)Nc3ccc(F)cc32)C1=O 5552474 LEJDWHAYFYICDH-QXMHVHEDSA-N 320.345 2.984 0 40 DFAB COc1ccc(SCC(=O)NCCC2CCN(C)CC2)cc1 156357043 QNRNSUMQZUSDMP-UHFFFAOYSA-N 322.474 2.635 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3N)o2)C[C@H](C)O1 226301230 POCVCQDTEDEQMO-RYUDHWBXSA-N 300.358 2.778 0 40 DFAB CS(=O)(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226353450 GZKWPQOEZKEOTK-UHFFFAOYSA-N 315.734 2.670 0 40 DFAB Cc1cccnc1CN1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 643914921 ZHMRVKVPXJRELA-APWZRJJASA-N 314.404 2.955 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1ccco1)N1CCCC1 23982260 MJJIDJJKHZAALN-OAHLLOKOSA-N 314.385 2.855 0 40 DFAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)[C@H]1CC=CCC1 244909779 AVBHEXLGUGPSLI-HOCLYGCPSA-N 320.458 2.842 0 40 DFAB CCOC[C@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2cn(C)nc21 1565548966 KAXMOYPKHCGRAZ-QAPCUYQASA-N 317.433 2.629 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@@H]1C21CC1 66374 AJOZMNVJNWXRBZ-OAACRXHESA-N 301.317 2.677 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN=C1SCc1cccnc1 4061161 DKUIDXJOJAGIJM-UHFFFAOYSA-N 315.373 2.966 0 40 DFAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1cc2ccccc2[nH]1 575614223 PVMGMGZZQWTRAF-INIZCTEOSA-N 320.352 2.977 0 40 DFAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2ncccc2c1 585149895 YCHLXCVTCLABEP-UKRRQHHQSA-N 311.385 2.582 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@]1(O)CCc2ccccc21 75155662 RDJRBHYANULBBN-GOSISDBHSA-N 315.800 2.833 0 40 DFAB CCOC(OCC)c1n[nH]c2cnc(Br)cc12 2325712188 KSLKEMKWMLOUBZ-UHFFFAOYSA-N 300.156 2.792 0 40 DFAB O=C(N[C@H]1CCOc2ccccc21)c1cc(-c2cccnc2)on1 40544341 STJBQXGAEIXCDK-AWEZNQCLSA-N 321.336 2.990 0 40 DFAB C[C@H]1C[C@@H](OC(=O)c2cccnc2Oc2ccccc2)C(=O)O1 32736606 HSMDOMITTLCQEM-SMDDNHRTSA-N 313.309 2.735 0 40 DFAB CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccncc2)no1 22882968 VLSCJTJTCSBTCG-CQSZACIVSA-N 314.389 2.855 0 40 DFAB Cc1cccc([C@H](C)S(=O)(=O)c2nnc(C(C)C)n2C)c1 78807683 WYGWSXXUKUMAOX-LBPRGKRZSA-N 307.419 2.782 0 40 DFAB COC[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1 78936292 OJMHWBVSKCTMKM-SNVBAGLBSA-N 319.188 2.873 0 40 DFAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)nn1C 79464385 YGFABVCPAAQNEA-UHFFFAOYSA-N 310.357 2.955 0 40 DFAB CCN(CC)CCOc1cccc(NC(=O)CN(CC)CC)c1 1587108 IWHHBTGPNKZAEP-UHFFFAOYSA-N 321.465 2.688 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 1671436 VWUAQHVHCXFCFT-UHFFFAOYSA-N 304.390 2.724 0 40 DFAB Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C)c3C)n2)cc1 924226 DCRGYLLAENKZKV-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB COCc1ccccc1CNC(=O)c1cnc2ccccc2n1 25305059 TYPPTTLYCWCLIQ-UHFFFAOYSA-N 307.353 2.706 0 40 DFAB CCn1nccc1CN(C)C(=O)c1ccc(OC(C)C)cc1 28219312 QJQZZRYZFWFFPW-UHFFFAOYSA-N 301.390 2.962 0 40 DFAB Cn1ccnc1CN1CCN(Cc2c(F)cccc2Cl)CC1 57642359 XDTMESLAWGBKGW-UHFFFAOYSA-N 322.815 2.530 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccn(C)n1 44872963 KRCFHQSCZHGPSH-MDZDMXLPSA-N 321.384 2.875 0 40 DFAB C[C@@H]1CCCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nn1 44872291 USXFNSDFNOOMTQ-AUECHBEKSA-N 310.401 2.741 0 40 DFAB Cc1cc(CN(C)C(=O)NCCO[C@H]2CCCC[C@H]2C)no1 44970399 JFPKUOSTUKZMDR-DOMZBBRYSA-N 309.410 2.720 0 40 DFAB COc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1 44908532 FKEYDVXUSDTQIX-OAHLLOKOSA-N 314.410 2.732 0 40 DFAB O=C(NC1CCN(CCc2ccncc2)CC1)C1CCCCC1 58342480 XTWQLZCMWCGLBR-UHFFFAOYSA-N 315.461 2.785 0 40 DFAB O=C(OC/C=C/c1ccccc1)[C@H]1CCCN(c2ncccn2)C1 28125139 GPPXDAMMQDDUHB-MPNRVQBSSA-N 323.396 2.950 0 40 DFAB CNC(=O)c1ccc(CNC(=O)c2cc(C)c(C)s2)cc1 45150833 MLYCXJGMPWRVQR-UHFFFAOYSA-N 302.399 2.655 0 40 DFAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 36398016 MUOUFFAXQSGTMS-ZHACJKMWSA-N 309.369 2.873 0 40 DFAB CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccs1 58776821 XOOJCWOZXSCJKL-UHFFFAOYSA-N 318.508 2.737 0 40 DFAB CCN1C[C@H](C(=O)N2CCCc3cc(C(C)C)ccc32)CC1=O 58787696 MTSQMDRAMCBKFH-MRXNPFEDSA-N 314.429 2.958 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CCC(CC(N)=O)CC3)cc2c1C 48386755 OHJDDRCHMPMBDR-UHFFFAOYSA-N 313.401 2.512 0 40 DFAB Cc1cc(C(=O)NCCNc2ncc(Cl)cc2Cl)on1 47163395 RAPBMGXHLTUSMP-UHFFFAOYSA-N 315.160 2.527 0 40 DFAB CNC(=O)NC(=O)[C@H](C)S[C@H](C)c1c(F)cccc1F 49065135 FVIHNQKTFCVRLJ-SFYZADRCSA-N 302.346 2.603 0 40 DFAB Cc1ccc(C(=O)N2CCCN(c3nccs3)CC2)s1 49138525 VBLNRAYPDDFCBN-UHFFFAOYSA-N 307.444 2.866 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccsc2)cc1 13427253 GARKRGWYXOELDG-CYBMUJFWSA-N 305.355 2.703 0 40 DFAB CCOCC(=O)Nc1ccc(Br)cc1C(C)=O 96010269 PMNAUWQVZZQYBT-UHFFFAOYSA-N 300.152 2.627 0 40 DFAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)COCC1CC1 65494054 HHGIUDKSOVOBQH-CQSZACIVSA-N 305.422 2.558 0 40 DFAB COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H](C)C(C)C)C1 65491293 VMYRYURROQOEIJ-GJZGRUSLSA-N 319.449 2.865 0 40 DFAB COc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1C 65595353 CBNGQANQLNZEBM-DOTOQJQBSA-N 312.369 2.783 0 40 DFAB O=c1oc(-c2cccs2)nn1CN1CCc2sccc2C1 14310153 GQKLHBLBBBIKBP-UHFFFAOYSA-N 319.411 2.642 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2ccccc21 170673251 ZLHVIDQRVOXBFP-ZDUSSCGKSA-N 308.385 2.921 0 40 DFAB Cc1cccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1 4852630 YVPQDUMSSGCGAW-UHFFFAOYSA-N 321.384 2.778 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2[nH]nc3ccccc23)c1C 4824578 LHSNSIFJVMLHOT-UHFFFAOYSA-N 323.352 2.975 0 40 DFAB Cc1ccc2c(C)nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc2c1 6813358 KXUDJOZXXYRQBV-UHFFFAOYSA-N 307.357 2.562 0 40 DFAB biogenic Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)s2)n1 15379149 OKDHQAIBWOPJEP-UHFFFAOYSA-N 300.792 2.768 0 40 DFAB CCc1ccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)cc1 7040576 SLQXRXWEQQBTOX-UHFFFAOYSA-N 321.384 2.566 0 40 DFAB O=C(NC1CCSCC1)N1CCO[C@H](c2ccccc2F)C1 67416830 NGYNPSIXBSXDKI-HNNXBMFYSA-N 324.421 2.804 0 40 DFAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)O)cc1 7409080 ALOAIUJKCAFURK-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB CCn1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cn1 72265187 JIMCUDUDYUQTGD-UHFFFAOYSA-N 313.401 2.898 0 40 DFAB Cc1noc2nc(C3CC3)cc(-c3nc([C@H]4CCOC4)no3)c12 96462787 JVSLDDZVFYGHBM-JTQLQIEISA-N 312.329 2.963 0 40 DFAB CCCN1C(=O)CCc2cc(NC(=O)C3CCOCC3)ccc21 91062971 GAJLEEXPNJHLPZ-UHFFFAOYSA-N 316.401 2.741 0 40 DFAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@H](n2cccn2)C1 69348495 ZUWNKMIRWISKIZ-KRWDZBQOSA-N 321.384 2.546 0 40 DFAB COCCC(=O)Nc1ccccc1-n1cc(Br)cn1 71874762 XTSBYWYWYKDHFR-UHFFFAOYSA-N 324.178 2.610 0 40 DFAB CCn1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)n1 28244324 YCSVEKXRZYENQY-UHFFFAOYSA-N 309.373 2.709 0 40 DFAB Cc1ccc(CN(C)C(=O)NCCNC(=O)C2CCCC2)s1 69739357 DZLXOBMDEHCJBM-UHFFFAOYSA-N 323.462 2.504 0 40 DFAB COc1ccc(F)cc1CSCC(=O)Nc1cc(C)nn1C 69772535 OSNIJYMEWYHHMQ-UHFFFAOYSA-N 323.393 2.748 0 40 DFAB Cn1cccc1C(=O)CSc1n[nH]c2nc3ccccc3n12 8746576 ITUPJFPDCGABAQ-UHFFFAOYSA-N 311.370 2.524 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C)on2)cc1 8944993 SIZMRXJXGOLNAU-RMKNXTFCSA-N 300.314 2.812 0 40 DFAB Cc1csc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1 72306275 GTVDRXXJLHXXGE-LLVKDONJSA-N 313.386 2.523 0 40 DFAB C[C@H](CN(C)C(=O)c1occc1COc1ccccc1)C(=O)O 95389902 CFRUBGQCWZNMHE-GFCCVEGCSA-N 317.341 2.651 0 40 DFAB Cc1cccc(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 95426095 BYWXNOCEKSEFND-DOTOQJQBSA-N 320.458 2.849 0 40 DFAB COc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 95462657 YJXYZSWFHBGIJM-UWJYYQICSA-N 303.427 2.905 0 40 DFAB CCNC(=O)c1ccc(N[C@@H]2CCOC3(CCCCC3)C2)nn1 95425697 IOLQYZFYUGSFSF-CYBMUJFWSA-N 318.421 2.520 0 40 DFAB Nc1nccnc1C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 95413736 TZYXHCYCAOAWRB-KDOFPFPSSA-N 308.385 2.600 0 40 DFAB C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](O)c1ccc(F)cc1 95429970 NPIDGDSWISBWSA-FZKQIMNGSA-N 317.360 2.833 0 40 DFAB O[C@@H](COCc1ccco1)Cn1ccc(-c2ccc(F)cc2)n1 95438784 CCCHWWPGYFUNKN-OAHLLOKOSA-N 316.332 2.860 0 40 DFAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 95977899 DLYBNBLNYSXDFU-NWDGAFQWSA-N 306.362 2.768 0 40 DFAB O[C@@H](CNC1CCCC1)COc1ccc(Br)cc1 32231967 GPBKEXFGPHZANX-ZDUSSCGKSA-N 314.223 2.721 0 40 DFAB O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1CCCN(c2ncccn2)C1 79475192 CYSLOJBRCUFUGJ-CQSZACIVSA-N 321.384 2.813 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N(C)Cc1ccnn1C 32609574 ZSCYCHVFEDRINL-UHFFFAOYSA-N 308.769 2.746 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(Cl)cc1 31594702 GBORFMUOKDUBPY-AWEZNQCLSA-N 303.793 2.810 0 40 DFAB CC(C)N(Cc1ccccc1)C1CCC(NCC(=O)O)CC1 79416197 AZUNQKUPAYWDEF-UHFFFAOYSA-N 304.434 2.882 0 40 DFAB CCCn1nccc1NC(=O)N[C@H](CCCO)c1ccccc1 77517085 DBFGAHXRIILCFP-OAHLLOKOSA-N 316.405 2.928 0 40 DFAB O=C1N(c2ccccc2)Cc2nn(CC3CCCCC3)c(=O)n21 1547201239 RSSGIKJTKUGYCB-UHFFFAOYSA-N 312.373 2.613 0 40 DFAB c1ccc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)cc1 72378661 ZEGLJCCEEDLBKU-KRWDZBQOSA-N 305.385 2.999 0 40 DFAB O=C(CN[C@@H](c1ccccc1)C1CCCC1)NC1CCOCC1 78923038 ZPNMKOIGTJWUPJ-IBGZPJMESA-N 316.445 2.803 0 40 DFAB COC(=O)NCCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 78151007 YRDNSQIVNWFTHS-CVEARBPZSA-N 318.417 2.650 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2cccnc2)cc(OC)c1OC 32731632 NNAYQVUQEKSNAI-NSHDSACASA-N 316.357 2.598 0 40 DFAB COc1ccc(Cc2noc([C@H]3C[C@H]4CC[C@@H]3O4)n2)cc1OC 73335326 JHYNVADYZJPQKO-AGIUHOORSA-N 316.357 2.713 0 40 DFAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227948 ZTVQYHBQBXNFJP-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB C[C@@H]1CN(CC(=O)NCc2ccc(Cl)s2)CCC1(F)F 568332186 LJMREDHRNCTKDQ-SECBINFHSA-N 322.808 2.995 0 40 DFAB COc1ccc(-c2noc(C(=O)N3CCCC3)c2[C@H](C)O)cc1 225429497 OQMJXIHQEKSKBJ-NSHDSACASA-N 316.357 2.640 0 40 DFAB biogenic,in-vitro Cc1cccc2cc(C(=O)NCCCOC(C)C)c(=O)oc12 226035523 QUOMDSRJEHVKTG-UHFFFAOYSA-N 303.358 2.646 0 40 DFAB CC(C)N1CCN(CCCN2CCCc3ccccc3C2)CC1 192736862 DYRSOXIMOIXGEG-UHFFFAOYSA-N 315.505 2.851 0 40 DFAB C[C@@]1(CNC(=O)N[C@H]2CCOc3c(F)cccc32)CCCO1 195574877 VKJKKDFQDOEHNB-BBRMVZONSA-N 308.353 2.518 0 40 DFAB COC[C@H](NC(=O)N1CCSCC1)c1ccc(Cl)cc1 194647140 ZGDUSEMUXFCAJP-ZDUSSCGKSA-N 314.838 2.786 0 40 DFAB CCOc1cccc(CNC(=O)COc2ccccc2F)c1 48376287 DTHIINHGFJVDPR-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB O=C(CN[C@@H]1CCCOc2cc(F)ccc21)NCc1ccco1 195557614 KSXFJYBLPYXBKW-OAHLLOKOSA-N 318.348 2.538 0 40 DFAB CC(C)N1CC[C@H](N[C@H](C)c2ccc(F)cc2N(C)C)C1=O 89728989 KOZSCQNSIRGYEW-DOMZBBRYSA-N 307.413 2.552 0 40 DFAB CCOC(=O)C(C)(C)c1csc([C@@H]2CN3CCC[C@H]3CO2)n1 225570554 SESABZQAOJDMBI-RYUDHWBXSA-N 324.446 2.520 0 40 DFAB CC(=O)NCCCCCC(=O)NC1(c2ccccc2F)CC1 96412126 IUPLDWWEDSRUFB-UHFFFAOYSA-N 306.381 2.628 0 40 DFAB Cc1cc(C)nc(N[C@@H](CN2CCOCC2)c2ccccc2)n1 97091572 GTZNAPWTIAISCM-KRWDZBQOSA-N 312.417 2.579 0 40 DFAB COc1ncnc2c1CN(Cc1cccc3cccnc13)CC2 97202124 AXAZSMVBRNTIHG-UHFFFAOYSA-N 306.369 2.592 0 40 DFAB COc1ccc(CN2CCNC(=O)[C@@H]2c2cccs2)cc1F 96443540 WPJKUOFUVBXEOW-HNNXBMFYSA-N 320.389 2.569 0 40 DFAB CO[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1Cc1ccccc1 96110158 AUVFUQNXBVVWKV-ZWKOTPCHSA-N 310.397 2.801 0 40 DFAB CC[C@H]1C[C@H](C(=O)N(C)c2cccnc2N2CCCC2)CCO1 97235982 VGENRHHYZSPZEC-CABCVRRESA-N 317.433 2.850 0 40 DFAB Cc1noc2ncc(S(=O)(=O)N3CCCC(C)(C)CC3)cc12 96428338 QKNKHMSYTCNBOC-UHFFFAOYSA-N 323.418 2.732 0 40 DFAB c1ccc(N[C@@H]2CCO[C@]3(CCN(Cc4ccoc4)C3)C2)nc1 96207053 SQLWMSCXZABUPF-SJLPKXTDSA-N 313.401 2.910 0 40 DFAB C1CO[C@H]2CCN(CC3CCOCC3)C[C@@]2(COCC2CC2)C1 96057029 DVKOINZEOMRZBI-RBUKOAKNSA-N 323.477 2.711 0 40 DFAB O=S1(=O)CCC[C@@H]1CNCc1ccc(SC(F)F)cc1 96500760 YRDTWTXQWYNZAX-GFCCVEGCSA-N 321.414 2.668 0 40 DFAB Cc1nc2n(n1)C[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 249398594 UFESEWDLHKRCQW-GRYCIOLGSA-N 302.344 2.612 0 40 DFAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2c[nH]cn2)n1 257240714 HUTXXMFRZXMPGD-MRXNPFEDSA-N 324.388 2.809 0 40 DFAB COC(=O)C1CCC(NC[C@@H](O)c2ccccc2Cl)CC1 252488355 IQAKKYFWSVNEDJ-KOHJWAIASA-N 311.809 2.695 0 40 DFAB CC(=O)N1CCN(Cc2ccc(C)nc2)[C@@H](c2ccccc2)C1 257338108 YVWFMJBINSPAPU-LJQANCHMSA-N 309.413 2.795 0 40 DFAB CN(CC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccc1 64385237 VDKOWRCSEKKEDD-UHFFFAOYSA-N 310.401 2.757 0 40 DFAB CN(C)c1cc([C@@H]2CCCN(Cc3cncs3)C2)ccn1 257284457 PCTXBCQVIGYNMP-CQSZACIVSA-N 302.447 2.984 0 40 DFAB CNC(=O)[C@]1(C)CCCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C1 585285379 YASLFNOPEYVAQU-LZQZEXGQSA-N 324.509 2.802 0 40 DFAB CN(C)c1nc([C@H]2CCCN2c2ncccn2)cn2cccc12 585178764 KSLLYYBFNHQYKU-CQSZACIVSA-N 308.389 2.532 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc(F)cc1F 40086418 CBTMNNSNCIMWOT-CQSZACIVSA-N 310.275 2.959 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(-c2ccccc2)cn1 58019157 UGAOISUBUUVYKW-CJNGLKHVSA-N 323.396 2.849 0 40 DFAB Cn1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1=O 58267561 IZLWTFYKEKSVKC-UHFFFAOYSA-N 321.308 2.526 0 40 DFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC=CCC1 75170253 ZTTAXHJEPCJXKZ-DOMZBBRYSA-N 313.319 2.909 0 40 DFAB Cc1cccc([C@@H]2C[C@H]2[C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75123806 SBJKFOLZGCLTBA-COXVUDFISA-N 310.397 2.914 0 40 DFAB CCc1nn(C)c(OC)c1CNC(=O)Nc1ccc(F)cc1F 92976885 PJOUHYNYARKFTL-UHFFFAOYSA-N 324.331 2.591 0 40 DFAB COc1ccc(Cl)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 97371096 KJAXSLABJVKKKV-CQSZACIVSA-N 353.752 4.602 0 40 DFAB COc1ccccc1NC(=O)N[C@@H]1CCCCC12OCCO2 89481759 LIPMTMIJKHFRAP-CQSZACIVSA-N 306.362 2.502 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncccc3F)C[C@@H]2C1 193046081 OWYWLMVGKBWEBO-TXEJJXNPSA-N 307.369 2.524 0 40 DFAB CCCC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 5857462 QIGYSQRACUSIBK-UHFFFAOYSA-N 307.419 2.894 0 40 DFAB CCCc1cc(C(=O)N[C@H](c2ccccc2)c2ccnn2C)[nH]n1 12147215 ZLCICOYTJUKGPE-QGZVFWFLSA-N 323.400 2.615 0 40 DFAB Cc1cc2nc(C3CCN(Cc4ccoc4)CC3)cc(N)n2n1 13226853 AFANRYQBMQCUHG-UHFFFAOYSA-N 311.389 2.593 0 40 DFAB CO[C@H]1CN(Cc2cnn(C)c2)CC[C@@H]1Cc1ccccc1F 643914337 PAVAMQBEECGERW-AEFFLSMTSA-N 317.408 2.639 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)nc(C2CC2)n1 1888856708 CPPQVPNGIMRHKG-UHFFFAOYSA-N 311.341 2.686 0 40 DFAB O=C(NC[C@@H]1CCOC1)c1ccc(-n2cnc3ccccc32)cc1 41373525 STEXPRSOFFCKGL-AWEZNQCLSA-N 321.380 2.792 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)C[C@@H]1C(=O)O 2527717 JPNHKKRLLDYCIZ-UONOGXRCSA-N 305.374 2.939 0 40 DFAB CCc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)cc1 10273021 BUZWHNBCJOYUPJ-UHFFFAOYSA-N 321.384 2.973 0 40 DFAB O=S(=O)(NCCc1ccsc1)c1cc(F)ccc1F 13725151 QEKDGBQPEHEVBU-UHFFFAOYSA-N 303.355 2.547 0 40 DFAB Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1 100936968 PFCRYAHDAKQGJT-MWDDYTRKSA-N 304.349 2.855 0 40 DFAB Cc1ccc(S(=O)(=O)/N=c2/sc3ccccc3n2C)cc1 101239313 OSRGOJAHRLMKIG-FOCLMDBBSA-N 318.423 2.838 0 40 DFAB CCCCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1 40122379 ZQBVCODJQRWGSK-UHFFFAOYSA-N 314.385 2.526 0 40 DFAB O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCCCC1 11620 RQDZEMWKEQRMCW-MRXNPFEDSA-N 316.401 2.800 0 40 DFAB Cc1cccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1 100327267 SQAZTVFADFUHOA-UHFFFAOYSA-N 308.337 2.805 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1cccs1 40497553 PDMSUQKOERDJKF-OLZOCXBDSA-N 316.430 2.632 0 40 DFAB NNc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 127686 SQGVRRFIRZBVFD-UHFFFAOYSA-N 307.361 2.513 0 40 DFAB C[C@H]1CN(C(=O)NCc2cccc(OC(F)F)c2)C[C@@H](C)O1 51304215 MHEYBCRGQPCQCS-PHIMTYICSA-N 314.332 2.607 0 40 DFAB CCc1ccc([C@@H](c2nc(CC(=O)O)cs2)N(C)C)cc1 32198896 WLRTXBIMEJYFGQ-HNNXBMFYSA-N 304.415 2.984 0 40 DFAB Cc1ccsc1C(=O)NCc1ccc(Cn2cncn2)cc1 32868938 IPHDMVVFSHORNR-UHFFFAOYSA-N 312.398 2.626 0 40 DFAB Cc1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)sc1C 33044176 LOOPJLFRRSSBIA-UHFFFAOYSA-N 312.398 2.876 0 40 DFAB CCN(CC)[C@@H](CNC(=O)CN1CCC[C@H](C)C1)c1ccco1 52867249 HERVYXKBLZHRFF-HOTGVXAUSA-N 321.465 2.511 0 40 DFAB C[C@]12CCC(=O)N1[C@@H](C(=O)NC1CCCCCCC1)CS2 22962137 RWNQSDUJXQPCTE-CJNGLKHVSA-N 310.463 2.670 0 40 DFAB Cc1ccc2cccc(SCC(=O)NC[C@@H]3CCCO3)c2n1 36162 CYMNCRLLZRDTKF-AWEZNQCLSA-N 316.426 2.931 0 40 DFAB COc1cc(CNC(=O)c2cccs2)cc(OC)c1OC 31375 CAZMYFSQLDNCBX-UHFFFAOYSA-N 307.371 2.704 0 40 DFAB CC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 318444 OUWJMLWHDHFJKR-SECBINFHSA-N 303.328 2.695 0 40 DFAB Cc1ccc(C(=O)NC(=S)Nc2ncccc2O)c(C)c1 557992 ZDGDIKUCPKPQIO-UHFFFAOYSA-N 301.371 2.531 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccncc1)C1CC1 47630274 NPDUUUSUNPNJBX-UHFFFAOYSA-N 324.380 2.934 0 40 DFAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1F 23149591 HYVPQGHTYDBCJJ-UHFFFAOYSA-N 314.295 2.857 0 40 DFAB FC(F)(F)c1cc([C@H]2CCCN(C[C@@H]3CCOC3)C2)n[nH]1 78900967 LUEVLPFBXRFDMK-QWRGUYRKSA-N 303.328 2.644 0 40 DFAB COc1cc(C(=O)N2CC[C@H](C(C)C)C2)cc2c1OCCO2 79070403 IJIHARRJAGQPQN-LBPRGKRZSA-N 305.374 2.585 0 40 DFAB CN1CCN(c2ccc(C(=O)O)s2)[C@H](c2ccccc2)C1 79050923 OMYLQPFRSFRGAV-ZDUSSCGKSA-N 302.399 2.939 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2c(O)cccc2O)c(C)c1 79076388 YPAUVOPKFNKDJX-UHFFFAOYSA-N 315.325 2.510 0 40 DFAB CC(C)n1cnnc1SCC(=O)N1CCc2ccccc21 4768462 TTXKGHFYWKSALY-UHFFFAOYSA-N 302.403 2.540 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc(-n3ccnc3)nc2)c1 24543808 VVCCUXZJXWRMDN-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB CCOC(=O)N(C)C1CCN(Cc2ncc(C(C)C)o2)CC1 95396750 LOMVBORAOFTCTD-UHFFFAOYSA-N 309.410 2.851 0 40 DFAB O=C(NCC1CC1)[C@H]1CCCN(c2ccnc3ccccc23)C1 95394687 GXCDEJWGKZXPND-HNNXBMFYSA-N 309.413 2.977 0 40 DFAB O=C(c1nnn(-c2ccccc2)c1C1CC1)N1C[C@H]2CC[C@H]1C2 105940669 HMPJZECSTJZFDQ-WFASDCNBSA-N 308.385 2.769 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(C(F)(F)F)nc1 71283978 PHCXHQXNQRMXFS-UHFFFAOYSA-N 324.258 2.980 0 40 DFAB CCCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1775270 LPJZUYZLNLMKLD-SNVBAGLBSA-N 320.414 2.536 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1N 12601022 TTXMUZMDHOFHOC-AXAPSJFSSA-N 318.417 2.675 0 40 DFAB Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)oc2ccc(Cl)cc12 62117953 VZLMPJCKPLKFHB-VIFPVBQESA-N 307.733 2.941 0 40 DFAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2cc(C)no2)c1 58417501 GDKKBWMRQQDXRX-UHFFFAOYSA-N 300.358 2.879 0 40 DFAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1 51353991 KFPOUDKHPBVUAM-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB COc1ccccc1[C@H](NC(=O)c1ncoc1C)c1ccccn1 89849217 XBPHVKHRPRGRSI-KRWDZBQOSA-N 323.352 2.906 0 40 DFAB Cc1cc(C)cc(C(=O)OCC(=O)NCc2cccs2)c1 3363431 NZJAGBSFWSOZKG-UHFFFAOYSA-N 303.383 2.838 0 40 DFAB Cc1cc(NC(=O)NCc2cccc(NC(=O)C3CC3)c2)no1 12884139 GJNOCDWFLHESSO-UHFFFAOYSA-N 314.345 2.653 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1F 12975522 VHPLBVOVOYBCCY-UHFFFAOYSA-N 306.362 2.954 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)NCc2cccnc2)cc1 76018988 ZMECUXSPCYHRMR-GFCCVEGCSA-N 302.399 2.887 0 40 DFAB CC[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 4074051 CARZWZVFSHUEKS-OWRWGESLSA-N 318.442 2.950 0 40 DFAB biogenic COc1cc(OC)c([C@@H]2CC(O)=Nc3c2cnn3C)cc1OC 49548076 MNSZMXVIXCCYTL-VIFPVBQESA-N 317.345 2.570 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)Nc3cn[nH]c3)cc2)C[C@H](C)O1 64709642 CIMZXJGVRQPGCU-RYUDHWBXSA-N 315.377 2.667 0 40 DFAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)on1 14199156 MGAMKJAZAOOAEL-VIFPVBQESA-N 315.398 2.928 0 40 DFAB Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 4549333 DUVLUOZOVRMVER-UHFFFAOYSA-N 307.357 2.596 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](c2cc3ccccc3o2)N1 9319438 NJFGUDCAICKHRH-OAHLLOKOSA-N 303.325 2.879 0 40 DFAB CCCn1cc(I)c(COC(C)C)n1 408715916 GRLQAYHWBDXYHW-UHFFFAOYSA-N 308.163 2.823 0 40 DFAB O=C(NCCc1ccncc1)c1[nH]nc2c1CCc1ccccc1-2 95474405 WZEZGJJBCBYVHL-UHFFFAOYSA-N 318.380 2.543 0 40 DFAB CC[C@@H](NC(=O)c1ccc(OCc2cccs2)cc1)C(=O)O 95425111 ACJCQGFAWGUNEL-CQSZACIVSA-N 319.382 2.920 0 40 DFAB CSC[C@H](C)C(=O)NC[C@H]1COC2(CCCCCC2)O1 95464451 DYDQZWWDBDSPHK-STQMWFEESA-N 301.452 2.568 0 40 DFAB COc1cc(CNc2ccc(N3CCCC3=O)cn2)ccc1F 95437450 HBTKMIDTCMNLNK-UHFFFAOYSA-N 315.348 2.968 0 40 DFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 4740419 BUJYWBKQEQPWRK-UHFFFAOYSA-N 312.435 2.702 0 40 DFAB O=C(c1cncc(-c2ccccc2)c1)N1CCCC2(C1)OCCO2 95443538 RDUOVRGYXQEMTH-UHFFFAOYSA-N 324.380 2.728 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)OC(=O)c1ccco1 23078903 HGBCHGFLQMXRLW-ZIAGYGMSSA-N 315.369 2.962 0 40 DFAB CCNC(=O)c1cccc(Oc2ncc(Br)cn2)c1 67370808 ICMGWMVXNDQXML-UHFFFAOYSA-N 322.162 2.781 0 40 DFAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccccc1 7221199 VSNWLSZPVPCDAZ-CYBMUJFWSA-N 312.369 2.874 0 40 DFAB CCCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)n[nH]c1=O 7530471 FJJIDEZQQIYHMN-LLVKDONJSA-N 319.430 2.907 0 40 DFAB Cc1cc(C)c(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)[nH]1 95415057 MBTKODVNPBQIID-MRXNPFEDSA-N 313.401 2.848 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)CNC(=O)c2ccccc2)C1 71899718 FJSPNNBMVCRAFS-OAHLLOKOSA-N 320.458 2.551 0 40 DFAB Cc1cccc(-c2nc(CN3CC(n4nc(C)cc4C)C3)no2)c1 71880934 MXTAYQUEVMEKIP-UHFFFAOYSA-N 323.400 2.915 0 40 DFAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(C)(C)C 8257657 FZZIRYBTNDXWCR-VIFPVBQESA-N 308.451 2.886 0 40 DFAB O=C1CC[C@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)CN1 69348745 UUWRKLQQBCQKIW-ZDUSSCGKSA-N 315.417 2.896 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c1 69702942 UYVAUQBADOZXQV-FQEVSTJZSA-N 323.439 2.842 0 40 DFAB Cc1cccc2c(CCC(=O)N[C@H]3CC[C@H](C(=O)O)C3)c[nH]c12 97039370 KZCOEHYSZFLAJG-JSGCOSHPSA-N 314.385 2.778 0 40 DFAB COc1cc(CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1O 97034706 GMMOZDCFCXQNIZ-OLMNPRSZSA-N 317.429 2.881 0 40 DFAB Cc1nc2ccccc2c(NC[C@@H]2CCCS2(=O)=O)c1C 97086015 DRIHMHYGDPTHIU-ZDUSSCGKSA-N 304.415 2.841 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)c3ccsc3)C2)no1 72291365 UBDLPBDSYBIPPV-ZYHUDNBSSA-N 305.403 2.949 0 40 DFAB CSc1c(F)cc(NC(=O)N2CCCN(C)CC2)cc1F 97107726 JKHJZVAUCKBOPE-UHFFFAOYSA-N 315.389 2.856 0 40 DFAB Cc1cccc2c(CCC(=O)N[C@@](C)(C(=O)O)C3CC3)c[nH]c12 97231269 RMQZHGLAAMWWMY-GOSISDBHSA-N 314.385 2.778 0 40 DFAB O=C(NCc1ccncc1)Nc1cc(Cl)cc2c1OCC2 97380025 YQIPMEUHEGEIHU-UHFFFAOYSA-N 303.749 2.992 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 95978396 KZAQUVORJSLQQY-IUODEOHRSA-N 307.438 2.938 0 40 DFAB NC(=O)c1ccccc1NCc1nnc(-c2cccc(F)c2)o1 75110271 DYRHVHIZPZQHSF-UHFFFAOYSA-N 312.304 2.587 0 40 DFAB CC(=O)c1ccccc1C(=O)NCCCNc1ccc(C)cn1 89652302 TZRUQQUYBDZRMY-UHFFFAOYSA-N 311.385 2.825 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)[C@@H]1C[C@H]1c1cccc(F)c1F 76083901 SIOCTDXFFABBSE-SCRDCRAPSA-N 323.364 2.980 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H]1CC1(Cl)Cl)C2=O 23220259 AHDKLUSBDWCGIB-PTRXPTGYSA-N 305.205 2.681 0 40 DFAB CC(C)(C)OC(=O)N1CCOC[C@]12CCc1ccc(N)cc12 306145631 LBJNKBWTJFWBFH-KRWDZBQOSA-N 304.390 2.678 0 40 DFAB Cc1nc(/C=C/c2scnc2C2CC2)nc(O)c1CC(=O)O 556778964 MRETYPXZPCLNMO-SNAWJCMRSA-N 317.370 2.622 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC)c(N)c2)c(OC)c1 32187128 FYADSKWLJITPHP-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB CC(C)C(=O)N1CCC[C@]2(CC1)CN(C)Cc1ccccc1O2 72394774 HJANMCVGVVULFC-IBGZPJMESA-N 316.445 2.918 0 40 DFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCC(C(=O)OC)CC1 219591117 AQMILNLVJPFXEC-MRXNPFEDSA-N 319.401 2.564 0 40 DFAB Cc1cc(C(=O)NC2CC2)c2c(C)nn(-c3ccccc3)c2n1 36611687 DTRFLJRRYMMJIW-UHFFFAOYSA-N 306.369 2.930 0 40 DFAB CCN1CCN(C(=O)c2cc(C(C)(C)C)ccc2OC)CC1 72206495 LNRBMPXULUHZEK-UHFFFAOYSA-N 304.434 2.770 0 40 DFAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCN(C)CC1 216867744 KWHJLBNGGLZKOC-UHFFFAOYSA-N 324.428 2.581 0 40 DFAB O=C(NCCSC1CCCC1)[C@@H]1COc2ccccc2O1 46450451 MHXYOQNRQKRQKZ-HNNXBMFYSA-N 307.415 2.618 0 40 DFAB COc1cccnc1N1CCC(CC(=O)NC2CCCC2)CC1 527858500 KUMGIVWUVYNKPM-UHFFFAOYSA-N 317.433 2.756 0 40 DFAB CC[C@H](C(=O)NCc1nccc(N2CCCC2)n1)c1ccccc1 224152381 IAUMWSAFQMWVRT-INIZCTEOSA-N 324.428 2.887 0 40 DFAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ccc2c(c1)CCC2=O 529109483 KSZTYSUXGLEWOH-GTNSWQLSSA-N 300.358 2.505 0 40 DFAB Cc1ccc(N2C[C@H](c3noc(-c4ccccn4)n3)CC2=O)cc1 49060429 XBWUIYIEFOEYRU-CYBMUJFWSA-N 320.352 2.961 0 40 DFAB O=C(O)C[C@H](CC(=O)Nc1nccs1)c1ccc(F)cc1 226750486 CSAKSZUHPFYXCJ-JTQLQIEISA-N 308.334 2.869 0 40 DFAB O=C(NC1=NCCS1)c1ccc(Oc2nccs2)cc1 225636048 CJRGBPLVDQYLKI-UHFFFAOYSA-N 305.384 2.768 0 40 DFAB CCOc1cc(C(=O)Nc2cccc(OC(F)F)c2)ncn1 225532643 LUUPLMVXNGOFHW-UHFFFAOYSA-N 309.272 2.729 0 40 DFAB C[C@H]1CCCN(CCNC(=O)N[C@@H](C)c2ccc(F)cc2)C1 40138972 LQTRDEWMMVOIQA-KBPBESRZSA-N 307.413 2.918 0 40 DFAB Cc1cc(C)cc(-n2nc(NC(=O)NCC[C@@H](C)O)cc2C)c1 96495651 CVICHKGJQDHORH-CQSZACIVSA-N 316.405 2.690 0 40 DFAB O=C(Cc1ccc2c(c1)OCC2)N1CCO[C@H](c2ccccc2)C1 95475469 ZPOULISICCGPQG-IBGZPJMESA-N 323.392 2.764 0 40 DFAB c1cncc(O[C@H]2COC3(CCN(Cc4ccco4)CC3)C2)c1 96047882 XTJSZLRCDGHMSV-QGZVFWFLSA-N 314.385 2.877 0 40 DFAB O=C([C@H]1COc2ccccc21)N1CCOC[C@H]1c1ccccc1 96433022 UIRHHTBVDBBEGU-IRXDYDNUSA-N 309.365 2.763 0 40 DFAB CC(C)c1ccc(CCCN[C@@H]2CCCS(=O)(=O)C2)cc1 97230711 PZQZQZCEAZIYQB-QGZVFWFLSA-N 309.475 2.909 0 40 DFAB COC(=O)c1cccc(NCc2cn3c(C)cc(C)nc3n2)c1 96453955 ODDIBRBGJANTMV-UHFFFAOYSA-N 310.357 2.745 0 40 DFAB O=C(NCCCNC(=O)Oc1ccccc1)Oc1ccccc1 142370945 ICPYYOQYSVJEFR-UHFFFAOYSA-N 314.341 2.954 0 40 DFAB CC1(C)C[C@@H](N[C@@H]2CCN(c3ncccc3F)C2)C(C)(C)O1 95423723 NYFFRXAEEGCHGA-TZMCWYRMSA-N 307.413 2.735 0 40 DFAB Cc1nc(NCc2nnc3n2CCCC3)c2sccc2n1 91950908 ZSWSEBWKUDGCFN-UHFFFAOYSA-N 300.391 2.540 0 40 DFAB O=C(COCC1CC1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 96417196 NYNYZKJEDPWXAW-AWEZNQCLSA-N 322.380 2.782 0 40 DFAB COc1ccc2oc(=NCc3ccccc3)c(C(N)=O)cc2c1 252429386 JNPBMMCDVNPKCR-UHFFFAOYSA-N 308.337 2.641 0 40 DFAB c1c[nH]c(CN2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n1 257222689 DUJBIUUATXZAMS-OAHLLOKOSA-N 311.385 2.847 0 40 DFAB Cc1nccc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 257292700 QMPNBBRXEMQAIM-UHFFFAOYSA-N 316.430 2.744 0 40 DFAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](F)C1 451653959 NNXIHPLZPGUXJD-ZETCQYMHSA-N 315.263 2.577 0 40 DFAB CSc1ccc([C@@H](O)CNC(=O)NCc2ccccc2)cc1 96103291 CMOMVBGCMILWEZ-INIZCTEOSA-N 316.426 2.941 0 40 DFAB CO[C@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1cccc(F)c1 585275193 ZQFUSEXGAIKJGG-PBHICJAKSA-N 303.381 2.628 0 40 DFAB C=CC(=O)N1CC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 585292683 QOZNMWCQKOHZFV-CQSZACIVSA-N 309.373 2.691 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H]1CCOc2ccccc21 31703526 BQXWUPQVCJXYOR-GXSJLCMTSA-N 303.280 2.594 0 40 DFAB CNC(=O)c1ccc(C)c(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 31921219 YJLZCQSGQXFEBR-ZDUSSCGKSA-N 315.200 2.877 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)[C@H]2COc3ccccc32)cc1 76066145 LVAAHRPQOHARNT-QKKBWIMNSA-N 301.367 2.539 0 40 DFAB O=C(NCC[C@H](O)C1CC1)Nc1ccccc1C(F)(F)F 77108798 MHLHAONSPBLARO-LBPRGKRZSA-N 302.296 2.988 0 40 DFAB Cn1cc2c(C(F)F)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398945 KRQAIEZYHWBPPI-UHFFFAOYSA-N 324.331 2.597 0 40 DFAB C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=S)C[C@@H](C)O1 16075343 QALJCPHZFILQJP-VXGBXAGGSA-N 305.403 2.939 0 40 DFAB O=C(c1ccco1)N1CCC(c2nnc3n2CCCCC3)CC1 19341993 IUNMIEHELYSOBM-UHFFFAOYSA-N 314.389 2.617 0 40 DFAB CCCn1ncc(C(=O)N[C@H](C)c2c(C)nn(CC)c2C)c1C 19525884 XRHMOIAJQUTYAR-LLVKDONJSA-N 317.437 2.926 0 40 DFAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NO[C@H]1CCCCO1 166951855 KJCURBLGVWQTHI-LBPRGKRZSA-N 318.295 2.704 0 40 DFAB COc1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 5510903 BSPZMXVCZSROQI-ZDUSSCGKSA-N 315.369 2.960 0 40 DFAB CN(CCc1cnccn1)Cc1cc(C(=O)O)ccc1Cl 569347946 XWKWXRWXDRWNQM-UHFFFAOYSA-N 305.765 2.503 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N1CCc2sccc2C1 32411524 METQDMTZOXVXFG-UHFFFAOYSA-N 311.403 2.943 0 40 DFAB Cc1cnc([C@@H]2CN(Cc3cccc4[nH]ccc34)CCO2)cn1 1848352126 KHYVRRCUIDHPCI-SFHVURJKSA-N 308.385 2.840 0 40 DFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ncc(C)s1 6834312 CQWDBPBOBREDKT-UHFFFAOYSA-N 320.370 2.680 0 40 DFAB Cc1ccn2c(=O)nc(SCc3cccc(F)c3)nc2c1 4503898 OSARBWSKXCEASI-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB O=C(NCc1nccnc1-c1ccncc1)Nc1cccs1 575620101 KMBIKNLDMYKEJI-UHFFFAOYSA-N 311.370 2.922 0 40 DFAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(C)oc2C)cc1 75155512 LFABGEITUHLUFN-GOSISDBHSA-N 317.385 2.629 0 40 DFAB COc1c(C)cnc(CNC(=O)c2cc(F)ccc2F)c1C 50448980 UPYGLOFAAIOZPF-UHFFFAOYSA-N 306.312 2.915 0 40 DFAB O=C1C[C@H](C(=O)NCCc2cccs2)c2ccccc2N1 40481095 JNBZLSTZPQWRCH-ZDUSSCGKSA-N 300.383 2.533 0 40 DFAB CCc1nc2ccccc2c(=O)n1CC(=O)N(C)c1ccccc1 40478674 AEZAKDYIIAFHIA-UHFFFAOYSA-N 321.380 2.622 0 40 DFAB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1C(C)(C)C 40542925 XFMIOTPELPVTKP-UHFFFAOYSA-N 315.373 2.605 0 40 DFAB COC[C@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1 40529698 FYUAQPVEHBGDEN-JTQLQIEISA-N 314.223 2.878 0 40 DFAB C[C@H](CCc1ccccc1)Nc1c(NCc2ccco2)c(=O)c1=O 101691707 HTQUPBIPMNCIOL-CYBMUJFWSA-N 324.380 2.921 0 40 DFAB NC(=O)[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 21562846 ZJVFAJKGVRVIDG-BZUAXINKSA-N 313.328 2.699 0 40 DFAB CCc1noc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 41122776 REIQKGJKCRKGKK-CYBMUJFWSA-N 321.402 2.548 0 40 DFAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1cccs1 104006940 UHOBXYOQZLIKST-IHRRRGAJSA-N 321.442 2.776 0 40 DFAB O=C(O)C1=C[C@@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 12391477 CJXMTIIGZLUUAB-HNNXBMFYSA-N 318.336 2.929 0 40 DFAB Cc1cc(NC(=O)NCCOc2cccc(Cl)c2)n(C)n1 47499197 CGSLDAWVRRKQRY-UHFFFAOYSA-N 308.769 2.582 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C)cn2)cc1 97099069 VFUVXJDZPBYMMP-OAHLLOKOSA-N 318.442 2.650 0 40 DFAB Cc1cc2c(N3CCN(c4ccccn4)CC3)ncnc2s1 2927754 LOVJXYZMJIJBIC-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1O 3292197 LRALNCRJJVKUJG-UHFFFAOYSA-N 300.310 2.960 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC2CCN(C(C)C)CC2)o1 42911925 CIYISJUGFWNISP-UHFFFAOYSA-N 302.422 2.941 0 40 DFAB CSc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 4517613 ODOITNMBYGKNMS-UHFFFAOYSA-N 312.350 2.544 0 40 DFAB O=C1O[C@@H](C(=O)Nc2ccc3c(c2)CCC3)Cc2ccccc21 6648521 TWNQSTYLDPQESM-QGZVFWFLSA-N 307.349 2.896 0 40 DFAB COC(=O)c1ccc(-c2ccc(CNC(C)(C)CO)o2)cc1 6883164 WKLUSHUMLBEHTG-UHFFFAOYSA-N 303.358 2.594 0 40 DFAB CC(=O)N[C@H](CC(=O)NCc1ccccc1C)c1ccccc1 7976938 MJGZELISLODAMC-GOSISDBHSA-N 310.397 2.879 0 40 DFAB O=C(O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc12 71286061 SMRJPTQATWVZMY-UHFFFAOYSA-N 308.337 2.504 0 40 DFAB O=C(CC[C@@H]1CCCO1)NCc1cccc(Cn2ccnc2)c1 24752810 GQVLAQOCZIKISU-KRWDZBQOSA-N 313.401 2.507 0 40 DFAB Cc1cc2ncn(C[C@@H](O)COCc3ccco3)c2cc1C 12595354 YSOQLVFMBNGPSK-CQSZACIVSA-N 300.358 2.824 0 40 DFAB COc1ccc(CNC[C@H]2CCCN(C)C2)c(Cl)c1OC 106367144 AVEAKENYBUAJHN-GFCCVEGCSA-N 312.841 2.789 0 40 DFAB CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 56018326 UBOAGZDYZGCOBV-JKSUJKDBSA-N 320.364 2.568 0 40 DFAB CNc1nc(SCCCN2CCCC2=O)nc2ccccc12 58145503 UXXXFFDPTCTRIK-UHFFFAOYSA-N 316.430 2.776 0 40 DFAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@H]1CCCO1 27921943 CZAYGQMYNJXUFE-OAHLLOKOSA-N 317.364 2.805 0 40 DFAB C[C@H]1CN(C(=O)NCc2nc3ccccc3s2)C[C@@H](C)O1 44892612 QEZBDVHJHGGVNB-PHIMTYICSA-N 305.403 2.615 0 40 DFAB CC(=O)C1=NN(c2cccc(Cl)c2)C[C@H]1C(=O)OCC(C)C 59416383 AYXQWMBBJPYXOT-CQSZACIVSA-N 322.792 2.920 0 40 DFAB COc1ccccc1/C=C/C(=O)NCCN(C)c1ccccc1 53207036 HZZXWWQSMKENDN-OUKQBFOZSA-N 310.397 2.961 0 40 DFAB C[C@H](OC[C@H](O)CNC(=O)C1CCCCC1)c1ccccc1 58268279 CMQMRYSBKSUURN-WMLDXEAASA-N 305.418 2.822 0 40 DFAB Cc1ccccc1CN(C)C(=O)Cn1ccc(=O)c2ccccc21 58278586 LPBCBCWSDVKCNT-UHFFFAOYSA-N 320.392 2.969 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NC[C@H]1CNc2ccnn2C1 58344813 YQBFNYNHQQJNHE-KGLIPLIRSA-N 300.406 2.593 0 40 DFAB CN(C)c1ccc(C(=O)NCCn2cnc3ccccc32)cc1 58417965 PBPMGPUGPOZKJC-UHFFFAOYSA-N 308.385 2.532 0 40 DFAB Cc1cc2occ(CC(=O)O[C@H](C)C(N)=O)c2cc1C(C)C 28874545 XCYSIFKWOHQADB-LLVKDONJSA-N 303.358 2.824 0 40 DFAB Cc1cc(C(=O)Nc2nn(C)c(C)c2Cl)c2c(C)noc2n1 36617389 OJWCMKKRMNIAIN-UHFFFAOYSA-N 319.752 2.787 0 40 DFAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(n2cccc2)CC1 60452661 MWBUJTMMRGYNEP-WBVHZDCISA-N 320.433 2.626 0 40 DFAB Cc1oc(C)c(C(=O)OCCNc2ccc(Cl)nn2)c1C 72314115 VZZRAHSQOMKQCL-UHFFFAOYSA-N 309.753 2.917 0 40 DFAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(N)c2)C1 4188318 SBJAAFMZXQXSCV-CZUORRHYSA-N 308.447 2.858 0 40 DFAB O=C(CCn1ccc2ccccc21)NC1CCC(C(=O)O)CC1 97228591 ATNZGERGTJCGOI-UHFFFAOYSA-N 314.385 2.791 0 40 DFAB CNC(=O)c1cccc(CCN[C@H](C)Cc2ccc(F)cc2)c1 95423016 WNGCFQUZVAKILB-CQSZACIVSA-N 314.404 2.949 0 40 DFAB C[C@@H](O)c1ccc(CNC(=O)c2cncn2-c2ccccc2)cc1 65474313 GTMCDRFYGSJLCM-CQSZACIVSA-N 321.380 2.856 0 40 DFAB NC(=O)COc1ccc(CNCc2ccc3ccccc3c2)cc1 65464867 ZSPLHLCMXNHAPK-UHFFFAOYSA-N 320.392 2.994 0 40 DFAB O=C(O)c1cc(-n2cc(Br)cn2)ccc1Cl 9355187 FKGDISVQVSGAAE-UHFFFAOYSA-N 301.527 2.986 0 40 DFAB CCCCNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 65542036 WQIRQHCPGOOVNS-LBPRGKRZSA-N 304.419 2.576 0 40 DFAB Cc1noc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)n1 65591178 PNZHSTDTAJEAIR-JTQLQIEISA-N 303.337 2.816 0 40 DFAB CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(C)c1C 5391342 OOBCEPBMZYPQSG-UHFFFAOYSA-N 304.346 2.540 0 40 DFAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)c(C)c1 65729689 IFBJFWSYWNEBEU-ZDUSSCGKSA-N 304.390 2.591 0 40 DFAB O=C(NCC[C@@H]1CCCO1)Nc1nc(-c2ccccc2)ns1 65787381 ISIYKYXJXPDDGO-LBPRGKRZSA-N 318.402 2.896 0 40 DFAB CCCCNC(=O)COc1ccc(C(=O)NCCCC)cc1 6786897 HPPXVWZUCDJXPO-UHFFFAOYSA-N 306.406 2.512 0 40 DFAB COc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccc(C)o1 15296583 KLTOKSJVQNOPKO-AWEZNQCLSA-N 316.401 2.906 0 40 DFAB Cc1ccc(F)cc1-n1nnc(C(=O)NCc2ccco2)c1C 67264009 KITRSBCPUTZPAT-UHFFFAOYSA-N 314.320 2.546 0 40 DFAB CCN1C(=O)CN(c2ccc(C)cc2)C(=O)[C@H]1c1ccccc1 15413466 BJZXVIIXPNWLSE-GOSISDBHSA-N 308.381 2.931 0 40 DFAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccon1 67709435 LGRPINYYJVMGTF-OAHLLOKOSA-N 322.368 2.727 0 40 DFAB CCC[C@@H](C)CC(=O)NCC1(N2CCCCC2)CCOCC1 71896780 DUYYJTOFKYQENQ-MRXNPFEDSA-N 310.482 2.964 0 40 DFAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(F)cc1 71893572 DYDXTMLOSGMFGB-NSHDSACASA-N 310.369 2.811 0 40 DFAB Cc1ccc(C2(CNC(=O)c3cccnc3)CCOCC2)cc1 68168379 QEQXIDJANSIXHM-UHFFFAOYSA-N 310.397 2.868 0 40 DFAB O=C(NCCO)Nc1cccc(COCCc2ccccc2)c1 69185240 XUNZJABSNRJOBE-UHFFFAOYSA-N 314.385 2.560 0 40 DFAB CCc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1 16949842 MZQVPTCZSVVUPM-MSUUIHNZSA-N 304.415 2.848 0 40 DFAB CC(C)n1ccc(=O)nc1S[C@H](C)C(=O)NC1CCCCC1 69535745 BBVOVBMQOVZRBF-GFCCVEGCSA-N 323.462 2.754 0 40 DFAB COc1cc2c(nn1)CCN(Cc1cc(-c3ccccc3)no1)C2 83925447 SMZVQISHBMEKBP-UHFFFAOYSA-N 322.368 2.699 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cscn1 69918961 FYKNWOVWCMPOIU-GJZGRUSLSA-N 307.463 2.551 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 69949813 JGACYBDGYHUZEX-GJZGRUSLSA-N 319.449 2.947 0 40 DFAB COc1ccc2c(c1)C=C(CN1CCCn3cncc3C1)CO2 72167703 AEPAPXOEAFSBJM-UHFFFAOYSA-N 311.385 2.573 0 40 DFAB O=C(Nn1cnc2ccccc2c1=O)c1cc2ccccc2s1 8945909 DEAHRVYCPGYZCS-UHFFFAOYSA-N 321.361 2.995 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H](C)[C@H]1COc2ccccc21 95438416 YJGQKKZQCMCDNE-BXKDBHETSA-N 317.414 2.788 0 40 DFAB COc1cc(N[C@@H]2CC[C@@H](C)C2)ccc1S(=O)(=O)N(C)C 97057733 NHNNSGDOXGONBT-VXGBXAGGSA-N 312.435 2.546 0 40 DFAB CCc1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)(C)C)o1 85707115 AAKJHUJNCSDCNG-CQSZACIVSA-N 300.366 2.874 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnc(C2CC2)o1 75132424 QQRVXOGPPLQAHG-ZDUSSCGKSA-N 301.394 2.634 0 40 DFAB CC(C)OCc1ccc(CNC(=O)NC2(CO)CCCC2)cc1 89887906 OFPJQCLRQNVDGA-UHFFFAOYSA-N 320.433 2.716 0 40 DFAB CCCCc1cc(NS(=O)(=O)c2ccccc2OC)n[nH]1 89954847 CDUOFZMGKCVJCP-UHFFFAOYSA-N 309.391 2.562 0 40 DFAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1nccn1-c1ccccc1 529082297 QNXIIDKVVZTPQW-YVEFUNNKSA-N 312.373 2.561 0 40 DFAB COc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72211759 KRAVJTATAHWZDN-UHFFFAOYSA-N 308.378 2.968 0 40 DFAB CCOc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 79439022 CFYBUZKJSZCJQT-GFCCVEGCSA-N 322.409 2.687 0 40 DFAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2C 32105151 KQYSDBXXZKDNMX-UHFFFAOYSA-N 300.343 2.520 0 40 DFAB COC(=O)[C@@H](CCC(=O)c1ccccc1)NC(=O)OC(C)(C)C 34614149 WEYIBENIWMZWQA-CYBMUJFWSA-N 321.373 2.716 0 40 DFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 32081684 QEVIANFBIRQBGU-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB Cc1cc(C)c2c(CC(=O)NCCCn3ccnc3)coc2c1 39892669 GXYMBJROVYSFFK-UHFFFAOYSA-N 311.385 2.995 0 40 DFAB c1ccc(-c2cc(NCc3cccnc3)n3ncnc3n2)cc1 36646255 HSPTZCAAQDCNAK-UHFFFAOYSA-N 302.341 2.798 0 40 DFAB O=C(O)C1(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)CCC1 568395193 AGIUTKLXDXHSFW-LBPRGKRZSA-N 323.776 2.925 0 40 DFAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(F)cc2)n1 47339172 VBDANYOIGADTJL-QPJJXVBHSA-N 320.345 2.650 0 40 DFAB c1cncc(CN2CCC[C@@H]2c2nc(-c3ccncc3)n[nH]2)c1 72346447 YKMWFIKUQBDUPI-OAHLLOKOSA-N 306.373 2.599 0 40 DFAB COc1ccc(NC(=S)NCCCn2ccnc2)cc1Cl 225520671 JHMTWPFGOUOWAV-UHFFFAOYSA-N 324.837 2.922 0 40 DFAB CC(C)CC(=O)Nc1cnc(N2CCCCC2)nc1N(C)C 224354369 GNNJFAKSBAUVCR-UHFFFAOYSA-N 305.426 2.518 0 40 DFAB Cc1cccc(-n2cc(C(=O)Nc3cnn(C(C)(C)C)c3)nn2)c1 89686193 PIDCCGBDASZNSG-UHFFFAOYSA-N 324.388 2.780 0 40 DFAB COc1cccc(CC(=O)NCc2ccc(SC)cc2)n1 191051044 BKTAGMYKXGKDOL-UHFFFAOYSA-N 302.399 2.671 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cc3ccncc3)cc2)C1 45958377 MXKVCBYDLJBHHN-MRXNPFEDSA-N 324.380 2.588 0 40 DFAB CC1(C)C[C@@H](NCC(=O)N2CCc3ccccc3C2)C(C)(C)O1 132631534 RLDKPSSZFODYQJ-MRXNPFEDSA-N 316.445 2.507 0 40 DFAB CC[C@]1(C)CN(C(=O)Nc2ccn(CCC(C)C)n2)CCO1 190106246 XQBZFUFRMIDSAU-MRXNPFEDSA-N 308.426 2.962 0 40 DFAB CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1CC 130735810 FKRNIXJRHNPXQD-WCQYABFASA-N 321.421 2.911 0 40 DFAB CCC(CC)C(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386025 NWKLQNGSGNUKRC-OAHLLOKOSA-N 314.385 2.601 0 40 DFAB Cc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)c(=O)[nH]1 81346789 WZIQUZHVEYTIKN-CYBMUJFWSA-N 318.398 2.515 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3ncccc3F)CC2)nc1 84484440 XXCYCTPECPPQKE-UHFFFAOYSA-N 314.364 2.779 0 40 DFAB Cc1noc([C@@H](C)NC(=O)Nc2nc3c(s2)CCC3(C)C)n1 333144230 CUGQMWOFRVFQGM-SSDOTTSWSA-N 321.406 2.941 0 40 DFAB CN(CCc1ccncc1)C(=O)[C@@H]1CCOc2ccccc2C1 95526119 IZPUBJOVKNMSMJ-QGZVFWFLSA-N 310.397 2.724 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cnn(C)c2)s1 96433858 ULFKXXOFULNHES-SNVBAGLBSA-N 307.423 2.972 0 40 DFAB COc1ccc(CNC(=O)N[C@H](C)C2CC2)c(OC(F)F)c1 96434275 VUMJOFHURZCHTK-SECBINFHSA-N 314.332 2.894 0 40 DFAB CN[C@H](CC(C)(C)C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 580429171 UWODEOYNXYTPQI-LLVKDONJSA-N 321.450 2.506 0 40 DFAB Cn1cc(Oc2ccc(I)cc2)cn1 96528656 NSMYPQXQIHWDDH-UHFFFAOYSA-N 300.099 2.817 0 40 DFAB c1ccc(N[C@@H]2CCO[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 96206393 XAIUVNAMQRPICW-IEBWSBKVSA-N 324.428 2.712 0 40 DFAB CO[C@@H]1CC[C@H]2N(C(=O)c3cnc(C4CC4)nc3)CC[C@@]2(C)C1 257216590 CVFALLINWOKOBD-RKVPGOIHSA-N 315.417 2.774 0 40 DFAB CCn1nc(C)c(CN2CC[C@@H](c3nc(C)cn3C)C2)c1C 257226199 FJPMMKHULHCONX-OAHLLOKOSA-N 301.438 2.551 0 40 DFAB Nc1nc2nc(C3CCN(C(=O)C4CCC4)CC3)ccc2s1 257215586 CQTPZGVQQDJJQX-UHFFFAOYSA-N 316.430 2.780 0 40 DFAB O=C(c1cccnc1)N1CCO[C@@H](Cc2cccc(Cl)c2)C1 257219577 DHHVBSCFFQVZDF-INIZCTEOSA-N 316.788 2.819 0 40 DFAB Cn1nc(CNC(=O)Cc2cccs2)cc1-c1ccco1 85471312 MLEJLAMNBMCGBX-UHFFFAOYSA-N 301.371 2.601 0 40 DFAB Cc1nc(C2CC2)oc1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 262760679 KQSTYAYHWAZEDE-UHFFFAOYSA-N 318.329 2.732 0 40 DFAB C[C@@H](Oc1cccnc1)C(=O)N1Cc2ccccc2OC[C@H]1C 272969231 OUAQQAAIGDYIJQ-ZIAGYGMSSA-N 312.369 2.659 0 40 DFAB c1ccc(O[C@@H]2CCOC3(C2)CN(Cc2ccsc2)C3)nc1 585103915 DPMOUMOXALSSKT-OAHLLOKOSA-N 316.426 2.956 0 40 DFAB O=C(O)COc1ccc(C(=O)Nc2ncsc2C2CC2)cc1 902678365 LDTHOHWOIUXPDF-UHFFFAOYSA-N 318.354 2.736 0 40 DFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nccs1 74931731 RZCHBKKEELSPAO-UHFFFAOYSA-N 304.780 2.606 0 40 DFAB COc1cccc(CN(C)C[C@@H]2NC[C@H]3CCC[C@@H]32)c1 97370731 BNQMHWKXYSQHSN-UHFFFAOYSA-N 274.408 2.515 0 40 DFAB COC(=O)[C@]1(c2ccc(Br)cc2Cl)CCNC1 1740818990 RPDDPQYMDWPEMO-GFCCVEGCSA-N 318.598 2.507 0 40 DFAB CCC(=O)/N=c1/n(C)c2ccccc2n1CCOc1ccccc1 13113914 OJJRZSYJDFTULP-VXPUYCOJSA-N 323.396 2.896 0 40 DFAB COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1 15860148 XUTWNNDTLSRFGV-MRXNPFEDSA-N 316.401 2.558 0 40 DFAB biogenic CC(C)(C)C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19081107 AOSSGDNLIGIKOU-UHFFFAOYSA-N 304.438 2.757 0 40 DFAB O=C(c1cccc(C(F)F)c1F)N1CC[C@H](c2nc[nH]n2)C1 529505027 DSTBJAYGRGQBAV-QMMMGPOBSA-N 310.279 2.511 0 40 DFAB CCc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 3188186 ONUKSARZXZWQAL-UHFFFAOYSA-N 323.396 2.863 0 40 DFAB CC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@H]2C1 1888846830 XTBLGBISKVQNTG-HUUCEWRRSA-N 312.417 2.532 0 40 DFAB O=C(c1csc(-c2ccccc2)n1)N1CC(Cn2ccnc2)C1 1889211582 KRYQLOKRIWASEH-UHFFFAOYSA-N 324.409 2.779 0 40 DFAB Cc1csc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1 14898744 VOSAJGHATHWOHO-LBPRGKRZSA-N 315.398 2.981 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)c1n[nH]cc1Br 28233963 LKOGRRPQYGMKJI-UHFFFAOYSA-N 302.078 2.703 0 40 DFAB Cc1nc(CN2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)cs1 2086934262 LSOACMOLBGGQKZ-BETUJISGSA-N 318.421 2.554 0 40 DFAB CCONC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 30603820 OHOMSSJNYXCSCV-UHFFFAOYSA-N 310.357 2.625 0 40 DFAB COC(=O)[C@@H](NC(=O)CCc1cccs1)c1ccccc1 50513126 RZPQRANYHKEYJN-HNNXBMFYSA-N 303.383 2.711 0 40 DFAB C[C@@H]1CN(C2CCN(c3nc4ccccc4s3)CC2)CCO1 40549042 VCHFGISEULXSTG-CYBMUJFWSA-N 317.458 2.986 0 40 DFAB Cc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 382715 RFWMDSPJRYJSIX-UHFFFAOYSA-N 324.446 2.528 0 40 DFAB CCOC(=O)N[C@H](C(=O)Nc1nc(C2CC2)cs1)C(C)C 32912241 XNPMSEYMIZFZER-NSHDSACASA-N 311.407 2.730 0 40 DFAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@]1(O)C(=O)Nc2ccccc21 408315 CLQDQNKSWUZURA-BMLIUANNSA-N 315.756 2.999 0 40 DFAB COc1ccc([C@H](C)NC(=O)CC(C)(C)CC(=O)O)c(OC)c1 42183887 HZTJYIWPLKXWPY-NSHDSACASA-N 323.389 2.772 0 40 DFAB CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@@]1(C)C(=O)O2 167218 BCOOHAJVMHYSQG-RBUKOAKNSA-N 313.397 2.693 0 40 DFAB CC(C)C1=NN(C(=O)Cc2ccccc2)[C@@](O)(C(F)(F)F)C1 248937 JGJKWFUJIODOML-AWEZNQCLSA-N 314.307 2.724 0 40 DFAB Cc1c(Br)cccc1C(=O)N[C@H](C)Cn1ccnc1 88444987 VMEROMYSWKFSBY-SNVBAGLBSA-N 322.206 2.773 0 40 DFAB Cn1ccc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc21 79480443 ZXUNKTHROJQYPG-UHFFFAOYSA-N 304.353 2.985 0 40 DFAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCCC1 3258523 GTBDSEJMTOQPOX-UHFFFAOYSA-N 305.359 2.655 0 40 DFAB Cc1nn(CN2CCN(c3ccc(F)cc3)CC2)c(=S)s1 24149026 LNGGYKOGIJYTOS-UHFFFAOYSA-N 324.450 2.901 0 40 DFAB O=C(CC1(C(=O)O)CCCCC1)Nc1cccc2c1OCCO2 55151417 BKIWTPFPNDICOK-UHFFFAOYSA-N 319.357 2.822 0 40 DFAB CCN(C(=O)C1=COCCO1)c1nc2c(C)cccc2s1 24764692 FZHQBHFXDMGAQH-UHFFFAOYSA-N 304.371 2.846 0 40 DFAB O=C(c1cccc(NCc2cccc(F)c2)c1)N1CCOCC1 55861755 RMOPPCTXJOLMJT-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB CCC(CC)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 56289797 DAFXMKOIFPXDRW-UHFFFAOYSA-N 312.413 2.949 0 40 DFAB CC[C@](C)(NC(=O)CCOc1ccccc1Cl)C(=O)OC 58169320 URDUFMXISKJLAC-HNNXBMFYSA-N 313.781 2.567 0 40 DFAB Cc1ccnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n1 27985026 PAJKRBZFVGPKRU-UHFFFAOYSA-N 322.372 2.505 0 40 DFAB O=C(COC(=O)COc1cccc(F)c1)Nc1cccc(F)c1 3248306 MKZMDAWJVFTCBI-UHFFFAOYSA-N 321.279 2.526 0 40 DFAB CN(Cc1ccccc1)C(=O)CC(=O)N(C)Cc1ccccc1 3276767 XLKJSXXRSQNBJB-UHFFFAOYSA-N 310.397 2.694 0 40 DFAB Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)no1 48273091 NKBVKULDHACSHX-UHFFFAOYSA-N 314.389 2.688 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@@H](C)CC[C@@H]2CCCO2)c1 58245119 PPJUTQABIZABQK-STQMWFEESA-N 307.390 2.781 0 40 DFAB CN(Cc1ccsc1)C(=O)c1csc(-c2cnn(C)c2)n1 44902842 LCZYKDAWZZRVSR-UHFFFAOYSA-N 318.427 2.877 0 40 DFAB COc1cc(CNC(=O)NCc2cc3ccccc3o2)ccn1 48278853 AHAFXHJLCKNJGC-UHFFFAOYSA-N 311.341 2.836 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)[C@H]1CCCO1 27880846 ZXVWGWIKTBQOKL-GXFFZTMASA-N 317.414 2.811 0 40 DFAB CC(C)N1CCC(N(C)CC(=O)N[C@H](C)c2ccccc2)CC1 58324800 YNNJHTQWSRCASM-MRXNPFEDSA-N 317.477 2.668 0 40 DFAB CC1(C)CC(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC(C)(C)N1 103332959 LMFZXVRFXAOBQA-YRGRVCCFSA-N 309.523 2.948 0 40 DFAB O=C(NCC1(c2ccccc2)CCCC1)C(=O)N1CCCCC1 2343306 JVPKNQUWUXAVSS-UHFFFAOYSA-N 314.429 2.627 0 40 DFAB Cc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cn1 28617273 FJTMZJDDTCZKKK-UHFFFAOYSA-N 300.362 2.671 0 40 DFAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CC(=O)N(C2CCCC2)C1 45579083 FFVKTODRVVCHEQ-CQSZACIVSA-N 323.396 2.964 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)c1 45782796 NKEJSWXJTMFWDE-NSHDSACASA-N 313.357 2.677 0 40 DFAB CCOC(=O)CCCC(=O)c1ccc(CN2CC=CC2)cc1 2514931 RBLFRDSHUDTULS-UHFFFAOYSA-N 301.386 2.975 0 40 DFAB CCC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 100687605 ZPCLGMVMYLPJMD-GASCZTMLSA-N 320.481 2.624 0 40 DFAB O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 2766826 GJIDOIANMUHBDS-UHFFFAOYSA-N 309.406 2.929 0 40 DFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCCC1 2803440 KCCZBCIJFYBNOD-UHFFFAOYSA-N 307.366 2.506 0 40 DFAB CCC(CC)[C@H](O)CNC(=O)CCc1ccc(O)c(Cl)c1 96014193 XTFSODXMPOCDSK-OAHLLOKOSA-N 313.825 2.892 0 40 DFAB COc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 4042004 PMQYVKPJMFQFJY-HNNXBMFYSA-N 308.337 2.589 0 40 DFAB biogenic CS(=O)(=O)c1cccc(C(=O)OCCc2cccs2)c1 49417306 NOEZKVWPBSQFCS-UHFFFAOYSA-N 310.396 2.551 0 40 DFAB Cc1c(C)n(C2CCCCC2)c2ncn(CCCO)c(=N)c12 13551186 DYRVKILVBJLSKQ-UHFFFAOYSA-N 302.422 2.822 0 40 DFAB c1ccc2c(NC[C@@H]3COC4(CCOCC4)O3)ccnc2c1 95464306 HOWWIDGQUQHAKO-CYBMUJFWSA-N 300.358 2.569 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1ccc2c(c1)CCC2 6423578 HCMGTMACKYRZMK-UHFFFAOYSA-N 315.394 2.961 0 40 DFAB Cc1c(C)n(CCCN(C)C)c2ncn(CC(C)C)c(=N)c12 6661492 AEYJCBRQWOPQSC-UHFFFAOYSA-N 303.454 2.542 0 40 DFAB CC[C@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 4741131 PGRSUBDDCZPBSX-LBPRGKRZSA-N 303.314 2.747 0 40 DFAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2)n(C)n1 25361750 PBNUORKCMVKWQU-HNNXBMFYSA-N 316.380 2.643 0 40 DFAB COC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)s1 15194992 TZWUQEFMRUBTTG-UHFFFAOYSA-N 315.350 2.949 0 40 DFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cnc(C)cn1 15608594 KSFLYNDOPBWSFV-LLVKDONJSA-N 312.373 2.566 0 40 DFAB OCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789457 FONDPIYIULEECF-UHFFFAOYSA-N 300.387 2.846 0 40 DFAB CCN1CCC[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 71825278 MSZLKMORJGOFCQ-INIZCTEOSA-N 314.433 2.659 0 40 DFAB FC(F)(F)Cn1ccnc1Cn1ccnc1-c1ccccn1 71888747 JKIGEJQTNNTXDS-UHFFFAOYSA-N 307.279 2.752 0 40 DFAB COC[C@@H](NC(=O)c1cc[nH]n1)c1cccc(C(F)(F)F)c1 71911034 FZDHAZVMYACJGP-GFCCVEGCSA-N 313.279 2.546 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)c2ncnc3c2cnn3C)C12CCCC2 71920905 JRJISUQLNQZRQF-ZIAGYGMSSA-N 315.421 2.537 0 40 DFAB O=C(Nc1ccncc1)C1CCC(NC(=O)C2CCCC2)CC1 69532131 VURXFGMUTCSELT-UHFFFAOYSA-N 315.417 2.885 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)nc1 69674971 KEOYWUYMJDAIRN-UHFFFAOYSA-N 317.345 2.878 0 40 DFAB Cc1noc([C@@H](C)NC(=O)Cc2ccccc2Br)n1 69776117 JMPVMSKEJOOMTA-MRVPVSSYSA-N 324.178 2.560 0 40 DFAB Cn1c(=O)oc2ccc(NCc3nnc(-c4ccccc4)o3)cc21 95414862 SGMQYHGQRRCDQU-UHFFFAOYSA-N 322.324 2.794 0 40 DFAB CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1cccn(C)c1=O 95977707 VABVZGWMFXGMKW-UHFFFAOYSA-N 323.755 2.842 0 40 DFAB Cc1cnc(CN(Cc2nc(C)cs2)C[C@H]2CCCO2)cn1 95962580 XHKUOWDLPWDLQQ-OAHLLOKOSA-N 318.446 2.731 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)c1ccc2c(c1)OCO2 97097595 VBQMOECFYLDHMV-JTQLQIEISA-N 315.373 2.912 0 40 DFAB O=C1CCCCN1CSc1nnc(CCc2ccccc2)o1 97080616 ZRRRGLICICQAEW-UHFFFAOYSA-N 317.414 2.917 0 40 DFAB Cn1cc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cn1 97058089 BVIIMMKWRUWHMB-NSHDSACASA-N 319.233 2.732 0 40 DFAB Cc1nc([C@@H]2CN(Cc3c(F)cccc3Cl)CCO2)no1 95958104 JHDZTZFUFBVPJV-ZDUSSCGKSA-N 311.744 2.744 0 40 DFAB COC[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(C)C 72295454 PPTYBAFSRZTCDH-KRWDZBQOSA-N 300.402 2.807 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)no1 72274115 GKURDVLEMDGLOV-GXTWGEPZSA-N 302.378 2.537 0 40 DFAB COc1ccc(C)cc1[C@H](C)NCc1c(C)nn(CCO)c1C 97159809 XKYFDKUTLCXWPP-ZDUSSCGKSA-N 317.433 2.660 0 40 DFAB Cc1cc(O)ccc1NC(=O)Nc1ccn(Cc2ccccn2)n1 97104825 NEPJNEGEJMJXNR-UHFFFAOYSA-N 323.356 2.984 0 40 DFAB CCO[C@H]1C[C@@H](N(C)c2cc(C)nc3ncnn23)C1(CC)CC 75106989 VGFHKJBKXBRTSF-KGLIPLIRSA-N 317.437 2.853 0 40 DFAB CCc1ccc(C(=O)N2CC[C@@H](OCc3cccnc3)C2)o1 75105294 KDTXYCLLVUNYEN-OAHLLOKOSA-N 300.358 2.668 0 40 DFAB O=C(NC1CCCCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1 89818440 UYWOCCPDWWUVLH-AWEZNQCLSA-N 307.438 2.552 0 40 DFAB CCOC(=O)Nc1cccc(OCC(=O)NCc2ccco2)c1 20863172 SVWJUZOEAZGHLY-UHFFFAOYSA-N 318.329 2.543 0 40 DFAB C[C@@H](NC(=O)c1ccccc1)c1nc2c3ccccc3ncn2n1 521398803 CWBBRCNTMRKZQB-GFCCVEGCSA-N 317.352 2.769 0 40 DFAB CN(CC1CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72251304 RLZAYMJRKVAPAG-NVXWUHKLSA-N 318.392 2.604 0 40 DFAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 72203039 HUPJLDMYPHKRSI-NSHDSACASA-N 324.450 2.644 0 40 DFAB CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCCn1cccc1 1565519193 UHFRTXYETPZKIP-MSOLQXFVSA-N 317.477 2.991 0 40 DFAB biogenic Cc1cccc(CNCCOc2ccc(S(C)(=O)=O)cc2)c1 78602411 NIYLNBYRCAQMIK-UHFFFAOYSA-N 319.426 2.567 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC1)c1ccccc1 79337717 YNGYGSWHQASLAR-CQSZACIVSA-N 304.390 2.527 0 40 DFAB COc1ccc2c(c1)OC(C)(C)CN(CC1(CC(=O)O)CC1)C2 566509426 FCCFAFIYKDKRTB-UHFFFAOYSA-N 319.401 2.923 0 40 DFAB Cn1ccc2cc(C(=O)NCc3nc4ccccc4n3C)ccc21 79484955 GVCUTFZGHPEKAD-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 72203038 HUPJLDMYPHKRSI-LLVKDONJSA-N 324.450 2.644 0 40 DFAB CCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 72362239 FOOSSUSBSJFAQT-UHFFFAOYSA-N 311.389 2.731 0 40 DFAB S=C(Nc1ncc(Br)cc1Cl)NC1CC1 224029257 KFSNXWJCBPVECX-UHFFFAOYSA-N 306.616 2.946 0 40 DFAB CO[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccco1 225653502 QGRZFFKEKNWAJZ-CQSZACIVSA-N 302.286 2.645 0 40 DFAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nnnn1C 225531825 VYXDRDMVXFMLRY-QMMMGPOBSA-N 304.354 2.593 0 40 DFAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225687923 NHJCFJPDBDSXDR-KRWDZBQOSA-N 323.389 2.930 0 40 DFAB CC[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1nc(C)n[nH]1 81859901 KAEJTJRZCYYSCA-KBPBESRZSA-N 316.430 2.711 0 40 DFAB CCc1nnc(NC(=O)N(CCOC)Cc2ccc(C)o2)s1 96470722 PMWMWJHLRHQPMN-UHFFFAOYSA-N 324.406 2.682 0 40 DFAB c1ccc(O[C@@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)nc1 96107525 PKGSHEHWWNQNAG-WMZOPIPTSA-N 314.385 2.877 0 40 DFAB Cc1nscc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 97378868 VNBVUSLZNJXJSS-LRDDRELGSA-N 315.442 2.702 0 40 DFAB Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)C1CC1)C2 96199091 NIYOGOVJNBEKEI-UHFFFAOYSA-N 322.412 2.544 0 40 DFAB C[C@@H](CN1CCOCC1)N1CCC(OC2CCCCC2)CC1 91552238 SJAKEICQKBJNEQ-INIZCTEOSA-N 310.482 2.521 0 40 DFAB COc1cc(-c2cc(C)cnc2-n2cnnc2)c(Cl)cn1 96135791 XYDKNRTYJZMNLU-UHFFFAOYSA-N 301.737 2.695 0 40 DFAB CN1C(=O)C[C@@H](NCc2cccc3[nH]ccc23)[C@@H]1c1cccnc1 583616530 GWRSXCLVRPEJAA-MJGOQNOKSA-N 320.396 2.625 0 40 DFAB CC(C)COc1ccc([C@H](C)NC(=O)N2CC[C@H](CO)C2)cc1 96467265 AZJDIDHBACKNKO-GJZGRUSLSA-N 320.433 2.806 0 40 DFAB COC(=O)[C@H](C)SCc1nnc(Cc2ccccc2C)o1 96471948 UUDXWDCAAGLEOP-NSHDSACASA-N 306.387 2.764 0 40 DFAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCC[C@H](C)C3)C2)cc1 96192822 LFWIMOPRVBCHFB-SCLBCKFNSA-N 316.401 2.837 0 40 DFAB c1cncc(OC[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1 96187950 JQTSUHZCTRAUPQ-INIZCTEOSA-N 324.384 2.582 0 40 DFAB COc1ccc(/C=C2/Oc3cc4c(cc3NC2=O)OCO4)cc1 96191820 ZYHIUYYWUYNKON-OMCISZLKSA-N 311.293 2.796 0 40 DFAB Cc1nn(C)c(C)c1CN[C@H](C)C[C@H](O)c1ccc(F)cc1 96486366 NFSAHMCCAAULCG-DIFFPNOSSA-N 305.397 2.778 0 40 DFAB CC(=O)c1c(F)cccc1N1CCN(C2=NC[C@@H](C)S2)CC1 96453745 UPPQGFDNJFYQQM-LLVKDONJSA-N 321.421 2.642 0 40 DFAB COc1cccc2[nH]cc(CCNC(=O)NC3(C)CCC3)c12 96499858 MZKDKSBCPPEWNK-UHFFFAOYSA-N 301.390 2.961 0 40 DFAB C[C@@H](C(=O)N(c1ccccc1)C1CCCCC1)S(C)(=O)=O 95396317 KLIHBVWJTJRTQL-ZDUSSCGKSA-N 309.431 2.785 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)N1CC[C@@H](Oc2cccnc2)C1 96474757 WQKYCAGHIFSUHY-AEFFLSMTSA-N 323.396 2.932 0 40 DFAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 96072130 QXEHEMABAILCEY-YLJYHZDGSA-N 322.408 2.799 0 40 DFAB N[C@@H](c1ccc(F)cc1)c1nc(COc2ccc(F)cc2)n[nH]1 95533284 RCKUKDFDFPXSIX-HNNXBMFYSA-N 316.311 2.710 0 40 DFAB COC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247840004 KNTMEBYVITYQBB-QGZVFWFLSA-N 308.385 2.635 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 257318598 VOQQJUNFKMWNDT-MRXNPFEDSA-N 315.348 2.667 0 40 DFAB CCOC[C@@H]1CCN(C)C2(C1)CN(Cc1ccc(C)s1)C2 585102693 GKELXRNIWZBUMW-OAHLLOKOSA-N 308.491 2.989 0 40 DFAB CC[C@@H](OC(=O)c1ccn(C)c(=O)c1)c1ccc(OC)cc1 68041505 GSCADGCKAKWSMB-OAHLLOKOSA-N 301.342 2.702 0 40 DFAB O=C1NCCN1[C@H]1CCCN(Cc2cccc3ccccc23)C1 71830542 RCPVRMRTKLXSJJ-KRWDZBQOSA-N 309.413 2.829 0 40 DFAB Cc1ccsc1C(=O)N1CCCN(c2nccs2)CC1 71830700 FSTSMBICMFZNHO-UHFFFAOYSA-N 307.444 2.866 0 40 DFAB Cc1cc(N(C)C)cc([C@@H]2CCCN2C(=O)c2cncs2)n1 72368424 WARHXVNHORQBJP-AWEZNQCLSA-N 316.430 2.890 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cccn2)n1 78166614 DFVIIABFQLQWFG-ZDUSSCGKSA-N 304.353 2.859 0 40 DFAB CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)c(Br)c1 96430847 CEKMDXCXNQAKIC-JTQLQIEISA-N 316.170 2.839 0 40 DFAB CN(C)c1cc(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccn1 108500819 CNRGTAQWYUBBSF-AEGPPILISA-N 304.390 2.508 0 40 DFAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CO 3057154 HPQSVVDALWITHS-OQFOIZHKSA-N 304.154 2.980 0 40 DFAB CN1CCC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 5065145 SEWHBJAHHOCKER-IEBWSBKVSA-N 317.429 2.702 0 40 DFAB in-vitro Cc1ccc2c(c1)c(C)c(C(=O)NCCn1ccc(C)n1)n2C 12148536 RASVUPGKYXIWHG-UHFFFAOYSA-N 310.401 2.730 0 40 DFAB COc1cccc(CN[C@H](c2ccccc2)P(=O)(O)O)c1 13016430 VYFSWGAIMLEYJL-HNNXBMFYSA-N 307.286 2.661 0 40 DFAB O=C(O)Cc1cnc(NC(=O)c2ccc(Cl)s2)s1 13989067 ULCQZNDZHLVOLM-UHFFFAOYSA-N 302.764 2.737 0 40 DFAB Clc1ccc2c(c1)[C@H](Nc1ccc3nnnn3n1)CCS2 12794610 GXYFBQFGUQAVAC-SNVBAGLBSA-N 318.793 2.822 0 40 DFAB Cc1cc(OC2CN(C(=O)c3ccccc3Cl)C2)ccn1 1889149422 XTNSYALNCROFSS-UHFFFAOYSA-N 302.761 2.947 0 40 DFAB O=C(OCc1ccccc1)c1ccc(Cn2ccccc2=O)o1 24205578 ZIHCYCXVNCNQDA-UHFFFAOYSA-N 309.321 2.847 0 40 DFAB CN(C)c1cccc(CC[C@@H]2CCCCN2c2ccncn2)n1 2037644218 ISVWCUGVMNPKLL-INIZCTEOSA-N 311.433 2.929 0 40 DFAB O=C(c1cccs1)N1CCN=C1SCc1cccnc1 4056908 IGUSFGOYRQOEDR-UHFFFAOYSA-N 303.412 2.888 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1cccc(Cl)c1 85559819 XRZCECXFGTUFOF-GOSISDBHSA-N 315.800 2.990 0 40 DFAB O=C(CCc1ccco1)NC1CCN(Cc2ccccc2)CC1 30057195 AWZVGIYZNXQGEI-UHFFFAOYSA-N 312.413 2.993 0 40 DFAB CN(Cc1ccc(Br)o1)[C@@H](C(N)=O)c1ccccc1 30217324 MLVJCYDKFMRQBB-CYBMUJFWSA-N 323.190 2.701 0 40 DFAB O=C(Nc1nncs1)c1ccc(OCc2cscn2)cc1 21215030 LQGQCQPROUSMNA-UHFFFAOYSA-N 318.383 2.826 0 40 DFAB Cc1cc(C)cc(NC(=S)NCC(C)(C)N2CCOCC2)c1 21323115 JVTYRHCSUKEIAG-UHFFFAOYSA-N 321.490 2.701 0 40 DFAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1F 378712 XJEHQEOOGMEXBX-CYBMUJFWSA-N 308.334 2.529 0 40 DFAB COc1ccc([C@H](C)NCCC(=O)Nc2cc(C)on2)cc1F 32751166 RMJKNRCVLXIKEX-NSHDSACASA-N 321.352 2.810 0 40 DFAB CC(C)c1ccc([C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 103507369 KHZPRQPZUXZUGJ-IXDOHACOSA-N 313.397 2.795 0 40 DFAB COc1ccccc1CNC1CCN(C(=O)c2ccco2)CC1 42206590 UBONBKWWHSPDEE-UHFFFAOYSA-N 314.385 2.683 0 40 DFAB O=C1NC(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)N1 12375560 XTSFEHDTTVYIAU-DHDCSXOGSA-N 312.300 2.585 0 40 DFAB O=C(Nc1ccc(F)cc1)c1coc(=O)c(Br)c1 528949 GYSLNPPDZWYVLP-UHFFFAOYSA-N 312.094 2.794 0 40 DFAB CC(C)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 557482 YKAGFFVYXDVLHB-UHFFFAOYSA-N 305.403 2.727 0 40 DFAB CC(C)(C)[C@H](O)CNC(=O)c1ccc(N2CCCCC2)cc1 79111461 BDCGIUDDDAOWEN-MRXNPFEDSA-N 304.434 2.814 0 40 DFAB CCOc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 24251431 OIHCLZWWHYEZCX-UHFFFAOYSA-N 318.417 2.918 0 40 DFAB O=C1COc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2N1 24345225 DDHJHKVZJAJDIM-UHFFFAOYSA-N 307.309 2.751 0 40 DFAB CCOC(=O)[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 105760657 RXJJMCKWQBBLKA-VXGBXAGGSA-N 309.410 2.703 0 40 DFAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1OC 6590473 OYLGAGGSTKXJRO-UHFFFAOYSA-N 314.385 2.774 0 40 DFAB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC2CC2)c(OC)c1 6629967 ZBSBMORIBITTOK-GXDHUFHOSA-N 313.401 2.727 0 40 DFAB COc1cc(S(=O)(=O)NC(C(C)C)C(C)C)ccc1F 8497426 IOTHOAAMKSHVBZ-UHFFFAOYSA-N 303.399 2.793 0 40 DFAB CN1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 59052461 WIVIXLFQMUBDLX-UHFFFAOYSA-N 320.396 2.618 0 40 DFAB O=C(/C=C/c1ccccc1)Nc1ccccc1Cn1cncn1 55968973 SZGVFOJZCRKYGF-ZHACJKMWSA-N 304.353 2.978 0 40 DFAB Cc1cc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)no1 56342864 DZWOJWHSHXLCFE-UHFFFAOYSA-N 316.317 2.579 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C 25754631 PYFWJFIQKISBDZ-HZPDHXFCSA-N 320.477 2.988 0 40 DFAB O=C(CSc1ncccn1)Nc1ccccc1OC(F)F 3249315 SEDDTWMMEORIGC-UHFFFAOYSA-N 311.313 2.809 0 40 DFAB C[C@H](O)[C@@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 108351871 UEVXKHUFKCEPTJ-AEJSXWLSSA-N 310.337 2.951 0 40 DFAB CCCCNC(=O)[C@@H]1CS[C@H](c2ccc(C)cc2)N1C(C)=O 27118020 YNCAGSMKIUFINX-DOTOQJQBSA-N 320.458 2.874 0 40 DFAB Cc1nc2ccccc2nc1NC1CCN(C(=O)C2CC2)CC1 44782250 FUKJDUKWMZQELF-UHFFFAOYSA-N 310.401 2.751 0 40 DFAB Cc1nnc([C@H](C)Nc2ccc(F)c(N3CCCC3=O)c2)o1 95395896 BLOMRNXGBKCAEG-VIFPVBQESA-N 304.325 2.817 0 40 DFAB COC(=O)C1CCN(c2ccnc3c(F)ccc(F)c23)CC1 58228742 BLGOTMNCNYJWRZ-UHFFFAOYSA-N 306.312 2.902 0 40 DFAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@@H]3CCOC3)cc12 44919068 IRGLKSJOILNJMH-LBPRGKRZSA-N 321.446 2.829 0 40 DFAB CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(OC)ccc21 22235654 JNEOJCOUQNOPHD-UHFFFAOYSA-N 314.385 2.702 0 40 DFAB O=C(NC1CCCCC1)N1CCC[C@@H]1c1nnc2ccccn12 12793750 XAGFZEWZKLGLQX-CQSZACIVSA-N 313.405 2.909 0 40 DFAB O=C(CSc1ccc(Br)cn1)NC1CCCC1 45025789 PDOXOBQIQSBEGC-UHFFFAOYSA-N 315.236 2.995 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(C(=O)O)c(NC(=O)C(C)(C)C)n1 114848358 NTFHEDMBXYIQMK-UHFFFAOYSA-N 321.377 2.749 0 40 DFAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 3386285 AVEDJUQGTKAQBJ-UHFFFAOYSA-N 317.728 2.948 0 40 DFAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@H]1CCCO1 27922500 DCPLETLPTAQNPP-OAHLLOKOSA-N 317.364 2.805 0 40 DFAB COc1cc(C)ccc1NS(=O)(=O)c1cccc(C(=O)O)c1 48382917 IWVSKMQBMXZIJX-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=c1[nH]nc(SCCC[C@@H](O)c2ccc(F)cc2)n1C1CC1 12869151 BMGSSCVYDXFDTN-CYBMUJFWSA-N 323.393 2.651 0 40 DFAB O=C(NCCCn1cnc2ccccc21)NCC1CCCC1 46886824 HETLZEJOAMPZDE-UHFFFAOYSA-N 300.406 2.916 0 40 DFAB Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccsc1)N(C)C 48441440 KDBDFRAZJIGVNQ-ZDUSSCGKSA-N 312.870 2.836 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H](O)c1ccccc1 95427355 GKYGVJLSSCMRIG-HZPDHXFCSA-N 303.402 2.718 0 40 DFAB O=C(C[C@@H]1C=CCC1)NCc1ccc(N2CCOC2=O)cc1 96008789 NKIXOEZQLVKICB-CYBMUJFWSA-N 300.358 2.616 0 40 DFAB O=c1[nH]ncc(NCc2cccc(OCC(F)F)c2)c1Cl 65594676 JBXSATZCHXQMTQ-UHFFFAOYSA-N 315.707 2.679 0 40 DFAB CN(C(=O)c1cc(Cl)c[nH]1)C1CCN(c2ccccn2)CC1 65626091 PTEHUIJODMBOHO-UHFFFAOYSA-N 318.808 2.804 0 40 DFAB O=C(Cc1cc(F)ccc1F)Nc1cnccc1-n1cccn1 80084682 CCZBORTZOICLSI-UHFFFAOYSA-N 314.295 2.727 0 40 DFAB CC(=O)Nc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1 15593701 ZHKWXMSGSGJXGI-LBPRGKRZSA-N 309.373 2.539 0 40 DFAB CCNc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 7246246 GVUJECFXZFKEBV-NXEZZACHSA-N 314.480 2.852 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)CCNC(=O)c1ccco1 15685400 CYGHDXMYZLUCHR-CYBMUJFWSA-N 300.358 2.585 0 40 DFAB CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nccs1 96415421 QOLMMRQCJXNMDV-CABZTGNLSA-N 307.423 2.697 0 40 DFAB C[C@H]1C[C@@H]1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496986 MWQWAUGKDXVILP-ONGXEEELSA-N 301.312 2.721 0 40 DFAB Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=O)c1 95400006 PGLHTOZJZNRTIQ-IAGOWNOFSA-N 324.380 2.601 0 40 DFAB Fc1ccc2c(c1)CC[C@H]2NCc1cnc(N2CCCC2)nc1 71837153 GRGOAYPVLKHSMP-QGZVFWFLSA-N 312.392 2.993 0 40 DFAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@@H]1c1cccc(Br)c1 71846801 GSWMOBWCKXEFFG-CHWSQXEVSA-N 320.190 2.592 0 40 DFAB CCONC(=O)c1cc(C)nc2ccc(Br)cc12 69373338 MOGZNVIJEMPORN-UHFFFAOYSA-N 309.163 2.987 0 40 DFAB C/C=C/C=C/C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69462553 BYQIEHQJDRFFTI-YWEOITDFSA-N 300.402 2.770 0 40 DFAB CCN1CCCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 69580777 FDYJVZSRQURHTD-AWEZNQCLSA-N 322.474 2.730 0 40 DFAB c1cnn(C[C@@H]2CCCCN2Cc2nc(-c3ccoc3)no2)c1 69632041 HWNSPMLEKLFCBO-AWEZNQCLSA-N 313.361 2.581 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)C1 69872409 ZTTDQFHBWMNPDS-ZACQAIPSSA-N 310.401 2.554 0 40 DFAB O=C(CC1CCCC1)N1CCCN(c2cccc(F)n2)CC1 69845896 JQAIYVPVKPCLLN-UHFFFAOYSA-N 305.397 2.840 0 40 DFAB O=CN1CCC(OC(=O)c2cccc(Cl)c2Cl)CC1 97049132 GAIFCSRCNRDLDS-UHFFFAOYSA-N 302.157 2.771 0 40 DFAB Cc1nc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cs1 84271971 SKLJSENJOWYHPG-NSHDSACASA-N 304.375 2.689 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)c1ccncc1Br 95944878 ZPPZYJISDVEPIW-QWRGUYRKSA-N 300.152 2.568 0 40 DFAB CC[C@@H](NC(=O)N1CCCC2(C1)OCCO2)c1cccs1 95982068 IKBHPNOHWUGRII-GFCCVEGCSA-N 310.419 2.748 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)nn1-c1cccc(Cl)c1 95991469 VCRBLJWKGPEDBV-FZMZJTMJSA-N 319.792 2.741 0 40 DFAB O[C@H](Cn1nccc1-c1ccncc1)c1cc(F)ccc1F 95974768 VSBBJQOZIFIAJB-MRXNPFEDSA-N 301.296 2.957 0 40 DFAB O=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1 95995122 IOZYHXZIMUVOJD-UHFFFAOYSA-N 322.306 2.608 0 40 DFAB COC[C@@](C)(NC(=O)c1cnc2ccccn12)c1ccccc1 95966546 JECSYDWIWRRSJA-GOSISDBHSA-N 309.369 2.626 0 40 DFAB CN(c1nc(Cn2nnc(-c3ccsc3)n2)cs1)C1CC1 89365662 UCKNUUNOHNNOMZ-UHFFFAOYSA-N 318.431 2.505 0 40 DFAB Cc1sc(-c2ccco2)nc1C(=O)NCCCN1CCCC1 89556203 KYGBOZLGRWHOOJ-UHFFFAOYSA-N 319.430 2.927 0 40 DFAB Cc1cccc([C@@H](C)NC(=O)NC[C@@]2(O)CCSC2)c1C 89686417 WQRUQKKTXCZNLP-CJNGLKHVSA-N 308.447 2.532 0 40 DFAB C[C@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCCC2=O)cc1 89904798 QFOLWMRURLBCKM-XJKSGUPXSA-N 314.385 2.791 0 40 DFAB O=C(c1coc(C2CCCCC2)n1)N1CCC(CCO)CC1 547949390 KGUTVUFTQYVMLT-UHFFFAOYSA-N 306.406 2.957 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCN(c2cnc3ccccc3n2)CC1 1055721968 ZAQNHZPAKYJHDE-OAHLLOKOSA-N 322.412 2.635 0 40 DFAB Cc1ccccc1[C@@H]1CCN(C(=O)Cn2cccn2)CCS1 219287034 NIXUBBYWMIQPMK-INIZCTEOSA-N 315.442 2.898 0 40 DFAB Cc1ccc([C@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218525006 MGLAGQSVAHHARW-BZSNNMDCSA-N 315.438 2.818 0 40 DFAB CCc1nc([C@H]2CCCN(c3cnc4ccccc4n3)C2)no1 72279242 OJIXARYGAHIKKQ-LBPRGKRZSA-N 309.373 2.959 0 40 DFAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1 32657867 UXSDMELUHGFVKJ-UHFFFAOYSA-N 312.369 2.777 0 40 DFAB CN1C(=O)C[C@H](C(=O)NCc2ccccc2)[C@H]1c1cccs1 78023864 SRQGETAVXDBHNE-BBRMVZONSA-N 314.410 2.584 0 40 DFAB C[C@@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn12 217555256 LSVKWMHUEHNYOQ-MRVPVSSYSA-N 318.178 2.574 0 40 DFAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cscn3)C2)n1 72385711 IFRXEIWIURESHZ-GFCCVEGCSA-N 316.430 2.542 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccc(SC)nc1 78556795 LWMGNYPPRSCOOW-UHFFFAOYSA-N 310.400 2.613 0 40 DFAB COc1cccc2c1ccn2CCNC(=O)c1c(C)noc1C 79495568 CGAVXMURSJSKHN-UHFFFAOYSA-N 313.357 2.685 0 40 DFAB COc1ccc(N2CC(Nc3cccc(C(=O)O)c3)=CC2=O)cc1 227163243 VGHUEXCCGVRSCE-UHFFFAOYSA-N 324.336 2.736 0 40 DFAB NCc1ccc(I)c(OC(F)(F)F)c1 199523601 AWHZRAMYBSYMBN-UHFFFAOYSA-N 317.048 2.649 0 40 DFAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 222777480 PZAIKLRFDODSLR-HUUCEWRRSA-N 300.431 2.721 0 40 DFAB CCc1nn(C)c(OC)c1CN[C@@H]1CCCc2nc(C)sc21 89212439 PHHZEMUMRVZOGA-CYBMUJFWSA-N 320.462 2.923 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)NC(=O)C2CC=CC2)cc1 86053528 DWDQPLGQVATKGX-UHFFFAOYSA-N 307.415 2.755 0 40 DFAB C[C@H](Sc1ncccc1Br)C(=O)N1CCCC1 96411976 SKLVWBBITVLGQN-VIFPVBQESA-N 315.236 2.947 0 40 DFAB CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2CCC(=O)NC2)cc1 96414379 YZSZAGLTUZHAHC-BBRMVZONSA-N 302.418 2.698 0 40 DFAB CCOC[C@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2cnn(CC)c21 96100097 OTXYKOBSMMLLJL-GDBMZVCRSA-N 317.433 2.722 0 40 DFAB O=C(c1ncccc1O)N1CCSC[C@H]1c1ccccc1 97377885 YXZRYHYTEHAGCN-ZDUSSCGKSA-N 300.383 2.718 0 40 DFAB COCc1ccc(C(=O)N(C)C[C@H]2CCN(C)C2(C)C)s1 97532645 ZPLDAGDGOGEBDO-GFCCVEGCSA-N 310.463 2.697 0 40 DFAB c1cncc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)c1 96107608 JMXGSXFODNKOGV-ROUUACIJSA-N 314.385 2.625 0 40 DFAB COC[C@H]1CCCN(C(=O)Cc2c(Cl)cccc2OC)C1 97378969 GMRVOYIHSHZCGL-LBPRGKRZSA-N 311.809 2.776 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2cnc3ccccc3n2)CC1 26140726 UNPPWHPPLCEOMK-UHFFFAOYSA-N 314.389 2.687 0 40 DFAB O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1nc(C2CC2)no1 583651141 HWQRKTWTROKBCG-ZIAGYGMSSA-N 313.357 2.597 0 40 DFAB CCc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](N)C3)s2)cc1 97019990 WRQBLLURRKUKKK-AWEZNQCLSA-N 315.442 2.854 0 40 DFAB OC[C@@H](Cc1c[nH]c2ccccc12)Nc1cncc(Cl)n1 96429848 PRJMDVBFYAJZSN-LLVKDONJSA-N 302.765 2.627 0 40 DFAB C[C@]12CC[C@@H]3[C@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 247653846 OFAZPSYXUKIJIK-HKSWYMOCSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro Cc1cc([C@H]2CCCCN2C(=O)c2cccn2C)nc2nccn12 257314320 UWKBZHMCNYDYJE-OAHLLOKOSA-N 323.400 2.744 0 40 DFAB CO[C@@H]1CCCOC12CCN(Cc1cccc(C(=O)O)c1)CC2 257337781 YUIDXQBVSVFHHQ-MRXNPFEDSA-N 319.401 2.545 0 40 DFAB Cc1nc(-c2ccccc2)c(C(=O)NCc2ccn(C)n2)s1 257173596 RRXYARYATPWPDC-UHFFFAOYSA-N 312.398 2.782 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)c3ocnc3C)CC2)s1 257264363 LUBHMLOYDSYFAN-UHFFFAOYSA-N 305.403 2.942 0 40 DFAB Cc1cnc2n1C[C@@H](c1ccccc1)N(C(=O)c1cccn1C)C2 257243221 IFYBMDBEYXOVGD-KRWDZBQOSA-N 320.396 2.927 0 40 DFAB CCCn1cc(NCc2cn(C)nc2C(F)(F)F)c(C)n1 256050296 DNLCIOMSOUCDFS-UHFFFAOYSA-N 301.316 2.966 0 40 DFAB CN(C)C(=O)N(CCCOc1ccccc1)C1CCOCC1 390834060 RBXCTOUCDACLCI-UHFFFAOYSA-N 306.406 2.618 0 40 DFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(C)C)C3)c2N)cc1 72397233 GGQXGGAYBQCQHL-AWEZNQCLSA-N 312.417 2.676 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2cccnc2)C1 54540046 HTOZFAQKIDCJBQ-HUUCEWRRSA-N 318.465 2.637 0 40 DFAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccn1 55944266 WOQGAINYOPGJCR-CVEARBPZSA-N 300.333 2.871 0 40 DFAB COCCN1CCC(CNC(=O)c2cc3ccccc3o2)CC1 38582842 HSGOOOIFRNDUST-UHFFFAOYSA-N 316.401 2.521 0 40 DFAB C[C@H](Cc1cccs1)C(=O)N[C@@H](C(=O)O)c1ccccc1 97018026 SUGMBKAEEPXVOL-BXUZGUMPSA-N 303.383 2.869 0 40 DFAB 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306.369 2.795 0 40 DFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccncc1 12594026 SVLPZTILPAHWIB-CYBMUJFWSA-N 303.387 2.536 0 40 DFAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1 6931929 YQOTUODADOSLEV-GFCCVEGCSA-N 312.321 2.886 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1noc2c1C[C@H](C)CC2 7000181 CQDUTZUGMHIDKF-SNVBAGLBSA-N 314.341 2.838 0 40 DFAB C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)C1CCC1 95420872 LZRHGPMELVYQED-RDTXWAMCSA-N 316.445 2.874 0 40 DFAB COc1ccc(CS(=O)(=O)C[C@](C)(O)c2ccccc2)cc1 1386127 RWPJPGBTHGSPQM-KRWDZBQOSA-N 320.410 2.518 0 40 DFAB CNC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3280867 HTUBYVBNBCOPTQ-UHFFFAOYSA-N 308.432 2.737 0 40 DFAB Cn1cc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cn1 48214075 DGAMELKGSHQNLQ-AATRIKPKSA-N 309.291 2.769 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1nc2ccccc2s1 28304933 QLSQZPUVXIDGTF-UHFFFAOYSA-N 309.372 2.702 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)nc2)on1 48272870 HRLGLXMYJQYWGH-CYBMUJFWSA-N 315.377 2.813 0 40 DFAB CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1nncs1 72289140 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GEBJVPIXNDYVDC-IACUBPJLSA-N 305.403 2.792 0 40 DFAB COc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1OC 21713993 WIUDCWZVBLFNEU-UHFFFAOYSA-N 324.340 2.741 0 40 DFAB CC1(C)COC2(CCN(Cc3cnc4ccccn34)CC2)OC1 95413155 SIDARALSIKRXBU-UHFFFAOYSA-N 315.417 2.699 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@H]12 96058426 BCYPBELOXVVJNR-PKOBYXMFSA-N 310.397 2.768 0 40 DFAB O=C1CC[C@]2(CCCN(Cc3ccccn3)CC2)N1CC1CC1 96217950 RTSLPYMKEHRHKN-IBGZPJMESA-N 313.445 2.839 0 40 DFAB CCCCc1nc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)c[nH]1 257284151 PBJZHZQFMKZIOV-AWEZNQCLSA-N 301.438 2.930 0 40 DFAB Cc1cccnc1N(C)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 279328092 DWKYXJFWMAWIRK-GJZGRUSLSA-N 324.380 2.928 0 40 DFAB CO[C@@H]1CCN(C(=O)C2(F)CCC2)C[C@H]1Cc1ccccc1 585113517 WUNHTFWZVMZOTA-HZPDHXFCSA-N 305.393 2.985 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2nccn2Cc2ccccc2)c1 71874906 UOXUAQVFDOXOCO-MRXNPFEDSA-N 309.417 2.615 0 40 DFAB O=C(CCNCC(F)(F)F)N1CCCC[C@@H]1c1nccs1 72285924 XEGLDYUJFCXQMI-SNVBAGLBSA-N 321.368 2.739 0 40 DFAB COc1cc(C(=O)NC(C)C)ccc1OCc1ccncc1 40498084 LQAQMYQZKXYLCG-UHFFFAOYSA-N 300.358 2.807 0 40 DFAB CS(=O)(=O)CCCOc1ccc(Oc2ccccn2)cc1 78747924 AEUQEQKKAUCGTR-UHFFFAOYSA-N 307.371 2.687 0 40 DFAB CCOc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78897971 IUTQVHVSBFUZLI-KDOFPFPSSA-N 316.445 2.822 0 40 DFAB COC(=O)c1ccc([C@H](C)N2CC[C@H](Oc3ccncc3)C2)o1 91595321 IUSHTVIASZGRSU-JSGCOSHPSA-N 316.357 2.676 0 40 DFAB Cc1ocnc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 95978438 GPQNCIWOFVDLOX-SNVBAGLBSA-N 323.755 2.784 0 40 DFAB C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 42463936 YYBUJSMNOJGESV-RHSMWYFYSA-N 314.429 2.555 0 40 DFAB COc1ccc(/C=C/C(=O)OCC(=O)NC2CCCCC2)cc1 145867 ZOOZKHPQFCCBEO-FMIVXFBMSA-N 317.385 2.701 0 40 DFAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12144781 IPWKMSKZCVEVGD-HNNXBMFYSA-N 309.373 2.582 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccs1 12769895 PUTLIVZLQLNQOF-CYBMUJFWSA-N 316.426 2.615 0 40 DFAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CCOC2)n1 19240143 DSBMQZPJEGQFCN-QWHCGFSZSA-N 322.455 2.950 0 40 DFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CCCN2C[C@@H]1C 19575690 LDARSZITWJJGDR-ZOBUZTSGSA-N 316.445 2.762 0 40 DFAB CCN(CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242688588 VTXBOHJYLGVMGC-QAQDUYKDSA-N 320.433 2.538 0 40 DFAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1cccc(Cl)c1 4564195 VYPCEEDBDGXTRU-SNVBAGLBSA-N 306.749 2.863 0 40 DFAB O=C(C1CCCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888842617 AMZRLEUTYGQAQC-UHFFFAOYSA-N 309.797 2.690 0 40 DFAB O=c1c(=O)n(CC2CCCCC2)ccn1Cc1ccc(F)cc1 2086946014 SYRDTBFGWAAUOV-UHFFFAOYSA-N 316.376 2.778 0 40 DFAB O=C(N1CCC2(CC1)CCN(c1ccsc1)C2=O)C1(F)CC1 1565544301 DHLWEMKKLOAELW-UHFFFAOYSA-N 322.405 2.596 0 40 DFAB CCn1cc(CCC(=O)NCc2csc(C3CC3)n2)c(C)n1 72252199 CGHVYVJRPRVTRP-UHFFFAOYSA-N 318.446 2.794 0 40 DFAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC 488036 MOBYMHLXDFGHEO-HZMBPMFUSA-N 306.362 2.598 0 40 DFAB COC(=O)c1ccc(C)c(OCC(=O)N(C)c2ccccc2)c1 40051887 UIRNXGJSJSTRJC-UHFFFAOYSA-N 313.353 2.823 0 40 DFAB Cc1cn(CC(=O)N[C@@H]2CCCc3c2cnn3C)c2ccccc12 50562106 BZGFJNHWORRARH-MRXNPFEDSA-N 322.412 2.877 0 40 DFAB O=C(CCCNC(=O)c1ccco1)Nc1cccc2ncccc12 32531556 CNVMJNXSMNVCHW-UHFFFAOYSA-N 323.352 2.977 0 40 DFAB Cc1cc2nnc(SCC(=O)c3ccc(F)cc3)n2c(C)n1 33035416 NUPPNIWFJUXMGH-UHFFFAOYSA-N 316.361 2.855 0 40 DFAB Cc1cc(C)n(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 506133 ZTALAGWWFLHLPR-LBPRGKRZSA-N 317.776 2.847 0 40 DFAB COc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 525921 SWBNZYDSHZDHQJ-UHFFFAOYSA-N 309.354 2.923 0 40 DFAB CC(C)C(=O)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 504426 YMGYDQXLVCYDJF-CYBMUJFWSA-N 318.270 2.669 0 40 DFAB Cn1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1=O 42090416 MUTYVVHHRAIQLA-UHFFFAOYSA-N 307.275 2.802 0 40 DFAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)Cc1cccnc1 95394361 QMFYCIIDHMLMGF-MRXNPFEDSA-N 311.385 2.974 0 40 DFAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 416666 YZCJNLDPILFELW-UHFFFAOYSA-N 316.430 2.633 0 40 DFAB C[C@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 76878970 JMJBDZUDOUJWKD-DZKIICNBSA-N 316.401 2.808 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 730798 SIBQSSWYYRKOPM-LBPRGKRZSA-N 313.353 2.957 0 40 DFAB CC(=O)c1ccccc1OCCSc1nc(C)cc(N)n1 12528272 JSGVGMLAVSYNNU-UHFFFAOYSA-N 303.387 2.741 0 40 DFAB C[C@]1(C(=O)OCC(=O)Nc2cccc(F)c2)CC1(Cl)Cl 3501947 WKXIOMOYTJUOCA-GFCCVEGCSA-N 320.147 2.891 0 40 DFAB CCn1c(SCCN2CCCCC2)nc2ccccc2c1=O 4130605 BJFUCPFLFBMTPH-UHFFFAOYSA-N 317.458 2.994 0 40 DFAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc1O 4911675 JIDXRTCHLUOALC-QMMMGPOBSA-N 324.793 2.658 0 40 DFAB O=C(Nc1ccccc1F)c1ccc(N2CCOCC2)cc1 7504875 FIDFFPGNLBXDCQ-UHFFFAOYSA-N 300.333 2.915 0 40 DFAB O=C(COc1ccc(F)cc1F)Nc1nc2c(s1)CCC2 24862754 XXQHGOPRDNYSGU-UHFFFAOYSA-N 310.325 2.928 0 40 DFAB NC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 55334249 XBEKDJIHARLNGX-UHFFFAOYSA-N 321.739 2.900 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1nc2ccccc2[nH]1 55441805 XXRCNBFIEUBUKH-BLLLJJGKSA-N 324.384 2.714 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(F)cccc21 55684278 BHIBLFNVYUMAEQ-QMTHXVAHSA-N 322.380 2.842 0 40 DFAB NC(=O)c1cc(NCC(=O)Nc2ccc(Cl)cc2)ccc1F 55850681 LSZSWYJGTUIMDE-UHFFFAOYSA-N 321.739 2.629 0 40 DFAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccco3)cc21 8959368 XVYYADRINMAESW-UHFFFAOYSA-N 314.341 2.913 0 40 DFAB CC(C)N1CCC[C@@H]1CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 107531440 HXSYKSDTLPNMNF-CHWSQXEVSA-N 322.453 2.807 0 40 DFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2)c1O 12689378 JPHPULUXPCHALF-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB Cc1cc(SCC(=O)NC(=O)NC(C)C)nc2ccccc12 12658153 RGARQKPWHPHJKR-UHFFFAOYSA-N 317.414 2.870 0 40 DFAB CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 1902360 GRVIMVZHMJUURH-UHFFFAOYSA-N 324.450 2.506 0 40 DFAB Cc1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)c3ccccc32)o1 58173471 FHGHSRPLZVEYRM-CYBMUJFWSA-N 319.382 2.627 0 40 DFAB CCc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 10267932 WAJHJRQCIORFLN-GOSISDBHSA-N 310.397 2.524 0 40 DFAB COc1cc(CNC(=O)Cn2ccc3ccccc32)ccc1O 58208998 ZXXSMWPUJOVMEP-UHFFFAOYSA-N 310.353 2.672 0 40 DFAB O=C(O)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 55174972 STABJKWKFUMSPP-UHFFFAOYSA-N 313.309 2.798 0 40 DFAB biogenic,in-vitro C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999287 NLVUYHIOWJDERC-KKOKHZNYSA-N 315.339 2.843 0 40 DFAB C[C@H](CC(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1 12793929 ZBAOOBXSYVTFJQ-CYBMUJFWSA-N 307.357 2.795 0 40 DFAB Cc1ccc(CC(=O)NCCN2CCCc3ccccc32)cn1 58304634 FNJSCZMWTVBROW-UHFFFAOYSA-N 309.413 2.502 0 40 DFAB C[C@@H](Sc1nncn1C1CC1)C(=O)N(C)c1ccccc1 10648629 HBNMHJHESPPBBO-LLVKDONJSA-N 302.403 2.757 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1 57312764 DFSZEMGGCCSTOX-NVXWUHKLSA-N 300.402 2.609 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 48363834 LCGYWRZPWURFRW-BZNIZROVSA-N 324.384 2.768 0 40 DFAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCn1ccnc1 48326063 FHFGXVURLYYAEB-UHFFFAOYSA-N 313.380 2.615 0 40 DFAB CC(C)(C)OC(=O)NCCn1cnc2cc(Cl)ccc2c1=O 11866578 WXNRSILCXONYAE-UHFFFAOYSA-N 323.780 2.575 0 40 DFAB COc1ccc(C)cc1NS(=O)(=O)c1cccc([C@H](C)O)c1 12824512 YQZYKUKCZFDURX-LBPRGKRZSA-N 321.398 2.858 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H](C)OC[C@@H]1C 46745941 ZYOGUNQBXRUEJW-VHSXEESVSA-N 306.387 2.961 0 40 DFAB O=C(C[C@H]1COCCN1C(=O)c1ccc(Cl)o1)c1ccco1 95439911 BBCNTXSQKCSBJJ-JTQLQIEISA-N 323.732 2.640 0 40 DFAB COc1ccccc1NC(=O)CCNC(=O)c1ccsc1 12977872 YSUSNUYKTSNVJI-UHFFFAOYSA-N 304.371 2.515 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1ccncc1 95416891 OZTACLVHSNONRV-UHFFFAOYSA-N 312.156 2.592 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 13000621 SBYFGYWBYBEQMB-UHFFFAOYSA-N 322.412 2.999 0 40 DFAB COC(=O)[C@H](NC(=O)C[C@H]1C=CCC1)c1cc(F)ccc1F 65529788 GBMBJKFOWZAJCZ-ZUZCIYMTSA-N 309.312 2.651 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)o1 9364985 XJKPRTBEKPBXJJ-LXSSAFMLSA-N 312.325 2.959 0 40 DFAB CCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1 4700035 XMGXXUDPLVSTAJ-UHFFFAOYSA-N 304.434 2.822 0 40 DFAB OCc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)o1 93868263 WALGOOPIMWZDOG-YJBOKZPZSA-N 301.386 2.860 0 40 DFAB COc1ccc([S@](=O)NCc2ccccc2)c(OC)c1C 5721612 QCQQGQBFNKWVLJ-OAQYLSRUSA-N 305.399 2.825 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)c1ncnc2nc(N)ccc12 90112844 FOKMTMWHWKEZIY-OLZOCXBDSA-N 315.421 2.637 0 40 DFAB CCN1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 19888974 ISLQPHQZPOQPRO-UHFFFAOYSA-N 321.896 2.942 0 40 DFAB CN(C)c1cc(CNC(=O)c2ccnc(F)c2)c2ccccc2n1 96441240 WLYCSRHDGBEYMY-UHFFFAOYSA-N 324.359 2.765 0 40 DFAB Cc1ccc2nc(CN3c4ccccc4C[C@@H]3C)cc(=O)n2c1 7587453 ZABUGSJTLCICKF-AWEZNQCLSA-N 305.381 2.954 0 40 DFAB C[C@@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnn(C)c1 96476738 KTWIROSYROZEQV-UKRRQHHQSA-N 322.453 2.860 0 40 DFAB O=C(N[C@H](COc1ccccc1)c1ccccc1)[C@H]1CCOC1 71886279 FISRJVABWFOFAN-FUHWJXTLSA-N 311.381 2.959 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)nc2)cn1 70003774 UMVMDXLXUQTYEO-GFCCVEGCSA-N 324.306 2.811 0 40 DFAB Cc1cnn([C@@H](C)[C@H](C)NCc2cn(-c3ccccc3)nn2)c1 71882172 NBGMFUCMZTZRHQ-GJZGRUSLSA-N 310.405 2.512 0 40 DFAB CN1CCN(C(=O)c2ccc3[nH]cnc3c2)Cc2ccccc21 69542470 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CCN(CC)C(=O)CCNC(=O)c1cc(C)c(C)cc1Cl 97080272 DZWJNFKHWFFTRF-UHFFFAOYSA-N 310.825 2.945 0 40 DFAB Cc1ccc(C(=O)CCC(=O)N(C)CCCC(=O)O)cc1C 72291181 KGUYXMQBTRXXAW-UHFFFAOYSA-N 305.374 2.590 0 40 DFAB Cc1ccc(NC(=O)C2CCN(c3cccc(C)n3)CC2)nc1 97163265 QHJCLXDZQFHYOO-UHFFFAOYSA-N 310.401 2.949 0 40 DFAB Cc1ccc([C@@H](CCn2cncn2)NCCCn2ccnc2)cc1 95940763 IRZCCEQIVGZBIC-GOSISDBHSA-N 324.432 2.594 0 40 DFAB CCS(=O)(=O)CCSc1nc2ccccc2n1C(F)F 118174439 WCWXXTXWXZHADO-UHFFFAOYSA-N 320.386 2.958 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2CC=CCC2)c1 9905724 BVNCLEWAGNUITB-CYBMUJFWSA-N 313.401 2.681 0 40 DFAB CSc1cc(C(=O)N2CC[C@H](O)C2)c(Cl)cc1Cl 89493815 DYLOUPQACCOKFK-ZETCQYMHSA-N 306.214 2.922 0 40 DFAB COC(=O)[C@H](C)[C@H](NC(=O)c1cc[nH]c1C)c1ccccc1 86232158 WDUMHVPGMNTDMN-ABAIWWIYSA-N 300.358 2.603 0 40 DFAB Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@H](C)Oc2ncccc21 89526232 NQMBISLMFGMQAR-MNOVXSKESA-N 315.373 2.994 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1 408707491 NODXHCNIMOLZEN-FMKPAKJESA-N 302.418 2.601 0 40 DFAB CCOc1ccc(NC(=O)COc2cccc(CN)c2)cc1 36720754 CXWQPFXZCZHHBY-UHFFFAOYSA-N 300.358 2.562 0 40 DFAB Cc1ccc(F)c(Cc2noc([C@@H]3C[C@@H]4C[C@H](N)[C@@H]4C3)n2)c1 1553320013 LGRTUKIAHALGFV-OPQSFPLASA-N 301.365 2.949 0 40 DFAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1Cc1ccccc1F 72351368 QHJHZTPJIJJRHN-OAHLLOKOSA-N 316.380 2.588 0 40 DFAB C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1ccnc(NC(=O)C2CC2)c1 552023568 QUYQVIASHCHGOS-ATCWAGBWSA-N 315.417 2.985 0 40 DFAB CC(C)N(CC(=O)O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 79392402 ZMXZMYZAOMPAOQ-ZDUSSCGKSA-N 314.426 2.571 0 40 DFAB COc1cccc([C@@H]2[C@H](N[C@@H]3CCO[C@H]3C)CCN2C2CC2)c1 181281201 YWSDFNSSADPJSM-JGNHQEBTSA-N 316.445 2.740 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccccc2Br)[C@@H]1CN 70176631 PPDGWHQKEQHGFJ-GXFFZTMASA-N 311.223 2.649 0 40 DFAB CCc1noc([C@H]2CCCCN2C(=O)Cc2cccs2)n1 40714874 MGIQQLZTUUMXKB-GFCCVEGCSA-N 305.403 2.990 0 40 DFAB COc1cccnc1NC(=S)N[C@@H](C)COc1ccccc1 225784761 CEYDLXXJMXOBKE-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB CSc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 224495136 ZQQKTMIJOQEISL-UHFFFAOYSA-N 321.836 2.714 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 45958409 JMZITMRKAJERES-CQSZACIVSA-N 309.365 2.854 0 40 DFAB CC(C)(CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(=O)OC(C)(C)C 195550658 KDEHKXYZGAYDNJ-AVGNSLFASA-N 312.454 2.693 0 40 DFAB Cn1ncnc1CNc1c(Cl)cc(F)cc1Br 195566570 CZXDMQMIMSTWKF-UHFFFAOYSA-N 319.565 2.982 0 40 DFAB Cc1cccc(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 224140053 NOIAYBTWDZBDKT-UHFFFAOYSA-N 314.393 2.561 0 40 DFAB COc1ccccc1NC(=O)NCCN1C[C@H](C)C[C@@H](C)C1 40119965 MBKBBFFSKKJSOG-ZIAGYGMSSA-N 305.422 2.795 0 40 DFAB Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ncoc2C)s1 92522163 LPJZFMCUXUKCNN-SECBINFHSA-N 308.407 2.959 0 40 DFAB CC(C)OCCS(=O)(=O)N1CCC[C@@H]1c1ccsc1 96451017 VURVFYHNYWTYBX-CYBMUJFWSA-N 303.449 2.640 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)CC(=O)N2C)cc1 96181399 IECQUNKNXLFREE-DOTOQJQBSA-N 300.402 2.527 0 40 DFAB CCO[C@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1 253382490 IKCORKZUUBPWFR-CQSZACIVSA-N 304.415 2.540 0 40 DFAB CC(=O)N1CCN(CCC(F)(F)F)[C@@H](c2ccccc2)C1 257208338 BLTCOGXULIHFQH-CQSZACIVSA-N 300.324 2.844 0 40 DFAB CC(C)N1CCC(c2cnc(N3C(=O)OCC3(C)C)cn2)CC1 257327810 XCUVWAUEPGVYOC-UHFFFAOYSA-N 318.421 2.800 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257213959 CJWBCMKYKDLDHZ-AWEZNQCLSA-N 312.373 2.629 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1ccc3cc[nH]c3c1)CC2 257303168 SGAQPMDUEUMGCJ-QGZVFWFLSA-N 300.402 2.674 0 40 DFAB Cc1ccc(CNC(=O)c2cncc([C@H]3CCCN(C)C3)n2)cc1 257271357 MXYRYANVRWZUSN-INIZCTEOSA-N 324.428 2.524 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 68518069 BGOXPXCJTVWOEM-CVEARBPZSA-N 312.413 2.661 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)n1 70009540 SDJCCUTUPUFNJJ-KSZLIROESA-N 324.428 2.690 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c(O)c1 47816855 KEDJIKGMWMTFQZ-ZDUSSCGKSA-N 304.390 2.676 0 40 DFAB O=C(c1ccccn1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009518 GVAWLYOGFKGLQH-STQMWFEESA-N 316.792 2.940 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Br)s1 40218100 XTPPVPGVSMOZMW-QMMMGPOBSA-N 314.208 2.526 0 40 DFAB NC(=O)CC[C@H]1CCCN(c2ccnc3cc(F)ccc23)C1 78808693 MZOVKOOSWJEPMI-GFCCVEGCSA-N 301.365 2.856 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(N(C)C)c2)o1 89652830 KKQQTPDYERIFIF-INIZCTEOSA-N 314.385 2.868 0 40 DFAB COc1cccc([C@H]2C[C@H](O)CN2c2noc(C(C)(C)C)n2)c1 520255517 PBZSMCIRDJOQTB-GXTWGEPZSA-N 317.389 2.688 0 40 DFAB Cc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)nn1 663327505 IYISPBXVZADFMG-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)CC1(C)OCCO1 96418600 FWAIEOPUDSPEPQ-ZDUSSCGKSA-N 316.401 2.616 0 40 DFAB O=C(Nc1ccc(F)c(Br)c1)N1CCC[C@H](O)C1 96435589 RHGBJMLLLIFQCD-VIFPVBQESA-N 317.158 2.577 0 40 DFAB COc1cccc(C2(NC(=O)Cc3nonc3C)CCCC2)c1 12143110 PEDMBBZYAIGQOX-UHFFFAOYSA-N 315.373 2.515 0 40 DFAB CC[C@H](CN1CCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 12239724 IGAFTUKOZFDMNT-MRXNPFEDSA-N 304.409 2.848 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(Cl)cc1C(N)=O 12684110 LFEFPEZNTQEJBN-PHIMTYICSA-N 324.808 2.607 0 40 DFAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 13542413 UHQGCIIQUZBJAE-QKDSSNGWSA-N 302.414 2.883 0 40 DFAB in-vitro Cc1ccc(NC(=O)C[C@@H](NC2CCCC2)C(=O)O)cc1Cl 4280151 UCVBGFLUOJWZIN-CQSZACIVSA-N 324.808 2.962 0 40 DFAB CCCC(=O)N1CCN(c2nc3c(OC)cccc3s2)CC1 5181753 WQCJWJDWUQKKMB-UHFFFAOYSA-N 319.430 2.754 0 40 DFAB CO[C@H]1CCCN(Cc2cnn(C)c2)[C@H]1Cc1cccc(F)c1 643914112 KXNKNGRTZCDJBP-ROUUACIJSA-N 317.408 2.781 0 40 DFAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nccn2C)c1 5358407 AYYGVHDDKZPKEC-NSHDSACASA-N 303.387 2.742 0 40 DFAB Cc1cnc([C@@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)[nH]1 1848352260 XXJIDKQKGZAVLV-GFCCVEGCSA-N 312.348 2.968 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N(C)Cc1ccccc1 10032160 MEVYSBBCLMJNOV-UHFFFAOYSA-N 312.369 2.682 0 40 DFAB COc1ccccc1CNc1cc(-n2nc(C)cc2C)ncn1 1888909576 ZFQKMHAYTBWNNR-UHFFFAOYSA-N 309.373 2.900 0 40 DFAB CC(C)[C@H](NC(=O)CN1CCCCCC1=O)c1cccs1 24318135 IEFSHOAPWUOQFW-INIZCTEOSA-N 308.447 2.964 0 40 DFAB 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315.373 2.690 0 40 DFAB COCCN(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 23597352 RBSIISJHQSXVND-UHFFFAOYSA-N 321.380 2.919 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)C1CCCCC1 3377124 IXIAEGLQNKYQIA-UHFFFAOYSA-N 303.358 2.951 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc2cccnc12 4012055 KDDJXDDCBGIAAL-OSRDXIQISA-N 308.337 2.696 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2cccc[n+]2[O-])c1C 7552566 LIPUAJRAFAUZPY-GFCCVEGCSA-N 318.398 2.831 0 40 DFAB Cc1c(Cl)cccc1NC(=S)N1CCC[C@H](C(N)=O)C1 7578861 FUTLHLOCKZAYGJ-JTQLQIEISA-N 311.838 2.543 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2C)cc1 12542001 OUXACBMLHFAWTB-FDQGKXFDSA-N 305.418 2.797 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1cccc(F)c1)c1ccsc1 25328997 QGVKMXDSIBDYBH-OAHLLOKOSA-N 306.406 2.849 0 40 DFAB O=C1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CCN1 93101620 QRTDKOPCDPDNTH-UHFFFAOYSA-N 306.312 2.547 0 40 DFAB CO[C@H](C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1ccccc1 108169167 PXYIWNIBTYHUIK-OAGGEKHMSA-N 305.418 2.630 0 40 DFAB 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CCOC(=O)Nc1cccc(Oc2cc(C)nc3ncnn23)c1 58369088 CPLCUZCANIKMPH-UHFFFAOYSA-N 313.317 2.793 0 40 DFAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 12757695 LTTMCVSNIIZRCW-AWEZNQCLSA-N 314.316 2.899 0 40 DFAB C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 72310063 OYBMUHGTHNULTI-UNEWFSDZSA-N 304.409 2.952 0 40 DFAB O=C(Nc1nccs1)c1ccn(COc2ccc(F)cc2)n1 2787966 IVTXBIBMMREJMY-UHFFFAOYSA-N 318.333 2.768 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1C 46813492 KABFUYJMSFVSQT-UHFFFAOYSA-N 308.403 2.729 0 40 DFAB CC(=O)N[C@@H](CC(=O)NCc1ccc(C)cc1)c1cccs1 12265861 KVLOGZFACBQBHM-HNNXBMFYSA-N 316.426 2.940 0 40 DFAB COCCN(C)CCCNCc1ccc(Br)cc1 97287839 UTBJCWWWAWXGDD-UHFFFAOYSA-N 315.255 2.507 0 40 DFAB O=C1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CN1 84392704 YBCNZULVXADIIX-WMLDXEAASA-N 318.392 2.699 0 40 DFAB C[C@H](CCc1cccc(F)c1)N1CCC(N2CCNC2=O)CC1 97370756 KNPBJMIXPMRYFI-CQSZACIVSA-N 319.424 2.636 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCCc3ccccn3)c12 9157908 UGTVJDOIGHXUTH-UHFFFAOYSA-N 322.368 2.776 0 40 DFAB COc1ccc(NC(=O)C2CCC2)cc1N1CCCCC1=O 38699290 DUGPYEIOUWSXGU-UHFFFAOYSA-N 302.374 2.951 0 40 DFAB Cn1nc2c(c1NC(=O)Cc1coc(-c3ccccc3)n1)CCC2 65492197 SYZHBRUNVYDZHJ-UHFFFAOYSA-N 322.368 2.745 0 40 DFAB CN1CCC(N(C)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 5347569 QALLGPCIPYUUGV-UHFFFAOYSA-N 305.809 2.988 0 40 DFAB CNC(=O)c1cccc(NC(=O)N[C@@H]2CCc3ccccc3C2)c1 65613971 AWUPTSQLGUBQFK-QGZVFWFLSA-N 323.396 2.725 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H]1CCCNC1=O 65614721 QKJSISMTVGSZFN-ZDUSSCGKSA-N 323.824 2.865 0 40 DFAB Cc1noc(C)c1C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1F 66298893 WGIVTUNKOSCISM-SAHAZLINSA-N 324.377 2.706 0 40 DFAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCc3ccccc32)c1 15563528 WOQUSTBHGIRDKY-UHFFFAOYSA-N 308.381 2.623 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccnc(C)n2)C1(CC)CC 81616204 ZYJFZGCGHLKUMO-HUUCEWRRSA-N 305.422 2.841 0 40 DFAB COC(=O)c1cccc(CNC(=O)c2ccc3[nH]ccc3c2)c1 95411521 PEJIWMJDKUUDCJ-UHFFFAOYSA-N 308.337 2.885 0 40 DFAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1cn[nH]c1 70040359 BWYDWQCPPFQXBR-UHFFFAOYSA-N 315.308 2.568 0 40 DFAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCOCC1 69383289 NBCRISVVKULVEL-UHFFFAOYSA-N 323.299 2.700 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(OC)cc1 69491714 NEYDXQISSYVBMW-IRXDYDNUSA-N 302.418 2.784 0 40 DFAB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCC(C)(C)c1ccc(F)cc1 69513511 OHRPUTFZHSOBFY-CJNGLKHVSA-N 323.408 2.804 0 40 DFAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H]2c2cc(C)on2)n1 71828061 UJMGLHJJROYMPW-UKRRQHHQSA-N 302.378 2.721 0 40 DFAB O=C(COC[C@@H]1CCCO1)Nc1cccc(-n2cccc2)c1 71803281 NDXULPMNXSUSSJ-INIZCTEOSA-N 300.358 2.611 0 40 DFAB C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H](c2ccccc2)O1 71827191 MOPCLLWDJQIWLY-SJCJKPOMSA-N 311.385 2.889 0 40 DFAB O=C(Nc1cnn(CC(F)F)c1)c1cc(-c2cccs2)n[nH]1 71909801 XFLNCPPGJJJZSB-UHFFFAOYSA-N 323.328 2.852 0 40 DFAB Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NCc2ccccn2)C1 71915700 MYNHXDBQAPUQQO-SJORKVTESA-N 323.440 2.884 0 40 DFAB Cc1ccc(N2CC[C@@H](NC(=O)Cc3cccs3)C2=O)cc1 65228887 GJWSWXILSVMOSF-OAHLLOKOSA-N 314.410 2.521 0 40 DFAB COC(=O)C[C@H](C)NC(=O)c1ccc2ccc(Cl)cc2n1 84168282 GQRNQWAEMWOKDR-VIFPVBQESA-N 306.749 2.570 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@@H]1CCc3ccccc31)C2 72285650 UWLRVBAMDOXQCY-HOTGVXAUSA-N 309.413 2.743 0 40 DFAB COc1cccc2cc([C@@H](C)N[C@H](C)Cn3cncn3)oc12 95987850 IUOHGJWHSMQMAD-VXGBXAGGSA-N 300.362 2.772 0 40 DFAB Cc1nc(CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)no1 95959682 YTIAZLZVOCOHTI-LBPRGKRZSA-N 320.824 2.910 0 40 DFAB OC[C@H]1CCCCC[C@H]1Nc1nnc(-c2ccccn2)s1 95940430 LFJPNEMZVSBVPS-VXGBXAGGSA-N 304.419 2.953 0 40 DFAB Cc1c(NC(=O)Nc2cc(Cl)ccc2F)cnn1CCO 89544794 OSRWRJBXYAQUJP-UHFFFAOYSA-N 312.732 2.620 0 40 DFAB CC(C)c1nnc2n1CCN(c1ccnc(-c3ccccc3)n1)C2 75128581 VLMAUKSWPPWJEW-UHFFFAOYSA-N 320.400 2.879 0 40 DFAB CC(C)[C@@H](C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89791224 NEPQMQLLNPBGEX-GFCCVEGCSA-N 306.381 2.656 0 40 DFAB O=C(O)c1cccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nn2)c1 75495148 VSACGVGLUWNOQE-UHFFFAOYSA-N 310.269 2.541 0 40 DFAB Cn1ccnc1SCC(=O)NCC(C)(C)Cc1ccccc1 76016942 ZKOKIZISOYXZKQ-UHFFFAOYSA-N 317.458 2.897 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl 74935396 VROUMBRQBMPPNH-UHFFFAOYSA-N 318.807 2.996 0 40 DFAB CCOc1ccc(-c2csc3ncc(C(=O)O)c(=O)n23)cc1 197566005 FVNLXAFSFXURED-UHFFFAOYSA-N 316.338 2.520 0 40 DFAB O=C(NCCc1ccc(O)nc1)[C@H]1CC[C@H]1c1ccc(F)cc1 529368328 TUAUNHRTORSTTP-HOTGVXAUSA-N 314.360 2.779 0 40 DFAB C[C@H](c1c(F)cccc1F)N1CCC(N(C)CC(=O)O)CC1 191737130 WNQQPGGJSRLOJJ-LLVKDONJSA-N 312.360 2.507 0 40 DFAB COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)n[nH]c1C 85877634 MPIDFWKIFYAAMX-ZDUSSCGKSA-N 314.341 2.546 0 40 DFAB biogenic CCc1noc([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 41122758 AJRULSQEVYTHLA-AWEZNQCLSA-N 315.373 2.765 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cccc(Cn2cccnc2=O)c1 194203308 ZIBBUZJNNZSUMY-CQSZACIVSA-N 309.369 2.586 0 40 DFAB O=C(Nc1cnn(Cc2ccccn2)c1)NC(C1CC1)C1CC1 195532935 OJYKACNUDQGZRS-UHFFFAOYSA-N 311.389 2.637 0 40 DFAB O=C(O)c1cnn(-c2ccccc2Cl)c1Br 85392589 ARMZTVWWFUBKOA-UHFFFAOYSA-N 301.527 2.986 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccoc3)C2)c1 81640060 IBFXSMKWBLNQAW-LBPRGKRZSA-N 301.342 2.927 0 40 DFAB CCn1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1 96193050 JFTMBBSEBVAELE-UHFFFAOYSA-N 312.373 2.775 0 40 DFAB CC(C)c1cc(CNC(=O)c2cc(F)c(F)c(O)c2F)on1 97237051 YGGAWLPVPOXVIX-UHFFFAOYSA-N 314.263 2.851 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccc3ccn(C(C)C)c3c2)CC1 95472766 FLLVJKSITZKDFV-UHFFFAOYSA-N 313.401 2.527 0 40 DFAB O=C(C1=CCCC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039943 OQAQYDGTARCWOL-HKUYNNGSSA-N 319.445 2.921 0 40 DFAB CCOc1cccc(CO)c1OCC(=O)Nc1ccc(C)cc1 95095160 PYLCDJHBMJXSOE-UHFFFAOYSA-N 315.369 2.904 0 40 DFAB CCc1nnc2n1C[C@H](NC(=O)c1oc3ccccc3c1C)CC2 97198661 ZLBJIJYHPXBACK-GFCCVEGCSA-N 324.384 2.640 0 40 DFAB CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc12 96242048 LLYPKVOARAFGOK-OAHLLOKOSA-N 314.429 2.532 0 40 DFAB O=C(NCCOCc1ccccc1)[C@H]1CCOc2ccccc21 96446353 IBGCQSCCCPBYSK-KRWDZBQOSA-N 311.381 2.886 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c1 96433494 KQBIMDWAZMOIER-UHFFFAOYSA-N 321.402 2.711 0 40 DFAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)c1 96229689 SCRCLFHYWVFYAU-IBGZPJMESA-N 314.429 2.921 0 40 DFAB c1cncc(CO[C@@H]2C[C@H]3C[C@H]2CN3Cc2nccs2)c1 247972637 VGTUHTNVPIEPGD-RRFJBIMHSA-N 301.415 2.718 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)n1 257344141 ZVYALFKBYGMCAU-HNNXBMFYSA-N 323.396 2.900 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](c2cnc(-c3cn[nH]c3)cn2)C1 257214032 CKFWHGCQDIPCRD-GFCCVEGCSA-N 313.405 2.619 0 40 DFAB CNc1cc([C@H]2CCCN2S(=O)(=O)C2CCCC2)ccn1 257208299 BLNMSWCHONIVGF-CQSZACIVSA-N 309.435 2.533 0 40 DFAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3cnccn3)cc2[nH]1 257241628 HYVHZQNDAFGTOF-INIZCTEOSA-N 307.357 2.639 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575402889 DRPVYFFCEKQXFR-LBPRGKRZSA-N 324.421 2.876 0 40 DFAB Cc1ccccc1S(=O)(=O)N1c2ccccc2NC(=O)[C@H]1C 585139648 DPYVVUYPWLVOIH-GFCCVEGCSA-N 316.382 2.531 0 40 DFAB O=C1CCCC[C@@H]1n1nnc(-c2ccc(Br)cc2)n1 71858175 AVXCFRYTOMJLBO-NSHDSACASA-N 321.178 2.787 0 40 DFAB CCC(CC)[C@@H](NC(=O)CN1CCCC1=O)c1cccs1 56008022 AGTUKLGHAZVMPV-MRXNPFEDSA-N 308.447 2.964 0 40 DFAB Cc1ccc(C)n1-c1c(C(=O)NC2CCCCC2)cnn1C 57180721 DDFHLSZZZDRDBR-UHFFFAOYSA-N 300.406 2.890 0 40 DFAB C[C@H](O)CN(Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 555377717 SPCGBWJSGLYCHB-HNAYVOBHSA-N 317.404 2.612 0 40 DFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 5391362 ZKIDBCGUPPIVMK-SNVBAGLBSA-N 320.320 2.869 0 40 DFAB CCc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 5184181 JSGMKWBCNXGHIQ-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1C 11614030 WALUSNCKSFYGPL-VIFPVBQESA-N 306.225 2.834 0 40 DFAB O=C(CNC12CC3CC(CC(C3)C1)C2)NCc1cccs1 12623270 ZFBIKKGMLOEORV-UHFFFAOYSA-N 304.459 2.923 0 40 DFAB COc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 13011208 FDZLNIDKRJSSNA-OAHLLOKOSA-N 304.415 2.789 0 40 DFAB COc1ccc(CN(Cc2ccco2)C[C@H](C)O)cc1OC 13991750 ZCGWUZCDFHFOPZ-ZDUSSCGKSA-N 305.374 2.680 0 40 DFAB Cc1nc(NCc2ccccc2OCc2cccnc2)n(C)n1 162433186 IGAACYYXUFNELE-UHFFFAOYSA-N 309.373 2.710 0 40 DFAB Cc1cccnc1CN1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 643913903 KGTQRHDMFPZUEB-APWZRJJASA-N 314.404 2.955 0 40 DFAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)NC(C)(C)C 7191462 FVJKMTPTQVEXKD-ZDUSSCGKSA-N 314.385 2.937 0 40 DFAB COc1ccccc1CNC(=O)[C@@H](C)N(C)Cc1ccc(C)o1 16377647 RGVRLCPMUKJKFX-CQSZACIVSA-N 316.401 2.733 0 40 DFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 100763 PVHHOHOOFOHDAI-CYBMUJFWSA-N 310.353 2.687 0 40 DFAB Cc1ccc(Cn2cccc(C(=O)Nc3cccnc3)c2=O)cc1 4330240 JAUYAEVYGJWPLG-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB Cc1cccc(C(=O)N2CCC(COc3ncccn3)CC2)c1 1775969291 IZKQNIFJKRIKRY-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB CC[C@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCCC1 40092365 NDFLGAINQXLTMO-GFCCVEGCSA-N 303.362 2.539 0 40 DFAB COc1cccc(COCC(=O)NCCc2ccc(F)cc2)c1 40107240 FAZFJZPUPBRSRM-UHFFFAOYSA-N 317.360 2.710 0 40 DFAB CCN(Cc1ccncc1)C[C@@H](O)COc1ccc(C)cc1 40162328 FEMGQMHBZWKKRY-QGZVFWFLSA-N 300.402 2.652 0 40 DFAB Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2occc21 40284515 DVZAYDHSQUNCEG-UHFFFAOYSA-N 323.396 2.729 0 40 DFAB Cc1nc(COc2ccccc2C(=O)NCC2CCCC2)no1 31984965 IPCUQCDWKUGFEL-UHFFFAOYSA-N 315.373 2.877 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H]1C[C@H](C)OC1=O 32741793 SWNJRNPQPAOQMD-CABZTGNLSA-N 317.366 2.979 0 40 DFAB CN(Cc1c(F)cccc1Cl)c1ncnc2c1cnn2C 21996720 CKDMLBZTJAKBRE-UHFFFAOYSA-N 305.744 2.792 0 40 DFAB CCOc1ccc(CNC(=O)N(C)Cc2ccncc2)cc1F 72268272 AMQHXTVKCXMESE-UHFFFAOYSA-N 317.364 2.961 0 40 DFAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccn1C 79073840 CHAQWFSBRCVZID-QGZVFWFLSA-N 318.392 2.996 0 40 DFAB COc1ccc(NC(=O)N2CCC(n3ccnc3)CC2)cc1F 105354407 XIWKAHPXDWNLDN-UHFFFAOYSA-N 318.352 2.900 0 40 DFAB COC(=O)c1ccc(F)c(NCC(=O)Nc2ccccc2)c1 23903254 ZCXQAKXOZOOHEX-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 4195907 VFIWTRLHZHTTNY-CWSCBRNRSA-N 315.822 2.816 0 40 DFAB O=C(NCCCn1ccnc1)N1CCC[C@@H]1c1ccsc1 42897861 WGFZTGABTURKQL-CQSZACIVSA-N 304.419 2.881 0 40 DFAB COc1ccc(-c2noc(CCCC(=O)NC(C)C)n2)cc1 4433263 GKFKZAHFRJRIBH-UHFFFAOYSA-N 303.362 2.593 0 40 DFAB c1cn(-c2ccc(CNCCc3ccc4c(c3)OCO4)cc2)cn1 24778732 FGOPLYNJSXVVON-UHFFFAOYSA-N 321.380 2.933 0 40 DFAB Cc1cccc(CN2CC[C@@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 107226028 UJIULTFOMYEFJM-RTBURBONSA-N 324.428 2.631 0 40 DFAB COc1ccc(C(=O)NCCOc2cccc(C)c2)cc1F 7313196 UBQLBXUKMQWXOU-UHFFFAOYSA-N 303.333 2.952 0 40 DFAB COc1ccc(OCCNC(=O)CSc2ccccc2)cc1 7815685 SAGAFTSCYRIBLW-UHFFFAOYSA-N 317.410 2.983 0 40 DFAB Cc1ccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 8372944 PDNAOXVIYNXKLH-UHFFFAOYSA-N 321.332 2.781 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc(C)o2)cs1)C(C)C 24006258 CLMOSDZYCZYNSE-ZDUSSCGKSA-N 321.402 2.811 0 40 DFAB O=C(C[C@@H]1[C@@H]2CN(Cc3ccsc3)C[C@@H]21)NCc1ccco1 107745944 GPSUREYPTXCWOS-MUJYYYPQSA-N 316.426 2.725 0 40 DFAB Cc1noc(C2CCN(C(=O)NCCc3cccs3)CC2)n1 57773846 WCSZLEARSIUQKF-UHFFFAOYSA-N 320.418 2.571 0 40 DFAB CCC(=O)NCC(=O)NCc1ccccc1Oc1ccccc1 58269159 MITQGWJMPQYEFA-UHFFFAOYSA-N 312.369 2.621 0 40 DFAB CO[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 20238593 NIBDBFFUVQYCKU-SFHVURJKSA-N 310.397 2.723 0 40 DFAB Cn1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)ccc1=O 58439044 KKZVJSQOLQBLFS-UHFFFAOYSA-N 302.761 2.709 0 40 DFAB CCc1cnc(C(=O)N(C)[C@H](CCO)c2ccccc2)s1 97115728 YYHUFBANUVKDAT-CQSZACIVSA-N 304.415 2.901 0 40 DFAB CCCN1C(=O)S[C@H](CC(=O)Nc2ccccc2C)C1=O 2352060 RDJSVOYBFYVOMJ-GFCCVEGCSA-N 306.387 2.798 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(Cl)cc1 59034940 SQMONWFEKYYBNK-CQSZACIVSA-N 318.808 2.950 0 40 DFAB COc1ccc(-c2nnc(SCC(=O)OC(C)C)n2C)cc1 2449594 LRFUHYLRMLTVIK-UHFFFAOYSA-N 321.402 2.534 0 40 DFAB O=C(NC1CCN(Cc2ccccn2)CC1)C1CCCCC1 48356599 LDCGMEHGPIMYEG-UHFFFAOYSA-N 301.434 2.743 0 40 DFAB Oc1nc(Cl)nc2cccc(I)c12 26899505 XYLBHVYPDJQFJS-UHFFFAOYSA-N 306.490 2.593 0 40 DFAB Cc1nc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc2o1 12879530 QVOLWVDUVMLJBZ-RYUDHWBXSA-N 300.314 2.742 0 40 DFAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC1 2657693 FMYJMKKRIDPTJM-UHFFFAOYSA-N 311.337 2.914 0 40 DFAB CC(C)(C)c1n[nH]cc1CNCCCN1CCCCCC1=O 97159377 PEQZLVFHXUQAFN-UHFFFAOYSA-N 306.454 2.590 0 40 DFAB O=C(COc1ncnc2sccc12)Nc1ccccc1F 2619243 OZRHJFPHGCNXPT-UHFFFAOYSA-N 303.318 2.848 0 40 DFAB Cc1nc(C(=O)OCc2nncn2C2CC2)c(-c2ccccc2)o1 97136984 BXFKSMNEQIMCHK-UHFFFAOYSA-N 324.340 2.933 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(CO)cc1 3434296 VQJFFHBFPCBMAN-UHFFFAOYSA-N 314.337 2.747 0 40 DFAB COC(=O)C1(NC(=O)c2cc(F)cc(F)c2)CCCCCC1 12999508 HQTJWMIIEGTAGF-UHFFFAOYSA-N 311.328 2.961 0 40 DFAB Cc1ccccc1CNC(=O)NC[C@@H]1COc2ccccc2O1 12935380 ZCPOFDVAYDPDHF-OAHLLOKOSA-N 312.369 2.634 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 13006179 IOGLTEVSKCMRML-GFCCVEGCSA-N 315.394 2.682 0 40 DFAB CCC(CC)NC(=O)CSc1nnc(C)n1-c1ccccc1 6109267 AMXOSGBDQBASDK-UHFFFAOYSA-N 318.446 2.973 0 40 DFAB O=C(Cn1nnc2ccccc21)N[C@H]1CCCc2ccccc21 5109977 LTEIJGFHLMLGJB-HNNXBMFYSA-N 306.369 2.625 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1c1ccccc1 65586555 BDABUOGLHDKJQH-BHYGNILZSA-N 303.402 2.934 0 40 DFAB Cc1nc2nc(C(F)(F)F)nn2c(O)c1Cc1ccccc1 9357155 MRFYKXRPIVZOOP-UHFFFAOYSA-N 308.263 2.748 0 40 DFAB CC[C@@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2)CC1 4680228 MCWBGNKMVUPRBT-CQSZACIVSA-N 304.434 2.822 0 40 DFAB C[C@H]1CN(C(=O)CSc2ccc3ccccc3n2)C[C@H](C)O1 5627572 ONQZSULVKLXYJR-STQMWFEESA-N 316.426 2.963 0 40 DFAB CC(C)(C)OC(=O)NCCCNC(=O)c1cc(F)ccc1F 71799980 VLEPGWCVGCAUFF-UHFFFAOYSA-N 314.332 2.609 0 40 DFAB NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1F 67298326 XPFUJQYMUBPSCK-SILNSSARSA-N 316.263 2.748 0 40 DFAB C[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 7358695 NVDBZGAUBJFDNV-OAHLLOKOSA-N 301.434 2.957 0 40 DFAB c1ccc(-c2cnc(COc3ccc(-n4cnnn4)cc3)o2)cc1 7393895 GLPXEIIBBZRTSM-UHFFFAOYSA-N 319.324 2.896 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C12CCC2 96423897 WETRSUIAROHKTE-JKSUJKDBSA-N 313.401 2.569 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1OC 7758316 HACYXYNUJDADKA-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB CC(C)(C)[C@H](NCc1ccc(Br)s1)C(N)=O 81606565 ATULFIFPWBQGHE-SECBINFHSA-N 305.241 2.500 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 71830752 SEXJIXLRYABKGA-IJEWVQPXSA-N 317.433 2.568 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccccn2)C1 71857166 CPDZTOSIDBCMND-GJZGRUSLSA-N 304.438 2.562 0 40 DFAB Cc1cc(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)no1 69451287 RODIOKRDIMRBIC-LLVKDONJSA-N 324.381 2.504 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 71817154 HCGRSLAOCRQCIM-LBPRGKRZSA-N 305.403 2.778 0 40 DFAB C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(F)cc1 71893573 DYDXTMLOSGMFGB-LLVKDONJSA-N 310.369 2.811 0 40 DFAB Cc1ccccc1C1(CNC(=O)NCCCn2ccnc2)CC1 69567806 GXXIKWJRWOUBOL-UHFFFAOYSA-N 312.417 2.613 0 40 DFAB Cc1cc(C)cc(OCCNC(=O)NCc2c(C)noc2C)c1 69568830 PDVJXALFNZIVBG-UHFFFAOYSA-N 317.389 2.786 0 40 DFAB CC(C)C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)C(C)C)c1 69629698 LEKCYQMXWYLXPV-HNNXBMFYSA-N 321.421 2.810 0 40 DFAB C[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1 408707637 PQIACKLFHVPZCS-HNNXBMFYSA-N 314.429 2.913 0 40 DFAB Cc1cccc2c(=O)n(CC(=O)OC3CCCCC3)cnc12 8923629 ZHLBZLSZMUQBDU-UHFFFAOYSA-N 300.358 2.581 0 40 DFAB COc1c([C@@H]2CCCN2CCc2ccccn2)c(C)nn1C 72267597 ANCILQQFMYRZTB-HNNXBMFYSA-N 300.406 2.512 0 40 DFAB O=C(CCc1ccc(Cl)s1)N1CCC[C@@H](n2cncn2)C1 72234910 NHJKIFOFCSCRED-LLVKDONJSA-N 324.837 2.789 0 40 DFAB Cc1cnccc1CCNC(=O)Nc1ccn(CCC(C)C)n1 95437962 HDOOPFRXYZVXAZ-UHFFFAOYSA-N 315.421 2.997 0 40 DFAB CCCCN1CCC(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)CC1 73967829 PUXYHSSGDFBCQJ-HZPDHXFCSA-N 305.466 2.859 0 40 DFAB C[C@@H](O)CNc1nc2ccccc2n1Cc1ccc(Cl)cn1 95944877 WMJVERBBNSYCFH-LLVKDONJSA-N 316.792 2.926 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(F)cc(F)c1 95980291 JZFAZWDWULKXHN-CQSZACIVSA-N 321.327 2.518 0 40 DFAB Cc1cc(C(=O)OC2([C@H]3CCOC3)CC2)nn1-c1ccccc1 76090842 DAVXRJWPKJFBQD-AWEZNQCLSA-N 312.369 2.907 0 40 DFAB CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 76022959 TVNAKOGVKUNFTP-JKSUJKDBSA-N 318.417 2.520 0 40 DFAB COc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1Cl 69896889 DKDKGEYXNABLGN-LLVKDONJSA-N 319.810 2.659 0 40 DFAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2 28245066 HJUXSBVQCFQVJX-UHFFFAOYSA-N 307.309 2.853 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3cccc(C)c3)C2=O)c1 36635364 GWAIPQAVODHTAJ-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)NC3CCCC3)C1)CO2 306137031 QJNFRBSHZLCNBF-GOSISDBHSA-N 300.402 2.983 0 40 DFAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCOCC1 216866021 WCNGGPTURUVWCD-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB Cc1nccc(N2CCC[C@@H]2c2ccnc(-c3ccccn3)n2)n1 72355882 WPSAYIJREXFXOM-MRXNPFEDSA-N 318.384 2.979 0 40 DFAB CC(C)c1nc(/C=C/c2c(Cl)cnn2C)ncc1C(=O)O 187211098 JNKMFBGDKKARNF-SNAWJCMRSA-N 306.753 2.856 0 40 DFAB CSCc1cccc(CNC(=O)NCc2ccccn2)c1 187809856 ZLUHAMDIUIAZPX-UHFFFAOYSA-N 301.415 2.944 0 40 DFAB CCc1nnc(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)n1C 564006452 UKZDOQSENYPPFC-CYBMUJFWSA-N 316.405 2.736 0 40 DFAB C[C@@H](O)CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 192542482 PAMVWNIKZIXACE-NOZJJQNGSA-N 316.323 2.837 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 226387914 CBUGEEDRWFOKJU-UGMMYLGUSA-N 322.408 2.726 0 40 DFAB COc1cc(I)c(OC(C)C)c(C=O)c1 225273501 CPOVWNMQJRETBH-UHFFFAOYSA-N 320.126 2.900 0 40 DFAB CCOc1ccc(-c2noc(CSc3cn[nH]n3)n2)cc1 96466024 JFFNFDBZBHMIQL-UHFFFAOYSA-N 303.347 2.546 0 40 DFAB O=C(NCc1ccco1)N1CCC(OC[C@@H]2CCCCO2)CC1 96455564 DWPBCMHOOHKTSS-INIZCTEOSA-N 322.405 2.539 0 40 DFAB CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccnn1C 93940346 KCSAAPJGNVYXGD-HNNXBMFYSA-N 321.808 2.793 0 40 DFAB CC(C)(C)n1cc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)cn1 97377225 LCYAMMWUOHCVFN-LLVKDONJSA-N 318.343 2.603 0 40 DFAB COCC[C@H]1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1 96220226 SIPLNHCZKKMYDH-QGZVFWFLSA-N 317.429 2.663 0 40 DFAB CC1(C)CCCN1S(=O)(=O)c1cc(Cl)cnc1Cl 583651547 ODPXYUNFSVADGJ-UHFFFAOYSA-N 309.218 2.952 0 40 DFAB O=C(c1ccsc1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96186694 SPEBZGCEUORQNT-PMPSAXMXSA-N 321.442 2.937 0 40 DFAB O=C(CC1CC1)N1CCN(Cc2cccnc2)c2ncccc2C1 96198950 UDFGVOPNZDJNMM-UHFFFAOYSA-N 322.412 2.626 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccncc1)[C@@H]2C 96061984 WIUZTTBBXGFGJE-OAHLLOKOSA-N 313.449 2.695 0 40 DFAB COc1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 247940255 WONSGKWAEWIBEJ-OBJOEFQTSA-N 319.401 2.878 0 40 DFAB Cc1cc(O)nc([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)n1 257271756 MZRLZBSAOCIJPP-MRXNPFEDSA-N 324.384 2.545 0 40 DFAB O=C(c1ccc(Cc2ccccc2)nc1)N1CCC[C@H](O)CC1 257285079 PFOGUSKOPMOIHO-SFHVURJKSA-N 310.397 2.659 0 40 DFAB COc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC 257301840 SAEGUMHUQLFDRU-QGZVFWFLSA-N 305.418 2.855 0 40 DFAB C[C@H](CNc1cccc(C(=O)O)n1)N1CCc2ccccc2C1 263526724 UISMMFOZMOOSHS-CYBMUJFWSA-N 311.385 2.639 0 40 DFAB CN(CC(=O)Nc1ccc2c(c1)OCO2)CC1CCCCC1 29455012 SYTLSCLXSVTYRJ-UHFFFAOYSA-N 304.390 2.866 0 40 DFAB CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)cs1 30979028 ZRCZZWZPJJIYIT-UHFFFAOYSA-N 300.387 2.594 0 40 DFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN1 953025684 CUMCYXIKQWVUDQ-LJQANCHMSA-N 309.413 2.502 0 40 DFAB NC(=O)[C@@H]1CCCCN1Cc1csc(-c2ccccc2)n1 44867548 YZILFNXZYAZQRX-AWEZNQCLSA-N 301.415 2.650 0 40 DFAB COc1c(C)cnc(CNC(=O)Cc2ccc(C)s2)c1C 50447572 OCRCUAUFQZTSOO-UHFFFAOYSA-N 304.415 2.936 0 40 DFAB COCCOCCCNC(=O)c1cc(F)c(Cl)cc1Cl 52853053 DJIHPRYKCSLDOW-UHFFFAOYSA-N 324.179 2.915 0 40 DFAB Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O 83295042 RBHBOUYXUXWCNJ-IZZDOVSWSA-N 300.289 2.962 0 40 DFAB in-vitro CCCc1nnc(S/C(=C\c2cccc(OC)c2)C(=O)O)[nH]1 7342281 KBYWXQCIARFIEW-XFXZXTDPSA-N 319.386 2.984 0 40 DFAB CC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226350999 GWIDKCKGCYXBCA-UHFFFAOYSA-N 318.354 2.786 0 40 DFAB COc1ccc(CNCc2ccc(C(=O)O)cc2)c(OC)c1 8473097 PJAUWXUULYBTFW-UHFFFAOYSA-N 301.342 2.692 0 40 DFAB CN(CCN1CCCCC1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 12206183 WXRYZYUUUJFNNR-MRXNPFEDSA-N 322.836 2.588 0 40 DFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 3907505 LPBSCUWYBUFKGK-CYBMUJFWSA-N 322.430 2.525 0 40 DFAB c1csc(-c2csc(CNCCN3CCOCC3)c2)c1 35255939 HJXKTSAOBOXELJ-UHFFFAOYSA-N 308.472 2.898 0 40 DFAB CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=O)oc12 7499174 MPZPYYQORYBSPT-UHFFFAOYSA-N 324.336 2.517 0 40 DFAB biogenic,in-vitro Cc1ccc2ncc(C(=O)Nc3ccc(C)c(C)c3)c(=O)n2c1 9830074 PDRVIXQJYODGDM-UHFFFAOYSA-N 307.353 2.872 0 40 DFAB O=C(Nc1cc2c(cc1[C@@H](O)C1CC1)OCCO2)c1ccco1 13957457 JLJXHAXKNLSXFO-INIZCTEOSA-N 315.325 2.747 0 40 DFAB Cn1cc([C@H]2CN(C(=O)c3ccoc3)Cc3ccccc32)cn1 575618286 GIIIGLURDZBCEP-QGZVFWFLSA-N 307.353 2.801 0 40 DFAB CCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)s1 40106763 KUAUIZMMBCSQMF-HNNXBMFYSA-N 315.394 2.708 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1 30809933 VBBJAAJXVSWANJ-UHFFFAOYSA-N 311.297 2.570 0 40 DFAB CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101709552 NNIUNXIOZBACSF-CYBMUJFWSA-N 315.369 2.667 0 40 DFAB O=C1CN(C(=O)CSCc2cccs2)c2ccccc2N1 32676298 PCDBKXKINQZHFZ-UHFFFAOYSA-N 318.423 2.967 0 40 DFAB COCCCN1CC(O)=C(c2nc3ccccc3s2)C1=N 102750916 YTIUDOOCTXNQHM-UHFFFAOYSA-N 303.387 2.895 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1 41452568 ZHSDSPGXKFJSRU-UHFFFAOYSA-N 310.401 2.558 0 40 DFAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc2[nH]nnc2c1 22375463 NJVXQVYUUNNNEQ-UHFFFAOYSA-N 313.386 2.936 0 40 DFAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccn1 807538 FLJQNRMRKJMSCC-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CCC(CC)[C@H](CNC(=O)Nc1ccccc1)N1CCOCC1 23053677 RAVWEOKNTZXIOC-KRWDZBQOSA-N 319.449 2.945 0 40 DFAB Cc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 382713 ADDQIKXEDUKZQA-UHFFFAOYSA-N 324.446 2.528 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCN(C2CCCC2)C1 78551274 HUXNYSIPBBSWBP-SICOMBFOSA-N 320.458 2.594 0 40 DFAB CC(C)N(C(=O)COC(=O)c1cccc(O)c1)c1ccccc1 6120068 GYWYVVAYIYESFM-UHFFFAOYSA-N 313.353 2.991 0 40 DFAB CCc1cccc2c(C=O)cn(CC(=O)NCc3ccco3)c12 6285615 ZHGUVJUQJXAOBX-UHFFFAOYSA-N 310.353 2.926 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6725385 WSYPDCZGUZHFBG-BBJCOLAGSA-N 317.385 2.619 0 40 DFAB CC(C)CC[C@H](C)NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 24463422 NSPUVUGZXSAZJQ-SWLSCSKDSA-N 323.412 2.866 0 40 DFAB NCCc1c[nH]c2cccc(OC(=O)c3ccc(C(=O)O)cc3)c12 7518893 OWDPUTPSRGUHQV-UHFFFAOYSA-N 324.336 2.587 0 40 DFAB biogenic,in-vitro O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCSCC1 43135871 CKFDKQXOBZKRQX-AWEZNQCLSA-N 323.462 2.565 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(-c2ccccc2)[nH]n1 24990400 OAZRVJQPTSASMT-AWEZNQCLSA-N 321.384 2.618 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(F)cc1Cl 25048230 RFKXAKXRAPHMHD-UHFFFAOYSA-N 300.761 2.970 0 40 DFAB NC(=O)OCCNc1ncnc2sc(-c3ccccc3)cc12 95460547 BHVBOPGUKHBTCX-UHFFFAOYSA-N 314.370 2.866 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47932016 FFJRIPSHDNTBIP-VIFPVBQESA-N 303.387 2.870 0 40 DFAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 3208121 DZAQEXJIYVGGBH-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB COC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(C)cc1 102812236 NQBGFMQBDPKNCW-UBHSHLNASA-N 318.369 2.555 0 40 DFAB CCOc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 9876536 XHJMVFNLFDNTCH-ZDUSSCGKSA-N 307.463 2.714 0 40 DFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Cl)cn1 26860538 RIBONHKXFPCPSN-UHFFFAOYSA-N 317.732 2.672 0 40 DFAB c1cc(-c2noc(CN3CCC[C@H](N4CCCC4)C3)n2)cs1 48236181 YNDCHTROZIKPRY-AWEZNQCLSA-N 318.446 2.858 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1 95455736 RHKYORNANDLQKA-ABAIWWIYSA-N 317.389 2.724 0 40 DFAB CCCCc1nnc2n1N=C(c1ccc(OC)cc1)CS2 27525490 AXTXETNAVUBAMX-UHFFFAOYSA-N 302.403 2.987 0 40 DFAB Cc1cccc(C(=O)NC[C@@H](CCC(=O)O)C(F)(F)F)c1 12770531 OXMCHHOCLNQIAV-LLVKDONJSA-N 303.280 2.768 0 40 DFAB O=C(NC1(c2ccccc2)CCC1)c1c[nH]c(=O)c(Cl)c1 58246189 MYVQNOQWPASDMY-UHFFFAOYSA-N 302.761 2.838 0 40 DFAB CS[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 58369981 HGVOMHHCHRPTOP-MRVPVSSYSA-N 300.811 2.732 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3cccc(C(=O)O)c3)CC2)c1 2457458 FUFBVTRRHDQAPW-UHFFFAOYSA-N 324.380 2.656 0 40 DFAB Fc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cc1 107803345 VVPXTKPUJIKDNF-MSOLQXFVSA-N 304.409 2.511 0 40 DFAB Cc1ccc(C)c([C@@H]2CN(Cc3nnc(C)o3)[C@@H](C)CO2)c1 110641173 PJDFZTYDFCFTDU-BBRMVZONSA-N 301.390 2.957 0 40 DFAB C[C@H]1CCc2nc(NC(=S)NC[C@@H]3CCCO3)sc2C1 2766742 SPDZCJPJFDWEDE-UWVGGRQHSA-N 311.476 2.733 0 40 DFAB CCN(CC)CCSCc1nc2ccccc2c(=O)n1C 83093411 YONARBXNNVQFNN-UHFFFAOYSA-N 305.447 2.509 0 40 DFAB CCSc1ccc(N[C@H](C)C(=O)Nc2cc(C)no2)cn1 63774095 XSWSLFNYIFHXDC-SNVBAGLBSA-N 306.391 2.929 0 40 DFAB CCc1nnc(NC(=O)c2cc3c(C)nn(C)c3s2)s1 14084502 YACZLLWMVQPGRV-UHFFFAOYSA-N 307.404 2.609 0 40 DFAB Cc1ccc(CNS(=O)(=O)c2c(F)cccc2Cl)cn1 97146850 CCKJGUCLLUSDCA-UHFFFAOYSA-N 314.769 2.661 0 40 DFAB C[C@@H]1CCCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 14157592 NOZFVNPCCAVEEQ-LLVKDONJSA-N 316.384 2.568 0 40 DFAB COc1c(C)cc(CN(C)C(=O)NC[C@H]2CCCO2)cc1C 65608699 KWWZGUAHROUPOR-OAHLLOKOSA-N 306.406 2.632 0 40 DFAB CCCCN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2ccccc21 4554905 MMSFBZSJNBVKQV-IBGZPJMESA-N 324.380 2.689 0 40 DFAB Cc1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)cc1 6507559 AZHQVMAGKAZQIP-UHFFFAOYSA-N 308.366 2.631 0 40 DFAB Cc1ccsc1CCN[C@H]1CC(=O)N(c2ccccc2)C1=O 4689943 XJCZEEUNSBNOGY-AWEZNQCLSA-N 314.410 2.521 0 40 DFAB CN(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 5520635 GJUTYBQZKPNCFY-UHFFFAOYSA-N 320.396 2.588 0 40 DFAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccc(F)cc1 6668055 NYXGDSCOAOIUJW-MRXNPFEDSA-N 319.719 2.892 0 40 DFAB O=C([C@@H]1CCCO1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66688166 VODNWEDMOSGXEO-UONOGXRCSA-N 313.756 2.558 0 40 DFAB CCNC(=O)CSc1nc(C)nc2sc3c(c12)CCC3 5851503 UINHLZLTNPVVJG-UHFFFAOYSA-N 307.444 2.717 0 40 DFAB Cc1ccc(/C=C/C(=O)NCCc2n[nH]c(=S)n2C2CC2)o1 67079893 FZWASGAUMCSYKN-VOTSOKGWSA-N 318.402 2.549 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C(F)(F)F 97136431 FZEYZPVFQWKAOU-GHMZBOCLSA-N 310.360 2.767 0 40 DFAB NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 6935082 LYBRUSKTHPCJOA-UHFFFAOYSA-N 314.316 2.526 0 40 DFAB CC(=O)Nc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1 93863953 JSZNVVOIEKEYOO-QGZVFWFLSA-N 312.417 2.888 0 40 DFAB O=C(COC(=O)c1cc(Cl)ccc1F)NCc1ccco1 7522472 ZADUZBLDBFOHEJ-UHFFFAOYSA-N 311.696 2.545 0 40 DFAB COCCN1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 409143865 NUFKZHBQTBUGGZ-UKTHLTGXSA-N 307.371 2.686 0 40 DFAB CC(C)Nc1ncccc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72300271 SRGGPVNAGOEUQJ-ZDUSSCGKSA-N 313.405 2.645 0 40 DFAB COc1ccc(CC(=O)NCCn2c(C)nc3ccccc32)cc1 8134547 NNCDOFLHIZLFCI-UHFFFAOYSA-N 323.396 2.712 0 40 DFAB C[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(c2ccccn2)CC1 71856738 GNIUOBBQWBDDOG-HIFRSBDPSA-N 302.422 2.538 0 40 DFAB C[C@@H](NC(=O)N(C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C 69415060 QYRLEVZPKCXKHF-HUUCEWRRSA-N 317.433 2.618 0 40 DFAB C[C@H](NC(=O)NCc1cn2ccsc2n1)c1ccccc1 71912653 KKVAWVRIVNITMZ-NSHDSACASA-N 300.387 2.956 0 40 DFAB CCn1ccnc1SCc1cc(=O)n2c(C)csc2n1 8709083 SDKJFMXSBDQQMU-UHFFFAOYSA-N 306.416 2.573 0 40 DFAB CC(C)CC[C@@H]1CCCCN1C(=O)NCc1nnnn1C1CC1 95416242 DYMVYVGWBIDMTR-ZDUSSCGKSA-N 320.441 2.508 0 40 DFAB Cc1c(C(=O)NC[C@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 8990711 ZRCISVJGEKHCTQ-LLVKDONJSA-N 305.374 2.652 0 40 DFAB O=C(CCc1nc2ncccc2[nH]1)Nc1ccc(F)c(F)c1 72405472 NYDGZKVZHLGLBV-UHFFFAOYSA-N 302.284 2.807 0 40 DFAB CC[C@@H](CC(=O)OCc1csc(NC(C)=O)n1)SC 95433704 SRIBNHXVFVENDK-JTQLQIEISA-N 302.421 2.676 0 40 DFAB C[C@](O)(CNC(=O)N[C@@H]1CCCc2ccccc21)c1ccco1 73432935 XVTVKXQTLDCVJN-QAPCUYQASA-N 314.385 2.864 0 40 DFAB CCOc1cc(C)ccc1NC(=O)[C@H](CC)N1CCCC1=O 95990724 ZJXVRQHMEASHTJ-AWEZNQCLSA-N 304.390 2.733 0 40 DFAB CSc1ccc(CNC(=O)N2CCCC[C@H]2CCO)cc1 95987548 AJTUOIIDQXWHDU-AWEZNQCLSA-N 308.447 2.855 0 40 DFAB C[C@H](NCCCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1 95967628 XDCLGXSYDGLPSQ-HNNXBMFYSA-N 309.417 2.889 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)[C@H]1C[C@H]1c1ccc(F)cc1F 95969648 SMDQSZSACMSELK-RYUDHWBXSA-N 309.312 2.582 0 40 DFAB CSCC[C@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 75091966 AXBAPJOCECFRAK-JTQLQIEISA-N 304.419 2.652 0 40 DFAB COc1ccc(CN(C)C(=O)[C@@H](C)C2CCOCC2)c(OC)c1 89894366 YNXJTLYHQLKEFQ-ZDUSSCGKSA-N 321.417 2.725 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccccn2)on1 43181408 DCPRODHQXSRRFC-GXTWGEPZSA-N 300.362 2.986 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 74931917 LXJIAUVJMPXOSY-UHFFFAOYSA-N 323.345 2.706 0 40 DFAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 72385755 GKVGJXMVPZUNGW-LBPRGKRZSA-N 302.378 2.849 0 40 DFAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OC)c1)CC(=O)N2 61720443 XUXPVJJCSUHROC-SECBINFHSA-N 319.386 2.676 0 40 DFAB CCc1ccc([C@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218602297 BCRHMPAUVDFHRX-BZSNNMDCSA-N 315.438 2.764 0 40 DFAB CC(C)OC(=O)c1cc(N)c(Sc2ncn[nH]2)c(Cl)c1 70462544 ZAGXXBXEQQOFAI-UHFFFAOYSA-N 312.782 2.757 0 40 DFAB C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)c1ccccn1 184658507 SNHXXBCZGZYAMI-LBPRGKRZSA-N 322.372 2.760 0 40 DFAB CCCN(C[C@@H]1CCCCO1)C(=O)N[C@H](C)c1cn(C)nc1C 78611373 VZFDHGAKBJVZDE-HIFRSBDPSA-N 322.453 2.780 0 40 DFAB Cc1ncc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)s1 79027735 WCZOPMCKXLGWOR-HNNXBMFYSA-N 319.405 2.828 0 40 DFAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OC)cc2)cc1 224583861 SNOILUPWWSCUNF-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB Cn1c(Cl)nc2ccc(C(=O)NCc3ccccn3)cc21 222541343 LGCCDXUSJJYOMV-UHFFFAOYSA-N 300.749 2.552 0 40 DFAB Cn1cccc1CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)OC(C)(C)C)C1 195562153 XCRIFBUSTZOOPS-NUEKZKHPSA-N 319.449 2.760 0 40 DFAB COCC(=O)NCCSCc1c(Cl)cccc1Cl 224301637 FQUJXCFTWPZIOF-UHFFFAOYSA-N 308.230 2.989 0 40 DFAB CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 95448218 LRJFGOPMOVSMGR-UHFFFAOYSA-N 304.415 2.871 0 40 DFAB CC[C@@H](C)NC(=O)c1ccc(NCc2nccn2C)c(C)c1 95411975 PGSACDPCCOBUBT-CYBMUJFWSA-N 300.406 2.869 0 40 DFAB Cc1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)on1 96432002 WSNBOAGQKNQGEK-UHFFFAOYSA-N 304.321 2.558 0 40 DFAB O=C(Nc1cccc(Br)c1)c1cc2n(n1)CCCO2 90583634 RKCBUZRWGVHJMD-UHFFFAOYSA-N 322.162 2.680 0 40 DFAB OC1(CNCc2ccc(SC(F)F)cc2)CCOCC1 96500752 LRRSGSQHFLCMSF-UHFFFAOYSA-N 303.374 2.632 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)c2cc(C3CC3)on2)cc1 96103150 HABKZPUGTSGGAU-CQSZACIVSA-N 318.398 2.737 0 40 DFAB Cc1ccc(-c2n[nH]cc2CN2CCS[C@H]3COCC[C@@H]32)o1 91855780 IWHYDJZQOGBHTM-ZFWWWQNUSA-N 319.430 2.684 0 40 DFAB C[C@@]1(CNC(=O)N[C@H]2CCc3c(O)cccc32)CCCS1 96467216 KVNMDXOLRIBPMD-BBRMVZONSA-N 306.431 2.964 0 40 DFAB CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C[C@@](C)(O)c1ccccc1 248424345 ZUBXBCDBOKBNRZ-ZYSHUDEJSA-N 319.445 2.852 0 40 DFAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccn3C)C2)ccn1 257285568 PHUJLIZLCYNHKV-OAHLLOKOSA-N 312.417 2.506 0 40 DFAB Cn1ccnc1-c1nccnc1[C@H]1CCCN1Cc1cccnc1 257203190 AOZXDWPCLSMCAO-OAHLLOKOSA-N 320.400 2.609 0 40 DFAB Cc1ccc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)cn1 585269211 LTBUMQTYPJLUBL-SFHVURJKSA-N 316.376 2.545 0 40 DFAB CCN1CCC2(CCN(C(=O)c3ccsc3)CC2)CC1=O 585102572 YWCYPUKEROAGBK-UHFFFAOYSA-N 306.431 2.613 0 40 DFAB C1CCC(N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)C1 585105298 SNSWBGVHTGZJDK-INIZCTEOSA-N 311.491 2.932 0 40 DFAB CCOc1nc2c(I)cccc2cc1N 685937717 XUONOJWJPFOFBU-UHFFFAOYSA-N 314.126 2.820 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(-n3cncn3)cc2)c1 69489303 ZFLXAFIZANLJSK-LSDHHAIUSA-N 310.405 2.512 0 40 DFAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2c(C)noc2C)C1 69619985 CVPWOAPKOAXASA-CQSZACIVSA-N 307.438 2.922 0 40 DFAB CC(C)(C)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1 70639067 CQYUKWXPJBZQEW-UHFFFAOYSA-N 306.406 2.647 0 40 DFAB CC(C)(C)C1CCC(CN2C[C@@H](O)[C@H](N3CCCC3)C2)CC1 72308559 FHBWMANKXRPRIO-OPQOLIRYSA-N 308.510 2.980 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)c(F)c1)C(=O)O 44296344 WJPDYAGKWUKNAA-NSHDSACASA-N 317.744 3.000 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1cccnc1)c1cccs1 48310029 ZOLMPKGZYDJERJ-BXUZGUMPSA-N 317.414 2.588 0 40 DFAB CCc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)sc1C 60241940 OXXJQIWQAHSUOM-AWEZNQCLSA-N 314.410 2.676 0 40 DFAB CN(Cc1ccc(Cl)c(F)c1)CC(C)(C)S(C)(=O)=O 93772780 RBQOVQYQDQENAO-UHFFFAOYSA-N 307.818 2.734 0 40 DFAB CCC(=O)N1CC[C@H]2CC(=O)Nc3ccccc3OCC[C@H]2C1 1534646408 JVVFBRPBIFWWCQ-KBPBESRZSA-N 316.401 2.672 0 40 DFAB COc1ccc(C)cc1NC(=O)C(=O)NC1CCCCCC1 5250875 BXDNCIONZYUWBF-UHFFFAOYSA-N 304.390 2.781 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2ccc(C(=O)O)cc2)cc1 13166202 AWQRRJNJDNJOPO-IZZDOVSWSA-N 311.337 2.723 0 40 DFAB COc1ccc([C@@H]2CCCN2Cc2ccnn2C)cc1OC 19658552 VFZUEIFPTQQVFQ-HNNXBMFYSA-N 301.390 2.774 0 40 DFAB C[C@](O)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)C1CC1 206711444 RPKPHXRWQKYERN-HNNXBMFYSA-N 315.335 2.915 0 40 DFAB O[C@H]1CCN(Cc2cscn2)CC[C@@H]1Oc1ccccc1F 643913757 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313.401 2.572 0 40 DFAB O=C(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)C1CCCC1 95998178 GTHXYMBRYOQTCP-HNNXBMFYSA-N 310.401 2.566 0 40 DFAB CC(=O)N1CCC(C(=O)Nc2ccccn2)(c2ccccc2)CC1 95947477 TXMYOMUHQRDQLW-UHFFFAOYSA-N 323.396 2.600 0 40 DFAB Cc1cc(C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1F 89587720 SFNMVHUDCONHQK-NSHDSACASA-N 318.314 2.843 0 40 DFAB Cc1cn2c(n1)[C@@H](CNCc1c[nH]nc1C(C)(C)C)CCC2 89702111 NBFRSCXWKORROM-CYBMUJFWSA-N 301.438 2.879 0 40 DFAB CC(C)c1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)no1 89893349 CDQUDUGAOPYAQH-ZDUSSCGKSA-N 316.361 2.878 0 40 DFAB Cc1cccc(C)c1NC(=O)c1ccc(NS(C)(=O)=O)cc1 78551819 MXSAVPKVHJVHBL-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB CCN(C(=O)COC(=O)c1ccc(C)nc1)c1cccc(C)c1 72330200 IYTAZVJZUFFHCL-UHFFFAOYSA-N 312.369 2.908 0 40 DFAB Cc1nn(C)c(Cl)c1CNCCCCNc1ccccn1 78847160 SKMUQQLJNRYJHV-UHFFFAOYSA-N 307.829 2.759 0 40 DFAB Cc1cc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)ccc1F 238838573 HHTKAFYQNKEKIN-OIISXLGYSA-N 321.392 2.519 0 40 DFAB CCOc1ncc(C(=O)NCc2scnc2C)cc1Cl 78996436 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517245275 VJGHHMFVNJEBHN-ZDUSSCGKSA-N 317.389 2.983 0 40 DFAB COc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10900177 IENDIVNMIJPYIN-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888842650 JJNZDEINNJALGZ-LBPRGKRZSA-N 321.808 2.856 0 40 DFAB C[C@H]1OCC[C@H]1C(=O)N1CCc2cc(Br)ccc2C1 225387916 MRCVCNJJYOBMPD-QMTHXVAHSA-N 324.218 2.759 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)c1c(Br)cnn1C 2752525 FJOCOFULSNSOSQ-IUCAKERBSA-N 300.200 2.586 0 40 DFAB CN(C)c1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 12419334 OVMIDNZSYOTXGK-UHFFFAOYSA-N 318.354 2.833 0 40 DFAB Cc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1C 20488873 UXIRUQBZUAVBHW-UHFFFAOYSA-N 324.355 2.803 0 40 DFAB CCc1nccn1CC1CN(c2ncccc2Br)C1 2086860430 SRYMLOKSWHYSIK-UHFFFAOYSA-N 321.222 2.739 0 40 DFAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2nc(C(C)C)no2)C1 51052100 ZKGDZIUVHNTFFP-KGLIPLIRSA-N 322.453 2.710 0 40 DFAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(C(F)(F)F)cc1 32809066 MQAZNUNWQNRTGZ-VIFPVBQESA-N 310.275 2.885 0 40 DFAB Cc1ccccc1OCCN(C)S(=O)(=O)c1cccc(F)c1 32814214 DLUVLJZVJICGFT-UHFFFAOYSA-N 323.389 2.834 0 40 DFAB Cc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1 22028125 XFDHXKNPMYLMJH-UHFFFAOYSA-N 308.425 2.973 0 40 DFAB C[C@@H](OC(=O)Cc1ccsc1)C(=O)N1CCc2ccccc21 22046536 QGMRDKRGPZQNAP-GFCCVEGCSA-N 315.394 2.812 0 40 DFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1 22260386 UEFWWIHPHIYPEY-HNNXBMFYSA-N 315.348 2.614 0 40 DFAB O=C(CSc1nncn1CCc1cccs1)c1ccc[nH]1 9051274 SXEIIKFTECWSES-UHFFFAOYSA-N 318.427 2.885 0 40 DFAB CCc1nc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)cs1 47776728 VZXZNNCIQBCLHM-HUUCEWRRSA-N 310.463 2.866 0 40 DFAB O=C(Nc1nccs1)c1cccnc1OCC(F)(F)F 24487805 SHHUVQCAQFJIGT-UHFFFAOYSA-N 303.265 2.732 0 40 DFAB CC1(C)CC(NC(=O)[C@@]23CC[C@@H](C2)C(C)(C)C3=O)CC(C)(C)N1 7010008 WSBDKDSEHNRTGS-BUXKBTBVSA-N 320.477 2.807 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2cccc2)cc1 24727160 WVDLTUUJFZBGFG-MRXNPFEDSA-N 314.385 2.795 0 40 DFAB O=S(=O)(c1c(F)cccc1F)N1CCc2ccccc2C1 7307914 IYZODQSXULCOGT-UHFFFAOYSA-N 309.337 2.712 0 40 DFAB O=C(O[C@H]1CCS(=O)(=O)c2sccc21)c1cccs1 1393996 IQZCIDVDBQQUDN-VIFPVBQESA-N 314.409 2.885 0 40 DFAB Cc1cc(SCC(N)=O)nc(SCc2ccccc2)n1 1407534 MQHHHCFSTQJLFV-UHFFFAOYSA-N 305.428 2.655 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@@H]2CCC[C@@H]21 56197097 OSTSYVRVZITTDD-NWDGAFQWSA-N 314.307 2.802 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 95399683 QBVYONVHTTYAME-HZPDHXFCSA-N 306.450 2.816 0 40 DFAB CC1CCC(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)CC1 50052578 NUKLFKZXYBXIJX-ZBCRRDGASA-N 320.433 2.863 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCC1CCCC1 58174352 PBSOJOCFOILHNA-QGZVFWFLSA-N 314.429 2.656 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)cc1C(N)=O 58167410 MAFAEYAUBGMJAQ-GWCFXTLKSA-N 323.824 2.546 0 40 DFAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccsc1 44953207 JBMUBYXNPZKWIJ-UHFFFAOYSA-N 302.355 2.953 0 40 DFAB Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCc2ccccn2)cn1 107124921 HICUTCXPQKBTTH-BPQIPLTHSA-N 323.396 2.605 0 40 DFAB COc1ccccc1-c1nc(C(=O)Nc2cn[nH]c2)cs1 58327143 YZDIQTIBKIYGAJ-UHFFFAOYSA-N 300.343 2.794 0 40 DFAB CC(C)S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1 58441378 FLMIEAPXZPTCIB-UHFFFAOYSA-N 306.387 2.702 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c1 3470778 AASLIVCWDOSCCP-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB COC(=O)C1=C(C)Nc2nc(C)nn2[C@H]1c1ccc(Cl)cc1 28296254 UBQYDHCSKCQTPR-ZDUSSCGKSA-N 318.764 2.702 0 40 DFAB COc1ccc(OC)c(Cn2cc(Br)ccc2=O)c1 12813642 NIPGCTGQRPIRQT-UHFFFAOYSA-N 324.174 2.676 0 40 DFAB O[C@@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)Cn1cnc2ccccc21 101244487 CIJJBJLKHGUXOZ-LVQVYYBASA-N 300.402 2.850 0 40 DFAB Cc1cc(C)nc(N2CCC(c3nnc4ccccn34)CC2)n1 29427524 YVVSZJGNQVQWAO-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(O)cc1O 2623039 GVHISAHSMODEHI-UHFFFAOYSA-N 318.310 2.716 0 40 DFAB CC(C)CCOc1cccc(NC(=O)NCc2nncn2C)c1 64547504 NRZAXUPWJQTSGM-UHFFFAOYSA-N 317.393 2.562 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2cc(C(C)(C)C)nn2C)c1 9156136 NWIIFRCQXSWPNU-UHFFFAOYSA-N 317.389 2.987 0 40 DFAB O=C(Nc1ccccc1O)[C@H]1CCCN1C(=O)Cc1ccccc1 63091170 RCQWKONKELPETM-MRXNPFEDSA-N 324.380 2.564 0 40 DFAB CC(C)CC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96001092 NEPWKEXVNILPAA-AWEZNQCLSA-N 315.373 2.683 0 40 DFAB NC(=O)CC1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 49393115 IAFNJPLFQDUNCT-DUXPYHPUSA-N 324.783 2.606 0 40 DFAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccco1)c1nc2ccccc2c(=O)[nH]1 64584713 BVZCMKHOIHLCTE-WCFLWFBJSA-N 324.336 2.924 0 40 DFAB Cc1cc(=O)oc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2 4326357 MGPFQGKEMQOCDJ-UHFFFAOYSA-N 301.386 2.955 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(C2CC2)s1 6322594 XGKAHBFMGKVRRU-QHHAFSJGSA-N 315.354 2.796 0 40 DFAB C[C@@H](NC(=O)NCc1cccs1)c1ccc(NC(N)=O)cc1 65623494 ZZMOAIIZMHASDC-SNVBAGLBSA-N 318.402 2.799 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 5478159 DKZWGWFIHJSOAQ-BJSLICBWSA-N 303.377 2.993 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@@H](C)c3cc4ccccc4o3)nn12 9449373 FTBTZLCYKOHBGG-NSHDSACASA-N 321.340 2.670 0 40 DFAB COC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 5745415 PIKYXOKMCBEZIO-UHFFFAOYSA-N 316.309 2.710 0 40 DFAB Cc1nc(NC(=O)COC(=O)C(C)C)c(Cl)cc1Cl 5712469 KCSDWAVHLYKTKG-UHFFFAOYSA-N 305.161 2.835 0 40 DFAB CNC(=O)c1ccccc1NCC(=O)Nc1ccccc1Cl 15362414 ZJJRQZQAUICBCZ-UHFFFAOYSA-N 317.776 2.750 0 40 DFAB O=C(CC(c1ccccc1)c1ccccc1)NN1CCOCC1 5946579 QBLXFTQJQPYMNU-UHFFFAOYSA-N 310.397 2.572 0 40 DFAB Cn1cc(CCC(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)cn1 96432716 QHWGBAHJAXMQIY-QGZVFWFLSA-N 319.355 2.898 0 40 DFAB CC[C@H](OC(=O)c1ccn(C)c(=O)c1)c1ccc(OC)cc1 68041504 GSCADGCKAKWSMB-HNNXBMFYSA-N 301.342 2.702 0 40 DFAB COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 83884486 BZMBGQLXJFWBCU-ZFWWWQNUSA-N 300.358 2.630 0 40 DFAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCn1cncn1 69490557 OKBKOUAOVRIESD-OAHLLOKOSA-N 322.412 2.959 0 40 DFAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NC2CC2)CC1=O 17121076 FASOHULWIZKRPZ-CHWSQXEVSA-N 300.402 2.832 0 40 DFAB Cn1cc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 95994169 ICFRXDPSUVVSNC-GFCCVEGCSA-N 308.788 2.581 0 40 DFAB COC(=O)N1CCCN(C(=O)Nc2ccc(C)c(C)c2)CC1 69557839 XBPBEHXEOTXKFP-UHFFFAOYSA-N 305.378 2.609 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](n2ccnc2)C1 69660239 OJDFLDHEUCKRMG-ZDUSSCGKSA-N 302.378 2.780 0 40 DFAB COc1ccc(F)cc1[C@H](C)NC[C@@H]1CNc2cc(C)nn2C1 69847929 BFHJMSMSTGYBNI-QWHCGFSZSA-N 318.396 2.732 0 40 DFAB CN(C)C1(CN[C@H]2CCCc3cc(F)ccc32)CCOCC1 97033347 QSZYZEYHJSECAM-KRWDZBQOSA-N 306.425 2.904 0 40 DFAB CC(C)CS(=O)(=O)N1CCC(N[C@H](C)c2ccccc2)CC1 97039054 PATFYZMBGAAHEX-OAHLLOKOSA-N 324.490 2.787 0 40 DFAB CCc1cc(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)ccc1C 97161814 LZIUOXZWYZSBDF-CJNGLKHVSA-N 306.406 2.561 0 40 DFAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1 72311287 LRCMUORFXZNMNH-MRXNPFEDSA-N 312.369 2.983 0 40 DFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 74931945 IDALXYSAPOKQLW-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB CC(C)n1ccnc1CN1CCC[C@@H](CNC(=O)C2CCC2)C1 67789331 BRZRWZLCRQRGGZ-HNNXBMFYSA-N 318.465 2.592 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1nnc(C2CC2)o1 75605245 GNJJRRILAVPUFP-LLVKDONJSA-N 321.812 2.979 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cnn(C)c1 27919525 QOYCZWWMDYIIFQ-SECBINFHSA-N 308.769 2.965 0 40 DFAB Cn1ccnc1SCc1ccc(C(=O)Nc2cccnc2)o1 28027296 MUXADCNPWXBGIU-UHFFFAOYSA-N 314.370 2.953 0 40 DFAB O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1 28210772 JBAYMATUFJNEGD-UHFFFAOYSA-N 316.351 2.923 0 40 DFAB COc1ccc([C@@H]2Nn3c(nnc3-c3cccnc3)S2)cc1 3843129 QWEYSLKCVPGYSE-CQSZACIVSA-N 311.370 2.697 0 40 DFAB biogenic COc1cccnc1N1CCC(Oc2ncccc2F)CC1 527989027 WBBGABVEQXOZHU-UHFFFAOYSA-N 303.337 2.672 0 40 DFAB Cc1csc(CN2CCOC[C@H]2CC(=O)c2cccs2)n1 189219106 HXHNCWCNAZUKRE-GFCCVEGCSA-N 322.455 2.987 0 40 DFAB COc1cc2c(=O)ncn(Cc3cc(F)cc(F)c3)c2cc1F 188255078 AYFQWKLGDQGLCF-UHFFFAOYSA-N 320.270 2.871 0 40 DFAB C[C@@H](O)CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 187801236 QHBSODROSAMBMQ-MRVPVSSYSA-N 321.726 2.887 0 40 DFAB Cc1nccnc1OC[C@@H]1CCCCN1C(=O)OC(C)(C)C 72202861 PIJNZIIVTMJJIQ-ZDUSSCGKSA-N 307.394 2.953 0 40 DFAB CCN1CCN(c2ccc(C(=O)c3ccccc3)c(C)n2)CC1 72224671 VXPGRRKFOBRWOI-UHFFFAOYSA-N 309.413 2.763 0 40 DFAB CC1(C)[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@H]1C(=O)O 71287014 UYAQTIYVNLOTHE-ZJUUUORDSA-N 323.418 2.881 0 40 DFAB CCOCCC(=O)NCc1cc(Br)ccc1C 188576176 AKJBCRCOFXNWJO-UHFFFAOYSA-N 300.196 2.800 0 40 DFAB O=C(O)c1cccc(OCCN2CC[C@@H](c3cccnc3)C2)c1 569011303 YUNGVFZYTDCABA-MRXNPFEDSA-N 312.369 2.648 0 40 DFAB C[C@H]1CN(C(=O)CCc2cnn(C)c2)c2cc(Cl)ccc2O1 81336356 URMMKCKYHIJCQE-NSHDSACASA-N 319.792 2.820 0 40 DFAB O=[S@](CCCc1nc(-c2ccccc2)no1)C1CCOCC1 191199266 CYVJIWWGWXRQLW-JOCHJYFZSA-N 320.414 2.597 0 40 DFAB N[C@@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2ccsc2)C1 333806079 IMXWCZQZKAORPG-JKSUJKDBSA-N 322.474 2.946 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccccc3)ccc21 148445854 FEYJNYQDJLDELG-DHZHZOJOSA-N 307.353 2.529 0 40 DFAB CC[C@@](Br)([C@H](O)c1cccc(C)c1)S(C)(=O)=O 96521565 SPNLZVAQRMJTGN-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB O=C(OCc1ccc2[nH]nnc2c1)[C@@H]1C[C@H]1c1ccccc1F 95948576 IEYHCONIGPEFPG-QWHCGFSZSA-N 311.316 2.944 0 40 DFAB C[C@@H]1CCO[C@H]1C(=O)N(c1cccc(F)c1)C1CCOCC1 96494766 LROMRUIGQBPWRX-MLGOLLRUSA-N 307.365 2.763 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)[C@@H]1CCOC1 96494718 LYLRSOQZQUDSBH-YWPYICTPSA-N 322.380 2.764 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)Nc2cccc(Cl)c2)n1 96120975 QFEHTOKCXJULLN-UHFFFAOYSA-N 319.796 2.826 0 40 DFAB COCCC(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 96411038 BBOSKHZYWWKEQS-GFCCVEGCSA-N 305.296 2.546 0 40 DFAB CCOC(=O)N1CCC(N[C@@H](C)[C@H]2COc3ccccc32)CC1 96494328 XATQDFBIJBEMSH-XJKSGUPXSA-N 318.417 2.762 0 40 DFAB c1ccc(N[C@@H]2CN(Cc3ccco3)C[C@@H]3CCCO[C@@H]32)nc1 96040682 HIZNETZVELXWCZ-LESCRADOSA-N 313.401 2.766 0 40 DFAB COc1ccccc1CN1CC2(C[C@H](OCC3CC3)CCO2)C1 248149527 VDXZBHIMKHANHR-QGZVFWFLSA-N 317.429 2.855 0 40 DFAB COc1ccccc1[C@@H]1CN(Cc2nccs2)CCN1C 257271596 MYZBESMBCKSHRU-AWEZNQCLSA-N 303.431 2.640 0 40 DFAB CNc1ncccc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257306553 SUSUTVWRZOUSQS-CQSZACIVSA-N 322.416 2.774 0 40 DFAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccoc1 253471084 AZCDRMFCBQSEHY-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB CCc1cc(N)nc(S[C@@H](C(=O)OC)c2ccsc2)n1 252510881 ZQLYNVGWGCBMMP-LLVKDONJSA-N 309.416 2.689 0 40 DFAB CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 253389184 ORHJDSIVSXDPLJ-GHJWDPDVSA-N 306.381 2.650 0 40 DFAB Cc1ccc(-n2cc(NC(=O)N(C)[C@H]3CCOC3)cn2)c(C)c1 276343268 GHMMTXJRUNIXSR-HNNXBMFYSA-N 314.389 2.742 0 40 DFAB Nc1c(I)ccc(Br)c1F 575722394 JUCMXXLOVVAXAB-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB CCc1nnc(O)c(-c2nc(-c3ccnn3C)cs2)c1CC 585090720 ZDAAAFIJFOVETE-UHFFFAOYSA-N 315.402 2.831 0 40 DFAB CCO[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccccc1 69707610 BXROTFOUNUAWKO-SJORKVTESA-N 313.401 2.824 0 40 DFAB Cc1cc(OCC2CCN(C(=O)c3ccccn3)CC2)ccn1 1775995168 GELSMDBPQHGTQV-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB O=C(O)[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 62118976 HEUVQYROAFPTTN-ZCFIWIBFSA-N 306.120 2.679 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1F 56018267 AFMXGEPYDFTPPF-CVEARBPZSA-N 320.364 2.568 0 40 DFAB c1ccc(CN2CCN(c3cnnc4ccccc34)CC2)cc1 41123486 CBHFUCLPAIFFSR-UHFFFAOYSA-N 304.397 2.952 0 40 DFAB CC[C@@H](C)C(=O)N[C@@H](C)CCN1CCN(c2ccccc2)CC1 41617287 OERGEODDOUMPBO-SJORKVTESA-N 317.477 2.750 0 40 DFAB CC(C)c1cc(C(=O)N2CCN(C)C[C@@H]2C)nn1C(C)(C)C 89938385 LHVVSPZFEXCUQS-ZDUSSCGKSA-N 306.454 2.538 0 40 DFAB COc1cccc([C@H](O)CN[C@H](C)c2cnn(C(C)C)c2)c1 95422283 MCSNHCULQDWJOL-CXAGYDPISA-N 303.406 2.857 0 40 DFAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)nn1 585234341 JCDZKISEPTWPGX-OAHLLOKOSA-N 310.401 2.949 0 40 DFAB Cc1c(Br)cccc1CN1C(=O)[C@H](C)[C@@H](C)C1=O 90192269 GXTIIWMYCAPSKK-RKDXNWHRSA-N 310.191 2.899 0 40 DFAB CCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2 19503812 WUZYBXWZXBNJNZ-UHFFFAOYSA-N 301.390 2.901 0 40 DFAB C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC1CCC2(CC1)OCCO2 156419086 CMQIGMVPOHUZKG-SUMWQHHRSA-N 323.408 2.913 0 40 DFAB O=C(CCC1CCCC1)N1CCC[C@@H](Oc2cnccn2)C1 225469353 ORTGDACWUOSBME-OAHLLOKOSA-N 303.406 2.817 0 40 DFAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)Nc1cccs1 85559569 CQSAZBODTCSYOT-GFCCVEGCSA-N 304.371 2.538 0 40 DFAB Cc1nnc([C@@H](C)S(=O)(=O)Cc2csc(C(C)C)n2)o1 50037663 QUHRMJQPURKRJC-MRVPVSSYSA-N 315.420 2.634 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 81245 WIRHXNQGAUTBNF-UHFFFAOYSA-N 305.355 2.567 0 40 DFAB CCc1nn2c(=O)cc(CN(C)CC3CCCCC3)nc2s1 40497113 AIZYZDILWPCNRT-UHFFFAOYSA-N 320.462 2.726 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2ccccc21 218784 OEWLZWFEALWBOX-STQMWFEESA-N 318.442 2.820 0 40 DFAB Nc1ncccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40817618 LKXZEHHHSRMXFY-LBPRGKRZSA-N 321.384 2.560 0 40 DFAB O=C1NCCCC[C@@H]1Sc1nnc2sc3ccccc3n12 32871690 MCUODQGUGQDGNZ-NSHDSACASA-N 318.427 2.705 0 40 DFAB O=C1O[C@@H](C(=O)N[C@@H]2CCc3ccccc32)Cc2ccccc21 32843563 TVYGVTDXBHBARU-IAGOWNOFSA-N 307.349 2.572 0 40 DFAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)n2ccnc2)cc1OC 52693110 OOIFQZPLORWMMW-OLZOCXBDSA-N 317.389 2.729 0 40 DFAB CCN1CCC[C@H]1CNC[C@@H](O)COc1ccccc1C(C)C 22029840 HAHPTMDDSGHXQD-DLBZAZTESA-N 320.477 2.624 0 40 DFAB COc1ccc(Cn2cnc3c([nH]c4ccccc43)c2=O)cc1 525700 UKCHEPHAVVNOAF-UHFFFAOYSA-N 305.337 2.935 0 40 DFAB biogenic Cc1ccc(-c2cc(C(=O)N3CCO[C@H]4CCC[C@@H]43)[nH]n2)cc1 53384554 SXUWQHMOIBPTJU-IRXDYDNUSA-N 311.385 2.779 0 40 DFAB COc1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 42720 SXKKFVMAPJYDGF-UHFFFAOYSA-N 300.383 2.751 0 40 DFAB CCC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 81395 MLCBXHPYUPQKGU-GFCCVEGCSA-N 304.243 2.689 0 40 DFAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCC2 61583034 OEOWFXNHLPWDIX-JTQLQIEISA-N 318.364 2.603 0 40 DFAB c1csc(C(Nc2ccc3nnnn3n2)c2cccs2)c1 77985042 QWIQYZVLZQMXFY-UHFFFAOYSA-N 314.399 2.844 0 40 DFAB Cc1cc(C(=O)N2CCc3ccc(Br)cc32)on1 78667987 FDUWLSBCQHPFOH-UHFFFAOYSA-N 307.147 2.948 0 40 DFAB O=C(Cc1cc(F)ccc1F)N[C@H]1CCCCC[C@H]1C(=O)O 97018361 HFCFUVMMBUAYDK-OCCSQVGLSA-N 311.328 2.657 0 40 DFAB CN(C)c1cccc(C(=O)Nc2ccc(-n3ccnc3)nc2)c1 24901257 XXBVHVIPZWCMIF-UHFFFAOYSA-N 307.357 2.586 0 40 DFAB COc1cc(S(=O)(=O)NCCSC(C)(C)C)ccc1F 8049135 CTGAJUXMSPYVQS-UHFFFAOYSA-N 321.439 2.644 0 40 DFAB CC(C)OC(=O)CCNC(=O)Nc1cccc2ncccc12 43431475 AFRBEDLLHOPEGZ-UHFFFAOYSA-N 301.346 2.698 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc2c(c1)CCC2 53698300 FOYWFRFRJHGCLG-SNVBAGLBSA-N 320.414 2.820 0 40 DFAB O=C(NCCCn1cccn1)c1[nH]c2ccccc2c1Cl 56873489 ATMPTJMRFZOTLX-UHFFFAOYSA-N 302.765 2.838 0 40 DFAB CC[C@H](NC(=O)CNC(=O)c1ccccc1C)c1ccccc1 72274653 SLIQZUZEMNOAAN-KRWDZBQOSA-N 310.397 2.992 0 40 DFAB O=C(c1cnn2cccnc12)N1CCC(c2ccccc2)CC1 44229826 KSBOJIDZCNQTOD-UHFFFAOYSA-N 306.369 2.749 0 40 DFAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccon3)o2)cc1 10188795 AWVXTOVDANSLIX-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB CCC1(CC)CC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O 58251638 SWHJBVNCPXCPJO-ZDUSSCGKSA-N 311.328 2.564 0 40 DFAB O=C(c1ccn(-c2cccc(F)c2)n1)N1CCc2cnccc21 118638879 ZACIERBNILEHGX-UHFFFAOYSA-N 308.316 2.609 0 40 DFAB COCC(=O)N(C)Cc1ccc(OCc2cccs2)cc1 58355908 JTNRQGSIZRCTFM-UHFFFAOYSA-N 305.399 2.932 0 40 DFAB CCN1C(=O)C2(CCCCC2)N[C@H]1C1=Cc2ccccc2OC1 84779866 PQMBVYCYAQPPCG-QGZVFWFLSA-N 312.413 2.943 0 40 DFAB Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccccc12 48343464 WHKUTKDZCRGWQC-UHFFFAOYSA-N 324.384 2.989 0 40 DFAB C=Cn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 10119653 AQYGJIDTRWDPTN-UHFFFAOYSA-N 315.720 2.939 0 40 DFAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 20730767 FQRKBLJXWUWWHH-JTQLQIEISA-N 319.361 2.582 0 40 DFAB O=C(CCNC(=O)c1cccs1)Nc1ccc(F)cc1F 12975170 XJGBIDFQEJIXSW-UHFFFAOYSA-N 310.325 2.785 0 40 DFAB Cn1c(Cl)cnc1CSc1nnc(-c2ccncc2)n1C 12904684 YBIMWXZGDPRGHS-UHFFFAOYSA-N 320.809 2.556 0 40 DFAB COc1ccc(CNC(=O)c2ccc(C)cc2C)cc1C(=O)O 13392964 YHZUXVOVMWSFBB-UHFFFAOYSA-N 313.353 2.940 0 40 DFAB O=C(COC(=O)c1nccc2ccccc12)NC1CCCCC1 64875396 ODTLBDCMTACQBI-UHFFFAOYSA-N 312.369 2.841 0 40 DFAB CO[C@@H](C(=O)N[C@@H](c1nc(C)no1)C(C)C)c1ccccc1 96003834 RAGUDBOGWAREOK-ZIAGYGMSSA-N 303.362 2.579 0 40 DFAB Cc1nc(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cs1 65467548 DWONBUNJMHLFCS-HNNXBMFYSA-N 320.389 2.733 0 40 DFAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(-n2cncn2)cc1 6541055 ZFJOMTXDMIGYFX-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 6654160 YEFFJTQTKKOTCP-LLVKDONJSA-N 300.383 2.905 0 40 DFAB Cc1nn(-c2ccc(NC(=O)[C@H]3CCCO3)cn2)c(C)c1Cl 72403609 XSSLWHDMOOBEPC-GFCCVEGCSA-N 320.780 2.655 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2ccc(C)s2)CC1 68487960 ZVSXLHMQFVAGKE-UHFFFAOYSA-N 304.419 2.688 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(C)c(OCC(F)F)c1 71862734 KZZNMGGYYHWFNO-JTQLQIEISA-N 302.321 2.795 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCCCN1C[C@H](O)c1cccc(F)c1 71897259 BPANTVGQWHKQLV-CVEARBPZSA-N 322.424 2.628 0 40 DFAB CCC(C)(C)NC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O 69530963 UGSPNONFIITVPF-UHFFFAOYSA-N 319.430 2.585 0 40 DFAB CC(=O)NC(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 69508492 BEFFBNRVGXMSOW-UHFFFAOYSA-N 321.377 2.802 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 118930985 ACXNWFRSEGWJGF-MLQQIXETSA-N 306.446 2.930 0 40 DFAB Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1 69615147 WQXDOOBDJYXLRX-UHFFFAOYSA-N 313.430 2.913 0 40 DFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCc2c(ncn2C)C1 69632764 DLFXZOLRYCYXCS-JTQLQIEISA-N 315.402 2.651 0 40 DFAB c1ccc2oc(CCCN3CCC[C@H]3Cn3cncn3)nc2c1 69665184 GQLGZRRRUXXHAC-AWEZNQCLSA-N 311.389 2.517 0 40 DFAB CNC(=O)c1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)cc1 92415494 DIZRUTLBGWEEOX-UHFFFAOYSA-N 321.384 2.752 0 40 DFAB c1ccc2sc([C@@H]3CCCN3CCN3CCOCC3)nc2c1 71014731 MRDBJFCRIIWKQG-HNNXBMFYSA-N 317.458 2.765 0 40 DFAB CC(C)n1ncc2ccc(NC(=O)N(C)CC[C@@H](C)O)cc21 95409748 NZBMANBGZOXEOT-GFCCVEGCSA-N 304.394 2.852 0 40 DFAB O=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCCC[C@@H]2O)CC1 95975620 ZBLQRQDTJIKXBF-SJORKVTESA-N 320.408 2.780 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](C)c1ccncc1 95978995 DMEUYELZMILVKD-NEPJUHHUSA-N 300.406 2.835 0 40 DFAB CO[C@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 74569789 CICOAMMFQNRVHI-HNNXBMFYSA-N 315.373 2.662 0 40 DFAB CCc1[nH]nc(NCc2ccccc2N2CCOCC2)c1C 89280088 LDWDQOZJGGRSND-UHFFFAOYSA-N 300.406 2.729 0 40 DFAB C[C@@H](NC(=O)Cn1ccsc1=O)c1ccc2ccccc2c1 75146011 HCSSEXSCLGFSRL-GFCCVEGCSA-N 312.394 2.940 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc2ncccc2c1 89948985 LVIAMYGXFINIEW-APWZRJJASA-N 311.429 2.971 0 40 DFAB CN(C)C1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 129908009 IPHWBHREAUEDSE-QWHCGFSZSA-N 308.388 2.808 0 40 DFAB C[S@@](=O)C1(CNC(=O)NCC2(C3CCC3)CCC2)CCC1 515040283 ZXYFABGQOZLQMF-OAQYLSRUSA-N 312.479 2.557 0 40 DFAB C[C@H]1CCCCN1C(=O)c1cc(F)ccc1N1CCOCC1 518887656 MPFRHCVJKQEBIF-ZDUSSCGKSA-N 306.381 2.677 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2ccc(Br)cc2Cl)C1 37392074 DLIHRDFPJOAPDY-LURJTMIESA-N 318.554 2.540 0 40 DFAB COc1ccc(CCNC(=O)Nc2nnc(SC)s2)cc1 35590190 SEBRLXIYGXKSDF-UHFFFAOYSA-N 324.431 2.633 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72227173 XCYDIISJCCIXMU-CABCVRRESA-N 302.761 2.764 0 40 DFAB CCn1ccc(C(=O)N2CCC(c3cccc(OC)c3)CC2)n1 566562240 HDJXHAQSROTZBA-UHFFFAOYSA-N 313.401 2.931 0 40 DFAB COC(=O)C[C@H](C)NC(=O)Cc1cc(Cl)ccc1Cl 79330407 LRTHSPZIUMXYJN-QMMMGPOBSA-N 304.173 2.604 0 40 DFAB Cc1cc(NC(=O)CCc2nc3ncccc3[nH]2)nn1C(C)C 72404789 MNXQZTPUYHVHNY-UHFFFAOYSA-N 312.377 2.615 0 40 DFAB O=C(NC[C@@H](O)c1cccs1)c1ccc(Br)o1 74558623 OBBKRBYSNYVMMU-SSDOTTSWSA-N 316.176 2.567 0 40 DFAB CCNC(=O)c1snnc1-c1ccc(Br)cc1 225781929 HQNWVCJLUUEQHM-UHFFFAOYSA-N 312.192 2.717 0 40 DFAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225692000 HBOSVABQAMLMOS-INIZCTEOSA-N 309.362 2.684 0 40 DFAB Cc1cc(C)cc([C@H](O)CN2CCC([C@H]3CCNC3)CC2)c1 1579579884 LYUIVTNOFWUJJM-PKOBYXMFSA-N 302.462 2.658 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)s1 40088071 HNPVYZSWHVVERK-LBPRGKRZSA-N 305.334 2.722 0 40 DFAB Nc1nc(CN2CCC[C@@H](c3ccncc3)C2)nc2ccccc12 575603528 QTLHOGBECGNJRT-OAHLLOKOSA-N 319.412 2.987 0 40 DFAB O=C(NCCCOC1CCCCC1)c1ccc2c(c1)OCCO2 45457811 FKCPXBXCXHHMQP-UHFFFAOYSA-N 319.401 2.927 0 40 DFAB Cc1nc(C(=O)N(C)[C@H](C)c2cccs2)ccc1C(=O)O 49725130 SLGNXUOCFBMVIW-SNVBAGLBSA-N 304.371 2.983 0 40 DFAB Cc1cc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@@H]2C)cc(C)c1F 195574532 WRMORAPMXSSEFY-SCRDCRAPSA-N 315.410 2.600 0 40 DFAB CC(=O)Nc1ccccc1/N=c1\oc2ccccc2cc1C(N)=O 98212429 UHZUYRZIHMZFPU-UZYVYHOESA-N 321.336 2.723 0 40 DFAB Cc1nc(C2CC2)ccc1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 579674939 JELHDWLNTXNPJB-HNNXBMFYSA-N 312.373 3.094 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccsc1)C1CC1 96420884 JOJLUNAGTZRCTC-GFCCVEGCSA-N 310.419 2.781 0 40 DFAB C[C@@H](OC(=O)c1ccccc1Cn1cncn1)c1nccs1 96446439 HWBLTCBAHVULMX-LLVKDONJSA-N 314.370 2.701 0 40 DFAB Cc1nc(CN(C)C(=O)Nc2cccc(COC(C)C)c2)no1 96500674 YAVGGXYNGMTFDK-UHFFFAOYSA-N 318.377 2.967 0 40 DFAB Cc1ccc(CN(C)C(=O)Cn2nccc2-c2ccncc2)o1 96455273 JDUAWJSEIGSHIV-UHFFFAOYSA-N 310.357 2.505 0 40 DFAB CC(C)(CNC(=O)c1cc(Cl)c[nH]1)NC(=O)OC(C)(C)C 96443781 XXMPQXAMVVBNAM-UHFFFAOYSA-N 315.801 2.701 0 40 DFAB COCCN1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 96075428 NQEZRGNCZXYPKA-UHFFFAOYSA-N 316.445 2.598 0 40 DFAB COc1cccc(N2CCC[C@H](NC(=O)c3ccoc3)C2)c1 96409266 XCJLDRAWSHXUPL-AWEZNQCLSA-N 300.358 2.687 0 40 DFAB Cc1ccc(O)c(CNC2CCC(N3CCCCC3)CC2)n1 96456858 IUEKIIAGDXNMGS-UHFFFAOYSA-N 303.450 2.982 0 40 DFAB C[C@@H]1CCN(S(=O)(=O)Cc2ccon2)[C@H]1c1cccc(F)c1 247826640 JNCFVGGPXMASSP-IAQYHMDHSA-N 324.377 2.727 0 40 DFAB CNc1cnc(C[C@H]2CCCN(Cc3cc(C)on3)CC2)cn1 257291282 QGIYKTYHXXDGFF-AWEZNQCLSA-N 315.421 2.660 0 40 DFAB CCCN(CCC)c1nn(-c2ccc(C)cc2)nc1C(=O)O 256047774 OQNRIRVKCGPMHH-UHFFFAOYSA-N 302.378 2.900 0 40 DFAB CNc1cc([C@@H]2CCCN2C(=O)Cc2cccs2)nc(C)n1 257208510 BMLSQMQZKKMENU-AWEZNQCLSA-N 316.430 2.794 0 40 DFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccn[nH]2)cc1F 257266384 MCTWILJFDYYHOP-HNNXBMFYSA-N 317.364 2.854 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)cn1 257205109 AXSDCFZUYNEGJJ-AWEZNQCLSA-N 301.415 2.941 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc2nc(C(F)F)[nH]c2c1 532250140 QTSNDPVRVFZYKZ-NSHDSACASA-N 323.299 2.580 0 40 DFAB CC(C)[C@H]1CN(C(=O)c2cc3n(n2)CCC3)c2ccccc2N1 294813382 CDQXHMIXQYEHEQ-MRXNPFEDSA-N 310.401 2.926 0 40 DFAB O=C(NCc1cccs1)N1CCC[C@H](Oc2ccncc2)C1 575605121 MHSWUNAQUGYLJV-AWEZNQCLSA-N 317.414 2.896 0 40 DFAB O=C(CCc1cccc(Cl)c1)N1CC[C@]2(CCCO2)C(=O)C1 585288715 INUBYIRABHQERZ-QGZVFWFLSA-N 321.804 2.623 0 40 DFAB C[C@H](Cc1ccccn1)N(C)C(=O)c1cnc(C(C)(C)C)nc1 12290410 ZABGSKCPHLTKSZ-CYBMUJFWSA-N 312.417 2.872 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1 14303495 YQCIMFWLAGAGPM-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 14404658 ZFWIAQOJCIGHQV-UHFFFAOYSA-N 302.334 2.847 0 40 DFAB O=C1NC(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N1 15012715 OJUBXIFPFFZMQR-DHDCSXOGSA-N 312.300 2.585 0 40 DFAB O=C(CCn1cnnn1)Nc1cccc(-c2cccc(F)c2)c1 19330671 LXJMVVKYLOBNQV-UHFFFAOYSA-N 311.320 2.508 0 40 DFAB O=S(=O)(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCC1 6832029 PWJQSSCRMGDJJZ-UHFFFAOYSA-N 321.377 2.749 0 40 DFAB Cc1cc(F)ccc1NS(=O)(=O)c1cccnc1Cl 22408568 MECUVQYUEITHNW-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB CC1CC(C(=O)N2CCC3(CC[C@@H](C(=O)NC(C)C)C3)CC2)C1 1614931077 SHOUETLYWUSPHO-HWOWSKLDSA-N 320.477 2.966 0 40 DFAB Cc1ccn2cc(CCNC(=O)c3ccc(F)c(F)c3)nc2c1 2960907 GFXZCWNMGRQAPK-UHFFFAOYSA-N 315.323 2.893 0 40 DFAB O=S1(=O)N=C(SCc2ccccn2)Nc2ccc(F)cc21 9708802 REHGMAMFDNDWPM-UHFFFAOYSA-N 323.374 2.624 0 40 DFAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCNC2)on1 19122597 GHFKTRDXHNODIP-CYBMUJFWSA-N 313.405 2.507 0 40 DFAB C[C@@H](c1nc(-c2cccs2)no1)N(C)CC(=O)NC(C)(C)C 40071614 BNOCGJSEYVVMIV-JTQLQIEISA-N 322.434 2.706 0 40 DFAB COc1ccc(CCN(C)C(=O)c2c(C)noc2C)cc1OC 30865021 TYRUWSBKBZVPKQ-UHFFFAOYSA-N 318.373 2.623 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](/C=C/c2ccccc2)NC(=O)N1 202267 IXHONPOIKWETGP-ATWMFIQVSA-N 300.358 2.607 0 40 DFAB aggregator CC(C)=C[C@H]1[C@@H](C(=O)NCCN2CCCCCC2=O)C1(C)C 32309347 SSCDAYPUPRWIBD-HOCLYGCPSA-N 306.450 2.744 0 40 DFAB O=C(CCc1cnn(-c2ccccc2)c1)NCCc1ccccn1 21774935 JZPSZWBCFSBIQZ-UHFFFAOYSA-N 320.396 2.559 0 40 DFAB Cc1nc2cc(NC(=O)c3ccc(CNC(N)=O)cc3)ccc2o1 21705534 XPRRCFFMXFNHGM-UHFFFAOYSA-N 324.340 2.557 0 40 DFAB NC(=O)Nc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1 32914434 YJLVKRLORZKOBW-UHFFFAOYSA-N 321.340 2.615 0 40 DFAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)C(C)C)CC1=O 21871537 LUBWIWCXMOXUON-KGLIPLIRSA-N 318.417 2.599 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cn3)cn2)n1 103014451 VVATXRZWPYIIIK-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 22260483 SHNSGVRHUGHAEL-UHFFFAOYSA-N 312.373 2.542 0 40 DFAB O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)C1CCOCC1 78790643 CURFSWDQMWFRKK-ZDUSSCGKSA-N 318.200 2.570 0 40 DFAB CC(=O)c1cc(Br)ccc1OC(=O)C1=COCC1 78948183 QPWYLXSCNPLTBM-UHFFFAOYSA-N 311.131 2.861 0 40 DFAB Cc1nc(NC(=O)CCCn2ccnc2)ccc1Br 78953855 YCEYQEQFQNKQML-UHFFFAOYSA-N 323.194 2.768 0 40 DFAB O=C(CNCc1ccco1)Nc1cccc(OC(F)(F)F)c1 4969175 RPJNBVPLGQCSJN-UHFFFAOYSA-N 314.263 2.907 0 40 DFAB COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1OC 7056275 JKEQOWYAGOHPGU-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB O=C(CSc1ccccc1)NC[C@H]1COc2ccccc2O1 7169631 YTSVSPUBMZQZOK-ZDUSSCGKSA-N 315.394 2.735 0 40 DFAB COc1cc(OC)cc(C(=O)NCCN(C)c2ccccc2)c1 10113702 ZRYOITIKQYXUSL-UHFFFAOYSA-N 314.385 2.570 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)O)cc2)c1 3272894 CAOOCGCZOMEKHH-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB CCCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cl 8018228 HFSKFSPLKOHEOL-UHFFFAOYSA-N 303.749 2.613 0 40 DFAB Cc1ccc(C(=O)N(C)C[C@H](C)C(=O)O)cc1Br 97018572 SFPIMTANOXOYFB-VIFPVBQESA-N 314.179 2.550 0 40 DFAB CNc1ncc(C(=O)N2CCC[C@@H]2COc2ccccc2)s1 97031923 JXBMGIIKXGKIFR-GFCCVEGCSA-N 317.414 2.868 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCn2c(nnc2-c2ccccc2)C1 107507152 GXNFFPJYIZQVCQ-CWRNSKLLSA-N 322.412 2.724 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)OC1CCCCCC1 107520771 QJDZKGPFIHRRAF-IHRRRGAJSA-N 312.454 2.534 0 40 DFAB C1C[C@@H](c2noc(C3CC3)n2)CN(Cc2noc(C3CC3)n2)C1 72299850 DNUZKBCASHNKBA-GFCCVEGCSA-N 315.377 2.587 0 40 DFAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)C(=O)N1CCC(C)CC1 72299753 VMIYJBPJJQYFTB-GOEBONIOSA-N 318.465 2.517 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@H](c3noc(C)n3)C2)s1 72231681 NUXKTHYNPAMYJI-NSHDSACASA-N 320.418 2.725 0 40 DFAB OCCn1ncc2c1CCC[C@H]2Nc1nc2ccccc2s1 48234249 QEEJTHMQUXLEGB-GFCCVEGCSA-N 314.414 2.975 0 40 DFAB CCc1nc2n(n1)C[C@H](Nc1cccc(F)c1C(C)=O)CC2 108948364 SRNQDBFNDWRUNE-LLVKDONJSA-N 302.353 2.609 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 3325825 JUQXNRIBSPAGKJ-CZUORRHYSA-N 319.401 2.937 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 28195348 XRHJXEHJSJTSRX-BBRMVZONSA-N 318.417 2.827 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)c2nn(C)cc2Cl)cc1 28243593 YJAKTMUIUVPRFO-UHFFFAOYSA-N 315.764 2.820 0 40 DFAB CCCCOC(=O)c1ccc(-n2nc3ccc(N)cc3n2)cc1 57353836 OSHJBWNSOLARIX-UHFFFAOYSA-N 310.357 2.960 0 40 DFAB C[C@@H](OC(=O)c1ccccc1O)c1nc(-c2cccnc2)no1 58633619 CCYKUVKBHPGCEI-SNVBAGLBSA-N 311.297 2.755 0 40 DFAB C[C@@H]1COCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 46775680 ADOKIMDJHNEXDS-CVEARBPZSA-N 324.424 2.876 0 40 DFAB CC(C)(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1 12197135 XSEDXSCEFOLKMU-CQSZACIVSA-N 318.417 2.715 0 40 DFAB Cc1nnc(Cn2c(=O)n(C3=CCCCC3)c3ccccc32)n1C 97114842 LPQNQMYZJSQNDD-UHFFFAOYSA-N 323.400 2.703 0 40 DFAB Cc1cc(=O)[nH]cc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 97143522 MXSMLWIPVFOTEN-UHFFFAOYSA-N 313.140 2.948 0 40 DFAB CC(C)C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4084527 KLKXTGMHQJPXQU-OAHLLOKOSA-N 302.374 2.716 0 40 DFAB biogenic Cc1nc(CNc2cccc(CS(C)(=O)=O)c2C)oc1C 72312478 QTFBTTWVVAPCED-UHFFFAOYSA-N 308.403 2.757 0 40 DFAB Cc1cccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C 6017060 HGQPBIAPYMFITP-UHFFFAOYSA-N 308.337 2.897 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cn3ccc(C)cc3n2)c1 9115255 LGNTVVYVFCBWTE-UHFFFAOYSA-N 323.352 2.990 0 40 DFAB O=C(NCc1ccco1)NCc1cc(Cl)cc2c1OCC2 96013762 MEGROTSGTSRVQV-UHFFFAOYSA-N 306.749 2.867 0 40 DFAB Cc1nc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 96001208 MRWJDPBXYQFWGB-CQSZACIVSA-N 315.377 2.736 0 40 DFAB Cc1cnc(NCc2ccc(N3CCO[C@H](C)C3)nc2)s1 96011521 IVCNSWSCOIQLCB-LLVKDONJSA-N 304.419 2.684 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)C1 65492061 QAZSKCWZRRJNNH-BBVFFXRHSA-N 320.392 2.701 0 40 DFAB CNc1snc(C)c1C(=O)NCCO[C@H]1CCCC[C@@H]1C 65412383 CVPLYPKLQRHROU-JQWIXIFHSA-N 311.451 2.818 0 40 DFAB Cc1csc([C@@H]2CN(Cc3nnc(C(C)(C)C)o3)CCO2)n1 65474986 BGHIAYBOPZWOPK-NSHDSACASA-N 322.434 2.706 0 40 DFAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccs1 14043421 WYEWELWQYOQCKN-VIFPVBQESA-N 323.443 2.612 0 40 DFAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccccc1 14232392 OCXFITNBMUCMBW-UHFFFAOYSA-N 313.382 2.732 0 40 DFAB Cc1cccc(Nc2nnc(S[C@H](C)C(N)=O)s2)c1C 6608718 DIPHAGIDICPIHO-SECBINFHSA-N 308.432 2.864 0 40 DFAB CCNC(=S)N(c1ccc(F)cc1)C1CCN(C(C)=O)CC1 4710567 YPUXGTCNEKORNO-UHFFFAOYSA-N 323.437 2.537 0 40 DFAB O=C(Cc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 9390214 XQZWXJIMKLAHRH-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccco1 6938341 SNXUQPBRAVQDBV-MRXNPFEDSA-N 311.385 2.723 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC[C@H](O)c1ccccc1Cl 90077215 ZASQSTALCOMQFX-HOCLYGCPSA-N 305.809 2.774 0 40 DFAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1C[C@@H]1c1ccccc1 95444867 NHCVQMYHATUTQG-MSOLQXFVSA-N 318.380 2.895 0 40 DFAB C[C@@H]1CN(Cc2cccc(CNCc3cccnc3)c2)CCO1 67976644 MQICCHLLUOIFOQ-MRXNPFEDSA-N 311.429 2.592 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)[C@H]2COc3ccccc32)o1 96423291 GTTTWSIAEVTXMK-LSDHHAIUSA-N 315.369 2.822 0 40 DFAB CCc1nc(NS(=O)(=O)c2ccc3ccccc3c2)no1 96496336 ZPMCFMYFHMQXPQ-UHFFFAOYSA-N 303.343 2.586 0 40 DFAB CN(C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nccs1 96425017 VIVKNCDCANSDBY-NWDGAFQWSA-N 316.382 2.681 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2ccccc2OC)ccc1=O 68577840 LDBDUYZZGQVXDB-GFCCVEGCSA-N 315.373 2.760 0 40 DFAB Cc1ccc2cc(C(=O)N3CCN(C4CC4)CC3)c(C)nc2c1 71836664 RZHGIJKZPQKACL-UHFFFAOYSA-N 309.413 2.772 0 40 DFAB CC1(C)COCCN1C(=O)c1cc(Br)cs1 71835033 CVMYUELKKLGUDS-UHFFFAOYSA-N 304.209 2.762 0 40 DFAB Cc1[nH]c(C(=O)Nc2nccs2)c(C)c1C(=O)OC(C)C 16641288 LCOWLJSXEIFWQM-UHFFFAOYSA-N 307.375 2.906 0 40 DFAB COCCNC(=S)N[C@H]1CCSc2ccc(Cl)cc21 16703963 PXJQUSGDLHMGNR-NSHDSACASA-N 316.879 2.987 0 40 DFAB CCS(=O)(=O)c1ccc(CCC(=O)N2[C@@H](C)CC[C@H]2C)cc1 95441321 NFZUELUKWJLRSM-OKILXGFUSA-N 323.458 2.812 0 40 DFAB COCC[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 95448704 GPIZQQCOMZLYMO-CZUORRHYSA-N 324.396 2.642 0 40 DFAB CC(C)(NC(=O)NCc1ccccn1)c1ccc2c(c1)OCO2 69417643 XZWCNZKCLHLGPQ-UHFFFAOYSA-N 313.357 2.545 0 40 DFAB COc1c(Cl)cc(NC(=O)N2CCC[C@@H](O)C2)cc1Cl 69628805 HHRYOFXVHDPDND-SECBINFHSA-N 319.188 2.991 0 40 DFAB CCc1nnc2n1C[C@@H](CNCc1cc3ccccc3o1)CC2 69773882 YWOABPCCUUVTNS-CYBMUJFWSA-N 310.401 2.939 0 40 DFAB CC(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)O 94598195 MYWUOOFLPJSLKG-JTQLQIEISA-N 307.243 2.684 0 40 DFAB COCCC[C@H](C)C(=O)N1CCC[C@@H](N2CCCCCC2)C1 97047283 PBVSLVNXMFHAHZ-DLBZAZTESA-N 310.482 2.916 0 40 DFAB Cn1nccc1CNC(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 95965940 HFKVCOILBHQFJP-HNAYVOBHSA-N 324.428 2.514 0 40 DFAB CC[C@H]1COCCN1C(=O)N[C@@H](C)c1c(F)cccc1OC 74739688 ABRGWEJRULZIMB-RYUDHWBXSA-N 310.369 2.716 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 75130362 RQJZIQXWQRVVJO-LBPRGKRZSA-N 304.419 2.779 0 40 DFAB COc1c(C)cccc1C(=O)Nc1ccc(C(=O)O)c(O)c1 20143037 SUEFBZBWJNSZPO-UHFFFAOYSA-N 301.298 2.660 0 40 DFAB Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 409103001 WZCWEFYDUAAOAC-UHFFFAOYSA-N 310.426 2.918 0 40 DFAB Cc1nc2ccc(NC(=O)c3ccc4cccnc4c3)cn2n1 1519081416 KXOPDSZCARANCQ-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB CCOC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1ccccc1 408979957 OXFPMGMTDHOMMH-HNNXBMFYSA-N 313.357 2.898 0 40 DFAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCC1 216308694 SVULVENTKOYXAG-QGZVFWFLSA-N 304.434 2.755 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642535 XNTBTBMWXZGVES-RUDMXATFSA-N 321.380 2.756 0 40 DFAB Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)cc1 79360609 UQSVKHLOMISSQH-ROUUACIJSA-N 310.397 2.969 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)Cc2cncs2)C12CCCCC2 188155430 MKHGXLIZDGZILB-KGLIPLIRSA-N 308.447 2.930 0 40 DFAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 222777355 PZAIKLRFDODSLR-CABCVRRESA-N 300.431 2.721 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O 139113162 PAIRYZGKQAXHFI-QSARLWQPSA-N 305.355 2.675 0 40 DFAB C[C@H](CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1ccccc1 195578298 NOGZSYHVJGUPQZ-OIISXLGYSA-N 313.397 2.933 0 40 DFAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCc1ccccc1 222745002 IUHSIDDBTKBWDR-MRXNPFEDSA-N 324.424 2.783 0 40 DFAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222852193 UERJIHLMGRJCKQ-CABCVRRESA-N 300.431 2.801 0 40 DFAB CC[C@H](CNC(=O)Nc1cnn(C)c1)Oc1cccc(C)c1 96455233 FWOKMOWJWJGKRE-CQSZACIVSA-N 302.378 2.708 0 40 DFAB CC[C@@](Br)([C@H](O)c1ccccc1C)S(C)(=O)=O 96521549 ZFFXKKLJRRLSLI-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccco3)CC2)CN1C(C)C 96240295 MBECSYASAYUEAR-MRXNPFEDSA-N 306.450 2.991 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)NCc2cn3c(C)cccc3n2)C1 96440604 VVNKPLZTLISFAP-GXTWGEPZSA-N 318.446 2.726 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1c(F)cccc1F 238191188 MYSAHHIMTVWCMM-SECBINFHSA-N 315.316 2.875 0 40 DFAB c1cncc(OCc2n[nH]c3c2CN(Cc2cccs2)C3)c1 96260225 XSTWDXYRWBLLOJ-UHFFFAOYSA-N 312.398 2.961 0 40 DFAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccco3)n2)cc1OC 95534214 ILXNQXOLHXZYPD-AWEZNQCLSA-N 314.345 2.520 0 40 DFAB Fc1cccnc1O[C@@H]1CSC2(C1)CN(Cc1ccoc1)C2 247557328 XRQWTUWHAMKPMM-ZDUSSCGKSA-N 320.389 2.953 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2cn3cccc3c(N(C)C)n2)ncn1 257223564 DXYHSLLPYUTIFW-OAHLLOKOSA-N 322.416 2.840 0 40 DFAB CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)ccn1 257338367 YXBNDWUDTZHQLV-IWAYRVGRSA-N 322.412 2.920 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H]2c2cnccn2)c2ccccc21 257332444 XXJDJPOLOMLAEJ-KRWDZBQOSA-N 306.369 2.946 0 40 DFAB COc1ccccc1[C@@H]1CN(c2ccncc2)CCN1C(C)=O 257313271 URPODNFVDRCQOA-KRWDZBQOSA-N 311.385 2.500 0 40 DFAB CC(C)c1nn(C)cc1NC(=O)NCc1ccc(C(=O)O)cc1 261881095 MOELSVHRLRIAFA-UHFFFAOYSA-N 316.361 2.563 0 40 DFAB O=C(NCc1nccnc1-c1ccco1)c1cc(C2CC2)on1 390831529 SJCKYEGGUITOOO-UHFFFAOYSA-N 310.313 2.532 0 40 DFAB CC(C)(CNCc1ccncc1N)N1CCc2ccccc2C1 585141045 OCSBRCMNURMNHW-UHFFFAOYSA-N 310.445 2.590 0 40 DFAB Cc1cc(=O)c2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2[nH]1 44978429 GSRBYQIBHHWLQS-UHFFFAOYSA-N 308.263 2.744 0 40 DFAB COC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 581246 FOCUMTKYARDYPH-OAHLLOKOSA-N 317.366 2.840 0 40 DFAB O=C(O)CCCc1nc(-c2cccc(Br)c2)no1 17087040 QBFJNXQHMMWQCC-UHFFFAOYSA-N 311.135 2.906 0 40 DFAB CSc1ncc(Br)c(N2C[C@H](C)O[C@@H](C)C2)n1 1889070785 PKDVZXJHZZEWCQ-YUMQZZPRSA-N 318.240 2.575 0 40 DFAB Cc1cccc(OC[C@H](O)Cn2c(C)[n+](C)c3ccccc32)c1 5015119 NIXYHOCFVKKUEH-MRXNPFEDSA-N 311.405 2.523 0 40 DFAB CC(C)CCNC(=O)CSc1nc(-c2cccs2)n[nH]1 5017310 ONAUUHYNOSDVLC-UHFFFAOYSA-N 310.448 2.788 0 40 DFAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC1CC1 5358270 WZOJRFCCBZWEHK-UHFFFAOYSA-N 320.443 2.712 0 40 DFAB COC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCOCC1 19236971 ONDVTXOVEYCELJ-CQSZACIVSA-N 317.385 2.848 0 40 DFAB C[C@H](CCn1cccn1)Nc1cc2c(cc1F)NC(=O)CC2 153267895 SBWYCTJQMPDXPC-LLVKDONJSA-N 302.353 2.798 0 40 DFAB COc1ccccc1[C@@H]1Nn2c(nnc2-c2cccnc2)S1 3843139 RKNZCKBACRADLZ-CQSZACIVSA-N 311.370 2.697 0 40 DFAB biogenic CC[C@H]1CN(C)CCN1C(=O)c1coc2ccc(OC)cc12 554636404 KYAUJBNALSHMJJ-LBPRGKRZSA-N 302.374 2.608 0 40 DFAB COc1nn(C)cc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 245187623 ZRHBNHYMWFHEBL-LLVKDONJSA-N 313.357 2.536 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 3554128 CXRNYTSOFNMFKQ-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB Cc1cc(C)nc(SCCCNC(=O)Nc2cc(C)on2)n1 10220893 AZVFXHQFBOQXAS-UHFFFAOYSA-N 321.406 2.694 0 40 DFAB O=S(=O)(NCc1cccnc1)c1ccc(C(F)(F)F)cc1 12526790 WPDNZLDVHYUSFB-UHFFFAOYSA-N 316.304 2.579 0 40 DFAB O=C(c1ccccc1)N1CCN(c2ncnc3ccccc23)CC1 30677819 OLYXJUQVSOBEPM-UHFFFAOYSA-N 318.380 2.592 0 40 DFAB O=C(O)c1ccc(CSc2nnnn2-c2ccccc2)cc1 33366 ZBZGROSUAMJLFK-UHFFFAOYSA-N 312.354 2.653 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Br)cc1 40525292 UAFSHMFUVRIUGC-UHFFFAOYSA-N 323.194 2.847 0 40 DFAB O=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 241457 XCLRXFSRZUJEQY-MDZDMXLPSA-N 303.339 2.797 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2C=C[C@H]1CC2 102308183 SPQAOOUJELOKGO-WBRVRECLSA-N 307.296 2.816 0 40 DFAB O=C(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1cccnc1 32818329 QJJKTQTVZLYRKU-RYUDHWBXSA-N 302.296 2.702 0 40 DFAB O=C([C@H]1CC(c2c(F)cccc2Cl)=NO1)N1CCCCC1 814866 VKMJPXCFBURLRO-CYBMUJFWSA-N 310.756 2.985 0 40 DFAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCO2 483925 IMNSWLAHWWPMMX-UHFFFAOYSA-N 301.298 2.685 0 40 DFAB O=C(Cn1nnc2ccccc21)OCc1nc2ccccc2s1 21979974 BTZNNAHPOBJIAH-UHFFFAOYSA-N 324.365 2.784 0 40 DFAB COc1ccc(C)cc1CCNC(=O)CCn1nc(C)cc1C 22135659 FDWHTCANKKDRSC-UHFFFAOYSA-N 315.417 2.566 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 22246550 NHNFCRWBKYYKPG-ZANVPECISA-N 324.402 2.829 0 40 DFAB CCCn1c(SCc2cc(-c3ccccc3)no2)n[nH]c1=O 9050284 HEUMNVNSSUGOSI-UHFFFAOYSA-N 316.386 2.929 0 40 DFAB COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1 403211 LHBHZALHFIQJGJ-HUUCEWRRSA-N 301.367 2.842 0 40 DFAB Brc1ccc(-c2cnnc(N3CCCC3)n2)cc1 521422 LPFQBJQHKKFPMN-UHFFFAOYSA-N 305.179 2.901 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C)cc(C)n1 97142874 UFSKGJOLPUEKKD-LBPRGKRZSA-N 314.393 2.509 0 40 DFAB CCc1nc(C)ncc1C(=O)N[C@H](C)COc1ccccc1F 95398462 AWOIKOJWMUVXNQ-LLVKDONJSA-N 317.364 2.684 0 40 DFAB O=C(CNc1cc(C(F)(F)F)ccn1)NCc1ccccc1 78592039 HSHVKWIXRKGYDV-UHFFFAOYSA-N 309.291 2.829 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)NC2CCN(C)CC2)C12CCCCC2 78829577 QMMHDSZQZOTIBY-JKSUJKDBSA-N 323.481 2.508 0 40 DFAB Cn1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cn1 71283307 JBNPRBPAQYDTBU-LBPRGKRZSA-N 315.377 2.539 0 40 DFAB Cc1cc(C)c(N(C)C(=O)CCC(=O)O)c(Br)c1 1583252 QGTFMJYZYWXPBF-UHFFFAOYSA-N 314.179 2.894 0 40 DFAB CCCCc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 1810682 UBOMZNJDBWTZPP-LBPRGKRZSA-N 319.386 2.659 0 40 DFAB CCCN1C(=O)/C(=C\c2ccccc2F)C(C(=O)OC)=C1C 6654696 NYGBPNSIJMCCSA-RAXLEYEMSA-N 303.333 2.908 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(-n2cccn2)cc1 12585290 NRUPNEAJVKPYSK-UHFFFAOYSA-N 317.352 2.679 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ncccn1 3266832 OWIGMHSQZGYSLQ-ZDUSSCGKSA-N 301.415 2.706 0 40 DFAB O=C(O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1 8811325 SUVZFSSBSWWWCR-GIJQJNRQSA-N 318.760 2.927 0 40 DFAB COc1ccc(C)cc1NCCN1C(=O)c2ccccc2C1=O 9368687 VABIFGBNSIICAW-UHFFFAOYSA-N 310.353 2.712 0 40 DFAB Cc1cccc(OCCNC(=O)CNc2cc(F)cc(F)c2)c1 24040923 JPKMUEFLYDXKMK-UHFFFAOYSA-N 320.339 2.880 0 40 DFAB CN(CCCNC(=O)c1cccnc1S)c1ccccc1F 58160297 NKJGYUVWWOOKCT-UHFFFAOYSA-N 319.405 2.766 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@H](C)CC[C@@H]2CCCO2)c1 58245120 PPJUTQABIZABQK-OLZOCXBDSA-N 307.390 2.781 0 40 DFAB CCN(C(C)=O)c1nc(/C=C/c2ncc(C(=O)O)s2)cs1 58344325 YCNYCZHIOBNLTC-SNAWJCMRSA-N 323.399 2.841 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N(C)CC2CCCC2)cc1 58420219 ANLODAOVFVIWPB-UHFFFAOYSA-N 319.405 2.925 0 40 DFAB CCCCNC(=O)[C@@H]1[C@@H](C(=O)NCCCC)[C@H]2C=C[C@H]1CC2 104185395 PCHUBPHMSXVCEZ-VGWMRTNUSA-N 306.450 2.647 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55217393 SZBYGMDUFNSSNP-GFCCVEGCSA-N 322.430 2.525 0 40 DFAB COCCCNC(=O)Nc1cccc(COCCOC(C)C)c1 62416932 DQNROMSPDILNNY-UHFFFAOYSA-N 324.421 2.786 0 40 DFAB CC(=O)[C@H](C)OC(=O)C1CCN(c2nc3ccccc3o2)CC1 28486517 YOAHITUAJDHLCT-LBPRGKRZSA-N 316.357 2.565 0 40 DFAB O=C(N[C@@H](O)C(Cl)(Cl)Cl)C(F)(F)c1ccccc1 28405345 PBPXNHGEADUSNH-QMMMGPOBSA-N 318.534 2.583 0 40 DFAB Cc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 28727220 HSOJPOYBAWASBR-AWEZNQCLSA-N 318.442 2.835 0 40 DFAB Cc1cc(C(=O)N(C)C)c2cnn(Cc3cccs3)c2n1 29084559 DCQCPPQFEDZCHZ-UHFFFAOYSA-N 300.387 2.551 0 40 DFAB CCc1ncncc1C(=O)NCCCCOc1ccc(C)cc1 46104895 LFONXTVNALRVFS-UHFFFAOYSA-N 313.401 2.936 0 40 DFAB CC1CCN(CCNC(=O)N2CCc3sccc3C2)CC1 46369022 WRJYRVLIKNNNBS-UHFFFAOYSA-N 307.463 2.548 0 40 DFAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)no1 24491912 XYFIJUQFVPSWEV-UHFFFAOYSA-N 311.345 2.703 0 40 DFAB O=C(NCCOc1ccccc1)c1cc(Br)c[nH]1 48521361 SAXSWYDXWLRSKC-UHFFFAOYSA-N 309.163 2.586 0 40 DFAB Cc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 12983206 LUQPKNIWVIURRW-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB C[C@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1ccco1 173669007 CKLJDGDVHKYYCD-HNNXBMFYSA-N 311.740 2.639 0 40 DFAB Cc1noc(-c2ccccc2C(=O)OCC[C@@H]2CCCO2)n1 96002746 WWRGYJROXGNWPC-LBPRGKRZSA-N 302.330 2.771 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1snc2ccccc12 49545868 KNUQGZBOOZSFMH-UHFFFAOYSA-N 309.372 2.702 0 40 DFAB c1ccc(-c2nnc3ccc(NCc4ccccn4)nn23)cc1 64904450 UYDIGMLRGDKYBV-UHFFFAOYSA-N 302.341 2.798 0 40 DFAB CCOc1ncccc1C(=O)Oc1ccc2ccc(=O)oc2c1 6236515 CQRPVBAPALBXBV-UHFFFAOYSA-N 311.293 2.806 0 40 DFAB COc1ccc(COC(=O)c2cn3ccccc3n2)cc1F 4407633 CMSMZNXGKAVUEM-UHFFFAOYSA-N 300.289 2.839 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H](n2cccn2)C1 65609543 TXHZIGNCCMZSCI-ZDUSSCGKSA-N 301.415 2.911 0 40 DFAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccco2)N(C)C3=O)cc1 4909452 FAFBXRVEMCBPBF-MRXNPFEDSA-N 309.325 2.853 0 40 DFAB CCN(CC(=O)OCC1(C)COC1)Cc1ccc(Cl)cc1 84777455 UNTFTDDFDSVHHA-UHFFFAOYSA-N 311.809 2.742 0 40 DFAB Cc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1 68092396 QRHFXTUFVCGZBW-CYBMUJFWSA-N 321.384 2.804 0 40 DFAB C[C@@H](NC(C)(C)CNC(=O)C[C@@H]1CCCO1)c1ccccc1 68387205 XPEXWUOZYSFADB-ZBFHGGJFSA-N 304.434 2.801 0 40 DFAB CC(=O)N1CCC(N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 90916358 FZHVVTPHRXFPCV-ZWKOTPCHSA-N 308.466 2.857 0 40 DFAB O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccn2cncc2c1 95446925 FWYKETNXSNAZGW-UHFFFAOYSA-N 303.325 2.977 0 40 DFAB CC[C@@H](C)c1cc(C(=O)NCCc2cccc(OC)c2O)on1 95404218 PSZBUXDXWXCYCF-LLVKDONJSA-N 318.373 2.875 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)c2c(C)nn(C)c2n1 71829974 FNMQAWBLWDAROO-CQSZACIVSA-N 300.406 2.846 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)cs2)c2ccccc21 71818135 WKTAJEFNFYZKMI-SECBINFHSA-N 323.395 2.759 0 40 DFAB O=C(CNC(=O)c1ccccc1F)Nc1ccc2ncccc2c1 69348625 USJIVOFIUBQUEK-UHFFFAOYSA-N 323.327 2.742 0 40 DFAB c1nc2n(n1)C[C@H](NCc1csc(-c3ccsc3)n1)CC2 69493263 JARMKHAERZCRFU-LLVKDONJSA-N 317.443 2.568 0 40 DFAB CC(C)Cc1ccc([C@@H](NC(=O)Cn2cncn2)C2CC2)cc1 69462512 JBXBFOGTCAJNTJ-GOSISDBHSA-N 312.417 2.744 0 40 DFAB COc1ccc(-c2noc(COC(=O)C=C(C)C)n2)cc1OC 8428097 QNFCIAAHMGCTJR-UHFFFAOYSA-N 318.329 2.763 0 40 DFAB CC(C)C[C@@H](O)CNC(=O)N(Cc1ccco1)c1cccnc1 95409260 IXPLMBRAOBMCAW-OAHLLOKOSA-N 317.389 2.798 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)c2cccc3[nH]ncc23)C1 69778548 LXCUAVJATJNPMV-ZDUSSCGKSA-N 309.373 2.545 0 40 DFAB Cc1nc2c3ccccc3nc(N[C@@H]3CCCC[C@H]3CO)n2n1 95400114 WFVXZXQCJMSGSR-GXTWGEPZSA-N 311.389 2.549 0 40 DFAB COC(=O)N1CCC(N[C@H](C)c2cc(C)ccc2OC)CC1 95420818 DPHBBHBMFKSYDE-CYBMUJFWSA-N 306.406 2.885 0 40 DFAB CC(C)C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2O)CC(=O)N1 97060129 WPAUCKCFWNSMTA-CMPLNLGQSA-N 324.808 2.925 0 40 DFAB Cc1nc(C[S@](=O)Cc2nc(-c3ccsc3)no2)oc1C 97083598 OJQYCSCXKAQFAQ-OAQYLSRUSA-N 323.399 2.852 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1cccc(Cl)c1C 72294149 AIELBMFLJHMOEG-JTQLQIEISA-N 302.827 2.884 0 40 DFAB COc1c([C@H]2CCCN2Cc2nnc(C(C)C)o2)c(C)nn1C 72253810 XMGZCVFIRAJXHX-GFCCVEGCSA-N 319.409 2.581 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N(C)Cc4nc[nH]n4)c23)C1 72293276 QMARNONUWUSWFD-SECBINFHSA-N 314.418 2.571 0 40 DFAB CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1(C)C 95962811 YQIUSCJTMYIHRY-GDZNZVCISA-N 320.437 2.502 0 40 DFAB CC[C@H]1CN(c2nc(C3CC3)ns2)CCN1CC(F)F 95980047 JMJWVIGVLHFMOF-JTQLQIEISA-N 302.394 2.581 0 40 DFAB Cc1ccc(OCC(C)(C)O)c(C(=O)Nc2ccncc2)c1 95974942 FGTHWRADVFQQGB-UHFFFAOYSA-N 300.358 2.792 0 40 DFAB Fc1ccc(-n2cc(CNC[C@@H]3CSCCS3)cn2)cc1 75109934 FILKDZLYHUKFRW-OAHLLOKOSA-N 323.462 2.950 0 40 DFAB Cn1ccc(NC(=O)NCc2ccccc2OC2CCC2)n1 89756681 BAEVSWISWZEZQA-UHFFFAOYSA-N 300.362 2.673 0 40 DFAB OCc1cc2ccccc2nc1N1CCC(n2cccn2)CC1 89873033 POFCDOQPLZRVJS-UHFFFAOYSA-N 308.385 2.765 0 40 DFAB CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1cncc(F)c1 89840146 PAPHEGNOPCHJTA-UHFFFAOYSA-N 324.377 2.778 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n[nH]1 76060074 APJZVMJOFTVYOH-GJZGRUSLSA-N 305.422 2.773 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc(COC)o2)C12CCCC2 76068113 TUXHHHRGJNGCIT-HUUCEWRRSA-N 307.390 2.894 0 40 DFAB NC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 35059411 XQGCQKYNPCMRGN-UHFFFAOYSA-N 306.163 2.874 0 40 DFAB Cc1cc(NC(=O)Cn2nnc3ccccc32)c2ccccc2n1 32609964 LNHQLHHNWOMFEN-UHFFFAOYSA-N 317.352 2.927 0 40 DFAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 30862509 LNKIALOKWSUGMQ-OAHLLOKOSA-N 316.332 2.721 0 40 DFAB C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 34657909 OLPSAOWBSPXZEA-VFELUIQASA-N 304.430 2.850 0 40 DFAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)CCc1ccccc1 71979726 DGKFAMUWMMOBOP-OAHLLOKOSA-N 317.385 2.592 0 40 DFAB Cc1nnc(CN(C)Cc2ccccc2OC(F)(F)F)o1 43645198 HNBPOWYMTOPEBN-UHFFFAOYSA-N 301.268 2.909 0 40 DFAB CC(C)c1ccccc1NC(=O)C(=O)NCCc1ccccn1 42646493 HCYRUHOJTPEIGG-UHFFFAOYSA-N 311.385 2.502 0 40 DFAB C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1)N(C)C 195574659 BNKJTALOKTZVBW-JTQLQIEISA-N 310.398 2.596 0 40 DFAB CC1CCN(c2ncc3c(n2)CN(c2ccccc2)C3=O)CC1 46088801 IVMXDQZNVKSDGH-UHFFFAOYSA-N 308.385 2.873 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2cccs2)nc1C1CC1 195556179 TXPYNEQTLIDMTQ-UHFFFAOYSA-N 316.382 2.737 0 40 DFAB C[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccn(C)n1 333153017 BZSNWJHMFHQLQS-ZDUSSCGKSA-N 320.437 2.614 0 40 DFAB O[C@](CCN[C@H]1CCSC1)(c1ccccc1)C(F)(F)F 96477531 NZZOZFPEKAZGEP-QWHCGFSZSA-N 305.365 2.922 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@@H](O)c1ccc(F)cc1 96445776 CZJRQEYSTOSIIJ-MRXNPFEDSA-N 316.376 2.704 0 40 DFAB Cc1cccc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)n1 96244718 ORZWFJPENLBDCA-SFHVURJKSA-N 321.424 2.843 0 40 DFAB CC(C)Cn1cnc2ccc(NC(=O)c3ccco3)cc2c1=O 95480968 MHSZXFWPPNDUBA-UHFFFAOYSA-N 311.341 2.898 0 40 DFAB COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(C(N)=O)o1 90179201 RAPRUWRZFJRMSV-SECBINFHSA-N 308.765 2.891 0 40 DFAB CN1CC[C@H](NCc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 96484387 BWXHEPAQBWBQAY-ZFWWWQNUSA-N 308.788 2.737 0 40 DFAB O=C1NC2(CCCC2)N[C@@H]1c1cc(Br)ccc1F 90661436 YXSRXAOSUHTZFT-LLVKDONJSA-N 313.170 2.619 0 40 DFAB Cc1cnn(CCC(=O)Nc2ccc(Br)c(C)n2)c1 96444389 FHNMWIMVEKCVJE-UHFFFAOYSA-N 323.194 2.686 0 40 DFAB CO[C@@](C)(CNC(=O)c1cc(C2CC2)on1)c1ccccc1F 96123526 XWODBWYSZGVKDQ-KRWDZBQOSA-N 318.348 2.983 0 40 DFAB CCCN(C)C[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 245289927 GCDDKYCNDDMDPD-RDJZCZTQSA-N 316.445 2.743 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)n1 257207138 BGMGDPJERNOFMO-CQSZACIVSA-N 306.369 2.896 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 257231213 GFUMMDFDJOKDKU-OAHLLOKOSA-N 313.401 2.837 0 40 DFAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC(C)C)n1 260735256 GFCLQAFJZMVQBF-GFCCVEGCSA-N 307.467 2.859 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)c2sccc2COC)no1 378504211 FBQOUKKUYWAKEA-LLVKDONJSA-N 321.402 2.817 0 40 DFAB CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 566064313 NIDQKBDIZHOOQY-GXTWGEPZSA-N 316.430 2.692 0 40 DFAB CC(C)(CO)ONC(=O)Nc1ccc(F)cc1C(F)(F)F 296356204 DFVWAYLZDFXJOS-UHFFFAOYSA-N 310.247 2.669 0 40 DFAB COc1nn(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009442 MBZHGYDXEMJYNA-KBPBESRZSA-N 301.390 2.532 0 40 DFAB Cc1ccc2c(c1)CN(C(=O)C1CCCC1)[C@@H](CN(C)C)CO2 72395241 WPIJQWRBSPKBLO-KRWDZBQOSA-N 316.445 2.836 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)N[C@H](CO)Cc1ccccc1 57855340 NMGIJHVEIVGHMG-BBRMVZONSA-N 318.442 2.582 0 40 DFAB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c(C)o1 79093356 CWHYMAWTMABVKN-SMDDNHRTSA-N 324.446 2.572 0 40 DFAB COc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 62285 HSFSQVKOLXYJDV-RIYZIHGNSA-N 323.304 2.768 0 40 DFAB CCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O 5437338 XDYSPKPGMLQIPI-ZFWWWQNUSA-N 303.402 2.992 0 40 DFAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cn2cc(Cl)ccc2n1 12323855 RRBIWAXRILTQRG-UHFFFAOYSA-N 311.732 2.538 0 40 DFAB CCOc1ccccc1NC(=O)COc1ccccc1C(=O)O 13080161 CKQPZIQMCVZLRD-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB CCCNC(=O)NC(=O)CSC1=Nc2ccccc2CS1 5297495 BABIKIJBGHNKDT-UHFFFAOYSA-N 323.443 2.890 0 40 DFAB O=C(Nc1cccc(F)c1)C1=NN(c2ccccc2)C(=O)CC1 6603089 UAVQVEKHJZIJFJ-UHFFFAOYSA-N 311.316 2.947 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)nc1 1888913253 KNNLKUUQWHERQA-CQSZACIVSA-N 322.416 2.767 0 40 DFAB COC1(CNc2ncc(Br)cn2)CCSCC1 1776000487 IYHNNRDYZJOERB-UHFFFAOYSA-N 318.240 2.563 0 40 DFAB COC(=O)c1cc(NC(=O)[C@@H](C)OCC(F)(F)F)ccc1F 31717849 KLNBRCZUMWBWBA-SSDOTTSWSA-N 323.242 2.518 0 40 DFAB O=C(NCCC(=O)N1CCCCc2ccccc21)c1ccoc1 40548613 YAUSRLQADLPHLC-UHFFFAOYSA-N 312.369 2.769 0 40 DFAB C[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 342766 ZFUMVOZRYHJUKG-VIFPVBQESA-N 315.398 2.619 0 40 DFAB CCOC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)C(C)C 32911691 CDTHEKXEBHTVEC-FZMZJTMJSA-N 310.369 2.774 0 40 DFAB CN(CC1CCC1)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 78614774 BIUJFKFCVDJZQL-OAHLLOKOSA-N 306.450 2.816 0 40 DFAB O=C1O[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)Cc2ccccc21 42797909 SVQQIMCPNXDMNS-DLBZAZTESA-N 322.364 2.527 0 40 DFAB Nn1cnnc1-n1nc(-c2ccccc2)cc1-c1ccccc1 3205018 NZXALZIEDMVXRT-UHFFFAOYSA-N 302.341 2.512 0 40 DFAB O=C(NC1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 3437155 WAQGKQJVILIWDT-UHFFFAOYSA-N 317.357 2.745 0 40 DFAB CC1CCN(C(=S)SCc2cn3cccnc3n2)CC1 4136802 NUMFOZLWIPQMOV-UHFFFAOYSA-N 306.460 2.979 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 105851423 QVBDMJNQUDKVRJ-CYBMUJFWSA-N 323.400 2.799 0 40 DFAB COc1ccc(CNC(=O)[C@@]23CC[C@@H](C2)C(C)(C)C3=O)cc1 4185804 BPTCTPYLUHDTEM-UGSOOPFHSA-N 301.386 2.707 0 40 DFAB COc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 4327979 VQQPGGPRSKOZRP-INIZCTEOSA-N 308.337 2.589 0 40 DFAB biogenic O=C(Cn1sc2cc(F)ccc2c1=O)NCc1ccccc1 4751515 ALHOCOQCEODTIF-UHFFFAOYSA-N 316.357 2.519 0 40 DFAB CN(C)C(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 7214443 PGEDPFKCQICECO-UHFFFAOYSA-N 320.352 2.584 0 40 DFAB O=C(CC(F)(F)F)NCc1cccc(N2CCCCC2=O)c1 55662438 MOIDENMZNBBXAB-UHFFFAOYSA-N 314.307 2.772 0 40 DFAB C[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)C1 8074323 XZVZXFSOEFDMOG-SNVBAGLBSA-N 322.459 2.884 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1OC 8345029 WNUJYYINGCIOTN-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB O=C1/C(=C\c2ccc(F)cc2)NC(=S)N1Cc1ccco1 105328199 RFIRKMHEYSGVGI-MDWZMJQESA-N 302.330 2.677 0 40 DFAB CN(C)C1(CNC(=O)COc2cccc(F)c2)CCCCCC1 25443449 IQNCHAIBVKRGBY-UHFFFAOYSA-N 322.424 2.975 0 40 DFAB Cc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1C(=O)O 44750160 XGMVZAZELQJYKE-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COC(=O)[C@@H]1CN(C(=O)c2sccc2C)c2ccccc2O1 58174677 NCIIVEPUWIOEKW-ZDUSSCGKSA-N 317.366 2.637 0 40 DFAB COc1ccccc1CCC(=O)Nc1c2c(nn1C)CSC2 72402081 JXIBPAYQVLXYTB-UHFFFAOYSA-N 317.414 2.747 0 40 DFAB CCCn1nc(C(=O)Nc2ccc(C)cn2)c2ccccc2c1=O 27641746 CKONDLCEUFTIKS-UHFFFAOYSA-N 322.368 2.762 0 40 DFAB COc1ccc(NC(=O)[C@H](C)Sc2nncn2C2CC2)cc1 10649524 QFMFGRPAEUBADR-JTQLQIEISA-N 318.402 2.741 0 40 DFAB O=CN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 10282904 YKTHBZPKYZPONI-XDJHFCHBSA-N 320.392 2.528 0 40 DFAB Cc1ccccc1CN(C)C(=O)c1ccccc1S(C)(=O)=O 45674356 QSHLAYLBGNDPKX-UHFFFAOYSA-N 317.410 2.671 0 40 DFAB O=C(Cc1cccs1)NCCc1nc2c(s1)CCCC2 60369486 DDVYZOUCKMHIDJ-UHFFFAOYSA-N 306.456 2.985 0 40 DFAB COc1ccccc1-n1cnnc1S[C@@H]1CCCCC1=O 3428911 RVRWXECCJIDGLP-CQSZACIVSA-N 303.387 2.880 0 40 DFAB Cc1c(NC(=O)C[C@@H]2C=CCC2)c(=O)n(-c2ccccc2)n1C 12918106 SELAVIBTUOFOHC-CQSZACIVSA-N 311.385 2.779 0 40 DFAB CCn1c(SCC(=O)O)nnc1-c1cc2ccccc2o1 9031220 NZCBNKDTMAIXAM-UHFFFAOYSA-N 303.343 2.888 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(C)cc1 13005543 TXEVDBYXWGOPHS-OAHLLOKOSA-N 300.358 2.671 0 40 DFAB O=C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CCN1 93101874 ZRSKEJBHLCVQOY-UHFFFAOYSA-N 306.715 2.681 0 40 DFAB NC(=O)CSc1nc(-c2ccccc2)nc2c1SCCC2 13623975 BCEUVWBTOSKHBC-UHFFFAOYSA-N 317.439 2.759 0 40 DFAB CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@@H](C)OCC 84791118 CGWAPSDOQMEITI-LLVKDONJSA-N 308.378 2.659 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC2(Cl)Cl)c1 6235756 YCHQKCZPBYDWGY-VIFPVBQESA-N 302.157 2.914 0 40 DFAB C[C@H]1C[C@H]1C(=O)Nc1cccc(I)c1 6285026 WOWMKWVXHJKPSY-OIBJUYFYSA-N 301.127 2.886 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2cccnc2)[C@@H]1C 4546944 NDLRVHXPONQDRJ-NFAWXSAZSA-N 303.406 2.741 0 40 DFAB C[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccccc1 5420711 GKDLEFVGEPQBHM-GFCCVEGCSA-N 321.336 2.814 0 40 DFAB CC[C@H](C(=O)NCCc1nnc2ccccn12)c1ccccc1 5451303 NPPRMUSMOKIWQZ-HNNXBMFYSA-N 308.385 2.582 0 40 DFAB Cn1ccnc1[C@H](O)C1CCN(Cc2cccc3[nH]ccc23)CC1 93455100 AKDZJJGPNCLUIM-GOSISDBHSA-N 324.428 2.847 0 40 DFAB Cc1cnc([C@H](C)NC(=O)Nc2ccc3nn[nH]c3c2)s1 95434482 UTJIAGLOYHRCGY-QMMMGPOBSA-N 302.363 2.606 0 40 DFAB COCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 19736337 LBMCWSLUIKWKKQ-UHFFFAOYSA-N 300.358 2.855 0 40 DFAB COc1ccc2cc(-c3nc(-c4ccncc4)no3)c(=O)oc2c1 6867995 QQWLCWSGJUZPQE-UHFFFAOYSA-N 321.292 2.914 0 40 DFAB O=C1N=C(O)C[C@H]1N(C(=O)c1cccc(-c2ccoc2)c1)C1CC1 90039996 QIHPVQBERFODGV-OAHLLOKOSA-N 324.336 2.807 0 40 DFAB Nc1c(-c2ccccc2)nsc1C(=O)NCc1cccnc1 67334742 PTSRSOVZYXXLCS-UHFFFAOYSA-N 310.382 2.717 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 95411276 JKRKDEJRYRCUGP-HOTGVXAUSA-N 306.381 2.689 0 40 DFAB CCC[C@@H]1CN(C(=O)NCCCc2ccc(O)cc2)CCO1 96485454 YKOFUHZSRLOASV-MRXNPFEDSA-N 306.406 2.535 0 40 DFAB CCn1c(C)cc(C(=O)OCC(=O)NC2CCC(C)CC2)c1C 7794812 HXBOHRXJVBMBLT-UHFFFAOYSA-N 320.433 2.977 0 40 DFAB CN1CC[C@H](Nc2cc(Cl)ccc2OCC(F)(F)F)C1=O 81085178 SDOSAMYXECUFRW-VIFPVBQESA-N 322.714 2.924 0 40 DFAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncccn2)C1 9577529 UUGXFFOHNCQZKO-GFCCVEGCSA-N 316.792 2.985 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)N(C1=CCCCC1)C1CC1 7985366 YIKPAPCLDYTTIA-UHFFFAOYSA-N 323.396 2.845 0 40 DFAB COc1ccc(-n2cnnc2SCc2csc(C)n2)cn1 70040353 BSMIFKNIWWISHX-UHFFFAOYSA-N 319.415 2.728 0 40 DFAB CN(CCNC(=O)c1c(F)cccc1F)C(=O)OC(C)(C)C 69566534 PGEUXANOOAHFAF-UHFFFAOYSA-N 314.332 2.562 0 40 DFAB Clc1cc(CN2CC(n3cccn3)C2)cc2c1OCCCO2 69629752 LNBGCULIZGXWEZ-UHFFFAOYSA-N 319.792 2.755 0 40 DFAB COc1ccc(-c2noc(CCCn3cccn3)n2)cc1OC 69600389 BADQQSGWQDLYSV-UHFFFAOYSA-N 314.345 2.583 0 40 DFAB CCOC[C@@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 71905409 DAOSKGOFMABGLY-LSDHHAIUSA-N 324.490 2.544 0 40 DFAB CS(=O)(=O)CCN1CCC[C@H]1Cc1cccc2ccccc12 83984645 NRIDNUKZBFPYSQ-KRWDZBQOSA-N 317.454 2.891 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2ccoc2C)c(C)nn1C 72234283 VECDYCDENJCFGF-ZDUSSCGKSA-N 303.362 2.616 0 40 DFAB CC(C)(C)NC(=O)C[S@](=O)Cc1cc(-c2ccccc2)no1 89643083 QMSUHPRHMAJJPS-QFIPXVFZSA-N 320.414 2.505 0 40 DFAB CCCn1c(NC(=O)CCc2cnn(C)c2)nc2ccccc21 28243683 XDHOFODGUFDFPD-UHFFFAOYSA-N 311.389 2.751 0 40 DFAB Cc1ccccc1C(=O)Nc1cc2nc(O)[nH]c2cc1N(C)C 408537201 CRTHVRXPGLDWNG-UHFFFAOYSA-N 310.357 2.895 0 40 DFAB Cc1cccc(Oc2nccnc2C2CCN(CCO)CC2)c1 72361624 ISSBZIDYVYIIDG-UHFFFAOYSA-N 313.401 2.749 0 40 DFAB O=C(N[C@@H]1c2ccccc2CC[C@@H]1N1CCCC1)c1ccon1 521396298 KGUHBVAHWJYCGE-DLBZAZTESA-N 311.385 2.556 0 40 DFAB Cc1cc(C(=O)NCC2CCN(Cc3ccccc3)CC2)no1 38583240 GFPXAEPEPDPNFA-UHFFFAOYSA-N 313.401 2.625 0 40 DFAB CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217710683 RRHNDRIODKLTNU-UHFFFAOYSA-N 320.370 2.617 0 40 DFAB CC1CCC(NC(=O)COc2ncnc3sccc23)CC1 39502072 LDIZCGQERGPKHE-UHFFFAOYSA-N 305.403 2.765 0 40 DFAB O=C(Cc1ccccc1)N1C[C@@H]2CCCCN(CC3CC3)[C@@H]2C1 72330652 AEISRIYIUGNRRI-RBUKOAKNSA-N 312.457 2.952 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NCCO 79408146 UHJHANOEUGMEIA-UONOGXRCSA-N 300.443 2.525 0 40 DFAB O=C(c1cccnc1)C1CCN(C(=O)c2ccccc2F)CC1 72346683 NLCXYTFCQQZAMV-UHFFFAOYSA-N 312.344 2.956 0 40 DFAB Cc1ccc(C)c(N(C(=O)C[C@H]2C=CS(=O)(=O)C2)C(C)C)c1 69809458 KEERYACTXMJEDR-OAHLLOKOSA-N 321.442 2.993 0 40 DFAB COC(C)(C)C[C@@H](C)NC(=O)N1CCC([C@H]2CCCO2)CC1 187576923 KLCLZXRNULJBOK-UKRRQHHQSA-N 312.454 2.791 0 40 DFAB CCc1cc(NC(N)=S)cc(C)c1I 45889798 SVPRIDLQSOMAOY-UHFFFAOYSA-N 320.199 2.818 0 40 DFAB Cc1ccnc(NCc2cccc(OCC(=O)NC3CC3)c2)c1 195539175 WRRPYZWXJUSRID-UHFFFAOYSA-N 311.385 2.660 0 40 DFAB Cc1c(Br)ccc(NC(=O)NC[C@H](C)CO)c1F 194212533 PCGMHAKUUXJHLI-ZETCQYMHSA-N 319.174 2.647 0 40 DFAB CC(C)(C)OCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 226234878 JONNWICWFRGZKB-ZDUSSCGKSA-N 309.362 2.571 0 40 DFAB Cn1c(Cl)nc2cc(C(=O)NCc3ccccn3)ccc21 222541256 UAMMYNNQPWKOAK-UHFFFAOYSA-N 300.749 2.552 0 40 DFAB O=S(=O)(c1cccnc1)N(Cc1ccccc1)CC(F)F 96451139 MNSOMMZKGKZKTF-UHFFFAOYSA-N 312.341 2.538 0 40 DFAB CC[C@](Br)(C(=O)c1ccccc1)S(=O)(=O)CC 96518701 LRKOVECCYNCYGM-GFCCVEGCSA-N 319.220 2.805 0 40 DFAB CCC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244361 PUQSWEWUPQFEDH-IBGZPJMESA-N 323.396 2.554 0 40 DFAB Cc1cccc(NCc2cccc(NC(=O)Cn3cccn3)c2)n1 97096608 MJMQGGYZXZOZCE-UHFFFAOYSA-N 321.384 2.837 0 40 DFAB Cc1c(C(=O)OC[C@H]2CCCN2C(N)=O)oc2c(C)cccc12 96442200 JDRKZDSYSWVVSO-GFCCVEGCSA-N 316.357 2.750 0 40 DFAB Cc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)o1 96189732 IHDRLXJIEVINLF-MRXNPFEDSA-N 312.413 2.807 0 40 DFAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCOC2(CCCC2)C1 96479784 YRVSYPHJYLGLGS-AWEZNQCLSA-N 318.417 2.678 0 40 DFAB COc1ccc(C(=O)CNC(=O)c2ccc3ccn(C)c3c2)cc1 95480221 JCCSMROCCVVHEF-UHFFFAOYSA-N 322.364 2.800 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)o1 96502103 OAPUZKYNNAVLRX-KGLIPLIRSA-N 322.405 2.834 0 40 DFAB COc1c(C(=O)O)sc(Br)c1Br 96511038 KRPZDVMWQRIHOA-UHFFFAOYSA-N 315.970 2.980 0 40 DFAB O=C(c1cc[nH]n1)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257271466 MYLHRLNBPSYQOX-IKGGRYGDSA-N 310.401 2.508 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(C)cc(N2CCC(C)CC2)n1 257291375 QGRGSFQRALPXKD-HNNXBMFYSA-N 302.422 2.705 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 257219478 DGXHRSXHNUADMF-CYBMUJFWSA-N 317.364 2.642 0 40 DFAB CCCn1nccc1-c1ncccc1C[C@H]1CCN(C(C)=O)C1 257219326 DGKIETFSGZHOLC-OAHLLOKOSA-N 312.417 2.766 0 40 DFAB c1cncc(Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1 96124530 VIYKRJYZYMZHDR-UHFFFAOYSA-N 321.369 2.924 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccco1)OC 96384419 OPDRDTSPQHVVEQ-ZNFPLGDCSA-N 301.342 2.805 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1c(F)cccc1F 30317403 FXROMDKYWSKPGM-UHFFFAOYSA-N 316.351 2.753 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1 71856968 JEWKCPQCUPJSDJ-MLGOLLRUSA-N 303.406 2.975 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 71831253 STOGNHJLXYSUAT-LBPRGKRZSA-N 322.748 2.891 0 40 DFAB CCCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN1 953015715 DMFXEKQWNRUBIV-FQEVSTJZSA-N 323.440 2.940 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)NCCCn2cccn2)c1 75140220 SAOOSPMOJMWOCA-UHFFFAOYSA-N 312.417 2.612 0 40 DFAB CS(=O)(=O)CCn1nc(-c2ccc(Cl)s2)oc1=S 76082617 PLNOMLKOPLOIGU-UHFFFAOYSA-N 324.836 2.632 0 40 DFAB Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)nc(O)n1 95462358 XKXJSDYDBZTEPE-UHFFFAOYSA-N 313.235 2.642 0 40 DFAB COc1ccc(C(=O)NCCSc2ccccn2)cc1OC 5335501 PZDWUZZJWGRVEG-UHFFFAOYSA-N 318.398 2.621 0 40 DFAB CO[C@@H]1CN(Cc2ccncc2)C[C@]12C[C@@H](c1ccccc1)CO2 643587687 JOLSNFYIDMNPRR-VAMGGRTRSA-N 324.424 2.855 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccccc1F 2663413 IRNDCSAPGMEUML-LLVKDONJSA-N 302.305 2.787 0 40 DFAB COc1cccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 5355473 WUVWCLVTOQRFPQ-NSHDSACASA-N 324.336 2.850 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1 5827872 SIHLVIAJQKMOPO-UHFFFAOYSA-N 315.354 2.566 0 40 DFAB CCC(=O)Nc1ccc(C2=NN=C(NC3CC3)SC2)cc1 5981372 KYGTYCUVNGOCRF-UHFFFAOYSA-N 302.403 2.594 0 40 DFAB Cc1ccc(C)c(Cn2c(CCNC=O)nc3ccccc32)c1 7546742 GGVGMZNXVAITHP-UHFFFAOYSA-N 307.397 2.990 0 40 DFAB CN=c1[nH]c([C@H]2CCCN(Cc3ccccc3)C2)cc2ccnn12 2037838228 ACSRWPTVAMLWEN-INIZCTEOSA-N 321.428 2.573 0 40 DFAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCCCC1 421863 YCAPMTMZFIDYLR-UHFFFAOYSA-N 321.377 2.980 0 40 DFAB CN(C)c1ccc(N[C@@H]2CC(=O)N(C3CCCCC3)C2=O)cc1 6143688 MXDZUSPAJFJVKI-MRXNPFEDSA-N 315.417 2.625 0 40 DFAB CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cccc(Cl)c1 2055729680 UDYFTWYKMMUJGC-IMJJTQAJSA-N 323.820 2.996 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)N[C@H](C)CCc1ccccc1)C(=O)O 2152631 LLAGBWVHCRZXMQ-NFAWXSAZSA-N 306.406 2.806 0 40 DFAB biogenic C[C]1NC(c2ccccc2)=C(C(=O)NCCn2cccc2)S1 886024611 PTESJHUJUHOUDI-UHFFFAOYSA-N 312.418 2.819 0 40 DFAB COC(=O)COc1cc(C(=O)OC2CCCCC2)ccc1OC 40140124 LKQLHGAVQYOZOP-UHFFFAOYSA-N 322.357 2.737 0 40 DFAB Cc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1 40496757 HIKFEHKZPLVQGS-AWEZNQCLSA-N 317.410 2.937 0 40 DFAB COCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 31903390 CAWOQGDZPRORPH-UHFFFAOYSA-N 313.357 2.548 0 40 DFAB CCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 365863 IMOKNDGPFKNIDQ-KRWDZBQOSA-N 315.394 2.965 0 40 DFAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2nc(C)sc2c1 32981811 VGVLKQSWFSFOPK-OQPBUACISA-N 320.418 2.626 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1CC(c2ccccc2)=NO1 33164336 FDPAPQCBIGDZSO-QBHGPPCGSA-N 309.369 2.631 0 40 DFAB CCc1nc(SCC(N)=O)c2c3c(sc2n1)C[C@@H](C)CC3 412919 DXJTVSSBQMFRAJ-QMMMGPOBSA-N 321.471 2.956 0 40 DFAB Cc1cc(C)n(-c2ccc(NCCNc3ccccc3)nn2)n1 77981321 SPCSQBFELNUBPT-UHFFFAOYSA-N 308.389 2.803 0 40 DFAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(F)cc1F 2663410 KUSDRRVFWUOYSY-LLVKDONJSA-N 320.295 2.926 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccccc1 3151071 DPDLGYVRRQOJPK-UHFFFAOYSA-N 316.788 2.946 0 40 DFAB Cc1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1 4388447 LTYJZKVRVKNLKU-UHFFFAOYSA-N 316.338 2.993 0 40 DFAB CN1CCN(C(=O)CCc2nccs2)[C@H](c2ccccc2)C1 55158465 NRMICHYNDZAZJS-HNNXBMFYSA-N 315.442 2.591 0 40 DFAB CC[C@H]1C(=O)NCCN1C(=O)C(c1ccccc1)c1ccccc1 106689782 BCHIXKXWFGNNJE-KRWDZBQOSA-N 322.408 2.556 0 40 DFAB CC(C)Cn1ncc(C(=O)Nc2ncccc2O)c1C(F)F 97085039 VCHGYLFHXQIZJF-UHFFFAOYSA-N 310.304 2.830 0 40 DFAB CCOCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 58783836 GLTYCQRWPBBRQK-UHFFFAOYSA-N 321.446 2.526 0 40 DFAB COc1ccccc1NC(=O)COc1ncnc2ccccc12 3277577 JYKUCIQCAMTOMZ-UHFFFAOYSA-N 309.325 2.656 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)N[C@H](C)C[C@H](O)c2ccco2)C1 108106013 HBTRIUAKEWKKAN-XQHKEYJVSA-N 312.435 2.675 0 40 DFAB O=C(O)CSc1nc(O)c2cc(Cl)cc(Cl)c2n1 57345383 XQRXXWYRMBRBTA-UHFFFAOYSA-N 305.142 2.819 0 40 DFAB O=C(NCCn1cccc1)NC[C@H]1CCO[C@@H]1c1ccccc1 84441502 MPYARROSIOKYJB-IAGOWNOFSA-N 313.401 2.565 0 40 DFAB O=C(c1ccccn1)N1CCN(c2ccccc2Cl)CC1 3298884 FWEXGRBRSZSXNM-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12645151 SLGYEAIBMWITOF-NSHDSACASA-N 310.357 2.604 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1Cc1cc(-c2cccs2)on1 48264643 UULFZDVZDMDCHL-UHFFFAOYSA-N 317.370 2.768 0 40 DFAB CC(C)OC(=O)c1nnc2sc(-c3ccccc3F)nn12 57332548 IDMUSAFEUFPORN-UHFFFAOYSA-N 306.322 2.557 0 40 DFAB CCCN1CCCC[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 58269232 ZGGLNMUQCOPILG-CQSZACIVSA-N 304.438 2.977 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)Cc1ccco1 44955499 QGGRNLHMPFDFHD-ZDUSSCGKSA-N 317.389 2.892 0 40 DFAB O=C(NCCN1CCOCC1)c1ccc(C2CCCCC2)cc1 44999750 CRWBMRSCXGEKNC-UHFFFAOYSA-N 316.445 2.796 0 40 DFAB CC(C)CN(C)c1ccc(C(=O)N[C@H](C)Cn2ccnc2)cc1 58343489 ZGSCYHJDUFEBGO-OAHLLOKOSA-N 314.433 2.794 0 40 DFAB O=C(COC(=O)Cc1c[nH]c2ccccc12)NC1CCCCC1 3340429 XJPUZXQVDBYQMH-UHFFFAOYSA-N 314.385 2.703 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C)N2CCCCC2)cc1 36309789 YGVNEGDLPGDQGQ-QGTPRVQTSA-N 316.445 2.994 0 40 DFAB Fc1ccc(F)c(CNCc2cccnc2-n2cccn2)c1 48326065 CXSMFZAALVACRD-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798793 DFHNUGVBUBEOKJ-UEKVPHQBSA-N 322.355 2.860 0 40 DFAB CN1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 115399564 NNIGSNCRGHICED-UHFFFAOYSA-N 310.191 2.879 0 40 DFAB O=C(OCCCn1cccn1)[C@@H]1C[C@@]12CCOc1ccccc12 95404963 VSTNYEBKJZNWLA-MAUKXSAKSA-N 312.369 2.557 0 40 DFAB c1cncc(CN2CCC(NC[C@H]3Cc4ccccc4O3)CC2)c1 95419697 UAPHBBHOSNAVCF-LJQANCHMSA-N 323.440 2.639 0 40 DFAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 29062362 AYPIXOSXIPDRGM-HNNXBMFYSA-N 322.364 2.978 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OC(F)F 11559053 DWIBWFLVTIANCS-UHFFFAOYSA-N 321.279 2.947 0 40 DFAB Cc1ccc(F)cc1NC(=O)CS(=O)(=O)c1cccs1 11666474 YLCIMXHBQGOWEZ-UHFFFAOYSA-N 313.375 2.608 0 40 DFAB Cc1nc(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)no2)s1 177088038 VOIMCPOYFYFDCF-UHFFFAOYSA-N 315.420 2.846 0 40 DFAB Cc1c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cnn1C(C)(C)C 46490959 NHZNXYFVSWRJOR-GJZGRUSLSA-N 305.422 2.730 0 40 DFAB CCCc1ccc(C(=O)COc2ccc(-n3cnnn3)cc2)cc1 3415621 JBNNUAKLALBPOE-UHFFFAOYSA-N 322.368 2.877 0 40 DFAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1 3513251 LIXXYBSYSNPBKR-LBPRGKRZSA-N 314.341 2.664 0 40 DFAB C[C@]1(CCc2ccc(O)cc2)NC(N)=Nc2nc3ccccc3n21 61172927 NNXCCJYYZIQZHE-SFHVURJKSA-N 321.384 2.597 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cc1 24759566 AVMXWVNTWYSTJI-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB CC(C)c1nc([C@H]2CCCN(C(=O)c3cscn3)C2)no1 72254906 SFWFKAGSOZWUKN-JTQLQIEISA-N 306.391 2.669 0 40 DFAB Cc1cccc(C)c1OCCNC(=O)N1C[C@@H](C)OC(C)(C)C1 65432631 HPZNGXWJQJEOQD-OAHLLOKOSA-N 320.433 2.891 0 40 DFAB Cc1cc(NCCCOc2c(C)cccc2C)n2ncnc2n1 65586677 XTWRCHOXCDHNBY-UHFFFAOYSA-N 311.389 2.931 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 5333412 LGXSSAMPGVJQCQ-GFCCVEGCSA-N 319.361 2.827 0 40 DFAB Cc1nn(CN(C)Cc2ccc(F)cc2)c(=O)c2ccccc12 14161932 NMDLVUIMOYOHTC-UHFFFAOYSA-N 311.360 2.934 0 40 DFAB CC(=O)Nc1nc(COC(=O)c2cccc(N(C)C)c2)cs1 9322523 FSMJCWFFRPLMCI-UHFFFAOYSA-N 319.386 2.525 0 40 DFAB CC(C)(C)OCc1cccc(CNC(=O)NC[C@@H]2CCCO2)c1 65610237 FIAHDTSPFLRLMC-INIZCTEOSA-N 320.433 2.980 0 40 DFAB Cc1ccc(C2=CCN(c3ncnc4c3cnn4C)CC2)cc1 14279589 SPNJFSBQNVAQGT-UHFFFAOYSA-N 305.385 2.965 0 40 DFAB CCN(CC)CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1 5470909 BJBJLYQOXHUQGU-UHFFFAOYSA-N 321.808 2.953 0 40 DFAB C[C@H](CCN(C)C)NC(=O)Nc1nc(-c2ccccc2)ns1 65983705 FRZUZIHFILRRJM-LLVKDONJSA-N 319.434 2.667 0 40 DFAB COc1ccc2nc(C)c(C(=O)NCc3ccccn3)cc2c1 9314256 YOUNYVHZQKEWAV-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB CCCOc1cccc(C(=O)NC(=S)Nc2cccnc2)c1 4703946 OBHLAKKIFPMYOW-UHFFFAOYSA-N 315.398 2.997 0 40 DFAB CC(C)N1C[C@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408708982 VYLAKYJDRKNTGK-WLYUNCDWSA-N 308.466 2.964 0 40 DFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2Cc2ccccc2)CN1 19735826 FUESOXNHAYXNFB-SJORKVTESA-N 311.381 2.560 0 40 DFAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cnccn1 96223633 NONWWQRFPRQECY-AWEZNQCLSA-N 310.332 2.904 0 40 DFAB CCN(C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1)C(C)C 97141721 SYTDQLAKSWANPP-KBPBESRZSA-N 300.468 2.823 0 40 DFAB CCOc1cccc2c1CC[C@@H]2NC(=O)N[C@@H]1CCCC[C@@H]1O 71799667 FLDFEPPZKHWMCY-XHSDSOJGSA-N 318.417 2.675 0 40 DFAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1Br 19828977 OPOKXEBKJHJFCF-UHFFFAOYSA-N 322.224 2.535 0 40 DFAB CCc1ccccc1CNC(=O)NCCc1c(C)noc1C 96419923 QRXWGLQSTONMLR-UHFFFAOYSA-N 301.390 2.896 0 40 DFAB CCN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2cc1O 68444077 DHMGEYNSUJULTR-UHFFFAOYSA-N 309.369 2.941 0 40 DFAB Cc1ccc(OCc2nc(CC(=O)NC3CC3)cs2)cc1 16199799 MNGDMQLTWSXKGE-UHFFFAOYSA-N 302.399 2.852 0 40 DFAB CN1CCN(C(=O)c2ccc3nccn3c2)c2cc(F)ccc21 81073797 KCHHFZQIALDJST-UHFFFAOYSA-N 310.332 2.570 0 40 DFAB CCOC[C@H]1CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)C1 81434751 AVGPBFUQCZEYDG-JTQLQIEISA-N 306.387 2.989 0 40 DFAB CCC(=O)NCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 69350280 KXHQYEOGOYMUSQ-VIFPVBQESA-N 317.216 2.567 0 40 DFAB C[C@@H](C(=O)Nc1cc(CC2CCCCC2)n[nH]1)n1ccnc1 71856787 ZCFMAOUTYYSFQM-LBPRGKRZSA-N 301.394 2.929 0 40 DFAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)nc3)ccc21 71803725 WTCKPVSTMZOEHH-UHFFFAOYSA-N 315.760 2.896 0 40 DFAB O=C(Nc1ccc2[nH]ccc2c1)NC1CCC2(CC1)OCCO2 71803332 LFMKFQRCXNSYRO-UHFFFAOYSA-N 315.373 2.975 0 40 DFAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 69654342 BRXVBGQOWQUPMF-GOSISDBHSA-N 318.376 2.666 0 40 DFAB CN(C)CCN(C)C(=O)NCCc1csc2ccccc12 83851007 BQBUBGLVZVMSTP-UHFFFAOYSA-N 305.447 2.647 0 40 DFAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CNC(=O)c1ccsc1 71908586 KQFUIHHUTAIFIP-BDJLRTHQSA-N 314.410 2.528 0 40 DFAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)c2ccccc2)C1=O 8886288 OEMNSAXPHLHZPV-QGZVFWFLSA-N 302.374 2.616 0 40 DFAB CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2N(C)C)C1 71921551 XHBIMZRSGVMBSF-INIZCTEOSA-N 317.477 2.737 0 40 DFAB Cn1c(CN2CCO[C@@H](c3nccs3)C2)nc2ccccc21 97200107 SBHAKZXKDLVNJW-CQSZACIVSA-N 314.414 2.603 0 40 DFAB Nc1ncnc(NC[C@@H]2CCN(c3ccccc3)C2)c1Cl 97238105 LTPGVVVEHWNTFX-NSHDSACASA-N 303.797 2.651 0 40 DFAB CCc1csc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)n1 95416961 BZWYWOQJAYFVHO-CYBMUJFWSA-N 318.402 2.786 0 40 DFAB CC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@@H](C)[C@@H]2C)c1 95454895 YRHCIQBVQWIKRE-STQMWFEESA-N 319.405 2.922 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cc(Cl)ccn1 95988427 HHVLHOMNHMRDCE-SECBINFHSA-N 306.797 2.885 0 40 DFAB Cc1nc(COC(=O)c2cccc(C)c2Br)n[nH]1 95976381 BKMSBPOVDJEKGF-UHFFFAOYSA-N 310.151 2.541 0 40 DFAB CC(C)[C@](C)(NC(=O)c1csc(-c2ccoc2)n1)C(=O)O 95989676 GXQQNWINVWBKEO-AWEZNQCLSA-N 308.359 2.632 0 40 DFAB Cc1cc(N)nc(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)n1 74341191 HRXBBLCURJAPEA-TZMCWYRMSA-N 322.478 2.885 0 40 DFAB Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1S(C)(=O)=O 89312763 ANPAVCWWDSRLML-BETUJISGSA-N 322.430 2.662 0 40 DFAB Cc1n[nH]c(C)c1CCOC(=O)c1cnn(Cc2ccccc2)c1 89489767 WASXKPKTSUOUCL-UHFFFAOYSA-N 324.384 2.671 0 40 DFAB NC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 75138495 DWAYVFLBXFXBFK-KRWDZBQOSA-N 320.392 2.795 0 40 DFAB NC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 89857675 HZNRWCOOPOMXDQ-QGZVFWFLSA-N 321.380 2.739 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1cc2ccccc2oc1=O 21292333 KQOGTYQPKIPQTL-UHFFFAOYSA-N 313.338 2.774 0 40 DFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Cl 408728686 RKHFIQGLZYJCMT-WRFANHODSA-N 317.772 2.871 0 40 DFAB COc1ccc(C)cc1NC(=O)CNC(=O)Oc1ccccc1 408998708 BVEWXEHIPIRZHA-UHFFFAOYSA-N 314.341 2.731 0 40 DFAB CCCc1nc(C)sc1C(=O)NCc1c(C)nn(C)c1C 72403341 XTALPJZRDSKGKC-UHFFFAOYSA-N 306.435 2.684 0 40 DFAB C[C@H](NC1(CNC(=O)[C@H]2C[C@H]2C)CCOCC1)c1ccccc1 79096246 SYOBOMBPOZRWFH-VYDXJSESSA-N 316.445 2.659 0 40 DFAB CC[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1nccs1 187198081 DOAGIXZLBQHBSF-GFCCVEGCSA-N 310.467 2.720 0 40 DFAB Cn1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)ccc1=O 78933198 IIVPIEVESFGYPA-INIZCTEOSA-N 311.385 2.538 0 40 DFAB O=C(NCCc1cc2ccc(F)cc2[nH]c1=O)c1ccccc1 49597372 PSMCBVBEQUMOLY-UHFFFAOYSA-N 310.328 2.640 0 40 DFAB O[C@H](CN[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 195553850 CQCQYPJKHSYXKG-MOPGFXCFSA-N 305.381 2.889 0 40 DFAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CNCCO1 195543302 IMTLZRSSKQPIPH-INIZCTEOSA-N 316.332 2.545 0 40 DFAB CCOc1ccc([C@H](C)NC(=O)N2CC[C@@H](CN(C)C)C2)cc1 195570340 VHYBENLBCSKTKF-GJZGRUSLSA-N 319.449 2.739 0 40 DFAB CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)CCc1ccc(O)cc1 195566278 ZCPOLPYEDLYQGE-XKQJLSEDSA-N 304.434 2.608 0 40 DFAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCCC1 41184776 HFQCWRFOYVSDTR-UHFFFAOYSA-N 305.765 2.945 0 40 DFAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC 222934136 JMRIHRZNXPVTAH-GFCCVEGCSA-N 310.825 2.993 0 40 DFAB COC[C@@H]1CN(Cc2ccccc2Cl)Cc2ncn(C)c21 96068611 GNHUUNBLRYSAOC-ZDUSSCGKSA-N 305.809 2.819 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CCC[C@@H](n2cccn2)C1 96503056 BTEFMIKUYIDUJD-CQSZACIVSA-N 314.389 2.685 0 40 DFAB C[C@H](NC(=O)NC1CC=CC1)c1ccccc1N1CCOCC1 95414396 NQIPSNRSLHDTIW-AWEZNQCLSA-N 315.417 2.602 0 40 DFAB Cc1ccc(CCNC(=O)N[C@H](C)CCc2cccn2C)cn1 96440085 TZJQADHEQUPUGD-OAHLLOKOSA-N 314.433 2.592 0 40 DFAB O=C(OCCc1cccnc1)c1cc2cc(F)ccc2oc1=O 96441968 RSDOLYHNNHAVAA-UHFFFAOYSA-N 313.284 2.727 0 40 DFAB C[C@H](CN1CCOCC1)N1CCC(OC2CCCCC2)CC1 91552239 SJAKEICQKBJNEQ-MRXNPFEDSA-N 310.482 2.521 0 40 DFAB O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCc2ccc(O)cc2C1 1595762476 OEJWCYQCGIAJRF-UHFFFAOYSA-N 319.364 2.981 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc(O)cc3O2)C1 96341544 VHMJMPCNCFLZLH-QGZVFWFLSA-N 319.357 2.737 0 40 DFAB CN(C)c1nnc(SC[C@H](O)c2ccc(F)c(F)c2)s1 97371263 CKRZTYARVOHFOA-JTQLQIEISA-N 317.386 2.708 0 40 DFAB O=C(NCc1ccc2ncccc2c1)N[C@@H]1C[C@@H]2OCCC[C@H]21 248708336 BMLMLNBHUTWMLH-UAGQMJEPSA-N 311.385 2.602 0 40 DFAB Cc1nccc(N2CCC3(CC2)C[C@H](Cc2ccccn2)CO3)n1 257230322 GBSYYSFEXHGVKS-INIZCTEOSA-N 324.428 2.798 0 40 DFAB Cc1cc([C@H]2CN(Cc3cccc(F)c3F)CCO2)nc(C)n1 257286245 PKVZGPJNCISSHR-MRXNPFEDSA-N 319.355 2.945 0 40 DFAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cscn2)ccn1 257318950 VQASOSPYZVVCBH-OAHLLOKOSA-N 316.430 2.577 0 40 DFAB CCOCC(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257252312 JUIVAYLQKLMWSW-GUTXKFCHSA-N 323.820 2.992 0 40 DFAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1nc2ccccc2s1 96123125 XXHHBJXFDJNTNK-NSHDSACASA-N 314.370 2.707 0 40 DFAB CC(C)(C)OC(=O)N(CCC(=O)O)Cc1ccc2c(c1)OCO2 582468945 QAUSYBGOFHBEPI-UHFFFAOYSA-N 323.345 2.627 0 40 DFAB Cc1ccc(CCCCC(=O)OC[C@@H]2CCCN2C(N)=O)cc1 70040382 CMDLNPYOZVAPFA-INIZCTEOSA-N 318.417 2.794 0 40 DFAB Cc1cccc(C)c1OCCNc1cncc(-n2cccn2)n1 76798794 MZOVUDUTPGFMIS-UHFFFAOYSA-N 309.373 2.770 0 40 DFAB CCCc1nc(C)c(C(=O)N2CCOc3ncccc32)s1 89960471 ISOLGDQVAMHCHA-UHFFFAOYSA-N 303.387 2.838 0 40 DFAB CS(=O)(=O)c1ccc(NCCC[C@H]2CCCC[C@@H]2O)cc1 96009746 YOBKRECGCJMJNL-CJNGLKHVSA-N 311.447 2.833 0 40 DFAB CN(CCC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 97018597 NCDRJWZUQHSYII-MNOVXSKESA-N 315.291 2.742 0 40 DFAB O=C1[C@@H](Nc2cc(F)cc(Br)c2)CCN1C1CC1 95409188 OWMURLIMBKMXSZ-LBPRGKRZSA-N 313.170 2.763 0 40 DFAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)C[C@@H]1c1ccccc1 15086148 NWEADRPFLOCGNK-DDUZABMNSA-N 304.386 2.842 0 40 DFAB Cc1cccc(-c2nn3c(O)cc(Cn4cccn4)nc3c2C)c1 19235277 RFNGZHGOBKAQFQ-UHFFFAOYSA-N 319.368 2.964 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C[C@H](C)O1 226301053 FHPYEFODRWTCTD-RYUDHWBXSA-N 300.358 2.778 0 40 DFAB CCN1CCCCN[C@@H](C(C)C)COc2ccccc2C1=O 643560888 GJXDKSBZNWOWLC-MRXNPFEDSA-N 304.434 2.936 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)CC1CCCCC1 8931606 ISQBTOZCSMYPSA-UHFFFAOYSA-N 305.403 2.973 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1889179463 ABMLKKCDLVXVDG-HUUCEWRRSA-N 323.440 2.653 0 40 DFAB CCn1cc(Br)c(C(=O)NC2CCCCC2)n1 28230381 BWMFMGYYAMAHFA-UHFFFAOYSA-N 300.200 2.728 0 40 DFAB CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@@H](C)O 90699 LJIJSXULDIAZRF-LLVKDONJSA-N 318.373 2.603 0 40 DFAB CN1C(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2C1=O 40457506 NNGAPSAGRYSQGQ-UHFFFAOYSA-N 320.348 2.505 0 40 DFAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)CN1CCSC1=O 40541226 DXVXETDWILHVQY-GFCCVEGCSA-N 322.430 2.820 0 40 DFAB Cc1ccc(-c2cc(Cn3nnc4ccccc4c3=O)on2)cc1 32327281 WQZLQZQHBPFWAI-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB CC(C)Oc1cccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 101709427 FCTXZQYSSXIFOS-ZDUSSCGKSA-N 315.369 2.667 0 40 DFAB Cc1cccn2c(=O)cc(CN3CCc4ccccc4C3)nc12 32510361 GYZYHBDWWMLURU-UHFFFAOYSA-N 305.381 2.561 0 40 DFAB C[C@@H](Cc1ccccc1)N(C)CN1C(=O)c2ccccc2C1=O 21486709 UFVKVHHVJCRZAD-AWEZNQCLSA-N 308.381 2.803 0 40 DFAB O=C1C[C@@H](c2ccccc2)N(Cc2nc3ccccc3o2)CCN1 52834541 GTFUHNJUUMGWND-INIZCTEOSA-N 321.380 2.891 0 40 DFAB COCCOc1ccccc1C(=O)N1CCc2sccc2C1 53026689 UJOYNAUTVFLVDQ-UHFFFAOYSA-N 317.410 2.972 0 40 DFAB CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 526613 DZUXXSSCPNMVSF-UHFFFAOYSA-N 311.429 2.785 0 40 DFAB biogenic CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C2 71185565 IHNLZFZTBBVUGL-JKSUJKDBSA-N 324.428 2.603 0 40 DFAB Cn1ncc2cc(-c3[nH]c(C=O)nc3Br)ccc21 1857794688 HGSOGQPVZNLHMA-UHFFFAOYSA-N 305.135 2.538 0 40 DFAB COC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C 132422 APMHBURQBHWOIE-UHFFFAOYSA-N 314.366 2.601 0 40 DFAB C[C@@H](C(=O)O)n1cnc2scc(-c3ccccc3)c2c1=O 144772 URTJVXCOJIPVAC-VIFPVBQESA-N 300.339 2.771 0 40 DFAB Cc1ccccc1NC(=O)C[C@@H](NCc1ccccc1)C(=O)O 195884 OAXVMXHRCPKDIC-MRXNPFEDSA-N 312.369 2.567 0 40 DFAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)[C@@H]1CCCO1 250930 WDSXTGDPLLZJLV-MFKMUULPSA-N 311.765 2.857 0 40 DFAB Nc1c(N2CCC(c3ccccc3)CC2)ncnc1-n1cccn1 79109334 ZZZWUPCHXXDQOF-UHFFFAOYSA-N 320.400 2.629 0 40 DFAB CCCCOCCOCCOC(=O)C(Cl)(Cl)Cl 1682293 AZPYYJUMRUGYJM-UHFFFAOYSA-N 307.601 2.733 0 40 DFAB CN(Cc1nc(O)c2cnn(C)c2n1)[C@@H]1CCCc2ccccc21 54417778 SGUXPJLBLDXYDT-OAHLLOKOSA-N 323.400 2.578 0 40 DFAB CO[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 6403133 ASGRTYKWASRDOG-GGXPGOJBSA-N 324.332 2.708 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3ccc(CO)cc32)cc1 34404571 WINGCGFHGFKGMB-UHFFFAOYSA-N 301.367 2.679 0 40 DFAB COc1cccc([C@@H](Cc2ccccc2)NCCO)c1OC 6485073 XIFMCGRBGOQUPT-MRXNPFEDSA-N 301.386 2.570 0 40 DFAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 7533654 OBTXUAVZODDJTK-SECBINFHSA-N 319.338 2.661 0 40 DFAB COc1ccc(CCC(=O)NCCc2ccccc2)cc1OC 7609073 FKSWUDIMZOBQGU-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB CC(C)CCNC(=O)NCc1cccc(NC(=O)C2CC2)c1 24986531 LNWMYDOCJQLEGP-UHFFFAOYSA-N 303.406 2.880 0 40 DFAB CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(OC)nc2)cc1 12540399 LZVWKRKAKVTYBZ-GFCCVEGCSA-N 315.373 2.928 0 40 DFAB Cc1sc2nc(-c3ccc(-n4cccn4)nc3)[nH]c(=O)c2c1C 55492846 JINDKIVHJRLMIF-UHFFFAOYSA-N 323.381 2.849 0 40 DFAB COC(=O)C1=C(N)c2c(F)cccc2[C@](C#N)(c2ccccc2)C1 1400288 MAECOVYTCGXEPH-LJQANCHMSA-N 322.339 2.882 0 40 DFAB Cc1[nH]c2ccccc2c1C1=CN2CCS(=O)(=O)N=C2S1 3272800 KEJDGVUGSFBSTF-UHFFFAOYSA-N 319.411 2.523 0 40 DFAB CCC(CC)(NC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(N)=O 58160353 RGNHPWDGBCQCAD-SNVBAGLBSA-N 308.447 2.647 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2cccs2)c1C 35388497 YOCWWKRELWIZHR-UHFFFAOYSA-N 320.414 2.794 0 40 DFAB COc1ccccc1CNC(=O)[C@H](OC[C@H]1CCCO1)C(C)C 58029649 RKRLWYMIWLAGTB-NVXWUHKLSA-N 321.417 2.532 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2 10042874 KATKBXBRQUTJRD-UHFFFAOYSA-N 315.461 2.912 0 40 DFAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)NC1CCCCC1 59843284 OBNAUZPZDQRNGL-UHFFFAOYSA-N 302.353 2.777 0 40 DFAB C[C@H]1CCc2c(C(=O)N(C)Cc3cnn(C)c3)csc2C1 44896350 IQGOQGQAZBXJBY-NSHDSACASA-N 303.431 2.879 0 40 DFAB Cc1nc(NC(=O)COCC2CC2)sc1-c1ccccn1 48290476 AYNCBJMMXNDVMB-UHFFFAOYSA-N 303.387 2.879 0 40 DFAB C[C@@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)N1CCCC1 58281506 XCMQNQSPTCFVFB-SECBINFHSA-N 321.377 2.578 0 40 DFAB O=C(Cc1ccsc1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1ccccn1 107266130 IBKRKDYTIQGISO-JKIFEVAISA-N 314.410 2.754 0 40 DFAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)CC1 10875054 OTVFDKMFRQWVNW-NSHDSACASA-N 324.808 2.726 0 40 DFAB O=C1NCCCC[C@@H]1Sc1nccn1-c1cccc(F)c1 10989603 AHAVHMFGHNQQSR-ZDUSSCGKSA-N 305.378 2.772 0 40 DFAB CCCN1C(=O)S[C@@H](CC(=O)Nc2ccccc2C)C1=O 2352062 RDJSVOYBFYVOMJ-LBPRGKRZSA-N 306.387 2.798 0 40 DFAB O=C1NC2(CCCCCCC2)C(=O)N1C[C@@H](O)c1ccccc1 3324288 PLRLQKQOWILZHA-OAHLLOKOSA-N 316.401 2.755 0 40 DFAB CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C 36841336 UZDUQYQXYAEWKX-IUODEOHRSA-N 308.397 2.741 0 40 DFAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 53646014 MAYGNFIMECYKBZ-LBPRGKRZSA-N 324.446 2.816 0 40 DFAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCCO1 61284541 PQGOULMBIUNKNF-SFHVURJKSA-N 321.380 2.821 0 40 DFAB Cc1nc2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2nc1C 71287165 GZRNXWXIRGVGBZ-UONOGXRCSA-N 313.357 2.542 0 40 DFAB CCc1nn(C)cc1CNC(=O)NC[C@@H](C)c1ccsc1 93128819 BHNFKRNQZGWJGK-LLVKDONJSA-N 306.435 2.647 0 40 DFAB Fc1cc2nc(-c3cnc(N4CCCC4)nc3)[nH]c2cc1F 48878297 HJQNGGBRWYAXGQ-UHFFFAOYSA-N 301.300 2.898 0 40 DFAB CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 9154697 BKRFBYGSJYXLIT-LBPRGKRZSA-N 309.431 2.747 0 40 DFAB C[C@@H]1CC(C)(C)N(C(=O)[C@@H](C)S(C)(=O)=O)c2ccccc21 97232403 MHKGFIAMPOAJJW-VXGBXAGGSA-N 309.431 2.739 0 40 DFAB CC(C)c1nc(CN2CCc3ncnc(N(C)C)c3C2)cs1 97202568 PQOJHPIZQUTTEW-UHFFFAOYSA-N 317.462 2.681 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CO)CC1 97228453 VDCVLHXHQHGTHK-ZBFHGGJFSA-N 310.482 2.554 0 40 DFAB COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1)CC3 5245172 AXAPAWBTUZIWIQ-UHFFFAOYSA-N 319.364 2.951 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 9314587 CAUKLNQYYYDSHL-UHFFFAOYSA-N 318.760 2.961 0 40 DFAB CC(C)Nc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1 14075375 KRCVXWUCGVIXFA-MRVPVSSYSA-N 302.469 2.754 0 40 DFAB O=C1OC2(CCCCC2)OC(O)=C1[C@H]1NCCc2ccccc21 5348603 XGGGHWHZQTZTRR-HNNXBMFYSA-N 315.369 2.877 0 40 DFAB CCc1ccc(C(=O)Cn2cnc3ccsc3c2=O)s1 9364208 DCTCBIUBUNDWGC-UHFFFAOYSA-N 304.396 2.965 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccccc2O)C[C@@H](c2ccccc2)O1 65614004 LUKFVSFVLUUJOE-KSSFIOAISA-N 311.381 2.923 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)Nc1ccccc1F 9454255 ZUUMRABUQKFMFF-UHFFFAOYSA-N 316.332 2.593 0 40 DFAB Cc1cccc(OCC(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4851970 XVHUWITTYNNLKB-UHFFFAOYSA-N 324.336 2.858 0 40 DFAB CCN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1 9469658 ZQIACONZMKNEKB-INIZCTEOSA-N 309.369 2.862 0 40 DFAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1cccc2c1OCCO2 67055295 GHJBNOXVVVRMHQ-VXGBXAGGSA-N 313.357 2.654 0 40 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225978592 UXKVHLJFMZVLEC-UHFFFAOYSA-N 324.764 2.897 0 40 DFAB S=C(NCc1nc(-c2ccccc2)no1)Nc1ccncc1 225814188 PKAUMIJPXUYBQU-UHFFFAOYSA-N 311.370 2.618 0 40 DFAB CC(=O)Nc1nc(CN[C@@H](C)[C@H]2COc3ccccc32)cs1 97374669 DNGHYVIICUKTTL-IINYFYTJSA-N 317.414 2.756 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCCCC3)CC(=O)N2C)cc1 96181374 ZPGAPTGZZGIRDU-AEFFLSMTSA-N 314.429 2.917 0 40 DFAB COC(=O)c1csc(NC(=O)Cc2noc3ccccc23)c1 96473040 WKIFXLIHCUDSNC-UHFFFAOYSA-N 316.338 2.857 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3nccs3)CC(=O)N2C)cc1 96181352 DKFISPOGYSNHQZ-JSGCOSHPSA-N 315.398 2.610 0 40 DFAB CN(Cc1ccc(F)cc1C(F)(F)F)Cc1ncnn1C 93811051 KNDXGYQQMYYHPX-UHFFFAOYSA-N 302.275 2.605 0 40 DFAB Cc1cnn(CCCNC(=O)[C@@H](C)OC2CCCCCC2)c1 95415051 SQLGNSLFVJJWFM-OAHLLOKOSA-N 307.438 2.826 0 40 DFAB CC(=O)NCCc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1 92752416 YZCJPJYWDJTWMH-KGLIPLIRSA-N 314.433 2.511 0 40 DFAB OCc1cc(I)ccc1C(F)(F)F 238722654 FIBOOUCFALSAIR-UHFFFAOYSA-N 302.033 2.802 0 40 DFAB COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1OC 95533886 ZWANJNKRQQUHLA-MRXNPFEDSA-N 324.384 2.845 0 40 DFAB Cn1ccnc1C[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1 97236844 GJYZAZFFKAOFCP-CYBMUJFWSA-N 316.474 2.820 0 40 DFAB COc1cccc2c1CC[C@H]2NC(=O)NCc1cnc(C)s1 96469887 DGHDCEBPZIGITN-CQSZACIVSA-N 317.414 2.947 0 40 DFAB C1CCC(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)C1 247967126 SREWQWBYEPGKQH-QGZVFWFLSA-N 309.450 2.606 0 40 DFAB CO[C@@H]1CSC2(C1)CN(C(=O)c1ccc3ncccc3c1)C2 247836743 JIPUMUQQAGRABF-AWEZNQCLSA-N 314.410 2.581 0 40 DFAB CC(=O)N1CCC[C@@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 257300913 RWFCDIZTBYWJOD-CQSZACIVSA-N 313.405 2.647 0 40 DFAB C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1COc2ccccc21 252487579 ZDPPWDPMVITCGE-SGMGOOAPSA-N 314.351 2.777 0 40 DFAB CC(=O)N1CCN(Cc2cscn2)C[C@@H]1c1ccccc1 257303368 SGXDKSCOZJDPKK-MRXNPFEDSA-N 301.415 2.549 0 40 DFAB O=C(c1ccnnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257305296 SPIABAXBVBHKIT-CQSZACIVSA-N 318.380 2.730 0 40 DFAB C[C@@H](CNC(=O)C(=O)NCCCc1ccccc1)c1ccccc1 298103617 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CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 10063803 FJAXKCXAOVYEJB-UHFFFAOYSA-N 316.382 2.544 0 40 DFAB Cc1cc(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)no1 1775970138 CTWVVHQQYMODHL-UHFFFAOYSA-N 322.368 2.907 0 40 DFAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1C 101277665 ABXWECWQIVEBPR-HOTGVXAUSA-N 320.352 2.801 0 40 DFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1nccs1)[C@H]2C(=O)O 102037788 POCGGORPSIQSJX-IQIPOGNMSA-N 306.387 2.775 0 40 DFAB O=C(NCc1cc(Br)ccc1F)C1CCOCC1 41064897 KIYSKDGIPITELF-UHFFFAOYSA-N 316.170 2.631 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 32899897 OOOYBQHRYZEWPJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CC1(C)SC(=S)N(CCc2ccccc2F)[C@@H]1NO 496216 KCWBQBUWEHXMBC-NSHDSACASA-N 300.424 2.785 0 40 DFAB CCc1ccc(OC)c(S(=O)(=O)n2ccnc2C(C)C)c1 9061881 GZLSUOXVRJJEBK-UHFFFAOYSA-N 308.403 2.815 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 47533357 DXZZRJZISALRBP-CYBMUJFWSA-N 308.422 2.858 0 40 DFAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c1 248989 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307.353 2.537 0 40 DFAB Cn1cc(CCCC(=O)N[C@@H]2CCCOC2)c2ccccc21 12148332 VOIIMNQFCKWTIP-OAHLLOKOSA-N 300.402 2.796 0 40 DFAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 12599556 IDJLEPWAHMWKGU-HEHGZKQESA-N 319.401 2.793 0 40 DFAB COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1ccc(C)cc1 12650138 UKHNGZFSBULVPW-CQSZACIVSA-N 307.390 2.851 0 40 DFAB CC(=O)c1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(C)c1 12816995 CSRLWICMRMTRLI-UHFFFAOYSA-N 322.267 2.802 0 40 DFAB COc1ccc(C(=O)N(CCC(=O)O)Cc2ccccc2)cc1 13428961 UPHPESJWTGASEU-UHFFFAOYSA-N 313.353 2.812 0 40 DFAB Cc1nn2c(nc(NCCN(C)C)c3ccccc32)c1Cl 14240172 UNIPHIRNCKTQMB-UHFFFAOYSA-N 303.797 2.818 0 40 DFAB CC(=O)N[C@@H](C(=O)NCc1ccc(Cl)cc1)C1CCCC1 16467404 ATLVZLNHDFSRIF-OAHLLOKOSA-N 308.809 2.651 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccnc1 16499641 IMKPKZJPDGGNHY-QGZVFWFLSA-N 307.353 2.984 0 40 DFAB CN(C)CCCNC(=S)Nc1cccc(Br)c1 16941884 DOFMWYBNBJAPQV-UHFFFAOYSA-N 316.268 2.687 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)c1cccc(C)c1OC 20143016 QIEGELFDYCBHFY-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB C[C@@H]1CN([C@H](CN)c2ccccc2C(F)(F)F)C[C@@H](C)O1 21012832 NWNZLOQCRSEDSQ-JTNHKYCSSA-N 302.340 2.814 0 40 DFAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2)c1 22496199 ZCUFEIURPPWWLC-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)CN1CCCCCC1=O 23694919 YHLYETVXOZTYKO-HNNXBMFYSA-N 302.418 2.527 0 40 DFAB CC(=O)N1CCC(C(=O)N[C@@H](c2cccs2)C(C)C)CC1 24318356 ODGRXUSYUTWUKZ-OAHLLOKOSA-N 308.447 2.820 0 40 DFAB Cc1c(C(=O)OCc2nc3ccccc3n2C(F)F)cnn1C 25636661 CWFSZXFSLHJJFB-UHFFFAOYSA-N 320.299 2.830 0 40 DFAB COc1cccc2c1N(CC(=O)N[C@@H](C)c1ccco1)CCC2 26338751 HPGCRNQPIJTRJE-ZDUSSCGKSA-N 314.385 2.918 0 40 DFAB CC(C)c1ccc(CN(C)CCn2nc3ccccn3c2=O)cc1 26920947 MRDGSSUJERGOMP-UHFFFAOYSA-N 324.428 2.751 0 40 DFAB O=C(Nc1nnc2ccccn12)c1cccc(-n2cccc2)c1 30692410 HWKUSDNGYDCGIP-UHFFFAOYSA-N 303.325 2.772 0 40 DFAB COc1ncccc1CNC(=O)N[C@H](C)CCc1ccccc1 32794800 LNWFKBHCNSGASB-CQSZACIVSA-N 313.401 2.911 0 40 DFAB CCc1ccc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)OC)cc1 32813359 MFNJYKDZQDANNA-INIZCTEOSA-N 314.385 2.925 0 40 DFAB C[C@H]1CCc2nc(NC(=O)c3cn4cccnc4n3)sc2C1 36390818 ULCXEZSAWSZLIA-VIFPVBQESA-N 313.386 2.563 0 40 DFAB Cc1cc(NC(=O)N2CCC[C@@H](O)C2)ccc1Br 43261369 RLNXPKVNGAOSDN-LLVKDONJSA-N 313.195 2.746 0 40 DFAB CCc1noc([C@@H](C)N2CCN(Cc3cccc(C)c3)CC2)n1 44335233 RSHVWOZKHKIAFX-OAHLLOKOSA-N 314.433 2.819 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1C 47202325 INHGEAQZAQLYOM-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(N)c1 47844048 FHPIOAMZSNTQTI-CQSZACIVSA-N 320.389 2.825 0 40 DFAB in-vitro Cc1noc([C@@H]2CCCN(C(=O)c3scnc3Cl)C2)n1 48941704 QMWLNSRGWRWKEQ-MRVPVSSYSA-N 312.782 2.508 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cnc(C)s2)c1 56106900 KKHVEKAIPZZRQW-UHFFFAOYSA-N 310.444 2.889 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 57355965 QQRBDJGOXBLVCZ-NVXWUHKLSA-N 302.418 2.677 0 40 DFAB COc1cccc(NC(=O)NC[C@H](O)c2cccc(F)c2)c1 58195062 FJXAALUEJRPTIO-HNNXBMFYSA-N 304.321 2.689 0 40 DFAB O=C(NCCOc1cccc2cccnc12)c1ccccc1O 59474418 IYRGBAMUBRFZLB-UHFFFAOYSA-N 308.337 2.749 0 40 DFAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(N)=O 59680650 HDJCVFRPQOUBBN-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)Nc1cc(C)on1 60358423 WPFYSHUTFVFLQD-GFCCVEGCSA-N 317.345 2.945 0 40 DFAB CCCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341585 YGIRLQXIWFRQSG-UHFFFAOYSA-N 318.826 2.632 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)s1 62299457 NKYRJFOMIACZTJ-NEPJUHHUSA-N 301.367 2.821 0 40 DFAB CC(C)(CNC(=O)NCc1cccnc1)c1ccccc1F 65589081 DMAKHLDANLBZRJ-UHFFFAOYSA-N 301.365 2.998 0 40 DFAB O=C1C[C@H](c2ccncc2)c2c(ncn2-c2ccc(F)cc2)N1 66091729 YJGUPDCNNJNISS-CQSZACIVSA-N 308.316 2.881 0 40 DFAB Cc1cccc(C(C)(C)CNC(=O)NCc2ccnc(C)n2)c1 68844126 FBAVVCNPFWBUIN-UHFFFAOYSA-N 312.417 2.870 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@H]1C(=O)OCc1ccccc1 68854903 LIVBTVPXWGTHLF-QGZVFWFLSA-N 314.385 2.999 0 40 DFAB CCOCCO[C@H](C)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 69326363 CCMBSUFNJBFRNK-OAHLLOKOSA-N 323.433 2.712 0 40 DFAB CN(Cc1nc(C(C)(C)C)no1)C[C@H]1COc2ccccc2O1 69491773 GVKUIAQOXMLDEQ-LBPRGKRZSA-N 317.389 2.639 0 40 DFAB COc1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc1F 69739768 GEQFZQAZIXUZQP-SJORKVTESA-N 320.408 2.810 0 40 DFAB CC(C)c1nnc2n1CCN(Cc1ncc(C(C)(C)C)o1)C2 69951198 ZGJZBQHIEFIXDP-UHFFFAOYSA-N 303.410 2.703 0 40 DFAB Cn1cnc2cc(OC(=O)c3ccc4nsnc4c3)ccc21 70974369 TXYZDMDAZRKPMS-UHFFFAOYSA-N 310.338 2.797 0 40 DFAB C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1 71846769 HKOZZCYQDZMTSM-MRVPVSSYSA-N 306.366 2.563 0 40 DFAB CCc1nc([C@H](C)NC(=O)NCc2nc(C3CC3)no2)cs1 71897737 RDIGKXOKGNRTKO-QMMMGPOBSA-N 321.406 2.526 0 40 DFAB CCC(CC)c1cc(C(=O)N[C@@H]2CCc3nccn3C2)on1 72295311 VIZWUJGKLDERGT-GFCCVEGCSA-N 302.378 2.520 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@@H](O)c1cccc(Cl)c1 73757318 AGYIRNBBGOGACE-CQSZACIVSA-N 301.729 2.670 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)[C@H]3CCc4ccccc43)c12 75139752 GAVIQHPMGXHGTN-LBPRGKRZSA-N 309.373 2.527 0 40 DFAB CCn1cc(NC(=O)c2c[nH]nc2-c2ccc(OC)cc2)cn1 76061068 GWMVLEOYSYGCEQ-UHFFFAOYSA-N 311.345 2.554 0 40 DFAB O=C1CCc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2N1 76087994 LPJVHXVFTOJMQO-UHFFFAOYSA-N 306.325 2.700 0 40 DFAB CO[C@@H]1CCC[C@H](OC(=O)c2ccc(-n3cncn3)c(C)c2)C1 76090091 QPHMQOVIBLQQCR-CABCVRRESA-N 315.373 2.690 0 40 DFAB CC(=O)Nc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1 78553226 QKYUVUVSPYYFRY-LLVKDONJSA-N 300.406 2.846 0 40 DFAB C/C=C/C=C/C(=O)NCC1CCN(Cc2csc(C)n2)CC1 78917448 NSGKGOJVUCKFSR-VNKDHWASSA-N 319.474 2.912 0 40 DFAB CCOC(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccoc2)c1 79354954 RUBIZHAWTUAMJG-LLVKDONJSA-N 302.330 2.895 0 40 DFAB Cc1ccc([C@H]2COCCN2C(=O)NCc2scnc2C)o1 89652793 IZWWLTLKCIDWAP-GFCCVEGCSA-N 321.402 2.636 0 40 DFAB Cc1ccccc1CCCN1CCN(C[C@@H]2CCOC2)CC1 89689328 TYLTUGQMOXCURJ-SFHVURJKSA-N 302.462 2.582 0 40 DFAB CC1CCC(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 89798953 FAJGGXYGGWMBIT-SOTJZCEJSA-N 302.462 2.790 0 40 DFAB CCC[C@@H]1SCCN1C(=O)c1cnn(-c2ccncc2)c1C 90632684 KRLKVEBOPDWQAP-HNNXBMFYSA-N 316.430 2.891 0 40 DFAB O=C1COc2cccc(OCc3nc4cc(F)ccc4o3)c2N1 91598442 GKHVDUAUQUJITE-UHFFFAOYSA-N 314.272 2.877 0 40 DFAB O=C(NCc1cc2c(s1)CCCCC2)N1CC[C@@H](CCO)C1 95410844 APMRGZBYDRLWIQ-ZDUSSCGKSA-N 322.474 2.931 0 40 DFAB COc1cccc([C@@H](O)C(=O)N[C@H](C)c2ccc(C)s2)c1 95450254 ODJNFMSGICMLRK-IAQYHMDHSA-N 305.399 2.976 0 40 DFAB c1ccc(OCC2CC2)c(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1 95457733 HHACAPALMWUBJV-MJGOQNOKSA-N 317.429 2.903 0 40 DFAB O=C(Cc1ccc2c(c1)OCC2)N1CCO[C@@H](c2ccccc2)C1 95475470 ZPOULISICCGPQG-LJQANCHMSA-N 323.392 2.764 0 40 DFAB CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(F)cc1)C2 96060146 KZNQKOOWLQXMAZ-OAHLLOKOSA-N 303.381 2.788 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(CC3CCC3)C2)C1 96062982 FMEFQSGUDQQCTE-IBGZPJMESA-N 313.445 2.810 0 40 DFAB c1cncc(O[C@@H]2CO[C@]3(CCCN(Cc4ccco4)C3)C2)c1 96222522 FGTXYVOXKVWCID-ZWKOTPCHSA-N 314.385 2.877 0 40 DFAB C[C@@H]1C[C@@H](NC(=O)c2ccncc2F)CN1Cc1ccccc1 96466345 SOXLRACLNPOLBL-UKRRQHHQSA-N 313.376 2.614 0 40 DFAB CC[C@@H](COC)NC(=O)Nc1ccccc1OCC(F)F 96475063 JTBGWABWSQEMBZ-JTQLQIEISA-N 302.321 2.877 0 40 DFAB COC(C)(C)C[C@@H](C)NC1CCN(Cc2ccncc2)CC1 96476635 QKZDQIFENZKSRD-OAHLLOKOSA-N 305.466 2.839 0 40 DFAB Cc1cccc(C)c1OC1CCN(C(=O)[C@H](N)C(C)C)CC1 96481173 IDONDRAHUVPYNT-MRXNPFEDSA-N 304.434 2.657 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1 97047293 DPCSGRBSFANGTK-DMZKTXOQSA-N 324.446 2.892 0 40 DFAB COc1c(F)cc(NC(=O)NCC2(OC)CCC2)cc1F 97056529 WLZNWNFLMANPIU-UHFFFAOYSA-N 300.305 2.664 0 40 DFAB CC(C)NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211280 WDKWFGBRZJPDDR-UHFFFAOYSA-N 310.357 2.730 0 40 DFAB COc1cc(O)cc2oc([C@@H]3C=C(O)C(O)=CC3)c(O)c(=O)c12 100054055 YZEPJUSIQOJOGW-ZETCQYMHSA-N 318.281 2.584 0 40 DFAB O=S(=O)(c1ccccc1)C12[C@@H]3CCC[C@@H]1C32Br 100707191 BPGSJKMVNCYDEN-OKZRHMCRSA-N 313.216 2.776 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2n1 102597444 XYRPFHDEFRNJCD-CBBWQLFWSA-N 312.417 2.901 0 40 DFAB CSCC[C@H]1NC(=S)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C1=O 107337011 DNMMSHUNZTXJCT-ZDEQEGDKSA-N 312.504 2.651 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721193 ICCAWIOUEGFUMQ-LUKYLMHMSA-N 305.418 2.528 0 40 DFAB Cc1cccc(-n2nc(C(=O)O)c(N(C)Cc3ccccc3)n2)c1 256046114 CTVLUHUIXDLHSZ-UHFFFAOYSA-N 322.368 2.910 0 40 DFAB O[C@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 257222501 DTNFAMRWEJDYJG-SFHVURJKSA-N 312.413 2.741 0 40 DFAB Cn1cccc1C(=O)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257301855 SAFRWPQUQMHUJR-QLPKVWCKSA-N 310.397 2.955 0 40 DFAB CCc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1 306136211 PMVQSTQJAGFMGN-UHFFFAOYSA-N 321.428 2.614 0 40 DFAB C[C@H](Cc1ccsc1)NC(=O)Cc1ccc(C(=O)O)cc1 569434447 UCGDBMCLMRGBIU-LLVKDONJSA-N 303.383 2.736 0 40 DFAB COCc1nc(C(=O)NCC2(c3ccc(C)cc3C)CC2)co1 573774701 SJNNGRWLEWHMHB-UHFFFAOYSA-N 314.385 2.899 0 40 DFAB COc1c(OCc2nnc3n2CCOC3)ccc2ccccc12 575603862 POALCYIGVWPYDZ-UHFFFAOYSA-N 311.341 2.549 0 40 DFAB O=C(NCCc1cnn(Cc2ccccc2)c1)[C@@H]1CC=CCC1 583650504 MARZOFICXDEVNM-GOSISDBHSA-N 309.413 2.946 0 40 DFAB CC(=O)N[C@H]1CCCN(Cc2ccncc2)[C@H]1Cc1ccccc1 585269017 HRWYXLNHJUDVMO-PMACEKPBSA-N 323.440 2.793 0 40 DFAB CC(C)c1cc(NC(=O)NCc2cccc(C(=O)O)c2)no1 669500403 JEMNIHOHWVGCBS-UHFFFAOYSA-N 303.318 2.818 0 40 DFAB Cc1nnc([C@@H]2CCCN(c3ncnc4ccc(F)cc34)C2)o1 678401808 PWYDRUBBDQAQAN-LLVKDONJSA-N 313.336 2.844 0 40 DFAB O=C(Nc1ccccc1F)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888859888 HSZCBINTUIVRTH-STQMWFEESA-N 303.381 2.774 0 40 DFAB CSC[C@@H](C)N(C)C(=O)c1cnn(C)c1-c1ccccc1 95985568 WXDCVIWFVHLDMR-GFCCVEGCSA-N 303.431 2.911 0 40 DFAB CSc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cn1 78556796 HTEJEGFTDKSGEN-UHFFFAOYSA-N 315.807 2.653 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)n[nH]1 78902117 FSPIGJUKZVXJPM-OAGGEKHMSA-N 310.401 2.623 0 40 DFAB CC(=O)N(C)c1ccc(OC(=O)c2n[nH]c3ccccc23)cc1 78933457 YXGAEXDUJZUILL-UHFFFAOYSA-N 309.325 2.765 0 40 DFAB CCn1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2)cn1 88755523 WXNAFBHGBRPRDG-ZDUSSCGKSA-N 306.360 2.550 0 40 DFAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(C)no2)cc1F 79020130 MNKFNEGSBLPIKW-SNVBAGLBSA-N 306.293 2.731 0 40 DFAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)o1 79112434 DLFZLXCQMKZTLH-NSHDSACASA-N 310.400 2.760 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1c1ccc[nH]1 79447210 UUHGKZIDXGECAM-KRWDZBQOSA-N 321.380 2.805 0 40 DFAB CN(C)[C@@H](CNC(=O)NCc1ccccc1)c1ccsc1 12551832 JPKLCCIKNSOGPA-HNNXBMFYSA-N 303.431 2.850 0 40 DFAB Cc1cccc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 4493293 ARJJQERLLIPTKW-UHFFFAOYSA-N 308.337 2.517 0 40 DFAB N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1nccs1 6550531 HDZYIGVODQPWIX-WEYIDTPFSA-N 303.368 2.904 0 40 DFAB Cc1cccc(C)c1N1C[C@@H](C(=O)NCc2ccco2)CC1=O 7928336 LZNPVYSVNKEXGQ-AWEZNQCLSA-N 312.369 2.566 0 40 DFAB Cc1ccc(NC(=O)CC(=O)N2C[C@H](C)O[C@H](C)C2)cc1Cl 55401829 BVZIUOSWBGOLIE-TXEJJXNPSA-N 324.808 2.613 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 9141770 OIZPDYPHFSXUTM-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB Cc1nc(NS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)no1 95994086 WLDKWPNDFFNSFT-UHFFFAOYSA-N 322.173 2.794 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@@H]1OCCc2ccccc21 108142752 MCSXTZHNXPCOPY-ISTRZQFTSA-N 315.369 2.522 0 40 DFAB CN(C)[C@H](CNCc1nc(-c2ccsc2)no1)c1ccco1 48250966 VLFOIDPXCACAAX-GFCCVEGCSA-N 318.402 2.784 0 40 DFAB Cc1csc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)n1 48249416 VGZLSPVWOGMLCH-UHFFFAOYSA-N 315.402 2.707 0 40 DFAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1C(=O)O 44750165 PJPCRMDYITYJBF-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccnc1N(C)C 58295532 ASZCGEZZJRFBGV-UHFFFAOYSA-N 323.347 2.537 0 40 DFAB CC(=O)NC1(C(=O)N[C@@H](C)c2ccc(F)cc2F)CCCCC1 58278248 RLEAGKHWHHQVEY-NSHDSACASA-N 324.371 2.981 0 40 DFAB Cc1cc([C@@H]2CCCN2CCn2c(=O)oc3ccccc32)on1 44975811 QHHQDJPNXUIICO-ZDUSSCGKSA-N 313.357 2.728 0 40 DFAB O=C(COc1ccccc1Cl)Nc1ccc(C(=O)O)c(O)c1 20144565 BLJOLYHVEUXGJY-UHFFFAOYSA-N 321.716 2.761 0 40 DFAB COc1ccccc1CC(=O)Nc1ccn(Cc2cccnc2)n1 58323233 LKHMLRTWBDHNIT-UHFFFAOYSA-N 322.368 2.516 0 40 DFAB CCCSCC(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58323803 IANYRNQPTKKLBE-CQSZACIVSA-N 322.474 2.781 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCCC3)C2)c(C)c1 58365094 FKGPSESATNMOSH-SJORKVTESA-N 315.461 2.801 0 40 DFAB C[C@@H](CCNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1 58325769 IGCTWBHFDUJQTK-HNNXBMFYSA-N 318.417 2.729 0 40 DFAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)[C@@H]1CCCO1 27911704 JMWYAEOREBUSJW-YPMHNXCESA-N 304.415 2.913 0 40 DFAB CCOc1ncccc1C(=O)Nc1c(C)cnn1CC1CC1 58420271 LSQUZVPYYZITKA-UHFFFAOYSA-N 300.362 2.648 0 40 DFAB CCOc1ccccc1CNC(=O)c1cc(-c2ccco2)[nH]n1 58405739 CGWXNLIKTACESZ-UHFFFAOYSA-N 311.341 2.998 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1 170672675 UBBDDBATZOHPFL-ZDUSSCGKSA-N 323.400 2.625 0 40 DFAB CC(C)n1nc(C(=O)NCc2ccco2)c2ccccc2c1=O 3479085 ARPWQXOXYLJIAX-UHFFFAOYSA-N 311.341 2.500 0 40 DFAB NC(=O)CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCCC1 60724972 CAYQAAMXSCIOMC-UHFFFAOYSA-N 318.461 2.849 0 40 DFAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12949750 MVVPJNDRQSZYHG-CYBMUJFWSA-N 304.390 2.581 0 40 DFAB Cc1ccc2c(CC(=O)N3CCC(C(=O)O)CC3)coc2c1C 13167368 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IFQGXHMHMXTROF-UHFFFAOYSA-N 302.403 2.961 0 40 DFAB Cn1cnnc1CCNC(=O)c1sc2ccccc2c1Cl 71847021 FRXDAZOFNSQJMA-UHFFFAOYSA-N 320.805 2.656 0 40 DFAB COC(=O)N(C)CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 83857440 YXBUPWKUEHXHRO-INIZCTEOSA-N 316.401 2.753 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Nc1ccccc1 9646157 ZJIVYJVAIUPFBO-HIFRSBDPSA-N 303.406 2.893 0 40 DFAB CSc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 69462324 WEYNVLMOHALXOL-UHFFFAOYSA-N 311.366 2.897 0 40 DFAB COC(=O)c1c(NC(=O)CNC(C)(C)C)sc2c1CCCC2 9690569 SVBUWLQAZXKQEG-UHFFFAOYSA-N 324.446 2.740 0 40 DFAB CC(C)[C@@H](Sc1nncn1C)C(=O)Nc1ccc(F)cc1 9690488 YTKNUTWXCVBIIC-GFCCVEGCSA-N 308.382 2.710 0 40 DFAB COc1ccc(Cl)cc1CNC(=O)N1CCOCC[C@H]1C 91605937 VRFXNIIIHIXAJZ-LLVKDONJSA-N 312.797 2.669 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](C)c1ccncc1 95978992 DMEUYELZMILVKD-NWDGAFQWSA-N 300.406 2.835 0 40 DFAB COCCOc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1 83911784 NLEDMJVRGXDBKB-UHFFFAOYSA-N 318.417 2.797 0 40 DFAB Cn1cc([C@@]2(C)CN(Cc3cccc4[nH]ccc34)CCO2)cn1 92017296 PORWBPISODPGPG-GOSISDBHSA-N 310.401 2.649 0 40 DFAB COCCN(Cc1ccccn1)C(=O)c1cccc2cccnc12 69849528 VTGJMURXKMUKPQ-UHFFFAOYSA-N 321.380 2.919 0 40 DFAB Cc1nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2s1 8778975 NFRYJEAHRDBTTE-UHFFFAOYSA-N 322.415 2.745 0 40 DFAB CNC(=O)Cc1noc(CC2(Sc3ccccc3)CCC2)n1 97081206 WTASNGBNJYHSDQ-UHFFFAOYSA-N 317.414 2.616 0 40 DFAB OCC1CCN(c2ccccc2NCc2cscn2)CC1 97048890 SRVZOJXAVMIQPO-UHFFFAOYSA-N 303.431 2.964 0 40 DFAB Cc1nc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cs1 72283809 RUORMAJBAVRZIC-ZDUSSCGKSA-N 303.387 2.672 0 40 DFAB Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2cnn(C)c2)c1 72271329 GNXYAXKGQAMASU-AWEZNQCLSA-N 300.406 2.940 0 40 DFAB O=C(NCCc1cccnc1)Nc1cnn(-c2ccccc2)c1 72294532 GCSZSSKVSFGUQR-UHFFFAOYSA-N 307.357 2.632 0 40 DFAB OCc1cccc(NC2CCN(Cc3cscn3)CC2)c1 97105294 NBYQRIAAOUZIHC-UHFFFAOYSA-N 303.431 2.712 0 40 DFAB O=C(NCCCNC(=O)c1ccc(O)cc1)C1=CCCCCC1 97100115 WJHYCHZCGCRVHR-UHFFFAOYSA-N 316.401 2.519 0 40 DFAB Cc1cc(C)c(CNC(=O)c2csc(CC(C)C)n2)c(=O)[nH]1 75126043 LIDNZWHGKWMRBD-UHFFFAOYSA-N 319.430 2.577 0 40 DFAB Cn1cc(CCC(=O)N2CCCc3c(F)ccc(F)c32)cn1 89755611 CABAMXTUOKMEIF-UHFFFAOYSA-N 305.328 2.610 0 40 DFAB Cc1ccoc1C(=O)Nc1cccn(CC(F)(F)F)c1=O 89701971 XFRBKWWMNMPSAM-UHFFFAOYSA-N 300.236 2.564 0 40 DFAB O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc2[nH]nnc2c1 89807607 JZHJGZBBQZHZMA-UHFFFAOYSA-N 309.304 2.760 0 40 DFAB O=C(C[C@H]1CCCO1)N(Cc1ccncc1)Cc1cccnc1 75611223 QIOFURVADSTBRK-QGZVFWFLSA-N 311.385 2.575 0 40 DFAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1cccnc1 65626180 YPCREMMBGNLGNG-NSHDSACASA-N 310.806 2.916 0 40 DFAB O[C@@H](CNCc1ccccc1)[C@H]1CCc2cc(F)ccc2O1 35787395 UWHPUMRASBVSQY-FUHWJXTLSA-N 301.361 2.670 0 40 DFAB in-vitro CC(=O)c1ccc(N2CCN(CC(=O)c3ccccc3)CC2)cc1 67206193 BHSHZKSQKKVQRW-UHFFFAOYSA-N 322.408 2.894 0 40 DFAB COc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccnc1 38556568 FJLLFFCZNDTKBR-UHFFFAOYSA-N 320.414 2.692 0 40 DFAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 72242169 RFEYSSDRXNMJEP-RDJZCZTQSA-N 312.344 2.984 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 408709315 ZLGWTWDMPQSZBK-IJEWVQPXSA-N 300.402 2.734 0 40 DFAB CCc1nc([C@@H](C)NC(=O)NCc2ccnc(OC)c2)cs1 78924732 ZIUSLPGFHJKGQG-SNVBAGLBSA-N 320.418 2.670 0 40 DFAB COC(=O)C[C@H](C)SCc1csc(-c2cnn(C)c2)n1 79358920 PDKZWPGAXIQEKX-VIFPVBQESA-N 311.432 2.728 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 34916216 PUFKSHQJYSRICX-CQSZACIVSA-N 324.380 2.995 0 40 DFAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)c1 77658494 HNHHMHBRLDLRDK-UONOGXRCSA-N 324.446 2.781 0 40 DFAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1 78403884 KMEZFJXYBLJHIA-SNVBAGLBSA-N 306.362 2.983 0 40 DFAB CCc1cc(NC(=O)c2ccn(CCN(C)C)n2)ccc1C 567177392 GPEPKTHFOYDDAH-UHFFFAOYSA-N 300.406 2.568 0 40 DFAB Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc(C(C)C)no1 41123730 IDXZYCJAWXOASN-SNVBAGLBSA-N 321.406 2.720 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1cccc(F)c1F 223639619 OVMNRTGXXYWGCW-JTQLQIEISA-N 315.316 2.875 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(Cl)c2)C1 45958289 OEOXZAVKUUWBEA-LLVKDONJSA-N 322.792 2.768 0 40 DFAB CCS(=O)(=O)c1ccccc1N1CCC[C@H](n2cccn2)C1 195576157 QRCCOPDFJLBPDV-AWEZNQCLSA-N 319.430 2.518 0 40 DFAB CN1CCC(NC(=O)CSCc2ccc(Cl)cc2)CC1 47837433 DMFJIILPXSALMS-UHFFFAOYSA-N 312.866 2.784 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1ccnc(-c2ccco2)c1 225656236 VZPBMDUHISIDCO-UHFFFAOYSA-N 311.341 2.805 0 40 DFAB C[C@H]1CN(C(=O)CSc2nnc(S)s2)C(C)(C)C1 81965144 GXBMFKFKZBKEPH-SSDOTTSWSA-N 303.478 2.566 0 40 DFAB CCCCCNC(=O)CCc1nc(-c2cccc(OC)c2)no1 41185335 SKNLYQGQMROTSX-UHFFFAOYSA-N 317.389 2.984 0 40 DFAB C[C@@H](C(=O)N[C@H](Cn1cncn1)c1ccccc1)c1ccccc1 195567371 YOMNFPCRHVCXCG-CRAIPNDOSA-N 320.396 2.939 0 40 DFAB COCc1cc(NC(=O)NCc2ccc(C3CC3)cc2)ncn1 192337486 BEFPXEBTTZTYIZ-UHFFFAOYSA-N 312.373 2.822 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c(F)c1 237350533 NZZYNHSSIZUHIO-NSHDSACASA-N 309.337 2.694 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 98177446 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Cc1cc(N2C(=O)OC[C@@H]2C)nc(C2CCN(C(C)C)CC2)n1 257323427 WKCMGJAPTUDSHY-ZDUSSCGKSA-N 318.421 2.718 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)CCc3cccs3)C2)n1 257203105 AOSHKUBYJWPZPX-ZDUSSCGKSA-N 303.431 2.739 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccncn1 257259155 KXCNCFZORUHZFP-QGZVFWFLSA-N 321.384 2.580 0 40 DFAB Cc1cc(N2CCC[C@H]2c2cnc(-c3ncc(C)[nH]3)cn2)ncn1 585178824 GHCMDHWUMPFGRS-HNNXBMFYSA-N 321.388 2.615 0 40 DFAB Cc1cccc2sc(N(C)CC(=O)NCc3ccco3)nc12 891514016 RELRCXZPZLZRAA-UHFFFAOYSA-N 315.398 2.950 0 40 DFAB Cc1nc2c(c(N3CCC[C@@H](COc4ccncc4)C3)n1)CCC2 1776001907 RITIYHVURJOFSK-OAHLLOKOSA-N 324.428 2.964 0 40 DFAB COCCNC(=O)Nc1c(C)cc(Br)cc1C 48466540 KRPWLEIWJHNANL-UHFFFAOYSA-N 301.184 2.834 0 40 DFAB COC(=O)Nc1cccc(NS(=O)(=O)c2cccs2)c1 48655602 UZRLZCRQMGVTPW-UHFFFAOYSA-N 312.372 2.727 0 40 DFAB CN1CCc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2C1 60626992 AAFTWZRGYBZAQC-UHFFFAOYSA-N 323.805 2.742 0 40 DFAB O=C(NCCCN1CCCCCC1=O)c1ccc(O)c(Cl)c1 60794901 DOHHYOVDNRJEBA-UHFFFAOYSA-N 324.808 2.568 0 40 DFAB CCc1n[nH]c(NC(=O)Cc2ccc(C)nc2)c1Br 75093047 CNBWBPZNRVDSOA-UHFFFAOYSA-N 323.194 2.619 0 40 DFAB CCOCCO[C@@H](C)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 57502783 YCJSELWJCLYOKQ-YOEHRIQHSA-N 323.408 2.801 0 40 DFAB C[C@@H]1CN(C(=O)CCCOc2cccc(F)c2)[C@H](C)CN1C 95454247 USOKRAXSLCQXGJ-ZIAGYGMSSA-N 308.397 2.536 0 40 DFAB O=C1[C@H](Nc2cc(F)cc(Br)c2)CCN1C1CC1 95409187 OWMURLIMBKMXSZ-GFCCVEGCSA-N 313.170 2.763 0 40 DFAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCCC[C@@H]3C)ccc21 12181087 FOLIBANCCVPVAU-KSSFIOAISA-N 316.445 2.894 0 40 DFAB COc1ccc(C[C@@H]2COCCN(Cc3coc(C)n3)C2)cc1 607855081 LFQIXETVUYWTOP-INIZCTEOSA-N 316.401 2.683 0 40 DFAB CCOc1ccc(CC(=O)NCC2CCN(C(C)C)CC2)cc1 23013940 LHWHUUPREZMTRZ-UHFFFAOYSA-N 318.461 2.864 0 40 DFAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1CC 3412665 CWDGECKJZIMHRJ-UHFFFAOYSA-N 304.419 2.583 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 6064155 SLJTZOPVXSMLQF-UHFFFAOYSA-N 320.295 2.941 0 40 DFAB c1ccc(N2C[C@H]3CCN(c4ncnc5ccccc45)[C@H]3C2)nc1 1889186922 CTPAVHZJYVPEPI-PBHICJAKSA-N 317.396 2.740 0 40 DFAB CN(Cc1ccsc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 23957635 LOPWMCYFLROYPX-UHFFFAOYSA-N 323.439 2.565 0 40 DFAB O=C(c1ccco1)N1CCN(Cc2ccc(Cl)s2)CC1 38641232 SGHHSNCLWVYCNQ-UHFFFAOYSA-N 310.806 2.953 0 40 DFAB COCCN1CCC[C@@H]1c1nccnc1-c1scnc1C 2037769665 IBVMZLOGMKTIJI-GFCCVEGCSA-N 304.419 2.692 0 40 DFAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCC1CCCC1 9820509 GEOUEEVDMJYWSF-INIZCTEOSA-N 300.402 2.661 0 40 DFAB Cc1cc(C(F)(F)F)nc2sc3c(O)nc(=O)[nH]c3c12 12446574 GSNRCFJZCHSFTJ-UHFFFAOYSA-N 301.249 2.566 0 40 DFAB Cc1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(O)n2)c1 15881314 ACXVSJIFMJUFHF-UHFFFAOYSA-N 323.356 2.545 0 40 DFAB CCO[C@H]1CN(C(=O)/C=C/c2cccs2)[C@@H]2CCCO[C@H]12 2055759300 JFWAWJKQLCZRTI-FGTTXNKXSA-N 307.415 2.556 0 40 DFAB NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 509532 NNRCADMFWHJEEJ-KOLCDFICSA-N 310.279 2.642 0 40 DFAB O=C(/C=C/c1cccs1)N1CCC(Oc2cnsn2)CC1 618255946 LEEDOKXGFZFSAD-ONEGZZNKSA-N 321.427 2.683 0 40 DFAB COc1ccccc1CN1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 20035130 YJTGSVKWEQSXJG-HOTGVXAUSA-N 318.461 2.769 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1ccc(C(F)(F)F)n1 40159829 JNPGKEAXEFUOIG-SNVBAGLBSA-N 309.291 2.880 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccs1 40477705 OQUVVZIMXAARRQ-SNVBAGLBSA-N 314.374 2.607 0 40 DFAB CC1(C)CC(=O)c2cc3c4c(c(=O)oc3c(O)c2O1)CCC4 20426499 GMYBRVYKFUGFKY-UHFFFAOYSA-N 300.310 2.731 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cn1ccccc1=O 40553183 HLAFOVVHICXZLP-AWEZNQCLSA-N 314.385 2.580 0 40 DFAB COc1ccc2nc(C)c(C(=O)Nc3nncs3)cc2c1 21215728 RESTZSCGRDSRMO-UHFFFAOYSA-N 300.343 2.656 0 40 DFAB Cc1ccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)c(O)c1 32902524 ODJBKMHRCKGMPT-UHFFFAOYSA-N 324.336 2.756 0 40 DFAB COc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cs2)cc1 21836022 JQDPMIYFBWBHAZ-ZDUSSCGKSA-N 318.398 2.728 0 40 DFAB Cc1nc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cs1 22228835 YIRGRYHRCVJLPC-UHFFFAOYSA-N 315.398 2.525 0 40 DFAB Cc1cnn(CCNCc2cc(Br)cs2)c1 53534769 BAPBUPWZIQSQOD-UHFFFAOYSA-N 300.225 2.805 0 40 DFAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 241166 NPQHSWOOTQLYSI-NSHDSACASA-N 318.760 2.602 0 40 DFAB C[C@@H]1C[C@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)O1 78300876 JWIAUSXAYQHTFD-RISCZKNCSA-N 300.358 2.711 0 40 DFAB O=C(Nc1ccccc1I)c1ccncc1 3107773 XXAFKATVVNREPP-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB CCC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O 1558151 XDYSPKPGMLQIPI-HIFRSBDPSA-N 303.402 2.992 0 40 DFAB COCCn1ccc2c(C(=O)NCCc3ccncc3)cccc21 79493727 MFQJKMSNWHAISX-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 79592325 HYSVEKUBEGXLFT-BEFAXECRSA-N 308.381 2.536 0 40 DFAB C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)NCc1ccco1 24250263 QDCSDLUSWDUJGK-NSHDSACASA-N 308.328 2.867 0 40 DFAB C[C@@H]1CCc2nc(NC(=O)NCc3ccccn3)sc2C1 6550163 RFBWVBAWDTVTBY-SNVBAGLBSA-N 302.403 2.985 0 40 DFAB CCc1cccc(CC)c1NC(=O)NCc1nnc2n1CCC2 43340582 DEDNIROKQIUOTN-UHFFFAOYSA-N 313.405 2.671 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1O 3248268 YXKFNKWJSNHNDF-CYBMUJFWSA-N 313.353 2.735 0 40 DFAB Cc1cc(CN(C)C(=O)c2nc(Cl)ccc2Cl)no1 25137384 KKHHTMZQDLVTRH-UHFFFAOYSA-N 300.145 2.957 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)c1occc1C)CC2 56462377 VXNTWYOVAYSYNV-UHFFFAOYSA-N 315.369 2.846 0 40 DFAB Cc1ccc(CN(C)Cc2c(O)nnn2-c2ccccc2)cc1 57085082 KSXWZZBQIYHZKR-UHFFFAOYSA-N 308.385 2.913 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 100395537 BCNNJHDWOXQMDX-NWCWSAAOSA-N 322.408 2.726 0 40 DFAB CN(Cc1ccsc1)C(=O)NCc1ccc(N(C)C)nc1 48235962 GWWLWKJNTHTCLJ-UHFFFAOYSA-N 304.419 2.551 0 40 DFAB CC1CCC(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)CC1 26982257 UAICVQJRGUHJOV-ROKHWSDSSA-N 318.417 2.953 0 40 DFAB C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1 58195570 PKTLXBROLVJAFF-CYBMUJFWSA-N 311.385 2.972 0 40 DFAB C[C@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)[C@H]1CCCO1 58268345 HGBJVOMHFISYCP-BLLLJJGKSA-N 313.401 2.597 0 40 DFAB O=C(NCc1ccc(Br)c(F)c1)Nc1cn[nH]c1 58245650 JXFIBJOGRHRQGD-UHFFFAOYSA-N 313.130 2.633 0 40 DFAB CN(CCCN1CCCC1)CC(=O)Nc1ccccc1Cl 58344150 YUCFEPCFJXOKES-UHFFFAOYSA-N 309.841 2.696 0 40 DFAB CN(CC(=O)N1CCCC1)c1ccnc2c(F)ccc(F)c12 58367545 HGZDLYCQYAGYGH-UHFFFAOYSA-N 305.328 2.572 0 40 DFAB CCOc1ccc(NC(=O)[C@H](C)Cn2nc(C)nc2C)cc1 28295767 HJYPOGOCJBKLHT-LLVKDONJSA-N 302.378 2.568 0 40 DFAB O=C1OCCN1CCc1nc(-c2ccc3c(c2)OCO3)cs1 45816914 XLYHZORQGAXITA-UHFFFAOYSA-N 318.354 2.534 0 40 DFAB Cc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)cc1 29505126 NKVFSSNRMRXNJX-KBPBESRZSA-N 313.401 2.739 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 60164916 LVROUGRBIIPIEX-CHWSQXEVSA-N 315.417 2.520 0 40 DFAB O=C(CCc1nc(-c2cccnc2)no1)Oc1ccccc1F 46417878 BBIMTAUAPKZGHY-UHFFFAOYSA-N 313.288 2.809 0 40 DFAB Cn1ccnc1[C@H](NC(=O)CCc1ccco1)c1ccccc1 29987017 SRYPVQYWBLJHRB-QGZVFWFLSA-N 309.369 2.852 0 40 DFAB Cc1cccc(Cl)c1NC(=O)c1cccc(-n2cnnn2)c1 174420610 AOYCYNGMQMMPKT-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CN(CC(N)=O)C(=O)c1ccc(-c2cccc(Cl)c2)s1 49248534 VDXNNRJQBCQDTE-UHFFFAOYSA-N 308.790 2.626 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(Cl)c(Cl)c1 49226116 AOKFIPVVVKRSLV-VIFPVBQESA-N 315.200 2.734 0 40 DFAB COC(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 9390248 XQMAXGGFBZKKRX-CQSZACIVSA-N 311.337 2.663 0 40 DFAB O=C(COC1CCCCC1)Nc1ccn(Cc2cccnc2)n1 65494929 YJJQOBDLQHSQPO-UHFFFAOYSA-N 314.389 2.614 0 40 DFAB CCCC[C@@H]1c2c(n(CCC)c(=O)[nH]c2=O)N[C@H]1C(F)(F)F 6429758 HUWLCCYVIZSBLU-PSASIEDQSA-N 319.327 2.577 0 40 DFAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C1CCCCC1 9452537 NKTXHQFVKWZYEW-UHFFFAOYSA-N 317.433 2.698 0 40 DFAB COc1ccc(OCCOC(=O)c2ccc3nccnc3c2)cc1 5419877 QMLSOPQJEONRKF-UHFFFAOYSA-N 324.336 2.874 0 40 DFAB O=C(NC[C@H](O)c1ccsc1)c1sccc1OC(F)F 73147154 DKMDXEMCMSIKQJ-QMMMGPOBSA-N 319.354 2.874 0 40 DFAB O=S(=O)(NCc1ccncc1)c1ccc(Cl)c(Cl)c1 6615096 PHCRAWDMTVBUOR-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C)cc2)cc1 4700137 VWVLZTHELHTKAG-UHFFFAOYSA-N 312.369 2.897 0 40 DFAB CC[C@H](NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1OC 95405500 PSDHJDARRWDZRN-AWEZNQCLSA-N 300.358 2.573 0 40 DFAB O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CC1 4870912 ORQSTQYNDLCNBJ-UHFFFAOYSA-N 309.774 2.990 0 40 DFAB CCCNc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1 15083763 VEXMPAKAENRZHG-CYBMUJFWSA-N 305.296 2.822 0 40 DFAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21 9531672 IECVSSYSHATINB-INIZCTEOSA-N 324.380 2.845 0 40 DFAB COc1ccccc1[C@@H](O)CNCc1c[nH]nc1C(C)(C)C 71819636 JXJDWNNBAGCLAL-AWEZNQCLSA-N 303.406 2.539 0 40 DFAB Cc1nc(C)c(C(=O)N2CCCN(C)c3cc(F)ccc32)o1 80448261 NYMUMUNQIMJQBC-UHFFFAOYSA-N 303.337 2.917 0 40 DFAB CC(C)(C)c1ncc(NC(=O)NC2CCN(C3CC3)CC2)cn1 71855476 XQSQWXTTWXGTRE-UHFFFAOYSA-N 317.437 2.522 0 40 DFAB CCCn1cc(C(=O)N[C@H](C)c2cn3ccsc3n2)c(C)n1 67955648 LJJUWIMVQYUBFL-LLVKDONJSA-N 317.418 2.802 0 40 DFAB CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)C[C@H]1CCOC1 71910745 RFWDKVKXWZWBBU-ZDUSSCGKSA-N 311.447 2.787 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCSC1 95460431 HOYASHIDBWNKDV-QWHCGFSZSA-N 308.451 2.769 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CCc2c(C)noc2C)cc1 8133324 YHGNKOOGYJJZRX-UHFFFAOYSA-N 301.346 2.821 0 40 DFAB COc1cccc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c1 84195349 IZSDPYBNBVQRHE-HNNXBMFYSA-N 301.342 2.810 0 40 DFAB COC1CCC(OC(=O)c2ccc(-n3ccnc3)cc2)CC1 97034346 VPYUTEZSFMFCEE-UHFFFAOYSA-N 300.358 2.987 0 40 DFAB Cc1[nH]c2ccc(C(=O)NC3CCC(C(N)=O)CC3)cc2c1C 69565385 ZOMIMTZIUGCWDS-UHFFFAOYSA-N 313.401 2.559 0 40 DFAB COc1cc(N[C@H]2CC[C@@H](C)C2)ccc1S(=O)(=O)N(C)C 97057722 NHNNSGDOXGONBT-NEPJUHHUSA-N 312.435 2.546 0 40 DFAB COc1ccccc1NC(=O)N[C@H](CO)[C@H](C)c1ccccc1 69777535 JGTFSTZIQMCCMV-CZUORRHYSA-N 314.385 2.981 0 40 DFAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1cccc(C(F)(F)F)c1 69812365 YESSTZRYKFHWNQ-CHNSCGDPSA-N 321.364 2.869 0 40 DFAB Cc1ccsc1C(=O)N1CCCN(Cc2cscn2)CC1 69810567 AIDABAKYPZMEEF-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCCOc1ccccc1 69927294 FIMVAKBMPBNHFG-OALUTQOASA-N 316.445 2.931 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 95411392 YMYUUDOAFOXHEB-HZPDHXFCSA-N 324.371 2.828 0 40 DFAB CC(C)[C@H](C(=O)Nc1ccc(Cl)cc1O)N1CCCC1=O 95974037 ZVUGXEWVAXMNAJ-CQSZACIVSA-N 310.781 2.631 0 40 DFAB O=S(=O)(c1cncc(F)c1)N1CC=C(c2cccs2)CC1 95960184 SFWLTZXNSLCCLR-UHFFFAOYSA-N 324.402 2.760 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccn1 95946554 WGZYOWRQPKYTCU-INIZCTEOSA-N 309.369 2.556 0 40 DFAB O=C(C[C@@H]1Cn2c(nc3ccccc32)NC1=O)Nc1ccccc1 1548338300 DKYRQZKITNWCCI-GFCCVEGCSA-N 320.352 2.633 0 40 DFAB COc1ccccc1N(Cc1ccc(C)cc1)S(C)(=O)=O 408625241 IPOIOKUWWBGGSZ-UHFFFAOYSA-N 305.399 2.970 0 40 DFAB O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCCCC1 170367161 KQYCLWXOCHHZDG-UHFFFAOYSA-N 301.173 2.944 0 40 DFAB Cc1nnsc1-c1nnc2sc(-c3ccccc3F)nn12 72403103 JEVRVUDRXRCADI-UHFFFAOYSA-N 318.362 2.819 0 40 DFAB CN(CC(=O)Nc1ccccc1F)C(=O)Oc1ccccc1 408998838 ORFGTTWKGXUDGS-UHFFFAOYSA-N 302.305 2.895 0 40 DFAB COc1cc(C(=O)N2CCSCC2)nc2c(C)cc(F)cc12 71768886 PFTYRLPTHGUAGQ-UHFFFAOYSA-N 320.389 2.880 0 40 DFAB O=C(O)CN[C@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 79416289 SNTUTLXNFPOXEH-DLBZAZTESA-N 302.418 2.636 0 40 DFAB CCc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218518997 TWJKISVPJIDOMZ-GVDBMIGSSA-N 301.411 2.516 0 40 DFAB Cc1ccc(C2=NO[C@@H]3CN(Cc4ccncc4C)C[C@H]23)cc1 72343276 VKNIUXSAIYILOP-ZWKOTPCHSA-N 307.397 2.933 0 40 DFAB Cc1ccc(F)cc1CN(C1CC1)S(=O)(=O)c1cccnc1 188185822 ZYVHWIPTEAHFFN-UHFFFAOYSA-N 320.389 2.882 0 40 DFAB Cc1ccccc1-c1noc([C@@H](C)Sc2nnc(C)n2N)n1 75075496 ZLAMEFRJLFHTGA-SECBINFHSA-N 316.390 2.512 0 40 DFAB COc1ccccc1Oc1ccc(C(=O)NCCCN(C)C)o1 72265313 XTHREBDZPDWYHO-UHFFFAOYSA-N 318.373 2.762 0 40 DFAB COc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1 225102360 IXVMMVQDFKCEIO-INIZCTEOSA-N 302.326 2.779 0 40 DFAB CCCCc1noc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 46087204 OLFKEHVMYCESJH-ZDUSSCGKSA-N 317.393 2.513 0 40 DFAB Cc1cc(-c2csc(NS(C)(=O)=O)n2)c(F)cc1F 130110014 VAMAKYSQJAHWLT-UHFFFAOYSA-N 304.343 2.768 0 40 DFAB CC(C)CCCNC(=O)NCc1ccnc(N2CCCC2)c1 40071284 ZDTPGYXWMIUYJL-UHFFFAOYSA-N 304.438 2.917 0 40 DFAB CC(C)(C)OC(=O)N1CC(N2Cc3ccccc3NC2=O)C1 83351170 FVASADIWKFEEMQ-UHFFFAOYSA-N 303.362 2.653 0 40 DFAB COc1ccc(CCC(=O)N2CCc3ccc(O)cc3C2)cc1 41660788 NHGRXYUSFLSBAO-UHFFFAOYSA-N 311.381 2.918 0 40 DFAB COCCCSc1ccc(NC(=O)[C@H]2CCCCN2)cc1 195542418 HOAZTMGQAKEIFB-OAHLLOKOSA-N 308.447 2.896 0 40 DFAB COCCOCC(=O)Nc1ccc2c(Cl)ccc(C)c2n1 195550329 GIQUYBYQDINFHE-UHFFFAOYSA-N 308.765 2.798 0 40 DFAB Cc1csc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1 96098961 DHYBGWPGVADKEZ-UHFFFAOYSA-N 303.309 2.702 0 40 DFAB COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccn(C)n1 96434416 SFOJUKBUOAYMHF-GFCCVEGCSA-N 302.378 2.524 0 40 DFAB O=c1cc(COc2nc(-c3ccccc3Cl)no2)occ1O 96411912 JRSIJYSNXVOUKM-UHFFFAOYSA-N 320.688 2.628 0 40 DFAB O=C(NC[C@](O)(c1ccco1)C1CC1)Nc1c(F)cccc1F 96096357 JJUAROYQTDHYHR-MRXNPFEDSA-N 322.311 2.977 0 40 DFAB CO[C@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cccnc1 96200486 PQVHVXNYZJIGIB-HOTGVXAUSA-N 316.426 2.544 0 40 DFAB O=C(Nc1ccc(-c2nccn2C(F)F)cc1)N1CC[C@@H](O)C1 97085220 BXUDTYNKRJRSKO-GFCCVEGCSA-N 322.315 2.544 0 40 DFAB Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)s1 96061133 CYSLECOVOAQXDO-HNNXBMFYSA-N 322.474 2.658 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccs1 245281266 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0 40 DFAB Cn1cc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2F)cn1 69661332 QRGNDNZCRVWUEW-HOTGVXAUSA-N 307.344 2.569 0 40 DFAB COc1ccccc1C(=O)N1CCC(Nc2cccnc2)CC1 69740729 ZIXYKRSSNLVSQJ-UHFFFAOYSA-N 311.385 2.807 0 40 DFAB COC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 9866060 RVUXZKZRKGMOTA-SNVBAGLBSA-N 315.163 2.794 0 40 DFAB CN(CCCn1ccnc1)Cc1cc(Cl)cc2c1OCOC2 95977331 YWTYSSHNJJACLE-UHFFFAOYSA-N 321.808 2.925 0 40 DFAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](CCO)C(C)(C)C)C2 95993439 DWDDUDQGZYNCHE-CVEARBPZSA-N 305.418 2.520 0 40 DFAB C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@@H]1O 97045219 CZVTVPKIIBUCJP-ABAIWWIYSA-N 309.356 2.616 0 40 DFAB COCCn1nc(C)c(NCc2ccc3c(c2)OCCO3)c1C 97049511 YPMNIZKGLBOXMK-UHFFFAOYSA-N 317.389 2.530 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2c2nn3cc(C)nc3s2)c1 72276487 UFMOETVYPQIULX-ZDUSSCGKSA-N 316.434 2.663 0 40 DFAB O=C(CCC(=O)c1ccccc1)NC1(C(=O)O)CCCCC1 72277078 SERVHVKYUDRVJK-UHFFFAOYSA-N 303.358 2.553 0 40 DFAB COCCOCC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 72282019 FVAUXGMAMXKROY-LBPRGKRZSA-N 318.200 2.760 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CCc1ccco1)C2 97198380 ZPYFDIPDJNANTJ-CYBMUJFWSA-N 315.417 2.837 0 40 DFAB O=C(O)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)o1 97231585 PLXNJDWGFBDTCF-UHFFFAOYSA-N 318.304 2.969 0 40 DFAB CC(C)C(=O)N1CCC(NC(=O)N2CCCCCCC2)CC1 84370518 GWNQLZDSJJMRQW-UHFFFAOYSA-N 309.454 2.609 0 40 DFAB CC(C)C[C@@H](CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1 89802481 DSCIBROGSHABFF-INIZCTEOSA-N 304.434 2.854 0 40 DFAB O=C(CCCc1nc(C2CC2)no1)Nc1ccnn1CC1CC1 89885075 YCRXAHHMMFUYQP-UHFFFAOYSA-N 315.377 2.515 0 40 DFAB C[C@H](OC(=O)c1ccccc1Cn1cncn1)c1ccccn1 76090603 CPGZHYFPTNZMGM-ZDUSSCGKSA-N 308.341 2.639 0 40 DFAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C)n1 27978284 JUQWBLDIDBUVFM-ZDUSSCGKSA-N 314.341 2.915 0 40 DFAB Cc1ccc(C(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)o1 409057792 WJZJSHDHACYBHE-LBPRGKRZSA-N 304.268 2.697 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3cccs3)nn2)cc1C 38651933 AKXKQBRZZZVWJL-UHFFFAOYSA-N 312.398 2.876 0 40 DFAB CO[C@@H](CNc1cc(C)nc2ncnn12)c1ccccc1Cl 301697887 ZZXZRCPYCBNKDW-ZDUSSCGKSA-N 317.780 2.886 0 40 DFAB COC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 39431393 ORSCXKBRFHLYEE-ACJLOTCBSA-N 315.369 2.789 0 40 DFAB O=C(Nc1cnc(-c2ccccc2)nc1)N[C@@H]1CCCOCC1 183071402 HLQMUPJTPIZGFU-CQSZACIVSA-N 312.373 2.834 0 40 DFAB CNc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)n1 72219084 HDQKADNYTYNAGT-UHFFFAOYSA-N 307.394 2.919 0 40 DFAB COc1ccc(C[C@@H](Oc2ccccc2OC)C(=O)O)cc1 225102322 IXVMMVQDFKCEIO-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB CC(C)n1cnc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 131472992 YAJLFKYYLFFIDO-UHFFFAOYSA-N 301.318 2.543 0 40 DFAB Cc1cn[nH]c1-c1ccc(O)c(I)c1 85393645 XAGWPGMKBYQUEC-UHFFFAOYSA-N 300.099 2.695 0 40 DFAB Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccco2)c(C(N)=O)c1C 96403807 ZVKLQYKADZAZLI-ZJUUUORDSA-N 304.371 2.799 0 40 DFAB CS(=O)(=O)c1c(Cl)cccc1NC(=O)NC1CCCC1 96435384 KRFFHZPVZJIGIM-UHFFFAOYSA-N 316.810 2.808 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCCCCC2)C1 96193107 JECFSYWNOUKKPJ-SFHVURJKSA-N 316.401 2.981 0 40 DFAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc21 96182903 PBDKXZYCPYHYBU-UHFFFAOYSA-N 322.430 2.527 0 40 DFAB Cc1cc(C(CC(=O)O)CC(=O)O)ccc1Br 95884049 BNNXNTIECPGWRX-UHFFFAOYSA-N 301.136 2.791 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)n1C1CC1 96494238 JHBANAQYHQGZLA-HNNXBMFYSA-N 313.405 2.925 0 40 DFAB Fc1ccc2c(c1)OCCC[C@H]2NCCOC[C@@H]1CCCO1 97237999 HSADIYVNLHCEND-GOEBONIOSA-N 309.381 2.825 0 40 DFAB CCOC[C@H]1COCCC12CCN(Cc1c(C)noc1C)CC2 96106395 SCDXAJYNSPTJLK-INIZCTEOSA-N 322.449 2.947 0 40 DFAB c1cc(CN2CCC3(C2)CN(CC2CCOCC2)C3)cs1 96046498 XSIDNUWNCFGEMW-UHFFFAOYSA-N 306.475 2.682 0 40 DFAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CCN2CCCCC2)C1 248294260 VXPWVGAOLAXFCC-QGZVFWFLSA-N 318.465 2.689 0 40 DFAB CCn1cc(CN2CCC[C@@H]2c2cc(NC)nc(C)n2)c(C)n1 257227608 FQBZEHZOLZMUKZ-MRXNPFEDSA-N 314.437 2.689 0 40 DFAB COc1cccc(F)c1CN1CCC2(CC1)OCCC[C@@H]2OC 257291874 QJABBNROVLIEBC-KRWDZBQOSA-N 323.408 2.994 0 40 DFAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1c(F)ccc(O)c1F 252488936 JCGZFNAWTXDUCS-OWRWGESLSA-N 301.292 2.739 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@@H]2N 253504081 CPNKFWQTLWHDPO-YPQZYRTGSA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro c1ccc(CCN2CC3(CO[C@H](Cc4cccnc4)C3)C2)cc1 257323505 WKMCGMVDNNZGNC-LJQANCHMSA-N 308.425 2.958 0 40 DFAB Cc1nccn1-c1ncc(NC(=O)/C=C/c2ccccc2)cn1 85470429 HBZTVQQRICVCLG-BQYQJAHWSA-N 305.341 2.623 0 40 DFAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccco1 253473785 YKNKKKISSRRKLQ-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB Cc1nccc(OC2CCN(C(=O)c3cccs3)CC2)n1 585147057 ZKMVAFIGQVUXDE-UHFFFAOYSA-N 303.387 2.530 0 40 DFAB CC(=O)Nc1cc(F)c(F)cc1NCC(=O)Nc1ccccc1 69419247 WDQPJFCEZQJABK-UHFFFAOYSA-N 319.311 2.974 0 40 DFAB Cc1nnc([C@H](C)S(=O)(=O)Cc2csc(C(C)C)n2)o1 50037665 QUHRMJQPURKRJC-QMMMGPOBSA-N 315.420 2.634 0 40 DFAB CN(C(=O)c1ccc2ccccc2n1)c1ccc(C(N)=O)cc1 55980038 ADUZCKPHXBUFDG-UHFFFAOYSA-N 305.337 2.610 0 40 DFAB CC[C@H]1CCCCN1CCNC(=O)CCc1nnc(C(C)C)o1 76094117 FUBOWJFZUXNSCG-AWEZNQCLSA-N 322.453 2.506 0 40 DFAB CN(Cc1ccc(Cl)cc1)c1nccc(N2CCOCC2)n1 79112669 UJZGPLXIMSGDIG-UHFFFAOYSA-N 318.808 2.603 0 40 DFAB CCn1cc(CC(=O)OC[C@H]2COC(C)(C)O2)c2ccccc21 83773235 JBJKOVDEKCBRSO-AWEZNQCLSA-N 317.385 2.898 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](N)[C@@H]2O 12660212 ZUUSQEHYADUJAR-CJZYGSATSA-N 307.478 2.688 0 40 DFAB biogenic Cc1c(C(=O)O)cc(C(C)(C)C)n1CCCN1CCOCC1 113744 CZNIFSBECUXHHB-UHFFFAOYSA-N 308.422 2.515 0 40 DFAB Clc1cnccc1OCC1CCN(CCn2cccn2)CC1 1849482557 AFLMUIXSXJOUHV-UHFFFAOYSA-N 320.824 2.723 0 40 DFAB COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 100039 PCCRYRRYEQKQHV-UHFFFAOYSA-N 309.321 2.732 0 40 DFAB biogenic CCCc1cc(=O)[nH]c2nnc(SCc3cccc(F)c3)n12 4250336 VIDMUMUVVRYZDM-UHFFFAOYSA-N 318.377 2.802 0 40 DFAB Cc1ccc2oc(C(=O)NCc3ccc4c(c3)OCO4)cc2n1 8798536 GMVQUASMOGEHLF-UHFFFAOYSA-N 310.309 2.795 0 40 DFAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1 12443989 PFSWMNHTAHQFIL-UHFFFAOYSA-N 303.337 2.646 0 40 DFAB O=C(c1cc(C2CC2)on1)N1CC[C@@]2(COc3ccccc32)C1 2055793348 RQQCUWVETDDRFR-SFHVURJKSA-N 310.353 2.728 0 40 DFAB Cn1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)cn1 341778050 VHAFQDOQTKZRCV-INIZCTEOSA-N 319.355 2.995 0 40 DFAB O=S(=O)(NCCc1cccnc1)c1cccc2ccccc12 83981207 XDTXLGFBXRLFLK-UHFFFAOYSA-N 312.394 2.756 0 40 DFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F 28727062 BGWBNUFYBIMZRP-GFCCVEGCSA-N 322.405 2.666 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2nc3ccccn3c2F)cc1 40282878 CQXJCWJLTFYKMB-UHFFFAOYSA-N 312.304 2.684 0 40 DFAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(F)cc1 31098293 KLNDEWHSSFWKAE-CQSZACIVSA-N 304.321 2.689 0 40 DFAB Cc1c(C(=O)N2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 40487975 JXBGDSUOCGVGTL-UHFFFAOYSA-N 324.306 2.831 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 100794319 JEAQYVYCQICVNY-KCQAQPDRSA-N 316.376 2.813 0 40 DFAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N(C)Cc2ccco2)cc1 32664841 GHTPVKMHKORXBT-GFCCVEGCSA-N 300.358 2.941 0 40 DFAB Cc1nn2c(=O)cc(CN(C)C3CCCCCC3)nc2s1 52331417 TXGMTDATHGQGAD-UHFFFAOYSA-N 306.435 2.614 0 40 DFAB O=C1O[C@H](C(=O)N[C@H]2CCc3ccccc32)Cc2ccccc21 32843562 TVYGVTDXBHBARU-IRXDYDNUSA-N 307.349 2.572 0 40 DFAB CCO[P@@]1(=O)C(CCO)=CN(c2ccccc2)N=C1C(C)=O 547685 CPKZBZGAXQEJQU-QFIPXVFZSA-N 322.301 2.948 0 40 DFAB O=C(CC1CCCC1)NC[C@@H](c1cccs1)N1CCOCC1 22767051 NFDDUACXQTZZQG-HNNXBMFYSA-N 322.474 2.818 0 40 DFAB COc1cc(OC)c(OC)cc1CNCc1ccc(C)nc1 47826035 GGAIOGIADPQLQT-UHFFFAOYSA-N 302.374 2.706 0 40 DFAB CC(C)OCCOC[C@H](O)CN(C)Cc1ccccc1Cl 78254846 FUSOSWFLPYOXOO-OAHLLOKOSA-N 315.841 2.574 0 40 DFAB Nc1nccnc1C(=O)N[C@@H](Cc1ccccc1)C1CCCC1 78727367 XLLBHJVTVFUEBY-HNNXBMFYSA-N 310.401 2.590 0 40 DFAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@@H]1C[C@@H](C)C(=O)C3 1597206 CHQACNHFEZBGIP-DGFNZTNHSA-N 315.413 2.514 0 40 DFAB COc1ccccc1CCNCc1cn(C)nc1-c1ccncc1 97159768 AJJUWPPXVIUDBY-UHFFFAOYSA-N 322.412 2.823 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ncnc2sccc12 2618711 AXBQLPDOPHSERH-PWSUYJOCSA-N 305.403 2.765 0 40 DFAB COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O 7609719 VLISQXAHUPPBIY-CQSZACIVSA-N 324.380 2.995 0 40 DFAB O=C(/C=C/c1cnccn1)N[C@@H]1CCCOc2ccc(F)cc21 95369450 LNTQTVAGYDNHOH-CSPWOOARSA-N 313.332 2.659 0 40 DFAB O=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1ccncc1 48010233 HWGPAYMBLZZHPV-QGZVFWFLSA-N 316.426 2.791 0 40 DFAB COCc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1 25303989 VYUCZUURDBWFLY-UHFFFAOYSA-N 312.369 2.721 0 40 DFAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCOCC3)c(C)c12 25525299 KJDOIDLIMKNALO-UHFFFAOYSA-N 317.414 2.658 0 40 DFAB C[C@@H](NC(=O)N1CCOCC1)c1nc(-c2ccccc2)cs1 107325237 CJKZHXCTIAEGAP-GFCCVEGCSA-N 317.414 2.913 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)OCc2ncc(C)o2)cc1 97147610 DTXYKBKIBNHHMZ-UHFFFAOYSA-N 313.313 2.739 0 40 DFAB CC[C@H](Nc1ccc2nnnn2n1)c1ccc2c(c1)CC(C)(C)O2 95395788 YCLDMVBEAPHHDJ-ZDUSSCGKSA-N 324.388 2.796 0 40 DFAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCN1CCCCC1 48220979 OGEBMAHZDQHWBB-UHFFFAOYSA-N 318.465 2.731 0 40 DFAB CC[C@@H]1CCc2sc(C(=O)N(C)S(=O)(=O)CC)cc2C1 58161053 JWFDQBNUXWDMFO-SNVBAGLBSA-N 315.460 2.685 0 40 DFAB CCSc1nnc([C@H]2CCCN2Cc2ccncc2)n1C 57721835 XEDLWIFEEGRFCT-CYBMUJFWSA-N 303.435 2.659 0 40 DFAB COc1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 44890743 STXKWKDSZUDWOP-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB O=C(NCCc1cccc(O)c1)c1cncc(Br)c1 58278559 LBVSVTIJIKRXSN-UHFFFAOYSA-N 321.174 2.522 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2cnn(C[C@H]3CCCO3)c2)o1 58268062 SUYCSGJMEZMMBE-LQYUOIDQSA-N 301.346 2.615 0 40 DFAB CCC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C(N)=O)c[nH]1 95407974 JQHRYDFBOORTIR-MRXNPFEDSA-N 311.385 2.653 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)cn1 58342827 UXRRGGKAKWAZKZ-AWEZNQCLSA-N 300.362 2.798 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2)C1 58401451 ATTBUHIBYSXQQO-CQSZACIVSA-N 324.852 2.955 0 40 DFAB CCOC(=O)CN(C)Cc1cc(=O)oc2cc(C)c(Cl)cc12 58427283 ACEBGWWFAFILMY-UHFFFAOYSA-N 323.776 2.750 0 40 DFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NCCc1ccsc1 48332257 LIQSHZSHZWXZKH-CQSZACIVSA-N 320.462 2.901 0 40 DFAB COC(=O)C[C@@H](NC(=O)[C@H](C)OCC(C)C)c1ccc(C)cc1 48333613 KBNPKJYWJKANDU-GOEBONIOSA-N 321.417 2.777 0 40 DFAB CCOC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1 2405042 MXZROMBZGZFYHA-UHFFFAOYSA-N 320.780 2.562 0 40 DFAB COc1cc(CNC(=O)NCc2cccc(Cl)c2)ccn1 45635833 YIHOGJNKGMZJKA-UHFFFAOYSA-N 305.765 2.743 0 40 DFAB CCONC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 11739908 JSBXZHRDKLCDJT-UHFFFAOYSA-N 308.341 2.616 0 40 DFAB Clc1cccc(N2CCN(Cc3nc(C4CC4)no3)CC2)c1 29524899 MVPIMONVXLMMAD-UHFFFAOYSA-N 318.808 2.923 0 40 DFAB Cc1cc(S(=O)(=O)Nc2cccc(F)c2)sc1C(=O)O 37238708 SXOATFSUNBAHJP-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)Nc1ccn(C)n1 2781446 ZQBXURXNWPDOKA-SSDOTTSWSA-N 317.727 2.716 0 40 DFAB C[C@H]1CN(c2ccc(NC(=O)NC3CC3)cc2F)C[C@@H](C)O1 48538579 UAHSWNCKSZDVMV-PHIMTYICSA-N 307.369 2.723 0 40 DFAB Cn1cnnc1SCC(=O)c1ccc(Br)s1 3512999 AFJZLYRMPQOFMJ-UHFFFAOYSA-N 318.221 2.614 0 40 DFAB CC(C)CCNC(=O)CSc1nnc(Cc2ccccc2)o1 9376386 HNKHNNDKEJKUBU-UHFFFAOYSA-N 319.430 2.915 0 40 DFAB COc1ccccc1OCC(=O)Nc1onc2c1C[C@H](C)CC2 9302801 DPNUBCJBDLPURF-LLVKDONJSA-N 316.357 2.826 0 40 DFAB COC(=O)c1ccccc1Sc1ncnc2onc(C)c12 6188480 PICKLOQETIYAEN-UHFFFAOYSA-N 301.327 2.864 0 40 DFAB O=C(Nc1ccco1)c1cccc(NC(=O)[C@H]2CCCO2)c1 13843367 LUXTUQXDQQZWIB-CYBMUJFWSA-N 300.314 2.649 0 40 DFAB CCOC(=O)c1ccsc1NC(=O)c1cccnc1OCC 14094012 TUJMSYGZAHDJCA-UHFFFAOYSA-N 320.370 2.971 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccc(F)cc2)c1 9479481 MEEOVQMTZCSXMC-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB CSc1nnc(COc2nnc(-c3ccccc3)o2)s1 65692244 YKRVVRJARHLJPS-UHFFFAOYSA-N 306.372 2.889 0 40 DFAB CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1 6499220 RCBHPYNDWQSULX-WDEREUQCSA-N 321.423 2.853 0 40 DFAB CCCN1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 14252447 XDTMWWRBMRFLKJ-UHFFFAOYSA-N 324.490 2.765 0 40 DFAB Cc1ccccc1-n1c(=O)c2ccccc2n2c(S)nnc12 6507820 PKOPFZJHNFMINT-UHFFFAOYSA-N 308.366 2.631 0 40 DFAB CC1CCC2(CC1)NC(=O)N(Cc1nc3ccccc3o1)C2=O 6561529 HOSLMFIGHIVQKI-UHFFFAOYSA-N 313.357 2.829 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2ccccc2n1 5604952 RXCBXJXFOSEIMD-UHFFFAOYSA-N 306.321 2.894 0 40 DFAB CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(Cl)nc1 66582221 XVXUCZPCAYNAHY-UHFFFAOYSA-N 318.185 2.609 0 40 DFAB CC(=O)NC1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 72581272 NQTWZWOBDAIQAR-UHFFFAOYSA-N 309.797 2.781 0 40 DFAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1C[C@H]1CCCO1 4939434 BFNFPRTUBJPXGD-SNVBAGLBSA-N 303.749 2.710 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1C 4976892 ZNUWGMLYDGTLCP-AWEZNQCLSA-N 300.402 2.715 0 40 DFAB Cn1ccnc1C[C@@H](NC(=O)c1ccc(F)nc1)c1ccccc1 72529248 XRMYPSQSMWQGTA-OAHLLOKOSA-N 324.359 2.668 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)NCc1csc(C)n1 15832208 DERJPHWHNVJQRI-SNVBAGLBSA-N 306.387 2.544 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CN(C)c2ccccc2)c1 7589266 WFFVJMZMIFFKTJ-UHFFFAOYSA-N 312.369 2.857 0 40 DFAB Cc1nc(N(C)C[C@@H]2COc3ccccc3O2)c2cc[nH]c2n1 80944924 FWRCJZBZAJHTPZ-GFCCVEGCSA-N 310.357 2.543 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1cccnc1 81529297 ALKALDBWYHLWID-CQSZACIVSA-N 310.401 2.632 0 40 DFAB C[C@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1F)C1CCOCC1 95416809 ZBUWCNYVGHLYPI-ZBINZKHDSA-N 324.371 2.935 0 40 DFAB CCC(=O)NCC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 69367292 IHZFELNYVPMGTC-UHFFFAOYSA-N 313.357 2.647 0 40 DFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)[C@@H]1C[C@H]1C 69489965 DAJYDCZNUPTALZ-TZMCWYRMSA-N 318.442 2.779 0 40 DFAB Cn1nccc1[C@@H]1CCCN(CCC(=O)Nc2ccccc2)C1 69441219 PKIGQZDWMQNWLH-OAHLLOKOSA-N 312.417 2.628 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc2[nH]cnc2c1 69537468 ZKYVGLRMGWYWNE-DZGCQCFKSA-N 307.353 2.857 0 40 DFAB CCc1nc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)cs1 69971285 CUPUPJCAVPJPJX-CQSZACIVSA-N 318.446 2.526 0 40 DFAB Cn1cccc1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)c(F)c1 97036468 CHUUTFNSHZYNSU-LBPRGKRZSA-N 324.739 2.763 0 40 DFAB Cc1nc(COc2ccccc2C(=O)NCc2ccccc2)no1 8750510 TXHRGKMZZHQMSK-UHFFFAOYSA-N 323.352 2.887 0 40 DFAB COc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C(C)C 8714872 BLFHKCPPXXOMQW-UHFFFAOYSA-N 308.403 2.869 0 40 DFAB CS[C@@H](CO)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)s1 95445667 VLCLNEAZDZWVCJ-GRGONOBASA-N 305.852 2.643 0 40 DFAB CCNC(=O)[C@@H](C)Sc1nc(NCC)c2ccccc2n1 8938545 WAPCADRHYSOTHX-SNVBAGLBSA-N 304.419 2.678 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2ccc(Cl)o2)c(C)nn1C 72234341 RNTLNGRGYRWJSF-JTQLQIEISA-N 323.780 2.961 0 40 DFAB CC(C)CSCCN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 95446973 OLEKZIMHEXFLAG-MRXNPFEDSA-N 324.421 2.982 0 40 DFAB C[C@H](CN[C@H](C)c1ccc(Cl)cc1)CN1CCN(C)CC1 95421859 MWWWLYQTMASITP-HUUCEWRRSA-N 309.885 2.874 0 40 DFAB CCc1nc2c(s1)[C@@H](N[C@H]1CCCN(CCOC)C1)CCC2 95422077 GZZHSOLEBYGMLJ-KBPBESRZSA-N 323.506 2.783 0 40 DFAB CC(C)N1CC[C@@H](NC(=O)N2CCC2)[C@@H]1c1ccc(F)c(F)c1 95996926 SLJFLFHHKIMFMZ-CVEARBPZSA-N 323.387 2.904 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1F 9951190 SQDSMRMQKUXYFZ-VIFPVBQESA-N 321.279 2.854 0 40 DFAB CCc1noc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)n1 65286348 UJDAFQITVDVNDJ-ZDUSSCGKSA-N 318.377 2.533 0 40 DFAB COC(=O)c1cc([N+](=O)[O-])cc2c(Cl)nc(Cl)nc12 39351415 BXOLUBMUFDMSQP-UHFFFAOYSA-N 302.073 2.631 0 40 DFAB CC(C)OC1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 550804709 OEAUCFZFOWUAPE-HNNXBMFYSA-N 303.402 2.838 0 40 DFAB CC(C)(C)SCCOC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 79037408 JKKKYIOFEIUISP-IINYFYTJSA-N 317.476 2.515 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 33146053 FSXJITGRCVQNQQ-MRXNPFEDSA-N 324.336 2.605 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2[C@@H](O)CCCC[C@H]2N1Cc1ccccc1 212416145 JLSLXMNHMAAYET-TVFCKZIOSA-N 317.429 2.744 0 40 DFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 44883295 YWKPJKLGXJZKRH-PXAZEXFGSA-N 313.353 2.712 0 40 DFAB CC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 225591840 BWBBUCVSZLSXPA-UHFFFAOYSA-N 304.390 2.672 0 40 DFAB CCO[C@](C)(C(=O)Nc1ccc(OC)c(C(=O)OC)c1)C1CC1 225835431 FYSGWCIWDYPCLU-KRWDZBQOSA-N 321.373 2.626 0 40 DFAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCCC1 225434920 IKZBKJSVPMWJTO-JTQLQIEISA-N 304.321 2.770 0 40 DFAB biogenic,in-vitro COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C2CC2)cc1 44889153 MLJCHTWBSMIAMC-HNNXBMFYSA-N 305.374 2.604 0 40 DFAB OC[C@H]1CCCN1Cc1csc(CCc2ccccc2)n1 84677630 XXGZTXJWOSERJC-MRXNPFEDSA-N 302.443 2.885 0 40 DFAB CCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 224267814 YHOXLKOGNYMOIE-UHFFFAOYSA-N 324.178 2.868 0 40 DFAB CCOc1ncc(NC(=O)C(C)(C)Br)cc1C 225880414 LIKBNJKWGSGYKA-UHFFFAOYSA-N 301.184 2.901 0 40 DFAB O=S1(=O)CCCC[C@H]1CNc1cncc(-c2cccs2)n1 574222181 QYJVKBFEFUWVPC-NSHDSACASA-N 323.443 2.584 0 40 DFAB O=C(c1cc2c(cn1)OCCO2)N1CCC[C@@H](c2ccccc2)C1 577385542 ICCUHPNZSHSUQQ-OAHLLOKOSA-N 324.380 2.873 0 40 DFAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 577756121 RJHITFWRBXGRIV-WQVCFCJDSA-N 319.449 2.938 0 40 DFAB O=C(c1cccnc1)N1CC[C@H](OCCCc2ccccc2)C1 96456471 JGEVMVIRISRXEH-SFHVURJKSA-N 310.397 2.946 0 40 DFAB Cc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)CC2 96187596 NLOZJRCBUSZTKK-UHFFFAOYSA-N 301.777 2.679 0 40 DFAB c1cncc(NC[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccco2)c1 96250148 YKDFBARVWSORPM-BMGDILEWSA-N 313.401 2.766 0 40 DFAB Cc1cccc(CN2C(=O)CCC23CCN(CC2CC2)CC3)n1 96228290 SCVLYBPVFVDVIO-UHFFFAOYSA-N 313.445 2.757 0 40 DFAB C[C@](O)(CN1CCCCC[C@@H]1/C=C/c1ccccc1)C(=O)O 580202140 UITDXOYWPHWXNO-KBXJCHCYSA-N 303.402 2.780 0 40 DFAB CC(C)n1cnc2ccc(NC(=O)c3ccncc3)cc2c1=O 95472100 UPEPZSGZQJOWSD-UHFFFAOYSA-N 308.341 2.625 0 40 DFAB Fc1cc(Br)cnc1I 95762497 KHKQFFYXJLITMF-UHFFFAOYSA-N 301.884 2.588 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)NC[C@@H](O)c1cccs1 96415539 SJHLYVVEERZNAD-BXUZGUMPSA-N 322.405 2.851 0 40 DFAB COC[C@H]1CCC2(CCN(C(=O)c3ccccc3F)CC2)N1C 96208701 GGJJFRSEZLFAGJ-CQSZACIVSA-N 320.408 2.541 0 40 DFAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCC[C@@H]1CO 95961123 WZZWPLCPFVBMAP-GFCCVEGCSA-N 320.780 2.514 0 40 DFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(C(N)=O)CC1 95450233 PWADVWVYCXBFHT-UHFFFAOYSA-N 315.200 2.607 0 40 DFAB OC1(CN2CCC(Nc3ncccc3F)CC2)CCCCC1 96494560 WIAFDEAMLTWAQG-UHFFFAOYSA-N 307.413 2.792 0 40 DFAB COc1ccc(-c2noc(C[C@@H](O)c3cccc(F)c3)n2)cn1 97102194 MIJLBDRLQALGMG-CYBMUJFWSA-N 315.304 2.555 0 40 DFAB Cc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 242543543 KEVQLNPQEAOFLR-PMPSAXMXSA-N 321.829 2.915 0 40 DFAB c1cnc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cn1 257309212 TZZGWTWLZJWKFX-HNNXBMFYSA-N 311.385 2.627 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCCC[C@H]1c1ccn[nH]1 257316356 VFFBRUFYIVGNGJ-INIZCTEOSA-N 309.369 2.939 0 40 DFAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)/C=C/c1ccco1 96120725 LJTXYTOEEYJVBT-BQYQJAHWSA-N 312.373 2.939 0 40 DFAB CN(C)C[C@@H]1CCn2nccc2CN1Cc1cccc2[nH]ccc12 585096993 GLNWAKSXWRKWSM-INIZCTEOSA-N 323.444 2.701 0 40 DFAB Cc1cc(N2CCN(c3ccnc4ccccc34)CC2)ncn1 584414870 LNZIRODYVXXAAZ-UHFFFAOYSA-N 305.385 2.660 0 40 DFAB CN(C[C@@H]1CCCO1)[C@@H]1CCN(c2ccccc2Cl)C1=O 72277663 DASNGMQSNRKCSO-SWLSCSKDSA-N 308.809 2.556 0 40 DFAB Cc1nccc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1 72297510 GLRXJZLSFKZEOZ-CYBMUJFWSA-N 316.430 2.878 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)cn1 72298862 INMRXNDFRMHSQY-ZDUSSCGKSA-N 317.414 2.875 0 40 DFAB CCc1noc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 40489599 COVTYYQCXYHPMI-CYBMUJFWSA-N 315.373 2.740 0 40 DFAB O[C@@H]1[C@@H](NCc2ccncc2)CCC[C@H]1Oc1cccc(F)c1 1615153485 JSBJNCSABCLTQR-RCCFBDPRSA-N 316.376 2.671 0 40 DFAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC[C@H](C)C3)ccc21 12291138 LYFPXGQILICRLL-IFXJQAMLSA-N 316.445 2.751 0 40 DFAB COc1ccc2cc(CNCc3ccccc3F)c(=O)[nH]c2c1 13998934 FVXPHKIUHYAOLD-UHFFFAOYSA-N 312.344 2.966 0 40 DFAB CC(C)c1noc(CCC(=O)NCc2cc(F)cc(F)c2)n1 24772577 AADHBCVCXWDIJN-UHFFFAOYSA-N 309.316 2.720 0 40 DFAB Cc1nsc(N2CCN(Cc3cc(F)cc(F)c3)[C@H](C)C2)n1 2086934290 MOZSEJSCWXKCCS-SNVBAGLBSA-N 324.400 2.835 0 40 DFAB O=c1c2cccnc2[nH]c(=S)n1CCCN1CCCCCC1 424572 ZDXFERBEJSVBDL-UHFFFAOYSA-N 318.446 2.720 0 40 DFAB COc1cccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)c1 2055814223 SSHJJSBJBYXAMR-GOSISDBHSA-N 302.418 2.672 0 40 DFAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2cccs2)c1 38717459 BYKPYWFWYHBUMC-UHFFFAOYSA-N 302.399 2.662 0 40 DFAB COC(=O)CCCC(=O)c1ccc(OCCN2CCCC2)cc1 575359175 UVBYEOWKTDGECG-UHFFFAOYSA-N 319.401 2.687 0 40 DFAB CC(C)c1nnc(N2CCC(NC(=O)C3CCC3)CC2)s1 362222439 YNQJQZPXGYZKSG-UHFFFAOYSA-N 308.451 2.547 0 40 DFAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1 2699232 XGYYXLQJZTWLCG-UHFFFAOYSA-N 304.313 2.567 0 40 DFAB CSc1ncccc1C(=O)NCC[C@H](O)c1cc(C)oc1C 85561397 NCUSMORZSQRQGM-AWEZNQCLSA-N 320.414 2.867 0 40 DFAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cn1 30009537 NKINHFDGHWMICD-VIFPVBQESA-N 307.300 2.808 0 40 DFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc2c(s1)CCC2 30252989 QFJNOBYGONAXOG-UHFFFAOYSA-N 300.339 2.924 0 40 DFAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)cc1 20102354 BXDGVMQHGYUZJY-OAHLLOKOSA-N 320.352 2.521 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N3C[C@H]4CCCC[C@H]4C3)C2=O)cc1 100237930 DWFZRYZAJWLOET-HLLBOEOZSA-N 312.413 2.749 0 40 DFAB COc1cccc(N2CCN(C[C@H](O)c3ccccc3)CC2)c1 20218758 ZSMJWQRXSMJHBQ-IBGZPJMESA-N 312.413 2.551 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 40541240 ACUOZLDOAJFUJH-MRXNPFEDSA-N 318.417 2.746 0 40 DFAB COc1cc(CNn2cnnc2)ccc1OCCc1ccccc1 20881461 QUNPAHRIVAXNMR-UHFFFAOYSA-N 324.384 2.652 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1 358939 VNBMFKQRHPPCHA-UHFFFAOYSA-N 322.430 2.646 0 40 DFAB COc1cccc(C(N)=O)c1OCCOc1ccccc1Cl 21471882 VLUASTQOGULLDI-UHFFFAOYSA-N 321.760 2.905 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1 53733665 XITNCDGAWHCXSK-SECBINFHSA-N 314.320 2.878 0 40 DFAB COc1ccc([C@@H](C)NC(=O)CC(C)(C)CC(=O)O)c(OC)c1 42183889 HZTJYIWPLKXWPY-LLVKDONJSA-N 323.389 2.772 0 40 DFAB CCCCc1nnc(NC(=O)NCc2csc(C)n2)s1 47350647 NCQOSBVPMCNUHQ-UHFFFAOYSA-N 311.436 2.967 0 40 DFAB CCOC(=O)c1cc([C@@](C)(O)CCc2ccc(OC)cc2)on1 12410819 RXYSBWAAEWVVBD-KRWDZBQOSA-N 319.357 2.700 0 40 DFAB CCC(CC)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1 72295653 WDIFGNZCZKOFIR-ZDUSSCGKSA-N 317.393 2.647 0 40 DFAB CC(=O)Nc1ccc2c(c1)Cc1cc(N3C(=O)C=CC3=O)ccc1-2 1681532 NLWCYSWJRWTLHP-UHFFFAOYSA-N 318.332 2.646 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1cccnc1-n1ccnc1 105567543 JPAZEHSJCYZTGA-OFQRWUPVSA-N 310.401 2.710 0 40 DFAB CCOC(=O)CSCC(=O)Nc1ccc(C)c(Cl)c1 7506491 XESJTCUKWPNLPA-UHFFFAOYSA-N 301.795 2.883 0 40 DFAB C[C@@H](NC(=O)CN(C)Cc1ccc(F)cc1F)c1ccco1 25051871 HYGAUWQBNKCCFA-LLVKDONJSA-N 308.328 2.867 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106765592 OWCPIDVLJHJNPO-SDDRHHMPSA-N 315.339 2.840 0 40 DFAB CC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc2[nH]c(=O)[nH]c2c1 58014122 RHPRLVIVORUWRC-CXUHLZMHSA-N 318.336 2.662 0 40 DFAB CN(C)[C@@H](CNC(=O)N1CCc2sccc2C1)c1ccco1 44895073 UODZRBMUBIIPGL-ZDUSSCGKSA-N 319.430 2.712 0 40 DFAB COc1ccc(OCC(=O)NCCOc2ccccc2C)cc1 55954444 LVNCFARAJJEISX-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 58341068 HJWOICPPMHVXMC-RYUDHWBXSA-N 319.792 2.775 0 40 DFAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1cnn(C)c1 58314863 QRXIFTLLTCUXOB-UHFFFAOYSA-N 311.389 2.544 0 40 DFAB C[C@@H]1CN(C(=O)c2cccnc2S)C[C@H](c2ccccc2)O1 58404354 XYDTWBBNCSDAHI-IUODEOHRSA-N 314.410 2.973 0 40 DFAB CCn1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c23)n1 36613667 SUPIRSIBJTUEQD-JTQLQIEISA-N 313.361 2.547 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(Cl)o1 29558756 WRFFHSKXWGGWPX-UHFFFAOYSA-N 305.765 2.858 0 40 DFAB CO[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc2c(c1)OCO2 2522293 RBOSXAXOBCGTNC-QGZVFWFLSA-N 301.342 2.601 0 40 DFAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccnn1C 2768561 LOJJAQXFWLMBGV-UHFFFAOYSA-N 309.373 2.534 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@H]1c1ccsc1 47028415 LCIQPQCKNMXVJJ-JSGCOSHPSA-N 304.419 2.880 0 40 DFAB COc1ccc(CN(C)[C@H](C)C(=O)NC2CCCC2)cc1OC 13119686 MNISJFDTNROAQB-CYBMUJFWSA-N 320.433 2.583 0 40 DFAB COc1ccc(NC(=O)CN(C)Cc2nc3ccccc3[nH]2)cc1 9156244 XXCFUFJLHLYDFF-UHFFFAOYSA-N 324.384 2.642 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1F 13349004 LJBCUDBBEBOXNO-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1cnc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 96011522 IVCNSWSCOIQLCB-NSHDSACASA-N 304.419 2.684 0 40 DFAB CCOc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5297450 HBFUJOQXUGELCE-INIZCTEOSA-N 322.364 2.979 0 40 DFAB Cc1nccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1 65490973 KPMPBZGJFXQFGE-QGZVFWFLSA-N 304.353 2.699 0 40 DFAB CCn1nnnc1SCC(=O)c1cc(C)c(C)c(C)c1C 14246896 PNZLQSDJOPVTBM-UHFFFAOYSA-N 304.419 2.902 0 40 DFAB CC(C)[C@@H](NC(=O)c1cc[nH]n1)c1nc(-c2ccccc2)no1 65892301 BGSKLWFIKFUIPA-CYBMUJFWSA-N 311.345 2.587 0 40 DFAB C[C@H](C(=O)Nc1ccccc1F)n1cnc2ccccc2c1=O 5453378 LEEKBQGYHCMGEV-LLVKDONJSA-N 311.316 2.735 0 40 DFAB O=C(OCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1 5559261 OHAGJXJQPZEJLT-UHFFFAOYSA-N 317.172 2.558 0 40 DFAB Cc1ccccc1CN(C)CC(=O)NC(=O)NC1CCCCC1 6602621 ALMZRYGTSKUIAN-UHFFFAOYSA-N 317.433 2.585 0 40 DFAB CCCn1c(=O)n(CC(=O)Nc2ccccc2)c2ccccc21 15573773 HGQLRIHWGDCACZ-UHFFFAOYSA-N 309.369 2.852 0 40 DFAB O=S(=O)(NCCc1cccs1)c1ccc(F)c(F)c1F 7310107 DAWVWFRSWAVJDD-UHFFFAOYSA-N 321.345 2.686 0 40 DFAB Cc1cccc(C)c1OCCCNc1ccc2nnc(C)n2n1 68670115 YIZUYJWDSISFGG-UHFFFAOYSA-N 311.389 2.931 0 40 DFAB O=C(OCc1cn2ccccc2n1)c1cc(=O)c2ccccc2o1 8134938 GMHLKWKBXJLNDN-UHFFFAOYSA-N 320.304 2.798 0 40 DFAB Cc1cc(NC(=O)CCc2c[nH]c3c(C)cccc23)nc(O)n1 97082727 RMBQUCNDXUKFLT-UHFFFAOYSA-N 310.357 2.852 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CC[C@H]2CCCO2)n1 70039910 ZPHJIFFXEUYNPU-DLBZAZTESA-N 319.449 2.840 0 40 DFAB O=S(=O)(Cc1ccccc1F)N1CCC[C@@H]1c1ccccn1 69328157 MKFLHJRSCUXTNJ-MRXNPFEDSA-N 320.389 2.888 0 40 DFAB Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CC(=O)N1CCc1ccccn1 69654113 JQSPNIRIIBLPRH-FUHWJXTLSA-N 324.380 2.607 0 40 DFAB NC(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 19287133 LZMFICYFKNWHJA-UHFFFAOYSA-N 322.320 2.798 0 40 DFAB COC[C@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 71942801 SMGKOPXWKTVKAF-NSHDSACASA-N 320.368 2.785 0 40 DFAB Cn1cc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cn1 84318690 NLPCSVAHYKXNTH-UHFFFAOYSA-N 301.737 2.716 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)c1cn(C)c2ccccc12 97379430 BMHIISIWRORIKO-GOSISDBHSA-N 323.396 2.731 0 40 DFAB COCCN1CCC[C@H](N[C@@H](C)c2ccc(OC)c(F)c2)C1 95422068 MLFGBMHNCTZXJG-ZFWWWQNUSA-N 310.413 2.596 0 40 DFAB C[C@@H](CNC(=O)N[C@H]1CCc2ccccc21)CC1(C)OCCO1 95412354 RMFKBDOIAUZEBB-CJNGLKHVSA-N 318.417 2.762 0 40 DFAB O=C(Cn1ccccc1=O)N1CCC[C@@H]1c1cccc(Cl)c1 46800585 UAERCKRIEVOQPQ-OAHLLOKOSA-N 316.788 2.865 0 40 DFAB CC[C@H]1Oc2cc([C@H](C)NCc3cc(C)on3)ccc2NC1=O 95985477 VXJKAHRAAGMOLH-XHDPSFHLSA-N 315.373 2.943 0 40 DFAB Cc1c[nH]/c(=N/C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[nH]1 89506305 MRVBQGGZOJCXFY-UHFFFAOYSA-N 320.352 2.645 0 40 DFAB CC(C)CCO[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 75107274 AYHKFWXOMNCFBK-CYBMUJFWSA-N 305.374 2.693 0 40 DFAB C[C@H](CNC(=O)Nc1cnn(-c2ccccc2)c1)Cn1cccn1 75145669 JCAVDUKHYKJOHF-CQSZACIVSA-N 324.388 2.527 0 40 DFAB CC(C)(C)C[C@@H](CO)NC(=O)c1csc(-c2ccoc2)n1 89643004 AHILEYZMKXJZBR-NSHDSACASA-N 308.403 2.930 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCOC[C@@H]1CCCO1 89922426 HEAMLHVOGIYTND-UGUYLWEFSA-N 310.438 2.545 0 40 DFAB CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 23139780 CVUMYZFZPJUMAK-UHFFFAOYSA-N 310.423 2.726 0 40 DFAB Cc1ccc(CNC(=O)c2cn(C)c3ccccc3c2=O)cc1 22234108 ODCQJWDQDANQEY-UHFFFAOYSA-N 306.365 2.777 0 40 DFAB Cc1nc(C(=O)N2CCS/C2=C/c2c(C)nn(C)c2C)co1 225245439 DKQMENZFNQQKNY-VGOFMYFVSA-N 318.402 2.521 0 40 DFAB C[C@@H](C(=O)Nc1cnccn1)c1ccc(Br)cc1 127000052 GZXIZDBWLVRUFP-SECBINFHSA-N 306.163 2.981 0 40 DFAB O=CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 35315893 WUTLXYHSNNUFCF-UHFFFAOYSA-N 307.806 2.742 0 40 DFAB COCCC1(CN2CCO[C@@H]([C@@H]3CCCO3)C2)CCCCC1 187459531 LNORNDXWJQEAPR-DLBZAZTESA-N 311.466 2.853 0 40 DFAB COc1ccc(Cc2noc(C3(O)CCCCC3)n2)cc1OC 125517927 GZOUYHKABBDWRG-UHFFFAOYSA-N 318.373 2.829 0 40 DFAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1CCCO1 71886325 BMUXDZZLNMCCDV-DOMZBBRYSA-N 309.337 2.501 0 40 DFAB O=C1NCCCC[C@H]1SCc1noc(-c2ccsc2)n1 78555744 WGIDSVJZHXULCJ-SNVBAGLBSA-N 309.416 2.700 0 40 DFAB CC[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1c(C)nn(C)c1C 75196198 LNKIJEBTJPQYKB-CYBMUJFWSA-N 311.389 2.794 0 40 DFAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)c2cc(C)oc2C)C1 194928940 QOCXVWWSIZKHPS-KGYLQXTDSA-N 308.378 2.598 0 40 DFAB COc1ccc([C@@H](NCc2noc(C)n2)C2CCOCC2)cc1 225547960 XUBYHMXXJBNZLM-QGZVFWFLSA-N 317.389 2.644 0 40 DFAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C)cc1 192677122 AVQMFEFFEGXSRI-UHFFFAOYSA-N 314.360 2.951 0 40 DFAB Cc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1Cl 224074891 DDXJOAMBTNTAMI-UHFFFAOYSA-N 321.764 2.725 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N1CC[C@H](O)[C@H](C)C1 190531027 GBXADKMAFUKJQO-RISCZKNCSA-N 311.809 2.511 0 40 DFAB COc1ncc(C)cc1NC(=O)c1cnn(Cc2ccccc2)c1 96445025 CGZWFCGPLAZLMU-UHFFFAOYSA-N 322.368 2.896 0 40 DFAB CC(C)CN1Cc2cccc(NC(=O)c3csnn3)c2C1 92406381 GJFHAZBZVHCVMR-UHFFFAOYSA-N 302.403 2.762 0 40 DFAB CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(OC)cc1)C2 96060148 ZBOASAXTMISWQI-MRXNPFEDSA-N 315.417 2.657 0 40 DFAB Brc1ccccc1OCCN1CCc2[nH]ncc2C1 91079117 DNEMCPPBEQEPQK-UHFFFAOYSA-N 322.206 2.609 0 40 DFAB CN(C)c1nc(CNC(=O)N[C@H]2CCc3ccccc32)cs1 96446960 ZNXVITBWCNTCHP-AWEZNQCLSA-N 316.430 2.696 0 40 DFAB C[C@H](NC(=O)C[C@@H]1CCCO1)[C@@H](O)c1c(F)cccc1Cl 96449993 DQDUADYJHADUFP-AMJWSMQMSA-N 315.772 2.586 0 40 DFAB O=S(=O)(Cc1csc(N2CCCC2)n1)c1ccccc1 95398189 MPZHEJJQKSPUGZ-UHFFFAOYSA-N 308.428 2.717 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)COc2cccc(F)c2)n1 257282856 OVOXVPODSBEHGK-CQSZACIVSA-N 303.337 2.600 0 40 DFAB O=C(CCc1cccs1)N[C@@H]1CCCN(c2ccccn2)C1 257321637 WCMRPEMJNVEIJH-CQSZACIVSA-N 315.442 2.861 0 40 DFAB Cc1nnc(CN[C@H]2CCOc3c(Br)cccc32)o1 252508885 XWXFQCCXWWECHP-NSHDSACASA-N 324.178 2.754 0 40 DFAB C1=C(CN2CCO[C@@H](c3ccccn3)C2)COc2ccccc21 257333236 YATYFECZWPQWPK-LJQANCHMSA-N 308.381 2.931 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccncn1 257259154 KXCNCFZORUHZFP-KRWDZBQOSA-N 321.384 2.580 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2cnc(-c3ncc(C)[nH]3)cn2)ncn1 585178825 GHCMDHWUMPFGRS-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB C[C@@H](NCc1cccc2c1OCCCO2)[C@@H](C)n1cccn1 69372483 IABUGOASFPTSAO-ZIAGYGMSSA-N 301.390 2.784 0 40 DFAB Clc1ccccc1CNC1CCN(c2ncccn2)CC1 36932408 MRWWEJJJTLPMOD-UHFFFAOYSA-N 302.809 2.889 0 40 DFAB O=C(Oc1ccc2c(c1)CCC2)[C@H]1CCCN(c2ncccn2)C1 44577141 XUMXNUQJQCSGQI-INIZCTEOSA-N 323.396 2.787 0 40 DFAB O=C(C1CCOCC1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776008424 DTFZZWMDXIDEAP-KBPBESRZSA-N 323.824 2.658 0 40 DFAB Fc1ccc(-c2n[nH]cc2CNC2CCN(C3CC3)CC2)cc1 55043166 XSMIPJRFJILVHT-UHFFFAOYSA-N 314.408 2.932 0 40 DFAB C[C@H]1CN(Cn2ncnc2-c2ccccc2Cl)[C@H](C)CO1 54461377 JHIXPDFCSIBYHS-NEPJUHHUSA-N 306.797 2.665 0 40 DFAB CC1CCN(CCCNC(=O)Cc2noc3ccccc23)CC1 61553925 WQEUXBYERCUEAW-UHFFFAOYSA-N 315.417 2.609 0 40 DFAB CC(C)[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1ccncc1 95976567 QPZYIYADYQNDNK-HZPDHXFCSA-N 303.406 2.599 0 40 DFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1ccc[nH]1 5626640 JIEBJQBSDYNGKK-UHFFFAOYSA-N 313.140 2.943 0 40 DFAB COc1ccc([C@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2c2ccccc2)cc1 12017287 NGIVGQYVXNWQGB-JYJNAYRXSA-N 324.336 2.670 0 40 DFAB COc1cccc(-c2cc(CC(=O)Nc3nccs3)no2)c1 12865929 XFOJGDWUYXCGDD-UHFFFAOYSA-N 315.354 2.988 0 40 DFAB COc1cc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc(OC)c1OC 16030240 HAXNJCFMCFBBSO-QANKJYHBSA-N 321.417 2.668 0 40 DFAB biogenic CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1c(N)nnc1SC 19820863 OPLWWSJLAAPAIV-LBPRGKRZSA-N 319.434 2.789 0 40 DFAB COc1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)c1OC 3378837 DMBDHWQLWIGBLR-UHFFFAOYSA-N 323.389 2.506 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1=COCCO1 10291002 BSGOJENMQHTRQU-OAHLLOKOSA-N 319.357 2.981 0 40 DFAB CC1(C)C[C@H]1C(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888843072 AVFJNMAJFQMMRC-JSGCOSHPSA-N 315.417 2.627 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(CCCOc2ccccc2)C1 1889110018 ZBGRIRYPEVIGLN-HNNXBMFYSA-N 304.434 2.692 0 40 DFAB CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 5193141 SUCRWERHHPDMCB-AWEZNQCLSA-N 324.380 2.621 0 40 DFAB O=C(Cc1ccc(F)cc1)NCc1nccnc1-c1ccoc1 575620403 MZEOSGCRGVPUDF-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB CC(C)(C)c1ccc(C(=O)N2CC(Nc3cnccn3)C2)cc1 828153309 FYMNYHUOSGAHDC-UHFFFAOYSA-N 310.401 2.711 0 40 DFAB COc1cccc2cc(C(=O)NCC[C@H](O)c3ccco3)oc12 77111125 GLGWOVMLWOTHHX-LBPRGKRZSA-N 315.325 2.888 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CNc1ccccc1Cl 18143224 LDXQKIOXGBPLDQ-DHPDLVEQSA-N 302.761 2.517 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1Cl 39971449 AUXXUMZZKATRAS-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)C1=Cc2cc(Cl)ccc2OC1 40092375 CUQMGPXVJSYJBZ-NSHDSACASA-N 317.776 2.517 0 40 DFAB Cc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)cc1F 40134120 GMRAMKZVHXOHHM-UHFFFAOYSA-N 312.344 2.826 0 40 DFAB O=C1CSC2=NC3=C([C@@H](c4cccs4)N12)N1CCC3CC1 20218662 KYWLFLCVBOMFNZ-CYBMUJFWSA-N 317.439 2.671 0 40 DFAB O=C(Cc1n[nH]c2ccccc12)N1CCC(n2cccc2)CC1 50630075 HUWXCDHKQTUURY-UHFFFAOYSA-N 308.385 2.771 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCCc1ccc2c(c1)OCO2 40464690 QJYXDSXODRBEGK-UHFFFAOYSA-N 316.357 2.808 0 40 DFAB CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101706243 BYECFRMFHDSAGK-LLVKDONJSA-N 303.383 2.602 0 40 DFAB CCN(CC)C(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 350015 ZBRPYYPPIHYKQD-UHFFFAOYSA-N 317.414 2.880 0 40 DFAB COc1ccc(CN(C)C(=O)c2cccnc2OC)cc1F 32759684 ROPJIEJIMLUUHT-UHFFFAOYSA-N 304.321 2.510 0 40 DFAB Cc1nc2ccc(C(=O)Nn3cnc4ccccc43)cc2nc1C 32855783 NXBUDTHQBAAMGO-UHFFFAOYSA-N 317.352 2.980 0 40 DFAB CC[C@H]1CCCCN1C(=O)CCn1cnc2sccc2c1=O 21962396 CREKDIWUDSZJAO-LBPRGKRZSA-N 319.430 2.639 0 40 DFAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1cccnc1 130057 BQRRAEOFJQVQEO-INIZCTEOSA-N 302.399 2.998 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)/C=C/c2cccc(F)c2)o1 78964090 XHWKLQWCUJHGBR-LKUPDRCFSA-N 303.333 2.764 0 40 DFAB Cc1ccc(C)c(N(CC(=O)NC2CCOCC2)C(C)C)c1 79097316 PKSMUJMAUGXYJR-UHFFFAOYSA-N 304.434 2.813 0 40 DFAB CC(C)Cc1ccc([C@H](C)NC(=O)CCn2cncn2)cc1 54515720 XMGKZVJTDCXFMW-AWEZNQCLSA-N 300.406 2.744 0 40 DFAB O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccc[nH]2)c2ccccc21 83005094 JSNKMLLQTQLEOX-CQSZACIVSA-N 323.396 2.771 0 40 DFAB N=C(N)SCc1cccc(-c2nc3ccccc3c(=O)o2)c1 3954575 DIXZVGWTNOJYMX-UHFFFAOYSA-N 311.366 2.982 0 40 DFAB in-vitro COc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 24985213 BMDKJMWSNLVZNI-UHFFFAOYSA-N 321.402 2.521 0 40 DFAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H](C(F)(F)F)C1 26025368 ZAYXRDYQGICDBQ-LBPRGKRZSA-N 324.306 2.682 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCO[C@H]([C@H]2CCCO2)C1 107516410 NKYYBRBOYUEWIC-HZMVEIRTSA-N 322.449 2.545 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccccc2-n2cccn2)C[C@@H](C)O1 48152218 OPQVLSFGKFETPS-CHWSQXEVSA-N 300.362 2.513 0 40 DFAB CCO[C@H](CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 48274736 UUJTXMXHRRHBGL-CQSZACIVSA-N 306.406 2.969 0 40 DFAB O=C(NCCc1cccs1)NCc1ccc2c(c1)OCCO2 44892548 YWNYADFATNMFNR-UHFFFAOYSA-N 318.398 2.561 0 40 DFAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(O)nn1 27629089 MUTOVEOIEFTIMD-UHFFFAOYSA-N 301.390 2.519 0 40 DFAB O=C(CCN1CCC(c2cc[nH]n2)CC1)N1CCc2ccccc21 58224878 RUABXWPHCYQZQU-UHFFFAOYSA-N 324.428 2.569 0 40 DFAB CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCCCCC1 57710734 QTKSZRFHSFUIHK-OAHLLOKOSA-N 314.437 2.789 0 40 DFAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccs1 2253765 RPWMJPUATKTKHO-GZMMTYOYSA-N 322.411 2.570 0 40 DFAB COc1ccccc1CNc1nc(C)c(C(=O)N(C)C)s1 3328226 SOCCXSLLUMFFKP-UHFFFAOYSA-N 305.403 2.774 0 40 DFAB COc1ccccc1CCNC(=O)c1cc2ccccc2c(=O)[nH]1 29854451 KAYMYMIGQDZZFN-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB Cc1cc(OCC(=O)Nc2cccc(Br)c2)no1 12855220 ZIAWETHEMMWHRB-UHFFFAOYSA-N 311.135 2.763 0 40 DFAB COc1ccc(-c2nc(COC(=O)c3cc[nH]n3)cs2)cc1 46767345 DZIQBEAQFRBZQA-UHFFFAOYSA-N 315.354 2.899 0 40 DFAB CCOc1ccccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 2708353 LHGUVEMJTQDZFA-MRXNPFEDSA-N 311.337 2.806 0 40 DFAB Cc1ccsc1CNC(=O)N1CCN(Cc2ccco2)CC1 46987724 YRHHPRKWSPQULC-UHFFFAOYSA-N 319.430 2.677 0 40 DFAB COc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1 12321796 OSLAUUGEAJFDHJ-UHFFFAOYSA-N 303.321 2.946 0 40 DFAB Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2)c(=O)[nH]1 12923297 KIGSTIAWGQAQOU-UHFFFAOYSA-N 305.765 2.611 0 40 DFAB Cc1cc([C@H](C)NC(=O)NCCC2(C)OCCO2)cc(C)c1F 97115804 YFSQRBYVMNSXOZ-ZDUSSCGKSA-N 324.396 2.956 0 40 DFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 4472188 BWTRDCBONWWXNM-GJSJWPQCSA-N 319.382 2.983 0 40 DFAB CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC(C)CC2)c1 65553444 TWDQDZRWRJECBB-UHFFFAOYSA-N 309.797 2.963 0 40 DFAB COC(=O)c1cccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c1 14187100 FUFJCEDUEWOBMM-OKILXGFUSA-N 304.415 2.977 0 40 DFAB Cc1cccc(NC(=O)NCc2ccccc2-n2ccnc2)n1 97109200 HPKUWELDAASXHC-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB CCc1ccc(OC(=O)c2cccc(N3CCNC3=O)c2)cc1 66504992 IAKGVJRJFULTMD-UHFFFAOYSA-N 310.353 2.998 0 40 DFAB CCCn1nnnc1CN(C)[C@@H](c1ccccc1)c1ccccn1 66540935 BEPIPYRCUXOKJA-SFHVURJKSA-N 322.416 2.700 0 40 DFAB CCc1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 7057471 VGHWRYIXJYHKTJ-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB CN(CCNC(=O)N(Cc1cccnc1)C1CC1)c1ccccc1 71799618 HKRMJPMFGLLSFM-UHFFFAOYSA-N 324.428 2.892 0 40 DFAB Cc1cc(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)no1 96406127 HIJGLLDJYAQBNX-MRXNPFEDSA-N 311.385 2.537 0 40 DFAB Cc1cc(C)cc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1 26534353 OGLSYYAVDVCDOT-UHFFFAOYSA-N 311.341 2.704 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 91428812 SSGTZGKFLQHCPS-SNVBAGLBSA-N 311.311 2.613 0 40 DFAB C[C@@H]1CCCC[C@]12NC(=O)N(CCCOc1ccccc1)C2=O 8352293 NZIWMGFMAVDLJK-KDOFPFPSSA-N 316.401 2.956 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)NC[C@@H](O)c1cccc(F)c1 71904786 JUCONRRNQRAYPA-CVEARBPZSA-N 309.381 2.713 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cccs1 69902524 JBFJTLYHYOSMQZ-YGRLFVJLSA-N 320.370 2.527 0 40 DFAB O=C(C1=CCCC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 306135706 OYCNQFOBSPYKNC-OAHLLOKOSA-N 316.426 2.657 0 40 DFAB NC(=O)CCC1CCN(C(=O)Nc2ccccc2Cl)CC1 95453717 ZVEHHMVZDSXMIE-UHFFFAOYSA-N 309.797 2.849 0 40 DFAB Cc1nc2ccccc2nc1CN1CCC[C@H]1Cn1cccn1 72267534 WJUBZGTXRBHOOL-HNNXBMFYSA-N 307.401 2.799 0 40 DFAB Cn1ccnc1CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 95976213 FQDHDCRATLWAFE-CQSZACIVSA-N 323.343 2.595 0 40 DFAB CCc1nc2c(s1)[C@H](N(C)Cc1cc(=O)c(O)co1)CCC2 89295770 WNEHNQRUUBBWIA-GFCCVEGCSA-N 320.414 2.874 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)s1 89657279 NHFKMCQAVKNLGB-UHFFFAOYSA-N 305.384 2.801 0 40 DFAB c1cc(CNc2ccc(Cn3cncn3)cc2)c2[nH]ncc2c1 89808105 MHPMVIJTJFTEGL-UHFFFAOYSA-N 304.357 2.815 0 40 DFAB Cc1noc(C)c1C(=O)N[C@@H](CC(=O)O)c1ccccc1Cl 75568095 XYAIWLHQBZVPRV-LBPRGKRZSA-N 322.748 2.891 0 40 DFAB C[C@@H]1CN(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C 72203166 CEOVRKUFTYYUTQ-SNVBAGLBSA-N 312.801 2.576 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 123367369 JVEWXTLFKFWQPU-SVBZNOKQSA-N 306.446 2.930 0 40 DFAB CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@](C)(O)c1ccccc1 182564484 ZUBXBCDBOKBNRZ-MNEFBYGVSA-N 319.445 2.852 0 40 DFAB Cc1nc(C(=O)NCc2ccccc2)cc([C@H]2CCCN(C)C2)n1 72382870 VLUGILJOPQJAPK-INIZCTEOSA-N 324.428 2.524 0 40 DFAB Cc1nc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cs1 38518631 OYYNJKVMYRURIC-UHFFFAOYSA-N 318.402 2.732 0 40 DFAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c1 78403681 ALFHVRBEAWHNIW-UHFFFAOYSA-N 316.382 2.658 0 40 DFAB CC[C@H](CO)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 77287122 JZUOOKOWCATTNI-SSDOTTSWSA-N 321.156 2.658 0 40 DFAB in-vitro O=C(c1ccc(Cl)cn1)N1CCCCC[C@@H]1c1ncon1 189617023 MTMCQWYZVVMQOJ-GFCCVEGCSA-N 306.753 2.876 0 40 DFAB COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCC(C)C)cc1 49466754 ZQBPRWDCLKIWKB-HOCLYGCPSA-N 305.374 2.716 0 40 DFAB CC[C@@]1(C)CN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CCO1 190383960 GQNZZLIDTYEIQU-GUYCJALGSA-N 306.406 2.534 0 40 DFAB C[C@@H](C(=O)Nc1n[nH]c(CCC2CCCC2)n1)n1cccc1 575443511 MUPKKEJHFXPFKL-LBPRGKRZSA-N 301.394 2.929 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(F)c1F 88376343 YQVJSNAGQOPEMQ-NSHDSACASA-N 321.331 2.775 0 40 DFAB COC(=O)c1c(C=O)c2sc(Br)cc2n1C 225790543 BKYWEIVUFUDQPC-UHFFFAOYSA-N 302.149 2.601 0 40 DFAB CCCN1CCCN(C(=O)N[C@@H](CC)c2cccs2)CC1=O 190136664 NLIDBVPXUCJOLF-ZDUSSCGKSA-N 323.462 2.853 0 40 DFAB CO[C@@]1(C)C[C@@H](N(C)C(=O)NCCc2ccc(O)cc2)C1(C)C 331418497 LEFCHIBICWCACU-QAPCUYQASA-N 320.433 2.780 0 40 DFAB Cc1cnc(C)c(NCCC(=O)N2CCc3sccc3C2)n1 195563766 PBWJLXHGKUITQM-UHFFFAOYSA-N 316.430 2.542 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)ccn1 96494805 NNYRDLNBTYUWEE-SUMWQHHRSA-N 304.390 2.512 0 40 DFAB Cn1nnc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)n1 95479628 FLJUMAACFLZBQE-UHFFFAOYSA-N 318.340 2.611 0 40 DFAB COc1ccc(CC(=O)N2CCC3(CC2)CC(OC)C3)cc1 96063173 IUUBQQISMBUOSD-UHFFFAOYSA-N 303.402 2.655 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@]2(C[C@H](C(C)C)CO2)C1 96073366 FULVSQCDNOPWIN-YOEHRIQHSA-N 306.406 2.959 0 40 DFAB CCn1cc(N[C@@H](C)C(=O)Nc2cccc3ncccc23)cn1 97377393 CQPSOLJHSNJISN-LBPRGKRZSA-N 309.373 2.890 0 40 DFAB C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)c2ccccc2NC1=O 96418386 CIQQKUDRMDZDCD-OLZOCXBDSA-N 302.374 2.567 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2snnc2CC)C12CCCC2 96419201 WVNAIIRIKTUHLD-CHWSQXEVSA-N 323.462 2.910 0 40 DFAB CC(C)c1cnc(COc2ccc(O[C@H](C)C(N)=O)cc2)o1 96429007 PLKSTQRYYMYZKR-LLVKDONJSA-N 304.346 2.630 0 40 DFAB Cc1nc[nH]c1CN1CCNC[C@H]1c1ccc(OC(C)C)cc1 257308296 TWFLELMGZSBRTP-SFHVURJKSA-N 314.433 2.652 0 40 DFAB CNc1nccnc1C[C@H]1CCCN(Cc2ccc(C)nc2)C1 257329981 XMGJBVFAZNNDQK-OAHLLOKOSA-N 311.433 2.676 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1F 257239193 HOHVBNYIISGHJN-PBHICJAKSA-N 318.392 2.794 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 257222137 DSCGUCGZDGTOMT-HNNXBMFYSA-N 313.401 2.893 0 40 DFAB Cc1cn(C)c([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257260561 LDKAJZDUXFNJQF-KRWDZBQOSA-N 309.413 2.994 0 40 DFAB CNc1cncc([C@@H]2CCCN2C(=O)c2cc(C)cs2)n1 257219910 DIUNLIGSMGEVMV-LBPRGKRZSA-N 302.403 2.866 0 40 DFAB CC(=O)N1CCC[C@@H]1CCc1cncc(-c2c(C)noc2C)n1 257322936 WICFDYPATKZMQG-OAHLLOKOSA-N 314.389 2.692 0 40 DFAB COc1ncc(NC(=O)Nc2cccc(C)c2)c(N(C)C)n1 96121375 QXTIXNAMYNZMHL-UHFFFAOYSA-N 301.350 2.504 0 40 DFAB Cc1nn(C)c(C)c1C(=O)N1CCc2sc(Cl)cc2C1 564728743 DZSKCVWCKANHSS-UHFFFAOYSA-N 309.822 2.950 0 40 DFAB O=C(CCc1ccccc1F)N[C@@H]1CCN(c2ccccn2)C1 152656169 WVVBUBJRTAGMDQ-OAHLLOKOSA-N 313.376 2.548 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCOc3ccccc32)no1 76043368 XZJSQWJSOIWJCH-KGLIPLIRSA-N 313.357 2.608 0 40 DFAB COC(=O)[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 58368126 UDLQIWAQXPNBBL-MRXNPFEDSA-N 317.772 2.913 0 40 DFAB Cn1ccnc1SCC1CCN(C(=O)c2ccco2)CC1 90608187 CPFAIBRFCMYVGI-UHFFFAOYSA-N 305.403 2.658 0 40 DFAB O[C@H](COCc1ccco1)Cn1ccc(-c2ccc(F)cc2)n1 95438785 CCCHWWPGYFUNKN-HNNXBMFYSA-N 316.332 2.860 0 40 DFAB Cc1cnc(OC2CCN(CCOc3ccccc3)CC2)nc1 653803503 QMPWZMIRHJNAAX-UHFFFAOYSA-N 313.401 2.707 0 40 DFAB O=c1/c(=C/c2c[nH]c3ccccc23)sc2nc3ccccc3n12 83841 NBMUWXUNWZTERF-SXGWCWSVSA-N 317.373 2.938 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3)ccc12 12951107 YUSFHVMXKQHDSK-UHFFFAOYSA-N 310.309 2.514 0 40 DFAB biogenic CSCSC[C@H](CO)NC(=O)/C=C\c1ccc(C)cc1 17020788 KKGMNRPVIDSMDA-DANTVBBOSA-N 311.472 2.539 0 40 DFAB CCCn1c(C)cc2cc(NC(=O)Cn3cc(C)nn3)ccc21 19525987 IMUPAGXLRPBEMD-UHFFFAOYSA-N 311.389 2.898 0 40 DFAB Cc1c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnn1C 19553717 NFAGVUOJZLATLT-HNNXBMFYSA-N 309.417 2.984 0 40 DFAB COc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1OC 226324008 SAIRTMSGBUYHKR-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB CC(=O)NCCNC(=O)c1oc2c(ccc3ccccc32)c1C 6083245 MIKYEMCZHHEAOL-UHFFFAOYSA-N 310.353 2.760 0 40 DFAB CSc1nc(C)cc(N(C)Cc2ccc3c(c2)OCCO3)n1 1889128386 UUJCEJJVFIKLPT-UHFFFAOYSA-N 317.414 2.915 0 40 DFAB COC(=O)c1c(NC(=O)NCc2ccco2)sc2c1CCC2 6661821 IWOMKPLFZKRQGA-UHFFFAOYSA-N 320.370 2.938 0 40 DFAB Cc1ccc(-n2nnnc2CNC(=O)Nc2cccc(C)c2)cc1 17052234 VUILHVVECSESSA-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)[C@@H]1CCOC1 585147892 GJZMTBXFXQHXBK-GHMZBOCLSA-N 323.439 2.663 0 40 DFAB Cc1cc2nc3s/c(=C/c4cccc(O)c4)c(=O)n3c2cc1C 5362505 LWPSMAONULHDLO-CXUHLZMHSA-N 322.389 2.779 0 40 DFAB O=C(NCC1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 40074154 ACZCNNMCHJEOKC-OAHLLOKOSA-N 300.402 2.736 0 40 DFAB CCCCc1nc(CN(C)CC(=O)Nc2cc(C)on2)cs1 40105805 LAUVVYWLFGVVKV-UHFFFAOYSA-N 322.434 2.853 0 40 DFAB Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)c1 40162496 KAJZVTJHXWDEOY-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB Cc1ccc([C@](O)(CCNC(=O)c2ccoc2)C(F)(F)F)o1 40498041 OEHPXZSMPJNVFC-CYBMUJFWSA-N 317.263 2.751 0 40 DFAB C[C@H](C(=O)O)n1cnc2scc(-c3ccccc3)c2c1=O 144774 URTJVXCOJIPVAC-SECBINFHSA-N 300.339 2.771 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32843248 XEIXNGGKRGBQGD-OCCSQVGLSA-N 306.381 2.593 0 40 DFAB O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)c1cccnc1 32818326 QJJKTQTVZLYRKU-NEPJUHHUSA-N 302.296 2.702 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCSc2ccccc21 33157942 PYSHWAOLVQJPOU-STQMWFEESA-N 318.442 2.678 0 40 DFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O 21962634 KYWWVRXVSFQTNY-UHFFFAOYSA-N 307.353 2.850 0 40 DFAB CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)o1 415825 QHRITAQJJRXXTM-UHFFFAOYSA-N 309.366 2.883 0 40 DFAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccnc1 532091 PNFLWGAXXCWZFM-UHFFFAOYSA-N 312.354 2.862 0 40 DFAB CC(C)(C)OC(=O)N1CCN(Cn2cnc3ccccc32)CC1 24529077 LRZLNBSATNYZHQ-UHFFFAOYSA-N 316.405 2.547 0 40 DFAB CCN(CC)C[C@@H](O)c1ccc(I)cc1 6382480 MRQJODUFTIDTGB-GFCCVEGCSA-N 319.186 2.666 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1C 7230452 HJVHQGAKPVHMMB-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB CONC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 24832192 CAWIEPWXXGHRFJ-UHFFFAOYSA-N 313.382 2.918 0 40 DFAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnccn1 55741856 QOVJRLMKWSOWFC-UHFFFAOYSA-N 324.384 2.745 0 40 DFAB CS[C@@H]1CC[C@H](NC(=O)NC[C@@H]2COc3ccccc3C2)C1 107063267 OKFWQZJMWHDHGF-VHDGCEQUSA-N 320.458 2.821 0 40 DFAB CCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 8662085 CVOJUONXEWWGOV-UHFFFAOYSA-N 301.390 2.961 0 40 DFAB CC[C@]1(C)C[C@](O)(CCNCc2ccc(OC)cc2)CCO1 1831743 XIYRZHDDGQJIMA-MSOLQXFVSA-N 307.434 2.885 0 40 DFAB biogenic Cc1csc(CCNc2cc(C(N)=O)c3ccccc3n2)n1 48252648 DOPNWFXTUWMXDZ-UHFFFAOYSA-N 312.398 2.753 0 40 DFAB Cn1c(CNC(=O)Cc2c[nH]c3ccccc23)nc2ccccc21 9752679 ZLOZWJHFTQPHHG-UHFFFAOYSA-N 318.380 2.914 0 40 DFAB c1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 107751996 OUSDVTDCLSEYJO-OALUTQOASA-N 316.445 2.879 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2ccc(C)cc2O)CC1 44867184 UNLITXKYPJFFEY-UHFFFAOYSA-N 306.362 2.508 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cn1 58305018 JWMMNNRCABTMPZ-UHFFFAOYSA-N 324.789 2.781 0 40 DFAB CCCCOc1ncccc1CNC(=O)NCc1ccco1 58356138 LUQWDTQFFVEJSH-UHFFFAOYSA-N 303.362 2.853 0 40 DFAB CN(CCNC(=O)COc1ccccc1-c1ccccc1)C1CC1 48354054 DWLNCXPDTPGVNG-UHFFFAOYSA-N 324.424 2.943 0 40 DFAB O=C(CN1CCC(O)CC1)N(Cc1ccccc1)c1ccccc1 28968083 YQZKRJMIWIEGDU-UHFFFAOYSA-N 324.424 2.677 0 40 DFAB Cc1cc(NC(=O)CNc2ccc(C(=O)OC(C)C)cc2)no1 11725604 WKASVEBOCDYGJD-UHFFFAOYSA-N 317.345 2.599 0 40 DFAB CC(=O)c1cc(C(=O)N(Cc2ccc(C)o2)C2CC2)n(C)c1 46284388 HWUTVYWMVPTAHP-UHFFFAOYSA-N 300.358 2.934 0 40 DFAB CC(C)CC(=O)Nc1ccc(NC(=O)CCn2cccn2)cc1 29789808 IHDBKEUBNLDQQG-UHFFFAOYSA-N 314.389 2.897 0 40 DFAB COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(F)c1 3405209 CHXSRJSQQCCWBV-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 60245208 LINVZQWSYNDLAZ-QGZVFWFLSA-N 309.365 2.819 0 40 DFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCC1 2640180 LTNVXUYYGDVUDM-UHFFFAOYSA-N 307.346 2.619 0 40 DFAB COc1ccccc1S(=O)(=O)N(C)Cc1sccc1C 48439719 PPBXUABDNYGEIA-UHFFFAOYSA-N 311.428 2.886 0 40 DFAB CN1CC[C@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1=O 46800170 AWVMXTWUMCMSRH-DZGCQCFKSA-N 320.820 2.872 0 40 DFAB C[C@@]1(C(=O)O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 62913280 YEYYQMAQYDPVMK-OAHLLOKOSA-N 307.777 2.695 0 40 DFAB COc1ccc(Cl)cc1NCC(=O)NCCc1ccccn1 63854087 BCLCFNMAPUMZNF-UHFFFAOYSA-N 319.792 2.514 0 40 DFAB CC1(C)C[C@H](NCc2ccc(Cn3cncn3)cc2)C(C)(C)O1 95419771 IXHKWFNOCVCBTA-INIZCTEOSA-N 314.433 2.762 0 40 DFAB Cc1nc(-c2ccccc2)sc1NC(=O)CCn1cncn1 96010754 VEEKPIVZKVEIIW-UHFFFAOYSA-N 313.386 2.739 0 40 DFAB O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccnn12 13645405 IWNSTQNPADJCPL-UHFFFAOYSA-N 305.240 2.696 0 40 DFAB C[C@H]1Cc2ccccc2CN1C(=O)c1cccc2c1oc(=O)n2C 95441759 PSUNSEDGFASKBC-LBPRGKRZSA-N 322.364 2.719 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)Oc2ccccc2)C1 6168125 NKUKAAGSKZZRLP-ZBFHGGJFSA-N 319.401 2.646 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccn3)C2)n1 65477724 RZZBRZHAHYOXNH-HNNXBMFYSA-N 310.401 2.636 0 40 DFAB CC(C)Nc1nnc(S[C@@H](C)C(=O)NC2CCCC2)s1 9313564 NZRHKOBSVXEMFC-VIFPVBQESA-N 314.480 2.898 0 40 DFAB COc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 6590030 PVBSRFHIYLOREO-INIZCTEOSA-N 317.772 2.969 0 40 DFAB Cc1noc(-c2ccc(N3CCN(c4ccccc4)CC3)nc2)n1 71794497 LLQNVVQTNRXVFA-UHFFFAOYSA-N 321.384 2.767 0 40 DFAB CCN(CC)C(=O)c1ccc(OC(=O)c2ccc(F)nc2)cc1 96423061 XIYOCXJHQHGUHT-UHFFFAOYSA-N 316.332 2.922 0 40 DFAB Cn1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cn1 15604309 SLWXNLOWUOMCTP-UHFFFAOYSA-N 321.336 2.892 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 80471762 USVSUEOJGWGVLV-CHWSQXEVSA-N 323.412 2.631 0 40 DFAB O=C(CCCc1cccs1)N1CCC[C@H]1Cn1cccn1 71866203 ZJFIOHFGMADZDR-AWEZNQCLSA-N 303.431 2.959 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H]1CCOC1=O 7618781 WQXFCWBUIKDYNP-LLVKDONJSA-N 303.339 2.591 0 40 DFAB CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc(F)c1 7791694 WLQDRBJVZMUOEZ-UHFFFAOYSA-N 316.332 2.625 0 40 DFAB COc1ccc(COC(=O)c2nc(C3CC3)n3ccccc23)cn1 91096612 LZSFPGGQZOYCGL-UHFFFAOYSA-N 323.352 2.972 0 40 DFAB CCc1nn(C)c(OC)c1CNC(=O)N1CCCC(C)(C)CC1 91169250 ITJCYVPZBLLOEP-UHFFFAOYSA-N 322.453 2.713 0 40 DFAB Cc1cccc(C(=O)N2CCSCC2)c1NC(=O)[C@H]1C[C@@H]1C 69489963 DAJYDCZNUPTALZ-JSGCOSHPSA-N 318.442 2.779 0 40 DFAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)CSc1ncn[nH]1 69454789 DRFHUEFNCCFGNK-UHFFFAOYSA-N 316.430 2.784 0 40 DFAB O=C(NCC1CC1)c1cc(F)ccc1I 69416954 WCQYNCYHBAGXOE-UHFFFAOYSA-N 319.117 2.570 0 40 DFAB O[C@@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccc(F)c(F)c1 69659343 PEZOCEZKWUCQFR-PBHICJAKSA-N 321.371 2.749 0 40 DFAB CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2noc(C)n2)c1 97080857 RUSJKXNBIPRUTP-JTQLQIEISA-N 304.350 2.749 0 40 DFAB Cc1cc(CNC(=O)NC[C@H]2CCC[C@H](O)C2)ccc1Cl 95939519 YPSBOGKSJCYXJN-JSGCOSHPSA-N 310.825 2.999 0 40 DFAB CC(C)(C)S(=O)(=O)c1ccc(NC(=O)NCCCF)cc1 97104708 APPDTJVMPWSHHU-UHFFFAOYSA-N 316.398 2.740 0 40 DFAB COCCn1nc(C)c(CNc2ncnc3ccccc23)c1C 97160089 FBXVCIWGPCILOH-UHFFFAOYSA-N 311.389 2.702 0 40 DFAB Cc1cc(OCCN(C)C)ccc1NC(=O)c1cccc(O)c1 97236645 SWAZAHSYKDTICS-UHFFFAOYSA-N 314.385 2.893 0 40 DFAB COCCN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 97495048 DCSWSUAFVDAYHX-QGZVFWFLSA-N 314.385 2.611 0 40 DFAB CN(C)Cc1cccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c1 89319423 XGPYIWHTJQKPJF-UHFFFAOYSA-N 321.384 2.786 0 40 DFAB N[C@@H]1CC12CCC(NC(=O)N1CC=C(c3ccccc3)C1)CC2 1551553576 YQCASXGDGGGCEA-TVRKMHQQSA-N 311.429 2.755 0 40 DFAB CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCOc3ccccc32)CCN1C 521396385 SUEPTKOBVXWPSJ-HRCADAONSA-N 302.418 2.747 0 40 DFAB O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1Sc1nc(O)cc(C2CC2)n1 522117921 VQNOXMNWIVPBPS-NQBHXWOUSA-N 319.430 2.599 0 40 DFAB CCc1cc(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)[nH]n1 76939749 GACSKWOFAHSRGS-SECBINFHSA-N 308.332 2.811 0 40 DFAB O=C(c1ccc2ncccc2c1)N1CCN(c2ccccn2)CC1 71120194 XVZDHZSSSVMFCT-UHFFFAOYSA-N 318.380 2.592 0 40 DFAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCC2CCCCC2)C1 76384236 PHURIVONEJSWNZ-CABCVRRESA-N 315.479 2.819 0 40 DFAB C[C@@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1cccs1 77633884 LCXIJRBXAXAORC-SKDRFNHKSA-N 311.353 2.980 0 40 DFAB Brc1cccc(-c2noc([C@H]3COCCO3)n2)c1 78773639 HPBZKVMVKFKYNE-SNVBAGLBSA-N 311.135 2.587 0 40 DFAB COc1ccccc1CN1CCC(c2n[nH]c3nccnc23)CC1 72393756 HGEHVQOGSMMKJY-UHFFFAOYSA-N 323.400 2.741 0 40 DFAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C)c1 42646216 ASKSCTROPVZADG-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB CC(C)(C)OC(=O)N1CC(Nc2ncnc3ccccc23)C1 83351165 MFLXQSZOODGTOO-UHFFFAOYSA-N 300.362 2.661 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccco3)n2)CN1c1cccc(F)c1 44213932 YRVXSABPNPEAOJ-SNVBAGLBSA-N 313.288 2.989 0 40 DFAB CS[C@@H]1CC[C@H](N[C@@H](C)Cn2cc(Br)cn2)C1 195541108 IXENSIIMONDZFF-ZMLRMANQSA-N 318.284 2.908 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(C)c2ncccc12 193129022 QCJQKTVKUSIVJK-UHFFFAOYSA-N 317.370 2.949 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1cccc(F)c1 96518644 PNQBDUOQPCVRGA-NSHDSACASA-N 323.183 2.554 0 40 DFAB C[C@H]1SCCN(C(=O)CCOCC(F)(F)C(F)F)[C@@H]1C 191910684 BBHDDXFZXHZTIN-RKDXNWHRSA-N 317.348 2.646 0 40 DFAB O=C(CSc1nncs1)NCCC1Cc2ccccc2C1 96484954 XGEAPCCWHQJFCF-UHFFFAOYSA-N 319.455 2.552 0 40 DFAB COc1ccc([C@@H](C)CCNC(=O)[C@H](C)n2cccn2)cc1 96423367 PMLYWYZEFZUDNN-KBPBESRZSA-N 301.390 2.763 0 40 DFAB C[C@H](CNC(=O)CCn1ccccc1=O)Sc1ccccc1 96431708 OCRXXRUOQCYYFR-CQSZACIVSA-N 316.426 2.535 0 40 DFAB O=C(c1ccc2nccn2c1)N1CCC[C@@H](c2ccncc2)C1 580569635 YNKCDIMHBPMICY-OAHLLOKOSA-N 306.369 2.749 0 40 DFAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccncc1 96221979 UIUUODXHSDOVQE-ZDUSSCGKSA-N 307.305 2.937 0 40 DFAB biogenic Cc1cn(C)nc1C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 334134047 WXCBSVVXRAAYSH-GFCCVEGCSA-N 317.414 2.668 0 40 DFAB COc1cccc(NCc2nc([C@@H](N)Cc3ccccc3)n[nH]2)c1 95534869 RGUJNCPJRGRMAA-INIZCTEOSA-N 323.400 2.668 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)/C=C/c1cscn1 96431672 SIIYTOFXCLMOHM-ABZNLYFFSA-N 318.398 2.749 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@H]1CCOC1 96418904 VVOULMKRVKNJCF-JTQLQIEISA-N 310.191 2.591 0 40 DFAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(F)c(C)c2)cc1 26054570 CCQCIJAFJTZRBZ-UHFFFAOYSA-N 314.360 2.951 0 40 DFAB Cc1nn(C)c2nc([C@]3(C)CCCN(c4ncccn4)C3)ccc12 257310803 UGQLZYCQFFFYJV-GOSISDBHSA-N 322.416 2.625 0 40 DFAB CCCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 575404405 MAPSCJHIBVRKFT-KRWDZBQOSA-N 313.401 2.611 0 40 DFAB O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[C@@]2(CCCO2)C(=O)C1 585290005 YXUVPYSNSIEWKK-IBGZPJMESA-N 324.380 2.646 0 40 DFAB Cc1cc([C@H](C)NC(=O)Cn2c(C)csc2=O)c(C)s1 31951386 CCASWCCWEFIGEN-JTQLQIEISA-N 310.444 2.774 0 40 DFAB O=C(CN1CCC[C@H]1c1cccc(Cl)c1)Nc1nncs1 53158156 CTQCCGWZDCPQME-LBPRGKRZSA-N 322.821 2.967 0 40 DFAB O=C([C@@H]1CCCS1)N1C[C@@H](n2cccn2)Cc2ccccc21 75214698 AIXWEIOXSVITDQ-HOCLYGCPSA-N 313.426 2.909 0 40 DFAB CCn1cc(C(=O)NCc2ccc(C)nc2OC)c(C(C)C)n1 76987759 RRVZSZGXNPSVJV-UHFFFAOYSA-N 316.405 2.668 0 40 DFAB CC[C@@H]1CN(C(=O)N[C@@H](C)c2c(C)nn(C)c2C)CCS1 78940672 KSOICRQWPIHJMZ-GXFFZTMASA-N 310.467 2.635 0 40 DFAB Cn1nccc1C(=O)N[C@H](Cc1ccsc1)c1nccs1 12226680 HHUUGEHALKNKOT-LLVKDONJSA-N 318.427 2.652 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 13964264 PZPVQBHYPFQLAR-CQSZACIVSA-N 305.422 2.937 0 40 DFAB Cc1nc(O)c2nnn(Cc3c(Cl)cccc3Cl)c2n1 18059641 QHNGQOPFBYCZNF-UHFFFAOYSA-N 310.144 2.590 0 40 DFAB O=C(CCc1cccnc1)NCc1cccc(NC(=O)C2CC2)c1 10769351 FJBYSRYPTADMCD-UHFFFAOYSA-N 323.396 2.679 0 40 DFAB c1cnc(OCC2CCN(c3nc(C4CC4)ns3)CC2)cn1 1889093049 PQSQYGGGZCWYCZ-UHFFFAOYSA-N 317.418 2.501 0 40 DFAB Clc1ccc2sc(Sc3ccc4nnnn4n3)nc2c1 9113970 SEDPAPGXAQOKGA-UHFFFAOYSA-N 320.790 2.934 0 40 DFAB CCOC[C@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1 2055713204 FLJYXDHYQSIACE-INIZCTEOSA-N 315.417 2.560 0 40 DFAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N1CCCC1 38488244 XGJSCXPEEDELKP-UHFFFAOYSA-N 306.369 2.721 0 40 DFAB CCN(CC)[C@H](CNC(=O)c1cccnc1)c1ccsc1 31987850 GJJMYYRUYHPMDG-OAHLLOKOSA-N 303.431 2.956 0 40 DFAB CCN(CC)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103159245 DAMVDDKJIRWYTN-WRFANHODSA-N 310.397 2.844 0 40 DFAB O=C(Nc1cccc2c1OCCO2)C1=NO[C@H](c2ccccc2)C1 53136733 MHSIJHDNMQHNMX-INIZCTEOSA-N 324.336 2.914 0 40 DFAB CCCN1CC[C@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 53409090 FFLCMZMLEYMMDG-MRXNPFEDSA-N 300.446 2.875 0 40 DFAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 116350 ZITBTMCHRDCUEX-UHFFFAOYSA-N 312.369 2.926 0 40 DFAB Cc1ccc(C[C@@H](CNC(=O)c2ccsc2)C(=O)O)cc1 97018851 FOQRCUZNYFHEDQ-AWEZNQCLSA-N 303.383 2.730 0 40 DFAB Cc1ccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 539523 DPGMZHWUADRMBA-UHFFFAOYSA-N 321.380 2.794 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc(COC)cc2)[C@H](C)C1 78897621 INXCKHKPGDADER-RHSMWYFYSA-N 304.434 2.570 0 40 DFAB CN(CCOc1ccccc1F)S(=O)(=O)c1cccs1 79445855 ZHYQUPMLBYWNFT-UHFFFAOYSA-N 315.391 2.587 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCc1cnn(C)c1 79585840 WPKVCDYUAMFFGD-KZULUSFZSA-N 315.392 2.932 0 40 DFAB C[C@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccn1 48084408 KUSREBRKWMPHLM-ZDUSSCGKSA-N 311.389 2.960 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H]3CCC[C@@H]3N1CC2 4759861 GFMRLSXLFYOCEG-AEGPPILISA-N 301.386 2.745 0 40 DFAB Cc1ccc(CSc2nc3nc(O)[nH]c(=O)c3s2)cc1 4987569 KIGWJQNOLALTDN-UHFFFAOYSA-N 305.384 2.686 0 40 DFAB CC[C@@]12C[C@]1(C(=O)OC)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]12 6224498 MUSGCDBEXYWBFP-AYOQOUSVSA-N 324.380 2.567 0 40 DFAB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Cl)cc1F 24891864 QWKLPENGUJNFSS-UHFFFAOYSA-N 317.711 2.707 0 40 DFAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccc[nH]c3=O)c2C)cc1 24833350 NCSGHTHOZFOBSY-UHFFFAOYSA-N 322.368 2.738 0 40 DFAB Cc1nc2c(N(C)Cc3c(C)nn(C(C)C)c3C)ncnc2o1 55308617 DSZIRUPQUYZPJU-UHFFFAOYSA-N 314.393 2.957 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 7066327 AJSSNSYUOUZLBB-CHWSQXEVSA-N 304.390 2.719 0 40 DFAB FC(F)Sc1ccc(NC(=S)NN2CCOCC2)cc1 3255453 DIIFMFUCEXCCLR-UHFFFAOYSA-N 319.402 2.535 0 40 DFAB C[C@@H]1C[C@H](OC(=O)c2ccc(-c3ccc(F)cc3)o2)C(=O)O1 8393335 QOKXXKWXRXLCBN-OTYXRUKQSA-N 304.273 2.947 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[nH]2)cc1 25379616 HIZSEHDEXQZQEU-UHFFFAOYSA-N 317.711 2.912 0 40 DFAB CO[C@@H]1CCC[C@H](OC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 107047802 PNWNRODDXOGSHJ-IMJJTQAJSA-N 319.401 2.696 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1cccc(F)c1 3244550 LZJUUWXUQMVFGD-CHWSQXEVSA-N 323.364 2.537 0 40 DFAB CCCNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 56545650 HUFJDIKJDRMQAH-UHFFFAOYSA-N 303.406 2.773 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccs1 3252890 HFOMKFVYHGLDEZ-FEAKQIBJSA-N 315.394 2.662 0 40 DFAB Cc1noc(CCCC(=O)N2CCCC[C@H]2c2nccs2)n1 72272068 OCPANPLPUHNZFF-LBPRGKRZSA-N 320.418 2.911 0 40 DFAB Cc1ccc(OC2CCN(C(=O)c3cnns3)CC2)cc1C 56907320 WKAVUFLZFURONA-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[C@@]2(CCOC2)C1 95427122 DLLCVBRNVJHGGC-NVXWUHKLSA-N 322.449 2.690 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C(N)=O)c2ccccc2)C1 108357192 GHVHSASVRDVIQM-ATZDWAIDSA-N 323.440 2.638 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)Cc1csc(-c2ccco2)n1 48265505 YGCGPVGXZAEPHO-GFCCVEGCSA-N 320.414 2.831 0 40 DFAB O=C(NC[C@H](O)c1ccccc1)Nc1ccn(-c2ccccc2)n1 48248486 OCURCCYTZOBJKW-INIZCTEOSA-N 322.368 2.727 0 40 DFAB CC(C)C[C@H](NC(=O)CN(C)c1cnccn1)c1cccs1 58304632 IUYDXQHBYIHGMB-ZDUSSCGKSA-N 318.446 2.878 0 40 DFAB CC(C)N1CC[C@H](CNC(=O)CCOc2cccc(Cl)c2)C1 58431334 FUBUDBJCIBAYSA-CQSZACIVSA-N 324.852 2.955 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1(C)C 73271448 LDULKBIATJEQNU-RHSMWYFYSA-N 322.380 2.718 0 40 DFAB O=C(Nc1nc(Cc2ccccc2)cs1)N1CCC[C@H](O)C1 97107741 AKVKCYXOVJLCLL-AWEZNQCLSA-N 317.414 2.723 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)c[nH]1 48355799 MIXMFDMFMBUBMP-NSHDSACASA-N 306.749 2.580 0 40 DFAB Cc1ccc(Cn2nc(C)c(NC(=O)[C@H]3CCCO3)c2C)cc1 27922224 RUGVKCXXVPGGRG-MRXNPFEDSA-N 313.401 2.974 0 40 DFAB COc1cccc(Cn2nc(C)c(/C=C/C(=O)O)c2Cl)c1 2650121 GUUOOYJFTSAYCU-VOTSOKGWSA-N 306.749 3.000 0 40 DFAB CCc1sc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C 12048194 FAIPRLZCOKMNNL-CQSZACIVSA-N 302.399 2.575 0 40 DFAB CCOC(=O)N1CCC(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 58493649 UBBDROKFDQQUNC-CABCVRRESA-N 322.449 2.962 0 40 DFAB O=C(COc1nncc2ccccc12)N1CCc2ccccc21 3452843 WIPSSUDWXAUTAI-UHFFFAOYSA-N 305.337 2.598 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1n[nH]c2ccccc12 47006614 YPTAPNOKVCNKNO-IUODEOHRSA-N 301.390 2.888 0 40 DFAB O=C(O)[C@@H]1CCCCN1Cc1ccc(Br)s1 3755733 JMRCECGVTOYJRF-VIFPVBQESA-N 304.209 2.950 0 40 DFAB O=C(c1ccccc1)c1cccc(NC(=O)N2CC[C@H](O)C2)c1 96009306 QXOWMTFYCLYDGH-INIZCTEOSA-N 310.353 2.516 0 40 DFAB CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)O 13411458 DEDAATGKXDGQDO-UHFFFAOYSA-N 317.316 2.561 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccccc32)c1C 9368268 LRMRNLRVYYQTBD-UHFFFAOYSA-N 311.341 2.651 0 40 DFAB CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 49993295 JFIJHOZLWRLRFP-JKSUJKDBSA-N 306.837 2.996 0 40 DFAB CCCCCNC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 9342001 DAFDWHANCZOISC-AWEZNQCLSA-N 318.417 2.663 0 40 DFAB CCN1CCc2c(c(Nc3ccccc3)nc3[nH]nc(N)c23)C1 5204218 IUXJRJDOGPMEEG-UHFFFAOYSA-N 308.389 2.662 0 40 DFAB C[C@@H]1c2ccsc2CCN1c1ncnc2c1CN(C)CC2 65487663 LSNVJLLKEIIVMP-LLVKDONJSA-N 300.431 2.650 0 40 DFAB COc1cccc(C(=O)Nc2ccccc2SCC(N)=O)c1 5406914 MLJADBGGYAOZRC-UHFFFAOYSA-N 316.382 2.525 0 40 DFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc[nH]1 6559400 CIBDWKGZTJMBGP-UHFFFAOYSA-N 312.398 2.709 0 40 DFAB Cc1ccc(-c2nnc(SCCN3CCOC3=O)o2)c(C)c1 66260514 USOJSVVZVODQNH-UHFFFAOYSA-N 319.386 2.898 0 40 DFAB Cc1ccc(S(=O)(=O)c2nnn(-c3ccccc3)c2C)cc1 6817020 KRQJXPWHIATBPU-UHFFFAOYSA-N 313.382 2.717 0 40 DFAB O=C(c1ccc[nH]1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 84369325 WGWNOBQTZFABRS-MRXNPFEDSA-N 310.353 2.984 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](O)c3ccc(O)cc3O2)C1 96345712 VYKHGBVZZFBACX-DYVFJYSZSA-N 321.373 2.588 0 40 DFAB CCOc1ccc(NC(=O)c2noc3c2CCCC3)cc1CO 95447801 HXOHNBAKWGOWKZ-UHFFFAOYSA-N 316.357 2.697 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1C 7053070 OJZCUZIUTZMKTQ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB Cc1cc(N)nc(S[C@@H](C)C(=O)NCC2CCCCC2)n1 7048846 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KWFBUWDESLAMET-UHFFFAOYSA-N 301.264 2.642 0 40 DFAB Cc1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4O)o1 19331130 YJZOYJHVJUVWPY-UHFFFAOYSA-N 318.461 2.877 0 40 DFAB NC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 95949432 YLJPPFHEUHXKCX-UHFFFAOYSA-N 322.474 2.846 0 40 DFAB CC(C)[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1ccncc1 95976566 QPZYIYADYQNDNK-CVEARBPZSA-N 303.406 2.599 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1cccnc1 95959287 RRVUEHDIEBZDBX-CQSZACIVSA-N 320.389 2.914 0 40 DFAB Cn1ccc(C(=O)Nc2ccc(F)c(-n3cccc3)c2)cc1=O 75606950 VPDDEZDMCVCCGK-UHFFFAOYSA-N 311.316 2.567 0 40 DFAB O=C(NCc1nc2c(s1)COCC2)N[C@H]1CC12CCCCC2 1548451630 HVBJBEPOCQXZFB-ZDUSSCGKSA-N 321.446 2.738 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccc(O)cc2oc1=O 408815965 RYZPKCMZAWHMMN-QMTHXVAHSA-N 301.342 2.807 0 40 DFAB O=C(Nc1cccc(O)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 32104787 JUHJPPKFGFHMTG-LLVKDONJSA-N 314.316 2.523 0 40 DFAB O=C(NCCc1ncc2ccccn12)c1ccc(F)c(F)c1F 31773142 FPSDYEFDYNFLGD-UHFFFAOYSA-N 319.286 2.724 0 40 DFAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)[C@@H]1CCCO1 32647588 YPTRUULVYUQGCO-AWEZNQCLSA-N 323.755 2.841 0 40 DFAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccnc1 216452294 UCYLWUGDBMWZGU-HNNXBMFYSA-N 321.808 2.900 0 40 DFAB CC[C@@H](OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1)c1ccccc1 34930248 KRRYYKWWKBFUNM-CYGHRXIMSA-N 307.434 2.624 0 40 DFAB CCN1CCN[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72352877 AAHAZLVSWZWCBY-OAHLLOKOSA-N 300.427 2.778 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)Nc1n[nH]c(C(F)(F)F)n1 36714156 UXVUINBCJFMNOF-UHFFFAOYSA-N 323.278 2.876 0 40 DFAB COc1cccc(C2(CN[C@@H]3C[C@@H](C)OC3=O)CCCC2)c1 79030797 QDGDMIXRMLOLDS-CZUORRHYSA-N 303.402 2.801 0 40 DFAB Cc1cccc(Nc2cc(N3CCC[C@@H](C(=O)O)C3)ncn2)c1 217363220 DJRZHMRIDMTXMR-CYBMUJFWSA-N 312.373 2.830 0 40 DFAB CC(=O)Nc1cccc2cc(I)cnc12 76818209 GHGQOWJMGOYLPH-UHFFFAOYSA-N 312.110 2.798 0 40 DFAB O=C(Cc1ccccc1F)N1CCCC[C@@H]1C1CCNCC1 72343450 BRUPQZFSBBKPDM-QGZVFWFLSA-N 304.409 2.749 0 40 DFAB Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 42646061 ZTUQTHATGWJLDE-LBPRGKRZSA-N 300.333 2.950 0 40 DFAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl 86280263 YDPNALILVKEPGO-ONGXEEELSA-N 314.744 2.942 0 40 DFAB CCOC[C@H]1CN(C(=O)Nc2ccc(CC)c(OC)c2)CCO1 529113761 FIJWARXLVWNOMV-OAHLLOKOSA-N 322.405 2.527 0 40 DFAB COc1cccc(OC)c1C(=O)c1cccc(OC(C)=O)c1 43209894 URTSFHCTDKBGFC-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CC(C)c1ccc(NC(=O)N(C[C@@H](C)O)[C@H](C)CO)cc1F 190285230 VSPKDWSSBZQXKQ-VXGBXAGGSA-N 312.385 2.545 0 40 DFAB CCOC(=O)CN(CC(=O)Nc1cccc(SC)c1)C(C)C 49980790 DGHCWRJWHMPACY-UHFFFAOYSA-N 324.446 2.621 0 40 DFAB O=S(=O)(NC1CCCC1)c1ccccc1OC(F)(F)F 48363312 BOZBAYYCSVBKCI-UHFFFAOYSA-N 309.309 2.806 0 40 DFAB O=C(NCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 573778301 UKMHSYZWQMEKMU-KRWDZBQOSA-N 312.413 2.657 0 40 DFAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccncc1 225590548 IISWQPBUFLTYRW-UHFFFAOYSA-N 304.353 2.511 0 40 DFAB Cc1nccc(CCC(=O)N2CCn3c(cc4ccccc43)C2)n1 578340285 OBECZMIFYQYJSN-UHFFFAOYSA-N 320.396 2.715 0 40 DFAB CS[C@H]1CCC[C@H]1NC(=O)NCCCc1c(C)nn(C)c1C 96490501 SYBBVOWFFPDBIV-CABCVRRESA-N 324.494 2.553 0 40 DFAB CCOc1cc(CO)cc(Cl)c1OCC(=O)NC(C)(C)C 95095027 LOYNCVUUGQCQQQ-UHFFFAOYSA-N 315.797 2.525 0 40 DFAB O=C(c1ccsc1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96073528 GPBQRWPCXMHUJX-RDJZCZTQSA-N 321.442 2.938 0 40 DFAB CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(N)=O 96404743 AIIIQGBOJLERRW-QWHCGFSZSA-N 308.809 2.604 0 40 DFAB Cc1nc([C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)no1 95958028 HQKXVXPXERODMC-LBPRGKRZSA-N 308.407 2.531 0 40 DFAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(C)c2ncccc12 96466542 NXFHUPACQDEAEQ-UHFFFAOYSA-N 324.384 2.911 0 40 DFAB CC(C)(C(=O)N1CCC(O[C@@H]2CCOC2)CC1)c1ccccc1 96450877 BMHSQBTWNWSGGQ-QGZVFWFLSA-N 317.429 2.761 0 40 DFAB CCN(C(=O)c1cn(-c2cccc(Cl)c2F)nn1)C1CC1 96493911 LBQIMRWGIXJQBP-UHFFFAOYSA-N 308.744 2.684 0 40 DFAB CN(C)CC[C@@H]1CCOC12CN(Cc1ccccc1Cl)C2 248074142 BKTMVAZLWRYWLP-OAHLLOKOSA-N 308.853 2.883 0 40 DFAB CCO[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1 253380535 AXJOMWMKYXNTMG-MRXNPFEDSA-N 303.406 2.521 0 40 DFAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257292784 QMYMKSDFZMNXAL-INIZCTEOSA-N 307.357 2.639 0 40 DFAB O[C@@H]1CCCOC12CCN(Cc1ccc(F)cc1Cl)CC2 257300713 RVKZOMWQVKPURH-OAHLLOKOSA-N 313.800 2.985 0 40 DFAB Cc1cc2nccc(C3CCN([C@@H]4CCCOCC4)CC3)n2n1 257205255 AYFVTASIQDZFQL-MRXNPFEDSA-N 314.433 2.786 0 40 DFAB CO[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CC[C@@]12CCCO2 257265377 LYKNIOGPXMXHTF-HKUYNNGSSA-N 315.413 2.585 0 40 DFAB COc1ccccc1[C@H]1CN(Cc2scnc2C)CCN1C 257269783 MRJCWOTVCZIGLO-OAHLLOKOSA-N 317.458 2.949 0 40 DFAB O=C(NCCn1ccc2ccoc2c1=O)c1ccccc1Cl 253407427 WJJHXVZFRHFFLP-UHFFFAOYSA-N 316.744 2.678 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@@](O)(c1ccoc1)c1ccco1 390826104 BUCWYMQPEKEAMK-FUTAKVPZSA-N 313.309 2.531 0 40 DFAB CC1(C)CC[C@H]2CN(C(=O)c3cncc(O)c3)CC[C@@]2(C)O1 585285721 MCMYLGIJSNXXPT-SUMWQHHRSA-N 304.390 2.597 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)cn1 69769917 UJOYDPFDJXYLCQ-GOSISDBHSA-N 307.401 2.943 0 40 DFAB CCOC(=O)c1c[nH]c2cc(C)c(Br)cc2c1=O 71257116 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309.413 2.824 0 40 DFAB Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@H]2C=CCCC2)c1 95965179 ZHXMCOSUULOCAH-LBPRGKRZSA-N 308.403 2.629 0 40 DFAB Cc1cc(C(=O)NCCNc2cccc(Br)c2)no1 95995549 NHDXOXBAFGPFGW-UHFFFAOYSA-N 324.178 2.587 0 40 DFAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc(N(C)C)ccn1 97104067 SDEPDXKMZDRUMQ-CYBMUJFWSA-N 311.385 2.884 0 40 DFAB CCc1ccc(-c2noc(CN3CCn4ccnc4C3)n2)cc1 97201544 MNHQDQGBPPFZQE-UHFFFAOYSA-N 309.373 2.511 0 40 DFAB Cn1cc(CCC(=O)Nc2nnc(CC3CCCC3)s2)cn1 84318326 RXVRYBWJJZCJEB-UHFFFAOYSA-N 319.434 2.576 0 40 DFAB CC(C)[C@@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCS1 72545635 TYWMDHCEOARPHK-NSHDSACASA-N 318.393 2.754 0 40 DFAB CCc1n[nH]c(S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 86170692 CDFILVNVQWPWBC-UHFFFAOYSA-N 320.201 2.648 0 40 DFAB CC[C@H](O)CCNC(=O)COc1ccc(Cl)cc1Cl 89943268 ZARUYKITPGCOAJ-JTQLQIEISA-N 306.189 2.649 0 40 DFAB Cc1ccc([C@@](C)(O)CNC(=O)N[C@H](C)c2csc(C)n2)o1 76087399 QSBYRWMPJVBHEV-BMIGLBTASA-N 323.418 2.621 0 40 DFAB NC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 24027385 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DFAB CCc1occc1C(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 570724563 DYBKRXIPRGLSAI-GOSISDBHSA-N 313.353 2.711 0 40 DFAB CCCNc1ccc(CNC(=O)NCc2cnn(C)c2C)cc1 192538086 HMHLMGAJJKGCOE-UHFFFAOYSA-N 315.421 2.550 0 40 DFAB C[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)Cn1cccn1 194917892 PBMLSZBENDNSFJ-VBNZEHGJSA-N 316.380 2.514 0 40 DFAB CSc1ncccc1C(=O)NCC[C@@H](O)c1cc(C)oc1C 85561395 NCUSMORZSQRQGM-CQSZACIVSA-N 320.414 2.867 0 40 DFAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccnc1 82339767 KKAMBZQLHIUVKD-UHFFFAOYSA-N 302.277 2.901 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)n(C)n1 96479633 ANEIGRUOSVSGPE-NSHDSACASA-N 321.402 2.551 0 40 DFAB CC[C@](Br)(C(=O)c1ccc(C)cc1)S(C)(=O)=O 96518679 RIAZWPZBRMVSQC-GFCCVEGCSA-N 319.220 2.724 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccsc1)C2 96039392 GRYVYMSYYQYGEZ-RDJZCZTQSA-N 323.458 2.725 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc(C)o1)C2 96056850 KBURDOLOQUWYKL-DOTOQJQBSA-N 307.390 2.636 0 40 DFAB COC1([C@@H](C)NC(=O)c2n[nH]c3ccc(Cl)cc23)CCC1 580628182 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DFAB O=C(c1cc(Cl)ccc1OC(F)F)N1CCC(O)CC1 79013041 AJTLAPJGOVLGLW-UHFFFAOYSA-N 305.708 2.538 0 40 DFAB C[C@@H](Cc1ccc(O)cc1)NC(=O)NCCc1cccs1 55083898 SXCGDYPUGBZBSJ-LBPRGKRZSA-N 304.415 2.927 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccoc3C)ccc21 55473728 BNJPXZIAIMCUNE-UHFFFAOYSA-N 312.369 2.769 0 40 DFAB CCSCC[C@@H](C)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 74912036 WFTMWEUJOLYJHZ-OLZOCXBDSA-N 310.467 2.830 0 40 DFAB O=C(N[C@@H]1CC=CCC1)c1cc(N2CCNC2=O)ccc1Cl 76041517 NDCGYFHHZVQEDJ-LLVKDONJSA-N 319.792 2.708 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)CCc1c(C)nc(SC)nc1C 78985591 LLYBQAPQQVYLBO-ZIAGYGMSSA-N 324.446 2.859 0 40 DFAB FC(F)(F)c1nc(CN[C@H]2CCc3c[nH]nc3C2)cs1 1548449061 ZJSUPVIXVSJJGV-QMMMGPOBSA-N 302.325 2.532 0 40 DFAB Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 11660925 DINKNBKVRVPYSU-UHFFFAOYSA-N 318.398 2.927 0 40 DFAB O=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1 13116820 VTWGHLRFLCGOAD-MSUUIHNZSA-N 312.350 2.767 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)c(OC)c1 14255903 RHPZTINDGZTEFO-UHFFFAOYSA-N 323.370 2.513 0 40 DFAB Cc1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2 19286203 RLGBXGXVBJSUFL-UHFFFAOYSA-N 308.429 2.944 0 40 DFAB CCOc1ncccc1-c1noc(CN2CCCC[C@H]2C)n1 12292702 PWTDNUUCIFTSIX-GFCCVEGCSA-N 302.378 2.905 0 40 DFAB CC(C)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841124 XASYTTCBFUINCB-SFHVURJKSA-N 302.418 2.683 0 40 DFAB CC(C)N1CCCC[C@]2(CN(Cc3ccccc3)CCO2)C1=O 2037981054 SDLXWLOENXMTTP-IBGZPJMESA-N 316.445 2.679 0 40 DFAB CC(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907803 FTGJCGZMPPASEM-MRXNPFEDSA-N 300.427 2.984 0 40 DFAB C[C@@H](c1ccccc1)N1CCC[C@H](N(C)S(=O)(=O)C2CC2)C1 2086889483 HTNITCJJTQLIRU-HOCLYGCPSA-N 322.474 2.636 0 40 DFAB Cc1noc(CNC(=O)C(c2ccccc2)c2ccccc2)n1 44454109 LLGASGBHPWVPFT-UHFFFAOYSA-N 307.353 2.826 0 40 DFAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cc1 575618139 JEBFBODAJRJGDF-QXLXQBSBSA-N 321.442 2.796 0 40 DFAB CS[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 295683467 IKSCBRALUZWNGL-GFCCVEGCSA-N 305.852 2.607 0 40 DFAB C[C@H]1CN([C@@H](C)C(=O)Nc2cccc3ncccc23)C[C@@H](C)O1 25413479 FMCIVHANBUYTSD-MJBXVCDLSA-N 313.401 2.671 0 40 DFAB CCc1ccccc1Nc1nnc(SCCC(N)=O)s1 10422735 CBJZRYKWFWCSKJ-UHFFFAOYSA-N 308.432 2.812 0 40 DFAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@H]3CCC[C@@H]32)n1 50121136 ZCKIJLNHAZPROY-RYUDHWBXSA-N 309.797 2.647 0 40 DFAB CC(C)NC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 30877464 NXJIXPMOWFBXPB-UHFFFAOYSA-N 303.284 2.509 0 40 DFAB C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1cccs1 30983514 RCACMUTZKGOAPP-RYUDHWBXSA-N 318.398 2.948 0 40 DFAB O=C(/C=C/c1nc2ccccc2o1)Nc1nnc(C(F)(F)F)[nH]1 50603837 BCMFAUDYYUMCPL-AATRIKPKSA-N 323.234 2.617 0 40 DFAB O=C(NCCC(=O)N1CCCC1)c1occc1-c1ccccc1 40468198 JZMLLGJXVLNNKW-UHFFFAOYSA-N 312.369 2.689 0 40 DFAB COC(=O)Cc1c(C)nn(-c2cc(Cl)cc(Cl)c2)c1O 100913520 QVEABOPEFLMUGR-UHFFFAOYSA-N 315.156 2.909 0 40 DFAB COc1cccc(C(=O)NCCc2nc(-c3ccccc3)no2)c1 32593586 ZPCDMBZTGUTCLS-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB biogenic Cc1ccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cc1 342799 ZTDCTJUZGGSFPH-KRWDZBQOSA-N 322.408 2.707 0 40 DFAB C[C@@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 32899534 ADDACCIEORJAKE-GFCCVEGCSA-N 319.382 2.976 0 40 DFAB COC(=O)Cc1c(C)c2ccc(OC(C)C)c(C)c2oc1=O 489198 UZLWQCOQPRXSGR-UHFFFAOYSA-N 304.342 2.913 0 40 DFAB biogenic O=C(CN1CCSC1=O)Nc1nc(-c2ccccc2)cs1 8923361 OMIOMLCBTTULAE-UHFFFAOYSA-N 319.411 2.917 0 40 DFAB C[C@@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1cccn1 95351181 NPOLCBIIRODSRY-VIFPVBQESA-N 317.299 2.751 0 40 DFAB CC(C)N(C(=O)c1ncccc1C(=O)c1ccccn1)C(C)C 1591609 YERLGCBHZLZXFQ-UHFFFAOYSA-N 311.385 2.967 0 40 DFAB Cc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21 6216063 OYVQTLJITFWYLQ-UHFFFAOYSA-N 307.762 2.630 0 40 DFAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc(-c2ccco2)[nH]n1 24907878 FKIIQRWSSFNCFP-UHFFFAOYSA-N 320.312 2.503 0 40 DFAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccsc1 25178580 MUTHLUJBONKPEF-UHFFFAOYSA-N 301.367 2.667 0 40 DFAB Cc1ccc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cn1 55759662 JRYZTQSOZDVHNU-UHFFFAOYSA-N 316.430 2.507 0 40 DFAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)OC2=O 100260956 YQRQKJAIAVDBCC-GJZGRUSLSA-N 308.765 2.795 0 40 DFAB CC(=O)N1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)CC1 56380091 XCQMKSULLGIIPQ-UHFFFAOYSA-N 314.385 2.662 0 40 DFAB COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 1621671 GLYPKDKODVRYGP-UHFFFAOYSA-O 322.340 2.793 0 40 DFAB biogenic,in-vitro O=C(Cc1ccc(-n2cccc2)cc1)NCCCCn1ccnc1 58173168 RRHOXIXCITZCIF-UHFFFAOYSA-N 322.412 2.813 0 40 DFAB Cc1cccc2c1cnn2CCCNC(=O)COc1ccccc1 72239543 CSYBPJJOXOEPDI-UHFFFAOYSA-N 323.396 2.930 0 40 DFAB COC(=O)c1cc(OC)ccc1NCc1nc(C(C)C)no1 58225219 XSZCJXJVTRUXOZ-UHFFFAOYSA-N 305.334 2.600 0 40 DFAB C[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1cccnc1 44966894 MYVNCBPTIWCUEM-GFCCVEGCSA-N 311.341 2.529 0 40 DFAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccncc1 3331245 CHENTTGRHYWRTA-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCn3c(C)ccc3[C@@H]2C)s1 84210067 JHZUQAQCVHYPAB-NSHDSACASA-N 318.398 2.862 0 40 DFAB O=C(OCC(=O)N1CCc2ccccc21)c1c(F)cccc1F 3397083 YCYNSLDIHAXSIX-UHFFFAOYSA-N 317.291 2.711 0 40 DFAB Cc1oc(-c2ccco2)nc1COc1ccc(-n2cnnn2)cc1 58412811 LQEKEYHKJQCJFD-UHFFFAOYSA-N 323.312 2.798 0 40 DFAB CC(C)[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc(F)cc1 45151061 PKZVEMRLPUDIJJ-BXUZGUMPSA-N 319.384 2.712 0 40 DFAB COc1ccccc1CN(CCn1c(C)csc1=O)C1CC1 48354502 VUFRFRYABVTCNO-UHFFFAOYSA-N 318.442 2.891 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccccc1 3450112 RAVLKXWGOSDDBM-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB CN1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 174438248 HHOFRYSJOBDXNZ-UHFFFAOYSA-N 312.866 2.890 0 40 DFAB O=C(NC[C@H]1CCCO1)c1ccc(OCc2ccncc2)cc1 29752885 ADLQBMSHAWBIOV-QGZVFWFLSA-N 312.369 2.569 0 40 DFAB O=C(c1cc(-c2cccnc2)on1)N1CCO[C@H]2CCCC[C@@H]21 46483167 RHOXBFPXZCLCIJ-GJZGRUSLSA-N 313.357 2.520 0 40 DFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)cc1F 3435260 WKLVJBCGOYHORK-UHFFFAOYSA-N 317.291 2.711 0 40 DFAB Cc1oc(-c2cccs2)nc1C(=O)NCCCN1CCCC1 46741800 GXYFOTIPJQQJGW-UHFFFAOYSA-N 319.430 2.927 0 40 DFAB CCN(C(=O)CCc1c(C)nc2ncnn2c1C)c1ccccc1 47220027 GKYZCAGMBMVFMX-UHFFFAOYSA-N 323.400 2.727 0 40 DFAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 13012408 VPCVKBSAYJFMCI-NSHDSACASA-N 311.341 2.571 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 13170757 VQXMGZKQTOYAKE-NSHDSACASA-N 307.777 2.695 0 40 DFAB CC(C)CCc1noc(CN2C(=O)CC3(CCCCC3)C2=O)n1 63429693 QLJJPBCTOMTNEK-UHFFFAOYSA-N 319.405 2.868 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4157325 PMNXEXMMLCDUGS-OSRDXIQISA-N 301.342 2.575 0 40 DFAB CC(C)n1cnnc1SCC(=O)N[C@H](C)c1ccc(F)cc1 9212803 VGJJSGWTMKBSTI-LLVKDONJSA-N 322.409 2.968 0 40 DFAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(F)c(F)c1 13947738 ZJSVHZATFVSNDA-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB O=C(NCCc1cccc(F)c1F)c1ccc2c(c1)OCO2 84339128 ZDOPCSHDZDLBQA-UHFFFAOYSA-N 305.280 2.666 0 40 DFAB O=C(NCc1ccncc1)c1nn(-c2ccccc2)c2c1CCC2 9338967 KZVYTNDDPJRSAR-UHFFFAOYSA-N 318.380 2.686 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(CC)C2)c1 65586665 FGUONFUKOUAEDC-HNNXBMFYSA-N 318.421 2.641 0 40 DFAB O=C(Nc1nonc1-c1ccccc1)[C@@H]1COc2ccccc2O1 5389284 RGRAJGCIOVEFEW-AWEZNQCLSA-N 323.308 2.515 0 40 DFAB Cc1ccc(/C=C/C(=O)NCc2nnc3ccccn23)c(C)c1 14184372 QHBBSNOHNLVEBM-CMDGGOBGSA-N 306.369 2.676 0 40 DFAB Fc1cc2c(c(COc3ccc4c(c3)OCO4)c1)OCOC2 9365301 FRPLZSPCLGJIJD-UHFFFAOYSA-N 304.273 3.000 0 40 DFAB C[C@H]1CCCCN1c1nc2nonc2nc1N1CCCC[C@@H]1C 4537336 SJIYTUWDXKDJBT-RYUDHWBXSA-N 316.409 2.770 0 40 DFAB COC(=O)Nc1cc(NC(=O)c2cccnc2OC)ccc1F 66488771 BTHRRAKRFCODFQ-UHFFFAOYSA-N 319.292 2.660 0 40 DFAB Nn1c(SC[C@@H]2CCCCO2)nnc1-c1ccccc1Cl 22132358 LKKVYPOZWFGPFL-JTQLQIEISA-N 324.837 2.974 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccccc1F 14899522 ZGDDWQVCQXWBCX-UHFFFAOYSA-N 309.344 2.870 0 40 DFAB O=C(CN1CCC[C@@H](N2CCCC2)C1)NC1CCCCCCC1 84544056 VKVKSBOHUDYAPO-GOSISDBHSA-N 321.509 2.776 0 40 DFAB CCc1nc(C)ccc1OCC(=O)N1CCC2(CCCO2)CC1 71760194 SUUHIJGTPLJMBH-UHFFFAOYSA-N 318.417 2.503 0 40 DFAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15594434 IUGHJRMVWGMMAI-SNVBAGLBSA-N 313.382 2.976 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccoc2)c1C 9517027 SQRUNSRURZPKPS-LLVKDONJSA-N 303.314 2.855 0 40 DFAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc2nccn2c1 68265719 GFUAXEYLZDJPEN-UHFFFAOYSA-N 307.357 2.582 0 40 DFAB Cc1cnn(CCNCc2ccc(OCc3cccnc3)cc2)c1 71872135 APLVLXCYVGWVCM-UHFFFAOYSA-N 322.412 2.955 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)c1c[nH]cc1C)CC2 71808686 PEVUYYPNMULNSR-UHFFFAOYSA-N 300.358 2.539 0 40 DFAB COc1ccc(CN(CC(=O)N[C@H](C)C2CC2)C2CC2)cc1 16355026 GLLHKSLOUIXJFZ-CYBMUJFWSA-N 302.418 2.574 0 40 DFAB COc1ccccc1CNC(=O)c1cnn(-c2ccccc2)c1 8136451 CXHVSVCXKTXAAN-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB C[C@@H](O)CN1CCC(CNCc2c(F)cccc2Cl)CC1 69349889 KAEYOXZNJCPXET-GFCCVEGCSA-N 314.832 2.662 0 40 DFAB CN(C)C1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 72012850 ODSDDAUZEVEEHG-NWDGAFQWSA-N 306.372 2.908 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)NCC(C)(C)c1ccc(F)cc1 69513513 OHRPUTFZHSOBFY-XJKSGUPXSA-N 323.408 2.804 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1F 8509347 XPEPLXHGSODGQR-UHFFFAOYSA-N 323.389 2.963 0 40 DFAB CCOc1cc(-c2noc(C3CCNCC3)n2)ccc1OC 72176024 JPUQQFHXKCRTFK-UHFFFAOYSA-N 303.362 2.611 0 40 DFAB Cc1nn(C)c2ncc(NC(=O)N[C@@H]3COc4ccccc43)cc12 84067834 NMPITMSVZVLMFV-CQSZACIVSA-N 323.356 2.532 0 40 DFAB CCn1c([C@H]2CCCN2Cc2nnc(C)n2C)nc2ccccc21 84131185 LBGVLENSXJUEHM-MRXNPFEDSA-N 324.432 2.830 0 40 DFAB CS[C@@H](C)CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 97032113 IBFBUPLPTGUQEQ-WRWORJQWSA-N 308.230 2.895 0 40 DFAB CCN1C[C@@H](COC(=O)c2ccc3nc(C)ccc3c2)CC1=O 97022201 WDYFVMXQODPINH-ZDUSSCGKSA-N 312.369 2.568 0 40 DFAB Cc1nnc(CN(Cc2nc(CC(C)C)no2)C(C)(C)C)o1 95428194 JRSVXAVKJGLQSV-UHFFFAOYSA-N 307.398 2.760 0 40 DFAB Cc1cccnc1CNC(=O)NCCCc1nc2ccccc2[nH]1 84850796 QUXUVIMMHNGIJM-UHFFFAOYSA-N 323.400 2.698 0 40 DFAB COc1cccc(-n2ccnc2SC[C@H]2CCOCO2)c1 95956601 PMMLKVNGVJBIGG-CQSZACIVSA-N 306.387 2.736 0 40 DFAB CCc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)s1 95960560 NMMGDRKHJAVZJM-NSHDSACASA-N 322.361 2.790 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CC1=CCCCC1 95980355 JZXBNDNHMPUYKQ-OAHLLOKOSA-N 303.406 2.817 0 40 DFAB O=C(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1ccccc1 95998172 HSNWBLWFRCHESM-INIZCTEOSA-N 318.380 2.690 0 40 DFAB CCC(CC)n1nccc1C(=O)NC1CCC(C(=O)O)CC1 95989494 ISVPBZBZQINOPX-UHFFFAOYSA-N 307.394 2.617 0 40 DFAB COc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2C(C)(C)O)ccc1F 95939480 JRINMLVMNUVSEW-IAQYHMDHSA-N 324.396 2.840 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)Nc1nc2ccccc2s1 9977372 ZPGQNWKSZTVORG-UHFFFAOYSA-N 320.418 2.675 0 40 DFAB C[C@@H](CNC(=O)N1CCc2ccccc2C1)CC1(C)OCCO1 89895172 UMMGTAUAVISQFR-CQSZACIVSA-N 318.417 2.544 0 40 DFAB C[C@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@@H]1N(C)C 76056711 LGLWKBJCRBSSEO-BONVTDFDSA-N 305.809 2.843 0 40 DFAB c1ccn2cc(CN3CCC[C@H]3c3noc(C4CC4)n3)nc2c1 76047429 ABWHVBSEIFYSQB-AWEZNQCLSA-N 309.373 2.932 0 40 DFAB CCc1nc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)no1 76075786 NXVLFCLPKDKESC-GJZGRUSLSA-N 301.390 2.720 0 40 DFAB O=C(NCC1(O)CCCCCC1)c1c[nH]nc1-c1ccccc1 76021606 UYKMXECTFUMQEG-UHFFFAOYSA-N 313.401 2.892 0 40 DFAB Cc1ccccc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 32751548 MLEPWULLOHEUMZ-AWEZNQCLSA-N 318.442 2.835 0 40 DFAB CN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357948 IWXPLZBWQQBRPC-LJQANCHMSA-N 323.440 2.898 0 40 DFAB COc1ccc(-c2nnc(N(C)C(=O)C3CCC3)s2)cc1 34791636 UJFLNTGLLFTGHQ-UHFFFAOYSA-N 303.387 2.977 0 40 DFAB CN(C)CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72358168 DPOHOQSKOFRPOE-LJQANCHMSA-N 323.440 2.898 0 40 DFAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4ccncc4)C[C@H]32)nc1 72392557 ZNJXVTREBITWSY-SCTDSRPQSA-N 309.413 2.515 0 40 DFAB Cn1cc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cn1 78655919 XYYBIWNYHCVSIF-HUUCEWRRSA-N 303.793 2.536 0 40 DFAB Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1 188038219 MXIXPTGLMSLIHA-UHFFFAOYSA-N 305.422 2.532 0 40 DFAB COC(=O)C1CCN(C(=O)CCCOc2cccc(C)c2)CC1 42236635 WNRRZIBYDDWWTD-UHFFFAOYSA-N 319.401 2.566 0 40 DFAB Cc1ccccc1-c1noc(=O)n1Cc1cn2ccsc2n1 195529837 YBFXIOLQXAGKQQ-UHFFFAOYSA-N 312.354 2.569 0 40 DFAB CCOC(=O)CN(C(=O)c1cscn1)c1ccc(C)cc1 225600410 RKOJWWMGNVCZHE-UHFFFAOYSA-N 304.371 2.661 0 40 DFAB C[C@H](O)c1ccccc1NC(=O)c1cc(-n2cccn2)ccn1 97232654 SBXMKYKZTIPHQI-LBPRGKRZSA-N 308.341 2.573 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](Oc2ccccn2)C1 95418697 QAUGPWBEBMDAON-YESZJQIVSA-N 308.381 2.865 0 40 DFAB CC1(C)CCc2sc(NC(=O)NCC3=CCCOC3)nc21 333562240 QUAJGFBQOZAXDZ-UHFFFAOYSA-N 307.419 2.835 0 40 DFAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccccc2)Oc2ccccc21 96111894 COWAWLSWZUYZBE-RDJZCZTQSA-N 308.381 2.685 0 40 DFAB biogenic,in-vitro O=C(NCc1ccon1)NCc1ccccc1N1CCCCC1 96499808 HUYRGOPMOUEPSX-UHFFFAOYSA-N 314.389 2.664 0 40 DFAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccsc3)O2)n1 96057352 OPFYKTXAIMYKMX-MCIONIFRSA-N 305.403 2.934 0 40 DFAB C[C@H]1C[C@H]2CN(C(=O)COc3cccc(Cl)c3)CC[C@@H]2O1 96045963 YPBGYWIQBRTJOK-HUBLWGQQSA-N 309.793 2.745 0 40 DFAB COc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1OC 95533452 ZXNDXRSAECYHIE-OAHLLOKOSA-N 310.357 2.537 0 40 DFAB CCOC[C@@H]1CN(Cc2csc(C)n2)Cc2cnn(CC)c21 96198346 HPMFWVLJRSJXQI-AWEZNQCLSA-N 320.462 2.804 0 40 DFAB O=C(C1CCOCC1)N1CCO[C@@H](Cc2cccc(Cl)c2)C1 257236305 HBNVPRBBMPFOAL-INIZCTEOSA-N 323.820 2.537 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2Cc2cnn3c(C)cc(C)nc23)n1 257259641 KZHJAMMCJXFHAW-MRXNPFEDSA-N 324.432 2.725 0 40 DFAB C[C@]12CCCCN(Cc3ncccc3F)[C@H]1CCCC(=O)N2 257225253 FFLLATHYNWUBFF-RDJZCZTQSA-N 305.397 2.634 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 253591750 PZWAYSGZNDUEHN-FFSVYQOJSA-N 308.385 2.688 0 40 DFAB CC(=O)N1[C@H](c2ccccc2F)C[C@]2(C)NC(=O)CCCC[C@H]12 257238255 HKDYGJJYVMIXFG-BQFCYCMXSA-N 318.392 2.937 0 40 DFAB Cc1ncsc1C(=O)N1CCC(Cc2ccncc2)CC1 257250417 JMKUMHGXAJYGBW-UHFFFAOYSA-N 301.415 2.941 0 40 DFAB O=C(CC1(O)CCCCC1)N1CCC(Cc2ccncc2)CC1 257284608 PDLFIOOXHCFTDT-UHFFFAOYSA-N 316.445 2.948 0 40 DFAB NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCC23CCC3)c1 282669486 JAGFGSLYYTUKCQ-DLBZAZTESA-N 313.445 2.881 0 40 DFAB COCCN1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532004 KJYYGPCMEZHEFU-UHFFFAOYSA-N 318.339 2.838 0 40 DFAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccccc1Cl 58266875 UOQXWOAZTINDHE-LSDHHAIUSA-N 308.809 2.922 0 40 DFAB COC(=O)c1cc(COc2ccccc2-c2nc[nH]n2)oc1C 95986692 WNWWNCTVXWQWDM-UHFFFAOYSA-N 313.313 2.739 0 40 DFAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(C)no1 189511124 CZEKRUAVQLVJPI-KRWDZBQOSA-N 302.374 2.786 0 40 DFAB C[C@H]1C[C@H](NCc2ccc(CO)o2)CCN1Cc1ccccc1 96456805 QHLLEJNLRGXVNV-DOTOQJQBSA-N 314.429 2.915 0 40 DFAB O=S(=O)(C1CC1)N1CCS[C@@H](c2cccs2)CC1 219547988 DWJKVNLDYPMIRJ-GFCCVEGCSA-N 303.474 2.720 0 40 DFAB CO[C@@H]1CCN(C2CCOCC2)C[C@H]1Cc1cccc(F)c1 1615140441 MBJWGJUHNUNICE-CRAIPNDOSA-N 307.409 2.884 0 40 DFAB C[C@H](c1ccccc1)N1C[C@@H]2CN(C(=O)C(F)(F)F)CC[C@@H]21 1772715330 XUWVOYMSWOOSII-XBFCOCLRSA-N 312.335 2.843 0 40 DFAB CCc1nn2c(=O)cc(COc3ccccc3Cl)nc2s1 13367684 LXLKKXSKOVVART-UHFFFAOYSA-N 321.789 2.946 0 40 DFAB NC(=O)c1ccc(COC(=O)c2ccc(Cl)cc2O)cc1 16814791 JCEOZIOWROTNLO-UHFFFAOYSA-N 305.717 2.502 0 40 DFAB COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)O)C(=O)OC2 2014826 HPNSFSBZBAHARI-WTKPLQERSA-N 320.341 2.733 0 40 DFAB in-vitro CCCN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21 8840574 ZKZMQKYYULIPFQ-UHFFFAOYSA-N 310.419 2.526 0 40 DFAB O=C(CSc1ncccn1)NC12CC3CC(CC(C3)C1)C2 6083560 LUNNKYQHNDGNMW-UHFFFAOYSA-N 303.431 2.654 0 40 DFAB Cc1ncnc(C(=O)NCc2ccc(Br)cc2)c1C 1888860187 RPHKAIOJLKDUNN-UHFFFAOYSA-N 320.190 2.786 0 40 DFAB CCNC(=O)c1snc(-c2ccccn2)c1NC(=O)C(C)C 1888863532 LUUONPHVADIZPB-UHFFFAOYSA-N 318.402 2.549 0 40 DFAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1cccc(Cl)c1 4279992 USZHPZVRHXMKHP-ZDUSSCGKSA-N 322.748 2.505 0 40 DFAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1ccncc1 23127221 BNLLYDCNZVZBIU-UHFFFAOYSA-N 311.316 2.735 0 40 DFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC(C(F)F)C2)c1C 585391369 LBRNBFDJHFBGDZ-UHFFFAOYSA-N 303.374 2.806 0 40 DFAB c1ccc2nc(N3CC(c4nnc5ccccn45)C3)ccc2c1 2298235905 KCCGZUDHPGKYPO-UHFFFAOYSA-N 301.353 2.881 0 40 DFAB CCOCCNC(=O)Nc1ccc(N2CCSCC2)cc1C 51673056 HYXDVYAFGHVTDB-UHFFFAOYSA-N 323.462 2.706 0 40 DFAB CC(=O)N1CCC(C(=O)Nc2cccnc2)(c2ccccc2)CC1 32647185 LEDCYLXPHGJRFC-UHFFFAOYSA-N 323.396 2.600 0 40 DFAB O=C(NCc1cccs1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 382583 HGQXZMXYWYAXKW-NSHDSACASA-N 318.373 2.557 0 40 DFAB CCCCCCNC(=O)NCc1ccc(-n2cccn2)nc1 32795314 ZZODYEUEKPCNCY-UHFFFAOYSA-N 301.394 2.647 0 40 DFAB O=C1C[C@@H](Nc2ccc3c(c2)CCC3)C(=O)N1Cc1ccccc1 103081231 CVQDJWKXADKTGK-GOSISDBHSA-N 320.392 2.915 0 40 DFAB Nc1cc(N)nc(SCc2ccc(Br)cc2)n1 574373 FQKXURUOJGNYIH-UHFFFAOYSA-N 311.208 2.696 0 40 DFAB COc1ccnc(N[C@H](c2cccc(F)c2)c2nccn2C)n1 53599776 CJCPLWAAUPZGKQ-CQSZACIVSA-N 313.336 2.559 0 40 DFAB COc1ccc(O[C@H](C)C(=O)NCc2nc(C)cs2)cc1 23247092 JNYSETWHQYLMFG-LLVKDONJSA-N 306.387 2.544 0 40 DFAB Cc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 557544 NOOCBXFFYLCCJY-UHFFFAOYSA-N 314.366 2.851 0 40 DFAB CCc1noc([C@@H](C)N2CCN(c3cccc(C)c3)CC2)n1 42652034 NVZFOWBKFBSDMK-CQSZACIVSA-N 300.406 2.824 0 40 DFAB CC[C@H](NC(=O)NCc1nccn1C)C(C)(C)c1ccccc1 78952645 CTBLPFXSXIIESJ-HNNXBMFYSA-N 314.433 2.976 0 40 DFAB CN(C)CCCSc1nnc(-c2ccc3c(c2)OCO3)o1 1872012 SQSLREVBNAIJIP-UHFFFAOYSA-N 307.375 2.509 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)NC[C@@H]3CCCO3)on2)cc1 42867829 SIZZDNYQZCSUAD-AWEZNQCLSA-N 315.373 2.628 0 40 DFAB CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(O)cc1 6747791 DRVBGWFMTQYLLR-KRWDZBQOSA-N 305.337 2.957 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 7214334 CQXZFEXNZAVASO-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB O=C(CCc1nc2ccccc2[nH]c1=O)NC1CCCCCC1 8217038 PDUHDTOGFOEFHU-UHFFFAOYSA-N 313.401 2.695 0 40 DFAB Cc1cc(CN[C@@H]2CCS(=O)(=O)C2)c(C)n1C1CCCCC1 8428722 GHDZCNSHNJNDMR-MRXNPFEDSA-N 324.490 2.887 0 40 DFAB CCC(=O)N1CCN(c2cc3sc(N)nc3cc2Cl)CC1 57332451 LZDQYVYDCVZIEI-UHFFFAOYSA-N 324.837 2.591 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(F)cc2[nH]cnc12 58200866 PWJAFAYSPFYILP-UHFFFAOYSA-N 323.331 2.851 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58212090 AXQKQCCLIKJMAA-QGZVFWFLSA-N 301.434 2.765 0 40 DFAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1 3316700 COWXBNJOHZKDNA-UHFFFAOYSA-N 323.304 2.589 0 40 DFAB CCOCCSc1nc(-c2ccc(OC)cc2OC)n[nH]1 58357776 AWZXORICGCRZAV-UHFFFAOYSA-N 309.391 2.618 0 40 DFAB COc1ccc(C)cc1CN1CCN(Cc2cscn2)CC1 58340997 RHFHYFSOYDLRLP-UHFFFAOYSA-N 317.458 2.778 0 40 DFAB CCN(CC)[C@H](CNC1=NCCCN1)c1ccccc1Cl 58329380 BBEZDNVEFVPPFU-OAHLLOKOSA-N 308.857 2.662 0 40 DFAB C[C@@H](C(=O)NC1CCCC1)n1c(S)nnc1-c1cccs1 58418254 WWHVQYOZGLUGFC-VIFPVBQESA-N 322.459 2.915 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc([C@H](C)O)cc2)c1C 58406309 GWALEALZXBMXPO-LBPRGKRZSA-N 314.385 2.817 0 40 DFAB Cc1cc(NC(N)=S)cc(-c2nc3ncccc3o2)c1O 20154603 OFYUOMQZLOJTQO-UHFFFAOYSA-N 300.343 2.559 0 40 DFAB Fc1ccc(-c2n[nH]cc2CNCCNc2cccnc2)cc1 55211676 KJEAQZXGJKEHCM-UHFFFAOYSA-N 311.364 2.813 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)NCCCc1ccccc1 2436374 AICFQJIWEBYISN-HNNXBMFYSA-N 306.406 2.506 0 40 DFAB CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 11377669 FHUGQKJVFMUKLT-QFBILLFUSA-N 324.380 2.577 0 40 DFAB Cc1ccccc1NC(=O)CCn1c(=O)n(C)c2ccccc21 12853941 QSMLTQGTBCHRIA-UHFFFAOYSA-N 309.369 2.677 0 40 DFAB CCOCCCNS(=O)(=O)c1cc(C)c(Cl)cc1C 11566218 ADAHFDTXLOKNMV-UHFFFAOYSA-N 305.827 2.662 0 40 DFAB CCC[C@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 84740177 RSSQMASGJWZJLB-INIZCTEOSA-N 318.461 2.961 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3ccccc3C(C)(C)C)nn12 3430506 AHGLZFUWBNYWJX-UHFFFAOYSA-N 309.373 2.983 0 40 DFAB Cc1nccn1-c1cc(CNC(=O)N2CCC[C@@H](C)C2)ccn1 46101859 LIOLPQSVTREULA-CYBMUJFWSA-N 313.405 2.517 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H]1c1ccsc1 46464765 HHTXQGDBGKUNML-OCCSQVGLSA-N 304.419 2.880 0 40 DFAB CC(C)(C)c1ccc(C(=O)COC(=O)c2cc[n+]([O-])cc2)cc1 2640597 WTENQXYABQOGSM-UHFFFAOYSA-N 313.353 2.657 0 40 DFAB COc1ccccc1NC(=O)CCCNC(=O)c1cccs1 12925051 WVQPAWDHOBARBK-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB NC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 13141391 MPAYXNVRZMWLTL-UHFFFAOYSA-N 322.286 2.986 0 40 DFAB COc1ccccc1CN(Cc1cccs1)S(C)(=O)=O 49050327 JZDQILSPYMNBJH-UHFFFAOYSA-N 311.428 2.719 0 40 DFAB O=C(NCC1(CO)CC1)N[C@H]1CC2(CCC2)Oc2ccccc21 95411624 AXAJBFSRWGSIQL-AWEZNQCLSA-N 316.401 2.505 0 40 DFAB Cc1nccc(NC(=O)CCNC(=O)OC(C)(C)C)c1Cl 96004254 YBOCAIUHEJFUAJ-UHFFFAOYSA-N 313.785 2.897 0 40 DFAB C[C@@H]1CN(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)O1 65689382 PCGABSSMBODEME-GFCCVEGCSA-N 311.470 2.505 0 40 DFAB O=C(NCc1ccccc1CO)Nc1ccn(-c2ccccc2)n1 65620657 IDBKOGGYQOYOAM-UHFFFAOYSA-N 322.368 2.686 0 40 DFAB CC1(C)CN(C(=O)c2cccc(C(F)(F)F)c2)CC[S@]1=O 96461645 NIYOMKIAHOAVSE-NRFANRHFSA-N 319.348 2.689 0 40 DFAB CCc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2)cc1 67197455 VPJNFQDVAXKVDQ-UHFFFAOYSA-N 315.344 2.861 0 40 DFAB Cc1nc2ncnn2c(SCCN(C(C)C)C(C)C)c1C 90147411 NHBQTDORQZCYTJ-UHFFFAOYSA-N 307.467 2.952 0 40 DFAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2n1 71847556 ILJAFEGCERUBLH-CQSZACIVSA-N 310.357 2.847 0 40 DFAB CCN(C(=O)[C@@H](C)[S@](=O)Cc1cc(C)no1)c1ccccc1 71859072 ZWFGCTVINSBWPT-DMZKTXOQSA-N 320.414 2.673 0 40 DFAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2ncn[nH]2)cc1 7603918 KLUIFMODLLZYTM-LBPRGKRZSA-N 318.446 2.973 0 40 DFAB Cc1cccc([C@@H](C)NC(=O)N[C@H](C)Cn2ccnc2)c1C 71909188 SPJRZZKHHBQWBK-UKRRQHHQSA-N 300.406 2.949 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)c1 8259544 YDXDZAHPVCTNTP-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB NC(=O)COc1ccccc1C(=O)Nc1cccc2c1CCCC2 21742127 BJAZTKBEIRIPAO-UHFFFAOYSA-N 324.380 2.682 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1c(C)noc1C 69894950 BZQKWSNQWVSTNP-SJORKVTESA-N 319.449 2.699 0 40 DFAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1 69917627 VAHVYXYOCAKOBZ-INIZCTEOSA-N 321.384 2.546 0 40 DFAB Cc1ccccc1C[C@H](C)NCCN1CCC(N(C)C)CC1 95968945 GRYRYGLBYJLBSC-KRWDZBQOSA-N 303.494 2.542 0 40 DFAB Cc1ccc(Cl)cc1OC[C@H](O)COC1CCOCC1 97021549 OALDHGWGBYFKPJ-CYBMUJFWSA-N 300.782 2.584 0 40 DFAB O=C(Nc1ccc(O)cc1F)[C@H]1CCCN1C(=O)C1CCCC1 97098165 GTCVZDZFKQIUIR-OAHLLOKOSA-N 320.364 2.651 0 40 DFAB O=C(N[C@H]1CCCCC[C@@H]1C(=O)O)c1cccc2cc[nH]c12 97013652 PNUFJFSQWFCLRX-JSGCOSHPSA-N 300.358 2.931 0 40 DFAB O=C(CC1(O)CCCC1)NC[C@@H]1CCO[C@H]1c1ccccc1 73974603 KHMGIWSTKLPTNO-RDJZCZTQSA-N 303.402 2.576 0 40 DFAB CCc1ccsc1CNC(=O)c1ccc(C(=O)N(C)C)cc1 87463391 ALWMXIQSWKQFQY-UHFFFAOYSA-N 316.426 2.942 0 40 DFAB CN(C)c1cccc(CNC(=O)Nc2cc(C(C)(C)C)on2)n1 95981857 ASBLMJWOWUDUQJ-UHFFFAOYSA-N 317.393 2.755 0 40 DFAB CC(C)[C@H]1CCCN1CCCN1C(=O)c2ccccc2C1=O 95955613 VPXNWCOYEVEREA-MRXNPFEDSA-N 300.402 2.793 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)nn1-c1cccc(Cl)c1 95991467 VCRBLJWKGPEDBV-RISCZKNCSA-N 319.792 2.741 0 40 DFAB CO[C@@H](CNC(=O)c1ccncc1O)c1cccc(Cl)c1 95965930 VDENJALLSXDJAX-AWEZNQCLSA-N 306.749 2.558 0 40 DFAB CC(C)[C@@H](O)CCNC(=O)c1c(F)cccc1Br 84410212 ZPHLBSTXMSHPJX-NSHDSACASA-N 318.186 2.725 0 40 DFAB O=C(NCC(=O)N1CCCC1)[C@H]1C[C@@H]1c1cccc2ccccc12 89873194 XJSPBQBMRAWAEM-MSOLQXFVSA-N 322.408 2.682 0 40 DFAB O=C1C[C@H](C(=O)N2CCC(n3cccc3)CC2)c2ccccc2N1 89857718 SSKLUEGLHCUNSX-INIZCTEOSA-N 323.396 2.778 0 40 DFAB Cc1ccc(C)n1N(CC(=O)O)C(=O)c1ccc(Cl)cc1 34776654 MLRRTEDNACTLTP-UHFFFAOYSA-N 306.749 2.621 0 40 DFAB COCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 30854559 SFVFQYMGCQDLAL-UHFFFAOYSA-N 310.397 2.626 0 40 DFAB COCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 185716101 ICVKEWXRCYWFOT-UHFFFAOYSA-N 307.390 3.000 0 40 DFAB CCN1CCN([C@@H](c2nnnn2C2CCCCC2)C(C)C)CC1 35291303 BLEFQBHJISMBCW-MRXNPFEDSA-N 320.485 2.513 0 40 DFAB CN1CCOc2ccc(NC(=O)Nc3cccs3)cc2C1=O 38489810 KTWMHCDTQRTKOH-UHFFFAOYSA-N 317.370 2.857 0 40 DFAB Cc1cnoc1CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 71256111 CTUOJUNJCOUJSX-GFCCVEGCSA-N 308.378 2.742 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC(c3cnccn3)CC2)s1 72385624 UQYMJAIOXDMMRO-UHFFFAOYSA-N 302.403 2.570 0 40 DFAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CSc2ccccc21 80624258 GYHDPEZHTALALZ-HLLBOEOZSA-N 311.406 2.650 0 40 DFAB COC(=O)c1cc(-c2ccc(/C=C\C(N)=O)o2)ccc1Cl 44263207 JEUTUWKYDJWGLV-DAXSKMNVSA-N 305.717 2.885 0 40 DFAB CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 195530583 XHCIKJMJOQMBAX-XYJFISCASA-N 318.461 2.923 0 40 DFAB Cc1sc2ccccc2c1S(=O)(=O)Nc1cnn(C)c1 84920199 RXABAJPMKFQDDV-UHFFFAOYSA-N 307.400 2.744 0 40 DFAB CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2)s1 225343643 OGKJPOWEPDOWDK-VIFPVBQESA-N 309.416 2.974 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 227165841 JNCJRAFTXFPANW-CQSZACIVSA-N 323.400 2.767 0 40 DFAB CSC[C@@H](C)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 195530544 IHIPDVICZXLXCL-OLZOCXBDSA-N 308.447 2.849 0 40 DFAB O=C(OCc1ccsc1)C1CCN(C(=O)N2CCCC2)CC1 96442686 GABAGEJPZNPAOF-UHFFFAOYSA-N 322.430 2.719 0 40 DFAB O=C(c1ccncc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496982 RIGBFEMTDXQIRY-UHFFFAOYSA-N 324.306 2.774 0 40 DFAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccnc1 96456431 KFZXNWZTNOITHU-CQSZACIVSA-N 301.777 2.744 0 40 DFAB CCc1ccc(OCC(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1 96045960 YUIULDJTTUOCRB-QRTARXTBSA-N 303.402 2.654 0 40 DFAB Cc1cc(CN(C)C(=O)Nc2ccc(C(C)(C)C)nn2)no1 96476184 OIIBBXRYNZBRCI-UHFFFAOYSA-N 303.366 2.734 0 40 DFAB COCC[S@](=O)Cc1cccc(NC(=O)CC(C)(C)C)c1 96408255 RVQMWSZBWIORJA-OAQYLSRUSA-N 311.447 2.956 0 40 DFAB Cc1nc([C@H](N[C@@H]2CCCOC2)c2ccc(Cl)cc2)no1 96494962 ZTLDXUQIBVSENL-ZIAGYGMSSA-N 307.781 2.889 0 40 DFAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1cc2ccccc2[nH]1 96499728 LNDMJKSCMUKFIC-PBHICJAKSA-N 315.417 2.860 0 40 DFAB Fc1cccc(-c2ncnc3c2CCN(c2ncccn2)CC3)c1 96187649 DCUNTCZXFSJVSR-UHFFFAOYSA-N 321.359 2.678 0 40 DFAB O=C(NCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1)C1CC1 95401980 QUCBURPVTCGART-HNNXBMFYSA-N 320.820 2.920 0 40 DFAB C[C@@H](N)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 96544710 XSKAVNAYEIVLKN-CRAIPNDOSA-N 315.486 2.954 0 40 DFAB c1ccc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cc1 96108949 CYRJUONOUHFWBD-WOJBJXKFSA-N 324.424 2.747 0 40 DFAB COc1ccc(OC)c(CN(C)Cc2nc(C)ccc2O)c1 96489714 GCOAHHBZEMBJCK-UHFFFAOYSA-N 302.374 2.745 0 40 DFAB O=C(NCC1(O)CCC1)N[C@H](c1ccccc1)c1ccco1 96416065 CNUJQVVCWKHNKH-OAHLLOKOSA-N 300.358 2.583 0 40 DFAB C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1ccc(F)cc1 96437461 HCZDRWAWOLWZNH-BZNIZROVSA-N 306.337 2.687 0 40 DFAB CCN(CC)C[C@@H]1CN(Cc2ccccc2F)Cc2cncn21 248254328 NRADCNXIYHGKFP-QGZVFWFLSA-N 316.424 2.921 0 40 DFAB Cc1cc(CN(C)[C@@H]2CCC[C@H](Oc3ccccc3)[C@H]2O)no1 257257735 KQWQDMJBLCHGIW-SQNIBIBYSA-N 316.401 2.776 0 40 DFAB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 250258521 VLBQVLILVGYHDV-UVLCOCDESA-N 307.349 2.976 0 40 DFAB C[C@H](NC(=O)c1cc2ccc(Cl)cn2n1)c1cccnc1 257245618 IQINSBLTVOPSNS-JTQLQIEISA-N 300.749 2.874 0 40 DFAB CN(c1nn(-c2ccc(F)cc2)nc1C(=O)O)C1CCCCC1 256048852 WQUKHGZMXYFTPG-UHFFFAOYSA-N 318.352 2.874 0 40 DFAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2Cc2coc(C)n2)n1 257269422 MPWWQQUVAXAUPD-QGZVFWFLSA-N 315.421 2.659 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@@H]1CCc1ccncc1 257237293 HFWTXRDCFNTSQG-CYBMUJFWSA-N 316.430 2.733 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)c2cc(C)cs2)n1 257219909 DIUNLIGSMGEVMV-GFCCVEGCSA-N 302.403 2.866 0 40 DFAB CC(C)N1CCC[C@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257338914 YZKUQEXYZIYELN-INIZCTEOSA-N 312.373 2.782 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257321131 WAEWIRNTZQKLCF-LLVKDONJSA-N 303.387 2.572 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](Cc2ccn[nH]2)C1 257324733 WPXSGKCSHUKFNR-CQSZACIVSA-N 323.396 2.667 0 40 DFAB COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccs2)C(=O)O)cc1 262052011 AELJSANSPWAUCK-IINYFYTJSA-N 319.382 2.802 0 40 DFAB COc1ccc(OC)c(C(=O)N[C@@H](CCO)C2CCCCC2)c1 83925510 ZVXRPCDVFVHIHE-INIZCTEOSA-N 321.417 2.765 0 40 DFAB CSc1nnc([C@H]2CCCN2C(=O)NC2CCCCC2)n1C 5001590 JMLWBXHYOCIMMR-GFCCVEGCSA-N 323.466 2.716 0 40 DFAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC(C)C 205454381 DPYIPTKRLRJAGJ-WJDWOHSUSA-N 312.369 2.884 0 40 DFAB COC1(CNC(=O)NCc2ccc(F)cc2)CCSCC1 225594287 CBXFQIBLOCTVRQ-UHFFFAOYSA-N 312.410 2.537 0 40 DFAB CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(C)c2)n1C 3400300 YWHWFUKOXARBBQ-LBPRGKRZSA-N 318.446 2.797 0 40 DFAB Cc1ccc(-n2ccn(CC3CCCC3)c(=O)c2=O)cc1F 1888876469 WELMJNJMGMQKBR-UHFFFAOYSA-N 302.349 2.637 0 40 DFAB O=C(NCc1ccsc1Br)[C@H]1CCCOC1 225757061 JAXXXQCHAPTVMO-VIFPVBQESA-N 304.209 2.553 0 40 DFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 363973 KKWLWIOCKJFWNZ-UHFFFAOYSA-N 305.355 2.664 0 40 DFAB CO[C@@H](CCSC)CNC(=O)c1ccc(Br)o1 1775967264 VSRVDGQBSBOPMN-QMMMGPOBSA-N 322.224 2.540 0 40 DFAB O=C(Cc1noc2ccccc12)N1CCn2c1nc1ccccc12 36709800 LKROIDMWMCTHLW-UHFFFAOYSA-N 318.336 2.767 0 40 DFAB O=C(NC1CC1)C1CCN(c2ccnc3ccsc23)CC1 374161098 VGYSWZGVOPPBOT-UHFFFAOYSA-N 301.415 2.791 0 40 DFAB CCOC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 63907152 HZNZCCFBOOYXDD-UHFFFAOYSA-N 318.398 2.823 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Nc1ccccc1)CC(C)C 40088362 FOFOKHKDWLLKDO-AWEZNQCLSA-N 307.394 2.969 0 40 DFAB C[C@H]1CN(C2CCN(c3nc4ccccc4s3)CC2)CCO1 40549044 VCHFGISEULXSTG-ZDUSSCGKSA-N 317.458 2.986 0 40 DFAB Cc1occc1C(=O)Nc1cccc(CN2CCOC2=O)c1 40539518 NWQAEOCMHMPVJN-UHFFFAOYSA-N 300.314 2.793 0 40 DFAB Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(c23)C1=O 368736 OJJIQVMOZAXPHT-UHFFFAOYSA-N 320.352 2.573 0 40 DFAB CCOCc1c(C(=O)O[C@H]2C[C@H](C)OC2=O)oc2ccccc12 32736525 KXFYWLFFYSRCPI-HZMBPMFUSA-N 318.325 2.830 0 40 DFAB O=c1c2c3c(sc2nc2n(-c4ccccc4)ncn12)CCCC3 496016 DLYUGJTYWLJQGN-UHFFFAOYSA-N 322.393 2.974 0 40 DFAB O=C(OCc1ccccc1Cl)c1n[nH]c(=O)c2ccccc12 23077225 GMSCSTACTVMZQG-UHFFFAOYSA-N 314.728 2.934 0 40 DFAB O=C(Nc1nc[nH]n1)c1csc(-c2ccc(Cl)cc2)n1 23141646 QHZHDMISTOFBLQ-UHFFFAOYSA-N 305.750 2.834 0 40 DFAB CC(C)NC(=O)c1cc2cc(Br)ccc2oc1=O 119914 UVCKURUCWKNDIH-UHFFFAOYSA-N 310.147 2.694 0 40 DFAB CC(C)N(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1 58308966 HLHYKHCLFJFVKW-UHFFFAOYSA-N 312.417 2.604 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 58328196 MFKFESSBOMEMTE-OAHLLOKOSA-N 302.418 2.764 0 40 DFAB CN(C(=O)c1cc[n+]([O-])cc1)[C@@H](c1ccccc1)c1ccccn1 89310300 FQEVRFUQCLYXPF-SFHVURJKSA-N 319.364 2.577 0 40 DFAB CN(C(=O)C[C@@H](O)c1cccc(F)c1)c1ccc2c(c1)CCO2 89322463 JPDRZRGVLRINGT-MRXNPFEDSA-N 315.344 2.847 0 40 DFAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 3894065 ZFKKFYFTGRHWSA-BBRMVZONSA-N 308.447 2.858 0 40 DFAB COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@H]2CC[C@H]1C2 100410673 LITNEAPWQHVPOK-RBOXIYTFSA-N 316.401 2.659 0 40 DFAB in-man O=C1C[C@@H](c2nc(-c3ccncc3)no2)CN1Cc1ccccc1 109689349 IQFBIZMMDMLVPK-OAHLLOKOSA-N 320.352 2.648 0 40 DFAB Cc1cccc(CN2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)n1 107787817 VWJNTPTVVXTNME-RTBURBONSA-N 316.445 2.940 0 40 DFAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1 2497030 ZYEDIPWVVTXTFA-HNNXBMFYSA-N 306.406 2.617 0 40 DFAB COc1ccccc1NC(=O)NC1(c2noc(C)n2)CCCC1 69652914 KOGIMDSFSHZLON-UHFFFAOYSA-N 316.361 2.978 0 40 DFAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100625938 XJDYMPVMDYGLSM-AFJPYQPYSA-N 315.369 2.793 0 40 DFAB COc1cc(OC)c(OC)cc1CNC(=O)c1occc1C 21669199 ZJXMSMAADBDSLD-UHFFFAOYSA-N 305.330 2.544 0 40 DFAB CCOC(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)nc1 29527460 DSHJNQIKQYRHLA-CQSZACIVSA-N 301.346 2.896 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)C(C)C 41329855 BLERXHGUCYQBTR-DLBZAZTESA-N 302.418 2.553 0 40 DFAB C[C@@H](NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 100259803 XHDCLAIZWOHGHB-NXOUGTEYSA-N 301.386 2.986 0 40 DFAB C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1ccccc1F 41625972 USUPXIAYSFNEEU-CYBMUJFWSA-N 311.364 2.994 0 40 DFAB COc1ccc([C@@H](C)NC(=O)CCn2nc(C)cc2C)cc1F 22102805 PQDJWBHFVGGDPJ-CYBMUJFWSA-N 319.380 2.915 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2oc(=O)[nH]c2c1 29836067 YNAJCIVGGSFADC-QHHAFSJGSA-N 324.292 2.502 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 69527886 DTBBGIMWSOHPMQ-MRXNPFEDSA-N 316.445 2.873 0 40 DFAB C[C@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 54686789 UZSBHBIRUBUZPC-ZFWWWQNUSA-N 321.490 2.984 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 28226000 QQSKNQLVCCMEEY-SJORKVTESA-N 307.397 2.534 0 40 DFAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c[nH]1 55553117 HXTPNVJOJIVTHI-APPZFPTMSA-N 305.359 2.519 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 43583607 SMWSBIKYIOIYDF-GFCCVEGCSA-N 309.793 2.986 0 40 DFAB O=C(C[C@@H]1CCOc2ccccc21)N[C@H]1CCCC[C@H]1CO 107365357 CAAUORITDLKUOR-DZKIICNBSA-N 303.402 2.610 0 40 DFAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(C)no2)c1 27279845 QUXYMOAHISFBIS-CQSZACIVSA-N 303.362 2.732 0 40 DFAB COc1ccccc1CN1CCC(NC(=O)[C@H](C)SC)CC1 58264212 SQRIMTMWBKPUSH-ZDUSSCGKSA-N 322.474 2.527 0 40 DFAB Brc1cccc(Cc2noc(Cn3ccnc3)n2)c1 67376152 WUZSAHNCCABCCK-UHFFFAOYSA-N 319.162 2.668 0 40 DFAB CN1CCN(c2ncc(Br)cn2)Cc2ccccc21 67371781 OGYDVNZPUSALDU-UHFFFAOYSA-N 319.206 2.696 0 40 DFAB C[C@@H]1C[C@@H](C)CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 3285510 KVIOTUYIXFUHQL-GHMZBOCLSA-N 317.458 2.951 0 40 DFAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccon1 48302770 YDKPIJHASIEACY-UHFFFAOYSA-N 323.356 2.912 0 40 DFAB COC(=O)c1ccc(N[C@@H](C)c2cc(F)ccc2OC)nn1 48332306 ZDWHTOBGSJAGHW-VIFPVBQESA-N 305.309 2.584 0 40 DFAB CC(C)c1cccc(NC(=O)COc2nnc3ccccn23)c1 12847070 MAMNHZFHFAGQQJ-UHFFFAOYSA-N 310.357 2.870 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 67622309 BRPNKHGDHPJKCD-MRXNPFEDSA-N 313.401 2.641 0 40 DFAB CCc1nc(NC(=O)c2cccc3c2OCC(=O)N3)sc1C 69349775 JJXYRLZOUQCKDI-UHFFFAOYSA-N 317.370 2.597 0 40 DFAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(CO)cc1 3519743 DMYOGRCBEVDXTB-UHFFFAOYSA-N 309.321 2.700 0 40 DFAB CCCn1nc(C)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1C 90408865 DUUXTBYXYBWMGS-UHFFFAOYSA-N 312.377 2.742 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 409228137 UOLOZDPHTTWPHD-DHZHZOJOSA-N 309.163 2.752 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(Cl)s1 49445745 GCTAEECMZROSDB-DTWKUNHWSA-N 317.842 2.504 0 40 DFAB Cc1ccc(C)c(OC[C@@H](O)CSc2nccn2C)c1C 65474552 MFEYEXABIPUOBB-CQSZACIVSA-N 306.431 2.877 0 40 DFAB CCc1cc2c(=O)n(NC(=O)c3ccc(C)s3)cnc2s1 14122436 MSCVTPZIEJISIJ-UHFFFAOYSA-N 319.411 2.774 0 40 DFAB CSCC[C@H](NC(=O)CSC)c1nc2ccccc2[nH]1 14275292 BJYPMIXSAQUUQS-LBPRGKRZSA-N 309.460 2.836 0 40 DFAB NC(=O)CCN(C(=O)Cc1ccccc1Cl)c1ccccc1 14247053 VKWFKJCLRIJKQC-UHFFFAOYSA-N 316.788 2.791 0 40 DFAB CN(C[C@H]1COc2ccccc2O1)c1ncnc2sccc12 8063442 IRTWVINWSLLZJZ-NSHDSACASA-N 313.382 2.968 0 40 DFAB O=C(CCC(=O)c1cccs1)NCc1ccc2c(c1)OCO2 8181271 NDIUJLCHHPOITI-UHFFFAOYSA-N 317.366 2.756 0 40 DFAB Cc1cnn(C2CN([C@@H](C)c3nc(-c4cccs4)no3)C2)c1 69702724 BXIZVAUOJMMBNH-NSHDSACASA-N 315.402 2.921 0 40 DFAB COc1c(Cl)cc(NC(=O)N2CCOCC2)cc1Cl 69778016 GZSLHSPIKNIDPZ-UHFFFAOYSA-N 305.161 2.866 0 40 DFAB CCc1ccc(CNc2ccc(-n3cc(CO)nn3)cc2)cc1 96013586 DTOORWIULYVAOP-UHFFFAOYSA-N 308.385 2.934 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)NCc1ccc(C)cc1 9335627 SZHZFFWDCZXWMI-UHFFFAOYSA-N 312.369 2.649 0 40 DFAB CCCCc1nc(CN2CCC[C@@H]2Cn2cc(C)cn2)no1 71875983 VPIFDKBJLGUQFW-CQSZACIVSA-N 303.410 2.582 0 40 DFAB C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCCO1 71886636 KILADXBYLKUTAN-CXAGYDPISA-N 315.417 2.967 0 40 DFAB O=C(CCOc1ccccc1)N1CCCC[C@H]1Cn1cccn1 71864975 INENQBCZSCIXAG-INIZCTEOSA-N 313.401 2.733 0 40 DFAB CCN(CC)CCNc1ncnc2c1[nH]c1ccc(OC)cc12 19940097 QIEQLHALKYLXTQ-UHFFFAOYSA-N 313.405 2.873 0 40 DFAB CN(c1nc(Cn2nnc(-c3cccs3)n2)cs1)C1CC1 83869834 NCMAKFKGEUZTNQ-UHFFFAOYSA-N 318.431 2.505 0 40 DFAB CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2cccs2)c1 83843705 DYQQPNIPECQPFW-UHFFFAOYSA-N 323.439 2.991 0 40 DFAB Cc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 71900081 KSGBELRIOLSYMA-HNNXBMFYSA-N 312.344 2.669 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@]2(CC=CCC2)C1 71907953 RPEGRVVGSQATPU-KRWDZBQOSA-N 302.422 2.787 0 40 DFAB O=S(=O)(Nc1cc(F)ccc1O)c1ccc(F)c(F)c1F 75106934 ORCNDDNLHNFDPS-UHFFFAOYSA-N 321.251 2.749 0 40 DFAB Cc1cc(C)c2nc(C3CC3)cc(/C(O)=N/S(C)(=O)=O)c2c1 83937403 ZHRBPKSHFZEJCQ-UHFFFAOYSA-N 318.398 2.993 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@H]2c1ccc(F)cc1 97105492 ZETJHKXPIRUGQA-OAHLLOKOSA-N 308.316 2.725 0 40 DFAB CC(C)n1ccc(CC(=O)N2CCC[C@H](c3nccs3)C2)n1 72300315 DCIOJGDFCBRPOT-ZDUSSCGKSA-N 318.446 2.869 0 40 DFAB C[C@@H](CCNC(=O)NCC1CCC(C)(C)CC1)[S@](C)=O 89895484 PCSQADGPJCARAI-FKIZINRSSA-N 302.484 2.659 0 40 DFAB CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)c2cccs2)n1 89910140 MRXXDHSTXVQVDM-JTQLQIEISA-N 318.402 2.728 0 40 DFAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC(n2cncn2)CC1 84618641 NDVKPCPSYHWBSP-UHFFFAOYSA-N 314.433 2.514 0 40 DFAB CCCNC(=O)CN(C)C1CCN(c2ccc(Cl)cc2)CC1 95405155 LUFRJWLPCSSDPL-UHFFFAOYSA-N 323.868 2.767 0 40 DFAB CC(C)N1CC[C@@H](Nc2ccc(OC[C@@H]3CCOC3)cc2)C1=O 95406483 VQTQWMRXTSWPSV-RHSMWYFYSA-N 318.417 2.523 0 40 DFAB CCC1(O)CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 75859700 INKPWXXMROOZPE-KRWDZBQOSA-N 321.461 2.588 0 40 DFAB CNc1snc(C)c1C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 76060103 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C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncn[nH]1 32648640 FVJWLFLKTUBHCR-LURJTMIESA-N 301.133 2.518 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)cc1 32912972 SFRFXPAYHUBFTI-CQSZACIVSA-N 303.406 2.764 0 40 DFAB COc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1 36247128 UQSKOAQCVJRWIJ-UHFFFAOYSA-N 309.362 2.801 0 40 DFAB S=C(NCCCc1ccco1)Nc1ccc2c(c1)OCCO2 225804944 YRIMCIZYBPOIAL-UHFFFAOYSA-N 318.398 2.970 0 40 DFAB Cc1ccc(C(=O)NC[C@](C)(Cc2ccccc2)[C@H](C)O)o1 192056074 DZYYAOWZGIAJIK-KSSFIOAISA-N 301.386 2.948 0 40 DFAB CC(C)CCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225724817 GIKOUDATHXPXTL-UHFFFAOYSA-N 306.793 2.817 0 40 DFAB COCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1 40179207 KZFNLTJIXUKWNP-UHFFFAOYSA-N 308.341 2.666 0 40 DFAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1CC 222807550 QRDJJQVZQRTRET-GJZGRUSLSA-N 300.431 2.895 0 40 DFAB COc1cccc(C(=O)N(C)C[C@@H]2Cc3ccccc3CO2)c1 225788215 BOGZXSJQSVSCKF-SFHVURJKSA-N 311.381 2.909 0 40 DFAB CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 41262788 NYWPRMAJWYSEBT-UHFFFAOYSA-N 316.445 2.972 0 40 DFAB COc1ccc(Nc2ncnc3c2cnn3-c2ccccn2)cc1 41529066 VTSIRRDWZQUYFO-UHFFFAOYSA-N 318.340 2.963 0 40 DFAB CO[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]2CCO[C@@H]21 96217598 XXHHSSNUIUFIMN-UXLLHSPISA-N 323.820 2.677 0 40 DFAB CC(C)OC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1)C2 96040509 YJMOMIUUOFBQHV-NVXWUHKLSA-N 307.390 2.716 0 40 DFAB CN(C)C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 96047226 DOOHIIPPGKKMMU-UHFFFAOYSA-N 322.478 2.503 0 40 DFAB Cc1cccc2c1N(Cc1cn(Cc3cccnc3)nn1)CC2 97100446 OPZQHBFMSUYWMN-UHFFFAOYSA-N 305.385 2.593 0 40 DFAB Cc1ccc(Cl)c(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 97230899 QYPRHPAPQIQFTM-GHMZBOCLSA-N 309.797 2.766 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)/C=C(\C)c1cccc(OC)c1 98018947 XURQDTMVSPOYKN-IPJDOKCGSA-N 303.402 2.984 0 40 DFAB O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1ccco1 96491958 ZFSADWGCZGNDLA-UHFFFAOYSA-N 304.777 2.828 0 40 DFAB O=C(NCc1cccs1)c1cccnc1O[C@@H]1CCSC1 244975238 IHOSEZJJNQDNAK-LLVKDONJSA-N 320.439 2.957 0 40 DFAB Cn1nccc1NC(=O)c1ccc(Cc2ccccc2F)nc1 257213394 CHKGGCLYPZOPOT-UHFFFAOYSA-N 310.332 2.797 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257204991 AXDNNOQDFFVWDI-OAHLLOKOSA-N 303.406 2.534 0 40 DFAB COc1ccccc1Cc1ccc(C(=O)Nc2ccon2)cn1 257271640 MZDWDTOPCPPWDO-UHFFFAOYSA-N 309.325 2.921 0 40 DFAB CC(C)Cn1ncc2cc(C(=O)N3CC[C@@H](C4CC4)C3)cnc21 534274327 LGRNQQUZSRFMQV-CQSZACIVSA-N 312.417 2.959 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 270778345 GRQRFKBKWHDBCA-CVEARBPZSA-N 319.449 2.825 0 40 DFAB CC(C)c1ccc(CNC(=O)C(=O)NCc2cccs2)cc1 298073695 ACQRNOSHJUKZHJ-UHFFFAOYSA-N 316.426 2.804 0 40 DFAB CCOc1nc2cccc(I)c2cc1N 685937555 QYGYPHOVXLIDQG-UHFFFAOYSA-N 314.126 2.820 0 40 DFAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncc(CO)n1C 76092630 OKSFHEDXHWQOFS-GFCCVEGCSA-N 319.430 2.649 0 40 DFAB COC1CCN(C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)CC1 76088873 WOKIMJRIECCURP-LLVKDONJSA-N 312.360 2.889 0 40 DFAB Cc1ccccc1N(C(=O)CCNC(=O)[C@@H]1C[C@H]1C)C(C)C 69419408 TVXUYJBYINFLJQ-HUUCEWRRSA-N 302.418 2.899 0 40 DFAB O=C(O)[C@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1cccnc1 85347754 GTSKLCDQTQZXMV-HOTGVXAUSA-N 300.333 2.521 0 40 DFAB CCN(CC)C(=O)C[S@@](=O)Cc1ncc(Cl)cc1Cl 97148252 PKMMPHWZMSHZAO-LJQANCHMSA-N 323.245 2.506 0 40 DFAB COCC[C@@H]1CCCCN(c2nnc(CC(F)(F)F)n2C)C1 574082921 VPSXJFFTEBOFHD-NSHDSACASA-N 320.359 2.563 0 40 DFAB c1ccc(-c2nnc(N3CCC4(CC3)OCCO4)s2)cc1 95350070 UTYBCKLGORCIOV-UHFFFAOYSA-N 303.387 2.548 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)O)cc1 15444690 ZTVQXNICBNVQJO-INIZCTEOSA-N 319.426 2.786 0 40 DFAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 17321763 SEIBYZDUNYFPEO-GFCCVEGCSA-N 306.381 2.593 0 40 DFAB Cc1cc(N(C)C)cc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 19570088 VVEBGHLUWRZRSB-HNNXBMFYSA-N 301.434 2.962 0 40 DFAB O=C(CNC(=O)c1cccc2cccnc12)OCc1ccccc1 19596929 AZVHCZUPWFBRQB-UHFFFAOYSA-N 320.348 2.708 0 40 DFAB COCCOc1cccc(CN2CC[C@@H]3NCCCCC[C@H]32)c1 19712062 BGMHWOBSSMEMDW-RBUKOAKNSA-N 318.461 2.818 0 40 DFAB CO[C@@H]1CCN(Cc2cn(C)cn2)C[C@H]1Cc1ccccc1F 643914642 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DEWJVERBLMDHQN-KRWDZBQOSA-N 312.369 2.901 0 40 DFAB S=C(NCc1nc2ccccc2[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 7738571 WXZWWIOELKLNRR-WDMOLILDSA-N 300.431 2.716 0 40 DFAB Cc1ccnn1-c1ccc(C(=O)NCCc2ccccn2)cc1 21183975 XASUIUNVTGBRFI-UHFFFAOYSA-N 306.369 2.548 0 40 DFAB COc1ccccc1C(=O)N1CCN(C[C@@H]2CC=CCC2)CC1 300593 OHMNPSWJXCKBTD-MRXNPFEDSA-N 314.429 2.809 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)N2CCC[C@H](C)C2)cc1 7705131 RYNPARFWBHWIDI-LBPRGKRZSA-N 306.431 2.996 0 40 DFAB COc1ccc(NC(=O)NCCCN(C)CC(F)(F)F)cc1 45952439 LJBNEWNCZURDOB-UHFFFAOYSA-N 319.327 2.701 0 40 DFAB Cc1csc(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)n1 32833156 MYWIXPPFMDFOMW-UHFFFAOYSA-N 313.386 2.901 0 40 DFAB COC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 506343 ZJRYRYMDBQQMLB-ZETCQYMHSA-N 323.443 2.663 0 40 DFAB CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCC1 20457179 AAEJMNLCVYCYQS-HNNXBMFYSA-N 304.434 2.618 0 40 DFAB O=S(=O)(NCC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 22960186 FEJMYHQQKUGQAX-NSHDSACASA-N 323.336 2.553 0 40 DFAB O=C(NCc1cccs1)c1[nH]nnc1Nc1cccc(F)c1 23125474 JFDNBUTYOOXLPM-UHFFFAOYSA-N 317.349 2.679 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102351453 YGTMCRFFSFWHOX-GYSYKLTISA-N 304.415 2.948 0 40 DFAB CCCOC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 100015035 UCFHELPQBQCVPB-UONOGXRCSA-N 323.389 2.567 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1 55651207 FNSXDPHSKQXMAF-UHFFFAOYSA-N 323.345 2.657 0 40 DFAB Cc1cccc2c1N(C(=O)c1ccc(-n3ccnc3)nc1)CC2 178110968 FKFCXEAEFVJNBY-UHFFFAOYSA-N 304.353 2.779 0 40 DFAB O=C1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)N1 69925379 TZYDXOXSDQQYSV-UKRRQHHQSA-N 306.793 2.576 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 12522335 KESLHAKBIOGAMB-UHFFFAOYSA-N 318.442 2.900 0 40 DFAB Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c(=O)[nH]1 75118928 AVVLECSFVNUVPR-UHFFFAOYSA-N 300.333 2.627 0 40 DFAB COCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 58208523 BSUODZJYBKWGFU-KRWDZBQOSA-N 317.360 2.881 0 40 DFAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1F 28037562 IUSFQYOXDKSMDT-UHFFFAOYSA-N 319.361 2.523 0 40 DFAB CN(C(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1)C1CC1 58424179 RNWDFQQNGSVINV-UHFFFAOYSA-N 311.429 2.968 0 40 DFAB CC(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(C)C)C2)cc1 58405616 IWVJNXAFOYAESU-OAHLLOKOSA-N 310.463 2.571 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2)c1 3240225 UDIOKMSRQFABET-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1C 12601576 PMLFLEXWWWMHIQ-GBIKHYSHSA-N 306.406 2.515 0 40 DFAB O=C(Cc1ccsc1)NCCc1cnn(-c2ccccc2)c1 48326533 DKUCBHIRNSNUTP-UHFFFAOYSA-N 311.410 2.835 0 40 DFAB CCc1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)cc1 67262059 BAKVBBZOOUPUNQ-UHFFFAOYSA-N 306.369 2.760 0 40 DFAB Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)s1 12849941 ZYBLEJOUUYHLHU-UHFFFAOYSA-N 303.383 2.800 0 40 DFAB O=C(NCc1ccccc1F)c1ccccc1N1CCCC1=O 12807710 ZPHFJIYWDPDEHZ-UHFFFAOYSA-N 312.344 2.883 0 40 DFAB O=C(COc1ccc(F)c(Cl)c1)NC(=O)NC1CCCC1 3524800 FWLRRFNGVDFMDU-UHFFFAOYSA-N 314.744 2.626 0 40 DFAB O=C(/C=C/c1nc2ccccc2o1)N(C[C@@H]1CCOC1)C1CC1 63089214 FMVLZFPORBILBM-GWJCSSMESA-N 312.369 2.869 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 69455121 IGMLRLKPKYAZHI-KBPBESRZSA-N 320.458 2.520 0 40 DFAB Cc1ccc(-c2nc(C)c(/C(O)=N/S(C)(=O)=O)s2)c(C)c1 64099672 PIHQIZWRCBKYTD-UHFFFAOYSA-N 324.427 3.000 0 40 DFAB CCOC(=O)c1ccc(NC(=O)[C@@](F)(OC)C(F)(F)F)cc1 4154842 SBBFZVNFDDMVNH-GFCCVEGCSA-N 323.242 2.676 0 40 DFAB COc1ccc(C2=NO[C@H](C(=O)N3[C@@H](C)CCC[C@@H]3C)C2)cc1 5029130 FRQMOAXZCPMQNE-DCGLDWPTSA-N 316.401 2.978 0 40 DFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c(C)c1 28232967 PFWGIEOLYQKSFT-LLVKDONJSA-N 308.403 2.948 0 40 DFAB COc1cc(OC)cc(C(=O)OCc2cn3ccccc3n2)c1 5355980 GVTCNDNZKGKYEK-UHFFFAOYSA-N 312.325 2.709 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2ccco2)cc2c1OCCO2 14139050 UJAMPYZXQBYMHF-SNVBAGLBSA-N 303.314 2.550 0 40 DFAB O=C(CN1CCSC1=O)Nc1ccc(N2CCCCC2)cc1 6830899 NUHRLPJGXGTZBA-UHFFFAOYSA-N 319.430 2.784 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1 5827183 VUHYSCDSOPSSAC-UHFFFAOYSA-N 301.371 2.981 0 40 DFAB CCc1nsc(Sc2nnc(-c3ccoc3C)n2C)n1 92584197 NMXYMDUFVGDZQJ-UHFFFAOYSA-N 307.404 2.949 0 40 DFAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)nnc1C(C)C 20034399 RTTIPDMAEACRHV-XQQFMLRXSA-N 322.478 2.818 0 40 DFAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H]1Cn1cccn1 71866396 ZOCNBTVQMUYWCR-LLVKDONJSA-N 307.756 2.980 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccc2c(c1)CCO2 71837434 YMQCBRHFQKRGLQ-SNVBAGLBSA-N 314.389 2.855 0 40 DFAB O=C(Cn1ncc2ccccc21)Nc1cc(C(=O)O)ccc1F 97036176 LGIYOYDZYYJMDL-UHFFFAOYSA-N 313.288 2.512 0 40 DFAB COc1cc([C@H](C)NCc2nnc(C3CC3)n2C)ccc1F 97033499 YZAYTNCRPXZXCD-JTQLQIEISA-N 304.369 2.691 0 40 DFAB CO[C@@H](C(=O)Nc1nc2c(s1)COCC2)c1ccccc1 75440676 UUYKATKLSKNDQA-CYBMUJFWSA-N 304.371 2.542 0 40 DFAB CC[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1O 89948606 ATHQUTRGQKOVQF-WFASDCNBSA-N 309.431 2.557 0 40 DFAB Cc1ncc(C(=O)NCCNc2nc3ccccc3s2)s1 84290578 FSJXUGRECLTCCF-UHFFFAOYSA-N 318.427 2.903 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 89917406 UHKBUHFSQKTTIH-BQJFBPGXSA-N 321.367 2.998 0 40 DFAB Cc1n[nH]c(C)c1CNC[C@@H](c1ccco1)N1CCCCC1 97159206 GFHQGCVHPQSRPA-INIZCTEOSA-N 302.422 2.936 0 40 DFAB C[C@](O)(CNC(=O)Cc1cccc(O)c1)c1ccccc1Cl 97143450 XFRLCEWDQPQFRC-KRWDZBQOSA-N 319.788 2.612 0 40 DFAB Cc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 97142828 UVJKFNOKBNDBJL-YUELXQCFSA-N 301.390 2.859 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccc3c(Cl)ccc(Cl)c3n2)CN1 97235925 DHVMCICHUSRMPC-ZETCQYMHSA-N 324.167 2.616 0 40 DFAB CO[C@H](CNC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 76066236 XPVZYFCCEHQBKP-ZIAGYGMSSA-N 312.797 2.506 0 40 DFAB C[C@@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)CC(C)(C)O1 95377500 HTWLTEHGJRRENU-CQSZACIVSA-N 306.450 2.935 0 40 DFAB COCCN(CCCc1ccccc1)C(=O)c1cscn1 78482751 ZRLOGWFVSBCXQC-UHFFFAOYSA-N 304.415 2.865 0 40 DFAB CC(C)N(CCNC(=O)N[C@@H](c1nccs1)C1CC1)C1CC1 95404591 BOBWABLQXHOMNR-CQSZACIVSA-N 322.478 2.766 0 40 DFAB Cn1c([C@@H]2CCCN(C(=O)C3(C)CCCC3)C2)n[nH]c1=S 78621874 NMOJYDSHLWZWAX-LLVKDONJSA-N 308.451 2.764 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@H](CO)c2ccccc2)CC1 95422546 ODBDTSDAIZKIKE-QGZVFWFLSA-N 318.461 2.737 0 40 DFAB CN(C)c1ncncc1NC(=O)[C@H]1SCCc2ccccc21 95427949 ZZNGHLLOXLDOQT-AWEZNQCLSA-N 314.414 2.512 0 40 DFAB CC(C)c1nn(C)c(Cl)c1C(=O)NCCCCCC(=O)O 95424985 NFBYCUAANADJGN-UHFFFAOYSA-N 315.801 2.572 0 40 DFAB CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 95946941 MQGMTEDPYKBOTB-KRWDZBQOSA-N 300.402 2.512 0 40 DFAB NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 95998932 VXTUCKPJMPSZOT-GFCCVEGCSA-N 304.325 2.872 0 40 DFAB CCN1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 74343949 BQXFIJWWNYUTAK-UHFFFAOYSA-N 311.429 2.824 0 40 DFAB CCS[C@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)C(C)C 89274767 NUHFYQMAZNVLHE-KBPBESRZSA-N 309.431 2.749 0 40 DFAB COc1ccc([C@@H]2[C@@H](COC(=O)c3ccon3)CCN2C)cc1 110616500 OPLHBQDOKFOVNN-CZUORRHYSA-N 316.357 2.533 0 40 DFAB C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccnc(NC(=O)C2CC2)c1 552023570 QUYQVIASHCHGOS-VXGBXAGGSA-N 315.417 2.985 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NCCOc1ccc(F)cc1 30863518 DBKVWZLTOVSPNS-AWEZNQCLSA-N 317.360 2.926 0 40 DFAB C[C@]1(C(=O)O)CC(c2ccc(Br)cc2F)=NO1 71981104 QYANCOVURORQSS-LLVKDONJSA-N 302.099 2.556 0 40 DFAB CC(C)(C)OC(=O)c1cc(I)ccc1N 39951635 QNUOGGUIWUBLJN-UHFFFAOYSA-N 319.142 2.829 0 40 DFAB O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1Cl 13262501 JICLMKADRMWUQD-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB CCn1nc(C)c(CNCCN2CCc3ccccc3C2)c1C 78552302 VFCAMYJHCQPSES-UHFFFAOYSA-N 312.461 2.668 0 40 DFAB CNC(=O)c1ccc(NC(=O)[C@@H](C)SC(F)(F)F)cc1 30719941 PKMYZNOQMTVZBZ-SSDOTTSWSA-N 306.309 2.626 0 40 DFAB CC(=O)Nc1cccc(Oc2nccnc2C2CCNCC2)c1 72361063 CRPPLAOWPBDQTA-UHFFFAOYSA-N 312.373 2.694 0 40 DFAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C(C)C 222756127 FBTOOXISKFOUQC-HNNXBMFYSA-N 304.434 2.832 0 40 DFAB Cc1ccc(CNC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)o1 226749408 USHLDLCUYLXSRX-QGZVFWFLSA-N 316.332 2.927 0 40 DFAB COCc1nnc(NC(=O)CCn2ccc3ccccc32)s1 40288105 BXGJHWOIYDMNMT-UHFFFAOYSA-N 316.386 2.668 0 40 DFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccccc1 222920486 RFVNAAZAPGRAKT-GOSISDBHSA-N 324.424 2.783 0 40 DFAB CN(C)CCC[Si]1(C)c2ccccc2CCc2ccccc21 195792118 PBEUPASHSWHGCN-UHFFFAOYSA-N 309.529 2.930 0 40 DFAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc2c(c1)OCCO2 225791672 ZUBORIIIWAGYMQ-UHFFFAOYSA-N 311.341 2.686 0 40 DFAB Cc1cccc(OC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 42486689 IPXDIKRZOPDBHU-UHFFFAOYSA-N 309.321 2.868 0 40 DFAB COc1cc(CNC(=O)c2cccnc2)ccc1OC(C)C 225430009 RNXGJBTWCQFNMV-UHFFFAOYSA-N 300.358 2.807 0 40 DFAB CSc1nnc(NS(=O)(=O)c2ccc(F)c(C)c2)s1 225610874 CMYWLANSEZLSNG-UHFFFAOYSA-N 319.408 2.508 0 40 DFAB CC(C)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCOCC1 195537492 ZZJGSCONYINTTA-ZDUSSCGKSA-N 323.412 2.773 0 40 DFAB C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccsc1 195542649 KDROWAVLZCYOMO-RISCZKNCSA-N 303.383 2.664 0 40 DFAB CC[C@](Br)([C@@H](O)c1ccc(C)cc1)S(C)(=O)=O 96521524 QVLVMBXOODNBIB-NWDGAFQWSA-N 321.236 2.574 0 40 DFAB Cc1ccc(CN2CCc3ncnc(N(C)C)c3CC2)s1 96187676 GQLALUDLOXWNAJ-UHFFFAOYSA-N 302.447 2.513 0 40 DFAB C[C@@H]1C[C@@H](OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)CC(C)(C)C1 95532662 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242538973 JKFJQZJSVJKVBH-LVFSCSRESA-N 322.493 2.948 0 40 DFAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 244021932 SPNIFMLWRILKSE-KGLIPLIRSA-N 318.417 2.741 0 40 DFAB c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccsc2)cn1 247925260 ATHXBAGJSTZQTI-ARFHVFGLSA-N 303.431 2.624 0 40 DFAB Cn1cncc1-c1nccnc1[C@@H]1CCCN(c2ccccn2)C1 257218676 DEBNZDIIFWRXBZ-CQSZACIVSA-N 320.400 2.656 0 40 DFAB O=c1cc(CNc2ccccc2-n2cccn2)nc2sccn12 47272879 IBBIEKKGTLRMLX-UHFFFAOYSA-N 323.381 2.554 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC(Oc2ccccc2)CC1 55763561 KTXIMQNTDUHZJW-UHFFFAOYSA-N 314.385 2.904 0 40 DFAB CCN(c1ccc2nnnn2n1)[C@H](C)c1cc2ccccc2o1 57140751 FHBXPNDMGRRHMT-LLVKDONJSA-N 308.345 2.853 0 40 DFAB O=C1CCCN1CCSc1ncccc1Br 71914329 IWXQCBVCDZSYOW-UHFFFAOYSA-N 301.209 2.559 0 40 DFAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](CO)C1 79122505 QKLCPAZLCZVMIS-ZZFFKQLHSA-N 306.450 2.617 0 40 DFAB O=C(CCc1ccsc1)N1CCC(O)(C(F)(F)F)CC1 89947625 LDEGVJMJJLZFPB-UHFFFAOYSA-N 307.337 2.597 0 40 DFAB 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DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1cccc(F)c1 8931716 HLOPCVINTVZHIK-UHFFFAOYSA-N 317.345 2.764 0 40 DFAB COc1ccc(/C=C2\SC(=O)N(CN3CCCC3)C2=O)cc1 13549706 WVMMCCMQUGPXPP-UVTDQMKNSA-N 318.398 2.785 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775965663 IRLAOBJCHFYYJI-OQHXTRMZSA-N 313.309 2.996 0 40 DFAB O=C(NCC1CCN([C@H]2CCSC2)CC1)c1ccsc1 225567041 XZDYMPFAGYYTIB-AWEZNQCLSA-N 310.488 2.695 0 40 DFAB O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccnc2)c1 96304508 CLFVCXPMUQJUFF-UHFFFAOYSA-N 312.350 2.600 0 40 DFAB COc1ccc(N[C@H](C)c2nc(C)no2)cc1N1CCCC1=O 30502329 DJQKSENIVOWART-SNVBAGLBSA-N 316.361 2.687 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)NC(=S)N1 100496305 UJJMRDQJSDNDIY-LBPRGKRZSA-N 310.444 2.740 0 40 DFAB Cc1ccsc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 11006451 HODKAXLXTSOEQN-GFCCVEGCSA-N 321.423 2.705 0 40 DFAB Cc1ccccc1CN1CCC(NC(=O)NCC2CC2)CC1 45459068 WRKMWUPRLCAEBJ-UHFFFAOYSA-N 301.434 2.669 0 40 DFAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccccn1 11280056 KHICIUNYXPSGNK-UHFFFAOYSA-N 313.357 2.969 0 40 DFAB COc1ccc(NC(=O)Nc2ccc(CCO)cc2)c(OC)c1 1738536 ZZLLMPILSZCGEU-UHFFFAOYSA-N 316.357 2.883 0 40 DFAB Cc1cc(C)nc(N(C#N)CC(=O)Nc2ccc(Cl)cc2)n1 181479 GLRXRISXPKOIFO-UHFFFAOYSA-N 315.764 2.673 0 40 DFAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(N)=O)c3ccccc3n2)o1 3455337 LAJXCJXSMWUSAE-LLVKDONJSA-N 324.336 2.834 0 40 DFAB COc1cc([C@@H](N)CC(=O)O)ccc1OCc1ccccc1 6005266 ZTBVHMNMNSGPKJ-AWEZNQCLSA-N 301.342 2.749 0 40 DFAB COc1ccc(CNCc2cc3cc(OC)ccc3[nH]c2=O)cc1 6493617 ANZWGMJWSSPVSA-UHFFFAOYSA-N 324.380 2.835 0 40 DFAB Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1C1CC1 32741783 FWIMWLKZNINBPR-UHFFFAOYSA-N 306.366 2.791 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)NC(=O)NC1CCCCC1 32942928 IMVQXCOOIGNEHG-NSHDSACASA-N 308.353 2.752 0 40 DFAB O=C1COc2cc(C(=O)Nc3cnc4ccccc4c3)ccc2N1 32900708 WJETZTLQJJYYEL-UHFFFAOYSA-N 319.320 2.818 0 40 DFAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 29512462 BECPATGIIJKHNR-UHFFFAOYSA-N 322.361 2.840 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc[n+]([O-])cc2)C2CC2)o1 41895015 PCHXOMUPSGKLGF-BLLLJJGKSA-N 312.369 2.841 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Sc1cc(C)ncn1 12016808 FGQDYZBWBPJSLQ-LLVKDONJSA-N 303.387 2.913 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2N(C)C1=O 12121871 CKUFMQHFZFUVAL-VIFPVBQESA-N 302.355 2.744 0 40 DFAB COC(=O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 23150216 PLOQQEBICVARQL-UHFFFAOYSA-N 307.733 2.893 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc2c1OCCO2 23305917 RLFVCFVVXDSROL-LLVKDONJSA-N 317.341 2.859 0 40 DFAB Cc1nnc([C@H](C)N2CCCN(Cc3ccccc3C)CC2)o1 68968322 CLJUXQZGQLPBAX-HNNXBMFYSA-N 314.433 2.955 0 40 DFAB COc1ccccc1NCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100607273 TZIABEVQBVEVRW-NEPJUHHUSA-N 320.776 2.582 0 40 DFAB Cc1oc(C)c(C(=O)N2CCN(Cc3cscn3)CC2)c1C 55438742 FIJPBVIRHVNBLV-UHFFFAOYSA-N 319.430 2.619 0 40 DFAB COc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)cn1 56827853 POIKLNJXCHNKDM-OAHLLOKOSA-N 303.406 2.954 0 40 DFAB O=C(O)[C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 35296556 MARJLWSAMPKWKH-SNVBAGLBSA-N 316.170 2.885 0 40 DFAB COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cc(C)nn1C 44971120 HUNGNTKHVDESQE-JTQLQIEISA-N 306.341 2.759 0 40 DFAB COC(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccsc2)n1 44978087 NGFQOXXOSKDIJX-AWEZNQCLSA-N 316.382 2.907 0 40 DFAB CCc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 10669318 VGMYBNFBMBPRTO-UHFFFAOYSA-N 301.415 2.668 0 40 DFAB Cc1ccsc1CNC(=O)NCc1cn2ccsc2n1 62005062 HTKWBARSCKSSHQ-UHFFFAOYSA-N 306.416 2.765 0 40 DFAB COC(=O)[C@@H](C)CN(C)Cc1csc(Cc2ccccc2)n1 48289709 KQFIYWMDFUQYEK-ZDUSSCGKSA-N 318.442 2.975 0 40 DFAB CCN(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 12789220 VEPNEPCOPWHYET-UHFFFAOYSA-N 317.410 2.752 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CO)c2)c1C 8279561 WGKAYKMJXMGGJO-UHFFFAOYSA-N 316.357 2.553 0 40 DFAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1CCC(=O)O 17029002 QQKGOIYRGRHVAU-UHFFFAOYSA-N 311.341 2.736 0 40 DFAB CN(C(=O)c1cccs1)C1CCN(c2ccccn2)CC1 69536910 BFBBMCGUTONPNE-UHFFFAOYSA-N 301.415 2.884 0 40 DFAB Cc1cc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)[nH]1 91765218 ZKIMQJBRBNZIAD-SWLSCSKDSA-N 320.339 2.858 0 40 DFAB Brc1ccccc1[C@@H]1CN(Cc2cnc[nH]2)CCO1 92592327 XSVHRMRYWQWPIC-AWEZNQCLSA-N 322.206 2.746 0 40 DFAB Cc1nc2n(c1C)CCN(Cc1nc(-c3ccccc3)no1)C2 65464725 ZFISUZUQAJHNDH-UHFFFAOYSA-N 309.373 2.566 0 40 DFAB CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCCc2ccccc21 69778543 KGLHFEZEXJQMBN-MRXNPFEDSA-N 323.458 2.641 0 40 DFAB Cn1c(SCCO)nc2scc(-c3cccs3)c2c1=O 14171170 CYLIIZTZZCRFQO-UHFFFAOYSA-N 324.452 2.808 0 40 DFAB CN(Cc1ccc(OC(F)F)cc1)c1ncnc2c1cnn2C 14213686 YAGCGPROCOLMTJ-UHFFFAOYSA-N 319.315 2.601 0 40 DFAB C[C@@H](NC(=O)CCn1cncn1)c1csc2ccccc12 69893628 PEDODQXFJLBXOK-LLVKDONJSA-N 300.387 2.760 0 40 DFAB COC(=O)c1cccc(O[C@H](C)C(=O)N(C)c2ccccc2)c1 14315990 LRFKIFDQKMDNRE-CYBMUJFWSA-N 313.353 2.904 0 40 DFAB CCCCCNC[C@H](O)COc1ccc(CCC(C)=O)cc1 6552508 FNAWTICLOINTMW-KRWDZBQOSA-N 307.434 2.728 0 40 DFAB C[C@H](C(=O)Nc1cccc(F)c1)n1cc(Br)cn1 28224068 AWJJVRHWWMUYIH-MRVPVSSYSA-N 312.142 2.984 0 40 DFAB CC(C)c1nc(C(=O)Nc2ccc3c(c2)OCCCO3)c[nH]1 69973260 LVPZAXPWSVQBAW-UHFFFAOYSA-N 301.346 2.947 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCCOc1ccccc1 69927298 FIMVAKBMPBNHFG-RTBURBONSA-N 316.445 2.931 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1F 15243672 LECNDKQZDRDQHL-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB CCOc1ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 9117782 IZEAXSSXGQPBEU-LLVKDONJSA-N 307.394 2.510 0 40 DFAB Cc1nc(CC(=O)OCc2cn3cccc(C)c3n2)cs1 71881732 VOKRITQPWBZADY-UHFFFAOYSA-N 301.371 2.694 0 40 DFAB Cc1ocnc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89763149 DCPDNTNZWPHFAW-CYBMUJFWSA-N 306.749 2.930 0 40 DFAB O=C(/C=C/c1ccncc1)N(Cc1cccnc1)C[C@@H]1CCCO1 71904012 UVNVYFOGJCNPAR-QWNKOJSDSA-N 323.396 2.698 0 40 DFAB O=C(Cc1cn2ccsc2n1)NC1(c2ccccc2F)CC1 89813377 PFJVRYVHGZDSKL-UHFFFAOYSA-N 315.373 2.883 0 40 DFAB O=C(OC[C@H]1CCCN(Cc2ccccc2)C1)c1ccnnc1 89834921 IPXYHYZPTLBUIR-INIZCTEOSA-N 311.385 2.546 0 40 DFAB Cc1nccc(NC(=O)N[C@H](CO)c2ccccc2)c1Cl 97096197 MPLMTIVGKCAWOD-CYBMUJFWSA-N 305.765 2.899 0 40 DFAB C[C@H]1CN(c2ncnc3ccsc23)CCN1c1nccs1 89939458 BOHFCVMANKENEA-JTQLQIEISA-N 317.443 2.863 0 40 DFAB Cc1nc2c(s1)[C@H](NC(=O)NCCc1ccccn1)CCC2 97235766 DFCBKZUQBDVKTG-CQSZACIVSA-N 316.430 2.766 0 40 DFAB CCCO[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1 95399452 VZTXISNWGVELIH-LBPRGKRZSA-N 305.344 2.836 0 40 DFAB CC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1OC 95405501 PSDHJDARRWDZRN-CQSZACIVSA-N 300.358 2.573 0 40 DFAB CCN(Cc1ccoc1)C(=O)c1cnc2nc(C)ccc2c1O 95449282 LNQPRTPSZNKPOA-UHFFFAOYSA-N 311.341 2.899 0 40 DFAB CCCNC(=O)CN[C@H](C)c1cc(Br)ccc1F 95419422 QXVWXNHNNVHOCE-SECBINFHSA-N 317.202 2.765 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccncc1 88562092 TXTSUNKAZHHAQK-KRWDZBQOSA-N 324.428 2.751 0 40 DFAB Cc1cccc([C@H](NCC(=O)NC2CCOCC2)C(C)(C)C)c1 95985702 JTYLDDVGJJBTIK-SFHVURJKSA-N 318.461 2.967 0 40 DFAB CCCNC1(Cc2cc(-c3ccc(OC)cc3)on2)COC1 67898362 YMLAUNPKYVVFOY-UHFFFAOYSA-N 302.374 2.661 0 40 DFAB biogenic,in-vitro CSc1cccc(N2C[C@@H](C(=O)NC(C)(C)C)CC2=O)c1 65403094 OOGISNDROLWXAQ-NSHDSACASA-N 306.431 2.676 0 40 DFAB COC(=O)COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 36391238 RBMVNDJAXNHLNX-UHFFFAOYSA-N 318.354 2.548 0 40 DFAB Cc1cccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 35622904 ITPUKCZTUMISDI-HOTGVXAUSA-N 319.449 2.594 0 40 DFAB O=C(NCCOc1ccc(F)cc1)c1ccc2nsnc2c1 36709840 LARGVEVIMRXDCG-UHFFFAOYSA-N 317.345 2.639 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 72385754 GKVGJXMVPZUNGW-GFCCVEGCSA-N 302.378 2.849 0 40 DFAB c1cc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)ccn1 72389913 RAKIMWOKFRORFN-HNNXBMFYSA-N 307.357 2.516 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241846 CSJXRXXHQHYOOM-ZBFHGGJFSA-N 306.381 2.604 0 40 DFAB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 226627613 YJDQQCHZOSGEJM-NWJSVONSSA-N 323.270 2.538 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CNC(=O)OC(C)(C)C 81425642 UDADMWPLCFNTHB-TZMCWYRMSA-N 321.421 2.780 0 40 DFAB CC[C@@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@@H](CC)O1 333532365 MJXCTROCGLCIBY-CHWSQXEVSA-N 321.421 2.652 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCSc3ncccc32)s1 96483551 UCGNTFABBUNPNU-UHFFFAOYSA-N 312.441 2.753 0 40 DFAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1ccco1)C2 96059852 JQRIPIPBGRXKSH-HNNXBMFYSA-N 301.390 2.539 0 40 DFAB Cc1ccc(N2CCC3(CC2)CO[C@H](COCC2CC2)C3)nn1 96105975 PNQYHVIEBZQZGB-INIZCTEOSA-N 317.433 2.587 0 40 DFAB O=C(NC1CCCC1)c1nnn(Cc2ccccc2)c1Cl 96183302 GEYMEJPIILPIBV-UHFFFAOYSA-N 304.781 2.652 0 40 DFAB Cc1cccc(CNC(=O)CNC(C)(C)c2nccs2)c1 96443386 ILMUBSOOXYGNLS-UHFFFAOYSA-N 303.431 2.593 0 40 DFAB Cc1cccc(NC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1 96448250 ZWUZYZITZABFLX-CYBMUJFWSA-N 318.446 2.636 0 40 DFAB CC(C)(C)OC(=O)N1CCn2nc(-c3ccccn3)cc2C1 98181637 INXGQAYJQJSFDY-UHFFFAOYSA-N 300.362 2.696 0 40 DFAB c1csc(CN2CCO[C@@H]3[C@@H](Cn4ccnc4)CC[C@H]32)c1 247831542 LOOWRQSBBHDMPO-FVQBIDKESA-N 303.431 2.624 0 40 DFAB Cc1nccc([C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 257280467 OLAGBWTWKPFIIU-INIZCTEOSA-N 311.385 2.893 0 40 DFAB Cc1ccn(CCC(=O)N2CCC[C@H](c3ncc(C)s3)C2)n1 257203146 AOWKBZDDHNTJEA-AWEZNQCLSA-N 318.446 2.753 0 40 DFAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1C(=O)O 257337125 YRMVJPLLZCMART-VWBVRBGYSA-N 320.341 2.723 0 40 DFAB COc1ccc([C@H](NC(=O)[C@H](C)c2cccs2)C(=O)O)cc1 262052014 AELJSANSPWAUCK-YGRLFVJLSA-N 319.382 2.802 0 40 DFAB CC(=O)c1ccc2c(c1)CCN(C(=O)c1ncoc1C1CC1)CC2 645912979 RYAMICVXTXNMDL-UHFFFAOYSA-N 324.380 2.996 0 40 DFAB CCOCCC(=O)N(C)Cc1cc(F)ccc1Br 390833811 NKYFIGAGQJYDKX-UHFFFAOYSA-N 318.186 2.973 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575405693 UDMYIHJJJFHEHL-AWEZNQCLSA-N 306.431 2.593 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2ccc(F)cn2)C1 585278640 UWUHKKXEFHYLAG-GOSISDBHSA-N 316.376 2.545 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NCCOc1ccccc1F 55855937 DKHRTLLNSFYNOO-UHFFFAOYSA-N 313.336 2.601 0 40 DFAB Cn1c(Cn2cccc(C(F)(F)F)c2=O)nc2ccccc21 58197467 CGYNUJQFLGEWNJ-UHFFFAOYSA-N 307.275 2.802 0 40 DFAB CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1 301695248 PJPGQYHYCJSZDM-UHFFFAOYSA-N 312.439 2.719 0 40 DFAB O=C(O)[C@@H](CC(=O)N1C[C@H]2CCCC[C@@H]2C1)Cc1ccccc1 11616580 WPGGHFDDFPHPOB-BRWVUGGUSA-N 315.413 2.969 0 40 DFAB world COc1cc2c(cc1O)CCN1C[C@@H](CC(C)C)[C@@H](O)C[C@@H]21 169607809 NNGHNWCGIHBKHE-KBMXLJTQSA-N 305.418 2.727 0 40 DFAB Cc1cc(F)cc(S(=O)(=O)N(C)Cc2ccccc2N)c1 158493002 OKPUTEXGPAELOX-UHFFFAOYSA-N 308.378 2.537 0 40 DFAB O=C(NCCc1ccccc1F)c1cccnc1N1CCCC1 27379691 QUOIIEYCYZSWOU-UHFFFAOYSA-N 313.376 2.793 0 40 DFAB CC(=O)N[C@H](CC(=O)N1CCCCC1)c1ccc(Cl)cc1 29651475 WUJMCIGUPKIENG-OAHLLOKOSA-N 308.809 2.920 0 40 DFAB Cc1ccc(C(=O)c2ccc(CC(=O)N3CCCC3)n2C)cc1 1177237124 XJFFMNHQFPTRJJ-UHFFFAOYSA-N 310.397 2.729 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 17135470 RDCHHYIWACXPJF-UHFFFAOYSA-N 310.353 2.897 0 40 DFAB Cc1cccc2nc(CSC(=S)NC[C@@H]3CCCO3)cn12 4137148 NXGVATLSQXIBJS-ZDUSSCGKSA-N 321.471 2.929 0 40 DFAB CC1CCC(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 40089905 IJHPDMRNWBMLGA-PCKAHOCUSA-N 321.465 2.609 0 40 DFAB CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 89294 SNQMYVHDYDPQJS-IBGZPJMESA-N 309.365 2.904 0 40 DFAB CN(Cc1noc(C(C)(C)C)n1)C[C@H]1COc2ccccc2O1 46056276 IYFRETHYAGGIOD-LBPRGKRZSA-N 317.389 2.639 0 40 DFAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)Nc1ccccc1 69813015 NJQPRPMZNZLBKI-GTJPDFRWSA-N 306.387 2.567 0 40 DFAB CC(C)Sc1nncc(-c2cnnc(SC(C)C)n2)n1 381718 USVNJNBODYXIAS-UHFFFAOYSA-N 308.436 2.725 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2sccc12 2618708 AXBQLPDOPHSERH-CMPLNLGQSA-N 305.403 2.765 0 40 DFAB Cc1cc(CS(=O)(=O)Cc2cc(-c3ccccc3)no2)no1 32929884 GWXQYEUIOVJPNL-UHFFFAOYSA-N 318.354 2.753 0 40 DFAB CCn1c(O)c(C(=O)Nc2ccc(C)cn2)c(=O)c2ccccc21 6520092 FHZTVTRXDNLSSD-UHFFFAOYSA-N 323.352 2.683 0 40 DFAB C[C@@H](NC(=O)Cc1ccccc1F)c1nnc2n1CCCCC2 29901641 XUJVHTINJYMBKA-GFCCVEGCSA-N 316.380 2.564 0 40 DFAB NC(=O)c1cc(NC(=O)CSC(F)(F)F)ccc1Cl 33167009 ZHKDGZXMUADYDE-UHFFFAOYSA-N 312.700 2.630 0 40 DFAB C[C@H](NC(=O)c1ccsc1)c1ccc2c(c1)NC(=O)CO2 33174605 JHIWGRIJOLDRRR-VIFPVBQESA-N 302.355 2.570 0 40 DFAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2)cc1 10567313 ZWWLKZWGNMSRCO-CQSZACIVSA-N 315.369 2.658 0 40 DFAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc2ncsc2c1 47343322 YPKXVTGYAWZHBZ-UHFFFAOYSA-N 322.353 2.729 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 100255335 XWKDFGTZUGEMJE-ROUUACIJSA-N 315.369 2.950 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCC1(c2ccccc2)CC1 76021030 FNQHKHJIYPIDBE-XHSDSOJGSA-N 314.429 2.831 0 40 DFAB O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1nccs1 42754911 KRWPXJXZGRJTPF-UHFFFAOYSA-N 316.386 2.592 0 40 DFAB CCc1nc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cs1 23903756 OBJJZAFYZVYRIZ-UHFFFAOYSA-N 314.414 2.574 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccnn2C)s1 76084749 FBOMSSQYMOMJFQ-NSHDSACASA-N 321.450 2.650 0 40 DFAB COc1ccnc(CS(=O)(=O)Cc2ccccc2Cl)c1 106933098 YLEIJKKGDFSFSO-UHFFFAOYSA-N 311.790 2.859 0 40 DFAB Cn1cnc(C(=O)NCCc2nc(C3CCCCC3)cs2)c1 178729533 VPLFZCPQAIILQS-UHFFFAOYSA-N 318.446 2.897 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2nnc(C)s2)cc1OC 44972096 ASLHXAZOZSJYNB-QMMMGPOBSA-N 322.390 2.746 0 40 DFAB COc1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1OC 44976565 XLKYJXUXOONUQM-QMMMGPOBSA-N 308.769 2.903 0 40 DFAB COc1cccc(C(=O)N(C2CC2)C2Cc3ccccc3C2)n1 84095939 WHYOZNGEPVMRLW-UHFFFAOYSA-N 308.381 2.862 0 40 DFAB CCn1c(=O)n(CCC(=O)Nc2cccc(C)n2)c2ccccc21 58358270 TZGLBKLVAJSYHE-UHFFFAOYSA-N 324.384 2.555 0 40 DFAB CCc1ccccc1OCC(=O)N1CCC(n2ccnc2)CC1 58332861 HINDZRHGGNXIKB-UHFFFAOYSA-N 313.401 2.688 0 40 DFAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cccs1 20152344 ZSIHKFXVNQHMEQ-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(F)c1 3333473 UNIQCCFOFSFICS-UHFFFAOYSA-N 301.317 2.569 0 40 DFAB COC(=O)C1(NC(=O)/C=C/c2ccc(F)cc2)CCCCC1 12818623 GLSNNBGAIJRTJZ-JXMROGBWSA-N 305.349 2.831 0 40 DFAB O=C(Nc1cccnc1)C1CCN(C(=O)Nc2ccccc2)CC1 13097474 RKWUJXYQISOUQK-UHFFFAOYSA-N 324.384 2.964 0 40 DFAB CCc1cccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 13042408 QMEFDKSKEOERQY-GFCCVEGCSA-N 311.385 2.787 0 40 DFAB Cc1nc(CC(=O)Nc2ccc3c(c2)OCCCO3)cs1 24858359 QVXLXYAESXMAEK-UHFFFAOYSA-N 304.371 2.794 0 40 DFAB COc1ccc(CC[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1 13309247 TYFJTEPDESMEHE-OAHLLOKOSA-N 314.337 2.821 0 40 DFAB biogenic COc1cc(F)cc(CNC(=O)Nc2cnc(C3CC3)nc2)c1 92758892 TWDNKSHJBPBWTK-UHFFFAOYSA-N 316.336 2.823 0 40 DFAB CN(CC1OCCO1)c1ncnc2c1[nH]c1ccc(Cl)cc12 5091697 WLEYUIMBZMBLQS-UHFFFAOYSA-N 318.764 2.574 0 40 DFAB COc1cc(C)ccc1OCc1cc(=O)n2ccc(C)cc2n1 8944558 YUJCARIBYVYGSC-UHFFFAOYSA-N 310.353 2.899 0 40 DFAB COc1ccc(N(C(=O)c2cccc[n+]2[O-])[C@H](C)C2CC2)cc1 65515794 SAWICEDDKLTUAM-CYBMUJFWSA-N 312.369 2.774 0 40 DFAB CCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 65622718 MYFBXNJVYDQMAJ-LBPRGKRZSA-N 324.371 2.685 0 40 DFAB CCN(CC)C[C@H](O)COC(=O)CC12CC3CC(CC(C3)C1)C2 4785876 CUUAMWMUNOQDGQ-WCWCZOKXSA-N 323.477 2.839 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C 5601971 ATYYHPHCRVTQLD-UHFFFAOYSA-N 318.354 2.539 0 40 DFAB Fc1ccc(-c2nnc3n2C[C@H](NCc2cccnc2)CC3)cc1 96002608 AIMXEEAWNVFDQD-MRXNPFEDSA-N 323.375 2.584 0 40 DFAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCc2ccccc2C1 7307933 GMDNBBYFFMYYJJ-UHFFFAOYSA-N 313.422 2.922 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 7539474 QLKHLAKIQSNEOQ-SNVBAGLBSA-N 320.824 2.980 0 40 DFAB O[C@@H](CN[C@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 69161139 PSGVZNLZNKLBRG-GJZGRUSLSA-N 313.353 2.562 0 40 DFAB O=C(NCc1ccccc1)[C@@H](Sc1ncn[nH]1)c1ccccc1 8328950 BQODOKDXVQAEOJ-HNNXBMFYSA-N 324.409 2.955 0 40 DFAB O=c1c2ccc(F)cc2ncn1CCOc1ccc(F)cc1 8485680 CAKLISWFAOKZSU-UHFFFAOYSA-N 302.280 2.754 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 97002850 SIQVWVUDDJNOSQ-LBPRGKRZSA-N 300.358 2.885 0 40 DFAB COc1ccc([C@@H](C)NCC2(CO)CC2)c(Br)c1 97034614 NNCQMAIOVGYXLD-SNVBAGLBSA-N 314.223 2.881 0 40 DFAB Cc1ccc(OC2CCN([C@@H](C)c3nnc(C)o3)CC2)nc1 97083975 ULQQZGOIFJOCGI-LBPRGKRZSA-N 302.378 2.686 0 40 DFAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCCSC(C)(C)C 97049304 HKYKULWOITWHCS-QWHCGFSZSA-N 302.484 2.711 0 40 DFAB Cc1nc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)oc1C 72299989 ALYDSULEXGETFO-ZDUSSCGKSA-N 302.378 2.931 0 40 DFAB COc1cc(OC)c(NC(=O)CCc2ccccn2)cc1F 87401370 UAIKRGKVMRBSPU-UHFFFAOYSA-N 304.321 2.809 0 40 DFAB C[C@]1(CCc2ccccc2)CCN(C(=O)CCn2cncn2)C1 79050572 MIXDSVJHKVEFPE-SFHVURJKSA-N 312.417 2.540 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@]1(C)CCCO1 97147384 XUAVITPDEDDSGT-SJCJKPOMSA-N 322.453 2.876 0 40 DFAB Cc1cccnc1NC(=O)[C@H]1CCCN(C[C@@H]2CCCCO2)C1 79014062 SDANKROTULYTQA-HOTGVXAUSA-N 317.433 2.610 0 40 DFAB C[C@@H](Cn1cncn1)N[C@H](C)c1ccc(Br)s1 95421155 WNPUIYUQQPQYSA-DTWKUNHWSA-N 315.240 2.841 0 40 DFAB COc1cc(NC(=O)CN2CC=CCC2)c(OC)cc1Cl 95466150 HMBOZASPQWMXMQ-UHFFFAOYSA-N 310.781 2.558 0 40 DFAB CC1(C)C[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C(C)(C)O1 95423916 FXEQOBIIXZZLOA-CABCVRRESA-N 308.466 2.713 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCSCC2)cc1C 95979701 GYSYAUQRZOYPRB-GFCCVEGCSA-N 306.431 2.573 0 40 DFAB CCOc1cc(C)ccc1NC(=O)[C@@H](CC)N1CCCC1=O 95990725 ZJXVRQHMEASHTJ-CQSZACIVSA-N 304.390 2.733 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1 75119319 FQAWIFKAFJMSFY-UWVGGRQHSA-N 302.296 2.534 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)CN(C)C)c(C)c1 75109996 BQXBXRCULCEGFB-CQSZACIVSA-N 312.479 2.558 0 40 DFAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12 89901177 LVIDVILDFMXVIG-ZDUSSCGKSA-N 318.421 2.679 0 40 DFAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1cccc(F)c1 36635737 XSBIXSGGDVYBIX-CQSZACIVSA-N 302.280 2.709 0 40 DFAB CCN(Cc1c(CO)cnc(C)c1O)c1nc2ccccc2o1 521395269 NTVPEVPCZFKWBY-UHFFFAOYSA-N 313.357 2.756 0 40 DFAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1C 35670796 YXYYXJRTQXJWKD-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB COC(=O)/C=C\c1c(I)ccnc1Cl 77020714 PFURSIHBCIIRFW-IHWYPQMZSA-N 323.517 2.526 0 40 DFAB Cc1ccc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 72203474 BINQISICTJHORN-ZDUSSCGKSA-N 307.394 2.811 0 40 DFAB Cn1cc(CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 79192011 VBPKMTIOEITBED-CQSZACIVSA-N 300.402 2.795 0 40 DFAB biogenic CC1=CC[C@@H]2CN(C(=O)c3nc(O)nc4ccccc34)C[C@@H]2C1 71762752 RYOBOXVRJIUGPN-OLZOCXBDSA-N 309.369 2.764 0 40 DFAB Cc1ccc(CS(=O)(=O)NCCOc2cccc(C)c2)cc1 224170173 GUANQRDWGLPDCK-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB COc1ccccc1CNC(=O)c1cc(-c2cccnc2)on1 41460885 DDJVGCDNTODENB-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB C1CC[C@H](OCCN2CCC(c3noc(C4CC4)n3)CC2)OC1 225532098 UEBMMJSCSVZQGX-HNNXBMFYSA-N 321.421 2.670 0 40 DFAB COc1ccnc(CSCCOC[C@@H]2CCCO2)c1OC 530387921 RNLATWGAKRFPTQ-LBPRGKRZSA-N 313.419 2.528 0 40 DFAB COc1ccc(Br)cc1C(=O)c1ccncc1N 199712362 VCQSTROZQXRADB-UHFFFAOYSA-N 307.147 2.666 0 40 DFAB Cc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225141091 CLLWYTOIPLEKIQ-IBGZPJMESA-N 324.424 2.813 0 40 DFAB COCCCN(C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 190726154 GORVJCWHABBITJ-ZDUSSCGKSA-N 311.451 2.719 0 40 DFAB CCN1CCN(Cc2cc(F)cc(Br)c2)CC1 93938588 MEWLKJIEKDINBV-UHFFFAOYSA-N 301.203 2.726 0 40 DFAB CO[C@H]1CCN(c2nnc(C)s2)C[C@@H]1Cc1ccccc1 96110494 LBMBPEYAMKNWBI-GJZGRUSLSA-N 303.431 2.931 0 40 DFAB CC(C)c1cc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)n[nH]1 96423872 UUMQRDNLTPJNSS-UHFFFAOYSA-N 316.390 2.642 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257279124 OFCWULGGUOHGPH-KRWDZBQOSA-N 321.384 2.947 0 40 DFAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2ccsc2)n1 257286872 PNKOWUILGXRROE-OAHLLOKOSA-N 302.447 2.937 0 40 DFAB Cc1nc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nc2c1CCC2 250960322 OVORTMJRIRYZHL-HUBLWGQQSA-N 317.458 2.671 0 40 DFAB Cc1cccnc1N(C)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 279328088 DWKYXJFWMAWIRK-CABCVRRESA-N 324.380 2.928 0 40 DFAB Cc1nnsc1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 42379366 LNJJCYMBBQHSFB-UHFFFAOYSA-N 323.447 2.797 0 40 DFAB O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)Cc2ccco2)C1 575420389 HFJKZTWKUMYHHH-HNNXBMFYSA-N 323.389 2.608 0 40 DFAB CC[C@H](C)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103547 DIMFENARPZFDBJ-KSSFIOAISA-N 320.408 2.680 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2sc(C)nc2C)no1 56214810 JJBOBLXFWIHRLQ-WPRPVWTQSA-N 308.407 2.734 0 40 DFAB C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc2c(c1)OCO2 59893491 WMLLSHLBGJKCQP-NSHDSACASA-N 318.398 2.907 0 40 DFAB Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc2nncn2c1 69615372 UWGRFWMXRKZQHF-AWEZNQCLSA-N 324.384 2.543 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N1CCCC[C@H]1C1OCCO1 69656353 SRUWRQURFMITPZ-PPYMECGQSA-N 305.349 2.593 0 40 DFAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccn(C)c(=O)c1 40496680 GZZCJCWIGFNUBY-UHFFFAOYSA-N 310.806 2.763 0 40 DFAB O=C(c1ccncc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 96203121 LULVLQHICIGSMG-HXUWFJFHSA-N 321.424 2.820 0 40 DFAB CCS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101273773 JFCJURXPELTGLK-JTQLQIEISA-N 314.204 2.834 0 40 DFAB O=C1CCC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 5603212 IETLIBMCSNSIRC-JXFKEZNVSA-N 321.376 2.790 0 40 DFAB CCOc1cc(S(=O)(=O)NC(C)(C)C)c(OCC)cc1C 11614010 XIPZGOHYVUWEAO-UHFFFAOYSA-N 315.435 2.869 0 40 DFAB COc1ccc(CN(Cc2cncn2C)C[C@@H]2CCCO2)cc1 12147106 FTHYTIZNUOOCRA-SFHVURJKSA-N 315.417 2.610 0 40 DFAB CN(C)Cc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1 12147138 BYCKWOPIWFDPPA-UHFFFAOYSA-N 312.461 2.982 0 40 DFAB O[C@H]1CCCN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)C1 12668218 OCNRVMCDQJJKCE-HNNXBMFYSA-N 322.368 2.760 0 40 DFAB Cc1cc(C)c2nc3s/c(=C\c4ccc(O)cc4)c(=O)n3c2c1 17299757 IRTJKUOARLJBBF-DHDCSXOGSA-N 322.389 2.779 0 40 DFAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 169303664 ASIICBLSIDAYNC-LZDSYCOUSA-N 323.348 2.673 0 40 DFAB Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccccc1 489356 JUXQOGJQEABVLH-UHFFFAOYSA-N 309.321 2.633 0 40 DFAB biogenic CC[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 8280153 ROPQKFFATFXNBU-CYBMUJFWSA-N 321.380 2.847 0 40 DFAB FC(F)(F)c1ccc(N[C@@H]2CCN(C3CCOCC3)C2)nc1 1889057390 XZLHZGTYPHAHNS-GFCCVEGCSA-N 315.339 2.766 0 40 DFAB Cc1cnccc1OCC1CCN(c2ccn3nccc3n2)CC1 2086866233 UPCCDFYSDCCQRH-UHFFFAOYSA-N 323.400 2.728 0 40 DFAB O=C(NC[C@@]1(O)C=CCCC1)c1ccc(OC(F)(F)F)cc1 606440868 XUBDEKPTDDNQTC-CQSZACIVSA-N 315.291 2.786 0 40 DFAB Cc1cc(C)nc(NC(=O)c2cnc3ccc(F)cc3c2O)n1 13722643 KMFIIEVTTDHAHS-UHFFFAOYSA-N 312.304 2.739 0 40 DFAB COc1cc(C(=O)N2CCCC2)ccc1OCc1cscn1 40497866 OROZJOKAYBOORJ-UHFFFAOYSA-N 318.398 2.967 0 40 DFAB COc1cc(NC(=O)[C@@H](C)OCC(F)(F)F)cc(OC)c1 31674688 BPICOSDGFKVNGU-MRVPVSSYSA-N 307.268 2.610 0 40 DFAB CC[C@@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 31684397 MQVCLJWJLQGKFR-CYBMUJFWSA-N 313.401 2.504 0 40 DFAB Cc1cc(NC(=O)CNc2c(F)cccc2N2CCCC2)no1 69777717 QLYQSKOQHXVCFW-UHFFFAOYSA-N 318.352 2.773 0 40 DFAB COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C 75167 HZJJGXXQORGFCQ-UHFFFAOYSA-N 320.370 2.564 0 40 DFAB Cn1ncnc1CN(CCc1ccccc1)c1ccc(O)cc1 84088349 SQJWLROPUOAPEA-UHFFFAOYSA-N 308.385 2.770 0 40 DFAB Cn1ncc2ccc(-c3[nH]c(C=O)nc3Br)cc21 1857794735 IMWDBSXIDUKCLO-UHFFFAOYSA-N 305.135 2.538 0 40 DFAB COc1ccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 515944 SVLBIZSRJKCFHO-UHFFFAOYSA-N 313.309 2.879 0 40 DFAB COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1 559542 VVPWNIVDPAXKOD-UHFFFAOYSA-N 301.342 2.654 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1 816326 MNNISGGALVRDEF-CYBMUJFWSA-N 317.385 2.506 0 40 DFAB CCN(CC)[C@@H](CNc1ncnc2nc[nH]c12)c1ccccc1 41025878 IOZJSMJRJOWVPZ-AWEZNQCLSA-N 310.405 2.848 0 40 DFAB Cc1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)O 2168804 PMWSHQYEXQSZEJ-UHFFFAOYSA-O 320.843 2.819 0 40 DFAB COC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 71853636 GMOYVBRAYHLTRX-LLVKDONJSA-N 305.277 2.609 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1cnc2sccc2c1=O 7086331 VXWKSZKRAZNXTF-LLVKDONJSA-N 307.419 2.543 0 40 DFAB Cc1noc(C)c1CSc1nc2sccc2c(=O)n1C 7736347 DQYYLJCYKDQCJK-UHFFFAOYSA-N 307.400 2.892 0 40 DFAB O=C(C1CC=CC1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108535841 UTOPKEROCSMYKO-UHFFFAOYSA-N 312.417 2.626 0 40 DFAB CCc1nc(CC)n(C[C@@H](O)c2ccc(Br)cc2)n1 92197817 RBPUJPGNKVURSU-GFCCVEGCSA-N 324.222 2.899 0 40 DFAB CCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 557358 ABVXYRMXCWNPSN-UHFFFAOYSA-N 323.356 2.524 0 40 DFAB CC(C)(C)c1nc2c3cnn(-c4ccc(F)cc4)c3ncn2n1 537008 GSMGMEJVVHECFU-UHFFFAOYSA-N 310.336 2.900 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(OC(F)(F)F)c1 103527200 GYUGWOOKZQZFLG-WTTBSCSTSA-N 323.270 2.897 0 40 DFAB COC(=O)N1N(C(=O)OC)[C@]2(C)C(C)=C(C)[C@]1(C)C(=O)C2(C)C 100807000 TWWILAZVEPTKMR-HZPDHXFCSA-N 324.377 2.515 0 40 DFAB C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@H]1C 179812895 RSIBAYLKHFEOFI-QWRGUYRKSA-N 303.362 2.670 0 40 DFAB CCCc1noc(CN2CCN(c3cc(C)ccc3C)CC2)n1 55343359 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Cc1nc(/C=C/C(=O)NCc2ccccc2-n2cccn2)cs1 58283265 RFBMTYWGLMNXEZ-BQYQJAHWSA-N 324.409 2.967 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 28210919 NJBZESMFMUTYCE-UHFFFAOYSA-N 315.291 2.519 0 40 DFAB Cc1ccc(CNC(=O)NCCc2nc3ccccc3[nH]2)cc1 10356601 RFBMZQORFVJSRA-UHFFFAOYSA-N 308.385 2.913 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)CC(C)C 48289868 NUWPVOFAVNARKS-SNVBAGLBSA-N 319.448 2.590 0 40 DFAB Cc1cccc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 58344511 WIHUSNCJZYPQBS-UHFFFAOYSA-N 310.332 2.849 0 40 DFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1F 3357517 DHWWJVFTMUSSMB-INIZCTEOSA-N 315.344 2.521 0 40 DFAB O=C1O[C@H](C(=O)N(Cc2ccco2)C2CC2)Cc2ccccc21 29011450 DZKXPFAVYNJYBT-INIZCTEOSA-N 311.337 2.552 0 40 DFAB CCOc1cc(F)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 48383539 SDCBULDXAHPAPW-RYUDHWBXSA-N 307.321 2.830 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)NCCc1ccc(C(=O)O)cc1 13443073 QCEWEBVABNWFQC-ZDUSSCGKSA-N 313.353 2.511 0 40 DFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1O 8986732 LBTKVRQCONCCMS-UHFFFAOYSA-N 319.744 2.998 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 5235886 ZXMMOLLPJRSPHA-LBPRGKRZSA-N 315.398 2.911 0 40 DFAB COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1Cl 65543020 XSCLQBGMOOGXQZ-GFCCVEGCSA-N 311.813 2.572 0 40 DFAB COC(=O)c1cccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c1 14315989 LRFKIFDQKMDNRE-ZDUSSCGKSA-N 313.353 2.904 0 40 DFAB CCn1nc(C)cc1C(=O)NCCc1ccc(C)c(OC)c1 96420560 ISSHGCWSFDEOCJ-UHFFFAOYSA-N 301.390 2.501 0 40 DFAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)on1 66687433 YWHGWJANROMODX-CQSZACIVSA-N 324.739 2.989 0 40 DFAB COc1ccc2c(CC(=O)Nc3c(C)nn(C)c3C)coc2c1 6880186 ZCEXFDXTPBECPO-UHFFFAOYSA-N 313.357 2.973 0 40 DFAB C[C@H](O)[C@H]1CCN(C(=O)Nc2cccnc2-c2ccco2)C1 96010631 LLOHPDASUVCGJP-RYUDHWBXSA-N 301.346 2.576 0 40 DFAB O=C(c1cc(Cl)[nH]c(=O)c1)N1CCCc2cc(F)ccc21 96006694 BXORUTDQVXBPRT-UHFFFAOYSA-N 306.724 2.760 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4977017 RPCCBRUFBWOYIQ-CQSZACIVSA-N 302.418 2.961 0 40 DFAB Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1 67298422 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O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 69583693 HIQVATGTNSODEE-OAHLLOKOSA-N 319.380 2.738 0 40 DFAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1C[C@H]1c1ccco1 96999602 ISULCYLBCKXHNC-CVEARBPZSA-N 324.380 2.826 0 40 DFAB C[C@@H](NCc1nnc(C2CC2)n1C)c1cccc(-n2cccn2)c1 97033492 OHOWWRSCNMYHER-CYBMUJFWSA-N 322.416 2.729 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2cnn(C)c2C)n1 72273779 KGKWXPCLTPRFJS-ZDUSSCGKSA-N 304.419 2.861 0 40 DFAB CCCn1nc(C)c(CNc2ccc3c(c2)OCC(=O)N3)c1C 97113778 HUZYBLCDKRQOAW-UHFFFAOYSA-N 314.389 2.853 0 40 DFAB CC(=O)Nc1cccc([C@H]2CC(c3ccco3)=NN2C(C)=O)c1 97165239 SCHUKODFRNFNEH-MRXNPFEDSA-N 311.341 2.936 0 40 DFAB CCN(C)C[C@@H]1CCN(c2nc3cc(C)nn3c3ccccc23)C1 72302153 WCNAAYJHBIVUPG-HNNXBMFYSA-N 323.444 2.969 0 40 DFAB O=C(Cn1ccccc1=O)Nc1cccc(Oc2ccccn2)c1 72303813 OQVJGDLZVOOUJK-UHFFFAOYSA-N 321.336 2.674 0 40 DFAB O=C(Nc1nc(-c2cccnc2)cs1)NC1(CCO)CCC1 72312964 UVDVXUSDKDDDRJ-UHFFFAOYSA-N 318.402 2.632 0 40 DFAB CC(C)(C)CC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2CO)CC1 97228452 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COC(=O)Nc1nc(CC(=O)N[C@H](C)c2ccccc2)cs1 12440343 DYWNUVWJAWMFJX-SNVBAGLBSA-N 319.386 2.741 0 40 DFAB O=C1CCCN1CCc1nc(-c2ccc3c(c2)OCO3)cs1 30447813 GMFNGZVNWWOKDO-UHFFFAOYSA-N 316.382 2.704 0 40 DFAB O=C(O)Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 54534 KSZMKDQVOYRGMB-UHFFFAOYSA-N 323.304 2.672 0 40 DFAB Cc1noc(C)c1CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 40494091 WHPSOSVLUDEVDK-LBPRGKRZSA-N 322.430 2.888 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]2C=C[C@H]1C2 100794320 JEAQYVYCQICVNY-YDHLFZDLSA-N 316.376 2.813 0 40 DFAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl 222654 QYCKJWWNWDUCKY-ZDUSSCGKSA-N 318.764 2.784 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1 32764878 FCKXQAFDFWLFOL-CMDGGOBGSA-N 300.314 2.516 0 40 DFAB Cc1nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1-c1ccc(F)cc1 32841507 NSYIIHGMALBCIM-VXGBXAGGSA-N 316.380 2.833 0 40 DFAB Cc1cccc(OCCN(C)[C@@H](C)C(=O)NC2CCCC2)c1 21672906 IOZSWWKZLHSQNM-HNNXBMFYSA-N 304.434 2.753 0 40 DFAB CNC(=O)[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 33211985 BVEPINURXNFSSL-CYBMUJFWSA-N 320.458 2.758 0 40 DFAB O=C(CCOc1ccccc1)NC[C@@H]1OCCc2ccccc21 82479 WZBWUIFEAHXMCS-SFHVURJKSA-N 311.381 2.886 0 40 DFAB CCNc1nc(NC(C)C)nc(N(C#N)Cc2ccccc2)n1 181413 ZIZBYLAFDVCMBO-UHFFFAOYSA-N 311.393 2.611 0 40 DFAB Cc1ccccc1NC(=O)CSc1ncccc1C(=O)O 415165 CDOBJZFNUOFLPB-UHFFFAOYSA-N 302.355 2.819 0 40 DFAB Cc1noc(C)c1Cc1nn2c(-c3ccco3)nnc2s1 71279337 ZVEJYGJVCZBSCX-UHFFFAOYSA-N 301.331 2.641 0 40 DFAB CO[C@H](CNc1cc(C(N)=O)ccn1)c1ccc(Cl)cc1 78381562 DLDDNWNYTCWLLA-CYBMUJFWSA-N 305.765 2.634 0 40 DFAB CCc1ccccc1NC(=O)[C@H]1CCCN(c2ncccn2)C1 1329852 JLOFCEWZFXCFQW-HNNXBMFYSA-N 310.401 2.894 0 40 DFAB Cc1nccn1Cc1ccc(NC(=O)NCc2ccn(C)c2)cc1 78993462 DPOJGVYLEGAGAF-UHFFFAOYSA-N 323.400 2.900 0 40 DFAB O=C(CSc1ccncc1)N1CCOc2ccc(F)cc21 79071583 IWIDLOPQOBPENW-UHFFFAOYSA-N 304.346 2.738 0 40 DFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2o1 1509403 BDHNTUYTDGTMJA-UHFFFAOYSA-N 324.745 2.575 0 40 DFAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 106517985 KGAXPONENXRVAD-WVZRYYJFSA-N 319.401 2.679 0 40 DFAB O=C(COC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 7896719 LGXABYPTLUDIQP-UHFFFAOYSA-N 322.364 2.684 0 40 DFAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cccnc1Cl 35099236 GPDWPGVPLYKQNA-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccccc1 43827846 AUGXSSQEAWZBJA-UHFFFAOYSA-N 310.357 2.757 0 40 DFAB O=C(NCCc1n[nH]c(-c2ccccc2)n1)c1cccc(F)c1 35509154 AUOZDSMMSVJFJI-UHFFFAOYSA-N 310.332 2.583 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)C1(c2ccc(F)cc2)CC1 44367136 GMLRWZGVSSULOL-UHFFFAOYSA-N 302.393 2.600 0 40 DFAB NCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 3267972 MOYDKBWTSRYHNF-UXBLZVDNSA-N 317.197 2.988 0 40 DFAB CSc1ccccc1NC(=O)CSc1nnc(N)s1 3237673 FYWMHEJMILGICP-UHFFFAOYSA-N 312.445 2.573 0 40 DFAB COC(=O)[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 27561459 WGOQFXDCPDPZLN-AWEZNQCLSA-N 300.358 2.869 0 40 DFAB Cc1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)cc1Cl 12698377 QJNSOVMXWHPEBS-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB CCOC(=O)C1(NC(=O)c2ccc3c(c2)CCO3)CCCCC1 58217769 WQNRHSVGAZNXTK-UHFFFAOYSA-N 317.385 2.617 0 40 DFAB CC(C)(C)n1ncc(NC[C@H](O)c2ccccc2)c(Cl)c1=O 58231807 LNYPJERZNYYUFB-ZDUSSCGKSA-N 321.808 2.797 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccncc2)n1 48136062 FLGOSODNIWZAIV-CQSZACIVSA-N 314.389 2.884 0 40 DFAB COc1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cn1 21987507 ADECQYTURGAKRL-UHFFFAOYSA-N 308.341 2.805 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)c1cccc(F)c1 48261964 FMIWGWGHLSOSPI-CQSZACIVSA-N 318.279 2.515 0 40 DFAB COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@]6(C=C[C@@H](O)C[C@]156)[C@H]2[C@H]43 104290024 ZDMUPGIYZAKMAW-SDEWFTBBSA-N 308.377 2.697 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 12793625 OKOGFKJRKBYPCT-SCLBCKFNSA-N 314.385 2.678 0 40 DFAB O=C1NCCCC[C@H]1Sc1nnc(NCc2ccco2)s1 11445892 XKMLOKCHVIIHOA-SNVBAGLBSA-N 324.431 2.504 0 40 DFAB Cc1cc2nc(NCCC(=O)NC(C)C)c3ccccc3n2n1 45726009 RMVVYSSBOPBMQA-UHFFFAOYSA-N 311.389 2.518 0 40 DFAB Cc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)o1 110689163 NKERRHJUUAWQOE-SNPRPXQTSA-N 305.374 2.765 0 40 DFAB CSCC[C@H]1NC(=S)N(CC[C@H]2C[C@@H]3CC[C@@H]2C3)C1=O 102139958 DNMMSHUNZTXJCT-FVCCEPFGSA-N 312.504 2.651 0 40 DFAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)no1 4385171 QBPJWPJCNOJFDZ-ZDUSSCGKSA-N 313.357 2.591 0 40 DFAB CCc1cccc(C)c1N(C(=O)Cn1ccnc1)[C@H](C)COC 4385928 LBLKUISBPIXDTP-OAHLLOKOSA-N 315.417 2.822 0 40 DFAB Cn1cc(CCNC(=O)Nc2cccc(-n3cccc3)c2)cn1 65592009 HBGURKYHLCFLLR-UHFFFAOYSA-N 309.373 2.575 0 40 DFAB CC(C)n1ncc2cc(NC(=O)[C@H]3Cc4ccccc4O3)cnc21 14188921 UUYIKLLJHCNFSF-MRXNPFEDSA-N 322.368 2.954 0 40 DFAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCOCC1 14181215 ZIGLHYZGKMYOGK-AATRIKPKSA-N 318.373 2.821 0 40 DFAB CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 65613704 AGNBSIMXVMUWQV-CQSZACIVSA-N 320.433 2.767 0 40 DFAB COc1cccc(OCCOc2ccc(C=O)cc2OC)c1 4502096 FDHCNWHUGPWHNT-UHFFFAOYSA-N 302.326 2.974 0 40 DFAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(N)=O 4601925 SQLGMLOLZAFMOV-NSHDSACASA-N 312.369 2.534 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)O)c(C)c1 66290465 YMEDCYDMVYWRMY-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB Cc1ccc2cccc(OCn3nnc4ccccc4c3=O)c2n1 4708244 KMUBVDWGYJDCJC-UHFFFAOYSA-N 318.336 2.685 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)c1ccc(F)c(F)c1 5636595 HQJHWLUQOYXWMY-YFKPBYRVSA-N 301.343 2.762 0 40 DFAB CSc1nc(=O)c2c(n1C)N=C(O)C[C@@H]2c1cccc(F)c1 9358128 GOUFMIKIPMRHRG-SNVBAGLBSA-N 319.361 2.765 0 40 DFAB COc1ccccc1CNC(=O)c1ccc2c(c1)OCCCO2 7986953 VXUBMXFSGLHXIM-UHFFFAOYSA-N 313.353 2.787 0 40 DFAB biogenic C[C@H](Cc1cccc(F)c1)C(=O)NCCN1CCCCCC1 69127905 FQAWWNUBGVCLMU-OAHLLOKOSA-N 306.425 2.997 0 40 DFAB O=C(NC[C@H]1CC=CCC1)Nc1cccc(Cn2cncn2)c1 69182999 WQJDSKXSRHXZNR-AWEZNQCLSA-N 311.389 2.804 0 40 DFAB CC1(C)CN(C(=O)N[C@H]2CCc3c(O)cccc32)CCS1 83735242 OONIRMLZFBMUDA-ZDUSSCGKSA-N 306.431 2.917 0 40 DFAB CC1(C)NC(=O)N(CCSc2ccnc3ccccc23)C1=O 70040233 YQMMJLDWWXULBW-UHFFFAOYSA-N 315.398 2.657 0 40 DFAB CCc1ccsc1C(=O)N(C)[C@H](C(N)=O)c1cccc(F)c1 70038059 UZVQIUJFUZEVAG-ZDUSSCGKSA-N 320.389 2.748 0 40 DFAB CC(C)[C@@H]1Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 17045868 YRLNIUHLQDWGAG-NSHDSACASA-N 301.371 2.630 0 40 DFAB Cc1ccc(N2C(=O)N(C[C@@H](O)c3ccccc3)C(=O)[C@@H]2C)cc1 24087460 PDJHEYLCQWJYRD-WMLDXEAASA-N 324.380 2.886 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)OC/C=C/c1ccccc1 22474399 RHVBSLKVEPHXFX-RMKNXTFCSA-N 320.348 2.653 0 40 DFAB C[C@H](c1nc(-c2cccs2)no1)N1CCc2c(ncn2C)C1 69510914 BEFPVZGPQMNNET-SNVBAGLBSA-N 315.402 2.651 0 40 DFAB C[C@H](NCc1csc(-c2ncccn2)n1)[C@@H](C)n1cccn1 69655967 VBFGFFQUWXBRMX-NWDGAFQWSA-N 314.418 2.536 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-n2cccn2)c(F)c1 69699463 RBGZIYGMIIYXIW-CYBMUJFWSA-N 317.364 2.510 0 40 DFAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1Cn1cccn1 69774705 IUPNSXJTJHBJPP-GOSISDBHSA-N 320.396 2.979 0 40 DFAB C[C@@H](Nc1nc(=O)c(Cc2ccccc2)n[nH]1)c1ccccc1 8739167 NTIKLOYBUNUWPK-CYBMUJFWSA-N 306.369 2.929 0 40 DFAB CC1CCC(N(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)CC1 71800813 DSTIXONHEPWTRV-JVWICGRDSA-N 304.434 2.567 0 40 DFAB O=C(NCCCc1ccccc1)c1cc2ccccc2c(=O)[nH]1 71822553 IWSBMKFAVUBMND-UHFFFAOYSA-N 306.365 2.891 0 40 DFAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCCCCC1 87249686 JHPWZJQAWAYWLM-CYBMUJFWSA-N 305.426 2.651 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n1 72235636 QCPHTDXGEZAKGA-SJLPKXTDSA-N 324.428 2.788 0 40 DFAB COc1c([C@H]2CCCN2C(=O)Cc2cccs2)c(C)nn1C 72234234 XALHWLCREHFNAB-CYBMUJFWSA-N 319.430 2.705 0 40 DFAB O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 72273266 PYNOERBJCLEOKW-SJORKVTESA-N 324.428 2.952 0 40 DFAB COc1ccc(/C=C/C(=O)N2CCC(C)CC2)c(OC)c1OC 409412119 RSEOKDNXDYGSSD-SOFGYWHQSA-N 319.401 2.984 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C2=CCCC2)C1 95415242 MHIOXIAMPUVVEY-CYBMUJFWSA-N 308.422 2.860 0 40 DFAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nncs1 72403689 UELKLDLKLUTMIA-UHFFFAOYSA-N 319.777 2.844 0 40 DFAB O=C(NCCN[C@H]1CC2(CCC2)Oc2ccccc21)C1CC1 95419336 KRKXVZJNAJOVHA-HNNXBMFYSA-N 300.402 2.549 0 40 DFAB C[C@@H](NC(=O)c1ccc(NC=O)cc1)[C@@H](C)Oc1ccccc1 95405623 JWQRYBIYXMCWEM-ZIAGYGMSSA-N 312.369 2.841 0 40 DFAB CC[C@@H](CO)Nc1ncc(C(=O)NC2CCCC2)cc1Cl 95401984 CCXIOCHMRMJQTJ-NSHDSACASA-N 311.813 2.590 0 40 DFAB C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)[C@@H](O)c1ccccc1 95979552 JYFWMKVLBXMHNH-VHSSKADRSA-N 311.381 2.571 0 40 DFAB C[C@@H]1CSC(SCC(=O)Nc2nc3c(s2)CCC3)=N1 95980507 LFOWPLBRDIKFMG-SSDOTTSWSA-N 313.473 2.795 0 40 DFAB CC(C)Oc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)c1 95974434 MNRVKZGOOAEHCS-NVXWUHKLSA-N 320.433 2.776 0 40 DFAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@@H](CO)C2)c1 74768990 KYWSGXYDDVBQJG-HZPDHXFCSA-N 304.434 2.648 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)cc1 76081890 BSBFNAHNAUPTSJ-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc(OCC(=O)N(C)Cc2ccccc2OC)cc1 20107431 CZXMROHLHFWLCM-UHFFFAOYSA-N 315.369 2.741 0 40 DFAB CN(C)C1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 129908263 IPHWBHREAUEDSE-STQMWFEESA-N 308.388 2.808 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Cl)ncn2)C1 38579832 BYYSPKHMDVCCQI-JTQLQIEISA-N 312.801 2.941 0 40 DFAB CC(=O)N1CCC[C@H](c2cccc(Nc3nnc(C)s3)n2)C1 72375934 GBLXSSIFIZVAJC-LBPRGKRZSA-N 317.418 2.711 0 40 DFAB Cc1nnc(Nc2cncc([C@@H]3CCCN3CC3CC3)n2)s1 72376299 JYAGCPIQJDLFKG-ZDUSSCGKSA-N 316.434 2.927 0 40 DFAB CC[C@]1(C)CN(C(=O)N[C@H](COC)c2ccccc2)CCO1 188248515 LESJFMWTMANKHN-NVXWUHKLSA-N 306.406 2.585 0 40 DFAB Cc1noc([C@@H]2CCCN(Cc3cc(C(=O)O)sc3C)C2)n1 564092778 LLXVJQNLDGZVDY-LLVKDONJSA-N 321.402 2.826 0 40 DFAB COc1ccc(CNC(=O)c2cc(F)ccc2F)c(OC)c1 45171865 JIDRDZQWXPBFOO-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB Cc1noc(C)c1C(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225789459 SWHWTHIILZTZCL-HNNXBMFYSA-N 300.358 2.505 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)n1)Nc1ccccc1 224211711 AUZVHYFXLFVDER-UHFFFAOYSA-N 311.389 2.789 0 40 DFAB O=C(Nc1cccc2ncccc12)c1nnc2ccccc2n1 46088109 DEYHLMFRLVREEQ-UHFFFAOYSA-N 301.309 2.825 0 40 DFAB O=C(NCc1cnn2ccccc12)c1cc(-c2ccccc2)on1 75162815 DKZUMPQIEJMOMW-UHFFFAOYSA-N 318.336 2.919 0 40 DFAB CO[C@@H]1CC[C@@H](NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 225605996 KNARYCWXOYQZEY-CKEIUWERSA-N 312.454 2.791 0 40 DFAB O=C1OCCN1CCCNCc1ccc(Cl)c2cccnc12 195539739 LTVZDYFMHWXWQO-UHFFFAOYSA-N 319.792 2.820 0 40 DFAB COCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cn1 225888485 CRVHEELBWBCTPJ-UHFFFAOYSA-N 322.405 2.785 0 40 DFAB COc1ccc(CCC(=O)N2C[C@@H](C)OCC2(C)C)cc1OC 41194463 DYLBFNAVLHMLSA-CYBMUJFWSA-N 321.417 2.662 0 40 DFAB COc1cc(N)ccc1NC(=S)NC(=O)c1ccc(C)cc1 226238475 MBJAHTHMBVNASV-UHFFFAOYSA-N 315.398 2.713 0 40 DFAB O=C(NCc1nccc(N2CCCCC2)n1)Nc1ccccc1 224164378 WZOZUDNDMAOKNE-UHFFFAOYSA-N 311.389 2.789 0 40 DFAB O=C1C[C@H](C(=O)O)[C@H](c2ccc(OCc3ccccc3)cc2)O1 85394705 WLERNJMRYDEZQM-RDJZCZTQSA-N 312.321 2.954 0 40 DFAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(C(=O)O)o2)cc1 577845980 QXZHJPRLQZLVJP-UHFFFAOYSA-N 323.370 2.926 0 40 DFAB CC(C)c1nc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1 96424571 MNIXMQMLUYWPMK-LBPRGKRZSA-N 324.425 2.634 0 40 DFAB CC(C)c1nnc2n1C[C@@H](Nc1ncnc3ccccc13)CC2 97199313 DMJDCWPXYNWPTF-LBPRGKRZSA-N 308.389 2.772 0 40 DFAB CC[C@H](COC)NC(=O)Nc1cccc(-c2nccn2C)c1 96415925 CGBLJFNETVBWKB-CYBMUJFWSA-N 302.378 2.634 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN2CCC(N3CCCNC3=O)CC2)o1 93669237 SVBONNCEBBGNIS-CZUORRHYSA-N 317.433 2.783 0 40 DFAB C[C@H](CNCc1ncc[nH]1)Oc1ccccc1Br 96452783 DBXOQYXCXKXSCQ-SNVBAGLBSA-N 310.195 2.729 0 40 DFAB c1cc(CO[C@H]2CN(CC3CCC3)[C@@H]3CCCO[C@H]23)ccn1 96187164 YZKVZWXESNXQCA-SQNIBIBYSA-N 302.418 2.630 0 40 DFAB O=S(=O)(Nc1cccc2nc[nH]c12)c1cccc2cccnc12 96452974 WWYCOWGOWKEMKA-UHFFFAOYSA-N 324.365 2.912 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 96461768 MOEHJDPUNCEXIP-OAHLLOKOSA-N 307.419 2.661 0 40 DFAB c1cc2n(n1)C[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 96189086 RXKLMBXKXMPDQY-INIZCTEOSA-N 301.390 2.535 0 40 DFAB C[C@@H]1CN(Cc2ccc(CO)o2)C[C@H](c2ccc(F)cc2)O1 93606409 OGNICSNFKJUZLV-SJKOYZFVSA-N 305.349 2.873 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@H]2CN)cc1 252516053 PSUGTCKXGIBADH-GVDBMIGSSA-N 319.401 2.649 0 40 DFAB Cc1cncc([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257304053 SJWVOXVKWZJRDX-CQSZACIVSA-N 321.384 2.681 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 257323164 WIZJQNGVLXGYDN-INIZCTEOSA-N 313.401 2.806 0 40 DFAB CCN1C(=O)C[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1C 257283569 OYWGOUDDWJFCCL-WBVHZDCISA-N 300.402 2.573 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccc(Cl)cc1 257216358 CUFBLFVGYYTHNS-HIFRSBDPSA-N 308.809 2.728 0 40 DFAB COc1cc(-c2cc(-c3ccc(O)cc3O)nn2C)ccc1O 257314057 UVDIBAJCKPPFDI-UHFFFAOYSA-N 312.325 2.880 0 40 DFAB COc1ccccc1[C@H](CNC(=O)/C=C/c1ccoc1)OC 96384830 KODIZUBHCJONEF-WAVCKPEOSA-N 301.342 2.805 0 40 DFAB O=C(CN1CCCc2cc(F)ccc21)NCc1cccs1 26623001 DLELEUSATZCKBL-UHFFFAOYSA-N 304.390 2.956 0 40 DFAB C/C=C(\C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 585139607 QWVBFXGTZVLOMN-KBNZMGLGSA-N 324.306 2.995 0 40 DFAB O=C(NC[C@H]1CCCO1)N(Cc1ccc(F)cc1F)C1CC1 69950073 AUYSUZHHFGLNDX-CQSZACIVSA-N 310.344 2.818 0 40 DFAB C[C@H](CC(=O)NCC(=O)Nc1nccs1)c1ccc(F)cc1 58229849 XVYDMVPBNULMII-SNVBAGLBSA-N 321.377 2.531 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)NCC[C@H]1CCCCO1)CO2 96002196 OSUNOWWYZRTRFF-UKRRQHHQSA-N 304.390 2.687 0 40 DFAB CC(=O)SC1([C@H](C(N)=S)c2ccccc2)CCN(C)CC1 5500841 ZSPJRXXCFYNHSS-AWEZNQCLSA-N 322.499 2.800 0 40 DFAB C[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@@H](C)O1 12145529 PWZCPOHJXVLTNJ-GHMZBOCLSA-N 304.321 2.730 0 40 DFAB Cc1cccc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)c1C 12236246 AZAFCVCCSJNMBF-GFCCVEGCSA-N 315.398 2.536 0 40 DFAB Cn1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)c2cccnc21 12253716 UOGDZSDYWVVJMD-CQSZACIVSA-N 312.417 2.865 0 40 DFAB Cc1ccc(-c2nnc(CNC(=O)/C=C/c3ccccc3)o2)cn1 19215264 VDIJRCPFZKNOEI-CSKARUKUSA-N 320.352 2.770 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1 150745918 DUIACJOOBIXVAP-UHFFFAOYSA-N 322.361 2.609 0 40 DFAB CN1CCC(CCNC(=O)COc2ccccc2Cl)CC1 156371054 KGMBDMWLTXPFPV-UHFFFAOYSA-N 310.825 2.567 0 40 DFAB CC1(c2cc[nH]n2)CCN(C(=O)COc2cccc(F)c2)CC1 607853345 MHMKGHMZOWDFHQ-UHFFFAOYSA-N 317.364 2.508 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C[C@@H](C)O1 226301552 OHDUQQHKKHPVHK-VXGBXAGGSA-N 300.358 2.778 0 40 DFAB O=C(CN1CCCCCC1)Nc1ccc2c(c1)OC(F)(F)O2 3344795 XBOCOTWOVORPII-UHFFFAOYSA-N 312.316 2.823 0 40 DFAB Cc1sc2ncnc(OCC(=O)NCc3ccco3)c2c1C 3599916 OXPZTKWUDYUGHO-UHFFFAOYSA-N 317.370 2.596 0 40 DFAB Cc1nc2ccccn2c(=O)c1NC(=O)c1c(F)cccc1F 8831391 QVMJPEVQMLLSCW-UHFFFAOYSA-N 315.279 2.533 0 40 DFAB C[C@H](C(=O)Nc1ccccc1Cl)n1nc(C2CC2)ccc1=O 575619267 JEUGVODODSYMBQ-SNVBAGLBSA-N 317.776 2.974 0 40 DFAB O=C(NCc1cn(-c2cccs2)nn1)c1cccc(Cl)c1 575616893 OCHXVBILROOANY-UHFFFAOYSA-N 318.789 2.912 0 40 DFAB C[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccsc1 206707866 VMICEMPCZOETQL-KRWDZBQOSA-N 303.427 2.791 0 40 DFAB C=CC(=O)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 585291077 JILMGVCRXIMMDM-CQSZACIVSA-N 323.400 2.582 0 40 DFAB NC(=O)c1ccc(NC(=O)c2ncc(-c3ccccc3)o2)cc1 9321408 DJWUBINCFMFYIG-UHFFFAOYSA-N 307.309 2.693 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C2=O 71250884 IMSMESRIRXXPPH-GOSISDBHSA-N 316.401 2.656 0 40 DFAB O[C@H]1Cc2ccccc2[C@H]1NCc1c[nH]nc1-c1cccs1 51188121 OPXNNMFGEPMQBE-WMLDXEAASA-N 311.410 2.886 0 40 DFAB Nc1nnc(SCC(=O)NC2CCCCCCC2)n1C1CC1 31853821 GMGZCXGVQTYUMI-UHFFFAOYSA-N 323.466 2.516 0 40 DFAB COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1OC(F)F 40554691 FROCIDZCCSYTPE-UHFFFAOYSA-N 324.283 2.546 0 40 DFAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCC(=O)O 348597 UBWGYULRGHEJAY-UHFFFAOYSA-N 313.375 2.681 0 40 DFAB Cc1nc2ccccc2nc1N1CCN(c2ccc(O)cc2)CC1 32771189 QKGVJDZNHKFSFC-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB Clc1ccccc1[C@H]1C[C@H](c2cccnc2)Nc2nnnn21 21653273 SWJCVZZCNYJBBG-ZIAGYGMSSA-N 312.764 2.868 0 40 DFAB COc1ccc(OCCN(C)Cc2nnsc2Cl)cc1 52661011 IYFHYVJVHCHZMV-UHFFFAOYSA-N 313.810 2.711 0 40 DFAB COc1cc([C@H](O)[C@@H](C)Oc2ccccc2OC)ccc1O 185108 QJGIDXOMZMVHIJ-PIGZYNQJSA-N 304.342 2.910 0 40 DFAB biogenic COc1ccccc1NC(=O)NCc1ccc2c(c1)OCO2 413867 KGDMJPOCGVPFMT-UHFFFAOYSA-N 300.314 2.746 0 40 DFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2[nH]ccc2c1 61718778 HWRJGADMMCSQOO-UHFFFAOYSA-N 318.336 2.586 0 40 DFAB O=C(COc1ccc(Cl)cc1)NC(=S)N1CCCCC1 508525 ITFDDHIHYVGAGK-UHFFFAOYSA-N 312.822 2.606 0 40 DFAB O=C(CSc1ccccc1)NC[C@H](O)c1ccc(F)cc1 78686376 YBVVLWVNGRDSAB-HNNXBMFYSA-N 305.374 2.768 0 40 DFAB CCNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1377707 WCUZGPWNLKYWDA-KBPBESRZSA-N 307.463 2.649 0 40 DFAB CC(C)c1ccc(O[C@H]2CCN(C3CCOCC3)C2=O)cc1 78990546 KQASWBLJKPSOOH-KRWDZBQOSA-N 303.402 2.969 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)Nc1nccs1)N(C)C 42739007 PNLZAGLUMDAWGA-GFCCVEGCSA-N 320.418 2.576 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(F)cc(F)c1 24653077 PQGLMUYUGIGQBJ-CQSZACIVSA-N 319.307 2.877 0 40 DFAB C[C@H](Sc1nnc2ccccn12)C(=O)N1C[C@H](C)C[C@@H](C)C1 106024451 ACSCTWBOVUSHBV-UPJWGTAASA-N 318.446 2.714 0 40 DFAB COCCN(C(=O)CC(C)C)c1nnc(-c2ccncc2)s1 4881330 IFWNJODXHHEVNL-UHFFFAOYSA-N 320.418 2.626 0 40 DFAB Cc1cccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)c1C 24989804 KEYPZYPXVSKACT-UHFFFAOYSA-N 324.384 2.911 0 40 DFAB Cc1cc(C)n2c(SCC(=O)c3ccc(F)cc3)nnc2n1 3298956 JYIQIMNWTPZCPO-UHFFFAOYSA-N 316.361 2.855 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Cl)cc1N 3254931 SMYYBLKHPJDPTR-QWRGUYRKSA-N 324.808 2.869 0 40 DFAB CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 8553322 HJABIYJRZIWBLB-NRFANRHFSA-N 323.805 2.637 0 40 DFAB Cc1nc(CC(=O)Nc2cccnc2-n2ccnc2C)cs1 57221816 GGCZEMYNWFXNDW-UHFFFAOYSA-N 313.386 2.522 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N(C)c1nc2ccccc2s1 26967518 WHUGCCBTRIQHQN-UHFFFAOYSA-N 314.414 2.852 0 40 DFAB CN(C)[C@@H](CNC(=N)NCc1ccccc1)c1cccs1 57752133 QLUQJVFDEIDEOS-AWEZNQCLSA-N 302.447 2.665 0 40 DFAB COC(=O)c1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1 9478025 QSBXHRIPCWZFRZ-ZIAGYGMSSA-N 304.415 2.977 0 40 DFAB Oc1nc(CN2CCCCCC2)nc2c1cnn2-c1ccccc1 48274488 YZHBDDGOVBCKNF-UHFFFAOYSA-N 323.400 2.897 0 40 DFAB FC(F)(F)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1 44684025 CYLIEUIFXRYMAX-LBPRGKRZSA-N 300.324 2.912 0 40 DFAB O=c1oc(-c2ccc(F)cc2)nn1CCOc1ccccc1 9154926 DTIASDSQQFPQSB-UHFFFAOYSA-N 300.289 2.721 0 40 DFAB O=C1CCc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2N1 44889431 BNBRMOGIAJYYLL-INIZCTEOSA-N 322.364 2.825 0 40 DFAB O=C(NCCc1cccs1)c1ccc(C(F)(F)F)nc1O 44894292 VPNURQCENATUML-UHFFFAOYSA-N 316.304 2.840 0 40 DFAB O=C(CNC(=O)C1CCCCC1)Nc1cccc2ncccc12 10219960 KXRNRQPPJVHZGB-UHFFFAOYSA-N 311.385 2.870 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cnn(Cc3ccncc3)c2)c1 58230337 GGYMXSGJOZGEGP-UHFFFAOYSA-N 321.384 2.645 0 40 DFAB c1cnc(-c2nc(CN3CCOc4ccccc4C3)cs2)nc1 44976942 JQWCNTIHCZRMCQ-UHFFFAOYSA-N 324.409 2.995 0 40 DFAB COc1ccc(S[C@H](C)C(=O)NCc2ccncc2)cc1 22535165 UQHXVEZRERXBGR-GFCCVEGCSA-N 302.399 2.887 0 40 DFAB O=C1c2ccccc2CS(=O)(=O)N1C/C=C/c1ccccc1 58304559 YSTCQZRTOJJSCW-RMKNXTFCSA-N 313.378 2.686 0 40 DFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccccc1 3332496 VRVAAMZYVZDCMU-UHFFFAOYSA-N 309.321 2.668 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 3323391 KKQXKPPUOFQTBP-UHFFFAOYSA-N 324.380 2.783 0 40 DFAB CCCN(CC1CC1)CN1C(=O)NC2(CCC(C)CC2)C1=O 3369022 VJWFUGHHIAXYLI-UHFFFAOYSA-N 307.438 2.567 0 40 DFAB O=S(=O)(NCc1cccc(F)c1)c1ccc(F)c(F)c1 58754985 XTPKZZUWEPXLSJ-UHFFFAOYSA-N 301.289 2.582 0 40 DFAB CCn1nnc2cc(C(=O)N3CCc4sccc4C3)ccc21 10923073 GNUSISQNFTUVES-UHFFFAOYSA-N 312.398 2.711 0 40 DFAB CC(C)N1CCC(Nc2ccc(NC(=O)C3CC3)nc2)CC1 97238353 XGMYUAACJDWROT-UHFFFAOYSA-N 302.422 2.715 0 40 DFAB CSc1nnnn1-c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 45715550 FPQNCXCBOLFDAT-LLVKDONJSA-N 315.402 2.679 0 40 DFAB CCCCC[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 29432562 NYFYSPCCBVHMDU-LLVKDONJSA-N 304.390 2.593 0 40 DFAB CCCN(CC1CC1)C(=O)COc1ncnc2sccc12 2664604 RAAZDZFLAUZDLO-UHFFFAOYSA-N 305.403 2.719 0 40 DFAB COc1cccc2c1OCC(=O)N(c1ccc(F)c(F)c1)C2 67323816 DNSVMTWMXBZSIH-UHFFFAOYSA-N 305.280 2.899 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 62912771 TYQRWFJYESHERB-ZDUSSCGKSA-N 301.264 2.642 0 40 DFAB CC(C)c1nnc2n1N=C(c1cccs1)[C@H](CC(=O)O)S2 13182089 XEGNZWVSQZKTQA-VIFPVBQESA-N 322.415 2.664 0 40 DFAB COCCn1cc2c(n1)[C@H](Nc1ccnc(C3CC3)n1)CCC2 96002465 LSYWXHPBOAKVLB-CQSZACIVSA-N 313.405 2.686 0 40 DFAB c1ccc2c(-c3nn4c(-c5cnccn5)nnc4s3)c[nH]c2c1 13690739 XQUADZBGWUBBPZ-UHFFFAOYSA-N 319.353 2.791 0 40 DFAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCOCC1 5050478 VJKJLGUFZHLGFT-UHFFFAOYSA-N 301.367 2.780 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)/C=C/c2ccco2)[C@@H]1C 5113202 ISHXVBNQBLMUMA-SYFVHKBXSA-N 305.374 2.777 0 40 DFAB CC(C)C[C@H](C)NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 95440835 COVCMKRNPYEBFZ-KKUMJFAQSA-N 324.421 2.548 0 40 DFAB CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccncc1 5271334 UYVFDPKKGSCOTA-UHFFFAOYSA-N 313.386 2.663 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1 4498281 YGXWXNIXGWPINU-AWEZNQCLSA-N 312.369 2.511 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1ccc(C)c(C)c1 19736183 MCMVLZIKSOPRRZ-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB Nc1nccnc1C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 95413738 TZYXHCYCAOAWRB-KSSFIOAISA-N 308.385 2.600 0 40 DFAB O=C(Nc1cccc(F)c1F)N1CCC(Cn2ccnn2)CC1 95435484 ZZAZBXPUHXUFPJ-UHFFFAOYSA-N 321.331 2.500 0 40 DFAB O=C([C@H](Sc1ncn[nH]1)c1ccccc1)N1CCCCC1 5466824 PGKKKAZRGPTIHP-CYBMUJFWSA-N 302.403 2.651 0 40 DFAB CC1(C)CN(C(=O)NCCC(=O)Nc2ccccc2)CCS1 83723577 XVDDVSMMRWYLOO-UHFFFAOYSA-N 321.446 2.552 0 40 DFAB CCOc1ccc(C(=O)CS(=O)(=O)c2ccccc2F)cc1 67340687 AVGKDDOEGKIHTP-UHFFFAOYSA-N 322.357 2.881 0 40 DFAB CN1C(=O)C[C@@H](COC(=O)C2=CCCC2)[C@@H]1c1cccs1 95415968 NTYFLZMEQAHSBW-SWLSCSKDSA-N 305.399 2.921 0 40 DFAB Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N(C)C)o1 15860107 KGRPHSHXLCUWKA-HNNXBMFYSA-N 320.364 2.525 0 40 DFAB CCc1sc(C(=O)NCCc2n[nH]c(=S)n2CC)cc1C 71882426 MQQOWSLFEKKYHM-UHFFFAOYSA-N 324.475 2.865 0 40 DFAB COCCN(CCN(C)C)C(=O)c1ccc(Cl)c(Cl)c1 83851025 RAEZDHZITMLOKW-UHFFFAOYSA-N 319.232 2.644 0 40 DFAB CC(C)(C)NCCNC(=O)Nc1nc(-c2cccnc2)cs1 71916269 GNSNLLPNNLRIIB-UHFFFAOYSA-N 319.434 2.715 0 40 DFAB c1coc(CN(C[C@H]2CCCO2)c2ccc3nccnc3n2)c1 95421581 AYMCKLYZEURKSV-CQSZACIVSA-N 310.357 2.803 0 40 DFAB CCc1noc(-c2ccc(CCNC(=O)N3CCCC3)cc2)n1 69224228 GEBYVTCOVHHUGB-UHFFFAOYSA-N 314.389 2.647 0 40 DFAB COc1ccccc1-c1noc(CCNC(=O)OC(C)(C)C)n1 69738351 RZHROILBHIXHKR-UHFFFAOYSA-N 319.361 2.812 0 40 DFAB C[C@H](c1ccccc1)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 69840940 RPXWKNRULVQEKC-DGCLKSJQSA-N 300.324 2.843 0 40 DFAB C[C@@H](Nc1ccn(CCc2ccncc2)n1)C1CCN(C)CC1 97037886 VYGPGIARVIHVMH-OAHLLOKOSA-N 313.449 2.663 0 40 DFAB COc1ccccc1NC(=O)COc1cccc2c1CCC2=O 8855872 FDKBEMMFGRXPDO-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)n1 72235350 VUNDFGGKCBQUBS-LLVKDONJSA-N 308.769 2.619 0 40 DFAB CC(C)C[C@H]1CCCN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97110773 GWHAGZDPPCNQKD-HZPDHXFCSA-N 318.417 2.900 0 40 DFAB CC(C)OCCNC(=O)Nc1cnc(-c2ccccc2)nc1 97113166 KMQIXNQKWUMHRO-UHFFFAOYSA-N 300.362 2.690 0 40 DFAB Cc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)n1 97142736 JNIDEHWMZQIAEZ-UHFFFAOYSA-N 313.405 2.610 0 40 DFAB C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)[C@@H](O)c1ccccc1 95979551 JYFWMKVLBXMHNH-BVGQSLNGSA-N 311.381 2.571 0 40 DFAB Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2nccn2C)c1 89611884 NAVHZZZCRXJDCH-UHFFFAOYSA-N 312.417 2.601 0 40 DFAB O=C1c2ccc(F)cc2C(=O)N1Cc1nc2cc(F)ccc2o1 89807167 LOFBAFJFVBARMN-UHFFFAOYSA-N 314.247 2.902 0 40 DFAB Clc1cc(CN[C@H]2CCc3ncnn3C2)c2ncccc2c1 75603444 GJEOOOXBTJWHBL-AWEZNQCLSA-N 313.792 2.584 0 40 DFAB COc1cccc(CNC(=O)c2[nH]c3ccccc3c2CCO)c1 68605303 ZMUCKWOLWPTAIF-UHFFFAOYSA-N 324.380 2.641 0 40 DFAB CO[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1 306137817 RHHBSRKBYLXKOY-PSKZRQQASA-N 302.399 2.620 0 40 DFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCN2C[C@@H]1C 36718954 LDARSZITWJJGDR-YQQAZPJKSA-N 316.445 2.762 0 40 DFAB O=S(=O)(O)c1cc(O)cc2ccc(Br)cc12 3845156 LUQYCPXERRSCKN-UHFFFAOYSA-N 303.133 2.555 0 40 DFAB biogenic CCc1nnc(S/C(=C\c2ccc(C(=O)O)cc2)C(=O)O)o1 214861513 MOGVOCLXRJAVDG-YFHOEESVSA-N 320.326 2.548 0 40 DFAB CC(C)(C)OC(=O)N1CCC(C2(C(=O)O)CCOCC2)CC1 1535631126 MPYLYOPWDKDUJQ-UHFFFAOYSA-N 313.394 2.515 0 40 DFAB CCOC(=O)[C@H]1C[C@@]2(C)C(=O)CCC[C@H]2N1Cc1ccccc1 212419917 IPLVJTLXCKXGHG-GPMSIDNRSA-N 315.413 2.952 0 40 DFAB CCOc1ccccc1C(=O)NC[C@@H](O)c1cccc(OC)c1 78929822 WJJPEXOVWDMCBC-MRXNPFEDSA-N 315.369 2.557 0 40 DFAB CCn1nc(C)c(CCC(=O)NCc2ccc(F)cc2)c1C 71195410 NRDCSIMPQDXRBO-UHFFFAOYSA-N 303.381 2.908 0 40 DFAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2ccccc2)cc1 74803180 QUPDKKSUTXVOGC-KRWDZBQOSA-N 320.392 2.847 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)OCc3cnn(C)c3)cc2)n1 79321084 PHGKFEDDAWJCBQ-UHFFFAOYSA-N 324.384 2.639 0 40 DFAB COC(=O)[C@@H]1CC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957963 QMERFPLVXHPTQQ-JBEPLPHGSA-N 305.418 2.613 0 40 DFAB Cn1cc([C@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cn1 328905243 JXXUSGWNGGFJDM-QGZVFWFLSA-N 321.384 2.731 0 40 DFAB Cc1ccccc1-c1noc(CNC(=O)Cc2cccs2)n1 41152390 IPFWUSJIZGZLAH-UHFFFAOYSA-N 313.382 2.965 0 40 DFAB O=C(c1cccc(Cn2cc(F)ccc2=O)c1)N1CCCCC1 190740494 VDHGTALHUSQAMF-UHFFFAOYSA-N 314.360 2.662 0 40 DFAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 96685544 GHFIJDMORSWUBD-QGZVFWFLSA-N 322.408 2.973 0 40 DFAB COC(=O)c1ccc(CN(C)[C@@H](CO)c2cccc(F)c2)s1 95411636 OACYCSQBEFYINC-AWEZNQCLSA-N 323.389 2.839 0 40 DFAB C[C@H](CNc1ncnc2cc(F)c(F)cc12)Cn1ccnc1 96429200 VQYSTHGNNHTNNY-SNVBAGLBSA-N 303.316 2.853 0 40 DFAB CCc1nn(C)cc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1 96501349 FMTVOKHIPOIXGA-UHFFFAOYSA-N 324.388 2.694 0 40 DFAB Fc1ccc(-c2cc(N3CCCNCC3)nc(C3CC3)n2)cc1 96517016 NWPHSVJJIPDQEA-UHFFFAOYSA-N 312.392 2.960 0 40 DFAB CN1C(=O)C[C@H](CN[C@@H]2CCCSC2)[C@H]1c1ccccc1 97371218 PMRHBXIMWCRCJV-BFYDXBDKSA-N 304.459 2.691 0 40 DFAB CC(=O)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206015 HSSKDOVTPQEGFQ-HKUYNNGSSA-N 310.397 2.940 0 40 DFAB CC[C@@H](c1ccc(F)cc1F)[S@@](=O)CC(=O)N(C)C1CC1 96448136 YMPCYSCZWFUTAF-LHSJRXKWSA-N 315.385 2.785 0 40 DFAB Cc1noc(C)c1CSCC(=O)N(C)c1c(C)noc1C 96448284 HCKCVXGSZAZKAK-UHFFFAOYSA-N 309.391 2.792 0 40 DFAB O=C(OC1([C@H]2CCOC2)CC1)c1cnn(Cc2ccccc2)c1 96442329 NOKQAKJDLTXCLK-INIZCTEOSA-N 312.369 2.657 0 40 DFAB COc1ccccc1CN1CCC2(CCN(C(C)=O)CC2)C1 96088716 XPFIDDOJPDJNDK-UHFFFAOYSA-N 302.418 2.530 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)CCc1cccs1 97379389 LXOICABQUUIEER-OAHLLOKOSA-N 304.415 2.619 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 253370537 SDJWHVCKGXCUJY-ZQDZILKHSA-N 313.511 2.642 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 257340870 ZHVQLNJLVCVLDZ-OAHLLOKOSA-N 315.417 2.603 0 40 DFAB CCCn1ccc(C(=O)N2CCC(C)(c3nccs3)CC2)n1 257266762 MEKIKVOZBZUIEI-UHFFFAOYSA-N 318.446 2.944 0 40 DFAB CSc1ccc([C@H](O)CNC(=O)Cc2ccsc2)cc1 96103168 XOKMNMMHVHOJOY-CQSZACIVSA-N 307.440 2.862 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390826398 JXVYDXXVQYICPW-CYBMUJFWSA-N 321.384 2.724 0 40 DFAB Cc1nn(CCNC(=O)c2ccncc2)c(C)c1-c1ccco1 575606908 OSUWLTRBASPONP-UHFFFAOYSA-N 310.357 2.585 0 40 DFAB Brc1cc2c(I)c[nH]c2cn1 575436480 XVRNXQCYXRVUEY-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccncc1 72287990 DVMIKXCQIHWHGN-CABCVRRESA-N 305.422 2.722 0 40 DFAB NCc1ccc(Br)c(I)c1 169797843 VGSPOQBQRIAICJ-UHFFFAOYSA-N 311.948 2.512 0 40 DFAB CCS(=O)(=O)N(CCc1cccs1)Cc1ccccn1 97148495 NSDNLUJUDQSPIZ-UHFFFAOYSA-N 310.444 2.538 0 40 DFAB CC1CCC(NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 97107827 YLWDAATURUIKRO-SHARSMKWSA-N 310.438 2.750 0 40 DFAB Cc1cc2occ(CC(=O)NC[C@H](C)n3cncn3)c2cc1C 12201587 SSMAYNBKCZJXPF-ZDUSSCGKSA-N 312.373 2.561 0 40 DFAB Cc1ccc(-c2cc(CC(=O)NCc3ccncc3)no2)cc1 12422162 ZJIQHNZVOUKHPV-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCCC1 13716942 MRXXYMVUPORCNL-UHFFFAOYSA-N 316.401 2.678 0 40 DFAB CCc1nc2cc(NC(=O)Cn3cc(C)cn3)ccc2n1CC 19523213 WRQWCAPURYPFIV-UHFFFAOYSA-N 311.389 2.762 0 40 DFAB Cc1cc(NC(=O)C(=O)N(C)C(C)C)ccc1C(F)(F)F 163383435 FJADFYKBGGXZCJ-UHFFFAOYSA-N 302.296 2.819 0 40 DFAB CN(Cn1nc(-c2cccs2)oc1=O)c1ccc(F)c(F)c1 164684196 TUDZPFNKJUDLHJ-UHFFFAOYSA-N 323.324 2.937 0 40 DFAB CCN(CC)c1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)o1 6433790 IOSPATDJVWPDNU-FLIBITNWSA-N 322.390 2.770 0 40 DFAB CCSc1ccccc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 239611798 FEPNRHFSKVATPJ-VHDGCEQUSA-N 321.442 2.865 0 40 DFAB O=S(=O)(NCC1CCN(C2CCCC2)CC1)c1ccccc1 23127596 BYUDJJOFNQOVPK-UHFFFAOYSA-N 322.474 2.620 0 40 DFAB O=C(Cc1ccccc1)NCc1ccc(Cn2cccn2)cc1 29229281 NJOGSFKYTVXQHE-UHFFFAOYSA-N 305.381 2.790 0 40 DFAB CCOc1nc(NC2CCCC2)nc(N2CCC(C)CC2)n1 68498 DMDCVOVDEHNOAD-UHFFFAOYSA-N 305.426 2.861 0 40 DFAB O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccs1 13716619 RJWUMBWAXOXJJF-UHFFFAOYSA-N 314.410 2.956 0 40 DFAB O=C(c1cnccn1)N(Cc1ccsc1)CC(F)(F)F 44447442 ZPELXPVRBDAPIX-UHFFFAOYSA-N 301.293 2.743 0 40 DFAB C[C@H](O)c1ccc(C2(CNC(=O)[C@@H]3CCOC3)CCCC2)s1 585370169 GQTLGFHRIUQOSN-QWHCGFSZSA-N 323.458 2.766 0 40 DFAB O=C(O)CCC(=O)Nc1c(-c2cccs2)nc2ccccn12 280096 LHIGFZGRXARMEF-UHFFFAOYSA-N 315.354 2.866 0 40 DFAB Fc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1 163382 ZKLZMWSHSFDQMJ-UHFFFAOYSA-N 306.304 2.859 0 40 DFAB CCOC(=O)[C@H](C(=O)n1nnc2ccccc21)C1CCCCC1 20131243 OBLJEXFWTARABD-HNNXBMFYSA-N 315.373 2.831 0 40 DFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1 50735565 RPBFWIBHJFUEJY-KBPBESRZSA-N 320.408 2.983 0 40 DFAB C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccccc1 40496815 BOYGACROGBODMV-CYBMUJFWSA-N 303.383 2.629 0 40 DFAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1 246530 LMHNSFMFDMIEQR-GOSISDBHSA-N 317.433 2.771 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)cc1 32794599 DQLLZHCUAGCZSM-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCN1CCN(Cc2ccc(F)cc2Br)CC1 42229041 VWHHQCKSPFLIQY-UHFFFAOYSA-N 301.203 2.726 0 40 DFAB CCc1ccc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 77620897 FXHGVRIZVYRVDD-MOPGFXCFSA-N 324.424 2.749 0 40 DFAB CCOc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78897969 IUTQVHVSBFUZLI-RDTXWAMCSA-N 316.445 2.822 0 40 DFAB CC(C)(C)C1CCC(C(=O)NCc2nnc3n2CCC3)CC1 54536513 LGTKZMUEIVKDLD-UHFFFAOYSA-N 304.438 2.693 0 40 DFAB CC(C)(CNC(=O)[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CCCCO1 79102027 XEQFFVACMXQCFG-CVEARBPZSA-N 321.392 2.841 0 40 DFAB COC(=O)c1ccc(N2CCC[C@@H]2Cc2cccc(F)c2)nn1 79941958 SKZBAIJECJOANR-CQSZACIVSA-N 315.348 2.614 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 4965568 XZEKOHLVSFYBFD-CQSZACIVSA-N 321.465 2.800 0 40 DFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(C)=O)c12 6870134 QPVLMFCRDLQUFU-UHFFFAOYSA-N 304.346 2.630 0 40 DFAB O=S(=O)(Cc1c(F)cccc1F)NC[C@H]1CC=CCC1 95980783 KYAURQGQKVIXAS-NSHDSACASA-N 301.358 2.741 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1 25152931 LTTLEMHBAHSZTD-YOEHRIQHSA-N 311.381 2.712 0 40 DFAB CCn1cnnc1-c1cccc(NC(=O)CCc2cccnc2)c1 25280803 ZAVPYNXMAQRHGH-UHFFFAOYSA-N 321.384 2.931 0 40 DFAB CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCNCC1 43566879 BHPVGPQKIMZFDQ-UHFFFAOYSA-N 304.287 2.669 0 40 DFAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)[C@@H]1CCC(=O)N1 3259552 VYTIXNRCBXDAIV-HNNXBMFYSA-N 303.402 2.923 0 40 DFAB COC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 44722928 UDOIZWVDTYGZKW-UHFFFAOYSA-N 315.413 2.520 0 40 DFAB Cc1cccnc1CN1CCC2(CC1)CC(NC(=O)C1CC1)C2 108525973 IEJFAZMWFJRWGD-UHFFFAOYSA-N 313.445 2.661 0 40 DFAB O=C1CCCN1Cc1nnc(SCCCc2ccccc2)o1 58170089 UAMSYRDXRYDZLG-UHFFFAOYSA-N 317.414 2.917 0 40 DFAB Cc1csc(CNC(=O)c2ccc(N3CCCC3=O)cc2)n1 44894608 UAOKGIRQPVJWDX-UHFFFAOYSA-N 315.398 2.508 0 40 DFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc[n+]([O-])cc1 58347446 CYMPFZTYBGJGSK-UHFFFAOYSA-N 300.402 2.608 0 40 DFAB CN(CC(=O)N1CCCC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 58342874 OJSQUBHRNALEQD-CABCVRRESA-N 320.820 2.524 0 40 DFAB CC(C)N(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 10929816 KLWBMMLUCSSIFY-UHFFFAOYSA-N 317.433 2.665 0 40 DFAB O=C(NCc1ccsc1)N1CCN(Cc2ccccc2)CC1 46038720 PBCRGGIKIDQMEF-UHFFFAOYSA-N 315.442 2.776 0 40 DFAB COC(=O)N1CCC[C@@H](N[C@@H]2CCCc3nc(C)sc32)C1 95421609 SRMWOCBBSVETNV-DGCLKSJQSA-N 309.435 2.649 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(C)CC4)c23)C1 3568278 YJTFNGOXPTYBNQ-LLVKDONJSA-N 302.447 2.568 0 40 DFAB CCCC(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 95426566 JODBRFQIMJBPAP-UHFFFAOYSA-N 302.330 2.525 0 40 DFAB COc1ccc(CNC(=O)Cc2ccccc2C)cc1C(=O)O 13393075 LAPYRKDOZHOYPW-UHFFFAOYSA-N 313.353 2.561 0 40 DFAB CC(=O)Nc1nc2ccc(C(=O)Nc3cccnc3)cc2s1 13692945 UULIESAYPTXHCG-UHFFFAOYSA-N 312.354 2.902 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2cnnc2s1 13735243 TVMNAVMIMUWDAG-UHFFFAOYSA-N 324.413 2.774 0 40 DFAB Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1 4348131 ZIMIAGKRAGIKNR-UHFFFAOYSA-N 303.383 2.798 0 40 DFAB COC(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1 65476292 OFWKPTHBCJFSBE-ZDUSSCGKSA-N 313.353 2.557 0 40 DFAB COCCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 65548517 YNLDYMQDLPAXET-ZDUSSCGKSA-N 314.385 2.607 0 40 DFAB S=c1n(CN2CCc3sccc3C2)nc2ccccn12 14138208 NPEKAHPGHZVVFR-UHFFFAOYSA-N 302.428 2.943 0 40 DFAB COc1ccccc1OCCNC(=O)Cc1ccc(F)cc1 15381265 NRJFKYCQLPILBQ-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB Cn1nc2c(c1NC(=O)c1cc3ccccc3n1C)CSC2 61721506 JKVXARRIBFSILA-UHFFFAOYSA-N 312.398 2.911 0 40 DFAB CCc1ccc([C@@H](COC)NC(=O)[C@@H]2COc3ccccc32)o1 96423289 GTTTWSIAEVTXMK-HUUCEWRRSA-N 315.369 2.822 0 40 DFAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@H]1CCCN1 81659171 GEEDMRAUNSANFQ-SECBINFHSA-N 321.577 2.932 0 40 DFAB Cc1cnn(CCNCc2coc(-c3cccc(F)c3)n2)c1 70020734 MCYKTMPMJDOZEA-UHFFFAOYSA-N 300.337 2.775 0 40 DFAB FC(F)Oc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)nc1 94151904 VLNFLOBDLPTPFU-MRVPVSSYSA-N 311.254 2.732 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 69416684 NHIVBKRVMKEWJL-CABCVRRESA-N 324.380 2.797 0 40 DFAB Cn1ccc2c(C(=O)NCc3cn4ccccc4n3)cccc21 69514101 NXASITDAYZZBAS-UHFFFAOYSA-N 304.353 2.756 0 40 DFAB O=C1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)N1 69530033 SKHZBEBEKAKYPO-CQSZACIVSA-N 320.820 2.547 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)CCN(C)C)s1 71907648 GXFWDVIOPQUAAC-QMMMGPOBSA-N 306.378 2.728 0 40 DFAB CS(=O)(=O)CCCC(=O)N1CC2(CCCC2)c2ccccc21 98018939 IWWQRYCVVAVQJN-UHFFFAOYSA-N 321.442 2.670 0 40 DFAB CC(C)(CCC(=O)OC(C)(C)C)NC(=O)NCc1ccncc1 84199669 VRAGOZXXLOPODQ-UHFFFAOYSA-N 321.421 2.781 0 40 DFAB CC[C@H](c1ccncc1)N(C)Cc1nc2ccccc2c(=O)n1C 97034173 NNXFRTDVTCLDFR-QGZVFWFLSA-N 322.412 2.912 0 40 DFAB O[C@@H](Cn1nccc1-c1ccncc1)c1cc(F)ccc1F 95974769 VSBBJQOZIFIAJB-INIZCTEOSA-N 301.296 2.957 0 40 DFAB CC[C@@H]1CN(c2nc(C3CC3)ns2)CCN1CC(F)F 95980046 JMJWVIGVLHFMOF-SNVBAGLBSA-N 302.394 2.581 0 40 DFAB C[C@@H]1CCCC[C@H]1CN1CCC([C@H](O)c2nccn2C)CC1 97108456 FXJNKQRFNIKYOJ-PVAVHDDUSA-N 305.466 2.992 0 40 DFAB COC(=O)c1ccc(F)c(NCC(=O)N2CCCCCCC2)c1 97111820 PGVGGJOXEZSBJL-UHFFFAOYSA-N 322.380 2.817 0 40 DFAB CCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)cc1 72331668 UPKMEIAUZHJYSK-UHFFFAOYSA-N 312.369 2.974 0 40 DFAB COc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1OC 72331531 CGJANCXYPRHZDB-UHFFFAOYSA-N 307.296 2.912 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)OCc1csc(C)n1 95351300 AHYJPQUTALTQOW-UHFFFAOYSA-N 319.382 2.949 0 40 DFAB O=C(Nc1ccc(CCO)cc1)c1ccc(N2CCCC2=O)cc1 95373532 QHOCIKWMIATARY-UHFFFAOYSA-N 324.380 2.601 0 40 DFAB C[C@H]1CCC[C@H](C)N(C(=O)NCCCCn2ccccc2=O)C1 74266638 WXDDVZIHEBWFFL-HOTGVXAUSA-N 319.449 2.849 0 40 DFAB Cc1cccc(CN2CCN(CCN3CCC[C@@H](C)C3)CC2)c1 75092792 ONHPUQOXKKLXAS-LJQANCHMSA-N 315.505 2.845 0 40 DFAB Cc1ccsc1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75124910 IBLWMBNCADHLKX-UHFFFAOYSA-N 314.366 2.935 0 40 DFAB CCc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 75535481 FGMAGLSMNIFWRO-UHFFFAOYSA-N 301.371 2.926 0 40 DFAB Cc1cc(C=O)c(C)n1NC(=O)COc1cccc(Cl)c1 408569217 ZPCVCGOZCYVSJD-UHFFFAOYSA-N 306.749 2.720 0 40 DFAB O=C(NCc1c(F)cccc1F)c1ccc2nsnc2c1 36709847 YGJUVJWPIYZOCO-UHFFFAOYSA-N 305.309 2.900 0 40 DFAB CC(C)NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 78714626 LLQAVLRPURMLLT-ZDUSSCGKSA-N 313.442 2.731 0 40 DFAB COc1ccc2c(CN3C[C@H]4CCCN4C[C@@H]3C)cn(C)c2c1 72324560 FJXBGAWPXSVIFQ-GOEBONIOSA-N 313.445 2.855 0 40 DFAB CCCCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 79095371 RLKRASWWMLCTII-UHFFFAOYSA-N 303.406 2.905 0 40 DFAB Cn1cccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 184236743 XCRIFBUSTZOOPS-CWRNSKLLSA-N 319.449 2.760 0 40 DFAB O=C(c1cccnc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40817576 WJGATPMKVYNPHA-AWEZNQCLSA-N 306.369 2.978 0 40 DFAB O=C(NCCc1cncnc1)Nc1ccc(C(F)(F)F)cc1 225590376 UKXSEYAUQYSGFQ-UHFFFAOYSA-N 310.279 2.860 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)COc2ccccc2C)n1 41122666 SXVHCLJITWTMCQ-CQSZACIVSA-N 315.373 2.819 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)cc1F 87294825 LXJXIKKXEUKINA-SJKOYZFVSA-N 320.364 2.995 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C)c(F)c2)C1 40098034 RIAHNVGMHDGVJM-LBPRGKRZSA-N 308.353 2.941 0 40 DFAB O=C(CCCc1ccccc1)Nc1cccnc1-n1cncn1 63445944 WPESELOAKCKULW-UHFFFAOYSA-N 307.357 2.624 0 40 DFAB Cn1cccc1C(=O)NCc1nccn1CCCc1ccccc1 83006672 GQBIGGPQDQMURM-UHFFFAOYSA-N 322.412 2.784 0 40 DFAB C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(CO)c1 96493950 PCIHNQRUNXMFNN-XJKSGUPXSA-N 320.433 2.839 0 40 DFAB Cc1cc(CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c(C)o1 96431058 VYSKXWYKLNYWCI-SNVBAGLBSA-N 310.394 2.816 0 40 DFAB O=C(NCC1(O)CCSCC1)C1(Cc2ccccc2)CCC1 96466393 XQMDXKIVQDXLPB-UHFFFAOYSA-N 319.470 2.774 0 40 DFAB COc1ccc2nc(CO[C@H]3CN(C4CCC4)C[C@H]3F)[nH]c2c1 96112263 UDSADANIWNCSQW-CJNGLKHVSA-N 319.380 2.663 0 40 DFAB biogenic,in-vitro COc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1OC 95097187 CYXBQMHJEITEQR-UHFFFAOYSA-N 322.386 2.520 0 40 DFAB Cc1ccc(CN2CCn3cc(CN4CCCC4)nc3C2)s1 96197214 GCYQFRIPHBTOGT-UHFFFAOYSA-N 316.474 2.865 0 40 DFAB CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nc(N(C)C)n1 96101156 YVPQGYDUERJNFV-STQMWFEESA-N 304.438 2.784 0 40 DFAB Fc1cccnc1O[C@H]1COC2(CCN(CC3CC3)CC2)C1 96107046 NNHIHVCSMKTBDY-CQSZACIVSA-N 306.381 2.633 0 40 DFAB Cc1cc(=O)c(C(=O)N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(C)C)c[nH]1 230305145 IEJKKFZUGXHYHW-KKUMJFAQSA-N 300.402 2.746 0 40 DFAB Cc1nc(Cn2c3c(ccc2=O)C[C@@H](NC(C)C)CC3)cs1 96196600 KSTIXZFZMCADLH-AWEZNQCLSA-N 317.458 2.517 0 40 DFAB COc1ccc(OC)c([C@H](C)N[C@@H](C(N)=O)c2ccccc2)c1 26221559 RRUBTDMYXBFCHL-YVEFUNNKSA-N 314.385 2.581 0 40 DFAB O=C(c1ccc2ncccc2c1)N1CC[C@H]2NCCCC[C@H]2C1 257292673 QMMYWCFPYFMBLR-FUHWJXTLSA-N 309.413 2.839 0 40 DFAB C[C@H](Oc1cccnc1)C(=O)N1Cc2ccccc2OC[C@@H]1C 272969225 OUAQQAAIGDYIJQ-KBPBESRZSA-N 312.369 2.659 0 40 DFAB O=C(c1ccncc1)N1CCC[C@H](Oc2ccncc2Cl)C1 575605745 SCJJZWCAGVZYHT-ZDUSSCGKSA-N 317.776 2.814 0 40 DFAB CCCCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404863 DYWSCBQRGLRCGH-MRXNPFEDSA-N 313.401 2.863 0 40 DFAB CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1cccnc1 27239352 KLOKJKGLPJPNPP-MDZDMXLPSA-N 309.369 2.872 0 40 DFAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cn1 67831498 ATBLGAYZKNEHKP-LLVKDONJSA-N 306.312 2.752 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 69700191 BXFFTDFARZLZFD-INIZCTEOSA-N 321.384 2.546 0 40 DFAB Clc1ccccc1OCCOc1ccc(-n2cnnn2)cc1 32957882 JYERGKOJFVDOJD-UHFFFAOYSA-N 316.748 2.774 0 40 DFAB Cc1ccc(-c2cccc(NC(=O)CN(C)C(=O)C3CC3)n2)cc1 886983091 MNPYESDKOVWXSR-UHFFFAOYSA-N 323.396 2.864 0 40 DFAB O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CCC2)CC1 58407419 LAVWPIJHUWQOJV-UHFFFAOYSA-N 324.783 2.564 0 40 DFAB CC(=O)Nc1cccc(OCCNC(=O)N2CCCC[C@@H]2C)c1 75127704 CDZOUTPWPTVCFQ-ZDUSSCGKSA-N 319.405 2.608 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)[nH]n1 76041804 XRMYXBJKMCRTHO-UHFFFAOYSA-N 321.340 2.618 0 40 DFAB Cc1ccc(-c2nnc(CCC(=O)N3CCSCC3)o2)cc1 40542102 GRRXJQZQEYYADW-UHFFFAOYSA-N 317.414 2.553 0 40 DFAB CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 5171883 QFRKLOYITAUQRC-HNNXBMFYSA-N 316.788 2.947 0 40 DFAB O=C(C1CC1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)n[nH]1 12115762 NTCAGZQKTHIWAT-CYBMUJFWSA-N 300.337 2.684 0 40 DFAB Cc1cc2nc([C@@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1 19129306 BWFYBIYGZLKPBK-MRXNPFEDSA-N 321.428 3.000 0 40 DFAB Cc1ccc2ncc(CNc3nncn3Cc3ccccc3)n2c1 158972502 GJYPCSXZHMNWJN-UHFFFAOYSA-N 318.384 2.895 0 40 DFAB CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CC 710033076 ZRZMBJGQGQHWRG-LSDHHAIUSA-N 305.374 2.844 0 40 DFAB Cc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1 19236894 HCTZGKRHYFVEPG-UHFFFAOYSA-N 314.370 2.740 0 40 DFAB CCC(=O)Oc1sc(=NCCc2ccccc2)n(C)c1C 575628180 CAISBBBQANHCSW-UHFFFAOYSA-N 304.415 2.854 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2ccccc2)cc1OC 7109323 AGFNQDLPQYFIMF-UHFFFAOYSA-N 307.371 2.895 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2Cl)c1 15243032 IZNGNWDRZNZENX-UHFFFAOYSA-N 317.775 2.901 0 40 DFAB COc1cc([C@H]2NC(=O)c3ccccc3N2C)cc(Cl)c1O 24034633 OACSZXVIXQLYII-HNNXBMFYSA-N 318.760 2.933 0 40 DFAB CSCC[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)O 2414750 HETIVEINKLURSJ-JTQLQIEISA-N 320.773 2.807 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2c1C 7007432 RKOWVDSDVQRRKQ-UHFFFAOYSA-N 314.385 2.764 0 40 DFAB COc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 100072398 OHDHLNWMAPCUNW-YLGOIMDESA-N 309.365 2.953 0 40 DFAB COCc1cnc2n1CCN(C(=O)[C@@]1(C)CC=CCC1)[C@@H]2C 1565555270 DSBQQSBEBVVMCC-DYVFJYSZSA-N 303.406 2.679 0 40 DFAB CCOc1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 4107497 TVGIAHGBJLOGJM-UHFFFAOYSA-N 310.313 2.783 0 40 DFAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc(F)cc1 4520546 DITRHERLQQIVDS-BXUZGUMPSA-N 307.369 2.785 0 40 DFAB Cc1cc2ncc(NC(=O)c3cc(-c4ccccc4)on3)cn2n1 206737549 NBWCXVUIQRQZJZ-UHFFFAOYSA-N 319.324 2.945 0 40 DFAB COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(F)cc1 4275784 FIAPISBJCURITE-UHFFFAOYSA-N 322.317 2.636 0 40 DFAB CC(C)(C)c1cc(NC(=O)CN2CCOc3ccccc32)on1 30594483 QIIQOVNAXHXKOJ-UHFFFAOYSA-N 315.373 2.810 0 40 DFAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1C 32096385 GJQDUPGSCURQKG-KRWDZBQOSA-N 321.384 2.712 0 40 DFAB COc1ccc(C[C@@H]2CCCN2Cc2ccn(C)c(=O)c2)cc1 52133541 FWEKSUSFVWLIRA-KRWDZBQOSA-N 312.413 2.601 0 40 DFAB Cc1ccc(CN(C)C(=O)CCNC(=O)c2ccco2)c(C)c1 32748072 JJMCQOXYJMVZOC-UHFFFAOYSA-N 314.385 2.675 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@@H]1C[C@H]2CC[C@H]1C2 102597915 XNXDJYRGTSBXOO-NAKRPEOUSA-N 315.339 2.993 0 40 DFAB C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)N1CCc2ccccc21 33047504 HJWYTLPPTGIFSU-PSKZRQQASA-N 322.364 2.616 0 40 DFAB COc1cccc(OC)c1OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 167683 BQFMWXUYIDVNHD-ZNMIVQPWSA-N 323.433 2.706 0 40 DFAB Cc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 417841 USKMXZSLPSXIPU-UHFFFAOYSA-N 303.387 2.760 0 40 DFAB Cc1cc(C)cc(-n2nnnc2-c2cn(C)nc2C(F)(F)F)c1 1405878 MUBCSPNQWKADCS-UHFFFAOYSA-N 322.294 2.698 0 40 DFAB C[C@@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccn1 48084410 KUSREBRKWMPHLM-CYBMUJFWSA-N 311.389 2.960 0 40 DFAB CCCCn1nnnc1SCC(=O)Nc1cccc(C)c1 4882924 RXCPFMOYRMTOSJ-UHFFFAOYSA-N 305.407 2.512 0 40 DFAB COc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)C(C)C 8071205 JCDAOQJRZPLCPV-UHFFFAOYSA-N 304.268 2.791 0 40 DFAB CNC(=O)[C@H]1CN(CCCc2ccccc2)c2ccccc2O1 25448464 RGAOWXIJBUMDCM-GOSISDBHSA-N 310.397 2.633 0 40 DFAB CC[C@@H](C)Oc1ccc(NC(=O)NCCn2ccnc2)cc1 56555832 CQPJUQNCTJZUQX-CYBMUJFWSA-N 302.378 2.882 0 40 DFAB O=C(CCc1ccsc1)Nc1cnn(C[C@@H]2CCCO2)c1 56951957 GZOVNPQQDPHHFI-AWEZNQCLSA-N 305.403 2.695 0 40 DFAB COCCn1nc(C)c(CNC(=O)c2c(C)oc(C)c2C)c1C 58162996 SDRLIBGLOOSQKM-UHFFFAOYSA-N 319.405 2.595 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(-n2cncn2)cc1 44890861 RCRSCXMLNPPRDK-QGZVFWFLSA-N 304.353 2.685 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1csc(C2CC2)n1 84736413 NAGSSPVGADPGBU-SWLSCSKDSA-N 307.463 2.757 0 40 DFAB Cc1nc(CNC(=O)N2CCC[C@H]2c2ccncc2)cs1 45342187 DSIAXRBWGREEJS-AWEZNQCLSA-N 302.403 2.893 0 40 DFAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 12851497 NNJJPMMHLOQINZ-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB Cc1cc(C(F)(F)F)n2nc(C(=O)O)c(Br)c2n1 2578477 RQRXSTWXDFFIRV-UHFFFAOYSA-N 324.056 2.517 0 40 DFAB COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)ccc1C 46209198 PSJGLSCJRDIQJC-GFCCVEGCSA-N 324.380 2.989 0 40 DFAB COc1ccccc1C(=O)OCC(=O)N(C)Cc1ccccc1 2646178 NESODEVXQUFXQF-UHFFFAOYSA-N 313.353 2.511 0 40 DFAB CCn1ccc(=O)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 95992177 BCDQZGNPMOEJES-NEPJUHHUSA-N 318.323 2.889 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCc2sccc2C1 12944236 IGFTYVCEOKZMBV-UHFFFAOYSA-N 315.366 2.773 0 40 DFAB Cc1ccc(-c2csc(=O)n2CC(=O)N2CCCC2)cc1 12913523 YGLOTSVZSMZFFF-UHFFFAOYSA-N 302.399 2.508 0 40 DFAB O=C(COc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 9112588 YGJZFWPANKFXRQ-UHFFFAOYSA-N 310.353 2.596 0 40 DFAB CC(C)Nc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 38882794 NMRYJHUUNFUCSW-UHFFFAOYSA-N 320.437 2.959 0 40 DFAB NC(=O)c1csc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 93335723 ZAKHFJQCGOTPOQ-LBPRGKRZSA-N 304.390 2.976 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1ccn[nH]1 96003334 MFBROFSBSXAMHE-JTQLQIEISA-N 311.307 2.718 0 40 DFAB COc1ccccc1CNC(=O)NCc1ccccc1OC 13944153 UWWAUHILHPCNSC-UHFFFAOYSA-N 300.358 2.703 0 40 DFAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCOCC1 6346995 PDYAXKQZEMSVDB-UHFFFAOYSA-N 319.364 2.769 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 14159106 SXCFSGGTHKALHL-HNNXBMFYSA-N 312.369 2.634 0 40 DFAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)nc1 5488756 KBLYSXHEDDBLRG-UHFFFAOYSA-N 308.341 2.512 0 40 DFAB CCc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 6533299 RPCORMIEUQGVTF-VIFPVBQESA-N 302.403 2.567 0 40 DFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 5555959 NVYLIFPIUWMMMH-MRXNPFEDSA-N 321.332 2.977 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 5516107 ZIVWVCKVTNSBDL-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccccc2)no1 6609309 BCVUFSQIRXYVIK-UHFFFAOYSA-N 321.258 2.965 0 40 DFAB COc1cc(F)ccc1N(C)C(=O)c1cc(C(C)C)n(C)n1 95405781 MCBJYUJGTHPVIQ-UHFFFAOYSA-N 305.353 2.968 0 40 DFAB O=C1O[C@@H]2[C@H]3C[C@H]([C@H](C(=O)O)[C@@H]13)[C@H]2Sc1ccc(Cl)cc1 15079696 YEQLLKPKQRZMFA-LIBFEPKXSA-N 324.785 2.693 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C)CC3)ccc12 15281027 KIMRIVWMWLDRQN-UHFFFAOYSA-N 315.369 2.739 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(c2c(N)cccc2F)CC1 67800740 FRAXIPXMXJWFDH-UHFFFAOYSA-N 309.385 2.901 0 40 DFAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@H](C2CC2)C1 83735057 ADPZYFYTKLBPAK-KKUMJFAQSA-N 317.437 2.689 0 40 DFAB CCc1ccc(C(=O)N2CCC(c3nncn3CC)CC2)cc1 68487857 WQUWUNBSCKNFHV-UHFFFAOYSA-N 312.417 2.880 0 40 DFAB CNc1nnc(SCc2cc(F)cc3c2OCOC3)s1 8251496 VIIJSGSNBDSLHH-UHFFFAOYSA-N 313.379 2.878 0 40 DFAB COc1ccc([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)cc1 69393043 ONLHGUCYMSMYTN-AWEZNQCLSA-N 309.431 2.757 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 71827110 HIBRRMJCUVJOKD-AWEZNQCLSA-N 317.364 2.857 0 40 DFAB O=C(CCc1ccsc1)N1CCCC[C@H]1Cn1cccn1 71865032 JCULDDRVBQFGGO-HNNXBMFYSA-N 303.431 2.959 0 40 DFAB Cc1ccc(-c2nc(CCNc3ncnc4[nH]ncc34)co2)cc1 69512413 LRPUAKPFEBCITB-UHFFFAOYSA-N 320.356 2.971 0 40 DFAB O=C(CCn1ccnc1)N[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 69667958 NZZQWKSWRSTVRO-KBPBESRZSA-N 323.318 2.964 0 40 DFAB CC[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1CCOC 69976750 IBLHEHBICCCLTK-CQSZACIVSA-N 309.454 2.515 0 40 DFAB CC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1 8750282 RBYJLUILCOBLEU-UHFFFAOYSA-N 315.398 2.771 0 40 DFAB CCOC(=O)C1(C)CCN(Cc2noc3c2CCCC3)CC1 92824767 YWGTUAXZPLXXPF-UHFFFAOYSA-N 306.406 2.719 0 40 DFAB Cc1nc(C(=O)N(C)c2ccccc2)nn1-c1ccc(F)cc1 84280501 FNESAQRVVGZAGF-UHFFFAOYSA-N 310.332 2.991 0 40 DFAB CC(C)[C@@](C)(O)CNC(=O)CSc1ccc2c(c1)CCC2 72304289 LVQCALGNRZDSDB-KRWDZBQOSA-N 307.459 2.791 0 40 DFAB Cn1c(NC(=O)CCc2cncc(F)c2)nc2cc(F)ccc21 97230820 PTWNXQAKEIMZLQ-UHFFFAOYSA-N 316.311 2.818 0 40 DFAB Cc1ncsc1C(=O)NC[C@@H](O)c1ccc(Cl)s1 75272233 YRQIRYYDHQATCO-SSDOTTSWSA-N 302.808 2.630 0 40 DFAB CC[C@@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1O 89948605 ATHQUTRGQKOVQF-DOMZBBRYSA-N 309.431 2.557 0 40 DFAB C[C@@H](Cc1cccc(F)c1)NC(=O)NC[C@](C)(O)c1ccco1 76087712 JGEAUKWUEDYRHR-SJCJKPOMSA-N 320.364 2.557 0 40 DFAB C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cncn1 24761533 HOOJYTXMOBAJAB-ZETCQYMHSA-N 316.695 2.733 0 40 DFAB Cn1cc(C(C)(C)NCc2cc(-n3ccnc3)cs2)cn1 547413746 RPKXXBKRTFQXBP-UHFFFAOYSA-N 301.419 2.692 0 40 DFAB O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[nH]nn1 121753176 UDFSAKOHKYUYGN-JQWIXIFHSA-N 324.306 2.890 0 40 DFAB CCOC(=O)[C@@H]1C[C@H]2C(=O)CCCC[C@@H]2N1Cc1ccccc1 219774991 BHSQQNRNUQVUSQ-IKGGRYGDSA-N 315.413 2.952 0 40 DFAB O=C(C[C@H]1C=CCC1)OC1CCN(c2ccc(Cl)nn2)CC1 78988992 HUQJFKMTQHGNCC-LBPRGKRZSA-N 321.808 2.998 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239271 HKXBPNCSQFPAJM-UHFFFAOYSA-N 309.391 2.664 0 40 DFAB C[C@@H](c1cnccn1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 72203841 KMIPOVWNURJNBE-ZDUSSCGKSA-N 320.437 2.869 0 40 DFAB Cc1noc([C@H]2CCCN([C@@H](C(=O)O)c3ccccc3C)C2)n1 565104049 MICRYFFMMYHJDN-DZGCQCFKSA-N 315.373 2.692 0 40 DFAB c1csc([C@H](CN[C@H]2CCCSC2)N2CCOCC2)c1 195558438 OMDXQGGUSCBCKJ-KBPBESRZSA-N 312.504 2.607 0 40 DFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)c2ccccc2)c1 223837438 CJNDTMBNYJGCJR-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21 96060385 XANRNCSWJYFNTD-CQSZACIVSA-N 303.381 2.695 0 40 DFAB CCCC[C@H](CC)CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 96409494 HUOCZLUQBGYVTG-LSDHHAIUSA-N 309.454 2.609 0 40 DFAB CCC(=O)N1CC[C@@H](NC(=O)Nc2c(C)cccc2Cl)C1 97095244 DWVSXYVGOZONIT-LLVKDONJSA-N 309.797 2.781 0 40 DFAB COC(=O)[C@@H](NCc1c[nH]nc1C)c1ccc2ccccc2c1 97102481 WDWZHXHLHVPQTE-KRWDZBQOSA-N 309.369 2.875 0 40 DFAB COc1ccc(CNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c(OC)c1 96439136 FCNOVOWIVXSHFC-GJZGRUSLSA-N 316.401 2.811 0 40 DFAB COc1ccc2c(c1)CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2 90548357 RNMUFHRLLMSOHE-QGZVFWFLSA-N 321.373 2.532 0 40 DFAB CC1(C)CC(=O)N(CC(=O)NCc2ccco2)c2ccccc21 96183197 JXZZXVQRSHNCER-UHFFFAOYSA-N 312.369 2.610 0 40 DFAB CCC(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 96207240 IEEGBTLVVRUHLT-HNNXBMFYSA-N 318.417 2.516 0 40 DFAB O=C(CCc1cccc(Br)c1)Nc1cccnn1 96445004 FJLBFKYZDXOVNB-UHFFFAOYSA-N 306.163 2.810 0 40 DFAB CC(F)(F)C1(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)CC1 1592935466 GSOOXAMECNARHB-NEPJUHHUSA-N 309.312 2.851 0 40 DFAB CS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc(Cl)cc1 96519620 ZNRYIEODYLNOBL-MRVPVSSYSA-N 303.594 2.549 0 40 DFAB Cc1nn(C)c(C)c1-c1nnc2sc(-c3cccs3)nn12 95475898 QXKNVCSQMUKYBO-UHFFFAOYSA-N 316.415 2.932 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(C)CC1 96241783 HMFTXKJUUBUJHX-MRXNPFEDSA-N 301.434 2.674 0 40 DFAB CCOC(=O)[C@@H](CN)[C@@]1(N2CCCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242750678 ZVWBFUVUIJMJET-LTDCPUDJSA-N 322.493 2.805 0 40 DFAB Cc1noc(C)c1CC(=O)NC(C)(C)COCc1ccccc1 252490708 KZIOHRKDRDWOHQ-UHFFFAOYSA-N 316.401 2.946 0 40 DFAB CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2ccncc2)ccn1 257256703 KMMRMSDYPCHFRA-RTRPANQVSA-N 322.412 2.920 0 40 DFAB O=C(N1CCC[C@H](c2cnccn2)C1)C1(c2ccccc2)CC1 585180219 LYDFJTOZYLYTLW-HNNXBMFYSA-N 307.397 2.914 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N[C@H](C)CCN(C)C)s1 71907649 GXFWDVIOPQUAAC-MRVPVSSYSA-N 306.378 2.728 0 40 DFAB CS(=O)(=O)C1(C(=O)N(Cc2ccccc2)C2CC2)CCCC1 76386359 FIPGANDFPCYHJL-UHFFFAOYSA-N 321.442 2.535 0 40 DFAB CC1(C)CN(C(=O)Nc2cccc3[nH]ccc23)CC[S@]1=O 84673649 SSAUMBXIMMPPKE-NRFANRHFSA-N 305.403 2.543 0 40 DFAB CCCC[C@H](Nc1nc(N)c2cnn(C)c2n1)c1cccnc1 1529186236 AYAYOWFYJDQVGX-ZDUSSCGKSA-N 311.393 2.684 0 40 DFAB Cc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 5675083 FZEZUQSXHULXAF-UHFFFAOYSA-N 321.380 2.514 0 40 DFAB O=C(/C=C\c1ccccc1)N[C@@H]1C=Nc2ccccc2NC1=O 5664449 LSUDSJYYPAHXFJ-BLIJAFNYSA-N 305.337 2.539 0 40 DFAB COc1cccc(-c2cc(CC(=O)NCc3cccnc3)no2)c1 12634069 DDEWBOXLCGVDHH-UHFFFAOYSA-N 323.352 2.604 0 40 DFAB O[C@@H](c1ccccc1)C1(CNC2CCC3(CC2)OCCO3)CC1 156870224 RYXPZJOICCHHGM-KRWDZBQOSA-N 317.429 2.776 0 40 DFAB O=S1(=O)C[C@H](NCc2ccc(Cl)cc2)c2ccccc21 35688296 YLZUETFWBBYKIT-AWEZNQCLSA-N 307.802 2.958 0 40 DFAB O=C(NC1CCCCC1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374060 TZGAYUWNWZIWOL-CQSZACIVSA-N 319.380 2.563 0 40 DFAB COc1ccccc1Nc1nnc(Cc2ccc(C)cc2)c(=O)[nH]1 5154332 YPYFFWZHMROEEO-UHFFFAOYSA-N 322.368 2.816 0 40 DFAB CNC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl 38828577 NWKCNRCSNJMSBZ-UHFFFAOYSA-N 308.790 2.942 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)NC(=S)N1C 8829366 RLSOWXJJZQEWFN-AWEZNQCLSA-N 304.415 2.773 0 40 DFAB Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)nc2)cc1 31315008 YWFKGHMJWHALGB-UHFFFAOYSA-N 309.413 2.849 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 40526849 POOOZYLPOINTPJ-JTQLQIEISA-N 312.316 2.772 0 40 DFAB CCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 339890 JZDJBRGCSCRDAR-ORAYPTAESA-N 309.365 2.760 0 40 DFAB CCOCc1c(C(=O)O[C@H]2C[C@@H](C)OC2=O)oc2ccccc12 32736523 KXFYWLFFYSRCPI-YGRLFVJLSA-N 318.325 2.830 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1cccs1 32978449 HZAOCROUTXFMMR-UHFFFAOYSA-N 303.383 2.720 0 40 DFAB CN1CCN(Cc2ccccc2C(=O)c2cccc(F)c2)CC1 22028175 VWRXMBUMYYPGFL-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2cccnc2)n1 41687675 NYRFVZYMCFBURQ-LBPRGKRZSA-N 302.378 2.788 0 40 DFAB Cc1cc(C(=O)NCc2ccncc2)c(C)n1CC(F)(F)F 53754132 GFERCHZNZQHLQT-UHFFFAOYSA-N 311.307 2.992 0 40 DFAB CC1CCN(C[C@@H](C)OC(=O)c2ccc3c(c2)OCCO3)CC1 808189 NNQDMHCMCLVAKP-CQSZACIVSA-N 319.401 2.735 0 40 DFAB aggregator O=S1(=O)CC[C@@H](NCc2cccc(-c3ccccc3)c2)C1 54153329 FEQAKKNIKZBLGY-QGZVFWFLSA-N 301.411 2.630 0 40 DFAB COc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1 300579 RHKUSBGSUGXSIW-UHFFFAOYSA-N 302.418 2.786 0 40 DFAB COc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1C 1332756 JEDADXJNTRTRGU-LLVKDONJSA-N 305.403 2.762 0 40 DFAB CCc1nnc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)s1 42567461 LHOCXAKYCOHKSQ-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc2ccccc2cc1O 24075079 VPCPMGDGESQSNC-UHFFFAOYSA-N 314.385 2.532 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c(O)c1 24183140 BMAOKISMEXQSMW-SECBINFHSA-N 303.280 2.815 0 40 DFAB C[C@@H](NC(=O)N1CCSCC1)c1ccc(-n2ccnc2)cc1 43148675 VWLYGYCZDCOSMP-CYBMUJFWSA-N 316.430 2.692 0 40 DFAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc(Cl)ccc1O 4808596 WLQCHCUPTOJNMQ-SNVBAGLBSA-N 311.765 2.603 0 40 DFAB O=C(NCc1ccccc1)C1CCN(Cc2cscn2)CC1 24859544 LRAGPLVMLICSPN-UHFFFAOYSA-N 315.442 2.672 0 40 DFAB CCCCOc1ccc(C(=O)Nn2c(C)nnc2SC)cc1 6635658 MGZNNTKXWXHCQO-UHFFFAOYSA-N 320.418 2.871 0 40 DFAB Cc1n[nH]c2c1[C@@H](c1ccc(C(=O)O)cc1)S[C@@H](C)C(=O)N2 6678620 VIUJDZQTLHEOAO-QPUJVOFHSA-N 317.370 2.580 0 40 DFAB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccnc2)N(C)C3=O)c1 6747826 XWWKPGBWQYXPBX-QGZVFWFLSA-N 320.352 2.655 0 40 DFAB Nc1nc2ccc(C(=O)NCCc3cccs3)cc2s1 87954791 JQQOSSGHXFZTHS-UHFFFAOYSA-N 303.412 2.913 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)N[C@H]1CCO[C@]2(CCSC2)C1 95426910 GTAISRCMXPZVBH-IJEWVQPXSA-N 310.463 2.697 0 40 DFAB Cn1ccnc1[C@H](OC(=O)c1cccc2cn[nH]c12)C(F)(F)F 56229787 XOYOOXHKNFYVMD-NSHDSACASA-N 324.262 2.757 0 40 DFAB NC(=O)CC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 48026420 RGLVSSWIECLVIQ-UHFFFAOYSA-N 322.359 2.519 0 40 DFAB C[C@H](O)[C@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 108351878 UEVXKHUFKCEPTJ-GUBZILKMSA-N 310.337 2.951 0 40 DFAB Cc1ccc(NC(=O)c2ccn(C)c(=O)c2)c(Br)c1 44597840 KUYFVUXDGNUADI-UHFFFAOYSA-N 321.174 2.709 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc[n+]([O-])cc1 44687647 WZDBWXFWVLYVFT-AWEZNQCLSA-N 300.358 2.665 0 40 DFAB O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1 44874463 AWDFDDBRVVZPFZ-UHFFFAOYSA-N 322.412 2.604 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)c1 12613422 VGNXXLLCUALVQO-UHFFFAOYSA-N 324.428 2.703 0 40 DFAB COc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1OC 58216206 ZPXIDZPSWFRWPM-UHFFFAOYSA-N 303.362 2.977 0 40 DFAB CCCc1nc(N2C[C@H](C)O[C@H](C)C2)c2c(n1)c(C)nn2CC 57355852 JCAJUISQFLLRHX-TXEJJXNPSA-N 317.437 2.721 0 40 DFAB C[C@@H](c1cnccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 100191331 PKYBOILXNQBIFL-KBPBESRZSA-N 320.437 2.774 0 40 DFAB COc1ccc([C@@H](NC(=O)N2CCSCC2)C2CC2)cc1 45316958 XKHNUFXWCAVVNT-HNNXBMFYSA-N 306.431 2.905 0 40 DFAB Nc1nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n[nH]1 3310460 MSWFLIMSSWSEPD-UHFFFAOYSA-N 322.393 2.933 0 40 DFAB CCc1noc(C)c1C(=O)N(C)Cc1ncc(C)c(OC)c1C 58958268 ODLZNUHQAYQFIB-UHFFFAOYSA-N 317.389 2.838 0 40 DFAB CN(C)CCOc1cccc(CNC(=O)Cc2cccs2)c1 58922458 IVOFGTPMOBSJPE-UHFFFAOYSA-N 318.442 2.547 0 40 DFAB CCOc1ccc(NC(=O)c2ccnn2C(C)C)cc1CO 95447808 RKCUFYDOQACBJK-UHFFFAOYSA-N 303.362 2.607 0 40 DFAB CC(C)n1ncc2cc(NC(=O)CCc3cccnc3)cnc21 29066251 BUISIZUNLJZCPW-UHFFFAOYSA-N 309.373 2.979 0 40 DFAB Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CC1 2524038 YMPCJBHIFNBTIS-UHFFFAOYSA-N 324.356 2.702 0 40 DFAB CCc1nnc(CN2CCC[C@@H]2c2ccc(OC)cc2OC)o1 29699935 CFXQBLKVTWWXCA-CQSZACIVSA-N 317.389 2.986 0 40 DFAB O=S(=O)(NCC1(c2ccccc2)CC1)c1cc(F)ccc1F 11901482 FMWQOZWQPBEZLO-UHFFFAOYSA-N 323.364 2.975 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1C 28249580 VQETXUFZBZKKDC-UHFFFAOYSA-N 301.371 2.981 0 40 DFAB COc1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1F 2619876 OBYUMJLDRVPFKT-DIFFPNOSSA-N 320.364 2.835 0 40 DFAB COc1cc(NCC(=O)N2CCCCC2)c(OC)cc1Cl 60880382 QKJVSZICPDFOFW-UHFFFAOYSA-N 312.797 2.782 0 40 DFAB CCCCN1C(=O)S[C@H](Nc2ccccc2C(=O)O)C1=O 12113070 IWDKLBNJEICMLY-NSHDSACASA-N 308.359 2.618 0 40 DFAB CCc1noc(C)c1C(=O)N1CCOc2ccc(OC)cc21 72528066 ITGJMIDOUPMWRF-UHFFFAOYSA-N 302.330 2.593 0 40 DFAB O=C1c2ccncc2C(=O)N1c1ccccc1Br 22073221 IBWADWPEVAKFOX-UHFFFAOYSA-N 303.115 2.645 0 40 DFAB CS(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 12978911 LIXXBPPWMFCENT-UHFFFAOYSA-N 307.415 2.710 0 40 DFAB CN1C(=O)C[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)cc1 95440522 FSULQBPVOMNTFJ-UKRRQHHQSA-N 318.373 2.589 0 40 DFAB Cc1ccccc1CC(=O)N1CC[C@@]2(C1)CN(C)c1cccnc12 306140812 VENQIOGSPMMMEO-FQEVSTJZSA-N 321.424 2.553 0 40 DFAB COCCOCCCC(=O)NCC(C)(C)c1cccc(C)c1 62929719 RWTCYVSDNHILII-UHFFFAOYSA-N 307.434 2.832 0 40 DFAB COc1ccc(CCCN(C)CC2CCOCC2)cc1OC 95396203 KCUJRMGPTSPUKX-UHFFFAOYSA-N 307.434 2.995 0 40 DFAB O=C([C@@H]1CCCOC1)N1CC[C@H](OCCCc2ccccc2)C1 95408989 KNEYYHUMMWLKPR-MSOLQXFVSA-N 317.429 2.663 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)c2cccc3ccccc23)no1 96000917 VLOVXTMOWQMZMQ-INIZCTEOSA-N 323.352 2.745 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)NCC[C@H]1CCCCO1)CO2 96002197 OSUNOWWYZRTRFF-HIFRSBDPSA-N 304.390 2.687 0 40 DFAB Cc1cc(NC(=O)NC(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 4130760 XPNYHNOTNGXOQK-UHFFFAOYSA-N 312.251 2.699 0 40 DFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nncn1C 6049375 MZOXGTVRKBDZJG-JHJVBQTASA-N 311.451 2.911 0 40 DFAB CCCCc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392604 QYLIOHBZXSHRMO-AWEZNQCLSA-N 309.431 2.793 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)c(C)c1 4385113 QOJDKLQXBDBTKK-LBPRGKRZSA-N 315.398 2.752 0 40 DFAB Cc1nnc2ccc(C(=O)Nc3ccc4ccccc4n3)cn12 65489156 JDHFMSBZAKDQGE-UHFFFAOYSA-N 303.325 2.838 0 40 DFAB CCCn1nc(NC(=O)COC)c2cc3ccc(C)cc3nc21 9332499 RSIKJHLNGSJCKV-UHFFFAOYSA-N 312.373 2.888 0 40 DFAB Cc1cc(N)nc(SCc2noc(-c3ccc(F)cc3)n2)n1 65552165 MMMIWFCHJWCDTF-UHFFFAOYSA-N 317.349 2.849 0 40 DFAB NC(=O)c1ccc(COC(=O)c2cccc3ncccc23)cc1 14366720 TXMMOSMHVSZBHP-UHFFFAOYSA-N 306.321 2.691 0 40 DFAB O=C(NC1CCCC1)C1CCN(Cc2cccc(O)c2)CC1 4700106 KNYHGJXXMDLXBM-UHFFFAOYSA-N 302.418 2.663 0 40 DFAB O=C(CCCn1c(=O)oc2ccccc21)OCc1ccccn1 5638051 CWTCJBCCZUHPLI-UHFFFAOYSA-N 312.325 2.513 0 40 DFAB COc1ccccc1C[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 66742626 ZEJSYFQTVWPMFL-PBHICJAKSA-N 303.402 2.655 0 40 DFAB O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc2c(c1)CCC2 4931821 SFSNPKWNFAQPGD-UHFFFAOYSA-N 323.179 2.922 0 40 DFAB O=C(COCC1CC1)NCc1ccc(Br)cc1F 71894365 WGGCRXRPGBFCJE-UHFFFAOYSA-N 316.170 2.631 0 40 DFAB CC(C)c1ccccc1OCCNC(=O)NC[C@H]1CCOC1 71897678 CFJIXCKHEYMGQV-CQSZACIVSA-N 306.406 2.525 0 40 DFAB Cc1ccc(F)cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 68112124 PWIVNYFYEYWTGI-ZDUSSCGKSA-N 324.421 2.564 0 40 DFAB O=C(Nc1cccnc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 16499662 ZUULDQLZUJWKDC-AWEZNQCLSA-N 324.384 2.964 0 40 DFAB C[C@@](O)(CNC(=O)N[C@H]1CCCc2ccccc21)c1ccco1 73432938 XVTVKXQTLDCVJN-MAUKXSAKSA-N 314.385 2.864 0 40 DFAB COc1ccc(CNC(=O)CNc2ccc(F)cc2F)cc1 8263297 WZBHADZVHZARFV-UHFFFAOYSA-N 306.312 2.702 0 40 DFAB COCCOc1ccc(C(=O)N2CCSC(C)(C)C2)cc1 81925311 HRFDCFBCLUQILD-UHFFFAOYSA-N 309.431 2.679 0 40 DFAB CC(C)N(C)CCNC(=O)c1ccc(Oc2cccnc2)cc1 69420990 IKOFCNNCABHKJY-UHFFFAOYSA-N 313.401 2.944 0 40 DFAB CC(C)N(C)Cc1ccccc1CNc1ncnc2nc[nH]c12 69508918 BNNLLLIAYSLFPN-UHFFFAOYSA-N 310.405 2.805 0 40 DFAB Cc1ocnc1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 69511490 NLNJLXDIZOHAFG-NSHDSACASA-N 313.357 2.601 0 40 DFAB Cc1cc2occ(CC(=O)N3CCn4c(C)nnc4C3)c2cc1C 69665420 KMMJFBWTVAJZJP-UHFFFAOYSA-N 324.384 2.534 0 40 DFAB COC[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 83992752 TZMJUJBYBPHYGB-CQSZACIVSA-N 319.426 2.887 0 40 DFAB COCCN(Cc1cccnc1)C(=O)c1cc(F)c(C)cc1F 84077288 FHBIUEPYSQTNSI-UHFFFAOYSA-N 320.339 2.957 0 40 DFAB CCCOc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9835560 DVXIFMXDWJMVQR-UHFFFAOYSA-N 314.385 2.711 0 40 DFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2)n1 84114758 XBSCMEUVCOQWFX-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB COC(=O)N[C@H](CC(C)C)C(=O)OCc1cc(Cl)ccn1 72289662 MZNURFNSCCLJPU-GFCCVEGCSA-N 314.769 2.549 0 40 DFAB C[C@@H](Oc1ccccc1NC(=O)NCCO)c1ccccc1 72286360 DPKAEZMFUNLTBV-CYBMUJFWSA-N 300.358 2.940 0 40 DFAB C[C@H]1CN(c2ccccc2CN[C@@H]2CCC[C@@H]2CO)C[C@@H](C)O1 88734976 WEKKKTHQGYHMKR-CYGHRXIMSA-N 318.461 2.551 0 40 DFAB CCc1sc(=O)n(Cc2nnc(C)o2)c1-c1ccccc1 89282502 WBTVTSTZKBYATG-UHFFFAOYSA-N 301.371 2.879 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 89410465 ZGTVOTLSJJCTGE-CHWSQXEVSA-N 316.323 2.605 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc(COC)cc2)[C@@H](CC)C1 89948920 CXFHDWBDWYKHKH-ZWKOTPCHSA-N 318.461 2.960 0 40 DFAB NC(=O)c1cc([C@H]2CCCN(Cc3ccc(Cl)s3)C2)[nH]n1 76060190 AGMYNEQAUNURLY-VIFPVBQESA-N 324.837 2.603 0 40 DFAB CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)c(OCC)c1 409033065 KUHVIRMPCRBGGV-LCYFTJDESA-N 320.414 2.514 0 40 DFAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 521252958 QDSQLKZOLISZOJ-DTWKUNHWSA-N 301.173 2.656 0 40 DFAB CCOc1cc(C)c(/C=C2/NC(=S)NC2=O)cc1C(C)C 408852576 LGROZITYOMGFFC-MDWZMJQESA-N 304.415 2.862 0 40 DFAB CC(C)=CC(=O)OC1CCN(C(=O)c2ccccc2F)CC1 78989076 WKRBANWJJXKNMV-UHFFFAOYSA-N 305.349 2.940 0 40 DFAB CN(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCC1 30853211 BNHYEPYNPARRGU-UHFFFAOYSA-N 300.402 2.824 0 40 DFAB c1ccc(N2CCC[C@H]2c2cncc(CN3CCOCC3)n2)cc1 72387952 HPFKIMAFNMQPKQ-IBGZPJMESA-N 324.428 2.650 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)CSCc1ccccc1)C2 70971713 NJTKWXQBEINAOS-UHFFFAOYSA-N 321.442 2.531 0 40 DFAB C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccccn1 72392188 LVKQHIAHIJOJOT-CQSZACIVSA-N 306.369 2.817 0 40 DFAB CCOc1cc(NCc2ccc(-n3nc(C)cc3C)nc2)ncn1 121738867 ITSSNBQJXFWCCS-UHFFFAOYSA-N 324.388 2.685 0 40 DFAB Cc1ccc(CNCCOc2ccc(S(C)(=O)=O)cc2)cc1 78602408 UMOUBGGFMKXIJU-UHFFFAOYSA-N 319.426 2.567 0 40 DFAB CCn1nc(C)c([C@@]23C=C(O)C(=O)N2c2ccccc2N3)c1C 36612435 AVBMFFOIOLDHQQ-QGZVFWFLSA-N 310.357 2.587 0 40 DFAB Cc1nc(C)c(COC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 78446184 RTXDUSFGPWMLLZ-LBPRGKRZSA-N 316.382 2.929 0 40 DFAB COC(=O)c1c(F)cccc1NC(=O)[C@@H](OC)c1ccccc1 183780503 IZOUBOCKCHOTJE-HNNXBMFYSA-N 317.316 2.939 0 40 DFAB CCc1ccccc1NC(=O)CNc1ccc(SC)nn1 79052314 CAFXBCGFXABJCM-UHFFFAOYSA-N 302.403 2.812 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 566680294 DRQYFPVACXHHDN-IUODEOHRSA-N 321.348 2.555 0 40 DFAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1CC 222807420 QRDJJQVZQRTRET-CABCVRRESA-N 300.431 2.895 0 40 DFAB C[C@@]1(C(=O)NCCc2ccco2)CC(c2ccc(F)cc2)=NO1 226749111 CHTOBYDNRMWOAB-KRWDZBQOSA-N 316.332 2.661 0 40 DFAB O=C(NCc1cccnc1-c1cccs1)NC1CCOCC1 225762457 XOSYDFGRKWHOEB-UHFFFAOYSA-N 317.414 2.788 0 40 DFAB COc1cccc(Oc2ccc(NC(=O)NC[C@@H](C)O)cc2)c1 191867718 DCJNUQIYJSXJSS-GFCCVEGCSA-N 316.357 2.990 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225794585 AJHRLLPGKNJSKH-INIZCTEOSA-N 309.362 2.626 0 40 DFAB Cc1ccccc1OCc1ncc(C(=O)O)c(NC(C)C)n1 49469532 XAELUGHEYLNWEZ-UHFFFAOYSA-N 301.346 2.883 0 40 DFAB COC(=O)C1CCN(Cc2cccc(Br)c2)CC1 42205998 KRXXWDPGEACKHD-UHFFFAOYSA-N 312.207 2.834 0 40 DFAB CC(C)CC(=O)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225482895 JPODUFYYQDTCJM-AWEZNQCLSA-N 302.374 2.790 0 40 DFAB biogenic,in-vitro CCCc1cc(C(=O)N2CCOC[C@H]2c2ncon2)sc1C 331588545 KNVKMJQJYRXJID-LBPRGKRZSA-N 321.402 2.606 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1 96658933 CYNQKSGEEHYNLG-UHFFFAOYSA-N 319.426 2.833 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 96229684 UDBAOCLXYZWSHO-LJQANCHMSA-N 314.429 2.866 0 40 DFAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(C)c2)c1 145521397 GQHDTNGTQULLNJ-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4ccco4)C[C@H]3C2)c1 96053846 GEQMYQMFNMOKHV-IYBDPMFKSA-N 300.377 2.983 0 40 DFAB Cc1ccc(S(=O)(=O)CCCOc2cc(C)c(C)nn2)cc1 91584805 XDFLKPSZGDJZTH-UHFFFAOYSA-N 320.414 2.645 0 40 DFAB CC(C)OCCS(=O)(=O)N1CCC[C@H]1c1ccsc1 96451018 VURVFYHNYWTYBX-ZDUSSCGKSA-N 303.449 2.640 0 40 DFAB COc1ccc([C@@H](C)CCNC(=O)[C@@H](C)n2cccn2)cc1 96423365 PMLYWYZEFZUDNN-UONOGXRCSA-N 301.390 2.763 0 40 DFAB Cc1nc([C@@H]2CCCNC2)nc2c1CCCN2Cc1ccccn1 257310085 UDQCYEHUSKRQMT-OAHLLOKOSA-N 323.444 2.600 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)no1 257242044 IAVHIUOVLFTKDY-GFCCVEGCSA-N 302.378 2.678 0 40 DFAB Cc1cccc(C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 257232365 GKOQDPMWZIPCTH-HNNXBMFYSA-N 302.418 2.598 0 40 DFAB O=C(c1nccc2ccccc12)N1CC[C@H]2NCCCC[C@@H]2C1 257277724 NZDCMEGGDUAOLO-NVXWUHKLSA-N 309.413 2.839 0 40 DFAB COc1ccc(Cn2c(N)nc3c(Cl)ccnc32)c(OC)c1 585673014 ZUWMLUYSIUXVIM-UHFFFAOYSA-N 318.764 2.732 0 40 DFAB CC[C@@H](C)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585103545 DIMFENARPZFDBJ-KDOFPFPSSA-N 320.408 2.680 0 40 DFAB Cc1noc([C@@H](C)N2CCN([C@H](C)c3cccc(F)c3)CC2)n1 69376311 FHJDPOGJIBPMOZ-CHWSQXEVSA-N 318.396 2.957 0 40 DFAB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc2C1 698520446 GSVAHSWZNQPOSH-CABCVRRESA-N 319.401 2.858 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cn1 72272043 FEHYUTMWIIRGRV-MELADBBJSA-N 316.430 2.734 0 40 DFAB CO[C@]1(C)C[C@H](NC(=O)N[C@H](C)c2c(C)noc2C)C1(C)C 74223278 KWLCCAHEDVDRDJ-RCAYSMOQSA-N 309.410 2.855 0 40 DFAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1cccc2cccnc12 40466703 LAKNPOSKMZTTDI-LLVKDONJSA-N 317.414 2.950 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cn1 57362480 VAAQEIJNNOAJJT-SECBINFHSA-N 302.355 2.601 0 40 DFAB O=S(=O)(Nc1nccs1)c1ccc(C(F)(F)F)cc1 60944412 HXJRXJATIVORIM-UHFFFAOYSA-N 308.306 2.963 0 40 DFAB O=S(=O)(N1CCC[C@H]1c1ccco1)N1CCC[C@@H]1C1CC1 78880809 FSSIIZOJZWMNRX-KGLIPLIRSA-N 310.419 2.536 0 40 DFAB CCc1noc(CC)c1CNC(=O)[C@H]1COc2ccccc21 87433894 CRNGIQYKTDOAMB-ZDUSSCGKSA-N 300.358 2.592 0 40 DFAB O=C(NC[C@@H](O)c1cccs1)c1cc(F)c(F)c(F)c1 89799948 RMNQPPQHOYGATQ-SNVBAGLBSA-N 301.289 2.629 0 40 DFAB CC(C)(C)OC(=O)N[C@H](CCc1ccc(F)c(F)c1)C(=O)O 95749192 XYJGGWJIBUIBMY-GFCCVEGCSA-N 315.316 2.875 0 40 DFAB CCc1ccc2c(CC(=O)N[C@@H]3CCc4nccn4C3)coc2c1 97197558 AXYCTLKXFRTHPS-OAHLLOKOSA-N 323.396 2.865 0 40 DFAB Cc1cc2cc(NS(=O)(=O)c3cn(C)nc3C)ccc2o1 12117109 BWVONUFHUDSGRU-UHFFFAOYSA-N 305.359 2.584 0 40 DFAB Cc1cccc2c(=O)c(NC(=O)NCCc3ccncc3)c[nH]c12 13565894 GXCJWWYINXJRIF-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB CCN(CC)CCN(C)CC(=O)Nc1cccc(Cl)c1C 19366451 XDWLZTCEOPEUBO-UHFFFAOYSA-N 311.857 2.861 0 40 DFAB O=C(OC/C=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12 7123459 IGEXAOHIQLFLEZ-RMKNXTFCSA-N 306.321 2.793 0 40 DFAB NNc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 226312626 GJFKIRHYDXCQOF-UHFFFAOYSA-N 314.370 2.599 0 40 DFAB CN(C)CC(C)(C)CNC(=O)c1ccc(Br)cc1 19507486 DGCSFIDPMZTWOO-UHFFFAOYSA-N 313.239 2.767 0 40 DFAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(F)cc2)c1 5510460 IKTJYIVMPPSARN-UHFFFAOYSA-N 316.332 2.545 0 40 DFAB Cc1ccccc1Cn1cc(CNC(=O)OC(C)(C)C)nn1 849134999 AOCURMJCXQDIAY-UHFFFAOYSA-N 302.378 2.660 0 40 DFAB CCN(CC)CCSc1nc2c3ccccc3ncn2n1 24841779 KZTABVIBJBTYQB-UHFFFAOYSA-N 301.419 2.711 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cccc2c1-c1ccccc1C2=O 96191928 VPXQXXDVDTWSFV-GFCCVEGCSA-N 307.349 2.807 0 40 DFAB CCOc1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1OC 30058172 FRCIBHWRDGCTNP-XNTDXEJSSA-N 323.348 2.905 0 40 DFAB O=C(NCc1ccc(F)cc1)NC[C@H]1Cc2ccccc2O1 40086443 SXEJRVJBZCINJH-OAHLLOKOSA-N 300.333 2.629 0 40 DFAB COc1ccc(OC)c(CCC(=O)Nc2cccc(C)n2)c1 30871801 CIYKKTHEACTULG-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB COc1ccc([C@H](O)CNC(=O)CCc2ccc(C)cc2)cc1 31572086 GQGGJVTYDDVTPV-GOSISDBHSA-N 313.397 2.786 0 40 DFAB COc1ccc(COC[C@H](O)Cn2cnc3ccccc32)cc1 40459184 KJKKBWWEJNQDKY-OAHLLOKOSA-N 312.369 2.623 0 40 DFAB CC(C)(C)c1nnc(COc2ccc(Cl)cc2C(N)=O)o1 31847265 IUQHMRCUEUKMLO-UHFFFAOYSA-N 309.753 2.698 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c1 202730 RHHRRJQNVUNINO-RDTXWAMCSA-N 317.385 2.824 0 40 DFAB biogenic Cc1cc(C)cc(-n2nnnc2S[C@@H]2CCCCC2=O)c1 21507109 BJCZSOSBWHGICG-CQSZACIVSA-N 302.403 2.883 0 40 DFAB CC[C@@H](Sc1ccc(Cl)nn1)C(=O)Nc1cc(C)on1 21919913 ATQQQJBKIXJBSF-MRVPVSSYSA-N 312.782 2.936 0 40 DFAB COC(=O)c1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 509314 VWFVDGSXVDZVSJ-FMIVXFBMSA-N 313.334 2.879 0 40 DFAB O=C(NC1CCCC1)C1CCN(C(=O)Cc2ccccc2)CC1 300207 AHQJDSYSWCBEKC-UHFFFAOYSA-N 314.429 2.527 0 40 DFAB O=C(NCc1ccc(OCc2ccccn2)cc1)c1cccnc1 55649543 AOOJWAQOFHERGN-UHFFFAOYSA-N 319.364 2.986 0 40 DFAB O=C(C[C@H]1CCCO1)NC[C@H]1CCCN(Cc2ccccc2)C1 106833029 MQOHATDNKJOHBF-QZTJIDSGSA-N 316.445 2.584 0 40 DFAB CCN(CC)CCCNC(=O)c1cc(-c2ccc(F)cc2)on1 3907617 NLMUPPGRMSYJOR-UHFFFAOYSA-N 319.380 2.942 0 40 DFAB CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccncc1 56499630 PYRDGFHRGQDATF-UHFFFAOYSA-N 318.764 2.837 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H](C)OC(C)(C)C1 107343666 WRJKREMMRVEJMB-ZNMIVQPWSA-N 312.454 2.791 0 40 DFAB O=C([C@@H]1CCCCN1Cc1cccnc1)N1C[C@H]2CCC[C@@H]2C1 107516178 YCZBDAQPJIYSBP-KURKYZTESA-N 313.445 2.695 0 40 DFAB CNC(=O)c1ccc(/C=C/C(=O)O[C@@H](C)C(F)(F)F)cc1 72305087 MNIMLFPEDVSKRP-QRJSTWQJSA-N 301.264 2.553 0 40 DFAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 10017793 MNODDAAFVDGYND-GOSISDBHSA-N 312.413 2.793 0 40 DFAB C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(CO)C=C[C@@]3(CC[C@@H]12)C4 8617625 HMKFWGVTZPRBQX-JPDRSCFKSA-N 320.473 2.891 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cn1 10261969 KTZDYHLVMNIFNA-LBPRGKRZSA-N 320.418 2.576 0 40 DFAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccccc1Cl 44950036 SKFCOFXIEQMPHR-JTQLQIEISA-N 307.785 2.512 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2cccs2)n1 44953255 UESODZZJFOAATH-GFCCVEGCSA-N 305.447 2.947 0 40 DFAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@@H]1CCCO1 58316413 HQKPAQSEXONMDK-HNNXBMFYSA-N 322.368 2.597 0 40 DFAB CC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1 58404899 PHAHUFNIFFZPJA-UONOGXRCSA-N 307.390 2.996 0 40 DFAB NC(=O)c1ccc(CN(C(=O)Cc2cccs2)C2CC2)cc1 29263360 QKISNXKNDGEBRH-UHFFFAOYSA-N 314.410 2.581 0 40 DFAB O=C1OC(=C(Br)Br)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 104184291 VCHBRRPIBSDNIH-VWDOSNQTSA-N 319.980 2.940 0 40 DFAB C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nc(C2CC2)no1 46151730 OWVXCGHPCKZVQE-VIFPVBQESA-N 310.350 2.762 0 40 DFAB O=C(NCc1ccccn1)c1ccc(N2CCCCCC2)nc1 29738538 VMPYRPXZEDZGBL-UHFFFAOYSA-N 310.401 2.787 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1c1ccsc1 47028414 LCIQPQCKNMXVJJ-TZMCWYRMSA-N 304.419 2.880 0 40 DFAB Cc1ccc(CNC(=O)c2cn(-c3ccc(F)cc3)nn2)cc1 57511454 ALNKRWREVMGILT-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Cc1ncc2c(n1)CCN(Cc1coc(-c3ccccc3)n1)C2 48229939 OAMQRFUCKOOJDA-UHFFFAOYSA-N 306.369 2.998 0 40 DFAB Cc1ccc(OCC(=O)NCCn2c(C)nc3ccccc32)cc1 12750082 GYRNZVPUADJKPA-UHFFFAOYSA-N 323.396 2.848 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 48363843 LCGYWRZPWURFRW-MEDUHNTESA-N 324.384 2.768 0 40 DFAB C[C@@H](CC[C@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1 95421810 GHRBLEKLAZIABB-LSDHHAIUSA-N 310.438 2.689 0 40 DFAB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc[nH]1 64313439 RASLUXICOLYESZ-UHFFFAOYSA-N 324.428 2.799 0 40 DFAB CC(C)Oc1cc(CNC(=O)c2cnoc2C2CC2)ccn1 95434577 WSLVIXRVTVLFIW-UHFFFAOYSA-N 301.346 2.664 0 40 DFAB CCC(=O)N[C@@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 95442135 KEHGZAUDLIIZIP-QGZVFWFLSA-N 312.369 2.907 0 40 DFAB CCN(CC)[C@H](CNC(=O)c1cnoc1C)c1ccsc1 65401442 FYCVWGTVYSAAGU-CQSZACIVSA-N 307.419 2.857 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccccc2O)C1 14182799 YRNCBYKQFOILCI-LBPRGKRZSA-N 320.389 2.978 0 40 DFAB CN(C)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 5421323 ICZKDRHBZPIRQI-INIZCTEOSA-N 309.369 2.566 0 40 DFAB CC[C@@H](OC(=O)c1ccccc1OC)C(=O)Nc1cc(C)on1 9449767 QJMGZAQLFUNPCH-GFCCVEGCSA-N 318.329 2.566 0 40 DFAB Cc1nc(Nc2nc3c(c(=O)[nH]2)CCC3)nc2c(C)cccc12 9484355 HVTUSCNSWJTHFC-UHFFFAOYSA-N 307.357 2.562 0 40 DFAB CCOC(=O)c1c(-c2ccc(Cl)cc2)noc1-c1cn[nH]n1 96319543 SAROHQKGNRIBNM-UHFFFAOYSA-N 318.720 2.957 0 40 DFAB COC[C@@H]1CN(C(=O)N[C@H](c2ccccc2C)C(C)C)CCO1 96440160 XJQCWBVFORZQQV-RDJZCZTQSA-N 320.433 2.749 0 40 DFAB CCOC(=O)c1sc(CNC(=O)C2CCCCC2)nc1C 96455981 MBMSGSPZHJHWFE-UHFFFAOYSA-N 310.419 2.825 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1C 7609957 KWUGZGARMCIIJV-CZUORRHYSA-N 304.415 2.696 0 40 DFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(=O)[nH]c1 71834916 UGCDILOCYVIUEJ-JTQLQIEISA-N 313.382 2.818 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1c(C)noc1C 7758302 GFVJRZZQMLENHS-UHFFFAOYSA-N 303.318 2.511 0 40 DFAB O=C(C[C@@H]1CCCc2ccccc21)NCC(=O)Nc1cccnc1 71888065 INQMJVPRTVKEFO-HNNXBMFYSA-N 323.396 2.647 0 40 DFAB c1ccc(-n2cc(CNC[C@@H]3COc4ccccc4O3)cn2)cc1 7986240 KOOKGNLBGGLZSJ-QGZVFWFLSA-N 321.380 2.802 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1F 8078754 AIQKDOYWUGGZCY-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB Cn1cc([C@]2(C)CN(Cc3ccc(O)c(Cl)c3)CCO2)cn1 92016407 MVCKNBHZIDBSEO-INIZCTEOSA-N 321.808 2.527 0 40 DFAB COc1cccc(CN[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 69814857 XZVNAGHRHQODHO-MRXNPFEDSA-N 312.417 2.552 0 40 DFAB O=C(NCCc1cccs1)N1CC[C@@H](Oc2cccnc2)C1 95416342 VOFJYXMVXNZHRN-CQSZACIVSA-N 317.414 2.549 0 40 DFAB Cc1nnc(NC(=O)c2sc(-c3ccncc3)nc2C)s1 71285001 QEXPNWNBMYWQNS-UHFFFAOYSA-N 317.399 2.926 0 40 DFAB CC[C@@](C)(NC(=O)[C@H]1Cc2ccccc2O1)c1nccs1 72292245 SFYASORBGWGNST-CZUORRHYSA-N 302.399 2.888 0 40 DFAB C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)cc(N2CCCC2)c1 72294217 BXHIDOFEXKJMAL-STQMWFEESA-N 323.412 2.954 0 40 DFAB COC(=O)C[C@@H]1CSCCN1Cc1ncc(C(C)C)s1 97108468 HMYOYXJSJCMKBK-LLVKDONJSA-N 314.476 2.747 0 40 DFAB O=C(NCCCNc1cccc(F)c1)c1ccc(O)cc1F 97108081 CTMMBPXHOLDBOK-UHFFFAOYSA-N 306.312 2.902 0 40 DFAB CCCCN1CCC(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)CC1 73967825 PUXYHSSGDFBCQJ-IYBDPMFKSA-N 305.466 2.859 0 40 DFAB O=C(O)CNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 95969614 PBIZLMXLZXEYAF-UHFFFAOYSA-N 318.398 2.600 0 40 DFAB Cn1nc(C2CCC2)cc1NC(=O)NCCCOCC1CC1 95966998 NVCPVARRWLFJTM-UHFFFAOYSA-N 306.410 2.626 0 40 DFAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)c1ccncc1 75164148 SBUIOCKTAZSVJA-UHFFFAOYSA-N 312.373 2.931 0 40 DFAB COC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(C)cs1 89705593 GBOANBOEVXPMBX-CQSZACIVSA-N 302.399 2.551 0 40 DFAB CC(C)NC(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89885216 SNARSVXDRBKENP-MSOLQXFVSA-N 324.424 2.974 0 40 DFAB C[C@@H]1CN(C)CCN1C(=O)c1occc1COc1ccccc1 89938280 ZRIBPXXOCFTFQP-CQSZACIVSA-N 314.385 2.635 0 40 DFAB FC(F)(F)c1cc([C@@H]2CCCN(Cc3ccon3)C2)n[nH]1 76060315 GDCRFVGGKGAFJK-SECBINFHSA-N 300.284 2.796 0 40 DFAB Cc1cccc(NC(=O)[C@H](NC(=O)C(F)(F)F)C(C)C)c1 408719965 IBQXGWRFPVAXHK-LLVKDONJSA-N 302.296 2.637 0 40 DFAB COCc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1 31808006 FHEWKOGWPDVMSG-UHFFFAOYSA-N 314.370 2.793 0 40 DFAB CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCC=C(F)C2)c1C 521396269 FXOVIQDEKJGPTD-LBPRGKRZSA-N 323.412 2.758 0 40 DFAB COc1ccccc1-c1nnc2n1N[C@H](c1ccco1)S2 3843176 MEMBMYFNSFJDOQ-ZDUSSCGKSA-N 300.343 2.895 0 40 DFAB biogenic COc1ccc2cc([C@H](C)C(=O)OCCO[N+](=O)[O-])ccc2c1 3948314 GEQMYVUBDGZQAF-NSHDSACASA-N 319.313 2.703 0 40 DFAB biogenic O=C(c1ncn[nH]1)N1CCS[C@H](c2ccccc2Cl)CC1 219041919 TYHSSCCECQXQDN-LBPRGKRZSA-N 322.821 2.779 0 40 DFAB O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc2C1 1540505402 CKFQQIXHVZHLOP-HNNXBMFYSA-N 319.368 2.610 0 40 DFAB CC(C)Cn1ccnc1CNc1ncc(Br)cn1 78336775 VCVLJMRGHKVHQD-UHFFFAOYSA-N 310.199 2.704 0 40 DFAB CC(C)n1ccc2ccc(C(=O)NCCN3CCCC3=O)cc21 1565524748 USUXWXVUGCCEMO-UHFFFAOYSA-N 313.401 2.574 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72838112 UIYRSKZEZWPSDQ-LSDHHAIUSA-N 317.458 2.801 0 40 DFAB COC(=O)c1conc1[C@@H](O)c1ccc(C(F)(F)F)cc1 504665921 DMUHOBKOHQAMNP-NSHDSACASA-N 301.220 2.562 0 40 DFAB Cc1nc(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)cs1 72385929 ITTPYOJHSNRBNL-HNNXBMFYSA-N 315.442 2.870 0 40 DFAB COc1ccc(OC)c(NC(=O)c2cnc(C3CC3)nc2C)c1 222565642 MUZLZINTCODBEZ-UHFFFAOYSA-N 313.357 2.932 0 40 DFAB Cc1nc(CN(CCN2CCOCC2)c2ccccc2)oc1C 81017871 XQZHKKIIOOUNJE-UHFFFAOYSA-N 315.417 2.630 0 40 DFAB O=S(=O)(NCCc1cccc2[nH]ccc12)c1cccs1 330033123 WLWXCUSYUCQRDT-UHFFFAOYSA-N 306.412 2.750 0 40 DFAB CO[C@@]1(CNc2ccccc2OCC(F)(F)F)CCOC1 583650778 BAYNLWHVDRXRFS-CYBMUJFWSA-N 305.296 2.845 0 40 DFAB Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COC(C)C)C2)nn1 96040507 YJQYVYOEVGYWRJ-DOTOQJQBSA-N 305.422 2.586 0 40 DFAB Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCSC2)C1=O 96477895 BXCRYKZBDZXJAB-KGLIPLIRSA-N 308.422 2.725 0 40 DFAB CCOc1cc(CO)c(Cl)cc1OCC(=O)NC(C)(C)C 95095058 ZOPPXYHWVFIFBC-UHFFFAOYSA-N 315.797 2.525 0 40 DFAB Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 96055128 PZTLUQLXWROFCY-CRAIPNDOSA-N 316.376 2.756 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)C2CCCCC2)C1 97372232 FSSCVJXAVRGDNN-CYBMUJFWSA-N 310.438 2.940 0 40 DFAB C[C@]1(NC(=O)c2cc(Br)co2)CCO[C@H]1C1CC1 580937122 YMYHVURDTUGHRB-AAEUAGOBSA-N 314.179 2.730 0 40 DFAB O=C(CSCc1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96123081 YYPHMMQPQUWWFL-HNNXBMFYSA-N 317.414 2.716 0 40 DFAB O=C(Nc1nnc(C2CCCCC2)s1)N(CCO)C1CC1 65414246 LKGRIGNOVQVOFB-UHFFFAOYSA-N 310.423 2.574 0 40 DFAB OC1(Cc2cccc(Cl)c2Br)CCNCC1 719438277 GHCHDJARJADIHG-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB O=C1CC[C@H](Nc2ccccc2OCC(F)(F)F)CCN1 585141382 VDFXNVGCEBDPHG-JTQLQIEISA-N 302.296 2.708 0 40 DFAB CO[C@@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccc(F)cc1 585274847 PJJIEXOAYOSOLE-CRAIPNDOSA-N 317.408 2.937 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2cn(C)nc2-c2ccncc2)c1 69463596 QZBDJMNHGSVPOS-HUUCEWRRSA-N 324.432 2.726 0 40 DFAB CC(C)CO[C@@H](C)c1noc(CN2CCC(NC(C)C)CC2)n1 80724428 CDFPMSCBPIFMPH-AWEZNQCLSA-N 324.469 2.766 0 40 DFAB C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1nc(C(C)(C)C)no1 78890285 ZKVBKQROGWIYBN-GHMZBOCLSA-N 318.425 2.707 0 40 DFAB Clc1cc(NCc2noc(C3CC3)n2)ccc1-n1cncn1 84350675 ZZWKRUBEHDYRKO-UHFFFAOYSA-N 316.752 2.793 0 40 DFAB COc1cccc(C(=O)N2C[C@@H](C)Oc3ncccc32)c1F 89236414 GPVTVDLYUFVKPJ-SNVBAGLBSA-N 302.305 2.657 0 40 DFAB CCc1nc(CNC(=O)N[C@H]2CC(C)(C)OC2(C)C)cs1 97048190 PEOVUBMQESXYIK-NSHDSACASA-N 311.451 2.851 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCCn1ccnc1 43311032 UOCDLEGWEFOUOQ-CQSZACIVSA-N 316.405 2.797 0 40 DFAB O=C(O)c1ccc(NC(=O)c2coc(Br)c2)cc1 95389829 AYNOVXPHDCOQDY-UHFFFAOYSA-N 310.103 2.993 0 40 DFAB Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1)N1CCCC1 11845604 VLCFOSFSDICXAS-QGZVFWFLSA-N 315.392 2.731 0 40 DFAB Clc1nc2cc3c(cc2cc1CNC[C@@H]1CCCO1)OCO3 13534788 GUFZXKFIOFJRKX-LBPRGKRZSA-N 320.776 2.886 0 40 DFAB O=C(O)/C(Cl)=C(\Cl)C(=O)NC1C2CC3CC(C2)CC1C3 1616846 RWRPBNNRVYGIDE-ZHACJKMWSA-N 318.200 2.701 0 40 DFAB Cc1ccc([C@@H]2COCCN2Cc2ccccc2C(=O)O)o1 521258096 SYJCOBCXOVMJCK-HNNXBMFYSA-N 301.342 2.860 0 40 DFAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)C[S@@](=O)C2 8553346 ZXZPOBTXFMAOAV-QFIPXVFZSA-N 323.462 2.919 0 40 DFAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(C2CC2)on1 24751608 VBYUYUAWZBITID-UHFFFAOYSA-N 322.368 2.727 0 40 DFAB Cc1nc(C(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)cs1 245026611 NCZRIQTXRPHMJH-JOCQHMNTSA-N 317.414 2.967 0 40 DFAB O=C(CC1CC1)N1CCC[C@](O)(COc2ccccc2)CC1 2037913197 YRIHOYNKJOIJGJ-GOSISDBHSA-N 303.402 2.609 0 40 DFAB CCOC(=O)c1ccc(N(C=O)CCC(OCC)OCC)cc1 1598451 LKLYQPRLMQYMGS-UHFFFAOYSA-N 323.389 2.615 0 40 DFAB CCCc1cc(=O)[nH]c2nnc(SCc3ccccc3F)n12 4250350 IVYPXYYKHVDKOI-UHFFFAOYSA-N 318.377 2.802 0 40 DFAB CC1=N[C@@](O)(c2ccccc2)[C@H](NC(=O)c2ccccc2)S1 5232444 PWFBUTGZYOJAHX-IAGOWNOFSA-N 312.394 2.753 0 40 DFAB CC(C)Oc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 10255641 SXYHORQAGRTHOF-KRWDZBQOSA-N 324.380 2.531 0 40 DFAB NC(=O)C1CCN(c2csc3ccc(Cl)cc3c2=O)CC1 5202529 MNISQXJSXTTWOZ-UHFFFAOYSA-N 322.817 2.617 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2cccc(F)c2F)c1 40230331 HYEUMRKWMRXWLF-UHFFFAOYSA-N 319.310 2.525 0 40 DFAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 31774456 XJGYTTYXFNFEMZ-SNVBAGLBSA-N 316.357 2.944 0 40 DFAB CCCCSCC(=O)Nc1cccc(OCC(=O)NCC)c1 31813572 FAQWDWWLTWKVTH-UHFFFAOYSA-N 324.446 2.673 0 40 DFAB CCn1nc(C)cc1-c1nn2c(-c3ccco3)nnc2s1 32089443 FYUWIONERBSAAO-UHFFFAOYSA-N 300.347 2.638 0 40 DFAB Cc1cccc([C@H](C)NS(=O)(=O)c2cccc3nonc23)c1 32578994 XGNKXMUCBBKYFU-NSHDSACASA-N 317.370 2.571 0 40 DFAB CCOC(=O)[C@@H](CC)Sc1nc2c3ccccc3ncn2n1 32937906 JEKBYZHGGZCVPJ-GFCCVEGCSA-N 316.386 2.711 0 40 DFAB O=C(Nc1ccccn1)c1cc2c(=O)n3ccccc3nc2s1 426869 MNNKXDNLEQDZSG-UHFFFAOYSA-N 322.349 2.557 0 40 DFAB CN(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 41614320 PGPJRFKIRNGEAN-OAHLLOKOSA-N 315.417 2.577 0 40 DFAB CC(=O)c1ccc(C(=O)N2CCN(Cc3ccco3)CC2)s1 41841212 OPEHEGUOJCQSHN-UHFFFAOYSA-N 318.398 2.502 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccncc1 53599505 YJBZYVYLXFLWOI-QGZVFWFLSA-N 307.353 2.984 0 40 DFAB Cc1cc(CN(C)[C@@H](C)C(N)=O)cc(C)c1OCC(F)(F)F 54394346 UWFNLIOUQSGISE-NSHDSACASA-N 318.339 2.550 0 40 DFAB CS(=O)(=O)Nc1ccc(OC(=O)C=C(C2CC2)C2CC2)cc1 54739467 QVLAMEFYTFJZEI-UHFFFAOYSA-N 321.398 2.710 0 40 DFAB O=C(Cc1ccccc1)NCC(=O)N[C@H](c1ccccc1)C1CC1 24026609 LHVZDLSFUFZJAC-HXUWFJFHSA-N 322.408 2.613 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2)CC1 66546 QNEKFNMBKJEMEJ-UHFFFAOYSA-N 304.390 2.816 0 40 DFAB CCN(CC)CCNC(=O)NC[C@@H]1CCCc2ccccc21 47578435 MNIRZXOGLZNHRC-INIZCTEOSA-N 303.450 2.748 0 40 DFAB CC(C)NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 541519 UHMOFSWLCUTGKT-UHFFFAOYSA-N 321.380 2.739 0 40 DFAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc2ccccc2oc1=O 1351408 FWKYKEUJOVAKRJ-CQSZACIVSA-N 321.332 2.527 0 40 DFAB Cc1ccc(CN([C@H]2CCc3ccccc32)S(N)(=O)=O)cc1 79274114 JNZIZAKLQCDXEE-KRWDZBQOSA-N 316.426 2.688 0 40 DFAB CS(=O)(=O)Oc1ccc2cc(Br)ccc2c1 1703057 KXLLKWJRHGAAKC-UHFFFAOYSA-N 301.161 2.941 0 40 DFAB Nn1c(-c2ccccc2Br)nc2ccccc2c1=O 3156461 VBDSBGRHKAPUDF-UHFFFAOYSA-N 316.158 2.540 0 40 DFAB C[C@@H](NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 4042133 XHDCLAIZWOHGHB-PJSAGSTRSA-N 301.386 2.986 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162225 QJMUYCONVIZNGN-UHFFFAOYSA-N 318.398 2.882 0 40 DFAB O=C(C[C@@H]1CCCO1)NCc1ccc(Br)cc1F 71894368 GKDQXMUDFGHDTB-NSHDSACASA-N 316.170 2.774 0 40 DFAB Cc1ccc(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)cc1 56166239 WAXAUBIFBXRNIH-UHFFFAOYSA-N 322.408 2.963 0 40 DFAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 37795139 SHHQESFPDIPHNF-XROYCOCOSA-N 301.264 2.603 0 40 DFAB Cc1ncc(CNC[C@H]2CCc3nnc(C(C)C)n3C2)s1 71871902 BHSTVYHMWFOHDV-GFCCVEGCSA-N 305.451 2.519 0 40 DFAB O[C@@]1(c2cccs2)C[N+]2=C(SCC2)N1c1ccccc1 3231277 GDGGIRIGMGBJQL-OAHLLOKOSA-N 303.432 2.529 0 40 DFAB CN(CC1CCC1)C(=O)NCCCn1cnc2ccccc21 71897555 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2.747 0 40 DFAB CCOc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58323448 JLSLMLCNQHNYBH-MRXNPFEDSA-N 302.418 2.786 0 40 DFAB O=C(CSc1nncs1)N[C@@H]1CCCc2ccccc21 3389490 WXCIELVSOOVPLG-GFCCVEGCSA-N 305.428 2.824 0 40 DFAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccccc1 10407358 BBPDUZRZBLUNCI-UHFFFAOYSA-N 320.352 2.532 0 40 DFAB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)NC1=S 105001586 NAIMIHRDTFHTOK-UVTDQMKNSA-N 312.394 2.926 0 40 DFAB CC[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798813 WTNJGOZLMGQCDK-XHDPSFHLSA-N 322.355 2.861 0 40 DFAB C[C@H](c1cccc(F)c1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 95402728 QIUOHBBDYBGSFV-YPMHNXCESA-N 316.380 2.588 0 40 DFAB COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 48383512 UPQFLISLJSPBBE-UHTWSYAYSA-N 321.348 2.679 0 40 DFAB Cn1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)cn1 95413223 ZHAVAMIIMOTLAR-HOTGVXAUSA-N 303.406 2.881 0 40 DFAB COc1cc(NC(=O)c2ccoc2)ccc1N1CCCC1=O 11447215 PGDMXUSQOXPMHW-UHFFFAOYSA-N 300.314 2.667 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2ccc3nnsc3c2)cc1 11692761 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Cc1c(C(=O)N(CC(N)=O)C2CCCC2)oc2ccc(F)cc12 65473497 KWVUJBPKFUXPIM-UHFFFAOYSA-N 318.348 2.750 0 40 DFAB Cc1cccn2cc(CC(=O)Nc3nc4ccccc4[nH]3)nc12 65623673 MXSGOVMLWRBDNZ-UHFFFAOYSA-N 305.341 2.700 0 40 DFAB CCOc1ccc2oc(C(=O)NC3=NCCS3)c(C)c2c1 6539275 PBNOUIYVUZRYCP-UHFFFAOYSA-N 304.371 2.973 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)Cn2nc(C)cc2C)C1 110637575 CGPMWLIMPVDTEK-NILFDRSVSA-N 324.494 2.719 0 40 DFAB CC(C)n1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 66385989 LOWMYGOVIBYBJL-CYBMUJFWSA-N 320.437 2.687 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1 5634064 YBVNSBBIFWSHHX-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB Cn1cc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3o2)cn1 71796971 BNNZMRZYWJLQLL-HNNXBMFYSA-N 324.384 2.858 0 40 DFAB O=c1nc(NCc2ccco2)[nH]nc1Cc1ccc(Cl)cc1 16777335 VRCADIXBUBYCRE-UHFFFAOYSA-N 316.748 2.614 0 40 DFAB CC(C)Oc1cccc(CNCC2CCN(C[C@@H](C)O)CC2)c1 69349894 KODSCPYVKQTLBR-MRXNPFEDSA-N 320.477 2.656 0 40 DFAB CN(Cc1ccco1)C(=O)NCCNC(=O)CC1CCCCC1 69739368 RPZMWAUYXSVHGI-UHFFFAOYSA-N 321.421 2.508 0 40 DFAB Cc1csc(=O)n1CCSc1nnc(C2CC2)n1C1CC1 8775116 HRNKWENPMBZXBF-UHFFFAOYSA-N 322.459 2.814 0 40 DFAB O=C(NCc1ccco1)N[C@H]1CCO[C@@H](c2ccccc2)C1 97142089 CPBSJTJPYLPYCQ-GOEBONIOSA-N 300.358 2.999 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H]2CCCC[C@@H]2C1 95369258 MBRCRJPXTNTZQD-HUUCEWRRSA-N 301.386 2.997 0 40 DFAB O=C(c1ccnn1C1CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 95967297 CDSJLKNOWZOOLP-GOEBONIOSA-N 303.406 2.782 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCC(C)(C)OC)o1 95944852 FNGMKUXPAQVVRV-CYBMUJFWSA-N 310.394 2.698 0 40 DFAB COc1ccc(N2C(=O)[C@H](Cc3ccccc3)NC2=S)cc1 4614534 JTNCDKNSZQZFBG-HNNXBMFYSA-N 312.394 2.528 0 40 DFAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2occc2C)C1 548346440 ULXKHYPSJBNPMZ-INIZCTEOSA-N 319.430 2.590 0 40 DFAB COc1ccc2ccccc2c1[C@@H](CN)N1C[C@H](C)O[C@@H](C)C1 33455600 RHKIELOGOLFZBF-GRDNDAEWSA-N 314.429 2.957 0 40 DFAB CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(C)o1 539118582 PNGAHQRNHRBGPQ-UHFFFAOYSA-N 309.343 2.649 0 40 DFAB C[C@](O)(CNC(=O)CCc1ccco1)c1ccc(F)cc1F 79349873 TVSMOGFEQUNWLC-INIZCTEOSA-N 309.312 2.514 0 40 DFAB CC(C)C[C@@H]1COCCN1C(=O)Nc1cccc([S@@](C)=O)c1 77204043 ZNSJRSBJWUPDES-PEBXRYMYSA-N 324.446 2.703 0 40 DFAB c1cc(CCNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1 72340334 DBVNSHNIAPNUIP-UHFFFAOYSA-N 318.384 2.861 0 40 DFAB Cc1occc1C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 79002161 NKONBOGZZZFSIW-OAHLLOKOSA-N 316.332 2.605 0 40 DFAB C[C@H](OC[C@H](O)CNC(=O)[C@H]1CC=CCC1)c1ccccc1 79085117 GIWRRFGRJBSXMM-BHYGNILZSA-N 303.402 2.598 0 40 DFAB CC(=O)N1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 72361775 CREBRTKWCAKWNT-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB Cc1nn2cccnc2c1C(=O)NCC(C)(C)c1cccs1 74648605 IAIKOFMMNXLZOV-UHFFFAOYSA-N 314.414 2.807 0 40 DFAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 225592177 BHJUASNSOCANDM-MYZSUADSSA-N 319.788 2.869 0 40 DFAB CCn1c(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)nnc1C(C)C 139889061 RTTIPDMAEACRHV-JHJVBQTASA-N 322.478 2.818 0 40 DFAB CCOC(=O)c1conc1[C@@H](O)c1ccc(C(F)(F)F)cc1 504040588 DKWQKQCZNNPVIL-LBPRGKRZSA-N 315.247 2.952 0 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CCc1ccc([C@H]2CN(c3cc(C)ncn3)[C@@H]3CCNC[C@H]23)cc1 257321943 WDYZWHLNKRHRID-GUDVDZBRSA-N 322.456 2.929 0 40 DFAB CCCCc1nc(CN2CC[C@H](c3nc(C)cn3C)C2)c[nH]1 257342552 ZPESOBZXRXJNNV-AWEZNQCLSA-N 301.438 2.784 0 40 DFAB Clc1cnc(NC[C@H](c2cccs2)N2CCOCC2)nc1 267108230 QMWUKJWIQDZQDE-GFCCVEGCSA-N 324.837 2.677 0 40 DFAB COc1ccccc1[C@H](CNC(=O)Cc1ccsc1)OC 96384804 UMZNEWLZAMEFPQ-HNNXBMFYSA-N 305.399 2.803 0 40 DFAB O=C(COc1nccc(C(F)(F)F)n1)NC1CCCCCC1 567843690 ICZSZNWPKFDTKF-UHFFFAOYSA-N 317.311 2.713 0 40 DFAB CCC(=O)NC(NC(=O)CC)c1ccc(Br)cc1 585181957 KWNJDMMNQHKHAF-UHFFFAOYSA-N 313.195 2.500 0 40 DFAB CC(=O)c1ccc(NC(=O)CCSc2nncs2)cc1 32871083 HIQFILSEUNJJHG-UHFFFAOYSA-N 307.400 2.862 0 40 DFAB CC(C)c1cc(NC2CCS(=O)(=O)CC2)nc(C(C)C)n1 892804940 AZPYBRUKSCJROJ-UHFFFAOYSA-N 311.451 2.713 0 40 DFAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 75146859 OCNFEPYVLWBURL-CHWSQXEVSA-N 324.446 2.988 0 40 DFAB FC(F)(F)c1nnc(C2CCN(Cc3ccccn3)CC2)o1 75165310 CFZVSKPTPOSXSB-UHFFFAOYSA-N 312.295 2.863 0 40 DFAB Cn1ccc(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 12228521 MIBOEYRWBZSFRS-OAHLLOKOSA-N 312.398 2.590 0 40 DFAB O=C(c1c(F)cccc1F)N1[C@H]2CC[C@@H]1Cc1nnsc12 12234417 BZFZKNHXLZSBRX-HQJQHLMTSA-N 307.325 2.718 0 40 DFAB Cn1ncc2c1CCCN(C(=O)Cc1ccc3c(c1)CCCC3)C2 12671259 LAENEIHMWHCLFM-UHFFFAOYSA-N 323.440 2.816 0 40 DFAB Cn1ncnc1CSc1nnc(NCc2ccccc2)s1 153667830 KWJOHHOHCUHHLB-UHFFFAOYSA-N 318.431 2.571 0 40 DFAB COC(=O)c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1 5248401 FYSICAAHWNVWRJ-QPJJXVBHSA-N 324.258 2.746 0 40 DFAB O=C(N1CC(OCC(F)(F)F)C1)C1(c2ccc(F)cc2)CC1 390831764 URNRSQPBNJBGLJ-UHFFFAOYSA-N 317.282 2.647 0 40 DFAB c1ccc(Oc2cccc(CN3CC(Cn4cncn4)C3)c2)nc1 1888883440 VEJMFGKSORFHJL-UHFFFAOYSA-N 321.384 2.597 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cnn3cccnc23)cc1 21150754 YAHQJINUBQVUFH-MRXNPFEDSA-N 322.368 2.715 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cccnc2n(C)c1=O 5303590 KKPVYPLJRQCFNQ-GFCCVEGCSA-N 319.364 2.525 0 40 DFAB O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1CC1 1058097231 SPPTZYZQNCAHCL-GFCCVEGCSA-N 313.323 2.595 0 40 DFAB Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2C)cc1F 51317728 BMPXQKVSAOUHLB-UHFFFAOYSA-N 314.320 2.546 0 40 DFAB CCN(CC)CCNc1ncnc2c1cnn2-c1ccc(C)cc1 20662024 AUDPLARVMQULJM-UHFFFAOYSA-N 324.432 2.878 0 40 DFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccccc1O 21443998 YKNADPLOMCDTME-GFCCVEGCSA-N 308.337 2.846 0 40 DFAB Cc1nc2ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc2s1 32981806 JGXPZPNRSUVUGG-LBPRGKRZSA-N 320.418 2.626 0 40 DFAB COc1cc(CCC(=O)N[C@@H](C)c2ccncc2)cc(OC)c1 22622074 LTUBXHXZSOQYJD-ZDUSSCGKSA-N 314.385 2.909 0 40 DFAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cnc2ccccc2n1 54252902 DPZWHZDCSPVCCU-UHFFFAOYSA-N 317.304 2.989 0 40 DFAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccnc1 76856893 VTGHATIDBWENGJ-OCCSQVGLSA-N 320.389 2.787 0 40 DFAB COc1ccc(Br)cc1CNc1nncs1 95976636 DWJUMKIKDKCYGF-UHFFFAOYSA-N 300.181 2.921 0 40 DFAB COCCn1c(C(=O)OC[C@@H]2CCCO2)cc2ccccc21 76846893 PSGQJTVXRRWEIK-AWEZNQCLSA-N 303.358 2.624 0 40 DFAB OCCn1cnc2c(SCc3ccccc3Cl)ncnc21 1685885 FDBBNJRXRVPHMA-UHFFFAOYSA-N 320.805 2.764 0 40 DFAB C[C@]1(CNC(=O)Nc2nnc(C(F)F)s2)CCCS1 84673487 XWDMJDVODGEIDE-SNVBAGLBSA-N 308.379 2.883 0 40 DFAB C[C@@H]1CCCN(c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)C1 55051009 NVDHEJCXVUIWII-SNVBAGLBSA-N 317.414 2.851 0 40 DFAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(CO)cc1 6937164 GGHOWZAKKQPYKM-UHFFFAOYSA-N 319.744 2.871 0 40 DFAB Cn1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1=O 25099555 SEDKBJILQLBHJZ-UHFFFAOYSA-N 310.397 2.842 0 40 DFAB CN(C)[C@H](CNC(=O)c1n[nH]c2ccccc12)c1ccsc1 25331492 WAWFPESSDFYHCT-CQSZACIVSA-N 314.414 2.657 0 40 DFAB CC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 25562484 DSROOBJLVTTYLD-UHFFFAOYSA-N 319.405 2.613 0 40 DFAB CCCc1nnc2n1N[C@H](c1ccc(OC)c(OC)c1)S2 26441804 PZJZZDBNYHXOAQ-ZDUSSCGKSA-N 306.391 2.596 0 40 DFAB O=C(NCCc1ccccn1)c1ccc(F)cc1Br 12545896 UWWZETGPUZPQLU-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635501 OGDIXAHVHSKMKS-JFTQMJAMSA-N 308.466 2.558 0 40 DFAB CC1(C)C[C@H](N[C@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1 95969351 GFXXSEUXFHCSLY-HOTGVXAUSA-N 316.445 2.837 0 40 DFAB Cc1noc(C)c1CN1CCC(C(=O)N2CCCCC2)CC1 95966231 IDJGGVFCIDOAQM-UHFFFAOYSA-N 305.422 2.516 0 40 DFAB CC[C@H](OC(=O)c1cccc(C)c1)C(=O)Nc1cc(C)on1 12602744 QVVLSRJGARVMAV-ZDUSSCGKSA-N 302.330 2.866 0 40 DFAB COC(=O)c1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)s1 95981716 OUVMWURPELCGPJ-OCCSQVGLSA-N 319.430 2.814 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1c(Cl)cccc1Cl 116937260 LEVSALOGVLPXGG-UHFFFAOYSA-N 318.185 2.966 0 40 DFAB Cc1ccc(-c2nnc(-c3cccc(S(C)(=O)=O)c3)o2)o1 48237715 BFNZAQZQEQNURC-UHFFFAOYSA-N 304.327 2.709 0 40 DFAB Cc1cnc(C(=O)Nc2ccnc(Sc3ccccn3)c2)cn1 58432908 SSALNQPBWXTVIC-UHFFFAOYSA-N 323.381 2.979 0 40 DFAB CC[C@@H](C)N(C)CC(=O)NCCc1ccc(OC(F)F)cc1 58407291 GSTWJFRZYMAGLV-GFCCVEGCSA-N 314.376 2.677 0 40 DFAB CN1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1=O 45153530 XZFHGHNINWHZIT-ZFWWWQNUSA-N 320.820 2.872 0 40 DFAB COc1ccccc1Nc1nnc(S[C@@H]2CCOC2=O)s1 3347980 BFWRCINFTXTETE-SNVBAGLBSA-N 323.399 2.698 0 40 DFAB Cn1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1=O 28503219 SLDOLALUPFBERJ-UHFFFAOYSA-N 304.349 2.889 0 40 DFAB Cc1nnc(SCc2csc(-c3ccccc3)n2)n1N 3317318 WXOMVHUVYPRMOL-UHFFFAOYSA-N 303.416 2.716 0 40 DFAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)NC1CCCC1 3354905 AMNBBLZGGWJMPV-VIFPVBQESA-N 307.375 2.869 0 40 DFAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccn1 11077405 XKSZTLZQMQGNCJ-NSHDSACASA-N 316.382 2.988 0 40 DFAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 2621581 DUCUPUGYVJUIKV-INIZCTEOSA-N 317.772 2.839 0 40 DFAB Cc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)cc1 2873961 TWUHJIAGJSKONL-DZGCQCFKSA-N 303.406 2.954 0 40 DFAB COc1ccc2c(ccn2CCC(=O)NCc2ccncc2)c1 12324601 ZOPSYVWCIHKCBQ-UHFFFAOYSA-N 309.369 2.751 0 40 DFAB C[C@H](Cc1ccco1)NC(=O)c1cn2cc(Cl)ccc2n1 12323698 WASJZDSGQYSLPY-SNVBAGLBSA-N 303.749 2.942 0 40 DFAB CC[C@H]1CCC[C@@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 96010952 PEWJTLIUHFMBBJ-JKSUJKDBSA-N 324.465 2.794 0 40 DFAB CC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(F)cc2)nn1 9250497 VODWDUGGOWPMJW-UHFFFAOYSA-N 324.315 2.861 0 40 DFAB NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1 63964465 QBOQCDUIZJBCKM-HNNXBMFYSA-N 301.390 2.972 0 40 DFAB O=C(Cn1cc(F)ccc1=O)Nc1ccccc1C(F)(F)F 71516098 VOHMTVPMQGIZPR-UHFFFAOYSA-N 314.238 2.645 0 40 DFAB C[C@H](NC[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 95421857 MWWWLYQTMASITP-CABCVRRESA-N 309.885 2.874 0 40 DFAB FC(F)(F)c1cnc(-n2cc(-c3nc[nH]n3)cn2)c(Cl)c1 6452882 PDIMSUIGJWIYCN-UHFFFAOYSA-N 314.658 2.725 0 40 DFAB CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2COCCO2)cc1 71799894 HCLYPVPGMLOIGP-WFASDCNBSA-N 309.431 2.780 0 40 DFAB CCOC(=O)CSc1nnc(C)n1-c1ccc(CC)cc1 409099322 QEHWZEIREMVXEV-UHFFFAOYSA-N 305.403 2.793 0 40 DFAB Cc1c(F)cccc1-n1nnc(C(=O)NC2CCCC2)c1C 67264032 VYSDAAKRTYDNEP-UHFFFAOYSA-N 302.353 2.696 0 40 DFAB COc1cc(F)cc(CNC(=O)N[C@@H]2CC[C@@H](SC)C2)c1 94037022 VVYAUVFPKCFAAD-TZMCWYRMSA-N 312.410 2.918 0 40 DFAB CCOc1ccccc1CCNC(=O)N[C@H](C)C1CCOCC1 89271936 CWUWRSCZTNLHRE-CQSZACIVSA-N 320.433 2.742 0 40 DFAB CNc1ccnc(N2CCC(c3cc(-c4ccco4)[nH]n3)CC2)n1 67919568 LPQVXHMODANYJD-UHFFFAOYSA-N 324.388 2.885 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1cnc2c(C)cccn2c1=O 90989852 SHDOHZWTYLLXOQ-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB CC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21 68713210 ZMTRDZFMUQUNJG-GOSISDBHSA-N 313.353 2.743 0 40 DFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1C 8321270 DTTVTZQRKSUCKN-MRXNPFEDSA-N 312.369 2.901 0 40 DFAB O=C(Cc1cn2ccsc2n1)N[C@H]1CCOc2ccccc21 8391091 XQIQHFMWDHQGFA-ZDUSSCGKSA-N 313.382 2.578 0 40 DFAB CC(C)(C)c1cnc(CN2CCCC[C@@H]2Cn2cncn2)o1 69493248 FUMONLHKRJJTSG-CYBMUJFWSA-N 303.410 2.618 0 40 DFAB COc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CCCO2)[nH]n1 69416472 CFEJXDZEFVBFHU-ZDUSSCGKSA-N 321.764 2.856 0 40 DFAB Cc1cc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)no1 69532256 ULZQWSMNCOBVNO-CYBMUJFWSA-N 318.377 2.843 0 40 DFAB Clc1ccc(CSc2nnnn2C2CCOCC2)cc1 69774624 BPMRHLNPFVCPFU-UHFFFAOYSA-N 310.810 2.970 0 40 DFAB COc1ccccc1NC(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 69777537 JGTFSTZIQMCCMV-BBRMVZONSA-N 314.385 2.981 0 40 DFAB Cc1cc(NC(=O)CSc2ccc3c(c2)OCCCO3)no1 8707078 IYSFUNYLFAXVPT-UHFFFAOYSA-N 320.370 2.875 0 40 DFAB O=C1CN(Cc2cccc(-c3cccnc3)c2)[C@H]2CCCC[C@H]2N1 92703168 VURVNAHODALGTO-MOPGFXCFSA-N 321.424 2.992 0 40 DFAB C[C@H]1c2cc(F)ccc2CCN1C(=O)CCCC(=O)N(C)C 73728120 RGVIAKTWVOJYNJ-LBPRGKRZSA-N 306.381 2.530 0 40 DFAB CCc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)o1 97018652 AIMFJUSQZQSPTP-ZDUSSCGKSA-N 301.342 2.515 0 40 DFAB CC(=O)c1ccc(Cl)c(Cl)c1OCCn1cncn1 72296513 BNBBFNGPJJPKKJ-UHFFFAOYSA-N 300.145 2.867 0 40 DFAB Cc1nc([C@@H](C)NC(=O)NCCc2cccc(O)c2)cs1 72271583 BDXDSEHCYRQOAJ-SNVBAGLBSA-N 305.403 2.760 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1cc2c(s1)CCCC2 72278614 HPBBAAGCDXLEPY-GFCCVEGCSA-N 301.415 2.568 0 40 DFAB Cc1cc(C)nc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1 97142846 BIPBMBIVGLDIII-UHFFFAOYSA-N 316.336 2.598 0 40 DFAB O=C1OCCN1CCCN[C@@H]1CC2(CCC2)Oc2ccccc21 95967658 YPNKFYPQBFMWEE-OAHLLOKOSA-N 316.401 2.865 0 40 DFAB COC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(C)cs1 89705594 GBOANBOEVXPMBX-AWEZNQCLSA-N 302.399 2.551 0 40 DFAB CCO[C@@H]1C[C@H](NC2CCN(C(=O)c3ccco3)CC2)C1(C)C 89985611 QVEJEQFUXVVZIN-JKSUJKDBSA-N 320.433 2.677 0 40 DFAB C[S@](=O)c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 76042310 MYNWALCERLVYQH-IVZQSRNASA-N 315.394 2.929 0 40 DFAB CNC(=O)c1cccc(NC(=O)[C@@H]2CCOc3ccccc32)c1 76770467 JMRFNONKFNJXPJ-OAHLLOKOSA-N 310.353 2.551 0 40 DFAB CC(C)[C@@H](NC(=O)c1[nH]ncc1Br)c1ccccn1 77022790 PJIWNHKJTFEYDB-LLVKDONJSA-N 323.194 2.694 0 40 DFAB CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 78987658 RTXGVJBRIBHWBD-JSGCOSHPSA-N 324.446 2.532 0 40 DFAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1cccs1 36699885 SNVDANOEENQYJV-OAHLLOKOSA-N 316.426 2.551 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78403963 DZRDEFZYXWTTSP-LLVKDONJSA-N 318.398 2.853 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1ccc(Cl)cc1F 77659591 KQXVSDPOAKSFGU-SECBINFHSA-N 306.790 2.715 0 40 DFAB CCCOC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCCC1 225654420 WERLGEJXYYSQGP-UHFFFAOYSA-N 321.373 2.828 0 40 DFAB CN(C(=O)c1[nH]c2ccccc2c1Br)c1cn[nH]c1 80846061 DDKKCGOBIFYKMM-UHFFFAOYSA-N 319.162 2.930 0 40 DFAB CCN(CC)Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1 225463420 QHXXEVAODVBCIE-UHFFFAOYSA-N 323.506 2.678 0 40 DFAB biogenic,in-vitro Cc1cc2n(CCNC(=O)c3ccc(F)cc3Cl)ccn2n1 225579006 YRAHHSGTFLJWPA-UHFFFAOYSA-N 320.755 2.667 0 40 DFAB COCc1nn(CSCc2ccc(Cl)cc2)c(=O)o1 225553140 BLXAEFZMPVBFJT-UHFFFAOYSA-N 300.767 2.527 0 40 DFAB CCc1nc(CNc2ccc(-n3ccc(C)n3)nn2)cs1 195575243 AUIKNIWLLDKHMG-UHFFFAOYSA-N 300.391 2.602 0 40 DFAB O[C@H](CN[C@H](c1ccccc1)c1ccncc1)c1ccncc1 195553864 HOPGALFQMUCJKN-RTBURBONSA-N 305.381 2.889 0 40 DFAB CSC[C@@H](C)C(=O)NCCc1nc(C(F)(F)F)cs1 96432826 MLJPNLGRVLLBJZ-SSDOTTSWSA-N 312.382 2.820 0 40 DFAB CC(=O)n1c(SCC(=O)c2cc(C)on2)nc2ccccc21 95482048 OYGAOIVKTYAQPQ-UHFFFAOYSA-N 315.354 2.968 0 40 DFAB O=C(COC(=O)c1ccnn1C1CCCC1)NC1CCCCC1 95423533 XOSAZBBWXXPAPL-UHFFFAOYSA-N 319.405 2.604 0 40 DFAB CCNC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 583652260 STIDEMWXIRIKAI-LBPRGKRZSA-N 308.332 2.881 0 40 DFAB Fc1cccc(CN2C[C@@H]3CN(Cc4ccoc4)C[C@H]3C2)c1 96053854 CSFPQQCQDXLYDI-IAGOWNOFSA-N 300.377 2.983 0 40 DFAB CCc1cc(CNC(=O)N[C@H](c2ncc(C)s2)C2CC2)on1 96440761 BLNBPZDOQUMPQK-ZDUSSCGKSA-N 320.418 2.952 0 40 DFAB Cc1ccoc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 96466923 SITIWFZFHMVSNM-HNNXBMFYSA-N 313.353 2.702 0 40 DFAB CCc1cc(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)on1 96421467 NJSGYWJCSMBMIY-DOMZBBRYSA-N 309.410 2.632 0 40 DFAB CC(C)c1cc(C(=O)N2CCc3ccccc3[C@H]2CO)no1 97097563 ARQBEPXDDREPIT-OAHLLOKOSA-N 300.358 2.530 0 40 DFAB COc1ccc(C)nc1NC(=O)c1cnn(Cc2ccccc2)c1 96445627 CVDFTDRCPNEERL-UHFFFAOYSA-N 322.368 2.896 0 40 DFAB Cc1nc(C2(NC(=O)COc3ccccc3)CCCCC2)no1 26124322 NRDMFKLAMUCOJJ-UHFFFAOYSA-N 315.373 2.733 0 40 DFAB CC(=O)N1CC[C@@H](Cc2cccc(-c3ccnn3C(C)C)n2)C1 257309507 UBFFUAVBYOFOPT-HNNXBMFYSA-N 312.417 2.937 0 40 DFAB O=C(/C=C/c1cccs1)N1CCC(Oc2cnccn2)CC1 85471787 SGMUSJIVSADQLI-ONEGZZNKSA-N 315.398 2.621 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 257215372 CPUTWSOLLQODEA-CQSZACIVSA-N 311.389 2.753 0 40 DFAB COCC[C@H]1CN(Cc2scnc2C)Cc2cccn2C1 585095224 IRHZUVNVEFIOSD-AWEZNQCLSA-N 305.447 2.922 0 40 DFAB O=S(=O)(C/C=C/c1ccccc1)Cc1nc(C2CC2)no1 46094113 XIHUYNXLJXZZBZ-QPJJXVBHSA-N 304.371 2.575 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@@H]2c2cc(C)on2)cs1 55196246 TYQCADDZNUFCTG-CYBMUJFWSA-N 305.403 2.908 0 40 DFAB O=C(c1cc2ccccc2s1)N1CC(OC[C@@H]2CCOC2)C1 1565522997 XAGNZLDQMOPUIY-GFCCVEGCSA-N 317.410 2.779 0 40 DFAB O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@H](CO)C1 75128186 BWXLYLTXWVIHBE-WMLDXEAASA-N 302.418 2.942 0 40 DFAB O=C(CCCn1ccnc1)Nc1cc(CCc2ccccc2)[nH]n1 75145216 HXVZYYZEHOSABJ-UHFFFAOYSA-N 323.400 2.810 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC1CCSCC1 76042818 VTUYNPZMVLYRCO-CJNGLKHVSA-N 309.479 2.600 0 40 DFAB O[C@@H](CNc1ccccn1)c1cc(Cl)c2c(c1)OCCO2 89883892 BWTPMVBFRQUHDC-LBPRGKRZSA-N 306.749 2.652 0 40 DFAB N[C@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccccc1 95971156 NVPJBZSVTUKGLT-HKUYNNGSSA-N 324.424 2.752 0 40 DFAB Cc1cccc(CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 97145896 MHQPIYRDLIOQNB-GJZGRUSLSA-N 305.422 2.925 0 40 DFAB COc1ccccc1OCC(=O)Nc1nnc(C(C)C)s1 5633650 KEKPNDXVAIEGOD-UHFFFAOYSA-N 307.375 2.688 0 40 DFAB Cc1cc(O)ccc1NCc1cc2cc3c(cc2[nH]c1=O)OCO3 13086660 KKRFDGAFYJMLLE-UHFFFAOYSA-N 324.336 2.883 0 40 DFAB CCCNC(=O)[C@@H](C)Sc1nccn1-c1ccc(OC)cc1 18516407 OMIOEPUFBMULGL-GFCCVEGCSA-N 319.430 2.888 0 40 DFAB CNC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6790623 OHYMFGMUWZJEBE-UHFFFAOYSA-N 324.336 2.706 0 40 DFAB Fc1cc(F)c2[nH]c(=NC3CN(c4ccccn4)C3)sc2c1 1888890662 QWBZSOUFJMXEQY-UHFFFAOYSA-N 318.352 2.692 0 40 DFAB c1ccc(N2C[C@@H]3[C@H](CCN3c3cnc4ccccc4n3)C2)nc1 1889186628 CZDUQEAXPDXVKR-RHSMWYFYSA-N 317.396 2.740 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 209111090 AGSYBSWAQVPZCC-SWLSCSKDSA-N 304.390 2.737 0 40 DFAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCC4CC4)[C@H]32)Oc2ccccc21 2038073246 MYXDZAAGOQLBJG-DOEAQHAXSA-N 311.381 2.573 0 40 DFAB Cc1ccc(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)o1 1565555428 ADOZQICBYPNESE-UHFFFAOYSA-N 320.352 2.639 0 40 DFAB COc1ccc2o/c(=N\c3ccccc3OC)c(C(N)=O)cc2c1 194688 PVJWNZFMDLHXFB-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB CCCCN(C(=O)c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 4504372 KMUQVUMSXXQCBQ-INIZCTEOSA-N 323.458 2.733 0 40 DFAB COCc1ncn2c1CN(C(=O)c1cccc(Cl)c1)CCC2 2055713824 OZAZQILBRVZHGY-UHFFFAOYSA-N 319.792 2.729 0 40 DFAB O=C(N[C@H]1C[C@H]2CC[C@H]1N2Cc1ccsc1)c1ccco1 503832937 YDJDGQYUZPFSCS-HZSPNIEDSA-N 302.399 2.876 0 40 DFAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cnsn2)cc1 40151860 PYUMZXXJWWYHSN-UHFFFAOYSA-N 319.386 2.631 0 40 DFAB COC(=O)[C@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 30886654 BFSVDSLNKDWOEF-VIFPVBQESA-N 307.733 2.891 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 40526967 GLLZCVZVIAPNGJ-STQMWFEESA-N 319.405 2.781 0 40 DFAB Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cn1 40510519 MMZMJUMTKFAALT-UHFFFAOYSA-N 324.306 2.646 0 40 DFAB CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 32841512 KGLWNJQJGCQVIH-UHFFFAOYSA-N 311.204 2.861 0 40 DFAB CCOc1ccc2[nH]c3c(NCC(OC)OC)ncnc3c2c1 540756 JWOSWLGRZQPCHF-UHFFFAOYSA-N 316.361 2.541 0 40 DFAB CCn1c(C)cc(C(=O)N2CCN(c3nccs3)CC2)c1C 23009899 KTRFDOHXMSGWPO-UHFFFAOYSA-N 318.446 2.544 0 40 DFAB O=C1[C@H]2CSCN2C(=S)N1c1cccc(C(F)(F)F)c1 480317 AWAABSVLVVDGNV-SECBINFHSA-N 318.345 2.712 0 40 DFAB CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3ccc(C)cc32)C1 95423886 NVNHSSHJHOGOMM-GOEBONIOSA-N 302.418 2.809 0 40 DFAB Cc1n[nH]c(NC(=O)c2cc(Cl)ccc2OC(F)F)n1 79013192 YGRZXYBDYLUPHG-UHFFFAOYSA-N 302.668 2.620 0 40 DFAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)c2nnn[nH]2)c1C 4169444 CIWTVNQVIAPPAR-HNNXBMFYSA-N 321.384 2.782 0 40 DFAB COc1ccc(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 6747096 KNZLTMXSINSNLU-SJORKVTESA-N 304.342 2.723 0 40 DFAB CN(Cc1ccsc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 43417773 JFVMSTIMMNZBJK-UHFFFAOYSA-N 324.427 2.816 0 40 DFAB Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)on1 55944832 YKKNKTBPNCVEBF-HIFRSBDPSA-N 304.321 2.772 0 40 DFAB COc1cccc2c(=O)c(C(=O)N(C)Cc3ccccc3)c[nH]c12 44892576 ZHYYRBMUAJTOQW-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB CC1(C)COC2(CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)OC1 104191687 QPAWSHLGVYZCLH-KBPBESRZSA-N 307.434 2.814 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 44954576 SIMGZFKUXPUWCZ-ZDUSSCGKSA-N 300.383 2.799 0 40 DFAB O=C(CNc1cc2c(cc1Cl)OCCCO2)N1CCCCC1 58325089 MCNOQNJULAPPDW-UHFFFAOYSA-N 324.808 2.926 0 40 DFAB COc1ccc2nc(C)c(C(=O)NCc3cc(C)no3)cc2c1 58357579 GXEZSDNJTIOHFI-UHFFFAOYSA-N 311.341 2.778 0 40 DFAB Cc1ccn2cc(CNC(=O)[C@@H](C)OCCC(C)C)nc2c1 58355499 QIRBQFPFOVVSHY-CQSZACIVSA-N 303.406 2.710 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)NCCc1cccc(Cl)c1 27955072 ZTPGOEQUTLETLF-LBPRGKRZSA-N 316.854 2.591 0 40 DFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccncc1 10460294 DEGMRLATTVNDFA-UHFFFAOYSA-N 323.396 2.638 0 40 DFAB O=C(Oc1ccccc1)C1CCN(c2ccc(Cl)nn2)CC1 28018542 FNMHBBNSDPMMAC-UHFFFAOYSA-N 317.776 2.952 0 40 DFAB Cc1nc(C)c([C@@H](C)NCc2c(C)nn(C)c2N(C)C)s1 58416374 JMEBOFLBOSHVTO-SNVBAGLBSA-N 307.467 2.719 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CCCN(CCc3ccccn3)C2)n1 58427534 VCOZIUVTCOAIKN-INIZCTEOSA-N 324.428 2.678 0 40 DFAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1nnc2ccccn12 29076949 FFLIYLNFBGCFJA-GFCCVEGCSA-N 315.764 2.688 0 40 DFAB CN(Cc1nnc2ccccn12)C(=O)[C@H]1CCCc2ccccc21 60331713 PUEIAAFLNAZJIT-INIZCTEOSA-N 320.396 2.808 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1 2651501 YYMRJHWUUOXNBQ-STQMWFEESA-N 315.373 2.620 0 40 DFAB CSc1ncccc1C(=O)NC[C@H](O)c1cccc(Cl)c1 46688664 QCYDLUYRJQQDRU-ZDUSSCGKSA-N 322.817 2.920 0 40 DFAB Cc1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)s1 49071620 APPZLCUWKSOBCV-UHFFFAOYSA-N 303.383 2.687 0 40 DFAB CC[C@H](C)NC(=O)CCNCc1ccc(SC)c(OC)c1 63915368 IODGDXCEFGTIHI-LBPRGKRZSA-N 310.463 2.812 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nncn1C 6049377 MZOXGTVRKBDZJG-FRRDWIJNSA-N 311.451 2.911 0 40 DFAB CC(=O)N[C@@H]1c2c(ccc3ccccc23)OC[C@@H]1COC(C)=O 5186280 BUBFQPZBFCTNKK-KSSFIOAISA-N 313.353 2.589 0 40 DFAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)s1 6366960 NLWMGCNIPOWWJN-JTQLQIEISA-N 304.371 2.944 0 40 DFAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccccc1 14020825 NGXASKMNCICLPZ-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB Cc1noc([C@H](C)NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)n1 65565608 ZXOFTHLHYXNDAN-OZFHBANXSA-N 301.346 2.985 0 40 DFAB Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl 65516444 AEGRDFWMPAPNFB-OCCSQVGLSA-N 322.836 2.693 0 40 DFAB CCOc1ccc(/C=C/C(=O)N2CC[C@H](N3CCCC3)C2)cc1 65550784 SWSVHFVIYYXRAA-JEJOPICUSA-N 314.429 2.795 0 40 DFAB CCn1c(CNC(=O)Nc2nc(C)c(C)o2)nc2ccccc21 65770970 VLRHQLMQBNGSAJ-UHFFFAOYSA-N 313.361 2.983 0 40 DFAB CCc1noc(C)c1C(=O)Nc1ccc2c(c1)CCN2C(C)=O 14896724 QLXUANWCGQLIJB-UHFFFAOYSA-N 313.357 2.707 0 40 DFAB COc1cc(C(=O)Nc2cccc(N)c2)cc(OC)c1OC 19735988 YRCHZIFHRSZDDC-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@@H]([C@H](C)O)C2)c(C)c1 95431379 AHLUBSFYFSHVDT-JKSUJKDBSA-N 304.434 2.914 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2C[C@@H]1C 7535591 IXTYNCAMSIKDQD-IUCAKERBSA-N 320.443 2.579 0 40 DFAB COc1ccccc1NC(=O)CSc1nnc(C)n1C1CC1 7617292 MKAOJLXWDMMZKJ-UHFFFAOYSA-N 318.402 2.661 0 40 DFAB C[S@@](=O)C[C@H](NC(=O)c1cccnc1Cl)c1ccccc1 96445507 YBRNORQCZKIBKF-ZSEKCTLFSA-N 322.817 2.585 0 40 DFAB Cc1cccc(C2(C(=O)Nc3nnc(C(F)(F)F)[nH]3)CC2)c1 69513472 UEPUHFGBZRNYHY-UHFFFAOYSA-N 310.279 2.802 0 40 DFAB CCn1ccnc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 83843620 PQUSITZUUPGXOH-ZDUSSCGKSA-N 301.394 2.543 0 40 DFAB Cc1c(NC(=O)CCn2cncn2)cccc1OC1CCCC1 69813923 BBZMVFFTIMAULV-UHFFFAOYSA-N 314.389 2.937 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CO[C@H]1CCC[C@@H](C)C1 71902859 YAZFPYPWLVLPNH-ZBFHGGJFSA-N 307.438 2.752 0 40 DFAB Cc1ccc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)s1 69969241 QFKLOKCNUOSSFL-CQSZACIVSA-N 303.431 2.877 0 40 DFAB O=C([C@H]1COCCO1)N1Cc2ccccc2-c2ccccc2C1 72078349 IKJUUSXDFDEXKG-GOSISDBHSA-N 309.365 2.611 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Nc1cccc(CO)c1 72120237 MZTVYYSSHCEWIN-UONOGXRCSA-N 310.397 2.957 0 40 DFAB COC(=O)c1ccc(C(=O)N(C)c2ccc(F)c(Cl)c2)cn1 97084977 IPZVSYXFAGZNJK-UHFFFAOYSA-N 322.723 2.937 0 40 DFAB CCN1CCN(c2cc(CNc3cccc(C)n3)ccn2)CC1 97163273 VUGOTZZLZVFBGF-UHFFFAOYSA-N 311.433 2.539 0 40 DFAB CC(=O)Nc1nc(C(=O)N(C)[C@H](C)Cc2ccsc2)cs1 72311349 NDTJLWLXGUGBCV-SECBINFHSA-N 323.443 2.866 0 40 DFAB C[C@H](C(=O)NC1CCCCCC1)N1CCC(c2cn[nH]c2)CC1 97203017 FAKACCJSBFNQOI-CQSZACIVSA-N 318.465 2.817 0 40 DFAB COc1cc(CN[C@H]2CCCC[C@@H]2C(N)=O)ccc1SC 97375132 VTWFZIXVIQVLPA-STQMWFEESA-N 308.447 2.551 0 40 DFAB O=C(C[C@H]1OCCc2ccccc21)NC[C@H](O)C1CCCCC1 95959899 LPGZXIBQZPPZFY-ZWKOTPCHSA-N 317.429 2.748 0 40 DFAB C[C@H](CN1CCN(c2ccccc2)CC1)NC1CCSCC1 95968484 ATPBKHQWPGPPRZ-MRXNPFEDSA-N 319.518 2.682 0 40 DFAB O=C(O)c1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 95989466 ILVDBHMUIJTHNT-KRWDZBQOSA-N 324.380 2.988 0 40 DFAB COc1ccc(S(=O)(=O)n2cnc(C)c2)c2ccccc12 27588396 MCVQHWACRHSHBS-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB O=C(O)CC[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 73647530 KWFAWVZFWYLVBE-VIFPVBQESA-N 305.277 2.983 0 40 DFAB COc1cc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2cc1OC 64873617 QMLWGNJADDIUGA-UHFFFAOYSA-N 321.336 2.884 0 40 DFAB COc1ccccc1-c1ccc(N(C)C[C@@H]2CCCN2C)nn1 1506427569 NJGJALWYXHORIB-AWEZNQCLSA-N 312.417 2.683 0 40 DFAB CC[C@@H](N[C@@H](C)c1ccccn1)c1cccc(S(N)(=O)=O)c1 125964892 XSJWYIZAJTUWGP-SWLSCSKDSA-N 319.430 2.531 0 40 DFAB C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CNC(N)=O)cc2)C1 69869596 FNYWBRHHILCJSM-CYBMUJFWSA-N 323.396 2.694 0 40 DFAB C#CCOc1ccc2ccccc2c1[C@H]1N[C@H](C(=O)O)CS1 75259981 RZYWFZDUDGLAAX-BBRMVZONSA-N 313.378 2.640 0 40 DFAB COC(=O)/C=C\[C@@]1(CC(C)C)N=C(c2ccccc2)OC1=O 31771690 MWMMAQCHIURHLC-IBSYWUHOSA-N 301.342 2.504 0 40 DFAB COC[C@H]1CCCN(C(=O)CCOc2cc(C)cc(C)c2)C1 79051447 HSCBKBQMUBDMBJ-INIZCTEOSA-N 305.418 2.957 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H](Nc3ncccn3)C2)c1 1057746842 DECMTLQKIGJHTO-QGZVFWFLSA-N 324.428 2.739 0 40 DFAB C[C@@H](c1cccnc1)N1CCN(C(=O)CSC(C)(C)C)CC1 79353445 GJNIUXOOLGWREG-AWEZNQCLSA-N 321.490 2.819 0 40 DFAB O=C(CCOc1ccc(Cl)cc1)N1CCC[C@@H]1c1ncon1 566705975 FUMMHWHKPIPDPY-CYBMUJFWSA-N 321.764 2.856 0 40 DFAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 36076059 KXWHTGIUFPAXGD-VIFPVBQESA-N 304.173 2.620 0 40 DFAB COc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2C)c1 79029293 KQLMIRCFWZJGOY-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB O=C1C[C@H](c2ccc3c(c2)OCO3)Nc2cc3c(cc21)OCO3 79190923 IOWVMOVOGIWLFY-LLVKDONJSA-N 311.293 2.884 0 40 DFAB biogenic COc1ccccc1OC[C@H](C)NC(=S)Nc1cccnc1 225788334 YLTAXNLRMFUWJO-LBPRGKRZSA-N 317.414 2.844 0 40 DFAB CCC[C@](C)(OC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225884507 FQZYWRLDSCTJRO-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCC 225070381 WVXWVGDNFIPPKO-OAHLLOKOSA-N 304.434 2.773 0 40 DFAB CCN(CC)c1ccc(NC(=O)c2cc(OC)ncn2)c(C)c1 225528053 BWWAOMBZZYIKGI-UHFFFAOYSA-N 314.389 2.892 0 40 DFAB Cc1ccc(-n2cnnc2SCCCC(=O)N(C)C)c(C)c1 225622295 MPPLUXOEPWZESX-UHFFFAOYSA-N 318.446 2.845 0 40 DFAB Cn1c(SC[C@H](O)C(F)(F)F)nnc1-c1ccc(F)cc1 97378024 ANGBLXPKTNXGOE-VIFPVBQESA-N 321.299 2.637 0 40 DFAB C[C@@H](CS(C)(=O)=O)N[C@H](C)Cc1ccc2ccccc2c1 96491622 PQEOORLGBPUYKD-KGLIPLIRSA-N 305.443 2.794 0 40 DFAB O=C(C1CC=CC1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186453 VDOUCUWBIYALQI-IRXDYDNUSA-N 310.397 2.749 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 583616069 JCVXUDGYWOYTCZ-WMZOPIPTSA-N 315.369 2.801 0 40 DFAB Cc1ccccc1S(=O)(=O)N[C@H](C)c1nc2c(s1)CCC2 579690046 CSZODAGBLOOBJF-LLVKDONJSA-N 322.455 2.980 0 40 DFAB CCNC(=O)[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 96429300 WVCYIAWNUXSBOG-ZDUSSCGKSA-N 301.365 2.726 0 40 DFAB COc1cccc(CN2CC[C@@]3(CCN(CC4CC4)C3)C2=O)c1 96050690 IXUXJUZTFSLGKV-LJQANCHMSA-N 314.429 2.530 0 40 DFAB CCC(CC)NC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 96402399 KENQNGAGAWYHKZ-UHFFFAOYSA-N 315.373 2.797 0 40 DFAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cn[nH]c1 96413064 PQMWPVYAUJFDQQ-ZANVPECISA-N 308.769 2.961 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3nccs3)C[C@H]12 96100375 OQCHDABNZFQHRS-WMZOPIPTSA-N 313.470 2.991 0 40 DFAB c1coc(CN2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1 96187155 BVSKEUIIQOYBLZ-SQNIBIBYSA-N 314.385 2.623 0 40 DFAB CCn1c(CN2CCO[C@@H]3CCC[C@H]32)nc2cc(F)ccc21 230082228 KDXMFOZWTWFYRB-HZPDHXFCSA-N 303.381 2.949 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)Cc2ccc(F)cc2)cs1 96218819 LLNAUAWLFXPVON-OAHLLOKOSA-N 320.389 2.733 0 40 DFAB COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3)n2)cc1OC 95533892 IGAPCIITEGIQBV-HNNXBMFYSA-N 310.357 2.537 0 40 DFAB O=C(CCOCC(F)(F)F)NCC1(c2cccc(F)c2)CC1 96416688 CMRXDQGTUITCBO-UHFFFAOYSA-N 319.298 2.943 0 40 DFAB c1csc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2ccnc2)c1 96250225 LOOWRQSBBHDMPO-VNQPRFMTSA-N 303.431 2.624 0 40 DFAB Cc1occc1C(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1 248002410 GDDAPVGBQKDKCK-CYBMUJFWSA-N 307.415 2.715 0 40 DFAB COc1ccccc1CN(C[C@@H]1CCOC1)C[C@H]1CCCO1 248119400 DGLCVUKHMSYRQZ-DOTOQJQBSA-N 305.418 2.713 0 40 DFAB O=C(Cc1cccs1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252549247 QYRROILFVACRID-JOCQHMNTSA-N 317.414 2.587 0 40 DFAB CC(C)NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69700742 PSMCGUNTOQZASH-DOMZBBRYSA-N 310.825 2.626 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@H](CC)c2ccccc2)CC1 71987526 IDSICNIWZKMMGG-MRXNPFEDSA-N 302.418 2.651 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCCN2C 89894766 NPFYTGYCTQORBU-CYBMUJFWSA-N 319.449 2.988 0 40 DFAB COc1cccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)c1F 90420296 BESHTPKLTHXOFM-AWEZNQCLSA-N 320.408 2.925 0 40 DFAB C[C@@H](NC(=O)NCCC1(C)OCCO1)c1cc2ccccc2o1 97115800 FEXDXMYTRVWUEI-GFCCVEGCSA-N 318.373 2.946 0 40 DFAB CC(C)(C)OC(=O)N1CCC(COc2ncncc2F)CC1 1775967719 AJZLSBWHYIRETQ-UHFFFAOYSA-N 311.357 2.642 0 40 DFAB CCCCN(C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 5298126 INQKPBNVVKMZPP-AWEZNQCLSA-N 310.419 2.508 0 40 DFAB C1CCC(NCCOCCOCCNC2CCCCC2)CC1 5374566 GJTSFUUXUWRLIU-UHFFFAOYSA-N 312.498 2.864 0 40 DFAB O=C1COc2ccc(NC(=O)c3ccccc3Cl)cc2N1 12237058 PCZQSFNISFKXKB-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB Cc1cc(C)cc(NC(=O)CN2C(=O)COc3ccccc32)c1 15591488 GSPHTOLSJKNGGP-UHFFFAOYSA-N 310.353 2.668 0 40 DFAB C[C@H](Cc1ccccn1)NC(=O)Cc1ccc2c(c1)CCCO2 19457060 CBPUWQUIYYSGNX-CQSZACIVSA-N 310.397 2.697 0 40 DFAB O=C(/C=C\c1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12 5553933 WLZPAFGVOWCVMG-BAQGIRSFSA-N 322.364 2.951 0 40 DFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCCCC1 22465503 GMDJKQUWIMAWJN-HNNXBMFYSA-N 322.474 2.818 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 5937021 YTMHETJAENDOJW-UHFFFAOYSA-N 317.338 2.997 0 40 DFAB Cc1csc(SCCCNC(=O)Nc2ncccn2)n1 4941562 WMUJKQRXLCSRQE-UHFFFAOYSA-N 309.420 2.545 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1Cl 9820693 SPXABPFHNCVZGC-OAHLLOKOSA-N 314.772 2.658 0 40 DFAB Cc1ccc(-n2ncc3c(NC[C@H](C)O)ncnc32)cc1Cl 10386345 NFAAVAMQQWLMPO-JTQLQIEISA-N 317.780 2.570 0 40 DFAB CN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3F)ccc21 16916415 ZOCMRODZMLPHBK-UHFFFAOYSA-N 302.280 2.736 0 40 DFAB CCN(CC)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 2274666 PCAPQOSJHMCLHD-SSZFMOIBSA-N 312.369 2.919 0 40 DFAB COC(=O)c1cccc(C(=O)NCCSC2CCCC2)c1 40133646 HTVGJNOVVIXULP-UHFFFAOYSA-N 307.415 2.879 0 40 DFAB COc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1OC 30908562 SMVQXWSDEXZMFY-CQSZACIVSA-N 301.390 2.605 0 40 DFAB COc1ccc(-c2nnc([C@H](C)N3CCO[C@H](C)C3)o2)cc1 40479491 DRPPVSTYKASDDG-NEPJUHHUSA-N 303.362 2.527 0 40 DFAB CCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 144629 AMUFGJKIVIZXBN-VHSXEESVSA-N 320.414 2.707 0 40 DFAB Cc1ccn2c(C(=O)NCc3ccc(C(=O)O)cc3)c(C)nc2c1 31965363 XHTHYSNBNULZKD-UHFFFAOYSA-N 323.352 2.579 0 40 DFAB CCC[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 21005395 WDFOFDQVYLENMO-LBPRGKRZSA-N 301.390 2.859 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)CCC(=O)N2 32841617 XPDFJJJYQGXSCM-LBPRGKRZSA-N 312.369 2.915 0 40 DFAB Cc1cc(C)nc(NC(=O)c2cncc(Br)c2)n1 42209728 HYQIPECDVYDLNO-UHFFFAOYSA-N 307.151 2.503 0 40 DFAB CONC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 23041229 DXDNQSUKTBTVNB-UHFFFAOYSA-N 311.341 2.513 0 40 DFAB COc1ccc2oc(=O)c(C(=O)N3CCCC[C@@H]3C)cc2c1 811018 AAAZOTPSGDAGFW-NSHDSACASA-N 301.342 2.816 0 40 DFAB CC(=O)Nc1nc(-c2cc3ccc(O)cc3oc2=O)cs1 273809 DFXCLIRSWPSBMT-UHFFFAOYSA-N 302.311 2.581 0 40 DFAB biogenic CCC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1 421211 LZZJRVOJUKSPGW-UHFFFAOYSA-N 319.386 2.681 0 40 DFAB C[C@H](C(=O)NCC(=O)Nc1cccnc1)c1cc2ccccc2o1 79013176 VBZFAWJEWAKFNX-LBPRGKRZSA-N 323.352 2.686 0 40 DFAB CCOC(=O)c1cc2sc(NC(=O)c3ccco3)nc2o1 1573934 KYIGJDYQFZPSIT-UHFFFAOYSA-N 306.299 2.911 0 40 DFAB C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1cc(CO)c2ccccc21 4335238 GSICQWIHQDLBLI-YQQAZPJKSA-N 316.445 2.757 0 40 DFAB O=C(O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 4747789 ONFBOXNLBQHMNG-UHFFFAOYSA-N 309.321 2.988 0 40 DFAB CCCN1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 6656243 SBRIOKLGKXLNSS-KPKJPENVSA-N 321.354 2.870 0 40 DFAB COCCc1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 7718649 PRHCUCCMDHUNMC-UHFFFAOYSA-N 315.369 2.902 0 40 DFAB CCn1cnn(CN2CCN(c3cccc(C)c3)CC2)c1=S 12534414 ZHDZSORSBHVKFW-UHFFFAOYSA-N 317.462 2.522 0 40 DFAB O=C(O)COc1cccc(/C=N/NCc2ccccc2Cl)c1 8811826 VTNOYXJBLAAYQL-GIJQJNRQSA-N 318.760 2.927 0 40 DFAB CCCc1noc(CN2CCC[C@H](C(=O)N[C@H](C)CCC)C2)n1 106578146 KSUBQKCEPFIFFY-KGLIPLIRSA-N 322.453 2.539 0 40 DFAB Nc1nn(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc12 57963995 HBRAIKSJIRVYGS-UHFFFAOYSA-N 315.716 2.689 0 40 DFAB COCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 84714876 PHDNWMVPXQVFTM-KBXCAEBGSA-N 316.445 2.570 0 40 DFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC(C)C 10090722 NEXVUTOXRWPRCX-UHFFFAOYSA-N 310.401 2.957 0 40 DFAB COC[C@H](C)NC(=O)c1cccc(OCc2csc(C)n2)c1 27472389 LKQKYJIBKXRYNH-NSHDSACASA-N 320.414 2.795 0 40 DFAB Brc1cncc2[nH]cc(I)c12 44713231 WMRQXWSOBUQULT-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB in-vitro C[C@@H]1CCCN(C(=O)CSc2cnc3ccccc3n2)C1 3256518 OOAPYKLARLJPAY-GFCCVEGCSA-N 301.415 2.980 0 40 DFAB C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H](CO)c1ccccc1 95422567 IMJKTMZPCYDFSO-SUMWQHHRSA-N 316.376 2.866 0 40 DFAB CC(=O)c1csc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 106642738 AIYJZDLHMOGCSS-UHFFFAOYSA-N 322.411 2.980 0 40 DFAB COCCOC(=O)c1cn(C)nc1-c1coc2ccccc12 58281422 PUXQJYBNGCKTPP-UHFFFAOYSA-N 300.314 2.637 0 40 DFAB CCOC(=O)[C@H](N)[C@@]1(N2CCCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635523 JKFJQZJSVJKVBH-SAKMYQHLSA-N 322.493 2.948 0 40 DFAB Cc1ccsc1CN(C)CC(=O)Nc1ccnn1C(C)C 48261296 JARMQSDEIGNMPB-UHFFFAOYSA-N 306.435 2.904 0 40 DFAB Cc1csc(=O)n1CC(=O)N1CCCSc2ccccc21 48250155 RJVPJWPJXICYAL-UHFFFAOYSA-N 320.439 2.747 0 40 DFAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 12792565 QZRCVKDRCZCHKN-UHFFFAOYSA-N 313.357 2.612 0 40 DFAB O=C(c1cccc(Cl)c1)N1CCN(c2nccs2)CC1 12763357 QIACEYZZRSVBKJ-UHFFFAOYSA-N 307.806 2.759 0 40 DFAB COc1cc(CNC(=O)N(Cc2ccc(C)o2)C2CC2)ccn1 45494913 VCJITNJGXHDAPR-UHFFFAOYSA-N 315.373 2.866 0 40 DFAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cn1 28836244 JWPYRVGNOQYUJK-SECBINFHSA-N 319.748 2.903 0 40 DFAB Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 2455040 TYAINMIHJGKNSO-MRXNPFEDSA-N 317.414 2.580 0 40 DFAB CCN1CC[C@H]2OCCC[C@@]2(COCc2cccc(C)n2)C1 107712366 UPWTYKSDFTWTMY-MSOLQXFVSA-N 304.434 2.798 0 40 DFAB O=S(=O)(Cc1ccccc1)NCC1(c2ccc(F)cc2)CC1 11901955 HLVSWVSXCOFSCN-UHFFFAOYSA-N 319.401 2.977 0 40 DFAB COC(=O)C1CCN(C(=O)CCSc2ccc(C)cc2)CC1 10541866 XXNQRUIBVCAIQM-UHFFFAOYSA-N 321.442 2.889 0 40 DFAB Cc1cc(N(C)C)ccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 46675453 UZWGXYDGOOZFQH-QGZVFWFLSA-N 324.380 2.781 0 40 DFAB CSC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 12322448 LMJXZAXRPCVNLB-UHFFFAOYSA-N 311.414 2.997 0 40 DFAB Brc1ccc(OCCSc2ncn[nH]2)cc1 3442788 XQGRRMJPYMOJDW-UHFFFAOYSA-N 300.181 2.738 0 40 DFAB CCCCN(C)S(=O)(=O)N[C@H]1CCc2c(Cl)cccc21 49336173 CRRJOAKQRVIWFS-AWEZNQCLSA-N 316.854 2.894 0 40 DFAB CCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1 9033508 GEPXYKCPHHYFRX-UHFFFAOYSA-N 319.401 2.620 0 40 DFAB CCn1c(NC(=O)C2(CCOC)CC2)nc2cc(F)ccc21 96009677 GQALYQNTAYEZKH-UHFFFAOYSA-N 305.353 2.951 0 40 DFAB CCCN(CCCCOC(C)=O)CC(=O)Nc1ccccc1C 65476251 VZDXKKGMIBLMEO-UHFFFAOYSA-N 320.433 2.989 0 40 DFAB Cc1ncc(CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)s1 65492850 GMTZAQROBZPOMD-IINYFYTJSA-N 301.415 2.819 0 40 DFAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1 4471673 OSZQPHVESDBNIW-WJDWOHSUSA-N 306.321 2.990 0 40 DFAB COc1ccccc1OCC(=O)NCCc1c[nH]c2ccccc12 14241203 KBTRRVMLYQMOSC-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB COC(=O)CN(Cc1ccccc1C)C(=O)c1ccc(C)nc1 66292002 PGDWEZFXHHRVMK-UHFFFAOYSA-N 312.369 2.514 0 40 DFAB Cc1cccc2c1N(C(=O)c1ccnc(-n3ccnc3)c1)CC2 95435068 GTGWLYZHVQLEFQ-UHFFFAOYSA-N 304.353 2.779 0 40 DFAB CN1C(=O)C[C@H](COC(=O)C2=CCCC2)[C@@H]1c1cccs1 95415970 NTYFLZMEQAHSBW-IUODEOHRSA-N 305.399 2.921 0 40 DFAB C[C@@H](C(=O)OCC1CCCCC1)N1C(=O)c2ccccc2C1=O 21365519 XFJDFOBQGBPXJV-LBPRGKRZSA-N 315.369 2.795 0 40 DFAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1Br 7375531 HQVWNJMAQZBEFS-UHFFFAOYSA-N 306.225 2.692 0 40 DFAB O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)NC1CC1 7550456 BFRXQZKLLSXONS-UHFFFAOYSA-N 306.120 2.568 0 40 DFAB C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCO2 90803238 JQMDPBUDSOXHTB-UKRRQHHQSA-N 311.385 2.740 0 40 DFAB CCc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O 8132249 BKEZMZLYPIWMLZ-UHFFFAOYSA-N 307.353 2.818 0 40 DFAB Cc1nc(C2(NCc3nc(C4CC4)no3)CCCCC2)no1 71826828 XERGVYSIFGRFEL-UHFFFAOYSA-N 303.366 2.588 0 40 DFAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2C)c1 69414326 MGYMCWXYVQGYSZ-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB C[C@@H]1CCCC[C@H]1OCC(=O)NC[C@H](O)c1cccc(F)c1 71904790 KYWHBGUHNDJJOB-UHOFOFEASA-N 309.381 2.571 0 40 DFAB CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 69519651 AOSFVJHJEQKIME-OAHLLOKOSA-N 303.406 2.772 0 40 DFAB COc1cc(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)ccc1C 69624711 NZAALTZKUHVJLB-SJORKVTESA-N 316.445 2.631 0 40 DFAB Cc1cccc(OCCn2c(NCCO)nc3ccccc32)c1 9683162 UDHPDFUATCBISQ-UHFFFAOYSA-N 311.385 2.828 0 40 DFAB COc1ccc([C@H](C)N2CCC(CC(N)=O)CC2)cc1Cl 69708981 DERVDMVJAXSMKS-NSHDSACASA-N 310.825 2.997 0 40 DFAB Cc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2C)c(=O)[nH]1 97086250 CRWKMTIQGOEHHA-UHFFFAOYSA-N 323.352 2.534 0 40 DFAB C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 8733946 HLDWHDTVSJHTPE-JTQLQIEISA-N 311.316 2.553 0 40 DFAB CCOC(=O)C(=CNc1cccc2c1CCCC2)C(=O)OCC 8722733 PAEPPVSYMMVPCH-UHFFFAOYSA-N 317.385 2.987 0 40 DFAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(F)c(Cl)c1F 97138702 IQZMRGXLDBJGDO-SNVBAGLBSA-N 318.751 2.509 0 40 DFAB CSC[C@@H](C)NC(=O)NC[C@](C)(O)c1ccccc1Cl 97142724 VZBGUFIZBZBQAU-YGRLFVJLSA-N 316.854 2.598 0 40 DFAB 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CCc1nnc(NC(=O)NCc2ncc(C(C)(C)C)o2)s1 96445865 OFQLWHCUMWJUKQ-UHFFFAOYSA-N 309.395 2.708 0 40 DFAB COc1ccc(NCc2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1 95534861 QURKYBLMWHPRDF-INIZCTEOSA-N 323.400 2.668 0 40 DFAB O=C(CCN1CCC[C@H](n2cccn2)C1)c1ccc(F)cc1 96495498 AWCXQAIBXKVPMW-INIZCTEOSA-N 301.365 2.932 0 40 DFAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1cccc(Cl)c1 96519653 YBAYGMGATLUIKJ-VIFPVBQESA-N 317.621 2.940 0 40 DFAB C[C@H]1C[C@H]1c1ccc(CN2CCC(N3CCCNC3=O)CC2)o1 93669238 SVBONNCEBBGNIS-XJKSGUPXSA-N 317.433 2.783 0 40 DFAB C[C@@H](O)c1ccccc1NC(=O)c1cc(-n2cccn2)ccn1 97232655 SBXMKYKZTIPHQI-GFCCVEGCSA-N 308.341 2.573 0 40 DFAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)o1 96184568 IRKOMLAHXZMQOY-CABCVRRESA-N 317.414 2.534 0 40 DFAB CN(C)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 248133943 RAUQNVMHZHGDST-MRXNPFEDSA-N 304.825 2.655 0 40 DFAB COCC(=O)N1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C 257225472 FGIQMWUJONMMOG-LNLFQRSKSA-N 316.445 2.502 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)c2scnc2C)nc(C)n1 257231470 GGVFUIUOMSEPRW-GFCCVEGCSA-N 317.418 2.569 0 40 DFAB c1ccc(OCC[C@H]2CCOC23CN(Cc2ccoc2)C3)nc1 585102652 DYQNRWHSXVKVQM-INIZCTEOSA-N 314.385 2.735 0 40 DFAB COc1cccc2c1N(C(=O)Cc1c(C)noc1C)CCC2 30575276 CILPVOSPLBCCTR-UHFFFAOYSA-N 300.358 2.822 0 40 DFAB CC(C)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1 48332003 DBTRBLJOYHIHJJ-UHFFFAOYSA-N 302.418 2.639 0 40 DFAB C[C@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccc(F)cc2)C1 56502920 WOSVKUNZKZQSML-UONOGXRCSA-N 307.413 2.745 0 40 DFAB CC(C)(C)c1ccc(CCC(=O)NCCCc2nc[nH]n2)cc1 75144716 QYWMUMSWZXKOHM-UHFFFAOYSA-N 314.433 2.784 0 40 DFAB O=C(Nc1ccccc1)C(Cl)(Cl)C(=O)C(F)(F)F 96171743 FMBFFZJADNXZIE-UHFFFAOYSA-N 300.063 2.930 0 40 DFAB COc1ccc([C@@H](C)c2cc3c(cc2OCCO)OCO3)cc1 1582326 ONSKWNFMGCLCCZ-GFCCVEGCSA-N 316.353 2.947 0 40 DFAB O=C(Cn1c([C@H]2CCCO2)cc2cccnc21)NC1CCCC1 12085258 LITMMJPOCVECQU-MRXNPFEDSA-N 313.401 2.947 0 40 DFAB CC[C@@H](CN1CCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 12239721 IGAFTUKOZFDMNT-INIZCTEOSA-N 304.409 2.848 0 40 DFAB CCCn1cc2c(C(F)F)cc(N3CCC(N)CC3)nc2n1 12398926 RKPOZJNILZRENJ-UHFFFAOYSA-N 309.364 2.706 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 14257631 YYLSOXRZOGSPLN-UHFFFAOYSA-N 320.345 2.667 0 40 DFAB CC1=CC(C)(C)N2C(=O)[C@@]3(OC(=O)CS3)c3cccc1c32 17030685 ZIGMNLHKKLKZFH-MRXNPFEDSA-N 301.367 2.672 0 40 DFAB O=C(CC1CCN(CCc2ccccc2)CC1)NCC(F)F 19748259 BRSKZHNVMJLOBP-UHFFFAOYSA-N 310.388 2.713 0 40 DFAB C[C@H](NC(=O)c1conc1C(C)(C)N)c1cccc(F)c1F 568293102 FQCFXGKWWDWYBH-QMMMGPOBSA-N 309.316 2.638 0 40 DFAB CCc1nc2ccccc2n1CC(=O)NCc1nc(C)cs1 21482672 QRMYOKONKRXNOT-UHFFFAOYSA-N 314.414 2.680 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(C[C@H]2CCCCO2)CC1 1889065339 HOGURPNDLIHGDU-OAHLLOKOSA-N 324.856 2.600 0 40 DFAB O=C1CN(Cc2ccccc2)CC(=O)N1c1ccc(Cl)cc1 13843926 VEABIRGPHASOAZ-UHFFFAOYSA-N 314.772 2.715 0 40 DFAB FC(F)(F)c1cc(C2CCN(C3CCOCC3)CC2)[nH]n1 2037834939 JVIRSUMQOHMXMH-UHFFFAOYSA-N 303.328 2.787 0 40 DFAB Cc1cc(Cl)ccc1S(=O)(=O)n1nnc2ccccc21 53224 ONEQYMSRAHULQQ-UHFFFAOYSA-N 307.762 2.630 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1ccc(F)c(F)c1 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Cn1c(SCc2ccccc2F)nnc1-c1cnccn1 533348 YXIOVELXHUQZAS-UHFFFAOYSA-N 301.350 2.704 0 40 DFAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=S)NC 549014 ZDNKAPSESZDSKA-UHFFFAOYSA-N 311.794 2.914 0 40 DFAB CC(=O)Cc1nc(N)nc(Nc2ccc(Cl)c(Cl)c2)n1 1597007 RTGKKLYPMXJDNH-UHFFFAOYSA-N 312.160 2.636 0 40 DFAB COc1ccc2c(c1O)[C@]1(CCN(C)C)CC(=O)CC[C@@H]1C=C2 1721263 ZWNYBWZHYOGFEA-IFXJQAMLSA-N 315.413 2.986 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(C)c2)n1C 3400298 YWHWFUKOXARBBQ-GFCCVEGCSA-N 318.446 2.797 0 40 DFAB Fc1ccc(-n2c(S)nnc2CSc2ncccn2)cc1 5906864 NMDATEPDJDKNIH-UHFFFAOYSA-N 319.390 2.777 0 40 DFAB COc1ccc(OC[C@H](O)CN2CCCC2)c(C(C)(C)C)c1 6306039 UTEIJTKWZBHNHF-CQSZACIVSA-N 307.434 2.828 0 40 DFAB O=S(=O)(NC1CCCC1)c1cccc(Br)c1 7375646 NVEATWMNDKYIDN-UHFFFAOYSA-N 304.209 2.670 0 40 DFAB Cc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1 7492371 JQTGCBIXPYSIHT-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB CC(C)(C)C(=O)NCC(=O)Nc1cccc(Br)c1 8276062 OZKPQQKYVAFRRJ-UHFFFAOYSA-N 313.195 2.550 0 40 DFAB CCn1nnnc1NCc1ccc(OCc2ccccc2)cc1 8340061 RGPQTGJTACKDBR-UHFFFAOYSA-N 309.373 2.884 0 40 DFAB CC(=O)NCCc1ccc(-c2csc(NC(C)=O)n2)s1 9952028 VASWSLRJBIYOHP-UHFFFAOYSA-N 309.416 2.509 0 40 DFAB O=C(COC(=O)C1CCC1)Nc1ncc(Cl)cc1Cl 10808619 XIKVYGNGVIUJGP-UHFFFAOYSA-N 303.145 2.670 0 40 DFAB CCC[C@H](C(=O)Nc1nc(CC(N)=O)cs1)c1ccccc1 10908195 VBIKBMGOTHSQDL-ZDUSSCGKSA-N 317.414 2.693 0 40 DFAB CCc1n[nH]c(C(=O)N2CCc3ncc(Cl)cc3C2)c1C 12221267 ZXUBVGLMEBIWAL-UHFFFAOYSA-N 304.781 2.527 0 40 DFAB CCOC(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 12568155 DQUGCNRXIJACDJ-UHFFFAOYSA-N 318.373 2.696 0 40 DFAB CCCCN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 12984501 HWCHLWNUUZFHSH-OAHLLOKOSA-N 304.390 2.676 0 40 DFAB C[C@@H](CC(=O)Nc1nc2ccccc2[nH]1)NC(=O)c1ccccc1 14048501 JKTZOVCEAVVSQJ-LBPRGKRZSA-N 322.368 2.710 0 40 DFAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccccc1Cl 15553789 PXISMPVYAMZNKM-UHFFFAOYSA-N 306.749 2.573 0 40 DFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)C(C)(C)C)ccc21 17316334 XXBVOBHPWWCFGE-UHFFFAOYSA-N 324.446 2.774 0 40 DFAB Cc1nn(C)cc1/C=C1/N=C(S)N(C2CCCCC2)C1=O 18217690 YQMQHHLFGFTFRZ-MDWZMJQESA-N 304.419 2.530 0 40 DFAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(CC)CC1 22030760 LFJDZSWKYXYRJY-IRXDYDNUSA-N 320.477 2.577 0 40 DFAB CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 22389089 BBIYJWZBBLOFIV-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB O=C(COC(=O)c1cccs1)NCC1(c2ccccc2)CC1 22736912 DECMUFZFBWWCEC-UHFFFAOYSA-N 315.394 2.753 0 40 DFAB Cc1ccc(N2C(=O)N(C[C@H](O)c3ccccc3)C(=O)[C@H]2C)cc1 24087466 PDJHEYLCQWJYRD-PBHICJAKSA-N 324.380 2.886 0 40 DFAB COc1ccccc1CN(C)Cc1csc(NC(C)=O)n1 24794960 QWOFZSWELPXOKG-UHFFFAOYSA-N 305.403 2.742 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C 25754635 PYFWJFIQKISBDZ-JKSUJKDBSA-N 320.477 2.988 0 40 DFAB Fc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccccc1 26624290 WHYDVWDUZABWAO-UHFFFAOYSA-N 309.348 2.754 0 40 DFAB O=C(O)CCN1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1 26770618 BOHJBUVCUOMMQL-SSZFMOIBSA-N 320.348 2.791 0 40 DFAB CCC(C)(C)NC(=O)COC(=O)c1c(C)[nH]c2ccccc12 27813150 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Cc1ccc(-c2cc(CNC(=O)NC[C@H]3CCCO3)on2)cc1 42867832 SIZZDNYQZCSUAD-CQSZACIVSA-N 315.373 2.628 0 40 DFAB Cc1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)s1 44968280 PUDJKCGXWLLTJB-UHFFFAOYSA-N 319.430 2.677 0 40 DFAB COc1ccc(CN(C)C(=O)NCc2csc(C)n2)cc1F 45342239 OOZFXFWQRZNTGB-UHFFFAOYSA-N 323.393 2.941 0 40 DFAB C[C@H](CNS(=O)(=O)c1ccc(F)cc1)N(C)c1ccccc1 45745458 MJJKHBPRXZASOY-CYBMUJFWSA-N 322.405 2.629 0 40 DFAB CCN(C(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 46082548 NARSNPLQGBKRBI-UHFFFAOYSA-N 323.440 2.862 0 40 DFAB CC(=O)N(C)CC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 46210725 MDODUMPRGJTFEI-GOSISDBHSA-N 314.360 2.510 0 40 DFAB CC(=O)NCCCCCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 52798350 XCWXFEVQJCNWJI-UHFFFAOYSA-N 314.389 2.712 0 40 DFAB Cc1n[nH]c(C(=O)NCCc2cccs2)c1Br 54675477 OURXXDARRMRQBW-UHFFFAOYSA-N 314.208 2.515 0 40 DFAB CN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1F 57355035 GAIKHRWICHODOO-WMLDXEAASA-N 318.392 2.794 0 40 DFAB CCCN1C(=O)c2ccccc2N[C@@]12C(=O)N(C)c1ccccc12 58185070 GWNJCKUDSYCARI-LJQANCHMSA-N 321.380 2.794 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CCOc1ccc(NC(=O)N[C@H](C)c2nc(C)no2)cc1C 69651971 IMVMCJNLXNMIJS-SNVBAGLBSA-N 304.350 2.968 0 40 DFAB CCN(C(=O)c1cccc(C)n1)[C@H]1CCN(c2ccccc2)C1=O 69618872 YIMDFQISLZXNLQ-KRWDZBQOSA-N 323.396 2.658 0 40 DFAB Cc1nn(C)c(Cl)c1CN1CCO[C@H](c2ccccc2)C1 84012386 PTIFGFLCSYJLDU-HNNXBMFYSA-N 305.809 2.955 0 40 DFAB C[C@H](CN[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 97033375 YNJMRZGZIXXQKP-ONERCXAPSA-N 317.401 2.624 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)[C@@H]1COc2ccccc2C1 72296936 XUFHYXBCJOOMIR-HOCLYGCPSA-N 312.413 2.714 0 40 DFAB C[C@@H](CC(=O)NC(C)(C)C(N)=O)c1cccc(C(F)(F)F)c1 72291384 MGTREXSOXVMHCY-VIFPVBQESA-N 316.323 2.579 0 40 DFAB CN(Cc1nc[nH]n1)C(=O)CCSc1ccccc1Cl 72290527 RTTWCTNYTOKFOA-UHFFFAOYSA-N 310.810 2.599 0 40 DFAB Cc1ncsc1C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 95991340 KDMILOURWZPQKU-JYHUIVOISA-N 310.419 2.503 0 40 DFAB CCc1ccsc1C(=O)N1CCOC[C@H]1c1cccn1C 97144051 ALIGMENXPMYUOS-AWEZNQCLSA-N 304.415 2.863 0 40 DFAB Cn1cc(-c2ncc(C(=O)NCCC3CCCC3)s2)cn1 84318865 SOINOQCDYDQCRA-UHFFFAOYSA-N 304.419 2.854 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 97378773 XDTONZQBWRRHPD-YOEHRIQHSA-N 303.406 2.857 0 40 DFAB COC(=O)c1sccc1Cn1ccc(=O)c2sccc21 89404215 FMNSIQVKUNELPZ-UHFFFAOYSA-N 305.380 2.959 0 40 DFAB COC(=O)[C@H](NCc1nc(C)c2ccccc2n1)C(C)(C)C 89568327 PZWFHGQDCNEKBY-HNNXBMFYSA-N 301.390 2.616 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c(=O)[nH]1 75120556 DNKLRQPZDKBFBI-INIZCTEOSA-N 310.397 2.921 0 40 DFAB Cc1nc(C)c(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)o1 89742335 YBWOBUNECDJRHL-UHFFFAOYSA-N 318.402 2.890 0 40 DFAB COc1ccc(Cl)cc1NC(=O)c1cnc2ccnn2c1C 38829558 LWBGCLBGECGLSK-UHFFFAOYSA-N 316.748 2.952 0 40 DFAB O=C(O[C@H](C(=O)NC1CCCC1)c1ccccn1)c1ccco1 35315833 USJXFKMVIQNDJN-HNNXBMFYSA-N 314.341 2.632 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC(Nc3cccnc3)CC2)s1 69812578 LUOIPPXYCOXPSI-UHFFFAOYSA-N 316.430 2.872 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1F 32585490 PDBUMJLHZKFYTF-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB Cc1[nH]ncc1C(=O)NC1(c2ccc(Br)cc2)CC1 78999073 FACAODJPSKIFCU-UHFFFAOYSA-N 320.190 2.900 0 40 DFAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2CCNCC2)c1C 72341695 YDGKKBKHUQOGOK-UHFFFAOYSA-N 321.428 2.731 0 40 DFAB CCc1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 78736779 HGKRIEFAWFNICH-SNVBAGLBSA-N 308.403 2.893 0 40 DFAB CCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 79309617 ZHZJTVZYRXMILB-JTQLQIEISA-N 302.296 2.690 0 40 DFAB CCC(CC)N(C1CC1)S(=O)(=O)c1ccc(C(=O)O)s1 564923887 WZHCGRGGBQQVSV-UHFFFAOYSA-N 317.432 2.788 0 40 DFAB CC[C@@H](COC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 78556657 CHBDHAWBLQCFRY-DZGCQCFKSA-N 304.390 2.514 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCC[C@H](O)c1ccco1 72242729 RMSRDRUXGHRLEI-LBPRGKRZSA-N 309.749 2.795 0 40 DFAB Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(C)c(C)c2)on1 72395114 BHEPQIZWCHAJHL-SJLPKXTDSA-N 300.402 2.947 0 40 DFAB CCc1ccc(C(=O)N2CCCN(c3nccs3)CC2)o1 71830678 RRDUFTDBYLDWLN-UHFFFAOYSA-N 305.403 2.651 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1 224887732 LOZHJYVKZUDGTF-UHFFFAOYSA-N 318.398 2.779 0 40 DFAB CCS(=O)(=O)N1c2ccc(Br)cc2C[C@@H]1C 223024951 ZZTRVKAZRQGKAI-QMMMGPOBSA-N 304.209 2.550 0 40 DFAB COc1cccc(NC(=O)NCC[C@H](O)C(C)(C)C)c1OC 75157878 GZCUCDVUYZKOOG-ZDUSSCGKSA-N 310.394 2.622 0 40 DFAB C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1F 195542655 JUJOBZOKIPCSIG-LRDDRELGSA-N 315.344 2.741 0 40 DFAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc2oc(=O)n(C)c2c1 87232850 MMUYYHKCIBUZJE-LBPRGKRZSA-N 320.389 2.911 0 40 DFAB Cc1ccc2[nH]c(CNC(=O)c3coc(CC4CC4)n3)nc2c1 190483167 YULFIQGWVOUJSL-UHFFFAOYSA-N 310.357 2.742 0 40 DFAB C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)CCO2 42723184 YYPKKOZTQMDMFS-CQSZACIVSA-N 302.418 2.616 0 40 DFAB CCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 42646370 HIPROLPMUXLAIP-UHFFFAOYSA-N 313.195 2.612 0 40 DFAB CC[C@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@@H](CC)O1 333532364 MJXCTROCGLCIBY-BETUJISGSA-N 321.421 2.652 0 40 DFAB Cn1cccc1C(=O)N1CCC2(CCCN2CC2CC2)CC1 96075233 IUNANSQFKHZSLA-UHFFFAOYSA-N 301.434 2.506 0 40 DFAB C[C@@H](O)CCN(C)C(=O)NCC1(c2cccs2)CCCC1 95426921 CNSCPCRUZIPBSB-CYBMUJFWSA-N 310.463 2.972 0 40 DFAB CN1C(=O)C2(CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 96100255 KPVXBAWTAPHUJJ-SFHVURJKSA-N 321.424 2.877 0 40 DFAB CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1)c1ccccc1 96425750 QWUOXZOSJQIVQV-SFHVURJKSA-N 322.408 2.787 0 40 DFAB CCCc1nnc(NC(=O)NCc2nc(C)c(C)s2)s1 96433824 KUSHHOREALWJFK-UHFFFAOYSA-N 311.436 2.886 0 40 DFAB Cc1ccoc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 96466925 SITIWFZFHMVSNM-OAHLLOKOSA-N 313.353 2.702 0 40 DFAB COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCOC2)cc1F 96416788 CJFGSAXMDTVSBZ-GFCCVEGCSA-N 319.332 2.997 0 40 DFAB c1ccc(-c2cnc3n2CCNC32CCN(CC3CC3)CC2)cc1 96037107 ZYFPMDROQCARFV-UHFFFAOYSA-N 322.456 2.854 0 40 DFAB CCN(CC)c1ncc(CN2CC[C@@H]3OCCC[C@H]3C2)s1 245339220 RHPAYJOOPHGBEA-ZFWWWQNUSA-N 309.479 2.990 0 40 DFAB Cn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccco3)ccc21 252483378 DZXWWZPDGSDBFI-UABRLCRWSA-N 310.353 2.634 0 40 DFAB CCC(=O)N1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257308359 TWLKEHKOJCHLHP-UHFFFAOYSA-N 317.414 2.511 0 40 DFAB CC(=O)N1CCC(c2cc(-c3c(C)noc3C)nc(C)n2)CC1 257324880 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Cc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c1 5634038 OJVRJANAHIOVCV-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB CN(Cc1c[nH]nc1C(C)(C)C)Cc1n[nH]c2c1CCCC2 12143736 LVKRSRGKZGAXDO-UHFFFAOYSA-N 301.438 2.941 0 40 DFAB O=C(NCCC[C@H]1CCOC1)c1cnn(-c2ccc(F)cc2)c1 12204105 NMMWSIMUMYRPJK-ZDUSSCGKSA-N 317.364 2.558 0 40 DFAB CCc1nccn1S(=O)(=O)c1cc(C(C)C)ccc1OC 7425066 URWPOUYBMWNFMW-UHFFFAOYSA-N 308.403 2.815 0 40 DFAB CC(C)(C)OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3344929 NDCCNBLRJJCVCJ-UHFFFAOYSA-N 319.382 2.690 0 40 DFAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCO3)c2cc1C 7034015 FMFUHCOYNSXTML-AWEZNQCLSA-N 302.326 2.632 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c(F)c1 13300096 VRQWKKUIAIEVPE-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB CCc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1 4392323 DUGAEAYYOWJIHC-UHFFFAOYSA-N 324.471 2.843 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1cccs1 40497550 PDMSUQKOERDJKF-QWHCGFSZSA-N 316.430 2.632 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H](O)C1 40513984 GCJKYLAWCGJRCY-AWEZNQCLSA-N 316.426 2.639 0 40 DFAB CC(=O)Nc1nc(C(=O)N[C@H]2CCc3ccccc32)cs1 40505555 XTIMFZIJJQATTB-LBPRGKRZSA-N 301.371 2.519 0 40 DFAB CCc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 101279252 CBDMMLUXXBUSJP-WYJHLCISSA-N 311.381 2.956 0 40 DFAB Cc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)n1 32818699 SLCNRVPGPLSRDP-UHFFFAOYSA-N 317.732 2.627 0 40 DFAB Cc1ccsc1C(=O)NCc1ccccc1Cn1cncn1 32818638 HPTRKOUWMPPTBR-UHFFFAOYSA-N 312.398 2.626 0 40 DFAB C[C@@H](NC(=O)CCCNc1ncccn1)c1ccc(F)cc1F 32926125 IZAVSRDSVDBSCQ-LLVKDONJSA-N 320.343 2.824 0 40 DFAB COc1ccccc1OCCOc1ccc(S(C)(=O)=O)cc1 53516115 WFQPFJVHICIXOM-UHFFFAOYSA-N 322.382 2.557 0 40 DFAB COc1cc(CNCCc2nc(C)cs2)cc2c1OCCO2 42228508 FKJRMUHRKIKDRM-UHFFFAOYSA-N 320.414 2.564 0 40 DFAB Cc1cccc(NC(=O)CNC(=O)c2ccc3[nH]cnc3c2)c1C 12520273 PTZFZOVOGCKIHI-UHFFFAOYSA-N 322.368 2.548 0 40 DFAB Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)n1C(C)C 54691933 BMKFYLUYPCRWEP-MRXNPFEDSA-N 313.401 2.642 0 40 DFAB CCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)OC)c2)cc1 1006640 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CC(=O)c1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 9876445 OBPYFLDCGXVHJO-ZDUSSCGKSA-N 305.447 2.517 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)COc2c(C)nn(C)c2C)cc1 76040161 VXHBVQCSYXCEKB-GFCCVEGCSA-N 315.417 2.856 0 40 DFAB Cc1ccnn1-c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 48265574 CBXRBSZHYOLIBR-UHFFFAOYSA-N 324.428 2.537 0 40 DFAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)C(=O)NCc1ccco1 58280641 YXWHCDRSWKCCTB-SECBINFHSA-N 324.739 2.507 0 40 DFAB CCN(C(=O)c1cnccn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 58282441 FODNHVCIMLLQIU-DOTOQJQBSA-N 324.428 2.774 0 40 DFAB COc1ccc(-c2cc(C(=O)N3CCCCC3)n[nH]2)c(OC)c1 57477116 CIYYNZNKAVMGPH-UHFFFAOYSA-N 315.373 2.720 0 40 DFAB O=c1c2sccc2ncn1CCN1CCc2ccccc2C1 75147449 GBFOVGJHBBUYRJ-UHFFFAOYSA-N 311.410 2.516 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCc2sccc2C1 28406786 ROGFVWCKUDGHHK-AWEZNQCLSA-N 314.410 2.820 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)cc2F)no1 28879132 AGSBSJIXQZSZHF-ZJUUUORDSA-N 309.316 2.939 0 40 DFAB CCN(CC)[C@H](CNC(=O)N1CCSCC1)CC(C)C 59297077 KVJQHBBJBOUJJH-AWEZNQCLSA-N 301.500 2.501 0 40 DFAB Cc1cccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)c1 3457435 PEVCQKNAHPLHRC-SNVBAGLBSA-N 307.400 2.998 0 40 DFAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(N)=O)s1 3470145 NVKNAVLPTLAKAJ-QMMMGPOBSA-N 324.431 2.646 0 40 DFAB Cc1ccccc1NC(=O)Cn1nc(-c2cccs2)oc1=O 12945862 GYGDFSWLFYEXAX-UHFFFAOYSA-N 315.354 2.512 0 40 DFAB COc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 13011257 JRZSJRPWGQGCTB-GOSISDBHSA-N 324.424 2.628 0 40 DFAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1C[C@H]1CCCO1 13655723 OCCDFJFHTRHWQA-SECBINFHSA-N 303.749 2.710 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(F)c(F)c1 6012433 SCKRXYRSNRNQFZ-GQCTYLIASA-N 307.252 2.753 0 40 DFAB CC(=O)N1CCCN(C(=O)/C=C(\C)c2ccccc2Cl)CC1 96292627 COOQVPGEEZYZPQ-OUKQBFOZSA-N 320.820 2.824 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924659 COFBJCYXZVMUMB-DYALKNRASA-N 322.449 2.937 0 40 DFAB CCCCS(=O)(=O)Nc1ccc(NCc2cnn(C)c2)cc1 95429279 ZGDUFALEMHJTQL-UHFFFAOYSA-N 322.434 2.574 0 40 DFAB COc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccncc2)cc1 96418467 DPTKWJKPTNGRCM-QGZVFWFLSA-N 312.369 2.802 0 40 DFAB CC(C)OCCCNC(=O)c1ccc(NC(=O)C(C)C)cc1 4834650 RJLDEUHWQHCCNJ-UHFFFAOYSA-N 306.406 2.826 0 40 DFAB Fc1ccc2c(c1)[C@H](NCCn1cnnc1C1CC1)CCCO2 90033584 SPVSYEAZNADTFK-OAHLLOKOSA-N 316.380 2.798 0 40 DFAB Cc1ccnn1-c1cccc(NC(=O)NCc2ccncc2)c1 71857055 JJIVJRXMVFUOGD-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB O=C(Cn1cccn1)Nc1ccc(Oc2ccc(F)cc2)cn1 71847572 YQUGMDDVKMIAJY-UHFFFAOYSA-N 312.304 2.848 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCO[C@@H]2CCC[C@H]21 71823520 RHKDNMSYMRNJRZ-IAGOWNOFSA-N 316.376 2.938 0 40 DFAB O=C(NCCc1ccc(F)cc1)NC[C@@H](O)c1cccc(F)c1 69072342 BDZIFZRSYJFROP-MRXNPFEDSA-N 320.339 2.540 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)COC2CCCCC2)n1 70040873 RMIMLTPPTRXFRH-INIZCTEOSA-N 319.449 2.840 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(CC)c1C 69491813 JEEMYDXPLXRQFC-CVEARBPZSA-N 318.465 2.609 0 40 DFAB COC[C@@](C)(NC(=O)c1ccc(O)cc1F)c1ccccc1 97046610 HFVARCYPJMZGIB-QGZVFWFLSA-N 303.333 2.823 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 97050062 JQJZUMCFQOQXTQ-SNVBAGLBSA-N 301.795 2.800 0 40 DFAB Cc1nsc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 84286886 UWIKFCYZCSWLFB-VIFPVBQESA-N 304.375 2.976 0 40 DFAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(N(C)C)ccn1 97101866 PRGDMLRKTHSPIW-UHFFFAOYSA-N 323.356 2.758 0 40 DFAB COc1ccc2c(c1)CN(C(=O)Nc1ccncc1F)CC2 97135535 VWKUZSLFJKNMQK-UHFFFAOYSA-N 301.321 2.820 0 40 DFAB Cc1noc2ncc(NS(=O)(=O)/C=C/c3ccccc3)cc12 72301065 JWELUMKKUCEERJ-BQYQJAHWSA-N 315.354 2.944 0 40 DFAB COC(=O)[C@@H](C)N(C(=O)/C=C/c1cncc2ccccc12)C1CC1 84545007 HBBVLIFURKLQJI-UTSBKAFOSA-N 324.380 2.801 0 40 DFAB CCSCC[C@H](C)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 74912041 WFTMWEUJOLYJHZ-QWHCGFSZSA-N 310.467 2.830 0 40 DFAB O=C(O)CCn1cc(C(=O)O)c(-c2cccc3ccccc23)n1 27642650 LYVSFTIBVJSSOA-UHFFFAOYSA-N 310.309 2.876 0 40 DFAB CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CCCC[C@@H]2O)cc1 516970391 MANSJZFMMIXTFD-SZMVWBNQSA-N 321.461 2.617 0 40 DFAB Cc1cc(NC(=O)N[C@]23C[C@H]2COC3(C)C)nn1[C@@H](C)C1CC1 529055874 LECOBIRLSVNOOP-PLQHRBFRSA-N 318.421 2.852 0 40 DFAB CCOC(=O)N1CCC(OC(=O)/C=C/c2cnc(C)s2)CC1 78996160 CPPPIGATDUGWJG-SNAWJCMRSA-N 324.402 2.629 0 40 DFAB O=C1OCCN1c1cccc2c1CCN(CCc1ccccn1)C2 75917559 HOHHQJRYGCSVAL-UHFFFAOYSA-N 323.396 2.639 0 40 DFAB O=C(NC[C@@]1(O)CCc2ccccc21)c1cc2ccccc2o1 75155654 XRXXOBPBFTYSEI-IBGZPJMESA-N 307.349 2.997 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 34918464 UHVNJDSSDPRUHN-CYBMUJFWSA-N 304.390 2.528 0 40 DFAB O=C(CC1CCNCC1)N1CCC(c2ccccc2F)CC1 567902296 LCOOWUHIASETNM-UHFFFAOYSA-N 304.409 2.921 0 40 DFAB N=C(NC(=S)Nc1ccccc1)N1CCc2ccccc2C1 575422336 JJPVBELWNSZEAV-UHFFFAOYSA-N 310.426 2.966 0 40 DFAB COc1nc(C)c(NC(=O)Cc2ccc(Cl)cc2)c(C)n1 224338906 KSNXRZXIVKCDQC-UHFFFAOYSA-N 305.765 2.937 0 40 DFAB O=C(CNC[C@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 195543147 GVWZGHONWUJJNL-QGZVFWFLSA-N 318.417 2.715 0 40 DFAB O=C1C[C@H](c2noc(-c3ccco3)n2)CN1c1cccc(F)c1 44213936 YRVXSABPNPEAOJ-JTQLQIEISA-N 313.288 2.989 0 40 DFAB COc1ccccc1CCCNC(=O)COc1ccc(F)cc1 222782348 HUJRNNQGCNJAKD-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB C/C(=C\C(=O)NCC[S@](C)=O)c1cccc(C(F)(F)F)c1 98013935 IOVFNDFNAJXNSF-ZQAUEJBPSA-N 319.348 2.603 0 40 DFAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCC2)C1 96208851 IOMQUVBTACSPAR-SJLPKXTDSA-N 320.433 2.557 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@@H]1CCCOC1 96418900 QXVKKARLAYTLCU-LLVKDONJSA-N 324.218 2.981 0 40 DFAB COC(=O)CN1CCC(Nc2cc(C)cc3cccnc23)CC1 97371794 IZOZNHMPVPSIAH-UHFFFAOYSA-N 313.401 2.593 0 40 DFAB CC[C@H]1C[C@@H](C(=O)Nc2ncnc3[nH]c(C)c(C)c23)CCO1 97084578 UICGSTSBBFKOCR-RYUDHWBXSA-N 302.378 2.718 0 40 DFAB C[C@H](CNC(=O)N[C@H](CO)c1ccccc1)c1cccs1 96496918 SVVMHOIXAKMNOO-TZMCWYRMSA-N 304.415 2.884 0 40 DFAB C1CC(N2Cc3nnn(CC4CC4)c3[C@@H](COCC3CC3)C2)C1 96045649 CEWRIORHLPFJNJ-OAHLLOKOSA-N 316.449 2.566 0 40 DFAB C[C@H]1CCO[C@@H]1C(=O)Nc1cc(Br)ccc1O 97228856 MUZBTXQYPKVADS-CPCISQLKSA-N 300.152 2.518 0 40 DFAB O=C(c1ccco1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039814 CIZWLHNTTZUYMW-AEFFLSMTSA-N 319.401 2.718 0 40 DFAB COC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 96179329 WQGGROBXGHKZSO-UHFFFAOYSA-N 311.259 2.702 0 40 DFAB CCc1csc(NC(=O)NC[C@@H](O)c2ccccc2F)n1 96435576 PJHPDBBFBLKDJV-GFCCVEGCSA-N 309.366 2.700 0 40 DFAB COCC[C@H]1CCOC12CCN(Cc1scnc1C)CC2 248019125 ILZMZMWCYFOMAC-AWEZNQCLSA-N 310.463 2.859 0 40 DFAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)N4CCCC4)[C@@H]32)Oc2ccccc21 248073064 YUBLAKCRLAIHHY-TWILYEHCSA-N 311.381 2.669 0 40 DFAB O=C(Nc1ccc2cn[nH]c2c1)c1ccnc(OCC2CC2)c1 253471925 GQOBZPMAZWBFHG-UHFFFAOYSA-N 308.341 2.999 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 257250529 JMXIPPPIWOPFJA-AWEZNQCLSA-N 313.401 2.675 0 40 DFAB Cc1nc(C2CCNCC2)ncc1C(=O)Nc1ccc(F)cc1 257197828 KHFXCPJNDLBLSJ-UHFFFAOYSA-N 314.364 2.643 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cccc(C3CC3)n2)C[C@@H](C)[S@]1=O 296834122 JISPEFNDDAEGCX-WBVVSNMSSA-N 321.446 2.722 0 40 DFAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2c[nH]nc2C)C1 585274426 KWPXAMXEXBBVCJ-QGZVFWFLSA-N 319.380 2.527 0 40 DFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN1 953000177 DYQBMKZJMGNPRM-HXUWFJFHSA-N 323.440 2.938 0 40 DFAB CC(C)(C)c1cc(NC(=O)CNC(C)(C)c2nccs2)on1 72662468 TVNHKPCABQCYBZ-UHFFFAOYSA-N 322.434 2.892 0 40 DFAB COC[C@@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(C)o1 81009991 GRHGFPPFLHRHLJ-GFCCVEGCSA-N 313.361 2.703 0 40 DFAB Cn1cc(CN[C@H]2CC(C)(C)OC2(C)C)c(C(F)(F)F)n1 90666325 SNNGAEBNRZLHGJ-JTQLQIEISA-N 305.344 2.875 0 40 DFAB COc1cccc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 95452031 XHVQRHXBSYYONS-MRXNPFEDSA-N 301.390 2.609 0 40 DFAB COc1ccc(C)cc1NC(=O)COc1cccc(C(=O)O)c1 13079953 SAIRURBVMBCXQW-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB C1=C[C@@H]2C[C@@H]1C1(COC3(OC1)OCC1(CO3)C[C@@H]3C=C[C@@H]1C3)C2 169795912 VGFOQSFPTGPPBK-LSGFOAJRSA-N 316.397 2.856 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(Cl)cn1C 22003073 DOVVWBSVOVENGX-CMPLNLGQSA-N 312.797 2.530 0 40 DFAB O=C(c1ccccc1Cl)N1CC(Cn2cc(Cl)cn2)C1 1848824545 ALUWNOLFPPBSFT-UHFFFAOYSA-N 310.184 2.962 0 40 DFAB O=C1CCCN1C(=O)CNC(c1ccccc1)c1ccccc1 23674732 NHKRYXZUZMFEIY-UHFFFAOYSA-N 308.381 2.515 0 40 DFAB CCC(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(F)cc1 79332 PKXCLKQALCSWGY-GFCCVEGCSA-N 304.243 2.531 0 40 DFAB COc1cc(NC(=O)c2ccco2)c([C@H](O)C2CC2)cc1OC 13957462 AXBCEFDBGRJNNJ-MRXNPFEDSA-N 317.341 2.993 0 40 DFAB O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCC(F)(F)CC1 2298187951 UHEKUYFUJVEWOZ-HNNXBMFYSA-N 323.387 2.551 0 40 DFAB Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nc2ccccc21 2298192565 QABQLVLHAYYWEQ-CYBMUJFWSA-N 314.433 2.704 0 40 DFAB CCOC(=O)c1c(-n2cccc2C=O)sc2c1CCN(C)C2 20131633 WDEKAPOMXASOPM-UHFFFAOYSA-N 318.398 2.516 0 40 DFAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cc2ccccc2o1 4496945 OAZPHCIZQCVLLC-CQSZACIVSA-N 320.348 2.968 0 40 DFAB OC1=c2c(-c3ccc(Cl)cc3)csc2=N[C@H]2CCCN12 104188785 FDJXRWIYCRVSBI-GFCCVEGCSA-N 304.802 2.747 0 40 DFAB O=C(NCCc1cccc(F)c1)c1cc(-c2cccnc2)on1 40131616 HWTSCGXJNRRNKW-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB O=c1c2ccccc2ncn1Cc1noc(-c2ccsc2)n1 31681614 JVDIMZRDXDHCHC-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101110519 BUWAXWHRGPFRET-WCVJEAGWSA-N 309.365 2.787 0 40 DFAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 208858 KLRSIHXKOHRWGL-UHFFFAOYSA-N 322.408 2.855 0 40 DFAB Cc1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cn1 52360185 SFPSJXPIYVCGJS-UHFFFAOYSA-N 312.341 2.998 0 40 DFAB COCc1nc2c(s1)CN(C(=O)Cc1ccc(F)cc1)CC2 41194447 NITRLRNMPGUWHX-UHFFFAOYSA-N 320.389 2.556 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1(C)C 32850730 XZMDYTPKBGPKEY-KBPBESRZSA-N 312.369 2.747 0 40 DFAB CCCN(Cc1nc(O)c2cnn(C)c2n1)CC1CCCCC1 52863918 UUHAMCGHXBFACS-UHFFFAOYSA-N 317.437 2.861 0 40 DFAB CCS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 53510530 INOMYCFZYYPLBH-KRWDZBQOSA-N 323.458 2.859 0 40 DFAB FC(F)(F)c1nnc2n1CCN[C@H]2c1ccc(Cl)cc1 1857794496 NWAWUCBNQWXPPC-VIFPVBQESA-N 302.687 2.643 0 40 DFAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 47652397 ZJZWEZDEUVJAED-UHFFFAOYSA-N 324.789 2.500 0 40 DFAB NC(=O)c1ccsc1NC(=O)c1cccc(OC(F)F)c1 12569127 CSTBKLZSQRBHLM-UHFFFAOYSA-N 312.297 2.701 0 40 DFAB Cn1ccnc1[C@H](NC(=O)C1CCCC1)c1ccccc1F 12531851 GPWRWXSWYJENEH-OAHLLOKOSA-N 301.365 2.955 0 40 DFAB Cc1ccc(CSc2nnc(C3CC3)n2CCC(N)=O)cc1 23364081 QHLRBQYAIUSRLA-UHFFFAOYSA-N 316.430 2.632 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(F)c(F)c1 78898379 YWTQZNZROXZDAB-BDJLRTHQSA-N 308.372 2.701 0 40 DFAB Cc1c(COc2ccccc2)cccc1NC(=O)[C@H]1CCC(=O)N1 78972350 KYMHVZWXIZZPBO-QGZVFWFLSA-N 324.380 2.791 0 40 DFAB CC(=O)OC[C@@H](C)Cc1cc2c(cc1Br)OCO2 1848553 HNIQDLCYAMWCHA-QMMMGPOBSA-N 315.163 2.920 0 40 DFAB CNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 42566171 RNHGEVOKCCBHHI-UHFFFAOYSA-N 307.353 2.908 0 40 DFAB Cc1ccccc1CN1CCN(C(=O)CCc2ccco2)CC1 23652746 LXDNYPKQAXIRTQ-UHFFFAOYSA-N 312.413 2.865 0 40 DFAB Cc1ccccc1OCCC(=O)Nc1cnc2c(c1)c(C)nn2C 24032663 ZJDUTSMJULMXQM-UHFFFAOYSA-N 324.384 2.993 0 40 DFAB Cn1cc(C(=O)N(Cc2ccco2)Cc2cccs2)cn1 24460578 HUSOZDQICBUDPA-UHFFFAOYSA-N 301.371 2.917 0 40 DFAB CC[C@@H](NC(=O)C=C(C)C)c1ccccc1OCC(=O)N(C)C 55598455 LPPDLASUGGMCTO-OAHLLOKOSA-N 318.417 2.687 0 40 DFAB CCOc1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1 8286086 VWDWWBDGIXISTG-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccnc(Cl)c1 25979256 SSARJZYUBNRRON-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1=NN(C)C(=O)CC1 44042804 XWXMATSZRXBRAJ-NSHDSACASA-N 313.357 2.560 0 40 DFAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc[n+]1[O-] 48274625 IFSQBAHMEGXAGW-LBPRGKRZSA-N 320.801 2.940 0 40 DFAB Cn1c(CN(C[C@@H]2CCCO2)C2CCCC2)nnc1C1CC1 75830921 QOZSPSBVYPHFEI-HNNXBMFYSA-N 304.438 2.616 0 40 DFAB Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1 20143156 WYIOOBVUHCPWTN-UHFFFAOYSA-N 323.352 2.534 0 40 DFAB CN1CCC(N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC1 3306583 WKJCCBGTUJVUFA-UHFFFAOYSA-N 300.324 2.872 0 40 DFAB CCCCNC(=O)COC(=O)c1cc(C)nc2ccccc12 3312647 NZYHESMHKMDPQN-UHFFFAOYSA-N 300.358 2.616 0 40 DFAB O=C(NC[C@H](O)C1CCCC1)[C@H]1SCCc2ccccc21 76083274 XOVGXZCVHSEZNH-HOTGVXAUSA-N 305.443 2.684 0 40 DFAB COc1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cn1 58378124 IJRXWRTZYFCOSF-QGZVFWFLSA-N 311.385 2.866 0 40 DFAB O=C(NCC[C@@H]1CCCO1)c1ccc(F)cc1Br 37982452 XVUDMSZFVHNCLI-JTQLQIEISA-N 316.170 2.887 0 40 DFAB CN1C(=O)C[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc21 29062129 WOBYDLRKCUWACL-HNNXBMFYSA-N 312.344 2.592 0 40 DFAB Cc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3c2cc(C)nc(N)n2)cc1 100159782 OSUYAHROIGVMQS-HOTGVXAUSA-N 324.428 2.695 0 40 DFAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Cl)o1 23101586 IXHBGKYLRPXSDN-UHFFFAOYSA-N 305.765 2.858 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1OC 12974103 HRDGUNRIFFRNOW-UHFFFAOYSA-N 303.333 2.702 0 40 DFAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(CN2CCCC2)CC1 49073774 ODYFHMSBPBMVFS-MRXNPFEDSA-N 316.445 2.788 0 40 DFAB COc1ccc(CCNC(=O)N(C)Cc2ccco2)c(OC)c1 63808114 MCYNOIYPCGDYFF-UHFFFAOYSA-N 318.373 2.681 0 40 DFAB CCC[C@H](C)NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 9114214 OJZFQMWMNRILMV-ZDUSSCGKSA-N 305.422 2.813 0 40 DFAB O=C1NCCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl 49980354 QPMZKYGRJRZZKZ-VIFPVBQESA-N 307.703 2.834 0 40 DFAB CCNC(=O)c1cccc(NC(=O)Cc2noc3ccccc23)c1 15024901 UULXUELSIWICBC-UHFFFAOYSA-N 323.352 2.759 0 40 DFAB CN(C)[C@H](CNc1nc2ccccc2c(=O)[nH]1)c1cccs1 97994939 NVYYSDCFYORNCT-CYBMUJFWSA-N 314.414 2.699 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)N[C@H]1C[C@@H]1c1ccccc1 67554539 IEJCOUFKNOBBCM-ZBFHGGJFSA-N 319.368 2.945 0 40 DFAB Cc1nc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2o1 15602075 LBMXWCTUAHRRQM-UHFFFAOYSA-N 323.308 2.719 0 40 DFAB NC(=O)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 71794729 OMGGDAQIYMJFBC-SJORKVTESA-N 308.381 2.699 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)Cc1csc(C)n1 7995509 NXYCJHJOBGTZJO-UHFFFAOYSA-N 304.371 2.809 0 40 DFAB CC(C)(CNC(=O)c1cc(C(N)=O)cs1)Cc1ccccc1 96409539 XBMQBUBHUFWGIA-UHFFFAOYSA-N 316.426 2.846 0 40 DFAB C[C@H](Cn1cccn1)NC[C@@H](O)c1ccccc1C(F)(F)F 69373840 MGIMRORVQGKWBX-BXUZGUMPSA-N 313.323 2.614 0 40 DFAB CCC(=O)NCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 69421104 CMMNXQZGSRKXBB-VIFPVBQESA-N 317.216 2.739 0 40 DFAB NC(=O)C(=O)Nc1sc(-c2ccccc2)nc1-c1ccccc1 26771176 HPJAKCAZMWKCTQ-UHFFFAOYSA-N 323.377 2.901 0 40 DFAB CCc1nnsc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 71827230 PCBUUEWFJKVUID-SMDDNHRTSA-N 317.414 2.703 0 40 DFAB COc1cccc(OC)c1OCc1nc(-c2ccco2)no1 69925433 RRJKPNZPJKEIEP-UHFFFAOYSA-N 302.286 2.926 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H](n2ccnc2)C1 69976294 KKMNJBXSQIADHZ-SFHVURJKSA-N 309.413 2.778 0 40 DFAB CCCc1nc(CN2CCCC[C@H]2Cn2cncn2)cs1 71878712 YKNGRSSJQQKDNP-AWEZNQCLSA-N 305.451 2.742 0 40 DFAB CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 8757049 VYDJWLODGQLLGL-SECBINFHSA-N 308.382 2.934 0 40 DFAB O=C1Cc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 8873581 OZHCGSGZRLUISK-UHFFFAOYSA-N 304.349 2.936 0 40 DFAB Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cc(C(F)(F)F)[nH]n1 9059548 ZXDWUUNGEPMPOM-UHFFFAOYSA-N 308.263 2.883 0 40 DFAB CCCn1cc(N[C@@H](C)Cn2cc(Br)cn2)cn1 95991572 SEHKCQIEAXZLSU-JTQLQIEISA-N 312.215 2.753 0 40 DFAB C[C@H](O)CCN(C)C(=O)N[C@@H](C)c1cc(F)c(F)c(F)c1 95971261 UNLIYKOBFLNJPT-IUCAKERBSA-N 304.312 2.577 0 40 DFAB C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1cccn1 95953804 UKUTVOGUODTZAH-UHOFOFEASA-N 317.364 2.620 0 40 DFAB CCc1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F 97034208 GESSKJXZNAZEIG-JQWIXIFHSA-N 307.369 2.506 0 40 DFAB CCc1nc(NC(=O)C(=O)Nc2ccc(C)cc2)sc1C 72286798 ZNRMICPQVNOGST-UHFFFAOYSA-N 303.387 2.900 0 40 DFAB C[C@@H](C[S@@](C)=O)NC(=O)Nc1cccc(N2CCCCC2)c1 97107369 NCBQZLHLJOBYEM-XMHCIUCPSA-N 323.462 2.565 0 40 DFAB Cc1csc([C@@H]2COCCN2C(=O)Nc2nccs2)n1 97165770 DPPUYNRVCCSJJE-VIFPVBQESA-N 310.404 2.513 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2nccs2)c(C)c1 72730437 JNJGBLHGJFOVTM-UHFFFAOYSA-N 310.444 2.889 0 40 DFAB O=C1NC(=O)c2ccccc2/C1=C\NCc1ccc2c(c1)CCC2 84576878 JRENCNQCWWSEEO-LDADJPATSA-N 318.376 2.576 0 40 DFAB c1ccc(-c2nccc(NC3CCN([C@@H]4CCOC4)CC3)n2)cc1 84564906 OBWUPPKLKREAAT-QGZVFWFLSA-N 324.428 2.809 0 40 DFAB CCc1nsc(N2CCc3cc(OC)c(OC)cc3C2)n1 89295632 UBJLUOVYJNOJPU-UHFFFAOYSA-N 305.403 2.680 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)o1 95397983 DCVNCOBWQBEEFD-PMPSAXMXSA-N 312.369 2.687 0 40 DFAB CC(=O)Nc1nc(C(=O)O[C@@H](C2CC2)C(F)(F)F)cs1 75109676 HOMVCFZXNGFVHN-QMMMGPOBSA-N 308.281 2.599 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c(=O)[nH]1 75120706 MPUIZXVLXPVQOL-OAHLLOKOSA-N 300.333 2.800 0 40 DFAB Cc1nnc(CN2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 110659050 MAVKECPHGZIULR-DGCLKSJQSA-N 324.425 2.503 0 40 DFAB CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 67258299 AVJRTHHVSVIJKI-UHFFFAOYSA-N 306.774 2.887 0 40 DFAB O=S1(=O)c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 306141120 VLSWPVMNBIPRDR-DOTOQJQBSA-N 317.385 2.581 0 40 DFAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 524729678 DKZAXSRDCPYLRT-CQSZACIVSA-N 320.348 2.683 0 40 DFAB biogenic O=C1CCC[C@H](Cc2nc(Cc3ccc(F)c(Cl)c3)no2)N1 528227184 KHWBKWUHLPOREE-SNVBAGLBSA-N 323.755 2.664 0 40 DFAB CCOCCNc1ncnc2c1cnn2-c1cc(C)cc(C)c1 35681874 LZUPJOSSTOPJTP-UHFFFAOYSA-N 311.389 2.881 0 40 DFAB CCCCCCOc1ccc(/C=C2/NC(=S)NC2=O)cc1 36013283 RCFXFGSQIVOHPO-SDNWHVSQSA-N 304.415 2.991 0 40 DFAB C[C@H](C(=O)Nc1cnccn1)c1ccc(Br)cc1 126999856 GZXIZDBWLVRUFP-VIFPVBQESA-N 306.163 2.981 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)NCc3ccccc3)C2)cc1 35971969 YFHIHHSKKBPKCI-IBGZPJMESA-N 324.380 2.895 0 40 DFAB CCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30849314 DLTKQPHTWIADOB-UHFFFAOYSA-N 318.826 2.632 0 40 DFAB CCN(C)[C@@H](C(=O)NCCc1csc(C)n1)c1ccccc1 78402271 KDZZZXRQJHUSTB-MRXNPFEDSA-N 317.458 2.803 0 40 DFAB FC(F)C1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 568165266 JVDZLBUSZKYYOM-INIZCTEOSA-N 310.388 2.869 0 40 DFAB CCONC(=O)c1ccc(Br)cc1OC(C)C 49346298 JGAIKSDWWUWOLK-UHFFFAOYSA-N 302.168 2.918 0 40 DFAB Cc1occc1C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 79002164 NKONBOGZZZFSIW-HNNXBMFYSA-N 316.332 2.605 0 40 DFAB CC(C)n1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cn1 570379588 HDIPMHROYJZGPB-AEFFLSMTSA-N 312.417 2.574 0 40 DFAB O=c1ccc(-c2ccccc2F)nn1CCO[C@@H]1CCCCO1 194714917 ZQIZGDBLDKBCRH-QGZVFWFLSA-N 318.348 2.593 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@H](CN(C)C)C1 195570456 STTGQFDFXBUFDC-QZTJIDSGSA-N 317.477 2.909 0 40 DFAB CC(C)C[C@@H](NC(=O)c1ccccc1)c1nnc2ncccn12 40819093 DUDGUMABTZSJSJ-CQSZACIVSA-N 309.373 2.642 0 40 DFAB CC(C)N1CC[C@]2(CCC[C@H](CNC(=O)c3ccccc3)O2)C1 96207746 FIIKJRJVQZCBPQ-IEBWSBKVSA-N 316.445 2.838 0 40 DFAB Nc1cc2nnc(-c3ccccc3)c(-c3ccccc3)[n+]2cn1 95531980 ZPKRZDNZSSTLIE-UHFFFAOYSA-O 300.345 2.527 0 40 DFAB COC(=O)[C@H](C)c1c(C)nn(Cc2cccc(OC)c2)c1C 96496143 XTFREQHCNUYBFY-LLVKDONJSA-N 302.374 2.833 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CCN[C@H]2C(F)(F)F)CC1 91303044 UXNQKSDMAUQSOE-SNVBAGLBSA-N 308.344 2.928 0 40 DFAB CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCC(=O)NC2)cc1 96414378 YZSZAGLTUZHAHC-CZUORRHYSA-N 302.418 2.698 0 40 DFAB Cc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)c(=O)[nH]1 96449142 UVCYCGAUSSNOPO-HNNXBMFYSA-N 311.385 2.780 0 40 DFAB CCC(CC)(CNC(=O)c1ccc2cc[nH]c2c1)S(C)(=O)=O 96432863 URTGZTPKWSSASY-UHFFFAOYSA-N 322.430 2.501 0 40 DFAB Cc1nc(C)c(CNC(=O)N[C@@H]2COc3ccccc32)s1 96439598 XNGYRKKQYLXHHU-GFCCVEGCSA-N 303.387 2.693 0 40 DFAB CCc1nc(C)c([C@@H](C)N(C)Cc2cc(=O)c(O)co2)s1 96424494 OOBRBZFUZZUWFC-SNVBAGLBSA-N 308.403 2.866 0 40 DFAB c1cncc(OC[C@H]2CN(Cc3ccco3)Cc3nccn3C2)c1 96187942 DGAFXMZGKZBECO-HNNXBMFYSA-N 324.384 2.582 0 40 DFAB CCN1C[C@@H](C(=O)N2CCCCc3c(Cl)cccc32)CC1=O 348226381 ZLHMMLJXZCXMQV-LBPRGKRZSA-N 320.820 2.878 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(C(C)C)nc2O)n1 257322797 WHKVVLCXJQQORH-AWEZNQCLSA-N 314.389 2.919 0 40 DFAB CN(Cc1ccncc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257306923 SWOSLFBDDVOHOV-QYZOEREBSA-N 312.413 2.874 0 40 DFAB COc1cccc(Cc2cncc(C(=O)Nc3ccon3)c2)c1 257263798 LRMZIJMTBGXJJZ-UHFFFAOYSA-N 309.325 2.921 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)CCCN3CCCCCC3)C2)n1 257312231 UMYDOZKAPCTBOB-INIZCTEOSA-N 318.465 2.690 0 40 DFAB Cc1nn(-c2ncc(NC(=O)/C=C/c3ccco3)cn2)c(C)c1C 85470407 QULFMEODFSRVCD-VOTSOKGWSA-N 323.356 2.832 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCC2CCCCC2)n1 257299286 RPKOGWZVKMMOHT-OAHLLOKOSA-N 305.422 2.979 0 40 DFAB CN(C(=O)c1ccc2oc(=O)[nH]c2c1)C1CCC(F)(F)CC1 288141128 IZPWBCJDEBXXRL-UHFFFAOYSA-N 310.300 2.771 0 40 DFAB Cc1cccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1O 70040961 KVAQCZNALIGORV-CYBMUJFWSA-N 313.353 2.613 0 40 DFAB Cn1c([C@@H]2CCCN2C(=O)C[C@@H]2CCCO2)nc2ccccc21 71839202 TVRNRTMQWJKFRC-BBRMVZONSA-N 313.401 2.806 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c(C)c1 78551273 QIBLXECZDWLHGT-HNNXBMFYSA-N 322.474 2.599 0 40 DFAB C[C@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@H](C)O1 85457736 QDWDTWURSBRCJV-HOTGVXAUSA-N 308.466 2.883 0 40 DFAB CS[C@H](CO)[C@H](C)N[C@H]1CCN([C@H](C)c2ccccc2)C1 88727802 JZAATOWTSSYBOY-HDEZJCGLSA-N 308.491 2.524 0 40 DFAB Cc1cccnc1NC(=O)CCNC(=O)c1ccc(Cl)cc1 12824626 OZMLTPQITBIHRP-UHFFFAOYSA-N 317.776 2.802 0 40 DFAB O=C(COc1ccc(Cl)cc1C(=O)O)NC1CCCCC1 13083542 DAJSGLVNTPTMFZ-UHFFFAOYSA-N 311.765 2.866 0 40 DFAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C)o2)N(C)C)c1 15860119 WNGCXJPJLGPQGT-INIZCTEOSA-N 316.401 2.694 0 40 DFAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4cnccn4)C3)ccc2O1 19497923 CJROIOWGTPZVNE-HIFRSBDPSA-N 323.396 2.820 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1cncn1-c1ccccc1 21292577 BPMHCCNJEBSMKG-UHFFFAOYSA-N 311.370 2.854 0 40 DFAB C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CCO1 10669685 IGMYMPSHVLPVES-SECBINFHSA-N 323.190 2.791 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cccc3ncccc23)n1C 21535405 GUPNCOLCBPYQKM-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 25358387 AUHAPVLZNRHJMF-HOTGVXAUSA-N 323.331 2.544 0 40 DFAB O=C(Cc1ccccc1Cl)N1CC(Oc2cccnc2)C1 238896820 RCWTZXYCNPIDSG-UHFFFAOYSA-N 302.761 2.567 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)n2ncnc2N1 147787 IJJFSYTXKSLUML-CQSZACIVSA-N 316.336 2.658 0 40 DFAB CCn1c(=O)c(C(=O)Nc2ccccc2F)cc2cccnc21 5304014 YIZFWIYVKRLTNU-UHFFFAOYSA-N 311.316 2.808 0 40 DFAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1Cc1ccccc1 6840290 BAYSKWKIGKRATE-UHFFFAOYSA-N 312.756 2.701 0 40 DFAB CCOC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43982989 CDUIQXRERAOSKT-UHFFFAOYSA-N 306.362 2.644 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2)C[C@@H](C)O1 40526417 XGKCUKVUNSMHJI-NXEZZACHSA-N 300.305 2.929 0 40 DFAB COc1cc(OC)c(C(=O)Nc2cc(C)ccn2)cc1OC 365316 UQFKLRWLJOMHIH-UHFFFAOYSA-N 302.330 2.668 0 40 DFAB Cc1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1 32818631 QUJNLSRKTKDECM-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB CN1CCN(Cc2ccc(C(=O)c3cccc(F)c3)cc2)CC1 22027907 VNKZTMSVRDPHPI-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB C[C@H](Sc1nncs1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103247266 JHAFGDZKNDFOGD-HTFCKZLJSA-N 311.476 2.960 0 40 DFAB CCN(CC(=O)N1CCc2sccc2C1)Cc1ccco1 42155377 TXXDYFNHPRPQRM-UHFFFAOYSA-N 304.415 2.748 0 40 DFAB COC(=O)[C@H](C)Sc1nnc2cc(C)c3ccccc3n12 420872 MBZDRRCUUXZXKD-JTQLQIEISA-N 301.371 2.845 0 40 DFAB Cc1ccoc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 78813304 KLCUOPJETGEFNN-LBPRGKRZSA-N 308.378 2.717 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1ccccc1Cl 4349875 XLSBZWQSFKHINW-UHFFFAOYSA-N 310.810 2.991 0 40 DFAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)C(C)=C(C)[C@]1(C)C(=O)C2(C)C 4565657 PYRVMRIVAICSQC-ZWKOTPCHSA-N 320.385 2.601 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)N1CCc2ccccc2C1 48198198 KZRHENTYGFPCEJ-UHFFFAOYSA-N 319.368 2.858 0 40 DFAB COc1ccc([C@H](NC(=O)NC[C@H]2CCCOC2)C2CC2)cc1 56374009 CTTXPXMQVMDQCZ-CXAGYDPISA-N 318.417 2.872 0 40 DFAB CC(=O)N1CCC(NC(=O)N2CCC[C@H]2c2ccccc2)CC1 43879272 PBWOUILAXZNECI-KRWDZBQOSA-N 315.417 2.544 0 40 DFAB COc1ccc(C(=O)OCC(=O)N(C)C2CCCCC2)cc1 3300947 DAPDCQCRMANZOW-UHFFFAOYSA-N 305.374 2.643 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)Nc1cc(C)on1)CC2 9517176 VXSOAFGWGBBUTI-UHFFFAOYSA-N 317.345 2.590 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccc(-c2ccccn2)[nH]c1=O 48326242 LIOXHPPPEGIZDG-UHFFFAOYSA-N 323.327 2.506 0 40 DFAB c1cnc(NC2CC3(CCN(Cc4ccncc4)CC3)C2)nc1 108526273 IMSNAVBRDKOSDX-UHFFFAOYSA-N 309.417 2.728 0 40 DFAB COC(=O)c1ccc(N[C@H](C)Cc2c(C)nn(C)c2C)nc1C 95453299 FAGLGIYXXJFQNE-SNVBAGLBSA-N 316.405 2.570 0 40 DFAB COc1ccc(OC)c2c1[C@@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]2[C@]23C[C@H](O)C=C[C@]12[C@@H]43 104290008 ZDMUPGIYZAKMAW-FEWHBIAXSA-N 308.377 2.697 0 40 DFAB Cc1c(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cnn1C 95463568 ZCTURFZUAQMTOD-JKSUJKDBSA-N 307.344 2.627 0 40 DFAB C[C@@H](NC(=O)c1nn2cccnc2c1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101607825 QJKFDLJBQLZEKD-DDHJBXDOSA-N 318.808 2.937 0 40 DFAB Cc1nc(S[C@H](C)C(N)=O)c2c3c(sc2n1)CCCC3 3495440 HWBXZPSQQBTGAK-SSDOTTSWSA-N 307.444 2.844 0 40 DFAB Cc1cnc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)nc1 107217264 WKMWKFOEPGBBFX-ROUUACIJSA-N 324.428 2.797 0 40 DFAB CS(=O)(=O)Nc1ccc(NC(=O)CCc2cccs2)cc1 11362710 XUFSISYUYFFFHU-UHFFFAOYSA-N 324.427 2.691 0 40 DFAB O=C1CCCc2cc(S(=O)(=O)NC3CCCCC3)ccc2N1 21531890 RUACCYHHPRGZCH-UHFFFAOYSA-N 322.430 2.572 0 40 DFAB Cc1nn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1Br 2780401 UGAXJRNBMCVUQF-UWVGGRQHSA-N 314.227 2.744 0 40 DFAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2[nH]c(=O)c(C(=O)O)cc21 12389334 HVAXIAOBKAPELY-VIFPVBQESA-N 317.728 2.639 0 40 DFAB CN1CC(=O)N(Cc2cccc(SC(F)(F)F)c2)C1=O 96004613 BOIOTACPVWTBBP-UHFFFAOYSA-N 304.293 2.693 0 40 DFAB COc1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1F 5088878 SJPFIAXVTAQJSX-UHFFFAOYSA-N 302.284 2.675 0 40 DFAB CN(c1nc2ccccc2o1)C1CCN(C2CCOCC2)CC1 65231477 RTBLSXHGTKBWNW-UHFFFAOYSA-N 315.417 2.907 0 40 DFAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)c1 4385196 MOPSBOJIKQXSBF-CYBMUJFWSA-N 313.357 2.591 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 14015322 FQVNIEJOXXFTFC-UHFFFAOYSA-N 313.309 2.512 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c2c(nn1C)CCC2 65855952 XJPDCDRVBGLRKL-UHFFFAOYSA-N 324.306 2.883 0 40 DFAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 4731587 VUWZTRWOYFHENL-LBPRGKRZSA-N 304.365 2.945 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)C(F)F)c1 66444639 ODWDWQXMLDULNS-SNVBAGLBSA-N 315.341 2.978 0 40 DFAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3)n2)cc1 6760608 QFJKQPNDROJPLC-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB Cc1nc(CNC(=O)N2CCc3c(F)cc(F)cc3C2)oc1C 95422047 QZGNQJQBKADUSB-UHFFFAOYSA-N 321.327 2.838 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2 4927256 USHCFUXRTSXMOL-UHFFFAOYSA-N 323.352 2.905 0 40 DFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)C(C)(C)C)C=C2 95474772 ANUOOXWGLQVTKW-UHFFFAOYSA-N 317.385 2.674 0 40 DFAB CNC(=O)NC(=O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccccc1 7242581 HFAUACUKPQKNDD-KRWDZBQOSA-N 323.396 2.784 0 40 DFAB COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCCNC1=O 71836979 LNCODNRVDOTULZ-GFCCVEGCSA-N 317.216 2.760 0 40 DFAB COc1ccccc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409083027 KKOXPMIRTWVSEP-KAMYIIQDSA-N 300.358 2.921 0 40 DFAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccncc3)C2)c1 81639186 IFFCRYAFSGBKCA-AWEZNQCLSA-N 312.369 2.729 0 40 DFAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](C)S(C)(=O)=O 71920743 GLOOTYGTMQRGAB-KBPBESRZSA-N 323.458 2.809 0 40 DFAB O=C(Cn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 69461308 SNGWRYIHGSEZNC-INIZCTEOSA-N 318.808 2.979 0 40 DFAB CN(C(=O)c1cncc(-c2cnn(C)c2)c1)C(C1CC1)C1CC1 69975022 OYGULIRSQPXMPR-UHFFFAOYSA-N 310.401 2.743 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)CCc2nc(C)no2)C12CCCCC2 98016433 NQQQOEBTPFDJSM-KBPBESRZSA-N 321.421 2.555 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)n[nH]1 8767484 VLZGVFMWEYNEGZ-SECBINFHSA-N 318.402 2.810 0 40 DFAB CS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 8803002 HKLWKVDLZLPROX-UHFFFAOYSA-N 323.801 2.925 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)NCc1ccncc1 95984915 RNNDULOLTSJKTL-UHFFFAOYSA-N 307.357 2.897 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)s1 72231682 NUXKTHYNPAMYJI-LLVKDONJSA-N 320.418 2.725 0 40 DFAB O=C(NCc1ccncc1)Nc1nnc(CC2CCCC2)s1 75127572 NYPPRPBHRXUALU-UHFFFAOYSA-N 317.418 2.988 0 40 DFAB Cc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)s1 75127033 LZCOJZLAKOLGSI-UHFFFAOYSA-N 321.471 2.861 0 40 DFAB Cc1cn2nc(N3CCC[C@@H]3c3c(C)nn(C)c3C)sc2n1 75128695 OLPFOYDKKRNPSY-GFCCVEGCSA-N 316.434 2.791 0 40 DFAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H]2CCOC2)C1 89894266 VGEIEQGOIVTJCM-SOUVJXGZSA-N 312.454 2.648 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c(C)oc(C)c1C)CC2 89986374 XMZLEHSXILXRLF-LSDHHAIUSA-N 321.417 2.597 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)on1 75602242 NZUORFNOBLMIOD-JTQLQIEISA-N 308.769 2.656 0 40 DFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(C(=O)O)c1 37022140 YDHQYUNHVUOZFS-LBPRGKRZSA-N 311.403 2.646 0 40 DFAB COc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1C 521394530 NUTINNXPAAIMOK-QGZVFWFLSA-N 314.341 2.564 0 40 DFAB CC(C)c1ccc(CN(C[C@H]2CCOC2)C2CC2)c(O)c(=O)c1 521396924 GWHPFUDFKQOXQS-CQSZACIVSA-N 317.429 2.877 0 40 DFAB CCCCOC(=O)c1cc(I)ccc1N 39951614 TZPQYLVXOWYKBF-UHFFFAOYSA-N 319.142 2.830 0 40 DFAB CCCC1=NN(C(=O)c2ccc(N)cc2)[C@](O)(C(F)(F)F)C1 408739494 WVPXNHPXRZAXMS-CYBMUJFWSA-N 315.295 2.522 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)C1CCC(NCC(=O)O)CC1 79410712 PBSOGJGWMQEYKX-UHFFFAOYSA-N 314.426 2.617 0 40 DFAB O=C(CSCc1ccccc1)Nc1nnc2n1CCCS2 21715962 FJHOQYCXXSKMNL-UHFFFAOYSA-N 320.443 2.646 0 40 DFAB CCc1ccc(OCC(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642424 PGMMNYPNBXQGOY-UHFFFAOYSA-N 323.396 2.676 0 40 DFAB Cc1ccc([C@@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218523719 KHDLRWBHQSIDCK-ZACQAIPSSA-N 301.411 2.510 0 40 DFAB CC(C)N(Cc1ccccc1)C[C@H]1CCCN(CC(=O)O)C1 79416181 VMXFQPYEOVOYAS-KRWDZBQOSA-N 304.434 2.694 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)c[nH]1 89353773 YMGZWMOMKDOURU-WBVHZDCISA-N 320.433 2.787 0 40 DFAB C[C@H](CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1)C(=O)O 195552015 SVTLTQDUXRGGHC-SECBINFHSA-N 304.321 2.632 0 40 DFAB Cc1nc(Cc2noc([C@@H]3C[C@@H]3c3ccc(F)cc3F)n2)no1 193160721 KDYRSNUIGKKJGD-GHMZBOCLSA-N 318.283 2.901 0 40 DFAB O=C(NCc1ccccn1)c1c[nH]c2ccc(Cl)cc2c1=O 44903224 XFDQADRGROESNI-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB COc1ccc(OC)c(N(C)S(=O)(=O)c2ccccc2)c1 224665272 YFXKMYACLHXRJA-UHFFFAOYSA-N 307.371 2.529 0 40 DFAB COc1cccc(-c2nnsc2C(=O)NCCC(C)C)c1 225767778 CAPPTSJJCXGBIA-UHFFFAOYSA-N 305.403 2.990 0 40 DFAB CN(C)c1ccnc(CNC(=O)c2ccc(C(C)(C)C)cc2)n1 224192056 BKKZSLVFKQJMEJ-UHFFFAOYSA-N 312.417 2.770 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCCC[C@@H]2C)nc1 223889340 DPAPCDTZYOBAFG-ZDUSSCGKSA-N 322.478 2.783 0 40 DFAB C[C@@H](OC(=O)c1ccc(-n2ccnc2)nc1)c1nccs1 195576395 YRXSNPGSHINJFQ-SNVBAGLBSA-N 300.343 2.642 0 40 DFAB c1ccc(Cn2ccnc2CN2C[C@H]3[C@H]4CC[C@H](O4)[C@H]3C2)cc1 195532087 XENPADVYIIMZBP-USTZCAOPSA-N 309.413 2.541 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@@H](C)c2cccnc2)C1 194325923 XUZMKCHBNOUUQB-KSSFIOAISA-N 318.417 2.623 0 40 DFAB CCN(Cc1cccc(F)c1)C(=O)c1conc1C(C)(C)N 577529330 RDHSIHMHKZPAKD-UHFFFAOYSA-N 305.353 2.670 0 40 DFAB CCOCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@@H]2C 96109660 XUSDOYCNWMASDQ-LLVKDONJSA-N 303.362 2.538 0 40 DFAB C[C@H]1CN(C(=O)NCCOc2cccnc2)[C@H]1c1ccccc1 96440315 HPSHHNNHWHQEAY-WMLDXEAASA-N 311.385 2.863 0 40 DFAB CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCSC1 97371055 WLWQJCCBKKSLIK-KGLIPLIRSA-N 313.488 2.724 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)c1cc(F)c(F)c(O)c1F 97237014 MAVGNHUFWPOHSR-YFKPBYRVSA-N 314.263 2.905 0 40 DFAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3cc[nH]c3c1)CC2 97198972 DZPFLTFVNFHXAS-AWEZNQCLSA-N 323.400 2.628 0 40 DFAB COCc1cnc2n1CCN(CCOCc1ccccc1)[C@H]2C 96208786 NAZAVYWPHNWUIC-HNNXBMFYSA-N 315.417 2.623 0 40 DFAB CCOCc1cnc2n1CCN(Cc1scnc1C)[C@@H]2C 96109688 CLEAQOCBYJPKDO-GFCCVEGCSA-N 306.435 2.761 0 40 DFAB CNC(=O)c1sc2nccnc2c1C1CCN(C(C)C)CC1 257221878 DQXSITFZSBWLTE-UHFFFAOYSA-N 318.446 2.639 0 40 DFAB CN(c1nn(-c2ccccc2)nc1C(=O)O)C1CCCCC1 256047371 MDZCRATZOGGEMJ-UHFFFAOYSA-N 300.362 2.734 0 40 DFAB Cc1nc(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cs1 257236274 HBLAXBVAUXZQGD-HOCLYGCPSA-N 307.463 2.865 0 40 DFAB O=C(CCc1cccs1)N[C@H]1CCCN(c2ccccn2)C1 257321636 WCMRPEMJNVEIJH-AWEZNQCLSA-N 315.442 2.861 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F 653471421 IKNPFMAMEIEWJN-NSHDSACASA-N 301.264 2.843 0 40 DFAB CCN(CC)CCCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585289693 VEXCRVXQDZVBQY-IPMKNSEASA-N 320.477 2.669 0 40 DFAB COCCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 64488434 JGTLQOLDDRHSNA-JKSUJKDBSA-N 324.852 2.528 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2C(=O)CC[C@@H]2CCCO2)c1 69696592 XSIGVADCRDDOCG-CVEARBPZSA-N 305.422 2.532 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(N)n2C(C)C)c1 75147444 VVUYREBMSSCYSY-NSHDSACASA-N 319.434 2.869 0 40 DFAB Cc1ccc(CC(=O)Nc2ccccc2Cn2cccn2)cn1 40554709 ADUYKVRXPLCVIN-UHFFFAOYSA-N 306.369 2.816 0 40 DFAB O=C(NCCCN1CCCC1)Nc1ccc(OC(F)F)cc1 40526411 NRJGIDWUUZPSDY-UHFFFAOYSA-N 313.348 2.895 0 40 DFAB Cc1cc(C)n(-c2ccc(N(C)Cc3scnc3C)nn2)n1 77965689 QDPLDNHJGQGVRL-UHFFFAOYSA-N 314.418 2.680 0 40 DFAB COc1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1F 824722793 QIMQKNMWTCUSTM-UHFFFAOYSA-N 306.381 2.535 0 40 DFAB CCn1c(N2CCC(C(=O)NC3CC3)CC2)nc2ccccc21 12221308 ACRWTPUESSABDI-UHFFFAOYSA-N 312.417 2.551 0 40 DFAB COc1ccc(CCC(=O)NCC2CCN(C(C)C)CC2)cc1 12442747 UOKULILRCWNDRQ-UHFFFAOYSA-N 318.461 2.864 0 40 DFAB CN(C)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1Cl 4979760 BTAAONRFHGAQFT-OQLLNIDSSA-N 312.778 2.934 0 40 DFAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1O 14171746 HHZHDNLJJGGIJP-UHFFFAOYSA-N 318.760 2.804 0 40 DFAB NC(=O)C1CCN(CCOc2c(Cl)cccc2Cl)CC1 8317307 SFHXCGHFTGSTQD-UHFFFAOYSA-N 317.216 2.570 0 40 DFAB O[C@]1(COc2ccc(F)cc2)COCCN(C2CCCCC2)C1 2037937578 PKHDNNXXSODJJR-SFHVURJKSA-N 323.408 2.601 0 40 DFAB CC(C)CN1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2CC1 2056223868 JAWRWIQDHAJWML-HDICACEKSA-N 322.493 2.630 0 40 DFAB Cc1ccc2ncc(C(=O)Nc3ccc(C)c(F)c3)c(=O)n2c1 9830082 WGZVCAHPDNLJFW-UHFFFAOYSA-N 311.316 2.703 0 40 DFAB COc1ccccc1C(=O)N1CC(Cn2ccnc2C(C)C)C1 1848991624 VVXLSBNVDCYXBN-UHFFFAOYSA-N 313.401 2.787 0 40 DFAB Cc1csc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1 40088053 REJFXFMYZNIIMN-GFCCVEGCSA-N 305.334 2.722 0 40 DFAB C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@H](Cn2cncn2)O1 161465 NKCVVZUBNFITEG-GXFFZTMASA-N 314.172 2.873 0 40 DFAB O=c1c2ccsc2ncn1C[C@@H](O)c1ccc(Cl)cc1 40489990 OLZNVXUXFGKJON-GFCCVEGCSA-N 306.774 2.845 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1ccc(C)s1)CC(C)C 31705962 QGBOQYDQHRSQFV-LBPRGKRZSA-N 312.435 2.947 0 40 DFAB COc1cccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)c1 100988200 MPNUXZKEKMIZOS-MRXNPFEDSA-N 323.331 2.877 0 40 DFAB COc1cc(C(=O)NCCCn2nc(C)cc2C)ccc1C 32780855 SIKHDDQPVYUSKL-UHFFFAOYSA-N 301.390 2.637 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)NC[C@H](c1ccco1)N(C)C 32914091 SKTJKESSJNGYEP-GOEBONIOSA-N 316.401 2.604 0 40 DFAB Cc1ccc(-c2nc(C(=O)NC[C@H]3CCOC3)cs2)cc1 41373215 NHWZMVJLJOTCEB-GFCCVEGCSA-N 302.399 2.885 0 40 DFAB COC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 544676 BTFGRCQEMPUWNL-JTQLQIEISA-N 317.780 2.916 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 104094798 QSDFANNBERHBAI-ZNMIVQPWSA-N 312.454 2.743 0 40 DFAB C[C@H](NC(=O)CS(=O)(=O)c1ccc2ccccc2c1)C1CC1 47619432 JABCSPSNCNQWMM-LBPRGKRZSA-N 317.410 2.528 0 40 DFAB Cc1nc[nH]c1-c1nccn1Cc1cc2ccc(F)cc2[nH]c1=O 71279049 GFHYAGUUIHFKFD-UHFFFAOYSA-N 323.331 2.611 0 40 DFAB O[C@@H](CNCCc1c[nH]c2ccccc12)COc1ccccc1 3149234 KKFXWXLVXCLXGJ-INIZCTEOSA-N 310.397 2.740 0 40 DFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](C)c2ccccc21 77216194 UJCAFKMPDDJZJC-SECBINFHSA-N 309.325 2.588 0 40 DFAB CC(C)Cn1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)cn1 78630304 PCUQWPMAFXADAW-UKRRQHHQSA-N 308.426 2.722 0 40 DFAB Cc1ccccc1CC(=O)N(C)Cc1ccc([S@](C)=O)cc1 79018541 ZUOAEHMTCQJNKK-JOCHJYFZSA-N 315.438 2.934 0 40 DFAB Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)n1C 3533109 GNYLVQRCIKMKAD-UHFFFAOYSA-N 314.385 2.748 0 40 DFAB COc1ccc2c(CC(=O)Nc3ccc(C(N)=O)cc3)coc2c1 3609966 FUEQFSUYSSNDFA-UHFFFAOYSA-N 324.336 2.722 0 40 DFAB C[C@H]1CN(C(=O)NCc2ccccc2OC(F)F)C[C@H](C)O1 54976297 CAKQBVBPJVPUBI-QWRGUYRKSA-N 314.332 2.607 0 40 DFAB Fc1ccc(NCc2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1 6557395 QZWPEILBFSIVMV-LBPRGKRZSA-N 308.382 2.871 0 40 DFAB Cn1ncc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)c1C(F)F 95970400 FOUNCPYXHZZXOO-QPJJXVBHSA-N 321.283 2.708 0 40 DFAB CCCCOCCCNC(=O)c1cc(=O)c2ccccc2o1 3231120 QHNUNFVLBKSZEG-UHFFFAOYSA-N 303.358 2.730 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)NC1CCCCCC1 3226451 RUCUJPMSMBYNMF-UHFFFAOYSA-N 307.365 2.750 0 40 DFAB O=C(CNc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 12607937 GLXSRRBAZAKRQU-UHFFFAOYSA-N 309.369 2.864 0 40 DFAB CC(C)N1CCC[C@H]1CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 107531437 HXSYKSDTLPNMNF-OLZOCXBDSA-N 322.453 2.807 0 40 DFAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1[C@@H]2CCC[C@@H]12 107510764 OQPGFKJQNKRIPS-MGPQQGTHSA-N 318.804 2.608 0 40 DFAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccccc2)CC1 57024254 OSCFPGJZCMZFFY-KRWDZBQOSA-N 323.440 2.860 0 40 DFAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1ccco1 48263533 MNAWRHXLVDIAIA-UHFFFAOYSA-N 311.341 2.621 0 40 DFAB COCc1nn2c(=O)c3c([nH]c2c1-c1ccccc1)CCCC3 9172614 JXSKIGRICJSSLD-UHFFFAOYSA-N 309.369 2.715 0 40 DFAB O=C(NCc1nncn1C1CC1)Nc1ccc(OC(F)F)cc1 84414430 FNOGTDOFTZJPNL-UHFFFAOYSA-N 323.303 2.536 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCOc1ccc(F)cc1 12731962 FUSFZEPOTPDEEL-WMLDXEAASA-N 322.424 2.831 0 40 DFAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCCCc2ccccc21 58265573 PQKDGGGHAXRKDO-CZUORRHYSA-N 323.458 2.782 0 40 DFAB O=C(Nc1cccnc1)N(Cc1cccnc1)C[C@@H]1CCCO1 44973453 JXWHYXJFXBKEJN-INIZCTEOSA-N 312.373 2.690 0 40 DFAB Cc1cc(CS(=O)(=O)c2ccc(Br)cc2)no1 44947259 XKTQNSDPMQAZTR-UHFFFAOYSA-N 316.176 2.719 0 40 DFAB O=C(C[C@@H]1C=CCC1)Nc1cnn(Cc2cn3ccccc3n2)c1 58393773 YGQJZPZAHWHPKP-CQSZACIVSA-N 321.384 2.874 0 40 DFAB Cc1cc(C)cc(OCCn2c(-c3ccccn3)noc2=O)c1 58344333 JQJFRVASYYYCQE-UHFFFAOYSA-N 311.341 2.594 0 40 DFAB Cc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1 3344081 GDMWSDLAAHOFIP-UHFFFAOYSA-N 303.416 2.934 0 40 DFAB OC1CCC(NCc2cnn(Cc3ccccc3Cl)c2)CC1 48326062 VPMJMFXWOBKHIT-UHFFFAOYSA-N 319.836 2.978 0 40 DFAB CCOC(=O)c1c(O)c(C)c(=O)n2c1[nH]c1cc(C)c(C)cc12 103954911 ZKHCAHNQRLZHNB-UHFFFAOYSA-N 314.341 2.588 0 40 DFAB C[C@@H](NC(=O)CSCC(=O)N1CCCCC1)c1ccccc1 29504922 FKLPOBLSQXWNDN-CQSZACIVSA-N 320.458 2.610 0 40 DFAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccccc2)CC1 29705176 ZZSNEVBHTPGDKH-UHFFFAOYSA-N 313.401 2.640 0 40 DFAB CC(C)CN1C[C@H](C(=O)Nc2cccc3cnccc23)CC1=O 29783825 ISZHXXFXUCJWFR-CQSZACIVSA-N 311.385 2.678 0 40 DFAB CCOC(=O)c1c(O)cccc1CCc1cc(O)cc(O)c1 28540891 TUFSTSQNKAAZRE-UHFFFAOYSA-N 302.326 2.765 0 40 DFAB O=C(Nc1ccccn1)N[C@@H](CN1CCCC1=O)c1ccccc1 46459128 APYXEMMGWMQUEC-HNNXBMFYSA-N 324.384 2.567 0 40 DFAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 2622640 ZGDDALUQQIMJGI-UHFFFAOYSA-N 317.389 2.516 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 2735985 KNENCZJNRXFRCP-LJQANCHMSA-N 323.440 2.952 0 40 DFAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 23107782 DKQFZASUWMJNDT-CQSZACIVSA-N 324.471 2.638 0 40 DFAB O=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCCC1 12323392 NYVBPCJAAHBOFL-UHFFFAOYSA-N 310.357 2.768 0 40 DFAB COc1ccc([C@@H]2SC=C3Sc4nncn4N32)cc1OC 12322591 NGXBWRITEQASKC-LBPRGKRZSA-N 320.399 2.584 0 40 DFAB O=S1(=O)c2ccc(Br)cc2[C@@H](O)CC12CCC2 306145352 CGCGLJGNXNNKOJ-JTQLQIEISA-N 317.204 2.583 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 13170354 UHELIADUZBWQAK-QMMMGPOBSA-N 302.157 2.930 0 40 DFAB CCc1nc(CN(C)C(=O)c2ccc(C(N)=S)cc2)cs1 63123309 NIADZCGLHYRQHB-UHFFFAOYSA-N 319.455 2.612 0 40 DFAB CCCN1CCc2c(sc(NC(C)=O)c2C(=O)OCC)C1 3902138 MKSLLKUQFLEVLU-UHFFFAOYSA-N 310.419 2.651 0 40 DFAB COc1ccc(-c2nc3ccccc3n2O[C@H](C)C(=O)O)cc1 4001968 KVNRVXAENSGBCT-LLVKDONJSA-N 312.325 2.614 0 40 DFAB CC(C)(C)OC(=O)NCc1nnc2c(C(F)(F)F)cccn12 409421774 IDSIMUJUAAKORK-UHFFFAOYSA-N 316.283 2.773 0 40 DFAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccn1 6831694 KYOASXQPGIYCAP-UHFFFAOYSA-N 310.275 2.796 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C1CCCCC1 95458929 DOXSOWDLGNOEPF-HNNXBMFYSA-N 305.422 2.517 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)no1 67139944 LCUSYDRWWNMZOQ-LLVKDONJSA-N 309.366 2.711 0 40 DFAB O=S(=O)(Cc1ccc(Cl)cc1)CC1(O)CCCCC1 95451116 XTCHMVDOMHJQAX-UHFFFAOYSA-N 302.823 2.950 0 40 DFAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)NCc2ccccc2)cc1 7221585 XVIMDEIXPOKGGH-ZDUSSCGKSA-N 311.385 2.762 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(F)cc1F 7272975 WCVNDKGCVVJVBZ-UHFFFAOYSA-N 305.280 2.966 0 40 DFAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 7428522 DDBWJPMVFHTDDX-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB C[S@@](=O)C[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1 96445509 YBRNORQCZKIBKF-ASSNKEHSSA-N 322.817 2.585 0 40 DFAB O=C(Nc1ccc(-c2ccccc2)nn1)N1CCSCC1 96466500 LBIQZASEAPCUJD-UHFFFAOYSA-N 300.387 2.724 0 40 DFAB COC[C@@H](O)CCN[C@H]1CCCOc2cc3c(cc21)CCCC3 90950113 GKKJOMQIINNVID-WMZOPIPTSA-N 319.445 2.766 0 40 DFAB O=C(CCCc1nc2ccccc2o1)N1CCO[C@H]2CCC[C@@H]21 71823521 GAAXPXSWWLDXHN-HOCLYGCPSA-N 314.385 2.930 0 40 DFAB O=C(NC1CCSCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 71882747 BUOXQODPADBSGU-CYBMUJFWSA-N 324.490 2.570 0 40 DFAB CCCCc1nc(C)c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)s1 71829578 HJJUISYYEAPEDE-JQWIXIFHSA-N 323.462 2.520 0 40 DFAB COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)OC 70040740 AAGVQIUZAMNWMQ-ZWNOBZJWSA-N 319.323 2.886 0 40 DFAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C1CC1 8357121 AXBCIALPIXTQKQ-ZDUSSCGKSA-N 315.417 2.845 0 40 DFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 24257350 FTFNDMGEVFRKGL-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccn(-c2ccccc2)n1 69520764 AZYJVJFMHHSLNF-OAHLLOKOSA-N 314.389 2.905 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)cc1 17481759 DHARUPHTKKXIEC-UHFFFAOYSA-N 306.268 2.639 0 40 DFAB COc1cc(C)cc(C(=O)N(C)OCc2ccccc2)c1O 95972550 GPERZMGRJVHPPR-UHFFFAOYSA-N 301.342 2.913 0 40 DFAB COCCc1nsc(N2CCC[C@H](c3nccs3)C2)n1 95994699 AIHLNUGVZJUTIR-JTQLQIEISA-N 310.448 2.568 0 40 DFAB CCOCCCN1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H](C)C1 71908772 FNKGSQCZFPQCIR-IKGGRYGDSA-N 308.466 2.596 0 40 DFAB Nc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1 94573679 XOXNXAOKUOEYLM-UHFFFAOYSA-N 307.147 2.989 0 40 DFAB CC1CCN(C(=O)[C@H](C)Nc2ccn(CC(F)(F)F)n2)CC1 97059998 AUNISAJAZPHOSV-NSHDSACASA-N 318.343 2.504 0 40 DFAB O=C(NC1CC(c2ccccc2)C1)N1CC[C@]2(CCOC2)C1 97014117 FZFULSJNDNREEO-HTWSVDAQSA-N 300.402 2.755 0 40 DFAB Cc1ccc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)nc1 72241020 IEZJHBXROSWRFY-UHFFFAOYSA-N 311.389 2.731 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 72299438 SCXMGEYVVQBWGQ-ZDUSSCGKSA-N 318.377 2.704 0 40 DFAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1N(C)C 72295877 TZHXCKALVMCYNN-UBHSHLNASA-N 310.825 2.706 0 40 DFAB C[C@H]1CCOCCN1C(=O)c1cc(N(C)C)nc2ccccc12 97110889 PXLCVMDYAMOUJW-ZDUSSCGKSA-N 313.401 2.552 0 40 DFAB CN(CCCc1ccccc1)C(=O)NCc1ncccc1F 89346109 NMBPMZNCHMEYFI-UHFFFAOYSA-N 301.365 2.995 0 40 DFAB Cc1ccccc1[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 89689196 HIOVZDGHEZMWHM-GDBMZVCRSA-N 320.433 2.627 0 40 DFAB O=C1Nc2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1F 89865730 HGRQDOVXHJLWNA-UHFFFAOYSA-N 324.308 2.701 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 28225996 QQSKNQLVCCMEEY-IAGOWNOFSA-N 307.397 2.534 0 40 DFAB Cc1cnc(C(=O)NCc2ccc(Br)s2)cn1 26042210 DJDAGTVUABODPU-UHFFFAOYSA-N 312.192 2.539 0 40 DFAB COc1csc(C(=O)Nc2nc(C)n(-c3ccccc3)n2)c1 1522563491 PVQRCALGJHRKPX-UHFFFAOYSA-N 314.370 2.898 0 40 DFAB CC(C)Cn1ncnc1Cn1nc(C(F)(F)F)c2cnccc21 537604437 BZOUHEWNNPJZNE-UHFFFAOYSA-N 324.310 2.746 0 40 DFAB Cc1cc(CNC(=O)c2ccc3ccccc3c2)nc(N(C)C)n1 189997118 JUKNEJXNRCLEHV-UHFFFAOYSA-N 320.396 2.934 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79349336 YKFDEQFOLPBXHC-DOTOQJQBSA-N 302.422 2.804 0 40 DFAB CCOC(=O)c1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1 72220556 VGDTYCMGQBWHIJ-UHFFFAOYSA-N 316.357 2.622 0 40 DFAB CCn1cc(Cl)c(C(=O)Nc2ccc(OC)cc2OC)n1 32611565 AWTJZPUGLHHHHM-UHFFFAOYSA-N 309.753 2.826 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)N1CC[C@H](Nc2ccccc2)C1 192417097 AFMZUFHEMHQLIF-HNNXBMFYSA-N 318.417 2.821 0 40 DFAB Cc1cc([C@@H](O)CCNC(=O)COc2ccccc2F)c(C)o1 85561407 FSDBHUQSAYXIOU-HNNXBMFYSA-N 321.348 2.654 0 40 DFAB COc1ccc(C[C@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225102536 VXZRNJZKLWUTTN-INIZCTEOSA-N 302.326 2.779 0 40 DFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 223504328 SNVOUZCMOBRCFG-MRXNPFEDSA-N 324.424 2.783 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40434739 STBYZIXCPVUJTQ-SNVBAGLBSA-N 312.801 2.624 0 40 DFAB COc1cnc(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)nc1 1203922756 ZUOVUMGHWBPHFD-AWEZNQCLSA-N 319.792 2.792 0 40 DFAB Cc1nnsc1C(=O)N1Cc2ccccc2SC[C@H]1C 225418565 LNYWJLQSRAQDSH-SECBINFHSA-N 305.428 2.983 0 40 DFAB COC[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 96433669 RYVDSAHHUBNTKG-GFCCVEGCSA-N 319.188 2.873 0 40 DFAB c1cncc(OC[C@]23COC[C@H]2CN(Cc2ccsc2)C3)c1 96108818 SFVXBYZNMLRCTO-WBVHZDCISA-N 316.426 2.671 0 40 DFAB C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H](C(=O)O)C1 96479521 BLPDOYALQOFGTQ-TZMCWYRMSA-N 307.365 2.718 0 40 DFAB Cc1ccccc1CCCN1CCN(C2CCOCC2)CC1 96460857 GMWGGUMWGSMGNW-UHFFFAOYSA-N 302.462 2.724 0 40 DFAB CN(C)C(=O)Cc1ccccc1NCc1nc2ccccc2n1C 96482797 WTHDQTNGXFVHKR-UHFFFAOYSA-N 322.412 2.816 0 40 DFAB CC(C)Oc1ccc([C@H](O)CNC(=O)C[C@@H]2C=CCC2)cc1 96407918 UVXYQOFAIKXSMS-RHSMWYFYSA-N 303.402 2.980 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1 141953268 LHBQAFIXLOCLTK-ZDUSSCGKSA-N 320.389 2.878 0 40 DFAB C[C@@H](c1cncs1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12 91382056 FQJADGHBOPLZBK-JTQLQIEISA-N 313.382 2.818 0 40 DFAB CC(C)n1cnnc1-c1ccccc1NC(=O)c1ncccc1O 97102414 FJANOVLXIOWEDY-UHFFFAOYSA-N 323.356 2.879 0 40 DFAB CO[C@@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1ccccc1 96500449 OBXGXVYKJLAUIR-MRXNPFEDSA-N 308.341 2.798 0 40 DFAB C[C@@H]1CN(C2CCOCC2)C[C@]12CCN(c1ccsc1)C2=O 96201794 NDEWTUVSYPIOSX-CXAGYDPISA-N 320.458 2.602 0 40 DFAB Cc1cc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)oc1C 96184894 WHTWSLFXJXAFLA-KGLIPLIRSA-N 304.419 2.601 0 40 DFAB CC(C)C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccccn1 95438160 OZINEHLDGSOJPN-XIRDDKMYSA-N 319.449 2.971 0 40 DFAB COc1ccc([C@H]2CNCCN2Cc2ccnn2C(C)C)cc1 257293251 QOSLHPVLZAGSLA-GOSISDBHSA-N 314.433 2.619 0 40 DFAB COc1ccccc1[C@H]1CNCCN1Cc1scnc1C 257342010 ZMSFUNQFLJCYIE-CQSZACIVSA-N 303.431 2.607 0 40 DFAB CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)CCc1ccc(O)cc1 253370992 ZCPOLPYEDLYQGE-XYPHTWIQSA-N 304.434 2.608 0 40 DFAB CC(=O)N1CCC[C@H](c2nccnc2Nc2ncccc2C)C1 257210112 BTFFITBTWPVNJY-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB CC(=O)N1CCN(Cc2cscn2)[C@H](c2ccccc2)C1 257280175 OJVCPAYWYNQNIJ-INIZCTEOSA-N 301.415 2.549 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@H]2N 253504085 CPNKFWQTLWHDPO-ZYPGRWQASA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro COc1ccccc1[C@H](CNC(=O)Cc1ccc(F)cc1)OC 96384472 FVROVAPIXNSKNI-KRWDZBQOSA-N 317.360 2.881 0 40 DFAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cc(C)on3)C2)c1 585268955 FOAOPPWLFWCSHP-SFHVURJKSA-N 316.401 2.697 0 40 DFAB CNc1ncccc1CN1CC[C@H](Cc2ccccc2)[C@H](O)C1 585279314 JZZOZULMQCPJRV-SJLPKXTDSA-N 311.429 2.549 0 40 DFAB CCN(CCCNC(=O)c1ccc(C)nc1)C(=O)OC(C)(C)C 52776535 ZCNBEPNPEUPOSD-UHFFFAOYSA-N 321.421 2.767 0 40 DFAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccco2)CC1 40494057 TZHCFRHWPGJCTO-ZDUSSCGKSA-N 318.421 2.839 0 40 DFAB CCN1CCc2nc(NC(=O)/C=C/c3ccco3)sc2C1 42136981 FMQOMJVDFNWCEO-AATRIKPKSA-N 303.387 2.766 0 40 DFAB Cc1cc(F)c(Br)cc1NS(=O)(=O)C1CC1 190382843 GCVOKGXQMWHASX-UHFFFAOYSA-N 308.172 2.801 0 40 DFAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccco2)cc1 5080172 VHINNJPRBCRAML-UHFFFAOYSA-N 301.298 2.668 0 40 DFAB Cc1cccc(-c2noc(C)c2C(=O)NCCn2ccnc2C)c1 12147311 FZQOVHNPSDJAON-UHFFFAOYSA-N 324.384 2.893 0 40 DFAB Cn1cc(C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cn1 12228581 GDQJCAZURNAICP-HNNXBMFYSA-N 312.398 2.590 0 40 DFAB CCOCCCNC(=S)Nc1cc(OC)c(OC)cc1C 16281339 RYWVXKMYTIFMBR-UHFFFAOYSA-N 312.435 2.725 0 40 DFAB C[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCO2 18109224 JSTSIPLKVHYEMA-CYBMUJFWSA-N 313.353 2.714 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C)CC1 19746576 TXQLSFCHSZVLKM-OAHLLOKOSA-N 305.422 2.628 0 40 DFAB Cc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)n1 19937137 IFYCPMVPZCUUHS-UHFFFAOYSA-N 324.428 2.673 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 1889070761 CHUDADAFYNNIEF-SNVBAGLBSA-N 315.339 2.841 0 40 DFAB NC(=O)c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 24574512 VSJSYKSMTKYHJJ-UHFFFAOYSA-N 319.364 2.757 0 40 DFAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)n1 10187839 VYDLXHOCXILCTP-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB CCOc1ncc(NC(=O)c2ccc(Cl)cc2)c(N(C)C)n1 206730144 STSYGPMISUQFJA-UHFFFAOYSA-N 320.780 2.847 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)CCOc1ccccc1 4135087 MBMIMTWCWSPYLU-UHFFFAOYSA-N 324.336 2.939 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 40047621 AVLABRZWXQHDOO-AWEZNQCLSA-N 303.402 2.766 0 40 DFAB COC(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 20220563 JCEYTAINVZMWCW-UHFFFAOYSA-N 303.189 2.877 0 40 DFAB O=C(Nc1cccc(OC(F)F)c1)N1CCC(CO)CC1 40540512 BHUFUVNIBRCIDR-UHFFFAOYSA-N 300.305 2.524 0 40 DFAB Cc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1 21055297 CWVNXBFCQJIOFW-GJZGRUSLSA-N 304.434 2.613 0 40 DFAB COc1cc(OC)c(C(=O)N[C@H](C)Cc2ccco2)cc1OC 33206761 KOTBKCXCLHOMPR-LLVKDONJSA-N 319.357 2.666 0 40 DFAB CC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 534306 UMRFWQPCLPWDMJ-CABCVRRESA-N 304.390 2.656 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)NCCCN3CCCC3)c2)cs1 53288048 JPQRVFXYIYQNOE-UHFFFAOYSA-N 318.446 2.662 0 40 DFAB Cc1cc(C)n(CCCNC(=O)c2ccc3ncsc3c2)n1 22412726 VEALUDJOTIPNDY-UHFFFAOYSA-N 314.414 2.930 0 40 DFAB CC(C)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1 53977887 ZRJLKBZDDVWFIB-UHFFFAOYSA-N 303.406 2.944 0 40 DFAB C[C@H](Nc1ccc2nnnn2n1)c1ccc(Cl)cc1Cl 8851463 XFQDOVPSQJUEBR-ZETCQYMHSA-N 309.160 2.999 0 40 DFAB C[n+]1cn(CCCCn2c[n+](C)c3ccccc32)c2ccccc21 3077449 FXUHCVUXKHUOBM-UHFFFAOYSA-N 320.440 2.725 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1 84110577 DJVACXPFOFJKTM-OAHLLOKOSA-N 313.401 2.675 0 40 DFAB CCOCCNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 47862571 IZAQUAUYGBPCLR-UHFFFAOYSA-N 313.348 2.723 0 40 DFAB CCOC(=O)C1(CNC(=O)N(C)[C@H](C)c2ccco2)CCC1 77855648 ZLYHGVKOQCJZCG-GFCCVEGCSA-N 308.378 2.715 0 40 DFAB CCCCOc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1 1880479 NFRCXIFPMBJPAU-LJQANCHMSA-N 324.380 2.949 0 40 DFAB O=C(O)CSc1nccn1-c1ccc(Br)cc1 3399156 PEEPFTNBRLCVMY-UHFFFAOYSA-N 313.176 2.812 0 40 DFAB O=C(/C=C/c1ccccn1)Nc1ccccc1C(=O)N1CCCC1 55053149 PYFWQQDUJLCCCO-ZHACJKMWSA-N 321.380 2.970 0 40 DFAB COc1ccc(CNC(=O)[C@@]23CC[C@H](C2)C(C)(C)C3=O)cc1 100868054 BPTCTPYLUHDTEM-ACJLOTCBSA-N 301.386 2.707 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 48090502 QYTSAMTWUASGIX-CABCVRRESA-N 319.401 2.564 0 40 DFAB COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)n1 56405452 FSXWAULZCVWSJW-MRXNPFEDSA-N 310.353 2.628 0 40 DFAB O=C(N[C@@H]1CCCCNC1=O)c1sccc1-c1ccccc1 56977844 KENVYZQAFZHVCS-CQSZACIVSA-N 314.410 2.814 0 40 DFAB FC(F)(F)c1ccc(OCCNC2CCSCC2)nc1 95415593 TWPOSHDMTLZVGO-UHFFFAOYSA-N 306.353 2.964 0 40 DFAB O=C(NCC1(c2ccccc2)CCC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105317 HJAINZDUKQIVAB-OWCLPIDISA-N 300.402 2.727 0 40 DFAB Cc1ccc(-n2nnc(C(=O)O)c2-c2ccncc2)cc1Cl 62267603 NEKQRKWAHRXJBQ-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB in-vitro O=C(C1CC=CC1)N1CCC[C@]2(CC1)CCN(CC1CC1)C2=O 108535776 FOJYOEIXYNGEBQ-IBGZPJMESA-N 316.445 2.594 0 40 DFAB O=C(COC(=O)Cc1ccsc1)Nc1cccnc1Cl 3369908 YDKYUIYBZDACEW-UHFFFAOYSA-N 310.762 2.521 0 40 DFAB COc1ccc(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 22326169 BGERNEARFZYDES-QGZVFWFLSA-N 310.353 2.505 0 40 DFAB CCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2230272 QLLZBUBVZQNWCI-UHFFFAOYSA-N 305.399 2.954 0 40 DFAB biogenic CCOC(=O)c1ccc(I)cc1OCC 22001261 PSWFNFYIHPYPCC-UHFFFAOYSA-N 320.126 2.867 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 36395993 OQZWHRJYUYUDJN-VIFPVBQESA-N 318.295 2.941 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 60164923 LVROUGRBIIPIEX-STQMWFEESA-N 315.417 2.520 0 40 DFAB Cc1csc2nc(COC(=O)C3CCCCC3)cc(=O)n12 10627679 XFXMJQFGSGAWTG-UHFFFAOYSA-N 306.387 2.688 0 40 DFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)sc1C(=O)O 37225789 QQKKDGBMAHBVSP-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB CCN1CCN(Cc2ccc(NC(=O)CC(C)C)cc2)CC1 46939294 LVAMDUCLVUPXEN-UHFFFAOYSA-N 303.450 2.809 0 40 DFAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1c[nH]c(=O)c(C)c1 92822800 SYLQGSNLEBDVFH-BNOWGMLFSA-N 321.421 2.645 0 40 DFAB Cc1ccc(SCCNC(=O)c2ccc(C(N)=O)cc2)cc1 9889010 GHTGVQZYBSHIRN-UHFFFAOYSA-N 314.410 2.616 0 40 DFAB CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 39130941 FXRGUZMTTRETKY-JTQLQIEISA-N 318.398 2.775 0 40 DFAB CC(C)Cn1ccc2cc(NC(=O)N3CC[C@@H](O)C3)ccc21 96009303 GRWTXEOYJNXMJG-OAHLLOKOSA-N 301.390 2.896 0 40 DFAB Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1F 14136430 GNHLEJYDMRCGFT-UHFFFAOYSA-N 315.344 2.878 0 40 DFAB O=C1COc2ccc(C(=O)Nc3cccc4ncccc34)cc2N1 14180778 DDKZZJCMZOJGTO-UHFFFAOYSA-N 319.320 2.818 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1cc2ccccc2cc1OC 4836138 BFGZGGDQZIAEJX-GFCCVEGCSA-N 315.369 2.920 0 40 DFAB NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 4891393 KAHRNQMSJCBFOY-UHFFFAOYSA-N 310.382 2.951 0 40 DFAB COc1ccc(CN[C@H](C)c2nnc3ccccn23)c(OC)c1 15593705 QXOJUIOYWCMBBY-GFCCVEGCSA-N 312.373 2.597 0 40 DFAB CCc1ccc(C(C)(C)CNS(=O)(=O)Cc2ccon2)cc1 80283745 XDOYJGBZRJPTBI-UHFFFAOYSA-N 322.430 2.634 0 40 DFAB COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344905 KPDFRFABODOISC-UPZJHPNMSA-N 316.184 2.775 0 40 DFAB O=C(NCCCn1ccnc1)Nc1cccc(-n2cccc2)c1 69325034 DDXDTPLOEDQRQN-UHFFFAOYSA-N 309.373 2.886 0 40 DFAB CCCNC(=O)[C@](C)(NC(C)=O)c1cccc(C(F)(F)F)c1 69415934 WIOSRCZIQFVADV-CQSZACIVSA-N 316.323 2.583 0 40 DFAB COCCNC(=O)/C(=C/c1ccccc1)c1nc2ccccc2[nH]1 8424841 JLZYSIBQRYESOG-FYWRMAATSA-N 321.380 2.866 0 40 DFAB Cc1cnn(CC2CCN(C[C@H](O)c3ccccc3F)CC2)c1 71876485 JHXLAICZYUBCKG-SFHVURJKSA-N 317.408 2.776 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)C3CCCC3)CC2)nc(C)n1 69660501 HJWFCGMSZKBFIL-UHFFFAOYSA-N 316.449 2.711 0 40 DFAB CCN1CCCN(C(=O)CCc2nc3ccccc3s2)CC1 69737155 LLVMAFLXKDVFHV-UHFFFAOYSA-N 317.458 2.783 0 40 DFAB COc1ccccc1CC(C)(C)NC(=O)CCn1cc(C)cn1 69773367 HLPHTXZLUDABTP-UHFFFAOYSA-N 315.417 2.728 0 40 DFAB COC(=O)[C@@H]1CN(Cc2cnc(C3CCCC3)s2)C[C@@H](C)O1 92013192 PBQBMPDPNPRDKF-RISCZKNCSA-N 324.446 2.563 0 40 DFAB CCOC(=O)c1cnc(SC)nc1Sc1ccncc1 8716910 FBBLKVWEBSDGHU-UHFFFAOYSA-N 307.400 2.921 0 40 DFAB CCN1CC[C@H](NC(=O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 97083286 ZFHMNQJNWGSLKY-ZFWWWQNUSA-N 312.335 2.765 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)on1 97017517 YITZCLDTHBFXRF-ZDUSSCGKSA-N 320.320 2.883 0 40 DFAB C[C@@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)n1cncn1 72293443 BTKBMUKFEHKJEA-LBPRGKRZSA-N 324.388 2.943 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2cncnc2C)n1 72273841 HVHQRHOJOIOZTN-ZDUSSCGKSA-N 302.403 2.917 0 40 DFAB CC(C)c1nc([C@@H]2CCCN2C(=O)CCc2cscn2)no1 72299389 ZYQLCPLGGRWUJA-LBPRGKRZSA-N 320.418 2.946 0 40 DFAB COc1ccccc1-c1cc(C(=O)OCc2cncs2)n[nH]1 97138924 HCUAGDJUGCVOBK-UHFFFAOYSA-N 315.354 2.899 0 40 DFAB Cn1cc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cn1 97202770 ZYKMDGNBROBITA-UHFFFAOYSA-N 323.400 2.850 0 40 DFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCCc1ccccn1 95396451 SSAUFIQZTJXHIU-INIZCTEOSA-N 314.433 2.832 0 40 DFAB CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C 84670908 RHWYIVJBFBUZQB-HZPDHXFCSA-N 314.429 2.982 0 40 DFAB CCNC(=O)C(C)(C)CN[C@@H](C)c1occc1Br 95991708 SKLILKDIALTMCS-VIFPVBQESA-N 317.227 2.855 0 40 DFAB Cc1cnc(C[S@](=O)c2cc3c(cc2Cl)OCCO3)o1 86304287 OIYIVNNDIHNMGK-HXUWFJFHSA-N 313.762 2.715 0 40 DFAB OCC[C@H]1CCCN(Cc2cn(-c3ccc(Cl)cc3)nn2)C1 89793891 XTZJQEKGHHBRBG-CYBMUJFWSA-N 320.824 2.515 0 40 DFAB NC(=O)N1CCC(N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 89857750 UPMYDVPDRJEHGE-HNNXBMFYSA-N 315.417 2.566 0 40 DFAB COCCn1cc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)cn1 89905479 LGPPJDBEISTSGG-WBVHZDCISA-N 314.433 2.777 0 40 DFAB CCOc1cc(Cl)ccc1NC(=O)NCc1ccnn1C 89990960 UXUGHTLRADBYHX-UHFFFAOYSA-N 308.769 2.794 0 40 DFAB COc1ccc2cc(NC(=O)NCc3cccnc3)ccc2n1 171279257 GIOBWARCNFGQFF-UHFFFAOYSA-N 308.341 2.960 0 40 DFAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)OC)CC1 175722317 OFSOWCXNPLIRAF-OAHLLOKOSA-N 319.401 2.564 0 40 DFAB CN(Cc1noc(C2CC2)n1)C(=O)c1cccc2cccnc12 556835044 VENCTKXGERBZKE-UHFFFAOYSA-N 308.341 2.767 0 40 DFAB O=C1CN(Cc2ccc3ccccc3n2)CCN1C1CCCC1 36753027 USDNYTGRNMUUEX-UHFFFAOYSA-N 309.413 2.822 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)N1CCC=C(c2cccnc2)C1 520607924 LWKSGZQFDNXXKH-UHFFFAOYSA-N 310.401 2.670 0 40 DFAB COCCCn1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)n1 77514972 PRVZZOYMPSTTCJ-NSHDSACASA-N 323.422 2.567 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n[nH]1 76059931 FAXRHHRMQSSNCB-LBPRGKRZSA-N 301.394 2.584 0 40 DFAB O=C(COc1ccc(CO)cc1Cl)Nc1ccccc1F 33615182 MOXIDABPXUPWJE-UHFFFAOYSA-N 309.724 2.989 0 40 DFAB Cc1ccc(Nc2nc([C@H]3CCCN(CCO)C3)cs2)nc1 72367760 SALDAAFGJXEHSO-ZDUSSCGKSA-N 318.446 2.762 0 40 DFAB Cc1cc(C)c(C(=O)NCc2csc(C(C)C)n2)c(=O)[nH]1 73439659 SIEDTFJKYXKCGE-UHFFFAOYSA-N 305.403 2.502 0 40 DFAB CC(C)N(C(=O)N[C@H](C)c1nc(-c2cccnc2)n[nH]1)C(C)C 72346345 UNBCFZPHNYWDSI-GFCCVEGCSA-N 316.409 2.756 0 40 DFAB COC(=O)c1ccc(C)cc1OCC(=O)N1CCCCCC1 40051874 RMXMRYDMXUYVPN-UHFFFAOYSA-N 305.374 2.563 0 40 DFAB Cc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1C 224166097 PDOKWGAXOBQBTA-UHFFFAOYSA-N 319.426 2.802 0 40 DFAB C[C@H](NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1cn[nH]c1 535315307 SDWAJZLUQSKGDT-ZETCQYMHSA-N 305.288 2.715 0 40 DFAB Cn1cc([C@@H]2CCCCN2C(=O)c2cncc(Cl)c2)cn1 571374225 IBBYWYIQZSRLGC-AWEZNQCLSA-N 304.781 2.836 0 40 DFAB O=C(Nc1cccc(-n2cccc2)c1)N(CCO)CC(F)F 193948443 VLYNNFCMLINEHV-UHFFFAOYSA-N 309.316 2.569 0 40 DFAB CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccs2)C1 195535175 UEICVSPOHCMFKA-RZZGRXHGSA-N 314.476 2.627 0 40 DFAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1 45476727 IMUSZYGIQRELCO-CQSZACIVSA-N 315.369 2.658 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)o1 577460757 VKJKMSZEPZAFPK-MQMHXKEQSA-N 309.362 2.952 0 40 DFAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3csc(C)n3)O2)n1 96041072 PVRDNAPZEMFTHP-MGPQQGTHSA-N 320.418 2.638 0 40 DFAB C[C@H]1C[C@H](NCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)CN1C 90944357 VJTNYVFQGUVDEG-GLJUWKHASA-N 316.424 2.830 0 40 DFAB CC(C)COc1ncc(C(=O)N(C)c2cnn(C)c2)cc1Cl 97370808 FWTKEWOQDQUASS-UHFFFAOYSA-N 322.796 2.780 0 40 DFAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)NCc1cccs1 97377235 SFNRJQQLCZAYJU-NSHDSACASA-N 306.435 2.816 0 40 DFAB c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccsc2)c1 97953740 QCALDMCDNCNHJZ-YESZJQIVSA-N 316.426 2.954 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2)cc1 96426987 ITJJEBGZGFSJAQ-NRFANRHFSA-N 305.403 2.628 0 40 DFAB C[C@H]1CCN(C(=O)[C@@H](C)[C@@H](C)C(=O)N2CC[C@@H](C)[C@H]2C)[C@H]1C 252587697 ZXNYITSZMOXYCQ-SQNSNAQRSA-N 308.466 2.772 0 40 DFAB COc1ncccc1CNC(=O)NCCc1c[nH]c2ccccc12 26384792 WRLNPBXCAAIEPW-UHFFFAOYSA-N 324.384 2.613 0 40 DFAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccccc1 257283690 OZJRIZHEHUZPTB-QZTJIDSGSA-N 314.429 2.621 0 40 DFAB CCc1cc(C(=O)N2Cc3nccn3C[C@H]2c2ccccc2)no1 257265741 MABQPVWVJHWGPO-INIZCTEOSA-N 322.368 2.831 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2Cc2cccc3cccnc23)n1 257212831 CFDMXKUNXPMEHI-MRXNPFEDSA-N 308.385 2.840 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 250484868 YGTMCRFFSFWHOX-COPLHBTASA-N 304.415 2.948 0 40 DFAB Cc1ocnc1C(=O)N1Cc2nccn2C[C@H]1c1ccccc1 257246275 ITKJSPLLSVSWTR-AWEZNQCLSA-N 308.341 2.577 0 40 DFAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCNCC2 276716333 XGTLHVUHOGOPQQ-DLBZAZTESA-N 318.486 2.779 0 40 DFAB CCCNC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 69041865 MHKDRPDFISCPHE-UHFFFAOYSA-N 308.769 2.642 0 40 DFAB O=C(NCCCc1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 162771909 CYGCKGYLJOOQMI-QGZVFWFLSA-N 324.428 2.592 0 40 DFAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@]1(C)CC1(Cl)Cl 71899990 OQXXCXGDYUNDDQ-JMCQJSRRSA-N 304.221 2.798 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@H](C)COc1ccc(F)cc1F 55697779 HVYQKSWMUGYJOT-SECBINFHSA-N 324.327 2.696 0 40 DFAB O=S(=O)(Cc1ccccc1C(F)(F)F)C[C@@H]1CCCO1 95948634 JRNQWGFBBOCUAB-NSHDSACASA-N 308.321 2.799 0 40 DFAB Cc1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)nn1 641686321 QYEJAAYJANRQOV-UHFFFAOYSA-N 323.322 2.525 0 40 DFAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC 72203 IEFDWUZKQGOQSI-JMUHATKESA-N 324.764 2.706 0 40 DFAB Cc1ccc([C@@H](NC(=O)Cn2ccnc2)c2ccncc2)cc1C 19213581 PIMJVTKHJPAYGC-IBGZPJMESA-N 320.396 2.801 0 40 DFAB CCSC[C@H](C)N(C)C(=O)c1cnc(C(F)(F)F)nc1 157778974 YXUHWNOXAOCXTA-QMMMGPOBSA-N 307.341 2.709 0 40 DFAB CC(C)(C)C(=O)NC(=S)Nc1cccc(/C=C/C(=O)O)c1 226322896 YXBWAODWGMUEGS-BQYQJAHWSA-N 306.387 2.644 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1C 87261 MYZLLDGORIGTOE-CQSZACIVSA-N 312.369 2.884 0 40 DFAB c1ccc(OC[C@H]2CCN(c3ncnc4sccc34)C2)nc1 1889148779 JILDKNBUWKIHRS-LBPRGKRZSA-N 312.398 2.992 0 40 DFAB CCn1nccc1CNC(=O)c1ccccc1Br 28219371 XFMUOVRAHODDFM-UHFFFAOYSA-N 308.179 2.596 0 40 DFAB O=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccsc1 83042 AVMFUGWBLAJPER-GXDHUFHOSA-N 316.382 2.734 0 40 DFAB CC(C)Nc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1 108831 RRKMZKXSSIMTNF-UHFFFAOYSA-N 309.377 2.646 0 40 DFAB Cc1cccc(Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)c1 5398124 LPNKVDGYOGTADP-UHFFFAOYSA-N 320.348 2.996 0 40 DFAB Cc1nn(C)c2ncc(C(=O)N(C)CC3CCCCC3)cc12 40062218 QMCGUKQGDORBJR-UHFFFAOYSA-N 300.406 2.929 0 40 DFAB COc1ccc(NC(=O)c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 148434 FCUCRMINBHLDAR-NSHDSACASA-N 315.325 2.799 0 40 DFAB CC[C@H]1c2c(nc(C)[nH]c2=O)Oc2c1c(=O)oc1ccccc21 156785 KSQHGFDZTKOHPH-SECBINFHSA-N 310.309 2.832 0 40 DFAB COc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 162985 HJOZTUGWIJDIEC-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB COc1ccc(F)cc1C(=O)Nc1cccnc1-n1cccn1 31950951 RQRINMCIZBZTNL-UHFFFAOYSA-N 312.304 2.667 0 40 DFAB CCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 20879859 INWNZWMSPBTVDO-UHFFFAOYSA-N 313.357 2.876 0 40 DFAB C/C=C/c1ccc(OCC(=O)NCc2cccnc2)c(OC)c1 21043826 NGJSNBYAMVCVQX-HWKANZROSA-N 312.369 2.819 0 40 DFAB C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(F)cc1F 32814822 DAGTZUDVVLBAGM-VIFPVBQESA-N 301.358 2.916 0 40 DFAB CCCC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 486994 DFAZRNJWZCJIGB-UHFFFAOYSA-N 320.345 2.710 0 40 DFAB biogenic COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccccn1 516554 BFVCCNUASPAHSP-MDZDMXLPSA-N 313.382 2.617 0 40 DFAB CCC(=O)c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 560818 MCKFEEMHQUEWTP-ZDUSSCGKSA-N 314.385 2.529 0 40 DFAB NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 509533 NNRCADMFWHJEEJ-ONGXEEELSA-N 310.279 2.642 0 40 DFAB CS(=O)(=O)c1ccc(OCCNC2CCCCCC2)cc1 53589188 NIBKWSNDYMZQDN-UHFFFAOYSA-N 311.447 2.781 0 40 DFAB COC(=O)N1CCC[C@H](C(=O)Nc2cccc3ncccc23)C1 103939258 ZMXAPQLLYXIFCT-LBPRGKRZSA-N 313.357 2.652 0 40 DFAB COC1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 53886384 BXRYBMSAUDIUCN-LBPRGKRZSA-N 309.793 2.529 0 40 DFAB COC(=O)c1sccc1NC(=O)CSc1ccccn1 117884 ATKIPVZCFFSLDK-UHFFFAOYSA-N 308.384 2.661 0 40 DFAB COc1nc(NCc2ccccc2)nc(NCc2ccco2)n1 246992 NXIOBJYOCVUSOJ-UHFFFAOYSA-N 311.345 2.697 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(=O)Nc1ccc(O)cc1 77613637 RUJWPRDIGKRDIJ-IRXDYDNUSA-N 324.380 2.559 0 40 DFAB COc1ccc([C@@H]2OC3=Nc4ccccc4N[C@@H]3C2=O)cc1OC 1588554 HDGIXWOCASFWDK-WBVHZDCISA-N 324.336 2.869 0 40 DFAB COc1cccc2c(=O)n(CC(=O)Nc3ccccc3C)ccc12 2706558 XRWVTZXMVUVBFG-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB O=Cc1cn(CC(=O)Nc2cccc(C(=O)O)c2)c2ccccc12 4245444 AGEAWPYWUASESE-UHFFFAOYSA-N 322.320 2.791 0 40 DFAB CN(CC1CCCCC1)C(=O)c1cccc(NS(C)(=O)=O)c1 12544934 WIEAZTWUYBOJBG-UHFFFAOYSA-N 324.446 2.710 0 40 DFAB CC(=O)c1ccc(C(=O)Nc2cccnc2-n2cccn2)s1 25010788 QCVSCCYFCQDUEY-UHFFFAOYSA-N 312.354 2.784 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2cc(C)nn2C)c(OC)c1 43433739 AYZMEWAGXPQWKQ-NSHDSACASA-N 318.377 2.628 0 40 DFAB O=C(C1CCN(c2ncccn2)CC1)N(C1CCCC1)C1CC1 84613407 MZEYOGXWKJIBBW-UHFFFAOYSA-N 314.433 2.627 0 40 DFAB CN(C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)C1CC1 55720032 REZFYMLDGCPKLW-LBPRGKRZSA-N 300.855 2.791 0 40 DFAB C[C@@H](Nc1cc(N2CCC[C@H]2CO)ncn1)c1cccs1 106905797 ADFUZOJSNXAERI-NEPJUHHUSA-N 304.419 2.672 0 40 DFAB C[C@H](CC(=O)N1CCc2ccccc21)NC(=O)c1ccccc1 25378667 UULHBVXEQQRCTF-CQSZACIVSA-N 308.381 2.784 0 40 DFAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 56158609 BTRYVMYWQQVYAC-LLVKDONJSA-N 307.394 2.970 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 35218831 YMCSECLPXMPGFD-SNVBAGLBSA-N 313.756 2.894 0 40 DFAB Cc1cccc(OCCCN2Cc3ccccc3C[C@H]2C(N)=O)c1 35287014 ZLEHWEVPKYGVER-IBGZPJMESA-N 324.424 2.676 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 95411140 MMJFNMQUIYXZSW-FQUUOJAGSA-N 300.468 2.870 0 40 DFAB CC(C)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 44295891 XEKGNAQORBPDEJ-AWEZNQCLSA-N 323.389 2.994 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCCCOC(C)C)c12 35686484 BPAXLTFZVPFYCM-UHFFFAOYSA-N 317.389 2.954 0 40 DFAB CCN1CCN([C@@H](C)CNc2nc3ccccc3s2)CC1 58015480 TZZZJSDSRCECSS-ZDUSSCGKSA-N 304.463 2.734 0 40 DFAB c1ccc(COc2cncc(N3CCCN4CCC[C@@H]4C3)n2)cc1 86181375 AKDAOZKJJFYBEC-QGZVFWFLSA-N 324.428 2.730 0 40 DFAB S=C(Nc1ccc(N2CCOCC2)nc1)NC1CCCCC1 55031723 BPHJHJXJKQEIGI-UHFFFAOYSA-N 320.462 2.537 0 40 DFAB NC(=O)COC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 103058362 UYCWGFBABHSOAJ-IHWOHKJGSA-N 313.397 2.553 0 40 DFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)cnc2ccccc21 3326166 MWBOWUHHDCTFLM-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB O=C(CCc1cccnc1)N1CCC[C@H](c2nccs2)C1 109052652 UVHXXUPRXCROPP-AWEZNQCLSA-N 301.415 2.877 0 40 DFAB CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccn(C)c(=O)c2)cc1 45239535 TVBIFYPECJYQIY-CYBMUJFWSA-N 314.385 2.664 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@@H]2CC[C@@H]1COC2 101466945 VKEXZMDRNQPFKE-CHWSQXEVSA-N 309.793 2.887 0 40 DFAB CC1=NN(c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 45790853 NAPBJIHEQKNRFS-OKILXGFUSA-N 301.390 2.522 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 45948907 OIUQPJMHZODAHJ-SECBINFHSA-N 306.749 2.758 0 40 DFAB C[C@H]1CCCN(CCCCNC(=O)c2n[nH]c3ccccc23)C1 46991806 LHAIKWMQKZCRJE-AWEZNQCLSA-N 314.433 2.805 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 3525253 ROVLPMFATNKFJY-UHFFFAOYSA-N 313.309 2.519 0 40 DFAB NC(=O)c1ccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1 95427662 KFSFYBSZMOFTBC-UHFFFAOYSA-N 324.380 2.544 0 40 DFAB COc1cccc(C(=O)NCCN[C@H]2CCCC[C@@H]2C2CC2)c1 96003159 CZFJAPPNYKNONN-MSOLQXFVSA-N 316.445 2.983 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)Nc1nc2c(s1)CCC2 49486099 KJDNFDCSUARVKA-ZCFIWIBFSA-N 312.445 2.603 0 40 DFAB O=C(COC(=O)c1ccccc1F)Nc1cccnc1Cl 5117818 BBNPPMQFKZMJIQ-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1 5222997 DCRRYJUMKSFIMD-UHFFFAOYSA-N 309.774 2.996 0 40 DFAB CCCc1nc(C(C)(C)NC(=O)c2scnc2Cl)no1 65404980 LYVBPTAVGMUOTF-UHFFFAOYSA-N 314.798 2.797 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(Br)cc1F 65549354 PPTJXQQNBAGBPO-SSDOTTSWSA-N 305.147 2.745 0 40 DFAB CCc1nc2cc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)ccc2o1 65553098 QEQJBJKWSUXMDQ-NSHDSACASA-N 315.373 2.586 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(F)cc2)c1C 14185093 KBKZCOUVRSPEEW-UHFFFAOYSA-N 302.349 2.946 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 95411391 YMYUUDOAFOXHEB-JKSUJKDBSA-N 324.371 2.828 0 40 DFAB COc1cc(OC)c(N[C@H](C)C(=O)N2CCCC2)cc1Cl 6638014 QUKANIWDDDSLSA-SNVBAGLBSA-N 312.797 2.780 0 40 DFAB CCCc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 6756424 ZOWVCYRVLIKMHQ-UHFFFAOYSA-N 304.375 2.823 0 40 DFAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCOCC3)c12 6758940 DJLRTUSGIZBCRH-UHFFFAOYSA-N 322.412 2.933 0 40 DFAB COC[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc(C)o1 96445869 OLBPMKQZSZOCFU-JTQLQIEISA-N 322.390 2.826 0 40 DFAB CC(C)OC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 71924067 REENDKQKAXCKDP-UHFFFAOYSA-N 303.402 2.923 0 40 DFAB CN1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 8091689 SHWAVLARMCJHSB-UHFFFAOYSA-N 301.818 2.860 0 40 DFAB CCCN1CCC(NC(=O)COc2cccc(Cl)c2)CC1 8157448 UYSGJFPERZFZQW-UHFFFAOYSA-N 310.825 2.709 0 40 DFAB COc1ccc2cc(C(=O)N3CCC[C@H]3Cn3cccn3)[nH]c2c1 70040714 ZSDCFGYCFJNIIA-AWEZNQCLSA-N 324.384 2.678 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 69396982 MXBTVXHJNCTMSX-VXGBXAGGSA-N 318.343 2.947 0 40 DFAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(-c2ccsc2)c1 69419173 ABWWBFRTGJNONP-SNVBAGLBSA-N 303.387 2.671 0 40 DFAB C[C@H](Cn1cccn1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 69560051 XIUFQWTVJHQZAD-RISCZKNCSA-N 313.323 2.614 0 40 DFAB NC(=O)c1ccc(Cl)cc1OCc1noc(-c2ccoc2)n1 69595117 QEMPLYOJLMRDCE-UHFFFAOYSA-N 319.704 2.661 0 40 DFAB Cc1cc(CNC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)no1 69620066 CWZOEMNQQUKQHU-CYBMUJFWSA-N 309.410 2.720 0 40 DFAB Cc1cc(C)n2c(CN3CCC[C@@H]3c3cnn(C)c3C)cnc2n1 91967372 OWZZJPBSVADTSE-QGZVFWFLSA-N 324.432 2.725 0 40 DFAB CCn1nccc1CN(C)C(=O)Nc1cccc(C(C)=O)c1 28219137 DEVSFBQBYKPQTM-UHFFFAOYSA-N 300.362 2.770 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 71184964 XPYKDEBCTVGCSG-GFCCVEGCSA-N 324.371 2.589 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)COc2ccccc2C)C12CCC2 72295476 FIVFXGOULJDQBT-HZPDHXFCSA-N 303.402 2.838 0 40 DFAB CCN(CC)c1ncc(CN[C@@H](C)Cn2cc(C)cn2)s1 72267377 XALVFVZCMPASAE-ZDUSSCGKSA-N 307.467 2.673 0 40 DFAB COc1ccc([C@@H](NC(=O)CN2CCCCC2=O)C(C)C)cc1 97219526 BKGBGZTWSNQJMU-SFHVURJKSA-N 318.417 2.521 0 40 DFAB Cn1ccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)n1 89756664 CZDBYNVIKVTFDU-UHFFFAOYSA-N 307.329 2.776 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 123371220 CEMLAYQDMWFPDU-CVCJPJSSSA-N 306.446 2.930 0 40 DFAB CC(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1 72340160 BRIBUBDEZWBZIN-UHFFFAOYSA-N 316.430 2.943 0 40 DFAB CSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCCCC1 31872399 SZELRWDLPYBUNP-RAXLEYEMSA-N 305.403 2.625 0 40 DFAB COc1ccc(OC)c2c1cc(C(=O)Nc1ccncc1)n2C 72402371 JXBNEQSKCGPLKC-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB CN(C)C1(CNc2ncccc2C(F)(F)F)CCOCC1 72947744 XKLKEDKDBKAULV-UHFFFAOYSA-N 303.328 2.623 0 40 DFAB CSCC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36602008 FECGORXRGYRFQZ-CQSZACIVSA-N 317.414 2.588 0 40 DFAB O=C(NC[C@H](O)c1ccccc1)c1cccc(-n2cccc2)c1 36360473 UUHGZTJKUSIPJJ-SFHVURJKSA-N 306.365 2.941 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1 36139437 SSSCGDAKSKRICC-CABCVRRESA-N 302.761 2.764 0 40 DFAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C1CCOCC1 77323472 SBWGHNLLNNRQPV-UHFFFAOYSA-N 300.402 2.918 0 40 DFAB C[C@H]1CN(CC(=O)NCc2ccc(Cl)s2)CCC1(F)F 568332187 LJMREDHRNCTKDQ-VIFPVBQESA-N 322.808 2.995 0 40 DFAB NC(=O)CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72367811 IKLQSUGMHWVEGU-CYBMUJFWSA-N 313.376 2.552 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c(C)c1 47462006 HKOLOBNDUCPAGZ-UHFFFAOYSA-N 323.389 2.930 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 72360174 CMYTYQCNQRGBGS-GFCCVEGCSA-N 303.391 2.669 0 40 DFAB CCc1nc(CCNC(=O)c2cccc3[nH]ncc23)sc1C 78403204 OSJOERJXTIWIRH-UHFFFAOYSA-N 314.414 2.863 0 40 DFAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC(C)C)n1 225887567 APYALBQBGCAKOP-NSHDSACASA-N 323.466 2.559 0 40 DFAB O=C(O)C[C@@H](NC(=S)Nc1ccncc1)c1ccc(F)cc1 225217818 WGINKCJKYBBLAG-CYBMUJFWSA-N 319.361 2.723 0 40 DFAB C[C@H](CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12 44136213 MJFOIOWFYPCSSQ-LLVKDONJSA-N 321.808 2.577 0 40 DFAB in-vitro CCC(=O)NC(=S)Nc1cc(C)c(O)c(Br)c1 226243466 QQRAWUJJAXALBJ-UHFFFAOYSA-N 317.208 2.686 0 40 DFAB CCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC 225455864 CNIJRUUAVDTKOA-CABCVRRESA-N 304.434 2.771 0 40 DFAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc2cccnc2[nH]1 531772925 OPAYUHODFKZDKR-UHFFFAOYSA-N 317.352 2.930 0 40 DFAB CC(C)(C)OC(=O)c1cccc(CS[C@@H]2CCNC2=O)c1 192594227 BCZATBBDSPSTAV-CYBMUJFWSA-N 307.415 2.764 0 40 DFAB CCOC(=O)CC(=O)Cc1ccc(OC)c(Br)c1 199567051 VCMHSUPGCBIPKW-UHFFFAOYSA-N 315.163 2.523 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1C 223914435 NSVASSMEIAILFL-BFHYXJOUSA-N 309.431 2.779 0 40 DFAB COc1cnc(N(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)nc1 332176085 NREDRTRXGKWRDL-SNVBAGLBSA-N 317.414 2.948 0 40 DFAB Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)nc1 96186418 GERVKYKUZUJUIE-HOTGVXAUSA-N 308.385 2.559 0 40 DFAB Cc1csc([C@@H](C)NC(=O)NC[C@@](C)(O)c2ccc(C)o2)n1 96439760 XSSRFGFWHPNQOU-IAQYHMDHSA-N 323.418 2.621 0 40 DFAB O=C(c1ccco1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109361 LNDVTUWGXVIDDY-KDOFPFPSSA-N 312.369 2.996 0 40 DFAB Cc1nc(C)c(-c2nn3c(-c4ccccn4)nnc3s2)s1 95474071 GPRNDMOWORKZLK-UHFFFAOYSA-N 314.399 2.988 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(N(C)C)nc1 96415805 DKTXITXHOHCBBR-SNVBAGLBSA-N 317.393 2.505 0 40 DFAB Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1Cl 96452257 DMKRKMOPTFZODB-SNVBAGLBSA-N 307.781 2.533 0 40 DFAB CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2cccs2)s1 257294138 QSRVGWLIDPWIAD-SECBINFHSA-N 321.427 2.542 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 257270242 MTHKIZKTLVTIQG-INIZCTEOSA-N 323.400 2.822 0 40 DFAB C[C@@H](NCCN1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 252586313 PBNCDAAJHIVXRQ-HZPDHXFCSA-N 313.449 2.792 0 40 DFAB CCC(=O)N1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 257246392 ITYKWQJGTRAFMF-LLVKDONJSA-N 317.418 2.711 0 40 DFAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C)Cc1ccco1)C2 64389260 RRXLRHVKXRGWGA-TZMCWYRMSA-N 315.369 2.587 0 40 DFAB Cc1cc([C@@H]2CN(CCOc3ccccc3)CCO2)nc(C)n1 257311560 UKARTOVKGRGBQJ-SFHVURJKSA-N 313.401 2.546 0 40 DFAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](c2nccs2)C1 257301268 RXSGXFRBIXNMBZ-LBPRGKRZSA-N 314.414 2.830 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 299850992 ROPUISJDLDPYIJ-AWEZNQCLSA-N 321.428 2.995 0 40 DFAB O[C@@H]1[C@@H](NCCC2(O)CCCC2)CCC[C@H]1Oc1ccccc1 585289604 SDHUQFMWDROMLW-RCCFBDPRSA-N 319.445 2.632 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1csc(C2CC2)n1 67027537 XHMZTEBCPLRVJZ-LBPRGKRZSA-N 321.402 2.506 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C 76962269 ZGHDRWNLXGJYDY-QEJZJMRPSA-N 302.418 2.518 0 40 DFAB O=C(O)CN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 95969941 NYWQIWRLKJKADW-UHFFFAOYSA-N 322.364 2.824 0 40 DFAB O=C(O)c1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2)cc1 1554502503 FKFIMLZTPNOGAN-ZDUSSCGKSA-N 310.309 2.552 0 40 DFAB C[C@H](c1cccc(F)c1)n1cc(C(=O)NC2CCCC2)nn1 12113268 SABFZDJTHRGDTN-LLVKDONJSA-N 302.353 2.699 0 40 DFAB COc1ccccc1CNC(=S)Nc1ccc2c(c1)OCO2 13815048 RAJSAJDOKFUHNE-UHFFFAOYSA-N 316.382 2.911 0 40 DFAB Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@H]3C)c(=O)c2c1 19219808 PVKHVPQESLXAED-GDBMZVCRSA-N 312.413 2.770 0 40 DFAB COC(=O)c1cc(Br)cc(N)c1Br 164504095 LHDOSPCMLOHBSS-UHFFFAOYSA-N 308.957 2.580 0 40 DFAB COC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 205814894 SXLYFAMRRMNZBR-UXBLZVDNSA-N 311.746 2.549 0 40 DFAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)no[n+]2[O-] 161275 RROGFXMRQACMJH-UHFFFAOYSA-N 304.693 2.759 0 40 DFAB CCC(=O)Nc1cc(Br)c2nc(NN)sc2c1 226309109 HAWCOMMNJLZHBG-UHFFFAOYSA-N 315.196 2.693 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CNc2ncccn2)nc1 1848356818 VGVXWGNHGYKYRD-UHFFFAOYSA-N 306.325 2.849 0 40 DFAB O=C(Cc1ccsc1)NCCn1cc(-c2ccccc2)cn1 239612051 FIPJUCFNDATFOG-UHFFFAOYSA-N 311.410 2.971 0 40 DFAB c1ccc(-c2ccc3nnc(SCc4cccnc4)n3n2)nc1 4273134 PZOSNHLBYQDWJG-UHFFFAOYSA-N 320.381 2.874 0 40 DFAB Cc1ccc(C)c(CSc2nn3c(=O)c(C)nnc3s2)c1 4347094 DLHSDEHJRRKUME-UHFFFAOYSA-N 318.427 2.764 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1cccc(F)c1)CC(C)C 31709051 XCCBMCHXASXEGA-OAHLLOKOSA-N 324.396 2.645 0 40 DFAB C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@@H](C)O1 31865424 ACTYIJWVKQVFRY-CHWSQXEVSA-N 316.426 2.988 0 40 DFAB CC(C)Oc1cccc([C@@H](C)NC(=O)CN2CCSC2=O)c1 40529507 RFFHYZFBCJNJQT-GFCCVEGCSA-N 322.430 2.820 0 40 DFAB Cc1cc(OCC(=O)Nc2ccccc2OC(F)(F)F)no1 32837410 JABGDTUIMPQFOO-UHFFFAOYSA-N 316.235 2.899 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccsc1)c1ccc(F)cc1 52870047 ZEVATJBSYCFZTJ-CYBMUJFWSA-N 307.346 2.921 0 40 DFAB O=C(CSC1CCCC1)NC(=O)Nc1ccc2c(c1)OCO2 53038381 CEJLSCCEIYDVGX-UHFFFAOYSA-N 322.386 2.739 0 40 DFAB CCS(=O)(=O)NCC(C)(C)c1ccc(Br)cc1 53667244 GISAGKBJWBAIJH-UHFFFAOYSA-N 320.252 2.666 0 40 DFAB O=C(Nc1cccc(C2SCCS2)c1)c1ccc(O)nn1 22764766 OJBJJJJFZGFSJC-UHFFFAOYSA-N 319.411 2.913 0 40 DFAB CCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(C)cccc32)cc1 299997 BXESKOOTKVAPPT-LJQANCHMSA-N 309.365 2.970 0 40 DFAB Cc1nc2sccn2c1C(=S)NC(=O)c1ccccc1F 12540388 IJJPIBWFIAPYMZ-UHFFFAOYSA-N 319.386 2.949 0 40 DFAB CCN(C)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 84760902 OYPGOOWRIPKCEY-UHFFFAOYSA-N 310.357 2.565 0 40 DFAB CO[C@@H](CNC(=O)CCn1cc(C)cn1)c1cccc(Cl)c1 78934474 CFYGLOUMCTVWKQ-HNNXBMFYSA-N 321.808 2.739 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1 3235792 JPZIQVHLBKUACP-UHFFFAOYSA-N 303.339 2.746 0 40 DFAB Cc1occc1CN(C)c1cc(C(F)(F)F)nc2ncnn12 54982166 JKCFQYZCVWJVIG-UHFFFAOYSA-N 311.267 2.681 0 40 DFAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2cccc(F)c12 24763511 GQXZVVFQGJVGFD-UHFFFAOYSA-N 320.389 2.686 0 40 DFAB FC(F)(F)c1ccnc(Nc2cnn(C[C@@H]3CCCO3)c2)n1 43272592 NZJRBHPRWSOOTH-JTQLQIEISA-N 313.283 2.615 0 40 DFAB O=C(Nc1ccc(F)cc1F)C1CCN(c2ncccn2)CC1 6767438 DJAFSOUKWYWYNI-UHFFFAOYSA-N 318.327 2.610 0 40 DFAB Cc1cc(CNC(=O)N2CCCC3(C2)OCCO3)ccc1Cl 95939515 DPCTVJWZHPIVLW-UHFFFAOYSA-N 324.808 2.697 0 40 DFAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NCCc1cccs1 43309770 KVAAWOVPDXNUHW-CQSZACIVSA-N 320.462 2.901 0 40 DFAB C[C@H](NC(=O)N1CCN(C2CC2)CC1)c1csc(C2CC2)n1 95958911 RZGAVKANMIRHCP-NSHDSACASA-N 320.462 2.571 0 40 DFAB Cc1cc(NC(=O)NCC[C@@H](C)O)nn1-c1cccc(Cl)c1 95992721 ZSFFGKBQKUMXTH-LLVKDONJSA-N 322.796 2.727 0 40 DFAB Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)c1 56001801 ABVADEOWNTXRJX-HZPDHXFCSA-N 300.402 2.527 0 40 DFAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CCC(C(=O)O)CC1 95989491 BWPUYKXKAMMVIC-TYUFSLCMSA-N 307.415 2.920 0 40 DFAB Cc1cccc2c(=O)n(CC(=O)NC3CCCCCC3)cnc12 12796528 SLJSYIMNKIJODH-UHFFFAOYSA-N 313.401 2.544 0 40 DFAB Cn1c(SCc2coc(-c3ccccc3Cl)n2)n[nH]c1=O 58145708 BJZOCOUWCRELRQ-UHFFFAOYSA-N 322.777 2.709 0 40 DFAB Cc1ccc(C(=O)NC[C@H](O)CO[C@@H](C)c2ccccc2)s1 58210595 GJHDCXPIMAUCKS-ZFWWWQNUSA-N 319.426 2.925 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)[C@H]3CCCO3)c12 27886711 YUJUGKBZFUEWII-YMTOWFKASA-N 315.373 2.706 0 40 DFAB Cc1n[nH]c(C)c1CCOC(=O)c1ccc(Br)o1 89282760 NXWKFTAZYCCXTB-UHFFFAOYSA-N 313.151 2.782 0 40 DFAB Cc1sc2c(=O)[nH]c(Cc3ccccc3C(=O)O)nc2c1C 26572129 VBEMHDWGTPSPOL-UHFFFAOYSA-N 314.366 2.890 0 40 DFAB CC(=O)NCCNC(=O)c1sc2cc(F)ccc2c1Cl 3353170 ZQOUHTQEDCHSJX-UHFFFAOYSA-N 314.769 2.560 0 40 DFAB C[C@@H](NC(=O)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 10967733 AMPCHPDRKSGQCX-GFCCVEGCSA-N 309.431 2.848 0 40 DFAB Cc1n[nH]cc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 38012292 YOBHKGFPKFHISX-UHFFFAOYSA-N 320.201 2.503 0 40 DFAB Cc1cnc(NS(=O)(=O)c2cccc3cccnc23)s1 28225516 APZRUSOUCGQYRD-UHFFFAOYSA-N 305.384 2.801 0 40 DFAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc2[nH]nnc2c1 9157047 FUPIGRCGOOIUCO-UHFFFAOYSA-N 304.256 2.812 0 40 DFAB CNC(=S)NCCn1c2ccccc2c2c(C)cc(C)nc21 3765464 LEFXCWYAJMFFGQ-UHFFFAOYSA-N 312.442 2.900 0 40 DFAB CC(C)NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 96009418 XGHNGDAEAJYFHR-CQSZACIVSA-N 313.405 2.769 0 40 DFAB Cc1nn(Cc2nc([C@H]3CCCCCN3)no2)c(C)c1Cl 96001567 OOJGJXMBYICTAU-LLVKDONJSA-N 309.801 2.789 0 40 DFAB CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 64723503 ITJZJVDIZNLPEK-UHFFFAOYSA-N 321.384 2.751 0 40 DFAB NC(=O)[C@@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 95433644 DHDJAEZFIFSHFS-LBPRGKRZSA-N 322.817 2.574 0 40 DFAB O=C(CSc1nc2ncccc2[nH]1)c1ccc2c(c1)OCO2 13865218 RSCLWWQLLVQANY-UHFFFAOYSA-N 313.338 2.662 0 40 DFAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CCC[C@H](C)C2)C1=O 9366450 GWHMCQHOYUIFFU-KBXCAEBGSA-N 315.417 2.533 0 40 DFAB NC(=O)[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 14073622 XENODWGPFMVSPF-ZDUSSCGKSA-N 307.708 2.863 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H](C)c1ccc(F)cc1 65586934 ZAQLEMYYPXLUOQ-XEZPLFJOSA-N 309.381 2.977 0 40 DFAB COc1ccccc1NC(=O)CN(C)Cc1ccccc1F 6589041 GMEVCHVNJRBFOA-UHFFFAOYSA-N 302.349 2.905 0 40 DFAB Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1C=O 9428946 ADXLMTLALRUHFD-UHFFFAOYSA-N 324.789 2.882 0 40 DFAB Cc1ccc([C@H]2CN(C(=O)N[C@H]3CCCSC3)CCO2)o1 95438133 UBEIAMMYVADCLR-GXTWGEPZSA-N 310.419 2.567 0 40 DFAB Cc1cc(CNC(=O)Nc2ccccc2-c2nnc(C)o2)no1 67582784 ZFVBJQFCVJZVCX-UHFFFAOYSA-N 313.317 2.663 0 40 DFAB COc1ccccc1NC(=O)Cc1noc(C(F)=C(C)C)n1 96487610 SMUDAKPQGCDVMW-UHFFFAOYSA-N 305.309 2.980 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)NCCc2cnn(C)c2)c1 96404747 UWLYUFKAZSYOAH-CQSZACIVSA-N 300.406 2.640 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@H](C)CN1CCCCC1 68115568 BMIBXCILUJAZHH-ZDUSSCGKSA-N 307.438 2.958 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CC=CCC1 71858730 BBVYLMWIGWTZLD-GFCCVEGCSA-N 300.337 2.583 0 40 DFAB CC1(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)CCOCC1 71898082 WMFZOGTUKKNJMN-UHFFFAOYSA-N 311.466 2.887 0 40 DFAB O=C(CN1CCCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8136474 UWNBZHSPSVXRDH-UHFFFAOYSA-N 320.698 2.920 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)NCCC(=O)N2CCCC2)c1 71885909 CTDBJOHVINGFNC-OAHLLOKOSA-N 317.433 2.676 0 40 DFAB O=C(CC1(O)CCCC1)N[C@@H](c1ccccc1)c1ccccn1 70037593 UZLTXRZRROPUMK-SFHVURJKSA-N 310.397 2.982 0 40 DFAB C[C@@H](OC(=O)c1cccc(N)c1)C(=O)N[C@H](C)c1ccccc1 71842148 ANFQBTVUOLYTKE-CHWSQXEVSA-N 312.369 2.692 0 40 DFAB Cc1ccc(NC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nn1 69924424 JQYHRCWXBYDTIB-CQSZACIVSA-N 300.406 2.544 0 40 DFAB C[C@H]1CCCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 69949000 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Cc1cc(C)n(-c2ccc(C(=O)Nc3nncs3)cc2F)n1 75137272 DSANOSGXCYAXJM-UHFFFAOYSA-N 317.349 2.732 0 40 DFAB Cc1ccccc1[C@@H](NC(=O)Cn1cc(C2CC2)nn1)C1CC1 89689153 ASJZRJHXBAMZCR-SFHVURJKSA-N 310.401 2.731 0 40 DFAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)NC1CC=CC1 89793084 WLOJEAZODQGPEG-UHFFFAOYSA-N 316.329 2.523 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2ccc(COC)cc2)[C@H](CC)C1 89948919 CXFHDWBDWYKHKH-QZTJIDSGSA-N 318.461 2.960 0 40 DFAB CC1CCN(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 89929948 UWAWJAWONHPXNT-CQSZACIVSA-N 313.405 2.770 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1occc1COc1ccccc1 89938283 ZRIBPXXOCFTFQP-AWEZNQCLSA-N 314.385 2.635 0 40 DFAB Cc1ncsc1C(=O)O[C@H](C)c1ccc(-n2cncn2)cc1 76910741 UQNORVXGAYIDLY-LLVKDONJSA-N 314.370 2.950 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)ccn1 79001808 YOWIRVMUXUISKI-HZPDHXFCSA-N 315.417 2.757 0 40 DFAB CC(C)[C@H]1CN(Cc2ccco2)CCN1C(=O)c1cscn1 72324113 HJIJFALWZBYQPG-OAHLLOKOSA-N 319.430 2.719 0 40 DFAB Cc1noc(C)c1CN(C)[C@H](C)c1nnnn1C1CCCCC1 188718844 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CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CNCc1ccccn1 195541611 VJMNNNJDUNTRJC-RYQLBKOJSA-N 316.445 2.541 0 40 DFAB COC(=O)C1CCN(C(=O)COc2ccccc2C(C)C)CC1 44865901 CTLNCWQTMIKRAI-UHFFFAOYSA-N 319.401 2.600 0 40 DFAB O=C(Nc1cccnc1)c1ccc(O[C@H]2CCSC2)nc1 225714325 RRDBZTCMOUSXJS-ZDUSSCGKSA-N 301.371 2.613 0 40 DFAB Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)c(N(C)C)c1 195550455 VBKPLGHABTZOSM-MRXNPFEDSA-N 319.449 2.508 0 40 DFAB CCn1c(C)nnc1CN[C@@H](C)c1noc(-c2ccccc2)n1 195561432 RQOBVUMCGGWNIC-NSHDSACASA-N 312.377 2.507 0 40 DFAB CO[C@@H](C(=O)NC[C@@H](O)c1ccccc1Cl)c1ccccc1 96420004 VCJJTDSJUKKAHC-HZPDHXFCSA-N 319.788 2.877 0 40 DFAB CCOCCC(=O)NC1(c2cccc(Br)c2)CC1 96418898 YEVXDVPEBBJUIT-UHFFFAOYSA-N 312.207 2.981 0 40 DFAB C[C@@H]1C[C@@H](N(C)Cc2nccn2C)CCN1Cc1ccccc1 96414934 NULWCOLXZRRKEF-AEFFLSMTSA-N 312.461 2.905 0 40 DFAB CC[C@H](NC(=O)c1ccc(C(=O)O)cc1)c1c(C)nn(C)c1C 237049099 VWDFYHBMJOJURU-AWEZNQCLSA-N 315.373 2.616 0 40 DFAB CCc1nc(=NCc2cccnc2N2CCCCC2)s[nH]1 583650568 KSEAXUWLMRNDCP-UHFFFAOYSA-N 303.435 2.520 0 40 DFAB Cc1noc([C@@H]2CCC3(CCN(Cc4nccs4)CC3)O2)n1 96215083 UOWHBPLPKOHFAZ-LBPRGKRZSA-N 320.418 2.721 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 95864630 VDNDIJUBNPXREI-LRIRSYNWSA-N 306.446 2.642 0 40 DFAB Cc1sc(Cl)nc1C(=O)NCc1ccc2c(c1)OCO2 96231387 RYRMEUSSLMOXFY-UHFFFAOYSA-N 310.762 2.764 0 40 DFAB CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1cc2cccc(F)c2o1 252505108 VOKKYNAZWYQOKC-ZJUUUORDSA-N 315.366 2.587 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257309388 UASKIMYYWXVPCT-CQSZACIVSA-N 306.369 2.896 0 40 DFAB CNc1ncccc1CN1CCN(C(C)=O)C[C@@H]1c1ccccc1 257202692 AMWXSZUQZFJCJE-GOSISDBHSA-N 324.428 2.529 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@H](c4[nH]ncc4C)C3)c2c1 257212510 CDSREDPPYVZDEN-LBPRGKRZSA-N 324.384 2.838 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)c2sccc2COC)no1 378504212 FBQOUKKUYWAKEA-NSHDSACASA-N 321.402 2.817 0 40 DFAB O=C(C1CCC1)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 575405341 SEEIZUAZBYXVNI-INIZCTEOSA-N 307.434 2.753 0 40 DFAB CO[C@H]1CCCN(C(=O)Cc2ccncc2)[C@H]1Cc1ccccc1 585279237 XXFZJACZBOYGSH-OALUTQOASA-N 324.424 2.873 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(Cl)cn2C)n1 70017249 FOODKNYUHJGBLT-CQSZACIVSA-N 320.824 2.797 0 40 DFAB CCCCNC(=O)C1CCN(Cc2csc(CC)n2)CC1 48055375 SEWJQUDZRAKBMC-UHFFFAOYSA-N 309.479 2.834 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1c(C)cccc1O 5375273 OBIDPXIYYYZTHF-MRXNPFEDSA-N 315.325 2.999 0 40 DFAB Cn1ccc(C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)n1 12228517 MIBOEYRWBZSFRS-HNNXBMFYSA-N 312.398 2.590 0 40 DFAB CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C)cc(C(=O)OCC)c1 12763070 SGRORVRNNPYXDZ-HZMBPMFUSA-N 319.357 2.635 0 40 DFAB Cc1cc2cc(CNCc3ccco3)c3nnnn3c2cc1C 13998119 KRMFYRIFIZLKPT-UHFFFAOYSA-N 307.357 2.777 0 40 DFAB O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc2ccccc2[nH]1 102238088 NUBMWSNTHYFSAV-TXEJJXNPSA-N 300.358 2.789 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 1848355488 ZBFCSWGCXDQVCB-CQSZACIVSA-N 301.365 2.806 0 40 DFAB O=C(CSc1cccc[n+]1[O-])Nc1nc2ccccc2s1 3266552 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102334275 WVCSEPXOAATOFI-WSKFYRRCSA-N 314.370 2.649 0 40 DFAB CC(C)(CNC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccccc1F 58379009 SJRCUXHVKMPGBE-UHFFFAOYSA-N 322.767 2.875 0 40 DFAB Cc1c([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cnn1C 58327298 HYZGFBZSAIYSNY-ONGXEEELSA-N 323.343 2.651 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1CCc2ccccc21)CC1(C)OCCO1 95412351 RMFKBDOIAUZEBB-XJKSGUPXSA-N 318.417 2.762 0 40 DFAB CCNC(=O)COc1ccc(NC(=O)c2sccc2C)cc1 29225718 CUQCOLYDEBPEPV-UHFFFAOYSA-N 318.398 2.824 0 40 DFAB COc1ccc(C)cc1C(=O)Cn1nnc(-c2ccccc2)n1 60272102 FCIXNKSPIOUNCI-UHFFFAOYSA-N 308.341 2.540 0 40 DFAB COc1ccccc1CN1CCC2(CCC(=O)N(C)C2)CC1 108524638 KNYRYHWYCZKVGP-UHFFFAOYSA-N 302.418 2.530 0 40 DFAB O=C(c1ccc(NC2CC2)nc1)N1CCC(n2cccc2)CC1 60450458 WWQDDHOVUPJKKE-UHFFFAOYSA-N 310.401 2.935 0 40 DFAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccnc2)on1 46896605 NZUHMUCPPYEIIQ-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB Nc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O 37383585 MPIOUSSQNKVFJO-UHFFFAOYSA-N 317.142 2.832 0 40 DFAB in-vitro Cn1c(N)nnc1SCc1c(Cl)ccc2cccnc12 48609876 OREYUUIOCLAIOM-UHFFFAOYSA-N 305.794 2.891 0 40 DFAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCCN(C)C 71326731 CCDJSQGABAQEDZ-UHFFFAOYSA-N 324.494 2.878 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccc(C)o2)c2c(C)nn(C)c2n1 39548418 IVJHLIOQAHFTPQ-UHFFFAOYSA-N 312.373 2.759 0 40 DFAB Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1 4499660 UPQCHNSBQUKNAY-MRXNPFEDSA-N 323.396 2.832 0 40 DFAB CCCNC(=O)COC(=O)CCCc1c[nH]c2ccccc12 5381873 LBDZOTBVLDIJKU-UHFFFAOYSA-N 302.374 2.560 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccn(Cc2ccncc2)n1 65621548 PXUPWPCWQHJMFK-UHFFFAOYSA-N 310.332 2.647 0 40 DFAB CC(=O)N1N=C(c2cccs2)C[C@]12C(=O)Nc1ccccc12 9340584 YRKFIWAKZHVSGX-INIZCTEOSA-N 311.366 2.552 0 40 DFAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccc3[nH]nnc3c2)c1 9366912 TYPLLOOJMDIAJQ-UHFFFAOYSA-N 324.384 2.726 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)c2cn3c(C)cccc3n2)c1 9366878 UIFXRBZDNOTGNE-UHFFFAOYSA-N 323.352 2.990 0 40 DFAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1C 6533291 PYLXXPPKDFDUBW-SNVBAGLBSA-N 302.403 2.621 0 40 DFAB Clc1snnc1CN1CC[C@H](CNc2ccccn2)C1 97200600 PSFBSMRFLHIZAL-SNVBAGLBSA-N 309.826 2.521 0 40 DFAB CCc1nc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)no1 66502235 GPIASAZFTUDGPF-CYBMUJFWSA-N 306.387 2.624 0 40 DFAB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccco1)c1cccs1 15182956 RHHODKNPFBXIRF-OAHLLOKOSA-N 320.414 2.975 0 40 DFAB C[C@@H]1CN(CCNCc2csc(C(C)(C)C)n2)C[C@@H](C)O1 67187098 LTYXQFJXOPSFLS-CHWSQXEVSA-N 311.495 2.639 0 40 DFAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCC1 15344356 GVMKKJXYVDZKGJ-UHFFFAOYSA-N 319.364 2.622 0 40 DFAB Cc1nnc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)s1 80584940 ICQCVKFLBBJANA-ZDUSSCGKSA-N 320.393 2.589 0 40 DFAB CCCC(=O)N1CCC[C@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 68032313 RSISJFKIBWJJLV-RRLIJXGGSA-N 318.461 2.815 0 40 DFAB O=C(Nc1ccc(Cl)cc1)C1(n2cnnn2)CCCCC1 72402522 IITASPOJKYRUOG-UHFFFAOYSA-N 305.769 2.625 0 40 DFAB O=C(CN1CCCCC1=O)Nc1ccccc1OC1CCCC1 97437458 GWLWATBPGHDQAI-UHFFFAOYSA-N 316.401 2.959 0 40 DFAB CC(C)(NC(=O)[C@@H]1C[C@@H]1c1cccnc1)C(=O)Nc1ccccc1 71888196 YDSZOHPOLWXHCN-HZPDHXFCSA-N 323.396 2.719 0 40 DFAB COc1ncccc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 71822643 GTMCUSKYHVADNX-AWEZNQCLSA-N 316.332 2.873 0 40 DFAB CN(c1ncnc2ccccc12)[C@@H]1CCCN(c2cccnn2)C1 70006647 JZUGVHNYCORLNC-CQSZACIVSA-N 320.400 2.525 0 40 DFAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 69457785 GICTWCUFVSPOMV-GFCCVEGCSA-N 324.371 2.733 0 40 DFAB Cc1cc2n(n1)C[C@H](CN[C@H]1CCOc3c(C)cccc31)CN2 69414301 TYLHNPBRWVZFCY-ZBFHGGJFSA-N 312.417 2.655 0 40 DFAB CO[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 69414288 ARUZHPWCMVWVNH-INIZCTEOSA-N 308.341 2.594 0 40 DFAB Cc1ccc(-n2cnnc2SCc2nc(C)no2)c(C)c1 69597095 JVKFWNNZUANXRU-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB CSc1ccc(CN(C)C(=O)c2ccc(C(N)=O)cc2)cc1 17972297 ZHPMQBLHICSNHJ-UHFFFAOYSA-N 314.410 2.780 0 40 DFAB COc1cccc(C2=CCN(CC(=O)N[C@H](C)C3CC3)CC2)c1 95389978 SFFGTDLSWJBXDU-CQSZACIVSA-N 314.429 2.699 0 40 DFAB CCCn1c(SCc2cc(-c3ccccc3)on2)n[nH]c1=O 8988320 QNNLTPCYLNRUFA-UHFFFAOYSA-N 316.386 2.929 0 40 DFAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 97001646 LXPFBARDKLPCTO-LBPRGKRZSA-N 300.358 2.885 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 97112724 GEBGLYXJQNSKEK-OWCLPIDISA-N 317.433 2.817 0 40 DFAB CCCCCS(=O)(=O)N[C@@H]1CCOC2(CCCCC2)C1 95939997 VAELCPYQYCTVSS-CQSZACIVSA-N 303.468 2.978 0 40 DFAB Cc1c(Cl)cccc1NCc1cnc(N2CCOCC2)nc1 89540334 ZKYCBSSFTKZGSD-UHFFFAOYSA-N 318.808 2.887 0 40 DFAB Cc1csc(NC(=O)[C@H](C)n2cc(Br)cn2)n1 28224450 GMUDYIIPFCWXOC-ZETCQYMHSA-N 315.196 2.610 0 40 DFAB CCONC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 39555228 KEHGGOADJQQLCJ-UHFFFAOYSA-N 316.386 2.531 0 40 DFAB O=C(C[C@H]1CCCO1)NCc1c(F)cccc1OC(F)F 73280986 NZNMJIQILPPICM-SECBINFHSA-N 303.280 2.612 0 40 DFAB CC[C@H](C(=O)Nc1cc(C)on1)n1ccc(C(F)(F)F)n1 79097231 SBVRKIWRCPFDKZ-MRVPVSSYSA-N 302.256 2.788 0 40 DFAB Cc1cc([C@@H](NC(=O)CCn2cncn2)C(C)C)c(C)s1 78918989 QVTAIRHMNWFDIF-HNNXBMFYSA-N 306.435 2.860 0 40 DFAB O=C(c1cnc(-c2ccccc2F)s1)N1CCCOCC1 75572872 VQRMWULLWNNBBS-UHFFFAOYSA-N 306.362 2.812 0 40 DFAB COc1cc(CCC(=O)Nc2cc(F)c(F)c(F)c2)on1 79489788 LDTSQYVXXOWBOJ-UHFFFAOYSA-N 300.236 2.672 0 40 DFAB CC(=O)Nc1cc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)ccc1C 565697291 LYYNMHZSYOVCHN-KRWDZBQOSA-N 320.389 2.573 0 40 DFAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2csnc2C)C1 192955692 WIVUYGQWOHQFJW-HNNXBMFYSA-N 310.419 2.503 0 40 DFAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCC 225070415 WVXWVGDNFIPPKO-HNNXBMFYSA-N 304.434 2.773 0 40 DFAB Cn1nccc1[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@H]2O)C1 530518746 VGSWDIZGQAUJPP-WTLGNFPFSA-N 311.429 2.694 0 40 DFAB COc1ccc(CN(C)C(=O)Cc2cccs2)cc1OC 49930996 BZQUTXOELPUHNB-UHFFFAOYSA-N 305.399 2.966 0 40 DFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NC(C)(C)C)cc1 225432953 KGKDHMORHYVNFS-JTQLQIEISA-N 318.373 2.932 0 40 DFAB biogenic,in-vitro CCOc1ccc(-c2nc(N)sc2CC(=O)O)cc1OCC 85397435 MOTQKDMRGDLQAW-UHFFFAOYSA-N 322.386 2.817 0 40 DFAB O=C([C@@H](O)Cc1ccccc1)N1CCCC[C@H]1c1nccs1 331723800 LHSJYHSEGXZSTR-GJZGRUSLSA-N 316.426 2.800 0 40 DFAB CC(=O)N1CCC(C(=O)OC[C@@H]2CCCc3ccccc32)CC1 96404086 SCVZLRJFMGXYDG-KRWDZBQOSA-N 315.413 2.908 0 40 DFAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc2[nH]cnc2n1 97374432 JAMDOLGLXRNWCX-LLVKDONJSA-N 310.357 2.800 0 40 DFAB C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cnn2ncccc12 582880070 TZMGNXHZOHXTOB-UKRRQHHQSA-N 306.369 2.748 0 40 DFAB Cc1cccc(C(C)(C)NC(=O)CCOC[C@@H]2CCCO2)c1 96412122 UEJUWXBWINPVKP-INIZCTEOSA-N 305.418 2.932 0 40 DFAB COCc1ccc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)cc1 96408362 LIQFPOIFFWBJOS-INIZCTEOSA-N 315.369 2.948 0 40 DFAB C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccn(C)n1 333153016 BZSNWJHMFHQLQS-CYBMUJFWSA-N 320.437 2.614 0 40 DFAB COC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccc3[nH]ccc3c2)O1 96186626 GWDXHOFCIZQXLB-PVAVHDDUSA-N 314.385 2.576 0 40 DFAB CO[C@H](CNC(=O)c1cc(C2CC2)on1)c1cccc(F)c1 96388298 LEFIXCOKIBAIFE-OAHLLOKOSA-N 304.321 2.809 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)N1CCC(c2cc[nH]n2)CC1 606624781 FIVBLKPRPQXLOJ-CYBMUJFWSA-N 316.405 2.913 0 40 DFAB CC(=O)N[C@@H]1C[C@H](c2ccc(C)cc2)OC2(CCOCC2)C1 257284399 PCNUBMBAESHXHI-IAGOWNOFSA-N 303.402 2.900 0 40 DFAB c1cnc2ncc(-c3cncc(C[C@@H]4CCCNCC4)c3)n2c1 257303175 SGBMKQHVMDITED-CQSZACIVSA-N 307.401 2.724 0 40 DFAB Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1F 26528029 UBQRTGXHKZIBKL-UHFFFAOYSA-N 314.360 2.802 0 40 DFAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(C1CCC1)CC2 585102678 ASEYJEHJWZKKHG-INIZCTEOSA-N 318.461 2.993 0 40 DFAB c1ccc(OCC[C@@H]2CCOC23CN(Cc2ccoc2)C3)nc1 585102653 DYQNRWHSXVKVQM-MRXNPFEDSA-N 314.385 2.735 0 40 DFAB NCc1cc2ccc(I)cc2nc1Cl 685937391 SKSZCMHRBWPYOJ-UHFFFAOYSA-N 318.545 2.952 0 40 DFAB CCc1nc(CN2CCN([C@H](C)c3cccnc3)CC2)cs1 71915644 FKHGBQCLDGQUGO-CQSZACIVSA-N 316.474 2.979 0 40 DFAB Cc1nc2ccccc2nc1CN1C(=O)c2ccccc2C1=O 36879652 DCAKAUOCVBJHSO-UHFFFAOYSA-N 303.321 2.734 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)[C@H](C)CO1 44487414 YXXJKJZZSHOUFY-NEPJUHHUSA-N 319.792 2.775 0 40 DFAB COC(=O)[C@H](C)NC(=O)CCc1cccc(Cl)c1Cl 56213973 ATZJSVVYYNHMCY-QMMMGPOBSA-N 304.173 2.604 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)N2CCn3cccc3[C@@H]2C)C12CCC2 74605390 SAFSZRMCEVPCDH-CWRNSKLLSA-N 317.433 2.922 0 40 DFAB CC[C@@H](NC(=O)N[C@@H](C)Cn1nc(C)cc1C)c1nccs1 76018555 LTSVAXGDOXFZSP-WCQYABFASA-N 321.450 2.795 0 40 DFAB C[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccc(F)c1 84697771 GGUTYPOCOGHZGK-SCLBCKFNSA-N 318.392 2.748 0 40 DFAB O=C(NC1CCOCC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 84392809 NVJHHXYMHSQMJV-CVEARBPZSA-N 322.380 2.524 0 40 DFAB C[C@H]1[C@@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C 5464508 MOSYSGPJTJMMDV-SZMVWBNQSA-N 318.461 2.763 0 40 DFAB COc1cc(OC)cc(OCC(=O)Nc2cccc(F)c2)c1 5497286 VBMVFYSOYFBNBQ-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 12543985 SNZFVAHJCPOZMY-INIZCTEOSA-N 323.396 2.686 0 40 DFAB Cc1nc(SCC(C)C)[nH]c(=O)c1CC(=O)OCC(C)C 13464835 CGEXZLGPTDYWOZ-UHFFFAOYSA-N 312.435 2.568 0 40 DFAB CCN1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1 15880158 WUOAHSVKJCCDTA-UHFFFAOYSA-N 305.378 2.913 0 40 DFAB CCCCN1C(=O)S[C@@H](Nc2ccc(C(=O)O)cc2)C1=O 16740545 UXPOHLOMIOEMSH-LLVKDONJSA-N 308.359 2.618 0 40 DFAB FC(F)(F)c1ccc(NC(=S)NCCc2c[nH]cn2)cc1 17052674 UHTJGCDRFZLPCF-UHFFFAOYSA-N 314.336 2.958 0 40 DFAB Cc1nc2sc3c(c2c2nnc(S)n12)CC(C)(C)OC3 18284989 MOKPLXNQKUOUKN-UHFFFAOYSA-N 306.416 2.787 0 40 DFAB O=C1CCCN1CC(=O)N1CCC[C@@H]1CCCc1ccccc1 156322495 JVTDMXOVUNTYBY-KRWDZBQOSA-N 314.429 2.623 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3ncccc3C)C2)cc1 643914307 OGPPKYULMPCJBP-LJQANCHMSA-N 312.413 2.714 0 40 DFAB COC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cc(F)cc(F)c1 953033614 GJMPJAJZVUIPFH-HNNXBMFYSA-N 315.316 2.878 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2OC)c1 3192499 MEYNLPQFSDKAAL-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB in-vivo CCCCCOc1ccc(NC(=O)C(=O)NCC(C)C)cc1 3668180 PKXBKQTUGZKKHU-UHFFFAOYSA-N 306.406 2.966 0 40 DFAB O[C@@]1(CNc2ncnc3ccsc23)CCOc2ccccc21 1775972447 GULLPNCZTWQLMZ-MRXNPFEDSA-N 313.382 2.774 0 40 DFAB Cc1csc2c(N3CC(COc4cccnc4)C3)ncnc12 2298215350 JKZNEWROVFANSV-UHFFFAOYSA-N 312.398 2.910 0 40 DFAB CC(C)(C)c1noc(CCC(=O)NCc2cc(F)cc(F)c2)n1 31288440 KYYNCMUKINMDJZ-UHFFFAOYSA-N 323.343 2.894 0 40 DFAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NC 40476286 UQEDDYQKVWYROL-UHFFFAOYSA-N 308.769 2.941 0 40 DFAB CCCc1nc(CN2CCN(Cc3cc(C)on3)CC2)cs1 40493355 XYASXPYPBWPCBN-UHFFFAOYSA-N 320.462 2.710 0 40 DFAB CCOc1ccc2c(c1)C=C(C(=O)NCc1ccccn1)CO2 40540068 BZJUUZHEMPZIIY-UHFFFAOYSA-N 310.353 2.573 0 40 DFAB Cc1ccc(C)c(OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1C 32963797 SOEXTZURWLXAGY-DYVFJYSZSA-N 319.426 2.971 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)NCCC(=O)Nc2ccccn2)C1(C)C 52969139 DFPACSAVIAYNAB-XJKSGUPXSA-N 315.417 2.765 0 40 DFAB Cc1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)no1 33226047 PQBWJDVXTLXCPN-UHFFFAOYSA-N 320.780 2.887 0 40 DFAB CCC1=NN(C(=O)c2cccc(F)c2)[C@@](O)(C(F)(F)F)C1 527337 RQZWDQIAGPNXEK-LBPRGKRZSA-N 304.243 2.689 0 40 DFAB Cn1cc(CNC(=O)c2cccnc2Sc2ccccc2)cn1 54288824 VIGTXXCIRWTKCP-UHFFFAOYSA-N 324.409 2.896 0 40 DFAB O=C(NCc1ccco1)c1cccc(C(=O)NCc2ccco2)c1 183029 HAWCEPIYINSJTA-UHFFFAOYSA-N 324.336 2.733 0 40 DFAB COc1cccc(C(=O)Nc2nnc(-c3cccnc3)s2)c1 1356165 WQGNZEMBCZJQIM-UHFFFAOYSA-N 312.354 2.861 0 40 DFAB O=C(OC1CCCCC1)[C@H]1CCCCN1C(=O)c1cccnc1 78876889 ZGVQSRGLQKHIQQ-MRXNPFEDSA-N 316.401 2.952 0 40 DFAB CC(=O)OCC[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C1=O 1758310 NTBJGUXGJVRBNO-MLGOLLRUSA-N 312.369 2.567 0 40 DFAB CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(OC)c(O)c2)C1 79020737 NEUKBXIJKMZFDG-QTCYRWPVSA-N 311.447 2.570 0 40 DFAB Cc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)o1 79018371 YGPFLADOTFGXLK-OLZOCXBDSA-N 324.446 2.572 0 40 DFAB O=C(NC[C@@H]1CCCO1)N[C@H]1CCCOc2ccc(F)cc21 54540275 OGKPFBLDDSGTII-JSGCOSHPSA-N 308.353 2.518 0 40 DFAB Fc1ccc(-n2cc(CN[C@H]3CCCc4cn[nH]c43)cn2)cc1 95967398 VUYWHMCUVNQGGW-INIZCTEOSA-N 311.364 2.902 0 40 DFAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccs1 6688132 CAACQCBLBWNQGY-VTWZXRTESA-N 309.387 2.580 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1nn(C)c(=O)c2ccccc12 6881830 HDUMVDLHZDYXMQ-UHFFFAOYSA-N 311.316 2.633 0 40 DFAB CC(C)CNC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162236 LXZXPQKMBINSPO-UHFFFAOYSA-N 318.398 2.739 0 40 DFAB COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@@H]1c1cc3ccccc3cc12 100604290 RRCFMWLKXOAGCC-HZPDHXFCSA-N 310.305 2.608 0 40 DFAB CCc1cc(=O)[nH]c(SCc2nc(-c3ccccc3)no2)n1 8599134 CZEYXKZLJXWGBH-UHFFFAOYSA-N 314.370 2.675 0 40 DFAB c1cn([C@H]2CO[C@]3(CCCN(Cc4ccsc4)C3)C2)cn1 107731355 HSTSFANUTXQSLQ-HZPDHXFCSA-N 303.431 2.941 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1c1ccsc1 57017045 APYLRAOSYFCMMC-JSGCOSHPSA-N 321.446 2.606 0 40 DFAB O=C(O)[C@H]1CCCN1c1ncnc2sc3c(c12)CCCC3 57630946 OHAROILTPACKME-SNVBAGLBSA-N 303.387 2.624 0 40 DFAB Cc1cc(C)nc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1 100670800 NTHRVHJGNFVTEG-UHFFFAOYSA-N 323.352 2.508 0 40 DFAB COc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12625989 KMIZSDMENLZZLT-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)c1 101362506 VHXZSYWVJJPRGM-OTRWWLKZSA-N 309.365 2.953 0 40 DFAB Cc1cc(CN(C)C(=O)NCCO[C@@H]2CCCC[C@H]2C)no1 44970396 JFPKUOSTUKZMDR-IUODEOHRSA-N 309.410 2.720 0 40 DFAB COc1ccc2nc(C(=O)NCc3ccc(OC)nc3)ccc2c1 10991808 VFEDRSJAGGHXKI-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB COC(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1 11293314 UERUZYHKSAZQST-MRVPVSSYSA-N 301.437 2.936 0 40 DFAB C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(C)C 45856575 CTHUJGSHVHXBTF-SNVBAGLBSA-N 320.776 2.807 0 40 DFAB O=C(Cn1ccnc1)N[C@@H](c1ccc(F)cc1)c1cccs1 29594400 UPJPKKCIBGIFLU-INIZCTEOSA-N 315.373 2.990 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(Br)c[nH]1 37985828 BOFPTBIYXBAXLN-NSHDSACASA-N 321.174 2.511 0 40 DFAB BrC1(Br)CC12C1[C@H]3C4C5[C@H]1[C@@H]5C2[C@H]43 104289201 SAJYWOSOSGXRGO-OXYBFIKUSA-N 302.009 2.860 0 40 DFAB CC(=O)c1cccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)c1 2660990 NKRIZTBRNBYVAZ-INIZCTEOSA-N 308.337 2.633 0 40 DFAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccccn2)no1 12389006 CDCRSOJEFULGMN-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB CC1(C)COC2(CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)OC1 110574380 RBBMFNUYYFVJMI-KKUMJFAQSA-N 307.434 2.814 0 40 DFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)C1 12996542 MOPLSRGQVGPENY-ZNMIVQPWSA-N 310.463 2.902 0 40 DFAB O=C(C[C@H]1C=CCC1)NCc1ccc(C(=O)N2CCCC2)cc1 12942286 DHYULJJRTUANBX-HNNXBMFYSA-N 312.413 2.895 0 40 DFAB O=C(OCc1nc(-c2ccccc2)no1)c1n[nH]c2ccccc12 6371005 IFSHJHXVTJEXIT-UHFFFAOYSA-N 320.308 2.970 0 40 DFAB CCCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 65595914 TXFFWDUEHIJDKE-MSOLQXFVSA-N 316.445 2.622 0 40 DFAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@H](C)OC(C)(C)C2)c1 65541401 ZTDQLIMJKBCITB-JSGCOSHPSA-N 319.401 2.682 0 40 DFAB Cc1ccoc1C(=O)N1CCN(c2ccncc2Cl)CC1 95437782 TYJWFEXBGSZCJO-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB COc1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 4510856 LMGQXVPAKSXSBK-SFHVURJKSA-N 311.337 2.806 0 40 DFAB aggregator CN(C)C(=O)[C@@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 6649812 BKLRXQOJSIRKKN-INIZCTEOSA-N 323.352 2.549 0 40 DFAB Cc1noc([C@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)n1 96409860 YJHYCWNBQJEKGJ-JQWIXIFHSA-N 301.346 2.512 0 40 DFAB COc1cccc(CN(C)CC(=O)N[C@H]2CCCC[C@H]2C)c1 7458423 DIAJBGWGNQLBKT-PBHICJAKSA-N 304.434 2.822 0 40 DFAB CCn1cnnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7995107 NGTSZHRLLKSQBR-LLVKDONJSA-N 320.418 2.809 0 40 DFAB COc1ccccc1CC(=O)N1CCN(C)c2ccccc2C1 68865126 OTBQFACEHKHLCP-UHFFFAOYSA-N 310.397 2.716 0 40 DFAB COc1ccc2c(c1)OCC(CN[C@@H](C)[C@@H](C)n1cccn1)=C2 69368807 OHLUGLVSRXTKTO-UONOGXRCSA-N 313.401 2.907 0 40 DFAB CCO[C@H](C)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 69350293 WJGARTHFEDNFHS-CQSZACIVSA-N 305.418 2.901 0 40 DFAB CCSCc1ccnc(NC(=O)NCc2cnn(C)c2C)c1 96502473 DOJSBDLMHCMFRR-UHFFFAOYSA-N 319.434 2.698 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCc2nc(-c3ccoc3)no2)c1 69464841 ZPVHNLGFUWVVPV-VXGBXAGGSA-N 301.350 2.574 0 40 DFAB Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCOc3c(C)cccc31)CN2 69414306 TYLHNPBRWVZFCY-GOEBONIOSA-N 312.417 2.655 0 40 DFAB O=C(NCc1cc[nH]c(=O)c1)c1cc(F)c(Cl)cc1Cl 69456662 AJHFAMMXEKWQDZ-UHFFFAOYSA-N 315.131 2.751 0 40 DFAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cnc[nH]1 69485321 DBMCCNHSXNLJFU-UHFFFAOYSA-N 320.324 2.988 0 40 DFAB COC(=O)c1ccc([C@@H](C)N2CC[C@H](Oc3cccnc3)C2)o1 91594718 ZCWLQKVBGUEQCQ-OCCSQVGLSA-N 316.357 2.676 0 40 DFAB O=C(CNc1ccccc1NC(=O)c1cccs1)NC1CC1 69594650 ZAMJQTUIYOQENU-UHFFFAOYSA-N 315.398 2.691 0 40 DFAB O=C(Nc1ccc[nH]c1=O)c1csc(-c2ccsc2)n1 69528615 AVKOSGVSQJMMJC-UHFFFAOYSA-N 303.368 2.812 0 40 DFAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(C)on1 69584894 GDQMIEMTAAOHMQ-AWEZNQCLSA-N 300.358 2.839 0 40 DFAB Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1nncn1C 69654678 NAKIOLCZZJUUTC-ZDUSSCGKSA-N 315.421 2.505 0 40 DFAB COc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1 9602385 HJBFTLYFZRLULZ-UHFFFAOYSA-N 323.396 2.630 0 40 DFAB COc1ccccc1Nc1ncccc1C(=O)NCc1ccon1 83982638 MPLDAXQQLZBPOZ-UHFFFAOYSA-N 324.340 2.752 0 40 DFAB Cc1noc(C)c1C[S@](=O)Cc1cn2cccc(C)c2n1 83944093 OQVWCYBDTTYKAQ-NRFANRHFSA-N 303.387 2.696 0 40 DFAB Cc1ccc(-c2cc(CN[C@H]3CCc4nc(C)nn4C3)on2)cc1 69969382 IWRKYZONOFYPIM-HNNXBMFYSA-N 323.400 2.655 0 40 DFAB CCSc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cn1 95975235 SXGZQQADOZRHAL-NSHDSACASA-N 317.418 2.596 0 40 DFAB Cc1ccc(OCC(=O)NCc2ccco2)c2c1[C@H](C)CC2=O 9723750 GIRAWDUNMKAVPC-GFCCVEGCSA-N 313.353 2.973 0 40 DFAB O=C(CCSc1ccccn1)NC[C@@H](O)c1ccccc1F 97016041 RJMDWHHDIBCGNL-CQSZACIVSA-N 320.389 2.553 0 40 DFAB C[C@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CCc2ccccc21 95981682 KTNFRIUELWSIDJ-QRWLVFNGSA-N 324.424 2.827 0 40 DFAB CO[C@@H]1CCCN(C(=O)[C@H](C)n2ccnc2-c2ccccc2)C1 95981261 SNAGDJXVBAZBKU-GOEBONIOSA-N 313.401 2.749 0 40 DFAB CC[C@@H](NC(=O)NCc1c(C)n[nH]c1C)c1c(C)noc1C 95975537 SGTYCNMYHZQHGZ-CYBMUJFWSA-N 305.382 2.582 0 40 DFAB CC(=O)Nc1nc(CN2CCCC[C@H]2c2ncc[nH]2)cs1 89265673 AMUZFJRTKCHVIW-LBPRGKRZSA-N 305.407 2.552 0 40 DFAB CN1C[C@H](NCc2cc(Cl)cc3cccnc23)CCC1=O 89374919 RMBRNUUHSKZHCY-CQSZACIVSA-N 303.793 2.599 0 40 DFAB NC(=O)[C@H]1c2ccccc2CCN1Cc1ccc2ccccc2n1 75142485 JITNHEKRHUDEGE-LJQANCHMSA-N 317.392 2.820 0 40 DFAB CC[C@@H](O)CCNC(=O)COc1ccc(Cl)cc1Cl 89943270 ZARUYKITPGCOAJ-SNVBAGLBSA-N 306.189 2.649 0 40 DFAB Cc1cn2nc(N3CCC[C@@H]3c3noc(C(C)C)n3)sc2n1 75573012 USZAYKFSEIWGFF-SNVBAGLBSA-N 318.406 2.947 0 40 DFAB Cc1nc[nH]c1[C@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 76065182 HYPXVLOKSKTSRP-KRWDZBQOSA-N 319.368 2.880 0 40 DFAB FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3)n2)cc1 67898704 SAKWYUWPLUPFBK-LBPRGKRZSA-N 313.279 2.636 0 40 DFAB biogenic,in-vitro CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 35312323 CKIHPJZYPAMHPE-UHFFFAOYSA-N 315.398 2.986 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 67976262 YEGTXFCGFRTJOO-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB CC[C@@H](CNC(=O)Cc1cc(C)no1)Oc1cccc(F)c1 517253226 QSONLUDXBZZOSR-ZDUSSCGKSA-N 306.337 2.638 0 40 DFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2C)o1 408564587 ZTXPFFGPJCYOFM-UHFFFAOYSA-N 306.749 2.918 0 40 DFAB CC[C@H](C)NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 79297830 RBUSVNDBEVWMFW-LBPRGKRZSA-N 319.405 2.851 0 40 DFAB Cc1cc(C(=O)Nc2ccc(Cl)nn2)nn1-c1ccccc1 79040283 UVTFIRQPIAAFAV-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCC3)CCC(=O)N2C)cc1 72238281 FIJUEURURYVCKF-WBVHZDCISA-N 300.402 2.527 0 40 DFAB Cc1cc(N)c(Br)c(I)c1 216843389 SRXCCOXBVDALDP-UHFFFAOYSA-N 311.948 2.944 0 40 DFAB O=C(O)CSC[C@H]1CCCN1C(=O)OCc1ccccc1 79392111 MUJQPECFMXFDHZ-CYBMUJFWSA-N 309.387 2.605 0 40 DFAB CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2COC)C1 77916042 UDCWFVVCBZROKK-DZGCQCFKSA-N 318.417 2.857 0 40 DFAB CC[C@@H](C(=O)NCc1cc(C)nc(N(C)C)n1)c1ccccc1 190665837 SAEHATFQEPOQMR-MRXNPFEDSA-N 312.417 2.661 0 40 DFAB CCOC(=O)c1csc([C@H]2CCCN2c2cc(C)ncn2)n1 195579879 VXAXWDISFPIDFP-GFCCVEGCSA-N 318.402 2.760 0 40 DFAB O=C1OC[C@@H]2CCN(C3CCOCC3)Cc3ccc(F)cc3N12 225484716 XUFJKXIJHKJTMQ-HNNXBMFYSA-N 320.364 2.536 0 40 DFAB biogenic,in-vitro CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC 223769233 ARJQJNJRDGMVTF-LBPRGKRZSA-N 310.825 2.993 0 40 DFAB CCOCSc1ncnc2c1cnn2Cc1ccccc1 225583703 ZONJVWOHDOOJSR-UHFFFAOYSA-N 300.387 2.961 0 40 DFAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@H]1COCCN1 88358924 YGTQQEQGLCDZIU-OAHLLOKOSA-N 306.431 2.648 0 40 DFAB Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1 577411563 LJGUJTZBCKKWQB-UHFFFAOYSA-N 301.346 2.897 0 40 DFAB O=C(c1ccco1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039812 CIZWLHNTTZUYMW-SJLPKXTDSA-N 319.401 2.718 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCC(C)CC2)C1 96193104 ANFBFUWIFCSUHC-SFHVURJKSA-N 316.401 2.837 0 40 DFAB CC[C@H]1C[C@@H](C(=O)N(C)c2cccnc2N2CCCC2)CCO1 97235986 VGENRHHYZSPZEC-GJZGRUSLSA-N 317.433 2.850 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)c(C)s1)CC2 96420920 VCSZLKVSGNUDBO-LSDHHAIUSA-N 323.458 2.757 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)s1 96502091 OKZUQKSNADAUFJ-CYBMUJFWSA-N 324.446 2.741 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)n1 257342036 ZMVAONKSEAMSCN-AWEZNQCLSA-N 315.421 2.627 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257335720 YLNQZINDYOFVNU-OAHLLOKOSA-N 323.444 2.995 0 40 DFAB CCN(C)[C@@H]1CN(C(=O)Cc2ccccn2)C2(CCCCC2)C1 257246665 IVEFYXWNCWFJFB-KRWDZBQOSA-N 315.461 2.880 0 40 DFAB CCN(CC)C[C@H]1CN(C(=O)CCC(C)C)Cc2ccnn21 585095129 ATMKEQXXBUDQKW-INIZCTEOSA-N 306.454 2.544 0 40 DFAB Cc1nccc([C@@H]2CCCN(c3ccc4nccnc4n3)C2)n1 584906851 KJOHSJLMUHFCLP-CYBMUJFWSA-N 306.373 2.507 0 40 DFAB C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57988376 KPDUKCAUUKJGRK-WCQYABFASA-N 315.339 2.683 0 40 DFAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)/C=C/c3ccco3)c2)n1 76090661 NOPMASHORKTBSR-BQYQJAHWSA-N 322.320 2.957 0 40 DFAB O=C(NCc1ccco1)NC[C@@H](c1ccco1)N1CCCC1 40474200 RQUYCRRSYCDSTC-AWEZNQCLSA-N 303.362 2.509 0 40 DFAB Oc1ccc(N(CCc2ccccc2)CCn2cncn2)cc1 84088412 DPBLKRRBWZOYBS-UHFFFAOYSA-N 308.385 2.733 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1coc2ccccc12 97379500 ZHAGUXBDIDEGOU-INIZCTEOSA-N 310.353 2.985 0 40 DFAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc2ccccc2s1 106531900 VRVHZBDQJZZYHE-WXHSDQCUSA-N 301.415 2.919 0 40 DFAB c1ccc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cc1 641304831 HEXIFMYOSJGPKE-HOTGVXAUSA-N 306.413 2.927 0 40 DFAB Cc1cccc2cc(-c3noc(-c4ccncc4)n3)c(=O)[nH]c12 5818590 XPRYKSDSHXSWNR-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB O=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)[nH]c1=O 19937218 WOPHBJCHPQDBDQ-UHFFFAOYSA-N 309.300 2.828 0 40 DFAB COc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937247 FICUXBBXNNNKEH-UHFFFAOYSA-N 321.336 2.698 0 40 DFAB Cc1nc2c(c(N3CCCC3)n1)CN(Cc1ccccc1)CC2 19286204 HTHCZLAVBGDTFV-UHFFFAOYSA-N 308.429 2.944 0 40 DFAB Cc1csc2c(N[C@H]3CCN(C4CCOCC4)C3)ncnc12 1889077190 CQKSKNVOIHYOCW-LBPRGKRZSA-N 318.446 2.665 0 40 DFAB CCS(=O)(=O)N1CCN=C1SCc1ccccc1Cl 2711596 UCZRGNJTKOTQIS-UHFFFAOYSA-N 318.851 2.595 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(OC)cc2)n1 11443572 KABFSIRMUUQFJD-UHFFFAOYSA-N 318.398 2.706 0 40 DFAB COc1ccc(NC(=O)CSCc2ccc(C(=O)O)o2)cc1 20375577 MPQSFMWHBBFZIW-UHFFFAOYSA-N 321.354 2.858 0 40 DFAB NC(=O)c1cccc2c1CCCN2C(=O)CCc1ccsc1 40548669 HTBHLZYZSVTSRL-UHFFFAOYSA-N 314.410 2.759 0 40 DFAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCCO1 40535182 OSCYOHLGSOUPQW-ZWNOBZJWSA-N 312.207 2.675 0 40 DFAB COc1ccc(CC(=O)N2CCc3sccc3C2)c(OC)c1 21627665 WYYNSILYOMMZSU-UHFFFAOYSA-N 317.410 2.893 0 40 DFAB CNC(=O)Nc1ccc(NC(=O)Cc2ccccc2OC)cc1 32903275 ONABAKKMXRALEE-UHFFFAOYSA-N 313.357 2.628 0 40 DFAB COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)OCO3)c1 41450259 NVSMCRQWPPQPND-UHFFFAOYSA-N 314.297 2.846 0 40 DFAB CC(C)c1ccc(OCCNC(=O)[C@H](C)n2ccnc2)cc1 53577251 MKRKAMHPPHRMMF-AWEZNQCLSA-N 301.390 2.763 0 40 DFAB CC(C)C(=O)NCCNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 22988432 OXWQZPCNFXNCSW-OAHLLOKOSA-N 324.852 2.968 0 40 DFAB Cc1ccc([C@](O)(CCNC(=O)C2CCC2)C(F)(F)F)o1 47473910 KFKNPVKIEKINRJ-CYBMUJFWSA-N 305.296 2.644 0 40 DFAB Cc1ccn2cc(C(=O)Nc3nnc(C(C)C)s3)nc2c1 12530665 BOAJGAMCKAMFOA-UHFFFAOYSA-N 301.375 2.870 0 40 DFAB CCc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1 806813 QRVCHKMJYGAIFM-HNNXBMFYSA-N 323.396 2.944 0 40 DFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 3253246 CQUXIFDABKLKKI-UHFFFAOYSA-N 320.776 2.777 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C1CCCCCC1)CC2 89986324 WFUPIGYCLOFZOK-JKSUJKDBSA-N 309.450 2.735 0 40 DFAB CCCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 4433259 RZEPISPPAAIMPU-UHFFFAOYSA-N 303.362 2.594 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 106095038 VQXXXGRHZSZBEY-ZETCQYMHSA-N 307.293 2.861 0 40 DFAB CCc1cccc2c(C(=O)COC(=O)C3CCOCC3)c[nH]c12 24935482 SQIHTXYKEHOJMM-UHFFFAOYSA-N 315.369 2.883 0 40 DFAB CSC1=Nc2sc3c(c2C2=NCCN12)CC(C)(C)N(C)C3 24984044 JETCOWBSGCGFGZ-UHFFFAOYSA-N 320.487 2.941 0 40 DFAB Cc1cccc(Oc2ncccc2NC(=O)NCCO)c1C 56780201 NTVOXOMIROOPLA-UHFFFAOYSA-N 301.346 2.605 0 40 DFAB Cc1cn2nc(N[C@H]3CCN(C)[C@H]3c3ccccc3)sc2n1 107539169 FQMLNVSTJRJGKF-KBPBESRZSA-N 313.430 2.957 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1c1ccsc1 48252441 SCZQBVQAWBBUIQ-YPMHNXCESA-N 318.398 2.823 0 40 DFAB O[C@@H](Cn1ccnc1-c1cnccn1)c1cccc(Cl)c1 95438696 NKEKSJNGMKNKPW-AWEZNQCLSA-N 300.749 2.727 0 40 DFAB Cc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)no1 44891797 UZHCMCKCESRXOR-CYBMUJFWSA-N 306.341 2.547 0 40 DFAB COc1ccccc1OCCNC(=O)c1sc(C)nc1C 44866506 ZHOURYPYEULZJM-UHFFFAOYSA-N 306.387 2.577 0 40 DFAB COc1ccc(OCCNC(=O)c2sc(C)nc2C)cc1 44872734 UKWJTFORCJFBAK-UHFFFAOYSA-N 306.387 2.577 0 40 DFAB COc1ccc(OCc2noc(CN3CCC[C@H](C)C3)n2)cc1 44893135 OLJUCDHVCNBYBD-ZDUSSCGKSA-N 317.389 2.889 0 40 DFAB CCN(Cc1ccc(C(=O)Nc2cnn(C)c2)cc1)C(C)C 58277699 SGEJBMRLTPSGJZ-UHFFFAOYSA-N 300.406 2.903 0 40 DFAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2F)C[C@@H](C)O1 58216034 LMZXRVNJDLHLQK-ZNMIVQPWSA-N 320.408 2.540 0 40 DFAB O=c1n(Cc2ccc(SC(F)F)cc2)nc2ccccn12 58292737 OMQXCBPUBFHIKL-UHFFFAOYSA-N 307.325 2.859 0 40 DFAB C/C=C/C=C/C(=O)NC1CCN(Cc2ccccc2OC)CC1 58268584 HRXXETJGBNYHBK-COBAKMAKSA-N 314.429 2.908 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1c(C)noc1C 44914396 TWUJSYLPLSIJPT-UHFFFAOYSA-N 312.366 2.560 0 40 DFAB CN(C)c1cccc(CNC(=O)CCc2nc3ccccc3[nH]2)c1 58355622 ONZMXAIOWLGWJW-UHFFFAOYSA-N 322.412 2.878 0 40 DFAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 100750301 VFTUAQFKYAPTTO-RVKKMQEKSA-N 324.428 2.713 0 40 DFAB c1coc([C@@H](CNCc2cnc3ccccn23)N2CCCC2)c1 75572688 RFLYMLPVACZTDB-MRXNPFEDSA-N 310.401 2.854 0 40 DFAB CCN(CC)CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 58434724 DVGOAUAZQREFKU-UHFFFAOYSA-N 318.396 2.925 0 40 DFAB CC(C)[C@H](NC(=O)NCCCn1cccn1)c1ccccc1 45149923 OSYKNWGMAOATKV-INIZCTEOSA-N 300.406 2.970 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@H]1CCCO1 75602334 YZLQWMJXDZJZRJ-VXGBXAGGSA-N 311.813 2.615 0 40 DFAB O=C(c1ccc(F)cc1)n1c(S)nc2ccccc2c1=O 103650475 REDFIOSMOMNDLC-UHFFFAOYSA-N 300.314 2.513 0 40 DFAB COc1ccc([C@H]2C=C(c3cccs3)Nc3nnnn32)cc1 100779551 KZDKGCIZUZRVHM-CYBMUJFWSA-N 311.370 2.799 0 40 DFAB O=C(c1cccnc1Cl)N1CCN(c2ccc(F)cc2)CC1 2747116 AYWHVLOELOYDGT-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB CCn1nc(C)c(CN(C)C(=O)Cc2ccc(F)cc2)c1C 27929481 UDKGFTSTTCIGCX-UHFFFAOYSA-N 303.381 2.860 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2cccs2)cc1F 6230463 IOEBLZDKRDUTER-UHFFFAOYSA-N 315.391 2.717 0 40 DFAB O=c1[nH]c2ccccc2nc1[C@@H](c1ccccc1)[n+]1ccccc1 5219641 YGPRCVHNUFBKKF-LJQANCHMSA-O 314.368 2.848 0 40 DFAB O=C(c1nnn(-c2ccccc2)c1C(F)(F)F)N1CCCCC1 65576491 KHUQVDODIICBAY-UHFFFAOYSA-N 324.306 2.912 0 40 DFAB CCCCCNC[C@@H](O)COc1ccc(CCC(C)=O)cc1 6552510 FNAWTICLOINTMW-QGZVFWFLSA-N 307.434 2.728 0 40 DFAB Cn1cnnc1[C@@H]1CCCN1Cc1c[nH]nc1-c1cccs1 93809823 IRSXWHBDGBSEQI-LBPRGKRZSA-N 314.418 2.604 0 40 DFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 5559980 LGHJBKMUFMSAQP-HNNXBMFYSA-N 324.380 2.682 0 40 DFAB CCC(=O)c1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1 6988396 RLEMHSGIMBDKIK-UHFFFAOYSA-N 315.373 2.647 0 40 DFAB CN(C)CCCOC1CCN(C(=O)Nc2ccsc2)CC1 96496519 RJQYKKVDOHJZEP-UHFFFAOYSA-N 311.451 2.713 0 40 DFAB COc1cc(CNC(=O)C2CCCCC2)cc(OC)c1OC 8062659 UNCOJEMGSPBXRZ-UHFFFAOYSA-N 307.390 2.909 0 40 DFAB O=C(O)CCSCC(=O)Nc1cccc(C(F)(F)F)c1 16740001 ZBGISPXNUJGMRF-UHFFFAOYSA-N 307.293 2.852 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CCC(C2OCCO2)CC1 69230253 KNXIMHBFRWUKQY-UHFFFAOYSA-N 310.781 2.957 0 40 DFAB C[C@](O)(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccco1 81835465 SFAUTDASTUVOMX-HNNXBMFYSA-N 318.354 2.721 0 40 DFAB CCn1c(S[C@H]2C[C@H](C)OC2=O)nnc1-c1ccccc1 8392616 REYBGBYLZLRUSZ-JQWIXIFHSA-N 303.387 2.761 0 40 DFAB O=C(CCCN1CCOC1=O)N[C@@H]1CCCCc2ccccc21 69441838 ORHGVKVFYJBSHA-MRXNPFEDSA-N 316.401 2.803 0 40 DFAB c1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)nc1 69530572 AOOHLQMWSCBNJT-UHFFFAOYSA-N 321.384 2.906 0 40 DFAB CN(Cc1nc2ccccc2o1)[C@H]1CCCN(c2cccnn2)C1 69877755 LLKNVZXWFKXYSY-AWEZNQCLSA-N 323.400 2.719 0 40 DFAB Cc1nc2cc(C(=O)N(CCO)c3ccccc3)ccc2n1C 408732780 YWOIMDYPEXWKFE-UHFFFAOYSA-N 309.369 2.521 0 40 DFAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc[n+]([O-])c1 9053925 GZQGAUBBLTVWQL-UHFFFAOYSA-N 311.168 2.599 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1Cl 97084167 YVUPBVMQWLDNDT-NSHDSACASA-N 310.781 2.779 0 40 DFAB CCn1c(C)cc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)c1C 97035831 VIGJUPCECYLNEG-UHFFFAOYSA-N 318.373 2.997 0 40 DFAB FC(F)CN1CCC(Nc2cccc(-c3ncon3)c2)CC1 97084663 VYTNMWKRSKZYSP-UHFFFAOYSA-N 308.332 2.878 0 40 DFAB O=C(CCc1ccccn1)N1CCC[C@@H](c2nccs2)C1 72273453 LMBVNNBNNQYNJM-CYBMUJFWSA-N 301.415 2.877 0 40 DFAB CCc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)s1 72276121 RGFOZUYQDGSXCR-GFCCVEGCSA-N 318.446 2.674 0 40 DFAB COc1ccc(Cl)cc1C(=O)OCc1ccccc1C(N)=O 72273557 MWNYRGHGTOOCAK-UHFFFAOYSA-N 319.744 2.805 0 40 DFAB O=C(NCCNc1cccc(Br)c1)C1CC=CC1 95995556 HGZUFZBLXNPMRH-UHFFFAOYSA-N 309.207 2.943 0 40 DFAB CSC[C@H](NC(=O)N[C@](C)(CO)C1CC1)c1ccccc1 95966597 KCJXOEFLXQOKCI-GOEBONIOSA-N 308.447 2.551 0 40 DFAB COc1ccc([C@@H](C)NCC(=O)N2CCCCCC2)c(OC)c1 95984433 CPOPNSIIYQSARB-CQSZACIVSA-N 320.433 2.757 0 40 DFAB COCCn1ccc2cc(NC(=O)N[C@@]3(C)CCOC3)ccc21 95975240 MYFLXMYIRBVBBZ-KRWDZBQOSA-N 317.389 2.588 0 40 DFAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CCO)Cc1cccnc1 95977783 ZTZCPDVOOAAMKF-GJZGRUSLSA-N 316.426 2.576 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(C(=O)O)cc1 95949217 DQNLGMWHIHAWTH-UHFFFAOYSA-N 302.330 2.735 0 40 DFAB CSCC[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C 84637464 AXTPRCQWVFNKBA-SNVBAGLBSA-N 303.859 2.962 0 40 DFAB Cc1cc(C)n(-c2ccc(N[C@@H]3CCC[C@H]4OCC[C@H]34)nn2)n1 89595711 OWPAGULRCVGYFN-RBSFLKMASA-N 313.405 2.649 0 40 DFAB C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(Cn3cccc3)cc2)C1 89894254 COXHOXSKZAYODS-MAUKXSAKSA-N 312.413 2.769 0 40 DFAB O=S(=O)(Nc1cnc2ccccc2n1)c1ccccc1F 89878662 RDTCQWMVRCAKRU-UHFFFAOYSA-N 303.318 2.570 0 40 DFAB Oc1nc(Cl)cc(N2CC3(CCC3)[C@H]2c2cccnc2)n1 1548522438 VZSJEDQQWVFDCD-CYBMUJFWSA-N 302.765 2.962 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C 28240128 RRRCTFWMSYCOCB-VIFPVBQESA-N 323.828 2.953 0 40 DFAB CN1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@@H]1c1ccccc1 74563391 IZGCZMWLXQVDAF-GOSISDBHSA-N 320.396 2.692 0 40 DFAB Cc1ccc([C@@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218446362 OFPTXVRIANHEFN-KSZLIROESA-N 316.422 2.852 0 40 DFAB c1cncc(-c2nnc([C@H]3CCCN(Cc4ccncc4)C3)o2)c1 72389980 RLJNBYGCQKEIEK-INIZCTEOSA-N 321.384 2.906 0 40 DFAB Cc1nc2ncnn2c(NC[C@H](c2ccsc2)N(C)C)c1C 77188950 BTSVFPMDCPLDIP-CYBMUJFWSA-N 316.434 2.517 0 40 DFAB Cc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCC(C)CC2 71979849 UZZWUHNYLUYXJZ-KVIBHRHWSA-N 317.385 2.827 0 40 DFAB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(C)o1 38677916 RXPGACIWKJCUGQ-UHFFFAOYSA-N 314.341 2.613 0 40 DFAB O=C(C[C@H]1CCCc2ccccc21)NCCCn1ccccc1=O 78712502 KNQJKPCSBGWKLH-QGZVFWFLSA-N 324.424 2.865 0 40 DFAB Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 226390406 HFWAHWIOXYPHKM-QHNADIDASA-N 322.408 2.726 0 40 DFAB CCN1CCN(c2cccc(NCc3cscn3)c2)CC1 191883839 RLJNLIQTSWQLMK-UHFFFAOYSA-N 302.447 2.897 0 40 DFAB Cc1ccc(S(=O)(=O)CNC(=O)Nc2ccccc2)cc1 575443846 MTIPROLFRUYSCE-UHFFFAOYSA-N 304.371 2.548 0 40 DFAB CN1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 225351453 ZCFXBJVGEVSDNG-UHFFFAOYSA-N 301.217 2.700 0 40 DFAB CC1(C)CCCN1C(=O)c1cc(C(=O)O)n(-c2ccccc2)n1 573206081 RBXDSHMBWAPQOF-UHFFFAOYSA-N 313.357 2.585 0 40 DFAB O=C(CCOCC(F)F)Nc1ccc(Br)cc1O 225625301 NVEPAILYKQCOFP-UHFFFAOYSA-N 324.121 2.765 0 40 DFAB C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(C)C 43718603 QUMQGWHZNFMPLI-IINYFYTJSA-N 323.824 2.567 0 40 DFAB O=C1CC[C@H](C(=O)N2CC=C(c3cccc4ccccc34)CC2)N1 63691927 UCYRNHGHJMHYLU-GOSISDBHSA-N 320.392 2.734 0 40 DFAB Cc1ccc(C)c(C(=O)NCc2ccnc(N3CCCC3)n2)c1 224198879 ZJHLCNYSRQDJKS-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB O=C(NCCC1=CCCC1)NCC1CCC2(CC1)OCCO2 192291315 YGNQDPAWVHTKNT-UHFFFAOYSA-N 308.422 2.719 0 40 DFAB O=C(COCC1CC1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 96417197 NYNYZKJEDPWXAW-CQSZACIVSA-N 322.380 2.782 0 40 DFAB C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@H](C(=O)O)C1 96479517 BLPDOYALQOFGTQ-OCCSQVGLSA-N 307.365 2.718 0 40 DFAB CC[C@@H](NC(=O)CCCNC(=O)OC)c1cc(F)ccc1F 96419024 RURWENDIOUMRSE-CYBMUJFWSA-N 314.332 2.668 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@@H]3C)CC(=O)N2C)cc1 96181323 PVWPNCLPHDEWJJ-QILLFSRXSA-N 314.429 2.915 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 96432700 XKUCPIXXIJEIGW-OAHLLOKOSA-N 324.371 2.694 0 40 DFAB C[C@@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ncc[nH]1 580765464 NPYIZHQZXFBGFT-MRVPVSSYSA-N 317.299 2.569 0 40 DFAB C[C@H](NC(=O)NCc1ncnn1C)c1csc2ccccc12 96439926 VVFQCLGQOLSLBI-JTQLQIEISA-N 315.402 2.590 0 40 DFAB CC1=Cc2c(cc(C)n(CC(=O)O)c2=O)O[C@@H]1c1ccccc1 257316346 VFEGONKFGSYYMF-KRWDZBQOSA-N 311.337 2.778 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)[C@H]1O 257308482 TWWKYEGAKIQTFX-BZUAXINKSA-N 323.408 2.538 0 40 DFAB CC(C)n1nccc1CNCc1cc(C(F)(F)F)n(C)n1 256049800 BLYOJFOSUWTPPB-UHFFFAOYSA-N 301.316 2.506 0 40 DFAB CCCc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)no1 257334643 YGUKGHDNCHOPCO-GFCCVEGCSA-N 302.378 2.678 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 257320650 VXTGUKKLRAQEAN-CQSZACIVSA-N 306.369 2.896 0 40 DFAB CN(CCOc1ccccc1)Cc1ccnc([C@H]2CCCO2)n1 257254597 KDVBRIXNBSZBHN-QGZVFWFLSA-N 313.401 2.839 0 40 DFAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccc(-n2cccc2)cc1 96122976 XOFXEFRHKNLBDN-QGZVFWFLSA-N 322.368 2.888 0 40 DFAB CC[C@@H](C)n1nc(NC(=O)CCc2ccc(O)cc2)cc1C 390833155 CXEFARZDECPPBO-GFCCVEGCSA-N 301.390 3.439 0 40 DFAB O=C(c1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 32924021 BVZNQRFNDFBGGL-UHFFFAOYSA-N 322.364 2.842 0 40 DFAB Cc1cc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)ccn1 1776000829 MFEAMWGXXBYOOA-HNNXBMFYSA-N 311.385 2.716 0 40 DFAB Cc1cccc2nc(C(=O)Oc3ccc4c(c3)CCC(=O)N4)cn12 73811818 BEUPVULQWPGENN-UHFFFAOYSA-N 321.336 2.747 0 40 DFAB COc1cccc2cc(C(=O)NCC[C@H](O)C(C)(C)C)oc12 75157760 MHXTYDXAHUILJI-AWEZNQCLSA-N 305.374 2.968 0 40 DFAB biogenic O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1C[C@@H]1c1ccco1 76066900 ZRIYOUGLSHWBFR-RYUDHWBXSA-N 301.346 2.639 0 40 DFAB CO[C@@H]1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 76347971 DPFVVBQNKCDSNR-CYBMUJFWSA-N 316.323 2.755 0 40 DFAB Cc1nc(CNC(=O)NC2Cc3ccccc3C2)sc1C 97140250 OIYBNBFTTGDFNA-UHFFFAOYSA-N 301.415 2.727 0 40 DFAB O=C(O)c1cn([C@H]2C[C@H]2F)c2c(Cl)c(F)c(F)cc2c1=O 114937046 HYNVUCYYHOBXLB-SVRRBLITSA-N 317.650 2.914 0 40 DFAB in-vitro O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)c2ccccc2)N1 5602071 VBTRZHCQMRSRTK-DOTOQJQBSA-N 320.348 2.691 0 40 DFAB COc1ccc2cc(C(=O)NCCCc3ccccn3)n(C)c2c1 12148612 TXSZXSFXGPCTDA-UHFFFAOYSA-N 323.396 2.945 0 40 DFAB OC1(c2ccccn2)[C@H]2CCC[C@@H]1CN(Cc1ccncc1)C2 12337965 RZUNWEJVQZUCFI-JJTKIYQPSA-N 309.413 2.596 0 40 DFAB CC(=O)Nc1c(Cl)cc(N2C(=O)CCC2=O)cc1Cl 18195443 AHUVHXNPZCYUIY-UHFFFAOYSA-N 301.129 2.605 0 40 DFAB Cc1cccc(C2=NO[C@H](CC3(C(=O)O)CCOCC3)C2)c1 19234569 BVPZOLMIEDHQCK-AWEZNQCLSA-N 303.358 2.760 0 40 DFAB O=C(Cn1cccn1)N[C@@H](Cc1ccsc1)c1nccs1 19406057 WYFMYMBYSXCPFI-LBPRGKRZSA-N 318.427 2.501 0 40 DFAB O[C@H](CN1CCN(c2nccs2)CC1)c1ccc(Cl)cc1 19656850 HFFNNVIYSMLOIR-CQSZACIVSA-N 323.849 2.652 0 40 DFAB Cn1cc(-c2ccc([C@H]3CCCN3Cc3ncc[nH]3)nc2)cn1 19688809 UZTAJDHCWKPPHA-MRXNPFEDSA-N 308.389 2.542 0 40 DFAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@@H](O)C1(C)C 2037849882 BBVUIZFQYYYIBS-QGZVFWFLSA-N 322.493 2.793 0 40 DFAB Cc1ccc(-c2nc(CS(=O)(=O)C[C@H]3CCCO3)co2)cc1 40498851 FIZGICYGLUMQDK-OAHLLOKOSA-N 321.398 2.744 0 40 DFAB CCOC(=O)c1sc2nc(-c3cccnc3)[nH]c(=O)c2c1C 387971 QSXIZVJLYXBCLA-UHFFFAOYSA-N 315.354 2.532 0 40 DFAB COc1ccc([C@@H]2CCCN2Cc2nnc(C)o2)c(OC)c1 32751531 JEIRKERGNYKBDM-AWEZNQCLSA-N 303.362 2.732 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ncccc1O 22264778 FGVYYZLQTVYXPD-OAHLLOKOSA-N 323.352 2.690 0 40 DFAB O=C(COC(=O)c1ccco1)NCC1(c2ccccc2)CCC1 22496911 BFBIMSJKFVPLHH-UHFFFAOYSA-N 313.353 2.675 0 40 DFAB CCCc1cc(C(=O)NCCCN2CCCC2=O)sc1C 22625635 RJFTZDYIQUNNIB-UHFFFAOYSA-N 308.447 2.751 0 40 DFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1C 134829 MSYCZCNBYINIDJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCOC(=O)c1c(NC(C)=O)sc(C(=O)OC(C)C)c1C 149440 DLGJCTUUZGVNLU-UHFFFAOYSA-N 313.375 2.757 0 40 DFAB O=C(Nc1ccc2nccnc2c1)N(CCO)c1ccccc1 303141 JUHBKYVDBCFYKQ-UHFFFAOYSA-N 308.341 2.661 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 12534195 FZCUGIVPTFYREZ-LBPRGKRZSA-N 315.398 2.695 0 40 DFAB Cc1ccc([C@H]2OCCC[C@H]2CNc2nccn(C)c2=O)cc1 78678029 OFXLUIUMYRDIMP-JKSUJKDBSA-N 313.401 2.669 0 40 DFAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2nc[nH]n2)o1 78756391 LJFBSAZXADMYOM-WCQYABFASA-N 302.378 2.639 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2nc(C)n3c2CCCC3)c1 78984948 VUVMTQAIIOJWQA-UHFFFAOYSA-N 312.373 2.739 0 40 DFAB CC(C)[C@@](O)(C(=O)OCC1=CN2CCC1CC2)c1ccccc1 1558450 HUXWLUVULBAHNX-IBGZPJMESA-N 315.413 2.683 0 40 DFAB CNC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 24039579 TZKAGHINHFKYML-UHFFFAOYSA-N 324.380 2.552 0 40 DFAB CCN1C(=O)COc2ccc(NC(=O)c3ccsc3)cc21 61997284 SUBWNQFKPAPEMP-UHFFFAOYSA-N 302.355 2.746 0 40 DFAB COc1ccc(C(=O)c2cccc(OC(C)=O)c2)c(OC)c1 43209892 VFBWNBMMDLTVAO-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB COc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)c(OC)c1 62001614 GBTHJECCVJUPQA-IEBWSBKVSA-N 324.380 2.628 0 40 DFAB biogenic CNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 4968482 GCDSSQJUUAPTEC-VIFPVBQESA-N 323.443 2.562 0 40 DFAB CCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 1320419 QNRUTRIEVFDSAE-OXQOHEQNSA-N 321.376 2.686 0 40 DFAB Cc1cccnc1NC(=S)NCc1ccc2c(c1)OCO2 7368002 QXEBFHGIIGPPOY-UHFFFAOYSA-N 301.371 2.605 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 7417223 UXAHBLQMYNAGHD-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(NCc1ccccn1)c1cc2cc(Cl)ccc2oc1=O 7463459 KJAYOIMLVAPDMF-UHFFFAOYSA-N 314.728 2.771 0 40 DFAB O=C1C=Cc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1O 111481746 VFNIIYMQCUPPSV-VLGSPTGOSA-N 309.281 2.713 0 40 DFAB COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)C[C@@]3(C)O 8652745 FGJKCCRPDDSSOD-NXWXRZEISA-N 301.430 2.744 0 40 DFAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccco1 8984602 JVILDBKXLSCJSW-LLVKDONJSA-N 318.760 2.716 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)s1 72232071 VZVWBBQSHLPKBV-LLVKDONJSA-N 320.418 2.978 0 40 DFAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1cc(F)cc(N2CCCC2)c1 72294218 BXHIDOFEXKJMAL-OLZOCXBDSA-N 323.412 2.954 0 40 DFAB CC(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)s1 48273318 QKYPGOGDCVGYNG-NSHDSACASA-N 306.387 2.576 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)s1 72235297 BYWBGGLQRBBDSP-CYBMUJFWSA-N 318.446 2.996 0 40 DFAB NC(=O)[C@H](OC(=O)CSc1ccc(F)cc1)c1ccccc1 10190798 DCWXQYCYKWFNIY-OAHLLOKOSA-N 319.357 2.688 0 40 DFAB CC1(CCNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)OCCO1 97115779 OEDSYXNRJKPYKC-CQSZACIVSA-N 324.808 2.780 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)Cc1ccoc1 97163687 UWGWBEOOULTNEL-KGLIPLIRSA-N 322.405 2.774 0 40 DFAB O=C(COc1ccc2c(c1)CCC2)NCCOc1ccccc1 3332417 TZBNMRBLQPJUGT-UHFFFAOYSA-N 311.381 2.749 0 40 DFAB CC[C@](C)(NC(=O)c1c(C)oc2ccc(OC)cc12)C(=O)OC 58201735 PPYZOOPHVJUQRB-KRWDZBQOSA-N 319.357 2.821 0 40 DFAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2[nH]ccc2c1 97163005 HZPFPXWXKMGSFR-UHFFFAOYSA-N 323.352 2.545 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1C=CCC1)C2 107711484 PUHMJKCLDCQMOP-JFIYKMOQSA-N 307.434 2.777 0 40 DFAB C[C@@H](NC(=O)c1cn(C)c2ccccc12)c1nnc2ccccn12 48374558 DEXHZOGOTFZBDL-GFCCVEGCSA-N 319.368 2.712 0 40 DFAB O=C([C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 104185560 NJNFWBMXZALZDN-QAETUUGQSA-N 318.461 2.674 0 40 DFAB CN(C)C1(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CCCCC1 102971576 ZRCHVVUEFSLPRW-RBSFLKMASA-N 309.523 2.904 0 40 DFAB CCC[C@H](C)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 12804651 DMTJYGYYOPFCQG-NSHDSACASA-N 317.364 2.598 0 40 DFAB COc1ccccc1C(=O)NCc1ccccc1Cn1cccn1 12855988 ISCYGLORCLXOQB-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB COc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 12885099 LMIMEPHWDUQMFF-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(C)no1 58984584 ORQAUJWHUXESQV-CQSZACIVSA-N 300.358 2.839 0 40 DFAB COc1cccc(CNC(=O)[C@@H]2CC(=O)OC23CCCCC3)c1 57355710 BHLFJKSGLVGKGF-HNNXBMFYSA-N 317.385 2.577 0 40 DFAB NC(=S)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1 2457320 WAGZHYORXOVPSF-UHFFFAOYSA-N 313.426 2.845 0 40 DFAB COC(=O)c1ccccc1NC(=O)CSc1nc(C)cs1 3413981 GSCPUAXHHFZAGT-UHFFFAOYSA-N 322.411 2.969 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3470800 VIQWPFBSXZWARK-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB COc1ccc(CC(=O)NCc2cc(-c3ccco3)on2)cc1 22768596 LPACDUWZEKNKFD-UHFFFAOYSA-N 312.325 2.802 0 40 DFAB O=c1c2ccccc2nnn1CCOc1ccccc1Cl 3579173 NLBKOXMJDKNHSX-UHFFFAOYSA-N 301.733 2.524 0 40 DFAB Cc1cccc(OCC(=O)N[C@@H](CC(=O)O)c2cccs2)c1 13389182 USYKXGCXUBSTNS-ZDUSSCGKSA-N 319.382 2.768 0 40 DFAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(F)cc1Cl 9248038 WAQGMGTZCWDKGN-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB Cn1cc(Br)c(=O)c(NC(=O)CCC2CCC2)c1 97237821 KOPUTWRGYSWCGA-UHFFFAOYSA-N 313.195 2.667 0 40 DFAB Cc1oc(-c2cccs2)nc1CN(C)CC(=O)N1CCCC1 65447185 OOZROCTUNYCRDB-UHFFFAOYSA-N 319.430 2.766 0 40 DFAB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3ccccn3)o2)N1 408987771 BZJQLDAQLSTION-PRHODGIISA-N 308.384 2.614 0 40 DFAB Cc1ccnc(NC(=O)Cc2cc(=O)oc3cc(C)ccc23)c1 65523808 GXSQHXNYUSWMRZ-UHFFFAOYSA-N 308.337 2.986 0 40 DFAB NC(=O)Cc1csc(NC(=O)c2cccc3ccccc23)n1 14136059 QNWJGPCARQOGHZ-UHFFFAOYSA-N 311.366 2.576 0 40 DFAB CC(C)n1ncc2cc(NC(=O)[C@@H]3Cc4ccccc4O3)cnc21 14188919 UUYIKLLJHCNFSF-INIZCTEOSA-N 322.368 2.954 0 40 DFAB Clc1ccc(-c2nnc(CN3CCn4ccnc4C3)o2)cc1 97201758 AYIVCMIVVQHRRJ-UHFFFAOYSA-N 315.764 2.602 0 40 DFAB CC(C)NC(=S)Nc1ccc(-c2nnc3n2CCCC3)cc1 26780235 NLRJZCJLNJCPQF-UHFFFAOYSA-N 315.446 2.976 0 40 DFAB CC(C)NC(=O)NC(=O)CSC1=Nc2ccccc2CS1 6588247 NOWJBNKTBRVLOH-UHFFFAOYSA-N 323.443 2.888 0 40 DFAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 6540902 SZVHMRRDBWSPMS-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB CCN(C(=O)c1ccc(=O)n(CCOC)c1)[C@H]1CCCC[C@@H]1C 66414905 BNMFIURTJCOLGS-HOCLYGCPSA-N 320.433 2.536 0 40 DFAB CCN(C(=O)[C@H](C)Sc1nnc(N)s1)C1CCCCC1 7535877 RDOSPYFTTQDQKT-VIFPVBQESA-N 314.480 2.782 0 40 DFAB CCc1cnc(CCNS(=O)(=O)/C=C/c2ccccc2)s1 96428666 HLAGLJWIYBMMHK-PKNBQFBNSA-N 322.455 2.838 0 40 DFAB CCN(C[C@@H]1CCCO1)C(=O)c1cnc(-c2ccccc2)nc1 68243091 RRMVWBNTKQTJDJ-INIZCTEOSA-N 311.385 2.785 0 40 DFAB Cc1cc(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)no1 7628793 VMDJVTJHMCKCLB-JTQLQIEISA-N 320.370 2.874 0 40 DFAB CC(=O)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 8395615 HEOAQILVHCFUKQ-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccsc1 71893718 YOLRITIYHXNOJD-GFCCVEGCSA-N 320.801 2.937 0 40 DFAB O=C(c1cccnc1Oc1ccccc1)N1CCN(C2CC2)CC1 71836745 LSSWHRLHQCXEBG-UHFFFAOYSA-N 323.396 2.794 0 40 DFAB O=C(CCn1ccnc1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 69667968 NZZQWKSWRSTVRO-UONOGXRCSA-N 323.318 2.964 0 40 DFAB O=C(NCCn1ccnc1)N1CCCC[C@@H]1Cc1ccccc1 69697640 SXAIOVBAMWCLQO-QGZVFWFLSA-N 312.417 2.690 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCCN2c2ncnc3[nH]ccc23)n1 95351532 VCGHDFDYBKSKTE-AWEZNQCLSA-N 310.405 2.830 0 40 DFAB Cn1cc(CCCCNC(=O)[C@H]2CSc3ccccc32)cn1 95398535 LXCJYCKCEYBEIP-HNNXBMFYSA-N 315.442 2.749 0 40 DFAB O=C1COc2c(cccc2C(=O)Nc2ccc(Cl)cc2)N1 69775234 KKXJJKDJRFRMJI-UHFFFAOYSA-N 302.717 2.923 0 40 DFAB CN(C(=O)[C@@H]1CCCO1)[C@@H](c1cccc(F)c1)c1ccccn1 69810777 RQULFMBGENKDRN-IRXDYDNUSA-N 314.360 2.948 0 40 DFAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H]1Cn1cccn1 69951510 YGRMAWYBXZXDHU-SJLPKXTDSA-N 309.413 2.994 0 40 DFAB CCN(CCc1ccccn1)CC(=O)Nc1ccc(OC)cc1 8747025 BETORPFNYJSOSE-UHFFFAOYSA-N 313.401 2.593 0 40 DFAB Cc1cccc(OCCNC(=O)COc2cccc(F)c2)c1 21769604 GEHGDKKMNJZNNH-UHFFFAOYSA-N 303.333 2.708 0 40 DFAB CC(C)COC[C@@H](C)Nc1cc(C(F)(F)F)nc2ncnn12 71908227 KHIWJOHKTFHKIW-SECBINFHSA-N 317.315 2.616 0 40 DFAB Cc1nc([C@H](NC(=O)C2CCCC2)c2ccccc2F)no1 71908010 VHCBEZQDMGNNFX-CQSZACIVSA-N 303.337 2.913 0 40 DFAB CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1cccc(F)c1)C(C)C 83993335 ABQIOKJXDGFMHJ-LBPRGKRZSA-N 315.410 2.633 0 40 DFAB CCOc1c(Cl)cccc1NC(=O)N(C)Cc1ncnn1C 72939898 MFBRIQOFSHLXJX-UHFFFAOYSA-N 323.784 2.531 0 40 DFAB O=C(NCCc1nncn1C1CC1)C1(Cc2ccccc2)CCC1 95411731 AUFYZIHSCNMXDD-UHFFFAOYSA-N 324.428 2.685 0 40 DFAB COC(=O)[C@H](S[C@H](C)CO)c1cccc(Br)c1 95980498 ABGYEUHZCFECIF-LDYMZIIASA-N 319.220 2.777 0 40 DFAB Cc1noc(C)c1CN(C)C(=O)[C@@H](c1ccccc1)N(C)C 95956442 WIUWAEUKQBTERJ-MRXNPFEDSA-N 301.390 2.553 0 40 DFAB CCCCOc1ccc(C(=O)N(C)C[C@@H](C)C(=O)O)cc1OC 95956970 DRERHSYVXRDDOF-GFCCVEGCSA-N 323.389 2.667 0 40 DFAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C2CCCCC2)n[nH]1 95976141 HKFPIYGHTJEDJH-OLZOCXBDSA-N 319.405 2.529 0 40 DFAB CN(C(=O)C[C@H](O)c1cccc(F)c1)c1ccc2c(c1)CCO2 89322461 JPDRZRGVLRINGT-INIZCTEOSA-N 315.344 2.847 0 40 DFAB COc1ccc(C)cc1CCNC(=O)c1ccc2c(c1)OCO2 9987505 YCIIDXBEUUZYSB-UHFFFAOYSA-N 313.353 2.705 0 40 DFAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc(C)on2)n1 89595834 UFZABZOZQDPOGJ-UHFFFAOYSA-N 310.357 2.716 0 40 DFAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1cccc(F)c1 25672014 ITFKOFSZGLPQPP-HNNXBMFYSA-N 320.364 2.995 0 40 DFAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)NC2=O)cc1 408950491 FNNGQJPPGQAIAG-GXDHUFHOSA-N 313.382 2.867 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N1CCC[C@@H]2CCCC[C@H]21 61280816 USTBOSNARHWZEU-UONOGXRCSA-N 306.431 2.593 0 40 DFAB COc1ccc2c(ccn2CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 32102357 DJPMZRBXISOHDD-IJEWVQPXSA-N 310.397 2.978 0 40 DFAB CC(C)N1CCC[C@H](c2cccc(N3CCCOCC3)n2)C1 72365298 KVVRNCAMEJBKAI-INIZCTEOSA-N 303.450 2.896 0 40 DFAB CCCN(CCC)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 70461211 KFJMUXSCHIFZFU-CYBMUJFWSA-N 304.390 2.751 0 40 DFAB CC(=O)N1CC[C@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 72382409 WDTRZGYEIXBEFA-AWEZNQCLSA-N 311.389 2.568 0 40 DFAB O=C(O)[C@@H]1CCCN(c2cc(Nc3ccccc3F)ncn2)C1 217364386 ZIHKQXQHDMLMDD-LLVKDONJSA-N 316.336 2.660 0 40 DFAB CN1CCN(c2ccnc(SCc3ccc(F)cc3)n2)CC1 76555283 OFVDHQNFMANEOD-UHFFFAOYSA-N 318.421 2.660 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)NCCn1ccnc1 43311313 LWPVTPGHFJFJLF-CYBMUJFWSA-N 304.419 2.664 0 40 DFAB CC(C)N(CC(=O)O)C[C@H]1CCCN(Cc2ccccc2)C1 79393430 HCJFGBIEPUFHJP-KRWDZBQOSA-N 304.434 2.694 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 33015174 AOKDJYSZYLHUDR-SFHVURJKSA-N 313.397 2.761 0 40 DFAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)n3cccn3)co2)cc1 73301292 ARLCTOWDQBPSTB-ZDUSSCGKSA-N 310.357 2.724 0 40 DFAB CC(C)c1cc(CNC(=O)N[C@@H]2COc3ccccc32)on1 79349410 VNPODBHQBSWDFY-CQSZACIVSA-N 301.346 2.731 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCCCc2ccccc21 40133927 BPIBQNQHCUFYMQ-UHFFFAOYSA-N 306.369 2.801 0 40 DFAB CCOC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21 40175596 RULRFOMLCQMSTG-UHFFFAOYSA-N 324.174 2.636 0 40 DFAB Fc1ccccc1-c1nnc([C@H]2CCN(C3CCOCC3)C2)o1 49170570 SKINQGDYEJVLMA-LBPRGKRZSA-N 317.364 2.844 0 40 DFAB biogenic,in-vitro COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\OC)c1ccccc1 85577609 WUVZENIISJMEHI-NXVVXOECSA-N 309.321 2.940 0 40 DFAB CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCSC1 89936623 ZBOKPJMUBAAHQS-NSHDSACASA-N 321.414 2.620 0 40 DFAB O=C(NCc1ccnc(-c2ccsc2)c1)NC1CCOCC1 225757661 GTXYIDNILRTXMY-UHFFFAOYSA-N 317.414 2.788 0 40 DFAB CC(C)n1nc(Cn2cccc2)c2c1CN(C1CCOCC1)C2 96259154 YUVOBKQKBGLFLI-UHFFFAOYSA-N 314.433 2.808 0 40 DFAB COCCOCc1cc(C(=O)Nc2ccncc2C)ccc1F 96426446 NSMLCWLEVLQSNL-UHFFFAOYSA-N 318.348 2.944 0 40 DFAB Cc1cccc(CN2CCC[C@@]3(CCN(c4ncccn4)C3)C2)n1 96216154 XHFKVDFEFNVPTN-LJQANCHMSA-N 323.444 2.673 0 40 DFAB c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 96218651 WQMSIRWAGYLTBG-WBVHZDCISA-N 316.426 2.956 0 40 DFAB O=C(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccsc1 96209223 FKIFYILCQPQNLT-RHSMWYFYSA-N 320.458 2.654 0 40 DFAB Cc1cc(NC(=O)NCC[C@@H](C)O)nn1-c1ccccc1Cl 96495621 HLLACHRTFCYRAS-LLVKDONJSA-N 322.796 2.727 0 40 DFAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccco3)[C@H]2C1 96054180 AEVZLTOAWVQSDE-HIFRSBDPSA-N 300.358 2.609 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1 96192061 LWTKSDRUALUWKW-HUUCEWRRSA-N 310.397 2.956 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2ccc3[nH]ncc3c2)CC1 257215479 CQGWDPRAFLQALV-CYBMUJFWSA-N 323.400 2.771 0 40 DFAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)c(C)s1 26539274 HQVORUAREBQNEK-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB CCc1cc2nncn2c(SC[C@@H](O)c2ccccc2)n1 280061351 SVCUXJFOSFYCOT-CYBMUJFWSA-N 300.387 2.512 0 40 DFAB Cc1ccccc1OCC(=O)NCc1nccnc1-c1ccco1 390830655 MMDVPBIAVXQFQD-UHFFFAOYSA-N 323.352 2.740 0 40 DFAB O=C(Nc1ccncc1)[C@H]1CCCCN1C(=O)c1ccccc1 71847315 FBYIYNYYFIJHHJ-MRXNPFEDSA-N 309.369 2.715 0 40 DFAB CCN(CC)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 40121074 AXZOOHRBMSHMOL-STQMWFEESA-N 306.410 2.569 0 40 DFAB Clc1cnc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)nc1 572185518 ZURCUZQACOUAQA-BETUJISGSA-N 300.793 2.703 0 40 DFAB COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)O1 298173 MYAZLVHCXDXUSN-MDWZMJQESA-N 323.304 2.768 0 40 DFAB O=C(Cc1ccc(NC(=O)c2cccs2)cc1)NC1CC1 13715885 PPRUCZUSTRRUGM-UHFFFAOYSA-N 300.383 2.822 0 40 DFAB COc1ccc([C@@H](C)Nc2cnn(C)c2)cc1Cn1cccn1 157323490 UEQRWTIPCLZBPT-CYBMUJFWSA-N 311.389 2.847 0 40 DFAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1 225461290 UEQMXHMDHKBLDE-CQSZACIVSA-N 315.373 2.678 0 40 DFAB Cc1ccc2oc(-c3ccccc3)c(OCC(N)=O)c(=O)c2c1 1941672 GEELAWCYQPRAEC-UHFFFAOYSA-N 309.321 2.633 0 40 DFAB O=C(NCCc1cncnc1)N[C@@H]1CCc2cc(Cl)ccc21 527693586 FDYWYKZUMHEGLQ-OAHLLOKOSA-N 316.792 2.659 0 40 DFAB CCCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 4547900 BWXQMOUNFNZIFV-UHFFFAOYSA-N 314.385 2.686 0 40 DFAB COc1ccc(CN2CCC(COc3cnccn3)CC2)cc1 1849651909 YDPYIYHPBROZGL-UHFFFAOYSA-N 313.401 2.776 0 40 DFAB Cc1cnc(C(=O)OCC(=O)c2oc3ccccc3c2C)cn1 23950708 AQCADYCTMQINMB-UHFFFAOYSA-N 310.309 2.879 0 40 DFAB O=C(NCc1nc2ccccc2[nH]1)c1ccnc(OCC2CC2)c1 244969120 GYZUWEFLMZUMCT-UHFFFAOYSA-N 322.368 2.677 0 40 DFAB CCOCCN1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 2037658281 AQVFCGHWSRILFI-INIZCTEOSA-N 302.418 2.695 0 40 DFAB CN(C)[C@H](CNC(=O)COc1ccccc1F)c1cccs1 23105620 CHGPZWIEBRNJLN-CYBMUJFWSA-N 322.405 2.685 0 40 DFAB CC(=O)NC(C)(C)c1noc([C@@H]2C[C@H]2c2cccc(F)c2)n1 72550017 PXTWTGCMMBCIIA-QWHCGFSZSA-N 303.337 2.851 0 40 DFAB CC(C)Cn1ccnc1CNC1CCN(c2nccs2)CC1 97237696 HGJUCJFLKZUZPY-UHFFFAOYSA-N 319.478 2.754 0 40 DFAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)[C@H]2C=C[C@H]1C2 101518823 HFXMAWWKMBRQBS-VDUILEQBSA-N 323.295 2.749 0 40 DFAB C[C@@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 40052237 ZKWLYBVDKJXZOY-GHMZBOCLSA-N 307.781 2.999 0 40 DFAB COc1cccc(Cn2c(S)nc3ccsc3c2=O)c1 100090696 JUIXMDZOCZJFSL-UHFFFAOYSA-N 304.396 2.804 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1 30581849 NCDDVMXSSYHRTQ-UHFFFAOYSA-N 319.382 2.673 0 40 DFAB CCOc1ncccc1CNC(=O)[C@H](C)n1cnc2ccccc21 30645632 FTSFGHZDDQLXMZ-ZDUSSCGKSA-N 324.384 2.707 0 40 DFAB O=C1C(Cl)=C(N2CCCCC2)C(=O)N1CCc1ccccc1 131801 LGMXQLQPGKISBZ-UHFFFAOYSA-N 318.804 2.534 0 40 DFAB c1cnc(N2CCC[C@@H](Nc3ncnc4sccc34)C2)nc1 40555566 UINAXNDCGARVSN-LLVKDONJSA-N 312.402 2.562 0 40 DFAB Cc1c(Br)cccc1CN1C(=O)[C@@H](C)[C@@H](C)C1=O 101836547 GXTIIWMYCAPSKK-DTORHVGOSA-N 310.191 2.899 0 40 DFAB CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 21360052 DAGKRKVOVUKFOM-UHFFFAOYSA-N 304.390 2.580 0 40 DFAB CCCCN(CC(N)=O)C(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 32926362 KRFPVFBFKGBAGQ-TUPWZPNASA-N 304.390 2.530 0 40 DFAB CN(C)[C@H](CNCc1ccc2c(c1)OCCO2)c1cccs1 22799069 PUNMXVKNCCWFSC-CQSZACIVSA-N 318.442 2.912 0 40 DFAB Cc1cccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)c1 12562288 WYVHIPLFPDZLCL-UHFFFAOYSA-N 319.368 2.502 0 40 DFAB CCN(C(=O)Nc1ccccc1F)[C@@H](C)CS(=O)(=O)CC 84760664 FVCLIVGVDWYHNC-NSHDSACASA-N 316.398 2.503 0 40 DFAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104733393 WHHXWAWABRPFOC-AATLWQCWSA-N 314.480 2.542 0 40 DFAB CC(C)c1n[nH]c([C@@H]2CN(CCc3cccs3)CCO2)n1 78892916 NWFCTVZKQCFGFJ-ZDUSSCGKSA-N 306.435 2.606 0 40 DFAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)COCC1CC1 78804906 NDYGYTZHRUEFPX-AEFFLSMTSA-N 314.429 2.556 0 40 DFAB Cc1nonc1NC(=O)c1cc(Cl)ccc1OC(F)F 79013924 LNGVNOHLIATTLU-UHFFFAOYSA-N 303.652 2.885 0 40 DFAB O=C(c1cccnc1)N1CCN(c2ccccc2Cl)CC1 1561576 KLWCNVBEDACIBN-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB Cc1nc(C(=O)Nc2nc[nH]n2)c(-c2cccc(F)c2)s1 79494789 SWMQLAHBBHJXRP-UHFFFAOYSA-N 303.322 2.628 0 40 DFAB COC(=O)c1cnc(NC(=O)CCCOc2ccccc2)s1 24364762 PVULLRNOFFYCDD-UHFFFAOYSA-N 320.370 2.727 0 40 DFAB O=C(C[C@H]1C=CCC1)OCCCn1c(=O)[nH]c2ccccc21 12598936 VRUSPCKTIYCNMO-ZDUSSCGKSA-N 300.358 2.619 0 40 DFAB COc1ccc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1OC 62001605 KKIIZKHKYNCWEI-PKOBYXMFSA-N 324.380 2.628 0 40 DFAB biogenic C=CCOc1ccccc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 6588337 RFJBACZHWLPGFL-LCYFTJDESA-N 317.370 2.896 0 40 DFAB Cc1cc(C)c(NC(=O)COc2ccccc2C(N)=O)c(C)c1 6786658 OTVBQEQVWOEMPM-UHFFFAOYSA-N 312.369 2.728 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)NCCC1=CCCCC1 7167507 XUILGHWLWVDBSE-SECBINFHSA-N 312.464 2.608 0 40 DFAB Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)ncn2)c(C)o1 106905966 GFCGXPVYUOCMOS-OCCSQVGLSA-N 316.405 2.821 0 40 DFAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CC1 8077178 STQPMUXXAWRTDK-QGZVFWFLSA-N 308.381 2.826 0 40 DFAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1O 12625973 HAUZZCVFKNCSKK-UHFFFAOYSA-N 307.353 2.567 0 40 DFAB CCn1ccc(-c2cc(O)n3ncc(-c4ccccc4)c3n2)n1 100732974 PCJVAXJJYBMLSX-UHFFFAOYSA-N 305.341 2.985 0 40 DFAB CCc1nnsc1C(=O)N[C@@H](C)CCc1ccc(OC)cc1 58282707 WUZYEJDLHRLSCR-NSHDSACASA-N 319.430 2.860 0 40 DFAB COc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1 58326856 HHYYBIHWPIFWPT-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc1 3436389 YUAXEHZHDZFUIO-ZDUSSCGKSA-N 313.353 2.808 0 40 DFAB CSCCC(=O)NCCc1ccccc1Br 61264381 IYVIAHWUWBYGPL-UHFFFAOYSA-N 302.237 2.861 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F 3510826 LXEWLVDYPZVFFI-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB COCc1c(I)cnn1C1CCCC1 408715298 ARRMZRSUJQSNCZ-UHFFFAOYSA-N 306.147 2.749 0 40 DFAB O=C(O)c1cccnc1NCc1ccc(Cn2cccn2)cc1 13240853 XKLCWHJWCPUEOJ-UHFFFAOYSA-N 308.341 2.637 0 40 DFAB O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)CC[C@@H](O)C1 13311576 XVHOPVJSRBYOKK-CQSZACIVSA-N 312.365 2.964 0 40 DFAB biogenic Nc1nccnc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 64089938 XVGRMBBZDWTXAU-UHFFFAOYSA-N 311.370 2.798 0 40 DFAB CC[C@H](CNc1ccc2n[nH]c(=O)n2n1)c1ccc(Cl)cc1 95425675 UXKDKATZWUGMDS-SNVBAGLBSA-N 317.780 2.677 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 4248122 ZBKSZPSUJCJMCE-UHFFFAOYSA-N 309.277 2.744 0 40 DFAB CC(C)N(C)CCCCNC(=O)N[C@H]1CCOc2ccccc21 65497909 MBLLHXNBQANIQI-INIZCTEOSA-N 319.449 2.930 0 40 DFAB CCN1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 65491872 UXOFNKPUCMPSBT-NSHDSACASA-N 300.855 2.935 0 40 DFAB C[C@@H]1CCN(c2ccc(NC(=O)c3ccc4nncn4c3)cc2)C1 65565057 ZTXCEKXKYQCPEA-CYBMUJFWSA-N 321.384 2.828 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1SC 65624895 JRWFRMMRMPCBAY-WDEREUQCSA-N 309.435 2.833 0 40 DFAB N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccncc1 6633485 OLBJZEBZTOOWMG-UHFFFAOYSA-N 313.744 2.891 0 40 DFAB COc1ccc2cc(C(=O)NCc3ccccn3)c(C)nc2c1 9468831 SOPWSSWCOHCOHI-UHFFFAOYSA-N 307.353 2.877 0 40 DFAB CC(=O)NCCCNC(=O)Nc1cc(Cl)ccc1Cl 43154606 REEKVOVMZQCAFK-UHFFFAOYSA-N 304.177 2.641 0 40 DFAB NC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 6879256 JZJUZLZJJQRMFJ-UHFFFAOYSA-N 307.353 2.838 0 40 DFAB O=C(c1ccccc1F)N1CC[S@](=O)C[C@@H]1c1ccccc1 95398652 VZALJCDJCAZTHS-OPAMFIHVSA-N 317.385 2.772 0 40 DFAB O=C1N[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)CS1 96444618 FQXQALFXMXQNJR-NEPJUHHUSA-N 310.806 2.829 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 4974139 ASGOSUHDCGODBA-HIFRSBDPSA-N 306.406 2.852 0 40 DFAB CCOC(=O)c1cc2cc(N[C@H]3CCN(C)C3=O)ccc2s1 96407718 WHUDPFOMDDNKHO-LBPRGKRZSA-N 318.398 2.721 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccccc2)c1 7068776 NQPOLUYSCOWSKJ-UHFFFAOYSA-N 321.336 2.896 0 40 DFAB NC(=O)N[C@H](CC(=O)NC1CCCCC1)c1ccccc1Cl 7063325 UKCJRKWFIXTABP-CQSZACIVSA-N 323.824 2.888 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccc2n1 7039412 FUPIOJSQHCSTLN-UHFFFAOYSA-N 307.309 2.653 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(Cl)cc1 7917703 QHORKGICNFDMDN-UHFFFAOYSA-N 312.797 2.871 0 40 DFAB O=C(O)CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCC1 94290331 FBAVZCQBGNDWQD-UHFFFAOYSA-N 301.264 2.833 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c1 70036420 MGLYHYOLASCVGS-HNNXBMFYSA-N 308.385 2.978 0 40 DFAB CCCCC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 8391271 LUZRKWMSXHHIAL-LLVKDONJSA-N 309.362 2.723 0 40 DFAB COCCn1ccc(NC(=O)CCn2ccc3ccccc32)n1 69417075 FACIQHUPJRGYQS-UHFFFAOYSA-N 312.373 2.513 0 40 DFAB COc1ccc(-c2csc(CS(C)(=O)=O)n2)cc1F 83957112 CWAICBSBXRAPCQ-UHFFFAOYSA-N 301.364 2.502 0 40 DFAB O=C([C@@H]1CCc2ccccc21)N1CCCC[C@H]1Cn1cccn1 69742830 ORYVMKNAHZHRHR-FUHWJXTLSA-N 309.413 2.994 0 40 DFAB Cc1ccc2c(c1)[C@H](NC(=O)CCCN1CCOC1=O)[C@H](C)C2 97079952 YDCGTYPWLJZAJC-CXAGYDPISA-N 316.401 2.577 0 40 DFAB Cn1cnnc1SCCc1nc(-c2ccc(Cl)cc2)no1 69979851 PUVTYTXBKMYYEV-UHFFFAOYSA-N 321.793 2.853 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(C)=O)cc1 8772625 IYAOTLILJOFLTN-UHFFFAOYSA-N 320.348 2.954 0 40 DFAB COc1cccc(CN(C)C(=O)C[C@](C)(O)c2ccccc2)c1 97058507 NTFZVWFWICLOCI-IBGZPJMESA-N 313.397 2.951 0 40 DFAB CC(C)c1nc(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O 22059517 GVZFJSDYLVRTLG-UHFFFAOYSA-N 322.361 2.622 0 40 DFAB in-vitro Cc1ccc(CNC(=O)C2CC=CC2)c(OC[C@H]2CCOC2)c1 87454332 FEOBULICSMFVDA-HNNXBMFYSA-N 315.413 2.993 0 40 DFAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 9065958 RFMJMHCCKASJEY-MRXNPFEDSA-N 323.396 2.857 0 40 DFAB O=C(CC[C@H]1CCCO1)Nc1cnn(-c2ccccc2F)c1 88232186 IQXMIJJPTLHEQH-CYBMUJFWSA-N 303.337 2.909 0 40 DFAB O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@]1(O)CCSC1 95980177 UNQJZSGLVFGKHE-HNNXBMFYSA-N 309.435 2.654 0 40 DFAB CC[C@@H](C)CS(=O)(=O)Nc1cc(NC(C)=O)ccc1F 95982056 MBHJZTDTBRUJDD-SECBINFHSA-N 302.371 2.572 0 40 DFAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccnc2C)cc1 95940155 OWZJHLHRXKXXLL-LBPRGKRZSA-N 312.369 2.994 0 40 DFAB C[C@@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)[S@@](C)=O 95939470 PXWPNROCCKBGML-FPTDNZKUSA-N 322.474 2.608 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[C@H](OCC(C)C)C1 89526327 QKNSCTDNLVEVDN-RISCZKNCSA-N 309.410 2.809 0 40 DFAB CCCCc1noc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)n1 89954874 KZFUDGSPNMIGMO-VXGBXAGGSA-N 318.425 2.752 0 40 DFAB Cn1c(NS(=O)(=O)Cc2ccccc2)nc2ccccc21 27924131 GMCMRKAUMBMWOS-UHFFFAOYSA-N 301.371 2.515 0 40 DFAB C[C@@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 89930306 YXFJDYBIHYYYGS-CHWSQXEVSA-N 308.388 2.760 0 40 DFAB CCOCC(=O)N[C@H](C)Cc1ccccc1Br 89986634 KUOBCWMMYIOLIA-SNVBAGLBSA-N 300.196 2.533 0 40 DFAB Cc1nnc2c(N3CCC(Cc4ccccc4)CC3)nccn12 323394908 LRLFFBZEYYVVEE-UHFFFAOYSA-N 307.401 2.892 0 40 DFAB c1coc(-c2cnc3n2CCN(Cc2ccc4c(c2)OCO4)C3)c1 306128987 HQRBHRJLUZQBSC-UHFFFAOYSA-N 323.352 2.888 0 40 DFAB C[C@]1(O)CCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 188249048 CLAPPIHSQIYMJS-RDJZCZTQSA-N 300.358 2.535 0 40 DFAB O=C(Nc1cccc(I)c1)C(F)(F)F 39899720 ZEWYVZSMKUUMNZ-UHFFFAOYSA-N 315.032 2.792 0 40 DFAB Cc1noc([C@@H]2CCCN([C@H](C(=O)O)c3ccccc3C)C2)n1 565104050 MICRYFFMMYHJDN-HIFRSBDPSA-N 315.373 2.692 0 40 DFAB O=C(OCc1ccccc1)N1CCC[C@@H](CSCCO)C1 79392207 LPLYZJFDFSHWQZ-OAHLLOKOSA-N 309.431 2.761 0 40 DFAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 41123434 MDYNTNIFSXIYLS-OLZOCXBDSA-N 307.394 2.501 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)Oc2nn(C)c3ccccc23)s1 226755158 YCANHYMKSDDELQ-SNVBAGLBSA-N 316.386 2.744 0 40 DFAB CC[C@@]1(C)CN(C(=O)NCc2ccnc3ccccc23)CCO1 225503595 VCABQPMHEMNQFO-SFHVURJKSA-N 313.401 2.945 0 40 DFAB Cn1c(Cl)nc2cc(C(=O)NCc3ccncc3)ccc21 222541961 JVCFJENIJXQXRI-UHFFFAOYSA-N 300.749 2.552 0 40 DFAB CCn1cc(C(=O)NC[C@@](C)(O)c2ccsc2)c(C(C)C)n1 96450387 MSWPKVBMFKJTIT-MRXNPFEDSA-N 321.446 2.725 0 40 DFAB O=C(NCc1nccc(N2CCCCC2)n1)c1cccc(F)c1 96120838 MKBWHQKRJNDPGG-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB O=C(CC[C@@H]1CCCO1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 96456425 NJKZIQCZGYRHNF-ZBFHGGJFSA-N 322.836 2.994 0 40 DFAB CCCc1cc(NC(=O)c2cc(OC)c(OC)cc2F)n[nH]1 96470313 FPPJOMDTYWOYDT-UHFFFAOYSA-N 307.325 2.771 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)[C@H](C)Oc1ccccc1 96120716 HYXIJHKJPFPIFA-ZDUSSCGKSA-N 314.389 2.565 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1ccc(F)cc1OC(F)F 96435464 CVHKYLCMVGFOOV-JTQLQIEISA-N 306.284 2.566 0 40 DFAB Cc1cc(NC(=O)[C@@H](Sc2cn[nH]n2)c2ccccc2)no1 95482021 HESGLCUOEPSNET-ZDUSSCGKSA-N 315.358 2.573 0 40 DFAB Cc1cc(CC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)no1 236625536 KPAXZMHNKUOLDE-UHFFFAOYSA-N 318.329 2.650 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@H]2c2ccc(Cl)cc2)cc1 242750552 ZSHPTAWLFYRDRW-OAGGEKHMSA-N 321.829 2.915 0 40 DFAB CN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3ccccc3)CC[C@H]21 257280579 OLLGZKMLDIUABC-XXFQCFAGSA-N 312.413 2.559 0 40 DFAB Cc1nc([C@@H]2CCCN2Cc2cscn2)cc(N(C)C)n1 257215197 CPCWUSMPTIZMHK-AWEZNQCLSA-N 303.435 2.645 0 40 DFAB C[C@@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C[C@H]1C(=O)O 564978261 MAXKOTRAOQRORH-DGCLKSJQSA-N 318.373 2.586 0 40 DFAB Cc1ccc2nc(C)c(C(=O)O[C@@H](C)C(=O)NC3CC3)cc2c1 32854508 LXGISEOKRSDWHY-LBPRGKRZSA-N 312.369 2.676 0 40 DFAB CN(Cc1cccc(O)c1)C(=O)c1cc(Br)c[nH]1 37846120 VNVNOYVXSJTCQZ-UHFFFAOYSA-N 309.163 2.755 0 40 DFAB O=C(NC[C@H]1CCC[C@@H]1O)C1(c2cccc(F)c2)CCCC1 76060532 LBLRVZBLRFHFII-CJNGLKHVSA-N 305.393 2.915 0 40 DFAB COc1cc2c(cc1OC)CN(c1ncnc3c1CCC3)CC2 76919866 QTVQNFXCGXHHQF-UHFFFAOYSA-N 311.385 2.545 0 40 DFAB Cc1noc(C)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 58191485 NMHBVJBPFPONLR-UHFFFAOYSA-N 322.748 2.897 0 40 DFAB C[C@@H](Nc1nc(N)c2ccccc2n1)[C@@H](O)Cc1ccccc1 95978593 AJNGWHGRVUEFDY-WBMJQRKESA-N 308.385 2.616 0 40 DFAB CCOC(=O)/C=C1/NC(C)(C)Cc2cc(OC)c(OC)cc21 100017052 XGUYTBDESFKGJL-UKTHLTGXSA-N 305.374 2.532 0 40 DFAB Cc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1 301286714 ZJWZWJWBWQJPAM-UHFFFAOYSA-N 302.809 2.761 0 40 DFAB Cc1nc(CN2CCC(c3ccc4cccnc4n3)CC2)no1 653807420 XOXFTJVFHHRGDQ-UHFFFAOYSA-N 309.373 2.701 0 40 DFAB Cc1cccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 15197358 INWUPWFKAMLAPQ-CYBMUJFWSA-N 317.410 2.890 0 40 DFAB COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1OC 16195222 WONSGKWAEWIBEJ-OUCADQQQSA-N 319.401 2.878 0 40 DFAB O=C(c1cc[nH]c(=O)c1)N1CCS[C@@H](c2ccccc2)CC1 206988760 KFKDKANUOBLNAX-OAHLLOKOSA-N 314.410 2.695 0 40 DFAB CN(C)Cc1ccc(CNC(=O)c2ccc(O)cc2F)cc1F 165404744 XUPKHURQHDNDHV-UHFFFAOYSA-N 320.339 2.662 0 40 DFAB CC(C)N1CCO[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)CC[C@@H]2C1 1565545570 IWJBYZZEHNSPCO-ZHALLVOQSA-N 320.477 2.691 0 40 DFAB CN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1=O 4263814 IFFJGZZKQZKPIH-UHFFFAOYSA-N 320.757 2.880 0 40 DFAB Cc1cccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)c1 8931758 WXODOIJESCUJCG-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1ccco1)CC2 75157906 RSKVIGGZVCGIIA-UHFFFAOYSA-N 321.358 2.503 0 40 DFAB C[C@H]1C[C@H](C)CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 39987690 SPUNZFPEIREIBP-RYUDHWBXSA-N 305.809 2.826 0 40 DFAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2n1CCC2 40429861 QGWYLEOVDFCLBT-MRVPVSSYSA-N 308.744 2.508 0 40 DFAB Cc1nccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)n1 40554156 HCPOYKVSMXMVJD-HNNXBMFYSA-N 313.357 2.595 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCCNC(=O)C1CC1 40535956 HPWZGJBNQZJNEP-LBPRGKRZSA-N 322.836 2.694 0 40 DFAB O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCCC1 40549671 JOKSFJMXPODPPT-UHFFFAOYSA-N 317.339 2.875 0 40 DFAB COc1cc2nc(NC(=O)c3ccccn3)sc2cc1OC 21558949 JHWMVTVNSNLEEL-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB C[C@@]1(C(=O)NC[C@@H]2COc3ccccc3O2)CC1(Cl)Cl 22689611 QARLIANRCVQXNI-RNCFNFMXSA-N 316.184 2.527 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 81251 VUTRVKPACYTNLE-UHFFFAOYSA-N 319.382 2.875 0 40 DFAB O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CCCC1 819343 GIMWXSUESPYOEH-DTQAZKPQSA-N 312.344 2.608 0 40 DFAB Cc1ccccc1NC(=O)c1nn(-c2ccccc2)ccc1=O 1394392 MUOWAIUTCXMEDA-UHFFFAOYSA-N 305.337 2.793 0 40 DFAB Nc1nc(Sc2ccc(Cl)cc2)cc(N2CCOCC2)n1 1398045 OEFHAEXAMRRTLB-UHFFFAOYSA-N 322.821 2.700 0 40 DFAB CCN(C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 1466703 WGNCJNLHDKFZQK-CYBMUJFWSA-N 322.364 2.724 0 40 DFAB Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=O)cc1 1611905 CJDBJWCEWILZLF-UHFFFAOYSA-N 300.335 2.934 0 40 DFAB CCCC[C@@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(N)=O 1752096 APFHIJURCREXLA-CZUORRHYSA-N 308.447 2.555 0 40 DFAB CCCOc1ccc(/C=C2\C(O)=NC(=O)N2C(C)=O)cc1OC 1893652 HKQBCYCZJVWHKZ-XYOKQWHBSA-N 318.329 2.764 0 40 DFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NC1CC1 3232401 NZTLIVXBMQZFLL-UHFFFAOYSA-N 314.370 2.589 0 40 DFAB CC(C)N(C(=O)COC(=O)c1ccc(Cl)cc1N)C(C)C 3275721 LRKKKKDDVDDDHO-UHFFFAOYSA-N 312.797 2.724 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2C)c1C 3287881 FHJBAKCJJDJYLK-UHFFFAOYSA-N 321.402 2.517 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2F)cc1 3316821 ZSUATQOCCKXYOG-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB O=C(O[C@H]1CCOC1=O)c1c2c(nc3ccccc13)CCCC2 3509985 JMYJGQCTYMJKGQ-HNNXBMFYSA-N 311.337 2.586 0 40 DFAB O=C(CSc1nnnn1C1CCCC1)c1ccc(F)cc1 4968005 LXYSVQTWLVPSOR-UHFFFAOYSA-N 306.366 2.902 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)cc2)cc1 5217329 OJXOJMVBNSHRIU-MRXNPFEDSA-N 313.353 2.949 0 40 DFAB biogenic C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2)C1=O 5218615 SBXULMVREYKIQC-KRWDZBQOSA-N 316.307 2.932 0 40 DFAB CC(=O)Oc1cs/c(=N\c2ccc(C)cc2C)n1C(C)=O 5375692 PGZSDGKBXCJSHN-NXVVXOECSA-N 304.371 2.984 0 40 DFAB CCCNC(=O)NC(=O)CSc1ccc2ccccc2n1 5627162 WBMNFBMAJIXCKV-UHFFFAOYSA-N 303.387 2.563 0 40 DFAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1 5694121 FVLHYWLQVARJSB-JTQLQIEISA-N 303.289 2.715 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccco2)cc1 6541359 NFIZIBLYKDYNDT-UHFFFAOYSA-N 318.398 2.989 0 40 DFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)c(C)s1 6680069 PZFPPYHXBOSCBI-UHFFFAOYSA-N 324.427 2.607 0 40 DFAB COc1ccc(COC[C@@H](O)CNC2CCC(C)CC2)cc1 6881771 CDOHCGULOBLPRV-PREGVCBESA-N 307.434 2.741 0 40 DFAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(C)c2ccccc23)cc1 6996918 DYMFMPXJSADGJZ-GOSISDBHSA-N 324.405 2.904 0 40 DFAB O=c1c2ccccc2[nH]c(=S)n1Cc1cn2ccccc2n1 7046639 LJFPAANTKWMSQZ-UHFFFAOYSA-N 308.366 2.755 0 40 DFAB COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1C 7376384 HAHKHUNPZOHTLE-UHFFFAOYSA-N 305.399 2.791 0 40 DFAB Cc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 7471541 RXVMZHCDOHQVNA-IBGZPJMESA-N 309.365 2.783 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccccc1N1CCCC1=O 7807814 XWVGHXMVAZGTLH-UHFFFAOYSA-N 312.344 2.883 0 40 DFAB CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 8132769 ZUGSFPXOJAZXLS-UHFFFAOYSA-N 318.826 2.719 0 40 DFAB COCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 8291191 PDBHPHVREPHWJH-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1F 8517412 PUYLCDMQDUVFQG-UHFFFAOYSA-N 309.406 2.929 0 40 DFAB Cc1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 9337674 FMVLETCJNSMBGE-LJQANCHMSA-N 306.365 2.889 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]1c1ccccc1)c1ccco1 9955983 SWBJQQVVHRICGX-HNNXBMFYSA-N 312.369 2.763 0 40 DFAB O=C(CSc1ccccc1)Nc1nnc(-c2cccnc2)o1 10250704 ZYFLLONIQNGBOQ-UHFFFAOYSA-N 312.354 2.862 0 40 DFAB NC(=O)[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1 11508277 RXVFMVNDFQBLSI-CQSZACIVSA-N 301.367 2.620 0 40 DFAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1ccco1 11768668 BOOHAXFTYQHPCW-UHFFFAOYSA-N 303.343 2.527 0 40 DFAB Cc1cccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccnc1)C2 12089083 PUQJDPVHRYPPBP-UFRUDQCGSA-N 323.440 2.905 0 40 DFAB COc1ccc(CCN2CCC(O)(c3cccnc3)CC2)cc1 12113232 JEIQMQGFWGOWFE-UHFFFAOYSA-N 312.413 2.616 0 40 DFAB COC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CCC2 12422417 BBNRMRJOICJHMA-UHFFFAOYSA-N 306.343 2.572 0 40 DFAB O=C(NCCCOCc1ccco1)NCCc1ccc(F)cc1 12754030 WRRUCFZJJKYJPZ-UHFFFAOYSA-N 320.364 2.867 0 40 DFAB Cc1noc(N)c1C(=O)OCc1cccc(C(F)(F)F)c1 12772831 ZMLDMEGZQIIYAB-UHFFFAOYSA-N 300.236 2.941 0 40 DFAB CSc1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 12932502 UUZIZDSKZVBYJK-IUODEOHRSA-N 322.455 2.801 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)N[C@H](CC(=O)O)c1cccs1 13389595 MNCCACAEAYFHAZ-WCQYABFASA-N 319.382 2.848 0 40 DFAB C/C=C/c1ccc(OCC(=O)NC(=O)NC(C)(C)C)c(OC)c1 14095447 LFHSYODKPHEUSX-VOTSOKGWSA-N 320.389 2.731 0 40 DFAB CC(=O)Nc1ccc(Sc2nc(C)cc(C)c2C(N)=O)cc1 14199172 LUQIBKPUXPZOMO-UHFFFAOYSA-N 315.398 2.907 0 40 DFAB Cc1cc2nc(COC(=O)c3cccc(Cl)c3)cc(=O)n2o1 15734222 GMSWQDYKTINCIJ-UHFFFAOYSA-N 318.716 2.606 0 40 DFAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc2ccccc2c1 17477693 CFGAZZDZQMUBEZ-CQSZACIVSA-N 306.365 2.879 0 40 DFAB COc1ccc2cc3c(nc2c1)O[C@@H](C)C(=O)N(C1CCC1)C3 19462005 SKWBEMIYQOIEJV-NSHDSACASA-N 312.369 2.905 0 40 DFAB O=Cc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1 20131536 XOMMUAURGFAVFK-UHFFFAOYSA-N 324.424 2.696 0 40 DFAB CCN1CCC(NC(=O)COc2cc(C)ccc2Cl)CC1 20608750 ALIARVFAMHTIPQ-UHFFFAOYSA-N 310.825 2.628 0 40 DFAB COc1ccc(CC(=O)NCCSCc2ccco2)cc1 22534581 DJUFSSKHBKBJJK-UHFFFAOYSA-N 305.399 2.880 0 40 DFAB Cc1nc2sc([C@@H](c3ccc(C)o3)N3CCCC3)c(O)n2n1 23748783 AJUJHEFFOUQJGB-GFCCVEGCSA-N 318.402 2.891 0 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C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)N2CCCCC2)o1 42677090 YMAJSJZMXFWTMF-GXTWGEPZSA-N 312.435 2.566 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 43873267 RXGVQVJTNSKLQD-UHFFFAOYSA-N 313.357 2.836 0 40 DFAB CC[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1cccc(Cl)c1 44968988 CXLYGZYECPCAIT-ZWNOBZJWSA-N 321.812 2.980 0 40 DFAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nncs1 49547125 YVHCHXJOBICLFG-UHFFFAOYSA-N 319.415 2.990 0 40 DFAB CC(C)(C)c1nc(CN[C@@H](C(N)=O)c2ccccc2)cs1 51187535 IHTSCUVLBUIQAU-CYBMUJFWSA-N 303.431 2.757 0 40 DFAB CC[C@@H](C(=O)NCCC(=O)NC1CCCC1)c1ccccc1 53324213 PZNCMRQOTLLCLH-MRXNPFEDSA-N 302.418 2.745 0 40 DFAB Cc1noc([C@@H]2CCCN([C@@H](C)c3nc(C(C)(C)C)no3)C2)n1 54676261 WTGPHDMPPPTIBL-CMPLNLGQSA-N 319.409 2.999 0 40 DFAB Cc1ccc(C)c(OC2CCN(C(=O)c3cnns3)CC2)c1 55709701 FFJNWMODAQXEMS-UHFFFAOYSA-N 317.414 2.839 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cccc(CSC)c2)CC1 58210607 JGDGDXZTGAZKQI-UHFFFAOYSA-N 321.442 2.965 0 40 DFAB CCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 58217908 YAUMDNRWCLGKHZ-LBPRGKRZSA-N 313.195 2.552 0 40 DFAB CC[C@H](C(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1c(C)noc1C 58229206 TVVBUVKMPBNAKT-SOUVJXGZSA-N 306.406 2.955 0 40 DFAB O=C(c1ccccn1)N1CCCN(Cc2ccccc2F)CC1 58231700 GZRHHUUNKHEDNM-UHFFFAOYSA-N 313.376 2.569 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)CCc2ccncc2)c(C)c1 58280120 DBETZYULMWFTDT-UHFFFAOYSA-N 304.415 2.562 0 40 DFAB c1ccc2c(c1)SCC[C@@H]2NC[C@H]1CNc2ccnn2C1 58356055 HGIFFDRONCECBY-JSGCOSHPSA-N 300.431 2.752 0 40 DFAB CCOC(=O)CCN(CC1CC1)C(=O)c1ccc(OC)cc1 64382954 YDPDTYKLDMJTGX-UHFFFAOYSA-N 305.374 2.501 0 40 DFAB Cc1nc(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)cs1 65605445 MXPJGPYDBHZDEC-UHFFFAOYSA-N 317.389 2.973 0 40 DFAB O=C(NC1CCCC1)c1[nH]nnc1Nc1ccc(Cl)cc1 67283594 ABIAITNSXGLHMP-UHFFFAOYSA-N 305.769 2.874 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)NCCc2ccc(Cl)cc2)cn1 68234176 NWRXZJOLSLIFFY-LSDHHAIUSA-N 303.793 2.536 0 40 DFAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(Nc3ccccc3)CC2)cn1 68432951 UALRGABAHRAABI-QZTJIDSGSA-N 324.428 2.627 0 40 DFAB Cc1cc(N2CCC(N(C)C(=O)c3ccccc3)CC2)nc(C)n1 69569569 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COC(=O)[C@@H](NC(=O)c1ncoc1C)c1ccc2ccccc2c1 96009019 PUVVBSUIPUHJTR-INIZCTEOSA-N 324.336 2.780 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)[C@@H](C)Oc1ccccc1 96120715 HYXIJHKJPFPIFA-CYBMUJFWSA-N 314.389 2.565 0 40 DFAB Cc1cc(NC(=O)CCCn2ccnc2C)nc(C(C)C)n1 96420507 ZSVPABHNMCJMEN-UHFFFAOYSA-N 301.394 2.832 0 40 DFAB CN(CC1(c2ccc(Br)cc2)CC1)[C@@H]1CCOC1=O 96421178 OLWCVTQWVNUDEU-CYBMUJFWSA-N 324.218 2.728 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1cccc(-c2nccn2C)c1 96434628 RQHGBDRKGIDWMT-OAHLLOKOSA-N 314.389 2.730 0 40 DFAB Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC2)c(C)o1 96472459 HACUTBKZFKSSDD-UHFFFAOYSA-N 308.378 2.570 0 40 DFAB C[C@@H]1OCCN(C(=O)NCc2csc(C(C)(C)C)n2)[C@@H]1C 96477087 FWXHIEHTWPJDLN-MNOVXSKESA-N 311.451 2.759 0 40 DFAB CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccsc1 96494145 TUNRBRGMRGUVIE-UHFFFAOYSA-N 311.451 2.570 0 40 DFAB C[C@H](N)[C@H]1CCN(Cc2cc(F)ccc2Br)C1 97047685 QLYPAJBOTYVLMR-UWVGGRQHSA-N 301.203 2.757 0 40 DFAB COCCCCS(=O)(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 97097122 VPZJIMGCBAJCIC-ZBFHGGJFSA-N 323.458 2.897 0 40 DFAB O=C1NCCN(C(=O)CC2CCC2)[C@@H]1c1ccccc1Cl 97106883 NUNSXLXAMNUMFI-OAHLLOKOSA-N 306.793 2.530 0 40 DFAB Clc1ccc([C@H]2C=C(c3ccncc3)Nc3nnnn32)cc1 102285278 DVPROUSCPSUAMV-CQSZACIVSA-N 310.748 2.778 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@@H]1C[C@H]2CC[C@H]1C2 102597918 XNXDJYRGTSBXOO-RCWTZXSCSA-N 315.339 2.993 0 40 DFAB CCCCCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102860496 NVHBGFVXDPWKSY-UHFFFAOYSA-N 319.430 2.532 0 40 DFAB COc1ccc(C)nc1NC(=O)NCc1nccn1CC(C)C 127669759 KRCKWNXQEQTRMF-UHFFFAOYSA-N 317.393 2.573 0 40 DFAB Cn1cc(C(=O)C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)cn1 187342033 ZGRDQTNZYTYOQJ-UHFFFAOYSA-N 317.364 2.569 0 40 DFAB O=C(CN1CC[C@H](O)C1)N1c2ccccc2CCc2ccccc21 193341621 WMOIOVDOTXQAPI-KRWDZBQOSA-N 322.408 2.517 0 40 DFAB O=C(CN1CC[C@@H](O)C1)N1c2ccccc2CCc2ccccc21 193341753 WMOIOVDOTXQAPI-QGZVFWFLSA-N 322.408 2.517 0 40 DFAB Cc1ccnc(NC(=O)Cc2ccccc2Br)n1 194662388 JLISGFRNAYOBJW-UHFFFAOYSA-N 306.163 2.729 0 40 DFAB Cc1ccc([C@@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218524917 MGLAGQSVAHHARW-KSZLIROESA-N 315.438 2.818 0 40 DFAB COc1cc(NC(=O)c2cccs2)cc2sc(NN)nc12 226311299 JVCVWELKWPTYKQ-UHFFFAOYSA-N 320.399 2.904 0 40 DFAB Cc1ncsc1CN1CC2(C[C@@H](OCC3CC3)CS2)C1 248029783 LOTZVFVNNFCUIO-CYBMUJFWSA-N 310.488 2.938 0 40 DFAB O=S1(=O)CCC[C@@H]1CN[C@H]1CC[C@@H](Cc2ccccc2)C1 249072478 AANPOYANEMYSQW-YESZJQIVSA-N 307.459 2.565 0 40 DFAB C[C@H]1CN(C(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)C[C@@H](C)O1 252581871 TUOFNVTVMPMLJT-QKPAOTATSA-N 310.482 2.817 0 40 DFAB Cc1nc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)cs1 257173758 WMKJILBVQYDDJK-UHFFFAOYSA-N 315.398 2.958 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2Cc2nc3ccccc3n2C)n1 257311142 UIEMAXCXCPRTPU-MRXNPFEDSA-N 309.417 2.952 0 40 DFAB C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3C(=O)CCC[C@]3(C)[C@H]1C[C@H]2O 257345825 JVYOPHXXWSMLAS-HIILLAFNSA-N 306.446 2.930 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)Oc1ccccc1 409184941 YZLAKQKOUYIGEV-HIFRSBDPSA-N 304.390 2.812 0 40 DFAB O=C1CC[C@@H](NCc2cccc3c2OCO3)[C@H](c2ccccc2)N1 519632377 XLCFNHUISMHEQM-QAPCUYQASA-N 324.380 2.525 0 40 DFAB CCOc1ccccc1NC(=O)N[C@H](Cn1cncn1)C(C)C 1775966096 SXLIRMTYINSPFD-CQSZACIVSA-N 317.393 2.523 0 40 DFAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)no1 1775967739 BEQUMYWDRFOPAE-NSHDSACASA-N 318.354 2.768 0 40 DFAB CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74085 DOHBWNPXZJMNHS-UHFFFAOYSA-N 324.446 2.846 0 40 DFAB Cc1c(Br)cccc1C(=O)NCCCCC(=O)O 88440388 SGWLVHUGSGFMBZ-UHFFFAOYSA-N 314.179 2.742 0 40 DFAB O=C1O[C@](Cc2ccccc2)(N2CCCC2=O)[C@H]1c1ccccc1 1623853 DNJDYUUIZCUUIV-ICSRJNTNSA-N 321.376 2.888 0 40 DFAB CCCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1775269 LPJZUYZLNLMKLD-JTQLQIEISA-N 320.414 2.536 0 40 DFAB COc1ccc(-c2c(C)[n+]([O-])cc(-c3ccccc3)[n+]2[O-])cc1 2228616 KSDRZYOYTCBIGA-UHFFFAOYSA-N 308.337 2.604 0 40 DFAB COC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 55149915 SIVSYOCCKUQBHH-UHFFFAOYSA-N 308.334 2.694 0 40 DFAB O=C(Nc1ccccc1F)c1c(O)n2c3c(cccc3c1=O)CC2 1241093 SOXKMCQCYTXRSK-UHFFFAOYSA-N 324.311 2.655 0 40 DFAB c1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1 1361487 VCBRBACCQARICR-UHFFFAOYSA-N 316.368 2.882 0 40 DFAB CC1(C)OC(c2ccccc2)=C/C(=C/C=[N+]2CCOCC2)O1 4718830 HTXQWMXQPDQGNV-PXNMLYILSA-N 300.378 2.808 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 43926419 AMTBOYCPONTMDS-VXGBXAGGSA-N 310.419 2.790 0 40 DFAB CCc1nnnn1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 95964977 MCDJBAPXGBXTJY-UHFFFAOYSA-N 303.753 2.901 0 40 DFAB C[C@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccc(F)cc1F 108136645 MGUBZYPGQFTAKL-JQWIXIFHSA-N 314.401 2.579 0 40 DFAB CC(C)COC(=O)N1CCC(C(=O)N2C[C@@H]3CC[C@@H]2C3)CC1 102768104 YLNDTHVGZKMTNS-UKRRQHHQSA-N 308.422 2.502 0 40 DFAB CCCCC1CCC(C(=O)N[C@@](C)(COC)C(=O)OC)CC1 84742977 JUUOLMPGHZQADO-KVULBXGLSA-N 313.438 2.677 0 40 DFAB CCC(=O)Nc1cccc(NC(=O)NCCc2ccncc2)c1 84718702 AVOVQRSJLGGDMT-UHFFFAOYSA-N 312.373 2.794 0 40 DFAB O=C(CN1CCc2sccc2C1)NCc1ccccc1F 10107186 VIRROIBWGORCBG-UHFFFAOYSA-N 304.390 2.562 0 40 DFAB COc1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1 9064245 BZDGRFMBQCGGOG-UHFFFAOYSA-N 316.382 2.836 0 40 DFAB Cc1ncsc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 58210781 GDCRVQMELUDJHM-CYBMUJFWSA-N 315.398 2.695 0 40 DFAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1F 9982387 PWPFAOGIFRHSIR-LBPRGKRZSA-N 300.333 2.950 0 40 DFAB O=C(O)CNc1ncnc2scc(-c3ccc(F)cc3)c12 58279055 NXBDWKKFBANLRV-UHFFFAOYSA-N 303.318 2.994 0 40 DFAB in-vitro CC(=O)Nc1nc(COc2ccc3ccc(=O)oc3c2)cs1 44906946 UBURIJVCSKDZKN-UHFFFAOYSA-N 316.338 2.787 0 40 DFAB Cc1cc(NC(=O)[C@@H](c2ccccc2)c2nnc(C)s2)no1 10490573 AJQUVTPUKGYAOR-CYBMUJFWSA-N 314.370 2.914 0 40 DFAB Cc1cc(NC(=O)[C@H](c2ccccc2)c2nnc(C)s2)no1 10490578 AJQUVTPUKGYAOR-ZDUSSCGKSA-N 314.370 2.914 0 40 DFAB Cc1ccc(C)n1C1CCN(CC(=O)NC2CCCC2)CC1 58404067 CJOFOEJEAPIIFU-UHFFFAOYSA-N 303.450 2.801 0 40 DFAB CC(C)N1CC[C@H](Nc2ccc(OC[C@@H]3CCOC3)cc2)C1=O 95406482 VQTQWMRXTSWPSV-PBHICJAKSA-N 318.417 2.523 0 40 DFAB Cc1cc(C)c2c(N)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 11692449 UCHBTLPSXZXSAB-QWRGUYRKSA-N 319.430 2.745 0 40 DFAB COc1cccc(/C=C/C(=O)OCC(=O)N2CCC(C)CC2)c1 2648788 XIUKPFRPQFWZPF-VOTSOKGWSA-N 317.385 2.510 0 40 DFAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)NC1CC1 46882457 OWUWALNUGBDAMC-MRVPVSSYSA-N 309.822 2.986 0 40 DFAB Cc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)cc1C 47364979 OHABIFSKWUSWHL-UHFFFAOYSA-N 318.394 2.969 0 40 DFAB C[C@]1(C2CC2)NC(=O)N(CC2(c3c(F)cccc3F)CC2)C1=O 95992644 QPDJVRBMEGLTAI-MRXNPFEDSA-N 320.339 2.717 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 48393664 VDNITEYEBQJTDZ-TXEJJXNPSA-N 305.378 2.676 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1Cc1ccco1 25374990 GXOWFMKBBGZLCS-KBPBESRZSA-N 316.401 2.996 0 40 DFAB COc1cccc(-c2nnc(CSc3nnc(C)o3)o2)c1 20034084 KBASCTQHKNHMDA-UHFFFAOYSA-N 304.331 2.729 0 40 DFAB Cc1nc(C(=O)NCc2cccs2)nn1-c1ccc(F)cc1 12883132 FSLDQQVHLWZJNH-UHFFFAOYSA-N 316.361 2.706 0 40 DFAB CN1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)C(F)(F)F 110576468 DOODRXCSYGWDOL-ZIAGYGMSSA-N 314.351 2.933 0 40 DFAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc2ccccc2c1 9143416 BWZPLTUUWPNBPL-UHFFFAOYSA-N 311.366 2.654 0 40 DFAB C[C@@H](Cn1cccn1)NC[C@@H](O)c1cc(Cl)ccc1Cl 49075858 PNTAXYRIXZDCPO-IINYFYTJSA-N 314.216 2.902 0 40 DFAB Cc1csc2nc(CN(C)c3c(F)cccc3F)cc(=O)n12 64800327 IQXKFNCUYZWAAB-UHFFFAOYSA-N 321.352 2.979 0 40 DFAB CC(C)[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C 95418735 BQHHCFXLSQQCHP-OAHLLOKOSA-N 309.381 2.851 0 40 DFAB COc1ccccc1NC(=O)N1CCC[C@H]1CN1CCCC1 65493366 GNCHEPBKXRYKGS-AWEZNQCLSA-N 303.406 2.787 0 40 DFAB O=C(Nc1cccnc1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4458542 TUYCBMZYVXTNEZ-AWEZNQCLSA-N 301.733 2.867 0 40 DFAB CC(=O)Nc1ccc(CNCCCOCc2ccco2)cc1 14138732 NUMAKUMNAWWRGY-UHFFFAOYSA-N 302.374 2.935 0 40 DFAB CC[C@H]1CN(C(=O)NCc2nc3ccccc3s2)CCO1 65613266 SJABDDLCNWRDIJ-NSHDSACASA-N 305.403 2.617 0 40 DFAB COc1ccc2c(C)c(CC(=O)N3CCCC3)c(=O)oc2c1C 4540634 CCXMGOMDERJSQE-UHFFFAOYSA-N 315.369 2.583 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 84823358 XCHDHWKIGHUQIF-NSHDSACASA-N 320.370 2.562 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1 4743538 YHJBVWOVCNSJRL-CYBMUJFWSA-N 311.223 2.663 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nccn2C)c1C 4804916 SBJNPIBEYFYNJU-SNVBAGLBSA-N 321.402 2.515 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1C 7609952 SLNPTEHOLMOZEJ-AWEZNQCLSA-N 312.369 2.884 0 40 DFAB CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2ccccc21 8047383 LIUDDRRJWVFLOE-GOSISDBHSA-N 324.380 2.809 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C)cc(C)c2)nc1 69536328 MOHLTHGQFGUUBN-UHFFFAOYSA-N 311.385 2.718 0 40 DFAB Cc1noc(C)c1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 69776251 GEPQTWCOXUAOFX-CQSZACIVSA-N 314.389 2.939 0 40 DFAB CCCc1nc(CN2CCC[C@H](Cn3cncn3)C2)cs1 69979521 SLMDDOBHTWKKCD-ZDUSSCGKSA-N 305.451 2.599 0 40 DFAB Brc1ccc(CNCCn2cnnc2C2CC2)cc1 72289956 KXHWITPFGJWGOM-UHFFFAOYSA-N 321.222 2.708 0 40 DFAB COc1ccc(NC(=O)N[C@H]2CCC[C@H]2n2ccnc2)cc1 72270816 RTGSTIDKYXYQKJ-LSDHHAIUSA-N 300.362 2.807 0 40 DFAB Cc1ccnc(NC[C@@H](c2ccc(C)s2)N2CCOCC2)n1 72290377 JTCNINHWBHGPNI-AWEZNQCLSA-N 318.446 2.640 0 40 DFAB CC[C@@H]1c2ccccc2CCN1S(=O)(=O)CCCCOC 97163786 DHEVHZLHTWCRFM-MRXNPFEDSA-N 311.447 2.752 0 40 DFAB COc1ccccc1N1CCN(c2cnc3ccccc3n2)CC1 26134657 LUZORAUCSRLISX-UHFFFAOYSA-N 320.396 2.965 0 40 DFAB CCO[C@H]1C[C@H](NC2CCN(C(=O)CC)CC2)C12CCCC2 89157844 UYDFENUBHRAVCZ-HOTGVXAUSA-N 308.466 2.715 0 40 DFAB CC(C)OC(=O)CCNC(=O)c1ccc(-n2cccc2)cc1 9932325 RUIVPIWZXTVBHL-UHFFFAOYSA-N 300.358 2.549 0 40 DFAB Cc1cc(CN(C)C(=O)c2ncoc2-c2cccs2)no1 89604730 JYCVLKMKMSLRSJ-UHFFFAOYSA-N 303.343 2.972 0 40 DFAB OC1(CNCc2ccc(Cl)c3cccnc23)CCOCC1 89807722 IFZYEAJAEPOIJW-UHFFFAOYSA-N 306.793 2.519 0 40 DFAB CCN(C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 89960851 SLSDQBNFGTWQJU-AWEZNQCLSA-N 317.433 2.817 0 40 DFAB C[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccccn1 89909959 DQPVUWVHFXHPBL-LBPRGKRZSA-N 311.341 2.529 0 40 DFAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCS(=O)CC1 76083154 YBZOJUBAXVHWAK-AWEZNQCLSA-N 322.474 2.656 0 40 DFAB COC(CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC 118975312 VFDZLYKPNNBUSC-ZDUSSCGKSA-N 319.323 2.698 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34857591 VDYVABAKTVYRMT-DJIMGWMZSA-N 314.429 2.730 0 40 DFAB Cc1cccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c1F 1558836509 IYAIJZPEYIHQKB-UHFFFAOYSA-N 324.359 2.823 0 40 DFAB Cc1csc(C(C)(C)NC(=O)c2cnn3c2C[C@@H](C)CC3)n1 522060689 MVWBPDCXJRUGQW-JTQLQIEISA-N 318.446 2.895 0 40 DFAB COc1ccc(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 30752561 TUNWNYOSMOTSLW-HZPDHXFCSA-N 318.461 2.722 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1ccc(Cl)cc1F 77659594 KQXVSDPOAKSFGU-VIFPVBQESA-N 306.790 2.715 0 40 DFAB Cc1nc(C)c(CCNC(=O)c2cccc3c2OCCO3)s1 78713260 GHTMDDLMYIBIJB-UHFFFAOYSA-N 318.398 2.504 0 40 DFAB Cc1nccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1 72378792 DMBSHGQLBGKFTI-HNNXBMFYSA-N 306.373 2.707 0 40 DFAB CCCO[C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)CC1 78671121 WMCAQQRKMWOSMJ-OAHLLOKOSA-N 305.422 2.569 0 40 DFAB COc1ncccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 31319485 DOUQRWXBVBXGPZ-UHFFFAOYSA-N 300.402 2.923 0 40 DFAB NCCSC[C@H]1CCCCN1C(=O)OCc1ccccc1 79392270 IFYKEVPVTLXFLH-OAHLLOKOSA-N 308.447 2.870 0 40 DFAB C[C@@H](O)CN[C@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 132173054 TYMUIHIUBWATRO-KBXIAJHMSA-N 312.454 2.525 0 40 DFAB Cc1csc(CN2CCOC[C@@H]2CC(=O)c2ccco2)n1 189270649 CZEHBQHBKBTDTP-LBPRGKRZSA-N 306.387 2.518 0 40 DFAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1cc(Br)cn1 226601734 PAUMLANYQOQGAD-MXWKQRLJSA-N 314.227 2.711 0 40 DFAB Cc1cc2oc(=O)cc(CN3CCOCC3)c2c(C)c1Cl 20588619 ZWYRYAAVQKFFMQ-UHFFFAOYSA-N 307.777 2.895 0 40 DFAB biogenic Cc1cccc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 570678775 BYLSSNMLVUEZJX-KXBFYZLASA-N 322.412 2.949 0 40 DFAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccno2)C1 572743192 IEJDXEGNJXHLBS-JTQLQIEISA-N 314.311 2.807 0 40 DFAB Cc1cc(C(=O)N2CCN(c3nccs3)CC2)sc1C 21472391 QJMBCBUINOAJDQ-UHFFFAOYSA-N 307.444 2.784 0 40 DFAB Cc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224205227 CYPIKYKWHGCPBI-UHFFFAOYSA-N 310.401 2.705 0 40 DFAB O=C(NC[C@]1(O)CCSC1)N[C@H]1CCCCc2ccccc21 96447334 VJZJIQLGFKKYNK-DOTOQJQBSA-N 320.458 2.621 0 40 DFAB C[C@@H](C1CC1)N(C(=O)Cn1nccc1-c1ccncc1)C1CC1 96451844 UOZLJOZTNGATRF-ZDUSSCGKSA-N 310.401 2.735 0 40 DFAB Cc1ccccc1N1C[C@@]2(CCN(C3CCOCC3)C2)CC1=O 96238651 DOEFSDQGOFPHDZ-IBGZPJMESA-N 314.429 2.603 0 40 DFAB c1ccc([C@@H]2CCCN2c2nccc(N[C@H]3CCCOC3)n2)cc1 333196382 XIIBLPIUJLACLO-IRXDYDNUSA-N 324.428 3.409 0 40 DFAB COc1cccc([C@H](C)N2CCN(Cc3ccncc3)CC2)c1 96424630 OUXKVIOAQBZPQP-INIZCTEOSA-N 311.429 2.969 0 40 DFAB CCN(C)c1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 96058794 NXIFWSLVDOVYEO-UHFFFAOYSA-N 314.408 2.673 0 40 DFAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2 95348553 HOUPTSRGTWVQAW-WBMJQRKESA-N 311.385 2.501 0 40 DFAB C[C@@H](O)CN(C)C(=O)NCC(c1ccccc1)c1ccccc1 91205967 ZIKGZWDVLGPZQF-OAHLLOKOSA-N 312.413 2.841 0 40 DFAB CN(CCO)C(=O)Nc1c(F)cccc1OCc1ccccc1 95398683 SSMUAXKVPIVVAP-UHFFFAOYSA-N 318.348 2.861 0 40 DFAB Cc1ccccc1CN1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1 96245575 JHFMAHOTOZMNLG-OALUTQOASA-N 321.424 2.594 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)c2cc(F)ccc2C)c(C)o1 96437499 TVDWPCICWLUBDC-KRWDZBQOSA-N 305.349 2.981 0 40 DFAB COc1cccc(F)c1[C@H](C)Nc1ccc2nnc(C)n2n1 96429754 ZFYZSIFXAPYQNS-VIFPVBQESA-N 301.325 2.754 0 40 DFAB CCN(Cc1cccc2c1OCCO2)C(=O)Nc1cc(C)on1 64022161 AJXGXDOCUKCXNW-UHFFFAOYSA-N 317.345 2.808 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@H]3c3nc(C)c[nH]3)cn2c1 257278657 ODCRTJGBLMEDLR-AWEZNQCLSA-N 309.373 2.652 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)cc1F 681286018 CWOXZGBTUIQTDP-ZDUSSCGKSA-N 317.364 2.588 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H]1c1cnn(C)c1)n1cnc2ccccc21 72255144 KHNJHEBELWGWGE-XJKSGUPXSA-N 323.400 2.695 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)c2ccnc(N(C)C)c2)C12CCCC2 72303475 AXEDYBJJDHBSKH-LSDHHAIUSA-N 317.433 2.615 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(c3nccn4nccc34)C2)ccn1 1776008104 YQTLUCCBSHYFDR-OAHLLOKOSA-N 323.400 2.728 0 40 DFAB C[C@H]1CCCN(c2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C 95972401 MTCFMNAHJXTOAL-QWHCGFSZSA-N 306.410 2.606 0 40 DFAB COc1cccc(CCNc2ncc(Br)cn2)c1 225218771 YWNHVTSAFDROTQ-UHFFFAOYSA-N 308.179 2.902 0 40 DFAB CSc1ncc(Br)c(N2C[C@@H](C)O[C@H](C)C2)n1 1889070783 PKDVZXJHZZEWCQ-HTQZYQBOSA-N 318.240 2.575 0 40 DFAB COC(=O)[C@]1(C(C)C)CCc2c(OC)ccc(OC)c2C1=O 5733631 CIQYNBXONJQVIW-KRWDZBQOSA-N 306.358 2.648 0 40 DFAB CCn1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)n1 13702348 OKXNWQJHTATJSH-UHFFFAOYSA-N 302.359 2.774 0 40 DFAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@H]1CCOC1 19337984 LEDYCCRLXMEMJX-LSDHHAIUSA-N 302.399 2.580 0 40 DFAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)c1cncnc1 19406496 SVHSKMXRZAXECG-LBPRGKRZSA-N 316.411 2.708 0 40 DFAB Cc1ccccc1CC(=O)N[C@@H](C)c1nnc2n1CCCCC2 29898603 LHUPXBKXCUHOFL-AWEZNQCLSA-N 312.417 2.733 0 40 DFAB O=C(COc1ccc(Cl)cc1)N1CC[C@H](OCC2CC2)C1 390830450 LFFKQBSJJXHJLA-HNNXBMFYSA-N 309.793 2.746 0 40 DFAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccccc2)C1=O 4475744 DTWVNJSSROGOON-UHFFFAOYSA-N 302.374 2.760 0 40 DFAB Fc1ccccc1CN1CCC(COc2cnccn2)CC1 1848565014 KLAUWJVHGGDKBV-UHFFFAOYSA-N 301.365 2.907 0 40 DFAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2c(nn1)CCOC2 1889119433 DZTVSLBPPNAGAV-UHFFFAOYSA-N 307.712 2.594 0 40 DFAB 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309.325 2.567 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 72238289 JJKDTBRDBVKKJQ-AEFFLSMTSA-N 314.429 2.917 0 40 DFAB Cc1noc(CN2CCN(c3cccc(Cl)c3)C[C@H]2C)n1 568175881 KIGSYCDHVJBVBY-LLVKDONJSA-N 306.797 2.742 0 40 DFAB COC(=O)[C@@]1(Cc2ccccc2Br)CCCNC1 84749216 VNNAUTKKNUAYRH-CQSZACIVSA-N 312.207 2.534 0 40 DFAB CC(C)(CN[C@H]1[C@H]2CCO[C@@H]2C1(C)C)NC(=O)OC(C)(C)C 195550662 KDEHKXYZGAYDNJ-AGIUHOORSA-N 312.454 2.693 0 40 DFAB COc1ccc([C@H](CC(=O)O)CC(=O)NCc2ccco2)cc1 226752396 DXDMJJWUJUPYBL-ZDUSSCGKSA-N 317.341 2.553 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(N)=O)CC1 141536937 ZDUJJRUYMMYSQK-UHFFFAOYSA-N 318.417 2.732 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039467 BADKSTCELMBBIQ-SJLPKXTDSA-N 320.433 2.679 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NC[C@](C)(O)c1cnn(C)c1 95423104 RBJPMZVNXMESGK-ZBEGNZNMSA-N 323.824 2.640 0 40 DFAB c1cn(Cc2noc3c2CN(Cc2ccsc2)CC3)cn1 96259768 NSYOJSQCAWHVEU-UHFFFAOYSA-N 300.387 2.539 0 40 DFAB Cc1ccc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)o1 96061080 CLWBUMUPGUJSDZ-MRXNPFEDSA-N 324.384 2.535 0 40 DFAB FC(F)(F)c1ccnc(N[C@H]2CCO[C@]3(CCSC3)C2)n1 96481055 VAALUCCTWVRSSR-JOYOIKCWSA-N 319.352 2.962 0 40 DFAB C[C@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C1CC1 96453376 LNQBMFMBWRFHFK-ZETCQYMHSA-N 308.325 2.563 0 40 DFAB C[C@@H](C(=O)N[C@H](C)c1cnn(C)c1)n1ccnc1-c1ccccc1 96486807 MBLFIKKQOVGFKV-KGLIPLIRSA-N 323.400 2.722 0 40 DFAB Cc1ccc([C@H](N)c2n[nH]c(COc3ccc(F)cc3)n2)cc1 95534118 AAHQRBGLECGQQH-INIZCTEOSA-N 312.348 2.879 0 40 DFAB O=C(NCCCO[C@@H]1CCOC1)Nc1cc(F)ccc1Cl 96462404 HZDZNBAXQLDTDY-LLVKDONJSA-N 316.760 2.796 0 40 DFAB CCC1=N[C@@]2(CC[C@@H]3CN(CC4CC4)C[C@@H]32)C(=O)N1CC1CC1 96261643 IUEPBLXZXSIBLN-JTDSTZFVSA-N 315.461 2.538 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 96422016 AGPBLZIOSYREGQ-CZUORRHYSA-N 314.389 2.904 0 40 DFAB O=C(OCCCn1cccn1)[C@H]1SCCc2ccccc21 96442041 YZWKERGYUFVHMX-HNNXBMFYSA-N 302.399 2.847 0 40 DFAB CC(C)(C)c1cc(C(=O)OCC(=O)NC2CCCCC2)no1 96425158 LQCAWTSCMYOFQC-UHFFFAOYSA-N 308.378 2.578 0 40 DFAB Cc1noc(C)c1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 257296184 RBPOSEXKSDXEMF-OAHLLOKOSA-N 322.368 2.885 0 40 DFAB Cn1nc2c(c1NC(=O)CNc1ccccc1Cl)CCC2 63658626 QGVIRFJVHRXYAE-UHFFFAOYSA-N 304.781 2.613 0 40 DFAB CC(C)n1ccc(CNCc2cn(C)nc2C(F)(F)F)n1 256051962 LHDCAXLCBKPSNT-UHFFFAOYSA-N 301.316 2.506 0 40 DFAB CCCn1cc(CN2CCCC[C@H]2c2ccnc(NC)n2)cn1 257264294 LTTNLDSJGLWXNO-INIZCTEOSA-N 314.437 2.852 0 40 DFAB O=C(NCC[C@@H](O)c1ccoc1)c1ccccc1Br 90613000 AJWWZBXHSUUISZ-CYBMUJFWSA-N 324.174 2.896 0 40 DFAB Cc1nsc(C)c1-c1noc([C@@H]2CCc3cn[nH]c3C2)n1 293175003 YXHMOHYZDXMSOP-SECBINFHSA-N 301.375 2.806 0 40 DFAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 390827972 MTFVHKSCGGCJKH-KBOKABMXSA-N 323.396 2.787 0 40 DFAB CC(C)CCC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575402669 DTTAZCIKOYKYAD-OAHLLOKOSA-N 320.458 2.983 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3cccnc3C)C2)cc1 585275155 YLQIOFYSPHTUCG-LJQANCHMSA-N 312.413 2.714 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cc2c(F)cccc2s1)C(C)C 35152347 XMNZYSZIMJGXDU-ZDUSSCGKSA-N 309.362 2.968 0 40 DFAB CS(=O)(=O)c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)cc1 96009745 YOBKRECGCJMJNL-BBRMVZONSA-N 311.447 2.833 0 40 DFAB O=C(c1ccc(Br)nc1)N1CCC(F)(F)CC1 404861880 VCJIKKCHUCDMTE-UHFFFAOYSA-N 305.122 2.715 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1C 5184332 ZUTJVCGGYCCWGE-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB Cc1cc2ncn(C[C@H](O)COCc3ccco3)c2cc1C 12595358 YSOQLVFMBNGPSK-AWEZNQCLSA-N 300.358 2.824 0 40 DFAB CCc1ccc(OCc2cc(=O)n3nc(C)sc3n2)cc1 13367576 PVJAWVPXYZPDFE-UHFFFAOYSA-N 301.371 2.601 0 40 DFAB CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 19020626 SHLZNYBFBZWTEA-LJQANCHMSA-N 324.428 2.566 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 2638415 XFSLQDITLXCTPR-ZDUSSCGKSA-N 321.380 2.674 0 40 DFAB CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(F)cc1 4942318 PKNSLQDGIRBACE-ZDUSSCGKSA-N 308.334 2.529 0 40 DFAB Cc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1 6079502 XFEATUHBCMTFSQ-UHFFFAOYSA-N 322.455 2.567 0 40 DFAB c1ccc(OCCN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)cc1 1888857159 XEINARNYFOUBIP-WMZOPIPTSA-N 309.413 2.671 0 40 DFAB Cc1cnccc1OCC1CCN(C(=O)c2cscn2)CC1 1889128220 GRBUAYBKHDWMSR-UHFFFAOYSA-N 317.414 2.778 0 40 DFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCOc1cccc(Cl)c1 20853402 JRAWZBPHJCKEKT-ZIAGYGMSSA-N 305.761 2.670 0 40 DFAB O=C(NCCCC(=O)N1CCc2ccccc21)c1ccsc1 22394270 LVDBQADTQPIDAV-UHFFFAOYSA-N 314.410 2.847 0 40 DFAB CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccccn2)c1C 568458 RVHDRUQNGWFLFD-UHFFFAOYSA-N 302.334 2.847 0 40 DFAB O=C(CCc1ccccc1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8925025 UOUVRVBGVGUOER-KRWDZBQOSA-N 322.408 2.789 0 40 DFAB COc1cccc(CN2CCC[C@@]3(CCCC(=O)N3C)C2)c1 2055814224 SSHJJSBJBYXAMR-SFHVURJKSA-N 302.418 2.672 0 40 DFAB O=C(NCc1cn(CCc2ccccc2)nn1)c1cccs1 1775968795 WLUTXXSKZIJSJY-UHFFFAOYSA-N 312.398 2.512 0 40 DFAB CCCN1CCCc2cc(CCNS(=O)(=O)CCC)ccc21 35588094 GJQNZYVMKSDUGW-UHFFFAOYSA-N 324.490 2.721 0 40 DFAB CSCC[C@@H](Nc1ncnc2sc(C)c(C)c12)C(=O)O 1820403 QENTUGHGJHLJJR-SECBINFHSA-N 311.432 2.926 0 40 DFAB C[C@@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 30395386 JHDBBURNKDYLEJ-GFCCVEGCSA-N 316.401 2.639 0 40 DFAB CC1(C)NC(=O)N(Cc2c(Cl)ccc3cccnc23)C1=O 40555735 FWGKMOVPMSYFDE-UHFFFAOYSA-N 303.749 2.719 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526570 QUCSEGTZDXGGBN-FZMZJTMJSA-N 310.419 2.790 0 40 DFAB Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)c(=O)[nH]1 40554920 YWTGQQXNHSVVTP-UHFFFAOYSA-N 312.325 2.712 0 40 DFAB CCc1ccc(C(=O)Nc2cccc(OCCC(N)=O)c2)cc1 40556322 ZEYAOEPHHKUHMY-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB C[C@H](Oc1ccccc1C(N)=O)C(=O)N1c2ccccc2C[C@H]1C 21324376 GYNDUMZQDBTMGF-OLZOCXBDSA-N 324.380 2.531 0 40 DFAB CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccccc2)C(C)C)C1 32914608 WXKLEHIBMNAJTE-QZTJIDSGSA-N 316.445 2.801 0 40 DFAB C[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cccn2)C1 54093966 VUYMXOPHLKNVJM-HNNXBMFYSA-N 312.417 2.873 0 40 DFAB COc1ccc(C(=O)N2CCCC[C@H]2c2ccc[n+](C)c2)cc1 794884 ORICTQVACSYLLN-SFHVURJKSA-N 311.405 2.887 0 40 DFAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1cccs1 905402 FLVQFFQUEVYLHB-UHFFFAOYSA-N 322.459 2.695 0 40 DFAB CC(C)NC(=O)C[C@H](C)Nc1ncnc2cc(F)c(F)cc12 78422516 VSCLTCQBXZAOLL-VIFPVBQESA-N 308.332 2.623 0 40 DFAB O=C(NC[C@@H](CCO)c1ccccc1)c1cc(F)c(F)c(F)c1 79066930 HPYPCCLQMKBCMF-GFCCVEGCSA-N 323.314 3.000 0 40 DFAB CCCCNCC(=O)Nc1ccc(C(=O)OCCCC)cc1 1672715 JZMJHUHERBEVHN-UHFFFAOYSA-N 306.406 2.972 0 40 DFAB CC(=O)Nc1ccc(NC(=O)CNC2CCC(C)CC2)cc1 6272921 CFKUJPTZMRZPMO-UHFFFAOYSA-N 303.406 2.752 0 40 DFAB CCn1c(=O)c2sccc2n(Cc2cccc(C)c2)c1=O 6679105 GCTLVKAQODCERD-UHFFFAOYSA-N 300.383 2.601 0 40 DFAB O=C(NCC[C@@H](O)c1ccccc1)c1ccc(N2CC=CC2)cc1 102695725 DWMXYZOQHUCLIH-LJQANCHMSA-N 322.408 2.916 0 40 DFAB Cn1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1 26025163 XQDRTKRSNRZVOC-UHFFFAOYSA-N 320.190 2.853 0 40 DFAB CN1C(=O)c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2C1=O 108893208 JIHHFFNEROBKCH-SDDRHHMPSA-N 312.369 2.677 0 40 DFAB Cc1noc(COc2ccc(C(=O)NC3CCCC3)cc2)n1 58218735 XCALAPCUFLHIHW-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100395169 MJSCFQBYOZURHK-UJARPBSLSA-N 322.408 2.672 0 40 DFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c(s1)CCCCC2 58377478 RYPPZOOUTKDVDJ-DGCLKSJQSA-N 320.458 2.743 0 40 DFAB CN(C)c1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cn1 29091425 FFVFPGAJPIJNQG-UHFFFAOYSA-N 323.400 2.985 0 40 DFAB COCCOc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cn1 36834818 CRIYQZYWQYIPPI-LBPRGKRZSA-N 319.188 2.629 0 40 DFAB Fc1ccc([C@H]2CN(Cc3nc(C4CC4)no3)CCO2)cc1 29659300 RYTDKUZZNHIIQL-CQSZACIVSA-N 303.337 2.660 0 40 DFAB CCCn1cc(CNCCc2ccc(OC)c(OC)c2)cn1 116911896 HRACBGWKENZILO-UHFFFAOYSA-N 303.406 2.643 0 40 DFAB O[C@@H](COc1ccccc1)COc1ccc(-n2ccnc2)cc1 95439029 CUVVCXKFVXJPEB-INIZCTEOSA-N 310.353 2.691 0 40 DFAB CCOC(=O)[C@@H](C)NC(=O)c1occc1-c1ccc(F)cc1 95433572 HAXMZGYJPDGUPV-SNVBAGLBSA-N 305.305 2.767 0 40 DFAB COc1ccccc1N/C=C\c1nnnn1-c1ccc(F)cc1 100209640 BLNFRQXEXJCBNY-KHPPLWFESA-N 311.320 2.893 0 40 DFAB CS(=O)(=O)c1cccc(OCc2cc(-c3ccco3)on2)c1 47363987 CYPDUUPIJJPAJT-UHFFFAOYSA-N 319.338 2.917 0 40 DFAB CNc1snc(C)c1C(=O)NCCc1c[nH]c2ccccc12 12607832 FXWKMANOUOJFPR-UHFFFAOYSA-N 314.414 2.947 0 40 DFAB CCOc1cc(OC)c(Br)cc1CC(=O)OC 106679869 PSQCMPMZRKEVBD-UHFFFAOYSA-N 303.152 2.572 0 40 DFAB Cc1nc(SCc2ccc(F)cc2)nc(O)c1CC(=O)O 25502718 KOZJCMTYQWBIGZ-UHFFFAOYSA-N 308.334 2.549 0 40 DFAB CCn1cncc1CN1[C@@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 100141156 BHYWDGBZSGDDRN-CZUORRHYSA-N 322.416 2.516 0 40 DFAB Cc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 48304026 FWMSLPLZHDGZOH-NRFANRHFSA-N 301.411 2.804 0 40 DFAB CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)OC)c(C)c2c1 12817807 MYDKCQBXOXBFQO-JTQLQIEISA-N 306.314 2.858 0 40 DFAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)N1CCCCC1 12946957 ZQKXLYWWDBSAMT-INIZCTEOSA-N 308.447 2.727 0 40 DFAB Cc1c(-c2ccccc2)c(=O)oc2cc(OCC(N)=O)ccc12 4340065 LKQYUTJMUIWUPJ-UHFFFAOYSA-N 309.321 2.633 0 40 DFAB biogenic Cc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)no1 65474841 ZWDSQPMVIZHFAO-UHFFFAOYSA-N 317.414 2.784 0 40 DFAB CN1CCc2ncnc(N3CCC[C@@H]3Cc3ccccc3)c2C1 65474255 ZHOAOKIJSFRKLC-MRXNPFEDSA-N 308.429 2.676 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N(C)C)cc1 14095814 QJZHSTUWIIIKKD-SJKOYZFVSA-N 312.369 2.920 0 40 DFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nccs1 14186097 MMPMXCWYELTKJG-UHFFFAOYSA-N 318.333 2.904 0 40 DFAB COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 6540930 PZGYWZZLJKEXBV-ZDUSSCGKSA-N 322.368 2.767 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1 4717878 HMCYRGFFEYDWPF-UHFFFAOYSA-N 322.364 2.854 0 40 DFAB O=C(O)CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 66442615 NAJDVFPZWFMOTE-UHFFFAOYSA-N 302.208 2.652 0 40 DFAB COCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736643 JESGLVAVPMWRJQ-UHFFFAOYSA-N 304.321 2.685 0 40 DFAB Cn1/c(=N\C(=O)c2cnc3ccccc3n2)sc2ccccc21 6980041 OOULDCZMLUKMCX-LVZFUZTISA-N 320.377 2.924 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C12CCC2 96423898 WETRSUIAROHKTE-HOTGVXAUSA-N 313.401 2.569 0 40 DFAB CC[C@H](OC)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 68220057 FBZQKRIQMVKJGQ-HNNXBMFYSA-N 301.390 2.694 0 40 DFAB O=C(NCc1cccs1)c1ccc(CN2CCCC2=O)cc1 8130982 STDLOEJGYZDEKH-UHFFFAOYSA-N 314.410 2.801 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1Cn1nc(C)cc1C 71870060 WPSKKFYZYWZZFK-CQSZACIVSA-N 316.405 2.664 0 40 DFAB Clc1ccccc1CCN1CCN(C[C@H]2CCCO2)CC1 69347997 URQHYWLKXWCATA-MRXNPFEDSA-N 308.853 2.679 0 40 DFAB CCN(CC)[C@@H](C(=O)NCCc1ccccn1)c1ccccc1 69433944 XRCKUHVHYFGHGR-GOSISDBHSA-N 311.429 2.823 0 40 DFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)/C=C/c2ccsc2)C1 69433676 PIHPEBKDWUWPJK-LLYBFZRZSA-N 320.458 2.772 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1nncn1C 69567169 CKMURPYNVDXHOK-WFASDCNBSA-N 313.405 2.643 0 40 DFAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cccc(C)n1 69705124 XZCTZCBCUGRWDN-UHFFFAOYSA-N 307.357 2.990 0 40 DFAB CC(C)(C)CCCC(=O)Nc1ncn(Cc2ccccn2)n1 69842032 JRPLSKPQFHSQAC-UHFFFAOYSA-N 301.394 2.876 0 40 DFAB CC(C)N(CCNC(=O)CCc1ccc2c(c1)OCO2)C(C)C 8724455 LYIHOGWTPQTUIE-UHFFFAOYSA-N 320.433 2.583 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H](c2ccn[nH]2)C1 72282680 AJVKIPWTFOTSQB-CZUORRHYSA-N 313.426 2.833 0 40 DFAB CCC[C@H]1C[C@H]1NC(=O)Nc1ccccc1CN1CCNC1=O 97113917 DBIVQIYYBQSNNN-SWLSCSKDSA-N 316.405 2.522 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC(C)(C)C1(C)C 72309997 BMOASNICMSODAW-ZDUSSCGKSA-N 306.406 2.681 0 40 DFAB Cc1cc2ncn(C[C@H](O)Cn3cc(Cl)cn3)c2cc1C 95438808 DCYFZIXUTOCQRK-ZDUSSCGKSA-N 304.781 2.564 0 40 DFAB O=C(Cc1c[nH]c2ncccc12)N1CCCc2cccc(O)c21 97233735 LJXCYEOASWTDOV-UHFFFAOYSA-N 307.353 2.790 0 40 DFAB COc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 95466986 USBQUMFNFIOJEG-HUUCEWRRSA-N 306.406 2.956 0 40 DFAB O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84422099 SHTYVCDLRGQDDL-RRFJBIMHSA-N 324.384 2.809 0 40 DFAB O=C(OC/C=C/c1ccccc1)[C@@H]1CCCN1c1ncccn1 84517568 CGJWPLYDDOXCNE-RDTXFTJFSA-N 309.369 2.702 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C 73271304 GOTWOXMWJUPONF-CZUORRHYSA-N 308.447 2.635 0 40 DFAB COC(=O)c1ccc(O[C@@H](C)c2ccc(C(=O)OC)o2)cc1 95984778 ZVQXIVAFXXDIQC-JTQLQIEISA-N 304.298 2.993 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1(C)C 95962810 YQIUSCJTMYIHRY-OGHNNQOOSA-N 320.437 2.502 0 40 DFAB CCCC(=O)N(C)[C@@H](C(=O)OC)c1cc(F)c(F)c(F)c1 89949352 NMNHNVHXGXZISM-CYBMUJFWSA-N 303.280 2.577 0 40 DFAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1nc(C2CC2)no1 75605120 XRMSZXFXSLESGR-NSHDSACASA-N 321.812 2.979 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNc1ccc(C(=O)N(C)C)cn1 75610809 LRNKLZOHMYGVRC-ZFWWWQNUSA-N 305.422 2.791 0 40 DFAB Cc1cnc(C(=O)NCCc2nc3ccccc3n2C(C)C)cn1 76017543 ZUWACUJHMQOHEE-UHFFFAOYSA-N 323.400 2.688 0 40 DFAB Cc1ccc([C@](C)(O)CNC(=O)N[C@H](C)Cc2cccs2)o1 76084042 HMTIGQSUSIZIGW-BDJLRTHQSA-N 322.430 2.787 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)Nc2cc(C)on2)o1 76780246 CIQPYDZGBFOKQO-LBPRGKRZSA-N 305.334 2.744 0 40 DFAB CC[C@H](C)NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707976 UHCPUINQWZGGIM-HNNXBMFYSA-N 324.424 2.849 0 40 DFAB Cc1ccc(S(=O)(=O)NC(=O)C[C@@H](C)c2ccco2)cc1C 528902365 CDNBKAYTNZFLNM-CYBMUJFWSA-N 321.398 2.895 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)cc1 36139432 SSSCGDAKSKRICC-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cnn(C)c2)n1 72355598 RENDITDBWPRUGQ-KRWDZBQOSA-N 322.416 2.646 0 40 DFAB Cc1nnc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)s1 56919359 MGXJJPKDCMRENS-UHFFFAOYSA-N 316.342 2.765 0 40 DFAB Cc1occc1C(=O)OC1CCN(c2ccc(Cl)nn2)CC1 78988974 LCUBTXFVKIOTCC-UHFFFAOYSA-N 321.764 2.857 0 40 DFAB CCOC(=O)N1CCC(NC(=O)Nc2cccc(CC)c2)CC1 43333765 OMZITTSDPYKLIE-UHFFFAOYSA-N 319.405 2.991 0 40 DFAB O=S(=O)(Cc1nc(C2CC2)n[nH]1)[C@H]1CCCc2ccccc21 125110357 LQKQBNNQYKTDRC-AWEZNQCLSA-N 317.414 2.675 0 40 DFAB O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1ccccc1 71282609 GNGPYOISEUPGPV-UHFFFAOYSA-N 314.776 2.885 0 40 DFAB O=C1CCN(Cc2ccccc2)CCN1C(=O)c1cccs1 72343222 SQIVTPKNNZSURM-UHFFFAOYSA-N 314.410 2.623 0 40 DFAB CSc1nnc(NC(=O)COc2cccc(Cl)c2)s1 40987591 BOKABPGRUYMPQP-UHFFFAOYSA-N 315.807 2.931 0 40 DFAB CCOc1ccc(C(N)=O)cc1COc1ccc(OC)cc1 224594912 GHWDUXGFOOBBDX-UHFFFAOYSA-N 301.342 2.772 0 40 DFAB Cc1cn(-c2ccccc2)nc1OCC(=O)Nc1cccnc1 226852550 DPQBAADXKAYMGA-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB COc1ccc(CC2=NN[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc1OC 228925530 RZYHVMJUGXAPDA-GUYCJALGSA-N 316.401 2.579 0 40 DFAB CC(C)(C)OC(=O)CCSCC(=O)Nc1nccs1 225642532 ZVBRXVCDEXMNMJ-UHFFFAOYSA-N 302.421 2.547 0 40 DFAB NC(=O)c1cccc(COC(=O)c2cccnc2C(F)(F)F)c1 195577742 MLMIHOSKACPYQC-UHFFFAOYSA-N 324.258 2.556 0 40 DFAB Cc1cccc(NC(=O)c2cccnc2O[C@H]2CCSC2)n1 225727102 RRQBKYIEXVAOGB-LBPRGKRZSA-N 315.398 2.922 0 40 DFAB c1ccc(CN2CC[C@H](c3nc(-c4cnccn4)no3)C2)cc1 571344499 SVDZNZUVEYRBQI-AWEZNQCLSA-N 307.357 2.516 0 40 DFAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3)cc2o1 223323858 KDWMKDVFXIGYKO-UHFFFAOYSA-N 324.745 2.575 0 40 DFAB COc1ccc(C)cc1N(C)S(=O)(=O)c1ccc(F)cc1 224912467 MDSYMZPOMUEKAV-UHFFFAOYSA-N 309.362 2.968 0 40 DFAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1cc(F)ccc1F 40285533 HKKNVHGKXHKFQG-RDJZCZTQSA-N 300.308 2.889 0 40 DFAB C[C@@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1CCC1 225639680 NUXLAFCCZFRSDB-PBHICJAKSA-N 315.461 2.984 0 40 DFAB c1ccc(CCCO[C@@H]2CCN(c3ncnc4[nH]cnc34)C2)cc1 80232821 IXQUMQIZGLGARL-OAHLLOKOSA-N 323.400 2.581 0 40 DFAB COc1cc(C)nc(NC(=S)NCCCc2ccccc2)n1 225966162 ISKNAERUKICDHF-UHFFFAOYSA-N 316.430 2.713 0 40 DFAB O=C(CCCc1ccccc1)Nc1nc([C@@H]2CCCO2)n[nH]1 95479529 FPMRYRVOCWXDQH-ZDUSSCGKSA-N 300.362 2.618 0 40 DFAB C1CCC(c2nc(CSCCN3CCOCC3)no2)CC1 96485717 UDMMYKXQGCVXBC-UHFFFAOYSA-N 311.451 2.683 0 40 DFAB CCOCCCN(c1ccc(Cl)cc1F)S(C)(=O)=O 96428815 BFHQDLBSMSMLTJ-UHFFFAOYSA-N 309.790 2.672 0 40 DFAB CO[C@@H]1CCN(c2nnc(C)s2)C[C@@H]1Cc1ccccc1 96110175 LBMBPEYAMKNWBI-LSDHHAIUSA-N 303.431 2.931 0 40 DFAB O=C(Nc1cccnc1)N[C@H]1CCN(c2c(F)cccc2F)C1 96461721 QEBQYQDKQQNWMH-LBPRGKRZSA-N 318.327 2.760 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCOC1)c1noc(-c2ccc(Cl)cc2)n1 96456501 CTRMZAVJQIOSTN-KOLCDFICSA-N 321.764 2.604 0 40 DFAB NC[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648938 RLGBCRXMAXFZDA-PMPSAXMXSA-N 321.829 2.855 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 257318593 VOPOUGXNJMPTGR-LBPRGKRZSA-N 315.421 2.759 0 40 DFAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccsc1 257321541 WCCGZQZLNHWWMU-AWEZNQCLSA-N 302.399 2.543 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)n1 253388882 DBGHRTNYZOXYSV-OWCLPIDISA-N 311.385 2.888 0 40 DFAB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1 64467632 HQRGNXXGYPJQGX-UHFFFAOYSA-N 305.355 2.582 0 40 DFAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2ccc(C)nc2)n1 257271469 MYLRNRVLHAUOHS-IBGZPJMESA-N 324.428 2.758 0 40 DFAB CC(=O)N1CCN(C(=O)c2ccsc2)[C@@H](c2ccccc2)C1 257213693 CIRPNAZDYSPMAR-MRXNPFEDSA-N 314.410 2.794 0 40 DFAB Cc1nc([C@H]2CCCCN2C2CCCC2)ncc1C(=O)N(C)C 257233192 GOFDIGFEALOVOF-MRXNPFEDSA-N 316.449 2.956 0 40 DFAB COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)nn1 283297905 YIOQPEWIHJWNMJ-UONOGXRCSA-N 319.430 2.635 0 40 DFAB CO[C@]1(C)CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 282017516 RVMQMHJVPFMFBP-GOSISDBHSA-N 315.417 2.921 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)Cc1ccsc1C(=O)O 572889505 QBXOQCDWAYRCLI-UHFFFAOYSA-N 305.355 2.807 0 40 DFAB COC(=O)Nc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 47710671 PKHFIGMRZIXVEM-QWRGUYRKSA-N 307.350 2.506 0 40 DFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 48956797 LFJAVZYWHVHKEW-AWEZNQCLSA-N 314.410 2.842 0 40 DFAB CSCCC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 60535268 LQRGOLRHOPFQRD-UHFFFAOYSA-N 306.431 2.923 0 40 DFAB CC[C@@H]1CCCC[C@H]1CN[C@H]1CCc2nc(COC)nn2C1 583651480 NMQZJBKNFAXVAS-ILXRZTDVSA-N 306.454 2.545 0 40 DFAB Cc1cc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)ncn1 585359979 SPSDEIHMVCMRAM-UHFFFAOYSA-N 319.792 2.750 0 40 DFAB CC(C)C1(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 96010043 HNAGUJJMEURWMQ-AWEZNQCLSA-N 310.438 2.607 0 40 DFAB Cc1cc(Br)ccc1CN[C@H](C)CC(=O)N(C)C 89583798 GFUJRTMMNYNEQT-LLVKDONJSA-N 313.239 2.714 0 40 DFAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1F 3387945 IWKLMVRGPJYWPO-VOTSOKGWSA-N 303.289 2.922 0 40 DFAB CSc1ccc2nc(NC(=O)C3=COCCO3)sc2c1 5299164 OUOCSJCYNCDTPK-UHFFFAOYSA-N 308.384 2.845 0 40 DFAB CC(C)OCCCNC(=O)COc1ccc2c(c1)CCCC2 152715191 HFJGWRZJVVMDRR-UHFFFAOYSA-N 305.418 2.876 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 12138978 XUUMJMMQAPWYAE-JKIFEVAISA-N 305.418 2.607 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 6940920 GBBZNYSHWOUHDW-ZDUSSCGKSA-N 320.414 2.652 0 40 DFAB COC(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 10214152 APWIMLZHVUFYBZ-UHFFFAOYSA-N 314.341 2.873 0 40 DFAB CC(C)CCNC(=O)CSc1nc(/C=C/c2ccco2)n[nH]1 10625022 RXSRBWQFGZPREY-AATRIKPKSA-N 320.418 2.823 0 40 DFAB CC[C@@H]1CO[C@]2(CCN(C(=O)c3ccc(COC)cc3)C2)C1 1565547911 PSKOKDHUYXVAHH-KBXCAEBGSA-N 303.402 2.864 0 40 DFAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100046117 JVCWLPHGDRCCOH-SUOQZLSLSA-N 309.365 2.643 0 40 DFAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 40434760 HSMDYETYICNJOH-UHFFFAOYSA-N 313.785 2.908 0 40 DFAB COc1ccc(CN(C)C(=O)NCCCOC(C)C)cc1F 40498125 QAUPTTSIISSJQI-UHFFFAOYSA-N 312.385 2.791 0 40 DFAB CC1CCN(C(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 21898470 SCBSXSCQBDSXAM-AWEZNQCLSA-N 304.390 2.560 0 40 DFAB Fc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1 534750 YNWXTQOKFQIKJB-UHFFFAOYSA-N 320.287 2.862 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)NCCn3ccnc3)s2)o1 41775439 IEFIZELAECDHTH-UHFFFAOYSA-N 316.386 2.646 0 40 DFAB O=C(c1csc(Br)c1)N1CCO[C@H]2CCC[C@H]21 42291180 DWKZCFQHODPSRZ-ZJUUUORDSA-N 316.220 2.904 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccco1 23243701 BQXISPBVUVVOQO-CYBMUJFWSA-N 312.369 2.767 0 40 DFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(C)nn(C)c1OC 79022934 GNRFHNZHWOSVFX-ZDUSSCGKSA-N 317.389 2.842 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)NCCn1cnnc1C1CC1 97165469 TZRSWKBDSNOCRB-UHFFFAOYSA-N 319.796 2.939 0 40 DFAB COCCn1ccc2cc(C(=O)NCCc3ccccn3)ccc21 79493333 VZIKXYWXYHSMJM-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB COc1cc2c(cc1OC)CN(Cc1c(C)noc1C)CC2 42976139 TWQWTIHUNOIGNJ-UHFFFAOYSA-N 302.374 2.867 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCSCC2)c1 2692789 YSCFQXUHEIZABD-OAHLLOKOSA-N 309.475 2.907 0 40 DFAB Cc1cccn2cc(CSc3nnnn3-c3ccccc3)nc12 7049074 OQQZYGLCMMQAOS-UHFFFAOYSA-N 322.397 2.911 0 40 DFAB COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c(C)c1 7603722 AIMGBKGSIONPTE-GHXNOFRVSA-N 306.343 2.913 0 40 DFAB O=C(COc1ccccc1)NCc1ccc(CN2CCCC2)cc1 7923705 OMBRBWSZNUEHOS-UHFFFAOYSA-N 324.424 2.978 0 40 DFAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)(F)F)[nH]c1=O 106638240 LDJUDHZFLFBXLO-LPEHRKFASA-N 314.307 2.560 0 40 DFAB Cc1ccsc1CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 25720935 VXWGZJOCQVFFEJ-GFCCVEGCSA-N 318.373 2.938 0 40 DFAB Fc1ccc(-c2nc3sccn3c2CN2CCNCC2)cc1 22465078 UUOBNIASKHZSRT-UHFFFAOYSA-N 316.405 2.607 0 40 DFAB Cc1cc(C)c(C)c(S[C@@H](C)C(=O)N2CCNC2=O)c1C 27071593 RNBYIRWVRKIPFJ-ZDUSSCGKSA-N 306.431 2.953 0 40 DFAB CCc1cccc(CC)c1NC(=O)NCCCN1CCCC1=O 58265973 JNHLJDBZPGZCEU-UHFFFAOYSA-N 317.433 2.945 0 40 DFAB Cn1cc(/C=C/C(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58210072 QUNISAFTAOKQCY-NSCUHMNNSA-N 320.324 2.960 0 40 DFAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CCCO1 44935274 URWWWARYXMSVLT-OAHLLOKOSA-N 316.332 2.808 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCc2cccnc2N(C)C)o1 44951228 QTNCNKLIWGWXAV-GFCCVEGCSA-N 302.378 2.609 0 40 DFAB Cc1nc(C)c2c(C)c(C(=O)N[C@H](C)[C@H]3CCCO3)sc2n1 27893300 XVVHEYXOWJTNRJ-BXKDBHETSA-N 319.430 2.914 0 40 DFAB CC[C@@H](NC(=O)N[C@H]1CCc2c(F)cccc21)c1noc(C)n1 84734865 UGJHLYRPFBAYOI-KGLIPLIRSA-N 318.352 2.955 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 47947534 HPSVQOCBYCKIBV-NSHDSACASA-N 307.350 2.508 0 40 DFAB COc1ccc(OC)c([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)c1 62001655 WYZHVMFGJGFGFV-HKUYNNGSSA-N 324.380 2.628 0 40 DFAB biogenic O=C(NC[C@H]1CCCO1)c1c[nH]c2ccc(Br)cc12 58338558 MBYZLHMGCJUPQD-SNVBAGLBSA-N 323.190 2.839 0 40 DFAB C[C@@H](OC[C@H](O)CNC(=O)c1ccc(F)cc1)c1ccccc1 58306313 HZOYQYUMJLVSEG-CXAGYDPISA-N 317.360 2.694 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1CN1CCCC1 58307804 JWQWLAAPLULHRP-QGZVFWFLSA-N 304.409 2.845 0 40 DFAB CN1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2)CC1 58412635 GKLMPJBFUAZMEC-UHFFFAOYSA-N 302.752 2.642 0 40 DFAB CNc1snc(C)c1C(=O)NC[C@H](C)N(C)c1ccccc1 58441330 DVWBDYOYFWMORO-NSHDSACASA-N 318.446 2.748 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 28693135 SVDBJVPWWZYZPM-UHFFFAOYSA-N 315.804 2.693 0 40 DFAB O=C(CC[C@H]1CCCO1)NCCCc1nc2ccccc2[nH]1 28938134 AMQOGOPKCGSUQF-CYBMUJFWSA-N 301.390 2.571 0 40 DFAB CCNC(=S)N[C@H]1CCCc2c1cnn2Cc1ccccc1 46416306 CJBUBQWEABTVQV-HNNXBMFYSA-N 314.458 2.793 0 40 DFAB Cc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(N)c1 20154032 IOMXKAORNMRUEG-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB COc1ccc(NC(C)=O)cc1OCc1cn2ccccc2n1 48206356 RTCMSYAQEFTQRZ-UHFFFAOYSA-N 311.341 2.880 0 40 DFAB CC(C)n1nccc1NC(=O)CN(C)Cc1ccccc1F 48249325 OFRHPRSSOCBALL-UHFFFAOYSA-N 304.369 2.674 0 40 DFAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2O)c(C)c1 12796085 UQWLVRPFDPZGOP-UHFFFAOYSA-N 312.369 2.686 0 40 DFAB Cc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)n1 48346530 HLFADFXFSKTSJX-UHFFFAOYSA-N 312.341 2.998 0 40 DFAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H]1CCOC1 48333447 QUXLWZDIDTZLIE-GFCCVEGCSA-N 318.348 2.566 0 40 DFAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)o1 12815297 AELNEMWJNLYYQJ-SSDOTTSWSA-N 313.329 2.626 0 40 DFAB COc1ccccc1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 12822203 ORXLOJPVJIPQPS-MRXNPFEDSA-N 317.772 2.969 0 40 DFAB Cc1nc(-c2ccccc2)ccc1C(=O)OCCC(=O)N(C)C 96002337 BPUABTQFHDJJKB-UHFFFAOYSA-N 312.369 2.692 0 40 DFAB O=C(O)CCN(Cc1ccccc1)C(=O)c1ccccc1F 13428967 VSMOOHVZSVQOKB-UHFFFAOYSA-N 301.317 2.943 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl 4157273 IEHAZZSMZGWLDQ-JLUCKKNBSA-N 316.788 2.825 0 40 DFAB Cc1cccn2cc(CNC(=O)CCC(=O)c3ccccc3)nc12 71435487 AUHBFIFUAHNZIK-UHFFFAOYSA-N 321.380 2.922 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)CCc2cccs2)c1 14023511 KDBCCQJFSMDUAG-UHFFFAOYSA-N 309.412 2.723 0 40 DFAB O=S(=O)(Cc1ccccc1F)C[C@H]1COc2ccccc2O1 65578276 NCCFWDMKZAAVPL-CYBMUJFWSA-N 322.357 2.581 0 40 DFAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1 20107765 JZWUBAFURNLXGZ-CQSZACIVSA-N 312.866 2.985 0 40 DFAB CC[C@H](NS(=O)(=O)c1cccc2nonc12)c1ccccc1 14219564 JBNZRTLIMWUNSE-LBPRGKRZSA-N 317.370 2.652 0 40 DFAB C[C@H](NC(=O)c1ccccc1F)c1ccc(-n2cncn2)cc1 6541053 ZFJOMTXDMIGYFX-LBPRGKRZSA-N 310.332 2.897 0 40 DFAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(C)c(C)s1 14778962 UWSLWRZAMCDFKJ-UHFFFAOYSA-N 313.382 2.825 0 40 DFAB Cc1ccc(O)c(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)c1 5679528 ASSDQGOAQRQBMN-CYBMUJFWSA-N 319.401 2.942 0 40 DFAB CC1CCC(NC(=O)COc2ccc(Cl)cc2C(N)=O)CC1 7022707 OTNZROYZAODGSL-UHFFFAOYSA-N 324.808 2.513 0 40 DFAB COc1cccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1 20141388 XRHLQMAYUYFASU-UHFFFAOYSA-N 301.298 2.660 0 40 DFAB O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCOC1 96489987 GUJVNTIDFXJDLS-JQWIXIFHSA-N 305.271 2.972 0 40 DFAB Cc1cc(C)c(NC(=O)CSc2cnnc(O)n2)c(Cl)c1 15831105 LOKXACYCGBEURX-UHFFFAOYSA-N 324.793 2.578 0 40 DFAB Cc1cc(C)cc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)c1 20144076 VJXIDTKCNLZPAI-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)no1 7628792 VMDJVTJHMCKCLB-SNVBAGLBSA-N 320.370 2.874 0 40 DFAB CCSc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 68753422 MWHSJLTVTMBVKQ-UONOGXRCSA-N 305.447 2.550 0 40 DFAB Cc1n[nH]c(=O)nc1Nc1ccc(Cl)c(C(F)(F)F)c1 7998518 LVTUFPZLHYELFN-UHFFFAOYSA-N 304.659 2.889 0 40 DFAB Cc1ccccc1CNC(=O)COC(=O)c1ccc(F)cc1F 8067496 UHFDUNFLSRGQKF-UHFFFAOYSA-N 319.307 2.746 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1c1nc2ccccc2o1 71810954 YPOXKYKJFILCAG-CQSZACIVSA-N 311.341 2.706 0 40 DFAB Cc1nc(C(=O)N2CCC[C@H](C)C2)nn1-c1ccc(F)cc1 16642478 IGDXDPTWVQDVHS-NSHDSACASA-N 302.353 2.587 0 40 DFAB O=C(Nc1n[nH]c(N2CCCCC2)n1)c1cccc2ncccc12 69491419 QJDLBMUJWGTVTD-UHFFFAOYSA-N 322.372 2.596 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 69493172 AQGXOOIZKBERQY-SJORKVTESA-N 324.428 2.571 0 40 DFAB CC(C)c1noc([C@H](C)Sc2nnnn2CC(F)(F)F)n1 69417033 OBXYHMDLDZRSFU-LURJTMIESA-N 322.316 2.595 0 40 DFAB Cc1ccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 69598850 UXRGXKVGNPCSKY-AWEZNQCLSA-N 316.405 2.603 0 40 DFAB CC(C)c1nn(CN2CCCC[C@@H]2C2OCCO2)c(=S)o1 71920466 FLXQMJBUFKTOBJ-LLVKDONJSA-N 313.423 2.514 0 40 DFAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2[nH]cnc2c1 8718776 OENDMRMVEBWSON-UHFFFAOYSA-N 305.297 2.865 0 40 DFAB CN(C)C(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 72286551 RRBRUBQVFCUVLC-CQSZACIVSA-N 312.866 2.908 0 40 DFAB COc1ncnc2c1CN(Cc1cccn1CCC(C)C)CC2 92808346 VFLUFKODHCFFFP-UHFFFAOYSA-N 314.433 2.891 0 40 DFAB COc1ccc(C)cc1[C@@H](C)NCc1c(C)nn(CCO)c1C 97159808 XKYFDKUTLCXWPP-CYBMUJFWSA-N 317.433 2.660 0 40 DFAB COc1cccc(Cl)c1CC(=O)N1CCOc2ccncc21 97378929 XZFFLFMESRGHKV-UHFFFAOYSA-N 318.760 2.712 0 40 DFAB CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1 95458833 QVRABDNBGBIEPU-UONOGXRCSA-N 314.385 2.893 0 40 DFAB CCS(=O)(=O)N1CCC[C@H]1c1ccccc1Br 84811560 DRWFRWZKUBRAKH-LBPRGKRZSA-N 318.236 2.936 0 40 DFAB Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1=O 95954765 CLSSTLKEEOOKSX-DLBZAZTESA-N 310.397 2.842 0 40 DFAB CC[C@H](CSC)NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 95984191 AAIAVCHYYZRXFK-RBSFLKMASA-N 308.447 2.957 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1N[C@@H]1CCCN(c2ccccc2)C1=O 95961084 UMFHKPSWSTVDKO-HZMVEIRTSA-N 314.429 2.585 0 40 DFAB CC(C)Nc1ncccc1C(=O)Nc1cccc([S@@](C)=O)c1 74364606 INNPMPYVXSFPLL-QFIPXVFZSA-N 317.414 2.892 0 40 DFAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccn1 75117460 DJGTUMDIILVSDL-CYBMUJFWSA-N 319.364 2.928 0 40 DFAB Cc1cc(OC(=O)C(C)(C)S(C)(=O)=O)cc(C)c1Cl 75137812 AVOBOJINWXDJLP-UHFFFAOYSA-N 304.795 2.685 0 40 DFAB O=C(NCCNc1ccc(O[C@@H]2CCOC2)cc1)C1CCCC1 89793143 RRQJSMGDAWUEKL-QGZVFWFLSA-N 318.417 2.573 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(Cl)s1 89930511 UMRYCMNZEPJYOI-CHWSQXEVSA-N 313.854 2.772 0 40 DFAB Cc1cc(C)cc([C@@H](O)CN2CCC[C@@H]2c2noc(C)n2)c1 76042851 GBTHUYUZTUPXKO-CVEARBPZSA-N 301.390 2.865 0 40 DFAB COCCN1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 409125120 CCOMVTUGAGKQHZ-ORRXZRLISA-N 319.382 2.934 0 40 DFAB Cc1cnc2c(S(=O)(=O)N3CC[C@H]3C(C)C)cccc2c1 521547444 UOCHMGPQBKHMGE-AWEZNQCLSA-N 304.415 2.962 0 40 DFAB O=C(Nc1cc(-c2cccs2)[nH]n1)[C@H]1CC12CCOCC2 530645410 MFSGVEFGCCQVFK-SNVBAGLBSA-N 303.387 2.893 0 40 DFAB CCOC(=O)C1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 73846793 VAZIVHIONLLITJ-TZMCWYRMSA-N 319.376 2.873 0 40 DFAB CCCn1nc(C(=O)Nc2cccc3c2CCCC3)ccc1=O 36821948 VGRJJQKTKNYFDD-UHFFFAOYSA-N 311.385 2.784 0 40 DFAB COc1ccc(CN2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1 72393825 DJVMBFUUQGVVQW-CQSZACIVSA-N 323.400 2.741 0 40 DFAB Cc1cncc(C2CCN(C(=O)c3scnc3C)CC2)n1 72385736 UNEKTCFILPIXGM-UHFFFAOYSA-N 302.403 2.570 0 40 DFAB CCCC[C@@H](CC)C(=O)N1C(=O)CN(C)C(=O)c2ccccc21 40385863 RUMHPJIRLGSTFZ-CYBMUJFWSA-N 316.401 2.848 0 40 DFAB COCc1cccc(S(=O)(=O)N(C)Cc2cccs2)c1 71195369 UYEBNTUAVUYJQS-UHFFFAOYSA-N 311.428 2.715 0 40 DFAB COCCOCC(=O)NCC(C)(C)c1ccc(F)cc1Cl 79041216 VWBYVCSRIVOLNC-UHFFFAOYSA-N 317.788 2.536 0 40 DFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCC 224878746 IWYARQKFGDCFEL-CYBMUJFWSA-N 308.397 2.869 0 40 DFAB COc1ccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224296905 YRRAZNZNGKJBNO-UHFFFAOYSA-N 315.377 2.812 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCCCC2)cc1C 225547357 TXXTVKOSRSUODR-UHFFFAOYSA-N 318.461 2.928 0 40 DFAB CCc1ccccc1CNC(=O)N1CC[C@H](C(=O)OC)[C@@H](C)C1 190823074 JQSSYUDNNSFVGR-BBRMVZONSA-N 318.417 2.590 0 40 DFAB CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1cnc2ccccc2c1 131312645 VJWYYMYGQNFHDW-ACJLOTCBSA-N 300.402 2.691 0 40 DFAB Cc1ccc(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)nc1 576153728 HXTRMDQKEVADQN-QGZVFWFLSA-N 316.449 2.550 0 40 DFAB O[C@H]1Cc2ccccc2[C@@H]1NCc1cccc2c1OCCCO2 85333679 CKDPGLXFTDXOAH-WMZOPIPTSA-N 311.381 2.596 0 40 DFAB CC1(C)CNCC[C@@H]1NC(=O)c1cc(-c2ccccc2)ns1 573435624 FHFGRTIXCMHBKN-HNNXBMFYSA-N 315.442 2.928 0 40 DFAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)cc1 96161729 VCICYTHSXMWENW-KDURUIRLSA-N 321.424 2.594 0 40 DFAB Cc1cccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)c1 96109919 RAUDUXBOGFBXKI-KRWDZBQOSA-N 316.445 2.597 0 40 DFAB CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCc2nc(COC)nn2C1 583651482 NMQZJBKNFAXVAS-QLFBSQMISA-N 306.454 2.545 0 40 DFAB CN1C(=O)C[C@@H](NCc2ccccc2Cl)[C@@H]1c1cccnc1 583616652 ZCKFNAJFYCITBM-WBVHZDCISA-N 315.804 2.797 0 40 DFAB O=C(O)[C@H]1CCCN(c2cc(C(F)(F)F)nc(C3CC3)n2)C1 96516943 CDSRAVQEPRNCGD-VIFPVBQESA-N 315.295 2.674 0 40 DFAB CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCC[C@H]2N1Cc1ccccc1 95951497 IPLVJTLXCKXGHG-FRQCXROJSA-N 315.413 2.952 0 40 DFAB biogenic O=C(NC[C@@]1(O)CCSC1)N[C@@H]1CCCCc2ccccc21 96447337 VJZJIQLGFKKYNK-WBVHZDCISA-N 320.458 2.621 0 40 DFAB O=C(NC1CC=CC1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 95463084 NIPANQXLFKGXBP-CABCVRRESA-N 308.328 2.813 0 40 DFAB C[C@H](Cc1cccc(F)c1)NC(=O)NC[C@H](O)c1ccsc1 96417786 SYOQYNGOVVMCEF-ABAIWWIYSA-N 322.405 2.851 0 40 DFAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)N2CCCC2)Oc2ccccc21 248073067 YUBLAKCRLAIHHY-WKCGWZECSA-N 311.381 2.669 0 40 DFAB c1cnc(CC[C@@H]2COCCN2Cc2ccc3cc[nH]c3c2)cn1 257289036 PWSIIYVRLFSCKW-GOSISDBHSA-N 322.412 2.792 0 40 DFAB Cc1cnccc1CCNC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 270778349 GRQRFKBKWHDBCA-HOTGVXAUSA-N 319.449 2.825 0 40 DFAB CCCN(CC(=O)O)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 655537937 AVZDEYBMFMIKNG-ZDUSSCGKSA-N 311.765 2.625 0 40 DFAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099919 YLGVSKUURZKPKX-XYJFISCASA-N 308.466 2.811 0 40 DFAB Nc1cc(F)ccc1-c1nnc(-c2ccc(F)cc2)c(O)n1 69982223 GZFAWWURADOSBE-UHFFFAOYSA-N 300.268 2.772 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCc2coc(-c3ccccc3)n2)cn1 69950154 WDUFQZKUKXWSGK-HOTGVXAUSA-N 323.352 2.922 0 40 DFAB C[C@@H](NCc1csc(-c2ncccn2)n1)[C@@H](C)n1cccn1 69655969 VBFGFFQUWXBRMX-VXGBXAGGSA-N 314.418 2.536 0 40 DFAB CCCc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)n[nH]1 32730570 YFCDFXBGTDIONP-INIZCTEOSA-N 318.396 2.534 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)NCC(C)(C)C[C@H](C)O 76066349 UJAMALNQSUILOT-NSHDSACASA-N 310.442 2.999 0 40 DFAB CCn1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2ccccc21 89305400 ZEAIWFMTENVAIG-UHFFFAOYSA-N 323.396 2.896 0 40 DFAB CC1([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)OCCO1 96501902 SCLLMIJAUXKCDI-LBPRGKRZSA-N 308.353 2.833 0 40 DFAB CCOc1ccccc1NC(=O)NC1(C(=O)O)CCCCC1 13563180 FNPNHPJHSGMZEF-UHFFFAOYSA-N 306.362 2.994 0 40 DFAB CC1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 9659422 KYAJUXAOVZRGDR-UHFFFAOYSA-N 323.462 2.929 0 40 DFAB C[C@]1(CO)CCCN1C(=O)c1ccc(Oc2ccccc2)cn1 562525364 BOPJKSHSGGOLNR-GOSISDBHSA-N 312.369 2.861 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc(F)c2)c1 3609612 OFKWIIQBJOBKBK-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB CSc1ncc(C)c(N2CCN(Cc3ccccc3)CC2)n1 1888879084 XZOCWCKFLQJLDM-UHFFFAOYSA-N 314.458 2.829 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(F)c2)c1C 23075051 IORMGKKZXUJGAU-UHFFFAOYSA-N 305.305 2.914 0 40 DFAB O=C(NCCc1ccccc1Cl)C(=O)Nc1ccccc1 3153231 IPUMNAORHNYGGN-UHFFFAOYSA-N 302.761 2.637 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@H](O)c1ccc(-c2ccco2)o1 1775965662 IRLAOBJCHFYYJI-LJLILKBBSA-N 313.309 2.996 0 40 DFAB CCC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 50651531 ZETFMKYQPNLDSL-JTQLQIEISA-N 315.373 2.679 0 40 DFAB CN(Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccc(Cl)cc1 40497406 YORNDUBDWPQPOK-MRXNPFEDSA-N 318.804 2.604 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)c1cccc(-n2cnnn2)c1 20427745 FKQHTGNMJPZPEP-ZDUSSCGKSA-N 301.394 2.607 0 40 DFAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccccc1 32295179 JZOWZMSAEPAHEA-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB CN(C)[C@H](CNC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 32819410 UTNYBFZCIULIHS-ZWKOTPCHSA-N 324.424 2.657 0 40 DFAB Cc1nc(C2(NC(=O)c3c(C)noc3C)CCCCCC2)no1 32818874 WGMFPFNAHVCMEM-UHFFFAOYSA-N 318.377 2.962 0 40 DFAB C/C(=C\C(=O)N[C@H](C)c1nncn1C)c1ccccc1Cl 103866647 FCPPCUUIMBFSML-RJCSOLBVSA-N 304.781 2.749 0 40 DFAB C[C@]1(C(=O)Nc2cccnc2-n2cccn2)CC1(Cl)Cl 23177222 DTMBCYBPMHKFPX-GFCCVEGCSA-N 311.172 2.790 0 40 DFAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 104653622 FRJBBBSYXLEGPR-OWTLIXCDSA-N 314.385 2.572 0 40 DFAB COc1cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21 122414 WPMRRCJXEGCUMU-UHFFFAOYSA-N 316.382 2.899 0 40 DFAB CC[C@@](C)(NC(=O)c1ccc(-c2ccco2)nc1C)C(=O)OC 71186236 AIFHTALCVNRLTE-QGZVFWFLSA-N 316.357 2.722 0 40 DFAB C[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1cccs1 78052243 STSVYWSLIADPAG-JTQLQIEISA-N 313.386 2.681 0 40 DFAB O=C(CCc1ccccc1Cl)NCCCNc1ncccn1 42756937 IKRIRPJTVCUUJS-UHFFFAOYSA-N 318.808 2.681 0 40 DFAB O=C(NCCN1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 78353291 FQVNJQTTXYNVPZ-UHFFFAOYSA-N 311.429 2.872 0 40 DFAB O=C(NC[C@H]1CCCO1)c1cc(-c2cccc(Cl)c2)[nH]n1 24959809 NYXYVKVROBTOTO-GFCCVEGCSA-N 305.765 2.639 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 4650973 UVMZXUCARQBRNW-IEHFGQBSSA-N 313.397 2.927 0 40 DFAB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCc1ccco1 25053637 BVPZRLUBFUIRKH-UHFFFAOYSA-N 323.324 2.843 0 40 DFAB Fc1ccccc1CNn1c(-c2ccncc2)n[nH]c1=S 7602072 FUCRABGCDMDLJL-UHFFFAOYSA-N 301.350 2.885 0 40 DFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(F)c(F)c2)c1 10032143 OTBAKLGSKSIVIW-UHFFFAOYSA-N 320.295 2.941 0 40 DFAB CN1CCN(c2ccccc2CNCc2cccs2)CC1 72275610 SOOBEPVGEZNRHK-UHFFFAOYSA-N 301.459 2.790 0 40 DFAB CCCCNC(=O)C[S@](=O)Cc1ccc(F)cc1Cl 58132263 YZHJUZTXURMXIW-IBGZPJMESA-N 305.802 2.644 0 40 DFAB CCC(C)(C)NC(=O)c1ccc(NCC(=O)N(C)C2CC2)cc1 58197265 YSFLRPILHRCEEB-UHFFFAOYSA-N 317.433 2.638 0 40 DFAB O[C@@H](CN1CCC(c2cc[nH]n2)CC1)c1cc(F)ccc1F 58229298 ZPZSWQQEDCRIPR-INIZCTEOSA-N 307.344 2.601 0 40 DFAB CC(C)N1CC[C@@H](CNC(=O)CCc2cc(F)ccc2F)C1 58210306 MCRSBTAXOCJVQS-ZDUSSCGKSA-N 310.388 2.744 0 40 DFAB CN(C)C(=O)Nc1ccccc1NC(=O)/C=C/c1ccccn1 58228607 OZYPNLOAHFFUOM-ZHACJKMWSA-N 310.357 2.827 0 40 DFAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 44911585 KNHZAKDXXYTXTQ-SNVBAGLBSA-N 322.771 2.627 0 40 DFAB COc1ccc(CN(C(=O)[C@H](C)SC)C2CC2)c(OC)c1 44935236 APKAMIFGYHAMKY-NSHDSACASA-N 309.431 2.946 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2nc(-c3ccccn3)no2)on1 44975803 KBWQLQGZHAXJHI-CYBMUJFWSA-N 311.345 2.765 0 40 DFAB O=C(NC1CCOCC1)N1CCC[C@@H]1Cc1cccc(F)c1 84372384 PACRVYURULGLTQ-MRXNPFEDSA-N 306.381 2.721 0 40 DFAB C[C@H](Nc1nc2ccccc2s1)C(=O)N1CCSCC1 58371064 UVAWYNKCPNFMER-JTQLQIEISA-N 307.444 2.672 0 40 DFAB O[C@H](CSc1nnnn1Cc1ccccc1)c1ccccc1 10422025 ORQBRKXHJCQGPG-OAHLLOKOSA-N 312.398 2.547 0 40 DFAB CCN(CC)c1ccc(NC(=O)CN2CCSC2=O)cc1 12527324 WIKONYCDCBYUGW-UHFFFAOYSA-N 307.419 2.640 0 40 DFAB CCOCCCNC[C@H](O)COc1c(Cl)cccc1Cl 2624407 SJNRQTQTASREJG-NSHDSACASA-N 322.232 2.749 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccc(Cl)nc2)n1 3293562 UADKJUJSOLBYRK-UHFFFAOYSA-N 311.750 2.621 0 40 DFAB COC(=O)[C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 48252983 KBPSTIIEDLFBDF-OAHLLOKOSA-N 303.358 2.534 0 40 DFAB CC(=O)c1csc(C(=O)N[C@H](c2nccc(C)n2)C2CC2)c1 95450814 XSVQDIVNNMJMLI-AWEZNQCLSA-N 315.398 2.930 0 40 DFAB COc1cc(CCC(=O)Nc2nccs2)cc(OC)c1OC 3549668 PAYZAWSSYJABMH-UHFFFAOYSA-N 322.386 2.740 0 40 DFAB CCOC(=O)CC1(N(C)C(=O)c2ccccn2)CCCCC1 72295393 OTOKUTPJQDQPRD-UHFFFAOYSA-N 304.390 2.810 0 40 DFAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(Cl)s1 49347396 CSPJPMRVBZBTHR-MNOVXSKESA-N 317.838 2.992 0 40 DFAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H](c3nccs3)C2)n1 72297157 WMCDPWKJCNCTBS-JTQLQIEISA-N 322.821 2.915 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cn2ccccc2n1 72234014 STPFORYHFBNWSL-OAHLLOKOSA-N 323.400 2.662 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(CO)c2ccccc21 4335239 GSICQWIHQDLBLI-BFYDXBDKSA-N 316.445 2.757 0 40 DFAB COc1ccnc(N2CCC[C@H]2c2c(C)nn(C)c2Cl)n1 72276547 IUNAHGALDBXCKM-JTQLQIEISA-N 307.785 2.522 0 40 DFAB CC(C)CCOc1ccc([C@H](C)NC(=O)Cn2cncn2)cc1 65607677 KUJYNSYTKGMZQL-AWEZNQCLSA-N 316.405 2.580 0 40 DFAB CCN(CC)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 4591231 PCAPQOSJHMCLHD-DTQAZKPQSA-N 312.369 2.919 0 40 DFAB Cc1nc2cc(C(=O)OCCOc3cccnc3)ccc2n1C 97113045 PJGVFVONGHTROP-UHFFFAOYSA-N 311.341 2.513 0 40 DFAB O=C(CCCOc1ccc(Cl)cc1Cl)Nn1cnnc1 4834585 JTNKXIDQFCEJJH-UHFFFAOYSA-N 315.160 2.514 0 40 DFAB CN(C(=O)Nc1ccccn1)[C@@H]1CCCN(c2ccccc2)C1=O 96406791 WQWOCYKNTAVANG-OAHLLOKOSA-N 324.384 2.741 0 40 DFAB Cc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 7180163 NCIUEYWXQIIVKW-LBPRGKRZSA-N 305.428 2.959 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 7221204 HEQMIGGBZMCDJP-LLVKDONJSA-N 314.341 2.863 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 67801281 PQFMAQKAXRBBJD-CQSZACIVSA-N 322.380 2.955 0 40 DFAB COCCn1ccc2cc(NC(=O)NC[C@H]3CCCO3)ccc21 71803406 NUWNDBONQGIJLK-OAHLLOKOSA-N 317.389 2.588 0 40 DFAB Cc1cc(C)n2nc(C(=O)Nc3cccc4cccnc34)nc2n1 9646247 OHLRBCFTEGEHCK-UHFFFAOYSA-N 318.340 2.542 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1ccn(CCc2ccncc2)n1 69391096 DWXQXSFODOUQOK-UHFFFAOYSA-N 324.359 2.841 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 69396973 MXBTVXHJNCTMSX-NWDGAFQWSA-N 318.343 2.947 0 40 DFAB COc1ccc(CNC(=O)N2CCCC[C@H]2C)c(OC)c1OC 69393012 XTXKGQGEFXMARE-GFCCVEGCSA-N 322.405 2.796 0 40 DFAB CCn1c(CSc2nnnn2C2CC2)nc2c(F)cccc21 69568708 YIOISFPDCZCEKM-UHFFFAOYSA-N 318.381 2.809 0 40 DFAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc[nH]n1 72302516 AZSWYEAWSVXCMA-MRXNPFEDSA-N 308.341 2.794 0 40 DFAB Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 69779307 AMMFILYEPDNXFF-HZPDHXFCSA-N 323.396 2.591 0 40 DFAB C[C@H]1C(=O)N(CC(F)(F)C(F)F)C(=O)N1c1ccc(F)cc1 69738103 LUBZNNMLUAPJIC-ZETCQYMHSA-N 322.233 2.883 0 40 DFAB Cc1ccc(C)c(N(C)S(=O)(=O)c2cn(C)c(Cl)n2)c1 84144593 YPBOMQFUOAEVSU-UHFFFAOYSA-N 313.810 2.515 0 40 DFAB Cc1ccsc1CNC(=O)Cn1ccc(-c2ccco2)n1 95417895 IILYMUFWGFVJJK-UHFFFAOYSA-N 301.371 2.829 0 40 DFAB COc1cc(CCNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)ccc1O 74264949 OGXWPHBVJACYDF-GJZGRUSLSA-N 316.401 2.551 0 40 DFAB CN(C)c1ccncc1CNC[C@H](c1ccco1)N1CCCC1 95996702 HKSVOYVGOJBABE-QGZVFWFLSA-N 314.433 2.667 0 40 DFAB Cn1cc(-c2cnc3[nH]cc(I)c3c2)cn1 95936918 OETAQZDASZNCPF-UHFFFAOYSA-N 324.125 2.568 0 40 DFAB CN1CCN(c2ccccc2NC(=O)N[C@H]2C=CCCC2)CC1 89382799 FWYPAOGATGVKNX-HNNXBMFYSA-N 314.433 2.669 0 40 DFAB CN(CCCn1ccnc1)C(=O)N[C@@H]1CCc2c(F)cccc21 89346125 JZZKFLJFJGJCNQ-MRXNPFEDSA-N 316.380 2.741 0 40 DFAB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 74920827 SWJVULDCTJRUBV-LLVKDONJSA-N 316.279 2.875 0 40 DFAB O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CCCC2)c2c(F)cccc21 89800181 MARYFMTYMUJBGJ-WDEREUQCSA-N 303.333 2.705 0 40 DFAB COc1ccccc1CN(C)C(=O)c1ccc(OC)c(OC)c1 20108696 UARHOXMGSBHAQZ-UHFFFAOYSA-N 315.369 2.985 0 40 DFAB C[C@H](Cn1cc(Br)cn1)C(=O)N1CCCCCC1 28233549 HJUAYMCWXUOSSJ-LLVKDONJSA-N 314.227 2.684 0 40 DFAB Cc1noc2ncnc(N[C@H](CO)c3cccc(Cl)c3)c12 1548453540 RAQGIAUVRFWGEA-LLVKDONJSA-N 304.737 2.725 0 40 DFAB CN1CCC(c2nnc3ncc(-c4ccccc4F)cn23)CC1 306125871 DEJCBKJMZLAXRP-UHFFFAOYSA-N 311.364 2.740 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCOC(C)(C)C1 61721313 LTZSFFACPJCYTA-GFCCVEGCSA-N 319.430 2.930 0 40 DFAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 408707051 GODZVIHRXOWNOQ-QGZVFWFLSA-N 322.408 2.918 0 40 DFAB CC(C)n1cc(CCC(=O)NCCN(C)C)c2ccccc21 79473854 XITMJWCKPYRBRB-UHFFFAOYSA-N 301.434 2.833 0 40 DFAB CCc1nccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1 72379205 HAQCELCRBJPECX-HNNXBMFYSA-N 320.400 2.961 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c(SC(F)(F)F)c1 75582029 WKFPEBQIZWIKBX-VIFPVBQESA-N 318.320 2.824 0 40 DFAB Cc1cccc2c(N3C[C@@H](CN)C4(CCOCC4)C3)nccc12 567879443 SYHJGNAMLDOFMX-OAHLLOKOSA-N 311.429 2.735 0 40 DFAB COCCCCS(=O)(=O)N1CCC[C@H]1c1ccccc1C 133665071 KLWKCXPWTVWKJQ-INIZCTEOSA-N 311.447 2.888 0 40 DFAB CCc1ccccc1CNC(=O)NCc1nc(C2CC2)no1 77559060 PSRZXTOHTPFKPW-UHFFFAOYSA-N 300.362 2.509 0 40 DFAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1 72371971 DYUGRAMEDHRCIM-LBPRGKRZSA-N 304.415 2.700 0 40 DFAB CC[C@@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225574 RRHGLMRJQXYVKE-CQSZACIVSA-N 320.437 2.549 0 40 DFAB Cc1ccc(-n2cccn2)cc1NC(=O)NCCC1(O)CCC1 225482598 AJFKCFZFOWJZED-UHFFFAOYSA-N 314.389 2.607 0 40 DFAB O[C@H](CNc1ncccc1F)c1cc(Cl)c2c(c1)OCCO2 84487398 AXDSCXFHDLLAKZ-GFCCVEGCSA-N 324.739 2.791 0 40 DFAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC(C)C 222901292 QZVBFZVJDLWOQM-ZDUSSCGKSA-N 308.397 2.725 0 40 DFAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1 225915392 WSFXJYNFLBEJRP-UHFFFAOYSA-N 308.378 2.597 0 40 DFAB NC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 41081540 SDBJNPVXJPESBB-UHFFFAOYSA-N 306.163 2.874 0 40 DFAB CC[C@H](C)n1nc(C(=O)N2C[C@@H](CO)c3ccccc32)cc1C 331589896 MWGGKQAUKAXQBF-JSGCOSHPSA-N 313.401 2.899 0 40 DFAB O=C(CC[C@H]1CCCCO1)Nc1nncn1-c1ccccc1 96493758 DBXLHNNRDOPEGY-CQSZACIVSA-N 300.362 2.555 0 40 DFAB c1cnc(N2C[C@H]3c4ccccc4[C@H](N4CCCC4)[C@H]3C2)nc1 96251703 IHVGRZRNHXLRLK-BZSNNMDCSA-N 306.413 2.847 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1cc(F)cc(N2CCCC2)c1 96420165 ZBSPWCDPJAUCSI-HNNXBMFYSA-N 309.385 2.564 0 40 DFAB CCSCC[C@@H](C)NC(=O)c1ccc(N2CCCC2)nc1 96433070 LRDOWDNXSHAYBM-CYBMUJFWSA-N 307.463 2.943 0 40 DFAB Cc1cnc(N2CC[C@]3(CCCN3Cc3cccc(C)n3)C2)nc1 96203077 NQXYRTBINYAEET-LJQANCHMSA-N 323.444 2.733 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1 339464310 SHAKHYWHGSNTQJ-WFASDCNBSA-N 322.836 2.694 0 40 DFAB Cc1ccc(CN2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)o1 96209908 DRVXXIOCSSMYTO-JZXOWHBKSA-N 314.385 2.794 0 40 DFAB CCOC[C@@H]1CCC2(CCN(Cc3csc(C)n3)CC2)N1C 96207125 IBADYQAXGUBGJS-INIZCTEOSA-N 323.506 2.917 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccnc(OCC2CC2)c1 253395430 BWTHEVMMGAGQIW-UHFFFAOYSA-N 300.333 2.940 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)C(C)C)CC2)n1 257215563 CQROPZQERBPLOP-UHFFFAOYSA-N 313.405 2.537 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1 257295895 RAIIXENETHPHGX-CYBMUJFWSA-N 316.405 2.778 0 40 DFAB O=C(Nc1cnc(Oc2ccccc2F)nc1)[C@@H]1CCCO1 85472020 OLFUPLSMEGGSIR-ZDUSSCGKSA-N 303.293 2.526 0 40 DFAB CCc1nc(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)cs1 72273059 ZRPPWMDUEJTOPB-ZDUSSCGKSA-N 318.398 2.580 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1cccc2c1CCCC2 72294156 WBMGMWOZTQKIJG-ZDUSSCGKSA-N 308.447 2.801 0 40 DFAB Cc1ccsc1CN(C)CC(=O)NCCc1cccs1 15311989 WSJWMZHWBYYOJP-UHFFFAOYSA-N 308.472 2.909 0 40 DFAB COC1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 53884284 ZBBMUKQTDNKORH-UHFFFAOYSA-N 316.426 2.990 0 40 DFAB Cc1ccc(CNC(=O)c2cnn(C)c2-n2cccc2)s1 40122225 YCNGJYVZHKXNAG-UHFFFAOYSA-N 300.387 2.511 0 40 DFAB Cc1cccc(NC2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)n1 95987366 XZKASDNNMMHGNO-AZUAARDMSA-N 323.440 2.925 0 40 DFAB Cc1cc(C)c(C(=O)OCc2nc3ccccc3s2)c(=O)[nH]1 95947086 OQKJSRYZISCTQI-UHFFFAOYSA-N 314.366 2.958 0 40 DFAB C[C@@H](OC(=O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1 5667014 APGISKKWQVGIKQ-SNVBAGLBSA-N 312.300 2.980 0 40 DFAB CCCc1cc(C(=O)NC2(CN3CCCC3)CCCCC2)[nH]n1 12147290 KTWBXEXNYXQRJU-UHFFFAOYSA-N 318.465 2.891 0 40 DFAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2c(C)cccc21 13568761 VXUFWQZAFXRPEE-LJQANCHMSA-N 309.365 2.709 0 40 DFAB CNc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 19691324 RYVKQZAAHCIMIT-UHFFFAOYSA-N 309.413 2.686 0 40 DFAB COc1cc(CCNC2CCC3(CC2)OCCO3)ccc1F 161755454 MVMFVWUUEWYREP-UHFFFAOYSA-N 309.381 2.652 0 40 DFAB Cc1nc(CN2CCOC[C@@H]2CC(=O)c2cccs2)oc1C 154383016 OQJWSLUYTPMQQA-ZDUSSCGKSA-N 320.414 2.827 0 40 DFAB CC[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)C2CC2)n1 9815698 UQLFXSMLTANUPN-ZDUSSCGKSA-N 321.446 2.825 0 40 DFAB COc1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)[nH]c2c1 4484713 RMFJDTSFDGLEBJ-NSHDSACASA-N 319.430 2.922 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)Nc1ccccc1F)C21CC1 4174484 AJOZMNVJNWXRBZ-QOBDMFJFSA-N 301.317 2.677 0 40 DFAB O=C(Nc1ccncc1)c1cccn(Cc2ccc(F)cc2)c1=O 5269035 DQRXAEHVQWZXSW-UHFFFAOYSA-N 323.327 2.683 0 40 DFAB Cc1cc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)n(C)n1 13614952 YTRUHSCKVQNRSG-UHFFFAOYSA-N 323.312 2.777 0 40 DFAB C[C@H]1CN(C[C@@H](O)COc2cccc3ccccc23)C[C@@H](C)O1 17246988 FUDPJBJZLBBXRV-HLLBOEOZSA-N 315.413 2.689 0 40 DFAB CN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1cccs1 23105530 OMPBCJFJLSVXGV-AWEZNQCLSA-N 306.406 2.849 0 40 DFAB CO[C@@H](CNC(=O)c1ccc(Br)o1)c1ccco1 206860871 VEVNDWOIQVAJBU-JTQLQIEISA-N 314.135 2.753 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1COc2ccccc21 493579908 HTFTUVDOZVRPDB-OWNNVSBGSA-N 323.348 2.721 0 40 DFAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)C1CC1 5169721 JXPFEJFRNQQHNK-UHFFFAOYSA-N 308.135 2.848 0 40 DFAB COc1ccc(NC(=O)Cn2nnc3ccccc32)cc1Cl 21889680 QIIOKJNBGIOWCV-UHFFFAOYSA-N 316.748 2.732 0 40 DFAB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1c(C)noc1C 30524179 XWVFJLJSMMDOOS-LLVKDONJSA-N 324.402 2.682 0 40 DFAB Oc1ccccc1N1CCN(CCOc2ccc(F)cc2)CC1 40161480 CGIUULCXBRVXNL-UHFFFAOYSA-N 316.376 2.732 0 40 DFAB COc1ccc(C2=NN(C(C)=O)C3(CCCC3)O2)cc1OC 39270 NJKCKSGUYOTVME-UHFFFAOYSA-N 304.346 2.514 0 40 DFAB CN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nccs1 40512988 AKNVBXUHLNYITK-LBPRGKRZSA-N 315.398 2.697 0 40 DFAB O=c1[nH]ncc(NCc2cccnc2OC2CCCC2)c1Cl 40520235 SBEOQCWWNRESKC-UHFFFAOYSA-N 320.780 2.752 0 40 DFAB 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CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1 2622543 MCQZBIQYNFIXRW-UHFFFAOYSA-N 305.359 2.672 0 40 DFAB NCCSc1nnc(-c2ccco2)n1Cc1ccccc1 3278385 GFSXRFPQPRQEIE-UHFFFAOYSA-N 300.387 2.637 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2ccccc2F)c1 3311560 LIUULXCNDNKTED-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(F)cc1 3435278 GOUVWARXCRZULB-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CCC(=O)N1C(c2ccccc2)=C(C)Sc2nnc(C)n21 4518225 ZXLYNRXMQOXZJP-UHFFFAOYSA-N 300.387 2.956 0 40 DFAB O=C(Nc1ccc2nccnc2c1)c1ccc2c(c1)OCCO2 5349113 UVUWCELJVUQIAU-UHFFFAOYSA-N 307.309 2.653 0 40 DFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2)[C@@H]1C 5676901 BQLTXKJFFOJRET-IIAWOOMASA-N 319.401 2.550 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 6559251 GVPXZVKQAJESEF-UHFFFAOYSA-N 321.423 2.821 0 40 DFAB COc1cc(CNCC(C)C)ccc1OCC(=O)NC(C)(C)C 6883571 FLHACHATYXWGMI-UHFFFAOYSA-N 322.449 2.734 0 40 DFAB COc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1 7815210 CTDZMIZAPHXLPH-UHFFFAOYSA-N 324.380 2.914 0 40 DFAB 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CCCCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ncccn2)C1 30252351 NCHLLDDKGMZMDT-CABCVRRESA-N 304.438 2.778 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)c(F)c1 32804232 HGKCFNHPBVVLLV-GZMMTYOYSA-N 318.270 2.530 0 40 DFAB CCCc1nc(CNC(=O)c2cccc(Br)c2)no1 33856550 DRCBLYQVYMPICC-UHFFFAOYSA-N 324.178 2.715 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 35806848 KXOJRQBVERPZBE-DNVCBOLYSA-N 308.425 2.838 0 40 DFAB Cc1cc(C(F)(F)F)nc(N(C)Cc2c(C)nn(C)c2C)n1 36613456 QANXKJZVWKWBNK-UHFFFAOYSA-N 313.327 2.791 0 40 DFAB CC(C)c1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 40497182 FPDJVENZJVWISA-AWEZNQCLSA-N 305.353 2.906 0 40 DFAB Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H](O)C3)n2)cc1F 42286691 MWVUPNLGYHWFGI-YPMHNXCESA-N 305.353 2.702 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccncc2)c(C)c1 42678434 QEQHITCKPKSYDZ-UHFFFAOYSA-N 304.415 2.828 0 40 DFAB CCc1cccc(C)c1NC(=O)NC1CCN(C(C)=O)CC1 43156503 GQNJUUPXSSYXHM-UHFFFAOYSA-N 303.406 2.690 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc[n+]([O-])cc1 44687650 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306.410 2.807 0 40 DFAB Cc1cc([C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(C)C)c(C)s1 71903619 ZCIHQAXXFFCSSD-DGCLKSJQSA-N 317.476 2.611 0 40 DFAB C[C@H]1[C@@H](C)SCCN1CCC(=O)N1CCc2sccc2C1 71911147 DJEQFPNVPRFGBO-QWHCGFSZSA-N 324.515 2.849 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccnc(Cl)n1 72203443 SCDQTNPUNUZWEM-JTQLQIEISA-N 312.801 2.576 0 40 DFAB CCn1cc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)c(C)n1 72255862 CMDRREJTLMEZPI-UHFFFAOYSA-N 324.388 2.568 0 40 DFAB CCn1ncc2c1CCC[C@@H]2NCc1nc2ccccc2n1C 72298491 LXXBPJAWVRTMMT-AWEZNQCLSA-N 309.417 2.957 0 40 DFAB COc1ccc2c(CN3C[C@@H]4CCCN4C[C@@H]3C)cn(C)c2c1 72324562 FJXBGAWPXSVIFQ-HOCLYGCPSA-N 313.445 2.855 0 40 DFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c2ccccc2c1=O 72332538 KRTWZUJPHODGKX-UHFFFAOYSA-N 308.337 2.871 0 40 DFAB O=C(c1cccnc1)N1CCC(c2cc3cccnc3[nH]2)CC1 72351229 XFVLMVYPSDHPEQ-UHFFFAOYSA-N 306.369 2.978 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1(C)C 73269314 PUXJIDSCMKFWGQ-RHSMWYFYSA-N 322.380 2.718 0 40 DFAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)CCOC(C)C)s1 75093607 HUKLGWAVCPOKOU-ZDUSSCGKSA-N 317.476 2.948 0 40 DFAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)nn1 78067017 KNYYKOGVOFBQGF-LBPRGKRZSA-N 303.387 2.696 0 40 DFAB CC(=O)c1c(F)cccc1N[C@H]1CCCN(c2cnn(C)c2)C1 78367945 XOYPVGROHPGYTG-ZDUSSCGKSA-N 316.380 2.843 0 40 DFAB O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1COc2ccccc21 78681133 RMERFCQPZIMMFX-CQSZACIVSA-N 322.320 2.956 0 40 DFAB Cc1cn2c(CN[C@@H](C)[C@H](C)n3cccn3)c(C)nc2s1 78789713 QXXBAEDLZBCSAC-AAEUAGOBSA-N 303.435 2.948 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)CSC)c2c1 79051026 MUTOCRBBQVNNEO-NSHDSACASA-N 306.431 2.834 0 40 DFAB CCOc1cc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)ncn1 79439316 REZYNKKRBXTSSN-GFCCVEGCSA-N 322.409 2.687 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1ccccn1 80380152 KRUULRXFCXTSMH-UHFFFAOYSA-N 323.400 2.988 0 40 DFAB Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1C 81323004 TUADBKXNPMUSOJ-GDBMZVCRSA-N 323.458 2.790 0 40 DFAB CCOC[C@H]1CCN(C(=O)Nc2ccc3c(c2)N(CC)CC3)C1 81624449 BWXPRXWWWSSQOR-AWEZNQCLSA-N 317.433 2.959 0 40 DFAB CN(CC(=O)Nc1cc(F)ccc1F)OCc1ccccc1 83857618 IJTQTNDCVYURQE-UHFFFAOYSA-N 306.312 2.967 0 40 DFAB CC(C)C[C@H](CCO)CNC(=O)N1CCS[C@@H](C)[C@@H]1C 85414066 SUPRQZMHPPMXJX-IHRRRGAJSA-N 302.484 2.567 0 40 DFAB O=C(NCCOc1ncc(Cl)cc1Cl)c1ccco1 95416892 WVDKXNCFQIUVTC-UHFFFAOYSA-N 301.129 2.790 0 40 DFAB CC[C@@H](NS(=O)(=O)C[C@H](C)c1ccccc1)c1noc(C)n1 95427594 GHCTVLVAFLADDR-SMDDNHRTSA-N 323.418 2.552 0 40 DFAB C[C@@H](O)CN(C)C(=O)NCCCc1ccc(Cl)c(Cl)c1 95459704 YNEXTTRICQIGOA-SNVBAGLBSA-N 319.232 2.948 0 40 DFAB CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1ccco1 95462884 OMEKSALFQWTRSH-UHFFFAOYSA-N 302.374 2.762 0 40 DFAB COc1ncc(NC(=O)/C=C/c2ccccc2)c(N2CCCC2)n1 96121387 NYJQRTPWDVFIAS-MDZDMXLPSA-N 324.384 2.737 0 40 DFAB Cc1cc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)no1 96192520 AVGBJDMFFUCSHR-HNNXBMFYSA-N 303.293 2.644 0 40 DFAB CCn1nc(C)c2ncnc(NCC[C@H](O)c3ccccc3)c21 96193122 KOWSDWSUDNGIAR-AWEZNQCLSA-N 311.389 2.690 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1nccs1)[C@@H]2C 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KGDQTOWQXAJGPM-CHWSQXEVSA-N 302.374 2.901 0 40 DFAB Cc1cc(NC(=O)NCCc2csc(C(C)(C)C)n2)nn1C 119649866 AFGQBQNUXYCLND-UHFFFAOYSA-N 321.450 2.847 0 40 DFAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCCN2C 121202205 CANVXBKMIWWNQC-JTQLQIEISA-N 316.323 2.975 0 40 DFAB Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1S(C)(=O)=O 195563253 FXYLXYRYRFXKQT-IMJJTQAJSA-N 321.442 2.768 0 40 DFAB COc1cccc2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)ccnc12 195571636 YGXPAWIWSNVOCJ-DOTOQJQBSA-N 314.385 2.628 0 40 DFAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1 222744044 YMPSULHAPIPAIZ-HNNXBMFYSA-N 310.397 2.740 0 40 DFAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1CC 222807475 QRDJJQVZQRTRET-LSDHHAIUSA-N 300.431 2.895 0 40 DFAB CSCC1(COc2ccc3ncn(C)c(=O)c3c2)CCC1 225451023 NBLFJQNVAHITKJ-UHFFFAOYSA-N 304.415 2.846 0 40 DFAB CN(C)C(=O)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 225828233 HVEUUCJWUCUTLJ-UHFFFAOYSA-N 322.792 2.821 0 40 DFAB OCc1c(I)cccc1C(F)(F)F 238709864 BRKOTFQOCRDEBL-UHFFFAOYSA-N 302.033 2.802 0 40 DFAB C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccccc1 253592293 UPYJHKKJJXNPCT-CQSZACIVSA-N 324.428 2.600 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]12Cl 254569771 SXIFUYIBLDTKKR-HDXXDCQVSA-N 309.192 2.738 0 40 DFAB CC1(C)COc2c(C(=O)NCc3nnc(C4CC4)o3)cccc21 281411438 AMBVFVZJDPNRKU-UHFFFAOYSA-N 313.357 2.547 0 40 DFAB C[C@H](CCc1ccc2c(c1)OCO2)N[C@H](C)c1nccn1C 341708714 QIFVVUIWGSMTBL-CHWSQXEVSA-N 301.390 2.821 0 40 DFAB CCC(=CC(=O)N1C[C@@H](NC(C)=O)CC[C@@H]1C(F)(F)F)CC 583621158 HKZJAAWRGCGPCP-QWHCGFSZSA-N 320.355 2.791 0 40 DFAB Cc1cc(OCC2CCN(c3nnc(C)s3)CC2)ccn1 1775995160 FYCDTCIMLMAYQV-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1 2087130519 MUGQFVQQPRTHCA-CQSZACIVSA-N 316.449 2.827 0 40 DFAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN(CC)CC 294025 ZXZOHARPEVUAQB-UHFFFAOYSA-N 317.389 2.625 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 97376291 JDQPHAKPCMGDHK-DLBZAZTESA-N 320.477 2.859 0 40 DFAB Cc1cc(OC(F)F)c(C(=O)N2CCN(C3CC3)CC2)s1 72570816 MYJUNKOZSZDCHD-UHFFFAOYSA-N 316.373 2.578 0 40 DFAB O=C(Nc1nccs1)NC1CCN(Cc2ccccc2)CC1 42738082 IFQSCYJACQRZOE-UHFFFAOYSA-N 316.430 2.929 0 40 DFAB Fc1cccc(C(Nc2nncs2)Nc2nncs2)c1 1592918 XPNIDJMCURYNLK-UHFFFAOYSA-N 308.367 2.752 0 40 DFAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1c(C)noc1C 24793036 OIRMUBXGVDJELT-UHFFFAOYSA-N 319.380 2.569 0 40 DFAB CCc1nc(SCC(N)=O)nc(N)c1-c1ccc(Cl)cc1 25056202 IKBXHNNBYAUDPW-UHFFFAOYSA-N 322.821 2.519 0 40 DFAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)cc1 7213300 PRVUJSMESFAGEO-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB Cc1c(C(=O)NCCOc2ccccc2)[nH]c2c1C(=O)CCC2 25643950 MOGQQJIVYRWYFF-UHFFFAOYSA-N 312.369 2.651 0 40 DFAB O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 53993910 IFGRFVLLMJWDDQ-UHFFFAOYSA-N 302.760 2.933 0 40 DFAB O=C(O)CSc1ccc(NCc2ccc(C(=O)O)o2)cc1 8702255 HWORHIIMWFQDOV-UHFFFAOYSA-N 307.327 2.767 0 40 DFAB NC[C@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 44541022 JONSPUMJDLHSSA-GFCCVEGCSA-N 315.186 2.542 0 40 DFAB S=c1n(C2CC2)cnn1CN1CCC(N2CCCCC2)CC1 57995735 QXSSPCQDMIDDHQ-UHFFFAOYSA-N 321.494 2.657 0 40 DFAB CCCc1cc(=O)[nH]c(SCc2cn3cccc(C)c3n2)n1 9640493 HQXYJMBPUCEWAE-UHFFFAOYSA-N 314.414 2.971 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCn2nccc21 58183679 XZJNWQJQUIJPGF-LLVKDONJSA-N 305.765 2.741 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 100633861 OVPFRCGBPWBEEM-FJIDUMEYSA-N 323.392 2.825 0 40 DFAB CC(C)[C@@H](Sc1ccccn1)C(=O)NCc1cccnc1 58282257 XRXRKTBUWWJKAN-OAHLLOKOSA-N 301.415 2.910 0 40 DFAB C[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1cccnc1 44966892 MYVNCBPTIWCUEM-LBPRGKRZSA-N 311.341 2.529 0 40 DFAB Cc1csc(CNC(=O)N2CCC[C@H]2c2ccncc2)n1 44967422 HSLMCUGJHGBELR-ZDUSSCGKSA-N 302.403 2.893 0 40 DFAB O=C(NCCn1ccnc1)NCc1csc2ccccc12 44966607 BRAFOMPYLRESEO-UHFFFAOYSA-N 300.387 2.597 0 40 DFAB Cn1ncc2c(SCCCCCn3cccn3)ncnc21 58316301 GXACUJKJJTWFGB-UHFFFAOYSA-N 302.407 2.522 0 40 DFAB O=C(CNC(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 10430194 WFAVWXAJYUMBSH-UHFFFAOYSA-N 323.396 2.655 0 40 DFAB CCN(c1ccc(C(=O)Nc2ccc(=O)n(C)c2)cc1)C(C)C 58415770 KOWDOGORICSXTI-UHFFFAOYSA-N 313.401 2.872 0 40 DFAB CN1CCN(C(=O)[C@H]2CC=CCC2)c2nc3ccccc3nc21 25064101 RETRDLNJYHCNNG-ZDUSSCGKSA-N 308.385 2.769 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(-c2c[nH]cn2)cc1 71284032 WGTWKUJALPIIRE-UHFFFAOYSA-N 321.336 2.956 0 40 DFAB CONC(=O)c1cccnc1Oc1cccc(Br)c1 58976488 YQQYUEJFRSSQAI-UHFFFAOYSA-N 323.146 2.928 0 40 DFAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21 109049905 LNHRNOIRCPGDIF-PBFPGSCMSA-N 321.392 2.903 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)NCCSCc1ccsc1 22696814 HBROVJHGRNGSQO-UHFFFAOYSA-N 323.487 2.691 0 40 DFAB CC(C)C[C@H](C)N(C)C(=O)CCc1nc(-c2cccnc2)no1 46436749 BIYWMKYPAAZIIE-ZDUSSCGKSA-N 316.405 2.957 0 40 DFAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)c1C 20144002 ZBHYUKPBKBJHLU-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB NC(=O)CN(C(=O)Cc1ccc2ccccc2c1)C1CCCC1 47236450 GTOOTXRQMIFMNV-UHFFFAOYSA-N 310.397 2.639 0 40 DFAB Cc1nnc([C@H](C)N2CCN(c3cccc(C)c3C)CC2)o1 48275527 DVCIUHZSYMZDHV-AWEZNQCLSA-N 300.406 2.878 0 40 DFAB Cc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)n1 20722768 QQJYYIGFAJYCMD-JSGCOSHPSA-N 315.398 2.610 0 40 DFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccco1 48234252 DKYIFHCDNSMMJK-AWEZNQCLSA-N 316.357 2.651 0 40 DFAB O=C(NC1CC1)c1ccc(Cn2cc(Br)cn2)cc1 27969799 HAGCQJXDKLJCFG-UHFFFAOYSA-N 320.190 2.586 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 28245270 VASCVFIIIMZAHR-INIZCTEOSA-N 312.417 2.815 0 40 DFAB O=C(Nn1c(S)nnc1-c1cccs1)c1ccc(F)cc1 12958675 DWODKKNYLKUMHI-UHFFFAOYSA-N 320.374 2.818 0 40 DFAB CCOc1ccccc1-c1cccc(C(=O)NC2(C(N)=O)CC2)c1 93240821 OLGKPQUQKIQNEY-UHFFFAOYSA-N 324.380 2.500 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 3888396 GFOVIYGXYVCJAZ-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1cccc(Cl)c1 4313305 BBQTWJNUVZXRNT-UHFFFAOYSA-N 312.756 2.701 0 40 DFAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCC1CCCCCCC1 65580852 AANWSQJJUULHBI-CYBMUJFWSA-N 303.468 2.675 0 40 DFAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(C)on1 9496869 OQLUSFZNPLQLQK-NSHDSACASA-N 304.302 2.508 0 40 DFAB COC(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 6466039 KZXCXGZIZSFLGU-GFCCVEGCSA-N 305.374 2.689 0 40 DFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(F)ccc2C)no1 9498526 YEJBZERBHBDOHZ-JTQLQIEISA-N 306.293 2.615 0 40 DFAB COc1cccc(CN(C)Cc2cc(O)nc(SC)n2)c1 14244028 MOSFSKKTLFRSKU-UHFFFAOYSA-N 305.403 2.545 0 40 DFAB COC1=CCC2=C(CCN[C@@H]2Cc2ccc(O)c(OC)c2)C1 96319130 SCIKTLPLGSDNQB-MRXNPFEDSA-N 301.386 2.926 0 40 DFAB CCc1nc(CS(=O)(=O)[C@H]2CCCc3ccccc32)no1 66502236 GPIASAZFTUDGPF-ZDUSSCGKSA-N 306.387 2.624 0 40 DFAB Cc1ncc(CNC(=O)NC[C@H](C)Oc2ccccc2F)s1 96439567 MNEJCBIUFRBGCP-JTQLQIEISA-N 323.393 2.857 0 40 DFAB CCOc1ccc(-c2cc(C(=O)NCc3cccnc3)n[nH]2)cc1 6901193 FJQMKNIUMJLJRH-UHFFFAOYSA-N 322.368 2.800 0 40 DFAB CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCOCC1 71826939 OGQUDMMQAYLEAI-UHFFFAOYSA-N 300.358 2.937 0 40 DFAB CN(C)CC(C)(C)CNC(=O)COc1ccc2ccccc2c1 7956970 LMFYWDRIOMTQBB-UHFFFAOYSA-N 314.429 2.923 0 40 DFAB CS(=O)(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1 8195524 VHZVDUIMFFIIGX-UHFFFAOYSA-N 323.443 2.782 0 40 DFAB CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1cccc(F)c1 20026336 LZIMSOVSKYQHKO-IRXDYDNUSA-N 301.365 2.569 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2nnsc2Cl)n1 70006985 JJIJHRJODVZJKD-NSHDSACASA-N 311.842 2.669 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1C 69493829 MWFVZLDYGWVTCL-INIZCTEOSA-N 316.445 2.928 0 40 DFAB Cc1cccc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)n1 306142403 WYSRRUQWHYWFRR-UHFFFAOYSA-N 308.341 2.503 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1 69668675 KBONHKJUAWVQSN-RHSMWYFYSA-N 313.401 2.689 0 40 DFAB Cc1cccc(CCNC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 69668960 QXNOMUJNSGUAHL-ZDUSSCGKSA-N 314.433 2.948 0 40 DFAB O=C(CCc1cccs1)N1CCC(Nc2cccnn2)CC1 69655493 PKNTVTZOJKNBEA-UHFFFAOYSA-N 316.430 2.574 0 40 DFAB Cc1cnn(CCNCc2ccccc2OCc2cccnc2)c1 69896956 HCGYTYVKFDAVTJ-UHFFFAOYSA-N 322.412 2.955 0 40 DFAB Cc1nc(CN2CCCN(C(=O)c3ccccc3)CC2)cs1 69923540 XEHDTNUHKCAXDB-UHFFFAOYSA-N 315.442 2.800 0 40 DFAB COc1cc(S(=O)(=O)Nc2nccs2)ccc1Cl 72414552 YBSZKJJQIBKSHB-UHFFFAOYSA-N 304.780 2.606 0 40 DFAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(CC(=O)O)cs1 97035260 SCDQKMJZAGIOOV-UWVGGRQHSA-N 322.411 2.882 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2ccncc2Cl)C2CC2)n1 95450819 LLQLMQCPOXOHGZ-CYBMUJFWSA-N 302.765 2.715 0 40 DFAB Cc1cc(=O)c(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)n[nH]2)c[nH]1 95418081 ZGWOBDIZMAPCBZ-SNVBAGLBSA-N 316.405 2.883 0 40 DFAB Cc1nc(CNC(=O)N[C@@H]2CCc3c(O)cccc32)c(C)s1 95443381 QDDCLQDOTSTJTB-CYBMUJFWSA-N 317.414 2.952 0 40 DFAB CCc1ccc(C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)o1 95986353 CVWPTRAJBJWWGI-UHFFFAOYSA-N 313.401 2.976 0 40 DFAB O=C(Cc1ccncc1)NCCOc1cccc2ccccc12 95961031 DJXCIMMXSSTRHH-UHFFFAOYSA-N 306.365 2.973 0 40 DFAB C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@H](C)C2CCC2)CC1 95943353 FGUCJNPNMFMQHY-CABCVRRESA-N 316.449 2.658 0 40 DFAB Cc1nc(CCN[C@@H]2CC[C@@H]3SCCS[C@@H]32)cs1 95984932 KPCVFEPMVJIVQH-FRRDWIJNSA-N 300.518 2.963 0 40 DFAB COCc1nc(CN2CCC[C@H]2c2noc(C3CC3)n2)cs1 76047657 HVWXASVPLFFVQI-LBPRGKRZSA-N 320.418 2.887 0 40 DFAB Cn1c(=O)oc2ccc(NCCOc3cccc(F)c3)cc21 76062077 NMQACRSVDUYVBL-UHFFFAOYSA-N 302.305 2.762 0 40 DFAB O=C(O)c1c[nH]c2cc(OCc3ccc(F)cc3)ccc2c1=O 27711502 VMWWDRIJFYUEFO-UHFFFAOYSA-N 313.284 2.944 0 40 DFAB COCCCNC(=O)c1sc(Cc2ccccc2)nc1C 28242749 YNVKMCOXYFCMMQ-UHFFFAOYSA-N 304.415 2.809 0 40 DFAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccccc2)C[C@H](C)O1 21055201 ITCSNHDGLAEVAU-HOTGVXAUSA-N 318.461 2.623 0 40 DFAB Cc1nc2n(n1)C[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)CC2 129642505 UFESEWDLHKRCQW-SDDRHHMPSA-N 302.344 2.612 0 40 DFAB COC(=O)c1cccc2c1N=C(N(OC)c1ccccc1)C2=O 3845337 VCSWPSPLZHZHNF-UHFFFAOYSA-N 310.309 2.768 0 40 DFAB biogenic COCCNC(=O)C1=C(n2cccc2)S[C@@H]2CCCC[C@@H]12 32646434 JVLVCKZLEBAFOO-CHWSQXEVSA-N 306.431 2.725 0 40 DFAB C[C@H](Nc1cccc2c1OCCO2)C(=O)N(C)c1ccccc1 559718196 RIJDCNLFZRDSQA-ZDUSSCGKSA-N 312.369 2.921 0 40 DFAB CC(C)(C)OC(=O)NCCCc1nc(-c2ccccn2)no1 78773797 WZFOUCMEOAVKEC-UHFFFAOYSA-N 304.350 2.589 0 40 DFAB COc1cc(Cl)cc(C(=O)N2CCc3ccc(OC)nc32)c1 565761093 PWCILHWPVPKZDQ-UHFFFAOYSA-N 318.760 2.955 0 40 DFAB Cc1nc(CN2CCCc3ccc(S(C)(=O)=O)cc32)cs1 76724991 RKEWJTDRIDKESQ-UHFFFAOYSA-N 322.455 2.808 0 40 DFAB CC(C)CC(=O)Nc1nn2c(-c3cccc(F)c3)nnc2s1 41076547 PXNXXQABJNGHDH-UHFFFAOYSA-N 319.365 2.977 0 40 DFAB COc1ccccc1N1CCN(c2cnnc3ccccc23)CC1 41122895 QLZKJHQABAHCGW-UHFFFAOYSA-N 320.396 2.965 0 40 DFAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 222838385 JNDBINBRQMXASU-CABCVRRESA-N 300.431 2.801 0 40 DFAB O=C(Nc1cc(-c2cccs2)[nH]n1)[C@@H]1CC12CCOCC2 530645409 MFSGVEFGCCQVFK-JTQLQIEISA-N 303.387 2.893 0 40 DFAB CC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@@H]1CCCO1 190337984 OIQAJELUXZJOJV-QPSCCSFWSA-N 312.454 2.694 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC 225874712 GCLDPVUHBCNOKJ-QGZVFWFLSA-N 305.418 2.876 0 40 DFAB O=C1C[C@@H](C(=O)O)[C@H](c2ccc(OCc3ccccc3)cc2)O1 85394699 WLERNJMRYDEZQM-WBVHZDCISA-N 312.321 2.954 0 40 DFAB COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(C)n1 41096185 QDOGLEGAJDZBDC-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB CC(C)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226748595 HZKVLZFXFUSXMU-AWEZNQCLSA-N 308.809 2.603 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910375 JLHDJDDUXVPTPT-ZDUSSCGKSA-N 308.397 2.725 0 40 DFAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(C)(CO)CC1 195564004 PRNUKHCBRMUKPY-XJKSGUPXSA-N 302.418 2.724 0 40 DFAB CCOCCS[C@H]1CCN(c2c(F)cccc2F)C1=O 88501043 SLCJUFOVWQAILR-LBPRGKRZSA-N 301.358 2.840 0 40 DFAB CC(C)(C)OC(=O)NCC1(Cc2cccnc2)CCNCC1 96029469 JUBKEOFSLJNIQS-UHFFFAOYSA-N 305.422 2.519 0 40 DFAB CCS[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC(O)CC1 96455570 RQDZNRAIJDYIKH-CLRIEMFWSA-N 300.468 2.653 0 40 DFAB CC(=O)c1ccc(CNC(=O)CCc2cccc(F)c2)nc1C 96486126 YYDSRHLNBWDXKH-UHFFFAOYSA-N 314.360 2.981 0 40 DFAB O=C(NCCCOCC1CCOCC1)N1CCC2(CCCC2)C1 96440730 DABVOOZAXBWLIM-UHFFFAOYSA-N 324.465 2.795 0 40 DFAB CC(=O)NCCCNC(=O)N1CCC[C@H]1c1cccc(C)c1C 96437579 DDHCGDPEJPYCQI-KRWDZBQOSA-N 317.433 2.676 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCOC1)c1noc(-c2ccc(Cl)cc2)n1 96456496 CTRMZAVJQIOSTN-GXSJLCMTSA-N 321.764 2.604 0 40 DFAB CN(Cc1ccncc1)[C@H]1COC2(CCN(CC3CC3)CC2)C1 96048090 FPHIRMCLRVTPBN-GOSISDBHSA-N 315.461 2.547 0 40 DFAB Cc1nc(-c2cccc(C(=O)OCC(=O)NC(C)C)c2)cs1 96442058 AOZMZDZTQRTLHN-UHFFFAOYSA-N 318.398 2.800 0 40 DFAB Cc1ccc(CN2CCn3c(Cn4cccn4)cnc3[C@@H]2C)o1 96062042 QMECWGADIMTITE-AWEZNQCLSA-N 311.389 2.606 0 40 DFAB CO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1 96388036 BGYANCCAGWJEMY-MRXNPFEDSA-N 317.316 2.672 0 40 DFAB Cc1cc(COc2ccc(NC(=O)c3cnn(C)c3)cc2)on1 69775037 YJJPJHSAFBFMHZ-UHFFFAOYSA-N 312.329 2.548 0 40 DFAB Cc1ccc([C@H]2CN(c3ncnc4ncccc34)CCO2)cc1 1776001217 FWHPEKFNGSBLKS-MRXNPFEDSA-N 306.369 2.911 0 40 DFAB COc1ccc(CN(C)C(=O)NCc2scnc2C)cc1F 78447532 PXHBBJXSADJKAO-UHFFFAOYSA-N 323.393 2.941 0 40 DFAB C[C@H](NCCN1C(=O)CCC1=O)c1ccccc1C(F)(F)F 89683607 DFUXMGIRARANPD-JTQLQIEISA-N 314.307 2.505 0 40 DFAB COC(=O)CCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 97141987 CPUFKCJIXOMELN-TZMCWYRMSA-N 307.365 2.873 0 40 DFAB O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccccn1 5005462 ZEEUQZHCENOLEN-OAQYLSRUSA-N 314.288 2.961 0 40 DFAB CCN(CC)C(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N(CC)CC 5368377 IIAFWZHOVHOMHU-GEEKYZPCSA-N 306.450 2.552 0 40 DFAB C[C@@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 12187163 JMINFJSLOZKTMM-CRAIPNDOSA-N 312.457 2.955 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3n[nH]c4ccccc34)ccc21 12507736 KMLVRZABXIRQBA-UHFFFAOYSA-N 320.352 2.724 0 40 DFAB CCCCN1C(=S)S[C@@H](C(=O)Cc2cccc(C)c2)[C@H]1N 19842814 GZBRZLVWFXVCQM-GJZGRUSLSA-N 322.499 2.894 0 40 DFAB Cc1cc(-c2cc(N)on2)ccc1I 1857794315 BXRGYGVJZBTEIX-UHFFFAOYSA-N 300.099 2.837 0 40 DFAB O=C(NCC1CCN([C@H]2CCSC2)CC1)[C@@H]1CC=CCC1 225571781 AWQKRCUJEWYJEV-CVEARBPZSA-N 308.491 2.676 0 40 DFAB O=C(NC1CN(c2ccccn2)C1)c1ccccc1C(F)(F)F 1888853652 DWPWLPHTOQULAL-UHFFFAOYSA-N 321.302 2.719 0 40 DFAB Cc1csc2c(N3CC[C@H](C(=O)NC(C)(C)C)C3)ncnc12 1889091456 KBDOCKFGPVPIJW-NSHDSACASA-N 318.446 2.741 0 40 DFAB O=C(CSC1=NCCN1)Nc1ccc(Cl)c(Cl)c1 1994572 IJNGFYNUMQYUPQ-UHFFFAOYSA-N 304.202 2.624 0 40 DFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc[nH]1 6824060 ZKVGIFYWABAVMO-ZCFIWIBFSA-N 301.133 2.518 0 40 DFAB Cc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1 238923656 PFCRYAHDAKQGJT-IYVPYFHTSA-N 304.349 2.855 0 40 DFAB CO[C@@H]1CCCN(C2CCN(C(=O)Nc3cccs3)CC2)C1 1565523665 WWSIJYPPGOBIFU-CQSZACIVSA-N 323.462 2.855 0 40 DFAB O=C(/C=C/c1cccs1)NC[C@H](c1ccco1)n1cccn1 575612441 AHTLXSLYBHQLMZ-PSKZRQQASA-N 313.382 2.957 0 40 DFAB O=C(Cc1noc2ccccc12)NC[C@@H]1COc2ccccc21 342664423 SQWIUQKEBFCJQG-GFCCVEGCSA-N 308.337 2.663 0 40 DFAB CN(C)c1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc1 90611662 YXYPNNJSHCHWMZ-INMULRNOSA-N 310.397 2.616 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1cccc(Cn2cccn2)c1 31968594 BMLVWYJGAFCFIL-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nn1 32815561 OXJJOGBUGNBFRR-ZDUSSCGKSA-N 304.353 2.859 0 40 DFAB CN(Cc1ccc(Br)o1)C(=O)c1cc(C2CC2)[nH]n1 32914743 XAZGIZJRAYPDEA-UHFFFAOYSA-N 324.178 2.915 0 40 DFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C1CCCC1 53435791 KQOQGUGYQTUHOF-ZDUSSCGKSA-N 315.417 2.625 0 40 DFAB C[n+]1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 307262 MZLSFIMPJKYDCB-CQSZACIVSA-N 317.796 2.559 0 40 DFAB O=C(CSc1nncn1-c1ccccn1)c1ccc(F)cc1 420390 GDTYIIKFJRFCGN-UHFFFAOYSA-N 314.345 2.776 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1cc(C)ccc1OC 1355777 LEMRQJFIRQLNLT-UHFFFAOYSA-N 320.418 2.654 0 40 DFAB O=C(Nc1cccc(Cl)c1)OC[C@@H](O)CN1CCCCC1 1676669 WEROOHVDFVFMFP-AWEZNQCLSA-N 312.797 2.735 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)n[nH]1 78902047 HXSPGKKISKABEV-GFCCVEGCSA-N 302.378 2.849 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(C)cs2)c1C 3222378 LZSVVCNEGWEZLO-UHFFFAOYSA-N 307.375 2.825 0 40 DFAB C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1cnn(C)c1 55384732 CXRXWFZDOVQOMD-LBPRGKRZSA-N 305.809 2.754 0 40 DFAB C[C@@H]1CCCN(CCNC(=O)N[C@H](C)Cc2ccsc2)C1 106529400 KBMWVEPXSQDNMS-ZIAGYGMSSA-N 309.479 2.710 0 40 DFAB CCCc1noc(CN2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)n1 106578144 KSUBQKCEPFIFFY-ZIAGYGMSSA-N 322.453 2.539 0 40 DFAB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccccc1COC 106779452 KSCZKLNCUCCTNE-QZTJIDSGSA-N 316.445 2.922 0 40 DFAB C[C@H](SCC(=O)c1ccc(Br)cc1)C(=O)O 6175327 UYJXDQBVTBJTBF-ZETCQYMHSA-N 303.177 2.838 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C 55688818 QMPMGIJUBRXOKP-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB CC(=O)c1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 25284935 NEWYVECYIRUPJC-HXUWFJFHSA-N 324.424 2.745 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102973600 DOIIVEYIRBJKNR-HUBLWGQQSA-N 312.435 2.785 0 40 DFAB CCN(C(C)=O)c1nc(/C=C2/SC(=S)N=C2O)cs1 56640814 CJABSYXYWWRXLZ-XBXARRHUSA-N 313.429 2.845 0 40 DFAB C/C(=C\c1ccccc1)CN1CCN(C(C)C)[C@H](CCO)C1 107435512 OZMZBFYVNNVZIM-XEYRCQSKSA-N 302.462 2.867 0 40 DFAB COCCOc1ccc(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1 108370468 YRWGLXCCXODRIQ-IEBWSBKVSA-N 318.461 2.628 0 40 DFAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 44874779 RNBKCVQUXPPQDY-CYBMUJFWSA-N 310.762 2.962 0 40 DFAB Cn1nc(-c2ccccc2)cc1C(=O)NCCc1ccc(O)cc1 95472933 XTGYVQBVNKTLMW-UHFFFAOYSA-N 321.380 2.765 0 40 DFAB Cc1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)o1 10471010 MIFJQFPPBUTEAD-HNNXBMFYSA-N 317.316 2.904 0 40 DFAB COc1c(CNC[C@@H](O)c2ccccc2F)c(C(C)C)nn1C 58427985 DJDLISLYYGHXDG-OAHLLOKOSA-N 321.396 2.514 0 40 DFAB CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cccc(F)c1F)C2 108532846 UXDJMGLZJKKPNJ-CXAGYDPISA-N 308.372 2.703 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](c2cccc3cccnc23)N1 11376495 HGOBCGIJOJGVHG-MRXNPFEDSA-N 314.352 2.681 0 40 DFAB Cc1c(C(=O)NC(C)C)sc2nc3n(c(=O)c12)CCCCC3 29484261 CQKRQCILTNULNG-UHFFFAOYSA-N 319.430 2.631 0 40 DFAB COc1ccccc1C(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20141173 RTCCPCHLIBUZGX-UHFFFAOYSA-N 301.298 2.660 0 40 DFAB c1ccc(-c2ncc(CN3CCCC4(C3)OCCO4)s2)nc1 97139096 HYDGXSGLMWZSJB-UHFFFAOYSA-N 317.414 2.544 0 40 DFAB COc1ccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)cc1 100779545 KZDKGCIZUZRVHM-ZDUSSCGKSA-N 311.370 2.799 0 40 DFAB O=c1ccnc2sc(NCc3cc4c(s3)CCCC4)nn12 48308575 OXDQIIJASMCBAB-UHFFFAOYSA-N 318.427 2.703 0 40 DFAB COC(=O)[C@H](c1ccccc1C)N1CCC[C@H](n2cccn2)C1 97148041 SPRGYPRTERYQJB-RDJZCZTQSA-N 313.401 2.743 0 40 DFAB C[C@@H](O)c1ccccc1NC(=O)CN1CCc2sccc2C1 12896569 JDHRSOWRQZDFGD-GFCCVEGCSA-N 316.426 2.798 0 40 DFAB Cc1nnc(NC(=O)c2sc(-n3cccc3)nc2C)s1 61717947 QKGPVOOMQMHXCO-UHFFFAOYSA-N 305.388 2.654 0 40 DFAB O=C(CCc1cc(F)ccc1Br)NCCCF 97107273 BUEASPLNVBQVLA-UHFFFAOYSA-N 306.150 2.997 0 40 DFAB O=C(NCc1ccncc1)c1ccc(NC(=O)c2ccco2)cc1 9322559 ZTLOMAGLKMOHTF-UHFFFAOYSA-N 321.336 2.857 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1F 5148634 ZSLKYUHYRVSWKQ-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB Cc1cc(CN2c3cccc4cccc(c34)S2(=O)=O)no1 5281508 ILADUKCXMHQGND-UHFFFAOYSA-N 300.339 2.845 0 40 DFAB Cn1ccnc1SCC(=O)N1CCSc2ccccc21 9366961 AGLGBPBTMQEQRR-UHFFFAOYSA-N 305.428 2.651 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)[C@H]1CCCN(c2ccccn2)C1 65538421 MRUDMQCZSPLOJT-HOTGVXAUSA-N 324.428 2.703 0 40 DFAB Cc1c(CCC(=O)N2CCCCC2)c(=O)oc2cc(O)ccc12 4743260 ZKWLBFVXRSGNJW-UHFFFAOYSA-N 315.369 2.752 0 40 DFAB O=C(Cc1ccccc1Cl)NC[C@@H]1COc2ccccc2O1 6790211 LPXYGXNLFLTEKP-CYBMUJFWSA-N 317.772 2.839 0 40 DFAB COc1ccccc1C[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 67016478 MWQSKBIVPCCVSM-ZDUSSCGKSA-N 314.389 2.905 0 40 DFAB Cc1cc(-n2cc(C(=O)NCc3ccccc3)nn2)ccc1F 67261950 FYDMSLCGSPKOJJ-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Cc1cc(N[C@H]2CCCN(c3ccccc3F)C2=O)ncn1 90149407 SYPWTODMGAVZDP-ZDUSSCGKSA-N 300.337 2.532 0 40 DFAB Cc1nnc(NC(=O)NC[C@H](C)Oc2ccccc2F)s1 96433769 CCLFIBFXQAZDHD-QMMMGPOBSA-N 310.354 2.575 0 40 DFAB CCOC1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 96417407 XPUYOYITWOAAMZ-INIZCTEOSA-N 322.836 2.946 0 40 DFAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc2[nH]ccc12 72403607 CPNOFGMSIGJMAD-MRXNPFEDSA-N 305.337 2.981 0 40 DFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(C)on1 7823903 KZENZNXCCPEIGX-UHFFFAOYSA-N 308.359 2.977 0 40 DFAB O[C@@]1(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 90848489 XWSHJFPEZGRVSU-IEBWSBKVSA-N 317.429 2.520 0 40 DFAB Cc1ccc(-c2noc(CN[C@H](C)[C@H]3CCCO3)n2)cc1F 69161107 UJRHSJBLHUMHBI-BXUZGUMPSA-N 305.353 2.841 0 40 DFAB CNc1cc(C(=O)N(C)Cc2cccc(O)c2)cc(Cl)n1 71897914 HKNHVKBASZCIRC-UHFFFAOYSA-N 305.765 2.755 0 40 DFAB c1csc(-c2nc(CN[C@@H]3CCc4ncnn4C3)cs2)c1 69491557 ZOBMUFLAZZCKRN-SNVBAGLBSA-N 317.443 2.568 0 40 DFAB Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1nncn1C 69654680 NAKIOLCZZJUUTC-CYBMUJFWSA-N 315.421 2.505 0 40 DFAB Cn1c(=O)oc2c(C(=O)NC3(C)CCCCCC3)cccc21 95441739 IXBMJDAZCBSYNZ-UHFFFAOYSA-N 302.374 2.974 0 40 DFAB COc1ccccc1[C@@H](C)N(C)Cc1nnnn1-c1ccccc1 97674832 UNBHCSNYCFCLBD-CQSZACIVSA-N 323.400 2.864 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 95395151 PVFVMUOIAXZUEH-UXLLHSPISA-N 324.428 2.900 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)O)nn1-c1ccccc1 97046351 RWTRSQMTOOWHOL-YOEHRIQHSA-N 313.401 2.556 0 40 DFAB CN(CCOC(c1ccccc1)c1ccccc1)S(C)(=O)=O 97082514 OXOTXUXQDMCZFX-UHFFFAOYSA-N 319.426 2.684 0 40 DFAB CN(C)C(=O)CCC[S@@](=O)Cc1c(F)cccc1Cl 95413674 HABAXGFQGGTMQB-IBGZPJMESA-N 305.802 2.596 0 40 DFAB CSc1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1F 95975261 BFHNLPOAQXBKLR-SNVBAGLBSA-N 320.393 2.950 0 40 DFAB CN(C)C(=O)c1ccc(NCCCOc2ccccc2F)nc1 95958757 ASUGUOWQJYWATF-UHFFFAOYSA-N 317.364 2.804 0 40 DFAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccccn1 89363666 WSWIRRHYUHWGAF-HNNXBMFYSA-N 324.302 2.845 0 40 DFAB COc1ccc2ccccc2c1/C=C1/C(=O)N(C)C(=S)N1C 409034160 PMVUPBUPZNIGGG-UVTDQMKNSA-N 312.394 2.878 0 40 DFAB FC(F)(F)Cc1noc(CN2CCOCc3ccccc32)n1 548424195 NJYHHVAGNMQIDG-UHFFFAOYSA-N 313.279 2.711 0 40 DFAB COc1ccc(NC(=S)Nc2ccc(C(=O)O)cc2O)cc1 408585022 AQTMTWFOQUPJIG-UHFFFAOYSA-N 318.354 2.908 0 40 DFAB COc1ccccc1NC(=O)CCC(=O)Nc1nccs1 32579434 UTSGTYYVPMSCBB-UHFFFAOYSA-N 305.359 2.509 0 40 DFAB O=C(Cc1csc(-n2cccc2)n1)NCc1ccccc1F 32071322 REHBUKWSOOULQP-UHFFFAOYSA-N 315.373 2.932 0 40 DFAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCc2sccc2C1 32889935 GCLIQKRFQAMUIT-LBPRGKRZSA-N 305.403 2.820 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2N)cc1 218491307 ZSHPTAWLFYRDRW-XHSDSOJGSA-N 321.829 2.915 0 40 DFAB CCc1cc(C)n(Cc2ccccc2C(=O)OC)c1C(=O)O 78405421 YVNFIDUEPQUGJW-UHFFFAOYSA-N 301.342 2.892 0 40 DFAB Cc1cc(N2CCCCC2)nc2sc3c(=O)[nH]cnc3c12 71279145 JIZFJRMVPSLDTB-UHFFFAOYSA-N 300.387 2.832 0 40 DFAB CC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccco2)n1 32995982 XZOWCYFERKIZAT-UHFFFAOYSA-N 321.402 2.792 0 40 DFAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCC(C(=O)OC)CC1 219591187 AQMILNLVJPFXEC-INIZCTEOSA-N 319.401 2.564 0 40 DFAB CN(C)c1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 72368253 OAIIBZAWJWODSH-UHFFFAOYSA-N 310.401 2.562 0 40 DFAB CCc1cc(C)n(Cc2ccc(C(=O)OC)cc2)c1C(=O)O 78405411 AALIHLANLMDZEJ-UHFFFAOYSA-N 301.342 2.892 0 40 DFAB COc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1cccs1 80878576 IRXCECUXQRKBPL-FVNWOWOISA-N 317.410 2.794 0 40 DFAB COc1ccccc1NC(=O)c1c[nH]c2c(F)cccc2c1=O 41055622 KUTKRTRPEPZBBQ-UHFFFAOYSA-N 312.300 2.928 0 40 DFAB O=C(N[C@@H]1CCCCC[C@H]1CO)c1c(F)ccc(F)c1F 195567568 OGIUGXWIIKYDBE-JOYOIKCWSA-N 301.308 2.775 0 40 DFAB CCn1ccc(=O)nc1SCCc1ccc2c(c1)CCO2 95401590 RGTGYLKWMSZVPG-UHFFFAOYSA-N 302.399 2.533 0 40 DFAB CC[C@H](NC(=O)NC[C@@H](C)c1cccs1)c1noc(C)n1 96446140 OEYSKLGOLMWWJJ-KOLCDFICSA-N 308.407 2.994 0 40 DFAB Cc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)cc1 96124543 MGCGIUIOZLMGSZ-UHFFFAOYSA-N 301.371 2.844 0 40 DFAB CC[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2)C[C@H](C)O1 96422014 AGPBLZIOSYREGQ-XJKSGUPXSA-N 314.389 2.904 0 40 DFAB O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1CC1CC1 96217945 HLRATDYJTCLYRG-IBGZPJMESA-N 313.445 2.839 0 40 DFAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O 96301209 QDUDNXHSXJSGCU-CYBMUJFWSA-N 314.316 2.578 0 40 DFAB O=C(NCc1cccs1)c1cccnc1O[C@H]1CCSC1 244975239 IHOSEZJJNQDNAK-NSHDSACASA-N 320.439 2.957 0 40 DFAB Cc1nc(C)c(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)s1 257281128 ONTKOHCCCZOFBJ-QDEZUTFSSA-N 319.474 2.895 0 40 DFAB Cn1ccc2ccnc(CC3CN(C(=O)Cc4ccccc4)C3)c21 257300738 RVNAMEOOYJDTAV-UHFFFAOYSA-N 319.408 2.817 0 40 DFAB Cc1cc(S(=O)(=O)NCc2cncc(C3CC3)c2)ccc1F 575606863 URWNMKBIALCMEG-UHFFFAOYSA-N 320.389 2.885 0 40 DFAB O=C(NCc1ccco1)[C@H]1CCCN1Cc1cccc(F)c1F 31557974 SGZPLNQRHSCOOU-OAHLLOKOSA-N 320.339 2.839 0 40 DFAB CC(C)(C(=O)NCc1nccs1)c1ccc2c(c1)OCCO2 69697867 GQNAOKDVEXOBAA-UHFFFAOYSA-N 318.398 2.508 0 40 DFAB CCCOc1ccc(CNC(=O)c2snnc2CC)cc1 46180302 MUYWTKVCFYBEQE-UHFFFAOYSA-N 305.403 2.819 0 40 DFAB Cc1ccccc1C[C@H](C)NC(=O)CNC(=O)c1ccsc1 55312048 QNDNIYCQEZYRGO-ZDUSSCGKSA-N 316.426 2.534 0 40 DFAB CN(C)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 74809578 IMKLASVFVSHSMK-IRXDYDNUSA-N 312.417 2.863 0 40 DFAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](C)C4)cc1 17031699 JQFZGLIBPRAYLM-JTQLQIEISA-N 308.341 2.565 0 40 DFAB Cc1cc(C)nc(-n2[nH]c(-c3ccc(Cl)cc3)cc2=O)n1 17044281 FQFZUJSQJOFPBW-UHFFFAOYSA-N 300.749 2.893 0 40 DFAB C[C@H]1CN(CC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 17145634 BJFYGRJZJFXIDM-PHIMTYICSA-N 312.207 2.741 0 40 DFAB O=C(NCCc1ccccc1)c1cnn(Cc2ccccc2)c1 17357605 FFQDZXCUPWORPA-UHFFFAOYSA-N 305.381 2.904 0 40 DFAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 1888896932 BQDRUIFCKKRFGI-ZDUSSCGKSA-N 306.410 2.621 0 40 DFAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCSCC1 1889136273 KQIWWJVUZDGTIK-HNNXBMFYSA-N 322.449 2.613 0 40 DFAB Cc1c(C(=O)Nc2ccn(C)n2)cnn1-c1cccc(Cl)c1 24628143 VRLMYOSUIBDDRZ-UHFFFAOYSA-N 315.764 2.820 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2snnc2C)cc1C 35161516 NKONGMXDSSWHQZ-UHFFFAOYSA-N 311.388 2.645 0 40 DFAB CN1CCCC[C@]2(CN(Cc3ccccc3Cl)CCO2)C1=O 2037984044 OHJGCYILUVPDPE-KRWDZBQOSA-N 322.836 2.553 0 40 DFAB NC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1 4852001 LRHQALXNGMWSEJ-UHFFFAOYSA-N 300.339 2.774 0 40 DFAB CN1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc[nH]2)CC1 2055756378 KNQQFCNIKSWVQI-QGZVFWFLSA-N 303.450 2.670 0 40 DFAB O=C(N/C(=C/c1ccccc1)P(=O)(O)O)c1ccccc1 27529826 GQDKQWNRONWCFJ-KAMYIIQDSA-N 303.254 2.593 0 40 DFAB CCOc1cc(C(=O)Nc2nc(-c3ccco3)cs2)ncn1 575609811 QGUITBHPUWMTBM-UHFFFAOYSA-N 316.342 2.844 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 40159824 ZSAZHJNQQDOAHD-ZFWWWQNUSA-N 324.380 2.606 0 40 DFAB Cc1c(-c2nn3c(-c4ccccc4F)nnc3s2)cnn1C 40266480 QQDQRZVZUONQDB-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB CC(=O)Nc1nc(C(=O)NCc2ccccc2Cl)cs1 31814572 ASGKOVSPMGMRLD-UHFFFAOYSA-N 309.778 2.685 0 40 DFAB COc1cc(C)c([C@H](C)NC(=O)c2cc(C)no2)cc1OC 40535597 MCYUJEJGOZCQCK-NSHDSACASA-N 304.346 2.800 0 40 DFAB O=C(Cc1cn2ccccc2n1)N[C@H]1CCOc2ccccc21 32409857 AUGGWFXMFLUYOE-HNNXBMFYSA-N 307.353 2.517 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 101967561 XEWYGWDVCSWDJS-WJQMWINMSA-N 323.392 2.883 0 40 DFAB CC(=O)NC(NC(C)=O)c1cccc(OCc2ccccc2)c1 352892 GLIMDTSGAVOOBD-UHFFFAOYSA-N 312.369 2.536 0 40 DFAB COC(=O)Cc1ccc(OCC(=O)NC2CCCCCC2)cc1 21753088 GTDIPONAMIKUCN-UHFFFAOYSA-N 319.401 2.620 0 40 DFAB CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 53524543 BGOOPFYJJBQEOY-UHFFFAOYSA-N 309.329 2.518 0 40 DFAB Nc1nccnc1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 22742118 ZROXBTHVXVYIAY-BQYQJAHWSA-N 317.352 2.877 0 40 DFAB C[C@@H]1CCCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 485485 NIKNCNXMKBNEKF-CQSZACIVSA-N 311.429 2.927 0 40 DFAB biogenic Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 523641 RCQVGIFNTYCBCW-UHFFFAOYSA-N 322.397 2.828 0 40 DFAB Cc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1 1631873 GNHMBPXFHTXCKS-UHFFFAOYSA-N 305.337 2.689 0 40 DFAB Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Cl 2636395 ZQGXJCCZTZSOTM-UHFFFAOYSA-N 317.201 2.853 0 40 DFAB O=C(NCCCc1nnc2ccccn12)c1ccc(Cl)cc1 3208267 KVOKEVIRAUOVGR-UHFFFAOYSA-N 314.776 2.745 0 40 DFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1CCCCC1 3520051 AWBNAUUNUJNIMF-UHFFFAOYSA-N 316.323 2.564 0 40 DFAB COc1ccccc1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 5666053 UMFJLYARFBVEIM-LLVKDONJSA-N 324.336 2.850 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1cccs1 6064084 LBRFOTKMXRJKHW-NSHDSACASA-N 318.398 2.963 0 40 DFAB CCOC(CNc1ncnc2sc3c(c12)CCC3)OCC 6082988 ISLUNYKJQSABOJ-UHFFFAOYSA-N 307.419 2.991 0 40 DFAB CCOc1cc(Cl)c(Cl)c2cc(C(N)=O)c(=O)oc12 6667989 XLTYHDFXEBQPOM-UHFFFAOYSA-N 302.113 2.597 0 40 DFAB Nc1cc(N)nc(SCc2ccccc2Br)n1 6831853 GKAKUFCCCNWVST-UHFFFAOYSA-N 311.208 2.696 0 40 DFAB Cc1ccc(C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 7990057 WWQOKBCAHWEJIJ-UHFFFAOYSA-N 300.339 2.650 0 40 DFAB COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1OC 8076182 ROCYZGOBXJPNKB-UHFFFAOYSA-N 323.352 2.577 0 40 DFAB COC(=O)c1ccccc1NCC(=O)Nc1ccc(OC)cc1 8746901 ARBIEBDVGOGESZ-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB Cn1ncc2c(SCC(=O)c3c[nH]c4ccccc34)ncnc21 11678006 FDBKCCUXBQCJEH-UHFFFAOYSA-N 323.381 2.820 0 40 DFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c2ccccc12 11691686 WTUJEVRTQYXJPO-OAHLLOKOSA-N 321.398 2.536 0 40 DFAB CCc1nn(CC(=O)C(C)(C)C)c(=O)c2cc3sccc3n12 12115299 CBJFTWAWXYMULY-UHFFFAOYSA-N 317.414 2.888 0 40 DFAB CC(C)(C)c1n[nH]c(SCC(=O)NCCc2ccccc2)n1 12254987 ZQLIVZVLDAJLIN-UHFFFAOYSA-N 318.446 2.553 0 40 DFAB CC(C)[C@H]1COC(c2cccc(C3=N[C@H](C(C)C)CO3)n2)=N1 12401704 CSGQGLBCAHGJDR-GASCZTMLSA-N 301.390 2.684 0 40 DFAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12536362 WWWWVMCQVXQLGC-GFCCVEGCSA-N 324.384 2.912 0 40 DFAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCOCC1 12920050 LASNRUSPFXIGBM-SOFGYWHQSA-N 301.317 2.958 0 40 DFAB CSc1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 12946735 DGMLIQMBTCGYJL-UHFFFAOYSA-N 311.370 2.637 0 40 DFAB CCn1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1C 13703159 FBOKNPLLYIWKID-UHFFFAOYSA-N 313.386 2.982 0 40 DFAB C[C@H](CC(=O)Nc1nc2ccccc2[nH]1)NC(=O)c1ccccc1 14048502 JKTZOVCEAVVSQJ-GFCCVEGCSA-N 322.368 2.710 0 40 DFAB Ic1cccc(OC[C@@H]2CCCNC2)c1 14631204 RMPZGQKCHRPNRB-SNVBAGLBSA-N 317.170 2.670 0 40 DFAB CN(C(=O)CNc1ccccc1N1CCCC1=O)c1ccccc1 15361303 HKEXFTQVFOBBLH-UHFFFAOYSA-N 323.396 2.888 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 20887593 LMVVDHPZFRUDII-CHWSQXEVSA-N 313.401 2.739 0 40 DFAB C[C@H]1Oc2ccccc2N(CC(=O)OC2CCCCC2)C1=O 22189523 CGPVPEFFZZHGDS-GFCCVEGCSA-N 303.358 2.676 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2)c(OC)c1 22458400 CINBXDYWFOJVDE-UHFFFAOYSA-N 321.398 2.525 0 40 DFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)OC(=O)c1ccco1 23078904 HGBCHGFLQMXRLW-KBPBESRZSA-N 315.369 2.962 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 26564132 NKPFWAFDRWPIFW-UHFFFAOYSA-N 300.406 2.646 0 40 DFAB Cc1cc(N(C)Cc2ccco2)n2nc(C(F)(F)F)nc2n1 26693228 QOLSVXSWQNRHOC-UHFFFAOYSA-N 311.267 2.681 0 40 DFAB CC1(C)CC(Nc2nn3cnnc3c3ccccc23)CC(C)(C)N1 27795204 UAJOEJGYQGKUOM-UHFFFAOYSA-N 324.432 2.999 0 40 DFAB Cc1cc(NC(=O)COc2ccccc2C(F)(F)F)n(C)n1 29537076 PGDDHEZQFDHMMX-UHFFFAOYSA-N 313.279 2.765 0 40 DFAB c1ccc(OCc2nc3ccccc3n2CC2OCCO2)cc1 31903426 TWSVRRPQHVBHPL-UHFFFAOYSA-N 310.353 2.988 0 40 DFAB CCc1ccc([C@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)OC)cc1 32813360 MFNJYKDZQDANNA-MRXNPFEDSA-N 314.385 2.925 0 40 DFAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(C)c2)cc1 33696122 PZPQNUBABJBAOP-UHFFFAOYSA-N 312.321 2.960 0 40 DFAB COC(=O)C[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 34545383 XZVSCLBFKZVCAY-QWRGUYRKSA-N 301.383 2.558 0 40 DFAB O=C(NCCc1ccccc1)c1ccc(N2CCOC2=O)cc1 36391253 IOJNVAKHHFGKPA-UHFFFAOYSA-N 310.353 2.616 0 40 DFAB Cc1ccccc1C(=O)NCCN1CCO[C@H](c2ccccc2)C1 36699863 MVILUPFMRYFNKD-IBGZPJMESA-N 324.424 2.798 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCCCN1 37798048 XTKVGXFCEYMVOY-ZDUSSCGKSA-N 311.223 2.550 0 40 DFAB O=C(Nc1cccc2nsnc12)c1cnn(-c2ccccc2)n1 38488729 HCSSDYDHLXJGGV-UHFFFAOYSA-N 322.353 2.524 0 40 DFAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc2c1OCCO2 40309248 QMRWUZWWYKTVNQ-JYRVWZFOSA-N 309.321 2.959 0 40 DFAB biogenic O=C(CCc1ccc(Cl)s1)NCCN1CCCCC1 44529545 UEJPZJSJNGUPHX-UHFFFAOYSA-N 300.855 2.936 0 40 DFAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(C)o1)c1cccs1 44894399 KRVXZZFBYKZIJY-AWEZNQCLSA-N 320.414 2.875 0 40 DFAB C[C@H](NC(=O)COC1CCCCC1)c1ccc2c(c1)CC(=O)N2 46225096 UIPHNSLYLAKPCD-LBPRGKRZSA-N 316.401 2.708 0 40 DFAB CN(C)c1ncccc1CNC(=O)c1cnc(C(C)(C)C)s1 48356307 NSUJKMDMYHVANS-UHFFFAOYSA-N 318.446 2.832 0 40 DFAB Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2CCCO2)cc1 54748419 RFNLFESXMIPRJR-ZDUSSCGKSA-N 303.387 2.689 0 40 DFAB C[C@H]1CCCN(C[C@@H](C)NC(=O)N2CCc3ccccc32)C1 56523692 PIXSKKVLBWDXSN-LSDHHAIUSA-N 301.434 2.879 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc(Cl)ccc1O 56952972 OCTUBAAWQSAAEH-LBPRGKRZSA-N 321.764 2.673 0 40 DFAB O=C1CC2(CCCCC2)CC(=O)N1C[C@H](O)c1ccccc1 58028345 IMXQUEPMAPMEMK-HNNXBMFYSA-N 301.386 2.820 0 40 DFAB Cc1ccccc1[C@@H]1CC(c2ccco2)=NN1S(C)(=O)=O 58133959 PNWZWRLEGRKLIS-AWEZNQCLSA-N 304.371 2.699 0 40 DFAB CCN(CCNC(=O)[C@H](C)OCC(C)C)c1ccccc1C 58166582 FDXSZIVIQNWCIV-INIZCTEOSA-N 306.450 2.999 0 40 DFAB CC(C)N(Cc1cnn(C)c1)C(=O)CCC(=O)c1ccccc1 58283399 PXRKXSLDJWVOFZ-UHFFFAOYSA-N 313.401 2.820 0 40 DFAB CC1CCN(CCNC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 58439846 YYBDBSVQXBXWLM-UHFFFAOYSA-N 319.453 2.628 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1c[nH]c(=S)n1-c1ccccc1 60332947 GWHLHNXMUDAKHM-CYBMUJFWSA-N 319.386 2.723 0 40 DFAB COc1ccc(CCNC(=N)NCc2ccccc2)cc1OC 65475296 SNDVXUHWUPXNQT-UHFFFAOYSA-N 313.401 2.560 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(Cl)s1 65520758 KVSFOEAPGSNARW-VHSXEESVSA-N 303.811 2.602 0 40 DFAB COc1ccc(CC(=O)NCCSC(C)(C)C)cc1OC 66739053 NWNRJURZZFIDKO-UHFFFAOYSA-N 311.447 2.894 0 40 DFAB COc1cc(-c2nc(Cn3cccn3)c(C)o2)cc2c1OCO2 67675331 IMQYLFIRGUCIBR-UHFFFAOYSA-N 313.313 2.632 0 40 DFAB CCC(=O)N[C@H]1CCCN(Cc2ccc(SC)c(OC)c2)C1 68818065 NWNZJKOIAOSDFU-AWEZNQCLSA-N 322.474 2.908 0 40 DFAB CCc1noc([C@@H](C)N2CCN(c3cccc(OC)c3)CC2)n1 69442746 PRYQCCCMRCCQKO-CYBMUJFWSA-N 316.405 2.524 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)[C@@H]3CCOC3)cs2)cc1 69484330 VRCAZXMSZPHZRP-CQSZACIVSA-N 316.426 2.814 0 40 DFAB Cc1nc(N[C@@H]2CCc3ncnn3C2)c2c(C)c(C)sc2n1 69493488 XMGQBPJGNNIKNV-LLVKDONJSA-N 314.418 2.635 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 69531906 UKMBDWDQECSTBX-UHFFFAOYSA-N 323.400 2.799 0 40 DFAB COc1ccc(-c2nc(CNC(=O)Nc3ccccc3)n[nH]2)cc1 69582076 BWLYXHGVHXILCM-UHFFFAOYSA-N 323.356 2.802 0 40 DFAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC2)C1 71855144 KCTAVQULJLGASD-CYBMUJFWSA-N 307.825 2.890 0 40 DFAB Cc1ccc(C(=O)NCC[S@](=O)Cc2ccccc2)cc1 71893181 OIZZCDWLCOJPIU-OAQYLSRUSA-N 301.411 2.674 0 40 DFAB Cc1ccc(S(=O)(=O)N2CC(Cc3ccc(F)cc3)C2)cc1 71924161 OVGYAZJZZLDZPG-UHFFFAOYSA-N 319.401 2.997 0 40 DFAB Cc1nnc([C@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299972 IFDDSCIVPFHAJM-CABZTGNLSA-N 303.366 2.579 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)c3ncccn3)C2)sc1C 72300331 CGYFQMONKUZPAH-GFCCVEGCSA-N 302.403 2.570 0 40 DFAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CCCO3)cn2)c(C)c1Cl 72403608 XSSLWHDMOOBEPC-LBPRGKRZSA-N 320.780 2.655 0 40 DFAB COC(=O)[C@@]1(F)CCN(C(=O)Nc2cccc3ccccc23)C1 72735429 PGWXOEWSIMGZNP-QGZVFWFLSA-N 316.332 2.959 0 40 DFAB Cc1n[nH]c(SCCC(=O)N[C@H]2c3ccccc3C[C@H]2C)n1 74368125 ZWGWEVMNGWBAIM-MEBBXXQBSA-N 316.430 2.645 0 40 DFAB C[C@H]1CCN(C(=O)CNCC(F)(F)F)[C@H](c2ccco2)C1 75389774 YGOZAYWRIVMBRJ-QWRGUYRKSA-N 304.312 2.731 0 40 DFAB Cc1cc(=O)oc2cc(OCCSC(=N)NC3CC3)ccc12 77411227 RBYDFYYPSVPQFS-UHFFFAOYSA-N 318.398 2.900 0 40 DFAB CC1(C)CCCN(C(=O)NCCCOC2CCOCC2)CC1 78953142 JPZVJQGRLZGQPY-UHFFFAOYSA-N 312.454 2.794 0 40 DFAB CC1(C)CCC[C@H]1NC(=O)NCCCCn1ccccc1=O 78972939 WLRAZSLAGQMQDL-CQSZACIVSA-N 305.422 2.506 0 40 DFAB Cc1c(-c2nnc3sc(-c4ccsc4)nn23)cnn1C 79487022 LWQYIDDNHUPBAC-UHFFFAOYSA-N 302.388 2.623 0 40 DFAB CC(C)CN1CC[C@@H](C(=O)NCCc2cc(F)cc(F)c2)C1 84544244 XTMTYGGGSKCIRB-CQSZACIVSA-N 310.388 2.601 0 40 DFAB CCOc1c(Cl)cc(C(=O)NCC[C@@H](O)CC)cc1OC 84727867 BTJQXMCCSQFKKM-NSHDSACASA-N 315.797 2.638 0 40 DFAB Cc1cc(S(=O)(=O)NCC[C@H](O)c2ccccc2)ccc1F 85436468 VLINQYQPSLCHEQ-INIZCTEOSA-N 323.389 2.536 0 40 DFAB CC(C)c1csc(CNC(=O)N[C@@H]2CC[C@@H](N(C)C)C2)n1 91706155 AHRHFBRXRQDKKY-VXGBXAGGSA-N 310.467 2.548 0 40 DFAB COCc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1 92075637 LHAYUNUHHFVSMH-LJQANCHMSA-N 324.424 2.896 0 40 DFAB CC1(C)Cc2cc(CN(CCO)Cc3cccnc3)ccc2O1 93085932 FCYFLEGRIVQXHY-UHFFFAOYSA-N 312.413 2.790 0 40 DFAB O=C(NCC1(Cc2ccccc2)CCC1)N(CCO)C1CC1 95411443 RCIKQQMPWPSNNT-UHFFFAOYSA-N 302.418 2.566 0 40 DFAB CSC[C@@](C)(O)CNc1ncc(Br)cc1C 95412073 PJOKBNMHMWLDKQ-NSHDSACASA-N 305.241 2.678 0 40 DFAB CCOc1ccc(NC(=O)c2cc(C(C)C)n(C)n2)cc1CO 95447815 YSOUURHXSSENGR-UHFFFAOYSA-N 317.389 2.687 0 40 DFAB COCCn1ccc2c(C(=O)NCc3cccn3C)cccc21 95478626 QNZGHNWSVOXLEF-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB NC(=O)c1ccc(C(=O)N2CCSC3(CCCCC3)C2)s1 95964250 WEPQQRCWEPAGAN-UHFFFAOYSA-N 324.471 2.739 0 40 DFAB O=C(O)c1ccn(-c2ccc(NC(=O)c3cccs3)cc2)n1 95970524 BGKILLSGZFKNJG-UHFFFAOYSA-N 313.338 2.884 0 40 DFAB COC(=O)[C@@H]1CCCC[C@H]1OC(=O)c1cnn(C(C)(C)C)c1 95983037 LPJCRZGUIUUPJP-CHWSQXEVSA-N 308.378 2.527 0 40 DFAB C[C@@H](CO)NC(=O)Nc1c(F)cccc1OCc1ccccc1 95983860 UFEUEFRMNLOMBG-LBPRGKRZSA-N 318.348 2.907 0 40 DFAB c1cc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)cs1 96056234 WCIQUZNDORSWNH-YESZJQIVSA-N 306.475 2.681 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2ncn(C)c21 96060213 CCNNJGZQQRSZMJ-CQSZACIVSA-N 303.381 2.695 0 40 DFAB CCC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCOC 96243492 BALXKEQOFUXPPU-UHFFFAOYSA-N 318.417 2.550 0 40 DFAB CC/C=C(\C)C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 96314502 GGNNQSCZWXHASM-LHHJGKSTSA-N 315.417 2.923 0 40 DFAB COC(=O)[C@H](NC(=O)/C=C/c1nc2ccccc2o1)C(C)(C)C 96411663 RAJZZUXPHDHFRB-FEAKQIBJSA-N 316.357 2.545 0 40 DFAB Cc1cc(C)n2cc(CN(C[C@@H](C)O)c3ccccc3)nc2n1 96424743 AUORMXPMYBWXRQ-OAHLLOKOSA-N 310.401 2.734 0 40 DFAB CCOc1c(F)cccc1C(=O)NCc1c(C)nn(CC)c1C 96430871 DUWVJDPNRCQDLT-UHFFFAOYSA-N 319.380 2.988 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)Nc1cc(F)c(F)c(F)c1 96435200 XOOSMHRCHMKHRD-OAQYLSRUSA-N 322.352 2.773 0 40 DFAB CC[C@H](C)n1cnc(S(=O)(=O)Nc2ccc(C)c(O)c2)c1 96471801 OHZJKKYDBQMUTR-NSHDSACASA-N 309.391 2.669 0 40 DFAB CCC[C@@H]1SCCN1S(=O)(=O)c1ccc(F)cc1F 97032224 RDCYPRPDMKNAPY-LBPRGKRZSA-N 307.387 2.829 0 40 DFAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1O 97143455 KWGHMZORHNOOLV-QAPCUYQASA-N 324.424 2.571 0 40 DFAB CC(C)Nc1cccc(CNC(=O)N2CCCC[C@@H]2CCO)c1 97231126 NWNDCRVIGDSXIN-QGZVFWFLSA-N 319.449 2.953 0 40 DFAB O[C@@H](CSc1nncn1-c1cccc(Cl)c1)C(F)(F)F 97378030 SPEHPJYJLBYJMA-VIFPVBQESA-N 323.727 2.936 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 102133556 RTXQNBNXPHONFL-JBLDHEPKSA-N 308.403 2.623 0 40 DFAB COc1cccc2c1CC[C@@H]2NC(=O)N1C[C@@H](C)O[C@H](C)C1 107590237 QRUANCLJVWSRSQ-JMSVASOKSA-N 304.390 2.501 0 40 DFAB CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1 110654514 INCRBHWCFCHWQE-KLHDSHLOSA-N 322.836 2.626 0 40 DFAB COC(CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)OC 118975487 VFDZLYKPNNBUSC-CYBMUJFWSA-N 319.323 2.698 0 40 DFAB O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[nH]nn1 121753607 UDFSAKOHKYUYGN-ZYHUDNBSSA-N 324.306 2.890 0 40 DFAB Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 195559930 YSXCZYBUQJRNDS-AWEZNQCLSA-N 318.417 2.982 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1F 211101110 DERTYCLZEVBTCU-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB O=C(NCCc1cncnc1)C1(c2cccs2)CCCC1 225589070 AXEXJRGQHBLLJW-UHFFFAOYSA-N 301.415 2.709 0 40 DFAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccn1 226853086 CUJGEBOMTRQWQY-CYBMUJFWSA-N 308.341 2.673 0 40 DFAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cccnc1 244986274 JNPGSHMBORVAIK-LBPRGKRZSA-N 316.382 2.737 0 40 DFAB CCO[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn2C1 253387034 YWPNSMBBGZYRTN-SFHVURJKSA-N 322.412 2.852 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2ccnn2C(C)C)nc(C)n1 257240607 HUHGWJVOCUWFCL-MRXNPFEDSA-N 314.437 2.941 0 40 DFAB C[C@@H](C(=O)O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 263558190 PONJDLXZHNUFEW-CYBMUJFWSA-N 324.380 2.960 0 40 DFAB CC(C)CCC(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306129285 HZLSKKIMJHZCCW-HNNXBMFYSA-N 318.417 2.514 0 40 DFAB CC(C)c1nccc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 347152752 PTOQUMIYSPBLSS-ZDUSSCGKSA-N 304.438 2.731 0 40 DFAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1 408720579 VUXUARGLIWIHTJ-SFHVURJKSA-N 310.397 2.989 0 40 DFAB CN(C)c1ccc(C(=O)N2CCOc3ccc(F)cc3C2)cc1 429530437 SNVCWZYXJPUJBR-UHFFFAOYSA-N 314.360 2.927 0 40 DFAB COC(=O)c1cnc([C@@H](C)NC(=O)CSC(C)(C)C)s1 521395813 XASXIIIQDOLYGN-MRVPVSSYSA-N 316.448 2.639 0 40 DFAB CC1(C)CCC(O)(CN[C@@H](c2ccccc2)c2nc[nH]n2)CC1 573862848 CVYPIONWNYGXNW-HNNXBMFYSA-N 314.433 2.815 0 40 DFAB CC(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2[C@H](C)c1ccccc1 585109013 NSOGYEHYBXMNNN-KBMXLJTQSA-N 316.401 2.968 0 40 DFAB CN(C)c1nc([C@@H]2CCCN(c3ccncn3)C2)cn2cccc12 585178768 RSAXBGWEWUSEGP-CQSZACIVSA-N 322.416 2.574 0 40 DFAB CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1cccc(F)c1 585275164 YQMCLYAVZOJVEU-QAPCUYQASA-N 317.408 2.937 0 40 DFAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1CC1CCCCC1 1888879076 UDYCQLFHAPTGCW-UHFFFAOYSA-N 320.339 2.858 0 40 DFAB COc1ccccc1C(=O)N1CCc2nc3ncccc3cc2C1 1890007685 KAXGTMDKMGJWKY-UHFFFAOYSA-N 319.364 2.837 0 40 DFAB COC1(CC(=O)N2CC[C@@]3(COc4ccc(C)cc43)C2)CCC1 2055793427 CKSAYUPHSMVWSS-SFHVURJKSA-N 315.413 2.817 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H](C)O1 74493 BUNSEWSNLIECHN-NXEZZACHSA-N 323.336 2.503 0 40 DFAB COC(=O)[C@H](C)Oc1ccc(C(=O)NCc2ccccc2)cc1 145854 NZBMIXIFJDWTLM-ZDUSSCGKSA-N 313.353 2.557 0 40 DFAB C[C@H](NC(=O)NCc1ccccn1)c1ccc2c(c1)CCC(=O)N2 42880066 PGVYIGOTUGPERT-LBPRGKRZSA-N 324.384 2.527 0 40 DFAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)C1=COCCC1 95405003 CICNMOXHGUNJDZ-UHFFFAOYSA-N 322.792 2.941 0 40 DFAB COC(=O)c1ccc(Cn2ccnc2-c2ccccn2)c(OC)c1 78971537 VUNVCKVERFYAIF-UHFFFAOYSA-N 323.352 2.789 0 40 DFAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc2[nH]c(C)cc2c1 55223575 VAHILGIHNZTZAA-NSHDSACASA-N 308.403 2.628 0 40 DFAB COC(=O)c1ccc(CCNC(=O)c2sccc2C)cc1 25076947 XPJWBGXBDFWVFX-UHFFFAOYSA-N 303.383 2.816 0 40 DFAB O=C(CCc1cccnc1)Nc1cccc(Cn2ccnc2)c1 25173795 SOQMNIRYOLSZHG-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2nnc(C)s2)cc1F 43408820 XEIABRNKRIMMOF-SSDOTTSWSA-N 310.354 2.877 0 40 DFAB c1ccc(CN(Cc2nnnn2-c2ccccc2)C2CC2)cc1 55970913 OXSHZJKDWPGJBT-UHFFFAOYSA-N 305.385 2.827 0 40 DFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 6879667 FZLPXZUEUXDTGO-XFFZJAGNSA-N 324.427 2.619 0 40 DFAB Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)no1 56342806 HLLSPFDQCOTTBT-UHFFFAOYSA-N 320.368 2.718 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)C1CCCCC1)C2=O 56552572 GDHDVNWMZZXPGK-GUYCJALGSA-N 307.438 2.709 0 40 DFAB O=C(NCC1(c2ccccc2)CC1)c1ccc(-n2ccnc2)nc1 26026250 JGRIFCGZPMDIGI-UHFFFAOYSA-N 318.380 2.729 0 40 DFAB COc1ccc(CNc2nnc3n2CCCCC3)c(OC)c1 8473107 KWCWZUJQKAOUPT-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB O=C1[C@H]2N=NC[C@H]2C(=O)N1c1ccc(Cl)cc1C(F)(F)F 103583037 OMDQVPOQBWEUFF-MUWHJKNJSA-N 317.654 2.683 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1Cl 27936311 PDVKQUDWGKJFMN-NSHDSACASA-N 302.827 2.549 0 40 DFAB COc1cc2ccccc2cc1C(=O)NCCC(=O)OC(C)C 10668389 QPBUSMMONBSYNL-UHFFFAOYSA-N 315.369 2.920 0 40 DFAB COC(=O)[C@@H]1CCN(Cc2nnc(C(C)C)o2)c2ccccc21 95976187 GBERHAOARZSLHF-CYBMUJFWSA-N 315.373 2.860 0 40 DFAB COc1ccc(-c2n[nH]cc2[C@H]2NC(=O)c3ccccc3N2)cc1 28795515 DJTWHXVOJQTXKS-QGZVFWFLSA-N 320.352 2.939 0 40 DFAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)c1ccccc1F 28913545 GFXJORFKHIUBNQ-AWEZNQCLSA-N 305.349 2.569 0 40 DFAB COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cn1 55124955 JORPRBKUUOACDF-UHFFFAOYSA-N 312.369 2.816 0 40 DFAB CCc1nn2c(=O)cc(COc3ccccc3C)nc2s1 20859041 KVNCLJMQDKOJLK-UHFFFAOYSA-N 301.371 2.601 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3388549 YUNSBORCOWCBGR-MDZDMXLPSA-N 315.325 2.873 0 40 DFAB O=C(CN1CCC[C@H](O)C1)N(C1CCCCC1)C1CCCCC1 48615565 CPKOSHBOABAJLO-SFHVURJKSA-N 322.493 2.937 0 40 DFAB Cc1ccn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c(=O)c1 96008403 CNZQCHAUZDPQAD-UHFFFAOYSA-N 318.739 2.578 0 40 DFAB Cc1[nH]c2ncnc(NC(=O)c3ccc(Cl)cn3)c2c1C 96008864 VCCDEOCVVSXOCB-UHFFFAOYSA-N 301.737 2.875 0 40 DFAB O=C(COC(=O)c1nccc2ccccc12)NCc1ccccc1 64875133 HVCKVEOJUQWLJV-UHFFFAOYSA-N 320.348 2.708 0 40 DFAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCOCC2)c1 20158714 AOYQKCCEUWTGAI-UHFFFAOYSA-N 311.385 2.666 0 40 DFAB O=C(Nc1ccccn1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 65552418 BYVLUQXCNSDQBL-OAHLLOKOSA-N 324.384 2.508 0 40 DFAB CC[C@@H](C)NC(=O)c1cc(F)ccc1I 65585609 ADPKCPGAWANYBK-SSDOTTSWSA-N 321.133 2.959 0 40 DFAB COc1c(C)cc(CN(C)C(=O)NC[C@@H]2CCCO2)cc1C 65608697 KWWZGUAHROUPOR-HNNXBMFYSA-N 306.406 2.632 0 40 DFAB COC(=O)c1ccc(C)c(NC(=O)CNc2cccc(F)c2)c1 9313736 XJXPPEMWDXBJLX-UHFFFAOYSA-N 316.332 2.971 0 40 DFAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12 19703426 BVTYYZQREOKDJA-NSPYISDASA-N 303.365 2.898 0 40 DFAB biogenic CC[C@@H](OC(=O)c1ccccc1C)C(=O)Nc1cc(C)on1 9449799 IFGKYULXFUXOGE-CYBMUJFWSA-N 302.330 2.866 0 40 DFAB COc1ccc(C(=O)CSc2nc(C3CC3)n[nH]2)cc1OC 14805333 MXDKWRCIXNZQFY-UHFFFAOYSA-N 319.386 2.674 0 40 DFAB Brc1ccc(N2CC[C@H](NCc3ncc[nH]3)C2)cc1 66593859 RZASVQVXYMUPCO-LBPRGKRZSA-N 321.222 2.541 0 40 DFAB Cc1noc(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)n1 66716438 ILVQWYFSFBOYDI-NWDGAFQWSA-N 305.403 2.600 0 40 DFAB COCc1ccccc1C(=O)N[C@@H](C)CCc1cccn1C 96425719 CYSXRSRQZBJUPW-AWEZNQCLSA-N 300.402 2.923 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc(F)cc1 15982458 CHPPFSKFZXUJTM-UHFFFAOYSA-N 316.332 2.974 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2C(=O)COC2CCCC2)c1 71865941 FNEWYABAVICVGE-HNNXBMFYSA-N 305.422 2.532 0 40 DFAB Cc1ccc(NC(=O)NC(=O)CN2CCCCCC2)c(C)c1 7781867 VYWFRZKUTWEXGK-UHFFFAOYSA-N 303.406 2.828 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc12 7779459 ZWWSLGSGAWJFSX-GFCCVEGCSA-N 313.353 2.785 0 40 DFAB C[C@@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)n1ccnc1 71820032 ACSGTKXCEFFJHL-WFASDCNBSA-N 319.792 2.698 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1nc(-c2ccccc2)no1 8076465 AWSAQBHGHLLKEQ-UHFFFAOYSA-N 311.341 2.556 0 40 DFAB O=C(Nc1cc(-c2ccccc2)ns1)N[C@@H]1C=C[C@H](CO)C1 81636791 UJOLLPMVSYRKNV-WCQYABFASA-N 315.398 2.869 0 40 DFAB COC(=O)c1cc(F)c(C)c(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 70036370 DOLRUJNNDXJHFS-AOOOYVTPSA-N 324.352 2.562 0 40 DFAB O=C(NCC1CCCC1)Nc1ccn(CCc2ccncc2)n1 69567822 LBGQFZREFOFVCW-UHFFFAOYSA-N 313.405 2.833 0 40 DFAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C)c1ccncc1 69568970 VWAQBBNSBIYWSQ-KGLIPLIRSA-N 317.433 2.734 0 40 DFAB COc1ncccc1NC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 83915408 VSWLJWYQPNOZFW-OCCSQVGLSA-N 301.321 2.907 0 40 DFAB Cc1[nH]ncc1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 84044619 YNZDAONAMHQUDJ-LLVKDONJSA-N 309.373 2.703 0 40 DFAB Cc1cc(N2CC[C@H](OCc3ccccn3)C2)nc(C2CC2)n1 84114417 KWTURMWDBQYOHE-INIZCTEOSA-N 310.401 2.853 0 40 DFAB O=C(NC[C@H]1Cc2ccccc2O1)c1cccnc1C(F)(F)F 97032076 DBTRAHHUFNSHBO-LLVKDONJSA-N 322.286 2.834 0 40 DFAB Cc1n[nH]c(C)c1CC(=O)NCCOc1cccc2ccccc12 97001063 WYRYKQUDLJAUAU-UHFFFAOYSA-N 323.396 2.917 0 40 DFAB O=C(Cc1ccc(O)cc1Cl)Nc1ccc(CCO)cc1 97059730 CFVGYWHZBBZKDL-UHFFFAOYSA-N 305.761 2.762 0 40 DFAB COc1c([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(C)nn1C 72234288 MNEKYGDNGCTPFC-ZIAGYGMSSA-N 303.406 2.757 0 40 DFAB CCOc1ccc(NC(=O)N(C)Cc2cnccn2)cc1C 72287627 LDIQRARMEZXFRU-UHFFFAOYSA-N 300.362 2.848 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@H]3CCCO3)c2)cs1 84274910 WYPPKRSJLBKYAS-GFCCVEGCSA-N 305.403 2.698 0 40 DFAB Cc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 97142607 KOAKWZNUOKYWRB-HNAYVOBHSA-N 323.440 2.569 0 40 DFAB O=C(NC1CCOCC1)N1CC=C(c2ccccc2F)CC1 97148022 MXRLHTABFRKBCO-UHFFFAOYSA-N 304.365 2.803 0 40 DFAB O=C(Nc1ccc(O)cc1F)c1ccc2nnc(C(F)F)n2c1 97163954 SBWHLMLDUBPZLT-UHFFFAOYSA-N 322.246 2.764 0 40 DFAB C[C@@H]1OCC[C@@H]1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165973 LTRFMZZPMXFZLI-RDJZCZTQSA-N 316.445 2.582 0 40 DFAB CCOc1cccc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)c1 72427439 JMFLXFPQXLQGRG-UHFFFAOYSA-N 324.336 2.621 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1CC[S@@](=O)[C@H](C)[C@@H]1C 75142778 ICDLKTYSUIOFNY-HXZRUIPCSA-N 318.442 2.991 0 40 DFAB NC(=O)CC[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 89780922 FBSZHACDYLNUIC-GFCCVEGCSA-N 301.365 2.856 0 40 DFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC[S@@](=O)C(C)(C)C 89922434 LEGIXPUVPJEDFI-IDGQHGNYSA-N 314.495 2.896 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)on1 76088648 XURZOUGUFNQDBK-TXEJJXNPSA-N 309.410 2.897 0 40 DFAB CCOc1ccc2nc(SCc3ncnn3CCF)[nH]c2c1 225637275 YICNWEBZCONURF-UHFFFAOYSA-N 321.381 2.815 0 40 DFAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1c(C)noc1C)CC2 524732582 CUZVLOKDVJKJOR-ZDUSSCGKSA-N 316.357 2.726 0 40 DFAB CCOc1ccccc1NC(=O)c1cc2nc(C)cc(C)n2n1 35313672 MYUCYOZGWSCKKI-UHFFFAOYSA-N 310.357 2.997 0 40 DFAB CC(C)N(Cc1ccccc1)CC1CCN(CC(=O)O)CC1 79416194 OIDKBXCOYFGCJK-UHFFFAOYSA-N 304.434 2.694 0 40 DFAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(C)c2ccccc23)cc1 6996923 DYMFMPXJSADGJZ-SFHVURJKSA-N 324.405 2.904 0 40 DFAB CC(C)[C@@H](C(=O)NC[C@H](C)c1ccsc1)N1CCCC1=O 73370971 BQIPPIDSRFRYCV-WFASDCNBSA-N 308.447 2.615 0 40 DFAB Cn1cc(C(=O)N2CC[C@H](Cc3ccc4ncccc4c3)C2)cn1 72368575 XOVADUQKUZPBFM-OAHLLOKOSA-N 320.396 2.673 0 40 DFAB C[C@H](Sc1nccn1C)C(=O)NC[C@@H](C)c1ccccc1 21780782 NOCWAGLYYJUHAQ-OLZOCXBDSA-N 303.431 2.821 0 40 DFAB C[C@@H](NC[C@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2 185778680 LVURZCHBZZCZNA-ONBNRTMESA-N 307.478 2.970 0 40 DFAB Nc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 39384268 ABFWKHFZIDWDOK-UHFFFAOYSA-N 309.413 2.663 0 40 DFAB Cc1cc(C(=O)NCCc2ccccc2)nc(N2CCCCC2)n1 72241026 IDOFXHXFXLQJLG-UHFFFAOYSA-N 324.428 2.748 0 40 DFAB CCOC[C@@H]1CN(C(=O)NCC(C)(C)C2=CCCCC2)CCO1 527869864 XETQRUDLGDIDDW-INIZCTEOSA-N 324.465 2.960 0 40 DFAB CCNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1OC 225480871 VBICTDHJUZBMRF-UHFFFAOYSA-N 315.373 2.779 0 40 DFAB Cn1ncc(CSC[C@H](O)C(F)(F)F)c1C(F)(F)F 191139372 JQGGJPZOXWAOPA-LURJTMIESA-N 308.247 2.595 0 40 DFAB CCc1nc(COC(=O)c2ccc(-n3ccnc3)nc2)cs1 195576389 MUKBGDNMSLQHMS-UHFFFAOYSA-N 314.370 2.643 0 40 DFAB Cc1noc(C)c1S(=O)(=O)NC(C)(C)Cc1ccccc1 40621196 GNRZHVAPMAXRFE-UHFFFAOYSA-N 308.403 2.591 0 40 DFAB CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223920120 LMCITUAWQMCLLX-KAMYIIQDSA-N 300.383 2.655 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 192342586 YFATZGGVNKSDQJ-RKVPGOIHSA-N 315.413 2.810 0 40 DFAB Cc1ccc(CC(=O)NCc2nnc(C3CC3)n2C2CC2)s1 97095280 FDIYCOMKAUGEBQ-UHFFFAOYSA-N 316.430 2.719 0 40 DFAB Cc1occc1CN(C)C(=O)NC[C@H]1COC2(CCCCC2)O1 95463092 XNTRRGMOOCWKOS-HNNXBMFYSA-N 322.405 2.805 0 40 DFAB c1cnc(NC[C@H]2CCC[C@]3(CCN(C4CCCC4)C3)O2)nc1 96219415 LSGZXMDABCYNLQ-SJLPKXTDSA-N 316.449 2.845 0 40 DFAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCC1)C2 96040554 YYMAOUVGSLBOJG-AEFFLSMTSA-N 307.434 2.919 0 40 DFAB Cc1ccc2nc([C@@H]3CCCN(C(=O)C4=COCC4)C3)[nH]c2c1 95446057 ZJVFBOYMIGNJFK-CYBMUJFWSA-N 311.385 2.882 0 40 DFAB O=C(c1ccco1)N1CC[C@]2(CN(CC3CCC3)CC[C@@H]2F)C1 96078732 CRECKDGCBRRRJI-WMZOPIPTSA-N 320.408 2.956 0 40 DFAB O[C@@](CCN[C@H]1CCSC1)(c1ccccc1)C(F)(F)F 96477528 NZZOZFPEKAZGEP-STQMWFEESA-N 305.365 2.922 0 40 DFAB CCOCc1cnc2n1CCN(Cc1c(C)noc1C)[C@@H]2C 96109658 PPEUOTABIGJLKR-GFCCVEGCSA-N 304.394 2.601 0 40 DFAB CO[C@@H]1CO[C@@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1 96107438 LCTHHCBLWTVFAK-FVXJHOQFSA-N 307.415 2.558 0 40 DFAB CCO[C@H](C)C(=O)NC1CCN(c2cc(C)ccc2F)CC1 97098071 UZBPUIPKQSRCMM-CYBMUJFWSA-N 308.397 2.644 0 40 DFAB CO[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1Cc1ccccc1 96110505 FTISYSSLYDSEIB-ROUUACIJSA-N 317.429 2.519 0 40 DFAB Cc1cccc(N2CCc3ncnc(-c4ccncc4)c3CC2)n1 96083967 OCVJZSXECFHVRQ-UHFFFAOYSA-N 317.396 2.847 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)ccc1F 96411105 AKAIGKKLTGNNGU-ZJUUUORDSA-N 310.394 2.750 0 40 DFAB O=C(NCCCc1nc2ccccc2[nH]1)c1[nH]nc2c1CCCC2 95476490 RMYDKXNHCOMDHU-UHFFFAOYSA-N 323.400 2.527 0 40 DFAB O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)C1=CCCC1 95414663 PNNFQCCPCULNGR-KRWDZBQOSA-N 312.413 2.967 0 40 DFAB C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1nccn1C 95403508 OBMRKJFJXJLHEO-CYBMUJFWSA-N 303.381 2.787 0 40 DFAB C[C@@]1(CNC(=O)N[C@@H]2CCc3c(O)cccc32)CCCS1 96467211 KVNMDXOLRIBPMD-CJNGLKHVSA-N 306.431 2.964 0 40 DFAB O=C(CC1CCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257269473 MQCRYSUNQBMCKV-HYVNUMGLSA-N 300.402 2.888 0 40 DFAB Cc1c[nH]c(-c2cncc([C@@H]3CCCN3C(=O)C(C)(C)C)n2)n1 257317609 VKMKUIKNDPBBTM-AWEZNQCLSA-N 313.405 2.885 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ccnc(C)n2)C1 257331685 XTUTUGISVJTGCH-CYBMUJFWSA-N 314.389 2.664 0 40 DFAB CC(=O)N1CCC(c2nccnc2-c2ccnn2C(C)C)CC1 257316087 VEAXMWNOGYLQPO-UHFFFAOYSA-N 313.405 2.647 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc2ccccn2c1 390828323 QHJPRPCJILJPEP-KRWDZBQOSA-N 324.384 2.957 0 40 DFAB Cc1nccc(N2CCC(N3CCc4sccc4C3)CC2)n1 1775996181 ZELCZMYQCLNWRG-UHFFFAOYSA-N 314.458 2.874 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C)cc2F)C1 40526216 NREBSOJMEQPFEA-LBPRGKRZSA-N 308.353 2.941 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCCCCn1ccnc1C 76087241 YYWBBZWOJBBFIJ-LSDHHAIUSA-N 324.494 2.945 0 40 DFAB CCCCc1noc([C@H](C)NC[C@H]2CCCn3ccnc32)n1 84746902 LIGPRSGTVCEZKP-QWHCGFSZSA-N 303.410 2.837 0 40 DFAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1c[nH]c2cccnc12 548738447 KDWIXILEFFCYMF-AWEZNQCLSA-N 320.396 2.819 0 40 DFAB Cc1cccc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)c1 1775967812 AIJMNMXRQGNZIR-OAHLLOKOSA-N 311.385 2.716 0 40 DFAB CCN(CC)C(=O)Cn1c([C@H]2CCCO2)cc2cccnc21 12222109 JOUMXPGRQVCZQA-OAHLLOKOSA-N 301.390 2.756 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)NCc1cc(C(C)C)no1 12362546 ZWXZTEMPPJUCLH-UHFFFAOYSA-N 324.402 2.594 0 40 DFAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cnccn3)C2)on1 19452874 FFFTYFAFQMWTPF-LBPRGKRZSA-N 300.362 2.608 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(O)c2)CC1 19894281 IKCJURCJDIMBCP-UHFFFAOYSA-N 306.406 2.881 0 40 DFAB O=C(C1CC1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140202 MWCCWWOFKQNWRU-LLVKDONJSA-N 303.387 2.914 0 40 DFAB Cc1cc(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc12 912372 RXOWKPMKISYJCV-ZDUSSCGKSA-N 316.426 2.931 0 40 DFAB C[C@@H](Sc1nnc2ccccn12)C(=O)N1CCc2ccccc21 6115037 PVWFTKXFGJEIRC-GFCCVEGCSA-N 324.409 2.799 0 40 DFAB O=C(c1csc2c1CCCC2)N1CCO[C@H](c2cc[nH]n2)C1 2037928553 RDNFFBXLUGFBPS-AWEZNQCLSA-N 317.414 2.564 0 40 DFAB COc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1 210897 QUPOLIBTPUFHRA-UHFFFAOYSA-N 314.292 2.664 0 40 DFAB Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F 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Cn1cc(C(=O)OCc2csc(Nc3ccccc3)n2)cn1 32777201 ZBOQZBOEKNTRGG-UHFFFAOYSA-N 314.370 2.977 0 40 DFAB O=C(Nc1ccc(-n2cccn2)nc1)c1c(F)cccc1F 32754778 CMIWVHAQPWFNDS-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 33211888 KRIPXERSACVHQE-LBPRGKRZSA-N 320.776 2.827 0 40 DFAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 530034 WGFVSQABQGSYIT-AOMKIAJQSA-N 320.329 2.779 0 40 DFAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 22260244 HNAPQZQKYNQXRT-UHFFFAOYSA-N 323.396 2.881 0 40 DFAB Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Cl)n1 794521 PUCRHBPNUMHBNR-UHFFFAOYSA-N 305.765 2.614 0 40 DFAB Cc1cc(N2CC[C@H](N[C@@H](c3ccccc3)C3CC3)C2=O)n(C)n1 104361723 SGHHDLSNKBWEOI-WMZOPIPTSA-N 324.428 2.575 0 40 DFAB Cc1ccoc1C(=O)N1CCN(c2ncccc2Cl)CC1 54100499 SJCRGCQMJDOOAN-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB CCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 29864 ZQWUYGCTBXHIOK-UHFFFAOYSA-N 319.382 2.805 0 40 DFAB C[S@](=O)C[C@@H](NC(=O)Nc1cccs1)c1ccccc1 72306124 ARVHMJJRUJRIAL-MPBGBICISA-N 308.428 2.989 0 40 DFAB Cc1nccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)n1 61790498 SXHGWVZMCHBYGI-UHFFFAOYSA-N 313.357 2.578 0 40 DFAB Cc1nc(SCC(=O)c2ccc[nH]2)n(C[C@H]2CCCO2)c1C 12530131 CUTSITLUMAPZLE-CYBMUJFWSA-N 319.430 2.982 0 40 DFAB CCN1C(=O)[C@@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 1320418 QNRUTRIEVFDSAE-JXFKEZNVSA-N 321.376 2.686 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cn1 106832052 SEXJIXLRYABKGA-DZKIICNBSA-N 317.433 2.568 0 40 DFAB NC1=Nc2nc3ccccc3n2[C@H](c2c[nH]c3ccc(F)cc23)N1 1430241 PWUWIJVRUAGUSM-OAHLLOKOSA-N 320.331 2.753 0 40 DFAB Cc1cc(I)cnc1NC(=O)C(C)C 6572465 KSYJZNPDDSIEHE-UHFFFAOYSA-N 304.131 2.589 0 40 DFAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 7881805 GVHSPBAXYZZRQW-ARWYELJZSA-N 314.429 2.730 0 40 DFAB CCOc1ccc2cc(C(=O)N(C)C3CCN(C)CC3)[nH]c2c1 56057505 RWGIKFZRDVFRTF-UHFFFAOYSA-N 315.417 2.733 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@H](c3cccs3)C(C)C)nn12 26802377 AOVWATYNGLFISG-LBPRGKRZSA-N 315.402 2.621 0 40 DFAB Cc1ccc(S[C@@H](C)[C@](O)(C(N)=O)c2ccccc2)cc1 8665433 QQDHDKCUVFNAQU-SUMWQHHRSA-N 301.411 2.849 0 40 DFAB CCCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 35655279 JJBHGSUPSHBGEK-UHFFFAOYSA-N 308.809 2.718 0 40 DFAB Cc1noc(Cl)c1CC(=O)NC[C@H]1CCOc2ccccc21 108823055 UXFVXECFYBCWLX-LLVKDONJSA-N 320.776 2.861 0 40 DFAB O=C(CSc1c(Cl)cccc1Cl)N1CCOCC1 57807190 LMFLDMAHRLYMSN-UHFFFAOYSA-N 306.214 2.944 0 40 DFAB O=C(NC(=S)NCc1ccco1)c1cc2ccccc2o1 9140896 QOVTYLPSJAPMBE-UHFFFAOYSA-N 300.339 2.830 0 40 DFAB COCCn1cc(C(=O)NCc2cc(C)no2)c2ccccc21 58407007 LGYXBBPGPNEQBB-UHFFFAOYSA-N 313.357 2.514 0 40 DFAB C[C@H](CCc1ccco1)NC(=O)CNC(=O)CC1CCCCC1 58407460 VLRCMVVOHZNGIE-CQSZACIVSA-N 320.433 2.804 0 40 DFAB O=C(O)CCN1C(=O)/C(=C\c2ccccc2)N=C1c1ccccc1 102623406 BOHJBUVCUOMMQL-DTQAZKPQSA-N 320.348 2.791 0 40 DFAB COc1ccc(COC(=O)[C@H]2COc3ccccc3O2)cc1F 2655213 LUCGNEDTLYFWSV-MRXNPFEDSA-N 318.300 2.718 0 40 DFAB NC(=O)CN(C(=O)c1cc2c(F)cccc2s1)C1CCCC1 47236506 UASOUIJFZMSMJV-UHFFFAOYSA-N 320.389 2.911 0 40 DFAB Cc1cnn(CCCNCc2cccc3c2OCCCO3)c1 95393455 LTVFYKDWIBIUSA-UHFFFAOYSA-N 301.390 2.533 0 40 DFAB OCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1F 48365581 OOXWGIFSNDWDHO-OAHLLOKOSA-N 304.296 2.540 0 40 DFAB CC(C)c1nc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c[nH]1 84622390 YLAQNCRBBQFLMW-GFCCVEGCSA-N 315.377 2.771 0 40 DFAB Cc1c(C(=O)N2CCN(C3CC3)CC2)oc2c(F)cccc12 62639985 DQEBKNITBJGMKO-UHFFFAOYSA-N 302.349 2.801 0 40 DFAB Cc1cc(C)c(C)c(OC(=O)CNC(=O)Cc2ccccc2)c1 48884336 ZCHKGNCBXPDSNW-UHFFFAOYSA-N 311.381 2.876 0 40 DFAB O=C(O)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 13166986 CYTRAUGHIYCSGG-UHFFFAOYSA-N 301.264 2.642 0 40 DFAB OCCn1cc(Nc2ncc(C(F)(F)F)cc2Cl)cn1 49322250 KUEDXGDEXWADSQ-UHFFFAOYSA-N 306.675 2.686 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)c(C)c1 4385112 QOJDKLQXBDBTKK-GFCCVEGCSA-N 315.398 2.752 0 40 DFAB COc1c(CNC[C@H](O)c2ccc(C)cc2)c(C(C)C)nn1C 65476854 ARUUTLQATSDYKP-INIZCTEOSA-N 317.433 2.684 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NO[C@H]1CCCCO1 65512578 IGNBKNALPAIUIK-SFHVURJKSA-N 317.385 2.713 0 40 DFAB COCCNCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 14135951 UUTQCIDWSUONIR-UHFFFAOYSA-N 314.385 2.962 0 40 DFAB COc1ccc(OCCNC(=O)c2ccc(F)cc2F)cc1 14183050 HOYVSHACBNLJSG-UHFFFAOYSA-N 307.296 2.782 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@H](C)c2ccco2)n1 66081321 PSHIPVAQIBGGIY-GFCCVEGCSA-N 310.357 2.724 0 40 DFAB CCn1ccnc1/C=C/C(=O)NCCc1c[nH]c2ccccc12 95451396 AZTYNSXXPXIEGY-BQYQJAHWSA-N 308.385 2.756 0 40 DFAB NC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCC2 6756592 RPRVLIJUCKSQRF-UHFFFAOYSA-N 302.355 2.947 0 40 DFAB O=C(CCN1CCC[C@H](c2ccccc2)CC1)N1CCOCC1 66897939 MQUWOAVWQBUWGI-SFHVURJKSA-N 316.445 2.505 0 40 DFAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1CC[C@H]2C[C@@H]2C1 408501952 QFMTUKAWQPEGJM-DJLDLDEBSA-N 319.835 2.643 0 40 DFAB CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccncc2)C12CCCC2 96420286 NOJCBYYZXSIMQB-HOTGVXAUSA-N 317.433 2.961 0 40 DFAB CCNC(=O)N1CC[C@@H](N[C@H]2CCSc3ccccc32)C1 90409807 AJELRQIZYVDPGU-OCCSQVGLSA-N 305.447 2.617 0 40 DFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c(s1)CC[C@@H](C)C2 68100863 RZFSCUTVPHJGLQ-GRYCIOLGSA-N 320.458 2.599 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 7608085 DPVRFGWEFCPVAU-CJNGLKHVSA-N 304.415 2.696 0 40 DFAB Cn1cc([C@H]2C[C@@H]2C(=O)NCCCn2ccc3ccccc32)cn1 68410664 STEYWMXNTDLVNQ-SJORKVTESA-N 322.412 2.685 0 40 DFAB COC(=O)c1ccc(N[C@H]2CCN(C(C)C)C2=O)cc1Cl 81158936 NPTCUPBWRHMZHC-ZDUSSCGKSA-N 310.781 2.548 0 40 DFAB CN(C)C(=O)COC(=O)c1ccccc1CCc1ccccc1 7984574 YHEUZSXHGLRQRT-UHFFFAOYSA-N 311.381 2.717 0 40 DFAB COc1ncccc1N(C)C(=O)c1nc(C2CC2)n2ccccc12 91057936 QEOJMUYOUZUNBR-UHFFFAOYSA-N 322.368 2.892 0 40 DFAB COC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2O1 16806534 RAIIVHDSNCGPAR-MRXNPFEDSA-N 311.337 2.576 0 40 DFAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCN2CCC[C@@H]2C1 69387207 LIBUUNXEIGVVSW-HUUCEWRRSA-N 311.429 2.909 0 40 DFAB Cc1cc(=O)c(C(=O)NCc2ccccc2COC(C)C)c[nH]1 95405495 AIVWMDPNZPTVKX-UHFFFAOYSA-N 314.385 2.538 0 40 DFAB Cc1noc([C@@H](C)N2CCCN(C(=O)CC3CCCC3)CC2)n1 69586573 MYJAHIXYAXJENK-CYBMUJFWSA-N 320.437 2.554 0 40 DFAB O=C(Nc1ccn(-c2ccccc2)n1)N[C@H](CO)c1ccccc1 69590411 KJRQYPSFLUGJIS-MRXNPFEDSA-N 322.368 2.727 0 40 DFAB CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 69581786 CABIMBYSUUWBNW-ZIAGYGMSSA-N 320.458 2.631 0 40 DFAB CCc1nc(CCNC(=O)COc2ccccc2)sc1C 69817642 PBFMQOHTHCIGEF-UHFFFAOYSA-N 304.415 2.752 0 40 DFAB Cc1csc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)n1 72298740 CCVJOIOODSVJKB-AWEZNQCLSA-N 318.446 2.834 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1ccco1 84290463 NOWRKTGEMZRVRU-ZIAGYGMSSA-N 309.369 2.858 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(-c3cnco3)cc1)C2 97198058 PPGNSVQALJOTBD-OAHLLOKOSA-N 322.368 2.591 0 40 DFAB CC1CCN(CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 9950991 UBPFFTIVDRRGCW-KBXCAEBGSA-N 321.465 2.813 0 40 DFAB CCOC(=O)c1sc2nc(C)nc(N[C@H](C)COC)c2c1C 9951122 PSLYYZJHOYBFRI-MRVPVSSYSA-N 323.418 2.932 0 40 DFAB COc1cccc(NC(=O)c2cc(OC)c(OC)cc2N)c1 26386537 UPVWOUWFOSVGMQ-UHFFFAOYSA-N 302.330 2.547 0 40 DFAB COC[C@]1(NC(=O)c2cc(C)cs2)COc2ccccc2C1 529956907 IKMKKINALXFAJJ-KRWDZBQOSA-N 317.410 2.807 0 40 DFAB CCOC(=O)c1ccc(CNC(=O)c2cccc3[nH]ccc23)o1 79948125 FAQLGGKWGQFXKC-UHFFFAOYSA-N 312.325 2.868 0 40 DFAB Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)[nH]1)C(=O)N2 33435802 FVBHOCJOSXCVAH-UKTHLTGXSA-N 303.321 2.724 0 40 DFAB O=C(Cc1cccc(Br)c1)NCc1cccnc1 123735719 UDMIKWJZNPQSQR-UHFFFAOYSA-N 305.175 2.703 0 40 DFAB COc1ccc([C@H]2CCN(Cc3occc3C(=O)O)C2)cc1 563278361 ITMBZIWFZSUYLD-ZDUSSCGKSA-N 301.342 2.976 0 40 DFAB CCn1cccc1-c1noc(CNC(=O)c2cc(C)oc2C)n1 225768821 FUJYBHQVFOMNAE-UHFFFAOYSA-N 314.345 2.698 0 40 DFAB COc1cccc(F)c1NC(=O)N(C)CC1(N(C)C)CCC1 225470448 QXGMTKISULCHIA-UHFFFAOYSA-N 309.385 2.782 0 40 DFAB Cc1ccc(Nc2cc(N3CCC(C(=O)O)CC3)ncn2)cc1 40487614 VHCBPBBQLUUCBQ-UHFFFAOYSA-N 312.373 2.830 0 40 DFAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)NCc2ccccc2F)C1 226848951 OSTXRHISGYOSDD-SJORKVTESA-N 312.388 2.787 0 40 DFAB CC[C@@H](NC(=O)CNC[C@H]1CCCO1)c1cccc(Cl)c1 195543163 PVDHNIGGTGRMNV-HUUCEWRRSA-N 310.825 2.676 0 40 DFAB COc1ncccc1C(=O)NCc1cccnc1-c1ccco1 225661236 LSFQIUCFTRKNBI-UHFFFAOYSA-N 309.325 2.675 0 40 DFAB Cc1nnc(CN(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)o1 230123560 QBJILTMHDMSISW-PBHICJAKSA-N 314.433 2.720 0 40 DFAB O=C(NC[C@@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)c1ccco1 96206036 WSEITRNRILRUNU-MAUKXSAKSA-N 318.417 2.576 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)NCc2scnc2C)C12CCCC2 96439854 MCAQFHPVBRBVBD-KBPBESRZSA-N 323.462 2.989 0 40 DFAB Cc1ccc(Cn2nnc(C(=O)N3CCCC3)c2Cl)cc1 96183536 PYKXDWXPRYEYCP-UHFFFAOYSA-N 304.781 2.524 0 40 DFAB CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N=C1C 96261427 LLXAGEUEBPEZIC-ZIFCJYIRSA-N 311.429 2.548 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1F 96423564 ZDSVQLSPVAZQGX-LSDHHAIUSA-N 320.383 2.811 0 40 DFAB Cc1cccc(NC2CCN(C(=O)c3cnc(C)cn3)CC2)c1 96420971 RZDVBMVLKPKCCK-UHFFFAOYSA-N 310.401 2.810 0 40 DFAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(N(C)C)ccn1 97101823 WQRBSLXTEIKKMB-NSHDSACASA-N 317.414 2.600 0 40 DFAB CCOc1cccc(NC(=O)Cc2sc(S)nc2C)n1 96445606 WTYQJKLXVNVOSO-UHFFFAOYSA-N 309.416 2.715 0 40 DFAB O=C(Nc1ccc(Cl)cc1)c1nc2c(s1)CCNCC2 96146898 WSXYTSWJNBGHNL-UHFFFAOYSA-N 307.806 2.737 0 40 DFAB Cc1noc([C@H]2CCC3(CCN(C(=O)C4=CCCC4)CC3)O2)n1 96109971 IRBXZMNYRZOSFV-CQSZACIVSA-N 317.389 2.701 0 40 DFAB CC(C)CN1CCC2(CCN(Cc3nccs3)CC2)C1=O 96046766 DJQRRJKLUMFDJX-UHFFFAOYSA-N 307.463 2.614 0 40 DFAB COc1cccc(CC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)c1 257277186 NWTZKUYPMTVXGO-HKUYNNGSSA-N 316.445 2.761 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)s1 257212015 CBOCZQHDSQMUAW-NSHDSACASA-N 303.387 2.572 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(c3ccccn3)CC2)n1 257295892 RAIFXKCNEMYIGE-UHFFFAOYSA-N 320.400 2.954 0 40 DFAB Cc1csc(Nc2cccc(C3CCN(CCO)CC3)n2)n1 257232007 GIZCXKPCKYYYNW-UHFFFAOYSA-N 318.446 2.762 0 40 DFAB Cc1c(O)nc2c(I)cccc2c1O 606298986 BWMVNJYMIOUGFI-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB Cc1cc([C@H]2CN(C(=O)c3ccc(C)s3)CCO2)ccn1 257216709 CVTQGTGSIUSIBH-CQSZACIVSA-N 302.399 2.974 0 40 DFAB Cc1cncc(C2CCN(C(=O)CC3(O)CCCCC3)CC2)n1 257228596 FUMQSIKEXVNKQJ-UHFFFAOYSA-N 317.433 2.576 0 40 DFAB CNc1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)nc1 1542716803 GYQHXTMEPJTGGH-UHFFFAOYSA-N 308.385 2.886 0 40 DFAB O=C(CCc1ccsc1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263167793 YMTUCSOTBOSLSP-LBPRGKRZSA-N 321.320 2.546 0 40 DFAB O=C(N1CCc2ncc(-c3ccccc3)n2CC1)C1(F)CCC1 585111320 OJNLRAOCOPVHKY-UHFFFAOYSA-N 313.376 2.827 0 40 DFAB Cc1ccc(CC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 47360117 FOAGKXSVHLIXJT-UHFFFAOYSA-N 317.410 2.693 0 40 DFAB Cc1cnc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 74445733 RYLUUWHXFKOSTE-QGZVFWFLSA-N 324.428 2.522 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)N2CCn3cccc3[C@@H]2C)C12CCC2 74605395 SAFSZRMCEVPCDH-NUEKZKHPSA-N 317.433 2.922 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)N1C[C@@H]2CC=CC[C@H]2C1 76085211 LVIGXSONSNYLOY-IRXDYDNUSA-N 322.412 2.980 0 40 DFAB C[C@@](O)(CNC(=O)C/C=C/c1cccc(F)c1)c1ccco1 81835530 GMKVUGMYWLEVCR-ZNNBYXKUSA-N 303.333 2.846 0 40 DFAB Cc1cccc(NC(=O)CNC(=O)NCc2ccccc2)c1C 12972198 RFDKRLNVHVKPGV-UHFFFAOYSA-N 311.385 2.741 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2ccccc2F)CC1 13266958 FGCSKQUFGWJIHE-UHFFFAOYSA-N 304.340 2.843 0 40 DFAB Cc1cccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)c1 15674536 XPOXDUVYVDJIPP-UHFFFAOYSA-N 301.375 2.870 0 40 DFAB COc1ccccc1-c1nn2c(=O)c3ccccc3nc2s1 17031940 ILPVKXUSEPJSKF-UHFFFAOYSA-N 309.350 2.980 0 40 DFAB COC(CN1CCN(C)CC1)(c1ccccc1)c1ccccc1 19365812 XHTZYGRTOJEXNB-UHFFFAOYSA-N 310.441 2.824 0 40 DFAB CN(C)c1nccc(N2CCC[C@@H]2Cn2cnc3ccccc32)n1 535908300 JWZDYNTYYAOCGE-CQSZACIVSA-N 322.416 2.561 0 40 DFAB O=C(CSc1ncnc2sccc12)NCc1ccco1 3604386 LCMLZECTTIENEQ-UHFFFAOYSA-N 305.384 2.693 0 40 DFAB Cc1nc2ccccc2c(=O)n1CC1CCN(CC2CC2)CC1 1848746566 OTHACUMUEOONDT-UHFFFAOYSA-N 311.429 2.827 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888843077 AVFJNMAJFQMMRC-TZMCWYRMSA-N 315.417 2.627 0 40 DFAB Cn1nccc1-c1ccc(CNC(=O)NCc2cccs2)o1 1888950864 ZMQXHZQITUDXPS-UHFFFAOYSA-N 316.386 2.741 0 40 DFAB NC(=O)[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 14712417 CPRHQQDNIWOYQO-SFIVQVFOSA-N 313.397 2.973 0 40 DFAB CNC(=O)c1c(NC(=O)Cc2ccccc2)sc(C)c1C 5144983 PDQLVLWLQJWPJV-UHFFFAOYSA-N 302.399 2.906 0 40 DFAB Clc1cnc(N2CCC[C@@H](COc3nccs3)C2)nc1 2298182795 WSNXIKVXNSDMHE-SNVBAGLBSA-N 310.810 2.882 0 40 DFAB CCc1nn2c(=O)cc(CNc3cc(F)cc(F)c3)nc2s1 40018021 ILBJPIQSNTVOOF-UHFFFAOYSA-N 322.340 2.604 0 40 DFAB O=C(c1ccc[nH]c1=S)N1CCN(Cc2cccs2)CC1 40489358 UPGFQMAWIIWYNC-UHFFFAOYSA-N 319.455 2.764 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)n1 40556015 DYSAKOHYZZAQGJ-LLVKDONJSA-N 304.325 2.929 0 40 DFAB Cc1nn(C[C@H](O)c2ccc(F)cc2F)c(=O)c2ccccc12 51289743 XZNOOZSKUTWCMR-INIZCTEOSA-N 316.307 2.717 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc(O)c2)[C@H]1c1ccccc1 20717598 BOMVTGBWSSQEOX-SJLPKXTDSA-N 324.380 2.940 0 40 DFAB COCCCNC(=S)Nc1cc(C)c(Cl)cc1OC 20835311 KRLBFIGFBAYNQP-UHFFFAOYSA-N 302.827 2.980 0 40 DFAB CC[C@H](CNC(=O)CSc1nnc(N)s1)c1ccccc1 22871327 TXDWHEOWKNGXCV-SNVBAGLBSA-N 322.459 2.522 0 40 DFAB CC(C)CO[C@H](C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 42385863 JIOMXEYVROGIIW-OAHLLOKOSA-N 315.417 2.892 0 40 DFAB Nc1c2c(nn1-c1ccccc1)C(=O)N(CCc1ccccc1)C2 1556026 UAZMGWFPUSYEDW-UHFFFAOYSA-N 318.380 2.653 0 40 DFAB Cc1cccc2nnc(CCCc3nnc4cccc(C)n34)n12 1567440 QTGIRTGLRPKIPH-UHFFFAOYSA-N 306.373 2.564 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 3391939 MFYWBVTYEDQQCO-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(F)cc1 3474012 FKVUUKUAHXMNHV-UHFFFAOYSA-N 308.696 2.670 0 40 DFAB Cn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 4005104 OLWJJCVFMLQOBB-UHFFFAOYSA-N 305.447 2.597 0 40 DFAB N[C@H](CC(=O)c1sc(Cl)c(Cl)c1Cl)C(=O)O 4029038 QOAMMBGWLWUOGJ-UWTATZPHSA-N 302.566 2.693 0 40 DFAB biogenic O=C1c2[nH]c3ccccc3c2C[C@H]1N1C(=O)c2ccccc2C1=O 5104790 WDNNJVLODKBFAB-OAHLLOKOSA-N 316.316 2.572 0 40 DFAB COc1ccc(OC)c(NC(=O)Cn2cnc3ccccc32)c1 5198887 LBTXXSUENFEKCU-UHFFFAOYSA-N 311.341 2.692 0 40 DFAB COc1ccc(NC(=O)c2ccco2)cc1N1CCCC1=O 5440959 MYMTVSSJBFUXRL-UHFFFAOYSA-N 300.314 2.667 0 40 DFAB COc1cccc(C(=O)OCCOc2ccccc2F)c1O 6898171 UOXSFRMGSOLCEI-UHFFFAOYSA-N 306.289 2.776 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1 8059972 HAQBUHKXGBBKRP-UHFFFAOYSA-N 319.426 2.969 0 40 DFAB Cc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 8571536 MZAQVYGUWGVOBS-UHFFFAOYSA-N 318.398 2.643 0 40 DFAB C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1ccccc1 9232596 SJHQBKGJWNZMLF-GFCCVEGCSA-N 300.333 2.684 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1 10261846 LQXBYRRZUMKKBG-SECBINFHSA-N 303.284 2.896 0 40 DFAB O=C(O)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 11864925 OHWGIJFIBCXBLH-QGZVFWFLSA-N 314.360 2.774 0 40 DFAB COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 12873752 SDHDKZJTROUTCS-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB COc1ccc(C)cc1NC(=O)COc1ccccc1C(=O)O 13080146 SVFNYFDCBXVSHH-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 13478457 KTVBTWYJJBENCJ-QGZVFWFLSA-N 312.344 2.944 0 40 DFAB Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1F 14169932 QRXOFIUDJYCCNS-ZDUSSCGKSA-N 301.317 2.704 0 40 DFAB Cc1cccc(NC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 18176638 DDEHKPIQPBIJPF-UHFFFAOYSA-N 322.368 2.895 0 40 DFAB CCc1nc2nc(CSc3ccc(C)cc3)cc(O)n2n1 18240849 NKLJANVPNTUOMI-UHFFFAOYSA-N 300.387 2.993 0 40 DFAB O=c1c2ccccc2nnn1C1CCN(Cc2ccccc2)CC1 21155677 AKFHYOXNTYCUKT-UHFFFAOYSA-N 320.396 2.629 0 40 DFAB O=C(Cc1csc(-c2cccs2)n1)Nc1ncccn1 21211437 TYNBEIBBRVUNQM-UHFFFAOYSA-N 302.384 2.843 0 40 DFAB CN1CCN(Cc2ccccc2C(=O)c2ccccc2F)CC1 22028218 PSYDDKNLNNDABG-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB Fc1cc2c(c(CSc3nncn3C3CC3)c1)OCOC2 22542156 JRKFGWLQNLLHEY-UHFFFAOYSA-N 307.350 2.911 0 40 DFAB CN1CCC(CNC(=O)c2cccc(Br)c2)CC1 23013663 XRWGTVCOVMLXFE-UHFFFAOYSA-N 311.223 2.521 0 40 DFAB Cc1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 24179044 JFOCTMILRVHBOV-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1 24629437 UIIWUCZNNYEHOZ-VIFPVBQESA-N 310.275 2.885 0 40 DFAB CN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 24716158 YNEQNODDCBYCFV-UHFFFAOYSA-N 316.361 2.837 0 40 DFAB C/C=C/C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24863892 JKNKLGFCQFGGJT-GORDUTHDSA-N 300.339 2.529 0 40 DFAB Cc1cc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)no1 25136680 QTZRHWGMSSBHGS-UHFFFAOYSA-N 322.748 2.680 0 40 DFAB Cc1ccc(CN(C(=O)c2cccc(C(N)=O)c2)C2CC2)cc1 25293631 NWRWLYDJFMYBJB-UHFFFAOYSA-N 308.381 2.899 0 40 DFAB O=C(NCCc1cn2ccccc2n1)c1ccc(F)cc1F 25524543 OLGOIBPIIFJQOA-UHFFFAOYSA-N 301.296 2.585 0 40 DFAB CCn1ncc(Br)c1C(=O)Nc1nc(C)cs1 27489485 DLZGHTVPTABXKO-UHFFFAOYSA-N 315.196 2.683 0 40 DFAB CCCc1cc(C(=O)Nc2cccc(NC(=O)CC)c2)[nH]n1 29077146 MRYVTLGNFMYORB-UHFFFAOYSA-N 300.362 2.963 0 40 DFAB CC[C@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCO1 29153968 BGOPQMVZNUKNGA-IJDCCNJMSA-N 311.385 2.523 0 40 DFAB Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)n(C)n1 29274183 BLHORCQMZZZVAV-UHFFFAOYSA-N 313.279 2.765 0 40 DFAB CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 29482731 SNXZSPKJYNHQIA-MRXNPFEDSA-N 324.380 2.973 0 40 DFAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(C)s1)C2 32074887 QTDBJGGXPWLAAN-GFCCVEGCSA-N 322.411 2.763 0 40 DFAB COc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)cc1 32823840 ZZMHMDHBUXXZKH-SNVBAGLBSA-N 320.418 2.800 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)N2NN=NC2=N1 35148030 PYSITMSZYUZQNJ-CQSZACIVSA-N 313.361 2.758 0 40 DFAB Cc1cnc(SCC(=O)NCc2ccccc2Cl)nc1 36390884 KILPSBMKABNCSL-UHFFFAOYSA-N 307.806 2.847 0 40 DFAB CC(C)(C)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 36699940 OWQPUTDLCGCSBD-MRXNPFEDSA-N 304.434 2.612 0 40 DFAB C[C@H](C(=O)Nc1cccnc1)n1nc(-c2ccccc2)ccc1=O 38670916 KTIIJFCFERDAKI-CYBMUJFWSA-N 320.352 2.505 0 40 DFAB CCc1nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc1C 40142617 BRSHLANULWLBQX-CYBMUJFWSA-N 316.382 2.734 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(Cl)ncn2)C1 40434292 DWPXQRGREYRYNW-SNVBAGLBSA-N 312.801 2.624 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@H]2CCCC[C@@H]21 41194986 VMAPFGLBQISGQV-KBPBESRZSA-N 315.822 2.672 0 40 DFAB Cc1ccccc1N1CCN(C(=O)c2cccc3[nH]ncc23)CC1 42017910 QAOPEZIDKQDLFR-UHFFFAOYSA-N 320.396 2.834 0 40 DFAB Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 42646237 RFULVPISVUMCCB-LBPRGKRZSA-N 300.333 2.950 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NCC1(N(C)C)CCCC1 42766747 UMPCDDSCTCJWEF-OAHLLOKOSA-N 304.434 2.582 0 40 DFAB O=C(NCc1ccoc1)NC[C@@H](c1ccco1)N1CCCCC1 43137048 PQRLGRGSFIDTLD-HNNXBMFYSA-N 317.389 2.899 0 40 DFAB COCCn1cnnc1SCc1coc(-c2ccccc2)n1 43463814 SPYLDVCMYHCWDN-UHFFFAOYSA-N 316.386 2.872 0 40 DFAB Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)c(O)c1 44934060 WXEVQTWIKIUEEG-UHFFFAOYSA-N 303.362 2.952 0 40 DFAB CC(C)n1ncc2cc(NC(=O)N[C@@H](C)[C@H]3CCCO3)cnc21 44951332 JQGYPOVVNQGFSW-SMDDNHRTSA-N 317.393 2.701 0 40 DFAB CC(=O)c1cc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)n(C)c1 47005959 DALOJRJGTLWUNL-MLGOLLRUSA-N 306.406 2.553 0 40 DFAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCN2CCCC[C@H]12 47226765 HMYVQFWFYVESFR-RBUKOAKNSA-N 324.424 2.962 0 40 DFAB COc1ccc2nc(C(=O)N3CCO[C@@H]4CCC[C@H]43)ccc2c1 53377029 ZUOFTFCKWBPHEE-IAGOWNOFSA-N 312.369 2.637 0 40 DFAB O=C(CCc1ccccc1)Nc1ccccc1Cn1cncn1 55968998 LOAWOSDPZGHWPF-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2ccccc2)n1 57526442 HRXBITVITDAYTD-UHFFFAOYSA-N 319.364 2.857 0 40 DFAB C[C@H](NC(=O)c1ccc(Cl)cc1F)C(=O)NCc1ccco1 58280640 YXWHCDRSWKCCTB-VIFPVBQESA-N 324.739 2.507 0 40 DFAB CCc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 58283232 NYEQSLSEEPSPMC-UHFFFAOYSA-N 306.797 2.608 0 40 DFAB NC(=O)c1ccccc1OCc1ccn(-c2cccc(F)c2)n1 58294996 VSSIOCILCCESME-UHFFFAOYSA-N 311.316 2.689 0 40 DFAB Cc1c([C@H](C)NC(=O)COC(C)C)cnn1-c1ccc(F)cc1 58341220 VOGHZIBFRGQRKB-LBPRGKRZSA-N 319.380 2.922 0 40 DFAB C[C@H]1CN(c2ccc(NC(=S)NC3CC3)cc2)C[C@H](C)O1 64377460 DRHDCHQIQCTUSX-RYUDHWBXSA-N 305.447 2.749 0 40 DFAB CCNc1ccnc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 65372197 NKYQJRDPACLGGV-CQSZACIVSA-N 312.417 2.969 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccccc2C)c1 67010517 APSQKYFRGJYPFI-AWEZNQCLSA-N 318.442 2.754 0 40 DFAB CC(C)(C)OC(=O)N1CCC(COc2ccc(N)cn2)CC1 67800823 PFAMFNIEJDWGSS-UHFFFAOYSA-N 307.394 2.690 0 40 DFAB O=C(CCc1ccsc1)NCc1cccc2c1OCCO2 69485237 CSQWPQUXUUHJFV-UHFFFAOYSA-N 303.383 2.768 0 40 DFAB COc1ccc(CCC(=O)NC[C@H](O)C2CCCCC2)cc1 69496280 OPNKKJFSYWINKW-KRWDZBQOSA-N 305.418 2.685 0 40 DFAB COC(=O)[C@@H](NC(=O)[C@H]1CC=CCC1)c1cc(F)ccc1F 69566005 KTJAWUYEKDDMLG-HZMBPMFUSA-N 309.312 2.651 0 40 DFAB Cn1nnc2cc(C(=O)N3CCCc4ccc(F)cc43)ccc21 69629052 JACIXLDXEFMWKJ-UHFFFAOYSA-N 310.332 2.700 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 69870423 PVWDDGNVNLOQKM-CQSZACIVSA-N 324.371 2.874 0 40 DFAB Cc1nc2n(n1)C[C@@H](NCCOc1cccc3ccccc13)CC2 69951255 ZHTMAVTWWNPHFR-INIZCTEOSA-N 322.412 2.723 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)COC2CCCCC2)c1 71869856 TVWCSCPFHSKPPM-HNNXBMFYSA-N 305.422 2.532 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1 71893681 QALZMXLGRITVEO-ZFWWWQNUSA-N 303.406 2.845 0 40 DFAB C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203957 KAWJOCDWQLGMAB-KBPBESRZSA-N 320.437 2.774 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2F)cc1C 72333834 JMYQPOPYCUMSCQ-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB CSC[C@@](C)(O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 75143731 PYLGBPWUOYLZQN-LBPRGKRZSA-N 322.352 2.941 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 75602215 BGUWWILVWMUEDR-LLVKDONJSA-N 322.796 2.964 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 78948681 CJPDMTJKEJSHQB-BHYGNILZSA-N 320.433 2.716 0 40 DFAB C[C@@H](Cc1cccs1)NC(=O)N[C@H](CO)c1ccccc1 79144500 YVWPUNHEQGHERM-SWLSCSKDSA-N 304.415 2.712 0 40 DFAB Cn1cc(CCC(=O)Nc2cc3ccccc3cc2C(=O)O)cn1 89755620 IENXDEQTTQULGT-UHFFFAOYSA-N 323.352 2.843 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)N1CCC[C@H]2CCC[C@@H]21 95404663 MEEAUZJRGQUXPE-RQVMVGKASA-N 320.458 2.768 0 40 DFAB Cc1cnn(CCCNC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c1 95411224 QOIHBZMSDISMKV-OAGGEKHMSA-N 304.438 2.944 0 40 DFAB OC[C@@H](NCc1cccc(-n2cccn2)c1)c1ccccc1F 95415490 VANYGNWFFMOHMO-GOSISDBHSA-N 311.360 2.835 0 40 DFAB Cc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)s1 95417089 GOSUVOHZRLVOTA-INIZCTEOSA-N 316.426 2.858 0 40 DFAB CN(Cc1nccn1C)C(=O)[C@H](OC(C)(C)C)c1ccccc1 95435946 SCRZNEUDFPJAOV-MRXNPFEDSA-N 315.417 2.935 0 40 DFAB Cc1ccc(C)c(CN2CCC(C(=O)Nc3ncccn3)CC2)c1 95952948 PGCTWZZWGPRBPM-UHFFFAOYSA-N 324.428 2.944 0 40 DFAB Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)nn1 96039811 UIFQNMIMHHGLOL-FUHWJXTLSA-N 317.433 2.587 0 40 DFAB O=C1N(c2ccsc2)CC[C@@]12CCCN(c1ncccn1)C2 96048753 XZUULSKAMKLJNC-MRXNPFEDSA-N 314.414 2.562 0 40 DFAB Cn1nc(CNC(=O)CSc2ccc(F)cc2)cc1C1CC1 96099321 BFNWJBRROHVRCD-UHFFFAOYSA-N 319.405 2.845 0 40 DFAB C[C@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2[nH]1 96118586 VGDJZXLGUYAXIA-LBPRGKRZSA-N 321.380 2.918 0 40 DFAB Cc1cccc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)n1 96216150 XHFKVDFEFNVPTN-IBGZPJMESA-N 323.444 2.673 0 40 DFAB CCc1noc(CN2CCC(Oc3ccc(F)cc3)CC2)n1 96406616 RITOIORIDVMROE-UHFFFAOYSA-N 305.353 2.815 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@H](O)c1ccsc1 96445796 RMLPXFNLUQQUQR-AWEZNQCLSA-N 304.415 2.627 0 40 DFAB CC1CCN(C(=O)C[S@@](=O)Cc2ccc3c(c2)CCC3)CC1 96448124 JEFWBFCXXZTKHR-JOCHJYFZSA-N 319.470 2.683 0 40 DFAB CCS[C@@H]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)C1 96451514 YDANWLHWVWJVKS-VXGBXAGGSA-N 311.451 2.531 0 40 DFAB OC[C@H]1CCCN1Cc1cc(Br)cc2cccnc12 96469684 OJCLIEWRMDDAEO-CQSZACIVSA-N 321.218 2.954 0 40 DFAB O[C@H](CN[C@@H]1CCSC1)c1ccc(OC(F)(F)F)cc1 96476793 GGJGFLPHGOGQKL-ZYHUDNBSSA-N 307.337 2.714 0 40 DFAB O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 96503129 RFWNEIUVWXEYIK-IXDOHACOSA-N 318.417 2.775 0 40 DFAB CN(Cc1ccc(C(=O)O)cc1)C(=O)Cc1cc(F)ccc1F 97018513 QLSUFVOXPJXYTI-UHFFFAOYSA-N 319.307 2.864 0 40 DFAB CCC(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 97081863 ZTRDRMFJMMSYLK-OAHLLOKOSA-N 314.788 2.819 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 97109988 IKDXQEWXKCLVCF-NEPJUHHUSA-N 300.406 2.747 0 40 DFAB CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccncc1F 97135789 UBGFPUUCHGKWQE-UHFFFAOYSA-N 302.353 2.951 0 40 DFAB CON(C)C(=O)NCc1cccnc1Oc1cccc(F)c1 97377730 JGKQCCZYBVRXEE-UHFFFAOYSA-N 305.309 2.716 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 98014150 PEHZJMJTDPBKDM-RDJZCZTQSA-N 313.401 2.626 0 40 DFAB CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186271 UZALNYNQEBRSDO-RKVPGOIHSA-N 319.376 2.701 0 40 DFAB O=C1c2ccccc2C(=O)C1c1ccc(N2CCOCC2)cc1 107190835 ZPPQKCMOSONDHM-UHFFFAOYSA-N 307.349 2.686 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cn1 107329786 KLXXNWVLBLKDGL-KKUMJFAQSA-N 315.417 2.683 0 40 DFAB CCN1CC2(CCC1=O)CCN(Cc1cccc(C)n1)CC2 108524334 POXPZRBJRMWXLG-UHFFFAOYSA-N 301.434 2.615 0 40 DFAB CC[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@H]1CCCO1 190338037 OIQAJELUXZJOJV-TUVASFSCSA-N 312.454 2.694 0 40 DFAB CCN(Cc1ccccn1)S(=O)(=O)c1cc(C)ccc1OC 195343913 IGVWPONOJCUPRU-UHFFFAOYSA-N 320.414 2.609 0 40 DFAB O[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 195553849 CQCQYPJKHSYXKG-OALUTQOASA-N 305.381 2.889 0 40 DFAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NCC 224592711 LTDUMYPRCRPZSP-MRXNPFEDSA-N 320.433 2.739 0 40 DFAB CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1 225311895 OFBZSICNRQZVDC-UHFFFAOYSA-N 304.415 2.788 0 40 DFAB O=C(NCCOCC1CCC1)c1ccncc1C(F)(F)F 225744474 YUFNRVJWEZOEQR-UHFFFAOYSA-N 302.296 2.647 0 40 DFAB CCOCCCNC(=O)c1snnc1-c1ccc(F)cc1 225781136 VGLLODPATYBJCI-UHFFFAOYSA-N 309.366 2.501 0 40 DFAB COC(=O)c1cc(NC(=O)C(F)(F)F)ccc1OC(C)C 225782068 XYVNBDXRKNMWAM-UHFFFAOYSA-N 305.252 2.761 0 40 DFAB CC1(c2nccs2)CCN(C(=O)Cc2cccnc2)CC1 257216458 CUPCWJLOKIJBBX-UHFFFAOYSA-N 301.415 2.661 0 40 DFAB Cc1nccc([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)n1 257269275 MPHMBQGGJLYFSX-QGZVFWFLSA-N 321.380 2.925 0 40 DFAB COc1cncc(C(=O)N2CCCc3c(C)ccc(F)c32)n1 276740905 KMWLCPUJFYDVJH-UHFFFAOYSA-N 301.321 2.526 0 40 DFAB O=C(OC[C@@H]1[C@H]2C=CC=C[C@H]2[C@H]2C=CC=C[C@H]21)N1CC[C@H](O)C1 299888571 OVXDXVYMAORQCD-KHHDSSOXSA-N 313.397 2.536 0 40 DFAB O=C(NCc1cccs1)c1ccc(OC[C@H]2CCCO2)nc1 390825783 BIOBRWNLIYQJCA-CYBMUJFWSA-N 318.398 2.631 0 40 DFAB CCn1ccnc1[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 555462576 QXJAJTNXDCWAHU-ZDUSSCGKSA-N 301.394 2.891 0 40 DFAB Cc1nc2ccccn2c1C(=O)NCc1cncc(C2CC2)c1 575606143 KUZRURUCPATLTD-UHFFFAOYSA-N 306.369 2.845 0 40 DFAB O=C(NCCn1cccn1)N1C[C@H](c2ccccc2)C2(CCC2)C1 579566552 AQISAXJTHQYUSK-QGZVFWFLSA-N 324.428 2.862 0 40 DFAB Cc1cccc2c1sc(=O)n2CC(=O)N1CCCC[C@H]1C 583380869 KDWINTKNCFXETQ-GFCCVEGCSA-N 304.415 2.772 0 40 DFAB C[C@H](CNC(=O)C1(c2ccccn2)CC1)Oc1cccc(F)c1 585141309 SMLARIREEGVDGD-CYBMUJFWSA-N 314.360 2.836 0 40 DFAB Cc1cnc(OC2CCN(C(=O)c3cccc(C)c3)CC2)nc1 655259017 SNZPWIVAQSAITM-UHFFFAOYSA-N 311.385 2.777 0 40 DFAB CSCC[C@H](O)CNC(=O)Nc1ccccc1C(F)(F)F 1775967648 ZJQYXCAKPQUJTG-VIFPVBQESA-N 322.352 2.941 0 40 DFAB CCn1cc(N[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c(C)n1 2037963982 PTRODCTYFUQMAH-CGTJXYLNSA-N 315.417 2.984 0 40 DFAB COc1ccc(OC)c(-c2[nH]c(C=O)nc2Br)c1 1857794565 AWVSQJZBLHJIIS-UHFFFAOYSA-N 311.135 2.669 0 40 DFAB Cc1ccc(NC(=O)CCC(=O)[C@@H]2CC(=O)CCC2=O)cc1C 408421 LQXRUCLQFCCPQP-OAHLLOKOSA-N 315.369 2.530 0 40 DFAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccco1 558058 VVKOFXHAAJXVLC-UHFFFAOYSA-N 311.326 2.698 0 40 DFAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1 2664529 KBLSZQCIVVPEKQ-QGZVFWFLSA-N 313.357 2.567 0 40 DFAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc(-c2ccco2)on1 25011593 KFFAEYFLQVECIV-UHFFFAOYSA-N 321.296 2.768 0 40 DFAB Cc1cc(NC(=O)NCCOc2ccc(Cl)cc2)n(C)n1 43434743 GAFKVCYKEXIAOC-UHFFFAOYSA-N 308.769 2.582 0 40 DFAB CC(=O)c1ccc(OCc2cc(=O)n3c(C)cccc3n2)cc1 6880872 FDJWZYVQGIQFLL-UHFFFAOYSA-N 308.337 2.785 0 40 DFAB CC(=O)c1cn([C@@H](C)C(=O)NC[C@H]2CCCO2)c2ccccc12 6955862 CYTWFSKYADGCEP-GXTWGEPZSA-N 314.385 2.700 0 40 DFAB O=C(O)Cc1ccc(NC(=S)NCc2ccccc2)cc1 7094605 FWKAMNQBBDARBM-UHFFFAOYSA-N 300.383 2.800 0 40 DFAB CCOc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1 7407514 VDBAMDRFCYNVSA-UHFFFAOYSA-N 319.386 2.832 0 40 DFAB O=C(O)[C@@H]1CCCN1CCOc1ccc(Cl)cc1Cl 35302154 LZXDEQNECHHADJ-NSHDSACASA-N 304.173 2.921 0 40 DFAB CCOCCO[C@H](C)C(=O)NCc1ccsc1-n1cccc1 57356530 SQHKTJGRXOUDCB-CYBMUJFWSA-N 322.430 2.597 0 40 DFAB CCOc1ccccc1CNC(=O)COc1cccc(OC)c1 53161765 BLVOJPYRIPXLEA-UHFFFAOYSA-N 315.369 2.789 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(N)s2)ccc1Cl 8336225 WTZAAOXNKQZFLB-UHFFFAOYSA-N 314.823 2.813 0 40 DFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CN2CCCC2)C1=O 58171364 GREZPDVPPOBBIK-LJQANCHMSA-N 323.396 2.660 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)NCCc3cccs3)C2)n1 58220090 IRAWNUBQYHSKQV-LBPRGKRZSA-N 320.418 2.571 0 40 DFAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccncc2)c1 58311209 NFEOWCBGBQCODX-GXTWGEPZSA-N 312.369 2.929 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 58340921 DBRZDXYVOMTRIO-CHWSQXEVSA-N 308.341 2.911 0 40 DFAB CC[C@@H](NCCc1cccc(F)c1)C(=O)Nc1cc(C)on1 28624183 XMVCDOHJCKSKRU-CQSZACIVSA-N 305.353 2.672 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)Cc1cc(C)on1 95440594 UNPPBVRCELPMNA-UHFFFAOYSA-N 322.792 2.937 0 40 DFAB CC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1ccccc12 100985897 UBZZELJZQKZTOC-BQFCYCMXSA-N 324.405 2.656 0 40 DFAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 100166744 ZFKKFYFTGRHWSA-CJNGLKHVSA-N 308.447 2.858 0 40 DFAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCCO1 27920822 NGBCBCMDNMTWDI-CQSZACIVSA-N 305.765 2.702 0 40 DFAB Cc1nc2c(c(SCC(=O)NC3CCCCC3)n1)CCC2 12016694 QXUHDXXLQWJZGU-UHFFFAOYSA-N 305.447 2.815 0 40 DFAB COc1cccc(C(=O)NCCc2nc3cc(F)ccc3[nH]2)c1 12128435 ARZJOCXKJHZGHS-UHFFFAOYSA-N 313.332 2.683 0 40 DFAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)CC3(C)C)cc1 26896967 JLXKSVONFOQJOK-UHFFFAOYSA-N 303.383 2.898 0 40 DFAB Cc1nnc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)s1 23140590 LPZYZISHKLACMF-CYBMUJFWSA-N 317.414 2.632 0 40 DFAB CCCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 27346262 CRKBMKPNEVNGOI-SFHVURJKSA-N 307.434 2.795 0 40 DFAB CCC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20045752 CPWZDJQQZODLLX-SECBINFHSA-N 318.826 2.630 0 40 DFAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Cl)cn1 3413216 IYAWHQKBJHJKSP-ZCFIWIBFSA-N 300.796 2.706 0 40 DFAB COc1ncccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 62648600 VSWLJWYQPNOZFW-GXTWGEPZSA-N 301.321 2.907 0 40 DFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccs1 12931269 CORDGZXHJSPJSL-UHFFFAOYSA-N 300.383 2.805 0 40 DFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2ncsc2c1 12927833 UHKZOADCJSRVDS-UHFFFAOYSA-N 310.338 2.718 0 40 DFAB CC(C)(C)c1ccc2c(c1)CN(C(=O)CCn1cncn1)CC2 96004476 ZXQKHVIALJJSHP-UHFFFAOYSA-N 312.417 2.551 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)n[nH]1 84110413 VLVZNTRYNKJVIE-HNNXBMFYSA-N 312.417 2.842 0 40 DFAB Cc1noc(C)c1CC(=O)N(C)c1ncccc1Br 97086489 XZUCLYUYNJUGTO-UHFFFAOYSA-N 324.178 2.654 0 40 DFAB COc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(F)cc1 14141814 FEVMAQVBGAIIST-CYBMUJFWSA-N 316.376 2.801 0 40 DFAB O=C(Nc1ccccc1CN1CCNC1=O)c1cccc(F)c1 97046463 SZIJOVJBQXQXIL-UHFFFAOYSA-N 313.332 2.603 0 40 DFAB COC(=O)N1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1 96256218 BEVKMQQQOMOYEF-VAWYXSNFSA-N 320.364 2.576 0 40 DFAB Cc1nc2ccc(Br)cc2c(C(=O)O)c1C(=O)O 4602474 HTYBTJJSQMJKSN-UHFFFAOYSA-N 310.103 2.702 0 40 DFAB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1=S 5521231 UOGBKIMCTMPODA-UHFFFAOYSA-N 317.201 2.714 0 40 DFAB COc1ccc(NC(=O)COc2ccc(F)cc2)cc1OC 5680114 OXZJSGTYSYQTIE-UHFFFAOYSA-N 305.305 2.860 0 40 DFAB CN(CCOc1ccc(-c2ccnc(N)n2)cc1)c1ccccn1 5659508 KBVXOBNPXINLHX-UHFFFAOYSA-N 321.384 2.636 0 40 DFAB Cc1cc(CN2CCN(C(=O)c3ccoc3)CC2)c(C)s1 71828131 QWGMTFGCPXMZIQ-UHFFFAOYSA-N 304.415 2.916 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN(C)[C@H](C)Cc1cccs1 81573075 VZGWELNYOFUMBS-SNVBAGLBSA-N 306.435 2.590 0 40 DFAB O=C(c1cc[nH]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 71803473 WBQCBTTXPULLFL-CQSZACIVSA-N 313.357 2.548 0 40 DFAB Cc1nn(C)cc1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 70040423 XPEQBIQKFJHHDN-UHFFFAOYSA-N 315.392 2.991 0 40 DFAB CCCOc1cccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 70013105 MSEXKPYOEZHBGS-LBPRGKRZSA-N 321.421 2.900 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)NCc3ccccc3C)C2)no1 72235850 JWILJMKGDXSRAD-OAHLLOKOSA-N 314.389 2.776 0 40 DFAB CCCNC(=O)[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 72287165 CGOIBLCBMZAXAU-MRVPVSSYSA-N 320.277 2.718 0 40 DFAB O=C(CCN[C@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 69562231 YCMKIPGMLSBWMC-SFHVURJKSA-N 320.408 2.505 0 40 DFAB COc1cc(CN[C@H](C)[C@@H](C)n2cc(C)cn2)cc2c1OCO2 69564553 OLHQYDPIIHARBR-CHWSQXEVSA-N 317.389 2.668 0 40 DFAB Fc1ccc(OCCCN2CCC[C@@H](Cn3cncn3)C2)cc1 69773608 ALTOKSNTKPNGQK-OAHLLOKOSA-N 318.396 2.598 0 40 DFAB Cc1nnc2ccc(N3CCC[C@H]3c3nc4ccccc4[nH]3)nn12 92584681 YBUYXSDKZHDIHV-AWEZNQCLSA-N 319.372 2.651 0 40 DFAB CN(C)c1ncnc2c1CN(Cc1ccc(Cl)s1)CC2 97202441 WRQDGSGJMVQFSW-UHFFFAOYSA-N 308.838 2.816 0 40 DFAB C[C@@]1(CO)CCC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F 95427207 GDBXUTUBLUVPGI-ZFWWWQNUSA-N 315.335 2.915 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@H]([C@H](C)O)C2)c(C)c1 95431378 AHLUBSFYFSHVDT-HOTGVXAUSA-N 304.434 2.914 0 40 DFAB Cc1cscc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 95446008 RYFNFLXFLUIFCC-ZDUSSCGKSA-N 317.414 2.668 0 40 DFAB NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)c1 95396166 AZIOUVQDXIMWCO-IAGOWNOFSA-N 324.380 2.515 0 40 DFAB CCc1ncnc(N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1F 95981583 LWCBAUWMAHYNLA-NEPJUHHUSA-N 308.401 2.673 0 40 DFAB C[C@H](O)CCN(C)C(=O)N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 95971265 QTFCDMZXPMTPPP-UWVGGRQHSA-N 324.812 2.690 0 40 DFAB C[C@H]1COc2ccccc2N1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 95962669 UXNBJKYZQFESMI-SJCJKPOMSA-N 323.348 2.582 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCC2(CC1)OCCO2 74652172 ZMHNYYOETKZQRO-LSDHHAIUSA-N 308.422 2.504 0 40 DFAB Cc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1O 89688864 HTGSUYIECRXQET-UHFFFAOYSA-N 315.373 2.642 0 40 DFAB CC(C)NC(=O)C[C@H]1CC2(CCNCC2)Oc2ccccc21 306137590 RAQCGBSCHWXNTI-AWEZNQCLSA-N 302.418 2.590 0 40 DFAB CCn1ccnc1[C@H]1CCCCN1Cc1cnc(OC)nc1C 549614011 UFKJRYYQSWFNSQ-OAHLLOKOSA-N 315.421 2.737 0 40 DFAB C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(F)nc2)C1 521394865 ZHUNRXAEMKFISP-DGCLKSJQSA-N 322.380 2.661 0 40 DFAB COc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1C 74959624 GOAAECGPWOMEFT-UHFFFAOYSA-N 313.353 2.591 0 40 DFAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@@H]1CCC(C)(C)O1 187346919 JBHKORSXPQUKHL-XUWXXGDYSA-N 305.418 2.615 0 40 DFAB CC(C)(C)OC(=O)[C@@H](N)Cc1cccc(Br)c1 71241904 DHHDTWQVSPQQQZ-NSHDSACASA-N 300.196 2.661 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](COc2ncc(F)cn2)C1 72203432 FCKMSNNKWWPRTQ-NSHDSACASA-N 311.357 2.642 0 40 DFAB CC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72354597 PTQBNGCNUYEWKW-AWEZNQCLSA-N 300.337 2.548 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN2c2ncccn2)n1 72378793 DMBSHGQLBGKFTI-OAHLLOKOSA-N 306.373 2.707 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](CN)[C@@H]2c2cccc(F)c2)cc1 218630958 PSUGTCKXGIBADH-ULQDDVLXSA-N 319.401 2.649 0 40 DFAB CCOC(=O)c1c(N)c2c(C(F)(F)F)cc(C)nc2n1C 71789043 MGTGNZHATGTMIS-UHFFFAOYSA-N 301.268 2.659 0 40 DFAB Cc1nc(N(C)C)ccc1C(=O)CCCNC(=O)OC(C)(C)C 72218724 RYGNZJSUMNMEHV-UHFFFAOYSA-N 321.421 2.944 0 40 DFAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2cccnc2)c[nH]1 72322045 ZTXKWKNKBIJMEZ-HNNXBMFYSA-N 300.406 2.891 0 40 DFAB biogenic,in-vitro Cc1noc([C@H]2CCCN(Cc3cc(C(=O)O)sc3C)C2)n1 564092782 LLXVJQNLDGZVDY-NSHDSACASA-N 321.402 2.826 0 40 DFAB COc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 225719352 AAMSLHZWQDISTG-UHFFFAOYSA-N 308.337 2.649 0 40 DFAB COc1cccnc1NC(=S)NCCCN1CCCCCC1 225401995 NULIUCMUMRVPFI-UHFFFAOYSA-N 322.478 2.643 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 192415377 FWBTUJOBHKEGNU-GFCCVEGCSA-N 307.394 2.585 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccccn3)n2)CN1Cc1ccccc1 42381049 WDYSRKOTIRHVJT-CQSZACIVSA-N 320.352 2.648 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn1 225426322 OTJJYZKLZNNIIE-HNNXBMFYSA-N 322.368 2.560 0 40 DFAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H]1CCCO1 224911258 HNYRYGRWWRIMPC-DYVFJYSZSA-N 303.402 2.628 0 40 DFAB COCc1nsc(N2CCN(c3cccc(Cl)c3)CC2)n1 266879005 WPQGKTHIDFSIRC-UHFFFAOYSA-N 324.837 2.665 0 40 DFAB O=C(CSc1ccc(F)cc1)Nc1cnn([C@@H]2CCOC2)c1 96123126 FEDHJSUPEKTETA-CYBMUJFWSA-N 321.377 2.714 0 40 DFAB O=C(NCCc1cccnc1)N[C@H](Cc1ccccc1)C1CC1 96413275 CYZCYXFPFUFAKG-GOSISDBHSA-N 309.413 2.945 0 40 DFAB CCC(CC)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 96408265 GSDNFUCPXITVMD-OAQYLSRUSA-N 311.447 2.956 0 40 DFAB O=S(=O)(Nc1cc(Cl)c(Cl)cn1)c1cccnc1 96433511 YPKBOHZEJHBGBO-UHFFFAOYSA-N 304.158 2.584 0 40 DFAB Cc1nc([C@H]2CN(Cc3nc4ccccc4s3)CCO2)no1 95958069 LREZEPWEFLHMDH-GFCCVEGCSA-N 316.386 2.561 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)C1(C)C 583623962 IQNHHOGETMVRLT-YHUYYLMFSA-N 317.433 2.605 0 40 DFAB Cc1nc(NC[C@@H]2OCCc3ccccc32)c2nc(C)oc2n1 91677246 NULCQPWMQIEYHN-AWEZNQCLSA-N 310.357 2.961 0 40 DFAB COc1cccc(C[C@@H]2CC3(CCN(C(C)=O)CC3)CO2)c1 257330523 XOTFDMRVKZJBFW-QGZVFWFLSA-N 303.402 2.655 0 40 DFAB Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCc2ccccc21 257337241 YRZPKFNFJZRDSD-MRXNPFEDSA-N 305.381 2.989 0 40 DFAB CC(=O)OC(C)(C)C(=O)N[C@H](C)Cc1cc2ccccc2o1 253473535 VTSGADNFKDJVMW-LLVKDONJSA-N 303.358 2.822 0 40 DFAB CCCn1ccnc1CN1CCC[C@H]1c1cc(NC)nc(C)n1 257240554 HUBJBFBCJBUYSS-HNNXBMFYSA-N 314.437 2.770 0 40 DFAB CCN(C(=O)C1CCC(O)CC1)[C@@H]1CCCc2cccnc21 252510964 ZSTTUVXAFAZTPB-UYSNPLJNSA-N 302.418 2.859 0 40 DFAB COc1cc(OC)cc(C(=O)c2ccc(OC)c(OC)c2)c1 95916719 CDGJPOYKKKNYQP-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB CN1C(=O)CC[C@]12CCCN(c1ncnc3ccsc13)CC2 585099966 BLNWADOSXSPCPW-INIZCTEOSA-N 316.430 2.673 0 40 DFAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2C(=O)OCCF 585108955 HTCYEADYKFEKSI-QEJZJMRPSA-N 320.364 2.529 0 40 DFAB COc1ccc(COCC(=O)N(C)c2ccccc2C)cn1 585123818 AQSIWZHWUZPPKO-UHFFFAOYSA-N 300.358 2.578 0 40 DFAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC12CCCCC2 72298178 VLPJHQBKHSEPLH-FXUDXRNXSA-N 318.461 2.672 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2cnn(C(C)(C)C)c2)cc1 51982133 VGIOTDUTWAKVHP-UHFFFAOYSA-N 315.373 2.742 0 40 DFAB CC[C@H](C)N(C)CC(=O)NCCc1ccc(OC(F)F)cc1 58407292 GSTWJFRZYMAGLV-LBPRGKRZSA-N 314.376 2.677 0 40 DFAB COc1cc([C@H](C)NC(=O)N2CC[C@@H](C)C2)cc(OC)c1OC 75582243 ACTVDVBYTOXJEX-NEPJUHHUSA-N 322.405 2.825 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)c1nc(C2CC2)ns1 80763719 UTHONODUAZNVMY-UHFFFAOYSA-N 303.387 2.823 0 40 DFAB CCN(CC(=O)NC(C)C)Cc1cc(Cl)nc(Cl)c1 95369300 YKDJBEGBMZTQNC-UHFFFAOYSA-N 304.221 2.735 0 40 DFAB COc1ccc(CCNS(=O)(=O)c2cc(C)ccc2C)cc1 5120591 GDIGZRQFNYDKED-UHFFFAOYSA-N 319.426 2.833 0 40 DFAB C[C@H](NC(=O)c1nccnc1N)c1cccc(C(F)(F)F)c1 12825395 ZDSYSCDWUXYFMZ-QMMMGPOBSA-N 310.279 2.569 0 40 DFAB Cc1cccc(OCCN2CCn3c2nc2ccccc2c3=O)c1 13997945 ZCSCIPQJABMFSX-UHFFFAOYSA-N 321.380 2.604 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cc2ccccc2oc1=O 16490981 GJWZDEQHURSSOA-UHFFFAOYSA-N 305.293 2.527 0 40 DFAB CC1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 7389274 RMQZFAXZQXPZBR-CYBMUJFWSA-N 304.390 2.517 0 40 DFAB COc1cccc(CCNc2cc(-n3nc(C)cc3C)ncn2)c1 1888913783 QVQDSJLNOMPMDK-UHFFFAOYSA-N 323.400 2.942 0 40 DFAB COC(=O)[C@](F)(Sc1ccc(O)cc1O)C(F)(F)F 2479700 HZDAWSAXPMOJDH-VIFPVBQESA-N 300.229 2.591 0 40 DFAB Cc1cccc(OCC(=O)NCc2cc(-c3ccco3)on2)c1 22768576 QFQFELPFMHKUEB-UHFFFAOYSA-N 312.325 2.938 0 40 DFAB Fc1cccnc1N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 2086866204 RKPPPOCRWZULIT-STQMWFEESA-N 324.359 2.935 0 40 DFAB CC(C)c1nsc(N2CCC[C@@H](COc3cnccn3)C2)n1 2298187913 CPEMADUHYRDFCO-GFCCVEGCSA-N 319.434 2.747 0 40 DFAB NC(=O)c1cc(-c2csc(NC(=O)C3CCCCC3)n2)c[nH]1 40488917 AVZCBPXHDZVRGC-UHFFFAOYSA-N 318.402 2.756 0 40 DFAB NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 190104 XKSGUVWFVCCNMI-UHFFFAOYSA-N 312.398 2.612 0 40 DFAB CCCCc1noc([C@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 40511408 QJJPTSSTJYBILU-VIFPVBQESA-N 301.350 2.755 0 40 DFAB O=S(=O)(Nc1ccccc1Cn1cccn1)c1cccs1 32600950 AIGZAVIJCXYPFU-UHFFFAOYSA-N 319.411 2.794 0 40 DFAB CC(=O)c1cc(CCC(=O)NCc2nc(C)cs2)oc1C 21482929 JFFRILUVZQWBRY-UHFFFAOYSA-N 306.387 2.805 0 40 DFAB COc1cc(OC)c(C(=O)NCCc2ccccc2)cc1OC 363578 FEAVBYNXOVVALL-UHFFFAOYSA-N 315.369 2.685 0 40 DFAB NC(=O)[C@@H]1CCN(c2nc(-c3cccs3)nc3ccccc23)C1 52392431 GBZGWMRYDIIDJS-LLVKDONJSA-N 324.409 2.670 0 40 DFAB O=C(COc1ccccc1)Nc1ccccc1Cn1cccn1 32832829 BKUOYHPLHGRESL-UHFFFAOYSA-N 307.353 2.949 0 40 DFAB COc1ccc(Cl)cc1NC(=O)Cn1nnc2ccccc21 411628 JACLZVDDLGUBRU-UHFFFAOYSA-N 316.748 2.732 0 40 DFAB C[C@H]1CCc2c(sc3ncnc(N4CCC[C@@H](O)C4)c23)C1 23709391 CGLSNEYUXDNFMJ-WDEREUQCSA-N 303.431 2.777 0 40 DFAB O=S(=O)(Cc1ccon1)N1CC2(CCCC2)c2ccccc21 79047992 PXYATPIQYPAMOV-UHFFFAOYSA-N 318.398 2.836 0 40 DFAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cccc32)cc1 2482348 BXESKOOTKVAPPT-IBGZPJMESA-N 309.365 2.970 0 40 DFAB COCCN(C(=O)C1CC1)c1nnc(-c2ccc(C)cc2)s1 4880550 JFENYYJBGQKROT-UHFFFAOYSA-N 317.414 2.903 0 40 DFAB C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 10017425 ZIVWUWUVFCPNRJ-CYBMUJFWSA-N 311.385 2.569 0 40 DFAB Cn1cnc2cc(C(=O)O[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)ccc21 108156274 YBOWLORMBPEARQ-UHOFOFEASA-N 314.385 2.934 0 40 DFAB COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 8273744 LFBUIOQOUNLGMB-UHFFFAOYSA-N 315.325 2.614 0 40 DFAB C[C@@H](Cn1ccnc1)Nc1ncnc2c1cnn2-c1ccccc1 95369560 CUDZXCZUNRSHLN-ZDUSSCGKSA-N 319.372 2.513 0 40 DFAB N[C@H](CC(=O)O)c1cnc(Nc2cccc3ccccc23)nc1 8702952 LDOSANQWWHOJQJ-CQSZACIVSA-N 308.341 2.848 0 40 DFAB CCC(CC)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 95399312 FWIZEXHSYVSFJP-JKSUJKDBSA-N 306.450 2.672 0 40 DFAB COC(=O)[C@H](C)CNC(=O)Nc1cc(F)c(F)cc1Cl 84638409 ROOPUIGSKMVVGR-ZCFIWIBFSA-N 306.696 2.549 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58342562 PYACPWQSFZDLKI-OCCSQVGLSA-N 306.369 2.693 0 40 DFAB COc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)no1 27908093 PCXKCKTYZKRLDL-BXUZGUMPSA-N 316.357 2.648 0 40 DFAB CN(C(=O)CCc1ccc(Br)cc1)c1cn[nH]c1 95407367 LHMFKSBJKZUADM-UHFFFAOYSA-N 308.179 2.768 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)c1 10752436 KBYXBYIBLFDLHF-QGZVFWFLSA-N 315.394 2.855 0 40 DFAB COc1cccc(-n2c(C)nc3ccc(N(C)C)cc3c2=O)c1 20426614 NZYWHRPODWLCIW-UHFFFAOYSA-N 309.369 2.769 0 40 DFAB Cc1c(C(=O)O)nnn1-c1ccc(Cl)c(C(F)(F)F)c1 37312243 YVXJQVCNYKTYRY-UHFFFAOYSA-N 305.643 2.946 0 40 DFAB in-vitro CC[C@@H](C(=O)O)n1cc(Br)c(C(F)(F)F)n1 12357639 IOZRYBVEBFELCA-YFKPBYRVSA-N 301.062 2.700 0 40 DFAB Cc1cccc(C(=O)N2CC(=O)Nc3cnccc32)c1Cl 95974528 OSMSELSAUIDHOQ-UHFFFAOYSA-N 301.733 2.642 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCOc1ccc(F)cc1 12731953 FUSFZEPOTPDEEL-YOEHRIQHSA-N 322.424 2.831 0 40 DFAB COc1ccccc1[C@H](NC(=O)c1ccco1)c1nccn1C 48312800 AEWWKJBGVQAKOD-HNNXBMFYSA-N 311.341 2.541 0 40 DFAB Cc1ccnc2nc(C(=O)N[C@H](c3ccccc3)C(C)C)nn12 12925074 WLYVGBRPDVXLOW-AWEZNQCLSA-N 309.373 2.560 0 40 DFAB O=C(O)C[C@@H](NC(=O)COc1cccc(F)c1)c1ccccc1 13224346 JCTRIBPSPMRKRQ-OAHLLOKOSA-N 317.316 2.537 0 40 DFAB CN(C)c1ccc(NC(=O)NC(=S)c2cccnc2)cc1 408731715 MPHWZUOZHIRIHF-UHFFFAOYSA-N 300.387 2.645 0 40 DFAB Cc1csc([C@@H]2CN(C[C@H](O)c3cccc(F)c3)CCO2)n1 65474224 QXWOPMFENVOJCN-GJZGRUSLSA-N 322.405 2.698 0 40 DFAB CC(C)c1ccc(CS(=O)(=O)CC(=O)N2CCCCC2)cc1 65593678 XHIHNTAUBDFJOS-UHFFFAOYSA-N 323.458 2.737 0 40 DFAB CCN(c1cccnc1)S(=O)(=O)c1cc(F)c(F)cc1F 65593469 LXONCFKWEHSFGL-UHFFFAOYSA-N 316.304 2.714 0 40 DFAB CCCCCCc1cc2cc(C(=O)NC)c(=O)oc2cc1O 4603666 PNCJUUVCVMXANG-UHFFFAOYSA-N 303.358 2.981 0 40 DFAB CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 66494399 WLYJPCLYFGNWKU-AWEZNQCLSA-N 320.364 2.564 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)cc1 9366741 QZEQMFUBKKJDSB-HNNXBMFYSA-N 310.397 2.645 0 40 DFAB CNc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 7103228 KXNYRJQBVDDMNY-LLVKDONJSA-N 320.443 2.692 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)Cc1ccon1 80276370 WHUWXSLOPMXXKY-BMIGLBTASA-N 324.377 2.557 0 40 DFAB C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 15603568 FTANZMKSUZCIMC-ZDUSSCGKSA-N 317.410 2.923 0 40 DFAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCCc2ccccc21 7587846 NYPPWMZXDOYFOE-ZDUSSCGKSA-N 323.396 2.565 0 40 DFAB COc1ccc(F)cc1COC(=O)c1cccc(NC(N)=O)c1 7690733 NEHOFOQJSYNBEQ-UHFFFAOYSA-N 318.304 2.682 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)c1cccc(OCC(F)(F)F)n1 96416905 WHCGKFQQQDZQQR-UHFFFAOYSA-N 314.267 2.615 0 40 DFAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)CC 8390710 GYAOESDBMLQNRQ-UHFFFAOYSA-N 315.373 2.896 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3c(=O)[nH]2)on1 71820953 WXWFDBQLLHFFAM-OAHLLOKOSA-N 323.352 2.802 0 40 DFAB O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-n2ccnc2)nc1 71883445 QIXUUYRRLNAXPL-INIZCTEOSA-N 322.343 2.824 0 40 DFAB COc1ccc(-c2nsc(NC(=O)C3CCOCC3)n2)cc1 69842058 AVUUHTAZEXBXTD-UHFFFAOYSA-N 319.386 2.579 0 40 DFAB C[C@@H](CCn1cncn1)NC(=O)C1(Cc2ccccc2)CCC1 95411260 CDKAXNGTOZRXBG-HNNXBMFYSA-N 312.417 2.586 0 40 DFAB CC(C)n1cc(NC(=O)N[C@H](C)C[C@H](O)c2ccco2)cn1 95413322 UZHCALMLKVBYPS-YPMHNXCESA-N 306.366 2.691 0 40 DFAB CCOC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 71908360 YZBPYLADMXRKEB-LLVKDONJSA-N 302.330 2.895 0 40 DFAB CCN(C(=O)Cn1nccc1-c1ccncc1)c1ccccc1 95963270 IDOCKOYTLVGGRE-UHFFFAOYSA-N 306.369 2.998 0 40 DFAB O=C(O)c1cccc(CSc2n[nH]c(-c3ccccn3)n2)c1 408580913 FGVBYDZJINTWAZ-UHFFFAOYSA-N 312.354 2.857 0 40 DFAB CC[C@H](Sc1nnc(Nc2cccc(C)c2)s1)C(N)=O 72086559 OCCNZMZCTRBWIE-JTQLQIEISA-N 308.432 2.946 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 89340041 KZFZGNAEZGECEM-ZACQAIPSSA-N 320.408 2.874 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 98014312 LUXXYASVFARHGQ-DKSSEZFCSA-N 309.413 2.682 0 40 DFAB COc1cccc(C(=O)Nc2ncnc3[nH]c(C)c(C)c23)c1F 97084570 BNMWSUMVBWMDNE-UHFFFAOYSA-N 314.320 2.975 0 40 DFAB CC(C)(C)C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F 95995088 TXOXDEGGCAAREO-AXFHLTTASA-N 308.344 2.590 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccnn2)o1 97161705 AAHMOEQKVVMUGP-LBPRGKRZSA-N 302.334 2.585 0 40 DFAB CC[C@H](C)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330051 KBBAIPDHXQNJRF-VIFPVBQESA-N 303.280 2.777 0 40 DFAB COC(=O)C[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 72311276 QYKJBZWYHWDPTI-QMMMGPOBSA-N 304.268 2.779 0 40 DFAB CC(C)(C)c1nnc(CS(=O)(=O)Cc2ccccc2F)o1 84325371 WTGJMRPRZHHGCE-UHFFFAOYSA-N 312.366 2.621 0 40 DFAB CNC(=O)c1cccc(NC(=O)N(C)[C@H](C)c2cccs2)n1 89910141 MRXXDHSTXVQVDM-SNVBAGLBSA-N 318.402 2.728 0 40 DFAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]2[C@@H]1C 20467333 WIBKAWDBBUMJKT-BAUBVQJKSA-N 322.449 2.698 0 40 DFAB biogenic,in-vitro Cc1c(Cl)ccc2c(N3CCOCC3)c(C(=O)O)cnc12 28353820 WBUWQPZFMYIIGN-UHFFFAOYSA-N 306.749 2.731 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(Cl)cc1 31594705 GBORFMUOKDUBPY-CQSZACIVSA-N 303.793 2.810 0 40 DFAB Cc1ccc(C(=O)Nc2cnc3ccc(Cl)cn3c2=O)cc1 408608819 PUJJGCRHFXCELL-UHFFFAOYSA-N 313.744 2.909 0 40 DFAB CCOCn1nc(C)c(C[C@@H](C)C(=O)N2CCC=C(F)C2)c1C 521396268 FXOVIQDEKJGPTD-GFCCVEGCSA-N 323.412 2.758 0 40 DFAB COC(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)OC 3847454 QUBDABGAJOMQTH-ZWKOTPCHSA-N 301.386 2.670 0 40 DFAB biogenic Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c(C)c1C 35170691 RYNAWDREHUUCHC-RYUDHWBXSA-N 311.447 2.718 0 40 DFAB CC(C)(C)SCCOC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 79037414 JKKKYIOFEIUISP-QMTHXVAHSA-N 317.476 2.515 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1CSCCC(N)=O 78555829 QLTAWRWDTSYPFB-UHFFFAOYSA-N 309.822 2.943 0 40 DFAB O=C(COc1ccccc1)Nc1nnc(-c2cccnc2)s1 40311759 AQWSNJHFRPSHQF-UHFFFAOYSA-N 312.354 2.618 0 40 DFAB O=C1C[C@@H]([C@H]2CCCCN2Cc2cc(F)ccc2Cl)CN1 225463354 CXYPTMPAQFSUCK-IAQYHMDHSA-N 310.800 2.970 0 40 DFAB COCC1(C(=O)N[C@@H](C)c2ccc(OC)cc2OC)CCC1 225809872 JXNNYDWNEBWMSB-LBPRGKRZSA-N 307.390 2.698 0 40 DFAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C 224173541 KKOIYPVZTMMVBD-HNNXBMFYSA-N 304.434 2.894 0 40 DFAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NC(C)C)n1 225889729 BCGMUAIKJPKHEJ-RYUDHWBXSA-N 321.494 2.962 0 40 DFAB CN1CC[C@@H](C(=O)Nc2sccc2C(=O)C(C)(C)C)CC1=O 96425196 RJMYNLMZVOAKTP-SNVBAGLBSA-N 322.430 2.784 0 40 DFAB CC[C@@H](c1ccc(F)cc1F)[S@](=O)CC(=O)N(C)C1CC1 96448138 YMPCYSCZWFUTAF-QKKBWIMNSA-N 315.385 2.785 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1=CCCCC1)C2 96039186 FFBUXBPAIVVTKC-AEFFLSMTSA-N 307.434 2.921 0 40 DFAB Cc1cc(=O)c(C(=O)N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(C)C)c[nH]1 230305148 IEJKKFZUGXHYHW-SOUVJXGZSA-N 300.402 2.746 0 40 DFAB O=c1[nH]c2cc3c(cc2cc1CNc1ccccc1)OCCO3 96511485 DNFJARUREGMBRC-UHFFFAOYSA-N 308.337 2.911 0 40 DFAB C[C@H](CNC(=O)c1cc[nH]c(=O)c1)c1cccc(C(F)(F)F)c1 95415372 GYESAFJVWUVPBF-SNVBAGLBSA-N 324.302 2.927 0 40 DFAB O=C(CCCc1ccccn1)NC[C@H](O)c1ccccc1Cl 96420000 KTFCWHDMBOWQDE-INIZCTEOSA-N 318.804 2.908 0 40 DFAB COc1ncccc1C(=O)Nc1cccc(C[S@@](C)=O)c1C 96408310 AMSZQCXCZRVUEB-QFIPXVFZSA-N 318.398 2.529 0 40 DFAB CC(C)N1CCC(Cc2cccc(N3CCOC3=O)n2)CC1 257332560 XXVRVBYJOYCRPA-UHFFFAOYSA-N 303.406 2.701 0 40 DFAB COc1ccccc1CNC(=O)c1ccnc(OCC2CC2)c1 253405163 RXKFEWZUINOQLC-UHFFFAOYSA-N 312.369 2.809 0 40 DFAB Cc1cc2cncn2c([C@H]2CCCCN2C(=O)c2ccncc2)n1 257259620 KZERYIJLPMNGJA-MRXNPFEDSA-N 321.384 2.800 0 40 DFAB CN1CCC(Cc2cccc(F)c2)(C(=O)NC2CCC2)CC1 257213464 CHRHUEITQPVEPQ-UHFFFAOYSA-N 304.409 2.749 0 40 DFAB COC(=O)[C@@H]1CC12CCN(c1ncnc3c(C)csc13)CC2 253429088 GKRKGRHWKFGWCU-NSHDSACASA-N 317.414 2.779 0 40 DFAB Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257215695 CRGKBDFDQYUKNV-HNNXBMFYSA-N 313.405 2.885 0 40 DFAB CCc1nc(C)sc1C(=O)Nc1cccc(C(=O)NC)c1 257173429 MVOANMPAFHWRCG-UHFFFAOYSA-N 303.387 2.626 0 40 DFAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCN(C)C2)n1 257339474 ZBWHTWLROUJXRC-HNNXBMFYSA-N 311.385 2.959 0 40 DFAB CC[C@@H](C)NC(=O)CCCn1cc(COc2ccccc2)nn1 252490946 LGCBMTVCRGQBNU-CQSZACIVSA-N 316.405 2.552 0 40 DFAB O=C(O)[C@H]1CC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)CC1 262957529 PSTZWMPYEWGXCV-JOCQHMNTSA-N 313.357 2.702 0 40 DFAB CC(C)(C)c1csc(CN2C(=O)C[C@]3(CCSC3)C2=O)n1 84284722 ZUQBARIXWFUDJB-HNNXBMFYSA-N 324.471 2.823 0 40 DFAB C[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 13991782 ZOIQFLQAFIGPBS-ZDUSSCGKSA-N 317.360 2.937 0 40 DFAB CCC(=O)N1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1 19704587 HPUDTXAIVDLSKN-GFCCVEGCSA-N 317.364 2.854 0 40 DFAB Cc1cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)c2c(C)nn(C)c2n1 169681004 RAQVIUUFCDNNRB-MGPQQGTHSA-N 310.401 2.527 0 40 DFAB CO[C@H](CCSC)CNC(=O)CSCc1ccccc1 1888918123 YMGZIYHZLURQPD-CQSZACIVSA-N 313.488 2.804 0 40 DFAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2scnc2C)c1 1889122799 OFBFCRCGBLRCHR-PBWFPOADSA-N 316.430 2.965 0 40 DFAB CCOc1ccccc1NC(=O)c1n[nH]cc1Br 28236824 YQTMJTSCEZGVQD-UHFFFAOYSA-N 310.151 2.823 0 40 DFAB Cc1ccc2ncc(C(=O)Nc3ccc(F)cc3F)c(=O)n2c1 4496043 BXEFCTDPSZGZDQ-UHFFFAOYSA-N 315.279 2.533 0 40 DFAB Cc1cccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 6868268 KTCZKQZOQFMWIA-UHFFFAOYSA-N 324.369 2.936 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1C 10511261 KWQIQLXCQUQIFW-UHFFFAOYSA-N 303.383 2.959 0 40 DFAB CS(=O)(=O)c1ccc(Cl)c(NC[C@@H]2CCC=CO2)c1 50268170 AFYBFQHPXHHVFW-JTQLQIEISA-N 301.795 2.848 0 40 DFAB O=C(NC1CCCCCCC1)C1(n2cnnn2)CCCCC1 40266178 RUTANRWZYBYQHC-UHFFFAOYSA-N 305.426 2.562 0 40 DFAB Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n(C)n1 40512255 UJPAKMNWAJHLEE-LLVKDONJSA-N 305.765 2.572 0 40 DFAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCSCC1 40542228 BUGJCOFVEWOHIK-UHFFFAOYSA-N 320.389 2.989 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 40526805 ZNFLEJJJMAROJM-VXGBXAGGSA-N 324.446 2.908 0 40 DFAB COC(=O)c1cc(NCc2nc(-c3ccco3)no2)ccc1F 32770345 USKJDVTXBXBETK-UHFFFAOYSA-N 317.276 2.867 0 40 DFAB Cc1cc(CN(C)C(=O)c2c(Cl)nc3ccccn23)no1 52606814 LRWRSGFGRDPQPO-UHFFFAOYSA-N 304.737 2.556 0 40 DFAB COC(=O)C1(NC(=O)[C@@H](C)OCc2ccccc2)CCCCC1 33164715 GNNLCBDJCSCXIP-CQSZACIVSA-N 319.401 2.584 0 40 DFAB CCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1CCO 550540 OSCXEKGOMNTQKG-UHFFFAOYSA-N 314.410 2.988 0 40 DFAB COc1ccc(-c2n[nH]cc2CNC[C@H]2CCCOC2)cc1 54181237 BXCZUZUMOPFZPU-CYBMUJFWSA-N 301.390 2.602 0 40 DFAB COc1ccc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2385587 UKWBPYBMEMCURC-ZDUSSCGKSA-N 309.362 2.606 0 40 DFAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)c(F)c1 3425336 LFQJBCPGRSUORP-UHFFFAOYSA-N 323.270 2.828 0 40 DFAB O=C(COC(=O)c1cc2c(s1)CCC2)NCc1ccccc1 4581570 JOSAZQUIHPGHMI-UHFFFAOYSA-N 315.394 2.710 0 40 DFAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2C)c1 4982907 RSPCOIVNASIWHZ-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB CCc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 5069357 IVHILBWAMFAWPX-MRXNPFEDSA-N 310.353 2.977 0 40 DFAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1CC1 5112359 VTNKGSIMVDQJLY-MRVPVSSYSA-N 301.264 2.529 0 40 DFAB CN1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCC2)C1 5119319 FBTZRJBLUHAQKJ-IAGOWNOFSA-N 317.429 2.713 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N4CCCN(C)CC4)c23)C1 5958763 OVLOWQXCBBUNJD-GFCCVEGCSA-N 316.474 2.958 0 40 DFAB CCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 6609517 WXUMZMLKICJFOR-UHFFFAOYSA-N 302.403 2.955 0 40 DFAB Cc1sc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N(C)C 6679428 IJPQZKVLWBXIOC-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB COc1cc(OC)c(Nc2cc(C)nc3ncnn23)cc1Cl 6820763 ZYMSFCKBGYASRW-UHFFFAOYSA-N 319.752 2.847 0 40 DFAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nnc1-c1ccccc1 8392621 REYBGBYLZLRUSZ-PWSUYJOCSA-N 303.387 2.761 0 40 DFAB COc1cc(S(=O)(=O)Nc2c(F)cccc2F)ccc1F 8499618 XZCHSLBPCYKONS-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1cccc(Cl)c1 9171936 YQYANUVRRRVRSM-UHFFFAOYSA-N 316.744 2.715 0 40 DFAB CC(C)c1cccc(NC(=O)CNc2ccccc2C(N)=O)c1 10939960 ARWJGRYHPGEUTF-UHFFFAOYSA-N 311.385 2.960 0 40 DFAB Cc1nc(NCc2cccc(OCc3cccnc3)c2)nn1C 12238339 MJHZDSMWVZFRAO-UHFFFAOYSA-N 309.373 2.710 0 40 DFAB O[C@@H]1c2ccccc2C[C@@H]1Sc1nnc2[nH]c3ccccc3n12 12643537 WFJCAWJZLGZZSG-LSDHHAIUSA-N 322.393 2.961 0 40 DFAB NC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1Cl 12769932 PILYBRRUWUWRNA-UHFFFAOYSA-N 322.723 2.596 0 40 DFAB CC(=O)c1cccc(NC(=O)CCNC(=O)c2ccsc2)c1 12778770 HTGHJJQLQIIUTR-UHFFFAOYSA-N 316.382 2.709 0 40 DFAB Cc1ccc(OCC(=O)NCc2ccc(C(=O)O)cc2)c(C)c1 13092263 JUZNQOXYXSFTLY-UHFFFAOYSA-N 313.353 2.697 0 40 DFAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 13985109 IRQWGJJEOAIXEW-NSHDSACASA-N 318.329 2.566 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H](C)O[C@H](C)C1 18069355 FKYPAFJTDKQZBG-DTORHVGOSA-N 302.296 2.658 0 40 DFAB O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)[nH]c1=O 19937217 URNHQXGZTRWIHN-UHFFFAOYSA-N 309.300 2.828 0 40 DFAB CSc1ccc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc1 20086480 HFFWZDKLCSOWJC-ZDUSSCGKSA-N 313.382 2.808 0 40 DFAB CO[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 20238590 NIBDBFFUVQYCKU-GOSISDBHSA-N 310.397 2.723 0 40 DFAB O=C(Nc1cccc(F)c1)c1cccc(CN2CCOCC2)c1 20458696 SYMOBQOUWVWYQH-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 22278979 WVGKNBLBMQAARQ-UHFFFAOYSA-N 319.382 2.544 0 40 DFAB C[C@H]1CN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C[C@H](C)O1 27339468 HTKOXGPVISJNBN-STQMWFEESA-N 318.417 2.921 0 40 DFAB O=C(N[C@@H](NCc1ccco1)C(=O)c1ccccc1)c1ccco1 28294249 JUAIRUZNBSYKBB-QGZVFWFLSA-N 324.336 2.601 0 40 DFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(Cl)c[nH]1 32777178 IXWCSEJSEAWZDU-AWEZNQCLSA-N 318.760 2.845 0 40 DFAB C[C@@H]1C[C@@H](OC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)O1 32893227 WHNPTLPJEMCZEP-QLJPJBMISA-N 322.316 2.759 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](C(C)C)N1CCCC1 32907374 AMWXMNNVQWORFZ-HNNXBMFYSA-N 305.422 2.937 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c[nH]1 37996693 JDFSOILZFMPSCA-UHFFFAOYSA-N 309.163 2.755 0 40 DFAB in-vitro O=C(c1ccoc1)N1CCC[C@H]1c1nnc2n1CCCCC2 40481293 YTBCWEGIVIMKKK-ZDUSSCGKSA-N 300.362 2.575 0 40 DFAB Cc1nnc(NC(=O)COc2ccc(C(F)(F)F)cc2)s1 40487750 OTMOPANBKDPOHD-UHFFFAOYSA-N 317.292 2.883 0 40 DFAB COc1ccc(CNC(=O)CCCc2nc(C(C)C)no2)cc1 40515680 VBQNAQIHFIDPFT-UHFFFAOYSA-N 317.389 2.841 0 40 DFAB CC(C)n1nccc1NC(=O)CN1CCc2sccc2C1 44895176 PQOWJVLUVQKKCY-UHFFFAOYSA-N 304.419 2.522 0 40 DFAB Cc1ccccc1OCCN(C)C(=O)c1cnc2[nH]nc(C)c2c1 47403839 ZCJIAEOAGYYLIL-UHFFFAOYSA-N 324.384 2.726 0 40 DFAB CCC(=O)N[C@H](CCSC)C(=O)N[C@H](C)c1cccs1 54042093 TXENZKFDODIMEB-GHMZBOCLSA-N 314.476 2.573 0 40 DFAB CCn1cc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cn1 56501461 FIWGDUNWSIIJMS-OAHLLOKOSA-N 300.362 2.978 0 40 DFAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C[C@H]1CCCO1)CO3 57120808 WBACWVCISADFCS-CYBMUJFWSA-N 315.369 2.741 0 40 DFAB C[C@@H](NC(=O)NC1CCN(CC(F)F)CC1)c1ccccc1 57988394 SZXKWVLBOZGOBW-GFCCVEGCSA-N 311.376 2.776 0 40 DFAB CCN(CC)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 58167942 KMVFJHBULPZJMJ-UHFFFAOYSA-N 312.414 2.671 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N(C)CC1CCCC1 58420664 XPGSFWZOWCDQNW-UHFFFAOYSA-N 303.406 2.629 0 40 DFAB Cc1noc(CCCC(=O)N2CCCc3cc(F)c(F)cc32)n1 58457178 XBPUZGDPRGECJX-UHFFFAOYSA-N 321.327 2.958 0 40 DFAB CC(=O)NC1(C(=O)Nc2nc3c(s2)CCC3)CCC(C)CC1 63574023 CUZOBDYDUSCSNQ-UHFFFAOYSA-N 321.446 2.655 0 40 DFAB CN(Cc1cccs1)C(=O)c1cc(=O)n(C)c2ccccc12 65475765 VYLMOFGDKNSKTB-UHFFFAOYSA-N 312.394 2.872 0 40 DFAB CC1CCN(CCCNC(=O)NCc2cccc(F)c2)CC1 65515814 KOPJDWKESOQVCO-UHFFFAOYSA-N 307.413 2.747 0 40 DFAB COCCN1CCC[C@H]1CNC(=O)Nc1ccccc1Cl 65543023 XSCLQBGMOOGXQZ-LBPRGKRZSA-N 311.813 2.572 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)NC[C@H]2CC=CCC2)c1 69109923 XWUGUDFEGPZTRV-AWEZNQCLSA-N 301.390 2.801 0 40 DFAB Cc1ccsc1C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 70902673 MMZUNOHVVCHZAH-QLFBSQMISA-N 322.474 2.770 0 40 DFAB Cc1cnn([C@H](C)[C@H](C)NCc2cn(-c3ccccc3)nn2)c1 71882173 NBGMFUCMZTZRHQ-LSDHHAIUSA-N 310.405 2.512 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[C@@H]1CCCO1 71883304 HKXLHDYVTDAUCF-HRCADAONSA-N 324.465 2.632 0 40 DFAB CCc1cc(CNC(=O)NCc2csc(C(C)(C)C)n2)[nH]n1 71914978 YOAWUUZZXOBTGF-UHFFFAOYSA-N 321.450 2.726 0 40 DFAB C[C@H](c1ncc(-c2ccccc2)o1)N1CCCS(=O)(=O)CC1 72294851 VISZYWLQWZMETP-CYBMUJFWSA-N 320.414 2.523 0 40 DFAB c1ccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)nc1 72379598 SMQXKLDRZDSVKM-HNNXBMFYSA-N 304.357 2.670 0 40 DFAB O=C(NCCc1ccsc1)c1ccc(-c2ccco2)[nH]c1=O 75124920 RWTPKQYPCYJKOQ-UHFFFAOYSA-N 314.366 2.669 0 40 DFAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cccnc1 77648326 KIKAOYIDBPQEQW-GFCCVEGCSA-N 311.168 2.852 0 40 DFAB C[C@H]1C[C@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)O1 78300880 JWIAUSXAYQHTFD-FZMZJTMJSA-N 300.358 2.711 0 40 DFAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1csnn1 79001989 SQKSJQAUQHETRK-CYBMUJFWSA-N 323.393 2.901 0 40 DFAB O=C(O)CSCC1CCN(C(=O)OCc2ccccc2)CC1 79392147 RHGIKWAXLAOYJJ-UHFFFAOYSA-N 323.414 2.853 0 40 DFAB COCCn1nc(C)c(NC(=O)Cc2ccccc2Cl)c1C 79662301 KUSOITZOBRPVAU-UHFFFAOYSA-N 321.808 2.981 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1nccn1C 80114138 YECNCYLAMUGHKT-BZNIZROVSA-N 316.380 2.682 0 40 DFAB CCc1nnc2ccc(N3CCSC4(CCCCC4)C3)nn12 80247540 DZBNKHOAGOHTFD-UHFFFAOYSA-N 317.462 2.943 0 40 DFAB O=C(CCc1cc(F)ccc1F)N[C@H]1c2ccccc2C[C@@H]1O 81703258 UOQNRDYXAHBVCP-WMZOPIPTSA-N 317.335 2.672 0 40 DFAB CC[C@@H](NCc1cc(OC)c(OC)cc1C)c1noc(C)n1 83473699 OLFYGAYVSOPWJE-CYBMUJFWSA-N 305.378 2.945 0 40 DFAB CCCOc1cccc(C(=O)OCc2nncn2C2CC2)c1 89492049 PKAYKFNQFSQMOR-UHFFFAOYSA-N 301.346 2.759 0 40 DFAB O=C(CCN1C(=O)CCc2cc(F)ccc21)N1CCCCC1 89807209 XJLXEOBOZQKRHG-UHFFFAOYSA-N 304.365 2.508 0 40 DFAB CCN(CCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)C1CC1 89969204 NEPTTYGWXZDDSX-CQSZACIVSA-N 322.478 2.686 0 40 DFAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1c(C)oc(C)c1C)CC2 89986375 XMZLEHSXILXRLF-GJZGRUSLSA-N 321.417 2.597 0 40 DFAB NC(=O)CC[C@H]1CCCN(Cc2cc(F)c(F)cc2F)C1 92660665 MPUQIDHXFWRZDY-SNVBAGLBSA-N 300.324 2.581 0 40 DFAB COc1ccc(-c2n[nH]cc2CN2CCOC3(CCC3)C2)cc1 93640656 BIJKXSIAIACXNV-UHFFFAOYSA-N 313.401 2.840 0 40 DFAB C[C@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccncc1 95426215 VSOPXOKJCQCTSP-GDBMZVCRSA-N 317.433 2.976 0 40 DFAB C[C@@H](NC(=O)c1cc(O)nc(Cl)c1)[C@H]1COc2ccccc21 95469376 IVZREKCNNHOMQR-BXKDBHETSA-N 318.760 2.735 0 40 DFAB c1sc([C@@H]2CCCO2)nc1CSCCN1CCOCC1 95977042 DJMGVZFTQALMOQ-ZDUSSCGKSA-N 314.476 2.560 0 40 DFAB COC(=O)[C@H]1CCC[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 95994655 MLUGMCWPTPCJGB-NEPJUHHUSA-N 302.330 2.664 0 40 DFAB COC(C)(C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 96003021 HJMNETFQSARPFA-AWEZNQCLSA-N 305.422 2.917 0 40 DFAB CCN1CCOC[C@@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 96049596 UHEPUVVZACRTQO-IBGZPJMESA-N 318.461 2.630 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)NC1C2CC3CC(C2)CC1C3 96402314 AXOPXRLVNWGPJL-UHFFFAOYSA-N 317.477 2.737 0 40 DFAB Cc1c(NC(=O)NC[C@@H]2CCOC2)cccc1OC(F)F 96403204 OBVNTFXNXSGAOB-JTQLQIEISA-N 300.305 2.754 0 40 DFAB CCOC(=O)CN(C(=O)/C=C/c1cccnc1)C1CCCCC1 96412051 MESOLAPPWVYVQQ-ZHACJKMWSA-N 316.401 2.819 0 40 DFAB CC(=O)Nc1cccc(CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 96419597 PZDVNEQDBPUAAA-BBWFWOEESA-N 302.418 2.890 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 96436280 PSLAIEXWIUAXDB-KBPBESRZSA-N 319.355 2.849 0 40 DFAB CC[C@H](c1ccc(F)cc1F)[S@](=O)CC(=O)N(C)C1CC1 96448139 YMPCYSCZWFUTAF-SZNDQCEHSA-N 315.385 2.785 0 40 DFAB C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)CC(=O)NC(C)C 96454409 FWFHZCULTXBDOE-SRXBQZRASA-N 306.381 2.648 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccccc1C 96521404 KKMKPKCDIAFWHZ-NEPJUHHUSA-N 321.236 2.574 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)c2occc2C)C(=O)O)c1 97018793 HDESPIMSCAOVGG-CQSZACIVSA-N 301.342 2.570 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCCn2cccc2)o1 97161821 CRSAYDGTPLNZRU-HNNXBMFYSA-N 317.389 2.774 0 40 DFAB c1ccc(Cn2ccnc2CCN[C@H]2CCCSC2)cc1 97370911 DQBGANIXSJPHJD-INIZCTEOSA-N 301.459 2.959 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)CCc2nc(C)no2)C12CCCCC2 98016434 NQQQOEBTPFDJSM-ZIAGYGMSSA-N 321.421 2.555 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCN1C(=O)c2ccccc2C1=O 102482401 JWYKJTODDJOYSZ-AVGNSLFASA-N 313.353 2.610 0 40 DFAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(c2nnc3ccccn23)CC1 102831212 VMBXCQZBWNJJOV-BMFZPTHFSA-N 324.428 2.872 0 40 DFAB COc1ccc(OC)c(CN2CCC(Cn3cccn3)CC2)c1 105886499 GWZQPMQLCJFTFK-UHFFFAOYSA-N 315.417 2.813 0 40 DFAB O[C@H](c1ccccc1I)C(F)(F)F 114220663 AUJQQTCDXBVLTH-SSDOTTSWSA-N 302.033 2.887 0 40 DFAB Cc1cc(C[C@H](C)NC(=O)Nc2cccc(N(C)C)c2C)n[nH]1 121238651 PKUZUESZBFRDCS-NSHDSACASA-N 315.421 2.845 0 40 DFAB Cc1cc(C)c(N2CC[C@@H](N[C@@H]3CCSC3)C2=O)c(C)c1 189454949 FVRRHABOEKLQNN-HUUCEWRRSA-N 304.459 2.812 0 40 DFAB C[C@H](C(=O)N1CCCSc2ccc(F)cc21)n1cncn1 190434643 KMEOBAHFDALBFI-SNVBAGLBSA-N 306.366 2.507 0 40 DFAB CSC[C@H](CCO)NCc1c(F)cccc1Br 192588042 DMPVTUDTXAQVLJ-VIFPVBQESA-N 322.243 2.792 0 40 DFAB Cc1cc([C@H](C)NC(=O)NC[C@H]2CC[C@H](O)C2)cc(C)c1F 215656950 NJOSVBYWTUZGTL-YDHLFZDLSA-N 308.397 2.964 0 40 DFAB CN(CCNC(=O)COc1cccc(Cl)c1)c1ccccc1 222769221 KWIPNFSMCMUTRI-UHFFFAOYSA-N 318.804 2.971 0 40 DFAB Cc1ccc2nc(SCCOCC(F)F)n(C)c(=O)c2c1 225440439 MNWCJKMTVYHLED-UHFFFAOYSA-N 314.357 2.616 0 40 DFAB COc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cc1 225928915 XNKSDCVNFBQTFR-UHFFFAOYSA-N 316.382 2.658 0 40 DFAB Cc1ncccc1NC(=O)[C@@]1(C)CC(c2cccs2)=NO1 226749825 XEMCRENEEGHXDM-OAHLLOKOSA-N 301.371 2.973 0 40 DFAB c1cc(COC[C@@H]2CN(Cc3ccoc3)Cc3cncn32)ccn1 247954704 LOXHFOHKJLQZBY-SFHVURJKSA-N 324.384 2.645 0 40 DFAB Cc1cc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)nc(C)n1 257209965 BSOHIGSIPIIBBI-GFOMBABLSA-N 323.396 2.707 0 40 DFAB CC(C)n1nccc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1 257270000 MSJDIMLTRZFSPC-KRWDZBQOSA-N 312.417 2.593 0 40 DFAB COc1csc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c1 263075636 YRJKSTCARFDZQM-NSHDSACASA-N 319.382 2.872 0 40 DFAB CN1C(=O)CN=C(c2ccccc2O)c2cc(Cl)ccc21 675082114 BPLYFVFTQSCJKL-UHFFFAOYSA-N 300.745 2.859 0 40 DFAB C[C@@H](c1ccccc1)N1[C@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1029195540 UETKQKNTKJTHBG-XIRDDKMYSA-N 322.412 2.527 0 40 DFAB c1cnc(N2CC[C@@H]3CN(CC4CCCCC4)C[C@@H]3C2)nc1 1201392693 DQBPRGJNENJIJW-IAGOWNOFSA-N 300.450 2.815 0 40 DFAB O[C@@](CNc1ncnc2ncccc12)(c1cccs1)C1CC1 1775970291 AJSUQFZQPVVLHZ-MRXNPFEDSA-N 312.398 2.796 0 40 DFAB CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccccc1 363874 KUXMPBKANFLYDP-JTQLQIEISA-N 311.432 2.978 0 40 DFAB COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1)N(C)C 23712166 VHCQADCUKVWJCH-INIZCTEOSA-N 316.376 2.867 0 40 DFAB biogenic CC(=O)Nc1cccc(CNC(=O)NCc2cccs2)c1 47686878 GUSJYYMJWQXDRI-UHFFFAOYSA-N 303.387 2.706 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1 816325 MNNISGGALVRDEF-ZDUSSCGKSA-N 317.385 2.506 0 40 DFAB C[C@]1(C(=O)NCCc2ccc3c(c2)OCO3)CC1(Cl)Cl 24380559 VTWYKBKRGRCYMG-CYBMUJFWSA-N 316.184 2.658 0 40 DFAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 3510924 JOVRWQNNVXLMNR-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccccc1 3610288 QZVMUCWFDPWEFA-UHFFFAOYSA-N 300.358 2.514 0 40 DFAB COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 4133599 NTGCURASHQAGLR-HDMKZQKVSA-N 314.429 2.642 0 40 DFAB O=C(CSc1nnc2c(n1)CCCC2)c1ccc(F)cc1 4968410 BWRZYTADDHTSKD-UHFFFAOYSA-N 303.362 2.865 0 40 DFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccnc1 12552750 XDPHEAXYGKZNML-UHFFFAOYSA-N 307.357 2.931 0 40 DFAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 6961661 DZBUVCVLYZLVEQ-OQLLNIDSSA-N 313.332 2.756 0 40 DFAB CCOC(=O)C1CCN(C(=O)CCc2ccc(CC)cc2)CC1 10326110 WTWCCTKATLVLAU-UHFFFAOYSA-N 317.429 2.983 0 40 DFAB CCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C(C)C 58268067 ILROQYXXKXPQTM-ZDUSSCGKSA-N 308.422 2.611 0 40 DFAB CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 95427145 FESOYRATLQSURL-CVEARBPZSA-N 323.481 2.604 0 40 DFAB COC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(C)C 3292800 HHCMRFUQMRNFOM-KRWDZBQOSA-N 315.369 2.532 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)Nn1cnc2ccccc21 11714990 GTYGCGDUIABZNK-UHFFFAOYSA-N 305.341 2.616 0 40 DFAB CC(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)s1 46278099 GJHSKHVNWOWUPX-LBPRGKRZSA-N 301.367 2.684 0 40 DFAB C[C@H]1COCCN1C(=O)Cc1csc(-c2ccsc2)n1 46256293 BOMJNRGJORUNJV-JTQLQIEISA-N 308.428 2.661 0 40 DFAB Cc1ccc(C)c(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)c1 59227245 ZGKYPGVSYRETGG-AWEZNQCLSA-N 312.369 2.566 0 40 DFAB CCOC(=O)c1c(NC(=O)c2csnn2)sc2c1CCC2 11914411 RBVMNCQLPIDYGH-UHFFFAOYSA-N 323.399 2.517 0 40 DFAB Cc1nnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)s1 2780600 VFGPDZDVOPMHAD-LURJTMIESA-N 319.312 2.570 0 40 DFAB Cc1cc(C)c2nc(O)c(-c3noc(CCC(=O)O)n3)cc2c1 22119564 VETCAENDHDLGDM-UHFFFAOYSA-N 313.313 2.624 0 40 DFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 48243948 PBQQXECKUJUNSU-CMPLNLGQSA-N 306.793 2.608 0 40 DFAB CCCC1(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 96010064 XIHPIEYPNXPWSM-CQSZACIVSA-N 310.438 2.751 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1 3421033 PSNKZPUPUSYJNE-JTQLQIEISA-N 321.427 2.756 0 40 DFAB Cn1cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cn1 49547068 UMJSCFIQZOYFFZ-CQSZACIVSA-N 307.357 2.789 0 40 DFAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(S)o1 5100710 DJECSNYJGIYGKS-ZETCQYMHSA-N 305.425 2.677 0 40 DFAB CCCc1cc(=O)[nH]c(Nc2cccc(C(=O)OCC)c2)n1 5182432 JWDFCSFCDWWSIG-UHFFFAOYSA-N 301.346 2.643 0 40 DFAB CC1=NN(c2nc(-c3ccccc3)no2)[C@@](O)(C(F)(F)F)C1 6263586 LSKINQRRIFMSBC-LBPRGKRZSA-N 312.251 2.574 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1ccccc1SCC(N)=O 14140062 ZOUQCBVAIGOBQA-UHFFFAOYSA-N 318.373 2.964 0 40 DFAB O=C(CCN1C(=O)C(=O)c2cc(F)ccc21)c1ccc(F)cc1 6760528 QGZAGKCPZYCHAF-UHFFFAOYSA-N 315.275 2.767 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c(F)c1 66945303 WIJVXSYXUSWREL-CYBMUJFWSA-N 306.381 2.535 0 40 DFAB CSc1ncccc1C(=O)O[C@@H](C(=O)NC(C)(C)C)C(C)C 95351292 PKGRWKHUEPXJFC-GFCCVEGCSA-N 324.446 2.900 0 40 DFAB CCOc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 15831456 VEDLPBHVPBBMPN-OAHLLOKOSA-N 302.374 2.711 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN1CCn2c(nnc2C2CC2)C1 84691975 GDVYWUNWEPQMDG-HIFRSBDPSA-N 304.438 2.566 0 40 DFAB CCCCNC(=O)COC(=O)c1oc2ccc(OC)cc2c1C 7736415 MNTMRBRVHQGYQQ-UHFFFAOYSA-N 319.357 2.823 0 40 DFAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](C(F)(F)F)C1 71858593 FLRSOLITERYKJY-LLVKDONJSA-N 324.302 2.943 0 40 DFAB COc1ccc(NC(=O)C[C@H]2C=CCC2)c(C(=O)NC2CC2)c1 71883085 JKCIJQFDCVJHMD-LBPRGKRZSA-N 314.385 2.882 0 40 DFAB c1nc2nc3c(c(Nc4ccc5c(c4)OCCO5)n2n1)CCCC3 20494158 GXVBVYDHKUYKII-UHFFFAOYSA-N 323.356 2.518 0 40 DFAB Cc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1C(N)=O 71983404 WBIFGEXZSVGVOJ-UHFFFAOYSA-N 317.776 2.798 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CCCOc1ccccc1)C2=O 8352297 NZIWMGFMAVDLJK-KSSFIOAISA-N 316.401 2.956 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)NCC2CCCCC2)c1 69456100 YEBMFRYFPLLCQF-UHFFFAOYSA-N 319.405 2.973 0 40 DFAB c1ccc(-c2cc(CN3CCC[C@H](Cn4cncn4)C3)on2)cc1 69624189 VWLYGGOOMULANQ-HNNXBMFYSA-N 323.400 2.845 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1cccs1 17842028 WJXGIUPYXBEXGB-LLVKDONJSA-N 323.439 2.951 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccncc1 8762703 SSBPPABTOSXFTH-GFCCVEGCSA-N 314.341 2.583 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@H](O)c2ccc(C)c(C)c2)no1 84177705 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Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3oc(C)nc3C)c2)n1 76060911 RCXAJLMXDILWQF-UHFFFAOYSA-N 324.340 2.602 0 40 DFAB CC(=O)c1ccccc1NCC(=O)NCc1ccc(F)cc1 36802870 SMIMCSDDDLEQCS-UHFFFAOYSA-N 300.333 2.757 0 40 DFAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1 78403662 HSIAEMDWTVMQKX-UHFFFAOYSA-N 318.398 2.854 0 40 DFAB Cn1c(CN2CCO[C@H]3CCC[C@@H]32)nc2cc(Cl)ccc21 79354304 VWLMBJAYSHKBIG-GJZGRUSLSA-N 305.809 2.980 0 40 DFAB O=C(Cn1ccccc1=O)Nc1ccc2oc(C3CC3)nc2c1 32818724 IVKOIZJHOMXPNW-UHFFFAOYSA-N 309.325 2.506 0 40 DFAB CCc1nnc(Nc2cc([C@@H]3CCCN3C)nc(C)n2)s1 72360123 REBVQFYQFKBTJV-NSHDSACASA-N 304.423 2.709 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)NC/C=C/c2ccccc2)c1 79032521 BENCVXVZWVZVJM-RMKNXTFCSA-N 315.394 2.533 0 40 DFAB CC(C)N(C(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1)C(C)C 72346344 UNBCFZPHNYWDSI-LBPRGKRZSA-N 316.409 2.756 0 40 DFAB Cc1ccncc1NC(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1 78554193 FTBMAEAHNNZAKL-MRXNPFEDSA-N 323.396 2.562 0 40 DFAB S=C(Nc1nc(Cl)cc(N2CCCCC2)n1)NC1CC1 226004674 KUEYTIXCTRHNMA-UHFFFAOYSA-N 311.842 2.569 0 40 DFAB Cc1csc(CNS(=O)(=O)c2ccc(Cl)cc2F)n1 48665654 OBVFTKPPNGFTDO-UHFFFAOYSA-N 320.798 2.723 0 40 DFAB CCC[C@@H](NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 40088821 AYYJBKPKYJHVRU-NUEKZKHPSA-N 302.418 2.806 0 40 DFAB COc1ccccc1OCCN(C)C(=O)c1ccc(C)c(N)c1 195543227 FHZYGCOABDOTQS-UHFFFAOYSA-N 314.385 2.737 0 40 DFAB COc1cc2c(cc1S(=O)(=O)NCCC(C)C)CCCC2 225625591 MZTAETWAAQNYPJ-UHFFFAOYSA-N 311.447 2.898 0 40 DFAB COc1cccc2cc(C(=O)NCCn3nc(C)cc3C)oc12 44158901 BCENXYHOKDGORQ-UHFFFAOYSA-N 313.357 2.685 0 40 DFAB CCn1ccnc1C[S@@](=O)c1cc(OC)c(OC)cc1C 81527008 FXRFOUMLSSJIBQ-NRFANRHFSA-N 308.403 2.536 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cnc(C2CC2)nc1C 222566205 IMGCVCJDVKJLLL-UHFFFAOYSA-N 311.341 2.701 0 40 DFAB C[C@@H]1CCN(CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1 195531594 ZANWWCLHPHNQFP-GDBMZVCRSA-N 313.401 2.764 0 40 DFAB CC(C)N1N[C@](C)(c2ccccc2Br)NC1=S 225344102 GCUQOYAYTQJYJL-GFCCVEGCSA-N 314.252 2.725 0 40 DFAB Cc1csc([C@H]2COCCN2C(=O)N[C@H](C)C2CCC2)n1 195571398 AEUWAXOXLZINLF-DGCLKSJQSA-N 309.435 2.723 0 40 DFAB C[C@H](NC(=O)C[C@H]1CCCO1)[C@@H](O)c1c(F)cccc1Cl 195533912 DQDUADYJHADUFP-FEUHOPSXSA-N 315.772 2.586 0 40 DFAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)nc1 225738042 DVFUYCRBLVOVSZ-CQSZACIVSA-N 306.479 2.798 0 40 DFAB COC(=O)N1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 93400883 FGUCIHOPGTTYIA-NSHDSACASA-N 323.462 2.903 0 40 DFAB COc1ncc(Cl)c(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1 583615447 BKOSYCDETVCDNV-DGCLKSJQSA-N 323.755 2.590 0 40 DFAB CN(C)C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96061597 OMBGDSXBTFGDEN-DLBZAZTESA-N 302.418 2.780 0 40 DFAB CC(C)[C@H](NC(=O)OCc1ccccc1)[C@H](O)C(F)(F)F 98095428 SESFXBYSHTUGNX-RYUDHWBXSA-N 305.296 2.861 0 40 DFAB Fc1ccccc1OC[C@H]1CO[C@@H]2CN(Cc3ccoc3)C[C@@H]21 96216176 CJJJMIAFEDJUAA-HDMKZQKVSA-N 317.360 2.945 0 40 DFAB COc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCO1 96453154 UUSAUSSWXDYCMF-SNVBAGLBSA-N 314.179 2.884 0 40 DFAB C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)C1CCCC1 96403773 VGSZXYJQHVZIMI-LBPRGKRZSA-N 301.452 2.523 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 96346636 MCOFYCMKEYZMBP-FXPVBKGRSA-N 308.592 2.595 0 40 DFAB CCc1nnc(CNC(=O)[C@@H]2CCc3ccccc3C2)s1 582423851 NDNSCECDAODDNN-CYBMUJFWSA-N 301.415 2.522 0 40 DFAB C[C@@H]1CC(NC(=O)NC[C@@](C)(O)C2CCCCC2)C[C@@H](C)O1 249855192 FWOGYERNZHTXKI-PBFPGSCMSA-N 312.454 2.573 0 40 DFAB CSc1ccc(COC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 247547794 UYRUDUWLPYMHLW-VIRABCJISA-N 318.394 2.975 0 40 DFAB CCc1ncc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)s1 252585064 FUCIWFRURAHQFY-BNOWGMLFSA-N 307.463 2.585 0 40 DFAB CO[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[C@@]12CCCO2 257215442 CQCPGAUNCJAKRY-WMZOPIPTSA-N 321.392 2.555 0 40 DFAB O=C(NC1CCCCCC1)N[C@@H]1CCN(CC(F)(F)F)C1 64253642 DUGNGFZSZSEQHQ-GFCCVEGCSA-N 307.360 2.645 0 40 DFAB Cn1cc([C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)cn1 773122782 VEUCLZJTVDJPOY-YBJDMEARSA-N 301.415 2.901 0 40 DFAB O=C1CC[C@@H](Nc2ccccc2OCC(F)(F)F)CCN1 585141383 VDFXNVGCEBDPHG-SNVBAGLBSA-N 302.296 2.708 0 40 DFAB CO[C@@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1cccc(F)c1 585276722 DDLLJYPSFLSYJO-RHSMWYFYSA-N 303.381 2.628 0 40 DFAB Cc1ccccc1-c1noc(CN2CCC[C@H]2Cn2cccn2)n1 69949466 QLXDJPSNIQQSBY-HNNXBMFYSA-N 323.400 2.906 0 40 DFAB C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc23)[C@H](C)CO1 43754736 MBDOAYALEWVNQN-INMHGKMJSA-N 315.413 2.689 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)cc1 43931687 BHQQIRBYBUWPGG-GHMZBOCLSA-N 310.369 2.916 0 40 DFAB Cc1cccc([C@@H]2CCCN2Cc2nc(O)c3cnn(C)c3n2)c1 52863780 SDOLCWGMBPYHHV-HNNXBMFYSA-N 323.400 2.714 0 40 DFAB CCS(=O)(=O)c1ccc(NCc2nc(CC(C)C)no2)cc1 55830534 GKPNNBUXRVNYQB-UHFFFAOYSA-N 323.418 2.674 0 40 DFAB N[C@@H]1C[C@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)[C@H]2C[C@H]21 1580400372 UZHXBXLQZIWGQN-LJISPDSOSA-N 324.346 2.573 0 40 DFAB Cc1cnn(-c2ccc([C@@H](C)NC(=O)c3cc[nH]n3)cc2F)c1 76066522 MHIQNULMRDRSCO-LLVKDONJSA-N 313.336 2.534 0 40 DFAB Cc1ccc(NC(=O)NCC[S@@](C)=O)cc1C(F)(F)F 76069044 KKKWSDMBYMQLHB-FQEVSTJZSA-N 308.325 2.514 0 40 DFAB Cc1ccc([C@H]2CSCCN2Cc2cc(=O)c(O)co2)o1 76011323 CVQWVOCKCOGJRR-GFCCVEGCSA-N 307.371 2.537 0 40 DFAB CC(C)NC(=O)Cc1ccc(NC(=O)N[C@@H]2C=CCCC2)cc1 89885255 WXYVBXLPLGCOGF-OAHLLOKOSA-N 315.417 2.984 0 40 DFAB O=C(NCCOc1ccc(C(F)(F)F)cn1)C1[C@@H]2CCC[C@@H]12 101650148 XWFWLWWZQAZAFR-GHMZBOCLSA-N 314.307 2.642 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)c(O)c1 14848851 PRMVQVALHUHYRO-UHFFFAOYSA-N 319.405 2.661 0 40 DFAB COc1ccccc1OCC(=O)NCCc1ccc(F)cc1 6305447 GAMMMWKRWMZOBG-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 3398574 LWIQEKKDWFVKJX-ZDUSSCGKSA-N 312.369 2.937 0 40 DFAB COc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 7708160 OOFYBDQTHWXLLB-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB COc1ccc2sc(N3CC(Cn4ccnc4C)C3)nc2c1 1889168620 RHMVTDUIFHUERC-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB COCCCNC(=S)Nc1c(F)c(F)c(F)c(F)c1F 2766727 VZLXCZHZVTWHJG-UHFFFAOYSA-N 314.279 2.705 0 40 DFAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 2087130516 KKONCZQMEWDDPE-CQSZACIVSA-N 316.449 2.827 0 40 DFAB Nc1cc([C@H]2CCCNC2)nc2cc(-c3cccc(F)c3)nn12 12338317 LFECDOUQZLOHBE-LBPRGKRZSA-N 311.364 2.585 0 40 DFAB COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(C)c1 31098285 BAIVLHDXIAEDTO-OAHLLOKOSA-N 300.358 2.859 0 40 DFAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4CCOCC4)nc3C2)cc1 105808 DHJABAQDQDHOAR-HNNXBMFYSA-N 323.396 2.534 0 40 DFAB C[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 101386930 XJGUOILTVZHYGI-FUHWJXTLSA-N 313.445 2.836 0 40 DFAB C[C@H]1C[C@H](OC(=O)c2cccnc2Oc2ccccc2)C(=O)O1 32736608 HSMDOMITTLCQEM-FZMZJTMJSA-N 313.309 2.735 0 40 DFAB CCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 365865 IMOKNDGPFKNIDQ-QGZVFWFLSA-N 315.394 2.965 0 40 DFAB C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102300449 KVXZJTQTNRUDEA-XDQVBPFNSA-N 314.385 2.535 0 40 DFAB Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)c1 33238757 JTMJIXJOBDVABP-LJQANCHMSA-N 322.408 2.647 0 40 DFAB C[C@]1(C(=O)NCC2CCCC2)Sc2ccccc2NC1=O 41645258 IWTMNGNVBBDLCM-MRXNPFEDSA-N 304.415 2.796 0 40 DFAB O=C1C[C@H](Nc2ccccc2)C(=O)N1CCc1ccccc1F 103559527 QRZGRKPAUJWJOB-INIZCTEOSA-N 312.344 2.608 0 40 DFAB CC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 22511517 CZVMXKQKWMORGZ-UHFFFAOYSA-N 304.296 2.853 0 40 DFAB O=c1[nH]ncc(NCc2ccnc(OC3CCCC3)c2)c1Cl 42107961 AVQKKEUUXCAHAJ-UHFFFAOYSA-N 320.780 2.752 0 40 DFAB CC[n+]1c(C)n(C[C@@H](O)COc2ccccc2)c2ccccc21 316206 HRZCSYSTMOVJNS-MRXNPFEDSA-N 311.405 2.697 0 40 DFAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc2c(c1)OCCO2 351537 BQUFRVPHIRVTFL-GXDHUFHOSA-N 307.305 2.802 0 40 DFAB Cc1cc(C)cc(NC(=O)Cn2nnc(-c3cccs3)n2)c1 418250 AGQFVHYLJHYPNM-UHFFFAOYSA-N 313.386 2.657 0 40 DFAB Fc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 527060 FNUWEZMXKIGSAO-UHFFFAOYSA-N 311.345 2.837 0 40 DFAB CC[C@H](OC(=O)c1ccco1)C(=O)NCc1ccc(C)cc1 1328608 BECGRTJZPQITGU-AWEZNQCLSA-N 301.342 2.840 0 40 DFAB Cc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2 1398564 AZVHXRNBJVTBNS-UHFFFAOYSA-N 308.790 2.760 0 40 DFAB O=C(O)c1c(F)c(Br)nc(Br)c1F 2524947 QGQWDPUTSPOCDM-UHFFFAOYSA-N 316.883 2.583 0 40 DFAB Cc1csc(SCC(=O)N2CC(=O)Nc3ccccc32)n1 2626889 LSPBDNGWLJBOFU-UHFFFAOYSA-N 319.411 2.529 0 40 DFAB Cc1cccc(-c2nnc(SCC(=O)N3CCCC3)n2C)c1 2636110 JOBMWNTVXNYJHT-UHFFFAOYSA-N 316.430 2.505 0 40 DFAB Cc1cccc(NC(=O)CNC2CC(C)(C)NC(C)(C)C2)c1 3266336 BGJVDBPDUQQKHS-UHFFFAOYSA-N 303.450 2.832 0 40 DFAB C/C=C/c1ccc(OCC(=O)NCC(F)(F)F)c(OC)c1 3404636 JJMFGFPXYJLTIA-ONEGZZNKSA-N 303.280 2.786 0 40 DFAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 4018478 NGDKSUMWAZNTCW-DKIMLUQUSA-N 317.344 2.646 0 40 DFAB Cc1cccn2c(=O)nc(SCc3ccccc3F)nc12 4504138 NPZBXLZCDJMQEM-UHFFFAOYSA-N 301.346 2.829 0 40 DFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)no1 5013930 ZUKHTAIFRSERHP-VJDWVQAOSA-N 322.364 2.912 0 40 DFAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 5817249 JKEZADXURCDUQJ-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB Brc1c(CSc2ncn[nH]2)nc2ccccn12 6554268 DKVBKDMQIGGWHU-UHFFFAOYSA-N 310.180 2.507 0 40 DFAB Cc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c(C)c1 7003251 VDHWMRZAXLCXJQ-UHFFFAOYSA-N 312.479 2.701 0 40 DFAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 8012898 PTFMTROQBSVMLH-GFCCVEGCSA-N 324.384 2.897 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1F 8394597 ZVSQQLBJHCXSMB-MRXNPFEDSA-N 316.376 2.867 0 40 DFAB Cc1ccccc1-n1c(C)nnc1S[C@H]1C[C@@H](C)OC1=O 8428604 FOIZAZXEZSDNGO-MFKMUULPSA-N 303.387 2.680 0 40 DFAB O=C(NCCOc1ccc(Cl)cc1)NCc1ccccn1 9112501 KLWRDYICENMYMF-UHFFFAOYSA-N 305.765 2.613 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 9153939 MCFOHKNBZGFMPH-DOTOQJQBSA-N 314.429 2.764 0 40 DFAB COc1ccc([C@H](NC(=O)C2CCCC2)c2nccn2C)cc1 9157092 IMNMOIAWDMQMGH-INIZCTEOSA-N 313.401 2.825 0 40 DFAB Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)on1 11751964 WRVKRAPTMCPPNS-UHFFFAOYSA-N 317.326 2.616 0 40 DFAB CCCCN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2 12345491 XDLPVYLQHJQJJK-AWEZNQCLSA-N 319.792 2.590 0 40 DFAB COc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12994773 MTZGWTFAKFAMJR-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB COc1ccc(CC(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 13224063 DJGDJFXMGCQUTI-MRXNPFEDSA-N 313.353 2.570 0 40 DFAB O=C(CN1CCSC1=O)Nc1nc2c(s1)CCCCC2 14810410 LZQIFZSONYDGKI-UHFFFAOYSA-N 311.432 2.519 0 40 DFAB C[N+]1=C2[C@@H](OC(=O)c3ccccc3)CCN2Cc2ccccc21 17146391 MITCMRGEDKCCED-KRWDZBQOSA-N 307.373 2.804 0 40 DFAB biogenic CCc1c(C)nn(S(=O)(=O)c2ccc3ccccc3c2)c1O 18191519 IWFUCVQNZIMUQU-UHFFFAOYSA-N 316.382 2.850 0 40 DFAB CCC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2=O 19327341 GCGSDAMDAMXJLM-UHFFFAOYSA-N 304.821 2.955 0 40 DFAB O=C(c1cccnc1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19337336 GAVCITNYDVRTHA-AWEZNQCLSA-N 312.373 2.752 0 40 DFAB CCn1nc(C)c(-c2cc(C(=O)O)n3ncc(Cl)c3n2)c1C 20605631 HENOUEIHUOHHMH-UHFFFAOYSA-N 319.752 2.581 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20738784 HGVVZWRBFQACLY-KBXCAEBGSA-N 324.380 2.853 0 40 DFAB CCCCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 21168722 OUVRNXCOTJICFS-UHFFFAOYSA-N 317.389 2.984 0 40 DFAB CN1CCN(Cc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 22027909 FYFSFVRTFZYAJP-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB Cc1cc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)n[nH]1 22504134 LGYOCHYDNFLUFS-UHFFFAOYSA-N 300.322 2.690 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 23219058 SYKXDIORCJCIFB-HNNXBMFYSA-N 302.374 2.953 0 40 DFAB CC(C)CC[C@@H](C)NC(=O)C[C@H](NC(N)=O)c1ccccc1F 24463428 NSPUVUGZXSAZJQ-DOMZBBRYSA-N 323.412 2.866 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1Cl 26469589 ZPDRCPCVEVKLNC-UHFFFAOYSA-N 318.185 2.966 0 40 DFAB CN(CCn1nc2ccccn2c1=O)[C@@H]1CCCc2ccccc21 26927734 BTOQYFQNHLMRQX-QGZVFWFLSA-N 322.412 2.505 0 40 DFAB O=C(NCCc1ccccc1)c1cccc(Cn2cccn2)c1 28577092 PJOCTZOOAQIBRJ-UHFFFAOYSA-N 305.381 2.904 0 40 DFAB Cc1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 28727218 HSOJPOYBAWASBR-CQSZACIVSA-N 318.442 2.835 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1ccc(C)cc1)CC(C)C 31703145 DHBDSDDGYJNNJA-MRXNPFEDSA-N 320.433 2.815 0 40 DFAB CC(=O)c1ccccc1NC(=O)c1cn(-c2ccccc2)nn1 31875441 VIHLWKRXMZJSFH-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB Cc1noc(C)c1COC(=O)c1ccc(N2CCCC2=O)cc1 32945328 XQLIHRLXKDFURB-UHFFFAOYSA-N 314.341 2.775 0 40 DFAB O=C(COc1ccc2c(c1)C(=O)CC2)Nc1nc2ccccc2[nH]1 38488333 DCEOTNUUUJCXDK-UHFFFAOYSA-N 321.336 2.709 0 40 DFAB CC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(C)cc1 39977554 RVPASPKOXRPDPM-LJQANCHMSA-N 324.424 2.921 0 40 DFAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(C)no1 40040824 QQDSNOCMSHVISP-LBPRGKRZSA-N 305.403 2.992 0 40 DFAB COc1cc(C)c([C@@H](C)NC(=O)Nc2nncs2)cc1OC 43127415 XBHFLAZQLYHCRE-SECBINFHSA-N 322.390 2.746 0 40 DFAB CC(C)[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(F)cc1 44372881 FPBUOQCAJFHSHA-BBRMVZONSA-N 306.381 2.507 0 40 DFAB CCOCc1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 45926633 GCKILNYZYGUXLU-UHFFFAOYSA-N 301.390 2.503 0 40 DFAB CCCCOC(=O)CSc1nc(C)c(C)n1CCOC 47560682 UXHRSIVRYQLRJN-UHFFFAOYSA-N 300.424 2.582 0 40 DFAB COc1ccc(CCNC(=O)CSc2ccncc2)cc1 48089151 KSKVQSYUEVZIEJ-UHFFFAOYSA-N 302.399 2.541 0 40 DFAB COC(=O)C[C@H](NC(=O)[C@@H](C)OCC(C)C)c1ccc(C)cc1 48333612 KBNPKJYWJKANDU-ZBFHGGJFSA-N 321.417 2.777 0 40 DFAB Cc1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)cc1 48375452 AQCDHVZMQVQBDD-UHFFFAOYSA-N 303.427 2.829 0 40 DFAB CC(=O)Nc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1C 48383597 SEMZHZPZNOGZIW-KBPBESRZSA-N 316.357 2.559 0 40 DFAB C[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br 49091724 YZVGTOUKHDPZFI-VIFPVBQESA-N 323.190 2.791 0 40 DFAB Cc1cc(-c2csc(S(=O)(=O)NCc3ccco3)c2)on1 49545872 IUFMWDDVJVHIAK-UHFFFAOYSA-N 324.383 2.783 0 40 DFAB CCOC(=O)c1cnc2ccccc2c1N1CCC[C@H](CO)C1 50928389 ZKXJMMWCTQKZLE-ZDUSSCGKSA-N 314.385 2.620 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)N(C)c1ccc(F)cc1 51356329 ZAQWOSYFITZYHB-UHFFFAOYSA-N 301.317 2.954 0 40 DFAB COc1ccnc(N[C@H](c2ccc(F)cc2)c2nccn2C)n1 53599765 LUNDGFMUUWXTIL-CQSZACIVSA-N 313.336 2.559 0 40 DFAB C[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cccn2)C1 54093965 VUYMXOPHLKNVJM-OAHLLOKOSA-N 312.417 2.873 0 40 DFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(F)cccc21 55684280 BHIBLFNVYUMAEQ-YGRLFVJLSA-N 322.380 2.842 0 40 DFAB COc1ccc2[nH]c(C)c(C(=O)CN3CCSCC3)c2c1 57063801 VWMOMAFDCKAOCK-UHFFFAOYSA-N 304.415 2.716 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNc1ccccc1C 57287677 FXAAHBYQBZKJPG-OAHLLOKOSA-N 306.406 2.501 0 40 DFAB C[C@H](NC(=O)CN1C(=O)C(C)(C)c2ccccc21)c1ccncc1 57355603 PDZKYAWJGDDZMT-ZDUSSCGKSA-N 323.396 2.583 0 40 DFAB CCN(CCNC(=O)[C@@H](C)OCC(C)C)c1ccccc1C 58166581 FDXSZIVIQNWCIV-MRXNPFEDSA-N 306.450 2.999 0 40 DFAB C[C@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)NC(C)(C)C 58281819 FZOKENKVGKFAGW-QMMMGPOBSA-N 323.393 2.870 0 40 DFAB COc1c(C)cnc(CN(C)C(=O)/C=C/c2ccco2)c1C 58958671 XWUOVIPNYBPSQQ-BQYQJAHWSA-N 300.358 2.972 0 40 DFAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(N)=O 59680648 SBSRLHSUKWJJHQ-UHFFFAOYSA-N 320.776 2.825 0 40 DFAB COc1ccc(N(C)C(=O)c2ccc3nc(C)c(C)nc3c2)cn1 63476690 HNZKUVSSXQVEHN-UHFFFAOYSA-N 322.368 2.927 0 40 DFAB COCc1cccc(NC(=O)c2cn(C)nc2-c2cccnc2)c1 65866088 JFJHUCDUVWZVKZ-UHFFFAOYSA-N 322.368 2.881 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)c2cccc(F)c2)cc1C 67197477 PLHPQWSEHRLHCS-UHFFFAOYSA-N 315.344 2.916 0 40 DFAB CC(C)NC(=O)CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401311 ASSVXCBUFJJXFD-KRWDZBQOSA-N 324.852 2.610 0 40 DFAB COc1cccc2c(C)c(C(=O)NCCCn3ccnc3)oc12 69351666 JGEFBUVWVCPQDG-UHFFFAOYSA-N 313.357 2.766 0 40 DFAB CNC(=O)COC(=O)c1cc(Br)cc2ccccc12 69738155 PBDDUJGZSMOHFQ-UHFFFAOYSA-N 322.158 2.505 0 40 DFAB Cc1nc(Cc2nn3c(-c4ccccn4)nnc3s2)cs1 71283126 YVKYEYBWBKQSJF-UHFFFAOYSA-N 314.399 2.604 0 40 DFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(C)=O 71844194 YVCFDRXKRMMPLN-SJORKVTESA-N 302.418 2.697 0 40 DFAB CNC(=O)c1ccc(CSc2ccc3[nH]c(=O)oc3c2)cc1 71889193 AQNJOTOXSWTDKM-UHFFFAOYSA-N 314.366 2.773 0 40 DFAB Cc1nccn1-c1cncc([C@H]2CCCN2Cc2ccccn2)n1 72378623 XDCSWLJBMLZRFX-QGZVFWFLSA-N 320.400 2.703 0 40 DFAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2ccn[nH]2)C1 72386256 FUNSEBYKXPOXJF-AWEZNQCLSA-N 301.365 2.888 0 40 DFAB CC(C)N1CCC[C@H](Cc2ccc(N3CCSCC3)nn2)C1 72387415 AEWGCGQQEZBHLC-OAHLLOKOSA-N 320.506 2.693 0 40 DFAB COc1ccc(-c2cc(C(=O)Nc3cccnc3)n(C)n2)cc1 72405221 OWWGTBKYEVUOFI-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12 75129938 BHNKLJZQYWJCAN-HNNXBMFYSA-N 323.400 2.891 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(Cl)nc1Cl 75137301 GNYWOAILIZAVSX-SSDOTTSWSA-N 313.188 2.921 0 40 DFAB Cc1n[nH]c(C(=O)N2CCOc3ccccc32)c1Br 77471607 OEFXKFCQHRYYHR-UHFFFAOYSA-N 322.162 2.520 0 40 DFAB CC(=O)c1ccccc1NC(=O)COc1cccnc1Cl 77494111 BTUIOURBMLDDKQ-UHFFFAOYSA-N 304.733 2.955 0 40 DFAB CC[C@@H](C)CN(C)C(=O)NCCOc1cccc(NC(C)=O)c1 78645536 FIGRAWVIOIXLQG-CYBMUJFWSA-N 321.421 2.711 0 40 DFAB Cc1cc(NC(=O)c2ccccn2)n(-c2nc3ccccc3o2)n1 84105341 DZHDNUKEYQVHFJ-UHFFFAOYSA-N 319.324 2.969 0 40 DFAB C[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)n1cccn1 85482911 GYQKNSUVIDUXSZ-HOCLYGCPSA-N 311.385 2.708 0 40 DFAB COc1cc(NC2CCN(C[C@@H]3CCOC3)CC2)cc(OC)c1 85868322 GVSZHHABRDIFJV-AWEZNQCLSA-N 320.433 2.617 0 40 DFAB Cc1cccnc1CNC(=O)c1cnc(-c2cccnc2)s1 89700566 FITSCTXPBBWMII-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB CC(C)C[C@H](C)OCCC(=O)Nc1cccc(-c2nnn[nH]2)c1 89802443 MTDVPYGLXGTPSX-LBPRGKRZSA-N 317.393 2.647 0 40 DFAB CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H](C)[S@@](C)=O 89888056 JVOQSZOXOIFHDD-SBKAZYGRSA-N 317.838 2.624 0 40 DFAB CN(C)c1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1 90611681 CLSORRHXSKKVLD-INIZCTEOSA-N 318.804 2.869 0 40 DFAB CN(CC(C)(C)O)C(=O)NCC1(c2cccs2)CCCC1 95411221 MMJRLTMNNPANEY-UHFFFAOYSA-N 310.463 2.972 0 40 DFAB Cc1nc(CNC(=O)N[C@H](C)C[C@H](O)c2ccccc2)oc1C 95412415 UCHQHRYFJNYXDJ-ABAIWWIYSA-N 317.389 2.603 0 40 DFAB CC1(CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCCC1 95426151 GNJBRCCWHKEXIX-CZUORRHYSA-N 312.479 2.921 0 40 DFAB Cc1ccc(CCC(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)o1 95430057 ICSHRODSTNMCGM-YVEFUNNKSA-N 305.349 2.898 0 40 DFAB CC(C)[C@H](O)CC(=O)NCc1cc(F)ccc1Br 95432639 XMVZROWOMMOIRX-GFCCVEGCSA-N 318.186 2.611 0 40 DFAB Cc1oc(C)c(C(=O)/N=c2/sccn2C)c1Br 95948824 ZAATWZPVVJSZQP-ACCUITESSA-N 315.192 2.800 0 40 DFAB CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1ccc2[nH]cnc2c1 95970890 QLRDRUGJSMUIBZ-CABCVRRESA-N 301.390 2.886 0 40 DFAB CC1([C@@H]2CCCN(C(=O)NC[C@@H]3CC=CCC3)C2)OCCO1 96010877 NDUONNXZSVTHNF-HUUCEWRRSA-N 308.422 2.527 0 40 DFAB CN(Cc1ccco1)[C@@H]1CCC12CCN(c1ncccn1)CC2 96051572 ZOOCINHQCKKADZ-MRXNPFEDSA-N 312.417 2.951 0 40 DFAB O=C(C1=CCCC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106039 PONMOHCSZYIDHE-KRWDZBQOSA-N 319.445 2.921 0 40 DFAB CN(C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccncc1 96201000 XEZBMQLVTWGBMM-CABCVRRESA-N 315.442 2.531 0 40 DFAB Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](O)C(C)C)c2)n1 96420125 UTRBZCMSUDDDOR-INIZCTEOSA-N 316.405 2.628 0 40 DFAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 96442616 MDMNMYIJNMEPOH-CQSZACIVSA-N 315.394 2.954 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[S@](=O)C(C)(C)C3)cc2o1 96475941 MYWNDTWNVPCHMW-JOCHJYFZSA-N 321.402 2.511 0 40 DFAB CC(C)c1cc(C(=O)Nc2cc(C(=O)O)ccc2F)nn1C 97036200 ARTISAUVWMUQIO-UHFFFAOYSA-N 305.309 2.633 0 40 DFAB Fc1ccccc1COC1CCN(Cc2csnn2)CC1 97051433 GMKXIHZSHISFRW-UHFFFAOYSA-N 307.394 2.858 0 40 DFAB CCCn1nccc1NC(=O)NC[C@H](C)c1ncc(C)s1 97374821 GTVCQKIUIMNNOU-JTQLQIEISA-N 307.423 2.983 0 40 DFAB CCc1cnc(CCNC(=O)NC2Cc3ccccc3C2)s1 97377424 GPYVQPRGQXQGII-UHFFFAOYSA-N 315.442 2.715 0 40 DFAB COc1cccc(Cl)c1CC(=O)N1CC[C@@]2(CCOC2)C1 97378931 FUBFDROZFHXIOB-MRXNPFEDSA-N 309.793 2.530 0 40 DFAB CCN(C[C@H]1CCOC1)C(=O)/C=C(\C)c1cccc(OC)c1 98018948 XURQDTMVSPOYKN-YVGNARHYSA-N 303.402 2.984 0 40 DFAB Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100395472 OAPZOXGLZGZDEE-NEMWNAMBSA-N 322.408 2.726 0 40 DFAB O=S(=O)(Cc1cc(O)n(-c2ccccc2)n1)c1ccccc1 100436775 SAPUVNUBGOIJIY-UHFFFAOYSA-N 314.366 2.552 0 40 DFAB COc1ccc(C)c2s/c(=N\C(=O)c3ccco3)n(C)c12 100823905 FLGQSTFTSAAHSX-NXVVXOECSA-N 302.355 2.891 0 40 DFAB CCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101336379 LQXLAYZDZSXWMU-SYWGBEHUSA-N 324.380 2.737 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCCCc1ccccc1 102327503 FGHCKURSFXJJHL-QAETUUGQSA-N 315.413 2.872 0 40 DFAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccc(F)cc3)C(=O)[C@@H]2C1 105438400 XPOCSKKNYAEKMW-HZPDHXFCSA-N 317.360 2.936 0 40 DFAB c1csc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)c1 107731337 BGAUJLZCNIIICF-GDBMZVCRSA-N 303.431 2.941 0 40 DFAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 113954833 ZRTQCLPFYKMEJO-OAHLLOKOSA-N 304.434 2.590 0 40 DFAB O=C(CC[C@H]1CCCO1)N[C@H]1CCN(c2cccc(Cl)c2)C1 195535773 NJKZIQCZGYRHNF-GOEBONIOSA-N 322.836 2.994 0 40 DFAB CSc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)cn1 195570729 NHOIRAPLUQLRIT-UHFFFAOYSA-N 314.292 2.865 0 40 DFAB Cc1ccc([C@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218444710 WWLLIVNJHMJFIJ-ULQDDVLXSA-N 302.395 2.543 0 40 DFAB CN(C(=O)C(F)(F)F)c1cc(Cl)ccc1N1CCOCC1 226280487 PQASKIVLAHKSNP-UHFFFAOYSA-N 322.714 2.702 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 249063714 SGWIXYJKTATHGJ-MQIPJXDCSA-N 319.405 2.573 0 40 DFAB CCCNc1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O 256046106 CRTKGMFIOWMHEI-UHFFFAOYSA-N 314.267 2.806 0 40 DFAB O=C(/C=C/c1ccco1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827060 DRRFKGFJNPVHSU-LFAOLKIESA-N 301.346 2.697 0 40 DFAB CCCCc1nnc(SCC(=O)N(C)c2ccccc2)n1C 408561023 VJBWBETWLZFSAW-UHFFFAOYSA-N 318.446 2.913 0 40 DFAB O=C(Nc1ccc2c(c1)CCO2)c1c[nH]nc1-c1cccnc1 518578887 QNULBASZAJQYBN-UHFFFAOYSA-N 306.325 2.659 0 40 DFAB CCn1ncc(CNC(=O)Nc2c(Cl)ccc(C)c2C)n1 529084283 YLHULQRWRDWMRO-UHFFFAOYSA-N 307.785 2.890 0 40 DFAB O=C(NCC1CCc2ccccc2CC1)[C@H]1CCc2nccn2C1 529609592 JBFOCCRQAZIOSD-SFHVURJKSA-N 323.440 2.757 0 40 DFAB C[C@@H](C1CC1)n1cc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cn1 565196268 SRGBWBGSDGKFQQ-NSHDSACASA-N 324.388 2.835 0 40 DFAB Cn1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([C@@H]2CCOC2)n1 571970157 ZMLFCFMGTDHQGM-IJEWVQPXSA-N 317.433 2.623 0 40 DFAB CCn1nncc1CN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 579211386 IRYSDSUELUHEIH-ZDUSSCGKSA-N 309.417 2.735 0 40 DFAB CSCC[C@@H](O)CNC(=O)Nc1ccccc1C(F)(F)F 1775967647 ZJQYXCAKPQUJTG-SECBINFHSA-N 322.352 2.941 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Oc1ccccc1 260767 NPJZMZVCPACENZ-HNNXBMFYSA-N 302.374 2.709 0 40 DFAB CCCn1nnnc1NC(=O)c1cccc(O[C@H](C)CC)c1 569462 JPRSTVINIWNGCB-LLVKDONJSA-N 303.366 2.513 0 40 DFAB COc1ccc(-n2nnnc2-c2cn(C)c3ccccc23)cc1 982042 IDGZGJMNJVVHQY-UHFFFAOYSA-N 305.341 2.830 0 40 DFAB C[C@@H](CNC(=O)c1cccnc1Cl)N(C)c1ccccc1 78934938 PNRBGNVJZWEKRO-LBPRGKRZSA-N 303.793 2.990 0 40 DFAB Cc1nc(CN2C(=O)c3ccc(F)cc3C2=O)nc2ccccc12 79021341 UQJQISBTOVRBCC-UHFFFAOYSA-N 321.311 2.874 0 40 DFAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(C)n1C1CC1 24991138 DWWVZMIJLPLCRW-MRXNPFEDSA-N 312.417 2.981 0 40 DFAB O=C(OC1CCCCCC1)[C@H]1CSCN1C(=O)C1CCC1 106592255 DRWQLISIBLPCQD-CQSZACIVSA-N 311.447 2.954 0 40 DFAB COc1ccccc1C1=NO[C@@H](C(=O)NCCc2ccccc2)C1 6738335 ASZHOLKJDFTUAS-GOSISDBHSA-N 324.380 2.547 0 40 DFAB biogenic CCc1ccccc1NC(=O)CSc1ncnc2[nH]cnc12 7344096 OLGNGRNMSIPUEH-UHFFFAOYSA-N 313.386 2.646 0 40 DFAB O=C(NCC(=O)N1CCCC1)c1sc2ccccc2c1Cl 7985702 GOUJESORVSRILN-UHFFFAOYSA-N 322.817 2.907 0 40 DFAB CCOC(=O)[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 44070017 RXJJMCKWQBBLKA-RYUDHWBXSA-N 309.410 2.703 0 40 DFAB COCCn1cc(C(=O)NCc2ccccn2)c2ccccc21 57419137 DQKSBKCXDNSECT-UHFFFAOYSA-N 309.369 2.613 0 40 DFAB Cc1cnc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cn1 44616820 PYMGFTGDBPIMLX-SNVBAGLBSA-N 307.300 2.877 0 40 DFAB COc1ncccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 58080384 AFSXPNWBAFWUGJ-SUMWQHHRSA-N 320.437 2.722 0 40 DFAB Cn1ccc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc43)cc21 95479049 IPTCWFXGXVQZRE-MRXNPFEDSA-N 319.364 2.992 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccccc2O)[C@H](c2ccccc2)CO1 86337356 UZUHQSZGRVWDCE-YOEHRIQHSA-N 311.381 2.923 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 44973618 DEDZWOYVSFBMTI-KBPBESRZSA-N 314.385 2.892 0 40 DFAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1CCC1 25943956 WGYKFYFBVDWQLK-ZDUSSCGKSA-N 301.415 2.666 0 40 DFAB O=C(/C=C/c1cnccn1)N[C@H](c1ccccc1)c1ccncc1 84525061 FYZXLOSQAQBIRM-OVKVCFKUSA-N 316.364 2.791 0 40 DFAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(O)cc1 36354710 HKBDWMBRFDLUAS-UHFFFAOYSA-N 323.352 2.521 0 40 DFAB CCNC(=O)c1cc(NC(=O)c2cc(C)no2)nc2ccccc12 95448225 UYIRIRTUPJMHOU-UHFFFAOYSA-N 324.340 2.533 0 40 DFAB Cc1cc(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)ccn1 119796781 AOOYDYWGHGGDED-CYBMUJFWSA-N 319.405 2.976 0 40 DFAB NC(=O)c1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1 29263489 BIDHVPQJNFUKAF-UHFFFAOYSA-N 312.344 2.729 0 40 DFAB CCCn1nc(C(=O)Nc2cccc(Cl)c2C)ccc1=O 11781971 NHTFCBAGTBSDDD-UHFFFAOYSA-N 305.765 2.867 0 40 DFAB CC[C@@H](NC[C@H]1COc2ccccc2O1)c1c(C)nn(C)c1C 95419280 PQKZKEKOSMVYSG-LSDHHAIUSA-N 315.417 2.918 0 40 DFAB Cc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)c1 47364608 SFWBFIHMXQZFRQ-UHFFFAOYSA-N 318.394 2.969 0 40 DFAB CCc1nc2c(s1)[C@H](N[C@@H]1CCCN(C(=O)OC)C1)CCC2 95421601 BUTMEKLYDDMAQH-VXGBXAGGSA-N 323.462 2.903 0 40 DFAB COc1ccc(/C=C/C(=O)O[C@@H]2CCCCC2=O)cc1OC 3290556 DSGKSJVZUNNPEQ-QSYFUGGGSA-N 304.342 2.772 0 40 DFAB CC1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 22235389 RGZXBZCKYHCPJI-UHFFFAOYSA-N 310.397 2.820 0 40 DFAB Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 3221350 QVKLKBZEQVZAIM-UHFFFAOYSA-N 317.342 2.697 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)CS[C@H](C)c2ccccc2)C1 95418027 GEPIBPIRIJTICV-CZUORRHYSA-N 320.458 2.608 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCOc1ccccc1F 12773315 GXMKXPQWGHDIKV-GDBMZVCRSA-N 322.424 2.831 0 40 DFAB CN(C)C1(CNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CCCCC1 102971578 ZRCHVVUEFSLPRW-KFWWJZLASA-N 309.523 2.904 0 40 DFAB Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCCC2)nc1 22326927 WMRCZHDXWWRXJZ-UHFFFAOYSA-N 314.389 2.858 0 40 DFAB C[C@@H](OC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 3442398 BVQOBLGSZXCKHK-GFCCVEGCSA-N 313.328 2.960 0 40 DFAB CONC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 13004479 ORFKNMMINIUBAI-UHFFFAOYSA-N 323.352 2.839 0 40 DFAB Cc1ccc(CNC(=O)CN2C(=O)CCCc3ccccc32)cc1 21870654 JKAQKKIUVMUKDW-UHFFFAOYSA-N 322.408 2.981 0 40 DFAB O=Cc1sc(N2CCN(c3ccccc3)CC2)nc1Cl 62702385 MAZIBHNWNVFLOH-UHFFFAOYSA-N 307.806 2.936 0 40 DFAB c1cnc(Oc2cccc(CNCCCn3ccnc3)c2)nc1 13731694 QTSMHRHVYAUOAG-UHFFFAOYSA-N 309.373 2.645 0 40 DFAB COc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OC 6154132 FKTJMAUWADSVGA-UHFFFAOYSA-N 324.336 2.798 0 40 DFAB Cc1ccc2cccc(OS(=O)(=O)N3CCCCC3)c2n1 4335362 BPENYRBOXKUBLS-UHFFFAOYSA-N 306.387 2.653 0 40 DFAB CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 65474304 XCMSEFYFRNDRTO-UHFFFAOYSA-N 323.462 2.664 0 40 DFAB CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2[nH]cnc2C)C1 65435038 LQUFSJSRWXXDAT-IKGGRYGDSA-N 313.401 2.686 0 40 DFAB NC(=O)c1coc(-c2csc(-c3cccc(C(=O)O)c3)n2)c1 65585529 CXGRCLJRQYVNKN-UHFFFAOYSA-N 314.322 2.867 0 40 DFAB COc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1F 83414583 YLXWIFXTVNFAQI-INIZCTEOSA-N 323.408 2.994 0 40 DFAB COc1ccc(CC(=O)NCCOc2ccccc2F)cc1F 14119463 VPFHHFURCXLWRT-UHFFFAOYSA-N 321.323 2.711 0 40 DFAB Cc1cccc(C)c1NC(=O)COC(=O)COc1ccccc1 6460090 FRXGXDANLSJJBA-UHFFFAOYSA-N 313.353 2.864 0 40 DFAB CCN(CC)CCC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12 4503573 DRPCGDZHQBXSCK-UHFFFAOYSA-N 317.389 2.625 0 40 DFAB COCCOC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccco1)C2 4520071 KKXKXXCLRVTABG-NSHDSACASA-N 318.325 2.897 0 40 DFAB COC[C@H]1CCCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C1 74666479 HQHPXVWTLNTJHW-JSGCOSHPSA-N 323.462 2.971 0 40 DFAB CC(C)Oc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 66433576 AEQQZHNUWJFCEE-LLVKDONJSA-N 320.364 2.562 0 40 DFAB COCC(=O)Nc1cccc(NC(=O)NCC2(C)CCCC2)c1 66667680 XPTUTMRLCQYYBD-UHFFFAOYSA-N 319.405 2.973 0 40 DFAB Cc1noc(CCCNC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)n1 66724483 NATMKSVLHDOJPW-NANSOSEBSA-N 315.373 2.857 0 40 DFAB COc1ccccc1OCC(=O)NCCSCc1ccco1 6997083 BZPPLECMKZDDNW-UHFFFAOYSA-N 321.398 2.717 0 40 DFAB C[C@H]1CN(CCC(=O)Nc2ccc3c(c2)CCC3)C[C@H](C)O1 19889761 YHWWUONTQSLJCH-KBPBESRZSA-N 302.418 2.613 0 40 DFAB C[C@@H](CC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C1CC1 71830297 GXTPGIFEWCMELU-XJKSGUPXSA-N 300.402 2.512 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(C(=O)O)cc1 71816288 MYJCWXIFPXJLGH-UHFFFAOYSA-N 308.337 2.725 0 40 DFAB Cc1nc(C)c([C@H](C)NC(=O)NCc2c(C)noc2C)s1 71826972 RJYMVLBZGJTWLL-VIFPVBQESA-N 308.407 2.925 0 40 DFAB COc1cccc(Nc2nnc(Cc3ccccc3)c(O)n2)c1 16777426 BGGSULKLRFTLAW-UHFFFAOYSA-N 308.341 2.920 0 40 DFAB C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73817155 IJRCGZOHYIZPNO-BMFZPTHFSA-N 319.424 2.635 0 40 DFAB C[C@H](CN1CCOCC1)N1CCC(=Cc2ccccc2)CC1 91589616 QUOPZBATRFZLBK-QGZVFWFLSA-N 300.446 2.887 0 40 DFAB Cc1cc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)[nH]1 91765216 ZKIMQJBRBNZIAD-IUODEOHRSA-N 320.339 2.858 0 40 DFAB CCc1nc(COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 69618958 OVKOQIFJQXBXLY-NSHDSACASA-N 322.430 2.540 0 40 DFAB CCN(Cc1ccoc1)C(=O)NCCNC(=O)C1CCCCC1 69776329 SQDHZZQTHXFFGN-UHFFFAOYSA-N 321.421 2.508 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(C)(=O)=O)c1 17963395 ONXATFZXHNNNFW-CYBMUJFWSA-N 317.410 2.890 0 40 DFAB CC(C)CN1CCO[C@@H](CNCc2c[nH]c3ccccc23)C1 9834684 HEKBTSGWQKTNBA-INIZCTEOSA-N 301.434 2.614 0 40 DFAB Clc1ccc2cccnc2c1CN[C@H]1CCc2ncnn2C1 69948335 ZKIOUGCLYFVGOM-LBPRGKRZSA-N 313.792 2.584 0 40 DFAB O=C(OCC1CCN(Cc2ccco2)CC1)C1=COCCC1 97032856 XFEQYHNDFUPYQW-UHFFFAOYSA-N 305.374 2.729 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@@H](C)OC[C@@H]1C 97095316 HLXOJSVGPYIUGD-XQQFMLRXSA-N 322.453 2.826 0 40 DFAB NC(=O)CCOc1ccccc1NC(=O)c1ccccc1Cl 43245107 ZIPOELUYHZHBLH-UHFFFAOYSA-N 318.760 2.847 0 40 DFAB Cn1cnc(-c2cccc(NCc3cnc4ccccn34)c2)n1 97100363 WUVZLJHSXGJSOK-UHFFFAOYSA-N 304.357 2.742 0 40 DFAB COc1cc(CNC(=O)CCOc2ccc(C)cc2C)ccn1 24439173 HMGHHZLQBWSZSX-UHFFFAOYSA-N 314.385 2.792 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 77967834 JABVYFJKVWTMMA-LLVKDONJSA-N 316.361 2.856 0 40 DFAB CCC(C)(CC)NC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 89942048 XKSXRDYIFBRONY-LBPRGKRZSA-N 316.409 2.601 0 40 DFAB C[C@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCO1 75572825 YXJVXVQZVWEKIT-SWLSCSKDSA-N 312.373 2.833 0 40 DFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCN(C)c1ccccc1 24241508 UTKPELHEBVBSSB-AWEZNQCLSA-N 316.376 2.846 0 40 DFAB O=C([C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCCC1 306133091 MBNKAFNHVOGGEB-ZDUSSCGKSA-N 313.376 2.943 0 40 DFAB CC[C@H](C)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 521395117 LTHLDCJEYNFJJV-DCAQKATOSA-N 318.464 2.574 0 40 DFAB CCOC[C@H]1CN(C(=O)NCC(C)(C)C2=CCCCC2)CCO1 527869867 XETQRUDLGDIDDW-MRXNPFEDSA-N 324.465 2.960 0 40 DFAB O=C(CCCc1ccccc1)Nc1cccc(-n2cnnn2)c1 36360722 DNESYHWJAGAYHO-UHFFFAOYSA-N 307.357 2.624 0 40 DFAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1F 30288736 HSJZGLQFJDLVDE-UHFFFAOYSA-N 301.383 2.693 0 40 DFAB CCOc1ccc(C)cc1S(=O)(=O)n1ccnc1C(C)C 41095467 LKLRDPVIQISSNR-UHFFFAOYSA-N 308.403 2.951 0 40 DFAB Cc1noc([C@@H]2CN(C(=O)c3ccco3)C[C@@H]2c2ccccc2)n1 225806897 JEWTXBXFURSSQQ-HUUCEWRRSA-N 323.352 2.994 0 40 DFAB O=C(c1ccncc1O)N1CC[C@H](Oc2cccc(Cl)c2)C1 89892605 RQCVWBFHKONFET-ZDUSSCGKSA-N 318.760 2.734 0 40 DFAB CC(C)N(C[C@@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)c1nccn2ccnc12 195532334 VNULNQAIGJFCEF-KFWWJZLASA-N 310.401 2.792 0 40 DFAB O=C(Cc1ccccc1F)NCc1nccn1Cc1ccccc1 81001216 AJOXUMIYPLIJNZ-UHFFFAOYSA-N 323.371 2.929 0 40 DFAB Cc1nc([C@@H]2CCN(Cc3ncc(-c4ccccc4)o3)C2)n[nH]1 583679845 SXTFPUKEOWHRRW-CQSZACIVSA-N 309.373 2.758 0 40 DFAB Cc1nn(C(C)C)cc1C(=O)NCCc1nc2ccccc2[nH]1 583880364 VQXICEJWNBJCLL-UHFFFAOYSA-N 311.389 2.621 0 40 DFAB Cc1noc(C)c1C[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96492717 RPIVBVGZULTJTK-SMDDNHRTSA-N 323.437 2.821 0 40 DFAB CC[C@@H](C)c1cc(C(=O)OCC(=O)NC2CCCCC2)on1 96422357 SCBOMSVVVNLXHL-LLVKDONJSA-N 308.378 2.794 0 40 DFAB Cc1ccc(Nc2ncnc3c2CCN([C@@H]2CCOC2)CC3)cc1 96090953 JGDMZMDSXQAMJY-MRXNPFEDSA-N 324.428 2.718 0 40 DFAB Cc1ccc(C)c([C@H]2CN(CCN3CCOC3=O)[C@H](C)CO2)c1 96441489 UQVPUULDDZPVOV-NVXWUHKLSA-N 318.417 2.517 0 40 DFAB CC[C@@H](CSC)N(C)Cc1nc2ccccc2c(=O)n1C 96493131 CRZGXTDKEZLOIY-LBPRGKRZSA-N 305.447 2.507 0 40 DFAB CCc1cc(CNC(=O)NCc2csc(C(C)(C)C)n2)on1 96421501 KQQXKDHSFUMDCC-UHFFFAOYSA-N 322.434 2.990 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 97050070 UNTOURATTFKKJG-CQSZACIVSA-N 311.328 2.753 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(Br)=NO2 91302951 BJRAZLORYIHJQS-UHFFFAOYSA-N 319.199 2.885 0 40 DFAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)C2CCOCC2)CC1 96425783 DBKZCEFRLNVMBM-PREGVCBESA-N 309.450 2.999 0 40 DFAB CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 96455792 MOJOAXBDJRYJNE-QWRGUYRKSA-N 322.352 2.868 0 40 DFAB COCCN1CCC(c2nccnc2-c2cnc(C)s2)CC1 257253829 KAKPVMXQWGFKKJ-UHFFFAOYSA-N 318.446 2.734 0 40 DFAB COc1ccccc1[C@H]1CN(c2ccncc2)CCN1C(C)=O 257313272 URPODNFVDRCQOA-QGZVFWFLSA-N 311.385 2.500 0 40 DFAB C[C@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@H]1O 250077567 OSQMEDIKTBFXHM-MAUKXSAKSA-N 312.413 2.863 0 40 DFAB CCCc1nnsc1C(=O)N1CCCC[C@H]1c1[nH]ncc1C 257319712 VTTJTQWQQVJZQZ-LBPRGKRZSA-N 319.434 2.890 0 40 DFAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2ncccc2C)n1 257253368 JYPJLAXOWVXBMN-IBGZPJMESA-N 324.428 2.758 0 40 DFAB COCC[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1 585095048 BDPDYOHOOKVLDB-OAHLLOKOSA-N 313.401 2.500 0 40 DFAB COc1ccccc1CN(C)C(=O)CCc1c(C)noc1C 44998784 PFEVWZLXMONTKY-UHFFFAOYSA-N 302.374 2.891 0 40 DFAB O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccccc1F 51997020 JDCYLWYEJICBOX-JKSUJKDBSA-N 306.381 2.798 0 40 DFAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCC([C@@H](C)O)CC2)c1 75141880 TUPZCWCALWXNIC-OAHLLOKOSA-N 317.429 2.886 0 40 DFAB CC(C)NC(=O)C[C@@H](C)Nc1ncnc2cc(F)c(F)cc12 78422513 VSCLTCQBXZAOLL-SECBINFHSA-N 308.332 2.623 0 40 DFAB O=S(=O)(c1c(F)cccc1Br)C(F)(F)F 604221708 YROZTZWPZLTDGZ-UHFFFAOYSA-N 307.062 2.882 0 40 DFAB Cc1ccc(-c2nnc(Cn3cnc4ccccc4c3=O)o2)cc1 12462095 PRPVFQACAOQBND-UHFFFAOYSA-N 318.336 2.803 0 40 DFAB CCN(CC)CCCNCc1cc2c(C)cc(C)cc2[nH]c1=O 12706447 WPQONXIGRVBJIT-UHFFFAOYSA-N 315.461 2.966 0 40 DFAB CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2C)n1 13218161 NZCAOCDWFZOEIT-UHFFFAOYSA-N 303.753 2.695 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 19174015 HLHDTDGAEPFTQC-UHFFFAOYSA-N 301.317 2.917 0 40 DFAB CCN1CCC[C@H](CNC(=O)Cc2c(Cl)cccc2OC)C1 153048138 TVJHLDKTTJJAJG-CYBMUJFWSA-N 324.852 2.739 0 40 DFAB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCC(=O)O 6298097 ICLUXCXKYHVKFV-KPKJPENVSA-N 317.341 2.681 0 40 DFAB O=C(CCC(F)(F)F)N1CC[C@@](C(=O)O)(c2ccccc2)C1 565031998 MXLWCNLNJQKJPC-AWEZNQCLSA-N 315.291 2.584 0 40 DFAB O=C(N1N=CC[C@]1(O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 5494789 NYVSUEBHDSSJCD-YNECAHQASA-N 316.323 2.672 0 40 DFAB CNC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1 8874224 VPNAIXWBZVKJGN-UHFFFAOYSA-N 301.327 2.501 0 40 DFAB Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)no1 9204704 MAIRAKROAODIEM-UHFFFAOYSA-N 317.326 2.616 0 40 DFAB NC[C@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C1 50245601 OFLVQQIUIDXQSU-MRVPVSSYSA-N 317.614 2.523 0 40 DFAB O=C(CN1CCOCC1)Nc1ccccc1Oc1ccccc1 20421695 PRWPYEDSZGYRBO-UHFFFAOYSA-N 312.369 2.750 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)nn1C 40504809 AOJJIXXTBRQVRY-INIZCTEOSA-N 324.384 2.631 0 40 DFAB COc1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 52121872 AVWYYQDNCNSCLM-UHFFFAOYSA-N 306.387 2.783 0 40 DFAB Cc1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c(F)c1 32804233 HGKCFNHPBVVLLV-LDYMZIIASA-N 318.270 2.530 0 40 DFAB CC(=O)Nc1ccc(OCC(=O)N(C)Cc2cccs2)cc1 32910836 RKCVFPFJTIJQPW-UHFFFAOYSA-N 318.398 2.744 0 40 DFAB CC(=O)Nc1nonc1NC(=O)c1ccc(C(C)(C)C)cc1 540981 LHYWXVZLCXQNBV-UHFFFAOYSA-N 302.334 2.578 0 40 DFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)on2)cc1OC 42062918 PDECVBHBDXSTNM-AWEZNQCLSA-N 316.357 2.978 0 40 DFAB CC[C@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1 47471361 AXUPLPXUMMBGFD-ZDUSSCGKSA-N 301.390 2.523 0 40 DFAB COc1cc(C)c(NC(=O)NCCn2cccc2)cc1OC 84294987 JDMSSEUFNIYJSM-UHFFFAOYSA-N 303.362 2.635 0 40 DFAB C[S@](=O)CCNC(=O)N[C@H](c1cccs1)C(C)(C)C 73756454 QECFJJMNDFTIKB-NSPYISDASA-N 302.465 2.513 0 40 DFAB CC(C)=CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 24285440 XWGGYVJJAVPVNF-UHFFFAOYSA-N 300.402 2.508 0 40 DFAB C[C@H](C(=O)OCCCc1cccc2ccccc12)S(C)(=O)=O 77109968 BXLGXIVHQIMHCA-CYBMUJFWSA-N 320.410 2.749 0 40 DFAB O=C(NCc1ccccn1)c1cccc(Nc2ncccn2)c1 24491421 LWBCHFMBHMHZLX-UHFFFAOYSA-N 305.341 2.545 0 40 DFAB O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1Cc1ccc(F)cc1 1347602 ONCIICZUZCMSMD-KRWDZBQOSA-N 324.355 2.977 0 40 DFAB CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C(=O)OC)c1 79066085 WWGJFNKUHKIBJN-UONOGXRCSA-N 306.362 2.549 0 40 DFAB CCCC[C@H](S[C@](CC)(C(N)=O)c1ccccc1)C(N)=O 1752087 APFHIJURCREXLA-BBRMVZONSA-N 308.447 2.555 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1cccc(C)c1O 3458000 KRVQDFLFJRVVTG-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB c1ccc2c(c1)[nH]c1nnc(SCCN3CCCCC3)n12 9155402 MRAUNLUQFYVEML-UHFFFAOYSA-N 301.419 2.789 0 40 DFAB COc1ccc(NC(=O)COc2ccc(C=O)cc2)c(OC)c1 4201534 DVAYVUOCFNJSHF-UHFFFAOYSA-N 315.325 2.534 0 40 DFAB S=C(NCc1ccc2c(c1)OCO2)Nc1cccnc1Cl 6332641 PUPNJRUYKSVLAG-UHFFFAOYSA-N 321.789 2.950 0 40 DFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cn1 8513646 MDCYADNSTVEZDQ-GFCCVEGCSA-N 314.341 2.583 0 40 DFAB COCCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 8582994 DAUNRCNUMPOKNA-UHFFFAOYSA-N 317.780 2.836 0 40 DFAB CCOc1c(OC)cc(CN(C)C2CCC(N)CC2)cc1OC 97162660 NNAYISAZQLKITG-UHFFFAOYSA-N 322.449 2.804 0 40 DFAB CCS(=O)(=O)c1cccc(CC(=O)N2CC(C)(C)C2(C)C)c1 97141873 YCUXFRPNLJMBTQ-UHFFFAOYSA-N 323.458 2.670 0 40 DFAB C[C@H](OC[C@@H](O)CNc1ncnc2ncccc12)c1ccccc1 95434854 WYPIGWQIEOLQMW-ZFWWWQNUSA-N 324.384 2.575 0 40 DFAB O=C(CNc1cc(F)ccc1OC(F)F)NCC(F)(F)F 95414082 KVWJHMAPTCAIMZ-UHFFFAOYSA-N 316.201 2.518 0 40 DFAB c1ccc2c(c1)SCC[C@H]2NC[C@@H]1CNc2ccnn2C1 58356049 HGIFFDRONCECBY-TZMCWYRMSA-N 300.431 2.752 0 40 DFAB Cc1cc(C)c(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)c1 95446433 JBNYUDHFPQPZLF-KGLIPLIRSA-N 303.406 2.730 0 40 DFAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)C(C)C)CC2)c1 29444282 GPFXAUYCLGYEKD-QGZVFWFLSA-N 317.477 2.668 0 40 DFAB Cn1ncc2c(NCCc3cccc4cccnc34)ncnc21 29627292 ZIOHRAQDTOJMSV-UHFFFAOYSA-N 304.357 2.566 0 40 DFAB O=C(/C=C/c1cccs1)OCC(=O)N1CCc2ccccc21 3275725 URDQBLNRUORLJW-BQYQJAHWSA-N 313.378 2.894 0 40 DFAB Cc1cnn(CCc2nc3c4c5c(sc4ncn3n2)CCC5)c1 2786497 XPMLHOYGXIEYSO-UHFFFAOYSA-N 324.413 2.575 0 40 DFAB NS(=O)(=O)c1cnc(N[C@H]2CCCCc3ccccc32)s1 95938947 QFTRATNYECRJNN-LBPRGKRZSA-N 323.443 2.670 0 40 DFAB O=C(Nc1cccc(OCCN2CCCC2)c1)[C@@H]1CCCS1 95404236 FFFVFMCLKWJMIW-INIZCTEOSA-N 320.458 2.995 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 27791937 VGLNUWAZQFVROK-INIZCTEOSA-N 310.353 2.748 0 40 DFAB Cc1nn(C[C@H](O)c2cc(F)ccc2F)c(=O)c2ccccc12 48355479 VMADPDCMEUQJPY-INIZCTEOSA-N 316.307 2.717 0 40 DFAB CN1C(=O)c2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2C1=O 48311411 DUUPRXARBGBKBJ-JXMROGBWSA-N 324.311 2.703 0 40 DFAB CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 9114171 AROMFHDFZBYBQI-LLVKDONJSA-N 318.329 2.566 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2ccc3ncsc3c2)c1 13000936 GDTILFNBUTYIJF-UHFFFAOYSA-N 311.366 2.908 0 40 DFAB O=C(CCCc1ccccc1)Nc1ccc2nc[nH]c(=O)c2c1 63828793 PAMGGRRXEVHVPO-UHFFFAOYSA-N 307.353 2.885 0 40 DFAB biogenic Cc1ccc(-c2nnc3ccc(-n4nc(C)cc4C)nn23)cc1 13624161 TXRFAXVQMYTGSY-UHFFFAOYSA-N 304.357 2.902 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCCCCC1 6384162 SKXFMQFIFSOSSO-UHFFFAOYSA-N 314.385 2.656 0 40 DFAB CC1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 14095797 RNYUZHFTUUPVSF-AWEZNQCLSA-N 304.415 2.748 0 40 DFAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 65553868 HMUBEKZWLURLIW-UHFFFAOYSA-N 322.386 2.545 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 65592609 BUIQPZWKYRLARC-CQSZACIVSA-N 301.729 2.670 0 40 DFAB NC(=O)CCCCSc1nnc2c(Cl)cc(Cl)cn12 65547615 FLWDILXOSWJLRK-UHFFFAOYSA-N 319.217 2.784 0 40 DFAB C[C@H]1C[C@H]1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 110591352 SYOBOMBPOZRWFH-ZMSDIMECSA-N 316.445 2.659 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CC[C@H](CNc2ccccn2)C1 97200732 NUSLWGFFJYVQOW-CHWSQXEVSA-N 313.405 2.837 0 40 DFAB CCOC(=O)NC1CCC(OC(=O)c2c(C)noc2C)CC1 66542336 HQDRZRVHSCDCIF-UHFFFAOYSA-N 310.350 2.506 0 40 DFAB CC(C)(C)c1ncc(C(=O)O[C@@H](C(N)=O)c2ccccc2)s1 84325289 ALXZYLPZVHJILX-GFCCVEGCSA-N 318.398 2.824 0 40 DFAB Cn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cn1 72403450 SGVAOLGTBHDCRX-UHFFFAOYSA-N 315.764 2.726 0 40 DFAB CCn1c(=N)n(CC(=O)c2cccc(OC)c2)c2ccccc21 19831498 FPPMKJRFOVMLPS-UHFFFAOYSA-N 309.369 2.834 0 40 DFAB CCOc1ccc(NCc2nnc3n2N=C(C)CS3)cc1 19897521 SLQZBLOLQAXCCJ-UHFFFAOYSA-N 303.391 2.619 0 40 DFAB C[C@@H]1CCN(c2ccc(NC(=O)NC3CCC(O)CC3)cc2)C1 71880073 PWVKXBRZTKAQTJ-BZOOQXSSSA-N 317.433 2.958 0 40 DFAB O=C(NCCCc1cccc(Br)c1)[C@H]1CCCO1 71888913 QEUMQWLDHFYJDR-CYBMUJFWSA-N 312.207 2.677 0 40 DFAB COc1cccc(OC)c1OC1CCN(c2ncccn2)CC1 71811149 MOPXKILNZDEFAQ-UHFFFAOYSA-N 315.373 2.542 0 40 DFAB COc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 16115294 LKXRYSWPQDALOL-UHFFFAOYSA-N 319.744 2.709 0 40 DFAB O=C(Nc1nnc(CC2CCCCC2)s1)N1CCOCC1 71803427 SSGCZJVWBMFRDS-UHFFFAOYSA-N 310.423 2.525 0 40 DFAB CC(C)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 81497256 FCMMWDRTLQIKDN-FMKPAKJESA-N 305.422 2.629 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)Cc3ccccc3F)cc2NC1=O 8014758 IDVGJGLTOUBGJH-SNVBAGLBSA-N 314.316 2.726 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@@H]2O 118925871 AKRBLZKRYPEVIK-HSTZUDBKSA-N 304.430 2.850 0 40 DFAB Clc1ccccc1CCN1CCN(C[C@@H]2CCCO2)CC1 69347995 URQHYWLKXWCATA-INIZCTEOSA-N 308.853 2.679 0 40 DFAB Cc1ccccc1-n1c(C)nnc1S[C@@H]1C[C@@H](C)OC1=O 8428603 FOIZAZXEZSDNGO-ZWNOBZJWSA-N 303.387 2.680 0 40 DFAB CC(C)c1nc(CN2CCN(C[C@@H]3CCCO3)CC2)cs1 69561122 MBCITJZSLZYJEL-HNNXBMFYSA-N 309.479 2.563 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 69518791 AYMWVAASKPJQSO-ZDUSSCGKSA-N 324.421 2.564 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1F 69620838 ACRAXEXWXRWHQO-DLBZAZTESA-N 320.408 2.680 0 40 DFAB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 8747545 DRECVCURAFKMGX-WBMJQRKESA-N 313.401 2.622 0 40 DFAB C[C@H](CS(C)(=O)=O)Nc1ccc(F)cc1OC1CCCC1 97038433 FPEKIENEEYGPEV-LLVKDONJSA-N 315.410 2.992 0 40 DFAB CC(C)C(=O)NCc1nnc(-c2cccc(Br)c2)o1 72275065 UINKHQVMNKOLMS-UHFFFAOYSA-N 324.178 2.771 0 40 DFAB O=C(NCCCc1cccs1)N[C@H]1CCO[C@@H](C2CC2)C1 95943358 YDQBQDMZIITINZ-DZGCQCFKSA-N 308.447 2.938 0 40 DFAB C[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1 74626833 YEWJXCMZLHDZAY-LSDHHAIUSA-N 323.506 2.910 0 40 DFAB C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCOC1 89904170 IZXCQGWIGNHZRQ-CMPLNLGQSA-N 312.207 2.533 0 40 DFAB Cc1cccc(C(=O)N2CCN(Cc3nc(C)cs3)CC2)c1 21687135 RXAUDCKEZYOEKH-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(CO)n1 549713230 NQTWQYCAAALCBV-INIZCTEOSA-N 316.426 2.761 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1nnc(C2CC2)s1 43359523 PMIUNBAQHMURMQ-NSHDSACASA-N 316.386 2.541 0 40 DFAB Cc1csc(CN2CCOC[C@@H]2CC(=O)c2cccs2)n1 189219080 HXHNCWCNAZUKRE-LBPRGKRZSA-N 322.455 2.987 0 40 DFAB C[C@@H]1Cc2cc(C(=O)NCc3cnn4ccccc34)ccc2O1 72144389 JEMORNAGQVHPHC-GFCCVEGCSA-N 307.353 2.588 0 40 DFAB CCOc1cc(S(=O)(=O)Nc2ccncc2)c(C)cc1C 72414388 QLORBSLMXAPXJQ-UHFFFAOYSA-N 306.387 2.898 0 40 DFAB O=C(NCCc1ccccn1)c1ccc(Nc2ncccn2)cc1 79483027 GRBCWJUJSWHYAF-UHFFFAOYSA-N 319.368 2.588 0 40 DFAB CCc1cc(NCCCCO)n2nc3nc(C)cc(C)c3c2n1 72347828 DTJRHVLRPKKOBE-UHFFFAOYSA-N 313.405 2.641 0 40 DFAB Cc1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1 42645929 GJXFPXKFINZXTG-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2)CC1 226258434 XJEFANHQGDVODK-UHFFFAOYSA-N 324.428 2.663 0 40 DFAB O=C(CC1CC1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96106493 YMZGZGKYRSQCKQ-KRWDZBQOSA-N 321.461 2.858 0 40 DFAB Cc1ccc(CN(C(=O)CS(=O)(=O)C(C)C)C2CC2)cc1C 96418918 IOVLJZMCSACSAS-UHFFFAOYSA-N 323.458 2.618 0 40 DFAB C[C@H](Oc1ccccc1)[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O 95438106 BNHXGSCBAXQZKF-AESZEHBQSA-N 320.433 2.645 0 40 DFAB Cc1nc(-c2ccccc2)nc2c1CCN(c1cnccn1)CC2 96254556 NTQJRNQIPIUDCB-UHFFFAOYSA-N 317.396 2.847 0 40 DFAB CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 96409493 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0 40 DFAB c1c[nH]c(-c2cnc([C@@H]3CCCN3Cc3cscn3)cn2)n1 257334804 YHLDKRUWNXOVDF-AWEZNQCLSA-N 312.402 2.660 0 40 DFAB CCn1nccc1-c1cccc(CC2CCN(C(C)=O)CC2)n1 257261781 LIUPCBKCAGTSPG-UHFFFAOYSA-N 312.417 2.766 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](O)[C@H]2N 253504071 CPNKFWQTLWHDPO-NGWHVPJMSA-N 305.462 2.608 0 40 DFAB biogenic,in-vitro COc1ncc(NC(=O)Nc2ccccc2Cl)c(OC)n1 96098724 KIXFDEGWFUYCMR-UHFFFAOYSA-N 308.725 2.791 0 40 DFAB CO[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1C 96104959 IADSBXXMRJCKGO-KRWDZBQOSA-N 313.353 2.841 0 40 DFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)Oc2ccccc2F)c1 32718976 NDWKZIWGGUBORV-UHFFFAOYSA-N 323.345 2.860 0 40 DFAB CCN(CC)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 72341805 NOBJGCXCTFFTSZ-UHFFFAOYSA-N 316.401 2.948 0 40 DFAB Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C2CC2)c(C)s1 73736622 MNDNBEDDCAIPEG-ABAIWWIYSA-N 320.458 2.943 0 40 DFAB C[C@]1(CO)CCCN(Cc2c(C3CC3)nc3sccn23)C1 95986724 CAPIWIPPFKHMAY-INIZCTEOSA-N 305.447 2.868 0 40 DFAB CCc1ncnc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1F 556757662 CJDFXKHNWBPHLU-KBPBESRZSA-N 312.392 2.751 0 40 DFAB COc1cccc(N2C[C@H](NC(=O)c3ccccc3C)CC2=O)c1 5194708 XWZCLHSQYPTUNO-CQSZACIVSA-N 324.380 2.539 0 40 DFAB CCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 12526413 GGDVRJFHHKWSRO-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB Cc1nc2ncn(-c3ccccc3)c2c(=O)n1Cc1ccccc1 13207732 IHUIBZRSQQIDMU-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB O=C(C1CCCCC1)N1CC[C@H]1c1nc(-c2cccnc2)no1 19341019 OGOIUEOMNNCCTD-AWEZNQCLSA-N 312.373 2.985 0 40 DFAB CC1(C)C[C@@H]1C(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888843069 AVFJNMAJFQMMRC-GXTWGEPZSA-N 315.417 2.627 0 40 DFAB CCc1cc2c(N3CC(Cn4ccnc4C)C3)ncnc2s1 1889139267 AETXYKCCFKMDHK-UHFFFAOYSA-N 313.430 2.895 0 40 DFAB Cc1cc(N2CCC(NC(=O)C3(c4ccccc4)CC3)CC2)n[nH]1 225752461 JOQKEKOSLUOEEA-UHFFFAOYSA-N 324.428 2.535 0 40 DFAB O=C(c1ccc(F)cc1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100641398 WNAWNHNQFKZKPV-FRFSOERESA-N 302.393 2.772 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 40553223 DPBIBEFARONRTN-QWRGUYRKSA-N 304.419 2.662 0 40 DFAB O=C(Cn1ncc2ccccc2c1=O)OC/C=C/c1ccccc1 40555414 TWJIJZICXXXZIO-RMKNXTFCSA-N 320.348 2.653 0 40 DFAB CC(C)c1nnc(NC(=O)CSc2ncccc2Cl)o1 32922469 ZUMLJQHGRPRMMP-UHFFFAOYSA-N 312.782 2.972 0 40 DFAB c1ccc2c(c1)nc(NCc1ccc3c(c1)OCO3)n1cnnc21 21880921 ROMLYZQADVZLEN-UHFFFAOYSA-N 319.324 2.618 0 40 DFAB COc1ccc(-n2nnnc2-c2c[nH]c3ccc(F)cc23)cc1 119478 IWVSFZWNUGITCA-UHFFFAOYSA-N 309.304 2.958 0 40 DFAB COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 260285 BANLFSBPRKCYKQ-UHFFFAOYSA-N 324.380 2.752 0 40 DFAB biogenic C[C@@](CO)(NC(=O)Nc1cc(-c2ccccc2)on1)C1CC1 84640191 IWXBSQBAMZSEIB-INIZCTEOSA-N 301.346 2.624 0 40 DFAB O=C1CCC(=O)[C@@H](C(=O)CCC(=O)Nc2cccc(Cl)c2)C1 408392 JGZLIPPRQKQJBW-ZDUSSCGKSA-N 321.760 2.566 0 40 DFAB O=C(NCc1ccccn1)N1CCC(Oc2ccccc2)CC1 55090352 VYLPGJHYEPHOPY-UHFFFAOYSA-N 311.385 2.835 0 40 DFAB CCC(=O)N1CC[C@@H](NCc2cccc3cccnc23)[C@H](C)C1 78897281 LNTYINJMMKFWOB-RHSMWYFYSA-N 311.429 2.971 0 40 DFAB COc1cc(NC[C@H](O)CN2CCCCC2)c2ncccc2c1 1656107 MPJBRAIWKHUROA-HNNXBMFYSA-N 315.417 2.502 0 40 DFAB COc1cc(C(=O)CCN2CCCCC2)cc(OC)c1OC 1666183 JZUVCFZZNLXANA-UHFFFAOYSA-N 307.390 2.771 0 40 DFAB NC(=O)c1ccc(Cl)cc1NCc1noc(-c2ccoc2)n1 79065892 RGWNCNAJJWCIGT-UHFFFAOYSA-N 318.720 2.694 0 40 DFAB Cc1ccnc2nc(C(=O)NCC3CCCCCCC3)nn12 79179467 UEEVVQIFYNZUNI-UHFFFAOYSA-N 301.394 2.523 0 40 DFAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2N1 55546502 WJNZDGDTLYUOMR-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB COc1cc(CNC[C@H](C)O)ccc1OCCc1ccccc1 7540077 OSYHTNRIWNJNRR-HNNXBMFYSA-N 315.413 2.787 0 40 DFAB C[C@@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)n1cncn1 95987129 SBJRZSOSPBJLQB-GXFFZTMASA-N 320.780 2.523 0 40 DFAB C[C@H](NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 58122955 QMEGOSUAIRSHMM-KRWDZBQOSA-N 323.440 2.686 0 40 DFAB O=C(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CC1 58290855 IHBUFZIHUPABCN-UHFFFAOYSA-N 311.389 2.600 0 40 DFAB CCC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C 20151255 BYEORONNWWYPTM-UHFFFAOYSA-N 318.398 2.970 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCCCCC1 58341259 VJQOQUVWNKPZHN-UHFFFAOYSA-N 303.284 2.802 0 40 DFAB N=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccccc1 58307591 MKPPLCYCXSTTJM-UHFFFAOYSA-N 316.449 2.658 0 40 DFAB Cc1csc(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)n1 58393443 CACMAQXOWKDCPQ-CQSZACIVSA-N 317.414 2.933 0 40 DFAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 26019632 RWBWBEBHECHKSX-GOSISDBHSA-N 322.408 2.660 0 40 DFAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 2488838 NUYAYOKUCWABRV-AWEZNQCLSA-N 317.389 2.729 0 40 DFAB Cc1cc2occ(CC(=O)NCCNc3cnccn3)c2cc1C 46406572 AIYCULUALSYZFZ-UHFFFAOYSA-N 324.384 2.610 0 40 DFAB O=C(O)[C@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 37410412 LDENKECKMXPRRI-FZKGZDJFSA-N 324.174 2.538 0 40 DFAB O=C(COC(=O)c1cccs1)NCc1ccc(Cl)cc1 3237600 MJWZLQNAQKJCEV-UHFFFAOYSA-N 309.774 2.875 0 40 DFAB CC(C)[C@H](Sc1nc2ccccc2s1)C(=O)NC(N)=O 3445237 HZCSZOQNMFLZCW-JTQLQIEISA-N 309.416 2.608 0 40 DFAB Cn1cncc1Cc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 95466455 XFBFVXLBPSBTRB-UHFFFAOYSA-N 316.364 2.914 0 40 DFAB COCCOCCSc1nnc(Cc2ccccc2F)o1 95409082 UEQOLRGPFVAUAR-UHFFFAOYSA-N 312.366 2.555 0 40 DFAB Cc1cc2sc(NC(=O)N3CC[C@@H]([C@H](C)O)C3)nc2s1 96010595 OCLLSNFPBFCQOC-DTWKUNHWSA-N 311.432 2.901 0 40 DFAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)CC(C)C)cc2c1 3984938 VMAFVAOFKBJQFV-UHFFFAOYSA-N 302.374 2.541 0 40 DFAB biogenic COc1cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)ccc1C 9242615 CEODUUXFBIGCDA-GHXNOFRVSA-N 305.359 2.648 0 40 DFAB CC(C)n1cnnc1SCC(=O)N(C)Cc1cccs1 39565372 GKYPGVITVLTBDY-UHFFFAOYSA-N 310.448 2.671 0 40 DFAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccco2)on1 65458992 CSZPVVSVAAAJSY-STQMWFEESA-N 303.362 2.590 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccco1)c1ccccc1Cl 14120606 AJTHGDXCBWEEOZ-LBPRGKRZSA-N 307.733 2.967 0 40 DFAB CCCCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 5459806 YPZZHRLSDLGBAL-UHFFFAOYSA-N 307.346 2.779 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 9365268 FFBSYEPNHXYZJE-UHFFFAOYSA-N 312.369 2.790 0 40 DFAB CC(=O)c1csc(N2CCN(Cc3ccccc3)CC2)n1 71656543 YXZGGZDPCSRHGT-UHFFFAOYSA-N 301.415 2.668 0 40 DFAB CC(=O)Nc1ccc2c(COC(=O)C=C(C)C)cc(=O)oc2c1 15187026 QMMAAYJQSGRGNZ-UHFFFAOYSA-N 315.325 2.761 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCO)C1CC1 80178960 ILDAHTREVVVTAS-BDJLRTHQSA-N 306.381 2.615 0 40 DFAB Cc1ccccc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2 7639143 WGHFVYOQSJVWSO-UHFFFAOYSA-N 312.369 2.794 0 40 DFAB O=C(Cn1nnc2ccccc2c1=O)c1ccc2ccccc2c1 8040499 OLBMVHDDTQQALN-UHFFFAOYSA-N 315.332 2.828 0 40 DFAB O=C(CSc1nncs1)Nc1ccc(N2CCCC2)cc1 16865778 VEMJROGALOQBHT-UHFFFAOYSA-N 320.443 2.869 0 40 DFAB CCNC(=O)CN(CC)Cc1cc(-c2ccc(C)cc2)no1 69386019 FQXBXQCUTTZFIZ-UHFFFAOYSA-N 301.390 2.608 0 40 DFAB C[C@H](CC(=O)Nc1nc(CC(N)=O)cs1)C1CCCCC1 69440344 ICIZVCYHAQBGKS-SNVBAGLBSA-N 309.435 2.716 0 40 DFAB C[C@H]1CCOCCN1C(=O)NCCCCOc1ccc(F)cc1 91597335 AQOKCDCRGPMMIF-AWEZNQCLSA-N 324.396 2.805 0 40 DFAB Cc1ccc2nc(-c3cc(OCC(F)F)ccn3)[nH]c(=O)c2c1 91516599 YZCYDDNXCJGLEH-UHFFFAOYSA-N 317.295 2.937 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1(C)CCOCC1 71870359 WZBYOPRYBAOZBE-AWEZNQCLSA-N 305.422 2.517 0 40 DFAB Cc1nc(C(C)(C)C)nc(N2CCC[C@@H](n3cncn3)C2)c1C 69697572 UICJAZKJNKQASK-CQSZACIVSA-N 314.437 2.824 0 40 DFAB COC(=O)C[C@H](C)NC(=O)CCCOc1ccccc1Cl 69816826 LRIWLWZCIQCICM-NSHDSACASA-N 313.781 2.567 0 40 DFAB CCc1n[nH]c([C@@H]2CN([C@@H](C)c3ccccc3F)CCO2)n1 83830071 CRAGUMZLVORVDV-FZMZJTMJSA-N 304.369 2.641 0 40 DFAB CCCc1nc(CN2CCC[C@@H](Cn3cncn3)C2)cs1 69979523 SLMDDOBHTWKKCD-CYBMUJFWSA-N 305.451 2.599 0 40 DFAB c1ccc(-n2nnnc2Sc2ncnc3ccsc23)cc1 8727358 UMBIAMYGVHWEPE-UHFFFAOYSA-N 312.383 2.818 0 40 DFAB Cc1n[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1 9030273 TUCJKPVLLYAYSO-UHFFFAOYSA-N 300.746 2.636 0 40 DFAB CNC(=O)[C@H](Cc1ccccc1)Sc1nnc(C(C)(C)C)o1 97085481 RUBVETYZAIPPAI-LBPRGKRZSA-N 319.430 2.817 0 40 DFAB Cc1cc(N)c(Br)cc1I 98180669 NLFCVECFBCUAFD-UHFFFAOYSA-N 311.948 2.944 0 40 DFAB CC(C)c1noc(CN2CCC[C@@H]2c2noc(C3CC3)n2)n1 72300087 OQUXBZLIKJYXNK-LLVKDONJSA-N 303.366 2.791 0 40 DFAB COC(=O)N1CC[C@H](N[C@@H](C)c2cc3cccc(OC)c3o2)C1 95988074 PCNPBLYRKJDZAU-AAEUAGOBSA-N 318.373 2.933 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 97378771 XDTONZQBWRRHPD-PBHICJAKSA-N 303.406 2.857 0 40 DFAB Cc1ccc(C)n1-c1sccc1C(=O)NC[C@H](C)[S@@](C)=O 95973813 KHONEKQGMBGUGD-QKVFXAPYSA-N 324.471 2.652 0 40 DFAB C[C@H]1C[C@@H](NC(=O)c2cccc3c2OCC(=O)N3)c2ccccc21 95350989 KNSWAVYZKUBBJN-MEDUHNTESA-N 322.364 2.996 0 40 DFAB Cc1cn2c(CN(C)C(=O)C3=COCCC3)c(C)nc2s1 89742234 QEQJVXIDZXZZDY-UHFFFAOYSA-N 305.403 2.665 0 40 DFAB O=C(N[C@@H]1CCCc2occc21)N1CCC[C@H]1CN1CCCC1 89885105 OQTCXXRFMPIYKU-GOEBONIOSA-N 317.433 2.927 0 40 DFAB CC1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 89919333 OVVOLOBNKMXHJB-HNNXBMFYSA-N 306.450 2.674 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 408718791 KAKLRUSPUOWREX-CRJCFHLZSA-N 303.745 2.563 0 40 DFAB O=C(N1CCCCC1)N1CCN(c2nc3ccccc3o2)CC1 25454402 PCVRKJHOLRQRKW-UHFFFAOYSA-N 314.389 2.556 0 40 DFAB CCn1nc(-c2nnc([C@@H]3CC3(C)C)o2)c2ccccc2c1=O 521393847 VAKYAUXEQZUBGW-LBPRGKRZSA-N 310.357 2.980 0 40 DFAB Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 71946452 UZNJKNHWZDPNSZ-UHFFFAOYSA-N 308.716 2.956 0 40 DFAB O=C(C1CCCC1)N1C[C@@H]2CCCCN(C3CCOCC3)[C@@H]2C1 72330636 YDWQQFJGHJUMFQ-FUHWJXTLSA-N 320.477 2.669 0 40 DFAB COc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 33145343 WNWJOJITSBVWPB-MRXNPFEDSA-N 314.316 2.966 0 40 DFAB CSCC[C@@](C)(O)CNC(=O)c1nc2ccccc2s1 75157461 HSKHEMHJDFRTEG-CQSZACIVSA-N 310.444 2.530 0 40 DFAB O=C(CCc1cncc(F)c1)Nc1ccnn1-c1ccccc1 181472901 MEKMFUVCAHXESC-UHFFFAOYSA-N 310.332 2.978 0 40 DFAB CN(C)c1cnc(C(=O)Nc2nc3c(s2)CCCCC3)cn1 543719512 AEAWUKXLVCGULM-UHFFFAOYSA-N 317.418 2.520 0 40 DFAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCN(C)C3)cc2F)n1 568422690 DQZXTBIKJZWDOK-ZDUSSCGKSA-N 316.380 2.518 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCOC[C@@H]1CC1CCC1 558074008 NXKVRGJKNHHNQY-ABAIWWIYSA-N 305.422 2.548 0 40 DFAB CCCN(C[C@@H]1CCCCO1)C(=O)N[C@@H](C)c1cn(C)nc1C 78611367 VZFDHGAKBJVZDE-ZFWWWQNUSA-N 322.453 2.780 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ncc(F)cn1 72203271 XPJSMXTWFSOAQR-GFCCVEGCSA-N 310.373 2.817 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1C 238881860 PKNMHISVSPKTSP-OWCLPIDISA-N 304.390 2.761 0 40 DFAB Cc1cc(NC(=S)NCc2ccccc2)cc(C(=O)O)c1O 216928011 LQBPKVCZQIXWMI-UHFFFAOYSA-N 316.382 2.885 0 40 DFAB CO[C@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)c1ccccc1 77634863 UYZDYIJTQBIURD-ZBFHGGJFSA-N 321.323 2.502 0 40 DFAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 42645458 JFGJQRXVABGTTF-DHZHZOJOSA-N 321.380 2.837 0 40 DFAB COc1cccc(CCNC(=O)[C@@H]2COc3ccccc3C2)c1 48345110 YNNPWNVPJYBFNE-INIZCTEOSA-N 311.381 2.605 0 40 DFAB Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646229 YRUVNVQGCIAPMY-ZDUSSCGKSA-N 314.360 2.993 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344679 XXEKOCGISQRQDW-HZPDHXFCSA-N 309.365 2.878 0 40 DFAB Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)n1 41121791 SMNHIDAPVGDJEO-HOTGVXAUSA-N 311.385 2.888 0 40 DFAB Cn1cccc1CCNC(=O)c1ccc2nc(Cl)n(C)c2c1 222564889 ZYNRRYYXCVUCIM-UHFFFAOYSA-N 316.792 2.538 0 40 DFAB Fc1cnc(OC2CCN(CCc3ccccc3)CC2)nc1 1201610003 MLSPEQHVIGRALU-UHFFFAOYSA-N 301.365 2.702 0 40 DFAB CCc1noc(CC)c1CC(=O)Nc1[nH]nc(C2CC2)c1C 87280881 ACXPIPKDUXBCGS-UHFFFAOYSA-N 302.378 2.890 0 40 DFAB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C1 226755067 ZACLJXKWRADWBE-CHWSQXEVSA-N 301.390 2.599 0 40 DFAB Cc1ccc([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1 45174556 XJZSHJNZGSKVLV-AWEZNQCLSA-N 321.380 2.582 0 40 DFAB CCCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398286 YSPGOZMUGZIAOC-UHFFFAOYSA-N 323.331 2.655 0 40 DFAB O=C1c2cnc(N3CCCC3)nc2CN1c1ccc2c(c1)CCC2 41123067 MADHKPQEKWEXBD-UHFFFAOYSA-N 320.396 2.726 0 40 DFAB C[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)n1ccnc1 81740331 XZGDKSFVUBGURK-LBPRGKRZSA-N 309.329 2.665 0 40 DFAB CC(C)N1CCC(C(=O)Nc2cc(-c3ccncc3)n[nH]2)CC1 191954389 RWUBCGJVLDLTIE-UHFFFAOYSA-N 313.405 2.531 0 40 DFAB C[C@H](NC(=O)Nc1ccc(Br)c(F)c1)[C@@H](C)CO 96435441 YAFFAPPYEVUKIP-YUMQZZPRSA-N 319.174 2.727 0 40 DFAB Cc1nn(C)c(C)c1CNC[C@@H](O)c1ccc(Cl)c(F)c1 96485928 UJAWYZXALQJNTF-OAHLLOKOSA-N 311.788 2.653 0 40 DFAB NC(=O)N1CCC[C@H]1COC(=O)c1ccc(Cl)cc1Cl 96442215 KBYOUZWYSUBVAC-VIFPVBQESA-N 317.172 2.693 0 40 DFAB COc1ccccc1/C=C/CN1CCN(Cc2ccon2)CC1 93561018 AELBRARKHDBATL-GQCTYLIASA-N 313.401 2.514 0 40 DFAB CO[C@](C)(CNC(=O)c1cnoc1C)c1cccc(Cl)c1 96392719 YTSGCXJUKSTMHI-OAHLLOKOSA-N 308.765 2.928 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNC(=O)c1cc2ccccc2[nH]1 96450721 FQVZKTQIIUGYRQ-ZBFHGGJFSA-N 304.415 2.544 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@H](C)O)c1 230196889 VNXYUAVKJARZHT-JYJNAYRXSA-N 320.433 2.546 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc[nH]n1 583650518 XDDWFTZNVGRHJF-LLVKDONJSA-N 307.419 2.747 0 40 DFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2cc(C)no2)cc1 583615650 WUFWPSIGBASKES-ZWKOTPCHSA-N 316.401 2.864 0 40 DFAB O=C(Cc1noc([C@H]2C[C@H]3CC[C@@H]2C3)n1)NCc1ccccc1 96405221 DDXLKSBIONZPAW-ZNMIVQPWSA-N 311.385 2.832 0 40 DFAB CCNc1ccnc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 91351773 AJKXOFOYMMQYGU-GFCCVEGCSA-N 322.409 2.687 0 40 DFAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)c2ccccn2)n1 257327367 XBBSWJSCGOXVLV-INIZCTEOSA-N 321.384 2.800 0 40 DFAB CCc1nccn1CCC(=O)N1CCCC[C@H]1c1[nH]ncc1C 257335792 YLXOGWVOWRSNKE-AWEZNQCLSA-N 315.421 2.621 0 40 DFAB Cc1cn(C)c([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257335719 YLNQZINDYOFVNU-HNNXBMFYSA-N 323.444 2.995 0 40 DFAB CCN1CC[C@]2(CCCN(C(=O)c3ccsc3)CC2)C1=O 585102577 ZYPPPZAVASHEHL-INIZCTEOSA-N 306.431 2.613 0 40 DFAB Cn1cnnc1SC[C@@H](O)c1ccccc1C(F)(F)F 60522645 JSLNRULBGYDDQA-SNVBAGLBSA-N 303.309 2.660 0 40 DFAB Cc1ccc(NC(=O)N2CC[C@@H](O)C2)c(OCC(F)(F)F)c1 88374460 YYQMAUWNMIRYQQ-SNVBAGLBSA-N 318.295 2.535 0 40 DFAB C[C@@H](Cc1ccccc1Br)NC(=O)c1ccon1 89904208 WVWQRRUJKQRPJK-VIFPVBQESA-N 309.163 2.798 0 40 DFAB COc1ccc([C@@H]2Nc3ccccc3C3=NCCCN32)cc1O 12144186 RQUYFQSHSLRYRS-QGZVFWFLSA-N 309.369 2.977 0 40 DFAB CC(=O)c1cn(CCC(=O)N[C@H]2CCCOC2)c2ccccc12 12148337 DVTAWKXWPRZHEN-AWEZNQCLSA-N 314.385 2.529 0 40 DFAB CC(C)=CC/C=C1/CC[C@H](C(=O)O)[C@@H](C(=O)OCCN(C)C)C1 12656051 MLVLRGDKFVUVPM-BKZJWICZSA-N 323.433 2.875 0 40 DFAB biogenic Cc1ccc(-c2nnc(CNC(=O)c3csc(C)c3)o2)cn1 19215305 WIIOQWXYVOBDIP-UHFFFAOYSA-N 314.370 2.740 0 40 DFAB O=C1CC[C@@H](NCc2ccoc2)[C@H](c2cc(F)cc(F)c2)N1 19406241 ICTMEADOZQWXPO-ZBFHGGJFSA-N 306.312 2.667 0 40 DFAB C[C@@H](Cc1ccccn1)NC(=O)Cc1ccc2c(c1)CCCO2 19457058 CBPUWQUIYYSGNX-AWEZNQCLSA-N 310.397 2.697 0 40 DFAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC2CC2)n1C 5209905 YLOIXOFSSAWIOK-LLVKDONJSA-N 316.430 2.550 0 40 DFAB CC[C@H](C)[C@H](NC(=O)COC)c1nc2cccnc2n1C(C)C 12221194 NLRBKCTYZRZOLI-WFASDCNBSA-N 318.421 2.862 0 40 DFAB Cc1cnc(Nc2ncc(F)c(C[C@@H]3CCCNC3)n2)s1 2037838696 WPICMJANPLUWLZ-JTQLQIEISA-N 307.398 2.666 0 40 DFAB O=S(=O)(CCCOc1ccc(F)cc1)NCc1ccccc1 12440791 LOLLNSOPEQWLHV-UHFFFAOYSA-N 323.389 2.714 0 40 DFAB CC(C)c1nccn1CC1CN(C(=O)NC2CCCCC2)C1 1889758094 WZYCUXHOIMKJLK-UHFFFAOYSA-N 304.438 2.981 0 40 DFAB Fc1ccccc1N1CCN(Cn2cnc3ccccc32)CC1 12360486 DIYGKEYLBCIHRK-UHFFFAOYSA-N 310.376 2.955 0 40 DFAB NC(=O)c1ccccc1NCc1cc(Cl)c2c(c1)OCCO2 40007916 DIILTBLYJOTNKY-UHFFFAOYSA-N 318.760 2.822 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(-c3ccc(C)s3)[nH]n2)CCO1 30596786 HONKOPJPFNEWML-NSHDSACASA-N 305.403 2.698 0 40 DFAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 50736151 RSCMXRHXYROOIK-GOEBONIOSA-N 302.418 2.844 0 40 DFAB Cc1nc(-c2cccnc2)sc1C(=O)N1C[C@H](C)O[C@H](C)C1 31864696 NXOFJHSARIGYCU-PHIMTYICSA-N 317.414 2.763 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CC=CCC3)cn2)n1 40553627 LXJYWYXBJZDXDT-INIZCTEOSA-N 310.401 2.857 0 40 DFAB O=C(O)c1ccc2c(c1)CCCN2C(=O)OCC(F)(F)F 40503387 RBVQFSAWVWMCGR-UHFFFAOYSA-N 303.236 2.836 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc2ncccc12 102048043 UIFCFMBQXBIEAS-QMMBQJITSA-N 308.337 2.696 0 40 DFAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 32739357 WENZYPPCHIZSAF-UHFFFAOYSA-N 324.380 2.907 0 40 DFAB Cc1c(C(=O)NC(C)C)sc2ncc(C(=O)NC(C)C)cc12 32912137 KUBWAOXFJMFWDJ-UHFFFAOYSA-N 319.430 2.881 0 40 DFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OC1CCCCC1)C2=O 22560988 UELNZEZKDPEKLN-LBPRGKRZSA-N 315.369 2.855 0 40 DFAB COc1ccccc1CCC(=O)NC[C@@H](c1ccco1)N(C)C 22678757 PBZFBSQUYBTGOO-HNNXBMFYSA-N 316.401 2.640 0 40 DFAB Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1Cc1ccco1 47665622 XMEPXMYQFFPOEH-ZDUSSCGKSA-N 302.374 2.607 0 40 DFAB O=S(=O)(Nc1cccnc1N1CCCC1)c1cccc(F)c1 78556728 REAIFCKCGCXWLA-UHFFFAOYSA-N 321.377 2.622 0 40 DFAB O=C(Nc1ccc(F)cc1)c1c(O)n2c3c(cccc3c1=O)CC2 1240422 LPQFWNAAZCHWNT-UHFFFAOYSA-N 324.311 2.655 0 40 DFAB CC(C)(C)c1cc(-c2cc(C(C)(C)C)nc(N)n2)nc(N)n1 1588366 FJLRATAHPLAVMA-UHFFFAOYSA-N 300.410 2.693 0 40 DFAB COc1ccc2c(ccn2CCNC(=O)c2c(C)noc2C)c1 79484623 IBSKGUIGNTZVLG-UHFFFAOYSA-N 313.357 2.685 0 40 DFAB CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(C)cc1 2554741 CEAXAVNUCHICOC-UHFFFAOYSA-N 315.369 2.904 0 40 DFAB O=C(c1cc2ccccc2s1)N1CCC2(CC1)OCCO2 24996263 UAAXVTNSFPMYTI-UHFFFAOYSA-N 303.383 2.880 0 40 DFAB COC(=O)Nc1cn(Cc2cccnc2)c(=O)c2ccccc12 1395595 NGDSIYLXCFGNEK-UHFFFAOYSA-N 309.325 2.623 0 40 DFAB C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccc(F)c(F)c1 25147001 WVLDYBYVQFQJSK-NSHDSACASA-N 318.389 2.736 0 40 DFAB Cc1ccnc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 12517414 KKTWXPWSXFGQKD-UHFFFAOYSA-N 311.263 2.978 0 40 DFAB COc1cccc(OC)c1OC[C@@H](O)CN(C)C1CCCCC1 6001472 HXXBTMYMILNHMO-HNNXBMFYSA-N 323.433 2.708 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)cc1C(N)=O 58167412 MAFAEYAUBGMJAQ-GXFFZTMASA-N 323.824 2.546 0 40 DFAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1=NN(C)C(=O)CC1 44042808 XWXMATSZRXBRAJ-LLVKDONJSA-N 313.357 2.560 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ncc(Cl)cn1 95087651 DQYOPPKKYUYSAI-LLVKDONJSA-N 312.801 2.624 0 40 DFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)C[C@@H]1C(=O)Nc2ccccc21 104155424 FJWZSZSPICWEDJ-GJZGRUSLSA-N 320.348 2.808 0 40 DFAB O=C(Nc1cccnc1)N1CCCN(Cc2ccccc2)CC1 44890943 DOTAUCHUCBDFGH-UHFFFAOYSA-N 310.401 2.821 0 40 DFAB COc1ccc(CC(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1 58323692 MLYSXUBYLAABMX-UHFFFAOYSA-N 322.368 2.970 0 40 DFAB O=C(c1cnc(NC[C@@H]2CCCO2)c(Cl)c1)N1CCCCC1 58430626 CQWLPBIUBWPRRX-ZDUSSCGKSA-N 323.824 2.952 0 40 DFAB 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CPCDDDIYPKDQPM-LLVKDONJSA-N 310.329 2.523 0 40 DFAB CN1CCN(C(=O)c2ccc(-c3nc4ccccc4o3)cc2)CC1 59842900 YRDCXQQFVMJDHV-UHFFFAOYSA-N 321.380 2.882 0 40 DFAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 2648650 OYSHSLSWTQJSGX-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB CCCn1nc(C(=O)NC(CC)CC)c2ccccc2c1=O 2658028 VWYLJKMFKMHDLJ-UHFFFAOYSA-N 301.390 2.725 0 40 DFAB O=C(CCc1ccccc1O)Nc1ccc(-n2ccnc2)nc1 37171360 JOQMJSQKWVMJER-UHFFFAOYSA-N 308.341 2.544 0 40 DFAB O=C(CCC(=O)c1cccs1)OCC(=O)N1CCCCCC1 3254591 CYLUYFDBQBLBLU-UHFFFAOYSA-N 323.414 2.657 0 40 DFAB Cn1c(=O)n(CCC(=O)Nc2cccc(F)c2)c2ccccc21 12620013 MOVBNUDUJUGAIC-UHFFFAOYSA-N 313.332 2.508 0 40 DFAB COc1cccc(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)c1 3329861 IWLIWZPLKOVGDC-ZDUSSCGKSA-N 319.401 2.937 0 40 DFAB COc1ccccc1NC(=O)NCc1ccc2c(c1)OCCO2 12973529 PMJDXDKVAXOJMY-UHFFFAOYSA-N 314.341 2.788 0 40 DFAB CCN(CCO)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003125 LXEBKPWJNKDMMW-UHFFFAOYSA-N 308.712 2.788 0 40 DFAB CC[C@H](C)[C@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 13654808 AGSYBSWAQVPZCC-WFASDCNBSA-N 304.390 2.737 0 40 DFAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC(F)(F)F)C1 65140492 DQYNUOAKOGEHID-WCQYABFASA-N 300.324 2.891 0 40 DFAB C[C@@]1(C(=O)Oc2ccccc2C=O)Cc2ccccc2C(=O)O1 5235390 SHFPLOPEFXLYBH-SFHVURJKSA-N 310.305 2.576 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)on1 65409073 VOZSWRDAVWVOCE-UHFFFAOYSA-N 300.314 2.553 0 40 DFAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6338417 ZOZSRSVBIBOXMM-INIZCTEOSA-N 308.381 2.716 0 40 DFAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)O)cc1 14628721 TWADEBCIPVNACR-CYBMUJFWSA-N 319.382 2.663 0 40 DFAB COc1ccc(NC(=O)N2CCC(c3nc[nH]n3)CC2)cc1C 83559170 VJERNANBRNMIPA-UHFFFAOYSA-N 315.377 2.533 0 40 DFAB CCO[C@H]1CCCN(C(=O)Nc2cc(OC)cc(OC)c2)C1 67557292 AZJMRQDVWVKYAP-ZDUSSCGKSA-N 308.378 2.737 0 40 DFAB Cc1n[nH]cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 90230979 XZZJFMULONAQJL-UHFFFAOYSA-N 323.271 2.677 0 40 DFAB Cc1ccc(OCCn2c(CCNC=O)nc3ccccc32)cc1 7546646 UZDKTLQIKLANNI-UHFFFAOYSA-N 323.396 2.712 0 40 DFAB COc1cc(C)c(S(=O)(=O)NCCc2ccccc2)cc1C 7616218 IVILRGMJLUZNFP-UHFFFAOYSA-N 319.426 2.833 0 40 DFAB C[C@H]1CN(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)O1 68542938 PCGABSSMBODEME-LBPRGKRZSA-N 311.470 2.505 0 40 DFAB CCCN(CCC)C(=O)CN1CCO[C@H](c2ccccc2)C1 71852558 NIYKCAIBMJVJSZ-KRWDZBQOSA-N 304.434 2.709 0 40 DFAB C[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)N1 70075763 SNJFHIDZTINDQZ-UWVGGRQHSA-N 301.217 2.745 0 40 DFAB Cn1cnnc1C1CCN(C/C=C/c2ccc(F)cc2)CC1 91795338 ALQOCUKWCNUMNO-NSCUHMNNSA-N 300.381 2.847 0 40 DFAB C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cnc2cnccn12 92063699 XZSXCODJLVEAOU-CXAGYDPISA-N 308.385 2.553 0 40 DFAB C[C@@H]([C@@H](C)NCc1nc(-c2cccs2)no1)n1cccn1 69951356 JLFARXNTMPBITO-MNOVXSKESA-N 303.391 2.734 0 40 DFAB c1cc(CN2CCCCC2)cc(-c2noc(Cn3ccnc3)n2)c1 97101281 GMRKABIIEGLDFN-UHFFFAOYSA-N 323.400 2.967 0 40 DFAB O=C(CCc1cscn1)N1CCC[C@H]1c1noc(C2CC2)n1 84338708 IPZNRWYJXHSCJC-LBPRGKRZSA-N 318.402 2.700 0 40 DFAB COCCN1CC[C@H](CNCc2cc(Cl)ccc2F)C1 95435685 IOCMCKQOPFXLGC-GFCCVEGCSA-N 300.805 2.537 0 40 DFAB CCC(=O)N1CC[C@H](N[C@H]2CCCOc3ccc(C)cc32)C1 95423888 NVNHSSHJHOGOMM-HOCLYGCPSA-N 302.418 2.809 0 40 DFAB O=C1CCCN1C[C@@H](NC[C@@H]1CCCCO1)c1ccccc1 95984434 WCHXUMXDFPTIPI-DLBZAZTESA-N 302.418 2.509 0 40 DFAB CC(C)n1ncc2c(=O)[nH]c(/C=C/c3ccc(C(=O)O)cc3)nc21 95976115 MXJWYGIKDHXBLA-VMPITWQZSA-N 324.340 2.569 0 40 DFAB Cc1occc1C(=O)N(CCC(=O)O)Cc1cccc(F)c1F 95970190 CPSYBBGVRJBYOK-UHFFFAOYSA-N 323.295 2.983 0 40 DFAB COc1cccc(C[C@H](C)NC(=O)N(C)Cc2nccs2)c1 74890683 ZMJCAEIVVPAJRY-LBPRGKRZSA-N 319.430 2.924 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1noc(C2CC2)n1 75605241 IINFEEDLANTBIO-LLVKDONJSA-N 321.812 2.979 0 40 DFAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3nc[nH]n3)c(C)c12 23140813 VAMVXWNEYCEQNC-UHFFFAOYSA-N 314.374 2.556 0 40 DFAB COc1ccccc1[C@@H]1CCCN1Cc1nc(C(=O)O)co1 519641422 MBPJXQSULOHBAP-ZDUSSCGKSA-N 302.330 2.719 0 40 DFAB CC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1F 78530997 PJUWYNWJMBVLMS-UHFFFAOYSA-N 318.329 2.677 0 40 DFAB Cn1cc([C@@H](OC(=O)c2cccc3cn[nH]c23)C(F)(F)F)cn1 73839679 VGZCQVVISDZLRT-GFCCVEGCSA-N 324.262 2.757 0 40 DFAB COc1ccc2[nH]cc(CCNC(=O)COC3CCCC3)c2c1 79051083 QZCNWHPKVFZXCY-UHFFFAOYSA-N 316.401 2.794 0 40 DFAB O=C1[C@H](Cc2cccc(Cl)c2Cl)SC2=NCCN12 36636004 WCPXVZQTUNZTKJ-VIFPVBQESA-N 301.198 2.850 0 40 DFAB CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCNCC1 72216364 AKAQEGNNAAFLKC-QGZVFWFLSA-N 302.466 2.674 0 40 DFAB CCCCN1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216528 WOKQHUKPOCBTBK-KRWDZBQOSA-N 302.466 2.770 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CCCC12OCCO2 225804974 NTSZGXFOJSRRBI-NEPJUHHUSA-N 323.364 2.555 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCCCCC1=O 227115711 HHXPADAIAXDKOK-CYBMUJFWSA-N 304.390 2.733 0 40 DFAB Cc1cc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)sn1 225723290 MDUMENFAPPPTMD-NSHDSACASA-N 321.427 2.983 0 40 DFAB CCn1nncc1CNC(=O)Nc1ccc(F)c(C2CC2)c1 529097369 RUCJPHHPKVDDIZ-UHFFFAOYSA-N 303.341 2.636 0 40 DFAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](C)CN1CCCCC1 63781983 BMIBXCILUJAZHH-CYBMUJFWSA-N 307.438 2.958 0 40 DFAB COc1ccc(OC)c2c(Br)c(C(=O)O)cnc12 85386661 DRWOBVBJMFIHOR-UHFFFAOYSA-N 312.119 2.713 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 83264116 BPBSAKAUWYIMSH-AWEZNQCLSA-N 310.438 2.641 0 40 DFAB S=C(NCCCN1CCc2ccccc21)Nc1cccnc1 225561548 IRDNMICLJLQNCW-UHFFFAOYSA-N 312.442 2.821 0 40 DFAB COC(=O)c1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)o1 192037188 GQFNFTINJOEMBX-YOEHRIQHSA-N 315.369 2.934 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)c1 96434812 OLBYOGSXSLGJGB-BBRMVZONSA-N 305.422 2.814 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CC1(Cl)Cl 97414575 DVJRDBGLFLBPKQ-YFKPBYRVSA-N 315.078 2.526 0 40 DFAB CC(C)(C)OC(=O)N1CCC(c2ccnc(C(=O)O)c2)CC1 95496184 YSGQUFXRIPIBMO-UHFFFAOYSA-N 306.362 2.894 0 40 DFAB CCCc1nc(CN2CCSC[C@H]2CC(=O)OC)cs1 96475508 CUFQUVSHLPFXBS-GFCCVEGCSA-N 314.476 2.576 0 40 DFAB Cc1cccnc1[C@H](NCC(=O)Nc1c(C)n[nH]c1C)C(C)C 96424395 JTDTUBAGVGUVSA-OAHLLOKOSA-N 315.421 2.655 0 40 DFAB CCNc1nc(C)c(C(=O)NCC[C@@H](O)c2ccccc2)s1 96468272 WYOPYJWSFHYLNT-CYBMUJFWSA-N 319.430 2.737 0 40 DFAB CCS(=O)(=O)c1sc(N)nc1-c1ccc(Cl)cc1 96533007 CBTYCPNQADFWGQ-UHFFFAOYSA-N 302.808 2.839 0 40 DFAB C[C@H]1CCC[C@@H]1NC(=O)CSc1nc(-c2cccnc2)no1 96495970 WETNFFLRTLVVRF-JQWIXIFHSA-N 318.402 2.529 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)NC2CCCC2)C1 96193091 BTTVVOSIQOFTSQ-KRWDZBQOSA-N 302.374 2.637 0 40 DFAB C[C@@]12CCN(C(=O)CCc3ccccc3F)[C@@H]1CC[C@@H](O)C2 257227502 FPOZGSNXWBVYIR-KYJSFNMBSA-N 305.393 2.910 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(Cl)cc2)n1 257244516 ILSPEFYKIFLLNZ-CYBMUJFWSA-N 305.765 2.585 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257235460 GXZBKJCYTWFJMX-CQSZACIVSA-N 308.385 2.840 0 40 DFAB C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)C1 253369442 CRPFMNKIEDUEBO-FAYQHZLMSA-N 314.429 2.964 0 40 DFAB FCCn1ncnc1CN1CC[C@@H](Cc2ccc(F)c(F)c2)C1 252496836 PSSNCUFPQPMBPX-ZDUSSCGKSA-N 324.350 2.590 0 40 DFAB CCN1CCC2(CCN(C(=O)c3cccs3)CC2)CC1=O 585102563 VMIULWHWCPHETP-UHFFFAOYSA-N 306.431 2.613 0 40 DFAB Cn1cc(CN2CCOC[C@@H]2c2cc[nH]n2)c2cc(F)ccc21 585261121 NPEHCGLEWBJBEL-QGZVFWFLSA-N 314.364 2.614 0 40 DFAB Cc1cn2nc(N3CCC[C@H]3Cn3nc(C)cc3C)sc2n1 69919283 RQCSCVXGANYYHV-ZDUSSCGKSA-N 316.434 2.582 0 40 DFAB CCO[C@H](CC)C(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1 57207045 AEXZNGUVYGJQNX-MRXNPFEDSA-N 320.433 2.598 0 40 DFAB Fc1ccccc1SCCN1CCN(c2ncccn2)CC1 78394439 ZDSJKUSFZCJMPZ-UHFFFAOYSA-N 318.421 2.530 0 40 DFAB C[S@@](=O)CCNCc1cc(Br)ccc1Cl 95425774 SQBZBBKCRWUPSR-HNNXBMFYSA-N 310.644 2.571 0 40 DFAB CC[C@H](NC(=O)c1cnc(N(C)C)nc1)c1ccc(F)cc1 12199703 IPMREVANQUJNIK-AWEZNQCLSA-N 302.353 2.563 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(N)cc3s2)cc1 241016 FFVHUJAKQOGNBE-UHFFFAOYSA-N 319.411 2.988 0 40 DFAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 5021074 VLQOGBLOSNHXKB-LLVKDONJSA-N 305.403 2.989 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 24687159 JSTUNTPWVBKKEA-UHFFFAOYSA-N 322.430 2.741 0 40 DFAB CN(C)CCCNC(=O)CSCc1ccc(Cl)cc1 13670796 DOBHCWCTPPDZCF-UHFFFAOYSA-N 300.855 2.641 0 40 DFAB CC1CCC(C(=O)N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)CC1 1565552296 YPNKTJDJLBEJEU-MHVXSEJMSA-N 318.461 2.530 0 40 DFAB O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2)OCO3 1395366 BDMYAZQPJOCOKN-MRXNPFEDSA-N 307.305 2.784 0 40 DFAB CCNc1nc2c(s1)[C@@H](c1ccc(O)c(OC)c1)CC(=O)N2 15110085 YRHCNCQIHKVEIF-SECBINFHSA-N 319.386 2.763 0 40 DFAB O=C(O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 206581504 QIEQZUBDHRYYCW-UHFFFAOYSA-N 322.368 2.722 0 40 DFAB C[C@H]1CN(C(=O)c2ccc(Br)s2)[C@@H](C)CO1 40217851 DERDPQGGQJHRBB-YUMQZZPRSA-N 304.209 2.760 0 40 DFAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N)cc1 5709164 YUXVOSOFKCPFFW-UHFFFAOYSA-N 312.369 2.935 0 40 DFAB CCn1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 40468205 HJHMWTZKWZAVTC-UHFFFAOYSA-N 323.396 2.896 0 40 DFAB CC(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51420392 MRSWDTWEEJVJQO-UHFFFAOYSA-N 315.417 2.568 0 40 DFAB Cc1ccc(C)c(OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1C 32963799 SOEXTZURWLXAGY-SUMWQHHRSA-N 319.426 2.971 0 40 DFAB O=C1CN2C(=Nc3ccc(Cl)cc3[C@H]2c2ccccc2)CN1 321290 QZVQWLDMPTXMFN-QGZVFWFLSA-N 311.772 2.905 0 40 DFAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(O)cc3)cnc21 52963247 YCABRSUCFQOMDJ-UHFFFAOYSA-N 324.384 2.990 0 40 DFAB Cc1ccc(NC(=O)CN2C(=S)NC(C)(C)C[C@H]2C)cc1 212550 QRAMCZCHPSTROR-GFCCVEGCSA-N 305.447 2.681 0 40 DFAB O=C(NCCCc1ccccc1)NC1CCC2(CC1)OCCO2 42997733 LKHGOIGYQNILRT-UHFFFAOYSA-N 318.417 2.604 0 40 DFAB Cc1nccc(C(=O)N(C)Cc2ccccc2N2CCCC2)n1 79621413 IJOOLQNRTOEQGK-UHFFFAOYSA-N 310.401 2.657 0 40 DFAB CCN(CC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3169882 HQINEBHJRLNYKL-UHFFFAOYSA-N 318.870 2.739 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 4192315 ODPNZLMTXRXZDB-CPUCHLNUSA-N 305.418 2.892 0 40 DFAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCCN2C 107135444 AGDLHZCQLCVFMO-CZUORRHYSA-N 318.417 2.592 0 40 DFAB Cc1cc2c(c(=O)o1)[C@@H](C)C[C@H](c1c(O)cc(C)oc1=O)O2 104266830 HYZREXXZIIBUGU-WRWORJQWSA-N 304.298 2.543 0 40 DFAB C[C@@]12CC[C@H](O)[C@@](C)(CO)[C@@H]1CC[C@@]13C=C[C@@](CO)(CC[C@H]21)C3 8617623 HMKFWGVTZPRBQX-GCNBINEPSA-N 320.473 2.891 0 40 DFAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(N)s1 10213982 LYLFEIMUNZVJQI-SECBINFHSA-N 320.443 2.580 0 40 DFAB Cc1noc([C@@H](C)N2CCN(c3cccc(C)c3C)CC2)n1 27814822 CJEHYKVLHYZPPO-CQSZACIVSA-N 300.406 2.878 0 40 DFAB Cc1ccc(-c2nc(C(=O)N3CCN(C)CC3)cs2)c(C)c1 58300658 IQUOGVCIJRYRLN-UHFFFAOYSA-N 315.442 2.815 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H](C)c1cccs1 10518989 MBZBWLBLJXKRFS-SECBINFHSA-N 300.405 2.735 0 40 DFAB O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccc1F 12586855 NEVMWVKYQPLQML-CYBMUJFWSA-N 318.392 2.879 0 40 DFAB Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1 20143857 RAPISPPIVFXXFK-UHFFFAOYSA-N 315.325 2.725 0 40 DFAB CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(C)CC1 113950695 HNDUOULNUBMRAU-AWEZNQCLSA-N 310.825 2.708 0 40 DFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 48065982 ZAFNKAORMGGXSO-YSKGHYERSA-N 318.373 2.516 0 40 DFAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1C 2618244 IGTGZIBTNRKIBQ-UHFFFAOYSA-N 300.387 2.660 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1cccc(C(=O)O)c1)C2=O 100576460 RJZCEWWZBKTLLG-SJCJKPOMSA-N 301.342 2.701 0 40 DFAB biogenic 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CC(C)Oc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15646228 BUTMNXVFOUMUBF-UHFFFAOYSA-N 323.356 2.702 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(F)c1 7428117 HIBDQORWQQYOTB-UHFFFAOYSA-N 323.345 2.706 0 40 DFAB CN(CCCNC(=O)N1Cc2ccccc2C1)CC(F)(F)F 71879757 YEBFXDUGWKYHGX-UHFFFAOYSA-N 315.339 2.596 0 40 DFAB Cc1nc(-c2cccc(OCC(=O)NCc3ccccc3)c2)no1 33327475 AFSCKSBTKVWQJR-UHFFFAOYSA-N 323.352 2.740 0 40 DFAB O=c1onc(-c2cccnc2)n1Cc1ccc(OC(F)F)cc1 68919860 WAMMHCYYURNOCG-UHFFFAOYSA-N 319.267 2.548 0 40 DFAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(C)c1 69384531 IFBJFWSYWNEBEU-CYBMUJFWSA-N 304.390 2.591 0 40 DFAB C[C@H](NC(=O)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)cc1 22540535 RXIJMJNQJIPESU-OLZOCXBDSA-N 314.360 2.880 0 40 DFAB O=C(CN1C(=O)CSC1=O)Nc1cc(Cl)cc(Cl)c1 8391195 HLHOIULYHHMSOM-UHFFFAOYSA-N 319.169 2.627 0 40 DFAB C/C(=C\C(=O)N[C@@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1 98055469 SPQCDDPPVFCYBG-JGJWRRPTSA-N 302.393 2.972 0 40 DFAB O=C(C1CCCCC1)N1CCC[C@@H](c2nncn2C2CC2)C1 69810870 CVUBPICSXGZKPR-CQSZACIVSA-N 302.422 2.899 0 40 DFAB O=C(COc1ccccc1Cl)N1CCC[C@@H](n2ccnc2)C1 69917671 IQZQJJOPKPYXCH-CYBMUJFWSA-N 319.792 2.779 0 40 DFAB CC(C)(C)C(=O)N1CCCN(c2nc(C3CC3)ns2)CC1 84140059 WKCHBGHNTYPXBL-UHFFFAOYSA-N 308.451 2.500 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c1 97000529 NGFDKWWTNSFDKY-OAHLLOKOSA-N 303.402 2.949 0 40 DFAB Clc1ccc(-c2ccc3nnc([C@@H]4CCCNC4)n3n2)cc1 217561137 JBLPNTDCKCLJIN-GFCCVEGCSA-N 313.792 2.912 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N(C)C[C@@H](C)O 95983872 ADAFYRQVUOGTSQ-UONOGXRCSA-N 300.402 2.793 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC=CCC1)C2 97198377 ZTCQYXQTMWXNMC-KGLIPLIRSA-N 301.434 2.968 0 40 DFAB C[C@](O)(CNC(=O)C[C@@H]1CCCCO1)c1ccccc1Cl 97143428 GGYLXSGAQCHJDF-LRDDRELGSA-N 311.809 2.623 0 40 DFAB COc1ccc(NC(=O)COC(=O)Cc2cccc(C)c2)cc1 72331134 FNRVXAXQGFQKIC-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB COC(=O)NCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 89401119 GELMOAQIZGPDSI-AWEZNQCLSA-N 308.353 2.625 0 40 DFAB CSc1ccc(NCC(=O)Nc2c(C)nn(C)c2C)cc1F 86211094 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Cc1ccc(=O)n(Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 96485490 DVIDDWYYPJQKHT-UHFFFAOYSA-N 315.373 2.947 0 40 DFAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(Br)c(F)c1 96435439 YAFFAPPYEVUKIP-JGVFFNPUSA-N 319.174 2.727 0 40 DFAB O[C@H](Cn1ccnc1[C@@H](O)c1ccccc1)c1ccc(F)cc1 97375827 NHEFFSFDJMTVOQ-SJORKVTESA-N 312.344 2.838 0 40 DFAB CO[C@H](C)C(=O)NCCc1nc(-c2ccccc2)c(C)s1 96449578 KYQZFJKGYUMXGR-LLVKDONJSA-N 304.415 2.812 0 40 DFAB Cc1occc1CNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 96436204 DNYXESCFZDMUQO-JSGCOSHPSA-N 322.405 2.898 0 40 DFAB COc1ccc(CN2CC[C@H](c3nccc(C)n3)C2)c(F)c1 257275657 NQHQWEMXLYZHSH-AWEZNQCLSA-N 301.365 2.922 0 40 DFAB CC(C)[C@@H](C)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 253394282 CMDIJGFDDUNIFJ-GDBMZVCRSA-N 303.450 2.840 0 40 DFAB O=c1c2ccccc2nc2n1CCCN(Cc1ccccc1)CC2 585282530 FXENZAATZJUDIW-UHFFFAOYSA-N 319.408 2.845 0 40 DFAB CC[C@@H](C)N1C[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O 585099483 MEYMKYQIMXMDDU-WBMJQRKESA-N 307.463 2.674 0 40 DFAB COCCN1CC[C@]12CCCN(C(=O)c1ccc(C)cc1C)C2 585101724 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311.385 2.540 0 40 DFAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCCCCC2)cc1 32797105 NJCNJHRKWATMDF-ZDUSSCGKSA-N 303.406 2.848 0 40 DFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H]1CCOC1 41378271 QEVMCJRSTBWGRD-GFCCVEGCSA-N 319.792 2.600 0 40 DFAB COc1ccc(CC(=O)N2CCc3sccc3C2)cc1OC 22596798 QTGFRKRBLUKVHY-UHFFFAOYSA-N 317.410 2.893 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C)O[C@H](C)C1 22836175 SGENPKHSSITXFE-PHIMTYICSA-N 317.414 2.763 0 40 DFAB CCc1c(C)nc2nc(C)nn2c1Nc1ccc(C(=O)O)cc1 12413166 LILQTFTWTOLHNJ-UHFFFAOYSA-N 311.345 2.745 0 40 DFAB COc1cccc([C@@H](NC(=O)c2ccccc2)c2nccn2C)c1 24017064 QTOBWVGTZHNRIA-QGZVFWFLSA-N 321.380 2.948 0 40 DFAB CCc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 1357721 KGFAIJULIMOILL-HNNXBMFYSA-N 310.401 2.894 0 40 DFAB NC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)c(F)c1 78992012 KMCNXNIRHKWZPG-UHFFFAOYSA-N 306.724 2.759 0 40 DFAB CC(C)CCN[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)O 6023190 NAYKBUMFQNUZHF-ZDUSSCGKSA-N 312.797 2.758 0 40 DFAB CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1 7603578 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CC(=O)N1CCc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc21 28636874 OTNQDMWNWNVNKN-UHFFFAOYSA-N 320.352 2.724 0 40 DFAB Cc1nc([C@H]2CN(Cc3nc(C(C)(C)C)cs3)CCO2)no1 95964869 WSWGCLZCMFWVAX-LLVKDONJSA-N 322.434 2.706 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H]1C[C@H]1C 3228521 AIZOKUJYZRTQTE-SCZZXKLOSA-N 311.765 2.795 0 40 DFAB CSc1nnnn1-c1cccc(NC(=O)[C@H]2CC=CCC2)c1 45715547 FPQNCXCBOLFDAT-NSHDSACASA-N 315.402 2.679 0 40 DFAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)O)c1ccc(F)cc1 11920128 PQMFIEZLKDVBJL-VIFPVBQESA-N 306.318 2.649 0 40 DFAB O=c1onc(-c2ccccn2)n1Cc1cccc(C(F)(F)F)c1 60330779 REHYFPGSMHLNRC-UHFFFAOYSA-N 321.258 2.965 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccoc1)C2 102727141 APMVNQZFZXKKAV-KBPBESRZSA-N 320.389 2.940 0 40 DFAB Cc1ccc(C)c(OCc2cc(=O)n3nc(C)sc3n2)c1 20858940 URNDWFCKCYHPKP-UHFFFAOYSA-N 301.371 2.655 0 40 DFAB CC[C@@]12CCCN1C(=O)N(C[C@@H](C)Oc1ccc(F)cc1)C2=O 95992590 RECPBVTXJCSPAJ-PXAZEXFGSA-N 320.364 2.800 0 40 DFAB CCc1nnc(NC(=O)Cc2sc(SC)nc2C)s1 12821140 ODNHDIKLEAHFKR-UHFFFAOYSA-N 314.461 2.769 0 40 DFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2)cc1 3453298 QBMVSQHPBCULNR-ZDUSSCGKSA-N 313.353 2.557 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12976627 XXFSHDRYVJZSHZ-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB O=C(NCCc1ccccn1)c1cc(F)ccc1Br 19507737 HTSYROVVOJCYMZ-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB C[C@@H](SCCCN(C)C)C(=O)N1CCc2sccc2C1 96010338 XLFNVIPOQOWISG-GFCCVEGCSA-N 312.504 2.706 0 40 DFAB COc1ccc(CNC(=O)c2ccccc2Cl)cc1C(=O)O 13392772 UDCDRLSNNLWHQO-UHFFFAOYSA-N 319.744 2.977 0 40 DFAB O=C([C@H]1CCCO1)N1CCC(c2nc3ccccc3o2)CC1 9388431 GZGJGSWUOUOPJR-OAHLLOKOSA-N 300.358 2.713 0 40 DFAB CCn1cc(C2CCN(C[C@H](O)c3cccc(F)c3)CC2)cn1 65466035 MCBZTDGDKPIURK-SFHVURJKSA-N 317.408 2.955 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)C1(c2ccc(F)cc2)CCC1 65475832 XAUSIISYDJHQQG-OAHLLOKOSA-N 313.376 2.575 0 40 DFAB CSC[C@H](C)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 95464449 DYDQZWWDBDSPHK-QWHCGFSZSA-N 301.452 2.568 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2occc2C)c1C 9456072 CCTLDTHAJXAYCF-UHFFFAOYSA-N 303.314 2.775 0 40 DFAB CC(=O)Oc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1 4588979 CYWHOLNVUZGZDM-UHFFFAOYSA-N 313.309 2.790 0 40 DFAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N1 5402987 INHYMSXJXALUMZ-UHFFFAOYSA-N 322.773 2.635 0 40 DFAB CC(C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 5533750 HSQHWPSYSKDHBM-IUODEOHRSA-N 304.415 2.560 0 40 DFAB C[C@@H](NC(=O)c1ccnc(F)c1)c1cccc(-n2ccnc2)c1 96432063 RVXSVUYFQPEDKX-GFCCVEGCSA-N 310.332 2.897 0 40 DFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1F 15422167 XWTXJKFECBNGPP-UHFFFAOYSA-N 311.316 2.634 0 40 DFAB Cn1ncc(CN(CCO)c2cccc(F)c2)c1C(F)(F)F 95449846 FGDJIPNDHYYYSJ-UHFFFAOYSA-N 317.286 2.577 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 7608690 FADSVIOHJAKKSU-UHFFFAOYSA-N 323.801 2.674 0 40 DFAB CCc1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7724110 QDJSAHYIWFJSLL-CZUORRHYSA-N 304.415 2.642 0 40 DFAB O=C(CS[C@@H]1CCCc2ccccc21)NC[C@H]1CCOC1 71892692 OCWRUZAUAIQQJH-CZUORRHYSA-N 305.443 2.950 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(C)nc1C 8342768 KRVNOAZWDRUNAE-UHFFFAOYSA-N 319.386 2.979 0 40 DFAB Cc1csc(SCCNC(=O)OCC(F)(F)F)n1 71804180 ARHMKSPHUPTFGW-UHFFFAOYSA-N 300.327 2.832 0 40 DFAB CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 69476932 CHLAMXWJBNXGKC-QGZVFWFLSA-N 323.396 2.634 0 40 DFAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc(OC)cc1 69509964 IAHVGRCDCLCRQY-MSOLQXFVSA-N 316.445 2.713 0 40 DFAB CC[C@](C)(NCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)OC 71912038 MQHZJWCSVFVDOA-INIZCTEOSA-N 321.352 2.615 0 40 DFAB CN(C(=O)CN(Cc1cscn1)c1ccccc1)C1CC1 71904326 NCWURYSCCLTDGR-UHFFFAOYSA-N 301.415 2.771 0 40 DFAB CCOC(=O)Cc1cc(O)n2nc(-c3ccc(C)cc3)cc2n1 8580395 VLVGFDVCAALBOS-UHFFFAOYSA-N 311.341 2.516 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 69967956 KFNGNXUKUKQBCY-GDBMZVCRSA-N 315.421 2.548 0 40 DFAB O=C(CCc1ccc2c(c1)OCO2)NCCOc1ccccc1 23135815 AZUQCCLHPGZQCA-UHFFFAOYSA-N 313.353 2.543 0 40 DFAB O=C1CCc2cc(NS(=O)(=O)c3ccccc3F)ccc2N1 8962471 YHOWNZJUJUJZNL-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 95989503 FRZVQQICLLEHIQ-FXAINCCUSA-N 315.291 2.646 0 40 DFAB Cc1ccn(Cc2cn3cc(Br)ccc3n2)c(=O)c1 84247985 UNSRNIZJCLXGOS-UHFFFAOYSA-N 318.174 2.615 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CC[C@@H]1CCCO1)C2 97198385 JFCNONJWZMYSBF-KBPBESRZSA-N 319.449 2.571 0 40 DFAB CSCc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 9912093 WDKBVDAAFGOGFZ-UHFFFAOYSA-N 300.383 2.901 0 40 DFAB NC(=O)c1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 89780635 RLXXTKZGLWUFHU-UHFFFAOYSA-N 310.397 2.903 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 76044042 XUWXPDIZADPXKE-CABZTGNLSA-N 318.377 2.704 0 40 DFAB CN(C)Cc1csc(CNC(=O)N[C@H]2CC23CCCCC3)n1 1548453490 HBOREYGKOOGAFC-ZDUSSCGKSA-N 322.478 2.727 0 40 DFAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C 409003319 RUPRAXKPTHBBOQ-SOUVJXGZSA-N 310.438 2.938 0 40 DFAB CN(C)[C@H](CNc1nc(-c2cccnc2)nc2c1CCC2)C1CC1 531110814 OEUUUPLOXMGSEJ-QGZVFWFLSA-N 323.444 2.779 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)/C=C/c1ccc(NC(C)=O)cc1 78985491 PJBFKZQWAQAARX-ZVYLKZBJSA-N 303.358 2.769 0 40 DFAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc2c1C(=O)CC(C)(C)C2 39851844 MOEQRYZIFFBUOK-QWRGUYRKSA-N 319.401 2.993 0 40 DFAB Cc1nnsc1C(=O)OCc1cc(-c2cccs2)on1 36662595 RHOBVKRWXSGPLP-UHFFFAOYSA-N 307.356 2.920 0 40 DFAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2C 32096229 HXRNYVKPXBSTHT-UHFFFAOYSA-N 310.382 2.927 0 40 DFAB CC(=O)Nc1cc(C(=O)OC2([C@H]3CCOC3)CC2)ccc1F 78804239 HJFXUAFISVRIIO-LBPRGKRZSA-N 307.321 2.510 0 40 DFAB COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@@H]1OC 78985601 TVTXPCBFYINILY-JKSUJKDBSA-N 306.358 2.551 0 40 DFAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cccnc1 75802192 ASCYFHYZCHMJAO-UHFFFAOYSA-N 311.385 2.952 0 40 DFAB COCC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375226 JUVQBUSLAVABSD-LBPRGKRZSA-N 318.402 2.592 0 40 DFAB Clc1ccccc1Cc1nnc2sc(-c3cc[nH]n3)nn12 71284345 KPCIUJHFQBAPMR-UHFFFAOYSA-N 316.777 2.820 0 40 DFAB Cn1cccc(NC(=O)/C=C/c2nc3ccccc3s2)c1=O 74019880 NYRKTDMMQUVJAP-CMDGGOBGSA-N 311.366 2.647 0 40 DFAB Cc1cc(C)nc(N2CCC(O)(c3ccccc3F)CC2)n1 72351155 LONGPFNRRWVPTR-UHFFFAOYSA-N 301.365 2.721 0 40 DFAB CCOc1ccc(N[C@H]2CCN(CC(F)(F)F)C2=O)cc1C 79354927 RYDRFUUCVKELFV-LBPRGKRZSA-N 316.323 2.969 0 40 DFAB COc1ccc(F)c(NC(=O)N[C@@H](CO)Cc2ccccc2)c1 88408061 LOOCMCUDINJUCJ-CYBMUJFWSA-N 318.348 2.559 0 40 DFAB C[C@@H](C(=O)O)[C@H](NC(=O)Cc1ccsc1)c1ccccc1 195551155 ARDNSLSQCHDZGH-ABAIWWIYSA-N 303.383 2.869 0 40 DFAB CCOC(=O)c1cnn(-c2nc3cc(Cl)ccc3s2)c1N 44890866 LIMKOLOMHQEYNR-UHFFFAOYSA-N 322.777 2.894 0 40 DFAB CCOCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c(C)n1 225891708 YQJLRPGIVPRHEJ-QGZVFWFLSA-N 322.405 2.559 0 40 DFAB Cc1ccc(C(=O)CCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 17303924 IKEKQTHLGDXBMQ-UHFFFAOYSA-N 307.353 2.895 0 40 DFAB CC[C@H](NC(=O)c1cccnc1)c1ccc(OC)c(OC)c1 225432109 JCHVVKZQDJRKOH-AWEZNQCLSA-N 300.358 2.980 0 40 DFAB CN1C(=O)C[C@H](CN[C@H]2CCCSC2)[C@@H]1c1ccccc1 195558850 PMRHBXIMWCRCJV-VYDXJSESSA-N 304.459 2.691 0 40 DFAB CCOc1ccc(NC(=O)NCc2nncn2C2CC2)cc1C 95409743 GMLVGFPENZADCX-UHFFFAOYSA-N 315.377 2.642 0 40 DFAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)COCC2CC2)C1 96414585 OIFMWRGYUWOWAT-HNNXBMFYSA-N 319.376 2.674 0 40 DFAB CN(C(=O)CN1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 579705542 MTAWFKGBTXHIKA-GOSISDBHSA-N 304.409 2.844 0 40 DFAB COCCN(CCOC)c1cc(Br)ccc1F 95915595 UXHYLDFXMVFDON-UHFFFAOYSA-N 306.175 2.687 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(F)c1F 97379466 YRXXFVWPFFGTHI-AWEZNQCLSA-N 306.312 2.517 0 40 DFAB CC(C)c1noc([C@H](NCc2cscn2)C2CCOCC2)n1 583621751 IQKNSLOANBBFDI-CYBMUJFWSA-N 322.434 2.907 0 40 DFAB COC[C@@H]1COCCC12CCN(CCc1ccccc1)CC2 96106304 VDBYZIQXRIYXCJ-GOSISDBHSA-N 303.446 2.994 0 40 DFAB O=C(C1CC=CC1)N1CC2(CCN(Cc3ccsc3)C2)C1 96070939 VISWWLMYYISFRL-UHFFFAOYSA-N 302.443 2.749 0 40 DFAB O=C(c1ccccc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247956702 VTUWVZPJYBYSQL-INIZCTEOSA-N 324.380 2.534 0 40 DFAB Cc1cc([C@@H]2CN(Cc3cc(F)ccc3F)CCO2)nc(C)n1 257275254 NOOOVBLGBCAYAU-KRWDZBQOSA-N 319.355 2.945 0 40 DFAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257266016 MBGDAVUMJJPZRL-AWEZNQCLSA-N 301.365 2.573 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575403486 LYLMTHJOSLALKY-HNNXBMFYSA-N 320.458 2.731 0 40 DFAB CNC(=O)NC1CCN(c2nc3cccc(C)c3s2)CC1 581535655 FUFRRIFCECGQBT-UHFFFAOYSA-N 304.419 2.503 0 40 DFAB Cc1cnn([C@H](C)[C@@H](C)NCC[S@@](=O)c2ccccc2)c1 69655257 CIBXMNUJFZRQAS-PZPWOCDFSA-N 305.447 2.538 0 40 DFAB CC(C)(C)c1cnc(CN[C@H]2CCCN(c3cccnn3)C2)o1 69878195 FQDPFVJQZPAQBE-ZDUSSCGKSA-N 315.421 2.521 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)cn1 48018888 QUWZLZUEUMISTE-ZDUSSCGKSA-N 302.334 2.756 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H](C)CNc2ccccc2)nn1C 84622472 BQHCCVLKXXVGDY-ZDUSSCGKSA-N 300.406 2.774 0 40 DFAB Brc1ccc(I)c2[nH]ncc12 90413792 XRIPZGWTZPVRFE-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB in-vitro OC[C@@H](NCc1noc(-c2ccsc2)n1)c1ccccc1 97081901 WEBBMFBHLOZIEP-CYBMUJFWSA-N 301.371 2.621 0 40 DFAB Cc1cccnc1OCC1CCN(c2ncnc3c2CCC3)CC1 585533435 YFFYHCPUSIJKJD-UHFFFAOYSA-N 324.428 2.964 0 40 DFAB Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)o1 5420333 FULJJXQOHAZCNH-UHFFFAOYSA-N 300.358 2.882 0 40 DFAB Cn1nccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 11695084 GANWPVDZACYIIF-UHFFFAOYSA-N 323.356 2.601 0 40 DFAB CS(=O)(=O)N1CCc2cc(-c3cc4ccccn4c3)ccc21 12235727 HSILKJQFFKDESR-UHFFFAOYSA-N 312.394 2.928 0 40 DFAB Ic1cccc(OCC2CCNCC2)c1 14631441 HWENPBNMWORNHU-UHFFFAOYSA-N 317.170 2.670 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cccnc1 19130495 GLSYREVHMQYNNW-GOEBONIOSA-N 305.385 2.695 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)Cc1cccs1)CC2 3136091 FJFVZKQLJGLMJX-UHFFFAOYSA-N 317.410 2.893 0 40 DFAB CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 3301284 VAONUUPBLIWRDC-UHFFFAOYSA-N 314.794 2.695 0 40 DFAB O=S(=O)(NCC1(c2ccsc2)CC1)c1ccccc1F 1888930413 OSVIJKKVPUFKNO-UHFFFAOYSA-N 311.403 2.897 0 40 DFAB Fc1ccc(OCCN=c2cc(C(F)(F)F)nc[nH]2)cc1 1889136110 CLGMYHRDSZNICY-UHFFFAOYSA-N 301.243 2.547 0 40 DFAB Cc1cccc(OCCN(C)C(=O)c2ccc3c(c2)OCO3)c1 16147975 BISGMGHMTFXBPJ-UHFFFAOYSA-N 313.353 2.875 0 40 DFAB Cc1nnc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)s1 23626158 WQVWQOURTLSULD-UHFFFAOYSA-N 315.398 2.937 0 40 DFAB COC(=O)c1cc(-c2ccc(OC)cc2Br)on1 260666828 VVCRUBGHJGGAMP-UHFFFAOYSA-N 312.119 2.899 0 40 DFAB O=C(NCc1cccc2ccccc12)N[C@@H]1CCn2nccc2C1 244955879 GDEYYGJRTJTYBY-MRXNPFEDSA-N 320.396 2.851 0 40 DFAB O=C(CC1CC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912346 JYAYALDGPJVQJF-GOSISDBHSA-N 321.392 2.748 0 40 DFAB CCCN(CCC)CCCNC(=O)C(=O)Nc1ccc(C)cc1 3112047 YHOQDJRWHUKIQX-UHFFFAOYSA-N 319.449 2.562 0 40 DFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)Cc1cccs1 8931748 SJMCVKBJYNWFRQ-UHFFFAOYSA-N 319.411 2.616 0 40 DFAB CCCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 12345584 NIWFIKSKBNLXSG-CQSZACIVSA-N 319.792 2.590 0 40 DFAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cccc(Cl)c1)C2 2055771681 QSGPATLHXBJSIC-DOTOQJQBSA-N 323.820 2.998 0 40 DFAB Cc1cc(C)nc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)n1 100115938 LCFPSHVREFKUQX-ZDUSSCGKSA-N 313.382 2.518 0 40 DFAB CCOc1ccc(CC(=O)C2C(=O)CCCC2=O)cc1OCC 100146914 RWDHRVAVLHTCSI-UHFFFAOYSA-N 318.369 2.534 0 40 DFAB Cn1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)n1 50294152 GWKUTOKYURHNMG-UHFFFAOYSA-N 301.737 2.512 0 40 DFAB COc1ccc(CC(=O)N(C)c2nc(C)cs2)cc1OC 40548878 MAFXGBOTTLBDBR-UHFFFAOYSA-N 306.387 2.674 0 40 DFAB C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 40553258 TVHDVVGMPYOVNP-SUMWQHHRSA-N 314.429 2.875 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)n1 40513986 ZYUFODXIOLFQJI-JTQLQIEISA-N 319.327 2.927 0 40 DFAB CCN(CC)[C@H](CNC(=O)c1cc(C)no1)c1ccsc1 31986500 JCMGUFLURSADOJ-CYBMUJFWSA-N 307.419 2.857 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21 101498010 CLWACYNFCVCDFM-SWLSCSKDSA-N 316.401 2.624 0 40 DFAB COc1cccc(-n2nnc(C(=O)N3CCCCCC3)c2C)c1 32633211 OBFXYXVFQPFBEN-UHFFFAOYSA-N 314.389 2.601 0 40 DFAB Cc1ccc(CN(Cc2nc(=O)c3ccccc3[nH]2)C2CC2)o1 52993948 VMCLUEKVBBOUHU-UHFFFAOYSA-N 309.369 2.989 0 40 DFAB COc1ccc([C@@H](CNC[C@@H](O)c2ccccc2)N(C)C)cc1 22029464 LFUAQHYZPOUABM-RTBURBONSA-N 314.429 2.621 0 40 DFAB Cc1nc(Sc2cnc3ccccc3n2)sc1CC(N)=O 41873336 ISHHCYITVBGSEF-UHFFFAOYSA-N 316.411 2.574 0 40 DFAB O=C(COC(=O)[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 131959 AIRSVVQCGQJHJW-LLVKDONJSA-N 318.156 2.654 0 40 DFAB COC(=O)CSc1nnc2c(C)cc3cc(C)ccc3n12 412177 JPRTVKCAHLIPHC-UHFFFAOYSA-N 301.371 2.764 0 40 DFAB COc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 730800 SIBQSSWYYRKOPM-GFCCVEGCSA-N 313.353 2.957 0 40 DFAB CC(C)[C@@H](Sc1nccn1C)C(=O)NCc1ccccc1F 42935361 HDXSGVXNPYVGSN-CQSZACIVSA-N 321.421 2.992 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 78669085 LRYUYOFRDMBCGO-WVNGCBKESA-N 311.491 2.866 0 40 DFAB CC(C)COC(=O)c1ccc(NC(=O)C[C@H]2CCCN2)cc1 1669918 OKRYFJXDHALNET-OAHLLOKOSA-N 304.390 2.580 0 40 DFAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nnc2ccccn12 24978435 PAAQDVVSRNAZBG-HNNXBMFYSA-N 306.369 2.636 0 40 DFAB CCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O 6950842 KJZNBVWUKUBCPY-LCYFTJDESA-N 318.354 2.654 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)c(C)c1 51316301 FFKGUKIUTQSKOT-UHFFFAOYSA-N 324.380 2.976 0 40 DFAB O=C(O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1 10118713 QRAMGHPSORWEON-VXLYETTFSA-N 318.760 2.927 0 40 DFAB COc1ccc([C@H](O)[C@H](C)NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 108362866 NDZYVSAVJAKNLH-QSHCWMPCSA-N 315.413 2.525 0 40 DFAB CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccco2)cc1 8526383 ACNLYNWFLYMQNH-LLVKDONJSA-N 315.325 2.516 0 40 DFAB COc1ccccc1-c1c(C)nc2nc(C(F)(F)F)nn2c1N 20638468 OMBFPDWFYQMTLI-UHFFFAOYSA-N 323.278 2.709 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)O 3208252 GAFMFGRKEXNDDQ-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)c(C)c1 58265601 NGYOLEGOUQFOQG-CYBMUJFWSA-N 320.414 2.828 0 40 DFAB COc1ccc(CSCC(=O)NCc2ccncc2)cc1 20237849 SNBYYLAZVUXHII-UHFFFAOYSA-N 302.399 2.640 0 40 DFAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)[C@@H]1CCCO1 27880826 ZXVWGWIKTBQOKL-MFKMUULPSA-N 317.414 2.811 0 40 DFAB Cc1cc(C)c2c(c1)[C@@H](NC[C@H]1CNc3ccnn3C1)CCO2 58300253 OJDVQOHIBGLKIS-HOCLYGCPSA-N 312.417 2.655 0 40 DFAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)[C@H]1CCCO1 27911716 JMWYAEOREBUSJW-DGCLKSJQSA-N 304.415 2.913 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC3(CC2)OCCO3)o1 45075007 ZKZDFJOKCDPSKD-ZFWWWQNUSA-N 319.401 2.701 0 40 DFAB O=C(/C=C/c1cccs1)N1CCN(c2nccs2)CC1 10669405 OHZBXWCXDAVGCB-ONEGZZNKSA-N 305.428 2.567 0 40 DFAB CC(C)(C)c1nc2ccc(NC(=O)Cn3cncn3)cc2s1 72302983 QRFUPBQERAXLIW-UHFFFAOYSA-N 315.402 2.824 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)nc2)cc1 11610462 YAEXOKYAYZUJAN-LLVKDONJSA-N 302.330 2.505 0 40 DFAB Cc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)C(C)(C)C 37104532 QGVZFWFPFNFSHP-UHFFFAOYSA-N 317.433 2.696 0 40 DFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](C)NC(=O)c1ccoc1 48281916 DYPRVMHFHUCMNU-NEPJUHHUSA-N 318.348 2.757 0 40 DFAB O=C(NCc1cn2ccccc2n1)N[C@H]1CCc2ccccc21 54953719 VFUKGTGWSDVHCJ-INIZCTEOSA-N 306.369 2.821 0 40 DFAB CCN(CC)C[C@@H](NC(=O)c1cn[nH]c1C)c1ccccc1 95395664 BWSFZQVRFJSZOV-MRXNPFEDSA-N 300.406 2.531 0 40 DFAB CC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 3504274 WILZTVLXKRTKNX-UHFFFAOYSA-N 300.339 2.538 0 40 DFAB aggregator COc1cc2c(cc1[C@@H]1NC(=O)c3ccccc3N1)O[C@@H](C)C2 9157352 RJUMDRKDQLYBTP-BTDLBPIBSA-N 310.353 2.873 0 40 DFAB CCOc1ccccc1NC(=O)CCNC(=O)c1ccsc1 12975543 FJMVJYHAKSNIQQ-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O 12999633 NZCJVWZVCPQBTP-UHFFFAOYSA-N 305.717 2.704 0 40 DFAB COc1ccc(Br)cc1CN1CCC[C@H]1C(=O)O 3747809 QMJZHSBGUYVJOZ-NSHDSACASA-N 314.179 2.507 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 13170235 BDQVRWJHEVGBIL-SNVBAGLBSA-N 301.264 2.642 0 40 DFAB Cc1ccccc1N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 13856498 YRUZGGUXWLSQOY-AWEZNQCLSA-N 300.402 2.797 0 40 DFAB O=C(NCc1ccoc1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 65489952 NJKKFTOEMRTFHU-ZDUSSCGKSA-N 317.364 2.744 0 40 DFAB Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1CCC(C)C 5343062 MWWDAHKHWMBDLH-UHFFFAOYSA-N 311.385 2.904 0 40 DFAB COc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O 5362026 QZCWACLLRSKWLY-UHFFFAOYSA-N 302.717 2.963 0 40 DFAB CC(=O)N1CCCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 65608866 KCUHVXBZEDXPBH-ZBFHGGJFSA-N 308.466 2.920 0 40 DFAB Cc1cccc(NC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 95980132 AKRDLJZJERDLIP-OAHLLOKOSA-N 314.389 2.940 0 40 DFAB Cc1csc([C@@H]2CN(C[C@H](O)c3ccccc3)CCO2)n1 65462892 LHSMCXJQBDEULT-GJZGRUSLSA-N 304.415 2.558 0 40 DFAB COCCOc1c(Cl)cccc1NC(=O)N[C@H](C)COC 66968394 BZWMFMRNVKLUAC-SNVBAGLBSA-N 316.785 2.522 0 40 DFAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2ccc(F)cc2)C1 71798157 IDLWVGWNPXHEOH-INIZCTEOSA-N 315.348 2.640 0 40 DFAB O[C@H](CN1CCN(CC2CCCCC2)CC1)c1ccccc1 67648802 YMEYNDUUSHVMKS-LJQANCHMSA-N 302.462 2.918 0 40 DFAB COC[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc(C)o1 96445868 OLBPMKQZSZOCFU-SNVBAGLBSA-N 322.390 2.826 0 40 DFAB O=C(c1ccc(F)c(F)c1F)N1CCCC[C@@H]1c1nc[nH]n1 96494456 SOWUBHKHLMBXKW-SNVBAGLBSA-N 310.279 2.589 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc(C2CC2)no1 71876700 KPCHTUZXTAUTMT-CYBMUJFWSA-N 301.394 2.634 0 40 DFAB COc1cc(F)ccc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 71862750 LJYYYWQBIMOFNX-ZBFHGGJFSA-N 316.332 2.614 0 40 DFAB O=c1cc[nH]c2cc(Cl)c(I)cc12 71864324 WOCKEJPQIBCNFE-UHFFFAOYSA-N 305.502 2.786 0 40 DFAB COc1ccccc1CCN(C)C(=O)NCc1ccoc1C 71803932 QIFMHSFYSHLEDL-UHFFFAOYSA-N 302.374 2.981 0 40 DFAB C[C@@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl 69048020 KOCOVNFPZHHPOX-SNVBAGLBSA-N 315.822 2.758 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2C2CCCC2)cs1 83815595 UHSNVJTUDVJAHT-ZDUSSCGKSA-N 307.419 2.896 0 40 DFAB CCc1nnc(SCc2noc(-c3cccs3)n2)n1C 83834263 YFVAEBZQOQRQQU-UHFFFAOYSA-N 307.404 2.781 0 40 DFAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2coc(-c3ccccc3)n2)n1 71915462 NPYOQXGJOFCIJQ-CYBMUJFWSA-N 324.384 2.973 0 40 DFAB CC(C)[C@H](O)CNC(=O)Nc1cccc(-c2nccs2)c1 71921132 WMKFPDIPSUMLHI-CYBMUJFWSA-N 305.403 2.949 0 40 DFAB O=C1Cc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc2N1 9689935 QUBHNZNETRNTIH-LBPRGKRZSA-N 315.398 2.896 0 40 DFAB Cc1ncc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)s1 84155470 MRBJRNUPHBXKLN-UHFFFAOYSA-N 323.368 2.998 0 40 DFAB COc1cccc(CN(C[C@H]2CCCO2)c2ncc(F)cn2)c1 97021368 NBBQAMJCOBEOHP-MRXNPFEDSA-N 317.364 2.810 0 40 DFAB CC(=O)c1ccc(NC(=O)NCCCn2ccnc2)cc1Cl 97084171 UJZDOVJMAVALTD-UHFFFAOYSA-N 320.780 2.951 0 40 DFAB CN(C)C1(CN[C@@H]2CCCc3cc(F)ccc32)CCOCC1 97033346 QSZYZEYHJSECAM-QGZVFWFLSA-N 306.425 2.904 0 40 DFAB COc1c([C@H]2CCCN2C[C@H](O)c2ccccc2)c(C)nn1C 72253702 MADYBCYGPJZGMX-CVEARBPZSA-N 315.417 2.608 0 40 DFAB CC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 89104591 AWRYFNQZTKBWCA-INIZCTEOSA-N 321.221 2.829 0 40 DFAB COc1ccsc1S(=O)(=O)NCc1ccc(C)c(F)c1 89643388 YSMAXOMDHZCSPX-UHFFFAOYSA-N 315.391 2.683 0 40 DFAB COc1cccc(S(=O)(=O)N2CC[C@@H](c3ccsc3)C2)c1 670436795 SWDSDNYQVURZDA-GFCCVEGCSA-N 323.439 2.935 0 40 DFAB O=C1CC[C@@H](Nc2ncnc3sc4c(c23)CCCC4)CCN1 521394814 NCKXZMSGUDFCAR-SNVBAGLBSA-N 316.430 2.651 0 40 DFAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)NC1CCCCC1 6064599 XVSAYTCETQLDBU-SNVBAGLBSA-N 310.781 2.729 0 40 DFAB O=C([C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCCC1 306139388 SVZWUMDWMZKURD-LLVKDONJSA-N 301.415 2.866 0 40 DFAB CC[C@@H](NS(=O)(=O)c1c(C)nn(CC)c1C)c1ccccc1 72239052 MMKLUFWGJCSUNV-OAHLLOKOSA-N 321.446 2.949 0 40 DFAB COCc1noc([C@@H](C)Nc2cnn(-c3ccccc3)c2C)n1 126464746 GPNPRYGZRCWSSF-LLVKDONJSA-N 313.361 2.883 0 40 DFAB C[C@](CO)(NCc1nc(-c2ccccn2)no1)C1CCCCC1 77655618 RIOZKMIZYUOQGM-QGZVFWFLSA-N 316.405 2.553 0 40 DFAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2)cc1Cl 72227887 JZUFLSSYXQOLRD-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccccc2CO)C1 228909717 QVVRULAPEHGUFZ-CYBMUJFWSA-N 306.406 2.530 0 40 DFAB CN1c2ccccc2C(=O)N[C@@H]1c1cn2cc(Cl)ccc2n1 63494820 XRKIMGTUNZXTKB-HNNXBMFYSA-N 312.760 2.866 0 40 DFAB CC1=CCC[C@@H](C)[C@@H]1CN1CCC(C(=O)N2CCOCC2)CC1 195575756 CYWPNVHLTHTULL-SJLPKXTDSA-N 320.477 2.550 0 40 DFAB Cc1cc([C@H](O)CCNC(=O)COc2ccccc2F)c(C)o1 85561402 FSDBHUQSAYXIOU-OAHLLOKOSA-N 321.348 2.654 0 40 DFAB COc1ccc([C@@H](C)NC(=O)COc2cccc(OC)c2)cc1 222792118 JGXYVVYXKLJBBU-CYBMUJFWSA-N 315.369 2.960 0 40 DFAB Cc1cccc2ncnc(N3CCC[C@@H](C(=O)NCC4CC4)C3)c12 80772817 SCNRBYQIOMCNAD-OAHLLOKOSA-N 324.428 2.681 0 40 DFAB Cc1ccc(/C=C/C(=O)NC[C@](C)(O)c2cc(C)oc2C)o1 80899099 KDBPLBLSVSCBHJ-OZSKJFCKSA-N 303.358 2.835 0 40 DFAB Cn1ncc2c1N=C(O)C[C@H]2c1cc(Cl)c2c(c1)OCO2 49546250 RHHZGEJVBJKAFN-QMMMGPOBSA-N 305.721 2.926 0 40 DFAB CC[C@H](C(=O)NCc1cc(C)nc(N(C)C)n1)c1ccccc1 190665818 SAEHATFQEPOQMR-INIZCTEOSA-N 312.417 2.661 0 40 DFAB C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccc2ncsc2c1 330133249 LUECQJPFNTVOPJ-VIFPVBQESA-N 312.398 2.999 0 40 DFAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2COCCO2)o1 96433254 WXCAZJRPFWYPFM-INWMFGNUSA-N 307.390 2.557 0 40 DFAB C[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H]1c1cccc(F)c1 96445566 MBFFZAUVBHQMTD-MLGOLLRUSA-N 320.408 2.898 0 40 DFAB c1cc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)ccn1 96042197 MGCPAHUJWWSBOD-OKZBNKHCSA-N 314.385 2.623 0 40 DFAB CCn1cnnc1C1CCN(c2ccc(OC(F)F)cn2)CC1 91014069 VFRKEYHCVFRDFZ-UHFFFAOYSA-N 323.347 2.678 0 40 DFAB CC(C)=C[C@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)C1(C)C 583623961 IQNHHOGETMVRLT-CAOSSQGBSA-N 317.433 2.605 0 40 DFAB CCOCc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)c1 96481194 MJUYZNUSZFEMHC-SQNIBIBYSA-N 316.445 2.760 0 40 DFAB Cc1nc([C@H]2COCCN2C(=O)Cc2ccsc2)cs1 96218435 XHXMRDWFNSXSGT-CYBMUJFWSA-N 308.428 2.656 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2cccc(C)c2Cl)n1 96502842 BWEPXIUDPQBREI-UHFFFAOYSA-N 311.794 2.856 0 40 DFAB c1csc(CN2CC[C@]3(COCCN(CC4CC4)C3)C2)c1 96062413 IDHQYFZUAFOSBC-KRWDZBQOSA-N 306.475 2.682 0 40 DFAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ccoc3C)CC2)N1C 96207589 DUNDKCFCPWUYSC-HNNXBMFYSA-N 320.433 2.694 0 40 DFAB CN(C)C[C@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 248133940 RAUQNVMHZHGDST-INIZCTEOSA-N 304.825 2.655 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 244021934 SPNIFMLWRILKSE-ZIAGYGMSSA-N 318.417 2.741 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccc(C)cc1 257213867 CJJXRUGQSUXEFL-AEFFLSMTSA-N 314.429 2.917 0 40 DFAB Cc1ccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)cc1 257227099 FNQKRUZFDPCANE-UHFFFAOYSA-N 320.396 2.569 0 40 DFAB CCN(C(=O)c1ccnc(C(=O)O)c1)[C@@H](C)Cc1ccsc1 263061605 SSTSTEBQXDCYFV-NSHDSACASA-N 318.398 2.935 0 40 DFAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ncccn1 90592786 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XUVIZJKTCLQPSX-CQSZACIVSA-N 323.356 2.744 0 40 DFAB CN(C[C@H]1CCCO1)C(=O)c1ccc(F)c(Br)c1 96430848 CEKMDXCXNQAKIC-SNVBAGLBSA-N 316.170 2.839 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)cc1C 13439722 HOVXILMGCDZAOJ-UHFFFAOYSA-N 313.353 2.948 0 40 DFAB COCCCNC(=O)c1ccccc1NC(=O)C1CCCCC1 13686688 KQLBMPAHZDSWOL-UHFFFAOYSA-N 318.417 2.972 0 40 DFAB CCn1cc(-c2cc(O)n3ncc(-c4ccccc4)c3n2)cn1 19525130 BAUOZUCZHIYXFS-UHFFFAOYSA-N 305.341 2.985 0 40 DFAB COc1cc(/C=C/C(=O)Nc2nnc(C)s2)cc(OC)c1 8326630 HBJMCAMNVURIBC-SNAWJCMRSA-N 305.359 2.516 0 40 DFAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3ncc(C)s3)n2)C1 643550458 IEZIKVLZJMTOSV-GFCCVEGCSA-N 317.418 2.711 0 40 DFAB Cc1nc2cccnc2n1C1CCN(C(=O)c2cccnc2)CC1 12145387 FCNCPVURJBVGNA-UHFFFAOYSA-N 321.384 2.612 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c(C)noc2C)c1 26878860 RCHQGXLTRGBZOA-UHFFFAOYSA-N 308.403 2.729 0 40 DFAB CC(C)=CCn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O 1888859882 GFWKJULZATZILC-UHFFFAOYSA-N 304.777 2.678 0 40 DFAB COc1cccc(S(=O)(=O)c2cc3ccccc3oc2=O)c1 1889108972 WRCHBRIIMAIGDG-UHFFFAOYSA-N 316.334 2.634 0 40 DFAB COc1ccc2cc([C@@H](C)C(=O)O[C@H](C)C(=O)O)ccc2c1 2061000036 VQYOGLFXMSESFX-GHMZBOCLSA-N 302.326 2.968 0 40 DFAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(F)c(F)c1 9981832 KNIIJYSQXLLDKA-UHFFFAOYSA-N 308.328 2.910 0 40 DFAB O=C(c1cc2ccccc2o1)N1CC(COc2cccnc2)C1 1775967794 DOHNPRUVIUKKCK-UHFFFAOYSA-N 308.337 2.979 0 40 DFAB CC1(C)[C@@H](C(=O)NCc2ccc(F)cc2)CC[C@@]1(C)C(=O)O 2298188686 ODONBJVKOSENAC-DYVFJYSZSA-N 307.365 2.969 0 40 DFAB Nc1c(-c2ccccn2)c2cc(Br)ccc2[nH]c1=O 39270377 DVLDFOLKYISENR-UHFFFAOYSA-N 316.158 2.935 0 40 DFAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1Cl 100452093 DBAPOUONWZJLLU-WNSRNUENSA-N 305.761 2.785 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)c(C)c1 31727363 CJFPRWDDRCVRDC-SECBINFHSA-N 319.279 2.688 0 40 DFAB O=C(OCc1csnn1)c1ccc(F)cc1Br 32915482 YDWKWCYANFIWMC-UHFFFAOYSA-N 317.139 2.797 0 40 DFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1ccsc1 102147622 VMYKNXXLAZMSSN-MBNYWOFBSA-N 309.431 2.775 0 40 DFAB COc1ccccc1CCNC(=O)[C@H](C)OCc1ccccc1 32913860 QBLFEHCMRUUDGT-HNNXBMFYSA-N 313.397 2.959 0 40 DFAB O=C(O)CC[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 52944314 ZLQYFSOEUCEGAJ-GFCCVEGCSA-N 309.793 2.986 0 40 DFAB Cc1c(NC(=S)NC(=O)c2ccccc2)cccc1C(=O)O 569948 BIDKNURPAWRYMN-UHFFFAOYSA-N 314.366 2.820 0 40 DFAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCSCC3)c12 53818309 MMIVAQCFRBTBEH-UHFFFAOYSA-N 318.446 2.589 0 40 DFAB CCSCCC(=O)NCCC(=O)N1CCCc2ccccc21 53857560 XBYIRYCNWCCZKC-UHFFFAOYSA-N 320.458 2.615 0 40 DFAB C[C@H](NC(=O)CN1CCCCCC1=O)c1cccc(Cl)c1 23711912 CAAFIQNGSCHLJN-LBPRGKRZSA-N 308.809 2.920 0 40 DFAB CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 54661611 QNDJIUQVTWGPTG-CYBMUJFWSA-N 315.373 2.797 0 40 DFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccc1 3007449 ZYBBIIRVWZWXMA-UHFFFAOYSA-N 319.320 2.781 0 40 DFAB COC(=O)CCCN1CCC[C@@H]1c1cccc2c1OCCO2 78760746 MBZJFASNBCUYAM-CQSZACIVSA-N 305.374 2.548 0 40 DFAB COc1cccc(C(Nc2nncs2)Nc2nncs2)c1 1590495 NXCLQIMZBRRXIG-UHFFFAOYSA-N 320.403 2.621 0 40 DFAB CCCCNC(=O)NCC1(c2cccc(F)c2)CCOCC1 55084700 XYUIMTKWBDKBOI-UHFFFAOYSA-N 308.397 2.973 0 40 DFAB CCc1nc(CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)cs1 47776727 VZXZNNCIQBCLHM-GASCZTMLSA-N 310.463 2.866 0 40 DFAB S=C(NCCCn1ccnc1)NC12CC3CC(CC(C3)C1)C2 4808921 YIUHBVYCTUBMRX-UHFFFAOYSA-N 318.490 2.706 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cc1 6316509 KZPHHZHPHXDYPU-UHFFFAOYSA-N 323.370 2.513 0 40 DFAB Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6742179 IMDFZIJZZVRMEW-HSZNGYFJSA-N 301.386 2.919 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCc1ccc(Cl)cc1 6742358 VFPBSKPRXHYBFY-OSRDXIQISA-N 319.788 2.522 0 40 DFAB COc1ccc(CNC(=O)c2noc3c2C[C@@H](C)CC3)cc1 7000179 GDTAQXXWMYUISN-NSHDSACASA-N 300.358 2.738 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1csc(C2CC2)n1 84736412 NAGSSPVGADPGBU-IUODEOHRSA-N 307.463 2.757 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2cccc(F)c2)C1 8699246 NUVNFNVJYJQLRA-CHWSQXEVSA-N 309.337 2.861 0 40 DFAB CCCN(CCc1ccccn1)S(=O)(=O)c1cccs1 57924542 ZILUOYCAYZTMCX-UHFFFAOYSA-N 310.444 2.787 0 40 DFAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C 58014210 MOXBKTBIQFIZDX-SNVBAGLBSA-N 321.402 2.534 0 40 DFAB COc1ccccc1CN1CCC(NC(=O)C=C(C)C)CC1 58263848 BJNLZBYOSSZWAP-UHFFFAOYSA-N 302.418 2.742 0 40 DFAB CS(=O)(=O)c1ccc(CNc2cnc3ccccc3n2)cc1 44975962 WGKCMJGOEZHIDO-UHFFFAOYSA-N 313.382 2.645 0 40 DFAB CCc1nc2c(s1)[C@@H](N[C@@H]1CCCN(C(=O)OC)C1)CCC2 95421602 BUTMEKLYDDMAQH-NEPJUHHUSA-N 323.462 2.903 0 40 DFAB CCCc1nn2c(=O)cc(COc3ccc(C)cc3)nc2s1 20859059 FNXFAVLQLZEJFQ-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 27967101 IDSHIUYFDRMTKM-CZUORRHYSA-N 308.447 2.847 0 40 DFAB CCc1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)s1 10413115 CTVUFONDWSGCDI-UHFFFAOYSA-N 313.386 2.847 0 40 DFAB Cc1cnc(CCNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)s1 95995053 VXPDZGPUPKXCMV-LLVKDONJSA-N 311.451 2.639 0 40 DFAB C[C@H](NC(=O)N[C@@]1(C)CCOC1)c1cc(F)c(F)c(F)c1 95975363 NTHSMGRGTMEWQY-RTHLEPHNSA-N 302.296 2.643 0 40 DFAB COc1cccc(OC)c1C(=O)NCCN(C)c1ccccc1 10113699 DWYCKCFHNBZSRH-UHFFFAOYSA-N 314.385 2.570 0 40 DFAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3CCCS3)c2O1 95965003 ZNEWQVVPRGHHQL-ZDUSSCGKSA-N 321.442 2.791 0 40 DFAB CC(C)C[C@@H](CCO)CNC(=O)c1cc(F)c(F)c(F)c1 84457027 HAHMAULZOXCDRQ-SNVBAGLBSA-N 303.324 2.878 0 40 DFAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C(=O)O)C(C)C 178159659 CXTIAXFEJVPMLW-MRXNPFEDSA-N 312.369 2.896 0 40 DFAB O=C1NC2(CCCCCC2)C(=O)N1CCOc1ccccc1 3362869 KRYFXKTXPFVAGA-UHFFFAOYSA-N 302.374 2.710 0 40 DFAB O=C(CCCCc1nc2ccccc2s1)N1CCOCC1 48310603 DEIIAFRZELUBAD-UHFFFAOYSA-N 304.415 2.868 0 40 DFAB CCOC(=O)Cn1nc(C2=NN=C(C(C)C)C2)cc1C(C)C 68603799 NSBXZAQTZZRVDD-UHFFFAOYSA-N 304.394 2.774 0 40 DFAB COC(=O)[C@H](C)N(C(=O)/C=C/c1cncc2ccccc12)C1CC1 84545006 HBBVLIFURKLQJI-RSPDNQDQSA-N 324.380 2.801 0 40 DFAB O=C(COC1CCCC1)N1CCC[C@@H]1c1noc(C2CC2)n1 84543869 NOXBGNCXTJTVRH-CYBMUJFWSA-N 305.378 2.570 0 40 DFAB CC(C)(C)OC(=O)N1CCC(NCCc2ccccc2N)CC1 117193234 FLFARFJZMXUALY-UHFFFAOYSA-N 319.449 2.800 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1ccc(F)cc1)c1ccccc1 3510892 UVAUBUYZVJRFSB-GFCCVEGCSA-N 301.317 2.860 0 40 DFAB CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 48622048 PBGXZNRWZDEHIU-UHFFFAOYSA-N 317.233 2.923 0 40 DFAB CC[C@H](C)[C@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)C1CC1 65566068 JHJPHVSZGXIGSV-GWCFXTLKSA-N 315.421 2.780 0 40 DFAB Cc1cccc(NC(=O)C2CCN(Cc3ccccn3)CC2)n1 65503756 PBSYQQPDYRSYAA-UHFFFAOYSA-N 310.401 2.636 0 40 DFAB C[C@@H](NC(=O)c1cnn[nH]1)C(c1ccccc1)c1ccccc1 65552237 AZXPCDZPWAKYIL-CYBMUJFWSA-N 306.369 2.755 0 40 DFAB C[C@@H](OC(=O)Cc1ccsc1)c1nc2ccccc2c(=O)[nH]1 5358216 WHFNPZIOGRYSMQ-SNVBAGLBSA-N 314.366 2.832 0 40 DFAB COc1ccc(C)cc1NC(=O)CCCn1c(C)csc1=O 9387522 JSLXYIDWPKQKOE-UHFFFAOYSA-N 320.414 2.954 0 40 DFAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)cc1C 83542138 SAXHHQFVUHQREH-CYBMUJFWSA-N 303.341 2.691 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)s1 15194824 CZHDAVGGTNFDMI-UHFFFAOYSA-N 316.338 2.857 0 40 DFAB CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 15565909 MNYDAFWEYKWYHD-UHFFFAOYSA-N 319.364 2.619 0 40 DFAB CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCC(=O)NC2)cc1 96414380 YZSZAGLTUZHAHC-CJNGLKHVSA-N 302.418 2.698 0 40 DFAB C[C@H](NC(=O)CSc1ccccn1)c1ccc2c(c1)OCO2 7700017 VMXSGQRRUDWMFZ-NSHDSACASA-N 316.382 2.780 0 40 DFAB O=C(COC(=O)C1(c2ccccc2)CCC1)NC1CCCC1 16376101 RDPWUMPNQFRHJL-UHFFFAOYSA-N 301.386 2.710 0 40 DFAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCC12CCC2 81416123 NYYIKAFTGYHKOV-UHFFFAOYSA-N 310.195 2.818 0 40 DFAB CCc1noc(CNC2(c3ccc(F)cc3)CCOCC2)n1 71886840 KQNZHXAKBHJTGH-UHFFFAOYSA-N 305.353 2.567 0 40 DFAB C[C@@H](Nc1cccc(CO)c1)C(=O)N(C)Cc1cccc(F)c1 71808377 UMIYVJLWKIMDQB-CYBMUJFWSA-N 316.376 2.777 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1Cc1ccno1 71897022 NOJWSLWMOKWOHM-OAHLLOKOSA-N 321.327 2.946 0 40 DFAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCN1CCCC1=O 71897388 INGVWRQLQBZBHW-XJKSGUPXSA-N 322.836 2.724 0 40 DFAB COC(=O)c1ccc(N(C)Cc2c(F)cccc2Cl)nn1 71810504 YVABYRHWNFVYAI-UHFFFAOYSA-N 309.728 2.692 0 40 DFAB CCC(=O)N1CC[C@@H](N[C@@H](c2ccc(OC)cc2)C(C)C)C1 91371213 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314.044 2.965 0 40 DFAB O=C(NCc1cccnc1)Nc1ncn(C2CCCCC2)n1 97375501 RTNNYWUWWMXQBH-UHFFFAOYSA-N 300.366 2.500 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)CCCN2C 96434326 VVSYWFYZAKSCOQ-OAHLLOKOSA-N 303.406 2.712 0 40 DFAB COC[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)CN1C 96208141 SUEYMKVBDXJKTH-QGZVFWFLSA-N 318.461 2.628 0 40 DFAB CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1cccnc1C 331263137 NKUAKMDZGBEJDS-UHFFFAOYSA-N 317.433 2.638 0 40 DFAB CCc1nnc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)s1 95437882 NAHBDOVBXNRMBE-KOLCDFICSA-N 318.402 2.787 0 40 DFAB C[C@H]1OCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 90723610 AGLIWORZXFKCGN-KDOFPFPSSA-N 305.418 2.649 0 40 DFAB c1csc(CN2CCC3(CC2)COCCN3CC2CC2)c1 96048912 KCABFLVUTDZBGT-UHFFFAOYSA-N 306.475 2.825 0 40 DFAB COC(=O)c1ccc2cc(I)ccc2n1 98210024 SSWWTQVMENCIJA-UHFFFAOYSA-N 313.094 2.626 0 40 DFAB C[C@@H](C(=O)NCCc1nncn1C1CC1)c1cc2ccccc2o1 96451277 CUPXEQACPORPQJ-GFCCVEGCSA-N 324.384 2.822 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)N1CCC(OCC2CC2)CC1 96439614 ZAXJNOZUQDWSKR-MRXNPFEDSA-N 316.401 2.721 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1ccc2[nH]cnc2c1 257250083 JKYVFEMTEBJXPT-HNNXBMFYSA-N 309.373 2.962 0 40 DFAB Cc1cnc(NC(=O)c2cc([C@H]3CCCN3C)ccn2)s1 257291971 QJLMCSIXAPLLND-CYBMUJFWSA-N 302.403 2.866 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCC[C@H](c2ccncn2)C1 257202021 AKDTTXOTEQEHNC-HNNXBMFYSA-N 313.376 2.955 0 40 DFAB O=C(NCC1CCC1)c1cccn(Cc2ccccc2F)c1=O 257287609 PQRSLAPEXPHYQH-UHFFFAOYSA-N 314.360 2.566 0 40 DFAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCNC2)o1 257221641 DPYVBVNTRSIKBT-KBPBESRZSA-N 320.437 2.636 0 40 DFAB Cc1cccc(NC(=S)NCCCN2CCC[C@H](C)C2)n1 260732844 BXQSQYTYDBCXFS-ZDUSSCGKSA-N 306.479 2.798 0 40 DFAB CN1C(=O)CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 571264900 VQGQVMGUKBHTPX-CABCVRRESA-N 306.365 2.800 0 40 DFAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)on1 72295341 NCUHJMOFEBWKPU-PWSUYJOCSA-N 318.377 2.899 0 40 DFAB O=C(NCCn1ccnn1)Nc1ccc2c(c1)oc1ccccc12 96007941 WONKZTUSERAGKR-UHFFFAOYSA-N 321.340 2.999 0 40 DFAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CC1(C)OCCO1 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301.339 2.773 0 40 DFAB COCCC1(CNC(=O)NC[C@@H]2CCCS2)CCCC1 89410179 OXMYVPWPGFLHFW-ZDUSSCGKSA-N 300.468 2.778 0 40 DFAB COc1ccc([C@H](NC(=O)c2ccc(C)[nH]c2=O)C(C)C)cc1 75120946 AELIVMLFYGDWGE-MRXNPFEDSA-N 314.385 2.819 0 40 DFAB CN(C(=O)OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 306633356 RBWLSYLQBKTSLF-UHFFFAOYSA-N 320.389 2.874 0 40 DFAB C[C@H](Cc1ccsc1)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 76021059 HVPSEXFQKMPUBI-CABNGKKXSA-N 308.447 2.792 0 40 DFAB O=C(O)CCn1cc(C(=O)O)c(-c2ccc3ccccc3c2)n1 27642669 UFNYZYGMBQWZCE-UHFFFAOYSA-N 310.309 2.876 0 40 DFAB CCOCCCNCC(=O)Nc1ccccc1N1CCCCC1 35311478 AUEMDOVGQJVECO-UHFFFAOYSA-N 319.449 2.632 0 40 DFAB O=C(O)c1cc(Br)c(OCc2cccnc2)cc1O 216933635 KDMRQYHFJLANPV-UHFFFAOYSA-N 324.130 2.827 0 40 DFAB Fc1ccc(CNc2cncc(CC[C@H]3CCCN3)n2)cc1 72364770 YBVIMGVJYUSRAX-OAHLLOKOSA-N 300.381 2.912 0 40 DFAB CC[C@@H](C(=O)N1CC[C@H](Oc2cnsn2)C1)c1ccccc1 669512553 GENDATRIILETHK-UONOGXRCSA-N 317.414 2.712 0 40 DFAB CCOC(=O)[C@H](N)[C@]1(N2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 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313.401 2.611 0 40 DFAB Cc1ccccc1C(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575606669 RKHUMXMOCKXIFR-CYBMUJFWSA-N 317.776 2.732 0 40 DFAB CN1CC[C@@H](COc2ccccn2)CC12CN(CC1CCC1)C2 585102621 CNGOYQLSARKOOW-QGZVFWFLSA-N 315.461 2.657 0 40 DFAB Cc1cc(OC[C@H]2CCCN(Cc3cc(C)no3)C2)ccn1 1776000552 SHWMVPDCEBQHSQ-HNNXBMFYSA-N 301.390 2.977 0 40 DFAB C[S@@](=O)c1ccc(CNC(=O)NCC2(C)CCCC2)cc1 80124855 NRNLITBMFNNCJV-NRFANRHFSA-N 308.447 2.804 0 40 DFAB FC(F)(F)c1nnc2ccc(N(CC3CC3)CC3CC3)nn12 84429160 VRLZPUJJGZIFPT-UHFFFAOYSA-N 311.311 2.770 0 40 DFAB COc1cc(F)cc(CNC(=O)N[C@H]2CC[C@H](SC)C2)c1 94037021 VVYAUVFPKCFAAD-JSGCOSHPSA-N 312.410 2.918 0 40 DFAB COC(=O)c1ccccc1OCC(=O)Nc1ccc(F)cc1 5654785 MWKDKRQGQVXKDJ-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C1COCC(=O)N1c1ccc(-c2ccc(Cl)cc2)cc1 5675914 OPRSJJSERILKQD-UHFFFAOYSA-N 301.729 2.897 0 40 DFAB COc1cc(C)cc(C(=O)C2=NNC[C@H]2c2ccccc2)c1O 5734728 XZNWSHLSVOUMIA-AWEZNQCLSA-N 310.353 2.635 0 40 DFAB Cc1ccc(-c2nnc(CN3C(=O)c4ccccc4C3=O)o2)cc1 12776685 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58208649 IQLPTTVMYVBKDH-NTUHNPAUSA-N 315.354 2.670 0 40 DFAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc[nH]c1=O 58280416 ZNMZIRGDUAVRPV-UHFFFAOYSA-N 309.325 2.601 0 40 DFAB CCN(CC)c1ccc(NC(=O)C[C@@](C)(O)C(F)(F)F)cn1 58325907 UETLCKYXMQTCBW-CYBMUJFWSA-N 319.327 2.570 0 40 DFAB CCn1cnnc1CNC(=O)CCOc1ccc(C(C)C)cc1 58328813 YUDOZVUMVWYJLA-UHFFFAOYSA-N 316.405 2.507 0 40 DFAB Cc1oc(C)c(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c1C 10580995 RQSGDPBNEYAZCO-AWEZNQCLSA-N 305.305 2.727 0 40 DFAB Nc1cccc(CNS(=O)(=O)c2cccc(Cl)c2F)c1 36233429 QASDKNKELRPGKA-UHFFFAOYSA-N 314.769 2.540 0 40 DFAB C/C(=C\c1ccc(Cl)cc1)C(=O)NC(C)(C)C(=O)N(C)C 95442846 FJXARMXFAAUXQB-ZHACJKMWSA-N 308.809 2.726 0 40 DFAB O=S(=O)(c1ccc(N2CCCCCC2)nc1)N1CCCCC1 28939674 OFHQDPQYZOBCHS-UHFFFAOYSA-N 323.462 2.637 0 40 DFAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1CCCO1 28306170 WFJPEISUOBQPRA-AWEZNQCLSA-N 305.765 2.702 0 40 DFAB CCOc1ccc(-c2noc(CN3C[C@@H](C)OC[C@@H]3C)n2)cc1 45785751 ORHABBUFSMVTBN-QWHCGFSZSA-N 317.389 2.745 0 40 DFAB Cc1ncc(CN(C)C(=O)Nc2ccc3c(c2)OCO3)s1 47318333 ZXYSNSSQOOBWIO-UHFFFAOYSA-N 305.359 2.844 0 40 DFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCC2)c(F)c1 48137906 SYNKRTDLVISYSD-ZDUSSCGKSA-N 307.369 2.726 0 40 DFAB COc1ccccc1CNC(=O)COC(=O)c1sccc1C 3313920 KLLFJIAKUFMPHJ-UHFFFAOYSA-N 319.382 2.538 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3388354 NJPOLRFYIZUTPG-UHFFFAOYSA-N 309.365 2.737 0 40 DFAB CC[C@@H](C)NC(=O)COC(=O)c1cc2ccccc2cc1O 3442599 XNJVMXWIYJKBHV-LLVKDONJSA-N 301.342 2.617 0 40 DFAB Cn1c(=O)oc2c(C(=O)OCCSC(C)(C)C)cccc21 95441502 BYMKNWRWCSEVLV-UHFFFAOYSA-N 309.387 2.820 0 40 DFAB COc1ccccc1OCCNC(=O)COc1ccccc1C 3459112 SERKCMGDEIYDRO-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)OCCO2 23594651 XPWGPQMOEKCTIX-UHFFFAOYSA-N 313.353 2.739 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1scnc1C)c1cccs1 48545755 XHXYJRBSWNTQND-SECBINFHSA-N 310.400 2.547 0 40 DFAB Cn1c(-c2ccc(NS(C)(=O)=O)cc2)nc2ccccc21 97164226 KWRSCSLFIJAGLW-UHFFFAOYSA-N 301.371 2.612 0 40 DFAB CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13170514 BFJXDMCPISIXIH-CQSZACIVSA-N 305.374 2.802 0 40 DFAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 4124954 SLYZKUXESZTYJH-CQSZACIVSA-N 314.414 2.950 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1ccc3c(c1)CCCC3)C2 65466690 WAMOWELCMYHZSW-GOSISDBHSA-N 323.440 2.744 0 40 DFAB O=c1c(Cl)c(Cl)cnn1CN1CCc2ccccc2C1 14138044 KJBBRGPGWWRXMW-UHFFFAOYSA-N 310.184 2.566 0 40 DFAB Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCCCC3)cc12 4675285 FFNOUTOSYQDPIG-UHFFFAOYSA-N 323.370 2.614 0 40 DFAB CCCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 6759676 FAKSLANWEKLGIV-OAHLLOKOSA-N 302.374 2.860 0 40 DFAB CC(C)Cn1cc(NC(=O)c2cc(F)c(F)c(O)c2F)cn1 97374636 VOMFJBMOYLTHJZ-UHFFFAOYSA-N 313.279 2.914 0 40 DFAB C[C@H](OC(=O)C1=COCCO1)C(=O)c1ccc(C(C)(C)C)cc1 6946221 WOWNQBQZZJQEKQ-LBPRGKRZSA-N 318.369 2.987 0 40 DFAB COCCn1nc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 90154938 IRFCFRUKQUUVSN-RYUDHWBXSA-N 308.426 2.656 0 40 DFAB COc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1F 7285770 YBSOFZWJFCKKEO-UHFFFAOYSA-N 303.333 2.952 0 40 DFAB CNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)c2ccccc2O1 7252501 FIPANPYASRWCIQ-INIZCTEOSA-N 316.788 2.854 0 40 DFAB COC(=O)c1sccc1NC(=O)c1ccc(NC(C)=O)cc1 15606458 UINDOEKTEDSXNK-UHFFFAOYSA-N 318.354 2.745 0 40 DFAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC(N)=O 7544705 SKHPFSAUIDMDEE-RXMQYKEDSA-N 315.807 2.625 0 40 DFAB C[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCOC2=O)C1 71857098 WEHLHMCDMZQWLQ-GFCCVEGCSA-N 303.362 2.907 0 40 DFAB Cc1c(C(=O)NC2CCC(C)CC2)sc2ncn(C)c(=O)c12 16052908 HYLJZHXRFZHWGU-UHFFFAOYSA-N 319.430 2.612 0 40 DFAB Cc1ccc2nc(Cn3ncc(Cl)c(Cl)c3=O)cn2c1 7738468 QRPMVKBVPSKQSJ-UHFFFAOYSA-N 309.156 2.555 0 40 DFAB Cc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C 7728766 TWONPBCEKZBDLL-UHFFFAOYSA-N 324.490 2.704 0 40 DFAB Cc1cccc(NC(=O)CN(C)Cc2nc3ccccc3o2)n1 69419208 VPCIHBKCMCEWAQ-UHFFFAOYSA-N 310.357 2.602 0 40 DFAB CCC(CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 95399309 FWIZEXHSYVSFJP-CVEARBPZSA-N 306.450 2.672 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 17948827 CUIWXHFPAJUVNX-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB O=C(Nc1ccccc1Cl)C1CCN(c2ncccn2)CC1 9048110 IBHWJCBDOMQDFR-UHFFFAOYSA-N 316.792 2.985 0 40 DFAB CN(C)C(=O)c1ccnc(NCc2ccc(-n3cccn3)cc2)c1 97011922 UXSZYNZVJNMNHP-UHFFFAOYSA-N 321.384 2.581 0 40 DFAB CCOc1cc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)ccc1C 84804992 YDDIEDMRDMYZOY-QFIPXVFZSA-N 324.446 2.769 0 40 DFAB N[C@H](CC(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 88420733 HFPCXGCQKGMLIJ-CYBMUJFWSA-N 300.324 2.877 0 40 DFAB CS(=O)(=O)c1ccccc1N1CCC[C@H](c2nccs2)C1 95994721 VJUUQRFIPLTRGB-LBPRGKRZSA-N 322.455 2.931 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccccc2)c1 9903608 VNHMDXOMDZKTPW-UHFFFAOYSA-N 309.369 2.638 0 40 DFAB Cc1nnc2ccc(N[C@H](C)c3cccc(-n4cccn4)c3)nn12 75062900 ALLPOJXEYCNUCY-GFCCVEGCSA-N 319.372 2.792 0 40 DFAB O=C(Nc1ccccn1)N[C@H]1CCN(c2ncccc2Cl)C1 89883867 HNVPQQJEJXATAT-NSHDSACASA-N 317.780 2.530 0 40 DFAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 76249378 OUQHGCFNARCIHX-ZBFHGGJFSA-N 321.442 2.822 0 40 DFAB Cn1cccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O 409095859 ISTMPFZEQLOJEJ-ZROIWOOFSA-N 315.760 2.771 0 40 DFAB C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@H](F)CC[C@@]43C)[C@@H]1CCC2=O 123369319 PZCDECBEYLOJKW-BGAJPCANSA-N 324.436 2.878 0 40 DFAB CCS[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cc(C)no1 189523274 QENHRZCDOJUIIV-YNEHKIRRSA-N 311.451 2.964 0 40 DFAB Cc1ccc([C@H]2[C@@H](C(=O)NC3CCCC3)CCC(=O)N2C)cc1 72239423 WDLOGAUZYLYPFT-WMZOPIPTSA-N 314.429 2.963 0 40 DFAB COC(=O)c1cc(F)ccc1CSc1nncn1C1CC1 69978413 GCOHIYWNZUUKCM-UHFFFAOYSA-N 307.350 2.831 0 40 DFAB O=C(CSc1nccc(O)n1)Nc1ccc(C(F)F)cc1 33654060 NVNGOWODQHZBJY-UHFFFAOYSA-N 311.313 2.851 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NCCOc1ccc(F)cc1 30863510 DBKVWZLTOVSPNS-CQSZACIVSA-N 317.360 2.926 0 40 DFAB CCN(Cc1nonc1C)C(=O)c1cc(Cl)ccc1OC 32611103 BDJOTFSFTZNULR-UHFFFAOYSA-N 309.753 2.702 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 41058319 LKEOUVJJIKMACK-GNFNDJEDSA-N 305.418 2.916 0 40 DFAB CN1C(=O)[C@](C)(C(=O)N2CCCCCC2)Sc2ccccc21 40774682 JWLZXFATKVMKHT-QGZVFWFLSA-N 318.442 2.916 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)n1 226852936 UOUUVRVAGNKJSN-AWEZNQCLSA-N 322.368 2.982 0 40 DFAB O=C(c1ccc(F)cc1)N1CCOC[C@H](Oc2ccccc2)C1 85435956 UAAAEIURAJFYIG-QGZVFWFLSA-N 315.344 2.746 0 40 DFAB biogenic,in-vitro Cc1noc(C)c1C(=O)NC[C@H](O)c1csc2ccccc12 225694975 XYADYHTWHUSTFO-ZDUSSCGKSA-N 316.382 2.970 0 40 DFAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 192676080 VTHRKGOJVGDWSZ-UHFFFAOYSA-N 318.323 2.782 0 40 DFAB Cc1ccc2nc(-c3ccnc(OC(F)F)c3)[nH]c(=O)c2c1 225746639 WACOIWFZDDPTKD-UHFFFAOYSA-N 303.268 2.895 0 40 DFAB CCOCCCC(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 96414125 HCLJECIHWKKWGD-CQSZACIVSA-N 306.406 2.667 0 40 DFAB CC[C@H](CC(=O)N(C)C1CCS(=O)CC1)c1ccccc1 96446825 CIVJHYBSRMLFBL-HXJYWVFZSA-N 307.459 2.940 0 40 DFAB CC(C)C[C@H](N[C@H]1CC[C@H](C)C1)c1nc(-c2nc[nH]n2)no1 97035061 ZIZDLUOGQKDDBO-SRVKXCTJSA-N 304.398 2.720 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)Cc1cccc(O)c1 96440994 UNQGBCCQTLSLEV-LLVKDONJSA-N 303.333 2.960 0 40 DFAB CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@H]1CC=CCC1 96455027 CGIGQSUZMYEPDD-RCDICMHDSA-N 320.458 2.922 0 40 DFAB CC(C)Oc1ncnc2c1CCN(C(=O)c1ccsc1)CC2 96255641 KBVGNPDAQZLBSZ-UHFFFAOYSA-N 317.414 2.566 0 40 DFAB Cc1cc(COC(=O)c2ccn(C)c(=O)c2)c2ccccc2n1 96442144 XXSUEGPODPKZKX-UHFFFAOYSA-N 308.337 2.599 0 40 DFAB CC[C@](O)(CNCc1ncc[nH]1)c1ccc(Br)cc1 96473210 LYNRIJRJFMRILX-AWEZNQCLSA-N 324.222 2.560 0 40 DFAB O=C(Cn1ccccc1=O)Nc1cc(Cl)ccc1NC1CC1 96466397 BBNLDSUANFCVHL-UHFFFAOYSA-N 317.776 2.715 0 40 DFAB CCN1C(=O)CC[C@@H]2N(Cc3cscn3)CCCC[C@@]21C 257233933 GRKMCVXFJYEXBB-HOCLYGCPSA-N 307.463 2.899 0 40 DFAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)C1CCCCC1 257255117 KGDZEJCGPZUSLW-AWEZNQCLSA-N 303.406 2.567 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 257215012 COICOBVHYZANGU-HNNXBMFYSA-N 316.449 2.810 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)s1 257344489 ZXMQCTSTLORWOQ-AWEZNQCLSA-N 318.446 2.834 0 40 DFAB CCC(=O)N1CCC(c2nc(C)cc(-c3nc(C)c[nH]3)n2)CC1 257265041 LXARWVCEILENNQ-UHFFFAOYSA-N 313.405 2.600 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 257273706 NHUWZLCBKARNAL-AWEZNQCLSA-N 301.365 2.806 0 40 DFAB Cc1cc(C(=O)NC2(c3nc(C)cs3)CCC2)cc(O)n1 271949732 ISZSRSHBGIWSLP-UHFFFAOYSA-N 303.387 2.670 0 40 DFAB Cc1cc(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)c(C)o1 96024268 IHIXMNSEUWVKQR-UHFFFAOYSA-N 313.313 2.779 0 40 DFAB CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccc(F)cc1 585274848 PJJIEXOAYOSOLE-QAPCUYQASA-N 317.408 2.937 0 40 DFAB COC[C@H]1CN(Cc2ccco2)CC12CCN(C(C)C)CC2 585104278 XYNCVKPGGVYKCN-MRXNPFEDSA-N 306.450 2.848 0 40 DFAB c1ccc(OC[C@@H]2CN(Cc3ccco3)Cc3ccnn32)nc1 585112233 NGICBRGIHYBYQZ-HNNXBMFYSA-N 310.357 2.507 0 40 DFAB Cc1cccnc1NC(=O)NCc1cccnc1OC(C)C 46826980 XBEXOZVXDOVDEB-UHFFFAOYSA-N 300.362 2.894 0 40 DFAB Cc1ccc(-c2ccsc2C(=O)NCCC(=O)N(C)C)cc1 49331538 GWLSRIGFZMUANC-UHFFFAOYSA-N 316.426 2.932 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)N2CC[C@H](CC(C)C)C2)cc1 72505485 MYLJIHLWKHCFNN-OAHLLOKOSA-N 317.433 2.875 0 40 DFAB CSC1(CNC(=O)NCc2cc(C)oc2C)CCOCC1 76087515 TUSHSMPNYBWKPY-UHFFFAOYSA-N 312.435 2.608 0 40 DFAB Cc1nn2cccnc2c1C(=O)N[C@H](C)Cc1ccc(F)cc1 84028284 ALLQSAARBZYMOB-LLVKDONJSA-N 312.348 2.538 0 40 DFAB OCCOCc1ccc(CNc2ccc(Cl)cn2)cc1F 95403369 XUHKFITUXTVVHW-UHFFFAOYSA-N 310.756 2.995 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H]3CCc4nccn4C3)coc2c1C 97197812 PRRYAHBCDBWELH-OAHLLOKOSA-N 323.396 2.920 0 40 DFAB O=C(O)CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccco1 1531862457 DBGQQLPJLRLZRS-LBPRGKRZSA-N 318.354 2.884 0 40 DFAB CC(C)c1ncc(CN2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cn1 12220540 DCYRDQFZVWJXGY-SJORKVTESA-N 322.412 2.835 0 40 DFAB Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(F)cc2)c1 5184387 VOOMHEQASKURKG-UHFFFAOYSA-N 300.333 2.697 0 40 DFAB Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)CCN(C)C)c2c1 12360885 KVVBZJOPOCPBQP-UHFFFAOYSA-N 301.434 2.656 0 40 DFAB C[C@H]1C[C@@H](Cc2ccccc2C[C@@H]2C[C@@H](C)OC2=O)C(=O)O1 16954180 SOAJBEJMQHFQQP-VZAMPYOESA-N 302.370 2.675 0 40 DFAB Cn1nccc1CN1CCC[C@@H](COc2ccc(F)cc2)C1 19658544 LNEXXEAINWZQOV-CQSZACIVSA-N 303.381 2.850 0 40 DFAB Cc1cc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)nc(C)n1 390827551 ZDRKXBQOJKKAFU-HNNXBMFYSA-N 315.417 2.820 0 40 DFAB N#Cc1cccnc1N1CCN(c2nsc3ccccc23)CC1 19797711 QIBPCDGBACZCIK-UHFFFAOYSA-N 321.409 2.890 0 40 DFAB Cc1cnc([C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)[nH]1 1848352199 ALWYKHYPRQIDIH-GFCCVEGCSA-N 312.348 2.968 0 40 DFAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2s1 238827233 FATKMKXBVUDNLV-ZDUSSCGKSA-N 314.414 2.947 0 40 DFAB CCOC(CCn1c(=S)[nH]c2ccccc2c1=O)OCC 425054 NBFPBCXJNLCYPG-UHFFFAOYSA-N 308.403 2.848 0 40 DFAB CCOc1nn(CC)cc1C(=O)Nc1cccc(NC(C)=O)c1 9070593 MOAQNNLJKNIPEL-UHFFFAOYSA-N 316.361 2.512 0 40 DFAB COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1 11694653 XKXYSTWWCSGKMJ-UHFFFAOYSA-N 315.354 2.983 0 40 DFAB O=c1cc(CSc2nnc(-c3cccs3)o2)occ1O 78807407 VQHDQDKPVGBMJZ-UHFFFAOYSA-N 308.340 2.749 0 40 DFAB CCN(CC)[C@H](Cc1cccc(Br)c1)C(=O)O 107843744 YIMYUBNPYWKCDG-GFCCVEGCSA-N 300.196 2.787 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)[C@H](C)CO1 40082874 YHSVQYJGQQENNJ-GHMZBOCLSA-N 319.792 2.980 0 40 DFAB COc1ccc(OCCSCC(=O)Nc2cc(C)no2)cc1 50249555 MQLJVTFMRQRPPI-UHFFFAOYSA-N 322.386 2.742 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](/C=C/c2ccccc2)NC(=O)N1 202269 IXHONPOIKWETGP-HBWSCVEGSA-N 300.358 2.607 0 40 DFAB aggregator CCN(CC)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102439673 DAMVDDKJIRWYTN-PYTWLRIVSA-N 310.397 2.844 0 40 DFAB O=C(CCNC(=O)c1cccs1)N[C@H]1CCc2ccccc21 32843570 SALSAYIUMYVGCT-AWEZNQCLSA-N 314.410 2.672 0 40 DFAB COc1ccc(N(C)S(=O)(=O)c2cc(C)sc2C)cn1 102777093 ZDPZBTMMZMMMFQ-UHFFFAOYSA-N 312.416 2.594 0 40 DFAB CC(C)(C)c1nc(Cn2c(=O)oc3cc(Cl)ccc32)no1 103259794 FZBOORBGOLFJSP-UHFFFAOYSA-N 307.737 2.977 0 40 DFAB CN1CCN(C(=O)Cc2ccsc2)[C@@H](c2ccccc2)C1 53286719 JCSYCVXDJNNMDT-MRXNPFEDSA-N 300.427 2.806 0 40 DFAB O=S(=O)(CCN1CCCCC1)c1nc2ccccc2s1 204996 DUFQTJAAWAYMMI-UHFFFAOYSA-N 310.444 2.556 0 40 DFAB COc1ccc(C(N)=O)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106097143 ULJQSOUGNHENPF-GMXVVIOVSA-N 302.374 2.559 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1 79157689 RGLWIKOAFJEUSH-HUUCEWRRSA-N 302.399 2.514 0 40 DFAB O=C(Nc1ccccc1)Nc1cccc(Cn2cccnc2=O)c1 55329128 JGXVESRKPMPUIY-UHFFFAOYSA-N 320.352 2.936 0 40 DFAB COc1ccc(CC(=O)OCC(=O)Nc2ccccc2C)cc1 3217306 UMMHIYCAEPNYCS-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1Cc1ccccc1 55456590 BHBSWVNINXQMSO-INIZCTEOSA-N 320.396 2.665 0 40 DFAB Cc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)c(C)c1 3417768 JREXUZJQNREEDM-UHFFFAOYSA-N 315.325 2.510 0 40 DFAB Cc1oc(-c2ccccc2)nc1CN1C[C@@H](C(N)=O)CC[C@H]1C 106768630 YUNFVKFIAZWSES-DOMZBBRYSA-N 313.401 2.736 0 40 DFAB C1CCC2(CC1)O[C@@H]1CO[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]1O2 4712903 MNXYIFLXTZJYIW-KBUPBQIOSA-N 310.390 2.863 0 40 DFAB biogenic CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C 4861169 PJIGIPNIVQDLGA-UHFFFAOYSA-N 316.430 2.986 0 40 DFAB CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ncc(C)o2)c1 84259397 VASWXCTXMCLIOG-HNNXBMFYSA-N 313.357 2.599 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2OC)cn1 43644863 VIALRRCYQLOXNR-LLVKDONJSA-N 318.377 2.803 0 40 DFAB CCc1ccc(OCC(=O)Nc2nnc(C3CC3)s2)cc1 7007523 IGNABJKUMOMAPH-UHFFFAOYSA-N 303.387 2.995 0 40 DFAB COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCC(C)C 56650677 KXPJLXLGWOCMDP-UHFFFAOYSA-N 307.394 2.565 0 40 DFAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@@H]1CCCO1 107498749 SXFVYIUEOBLQNX-XMTFNYHQSA-N 315.413 2.762 0 40 DFAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)COCC1CC1 107574234 NDYGYTZHRUEFPX-FUHWJXTLSA-N 314.429 2.556 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57988383 KPDUKCAUUKJGRK-AAEUAGOBSA-N 315.339 2.683 0 40 DFAB COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1F 8041223 BTVHSVLRCXDWAZ-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB CNC(=O)C1CCN(c2ncc(-c3ccccc3)s2)CC1 72307846 JOHRHKOOUWHMLE-UHFFFAOYSA-N 301.415 2.773 0 40 DFAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCSCC1 58294818 IORSHPKNBRYYFL-UHFFFAOYSA-N 307.806 2.715 0 40 DFAB Cc1cccc2c1nc(-c1cnn(C)c1)n2Cc1cnn(C)c1 58292661 DTMNMHXCPBIZDK-UHFFFAOYSA-N 306.373 2.527 0 40 DFAB Cc1cc(NCc2ccc(N(C)C)nc2)nc(-c2cccnc2)n1 44978677 CJIZRIJIJZDSNR-UHFFFAOYSA-N 320.400 2.920 0 40 DFAB CCc1ccc(C(=O)NC(=S)Nc2nc(C)cc(C)n2)cc1 9140456 NIAUUCPIBZUJTD-UHFFFAOYSA-N 314.414 2.783 0 40 DFAB Cc1ccc(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)nc1 58508146 SHPSHZDNQSHSBB-UHFFFAOYSA-N 319.405 2.833 0 40 DFAB Cc1nc(CNC(=O)Nc2ccc(N3CCCC3)nc2)cs1 45325786 ZWBVGBHEUUUPNL-UHFFFAOYSA-N 317.418 2.768 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2csc(C)n2)on1 45489397 SGDOQKSEYWAPKA-ZDUSSCGKSA-N 320.418 2.837 0 40 DFAB O=C(/C=C/c1cccs1)NC(=S)NCCc1ccccc1 2546318 LCPOHWKBFBLZIU-CMDGGOBGSA-N 316.451 2.995 0 40 DFAB O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@H]2CCCC[C@H]21 46486953 QOHOFSAZLRNBHC-CJNGLKHVSA-N 313.353 2.577 0 40 DFAB COc1ccccc1CCC(=O)Nc1nnc(C2CC2)s1 2661804 ZWNADJXAFVKSQF-UHFFFAOYSA-N 303.387 2.995 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1 37225785 ZZDWQIRHZDPLFN-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CC(C)C[C@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)c1ccccn1 110714406 FUSLWCZVOHBRPA-LZWOXQAQSA-N 305.422 2.581 0 40 DFAB Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12632906 UPQKAUKVDLDBDG-UHFFFAOYSA-N 318.398 2.967 0 40 DFAB CC(C)=CC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 48360577 OJINLFQJTFOJSO-HZPDHXFCSA-N 316.445 2.878 0 40 DFAB COCCn1cnnc1SCc1csc(-c2ccco2)n1 48325268 AMIUZKWRJOMPHA-UHFFFAOYSA-N 322.415 2.933 0 40 DFAB CCc1cccc(NC(=O)CCCNC(=O)c2ccco2)c1 12945325 ZPAWOAYDLSTNIA-UHFFFAOYSA-N 300.358 2.991 0 40 DFAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 95395892 BFDNJKNDFGFDOL-NWDGAFQWSA-N 317.393 2.697 0 40 DFAB C[C@H](O)c1nc2ccccc2n1Cc1ncn(-c2ccccc2)n1 96007333 JOIAVDPZSLTOIW-ZDUSSCGKSA-N 319.368 2.719 0 40 DFAB CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 3907512 BEFWHBLHNPAQQF-UHFFFAOYSA-N 322.430 2.525 0 40 DFAB Nc1nnc(/C(=C/c2ccc(O)cc2O)c2ccccc2)s1 408718466 YZXCXZSYMZZMJY-MDWZMJQESA-N 311.366 3.120 0 40 DFAB CN(C)CC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306129579 IHFIOJFRUKVTSU-QGZVFWFLSA-N 323.444 2.873 0 40 DFAB N=c1sccn1CC(=O)NC(c1ccccc1)c1ccccc1 6104026 MXCIDVRGPBEOGI-UHFFFAOYSA-N 323.421 2.935 0 40 DFAB O=C(NC[C@]1(O)CCc2ccccc21)Nc1cccc(F)c1F 95434406 IFHWJBZUVOAULF-QGZVFWFLSA-N 318.323 2.920 0 40 DFAB O=C1Nc2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 4483541 WKUDBPLZXIBHSB-UHFFFAOYSA-N 306.318 2.562 0 40 DFAB C[C@H](NC[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccc(F)c1 84656057 DXWRNIRPMOTYOM-QEORTHHSSA-N 303.381 2.988 0 40 DFAB Cc1ccc(COC(=O)c2cc(N3CCOCC3)ccn2)cc1 6560194 LRRJNLKIOYASQC-UHFFFAOYSA-N 312.369 2.584 0 40 DFAB Cc1ccc(F)c(NC(=O)CCNC(=O)c2ccccc2)c1 9445922 WUVMAWDSKUPWQE-UHFFFAOYSA-N 300.333 2.893 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731839 RXEGXXKZXIVDAE-VXGBXAGGSA-N 308.809 2.998 0 40 DFAB O=S(=O)(Nc1ccc(Sc2nncs2)cc1)C1CC1 71793203 DNZWRPVWDZSJKS-UHFFFAOYSA-N 313.429 2.593 0 40 DFAB Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCOCC1 67034805 QOVRBAONIBTPEP-UHFFFAOYSA-N 317.414 2.660 0 40 DFAB CC1(C)CN(C(=O)c2cccc(C(F)(F)F)c2)CC[S@@]1=O 96461644 NIYOMKIAHOAVSE-OAQYLSRUSA-N 319.348 2.689 0 40 DFAB CCO[C@@H]1C[C@@H](NC(=O)CCc2cscn2)C12CCCC2 96432534 KLSSTIXKVYUHMR-ZIAGYGMSSA-N 308.447 2.930 0 40 DFAB C[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 96453175 HEFIJYITFWFYNX-SECBINFHSA-N 322.352 2.732 0 40 DFAB Cc1nc(C(=O)NCCCO)c(-c2ccccc2Cl)s1 95475713 IDQNDVUWTUKPFS-UHFFFAOYSA-N 310.806 2.884 0 40 DFAB Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 15480123 ZFUGLPAABJYBPL-UHFFFAOYSA-N 323.396 2.985 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1occc1=O 95444413 QQOIWKFDFAINDB-QMMMGPOBSA-N 300.236 2.660 0 40 DFAB CN(C(=O)CCc1ccc(Br)cc1)c1ccnn1C 95407266 KEHIUTLUSNDUMI-UHFFFAOYSA-N 322.206 2.778 0 40 DFAB O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCO[C@H](c2ccccc2)C1 96503128 RFWNEIUVWXEYIK-IKGGRYGDSA-N 318.417 2.775 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CC=CCC2)c1 69109926 XWUGUDFEGPZTRV-CQSZACIVSA-N 301.390 2.801 0 40 DFAB Clc1cc(CSc2nnnn2C2CC2)cc2c1OCCO2 8344013 XTOFPEZZLUQWRW-UHFFFAOYSA-N 324.793 2.725 0 40 DFAB c1ccc(OC2CCCC2)c(CN[C@@H]2CCc3ncnn3C2)c1 69488730 JZKHJBQRXYUDBV-OAHLLOKOSA-N 312.417 2.704 0 40 DFAB CNc1nc(CNC(=O)Nc2cnc(C(C)(C)C)nc2)cs1 95409747 PAXPPGNHISDQAO-UHFFFAOYSA-N 320.422 2.594 0 40 DFAB CNC(=O)CN(C)c1nc(-c2ccsc2)nc2ccccc12 8745221 SHBAVZYHXIJDCC-UHFFFAOYSA-N 312.398 2.541 0 40 DFAB Cc1ccc(C)c(NC(=O)CCn2c(=O)n(C)c3ccccc32)c1 8727385 JTMXRIZLFFIBRP-UHFFFAOYSA-N 323.396 2.986 0 40 DFAB COc1ccc2oc(CN3CCC[C@H](C(=O)N(C)C)C3)cc2c1 92647488 YGGVOIXFNZVTKK-ZDUSSCGKSA-N 316.401 2.742 0 40 DFAB CCn1c(C(=O)N2CCC[C@H](C(=O)O)C2)cc2ccccc21 97017422 WFCXITAYFPVKJO-ZDUSSCGKSA-N 300.358 2.598 0 40 DFAB CCC(CC)(CNC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)O 97036615 DAHHJXQBGCGEIH-UHFFFAOYSA-N 320.364 2.857 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@H]1CCc3ccccc31)C2 72285652 UWLRVBAMDOXQCY-CVEARBPZSA-N 309.413 2.743 0 40 DFAB COc1cccc([C@@H](O)CN2CCC[C@H](c3cc(C)[nH]n3)C2)c1 89599028 YYLOOJOQDBRRTR-YJBOKZPZSA-N 315.417 2.640 0 40 DFAB COC(=O)Cc1ccccc1CN(Cc1cnn(C)c1)C(C)C 89869633 MGFIYNAFABRPMR-UHFFFAOYSA-N 315.417 2.546 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2nc(C(C)(C)C)no2)no1 75573233 VNIZYLURPYHZAP-SNVBAGLBSA-N 305.382 2.650 0 40 DFAB Cc1sc2ncnc(NCCCn3ccccc3=O)c2c1C 76803025 OXRIAHANTWENJE-UHFFFAOYSA-N 314.414 2.972 0 40 DFAB O=C(NCc1ccoc1C(=O)O)c1cnn(C2CCCCC2)c1 1548453631 KYOVNHJTBPJSCA-UHFFFAOYSA-N 317.345 2.610 0 40 DFAB COCCc1nsc(N2CC3(CCC3)[C@H]2c2cccnc2)n1 1548521922 TXAQWRWOKZFEGL-CQSZACIVSA-N 316.430 2.854 0 40 DFAB COc1ccc(-c2nnc3n2N[C@H](c2ccco2)S3)cc1 3843157 LJZWLXFAIFPAHM-ZDUSSCGKSA-N 300.343 2.895 0 40 DFAB biogenic COc1cccc(NC(=O)/C=C/c2cnc(SC)nc2)c1 408528795 GABWSJQCDZOKNM-VOTSOKGWSA-N 301.371 2.859 0 40 DFAB NNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 38367317 FWODBAGENPLYQT-UHFFFAOYSA-N 302.341 2.973 0 40 DFAB O=C(N[C@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccco1 71195792 UETWCPCMAXSHIW-HNNXBMFYSA-N 320.352 2.939 0 40 DFAB COC(=O)COc1cccc(NC(=O)NCc2ccccc2)c1 27356912 XEKTUMLDBMNLKE-UHFFFAOYSA-N 314.341 2.560 0 40 DFAB O=C(CCC(=O)c1ccccc1)Nc1ccc2oc(=O)[nH]c2c1 31255012 FCMHYUAISYDDSH-UHFFFAOYSA-N 310.309 2.723 0 40 DFAB CCc1nc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cs1 63078472 JIFUYDYTBLCIFF-OAQYLSRUSA-N 322.455 2.715 0 40 DFAB Cc1c(Br)ccc(NC(=O)c2ccnn2C)c1F 194791665 PNIQEQUHUHDZGD-UHFFFAOYSA-N 312.142 2.882 0 40 DFAB COc1cc(Cl)nc(NC(=S)NCc2ccccc2)n1 225929504 XXEIOWQMSYOYEU-UHFFFAOYSA-N 308.794 2.625 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(F)cc1 224296976 UVYFLWAAOTVHGY-UHFFFAOYSA-N 303.341 2.943 0 40 DFAB Cc1cccnc1NC(=S)NCc1ccc2c(c1)OCCO2 224049348 WLJGYGAXNHXSBA-UHFFFAOYSA-N 315.398 2.648 0 40 DFAB CC(C)N1N[C@@](C)(c2ccccc2Br)NC1=S 225344067 GCUQOYAYTQJYJL-LBPRGKRZSA-N 314.252 2.725 0 40 DFAB CC(C)c1cnc(NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)s1 330734401 MCTWRGLJWXZBBN-SECBINFHSA-N 322.438 2.750 0 40 DFAB O=C(NCCCSc1nc2ccccc2o1)C(F)(F)F 96475780 VFCXTPRGDVHBSN-UHFFFAOYSA-N 304.293 2.989 0 40 DFAB Cc1cnc([C@@H](NS(=O)(=O)c2cccs2)C2CC2)s1 96428439 NMMZOOZRBIPSPK-NSHDSACASA-N 314.457 2.943 0 40 DFAB COC(=O)C[C@@H](c1ccco1)c1c(O)ccc2nsnc12 96224227 VPFMXKXHWBDVBF-QMMMGPOBSA-N 304.327 2.685 0 40 DFAB O=c1ccc2cc(S(=O)(=O)Nc3ccsc3)ccc2o1 96427075 JVOXSISSEKINMD-UHFFFAOYSA-N 307.352 2.655 0 40 DFAB O[C@@H](CN1CCC(c2cn[nH]c2)CC1)c1cc(F)ccc1F 97203439 QSXWEZVDQJHWPO-INIZCTEOSA-N 307.344 2.601 0 40 DFAB COCc1nc2n(n1)C[C@@H](NC[C@@H](C)C1CCCCC1)CC2 583651983 XQJAIVZKZHIIDH-HIFRSBDPSA-N 306.454 2.545 0 40 DFAB CN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCOC1 93839669 AOARQMXWLDWAKN-LLVKDONJSA-N 324.222 2.565 0 40 DFAB CCCCc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 257209090 BOWZEJCBWAHLPR-WMZOPIPTSA-N 318.465 2.841 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCC[C@H](c2ccnc(O)n2)C1 257247256 IYDZWVAHCZVJHJ-HVHJFMEUSA-N 309.369 2.602 0 40 DFAB O=C(Nc1cc(-n2ccnc2)ncn1)c1cc2ccccc2o1 96097995 KLQVRIHECRJOIV-UHFFFAOYSA-N 305.297 2.661 0 40 DFAB COC(=O)[C@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C 98090268 DARKPXOKYWMLBE-LBPRGKRZSA-N 315.316 2.574 0 40 DFAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCc1ccccn1 30006390 ZTMBTUQOBBNOEU-CQSZACIVSA-N 318.442 2.721 0 40 DFAB COc1cc(CN2CC(c3nc(C4CC4)no3)C2)cc(OC)c1 70637020 BGHVMFXIRWQHAB-UHFFFAOYSA-N 315.373 2.564 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1 72273855 UHICRAYPFCZKMY-STQMWFEESA-N 304.419 2.963 0 40 DFAB COc1ccc2oc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)c(C)c2c1 78894496 GDIFJJBUFWERSK-XHDPSFHLSA-N 316.401 2.772 0 40 DFAB Cc1cc(C(=O)N2CCOCC2)c(C)n1Cc1cccs1 78947780 HOZXZVKNSVFILS-UHFFFAOYSA-N 304.415 2.687 0 40 DFAB COCOc1ccc(C(=O)CC(=O)c2ccccc2)c(O)c1 100012758 PZXJQFFXJFXQCP-UHFFFAOYSA-N 300.310 2.831 0 40 DFAB CC1(C2CCN(C(=O)CCc3ccccc3)CC2)OCCO1 96461814 KOXQEPBKAJWPKI-UHFFFAOYSA-N 303.402 2.621 0 40 DFAB Cc1cc(C)cc(NC(=O)c2cc3cccnc3n(C)c2=O)c1 5303676 HLYJCZZFWZSZCK-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB CCOc1ccc(NC(=O)CNC(=O)Nc2ccccc2)cc1 11765369 SFRBCRIUMFNFMY-UHFFFAOYSA-N 313.357 2.846 0 40 DFAB CN(C)CCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 12863464 KAURMBSYXPURNW-UHFFFAOYSA-N 321.808 2.605 0 40 DFAB COc1cnc(C(=O)Nc2cc(Cl)ccc2OC)cc1O 16968480 XZLPHNXPWRIFBL-UHFFFAOYSA-N 308.721 2.710 0 40 DFAB Nc1nonc1N[C@H]1CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 19974019 ORMYHAJTBJPFEB-GXSJLCMTSA-N 306.753 2.623 0 40 DFAB O=C(O)Cc1c(F)cc(Br)cc1Br 2506851 ZPUWMXUHTJCTNT-UHFFFAOYSA-N 311.932 2.978 0 40 DFAB CCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 3090046 TZBAHXCUUZTREM-QGZVFWFLSA-N 311.381 2.981 0 40 DFAB O=C1NC(=S)c2ccccc2/C1=C/c1ccc2c(c1)OCO2 3847554 PAOMSRWXFCUASX-QPEQYQDCSA-N 309.346 2.761 0 40 DFAB O=C(OCc1ccccc1)N1CC[C@]2(CCNC2)C(F)(F)C1 257971447 IJQIHOWTPVSKNK-HNNXBMFYSA-N 310.344 2.644 0 40 DFAB O=C(OC[C@H]1COc2ccccc2O1)c1c(F)cccc1F 3181320 FQPWRGVIEHNQDQ-SNVBAGLBSA-N 306.264 2.962 0 40 DFAB CCc1ccc(NC(=O)C[C@@H]2CN(c3ccccc3)NC2=O)cc1 2033970135 ATVWPFRTFGXVTH-OAHLLOKOSA-N 323.396 2.745 0 40 DFAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2nc(C3CC3)ns2)C1 2087130853 JYMGDLFXDVYUTD-LBPRGKRZSA-N 322.478 2.889 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2C(=O)O)c1 63977 XXVYZNZENSQBHA-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB biogenic COc1cc(OC)cc(C(=O)Nc2nnc(SC)s2)c1 4086639 JXRTYCRCYKQYFM-UHFFFAOYSA-N 311.388 2.530 0 40 DFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1 10256054 ARUSUHJPLVUDCC-SQVRQVGWSA-N 320.392 2.794 0 40 DFAB Cc1ccc(OS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 13074021 VHCOTWROMFVYQT-UHFFFAOYSA-N 306.339 2.769 0 40 DFAB CCN1CCN(C(=O)Nc2ccccc2Br)CC1 40525286 ZXGIWTHNHKALPV-UHFFFAOYSA-N 312.211 2.619 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C)on2)c(C)c1 31657116 WMDPUJFUELYWMY-UHFFFAOYSA-N 308.403 2.729 0 40 DFAB CC(C)c1noc(CCCC(=O)NCCc2cccs2)n1 40515714 BDOXXXKTYFYOJA-UHFFFAOYSA-N 307.419 2.936 0 40 DFAB C[C@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)NC(C)(C)C 32771701 LAHGNSGCFHMVRS-JTQLQIEISA-N 321.396 2.889 0 40 DFAB NC(=O)[C@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 32759297 HZVNVSZJXSRKBZ-CYBMUJFWSA-N 319.792 2.835 0 40 DFAB O=C(CCc1ccsc1)N1CCN(c2ccc(O)cc2)CC1 32731174 KWUYOGMMKIHTKT-UHFFFAOYSA-N 316.426 2.735 0 40 DFAB CC(=O)N1CCC(Nc2ncnc3c2oc2ccccc23)CC1 32743526 LGNCUFGSBLJFOX-UHFFFAOYSA-N 310.357 2.799 0 40 DFAB Cc1ccc2n(c1)cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 387364 NRQSOODODFPWTA-UHFFFAOYSA-N 310.377 2.800 0 40 DFAB CCCOc1ccccc1NC(=O)Cn1c(C)csc1=O 22559287 BCGMBWNKKOXMQT-UHFFFAOYSA-N 306.387 2.646 0 40 DFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(Br)c(Cl)c2)C1 32771 KTMIIWZDKYVRIQ-ZCFIWIBFSA-N 318.554 2.540 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCc2ccccc21 152656 KDIKPKKWRJUNPV-CQSZACIVSA-N 306.387 2.647 0 40 DFAB CC[C@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 34154543 RLAKWLFUMAABBE-STJTYLQHSA-N 324.424 2.911 0 40 DFAB biogenic,in-vitro Cc1ccn(-c2ccc(NCc3ccc(OC(C)C)nc3)nn2)n1 78824899 NXBDHXYFSFKRKT-UHFFFAOYSA-N 324.388 2.765 0 40 DFAB CCOC(=O)c1c(C)c[nH]c1Cc1[nH]cc(C)c1C(=O)OCC 1595867 KXSWPMKVHODFTG-UHFFFAOYSA-N 318.373 2.904 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 97378770 XDTONZQBWRRHPD-RHSMWYFYSA-N 303.406 2.857 0 40 DFAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1F 106137990 LWRLNZCDKICOAT-KGLIPLIRSA-N 307.413 2.745 0 40 DFAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(F)cc1 3147961 YUPSREWJYDRUDW-UHFFFAOYSA-N 314.360 2.903 0 40 DFAB CCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 25221350 DLYWEYOPNLDQEM-UHFFFAOYSA-N 308.378 2.534 0 40 DFAB O=c1c2ccc(F)cc2ncn1C[C@H](O)CCc1ccccc1 97375767 RIPQDHSWPAPTFN-OAHLLOKOSA-N 312.344 2.529 0 40 DFAB CCc1nc(N2CCNCC2)c2c3c(sc2n1)C[C@H](C)CC3 4910560 MLXJNPKWDSFKKF-LLVKDONJSA-N 316.474 2.788 0 40 DFAB O=C(NCCc1ccccn1)c1ccc(OC(F)(F)F)cc1 12527966 CXDJNVVHLJOWKX-UHFFFAOYSA-N 310.275 2.953 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 12567959 YISJTXHDGQQVAV-PHIMTYICSA-N 307.781 2.999 0 40 DFAB C[C@H](NC[C@H](O)c1ccccc1)c1ccc(-n2cncn2)cc1 25367492 IWBNVORELAZQED-KSSFIOAISA-N 308.385 2.652 0 40 DFAB O=C1c2ccccc2C(=O)N1CSc1ncc2ccccn12 12531860 NGTSPOQWCHNXFZ-UHFFFAOYSA-N 309.350 2.680 0 40 DFAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 101275133 VGLNUWAZQFVROK-MRXNPFEDSA-N 310.353 2.748 0 40 DFAB NC(=O)[C@H](NC(=O)CCc1ccc(Cl)s1)c1ccccc1 44405782 QTFKSXLWCFTGHJ-CQSZACIVSA-N 322.817 2.677 0 40 DFAB Cc1noc([C@H](C)Nc2ccc(N3CCOCC3)cc2C)n1 27182088 YVJQFJDDHXKNPY-LBPRGKRZSA-N 302.378 2.696 0 40 DFAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)NC1CCCC1 58017053 HCLFSDWRZMFPMW-JTQLQIEISA-N 309.797 2.909 0 40 DFAB CCn1cc(NC(=O)NCc2cc(Cl)ccc2OC)cn1 44945048 OSOGYRCPMKOCOS-UHFFFAOYSA-N 308.769 2.887 0 40 DFAB CNc1snc(C)c1C(=O)NCc1ccc(COC)cc1 44913562 ACDSMQFZUIXSMW-UHFFFAOYSA-N 305.403 2.570 0 40 DFAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccccc1 102739318 SKURYGPOQFMDFY-UBHSHLNASA-N 318.369 2.636 0 40 DFAB C[C@@H](OCC1CC1)C(=O)Nc1ccnn1CCc1ccccc1 58393127 DTYRFIJXADKUEU-CQSZACIVSA-N 313.401 2.879 0 40 DFAB C[C@H](NC(=O)c1nn2cccnc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102598697 QJKFDLJBQLZEKD-FIQHERPVSA-N 318.808 2.937 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)C(C)C 29088642 XAWIYUFSPWPEAJ-GFCCVEGCSA-N 324.450 2.685 0 40 DFAB CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccc2c(c1)ncn2C 95435369 HDBYWYGANLIWRN-HUUCEWRRSA-N 303.431 2.929 0 40 DFAB NC(=O)[C@H](OC(=O)c1cc(Cl)ccc1F)c1ccccc1 11764650 WJEHSEOEAPPQMB-CYBMUJFWSA-N 307.708 2.863 0 40 DFAB CCOC(=O)Cc1cc2c(n1-c1cc(C)on1)C[C@@H](C)CC2=O 2561630 SJSQUTOXBXQWLW-SNVBAGLBSA-N 316.357 2.644 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987192 KFEUWXIJZMHHPO-DBIOUOCHSA-N 315.339 2.993 0 40 DFAB CC(C)[C@H](Sc1nnc(N)s1)C(=O)NCc1ccccc1 12684818 FWDUKJNLHFCLRV-NSHDSACASA-N 322.459 2.553 0 40 DFAB O[C@H]1c2ccccc2C[C@H]1Sc1nnc2[nH]c3ccccc3n12 12643544 WFJCAWJZLGZZSG-CABCVRRESA-N 322.393 2.961 0 40 DFAB O=C(NCc1ccc(CO)c(F)c1)c1cccc2cccnc12 48290768 YQUQCHXLAGXPGK-UHFFFAOYSA-N 310.328 2.796 0 40 DFAB COc1ccc(/C=C2/SC(=O)N(CN3CCCC3)C2=O)cc1 27472769 WVMMCCMQUGPXPP-GXDHUFHOSA-N 318.398 2.785 0 40 DFAB C[C@@H]1CN(Cc2ccccc2CNC(=O)C2CCC2)C[C@@H](C)O1 48313428 MPGRCWMXCFRPSG-HUUCEWRRSA-N 316.445 2.712 0 40 DFAB CCCOc1cccc(C(=O)NCc2ccc(N(C)C)nc2)c1 48374377 NEWGHVVWYREAKJ-UHFFFAOYSA-N 313.401 2.866 0 40 DFAB C[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Cc1cccs1 74627857 XQBIMFYNBWAUSZ-LSDHHAIUSA-N 321.490 2.806 0 40 DFAB CCCCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)cc2C)C1(C)C 95413028 WXPJZSZKDZTOPV-LSDHHAIUSA-N 320.433 2.739 0 40 DFAB CC(C)c1n[nH]c(SCC(=O)N2CCc3ccccc32)n1 13686238 SRRSUAUJHNZIRJ-UHFFFAOYSA-N 302.403 2.610 0 40 DFAB Cc1cc(=O)[nH]cc1-c1ccc(C(=O)NCc2ccco2)s1 72260061 MOLCBDODZFTIRV-UHFFFAOYSA-N 314.366 2.935 0 40 DFAB Cc1ccc(C)c(CNC(=O)N[C@](C)(C(=O)O)c2ccco2)c1 65554183 IZNGUKHVXDUFFN-KRWDZBQOSA-N 316.357 2.696 0 40 DFAB COc1ccc(N(C)C(=O)C(=O)c2c(C)[nH]c3ccccc23)cn1 65513824 KNWHHFMFAUQHPU-UHFFFAOYSA-N 323.352 2.726 0 40 DFAB CC(=O)Nc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 9458861 PQKDNAFLWNKVSA-UHFFFAOYSA-N 312.369 2.762 0 40 DFAB CCc1nnc(NC(=O)CSc2nc(C)cs2)s1 4668892 VLUCDLFJEKKGIF-UHFFFAOYSA-N 300.434 2.596 0 40 DFAB COc1ccc(CNC(=O)N2CCC2)cc1OC1CCCC1 71799687 JXEKNLUHINKVEI-UHFFFAOYSA-N 304.390 2.932 0 40 DFAB CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1 19878057 ZUFVLENVBNAUCA-UHFFFAOYSA-N 324.852 2.972 0 40 DFAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc2c1OCO2 15013239 YMWSSZICWKKEEW-WUXMJOGZSA-N 321.354 2.869 0 40 DFAB Cc1cc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)c(C)c1 7025529 CWBXUFYJLKPJGG-UHFFFAOYSA-N 321.380 2.960 0 40 DFAB CC(C)c1n[nH]c(NC(=O)c2ccnc(OC3CCC3)c2)n1 90041040 OCEZYCBBCXSVCH-UHFFFAOYSA-N 301.350 2.507 0 40 DFAB O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCC[C@H](CO)C1 67470030 VFILRYQRWQUVQA-ZDUSSCGKSA-N 322.836 2.786 0 40 DFAB CC(C)c1cccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 95451594 PFSPQEBTECREMA-QGZVFWFLSA-N 323.396 2.868 0 40 DFAB Cc1ccc(CN2C[C@@H](C(=O)N(C)[C@H](C)C3CC3)CC2=O)cc1 71837837 FXPHYOYIYPRERH-PBHICJAKSA-N 314.429 2.600 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](C)c2ccccc2)c1 7309609 BANOZTLEMXBPKM-ZDUSSCGKSA-N 317.410 2.971 0 40 DFAB CCCC(=O)N[C@H]1CCCN(c2cccc(F)c2C(C)=O)C1 80976718 FMINACLAHHJVPV-ZDUSSCGKSA-N 306.381 2.913 0 40 DFAB O=C(CN1CCSC1=O)Nc1cccc(Br)c1 7755788 WBUVPZQSPKVJBT-UHFFFAOYSA-N 315.192 2.556 0 40 DFAB Cc1noc([C@H](C)N2CCN(Cc3cccc(F)c3F)CC2)n1 69348239 PYUIPTLRKLORGZ-NSHDSACASA-N 322.359 2.535 0 40 DFAB Cc1nc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)ccc2n1C 69738008 JEGFVCXRLULFSJ-HNNXBMFYSA-N 323.400 2.556 0 40 DFAB CC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccco3)C2)c1 8774967 FPHUBDHDXXFGJV-INIZCTEOSA-N 311.341 2.936 0 40 DFAB CCc1ncc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cn1 97083056 YDXWOQWGYZLARO-UHFFFAOYSA-N 322.372 2.751 0 40 DFAB CC[C@@H](c1ccncc1)N(C)Cc1nc2ccccc2c(=O)n1C 97034172 NNXFRTDVTCLDFR-KRWDZBQOSA-N 322.412 2.912 0 40 DFAB CCc1nn(C)cc1C(=O)Oc1cc2cnccc2cc1OC 97047404 KTBBJVCOXVJHLL-UHFFFAOYSA-N 311.341 2.759 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 72234025 PZRLOCLTMHTXBH-ZDUSSCGKSA-N 306.797 2.996 0 40 DFAB CC(C)CN1CCC(NCc2c[nH]nc2-c2cccnc2)CC1 97159587 MIOVMYHQRAOVEW-UHFFFAOYSA-N 313.449 2.682 0 40 DFAB CC(C)c1cccc(S(=O)(=O)NCc2cccc(N)c2)c1 97147710 OIPPIKWGMGOLST-UHFFFAOYSA-N 304.415 2.871 0 40 DFAB COCc1nc(CN2CCN(C)c3ccccc3C2)cs1 75712309 PAVRBNHCZYWFAI-UHFFFAOYSA-N 303.431 2.742 0 40 DFAB O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc(F)cn1 556860322 MJACVAJZIOOONV-HDJSIYSDSA-N 314.364 2.769 0 40 DFAB C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)ccc1F 182343272 AHTFYGUHBHBPQR-DGCLKSJQSA-N 313.344 2.538 0 40 DFAB COc1ccc([C@H](CO)N(C)Cc2ccncc2Cl)cc1 75742465 BOUQMHWIPMJGDY-INIZCTEOSA-N 306.793 2.909 0 40 DFAB CCCCOC(=O)c1cc(N)c(N2CCOCC2)c(Cl)c1 70462615 CGLUXOOWJSHZPJ-UHFFFAOYSA-N 312.797 2.716 0 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CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1F 252479394 BECMDPVTLNEUJB-UHFFFAOYSA-N 311.382 2.768 0 40 DFAB Cc1nnc(COc2ccc(C(=O)N3CCCC3)cc2)s1 271471542 IJBCRXXSTQWDOD-UHFFFAOYSA-N 303.387 2.662 0 40 DFAB CCCCOc1ccc2cc(C(=O)N3CCOCC3)[nH]c2c1 47698049 NWERIICGLRFOCW-UHFFFAOYSA-N 302.374 2.819 0 40 DFAB C[C@@H]1CCC[C@@H](C)N(C(=O)NCCCCn2ccccc2=O)C1 74266639 WXDDVZIHEBWFFL-HZPDHXFCSA-N 319.449 2.849 0 40 DFAB CC[S@](=O)CCNCc1cccc(OCc2ccccn2)c1 75612354 JUNWRYRKUMONTB-JOCHJYFZSA-N 318.442 2.519 0 40 DFAB CC(C)(C)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 58172482 DFCUPKLYFQQUMS-JXMROGBWSA-N 301.434 2.826 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 79018757 VUISDTOLXOUCFB-SBDDDAINSA-N 320.389 2.761 0 40 DFAB Cc1ccc(C)c(N2CCN(c3nccn(C4CC4)c3=O)CC2)c1 302037202 MIQXVALXUOTCRU-UHFFFAOYSA-N 324.428 2.522 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ncccc2N)C1 1772491081 WGCXJXXKBFMAIE-GFCCVEGCSA-N 306.410 2.723 0 40 DFAB Cc1cc2occ(CC(=O)NC[C@@H](C)n3cncn3)c2cc1C 12201594 SSMAYNBKCZJXPF-CYBMUJFWSA-N 312.373 2.561 0 40 DFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 16740371 CWJAWCAZSNOMDO-LBPRGKRZSA-N 324.446 2.892 0 40 DFAB CCCCNC(=O)NC/C(Br)=C/Br 1697833 FHYVUVYLRMIPLB-ALCCZGGFSA-N 314.021 2.717 0 40 DFAB Cc1ccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)cc1 9748748 ITVRNOUZGKUFII-UHFFFAOYSA-N 321.384 2.778 0 40 DFAB O=C(NCc1nnnn1C1CCCCC1)Nc1ccccc1 10608496 HIKKXNJHSJXPLE-UHFFFAOYSA-N 300.366 2.500 0 40 DFAB COc1ccccc1NC(=O)Nc1ccc2c(c1)CC(=O)N2C 22506690 PXYSDMDNUUSWCB-UHFFFAOYSA-N 311.341 2.858 0 40 DFAB Cc1ccc(-n2ccn3c(C(C)C)nnc3c2=O)cc1Cl 2298068250 XJPDYWRLQDCIHS-UHFFFAOYSA-N 302.765 2.965 0 40 DFAB CC(C)(C)c1nc(Cn2cc(C(F)(F)F)ccc2=O)no1 31625524 ODVNGKKKZCXFGC-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB Cc1nnc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)s1 20886006 MSQGACMVVGNDOV-CYBMUJFWSA-N 319.386 2.657 0 40 DFAB C[C@@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 101892488 BGTZSQTUUKHIRD-GJGMSUAZSA-N 303.745 2.747 0 40 DFAB C[C@H](OC(=O)CCc1nc2ccccc2o1)C(=O)NC(C)(C)C 21605278 PXWMIEOMNPFDGB-NSHDSACASA-N 318.373 2.607 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccccc2)C(C)C)C1 32914611 WXKLEHIBMNAJTE-ROUUACIJSA-N 316.445 2.801 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 525408 CFJGGOOUZBEXMO-MRXNPFEDSA-N 300.402 2.551 0 40 DFAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccccc1Cl 938284 VCTVWIFPRCGEQR-UHFFFAOYSA-N 316.744 2.704 0 40 DFAB Cc1nn(C)c(Cl)c1C(=O)NCCCN(C)c1ccccc1 54583610 SALJQAAFHHZLNC-UHFFFAOYSA-N 320.824 2.638 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](C)c1cc(F)ccc1F 106151318 OMXSOCXRGDZACV-NTZNESFSSA-N 313.344 2.726 0 40 DFAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 1597205 CHQACNHFEZBGIP-MDWPOOTQSA-N 315.413 2.514 0 40 DFAB CCC1(CNC[C@@H]2CCN(c3cccc(OC)c3)C2)COC1 79100193 YXMXROIZAKAODW-HNNXBMFYSA-N 304.434 2.538 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccoc3)C[C@@H]21 97111785 SZGKZRFUDZVGSI-FPMFFAJLSA-N 320.389 2.655 0 40 DFAB COCc1ccccc1CNC(=O)CCc1c(C)noc1C 25306603 REZWZDXUVABCIG-UHFFFAOYSA-N 302.374 2.687 0 40 DFAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccccn1 25358861 MVFDBZQNVGUNHC-GFCCVEGCSA-N 302.374 2.958 0 40 DFAB COc1ccc(OCCN2C(=O)C(=O)c3cccc(C)c32)cc1 6809371 DGAKYICOFKVTSA-UHFFFAOYSA-N 311.337 2.612 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 6850582 OQHDGOBGXDKTGC-UHFFFAOYSA-N 314.385 2.643 0 40 DFAB CCOc1cc(C(=O)O)ccc1OCC(=O)Nc1ccccc1 7604183 DGXLEXSJUKXTCC-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(Cl)c1 7757148 SHQGNVDRUGDBIA-ZDUSSCGKSA-N 303.745 2.910 0 40 DFAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(F)cc(F)c1 44598979 COCPTFXHLPZVRK-UHFFFAOYSA-N 315.283 2.501 0 40 DFAB Cn1cnnc1SC[C@H](O)COc1cccc2ccccc12 58214704 PEDXBXYGQJZSOJ-CYBMUJFWSA-N 315.398 2.500 0 40 DFAB C[C@H](O)CNC(=O)c1cccc(OCCCc2ccccc2)c1 72314412 SBKCDRYRPPXCSS-HNNXBMFYSA-N 313.397 2.809 0 40 DFAB Cc1csc(C2=C(O)CN(c3ccc4c(c3)OCO4)C2=N)n1 102726265 QPCNLRIEPHDYMM-UHFFFAOYSA-N 315.354 2.947 0 40 DFAB O=C(c1ccco1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108534870 XEYMHUHWZZCYDO-UHFFFAOYSA-N 312.373 2.567 0 40 DFAB CCOC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 72311386 ZSHXNVWMQFDLOY-SJLPKXTDSA-N 318.461 2.955 0 40 DFAB CSc1ncc(CN(Cc2sccc2C)C[C@@H](C)O)cn1 57810269 GJUNWRXZEOZDSY-GFCCVEGCSA-N 323.487 2.951 0 40 DFAB CC[C@@](C)(CNC(=O)C(F)(F)c1ccc(OC)cc1)[C@@H](C)O 95440047 DFDONNKIVZIGAY-ABAIWWIYSA-N 315.360 2.700 0 40 DFAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1 29601819 YHFUPYGJDSWXRV-IAQYHMDHSA-N 306.431 2.572 0 40 DFAB CCc1nncn1CCN[C@@H]1CC2(CCC2)Oc2ccccc21 95423461 BVPGJDGOQUVQKQ-OAHLLOKOSA-N 312.417 2.877 0 40 DFAB O=C(NCc1ccc2ncccc2c1)c1ccn(C(F)F)n1 2793909 LQSCHWGPAVJIMQ-UHFFFAOYSA-N 302.284 2.756 0 40 DFAB CCc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12767137 XTOREOVBRBTKHD-UHFFFAOYSA-N 310.397 2.937 0 40 DFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@H]2C=CCC2)c1 22602528 JYQODXWCYFVFHP-ZDUSSCGKSA-N 313.401 2.681 0 40 DFAB O=C(Cn1ccc(=O)c2ccccc21)OCc1cccc(F)c1 48314055 HRIXBQVZJZOLMG-UHFFFAOYSA-N 311.312 2.884 0 40 DFAB O=C(CN1C(=O)C(=O)c2ccccc21)Nc1cccc(Cl)c1 26779522 NRYFNFYBACWGGD-UHFFFAOYSA-N 314.728 2.508 0 40 DFAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)C1CCCC1 27933160 BFSWTKADOBDYAS-UHFFFAOYSA-N 303.328 2.907 0 40 DFAB CNC(=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 48605468 QWFMGSKLEYQWOM-UHFFFAOYSA-N 312.413 2.839 0 40 DFAB Cc1nc(C(=O)NCC(F)(F)F)nn1-c1ccccc1Cl 63925821 AFVCXNMBTPDVEB-UHFFFAOYSA-N 318.686 2.521 0 40 DFAB CC(C)c1noc(CCNC(=O)N2CCc3ccccc3C2)n1 69123175 DICJEWJBPNUTAP-UHFFFAOYSA-N 314.389 2.503 0 40 DFAB COC(=O)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)CC(C)C 97370719 NRPMJJFRBXCMLG-WCQYABFASA-N 372.292 4.048 0 40 DFAB CC(C)NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C 13691204 QGINUFFWNOJLEG-UHFFFAOYSA-N 301.390 2.857 0 40 DFAB C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2)CC(C)(C)O1 65502921 GTZVLCKKXBMKBO-ZDUSSCGKSA-N 311.385 2.783 0 40 DFAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(C)n[nH]c2C[C@]1(C)O 9356604 NGTLYMQTTVSXRG-ZACQAIPSSA-N 302.349 2.501 0 40 DFAB C[C@H]1CCCc2sc3nc(NC[C@@H](C)O)n4ncnc4c3c21 5532931 KIXWGGAHXHFMTP-DTWKUNHWSA-N 317.418 2.572 0 40 DFAB COc1ccc(NC(=O)COc2ccc(Cl)cc2CO)cc1 4741110 BDAZKZKTWYFAGP-UHFFFAOYSA-N 321.760 2.858 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731803 WTXDACRUXUTZMY-LLVKDONJSA-N 306.793 2.752 0 40 DFAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCCCCC1 16827189 MMUYVNKRWBZCLD-CYBMUJFWSA-N 315.369 2.963 0 40 DFAB C[C@@H](Sc1nnnn1C1CC1)C(=O)c1cc(F)ccc1F 70038327 NAAKFVDHGMTCLK-SSDOTTSWSA-N 310.329 2.650 0 40 DFAB CC(=O)c1cccc(NC(=O)COC(=O)c2occc2C)c1 9861544 HSRIEUXKHHYLQW-UHFFFAOYSA-N 301.298 2.586 0 40 DFAB Cc1occc1COC(=O)[C@H]1CCCN(c2ccccn2)C1 69706995 FIADYQUCQINTDK-AWEZNQCLSA-N 300.358 2.943 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H]1Cn1cccn1 69701290 ITDCHTKFBXZPKE-FVQBIDKESA-N 313.376 2.817 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H](n2ccnc2)C1 69774286 AKSMKKZXLBUCFC-LBPRGKRZSA-N 312.348 2.981 0 40 DFAB COc1ccnc(Sc2nnc(-c3ccc(C)cc3)o2)n1 96997730 NLOINVNLUBKNPR-UHFFFAOYSA-N 300.343 2.995 0 40 DFAB CC[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1CCOC 69976752 IBLHEHBICCCLTK-AWEZNQCLSA-N 309.454 2.515 0 40 DFAB Cc1sc2ncc(C(=O)N3CCC[C@@H](C)[C@H]3C)c(=O)n2c1C 97034040 UDYWRDACPBYGHI-NXEZZACHSA-N 319.430 2.633 0 40 DFAB CN1CCCN(C(=O)CC[C@@H]2CCCO2)c2cc(F)ccc21 72293346 CQLYLEHOALESOE-AWEZNQCLSA-N 306.381 2.958 0 40 DFAB C[S@@](=O)CCNC(=O)N[C@H](c1cccs1)C(C)(C)C 73756461 QECFJJMNDFTIKB-WYRIXSBYSA-N 302.465 2.513 0 40 DFAB COCc1ccccc1C(=O)NCc1ccc(C(C)=O)c(C)n1 95977909 RNKMPBROFYTLTO-UHFFFAOYSA-N 312.369 2.669 0 40 DFAB O=C(NCCC1CC1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95986841 SMABBMAYQCRIMC-HUUCEWRRSA-N 310.344 2.894 0 40 DFAB OCCn1nc(-c2ccc(Cl)cc2)cc1N[C@H]1CCCOC1 95992475 ILDNQILPIIBEJR-AWEZNQCLSA-N 321.808 2.787 0 40 DFAB COc1cccc([C@@H](O)C(=O)NC[C@@H](C)c2cccs2)c1 95979382 YEZADSUZRWTSQA-IAQYHMDHSA-N 305.399 2.710 0 40 DFAB CCOc1ccc(CN(C)C(=O)Cc2cc(C)on2)cc1OC 74398436 CHXLXYVQYNNDFH-UHFFFAOYSA-N 318.373 2.591 0 40 DFAB Cc1cc(NC(=O)c2ccc(-n3cncn3)c(C)c2)cc(C)n1 89591408 NRDBDNGZPNBMOD-UHFFFAOYSA-N 307.357 2.840 0 40 DFAB COc1ccc2c(c1)OCC(CN[C@@H](C)Cn1cc(C)cn1)=C2 75132823 GWUWWFLVMVBLEV-AWEZNQCLSA-N 313.401 2.654 0 40 DFAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)c1nc(C2CC2)no1 76046923 RFBIWKKPDCOYQT-GXFFZTMASA-N 301.394 2.892 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cccc3cccnc23)CC1 23244553 RUTQCWXQTWUOIH-UHFFFAOYSA-N 312.369 2.650 0 40 DFAB Cc1ccc(OCCNC(=O)NCCc2cccnc2)c(C)c1 26311790 ANJUWKZYMCAUHQ-UHFFFAOYSA-N 313.401 2.619 0 40 DFAB Cc1ccc(C)c(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 39220749 AAXNCHGINUNMBT-KRWDZBQOSA-N 308.381 2.967 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1 6337322 YJOYNOVVMZSMGR-GOSISDBHSA-N 322.408 2.660 0 40 DFAB NC(=O)COc1cccc(CNc2ccc(F)c(Cl)c2)c1 408605898 HEIPNFUSVFODFG-UHFFFAOYSA-N 308.740 2.955 0 40 DFAB CC(C)Cn1ncc2cc(C(=O)N3CC[C@H](C4CC4)C3)cnc21 534274326 LGRNQQUZSRFMQV-AWEZNQCLSA-N 312.417 2.959 0 40 DFAB CC(=O)N1CCC[C@H](c2cnc(Nc3cccc(C)n3)cn2)C1 72361749 BQGWWYKDCRDEIV-AWEZNQCLSA-N 311.389 2.650 0 40 DFAB Cc1cccc(CCNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 78502201 ALUITKGWPLLSJI-CYBMUJFWSA-N 324.380 2.687 0 40 DFAB CCCNC(=O)[C@@H]1CCCN(c2ccc(SC(C)C)nn2)C1 79089412 SAVDESHRWJYIPW-CYBMUJFWSA-N 322.478 2.720 0 40 DFAB O=C(c1ccncc1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 72351218 VKMOLYRKBXFUKT-HNNXBMFYSA-N 306.369 2.978 0 40 DFAB COC(=O)[C@@H]1CN(c2nccc(C(F)(F)F)n2)c2ccccc21 79031295 VFGSIVXJBWCNNN-SNVBAGLBSA-N 323.274 2.904 0 40 DFAB CC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 72360165 XFTOFVMJBFVGIZ-HNNXBMFYSA-N 311.389 2.915 0 40 DFAB COc1ccc(NC(=O)c2cncc(Br)c2)cc1N 36269869 AMQPZKYWRABOPG-UHFFFAOYSA-N 322.162 2.687 0 40 DFAB O=[S@](Cc1cccc2ccccc12)Cc1nnnn1C1CC1 75471861 DQNMKHAENODIOM-QFIPXVFZSA-N 312.398 2.610 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1C 226390924 ANPKQPKERIPPSY-FLMUCADWSA-N 322.408 2.726 0 40 DFAB Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)cn1C 571879767 ISEMUYMPVNPMIF-LLVKDONJSA-N 304.777 2.838 0 40 DFAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Cc1ccsc1 225600272 WIFAWOUGFNFLOM-GFCCVEGCSA-N 301.411 2.973 0 40 DFAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224109731 HAWRLSVZAIKOCX-HNNXBMFYSA-N 304.434 2.976 0 40 DFAB CCOc1ccc(/C=C/C(=O)O)cc1I 83292369 MKOOYKRSCZAQDW-GQCTYLIASA-N 318.110 2.788 0 40 DFAB Cc1noc(-c2csc(S(=O)(=O)N3CCCC3)c2)c1C 44921525 UXKUFMBBIYMCDV-UHFFFAOYSA-N 312.416 2.804 0 40 DFAB COc1cccc(CNC(=S)Nc2ccc(OC)nc2)c1 225835195 GGSUXXRCERFZNQ-UHFFFAOYSA-N 303.387 2.585 0 40 DFAB CN(Cc1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1ccccc1 95414752 LDIIHOMHCXJRGK-UHFFFAOYSA-N 322.430 2.934 0 40 DFAB Nc1cc(C2CCN(c3nc(C(F)(F)F)cs3)CC2)n[nH]1 95428503 AYEIPKRAELITCW-UHFFFAOYSA-N 317.340 2.851 0 40 DFAB C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C[C@H]1C[C@@H](O)CC[C@]31C 22000162 VFPMCLQMAUVEHD-KMQZSKAMSA-N 306.446 2.930 0 40 DFAB biogenic,in-vitro C[C@H]1C[C@H]2CN(C(=O)COc3cccc(Cl)c3)CC[C@H]2O1 96043627 YPBGYWIQBRTJOK-SLEUVZQESA-N 309.793 2.745 0 40 DFAB C[C@@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccccc1 97086240 PWXZEPHXSBSMDG-GDBMZVCRSA-N 318.417 2.932 0 40 DFAB COc1ncc(C)cc1NC(=O)Cc1c(C)nn(C(F)F)c1C 96445028 KKFQFXQUASCQJY-UHFFFAOYSA-N 324.331 2.788 0 40 DFAB CC(C)c1cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)n(C)n1 95450635 ILDCVMSUUBMGMX-NSHDSACASA-N 319.430 2.996 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CN[C@@H](C)CC(=O)N(C)C 97379772 NGDLAJGOEVARKP-DZGCQCFKSA-N 304.434 2.572 0 40 DFAB CC(C)c1n[nH]c(NC(=O)c2cc(-c3ccccc3)nn2C)n1 95474295 PBIGZYVIDWJKMF-UHFFFAOYSA-N 310.361 2.581 0 40 DFAB Cc1nc(CNC(=O)c2ccc(Cl)c3cccnc23)no1 96412429 NGQVTDKFOPWPOH-UHFFFAOYSA-N 302.721 2.510 0 40 DFAB O=S1(=O)N=C(CSCc2ccco2)Nc2ccccc21 96416307 YYNYMTBNJMLCQQ-UHFFFAOYSA-N 308.384 2.726 0 40 DFAB C[C@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1cccc2ccccc12 97104489 BYNKFLZNEXYJRN-DYVFJYSZSA-N 319.426 2.779 0 40 DFAB C[C@H](NCCCO[C@@H]1CCOC1)c1cc(F)c(F)c(F)c1 96479307 IKENFGXWHJDCTO-CMPLNLGQSA-N 303.324 2.950 0 40 DFAB CCc1ccc(CN2C[C@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)o1 97953409 YKNRAGDAWVLWNG-DAXOMENPSA-N 317.389 2.680 0 40 DFAB Cc1nccc(Sc2nnc3ccc(C(F)(F)F)cn23)n1 97212650 MMXDGXDFKGBAOV-UHFFFAOYSA-N 311.292 2.998 0 40 DFAB COc1ccccc1COC1CCN(Cc2cc[nH]n2)CC1 97235555 KIXWNHWXEQJDOC-UHFFFAOYSA-N 301.390 2.600 0 40 DFAB COC(=O)[C@H](c1ccccc1C)N1CC[C@H]2OCCC[C@H]2C1 248634976 UZCDJECSIJDSTP-UAGQMJEPSA-N 303.402 2.710 0 40 DFAB CCCn1cc(CN2CCC(c3ccn4nccc4n3)CC2)cn1 257340513 ZGMCWIRMMSVHFQ-UHFFFAOYSA-N 324.432 2.715 0 40 DFAB Cc1cnc([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)s1 257306934 SWPYSDKCUXTDNW-LLVKDONJSA-N 324.837 2.708 0 40 DFAB COc1ccc(CN(C)Cc2csc(NC(C)=O)n2)cc1F 26866185 FINCSEFPLWDMRG-UHFFFAOYSA-N 323.393 2.881 0 40 DFAB CCCNc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 282940965 HEYYRXNRMODTOI-UHFFFAOYSA-N 315.461 2.999 0 40 DFAB O=C(c1cscn1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390829407 DZKMEDORKLGGFB-RYUDHWBXSA-N 315.398 2.753 0 40 DFAB Cc1cc(C)n(-c2cncc(N3CCc4ccccc4C3)n2)n1 67711439 QWCYHRQKTMWUNN-UHFFFAOYSA-N 305.385 2.842 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 71856969 JEWKCPQCUPJSDJ-BLLLJJGKSA-N 303.406 2.975 0 40 DFAB C[C@@]1(COC(=O)CCc2ccc3c(c2)OCCCO3)CCCO1 95965211 OYQYLPKXBGWCTN-SFHVURJKSA-N 320.385 2.893 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cccc2cn[nH]c12)c1cccs1 95956909 ULRCNWVSRTXZIK-NSHDSACASA-N 315.354 2.570 0 40 DFAB CCN(CC)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 5839980 VAUWSLCVUJRAJX-GOSISDBHSA-N 317.433 2.748 0 40 DFAB Cc1nnc(SCCCn2c(=O)[nH]c3ccccc32)s1 5748793 HNKYRTQQNRFTMT-UHFFFAOYSA-N 306.416 2.672 0 40 DFAB C[C@H]1C[C@H](C)CN(C[C@@H](O)Cn2cc(C=O)c3ccccc32)C1 11612373 BQTCNQYCRFWEKT-YQQAZPJKSA-N 314.429 2.793 0 40 DFAB COc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1 15912166 NJBIZPLGUGKHJY-DHZHZOJOSA-N 308.337 2.694 0 40 DFAB O=C(/N=c1\sccn1Cc1ccccc1F)c1ccccn1 17368820 OOTANVDISXKDDT-MNDPQUGUSA-N 313.357 2.873 0 40 DFAB CN(C)CC[C@@H](c1ccccc1)n1cncc1-c1cnn(C)c1 19719484 QMYYBMMWRITQNS-KRWDZBQOSA-N 309.417 2.825 0 40 DFAB Cc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 19902032 LLPQCHJPRXEXJI-UHFFFAOYSA-N 316.445 2.760 0 40 DFAB CCCNC(=O)[C@H](C)Sc1nccn1-c1ccc(OC)cc1 18516408 OMIOEPUFBMULGL-LBPRGKRZSA-N 319.430 2.888 0 40 DFAB COc1ccc(C(=O)COC(=O)/C=C/c2ccco2)c(OC)c1 6012315 UAIRQCXSCQKJDP-SOFGYWHQSA-N 316.309 2.736 0 40 DFAB CCC(CC)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 15084026 PTQKIWVGQUPTNB-UHFFFAOYSA-N 303.811 2.662 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]1c1ccncc1 24434961 IZHVMIQLNLPMEF-MRXNPFEDSA-N 320.389 2.888 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)s1 7136757 ONRKVNZSVUAELY-UHFFFAOYSA-N 304.758 2.994 0 40 DFAB CCCCCN[C@@H](CC(=O)Nc1cc(C)ccc1C)C(=O)O 4280118 PWMYPFIDQRAGCH-HNNXBMFYSA-N 306.406 2.865 0 40 DFAB Cc1ccccc1OCC(=O)NCc1cc(-c2ccco2)on1 22768573 HLDXUTCVNMNJPF-UHFFFAOYSA-N 312.325 2.938 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@@H](c1ccsc1)n1cccn1 575612948 DTKHFNTXGZUWNP-RGDDUWESSA-N 313.382 2.957 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C 188304 MWWWQXAJGRHQOK-UHFFFAOYSA-N 320.370 2.889 0 40 DFAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Br)c1)[C@H]1C=C[C@H]2C1 100173671 UCSQPCJPUUPAPF-VDUILEQBSA-N 318.170 2.761 0 40 DFAB COc1cccc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 31359885 DGRYCFFDMGASJB-UHFFFAOYSA-N 319.792 2.639 0 40 DFAB Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)on1 40541542 RLXDUGHODJXAMR-UHFFFAOYSA-N 314.389 2.688 0 40 DFAB C[C@@H](CNC(=O)c1cccs1)N1CCc2sccc2C1 32428049 IJTDMSOKCDKEKI-NSHDSACASA-N 306.456 2.986 0 40 DFAB CS(=O)(=O)Cc1ccc(F)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C2 101544156 XZCFSTSOVBFAAT-YDHLFZDLSA-N 323.433 2.672 0 40 DFAB CC(C)S(=O)(=O)Cc1ccc(NC(=O)NCC2CCC2)cc1 52260624 XAKZEJGUYNHHLA-UHFFFAOYSA-N 324.446 2.931 0 40 DFAB NNc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 331269 MPPZXWMIINQPHA-UHFFFAOYSA-N 304.357 2.508 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N(C)C 32914092 SKTJKESSJNGYEP-ZBFHGGJFSA-N 316.401 2.604 0 40 DFAB O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 527325 ZPLOZZMTWJSXCV-QGZVFWFLSA-N 314.429 2.941 0 40 DFAB O=c1/c(=C\c2ccccc2)sc2nc(-c3ccc(F)cc3)nn12 531084 NCNHELNGRNCWEO-GXDHUFHOSA-N 323.352 2.505 0 40 DFAB Cc1nc(-c2cccc(NC(=O)c3cccc[n+]3[O-])c2)oc1C 54113297 MSCNWKPSTHAVKN-UHFFFAOYSA-N 309.325 2.844 0 40 DFAB CC(C)NC(=O)N(C)c1ccc(OCC(=O)NC(C)(C)C)cc1 54246712 ZOHKFENSCADCRC-UHFFFAOYSA-N 321.421 2.534 0 40 DFAB O=C(O[C@H]1CSc2nc3ccccc3n2C1)c1ccco1 243216 CBNAFWWBDIYBDF-SNVBAGLBSA-N 300.339 2.961 0 40 DFAB CCCN(CCC)C(=O)CN1CCC[C@@H](N2CCCCCC2)C1 78565125 WQTIXVNYENUGQR-GOSISDBHSA-N 323.525 2.975 0 40 DFAB CCC(CC)C(=O)NCCc1c(OC)cc(OC)cc1OC 78567644 VRENVDPECFBZCQ-UHFFFAOYSA-N 309.406 2.807 0 40 DFAB CCOC(=O)c1ccc(NC(=O)CCCNCC(C)C)cc1 1671770 PQOBKHLXVQSRLG-UHFFFAOYSA-N 306.406 2.828 0 40 DFAB Cc1ccoc1C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 79018780 SADGZQXHDPFKKK-LBPRGKRZSA-N 308.378 2.669 0 40 DFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccs1 1977351 YQQGEOABWDMDLT-JTQLQIEISA-N 305.355 2.941 0 40 DFAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1cnn(C)c1 55387823 UGVPMPDEIGUFNK-GFCCVEGCSA-N 305.809 2.754 0 40 DFAB CC[C@@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(OC)cc1 24950004 ZYEUBZZYRDECRX-OAHLLOKOSA-N 314.341 2.664 0 40 DFAB CC(=O)O[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 3137360 CHXRAXQEWHHMFZ-SNVBAGLBSA-N 310.564 2.676 0 40 DFAB O=C(NCc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 3430458 AYQRJXMOWDKIOJ-UHFFFAOYSA-N 312.344 2.883 0 40 DFAB O=C(NCc1ccncc1)C(=O)Nc1cc(Cl)cc(Cl)c1 4535163 PLDIUJKAHCELJD-UHFFFAOYSA-N 324.167 2.643 0 40 DFAB CN(Cc1cnccn1)Cc1nc(-c2cccc(Cl)c2)no1 56672545 BSGBXRUOGDMMHR-UHFFFAOYSA-N 315.764 2.812 0 40 DFAB CNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 7504056 VUJHMQFEXYMWIQ-UHFFFAOYSA-N 317.352 2.859 0 40 DFAB Nc1cc2c(=O)[nH]cnc2cc1NCc1ccc(Cl)cc1 35383027 RBDWAQRVOHFAMX-UHFFFAOYSA-N 300.749 2.771 0 40 DFAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 57394471 VESRDLUHGIZIBO-CYBMUJFWSA-N 318.373 2.535 0 40 DFAB CC(C)n1c(=O)[nH]c(=O)c2c(-c3ccccc3Cl)ccnc21 10339018 YURJNLZASMTEJD-UHFFFAOYSA-N 315.760 2.986 0 40 DFAB C[C@H](Cn1cncn1)NCc1ccc(F)cc1C(F)(F)F 95987608 LGWULHYSHZGIFD-SECBINFHSA-N 302.275 2.614 0 40 DFAB O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl 8377186 MJNXOCKCCAWZEG-GHMZBOCLSA-N 324.229 2.575 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)NCCC[C@@H]2CCCCO2)c1 95940608 QGMOXZCVXKSJAO-FPTDNZKUSA-N 324.446 2.895 0 40 DFAB CCONC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 58228284 VNODVNWNLMUBLI-UHFFFAOYSA-N 314.370 2.677 0 40 DFAB CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 58290578 YMBJGARGFFYPAR-HNNXBMFYSA-N 313.405 2.703 0 40 DFAB COc1ccccc1CN(Cc1nnc(C)o1)C[C@H]1CCCO1 44936913 FFSXCDYSCIJBPE-OAHLLOKOSA-N 317.389 2.568 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1Cl 27872415 FNYILODNQLRXIF-JQWIXIFHSA-N 313.829 2.942 0 40 DFAB Cc1ccc(NC(=O)C2CCN(CCc3ccncc3)CC2)nc1 58343087 XZZZVLFZLWWEHP-UHFFFAOYSA-N 324.428 2.678 0 40 DFAB Cc1cnn(Cc2ccc(NC(=O)N[C@]3(C)CCOC3)cc2)c1 95440653 ADKJMFJPRPZBJU-QGZVFWFLSA-N 314.389 2.540 0 40 DFAB CCOC1CCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)CC1 58323934 UQMFLLPTIQYQHC-NSHDSACASA-N 313.344 2.760 0 40 DFAB COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C 28046180 ZHWMAPBQEQLNOG-SECBINFHSA-N 319.448 2.590 0 40 DFAB COCCCNC(=O)c1c(-n2cccc2)sc2c1CCC2 36358596 LJTYRHHEJBVEKW-UHFFFAOYSA-N 304.415 2.794 0 40 DFAB CCc1ccc2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1 12537843 DNKSPBPNNSTGTN-BETUJISGSA-N 301.386 2.965 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 100403708 VFIWTRLHZHTTNY-BREBYQMCSA-N 315.822 2.816 0 40 DFAB CC(=O)NCc1ccc(-c2nc([C@@H]3CCCCCN3)no2)s1 96001530 ZHFXJFMRKLNCEE-LBPRGKRZSA-N 320.418 2.639 0 40 DFAB CCOCc1ccccc1CNC(=O)c1cccnc1N(C)C 59894073 ABKMPUMZJQRRHP-UHFFFAOYSA-N 313.401 2.614 0 40 DFAB O=C(N[C@@H]1CCOC1=O)OCC1c2ccccc2-c2ccccc21 2526698 VVPJFGZZHSVGJF-QGZVFWFLSA-N 323.348 2.841 0 40 DFAB C[C@H](Cn1cncn1)N[C@H](C)c1ccc(Br)s1 95421156 WNPUIYUQQPQYSA-RKDXNWHRSA-N 315.240 2.841 0 40 DFAB COc1ccc(NC(=S)NCCCN2CCCCC2)cc1 2727878 RMQAVISUAIENPT-UHFFFAOYSA-N 307.463 2.858 0 40 DFAB COCCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 47199775 LVKYEDJZGRECLU-UHFFFAOYSA-N 313.401 2.906 0 40 DFAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)N1C[C@@H]2CCCC[C@H]2C1 110668209 BBMMYQGLGOLFAS-JONQDZQNSA-N 302.422 2.808 0 40 DFAB COC(=O)c1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100339552 RDSKNGRXGFLMMM-MPKXVKKWSA-N 304.415 2.948 0 40 DFAB O=C(CSc1nc(-c2cccnc2)n[nH]1)c1ccc(F)cc1 59884842 HXILPESLVMNVEF-UHFFFAOYSA-N 314.345 2.981 0 40 DFAB COc1ccc(C)cc1NC(=O)COc1ncnc2ccccc12 3237647 RJLAHXFYURJYRO-UHFFFAOYSA-N 323.352 2.964 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2ccccc12 3233229 JAZSCYRNVMAEHZ-CYBMUJFWSA-N 319.364 2.986 0 40 DFAB CNC(=O)[C@@H]1CN(Cc2ccc(Cl)s2)c2ccccc2O1 48236416 SICZLORSOBDYSH-ZDUSSCGKSA-N 322.817 2.915 0 40 DFAB Cc1ccoc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 48343245 OIOJXYKSPCFPIU-CYBMUJFWSA-N 314.389 2.883 0 40 DFAB O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(CCCO)CC1 96008217 XCKQFMFPMJJTHY-UHFFFAOYSA-N 318.392 2.861 0 40 DFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 13010243 VRYZDQMZCCVMOW-JTQLQIEISA-N 312.316 2.772 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl 9218262 JJFRYNDZXDNNQL-UHFFFAOYSA-N 310.687 2.969 0 40 DFAB COc1cccc(CN2CCO[C@H](C)[C@H]2C)c1OC(F)F 93418129 POGWLZMLZGKPGF-GHMZBOCLSA-N 301.333 2.906 0 40 DFAB C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1 408707493 NODXHCNIMOLZEN-LZWOXQAQSA-N 302.418 2.601 0 40 DFAB Cc1ncc(C(=O)NCCN2CCCc3ccccc32)s1 65405893 GWFAWDVLMYDGSY-UHFFFAOYSA-N 301.415 2.634 0 40 DFAB Cn1ccnc1SCC(=O)N[C@@H]1CCCc2ccccc21 6369271 WCSXQZVXKMKZOE-CQSZACIVSA-N 301.415 2.706 0 40 DFAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H]1CCOC1=O 14121751 OYBVZASRGUOQOR-VIFPVBQESA-N 309.368 2.652 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(C=O)cc2)[C@@H]1C 5406034 YQCXVYNFFOAHAZ-IOASZLSFSA-N 317.385 2.597 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1 66241911 XUIABBMSLAWEHL-UHFFFAOYSA-N 321.402 2.808 0 40 DFAB CN1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 24002916 VCBLSOZPKMFKJI-UHFFFAOYSA-N 310.323 2.791 0 40 DFAB in-vitro Cc1cccc(COC(=O)c2ccc(S(C)(=O)=O)cc2)c1 5621548 JLPRFUWDCGGYSL-UHFFFAOYSA-N 304.367 2.756 0 40 DFAB Cn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cn1 14903041 IAIJZEKQVRQFGM-UHFFFAOYSA-N 306.272 2.522 0 40 DFAB O=S(=O)(NCc1cccnc1)c1cccc(C(F)(F)F)c1 7059626 XAWGOJKTZPNRIX-UHFFFAOYSA-N 316.304 2.579 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)Cn1ccsc1=N 7238888 MOBCBXDSKNTWSG-UHFFFAOYSA-N 311.794 2.638 0 40 DFAB COc1c(Br)cccc1CN[C@H]1CCO[C@H]1C 90230351 GMQJRRJKIDCUPS-CABZTGNLSA-N 300.196 2.725 0 40 DFAB C[C@H]1CN(CC(=O)c2ccccc2Br)C[C@@H](C)O1 16035741 LSWRTEMLPBKQEH-PHIMTYICSA-N 312.207 2.741 0 40 DFAB O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccsc1 71893717 YOLRITIYHXNOJD-LBPRGKRZSA-N 320.801 2.937 0 40 DFAB Cc1ccc(NC(=O)CNC(=O)/C=C/c2ccccc2)cc1F 8083131 DPFZUWZQGWBPQK-CSKARUKUSA-N 312.344 2.902 0 40 DFAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(C)(C)C 8257658 FZZIRYBTNDXWCR-SECBINFHSA-N 308.451 2.886 0 40 DFAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2nc3ncccc3[nH]2)n1 70039947 SINJRGOGJASXLC-OAHLLOKOSA-N 324.432 2.826 0 40 DFAB CSc1ccc(CSCC(=O)NC[C@@H]2CCCO2)cc1 69457342 LGFKWFQZSOFXHI-ZDUSSCGKSA-N 311.472 2.937 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Oc1ccccc1 409001085 GPQJCZBOBJIDBH-HIFRSBDPSA-N 304.390 2.860 0 40 DFAB CCC(CC)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 69560030 ZBACABAFZQWKBM-UHFFFAOYSA-N 317.433 2.763 0 40 DFAB CS(=O)(=O)CCN(Cc1c(F)cccc1F)C1CCCC1 69586867 HNIFZLGEABWVKL-UHFFFAOYSA-N 317.401 2.754 0 40 DFAB CCC[C@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1 69670044 HWLPXRNXCFOALZ-WFASDCNBSA-N 307.390 2.852 0 40 DFAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc2ccccc2n1 69670079 GJBBFXYWOCOHQS-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB COC(=O)c1c(C)nn(Cc2coc(-c3ccccc3)n2)c1C 69740588 UXNFZFNORPPRQI-UHFFFAOYSA-N 311.341 2.990 0 40 DFAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C(N)=O)cc1 8747345 IBUZBOCBBXVFKR-GFCCVEGCSA-N 323.396 2.713 0 40 DFAB O=C1C[C@@H](Sc2ccccn2)C(=O)N1c1ccc(F)c(F)c1 20798911 RARBRHFCEJBPIM-GFCCVEGCSA-N 320.320 2.784 0 40 DFAB CC(=O)NC1CCN(Cc2cnc(C3CCCC3)s2)CC1 92669399 OZOQLFXIVIUMHU-UHFFFAOYSA-N 307.463 2.901 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)COc2ccccc2C)C12CCC2 72295475 FIVFXGOULJDQBT-HOTGVXAUSA-N 303.402 2.838 0 40 DFAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCCCO2)o1 72286613 FNXLLSLBJCMINK-KBPBESRZSA-N 313.419 2.624 0 40 DFAB Cc1ncsc1C(=O)NCc1cc(Cl)cc2c1OCC2 97111139 IAZMZSNVHAWQGG-UHFFFAOYSA-N 308.790 2.970 0 40 DFAB COc1cc(C(=O)N2CCCc3c(Cl)ccc(OC)c32)on1 97108887 OPNBRHPPNDFCAF-UHFFFAOYSA-N 322.748 2.938 0 40 DFAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OC 22076054 VPBRWXUOJVJKJA-MRXNPFEDSA-N 301.386 2.917 0 40 DFAB CCCCOc1ccc(C(=O)N2CC(OCC(F)F)C2)cc1 72311795 OCTKUPSQRXTMPK-UHFFFAOYSA-N 313.344 2.972 0 40 DFAB Cc1cc(C)nc(NC(=O)NCCc2nc(C(C)C)no2)c1 97378597 MWWVEXDEEIENPA-UHFFFAOYSA-N 303.366 2.569 0 40 DFAB O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc(F)c(O)c(F)c1 97377209 OQZRXSCJVLWBPF-YGRLFVJLSA-N 313.344 2.732 0 40 DFAB O=C(NCCOC1CCCCCC1)NC[C@@H]1CCN(C2CC2)C1 89818923 BZZMBZMLONASIP-HNNXBMFYSA-N 323.481 2.509 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n[nH]1 76059926 FAXRHHRMQSSNCB-GFCCVEGCSA-N 301.394 2.584 0 40 DFAB CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccsc1)c1ccco1 669453517 YXKAKMPLMZSFIM-ZDUSSCGKSA-N 321.398 2.931 0 40 DFAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H]1CC1(Cl)Cl)C2=O 23220255 AHDKLUSBDWCGIB-VDDIYKPWSA-N 305.205 2.681 0 40 DFAB Cc1cc(Br)cc2c(N3CCNCC3)ccnc12 68136473 ZJTZFFUESRZWGP-UHFFFAOYSA-N 306.207 2.715 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1Cl 170337982 IOCRSFVMBYKDDW-RISCZKNCSA-N 308.809 2.651 0 40 DFAB O=C(O)CN(CCc1ccccc1)C(=O)c1ccccc1F 178142270 AWZBBITZHTXSOJ-UHFFFAOYSA-N 301.317 2.595 0 40 DFAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1CCn2cncc2C1 514703399 FIROTQMWYFZYEV-CQSZACIVSA-N 321.384 2.783 0 40 DFAB O=C1NCCCC12CCN(Cc1ccc3ncccc3c1)CC2 72393745 HBZKTDKYYYGUOG-UHFFFAOYSA-N 309.413 2.727 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)CCc1nc2ccccc2[nH]1 30262842 GJURXALDDVEPLE-ZDUSSCGKSA-N 308.385 2.900 0 40 DFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 72389968 UWQVCPJOWQGSCG-CYBMUJFWSA-N 314.389 2.884 0 40 DFAB CCOC(=O)C[C@H](c1c(O)c2ccccc2[nH]c1=O)C(C)C 72325958 OBYKODXIEBJZRP-LBPRGKRZSA-N 303.358 2.927 0 40 DFAB biogenic CCOc1cc(Cl)ccc1C(=O)N(C)C1(C(N)=O)CCCC1 188040856 GPNGLPLGFDSDGK-UHFFFAOYSA-N 324.808 2.609 0 40 DFAB COc1cccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)c1 72227963 PGFWIVGNULGNBR-GJZGRUSLSA-N 302.761 2.764 0 40 DFAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccccc4)oc3c2)C1 70461280 AKOAKGSDNFCDFK-LBPRGKRZSA-N 322.320 2.932 0 40 DFAB C[C@H]1CN(c2ccc(N[C@@H]3C[C@@H](C)OC3=O)cc2F)C[C@@H](C)O1 79029618 RRNALEAXKDHPIT-MCYUEQNJSA-N 322.380 2.555 0 40 DFAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 223036824 UYHLZXCFBQZLJW-LSDHHAIUSA-N 317.414 2.684 0 40 DFAB COc1ccccc1NC(=O)NC[C@H]1COc2ccccc2O1 43465887 IKDIEGONEKJIGE-LBPRGKRZSA-N 314.341 2.657 0 40 DFAB Brc1ccc(O[C@H]2CCNC2)c(Br)c1 42776146 VLVCUKPCHYAILC-QMMMGPOBSA-N 321.012 2.952 0 40 DFAB Cc1ccc(C(=O)CCN2CCCC[C@@H]2Cn2ccnn2)cc1 195568732 FUOSWWWCKWTCHE-QGZVFWFLSA-N 312.417 2.714 0 40 DFAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 519772772 LSWUCAIMDHMJFO-DOMZBBRYSA-N 307.365 2.860 0 40 DFAB CCO[C@H]1C[C@@H](NC(=O)NCc2scnc2C)C12CCCC2 96439856 MCAQFHPVBRBVBD-KGLIPLIRSA-N 323.462 2.989 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(C)CC1 96241784 HMFTXKJUUBUJHX-INIZCTEOSA-N 301.434 2.674 0 40 DFAB C[C@@H](N[C@@H]1CCN2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F 96484352 YDMLKFFQWJASGX-ZFRZLUBXSA-N 310.388 2.603 0 40 DFAB COc1cc(CN(C(=O)c2ccncc2F)C2CC2)ccc1O 95445901 BEXRQFJTURRTTE-UHFFFAOYSA-N 316.332 2.740 0 40 DFAB O=C(N[C@@H]1CCc2ccccc21)N1CC[C@@H](Oc2cccnc2)C1 96474760 WQKYCAGHIFSUHY-SJLPKXTDSA-N 323.396 2.932 0 40 DFAB CN(Cc1ccco1)C(=O)CNc1ccn(-c2ccccc2)n1 96453371 GHQLKFYQXZVMOC-UHFFFAOYSA-N 310.357 2.536 0 40 DFAB Cc1[nH]nc2ncc(CN3CC(COc4ccccc4)C3)cc12 581355865 PRJJZBKXRFHQBZ-UHFFFAOYSA-N 308.385 2.777 0 40 DFAB CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccsc2)c1 96408975 WIKHBMMJACOUSF-HNNXBMFYSA-N 305.399 2.999 0 40 DFAB COC[C@@H]1CN(C)C[C@@]12CCN(Cc1ccccc1Cl)C2 96220181 OOQICNUWUJLMAO-DOTOQJQBSA-N 308.853 2.740 0 40 DFAB C[C@H](C1CC1)n1nccc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 96418200 DCINFJDHOUJXTA-MEBBXXQBSA-N 315.348 2.935 0 40 DFAB CCC(=O)N1CC[C@@H](NC(=O)Nc2cc(CC)ccc2CC)C1 96475028 UKRAMIWSICOPFO-OAHLLOKOSA-N 317.433 2.944 0 40 DFAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)CCc1cccs1 257247949 JBHGBIWGDDBMEA-HUUCEWRRSA-N 320.458 2.683 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)c2ccccc21 257324234 WNTUKXQBHQHKST-AWEZNQCLSA-N 320.396 2.988 0 40 DFAB O=C(Cc1ccccc1F)N1CCC[C@@H](Cc2ccn[nH]2)C1 257276381 NTLNXUZGTFMPOV-ZDUSSCGKSA-N 301.365 2.573 0 40 DFAB CNc1cncc([C@@H]2CCCN2Cc2nccn2C(C)C)n1 257305108 SOLZZTBTKWRKGT-AWEZNQCLSA-N 300.410 2.633 0 40 DFAB Cn1nc(CNC(=O)NCc2cccs2)cc1-c1ccco1 85471382 DSYUCAJPWGTDOX-UHFFFAOYSA-N 316.386 2.741 0 40 DFAB COc1ccc(C(=O)N2CCC[C@@H]2c2cnccn2)cc1F 257250016 JKQRVZNHTWYEOP-CQSZACIVSA-N 301.321 2.602 0 40 DFAB Cc1cnccc1CN1CC[C@](O)(COc2ccccc2C)C1 585275903 GJZAGMAEKBENCY-LJQANCHMSA-N 312.413 2.714 0 40 DFAB C[C@@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCO1 44308866 WOPHHDKHSWRUCA-SNVBAGLBSA-N 301.346 2.958 0 40 DFAB NC(=O)C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 75109237 NWCGFGQPEHHBBM-SNVBAGLBSA-N 316.188 2.769 0 40 DFAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1noc(C2CC2)n1 84451938 GVIQZXIJGRTHHJ-CQSZACIVSA-N 323.356 2.801 0 40 DFAB COc1ccc2nc3c(cc2c1)CN(CC1CC1)C(=O)[C@@H](C)O3 12115587 PSKZQDUQLIBLRR-LLVKDONJSA-N 312.369 2.763 0 40 DFAB COc1cccc2c1cc(C(=O)NCCC[C@H]1CCOC1)n2C 12148657 YQNNDVVGYGEVHC-ZDUSSCGKSA-N 316.401 2.733 0 40 DFAB O=C(CNC(=O)NCc1ccccc1)Nc1ccc(Cl)cc1 12460322 YXBCOIKWYWILSA-UHFFFAOYSA-N 317.776 2.778 0 40 DFAB CCN1CCN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)CC1 16740203 UJMZWXXXCHTYJA-UHFFFAOYSA-N 318.417 2.521 0 40 DFAB c1cc(OCC2CC2)ncc1CNC1CCC2(CC1)OCCO2 155510360 BWYWETGDHDGMFW-UHFFFAOYSA-N 318.417 2.646 0 40 DFAB O[C@H](c1ccccc1)C1(CNC2CCC3(CC2)OCCO3)CC1 156870363 RYXPZJOICCHHGM-QGZVFWFLSA-N 317.429 2.776 0 40 DFAB CC(C)CCOc1cccc(OCC(=O)NC[C@H]2CCCO2)c1 3197931 FXAILPOEBLNDSL-QGZVFWFLSA-N 321.417 2.786 0 40 DFAB CCc1cccc(C)c1Nc1nnc(SCC(N)=O)s1 9616833 PJQMUDBFHMPLTR-UHFFFAOYSA-N 308.432 2.730 0 40 DFAB CCOC(=O)c1[nH]c(C)c(C(=O)NOCc2ccccc2)c1C 25282815 ZQSNALYVWOLMKN-UHFFFAOYSA-N 316.357 2.670 0 40 DFAB CCCC[C@H](CC)CNC(=O)N[C@@H](CCSC)C(=O)O 5196777 KXHMAMLBPIWOAY-RYUDHWBXSA-N 304.456 2.708 0 40 DFAB Nc1nc(SCc2ncc(-c3ccc(Cl)cc3)o2)n[nH]1 8757234 OOCFMEBLXKRSBQ-UHFFFAOYSA-N 307.766 2.988 0 40 DFAB O=C(c1csc(-c2ccccc2)n1)N1CCn2nccc2C1 238826050 DTSBBBCZYXQEKY-UHFFFAOYSA-N 310.382 2.663 0 40 DFAB CC(C)c1nnc(N2CCC(NC(=O)C(C)(C)C)CC2)s1 2087121133 HOYNZNDKPMTJCR-UHFFFAOYSA-N 310.467 2.793 0 40 DFAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 2055824371 JPLLQCTYUZMVEM-CQSZACIVSA-N 317.433 2.562 0 40 DFAB Cn1cc([C@@H]2CN(C(=O)c3cscn3)Cc3ccccc32)cn1 575618004 CZPJRKLBTYULFY-HNNXBMFYSA-N 324.409 2.665 0 40 DFAB O=C(NCc1cn(-c2ccsc2)nn1)Nc1cccs1 585408345 LYKDLFSIGMZGDI-UHFFFAOYSA-N 305.388 2.712 0 40 DFAB Cc1ccc([C@@H](CNc2nc(C)nc3c2cnn3C)N(C)C)cc1 67383135 IISXERIBKKGSCW-MRXNPFEDSA-N 324.432 2.695 0 40 DFAB COc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1OC 30986789 RPBHNDMWFKZLPG-UHFFFAOYSA-N 318.348 2.842 0 40 DFAB O=C(NCc1ccccn1)c1c[nH]c2cc(Cl)ccc2c1=O 31816708 QMKYVGLYRVVGCK-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB CCOC(=O)C1CCN(c2ncnc3c(C)csc23)CC1 118085 IYJGGWMJIDYZNP-UHFFFAOYSA-N 305.403 2.779 0 40 DFAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F 51261763 MFXCVEFHWLJWSR-AWEZNQCLSA-N 323.339 2.708 0 40 DFAB O=C(C[C@H]1OC(=O)c2ccccc21)NCCc1cccc(F)c1 32745062 GQIJRLSAXDCRAQ-MRXNPFEDSA-N 313.328 2.786 0 40 DFAB CCCC(=O)NC(=S)Nc1ccc(Br)c(C)n1 359974 KMMJUBZNJRSBDQ-UHFFFAOYSA-N 316.224 2.766 0 40 DFAB CNC(=O)Oc1cccc(-c2cn3cc(Cl)ccc3[n+]2C)c1 387378 JQTPOOPKVWNOKN-UHFFFAOYSA-O 316.768 2.802 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc(Cl)cn1C 22003062 DOVVWBSVOVENGX-JQWIXIFHSA-N 312.797 2.530 0 40 DFAB COc1cccc(-c2nnc(SCc3ccccc3)n2N)c1 532824 VUEIRLGDXCWSRK-UHFFFAOYSA-N 312.398 2.960 0 40 DFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)cc1 537205 MSOFVSJUXSSERS-UHFFFAOYSA-N 311.385 2.595 0 40 DFAB Cc1occc1C(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 53843351 XQNDWSUKAJMLDU-UHFFFAOYSA-N 302.355 2.928 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)c1ccc(N(C)C)c(F)c1 104144779 MRRVCRZVZREVCK-KNTRCKAVSA-N 301.365 2.691 0 40 DFAB COc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 260264 MRPHFDLRVFTMLW-UHFFFAOYSA-N 324.380 2.752 0 40 DFAB biogenic COCCN(CCOC)C(=O)c1cc(Cl)ccc1Cl 47654202 FTAYBGSMBJZIKU-UHFFFAOYSA-N 306.189 2.728 0 40 DFAB Cc1cccc(C2(CNC(=O)c3nccnc3N)CCCC2)c1 78697584 GLVMACAOVFUJMY-UHFFFAOYSA-N 310.401 2.609 0 40 DFAB CC[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccc(C)cc1 1328611 BECGRTJZPQITGU-CQSZACIVSA-N 301.342 2.840 0 40 DFAB O=C(Nc1nnc(-c2cccnc2)s1)c1cccc(F)c1 1356163 WWIYQERYEQIOMF-UHFFFAOYSA-N 300.318 2.992 0 40 DFAB CCC(=O)N1CC[C@@H](NC/C=C/c2ccccc2OC)[C@@H](C)C1 78897165 VIOQKWVXXDYDMU-PRLJZHDASA-N 316.445 2.945 0 40 DFAB Cc1cc(=O)n(-c2ccccc2)c2[nH]n(-c3ccccc3)c(=O)c12 1616807 BSRLEDPNDOKGSM-UHFFFAOYSA-N 317.348 2.778 0 40 DFAB Cn1cc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cn1 79511406 NCDYUCJCFRIHAF-OAHLLOKOSA-N 302.353 2.798 0 40 DFAB C[C@@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1cccnc1 88479896 ZIJJNMPWNVFQLF-DYVFJYSZSA-N 305.422 2.773 0 40 DFAB O=C(NCc1ccccc1)NCc1cnn(-c2ccccc2)c1 25223635 RLYJMRJDBHYAKO-UHFFFAOYSA-N 306.369 2.872 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 6459651 DCKUFPHVPPIJMX-UHFFFAOYSA-N 322.364 2.788 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCCCc1ccccc1 6699603 MFRBGFQLDDSTEI-TWMKSMIVSA-N 313.397 2.648 0 40 DFAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@H]2CCC[C@@H]21 56197095 OSTSYVRVZITTDD-RYUDHWBXSA-N 314.307 2.802 0 40 DFAB Cn1cnnc1SCc1nc(-c2ccc(Cl)cc2)no1 7577952 SSJPVPKRCUOSBS-UHFFFAOYSA-N 307.766 2.811 0 40 DFAB Cc1csc(CN2CCCN(Cc3nc(C)cs3)CC2)n1 88576380 SVLBHYAMDXZAEL-UHFFFAOYSA-N 322.503 2.924 0 40 DFAB Cc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1F 27025368 DXAJEMURACCXFV-UHFFFAOYSA-N 308.397 2.693 0 40 DFAB CCc1noc(CN(C)Cc2ccccc2N2CCCC2)n1 44897050 QTUPTJDYQVDLOK-UHFFFAOYSA-N 300.406 2.864 0 40 DFAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccncc3)cnc21 44893202 KPVGOZNBKKJFIB-GFCCVEGCSA-N 309.373 2.898 0 40 DFAB C[S@](=O)c1cccc(NC(=O)NCCC[C@H]2CCCCO2)c1 95940611 QGMOXZCVXKSJAO-JLCFBVMHSA-N 324.446 2.895 0 40 DFAB CCCN(CC(=O)NC)C(=O)Cc1ccc(-c2ccccc2)cc1 58229107 POIAPYFVGFPOTQ-UHFFFAOYSA-N 324.424 2.881 0 40 DFAB CCC[C@H](C)N(C)C(=O)c1nnn(-c2cccc(OC)c2)c1C 44919247 QBUHXPOTKVIOON-LBPRGKRZSA-N 316.405 2.845 0 40 DFAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1F)c1ccccc1 9232497 GDEOHXQXNSXHQH-LBPRGKRZSA-N 300.333 2.684 0 40 DFAB Cc1cc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)n(C)n1 58311478 UFBLIGJMGPWQOO-UHFFFAOYSA-N 323.400 2.842 0 40 DFAB Cc1ccc(O)c(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 58323688 GPXIEUCTGNRQPG-UHFFFAOYSA-N 322.368 2.787 0 40 DFAB CCCS(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 58341877 QGDRSWCAWSGFFL-UHFFFAOYSA-N 324.377 2.842 0 40 DFAB CC1(CCNC(=O)N[C@H]2CCCc3cc(F)ccc32)OCCO1 95940166 FWAJHZBYJFRVAA-HNNXBMFYSA-N 322.380 2.655 0 40 DFAB c1cc(N2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)ncn1 107712573 WFXUVGWGGVDIBB-WMZOPIPTSA-N 317.433 2.669 0 40 DFAB COc1cccc([C@@H](CNC(=O)C2CCC2)N2CCCC2)c1 36350579 WCRQRLLLWVYYHC-QGZVFWFLSA-N 302.418 2.748 0 40 DFAB COC(=O)[C@H](CCSC)NC(=O)Nc1cc(C)ccc1C 2428300 JFWDPHOIKWYTHA-LBPRGKRZSA-N 310.419 2.720 0 40 DFAB Cc1nccn1Cc1cccc(CNC(=O)c2ccccn2)c1 29670728 NVTMRAFRMUAFJS-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB O=C(NCc1csc(C2CC2)n1)c1ccc2c(c1)OCO2 69750876 MEBMTNGKVTWLSS-UHFFFAOYSA-N 302.355 2.679 0 40 DFAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1ccccn1 48346750 YULNZDZRUKMTKJ-UHFFFAOYSA-N 312.373 2.687 0 40 DFAB Cc1cccc(C)c1OCCN1C(=O)N[C@@H](CC(C)C)C1=O 3443733 QOHTXJCUBRMAMH-AWEZNQCLSA-N 304.390 2.649 0 40 DFAB COc1ccccc1CNC(=O)COc1ccc2c(c1)CCC2 3494328 UMLZLKOLVZJAAQ-UHFFFAOYSA-N 311.381 2.879 0 40 DFAB CCCNC(=O)CSc1nnc(-c2cccs2)n1CC 3597708 SZPQHEFFIHAOLR-UHFFFAOYSA-N 310.448 2.645 0 40 DFAB CCOc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3607216 GQKPEKUWAXVVQJ-UHFFFAOYSA-N 315.325 2.832 0 40 DFAB COC(=O)c1[nH]nc(-c2ccccc2OC)c1Br 38478438 YJEOYOQLNQHZAZ-UHFFFAOYSA-N 311.135 2.634 0 40 DFAB COCC[C@H](C)NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 95418937 KBVPMXRKVCNXJE-GOEBONIOSA-N 305.422 2.698 0 40 DFAB CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2c1=O 9364144 ISGKIJDMCLJGKV-IUODEOHRSA-N 313.401 2.725 0 40 DFAB COc1ccccc1/C(C)=C/C(=O)O[C@H]1C(=O)OCC1(C)C 65578759 YUEFYRVMQKUOAS-GDXASINISA-N 304.342 2.593 0 40 DFAB CC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CCC2)C1CCCC1 14122395 LSUNJTCHONUXFB-QGZVFWFLSA-N 300.402 2.809 0 40 DFAB C[C@H](OC(=O)CCCCCc1ccc(O)cc1)C(=O)NC1CC1 65607933 BLGIIXZNXTTZFO-ZDUSSCGKSA-N 319.401 2.705 0 40 DFAB CC[C@H](COC)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 95422876 DPNGXVOWMDOPEA-OAHLLOKOSA-N 324.852 2.959 0 40 DFAB CC(=O)Nc1cccc(C(=O)N(C)CCOc2ccccc2)c1 6786966 AUZYINQUWSWYQP-UHFFFAOYSA-N 312.369 2.796 0 40 DFAB COc1cc(F)cc(CNC(=O)NCCc2ncc(C)s2)c1 94036479 RNMAYYMWLVOLTR-UHFFFAOYSA-N 323.393 2.641 0 40 DFAB O[C@@H](CN[C@H]1CCCc2ccccc21)COCc1ccco1 5936047 RVSVIQBLLVPPDG-YJBOKZPZSA-N 301.386 2.824 0 40 DFAB Oc1ccc(-n2nnnc2SC[C@@H]2CC2(Cl)Cl)cc1 7293818 KZOBFGVDCUKVOR-ZETCQYMHSA-N 317.201 2.654 0 40 DFAB CCS[C@@H]1CCCCN(C(=O)c2ccc3[nH]nnc3c2)C1 71899423 QYQXKYQCMVQATA-GFCCVEGCSA-N 304.419 2.706 0 40 DFAB COc1cccc(C2(C(=O)NCc3cnn(C)c3)CCCC2)c1 71889010 UZOMSSGBGJGMOG-UHFFFAOYSA-N 313.401 2.557 0 40 DFAB Cc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1 8012340 QWUVVORTKVOJMW-UHFFFAOYSA-N 322.397 2.911 0 40 DFAB CCN1CCN(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 68964855 BSDZJNVFDZPTDM-OAHLLOKOSA-N 316.367 2.550 0 40 DFAB Cc1cccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 8104517 WMTZXICVQLXJQC-UHFFFAOYSA-N 319.382 2.813 0 40 DFAB Cc1cc(NC(=O)CCSC[C@@H](O)c2ccccc2)no1 69268276 ZICCMZAVYLKRAL-CYBMUJFWSA-N 306.387 2.778 0 40 DFAB COCCn1cc(NC(=O)c2cc3c(C)cc(F)cc3[nH]2)cn1 70039580 YTCSOGZWOZJGDB-UHFFFAOYSA-N 316.336 2.711 0 40 DFAB O=C(C1CC1)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71902981 RTLGNDBFDXXGOS-AWEZNQCLSA-N 312.335 2.844 0 40 DFAB O=C(CSC1=Nc2ccccc2CS1)NC[C@H]1CCCO1 9690385 XALYKVYPJVURDL-GFCCVEGCSA-N 322.455 2.949 0 40 DFAB c1ccc2cc(OCCCN[C@@H]3CCc4ncnn4C3)ccc2c1 69665008 MAXOWPZFKXKCRS-QGZVFWFLSA-N 322.412 2.805 0 40 DFAB COC(=O)[C@@H](O)C1CCN(Cc2cc3ccccc3s2)CC1 92014583 XGPFPDGCUPEIJC-INIZCTEOSA-N 319.426 2.647 0 40 DFAB CC(C)(C)OCc1cccc(CNC(=O)N2CCC[C@@H](O)C2)c1 69811464 JSKNDRYMNLWOLG-MRXNPFEDSA-N 320.433 2.668 0 40 DFAB Cc1c(C(=O)OCC(=O)c2ccc[nH]2)cnn1-c1ccccc1 9049199 DWGCNBQZJRRUCM-UHFFFAOYSA-N 309.325 2.549 0 40 DFAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1ccc2[nH]ccc2c1 97018646 YLTPUTAAXNUASV-INIZCTEOSA-N 322.364 2.841 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)s2)C1 97017411 HJDVLXGCZQIBJS-LBPRGKRZSA-N 316.382 2.747 0 40 DFAB C[C@H](C(=O)O)[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1 97018297 UMCKBUBBVDEMFN-YVEFUNNKSA-N 315.344 2.946 0 40 DFAB COc1ccc(C)cc1[C@H](C)NC[C@@H]1CNc2cc(C)nn2C1 72273338 GQNNCHGAGRUBMO-LSDHHAIUSA-N 314.433 2.901 0 40 DFAB Cc1cc(F)c(S(=O)(=O)Nc2ncccc2F)cc1F 95994110 XXYJPWZKYQVPQZ-UHFFFAOYSA-N 302.277 2.608 0 40 DFAB Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(O)nn3)nc12 97230892 QLYMMZQHWBTEDS-UHFFFAOYSA-N 314.732 2.945 0 40 DFAB O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCCN2CCCCC2)C1 95946163 YRCGBHCMBQMKIW-QAPCUYQASA-N 324.415 2.949 0 40 DFAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc2c(c1)CCO2 84585504 UOYOWNPDHGOUCL-UHFFFAOYSA-N 320.348 2.575 0 40 DFAB C[C@@H](O)CC(C)(C)CNC(=O)Cc1cc(-c2ccccc2)on1 84636968 LMDLSGIVIZFLBG-CYBMUJFWSA-N 316.401 2.797 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c(C)c1 89587568 RIFYQVOZZPOPEC-LBPRGKRZSA-N 301.342 2.988 0 40 DFAB Cc1sc(C(=O)Nc2nnn[nH]2)cc1-c1ccc(F)cc1 89536660 TTXAXGPFVWKLMB-UHFFFAOYSA-N 303.322 2.628 0 40 DFAB Cn1cnnc1SC[C@H](O)c1ccc(OC(F)(F)F)cc1 89761950 QTFSCISJVJVQKQ-JTQLQIEISA-N 319.308 2.539 0 40 DFAB O=C(Nc1n[nH]c2c(Cl)cccc12)[C@H]1CCn2ccnc2C1 89878119 SYEIVLKHLHNXOR-VIFPVBQESA-N 315.764 2.614 0 40 DFAB C[C@@H](CC[C@H]1CCCO1)NC(=O)CSCc1cscn1 89895337 FJLLWHWZAJCSEB-WCQYABFASA-N 314.476 2.840 0 40 DFAB CCN(CC)CCCNS(=O)(=O)c1ccc2ccccc2c1 75567970 LTAOXIAPRWABIT-UHFFFAOYSA-N 320.458 2.850 0 40 DFAB CCc1nc([C@@H]2CCCN2c2ncnc3ccsc23)no1 75573008 KNZFRGDQMLULPY-JTQLQIEISA-N 301.375 2.978 0 40 DFAB CCCC(=O)N[C@H](NCc1ccco1)C(Cl)(Cl)Cl 27024881 SLFKPUFXAQOPMO-JTQLQIEISA-N 313.612 2.982 0 40 DFAB O=C(C1CC1)N1CCC2(CC1)Cc1ncc(-c3ccncc3)n1C2 306125807 DCVWBGGTWAMPSQ-UHFFFAOYSA-N 322.412 2.520 0 40 DFAB O=c1c2ccccc2nc(O)n1CC1(c2ccccn2)CCC1 556776247 UMIIOOBBXLVJLC-UHFFFAOYSA-N 307.353 2.619 0 40 DFAB O=C(O)c1cccc(N2C(=O)CC3(CCCCCC3)C2=O)c1 64875798 RYBDTDQUYJTIJK-UHFFFAOYSA-N 301.342 2.989 0 40 DFAB O=C1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)N1 69925372 TZYDXOXSDQQYSV-DZGCQCFKSA-N 306.793 2.576 0 40 DFAB CCn1ccnc1[C@H]1CCCCN1Cc1nnc(C2CC2)o1 555462575 QXJAJTNXDCWAHU-CYBMUJFWSA-N 301.394 2.891 0 40 DFAB CC(C)CN1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216526 BZBXJFATXIPELZ-KRWDZBQOSA-N 302.466 2.626 0 40 DFAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1csnn1 79001993 SQKSJQAUQHETRK-ZDUSSCGKSA-N 323.393 2.901 0 40 DFAB Cc1nc(CSCc2cc(=O)n3ccsc3n2)cs1 78555541 WMSUZQHXXJSAAV-UHFFFAOYSA-N 309.441 2.954 0 40 DFAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1cccc(F)c1 36635738 YBAPFTUWBKLZAO-AWEZNQCLSA-N 302.280 2.709 0 40 DFAB COc1ccc(-n2c(C)c(C(=O)O)cnc2=S)c(OC)c1 217676689 AQXSMQQOPCKLSS-UHFFFAOYSA-N 306.343 2.626 0 40 DFAB CNC(=O)c1cccc(CCNc2nccc(C(F)(F)F)n2)c1 77229276 AFXFNEYWTVVGRS-UHFFFAOYSA-N 324.306 2.510 0 40 DFAB C[C@@H]1CCCN(c2ncc3c(n2)CN(C2CCCC2)C3=O)C1 46088018 HKBLPNJGHUUQSJ-GFCCVEGCSA-N 300.406 2.611 0 40 DFAB Cc1noc(C)c1C(=O)NC[C@@H](O)c1csc2ccccc12 225694996 XYADYHTWHUSTFO-CYBMUJFWSA-N 316.382 2.970 0 40 DFAB COCc1nc2c(s1)CN(C(=O)c1ccccc1F)CC2 41194435 PVDUCXAJPHOWJZ-UHFFFAOYSA-N 306.362 2.627 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccs3)C2)nn1 225430482 NNNHKKFCQJJFSB-NSHDSACASA-N 304.375 2.532 0 40 DFAB COCc1cc(C(=O)NCc2ccc(OC)cc2)ccc1OC 224394318 XHJAAZQNJKLLEI-UHFFFAOYSA-N 315.369 2.780 0 40 DFAB O=C(NCCOC[C@@H]1CCCO1)c1c(Cl)cccc1Cl 81751475 QXVYFPTYPMIYGE-JTQLQIEISA-N 318.200 2.919 0 40 DFAB CCN(CC)C(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O 225430734 JOJOPVBXQULMTA-NSHDSACASA-N 318.373 2.886 0 40 DFAB biogenic,in-vitro Cc1ccc(C)c([C@H](C)NC(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 195530546 MEQYLQFEIRAROV-TVYYEHBDSA-N 322.474 2.915 0 40 DFAB Cc1[nH]ccc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 96473615 IWQWMKYNBCEJII-UHFFFAOYSA-N 313.279 2.546 0 40 DFAB CN1CCC[C@@H](CNC(=O)N(CCC(F)(F)F)C2CCC2)C1 96460796 ICZGJNDRAULDKQ-LBPRGKRZSA-N 321.387 2.845 0 40 DFAB O=C(c1cccnc1)N1CC2(CCNCC2)c2cc(F)ccc21 96161057 LIZKSHQXAYELRE-UHFFFAOYSA-N 311.360 2.502 0 40 DFAB Cc1cc(F)ccc1-c1ccc(C(=O)OCC(N)=O)cc1F 96409690 OWYLKNHDGVTZFN-UHFFFAOYSA-N 305.280 2.582 0 40 DFAB CC[C@H]([C@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96519533 ITMKHERBOBIMBF-VXGBXAGGSA-N 321.236 2.696 0 40 DFAB CCO[C@@H]1C[C@@H](N[C@@H]2CCc3nc(C)cn3C2)C12CCCC2 96493381 LZGUFXHAHGLLLM-BZUAXINKSA-N 303.450 2.834 0 40 DFAB CN1C(=O)C[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 96181139 REPZYLPHNDMQMH-DOMZBBRYSA-N 306.431 2.716 0 40 DFAB CC1(C)C[C@@H](N[C@H]2CCN(c3ncccc3F)C2)C(C)(C)O1 95423725 NYFFRXAEEGCHGA-GXTWGEPZSA-N 307.413 2.735 0 40 DFAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(C(=O)N(C)C)C3)n1 96109304 RPMREIBEDHBOHV-QAPCUYQASA-N 317.433 2.690 0 40 DFAB C[C@@H](NCCCCn1ccccc1=O)c1ccc2c(c1)OCO2 95421255 ZTDJCDBHQGMXGP-CQSZACIVSA-N 314.385 2.708 0 40 DFAB CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 96186637 NFBWXMJYGDZUQB-PMPSAXMXSA-N 319.401 2.574 0 40 DFAB CO[C@H]1CCCOC12CCN(Cc1cccc(C(=O)O)c1)CC2 257337780 YUIDXQBVSVFHHQ-INIZCTEOSA-N 319.401 2.545 0 40 DFAB CC(C)n1nccc1CNCc1cc(C(F)(F)F)nn1C 256050692 GDRHBDHKPRVJAH-UHFFFAOYSA-N 301.316 2.506 0 40 DFAB c1ccc(CCN2CCC3(CC(Nc4ccncn4)C3)C2)cc1 257208404 BMAKWPYNMQIRPZ-UHFFFAOYSA-N 308.429 2.986 0 40 DFAB CN(C)c1cccc(C(=O)NCc2cc(-c3ccco3)n(C)n2)c1 85471325 ZWWCANKQAXWYMV-UHFFFAOYSA-N 324.384 2.676 0 40 DFAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2c2ccnc(C)n2)n1 257259602 KZBQKTVKHYHJLJ-OAHLLOKOSA-N 321.388 2.615 0 40 DFAB CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1c(F)cccc1Cl 252508329 XKKXYRUYFAAUMM-DTWKUNHWSA-N 301.745 2.797 0 40 DFAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC[C@@](C)(C(N)=O)C2)CC1 585283463 ONNCCPLDSCQYGG-OLMNPRSZSA-N 310.482 2.541 0 40 DFAB C[C@@H](CNC(=O)C1(c2ccccn2)CC1)Oc1cccc(F)c1 585141311 SMLARIREEGVDGD-ZDUSSCGKSA-N 314.360 2.836 0 40 DFAB Clc1ccc2ncc(-c3cnc(C[C@@H]4CCNC4)cn3)n2c1 585262896 COJLNKLRPXLIFF-NSHDSACASA-N 313.792 2.597 0 40 DFAB Cc1csc([C@H](NC(=O)N[C@H]2CCCC[C@@H]2O)C2CC2)n1 74668240 GPTYOPBQHKZFBI-RWMBFGLXSA-N 309.435 2.505 0 40 DFAB Cc1ncnc(OCC2CCN(C(=O)[C@@H]3CC3(C)C)CC2)c1C 1565522433 PUWDWBRMVIZRSG-HNNXBMFYSA-N 317.433 2.757 0 40 DFAB CN(Cc1nccn1C(F)F)C(=O)NC[C@@]1(C)CCCS1 89919360 ZZBUYWOQKJHUSO-CYBMUJFWSA-N 318.393 2.705 0 40 DFAB NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 97373808 FAMFNSCLSSRXKB-UHFFFAOYSA-N 383.467 3.549 0 40 DFAB CCc1ncc(CN2C[C@H]3C(c4cccc(C)c4)=NO[C@H]3C2)cn1 12276704 LVILTHVWZVEEJY-SJORKVTESA-N 322.412 2.582 0 40 DFAB CC1CCN(C(=O)CCNC(=O)c2ccccc2Cl)CC1 12737870 KKGGETOAZJUBRX-UHFFFAOYSA-N 308.809 2.718 0 40 DFAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)CO2 13012824 QMADQOVXGYFETE-UHFFFAOYSA-N 316.744 2.852 0 40 DFAB COc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 13122131 UNCMYOBVUKMFSC-STQMWFEESA-N 313.386 2.890 0 40 DFAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 15674735 FVTIYGRIDHYCGZ-HIFRSBDPSA-N 317.389 2.510 0 40 DFAB biogenic,in-vitro O=C(COc1ccc(Cl)cc1)NCCOc1ccccc1 17849991 GIWKQKKQKWLAQR-UHFFFAOYSA-N 305.761 2.914 0 40 DFAB Oc1ccccc1-c1nc2cnccn2c1NC[C@H]1CCCO1 19368283 SWIWSBCBJKWQMA-GFCCVEGCSA-N 310.357 2.693 0 40 DFAB CCCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 19502467 ZBBXCMIZKLBGOI-ZDUSSCGKSA-N 314.389 2.503 0 40 DFAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 6621520 YGTMCRFFSFWHOX-MISXGVKJSA-N 304.415 2.948 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc3c(c2)nc(O)n3C)CC(C)(C)C1 542441081 RVCHSVWLAGSJGH-NSHDSACASA-N 301.390 2.787 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565548990 KPUOZPJOQODCKQ-YFHUEUNASA-N 309.450 2.857 0 40 DFAB Cc1nc([C@H]2C[C@H]3CN(C(=O)C4(F)CC4)C[C@H]3O2)sc1C 1565541778 YEGOPNZJADIPDW-QJPTWQEYSA-N 310.394 2.550 0 40 DFAB COC(=O)CCc1c(Br)cncc1Br 1565504770 FCVQMFJDCQUFKC-UHFFFAOYSA-N 322.984 2.712 0 40 DFAB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1cccnc1)C(=O)O 5258854 QWASCNVATZKQDE-DZGCQCFKSA-N 321.421 2.669 0 40 DFAB COCCN1CC[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 2055745923 QHPOZCIVVNWKQW-PBHICJAKSA-N 310.388 2.507 0 40 DFAB O=C1c2ccccc2C(=O)N1C[C@H]1CCCN1c1ccccc1 206583095 HUEMOZJDZLRRMD-OAHLLOKOSA-N 306.365 2.952 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)NCc1ccc(C2CC2)nc1 606440531 WHOJGCSCRSPDKK-UHFFFAOYSA-N 310.353 2.547 0 40 DFAB CO[C@H](CNC(=O)C1CCOCC1)c1cc2ccccc2o1 618255811 JFGLDPJFTWVTGH-MRXNPFEDSA-N 303.358 2.663 0 40 DFAB CC[C@@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccccc1 40007763 CKSUTLPMWXPHGQ-ZWKOTPCHSA-N 318.461 2.653 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526569 QUCSEGTZDXGGBN-RISCZKNCSA-N 310.419 2.790 0 40 DFAB C[C@@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)C[C@@H](C)O1 40540526 ZVFHXZOFXWZMBC-NXEZZACHSA-N 300.305 2.929 0 40 DFAB C[C@H]1C[C@H](OC(=O)c2ccc(COc3ccccc3)o2)C(=O)O1 32736572 WEYPEJGBIHNUNX-NHYWBVRUSA-N 316.309 2.719 0 40 DFAB CC(=O)Nc1nc(C(=O)N2c3ccccc3C[C@@H]2C)cs1 32940440 PRSRGUNUGWCOOR-VIFPVBQESA-N 301.371 2.693 0 40 DFAB CC[C@H](C)C(=O)NCc1ccc(OC[C@@H]2CCCO2)c(OC)c1 32931009 YCFOLMOJPCBAED-ZFWWWQNUSA-N 321.417 2.915 0 40 DFAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCOC1 41373177 ITLDVUUNLMAKMG-LBPRGKRZSA-N 302.399 2.885 0 40 DFAB CCOC(CC[C@@H]1[C@@H](CO)c2ccccc2N1C(C)=O)OCC 481544 KCJQXHNSGBDBRB-DOTOQJQBSA-N 321.417 2.677 0 40 DFAB COc1cccc(CSc2nnc(-c3ccco3)n2N)c1 530474 JVVPZYYELBDIPN-UHFFFAOYSA-N 302.359 2.553 0 40 DFAB O=C(NCC(F)(F)F)c1cnn2c(-c3ccccc3)ccnc12 41689474 ZPGRERHRZYJWNQ-UHFFFAOYSA-N 320.274 2.688 0 40 DFAB COc1ncccc1CNC(=O)NC12CC3CC(CC(C3)C1)C2 47575716 FEBBPKAEIMQUPG-UHFFFAOYSA-N 315.417 2.858 0 40 DFAB COc1ccc(-c2nnc(NC(=O)C(F)(F)F)s2)cc1 366760 SOQWMNBDNBSCMH-UHFFFAOYSA-N 303.265 2.715 0 40 DFAB CC1(C)Cc2c(sc3c2C(=O)N[C@H](c2cccnc2)N3)CO1 529510 CFBAFCZVFIUQQR-ZDUSSCGKSA-N 315.398 2.849 0 40 DFAB CCNC(=O)C1CCN(C(=O)NC2CCCCCCC2)CC1 42952087 ONZYYGGMTOAXCR-UHFFFAOYSA-N 309.454 2.657 0 40 DFAB O=C(Oc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 411610 ZJGYKHWDFFSRJZ-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB CNC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 412295 GMWJOTIDNLBTCQ-QMMMGPOBSA-N 321.471 2.963 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 1329906 DXMDRSVAMZJJNU-HNNXBMFYSA-N 310.401 2.949 0 40 DFAB CC(C)NC(=O)Nc1cccc(C(=O)OC[C@H]2CCCOC2)c1 79105333 IJDDTJNOWUDNNF-ZDUSSCGKSA-N 320.389 2.800 0 40 DFAB CC(=O)O[C@@H]1c2ccccc2C(=O)[C@@]1(OC(C)=O)c1ccccc1 1578994 PFJGBIQOZIDXTR-MOPGFXCFSA-N 324.332 2.946 0 40 DFAB CCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1 1276325 NEJQYDGVLWDZGH-UHFFFAOYSA-N 322.365 2.597 0 40 DFAB COC(=O)c1ccc(NC(=O)CNC2CCCCCC2)cc1 3247494 SPUXCVXUYKOTHP-UHFFFAOYSA-N 304.390 2.724 0 40 DFAB CCOC[C@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 106853303 DAOSKGOFMABGLY-CABCVRRESA-N 324.490 2.544 0 40 DFAB COc1cccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 6486698 GUPNRIZDJCDSCS-SWLSCSKDSA-N 305.374 2.547 0 40 DFAB CCCCC[C@@H](C)NC(=O)Cn1cccc(C(F)(F)F)c1=O 43586697 KCLDWLWGPOLFLN-LLVKDONJSA-N 318.339 2.952 0 40 DFAB O=C(CN1CCC[C@H]1Cc1ccccc1)Nc1nccs1 25441862 RDCOIFGWFXOTIH-AWEZNQCLSA-N 301.415 2.789 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 35153173 NHTOKYQLFFUNIN-SECBINFHSA-N 301.795 2.817 0 40 DFAB CCc1ccsc1C(=O)N1CCOC[C@@H]1c1cccn1C 97144049 ALIGMENXPMYUOS-CQSZACIVSA-N 304.415 2.863 0 40 DFAB O=C(Nn1cnc2ccccc21)c1cc(-c2ccccc2)[nH]n1 12548302 BLGZPJGMECHKMY-UHFFFAOYSA-N 303.325 2.810 0 40 DFAB CCn1nnc2cc(C(=O)NCc3ccc(C)c(F)c3)ccc21 27170890 GOOMQKLUXIYUIB-UHFFFAOYSA-N 312.348 2.829 0 40 DFAB Cc1ccc(/C=C/C(=O)NCCCCN2CCCCC2=O)s1 58085002 YPIMAEKGMHWPKZ-MDZDMXLPSA-N 320.458 2.979 0 40 DFAB C[C@H]1CCc2c(sc(NC(=O)c3ccccn3)c2C(N)=O)C1 27931803 YWOIAELNEUUHEY-VIFPVBQESA-N 315.398 2.619 0 40 DFAB Cc1cccc(N(C)C(=O)CN2C(=O)COc3ccccc32)c1C 58201349 JLIMFTQACRXCGC-UHFFFAOYSA-N 324.380 2.692 0 40 DFAB O=C1N[C@H](c2ccc(OCc3ncon3)cc2)Nc2ccccc21 58230006 WTFBOVTVKTZFCA-MRXNPFEDSA-N 322.324 2.503 0 40 DFAB Cc1csc(-c2ccc(C(=O)NC[C@H]3CCCN3C)cc2)n1 58246098 BTXFOSYMWLYGLT-OAHLLOKOSA-N 315.442 2.943 0 40 DFAB O=c1[nH]c2ccccc2cc1CNc1nnc(C(F)F)s1 97115605 STFKGCUXMWLTHX-UHFFFAOYSA-N 308.313 2.929 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1csc(-c2ccccc2)n1 97197780 RTALYVXJBVOIOV-CYBMUJFWSA-N 324.409 2.751 0 40 DFAB CCSc1ccc(NC(=O)N[C@H](C)Cn2ccnc2)cn1 58437909 HIISBQFDAXUDKC-LLVKDONJSA-N 305.407 2.600 0 40 DFAB Cc1cc(C)n(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)n1 57352081 CLAZJCUXSIVAPF-UHFFFAOYSA-N 316.752 2.704 0 40 DFAB Fc1cc2ncc(N(C[C@H]3CCOC3)C3CC3)nc2cc1F 97145521 SRZUEQQYCPZNCH-SNVBAGLBSA-N 305.328 2.913 0 40 DFAB CCOc1ncccc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25330037 QSNVNYOMYMUUFF-AWEZNQCLSA-N 319.430 2.575 0 40 DFAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 28295944 BYGJCAXZKIDGKH-SMDDNHRTSA-N 321.398 2.650 0 40 DFAB COc1ccc2c(c1)c(C(=O)C(=O)N1CCCCC1)c(C)n2C 2353886 LDKOVVDFPADHBV-UHFFFAOYSA-N 314.385 2.691 0 40 DFAB CC[C@H](C)c1c(NS(=O)(=O)c2ccc(C)cc2)o[nH]c1=O 102045386 IEABSERHWBLRCB-JTQLQIEISA-N 310.375 2.591 0 40 DFAB O=S(=O)(CCSc1nccn1C1CC1)c1ccccc1 29625748 JIHWXEGDIJABIZ-UHFFFAOYSA-N 308.428 2.784 0 40 DFAB O=C(Nc1ncccc1O)c1ccc(N2CCCCCC2)nc1 29758236 CHQJRMWCQKLCLR-UHFFFAOYSA-N 312.373 2.815 0 40 DFAB CC(=O)Nc1ccc(Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 11905824 ZYZAHQMVPJBLDB-UHFFFAOYSA-N 321.340 2.534 0 40 DFAB CCCC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl 2664823 LFRZEOLXKJKWDQ-UHFFFAOYSA-N 305.161 2.979 0 40 DFAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@H]3CC(=O)CC[C@]3(C)[C@H]1[C@H](O)C2 118931724 NRRGYVQICKWYRF-ZYPGRWQASA-N 306.446 2.930 0 40 DFAB CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccn1 72414655 LJIYQVNUIRACTI-UHFFFAOYSA-N 313.762 2.901 0 40 DFAB CC(C)(C)c1ccc(O)c(NC(=O)c2cn3cccnc3n2)c1 60885051 BAZKOHMVSCMTJB-UHFFFAOYSA-N 310.357 2.985 0 40 DFAB O=C(O)CCCC(=O)Nc1ccc(Br)cc1F 2773350 VYWIAUJCZZOVJI-UHFFFAOYSA-N 304.115 2.782 0 40 DFAB CN1C(=O)C[C@H](COC(=O)C2=CCCC2)[C@H]1c1cccs1 95415969 NTYFLZMEQAHSBW-DOMZBBRYSA-N 305.399 2.921 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)SCc1ccc(Cl)cc1 12763165 NRCDVACNYHADCX-SECBINFHSA-N 300.811 2.807 0 40 DFAB CCCn1c(C)nnc1Cn1nc(C)c(Br)c1C 95448498 CNEUHPPEAAPSDJ-UHFFFAOYSA-N 312.215 2.621 0 40 DFAB CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 37988234 RUTDIVRTMCYPTQ-CMPLNLGQSA-N 302.827 2.982 0 40 DFAB COc1ccc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)c(C)c1 95425052 BFROHVAWEHGDEO-UHFFFAOYSA-N 317.341 2.875 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCC(C(=O)O)(c2ccccc2)CC1 13186688 DZHTXTXPRTYWIA-HNNXBMFYSA-N 313.397 2.988 0 40 DFAB Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc(O)ccc12 4084451 WSIVSNBLJHUGTH-UHFFFAOYSA-N 303.358 2.512 0 40 DFAB biogenic CCN(CC)C(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 4159800 ISCOLUZQFHRMAV-UHFFFAOYSA-N 324.380 2.694 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccccc1F 5086876 MONKYAIBTKJBEO-UHFFFAOYSA-N 301.317 2.859 0 40 DFAB O=C(NC1CCN(CCc2ccncc2)CC1)c1ccsc1 64991988 GYPAFTNFFBGFTE-UHFFFAOYSA-N 315.442 2.580 0 40 DFAB CCSc1nnc(NC(=O)c2sc(C)nc2C)s1 5183513 SHZHREQCVLDZHU-UHFFFAOYSA-N 300.434 2.976 0 40 DFAB Cc1cc(C(=O)NCc2cccnc2)c2cnn(C(C)C)c2n1 29899429 SEUJTRGAACMZBW-UHFFFAOYSA-N 309.373 2.646 0 40 DFAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1C1CC1 6290398 QJLFLHLTXJYXHS-UHFFFAOYSA-N 312.369 2.800 0 40 DFAB CC(=O)N(C)[C@H](c1ccccc1)c1nnnn1-c1ccc(C)cc1 5242952 BOIKYYQGFZFEKH-QGZVFWFLSA-N 321.384 2.538 0 40 DFAB Cc1nn(C)c(Cl)c1CNC[C@H]1COc2ccccc2C1 65465603 ACMHVRAYEQSTSN-LBPRGKRZSA-N 305.809 2.723 0 40 DFAB Cc1nc(C(C)(C)C)sc1C(=O)NCCNc1ccncc1 65402577 KMVYHOAXDHRIRG-UHFFFAOYSA-N 318.446 2.986 0 40 DFAB CC(C)CN1C[C@@H](C(=O)Oc2ccc3c(c2)CCC3)CC1=O 84544238 DEPRTHWQGBQTDR-HNNXBMFYSA-N 301.386 2.585 0 40 DFAB COc1ccccc1C1(CNC(=O)NCc2ccoc2)CC1 65614591 SRAJFPIBHNGOCV-UHFFFAOYSA-N 300.358 2.819 0 40 DFAB CCSCCOC(=O)c1[nH]nc(C2CC2)c1Br 65610113 JNYNWCKNFPXOOC-UHFFFAOYSA-N 319.224 2.960 0 40 DFAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCSCC1 65606255 MMOIGTUJZLKCAR-UHFFFAOYSA-N 303.387 2.600 0 40 DFAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 65612361 NNZAQTYNXDQVNZ-LBPRGKRZSA-N 322.352 2.649 0 40 DFAB O=C(/C=C/c1cnccn1)N[C@H]1CCCOc2ccc(F)cc21 65835005 LNTQTVAGYDNHOH-DRDHIDPGSA-N 313.332 2.659 0 40 DFAB COc1cc(F)ccc1NC(=O)N1CC[C@H](N2CCCC2)C1 66159153 JMXSHSMGIKLSKH-ZDUSSCGKSA-N 307.369 2.536 0 40 DFAB C[C@@H](NC(=O)COCC(=O)Nc1ccccc1)c1ccccc1 9355371 XNQQZKFWXPGTCL-CQSZACIVSA-N 312.369 2.519 0 40 DFAB Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2cncc(F)c2)c1 95420807 ULMQETKSWYHRPR-BBRMVZONSA-N 304.365 2.620 0 40 DFAB COc1cccc(CCC(=O)Nc2cc(C)ccn2)c1OC 9468345 MDRADOVIXSCPNM-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB COc1ccc(OC)c(CNc2cc(CN(C)C)ccn2)c1 95428438 UIXIHALSQLMIPT-UHFFFAOYSA-N 301.390 2.773 0 40 DFAB Oc1cc(-c2nc3c4c(ncn3n2)CCC4)c2ccccc2n1 9575241 CTYBLRNZKUHZHK-UHFFFAOYSA-N 303.325 2.534 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C)on2)cc1 74517482 ZCNOOUYYHYFXNE-GOEBONIOSA-N 300.358 2.942 0 40 DFAB CN(Cc1ccccn1)S(=O)(=O)Cc1ccccc1Cl 69325452 ZBERMLBAAFHJKL-UHFFFAOYSA-N 310.806 2.697 0 40 DFAB O=C(c1cnc(-c2ccccc2)s1)N1CCN(C2CC2)CC1 71836649 PCVJIGKFXIVXOA-UHFFFAOYSA-N 313.426 2.730 0 40 DFAB Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1 8324014 WARYURFUVUZJAS-UHFFFAOYSA-N 322.430 2.518 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2C)s1 8391477 PUJWXQQBOYTGFY-UHFFFAOYSA-N 323.399 2.584 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)NCCc2nccn2C(F)F)C1 69580542 WVRNOTQQOLFQSN-PHIMTYICSA-N 300.353 2.508 0 40 DFAB C[C@H](c1ccc(F)cc1F)N1CCN([C@H]2CCCN(C)C2)CC1 71909033 PRERJOMIHIBBEO-ZBFHGGJFSA-N 323.431 2.738 0 40 DFAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 69772088 QLANUQCWEUPLFH-MDZLAQPJSA-N 313.344 2.726 0 40 DFAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ncccn2)C1 8992211 NPRDLSYLPYGDMV-GFCCVEGCSA-N 316.792 2.985 0 40 DFAB O[C@@H](CN[C@@H]1CCCSC1)c1cccc(OC(F)F)c1 97084660 RIBWTQSDUCMVEU-YPMHNXCESA-N 303.374 2.807 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)CC1CCCCC1)C2 72279540 PYXARGGAWUMPDB-UHFFFAOYSA-N 302.422 2.764 0 40 DFAB CCN(C(=O)c1cn(-c2cccc(C)c2)nn1)c1cccnc1 89977069 AKYWTFZVKMUQAX-UHFFFAOYSA-N 307.357 2.637 0 40 DFAB CC(C)c1ccsc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76052799 JPSRUAVYDMAXQE-ZFWWWQNUSA-N 322.474 2.664 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)o1 110715510 YLZQNORTXCRHFK-REBRKWNGSA-N 320.389 2.592 0 40 DFAB Cc1csc(N2CCCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 110568354 FUNGWBMQULSKNR-KKUMJFAQSA-N 319.474 2.926 0 40 DFAB NC(=O)c1ccc2n(c1)cc(-c1ccccc1)[n+]2-c1ccccc1 26442229 BHQCKEMMBZYEFM-UHFFFAOYSA-O 314.368 2.982 0 40 DFAB Cn1cccc1C(=O)N1CCn2c(-c3ccsc3)cnc2C1 306139242 STAITIMAAQAIRL-UHFFFAOYSA-N 312.398 2.606 0 40 DFAB CCn1nc(C)c2c(C(=O)Nc3nc(C)cc(C)n3)cc(C)nc21 32648325 JCEQUYWSCVDBEV-UHFFFAOYSA-N 324.388 2.727 0 40 DFAB CCn1nc(C)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 32610286 OSGDRUQAOVVJRX-UHFFFAOYSA-N 313.336 2.993 0 40 DFAB C[C@H](OCc1ccccc1)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C 8239842 DMYNYZJGZSJUGU-JSGCOSHPSA-N 323.389 2.912 0 40 DFAB biogenic COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)c1 72227754 SCQVUQWLMTVESB-LSDHHAIUSA-N 302.761 2.764 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)c2ncccc2O)s1 127504923 WEWJYICNNRPRJV-JTQLQIEISA-N 305.403 2.948 0 40 DFAB COc1ccc(/C=C/C(=O)O)cc1Cn1nc(C)c(C)c1C 34925014 ZAFJKIIYGWCFEP-SOFGYWHQSA-N 300.358 2.963 0 40 DFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COCCOC 79320846 DSNAPKWBQNVCDB-DLBZAZTESA-N 305.418 2.834 0 40 DFAB c1nnc(Nc2cncc([C@H]3CCCN3CC3CC3)n2)s1 72376298 LXRDOXKUKZCWAI-GFCCVEGCSA-N 302.407 2.619 0 40 DFAB Nc1cc(CN2CCC3(CC2)OCCc2ccccc23)ccn1 572367515 NWACBOBWKYJAOL-UHFFFAOYSA-N 309.413 2.728 0 40 DFAB CCNC(=S)Nc1ccc(N2CCc3ccccc3C2)nc1 223868411 GTMVYVMJCQUFTD-UHFFFAOYSA-N 312.442 2.951 0 40 DFAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@@H](C)CC 225379005 KOXNSMYZKRBTDI-UONOGXRCSA-N 320.433 2.737 0 40 DFAB COCCNC(=O)c1nc2c(s1)CCCN2c1ccccc1 96146845 WQHZGMYSZJVPMU-UHFFFAOYSA-N 317.414 2.604 0 40 DFAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccn(C)c2)o1 96503269 CYDOBJLORYNDGZ-HNNXBMFYSA-N 317.389 2.811 0 40 DFAB c1ccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 96046954 BPWAAOKHTGOQAN-HXUWFJFHSA-N 322.456 2.965 0 40 DFAB CO[C@]1(C)C[C@@H](N(C)C(=O)NCCc2ccc(O)cc2)C1(C)C 331418491 LEFCHIBICWCACU-CRAIPNDOSA-N 320.433 2.780 0 40 DFAB O=C1NCCCc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc21 95380499 ALZWMZCROSPUTD-UHFFFAOYSA-N 313.254 2.911 0 40 DFAB c1csc(CN2CCc3ncnc(N4CCCC4)c3CC2)c1 96058715 NKRPLFDEPZYGCH-UHFFFAOYSA-N 314.458 2.739 0 40 DFAB O=C(Nc1c[nH]ccc1=O)c1cccc(-c2noc(C3CC3)n2)c1 96430864 JARGZUFMHCYJGI-UHFFFAOYSA-N 322.324 2.555 0 40 DFAB C[C@H](CN(C(=O)c1cnc(-c2ccoc2)s1)C1CC1)C(=O)O 97231859 MQMFRJVHPURFFZ-SECBINFHSA-N 320.370 2.728 0 40 DFAB Cn1c(CO)cnc1SCCCc1nc2ccccc2o1 96444636 FAFSRDUDAXEGQK-UHFFFAOYSA-N 303.387 2.779 0 40 DFAB Cn1ccc2ccnc(CC3CN(C(=O)c4cccs4)C3)c21 257305336 SPMFJQJZCWVBEE-UHFFFAOYSA-N 311.410 2.950 0 40 DFAB CC(=O)N1CCC[C@@H]1c1cc(-c2c(C)noc2C)nc(C)n1 257245434 IPMMMPYSWVRASC-OAHLLOKOSA-N 300.362 2.740 0 40 DFAB CC(=O)N1CCC(c2nccnc2-c2scnc2C)CC1 257243731 IIHCJCQVAHJKKK-UHFFFAOYSA-N 302.403 2.634 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 257221927 DREHICNKRYDUJX-LBPRGKRZSA-N 304.419 2.779 0 40 DFAB COC(=O)c1cc(N)c(Br)c(Br)c1 575730359 RFUDHVHZTRVLCD-UHFFFAOYSA-N 308.957 2.580 0 40 DFAB Cc1nc(/C=C/C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)cs1 585289855 LCIJGWJTBXUWQR-YYMFRIBCSA-N 306.431 2.617 0 40 DFAB Cc1ccc(C)c2nc(O)c(CN[C@H]3CCCC[C@@H]3O)cc12 585293351 VJGAGKWNSMBPKW-HOTGVXAUSA-N 300.402 2.950 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)Cc3ccccc3)C[C@H]21 585110031 XQLDDHBBLUBDSC-WBVHZDCISA-N 321.424 2.941 0 40 DFAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 72291886 KQZLMHNBHLIKSY-LBPRGKRZSA-N 316.336 2.676 0 40 DFAB COc1ccc([C@@H](C)OC(=O)c2ccc3nncn3c2)cc1F 73091651 YTQIQCWEKYJGLW-SNVBAGLBSA-N 315.304 2.795 0 40 DFAB Cn1ncc2c(N3CCC(COc4ccccc4)CC3)ncnc21 54981404 MITZDMCCGKKYIS-UHFFFAOYSA-N 323.400 2.659 0 40 DFAB O=C(NCc1ccco1)NC[C@@H]1CCO[C@H]1c1ccccc1 80566528 YJXVGZCHFBZWGW-HOCLYGCPSA-N 300.358 2.857 0 40 DFAB COC(=O)[C@@H](OC(=O)C[C@H](C)c1ccccc1OC)C1CC1 95456206 DCPYOESKXJZOSL-ZBEGNZNMSA-N 306.358 2.684 0 40 DFAB COc1cccc(NC(=O)COc2cc(OC)cc(OC)c2)c1 5476665 QEQWAWUZEUZPQD-UHFFFAOYSA-N 317.341 2.730 0 40 DFAB CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc2c(c1)CCC2 12362829 TWCZAPAOZYKTIK-SFHVURJKSA-N 300.446 2.708 0 40 DFAB COc1ccc(OCC(=O)NCCc2ccc(F)cc2)cc1 5466004 WMJKYLBUKHTCNY-UHFFFAOYSA-N 303.333 2.572 0 40 DFAB O=C(O)[C@@H]1CN(c2ncccc2C(F)(F)F)CC12CCC2 575606848 FXCGCBVAPYKWLR-JTQLQIEISA-N 300.280 2.792 0 40 DFAB Cc1cc(C(=O)N(CCc2cccs2)C2CCOCC2)no1 206676601 NPFUWGNYLVAETJ-UHFFFAOYSA-N 320.414 2.908 0 40 DFAB CN1C(=S)N(C2CC2)C(=O)/C1=C/c1ccc(OC(F)F)cc1 6497584 QULSZZRQRJSKKC-WQLSENKSSA-N 324.352 2.850 0 40 DFAB COc1ccccc1C(=O)Nc1c(C)nc2ccc(C)cn2c1=O 12180797 QZIQWIIPELUUKO-UHFFFAOYSA-N 323.352 2.572 0 40 DFAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)C3CC3)cc21 17286420 IAXSUMHVZAVDDB-UHFFFAOYSA-N 322.430 2.528 0 40 DFAB Cc1ccc(NC(=O)NC[C@@H](O)COc2ccccc2)c(C)c1 40525356 OBECDSKFCNGXPP-OAHLLOKOSA-N 314.385 2.865 0 40 DFAB C[C@@H](Sc1ncn[nH]1)C(=O)N1CCC(c2ccccc2)CC1 40555371 RGPGIWLMKXDSPA-GFCCVEGCSA-N 316.430 2.692 0 40 DFAB O=C(NCc1ccccc1F)c1ccc(N2CCOC2=O)cc1 40523369 RTLQIBVONYVULJ-UHFFFAOYSA-N 314.316 2.712 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2nc(-c3cccnc3)no2)C1 40510973 LYLRRDPGAUTXGZ-BETUJISGSA-N 314.389 2.569 0 40 DFAB O=C(O)CCn1c(S)nc2c(oc3ccc(Cl)cc32)c1=O 101411163 CVUCCNOINMFTLJ-UHFFFAOYSA-N 324.745 2.560 0 40 DFAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 361231 RPEALYWUDARZQV-CMDGGOBGSA-N 302.355 2.815 0 40 DFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC1CCCCC1)C(=O)C2 415916 UXMYOCJIPLNHRV-MLGOLLRUSA-N 313.463 2.634 0 40 DFAB C[C@H](Cn1cccn1)Nc1nn2cc(C(C)(C)C)nc2s1 54058638 KAKWMWGOIYWSQI-SNVBAGLBSA-N 304.423 2.785 0 40 DFAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C 44102 WJOHXLFWICWPDW-OAHLLOKOSA-N 318.373 2.522 0 40 DFAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1Cc1ccccc1 49186 NBIMGWFAKYAEMG-UHFFFAOYSA-N 316.364 2.939 0 40 DFAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1ccco1 23654424 ANEFXYJQDVLPHZ-UHFFFAOYSA-N 303.749 2.802 0 40 DFAB CN(Cc1ccncc1)S(=O)(=O)c1ccc(F)c(Cl)c1 42678488 LYWFXFZKCSEDSP-UHFFFAOYSA-N 314.769 2.695 0 40 DFAB CCC1=NN(C(=O)c2ccccc2O)[C@](O)(c2ccccc2)C1 342789 ICLVDQPERCVAHV-GOSISDBHSA-N 310.353 2.849 0 40 DFAB Cn1cnnc1SCc1cn2cc(Br)ccc2n1 12491862 MOFWPNDSPVONPH-UHFFFAOYSA-N 324.207 2.518 0 40 DFAB Cc1ccc(CSc2nnc(-c3ccccn3)n2N)cc1C 524939 XJRFJMXFXXZNFZ-UHFFFAOYSA-N 311.414 2.963 0 40 DFAB O=C1CSC(=O)N1CNc1ccccc1Br 1017718 AIVBZLJGIHSDFU-UHFFFAOYSA-N 301.165 2.514 0 40 DFAB COC(=O)CCCN(C)CCc1ccc(Br)cc1 78761549 OVCBIFSLHOVBJQ-UHFFFAOYSA-N 314.223 2.877 0 40 DFAB CC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379478 FXYQBJFHCTXOLV-CYBMUJFWSA-N 309.797 2.861 0 40 DFAB COC(=O)N1CC[C@@H](NC(=O)CCCc2cc(C)sc2C)C1 79055462 VBXIYDNETHURPG-CQSZACIVSA-N 324.446 2.645 0 40 DFAB Cc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2Cl)c1C 79108551 FVZZBLLLCLXMEH-UHFFFAOYSA-N 303.746 2.620 0 40 DFAB COC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O 1400057 YZOAQLUGOCIWRR-UHFFFAOYSA-N 312.152 2.990 0 40 DFAB CCCc1nc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)sc1CC 56003913 QFGUOBKTCUKPGB-GHMZBOCLSA-N 323.462 2.759 0 40 DFAB CCN(C(=O)c1ccc(NC(=O)NC(C)C)cc1)[C@H](C)COC 56100215 HRTVUPPLCHIDDT-CYBMUJFWSA-N 321.421 2.714 0 40 DFAB Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)c(F)c2)c1 57439834 AZDKDZZENHTNJK-HNNXBMFYSA-N 317.360 2.612 0 40 DFAB COC(=O)c1ccc(NC(=O)Cc2sc(C)nc2C)cc1 44449848 BEWGCLQYMHYDFP-UHFFFAOYSA-N 304.371 2.728 0 40 DFAB CCOC(=O)NCC(=O)N[C@@H](c1cccs1)C1CCCC1 58171714 QCKLIVBYMCBQNI-CQSZACIVSA-N 310.419 2.842 0 40 DFAB CCc1n[nH]c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)n1 58266315 WKNHIHSYNFSHRY-SECBINFHSA-N 321.402 2.748 0 40 DFAB Cc1cc(=O)n2nc(N(C)[C@H](C)c3cccs3)sc2n1 58297929 RMFZWJRLUUHGOO-SECBINFHSA-N 306.416 2.718 0 40 DFAB C[C@@H]1c2ccsc2CCN1C(=O)NCc1nc(C2CC2)no1 84718219 ZKJWPWORQZLCEV-SECBINFHSA-N 318.402 2.837 0 40 DFAB Cc1ccsc1CNC(=O)NC1CCN(CC(C)C)CC1 45462962 SHWVBDROJBFNHT-UHFFFAOYSA-N 309.479 2.976 0 40 DFAB O[C@@H](COCc1ccco1)Cn1ccc(-c2ccsc2)n1 95438819 OTLVSPISDBSTFV-CYBMUJFWSA-N 304.371 2.782 0 40 DFAB CC(C)N(C(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 59340201 KEARVCLQFMHBPM-UHFFFAOYSA-N 307.357 2.718 0 40 DFAB CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCOc2ccccc21 29940406 IISSCRVJEUONOG-OAHLLOKOSA-N 324.446 2.609 0 40 DFAB Cc1csc(SCC(=O)NCc2ccc3c(c2)OCO3)n1 2620709 ZHZMJLQXYYSDMZ-UHFFFAOYSA-N 322.411 2.589 0 40 DFAB CC(=O)NCCC(=O)Nc1nc(-c2ccccc2)c(C)s1 2631104 FNNNTVILFHODJG-UHFFFAOYSA-N 303.387 2.583 0 40 DFAB CC(C)c1nc(CC(=O)NC[C@H](c2ccco2)N(C)C)cs1 46746983 HOIYERACPZKFLX-CYBMUJFWSA-N 321.446 2.821 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nccn2C)c1C(C)C 95435514 IGXNSWWLRHKGPI-UHFFFAOYSA-N 316.405 2.655 0 40 DFAB O=C(NCCCOC1CCCC1)c1ccc2c(c1)OCCO2 61260141 JBIVTPNSGFOMGA-UHFFFAOYSA-N 305.374 2.537 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2F)CC1 108981026 JTHMKSRQTCSDMW-KKUMJFAQSA-N 302.393 2.911 0 40 DFAB CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 37988233 RUTDIVRTMCYPTQ-ZYHUDNBSSA-N 302.827 2.982 0 40 DFAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)no1 12975421 IYICLVWDWFZZBO-AWEZNQCLSA-N 310.350 2.648 0 40 DFAB COc1ccc([C@@H]2c3c(noc3C)C[C@](C)(O)[C@H]2C(C)=O)cc1 4311725 GLADHIRRYCIFRN-SQNIBIBYSA-N 315.369 2.636 0 40 DFAB CC(C)[C@@H](C(=O)Nc1cccnc1)n1cnc2ccccc2c1=O 5271491 DFBKKWGYFGLMQL-INIZCTEOSA-N 322.368 2.627 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2c(F)cccc21 65492942 QEFHYLADRYZBDX-MRXNPFEDSA-N 302.397 2.711 0 40 DFAB O=C1C[C@H](C(=O)Nc2ccccc2F)C2=C(O)CCCC2=N1 4487071 UUKIRKZTZSGSCR-VIFPVBQESA-N 302.305 2.748 0 40 DFAB COc1c(CNC[C@H](O)c2cccc(F)c2)c(C(C)C)nn1C 65535335 FEMHZLWHRDIWFV-HNNXBMFYSA-N 321.396 2.514 0 40 DFAB Cc1ccc(NC2CCN(CC(=O)NC3CCCC3)CC2)cc1 65585209 WATLGWJFIKVUCQ-UHFFFAOYSA-N 315.461 2.930 0 40 DFAB CN1CCC[C@H]1CNC(=O)CCCOc1ccc(Cl)cc1 65516372 QWECPHWINFICFJ-AWEZNQCLSA-N 310.825 2.709 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ncc[nH]1 95467281 UDEIXLMWXMSUAA-NSHDSACASA-N 300.318 2.507 0 40 DFAB Cc1c(C(=O)Nc2cccc(C(N)=O)c2)cnn1-c1ccccc1 14111977 LRFCREQMUYFATR-UHFFFAOYSA-N 320.352 2.532 0 40 DFAB CCCC[C@@H](CC)CNC(=O)c1ccc(-n2nnnc2C)cc1 72406217 WQATXJPHHPLLLB-CQSZACIVSA-N 315.421 2.917 0 40 DFAB CC(C)[C@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1 84456566 KTGHPWJIMIDQNK-OAHLLOKOSA-N 314.385 2.601 0 40 DFAB CN(C)CCN(C)C(=O)Nc1ccnc(Oc2ccccc2)c1 80188139 SDDXFAVMTVVXCX-UHFFFAOYSA-N 314.389 2.899 0 40 DFAB O=C([C@H]1CCOC1)N1CCC[C@@H]1c1nc2ccccc2s1 71832957 NFUYAEJNDUDXIV-WCQYABFASA-N 302.399 2.996 0 40 DFAB CCc1cc2c(N[C@H]3CCc4nc(C)nn4C3)ncnc2s1 71874937 AHVAIGASLOEKIR-JTQLQIEISA-N 314.418 2.581 0 40 DFAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)Cc1cccnc1 95394360 QMFYCIIDHMLMGF-INIZCTEOSA-N 311.385 2.974 0 40 DFAB CCOCCNC(=O)c1ccsc1NC(=O)c1cccs1 71903016 QMCFXEFFJQUFPC-UHFFFAOYSA-N 324.427 2.828 0 40 DFAB CCC[C@@H](C)C(=O)N[C@H](c1ccccc1)c1nnc(C)n1C 95396361 DTBIYHTZAIJMJY-IUODEOHRSA-N 300.406 2.765 0 40 DFAB CC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 69383261 LMCLMLXGSABSQG-LLVKDONJSA-N 313.357 2.957 0 40 DFAB NC(=O)c1ccc(Cl)cc1NCc1nc(-c2ccoc2)no1 69565996 VXWWNMUPWBHGNF-UHFFFAOYSA-N 318.720 2.694 0 40 DFAB O=C(NCC1CCCC1)[C@H]1CCCN1C(=O)Nc1ccccc1 69697248 OSSIEAFLRHMEFT-MRXNPFEDSA-N 315.417 2.989 0 40 DFAB O=C(/C=C/c1cnccn1)Nc1ccc(Oc2ncccn2)cc1 84614817 UGSHLGSESPUROL-QPJJXVBHSA-N 319.324 2.711 0 40 DFAB COc1ccc(CCNC(=S)Nc2ccc(C)cn2)cc1 22270397 LSSYCDDEHPORCV-UHFFFAOYSA-N 301.415 2.928 0 40 DFAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](N2CCCC2)C1 71185474 RZCIHIWPHUZCGZ-CQSZACIVSA-N 305.422 2.807 0 40 DFAB CCC(CC)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 71185000 SHOPQPDDANXSGX-HNNXBMFYSA-N 321.396 2.984 0 40 DFAB CCCNC(=O)c1cccc(OC(=O)c2csnc2C)c1 97084355 XGAJKAXSNRVJBG-UHFFFAOYSA-N 304.371 2.811 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)no1 72232215 PCDYSMJGVANJET-NSHDSACASA-N 304.350 2.509 0 40 DFAB O=C(Nc1cn[nH]c1)c1csc(-c2ccc3c(c2)OCO3)n1 72282669 XSIKHEYHDONJKD-UHFFFAOYSA-N 314.326 2.514 0 40 DFAB C[C@](O)(CNC(=O)N[C@H]1CCCc2ccccc21)c1ccco1 73432941 XVTVKXQTLDCVJN-YJBOKZPZSA-N 314.385 2.864 0 40 DFAB Cc1ccccc1-c1nc(CN2C(=O)c3ccccc3C2=O)no1 89696893 KSZXHZOKGCXMCK-UHFFFAOYSA-N 319.320 2.841 0 40 DFAB CC(C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)CC1 89802057 VTCRVSJDNVECSS-GOEBONIOSA-N 306.450 2.672 0 40 DFAB C[C@H]1CN(C(=O)NCCOCC(F)(F)F)[C@H]1c1ccccc1 89930163 IHQLCPHPLWSYCA-WCQYABFASA-N 316.323 2.968 0 40 DFAB Cc1nc(O)c(C(=O)N(C)c2ccn(C)n2)cc1-c1ccccc1 548139324 HSPJALQHFFWWBC-UHFFFAOYSA-N 322.368 2.773 0 40 DFAB O=C(O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Cl)cc1Cl 36386171 PPJAJGGQNARTGA-IHBFAXJASA-N 300.141 2.539 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 32915719 MNUGBNUUVVEEBV-OAHLLOKOSA-N 315.417 2.861 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccccc1C 408706675 CIYLDOUNHUPTRA-OAHLLOKOSA-N 304.434 2.944 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)Oc1ccccc1 409001086 GPQJCZBOBJIDBH-UKRRQHHQSA-N 304.390 2.860 0 40 DFAB CCn1cc(C2CCN([C@H](C(=O)O)c3ccccc3)CC2)cn1 521633819 KWJHMTBSEBWVSF-KRWDZBQOSA-N 313.401 2.908 0 40 DFAB C[C@@H]1CC(NC(=O)NC[C@](C)(O)C2CCCCC2)C[C@@H](C)O1 189741986 FWOGYERNZHTXKI-XNJGSVPQSA-N 312.454 2.573 0 40 DFAB C[C@H]1CN(C(=O)Nc2cnsn2)CC[C@H](c2ccccc2)O1 1553301359 DSTKTWWOXKIQRK-WCQYABFASA-N 318.402 2.922 0 40 DFAB Cc1ccc(Oc2ccc(C(=O)NCc3cccnc3)cc2)nn1 56906605 UDPYFCQUMMBRQW-UHFFFAOYSA-N 320.352 2.902 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 69922551 CDSUDXPEKIGBIP-LSDHHAIUSA-N 305.422 2.568 0 40 DFAB CCOC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 77302004 NKAOSHOZUSWEMQ-UHFFFAOYSA-N 309.325 2.784 0 40 DFAB in-vitro c1ccn2cc(CSc3ccc(-n4cccn4)nn3)nc2c1 70635249 KELIZGYFCUQMIH-UHFFFAOYSA-N 308.370 2.602 0 40 DFAB Cc1nc(C(=O)N[C@@H](c2ccccc2)C(C)(C)CO)c(C)o1 564830542 WNEIBDCJCMYUBC-HNNXBMFYSA-N 302.374 2.781 0 40 DFAB CC(=O)c1ccc(C(=O)NCCCn2nc(C)cc2C)s1 32780857 ZNFSHXNHOWOHFZ-UHFFFAOYSA-N 305.403 2.584 0 40 DFAB Cc1noc(COc2ccc(OC(=O)c3cccn3C)cc2)n1 79360345 WZJZLPWFIBJKQO-UHFFFAOYSA-N 313.313 2.515 0 40 DFAB O=C(O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 566680296 DRQYFPVACXHHDN-WFASDCNBSA-N 321.348 2.555 0 40 DFAB CC(C)OC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 44890920 HUCXJDFLUODTFW-UHFFFAOYSA-N 306.749 2.515 0 40 DFAB COc1ccnc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)c1 195559731 YQCROERDVUHAJS-CYBMUJFWSA-N 309.373 2.522 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)c2cccs2)C(=O)O)c1 195542131 BBQOHMDDDRCBHY-CYBMUJFWSA-N 303.383 2.730 0 40 DFAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225601845 DOVKDRJRXQBSNI-SFHVURJKSA-N 320.433 2.915 0 40 DFAB CCCN(C)c1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc1 63903514 LTFDJXRWXMAJMN-UHFFFAOYSA-N 319.449 2.520 0 40 DFAB COCCNC(=O)c1cc(-c2csc(C)n2)n2ccccc12 96266735 RWFRWGFNHXPTAU-UHFFFAOYSA-N 315.398 2.747 0 40 DFAB COCCC1(C(=O)NCCNc2cccc(C)n2)CCCC1 97227936 LGMFIXCRORWLIJ-UHFFFAOYSA-N 305.422 2.515 0 40 DFAB C[C@H](CNC(=O)N1CCOCC[C@@H]1C)c1ccc(F)c(F)c1 95459996 QKHPNQVIIGKZKN-NEPJUHHUSA-N 312.360 2.889 0 40 DFAB COc1ccc(-c2ccnc3nc([C@H]4CCCO4)nn23)c(F)c1 95474810 YORCOBRJBIELPZ-CQSZACIVSA-N 314.320 2.791 0 40 DFAB Ic1ccccc1CN1CCSCC1 95728213 IGYNNFFBWKJIIR-UHFFFAOYSA-N 319.211 2.840 0 40 DFAB Cc1ccc(NC[C@@H]2CCN(Cc3nnsc3Cl)C2)nc1 97200783 NHUXDHQFCJRNMA-NSHDSACASA-N 323.853 2.829 0 40 DFAB Cc1cccc(C)c1NCC(=O)NCCc1ccn(C(C)C)n1 96426562 NTSVHMCBPHJASP-UHFFFAOYSA-N 314.433 2.852 0 40 DFAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@@H](C2)N1C[C@H]1C[C@H]2C=C[C@H]1C2 247957096 MPTBYHLTKHXSJM-ARKGTOAJSA-N 311.429 2.634 0 40 DFAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)n1 257242999 IFDDXECPNNISMC-MRXNPFEDSA-N 323.400 2.891 0 40 DFAB COCCN1CCC[C@H](c2cc(-c3nccs3)nc(C)n2)C1 257242103 IBDBTIMUCWAKIR-ZDUSSCGKSA-N 318.446 2.734 0 40 DFAB Cc1csc(-c2ccc([C@@H]3CCCN3S(C)(=O)=O)nc2)n1 257238458 HLBFBJVPLPYKLS-ZDUSSCGKSA-N 323.443 2.610 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H]3c3cnccn3)c2c1 257314523 UXIYYDGQFZWEKO-QGZVFWFLSA-N 322.368 2.944 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2ncccn2)CC1 257294781 QVSHBMRTXUBPFO-UHFFFAOYSA-N 322.821 2.780 0 40 DFAB Cc1ccccc1CN1CCc2oc(C(=O)NC(C)C)nc2C1 585111917 JATWFJBZUHQQIT-UHFFFAOYSA-N 313.401 2.680 0 40 DFAB O=C(Nc1ncccc1OCc1ccncc1)c1ccccn1 69519514 NSGNRVAVIUAKOY-UHFFFAOYSA-N 306.325 2.703 0 40 DFAB O=C(c1ccc(Br)cc1O)N1CCCSCC1 44490893 RZJDFFVUWBVQOC-UHFFFAOYSA-N 316.220 2.734 0 40 DFAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(Cl)c(Cl)c1 49226120 AOKFIPVVVKRSLV-SECBINFHSA-N 315.200 2.734 0 40 DFAB COC(=O)c1cccc2c1CCCN2Cc1nnsc1Cl 40154552 DTKUVOUZOCPQSX-UHFFFAOYSA-N 323.805 2.931 0 40 DFAB Cc1ccc2nc(CNC(=O)c3ccc(NC4CC4)nc3)cn2c1 57268194 LFDKOUGZXRFLSP-UHFFFAOYSA-N 321.384 2.542 0 40 DFAB C[C@@]1(C(=O)O)CCCN1C(=O)c1ccccc1Br 79476541 UVIBHUMNVLLGGS-ZDUSSCGKSA-N 312.163 2.528 0 40 DFAB Cc1ccc(C)c(NC(=O)C(=O)NCCCc2ccccc2)c1 5184390 REIVNWULGDNXIE-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB COc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2C 14898331 DIGMOKJHCBJASE-UHFFFAOYSA-N 310.357 2.846 0 40 DFAB Cc1cc(C)cc(N2CN(CCO)CN=C2c2ccccc2)c1 19974131 DEZKWMSMNWNPMH-UHFFFAOYSA-N 309.413 2.780 0 40 DFAB O=C(NC/C=C\Br)N[C@@H]1CCNc2ccccc21 5594005 DMWCISDXUFPTJO-AUXFESMGSA-N 310.195 2.751 0 40 DFAB NC[C@H]1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CC1 257224817 FDMQQUGWFCMFPT-CZIWCDLHSA-N 301.434 2.553 0 40 DFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCCCC1 22465497 GMDJKQUWIMAWJN-OAHLLOKOSA-N 322.474 2.818 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(F)cc1)C2=O 3563715 BIEJZKYZUAOSAC-GTNSWQLSSA-N 318.348 2.509 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 6026489 DNGYMDLGYAKNEK-LLVKDONJSA-N 317.414 2.870 0 40 DFAB Cc1cccc(NC(=O)N2CCC(CN3CCOCC3)CC2)c1 20532060 ADKDDVPBTGAEPO-UHFFFAOYSA-N 317.433 2.571 0 40 DFAB O=C(c1ccc[nH]1)N1CCc2c(Br)cccc2C1 128677177 VWGTZUYUFUBWRF-UHFFFAOYSA-N 305.175 2.976 0 40 DFAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2nccs2)C1 2037905606 OWOKYGCYGXNTQH-INIZCTEOSA-N 322.405 2.688 0 40 DFAB COc1cnc(O[C@@H]2CCN(c3ccnc4ccccc34)C2)nc1 2087148934 AFUXOWFUJNCTOJ-CYBMUJFWSA-N 322.368 2.691 0 40 DFAB C[C@@H](C(=O)N[C@H](c1cccs1)C1CCOCC1)n1cccn1 1565523704 XRVGGCWOABBETR-WFASDCNBSA-N 319.430 2.790 0 40 DFAB OC[C@@H]1CCCN(c2ncnc3ccc(Br)cc23)C1 301124166 UOSBLAVNFGCLNW-SNVBAGLBSA-N 322.206 2.601 0 40 DFAB O=C(NC1CC1)c1ccc(CN(C(=O)C2CCC2)C2CC2)cc1 26106464 DUHRAMRKIPZYMI-UHFFFAOYSA-N 312.413 2.870 0 40 DFAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 227104264 HFXMAWWKMBRQBS-WTTBSCSTSA-N 323.295 2.749 0 40 DFAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCn1cccn1 50342777 FODJXRNKULVQFJ-OAHLLOKOSA-N 301.390 2.555 0 40 DFAB CCCCc1cc(=O)[nH]c(N2CCO[C@@H](c3ccccc3)C2)n1 41194222 DFSGGZVPOPQABI-MRXNPFEDSA-N 313.401 2.690 0 40 DFAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2[nH]nnc2c1 32895219 XKQFFODLFNAPHB-VHSXEESVSA-N 312.295 2.809 0 40 DFAB CCc1nnsc1C(=O)NCCOc1c(C)cccc1C 32931335 KPCSASAGFUUBTA-UHFFFAOYSA-N 305.403 2.526 0 40 DFAB O[C@H](CN(Cc1ccco1)C1CC1)c1ccc2c(c1)OCCO2 52827384 VYPPOJKKBLUFGC-MRXNPFEDSA-N 315.369 2.749 0 40 DFAB CCNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 521274 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Cc1nnc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)o1 14137691 ZDECLEVKRNRWQV-MRVPVSSYSA-N 311.794 2.828 0 40 DFAB CCOc1cccc([C@@H](C)NC(=O)CCNC(=O)C(C)(C)C)c1 65623143 ZFIQRAQDLGLJGY-CYBMUJFWSA-N 320.433 2.815 0 40 DFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1 9424811 NLBNSONWUQZUBV-UHFFFAOYSA-N 313.334 2.629 0 40 DFAB CCc1ccc([C@@H](C)NC(=O)NCCc2nc(C)no2)cc1 71792640 FLGAVQNCIWDGAO-LLVKDONJSA-N 302.378 2.543 0 40 DFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)CCC3)CS2 7777431 IBAAIMXLSCYPOW-PBHICJAKSA-N 316.426 2.568 0 40 DFAB CCCN(CCC)C(=O)CN1CCO[C@@H](c2ccccc2)C1 71852559 NIYKCAIBMJVJSZ-QGZVFWFLSA-N 304.434 2.709 0 40 DFAB Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCC(c3nncn3C)CC2)c1 71853406 CMASCVLVRJCFFB-SJORKVTESA-N 324.428 2.633 0 40 DFAB O=c1c2ccccc2ncn1Cc1nc(-c2ccsc2)no1 8007041 FILFOHXJSHWFMY-UHFFFAOYSA-N 310.338 2.556 0 40 DFAB CCS[C@H]1CCCCN(C(=O)c2cccnc2N(C)C)C1 71899375 RNPGCDKBVGYHJO-ZDUSSCGKSA-N 307.463 2.895 0 40 DFAB CCc1cnc(CCNC(=O)NC[C@@]2(C)CCCS2)s1 83827872 RSTZFCVYJWXHPG-CQSZACIVSA-N 313.492 2.833 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C3OCCO3)CC2)C1(C)C 69230250 KJXSBTRAAKVKRE-GJZGRUSLSA-N 307.434 2.836 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](n2cccn2)C1 69432184 GECQFDMQHGQCAU-OAHLLOKOSA-N 308.385 2.771 0 40 DFAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CN1CCCC1 17242923 DKSGSEBFXLVNPF-LCYFTJDESA-N 306.362 2.915 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC(F)(F)F)C1 69571365 DQYNUOAKOGEHID-YPMHNXCESA-N 300.324 2.891 0 40 DFAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3Cn3cccn3)c12 69743896 HABSKSXYBOPDPR-MRXNPFEDSA-N 322.412 2.907 0 40 DFAB COc1ccc(CCN2CCC[C@@H]2Cn2nc(C)nc2C)cc1 69842282 HWPDFLVWUMPAAZ-QGZVFWFLSA-N 314.433 2.611 0 40 DFAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccncc1 8762704 SSBPPABTOSXFTH-LBPRGKRZSA-N 314.341 2.583 0 40 DFAB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1OC(=O)c2ccccc21 8742578 VKMILVCMTMIIKF-INIZCTEOSA-N 306.321 2.734 0 40 DFAB CC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 8904382 LBQCGJBHHLMIHF-UHFFFAOYSA-N 323.824 2.603 0 40 DFAB NC(=O)c1csc(CN2CCO[C@H](c3cccc(F)c3)C2)c1 92975843 PKCKMOFDWSRVKJ-HNNXBMFYSA-N 320.389 2.560 0 40 DFAB Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1C1CC1 97049068 RFPVMZPGOUQJKO-ZDUSSCGKSA-N 316.401 2.608 0 40 DFAB CCc1cnccc1C(=O)NCCc1nc(C2CC2)cs1 97034986 MVHPIDSRZILZQP-UHFFFAOYSA-N 301.415 2.950 0 40 DFAB C[C@H](CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccsc1 95985066 RVSSIORKJRXYSK-XBFCOCLRSA-N 301.477 2.797 0 40 DFAB O=C(N[C@H]1CCc2nccn2C1)c1csc2c1CCCC2 72278523 IRZBTCLZOSTXOE-NSHDSACASA-N 301.415 2.568 0 40 DFAB COC(=O)c1sccc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 95981731 LRANPBAGKDBPDV-JSGCOSHPSA-N 319.430 2.814 0 40 DFAB O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC[C@@H](CO)C1 75128188 BWXLYLTXWVIHBE-PBHICJAKSA-N 302.418 2.942 0 40 DFAB CC(=O)N1CC[C@@H](NCc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 89937588 OGCUXJAMSSMLKO-SUMWQHHRSA-N 316.445 2.747 0 40 DFAB CC1(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)OCCO1 89919726 HAQHSXQOMPENHJ-UHFFFAOYSA-N 305.305 2.579 0 40 DFAB O=C(c1cccnc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408608054 MKBFLNQPHDGZNS-LJQANCHMSA-N 321.424 2.745 0 40 DFAB CC[C@H](OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1)c1ccccc1 34930246 KRRYYKWWKBFUNM-ATLSCFEFSA-N 307.434 2.624 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1ccccc1C)CC(C)C 31704181 SYRKKDSYTWWOLN-MRXNPFEDSA-N 320.433 2.815 0 40 DFAB O=C(NCc1cccs1)NC[C@@](O)(c1cccs1)C1CC1 75155346 GWYBXTKOVXMHPM-HNNXBMFYSA-N 322.455 2.907 0 40 DFAB O=C(c1cccc2cccnc12)N1CCC[C@@H](c2ccn[nH]2)C1 72369502 NJPMDCKOPHJRMS-CQSZACIVSA-N 306.369 2.978 0 40 DFAB COCc1cccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 72295564 DFCOTUGXSMHDFD-OAGGEKHMSA-N 303.402 2.766 0 40 DFAB COc1cccc(C2(CN[C@H]3C[C@@H](C)OC3=O)CCCC2)c1 79030790 QDGDMIXRMLOLDS-CJNGLKHVSA-N 303.402 2.801 0 40 DFAB Cc1ccnc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203221 MXMSGUAYRQUXIU-ZDUSSCGKSA-N 306.410 2.621 0 40 DFAB O=C(NC[C@H](O)C1CC1)Nc1cccc(N2CCCCCC2)c1 77723538 VOPJCIGBRYWCMN-KRWDZBQOSA-N 317.433 2.959 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@H](Cc3nccs3)C2)c(C)n1 72386044 SBQCSOMHGPPNQC-CYBMUJFWSA-N 316.430 2.645 0 40 DFAB CCOc1cc(I)cc(C=O)c1OC 225275014 LFUCDVGWTGGFPZ-UHFFFAOYSA-N 306.099 2.511 0 40 DFAB CN(C)CCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 44844056 PFPFEHISKQTWAW-UHFFFAOYSA-N 323.440 2.541 0 40 DFAB C[C@H](c1ccccc1)N1Cc2nc(N3CCCC3)ncc2C1=O 46088886 UCNACFSCCCXPJJ-CYBMUJFWSA-N 308.385 2.794 0 40 DFAB CCCOc1c(I)cc(OC)cc1C=O 225273611 FYPJJRGPUIAKGT-UHFFFAOYSA-N 320.126 2.901 0 40 DFAB Cn1cncc1CCNc1nccc(Oc2ccc(F)cc2)n1 195560372 YDFKMLOSMFNZKN-UHFFFAOYSA-N 313.336 2.796 0 40 DFAB Cc1cc(C)cc([C@@H](O)CN2CCC([C@@H]3CCNC3)CC2)c1 1579579883 LYUIVTNOFWUJJM-MJGOQNOKSA-N 302.462 2.658 0 40 DFAB O=C(CCCn1cccc1)NCc1nc(-c2ccccc2)no1 49030952 VPNCCXDPJABBMY-UHFFFAOYSA-N 310.357 2.635 0 40 DFAB COc1cccc(-n2ccnc2SCc2cnn(C)c2)c1 193008494 ZJFVEGXZAPNVQG-UHFFFAOYSA-N 300.387 2.907 0 40 DFAB c1ncc(CNc2ccc(Cc3nnc4n3CCC4)cc2)s1 191651965 AHUMYMNQTMVDDE-UHFFFAOYSA-N 311.414 2.884 0 40 DFAB CC(C)(C)c1nnc(N2CCN(c3ccccc3O)CC2)s1 95415888 WZSJLUPYMZNEOS-UHFFFAOYSA-N 318.446 2.868 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)Cc1ccccc1)CC2 96106273 FDLUSYYBRAGEMV-KRWDZBQOSA-N 317.429 2.521 0 40 DFAB Cc1cc(CN2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)no1 96046053 VSULSUYAFJRQMP-IACUBPJLSA-N 305.403 2.792 0 40 DFAB CCOc1c(F)cccc1C(=O)N(C)CCc1ccccn1 96430748 CMCMCJRKNPEIIM-UHFFFAOYSA-N 302.349 2.934 0 40 DFAB CC[C@H](C(=O)OC)N(C(=O)Cc1cccnc1)c1ccccc1 96409919 BAXDADXRZRWGOM-MRXNPFEDSA-N 312.369 2.609 0 40 DFAB Cc1ccnc([C@H](NC(=O)c2ccc(Cl)cn2)C2CC2)n1 95450847 FKXVCZARPKRWSU-CYBMUJFWSA-N 302.765 2.715 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)Nc2ncc(C)s2)c(C)o1 96433762 MANPZYZUQUNVDD-CQSZACIVSA-N 309.391 2.691 0 40 DFAB Cc1ccc(CN2C[C@H]3C[C@H]2CN(Cc2c(C)noc2C)C3)o1 247997839 DLDNHPNKZNDJTI-HOTGVXAUSA-N 315.417 2.899 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCCC[C@@H]1S(C)(=O)=O 245339434 SSPMQJCHIZMNKP-UGUYLWEFSA-N 317.495 2.527 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3nccs3)C[C@@H]12 248136027 OQCHDABNZFQHRS-AEFFLSMTSA-N 313.470 2.991 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 257228759 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CCn1cc(Br)c(C(=O)Nc2nc(C)cs2)n1 27971344 CUTALGBEOAQRKK-UHFFFAOYSA-N 315.196 2.683 0 40 DFAB OCC[C@H](Nc1ncncc1Br)C1CCCCC1 268474668 MYEIHXNQTCMRQW-LBPRGKRZSA-N 314.227 2.982 0 40 DFAB O=C(/C=C/c1ccccc1)N[C@H](Cn1nccn1)c1ccccc1 253400020 KJIYZCCDLCEGNW-IENJSVCTSA-N 318.380 2.849 0 40 DFAB O=C(NC1CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 2087128964 MGOUDVVPWJSCFC-UHFFFAOYSA-N 319.792 2.976 0 40 DFAB Cc1ccccc1OCC(=O)N1CCO[C@H](c2ccccc2)C1 11027394 NCUNIPFFXFHSOO-SFHVURJKSA-N 311.381 2.974 0 40 DFAB C[C@](O)(CNC(=O)CCSc1ccccc1)Cc1ccco1 206614832 AJSQGQKFZDQSKI-QGZVFWFLSA-N 319.426 2.872 0 40 DFAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCSCC1 40540909 BSSZRCSXGDKGFX-UHFFFAOYSA-N 321.324 2.603 0 40 DFAB Cn1ncc2c(N3CCCC3)nc(Nc3cccc(F)c3)nc21 32087837 PNWAWHKZRGZLMY-UHFFFAOYSA-N 312.352 2.846 0 40 DFAB CN(Cc1ccc(Br)cc1)CN1C(=O)[C@H]2CC[C@H]1C2 101455810 PQPRLIWYWGOUGJ-JSGCOSHPSA-N 323.234 2.849 0 40 DFAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(C)=O 246402 UUDBSOVRIIOGRN-QGZVFWFLSA-N 306.406 2.856 0 40 DFAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)SCCO 32774246 POLGCELZLHULQW-VIFPVBQESA-N 303.811 2.710 0 40 DFAB C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@@H]1CCCO1 41374980 PEHAYGDQASBNKV-OCCSQVGLSA-N 315.373 2.708 0 40 DFAB COC(=O)c1cnn2c1N=C1CCCC(O)=C1[C@H]2c1cccnc1 102835267 XTFXGLGWGGVNHO-OAHLLOKOSA-N 324.340 2.736 0 40 DFAB Cc1cn2nc(NC[C@H](c3cccs3)N(C)C)sc2n1 22977072 BDPMCFNFELPANF-SNVBAGLBSA-N 307.448 2.876 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(F)c1 54534871 MFSJHGNXHJNYPH-UHFFFAOYSA-N 300.211 2.785 0 40 DFAB Cc1cccc(OCC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 47416262 CZKDPFPYNFLCDT-IRXDYDNUSA-N 318.461 2.858 0 40 DFAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2C(C)(C)C)CN1 42783132 QIXAXNMVIDERHE-AAEUAGOBSA-N 311.809 2.920 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccoc2C)n1CC 410512 ZBUDGLKMMYAXSO-UHFFFAOYSA-N 322.434 2.827 0 40 DFAB COC(CNc1ncnc2c1[nH]c1ccc(Cl)cc12)OC 543559 QIXBJRAVEDYGND-UHFFFAOYSA-N 306.753 2.795 0 40 DFAB Cc1cccnc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 12523121 LPEIAZSQOXMVNS-ZDUSSCGKSA-N 313.357 2.643 0 40 DFAB CC(C)[C@@H](NC(=O)NC[C@H]1CCOC1)c1nc2ccccc2[nH]1 43104361 PIDLJYLBFLRKDT-IUODEOHRSA-N 316.405 2.596 0 40 DFAB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)CC(=O)c1ccco1 1624407 QBHIUPQPVDCONJ-HNNXBMFYSA-N 305.717 2.654 0 40 DFAB COc1ccc(C(C)=O)c(OCC(=O)N[C@H]2CCCC[C@H]2C)c1 6899367 PIEWKZKPAFNHPR-WBMJQRKESA-N 319.401 2.972 0 40 DFAB COc1ccc(CN(C)C(=O)COc2ccc(OC)cc2)cc1 7871753 SOTBOEYPPADXCM-UHFFFAOYSA-N 315.369 2.741 0 40 DFAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1csc3ccccc13)CCO2 107720263 YRTKMIVSMPEWMO-FMKPAKJESA-N 317.410 2.920 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 72867565 MFOIPYFTBPDNQZ-QYZOEREBSA-N 324.424 2.801 0 40 DFAB COc1cccc(C(N)=O)c1OCCCOc1cccc(C)c1 24107116 FBAAJXIZCHCIGH-UHFFFAOYSA-N 315.369 2.950 0 40 DFAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc[nH]n1 58194705 FENXASJMRWHRDN-UHFFFAOYSA-N 318.283 2.914 0 40 DFAB O=C(NCc1ccsc1)N1CC[C@@H](Oc2cccnc2)C1 95416759 FFOLPPGZMQJIFX-CQSZACIVSA-N 303.387 2.506 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2nc(C(C)=O)cs2)cc1 44895457 SXWUZEOQJHHZTQ-SNVBAGLBSA-N 320.370 2.760 0 40 DFAB Cc1noc([C@@H](C)NC(=O)CCSc2ccccc2F)n1 58244520 HJHZNQXSCMGZKQ-SECBINFHSA-N 309.366 2.877 0 40 DFAB Cn1cccc1[C@@H]1CCCN1C(=O)NCc1cn2ccccc2n1 58268710 JVIHAAXOYIQLKJ-INIZCTEOSA-N 323.400 2.720 0 40 DFAB O=C(COc1cc(Cl)ccc1Cl)NC[C@H]1CCCO1 9502888 XCFRYBUPDYSAMF-SNVBAGLBSA-N 304.173 2.667 0 40 DFAB CCN(Cc1cccc2c1OCO2)C(=O)[C@@H](C)c1cccnc1 95405548 MLMXZNGAVROTRB-ZDUSSCGKSA-N 312.369 2.963 0 40 DFAB CC(C)n1cc([C@H](C)NC[C@H]2COc3ccccc3O2)cn1 95419274 WWQUFYPBOPYWRU-ZFWWWQNUSA-N 301.390 2.955 0 40 DFAB c1ccc(-c2nc(COc3ccc(-n4cnnn4)cc3)co2)cc1 36689489 AIRZMUORMXKRBI-UHFFFAOYSA-N 319.324 2.896 0 40 DFAB CCn1nccc1[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 36613771 UOAQNMVCLAZDTF-JTQLQIEISA-N 313.361 2.547 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)NCCc1ccc(Cl)s1 46462173 LJWBZOUGWZAPHW-SNVBAGLBSA-N 312.826 2.528 0 40 DFAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c1 12124035 UUKJMCCNRKAPHB-LBPRGKRZSA-N 310.353 2.991 0 40 DFAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 12764557 CHFCHTNOEFLMNL-GFCCVEGCSA-N 324.384 2.526 0 40 DFAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(F)c1 12754790 ZZGVSOLDFZGOKA-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB CC(=O)Nc1cccc(OCCN[C@@H]2CC(C)(C)OC2(C)C)c1 89515869 RCNBOWZOLCIGHW-MRXNPFEDSA-N 320.433 2.960 0 40 DFAB CC(=O)N1CCCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 65415578 DDCPXDJLZMQBGR-GFCCVEGCSA-N 320.458 2.567 0 40 DFAB CN(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 4414512 LJFZOXGPRIJRHD-UHFFFAOYSA-N 322.397 2.981 0 40 DFAB CC[C@H](C)[C@H](NC(=O)c1cc(-c2csc(C)n2)c[nH]1)C(=O)O 89279695 BMZPEFCMDJMLQO-SDBXPKJASA-N 321.402 2.676 0 40 DFAB C[C@@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)S(C)(=O)=O 65515231 WWTMIPOUCIHUNI-LBPRGKRZSA-N 324.446 2.803 0 40 DFAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1CC2)C(N)=O 5303426 PXIXQYWUAQPBQS-SECBINFHSA-N 301.367 2.544 0 40 DFAB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccn2)N(C)C3=O)cc1 6747816 OVIYOGLGACHSKF-QGZVFWFLSA-N 320.352 2.655 0 40 DFAB CN1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 19889825 KFNQCUVGLLVHHF-UHFFFAOYSA-N 307.869 2.552 0 40 DFAB C[C@@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccccc1 6839840 UIWSYOMZRHRSMW-CYBMUJFWSA-N 315.344 2.789 0 40 DFAB O=C(NCC1CCCCCCC1)NC[C@@H]1CC(=O)N(C2CC2)C1 96500339 MAWJHGYTYZSINL-HNNXBMFYSA-N 321.465 2.657 0 40 DFAB COCCN(C(=O)CCc1cccc(F)c1)c1ccncc1 71907665 XJLMSOAKCVQDSY-UHFFFAOYSA-N 302.349 2.833 0 40 DFAB CCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1cc(C)cc(C)c1 71903382 HFEGHYVVOBJJFN-CQSZACIVSA-N 311.447 2.868 0 40 DFAB Cc1ccc(-c2csc(CC(=O)N3CCOCC3)n2)cc1C 8297733 YZGICLWJQNHNNL-UHFFFAOYSA-N 316.426 2.828 0 40 DFAB NC(=O)[C@H](CNc1ccncc1Cl)Cc1ccc(F)cc1 91481089 HWOLEGGJNGCRHH-NSHDSACASA-N 307.756 2.630 0 40 DFAB C[C@H](N[C@H]1CCOC1)c1ccc(NC(=O)c2ccncc2)cc1 95967989 UETWBNRSXBKMLS-GUYCJALGSA-N 311.385 2.773 0 40 DFAB Cc1cc(C)n(C[C@H](C)NC(=O)CCC(=O)c2cccs2)n1 84102238 AHHLVZVOZMFIMT-LBPRGKRZSA-N 319.430 2.729 0 40 DFAB C[C@H](OC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O 8522692 GZQXGVDTECBSNP-JTQLQIEISA-N 303.289 2.649 0 40 DFAB CCc1nc(CN2CCCN(C(=O)c3ccco3)CC2)cs1 69708958 PIXNNDOCIZPLGD-UHFFFAOYSA-N 319.430 2.647 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](n2ccnc2)C1 69776753 POHJUCPEWMMHTB-OAHLLOKOSA-N 303.793 2.943 0 40 DFAB Cc1noc(C)c1C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1 69813011 NJQPRPMZNZLBKI-QKVFXAPYSA-N 306.387 2.567 0 40 DFAB CN(CCOc1ccccc1)C(=O)c1cc2ccccc2oc1=O 8944554 JZWNQDUYPOJYSN-UHFFFAOYSA-N 323.348 2.944 0 40 DFAB Cc1n[nH]cc1CNCc1cccc(OCc2ccccn2)c1 97139737 KWGHEQKIVJHEFT-UHFFFAOYSA-N 308.385 2.982 0 40 DFAB CC(C)NC(=O)CCNc1ncnc2sc3c(c12)CCC3 97150681 CRBVFGHXKVEDJT-UHFFFAOYSA-N 304.419 2.507 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)CCn1cccn1 97145622 SABJJLABRCJFPF-HNNXBMFYSA-N 313.401 2.518 0 40 DFAB Cc1nc(C)n(CC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 95953006 YONNUFNLHGYBOF-CQSZACIVSA-N 306.435 2.860 0 40 DFAB O=C(CCc1nc(C2CC2)no1)N[C@@H]1CCC[C@@H](C2CC2)C1 89598062 LMNAFXICFSRNCA-ZIAGYGMSSA-N 303.406 2.965 0 40 DFAB O=C(NCc1ccsc1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123211 VRNNTJJLAKFWGX-UHFFFAOYSA-N 317.292 2.777 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O 75124386 YNTBSLGLMBOFQI-SECBINFHSA-N 315.295 2.872 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ncccc32)c(C)c1 89614315 CARPNEDCFCNBTL-CYBMUJFWSA-N 318.398 2.675 0 40 DFAB Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cnc(C2CCC2)s1 548020939 BCSSJRXMJUPULU-KBPBESRZSA-N 318.446 2.764 0 40 DFAB CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCC1 306141892 WJEQIWUSWUREKS-UHFFFAOYSA-N 320.437 2.666 0 40 DFAB C[C@](O)(CNC(=O)c1ccc(Br)o1)c1ccccc1 70639610 GVZQIQQDSWOJOQ-AWEZNQCLSA-N 324.174 2.680 0 40 DFAB CC[C@H](C)[C@@H]1NC(=O)N([C@@H]2C[C@H]2c2ccccc2OC)C1=O 567407691 FTHAAEZBOFFHSD-DNVSUFBTSA-N 302.374 2.518 0 40 DFAB CCn1c(Cl)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 225988212 ACKTTWHJVOTVOB-NSHDSACASA-N 307.781 2.618 0 40 DFAB Cc1[nH]c(C[C@H]2C(=O)N=C3C=CC(F)=C[C@@H]32)c(C)c1C(=O)O 85210619 JMMAUENBPNLMQB-GHMZBOCLSA-N 302.305 2.509 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C)c2)C1 40160908 HWLPWSOKMYOQGJ-LSDHHAIUSA-N 319.401 2.564 0 40 DFAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)N1CCc3ccccc31)O2 41548359 GMUATQVHEWNNHR-LJQANCHMSA-N 322.364 2.674 0 40 DFAB C[C@@H]1CN(C(=O)CCc2cnn(C)c2)c2cc(Cl)ccc2O1 81336355 URMMKCKYHIJCQE-LLVKDONJSA-N 319.792 2.820 0 40 DFAB Ic1ccccc1OCC1CCNCC1 42782913 SBOOMRHOEJAMFV-UHFFFAOYSA-N 317.170 2.670 0 40 DFAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 519772786 LSWUCAIMDHMJFO-WFASDCNBSA-N 307.365 2.860 0 40 DFAB Cc1ccc(Nc2ncnc3c2CCN([C@H]2CCOC2)CC3)cc1 96090954 JGDMZMDSXQAMJY-INIZCTEOSA-N 324.428 2.718 0 40 DFAB O=C(CCc1nncn1-c1ccccc1)NC(C1CC1)C1CC1 96430531 XHDOSPWXHBDFCA-UHFFFAOYSA-N 310.401 2.505 0 40 DFAB O=C(Nc1ccn(CCc2ccccn2)n1)N[C@@H]1C=CCCC1 95411775 NSDUUCWCBOKVNV-OAHLLOKOSA-N 311.389 2.751 0 40 DFAB Cc1nc(CCNC(=O)N2CCS[C@@H](C(C)C)C2)cs1 96439169 KBEOVYZTWFFFIW-CYBMUJFWSA-N 313.492 2.777 0 40 DFAB COC[C@@H]1COCCC12CCN(C(=O)Cc1ccccc1)CC2 96106272 FDLUSYYBRAGEMV-QGZVFWFLSA-N 317.429 2.521 0 40 DFAB CCOc1ccccc1OCCn1ccnc1-c1cnccn1 96429024 JAUJRUQWTPBMFK-UHFFFAOYSA-N 310.357 2.818 0 40 DFAB CC(C)OCCS(=O)(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 96451052 AUFMXCGCZKRTTN-GXTWGEPZSA-N 317.476 2.681 0 40 DFAB CCO[C@H]1C[C@H](NCC2(OC)CCOCC2)C12CCCCC2 97231001 GEPIUSQWBWEIKJ-HOTGVXAUSA-N 311.466 2.900 0 40 DFAB CC(C)S(=O)(=O)CCCN1CCc2ccc(F)cc2[C@@H]1C 95412421 JYXYXUNAOYDILX-ZDUSSCGKSA-N 313.438 2.958 0 40 DFAB CC[C@H](C)N1CC[C@]2(CCCN(c3cc(OC)ncn3)C2)C1 96216580 CHPGPRXBAVEJPL-WMLDXEAASA-N 304.438 2.576 0 40 DFAB COC(=O)CCN(C(=O)c1ccc(C)cn1)c1ccccc1C 97377139 YJTKTIICKBHGFY-UHFFFAOYSA-N 312.369 2.908 0 40 DFAB c1cncc(CN2CCOC3(CCNCC3)c3ccccc32)c1 96080312 LQXRNZCQTVFHJI-UHFFFAOYSA-N 309.413 2.697 0 40 DFAB CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2CCCOC2)cs1 96431534 KOKDKIFRNHMCLN-NEPJUHHUSA-N 312.435 2.626 0 40 DFAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCC[C@H](C)C2)n1 96182836 AZGAGSMTVADNBS-ZDUSSCGKSA-N 302.422 2.647 0 40 DFAB CN1CC[C@@H](NCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 245287309 BWXHEPAQBWBQAY-UKRRQHHQSA-N 308.788 2.737 0 40 DFAB CC(C)n1nccc1CNCc1ccn(CC(F)(F)F)n1 256050615 FTMVYZCGHHHCRY-UHFFFAOYSA-N 301.316 2.513 0 40 DFAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](F)C1 451653958 NNXIHPLZPGUXJD-SSDOTTSWSA-N 315.263 2.577 0 40 DFAB CCN(CC)C[C@@H]1CN(C(=O)CCC(C)C)Cc2ccnn21 585095130 ATMKEQXXBUDQKW-MRXNPFEDSA-N 306.454 2.544 0 40 DFAB Cc1ccc(CN2CCc3oc(C(=O)NC(C)C)nc3C2)cc1 585112044 KLTADTNRJWIHMD-UHFFFAOYSA-N 313.401 2.680 0 40 DFAB O=C(NCc1cc2ccccc2o1)c1ccc(N2CCCC2)nn1 69384894 KMBPKKWZEVZSHX-UHFFFAOYSA-N 322.368 2.753 0 40 DFAB CCNC(=O)NC(=O)CNc1cccc(-c2ccsc2)c1 69519768 OQJFFUQIQOQTDL-UHFFFAOYSA-N 303.387 2.673 0 40 DFAB Cc1cc(=O)n2nc(NCCSc3ccccc3)sc2n1 44897115 IVDLOVGIRVVWJN-UHFFFAOYSA-N 318.427 2.664 0 40 DFAB CCCCN1CCC(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)CC1 73967833 PUXYHSSGDFBCQJ-HOTGVXAUSA-N 305.466 2.859 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@@H]1CCO[C@@H]1c1ccccc1 97055350 FFYAZDNEYWZPIH-GVDBMIGSSA-N 318.417 2.775 0 40 DFAB O=C(COC(=O)c1ccccc1O)Nc1ccc(Cl)cc1 5078567 BENBBNZYTVMYIC-UHFFFAOYSA-N 305.717 2.841 0 40 DFAB CCc1ncc(CN(C)Cc2cc(O)nc3ccccc23)cn1 12188431 UBOBDNBUUVSMKG-UHFFFAOYSA-N 308.385 2.925 0 40 DFAB Cc1nc2ncn(-c3ccccc3)c2c(=O)n1-c1ccccc1 13207731 ZJEGAHWNYGDANQ-UHFFFAOYSA-N 302.337 2.880 0 40 DFAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 13510802 BHUWYHGAMQJNGC-BOFKIOBHSA-N 309.365 2.643 0 40 DFAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CF)C3)CC2=O)cc1 1888853718 XVUPPFFFFOSFSU-LSDHHAIUSA-N 318.392 2.556 0 40 DFAB O=c1c2cc(Br)ccc2ncn1C[C@@H]1CCCCO1 21735820 WTGAGSLDQMFANL-NSHDSACASA-N 323.190 2.728 0 40 DFAB O=C(/C=C/c1cccs1)NCc1cn(-c2ccsc2)nn1 575618904 QYAOZYHNAVWQSG-ONEGZZNKSA-N 316.411 2.720 0 40 DFAB Brc1ccc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)nc1 2298042578 VESZCGDFKIAEBP-RYUDHWBXSA-N 322.250 2.765 0 40 DFAB C[C@H](SCc1ccccc1)C(=O)Nc1nnc2ccccn12 40141983 PFWHBXUSGZIPHO-LBPRGKRZSA-N 312.398 2.990 0 40 DFAB O=C(NCCc1nnc(-c2ccccc2)o1)c1ccccc1F 40323315 GTGFIMOOKLYJES-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB CCOC(=O)c1cccc(NCN2C(=O)c3ccccc3C2=O)c1 146362 DSUKXDPZOKYESR-UHFFFAOYSA-N 324.336 2.529 0 40 DFAB CN(C)C1(CNC(=O)c2n[nH]c3ccccc23)CCCCCC1 32719930 VYELOSGIEWYXOU-UHFFFAOYSA-N 314.433 2.947 0 40 DFAB Cc1nc(C2(NC(=O)/C=C/c3ccco3)CCCCC2)no1 32902863 HDOOTFCFLNHSJX-BQYQJAHWSA-N 301.346 2.960 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccsc1)c1ccc(F)cc1 52870045 ZEVATJBSYCFZTJ-ZDUSSCGKSA-N 307.346 2.921 0 40 DFAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 533051 ULMGNNFJGOAZQX-KSFYIVLOSA-N 320.329 2.779 0 40 DFAB C[C@@H]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@H]2CCCC[C@@H]21 41908463 OOQZITNLJZBSST-KFWWJZLASA-N 308.466 2.966 0 40 DFAB CC(C)NC(=O)CC1(C(=O)NCc2ccc(F)cc2)CCCC1 22558646 BJMUYFIRWUDFLY-UHFFFAOYSA-N 320.408 2.917 0 40 DFAB O=C(CCSc1ccc(F)cc1)NCCCn1ccnc1 47465546 RSOHPHHTLPFNOY-UHFFFAOYSA-N 307.394 2.711 0 40 DFAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cccc(F)c1 67434 XQCGTLAKAXLAMW-AWEZNQCLSA-N 306.337 2.749 0 40 DFAB O=C(Nc1cccc2[nH]ccc12)N1CCC(C2OCCO2)CC1 105028904 DNCIAPUCUYCJPC-UHFFFAOYSA-N 315.373 2.785 0 40 DFAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCc2ccccc21 96048 QXVQIQIHWVAAAL-GHRIWEEISA-N 306.365 2.753 0 40 DFAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccnc1 184366 GIQKDTJASUPXLU-UHFFFAOYSA-N 318.686 2.897 0 40 DFAB FC(F)(F)c1cccc(Cn2nnc(-c3cccnc3)n2)c1 12428684 AVKRHJJNTGCKKJ-UHFFFAOYSA-N 305.263 2.802 0 40 DFAB COC(=O)c1nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)oc1C 34169929 ILOKVPSQVKYVMI-JTQLQIEISA-N 312.366 2.991 0 40 DFAB O=C(NCCc1ccc(F)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 24002747 YCBFRCNAWWURST-YIONKMFJSA-N 303.377 2.880 0 40 DFAB COc1cc(CN[C@H]2COc3ccccc3C2)cc(OC)c1O 42992739 SJSVEVCHRSBVOU-CQSZACIVSA-N 315.369 2.503 0 40 DFAB CCc1ccc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)o1 79018785 OYWAXKVKFDFRMP-LBPRGKRZSA-N 322.405 2.923 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)C1CC1 79709176 YSDTYRBAMYRAAR-CQSZACIVSA-N 308.328 2.694 0 40 DFAB CSCc1cc(N2CCOCC2)nc(-c2ccccc2)n1 1382558 MLNZIJKKSLNUDK-UHFFFAOYSA-N 301.415 2.843 0 40 DFAB Cc1nnc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)s1 43408399 POYUYDRYONYIFD-SECBINFHSA-N 306.391 2.695 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 6067791 CEMLAYQDMWFPDU-NQVCGYLFSA-N 306.446 2.930 0 40 DFAB CC(C)=CC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F 35197111 MATPTBPRSNVWJN-ZDUSSCGKSA-N 308.378 2.632 0 40 DFAB CC(C)c1ccc(S(=O)(=O)c2cnc(=S)[nH]c2O)cc1 57509339 RREXKIKYUCZVLW-UHFFFAOYSA-N 310.400 2.801 0 40 DFAB CCOC(=O)c1csc(NC(=O)CCc2ccccc2)n1 3212262 FJCIMBPMTJOZRQ-UHFFFAOYSA-N 304.371 2.891 0 40 DFAB CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccccn1 57882047 WJNBMNJRDQKMNM-UHFFFAOYSA-N 313.283 2.504 0 40 DFAB C[C@@H]1COCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 27209889 ADOKIMDJHNEXDS-HZPDHXFCSA-N 324.424 2.876 0 40 DFAB COCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 44894227 YDFZUDJWUQAAAM-UHFFFAOYSA-N 306.337 2.566 0 40 DFAB Cc1cccc(C(C)(C)CNC(=O)NCc2cnn(C)c2)c1 58203362 ZSVDFVOFEXXIRF-UHFFFAOYSA-N 300.406 2.506 0 40 DFAB O=C1N[C@@H](c2ccc(OCc3ncon3)cc2)Nc2ccccc21 58230009 WTFBOVTVKTZFCA-INIZCTEOSA-N 322.324 2.503 0 40 DFAB COc1cc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)ccn1 58343439 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CCOc1ccc(NC(=O)CNC(=O)C(C)(C)C)cc1Cl 46667949 ZXUQMPMDXMCCGO-UHFFFAOYSA-N 312.797 2.840 0 40 DFAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccccc2)on1 2795461 KVOAUDOGNORYBH-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CN1CCc2ncnc(N(C)Cc3ccc(Cl)s3)c2C1 65473871 UMLALNZSUVVIRY-UHFFFAOYSA-N 308.838 2.816 0 40 DFAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 12687987 CJAKXIQWNGKCDH-ZDUSSCGKSA-N 305.422 2.669 0 40 DFAB CCO[C@@H](CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 48274732 UUJTXMXHRRHBGL-AWEZNQCLSA-N 306.406 2.969 0 40 DFAB CCc1ccccc1NC(=O)CCCNC(=O)c1ccco1 12906399 PPBHVSYLXCZRCH-UHFFFAOYSA-N 300.358 2.991 0 40 DFAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1 49544992 KJWFZAUCKPZFNX-ZDUSSCGKSA-N 317.370 2.631 0 40 DFAB CC(C)N(C(=O)COC(=O)c1c[nH]c2ccccc12)C(C)C 6115038 STVAKSZLWKBWLK-UHFFFAOYSA-N 302.374 2.970 0 40 DFAB CN(C)C1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 72012847 ODSDDAUZEVEEHG-NEPJUHHUSA-N 306.372 2.908 0 40 DFAB Cc1ccccc1[C@@H](C)N(C)Cc1nc(O)c2cnn(C)c2n1 65410955 PSXOXAIPUNISQS-GFCCVEGCSA-N 311.389 2.570 0 40 DFAB CCc1nnsc1C(=O)N1CCC[C@H](c2nccs2)C1 171644924 FXVAZIVBWWMGFS-VIFPVBQESA-N 308.432 2.577 0 40 DFAB O=C(O)c1ccc([C@@H]2NC(=O)c3cc(Cl)ccc3O2)cc1 14242467 VIZWGGASYRLOOR-CQSZACIVSA-N 303.701 2.859 0 40 DFAB Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(S)nnc12 6507766 SVCJVVHQEWDNOQ-UHFFFAOYSA-N 322.393 2.939 0 40 DFAB Cc1ccc(O)c(C(=O)OCC(=O)N[C@H](C)c2cccs2)c1 5679115 RQGUYBUORYCPAB-LLVKDONJSA-N 319.382 2.796 0 40 DFAB C[C@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@H](C)O1 5629005 ZCVKCRRYQNDZSY-QWRGUYRKSA-N 306.387 2.556 0 40 DFAB NC(=O)C[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 93809008 WOVXDSBRFIGFFW-INIZCTEOSA-N 309.413 2.836 0 40 DFAB Cc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc(C)c1CC(C)C 80227551 CSVYBSGVXASXHP-HNNXBMFYSA-N 318.465 2.774 0 40 DFAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1C1CC1 9512856 YAOHLYIFDHYLHR-UHFFFAOYSA-N 317.418 2.736 0 40 DFAB O=C(NCc1nnc2ccccn12)c1cc2c(s1)CCCC2 7777070 ANFGESIHLMGZAI-UHFFFAOYSA-N 312.398 2.600 0 40 DFAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC 7737130 LHHPGORJYPHUTR-NSHDSACASA-N 322.434 2.955 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1OC 8119202 JWPITNNVKUQLFM-CQSZACIVSA-N 320.433 2.585 0 40 DFAB Cc1cc(C)n(C[C@H]2CN(c3nc4ccccc4o3)CCO2)n1 69349954 OWPQKDYTACFYGS-CQSZACIVSA-N 312.373 2.547 0 40 DFAB O=C(Cc1cccc(O)c1)Nc1ccnn1Cc1ccsc1 71897969 FHQQNVGICNAQDG-UHFFFAOYSA-N 313.382 2.880 0 40 DFAB O=C(NCc1cccnc1)c1cc(F)ccc1Br 17169118 OMDJVWZLOVNXRY-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB Cn1cc([C@H]2CCCN2CCC(=O)N2CCc3ccccc32)cn1 69840874 DXKIVYHRQLIBTR-QGZVFWFLSA-N 324.428 2.536 0 40 DFAB Cc1nccn1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 69919103 YVPCHSPHMOWTHB-KRWDZBQOSA-N 323.396 2.831 0 40 DFAB O[C@H](CN1CCCC[C@@H]1Cn1cccn1)c1cccc(F)c1 69946540 HZJNURYUUVBBSF-IAGOWNOFSA-N 303.381 2.610 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 9652891 OOOVZWUDNPPIAA-UHFFFAOYSA-N 321.279 2.769 0 40 DFAB COc1cccc(OC)c1OCCSc1nc(C)cc(O)n1 8750436 GXVCUZHAJXZTRU-UHFFFAOYSA-N 322.386 2.679 0 40 DFAB C[C@@H](CC(=O)N1CCCCCC1)NC[C@](C)(O)c1ccccc1 95422471 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CCN(CC(=O)N(C)C)Cc1coc(-c2cccc(Cl)c2)n1 95356514 PFFBELPIXOVMRH-UHFFFAOYSA-N 321.808 2.905 0 40 DFAB CC[C@H](NC(=O)N1c2ccccc2C[C@H]1C)c1noc(C)n1 95963100 ZUHZBNHMLSEBST-MFKMUULPSA-N 300.362 2.990 0 40 DFAB Cc1nc([C@@H]2CN(CCCc3ccccc3C)CCO2)no1 95964547 VDXRCRXRHZEETM-INIZCTEOSA-N 301.390 2.693 0 40 DFAB CC(C)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)c1 95974433 MNRVKZGOOAEHCS-DOTOQJQBSA-N 320.433 2.776 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1c1ncnc2sccc12 95980050 PPYXUSRHVAVQDI-LBPRGKRZSA-N 315.402 2.609 0 40 DFAB Cc1ccc(-c2nnc(NC(=O)c3cccc4cn[nH]c34)[nH]2)o1 95996080 NKVHPXFMEJHUEN-UHFFFAOYSA-N 308.301 2.502 0 40 DFAB O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cscn1 89855904 WTXNSGNYLOBKJL-UHFFFAOYSA-N 324.352 2.857 0 40 DFAB CCCn1ccc2cc(NC(=O)NCCc3nc[nH]n3)ccc21 89960759 CSNNUFAPZGQAAS-UHFFFAOYSA-N 312.377 2.534 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@@H]1CCCO1 75602330 YZLQWMJXDZJZRJ-NWDGAFQWSA-N 311.813 2.615 0 40 DFAB CCc1noc([C@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2OC)n1 75605343 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DFAB Cc1cccc2c(N3C[C@H](CN)C4(CCOCC4)C3)nccc12 567879442 SYHJGNAMLDOFMX-HNNXBMFYSA-N 311.429 2.735 0 40 DFAB C[C@H]1[C@@H](C)SCCN1C(=O)CCOCC(F)(F)C(F)F 191910689 BBHDDXFZXHZTIN-DTWKUNHWSA-N 317.348 2.646 0 40 DFAB CCOc1ccccc1NC(=O)NCc1c2c(nn1C)CCC2 225818698 UJQUMNUARQCRDU-UHFFFAOYSA-N 314.389 2.629 0 40 DFAB CC1(C)[C@@H](NC(=O)N[C@H]2CCc3ccc(F)cc32)[C@@H]2CCO[C@@H]21 195530798 PSSLEQYURXJJIU-TUUVXOQKSA-N 318.392 2.926 0 40 DFAB CCOc1cc(CNC(=S)Nc2ccncc2)ccc1OC 225771678 QNXXDKLVCOJWBU-UHFFFAOYSA-N 317.414 2.976 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccnc(C)n1 191318268 NSOMRYTUEJOXSI-UHFFFAOYSA-N 313.401 2.852 0 40 DFAB CS[C@H](C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192405670 OEURURLSSGQFLL-LLVKDONJSA-N 313.850 2.902 0 40 DFAB COc1ccc(Cl)cc1[C@H](C)NCc1ccc(C(N)=O)o1 90179200 RAPRUWRZFJRMSV-VIFPVBQESA-N 308.765 2.891 0 40 DFAB O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCCOC1 95403519 FWIVSQGBDOYQLV-HMDXOVGESA-N 316.220 2.819 0 40 DFAB O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(O)cc1F 97098006 PURFMJJBZKIHKZ-UHFFFAOYSA-N 322.380 2.505 0 40 DFAB COc1ccc(C[C@H](Oc2ccccc2)C(=O)O)c(OC)c1 141592734 IDKWRDUGFXAJGC-INIZCTEOSA-N 302.326 2.779 0 40 DFAB COCc1ccc([C@H]2CCCN2C(=O)NCC[C@@H]2CCCO2)o1 96503255 SHSBBEGRHVFMJF-DZGCQCFKSA-N 322.405 2.842 0 40 DFAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)C3CC3)C2)C1 96216084 OSYMSEOXNUROFH-GOSISDBHSA-N 317.433 2.516 0 40 DFAB CN(C)[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21 96079170 YUBOMOXXSPBSLJ-YJBOKZPZSA-N 300.446 2.816 0 40 DFAB c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)nc1 96041811 NFJYMUVAWBPCNE-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB Cn1cc(N2CCC[C@H](Sc3ncccc3Cl)C2=O)cn1 96424844 BEEVZANIUXRVDD-LBPRGKRZSA-N 322.821 2.756 0 40 DFAB CCOC[C@@H]1CN(Cc2ccccc2F)Cc2cncn2C1 96208047 XDYONTSKFACOAY-CQSZACIVSA-N 303.381 2.691 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(C)o2)Cc2cn(CC)nc21 96059909 DOHPCHLZPCZFFB-OAHLLOKOSA-N 303.406 2.940 0 40 DFAB Cc1nn(C)c(=O)c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c1C 96407292 YISAYHSEHNQBAL-AWEZNQCLSA-N 319.449 2.686 0 40 DFAB CCO[C@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1ccncc1 96200756 GTGVOGGWUZBAHM-IRXDYDNUSA-N 300.402 2.596 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NC1(c2ccccc2)CC1 95401087 FVQSPBHPHDFWCC-ZNMIVQPWSA-N 300.402 2.788 0 40 DFAB CC(=O)N1CCCN(C(=O)[C@H]2CCCS2)c2ccccc21 96441092 VIKRWINTSDLVHM-OAHLLOKOSA-N 304.415 2.672 0 40 DFAB CC1(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)CC1 95415231 PRABVRLKPLFUTH-UHFFFAOYSA-N 322.412 2.592 0 40 DFAB CN1CCC[C@@H](Nc2cccc(OCC(F)(F)F)c2)C1=O 539807079 WCDZDLNGYFLJBA-GFCCVEGCSA-N 302.296 2.660 0 40 DFAB Cc1cncc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 257218479 DDGUCHHWISAUTR-MRXNPFEDSA-N 310.401 2.519 0 40 DFAB Cc1cc2nc(C3CCN(c4ncccn4)CC3)cc(C)n2n1 257331395 XSRDITUFDDKBDL-UHFFFAOYSA-N 308.389 2.520 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 257323165 WIZJQNGVLXGYDN-MRXNPFEDSA-N 313.401 2.806 0 40 DFAB Cc1cncc(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 257333821 YDEYUMRTNGXQEU-UHFFFAOYSA-N 321.384 2.681 0 40 DFAB O=C(O)c1ccccc1-n1cc(Cn2cnc3ccccc32)cn1 257335329 YJSLDRIVGWESHY-UHFFFAOYSA-N 318.336 2.969 0 40 DFAB CC(C)(C)n1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)nn1 585093585 GKDSWYPPHWNTHK-RHSMWYFYSA-N 313.449 2.929 0 40 DFAB CC(=O)N1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 28962420 FWTULQJHUTUUFI-UHFFFAOYSA-N 319.792 2.659 0 40 DFAB Cc1ccc(NC(=O)[C@@H]2COCCO2)c(SC(F)(F)F)c1 69414183 DFPKZDYNRNEVRK-JTQLQIEISA-N 321.320 2.961 0 40 DFAB CCN(CCO)C(=O)Nc1ccc(OC(=O)OC(C)(C)C)cc1 72271356 YMIDROFSTDAERU-UHFFFAOYSA-N 324.377 2.847 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)c2ccc3ccccc3c2)C1=O 44261240 ZHOYWIOUTCPNJN-APWZRJJASA-N 324.380 2.594 0 40 DFAB CC(C)c1noc([C@@H](C)Oc2ccc(S(C)(=O)=O)cc2)n1 44908612 AQGPVJMIWQGQJT-SNVBAGLBSA-N 310.375 2.737 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H]1c1ccsc1 46464761 HHTXQGDBGKUNML-JSGCOSHPSA-N 304.419 2.880 0 40 DFAB CC1CCN(c2ccc(NC(=O)c3nccnc3N)cc2)CC1 73301679 IFWJBKSSYCTZAD-UHFFFAOYSA-N 311.389 2.547 0 40 DFAB O=C(COc1ccc(Br)cc1)NCC(F)(F)F 42199612 VLQZJTVNRCGCIQ-UHFFFAOYSA-N 312.085 2.506 0 40 DFAB CCOc1ccc2nc3c(cc2c1)CN(CCOC)C(=O)O3 12222204 VETYZFGXIAPHLG-UHFFFAOYSA-N 302.330 2.594 0 40 DFAB CC[C@@H](C)NC(=O)COc1c(C(=O)O)ccc2ccccc12 13319507 XGRPOBDZVRWHIB-LLVKDONJSA-N 301.342 2.832 0 40 DFAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CN1CCCC1 19202220 DKSGSEBFXLVNPF-UKTHLTGXSA-N 306.362 2.915 0 40 DFAB Fc1ccc(Oc2nc(N3CCCC3)nc3c2CNCC3)cc1 19336059 JTBSKVJBDSCZIH-UHFFFAOYSA-N 314.364 2.654 0 40 DFAB O=C1CCC[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)N1Cc1ccccc1 19713149 HHMRAKNKBLGCRS-IAGOWNOFSA-N 324.428 2.565 0 40 DFAB COc1ccccc1SC[C@H](C)CNC(=O)[C@@H]1CCCCN1 158743121 ULOGSHGWMGIXSA-KGLIPLIRSA-N 322.474 2.682 0 40 DFAB COc1ccc(Cc2nc(CC(=O)Nc3ccccc3)no2)cc1 35316275 AMHAFNQTEXPWEM-UHFFFAOYSA-N 323.352 2.850 0 40 DFAB COc1ccc(OCC(=O)Nc2ccc3c(c2)ncn3C)cc1 4941538 NWRQCZMLTZZBEU-UHFFFAOYSA-N 311.341 2.599 0 40 DFAB COc1ccc(C[C@H]2COc3cc(O)cc(O)c3C2=O)cc1 13327497 IERGURVELWCYAW-NSHDSACASA-N 300.310 2.540 0 40 DFAB biogenic,in-vitro C[C@@H](Oc1cccc(Br)c1)c1nnc2n1CCOC2 583213914 IFPQYIPKXRPOGO-SECBINFHSA-N 324.178 2.711 0 40 DFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccnc1 18106358 YXPHUBJCABMGSW-ZDUSSCGKSA-N 303.387 2.536 0 40 DFAB Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccc[nH]1 4790822 JPNHJNWJSQUDAS-UHFFFAOYSA-N 318.427 2.771 0 40 DFAB O=C(C1CC1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888860413 AMOALUCWUJJYOM-CQSZACIVSA-N 323.396 2.781 0 40 DFAB COc1ccccc1N1CCN(c2ccnc(SC)n2)CC1 1889119574 JIANMSLVGWCTFL-UHFFFAOYSA-N 316.430 2.534 0 40 DFAB Cc1nn(C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1Br 2776946 KEMSLCJTRKMENS-IUCAKERBSA-N 314.227 2.894 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccncc3)CC2=O)cc1C 4272604 IHGXPSRSSVSBOK-OAHLLOKOSA-N 324.384 2.625 0 40 DFAB COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1 4751467 SLFWKZLVTGWZEQ-AAEUAGOBSA-N 324.760 2.713 0 40 DFAB O=C(CCc1ccc(O)cc1)OCC(=O)OCc1ccccc1 309901462 IMCBPHKZSOWOCZ-UHFFFAOYSA-N 314.337 2.611 0 40 DFAB O=Cc1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1 84988 OGZXZAUDPFIESG-UHFFFAOYSA-N 304.129 2.637 0 40 DFAB COc1ccc(-c2csc3ncnc(NCCN)c23)cc1 20322374 DAOJBFMPDDKZLO-UHFFFAOYSA-N 300.387 2.738 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)c1cccc(OC)c1)CC(C)C 31705542 VKWVPOBJAHYZPM-AWEZNQCLSA-N 322.405 2.586 0 40 DFAB C[C@H]1CCCN(CCNC(=O)N[C@@H](C)Cc2ccsc2)C1 52524787 KBMWVEPXSQDNMS-KBPBESRZSA-N 309.479 2.710 0 40 DFAB O=C(CCCNC(=O)C1CC1)Nc1ccccc1OC(F)F 32940805 NGQWHHCKIBAQRW-UHFFFAOYSA-N 312.316 2.533 0 40 DFAB COc1ccc(NC(=O)c2cnc3ccccc3n2)c(OC)c1 428042 ZWXOTGZBIFICHQ-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB C[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 23692106 QEWMFQWXNATSBN-ZDUSSCGKSA-N 317.410 2.624 0 40 DFAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccnc(-n2cncn2)c1 54673496 FTDCXJXHYSBTKH-QGZVFWFLSA-N 319.368 2.543 0 40 DFAB COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1OC 264125 HLDCYNDNPFDSHP-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)s1)N1CCCC1 55105435 KFDZJOGQEZAENG-JTQLQIEISA-N 312.822 2.629 0 40 DFAB CCNc1nc(NC(C)C)nc(N2CCc3ccccc3C2)n1 1584504 SLZBQVIVQCZQHK-UHFFFAOYSA-N 312.421 2.686 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)CCCn1ccnc1 72273695 CTKXFCZWUYEJHG-UHFFFAOYSA-N 320.481 2.634 0 40 DFAB C[C@@H](O)C1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 72288821 OXYMYNPBLJAUBN-CQSZACIVSA-N 319.445 2.982 0 40 DFAB Cc1cccc(NC(=O)Cc2cccc3cccnc23)c1C(N)=O 72290609 LPEVSEYFHTUDPF-UHFFFAOYSA-N 319.364 2.823 0 40 DFAB CCc1nc(CNC(=O)c2ccc(Cl)cc2Cl)no1 6169026 MHTUJGVSQQQMNJ-UHFFFAOYSA-N 300.145 2.869 0 40 DFAB CC(C)=CC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F 35197110 MATPTBPRSNVWJN-CYBMUJFWSA-N 308.378 2.632 0 40 DFAB CC[C@H](C)[C@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 57073391 GJXXRJYHINFXCU-KBPBESRZSA-N 302.418 2.973 0 40 DFAB Cc1ccc2cc(C(=O)Nc3ccc(=O)n(C)c3)c(C)nc2c1 58150101 GNQQZKVFVOVVQR-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB C/C=C/CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 58332234 NZSIZBWIEMWSMH-FSIBCCDJSA-N 301.795 2.658 0 40 DFAB CCCCn1nc(C(=O)Nc2ccc(C)c(F)c2)ccc1=O 11781601 JBWBMUAJGWSVGG-UHFFFAOYSA-N 303.337 2.743 0 40 DFAB COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2)cc1 2632476 OHPLHUTYEYLXON-UHFFFAOYSA-N 313.353 2.810 0 40 DFAB CC(C)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 46610129 GZQGNGARZNBWOM-UHFFFAOYSA-N 324.428 2.999 0 40 DFAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C[C@@H](C)O)CO3 61968997 XJVXIRRZURJECM-MRVPVSSYSA-N 323.776 2.596 0 40 DFAB C[C@H](NC(=O)NCCN1CCCCCC1=O)c1cccs1 47978223 KRXZVFSVKCXIKC-LBPRGKRZSA-N 309.435 2.511 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)no1 12852273 URDXKXSYMAVIDW-MRXNPFEDSA-N 324.384 2.636 0 40 DFAB Cc1nc(N2CCN(C)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 3459934 GSWKNIGGDKFNCL-NSHDSACASA-N 316.474 2.876 0 40 DFAB CC[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 48441897 VOYDJQXXSKQWLW-CQSZACIVSA-N 317.433 2.971 0 40 DFAB Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(F)ccc21 22236184 NPADITAITZMYHR-UHFFFAOYSA-N 324.355 2.650 0 40 DFAB Cc1ccsc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 3568015 BLHDOPMLVNVTDA-UHFFFAOYSA-N 316.382 2.947 0 40 DFAB O=C(Nc1ccco1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 13843364 LUXTUQXDQQZWIB-ZDUSSCGKSA-N 300.314 2.649 0 40 DFAB COC(=O)c1c(C)nn(CN2CCC[C@H](C(F)(F)F)C2)c1C 65562211 FBYDGWQVCYTDRZ-NSHDSACASA-N 319.327 2.518 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)C1CCCC1)c1ccc(F)cc1 9378304 ADMADRLIWSKQSD-HNNXBMFYSA-N 301.365 2.955 0 40 DFAB Cc1cc2oc(C(=O)NCc3ccncc3)cc(=O)c2cc1C 5348391 SECKPKGYZJQQHT-UHFFFAOYSA-N 308.337 2.735 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)o1 95397981 DCVNCOBWQBEEFD-OAGGEKHMSA-N 312.369 2.687 0 40 DFAB Cn1c(=O)n(Cc2nc(C(F)(F)F)cs2)c2ccccc21 95435004 CPMCQJBMPSNYRX-UHFFFAOYSA-N 313.304 2.864 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2cccc3cccnc23)cn1 71796978 DCEUJRNOGNXAEV-MRXNPFEDSA-N 306.369 2.946 0 40 DFAB COc1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1 14848563 AERQJYXWTSXXRM-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB Cn1cc(CCC(=O)N[C@H](c2cc(F)ccc2F)C2CC2)cn1 96432717 QHWGBAHJAXMQIY-KRWDZBQOSA-N 319.355 2.898 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H](c3nccs3)C2)cn1 67048089 UVUMWLJPXCRXLU-AWEZNQCLSA-N 301.415 2.795 0 40 DFAB O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCOc2ccccc21 7216818 OYAHRUOLFLKMIO-NVXWUHKLSA-N 323.348 2.928 0 40 DFAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 67619944 STENLDRMZOBQEB-AWEZNQCLSA-N 308.809 2.813 0 40 DFAB O=C(NCc1ccccn1)Nc1nnc(CC2CCCC2)s1 71803421 ZXQGJTVHGGEJSV-UHFFFAOYSA-N 317.418 2.988 0 40 DFAB C[C@@H](O)C1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 84636625 ARXDGHDVWCPXTL-WBMJQRKESA-N 322.836 2.538 0 40 DFAB COc1c(Br)cccc1CCN[C@H]1CCO[C@H]1C 90909460 DOKQVRAKRCVZAN-GWCFXTLKSA-N 314.223 2.767 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)o1 8133379 OJPCAGLOHVDNNL-UHFFFAOYSA-N 301.342 2.940 0 40 DFAB Cc1csc(CNC(=O)N2CCN(C)c3ccccc3C2)n1 69259856 JKNSLFKCLRTJDR-UHFFFAOYSA-N 316.430 2.613 0 40 DFAB CC(C)(C)c1nc(CN2CCC[C@H](c3ccncn3)C2)no1 70038531 IULACAIEAIRALN-LBPRGKRZSA-N 301.394 2.537 0 40 DFAB CCc1[nH]c(C(=O)N[C@@H](C)c2ccncc2)c(C)c1C(=O)OC 69352944 TYFUTRCVDVUOAB-NSHDSACASA-N 315.373 2.558 0 40 DFAB c1cc2c(cc1CSc1nnnn1C1CCCC1)OCO2 8391639 ZQDSEBCECFKVNO-UHFFFAOYSA-N 304.375 2.809 0 40 DFAB Cn1cnc2c1CCN(Cc1ccc(Br)s1)C2 69492981 SCQPVSYKORMGCJ-UHFFFAOYSA-N 312.236 2.802 0 40 DFAB CCCCCC(=O)NCCCNC(=O)c1cc2ccccc2[nH]1 8404586 GWLDDMQKWWINCK-UHFFFAOYSA-N 315.417 2.984 0 40 DFAB COc1cccc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)c1OC 69659832 IEDMTOXATVKMHN-UHFFFAOYSA-N 324.340 2.741 0 40 DFAB NC(=O)[C@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 95433643 DHDJAEZFIFSHFS-GFCCVEGCSA-N 322.817 2.574 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2Cc2nnsc2Cl)c1 69816062 XFEGNTWDTMJCQJ-LLVKDONJSA-N 311.842 2.751 0 40 DFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccn1 8747129 DTCOVWRCHQAOAP-UHFFFAOYSA-N 309.291 2.569 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCCC[C@H]1C1OCCO1 71186259 QYCWUTNJTUTVFJ-AWEZNQCLSA-N 309.793 2.637 0 40 DFAB CN1CCN(C(=O)Cc2cccc(O)c2)c2ccc(F)cc21 97059511 IDIFTXUZNJCWGN-UHFFFAOYSA-N 300.333 2.557 0 40 DFAB CCN(Cc1cc(Br)ccc1F)C(=O)CCCN 97019123 OUQZZQKODGXGGD-UHFFFAOYSA-N 317.202 2.676 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCC[C@@H]1N 85366501 BRACCFOEWXXKKB-YPMHNXCESA-N 311.223 2.535 0 40 DFAB COc1cc(CN2CC[C@H](NCc3ccoc3)C2)cc(OC)c1 88755732 UHGUEEQCBPTYQR-INIZCTEOSA-N 316.401 2.661 0 40 DFAB Cc1cc(C)n(-c2ccc(COC(=O)c3ccnnc3)cc2)n1 89421674 BESDSFWMTLQXCF-UHFFFAOYSA-N 308.341 2.636 0 40 DFAB O=C(OCCNc1ccc(C(F)(F)F)cn1)c1cscn1 89794212 AZTHPBBIGAQLGH-UHFFFAOYSA-N 317.292 2.826 0 40 DFAB Cc1nc([C@H]2CCCN2CC(=O)NCCC2=CCCCC2)no1 75573071 GARKHPQAFVXVGS-OAHLLOKOSA-N 318.421 2.522 0 40 DFAB Cc1cn2c(=O)cc(COC(=O)c3cccc(F)c3)nc2s1 21538568 PEZIEUIPSVTWSJ-UHFFFAOYSA-N 318.329 2.561 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccccc2Br)C1=O 409230167 CDBUWPMPXXZJRB-DHZHZOJOSA-N 309.163 2.752 0 40 DFAB Cn1cc(C[C@@H]2CCN(c3ncnc4c(F)cccc34)C2)cn1 555804812 IAUALABYNLDHGQ-LBPRGKRZSA-N 311.364 2.571 0 40 DFAB Cc1c(-c2nc3cnccn3c2NCc2ccco2)cnn1C 72342002 RYHLFONTZGPEKE-UHFFFAOYSA-N 308.345 2.643 0 40 DFAB O=C(NCC(F)(F)F)c1csc(Nc2ccccn2)n1 62022549 XQORWOJZNRQFHI-UHFFFAOYSA-N 302.281 2.574 0 40 DFAB CC(C)C[C@@H](C)OC(=O)C1CCN(C(=O)c2ccccn2)CC1 76879796 XYIIXVPMOVSCGC-CQSZACIVSA-N 318.417 2.912 0 40 DFAB Cc1cc(NC(=O)CN2CC=C(c3ccc(C)o3)CC2)no1 72342299 IBUDHMURGGDQDI-UHFFFAOYSA-N 301.346 2.612 0 40 DFAB c1cnn(-c2ccc(CNc3nnc([C@@H]4CCCO4)o3)cc2)c1 181970680 HITOAUFKQVCVBO-AWEZNQCLSA-N 311.345 2.719 0 40 DFAB 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Cc1nc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2)s1 13224976 GKDDPSDRQGFERQ-LBPRGKRZSA-N 304.371 2.706 0 40 DFAB O=C(O)CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 13428941 YZCHZCLOBJHAKX-UHFFFAOYSA-N 301.317 2.943 0 40 DFAB C[C@H](O)c1nc2ccccc2n1Cc1cnn(C)c1C(F)(F)F 96007341 BZZBHXSTUDVWPN-VIFPVBQESA-N 324.306 2.890 0 40 DFAB COC(=O)CSc1nc(-c2ccccc2)nc(C)c1[C@@H](C)O 9303124 FHGUMHLKTABKIU-LLVKDONJSA-N 318.398 2.770 0 40 DFAB COc1cc2[nH]c3c(=O)n(CC(C)C)cnc3c2cc1OC 5340829 IWHMYSNYRLTZTD-UHFFFAOYSA-N 301.346 2.551 0 40 DFAB COc1ccc(C(N)=O)c(OCc2nc3ccccc3s2)c1 14199370 PFQBIDRBJGKRIG-UHFFFAOYSA-N 314.366 2.983 0 40 DFAB C[C@@H]1CCC[C@@H](N2CCC(NCCCn3cccn3)CC2)C1 95419820 PCSSIBZRKBXHJJ-SJLPKXTDSA-N 304.482 2.906 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ncccn2)c1C 6561603 LCWSGLQEJSFCBU-UHFFFAOYSA-N 319.386 2.573 0 40 DFAB Cc1occc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 68142158 RCYQYALXOSATFQ-INIZCTEOSA-N 313.353 2.936 0 40 DFAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(C(N)=O)cc1 7619180 AEEPEUBAPUCZQM-CYBMUJFWSA-N 323.396 2.565 0 40 DFAB COc1ccccc1CC(=O)Nc1nc(C)c(C(C)=O)s1 7814344 WIOLNVLWAOUKHT-UHFFFAOYSA-N 304.371 2.844 0 40 DFAB c1cc(-c2nc3c(c(N4CC[C@]5(CCOC5)C4)n2)CCC3)ccn1 96462119 XEVOHFRANWRUJK-IBGZPJMESA-N 322.412 2.644 0 40 DFAB CC[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)N(CC)CC2 96434607 UMDUQDYSJNWTGG-OAHLLOKOSA-N 303.406 2.712 0 40 DFAB CCOc1ccccc1[C@H](CC(=O)N1CCCCC1)NC(C)=O 69420229 DANZOLAUWKXWOQ-INIZCTEOSA-N 318.417 2.665 0 40 DFAB Cc1c(C(=O)N2CCCC[C@@H]2C(N)=O)oc2c(Cl)cccc12 69417345 AEDZPSMBHFQLLE-GFCCVEGCSA-N 320.776 2.875 0 40 DFAB O=c1ccccn1Cc1nnc(-c2ccccc2C(F)(F)F)o1 69433413 MKSDZWNEIVNJGY-UHFFFAOYSA-N 321.258 2.965 0 40 DFAB C[C@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@@H](C)O1 17325732 HNLHAZLKRPLJNX-TXEJJXNPSA-N 304.415 2.865 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2Cc2noc(C3CC3)n2)c1 71875373 USDRYYSVKYHPLH-AWEZNQCLSA-N 301.394 2.507 0 40 DFAB Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(N)=O)c2ccccc2)cc1C 71834984 NGWBLGHPIORLBF-KSZLIROESA-N 322.408 2.750 0 40 DFAB CC(C)C(=O)Nc1ccc(C2=NN=C(NC3CC3)SC2)cc1 9642812 XQKKVWAEISIISS-UHFFFAOYSA-N 316.430 2.840 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCCN2CCC[C@@H]2C1 84451578 OPPLLHCSDOFDST-GFCCVEGCSA-N 301.365 2.617 0 40 DFAB C[S@@](=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 83990155 MFCHVOLKUBYHLG-ZHRRBRCNSA-N 316.426 2.871 0 40 DFAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1CCCC1 9750225 KTZCJDBAPNESLV-MRVPVSSYSA-N 322.459 2.813 0 40 DFAB CCN(C)C(=O)CCN[C@H](C)c1ccccc1Br 97032976 YDBVDDVSFRNGTD-LLVKDONJSA-N 313.239 2.968 0 40 DFAB O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)o1 97036074 IRMKFFXVYPYROC-GHMZBOCLSA-N 321.279 2.676 0 40 DFAB Cc1ccc(CCC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)o1 97017507 KRQJTRZQRIUJAK-HNNXBMFYSA-N 319.332 2.992 0 40 DFAB Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3cnccn3)c2c1 73797583 HBXSMLMHUZOVIO-UHFFFAOYSA-N 308.385 2.858 0 40 DFAB CC1(C)CN(C(=O)c2ccc3ccccc3c2O)CC[S@]1=O 88457254 KGKGAJYAJBIZCP-QFIPXVFZSA-N 317.410 2.529 0 40 DFAB CCN(C)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 88635548 JTAIMMPPBVCLPF-CQSZACIVSA-N 306.406 2.572 0 40 DFAB CS[C@H](CNC(=O)N(C)C[C@H](C)O)c1cccc(Cl)c1 95983884 XCGXOORRJNYYMJ-GXFFZTMASA-N 316.854 2.766 0 40 DFAB CN(CCC(=O)Nc1cccc(F)c1)C[C@@H]1CCCC[C@@H]1O 95994294 FFQDEESKYHNDOK-BBRMVZONSA-N 308.397 2.637 0 40 DFAB CCCN1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnc[nH]2)cc1 95957456 GARBIIIOFHSHSV-OAHLLOKOSA-N 313.405 2.675 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1c[nH]nc1C(C)(C)C)CCC2 89702110 NBFRSCXWKORROM-ZDUSSCGKSA-N 301.438 2.879 0 40 DFAB C[C@H](CNC(=O)N(C)[C@@H](C)c1ccco1)CC1(C)OCCO1 89895123 OKAPPNBMSFDTBT-STQMWFEESA-N 310.394 2.771 0 40 DFAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CCc2ccc(F)cc21 76083132 AIRHLSZAKRMGCM-KRWDZBQOSA-N 320.408 2.508 0 40 DFAB CCc1cc(C(N)=O)c(NC(=O)c2cc(F)ccc2F)s1 27918327 XAMRWMXNZRQHDG-UHFFFAOYSA-N 310.325 2.940 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ccn[nH]2)C1 170674232 SUAKVQSRXPSSFI-CQSZACIVSA-N 306.369 2.978 0 40 DFAB Cc1cccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 35622903 ITPUKCZTUMISDI-JKSUJKDBSA-N 319.449 2.594 0 40 DFAB CCn1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)n1 36613666 SUPIRSIBJTUEQD-SNVBAGLBSA-N 313.361 2.547 0 40 DFAB c1ccc(-c2csc(CN=c3nc(C4CC4)[nH]s3)n2)nc1 521398437 HBCDDZWRUOIBJO-UHFFFAOYSA-N 315.427 2.968 0 40 DFAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3ncccc3C)n2)C1 72377477 KFEHHVGSRJENHH-CQSZACIVSA-N 311.389 2.650 0 40 DFAB O=C(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCc2c[nH]nc21 528844958 KIAIMQUZIGYJOH-CYBMUJFWSA-N 307.756 2.939 0 40 DFAB C[C@H](CNC(=O)N[C@H](CO)c1ccccc1)c1ccsc1 74962189 NKIODMMUZSHGMI-IUODEOHRSA-N 304.415 2.884 0 40 DFAB CCN1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1 78926076 ZSXCQAZRHDPLBY-GJZGRUSLSA-N 304.438 2.658 0 40 DFAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](O)(CN)c1ccccc1 72208046 ABCTVXSHTFGKGD-MAUKXSAKSA-N 320.433 2.623 0 40 DFAB CN(CC1CCC1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO1 562575173 XDLRTCBRBRSTJD-LSDHHAIUSA-N 320.437 2.545 0 40 DFAB CCOc1ccc(CNC(=O)COc2ccc(F)cc2)cc1 74987158 ZAEYIUQULJXSCZ-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB COc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2)c1 72227756 SCQVUQWLMTVESB-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CCCCCF)C1=O 225439715 YSISWTCUEKZZKH-LBPRGKRZSA-N 306.337 2.678 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CCC[C@@H](Oc2cccnn2)C1 225453957 PBUPXJLHTROGOD-CYBMUJFWSA-N 322.368 2.642 0 40 DFAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222974878 JEDKEZWBVYNYCZ-AWEZNQCLSA-N 320.433 2.739 0 40 DFAB COc1cccc(OCCNC(=O)CSc2ccccc2)c1 45450518 JTOGONYXSKQVRP-UHFFFAOYSA-N 317.410 2.983 0 40 DFAB Cc1ncsc1NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 570746033 XPPKQKFZXFZAOF-NSHDSACASA-N 319.386 2.678 0 40 DFAB CCc1n[nH]c(NC(=O)CCc2ccccn2)c1Br 96450001 DQEHBZPORMYBQH-UHFFFAOYSA-N 323.194 2.701 0 40 DFAB Cc1nccn1C[C@H](O)COc1ccccc1C(F)(F)F 96501878 ZQLIXRGGGCVBDA-NSHDSACASA-N 300.280 2.650 0 40 DFAB COC1CCC(N(C)S(=O)(=O)c2cccc(F)c2C)CC1 96428043 FWPIQLCARWAONB-UHFFFAOYSA-N 315.410 2.712 0 40 DFAB CC(C)(C)N[C@H]1COC2(CCN(Cc3ccccn3)CC2)C1 96074128 CSJOOBLGTBPQOD-MRXNPFEDSA-N 303.450 2.593 0 40 DFAB O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1 147564399 ADQKDLGWFSVVAN-UHFFFAOYSA-N 306.325 2.557 0 40 DFAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccccn1 96420013 CGEJEYMHMVWVNM-LBPRGKRZSA-N 311.168 2.852 0 40 DFAB CC1(C)[C@@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)[C@@H]2CCO[C@@H]21 96421541 PSSLEQYURXJJIU-UKMLZYKCSA-N 318.392 2.926 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ncc(C)o2)cc1 583615615 PYEDFLIGKQPMER-SJLPKXTDSA-N 316.401 2.864 0 40 DFAB CC(C)(C1=CCCCC1)c1noc(C[C@H]2CCC(=O)NC2)n1 333857234 QSXBXKBXJUONTP-GFCCVEGCSA-N 303.406 2.916 0 40 DFAB CC1CCN(CCNC(=O)NCc2ccc3c(c2)CCC3)CC1 97361324 XPLPKUQZVQQDKR-UHFFFAOYSA-N 315.461 2.706 0 40 DFAB Cc1ccc2[nH]c(C(=O)N[C@@H]3CC[C@@H](C(=O)O)C3)cc2c1C 97231773 JRXLRDMDTXIMCB-VXGBXAGGSA-N 300.358 2.768 0 40 DFAB Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)o1 96215514 YGHZCZOMEFWWTR-KRWDZBQOSA-N 305.422 2.558 0 40 DFAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC[C@H]3C)cc2)C1 245228362 SQEGZYQAQCQUAM-KGLIPLIRSA-N 316.401 2.591 0 40 DFAB C[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C 245289578 CTTDYOACYUWLGC-VHDGCEQUSA-N 318.417 2.962 0 40 DFAB COc1ccccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C 257319239 VRLNPAMQHWUEFL-WMZOPIPTSA-N 302.418 2.784 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@H]2CN)cc1 252515481 KJTHRZUGMDHPDK-GVDBMIGSSA-N 319.401 2.649 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 257248238 JCUBCHSUYIUMFW-CYBMUJFWSA-N 313.376 2.905 0 40 DFAB c1ccc(N2CCCC2)c(CN2CCOC[C@H]2c2ccn[nH]2)c1 257298067 RJYQWCZEULDVCS-SFHVURJKSA-N 312.417 2.583 0 40 DFAB CCn1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1C 257303866 SJCLASKOZCAGJS-GFCCVEGCSA-N 304.419 2.688 0 40 DFAB Nc1cc(CC[C@H]2CN(Cc3ccsc3)CCO2)ccn1 257313231 URMUNDSPRABDNF-HNNXBMFYSA-N 303.431 2.559 0 40 DFAB O=C(CCN1CCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 257228758 FVCQOBLYJHUYNA-INIZCTEOSA-N 324.428 2.569 0 40 DFAB Cc1ccc(OC[C@@]2(O)CCN(Cc3ccc(C)nc3)C2)cc1 585269561 YXBOEWZWIVODIJ-LJQANCHMSA-N 312.413 2.714 0 40 DFAB CCC(CC)N1CCOC[C@](O)(COc2cccc(C)c2)C1 585276357 NAHCVQJIPIBXGU-SFHVURJKSA-N 307.434 2.626 0 40 DFAB Cc1c(O)nc2cc(I)ccc2c1O 685937474 WNWDGBBBMXBKRA-UHFFFAOYSA-N 301.083 2.559 0 40 DFAB CC(C)OC[C@H](O)CN(C)Cc1cc(Br)cs1 70194883 KAJHFTOOLDYOPZ-LLVKDONJSA-N 322.268 2.728 0 40 DFAB C[C@H](OC[C@@H](O)CN1CCN([C@H](C)c2cccnc2)CC1)c1ccc(Cl)cc1 97372462 AMCBJTODPZQOHG-TZMCWYRMSA-N 403.954 3.552 0 40 DFAB COc1ccccc1N1CCN(c2ccnc(C3CC3)n2)CC1 110110742 MKGJMCREWXNXMS-UHFFFAOYSA-N 310.401 2.689 0 40 DFAB CC(C)C(=O)Nc1ccc(CNc2ncnc3[nH]ncc23)cc1 12574174 HLNOYUXOYDKJAB-UHFFFAOYSA-N 310.361 2.560 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 100809462 MIZMSWNSRIUHQS-OKILXGFUSA-N 319.405 2.647 0 40 DFAB COc1cccc(C(=O)OCC(=O)c2ccccc2)c1OC 72812 SLFYMRYWKSTDTQ-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB COc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cn1 18207217 SULQJTLHQOYJBK-UHFFFAOYSA-N 322.311 2.664 0 40 DFAB CC(C)n1c(S)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1889103129 YCWBJCQQFYSPOE-ZDUSSCGKSA-N 316.430 2.664 0 40 DFAB C[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccc(F)c(F)c1 25146998 WVLDYBYVQFQJSK-LLVKDONJSA-N 318.389 2.736 0 40 DFAB CC(=O)Nc1ccccc1Nc1ncncc1-c1nc(C)no1 244950880 FPXPNBZCFOBYSS-UHFFFAOYSA-N 310.317 2.537 0 40 DFAB CCc1ccc2c(C3CN(C(=O)CCc4ccc[nH]4)C3)ncn2c1 1565545424 DQPSJDZPEHUSMT-UHFFFAOYSA-N 322.412 2.783 0 40 DFAB Cn1c(=O)c(C(=O)Nc2ccccc2Cl)cc2cccnc21 5303613 GASXQJZDLVIHQD-UHFFFAOYSA-N 313.744 2.839 0 40 DFAB CNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 45163762 HBYHOIGVWNOISI-CMDGGOBGSA-N 303.793 2.961 0 40 DFAB COc1cc(C(=O)NCc2ccsc2)cc(OC)c1OC 13698067 PDRQFSYKSIAHNR-UHFFFAOYSA-N 307.371 2.704 0 40 DFAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1775975540 JNSLGGYVSLKZBH-GJZGRUSLSA-N 311.385 2.900 0 40 DFAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@@H]3C2=O)cc1 101144792 KYSYCUKZVAXRIT-HOTGVXAUSA-N 320.352 2.747 0 40 DFAB C[C@@H](Cc1csc2ccccc12)NC(=O)N1CCNC1=O 575620411 KIKWOMSJLHTPQW-JTQLQIEISA-N 303.387 2.567 0 40 DFAB Cc1ccc(-c2csc3ncnc(NCCC(N)=O)c23)cc1 76406632 QUXFDLNOWRVWMF-UHFFFAOYSA-N 312.398 2.954 0 40 DFAB CC1CCC(NC(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 40071303 UFPBPWNPVUNGBR-UHFFFAOYSA-N 309.454 2.511 0 40 DFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1C 30323561 BLLCGAPKUDSKGF-GFCCVEGCSA-N 309.387 2.945 0 40 DFAB O=C(CCNc1ncccn1)N1CCC[C@@H]1c1cccs1 40553444 WPGCDLSSRNLMOZ-GFCCVEGCSA-N 302.403 2.704 0 40 DFAB CN(C)c1ccc(CCCNc2cn[nH]c(=O)c2Cl)cc1 40511156 ZKSVDBYMYWLVID-UHFFFAOYSA-N 306.797 2.534 0 40 DFAB CCc1nnsc1C(=O)NCCOc1cccc(Cl)c1 40535130 DRYVHFBDSZSRPI-UHFFFAOYSA-N 311.794 2.563 0 40 DFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc(F)c2)CCC[C@H]1C 102167551 MAHAQRTYZATCSU-XUJVJEKNSA-N 307.365 2.923 0 40 DFAB O=S(=O)(c1ccccc1Cl)N1CCO[C@H]2CCCC[C@@H]21 41195075 OJQJZUOCJQBAHX-STQMWFEESA-N 315.822 2.672 0 40 DFAB CC(C)(C)C(=O)Nc1cccc(N[C@@H]2CCCCNC2=O)c1 32907832 YUTWHMIHLOEMAC-CQSZACIVSA-N 303.406 2.752 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1cnc2ccccc2c1)C1CCCC1 32900712 NIWPWXVAHHJSSV-KRWDZBQOSA-N 311.385 2.868 0 40 DFAB O=C(Nc1ccccc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 22335709 QPMLXFMVMQOTAC-QGZVFWFLSA-N 321.380 2.660 0 40 DFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 982007 NRZDKTXLKURYRQ-MJWAUXSNSA-N 305.355 2.593 0 40 DFAB COc1ccc([C@H]2CCCN2S(=O)(=O)N2CCCCC2)cc1 42674772 FKCQDUMWHDNQDX-MRXNPFEDSA-N 324.446 2.563 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 204939 MJUGCEXGZGAEGK-UHFFFAOYSA-N 323.304 2.832 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O 1006056 JFVFJEFRWCBGGX-UXBLZVDNSA-N 311.384 2.736 0 40 DFAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C(C)C)no2)cc1 47635995 ZCMIREVMOQQLCO-UHFFFAOYSA-N 322.386 2.519 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCC(Nc2cccnn2)CC1 105813552 GYBAINFYDKSUPU-UHFFFAOYSA-N 322.821 2.908 0 40 DFAB O=C(NCc1ccoc1)Nc1nnc(-c2ccccn2)s1 47791346 RVROQXIEAAFZCS-UHFFFAOYSA-N 301.331 2.515 0 40 DFAB CC(C)N(C(=O)CSc1nnnn1C1CCCC1)C(C)C 1238102 SMELSAWJIUMHPL-UHFFFAOYSA-N 311.455 2.526 0 40 DFAB CCOCCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901675 DZSFORWQLDCZKT-JTQLQIEISA-N 319.327 2.561 0 40 DFAB Cc1cc(CN(C)C(=O)N[C@@H]2CCOc3ccccc32)no1 43165272 JQJYRFPIBXBMCI-CQSZACIVSA-N 301.346 2.648 0 40 DFAB OC[C@H]1CCCCN1Cc1cccc(OCC(F)(F)F)c1 79879383 ZGNXFCJEDOIDES-CYBMUJFWSA-N 303.324 2.975 0 40 DFAB O=C(Nc1ncccc1O)c1cnn(-c2cccc(Cl)c2)c1 55286295 JVISQKOGHOLZNO-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C)on3)o2)n1 2767722 RJNHNLRZVMNHSA-UHFFFAOYSA-N 300.318 2.690 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1 6114939 JXRFHTXBWQLSAV-UHFFFAOYSA-N 324.336 2.972 0 40 DFAB O=C(NC[C@H](O)c1ccco1)[C@@H]1CCCC[C@H]1C(F)(F)F 107522973 MYZLBOZEQOELMY-MXWKQRLJSA-N 305.296 2.798 0 40 DFAB C[C@@H](C(=O)Nc1ccn(CC(F)(F)F)n1)N1[C@H](C)CC[C@H]1C 95431067 CZCGGTKTGZMLPJ-MXWKQRLJSA-N 318.343 2.645 0 40 DFAB O=C(NC1CCN(CCc2ccccn2)CC1)c1ccccc1 44892223 NPVIBOSRUMWGLO-UHFFFAOYSA-N 309.413 2.519 0 40 DFAB COc1cccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 44868973 ZZXKOTPFSQPPMY-GOSISDBHSA-N 324.424 2.628 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(C)cc1Br 58282671 SVHUFEWEHBYNFX-SECBINFHSA-N 301.184 2.914 0 40 DFAB CC(C)c1noc([C@@H](C)N2CCN(c3ccccc3O)CC2)n1 27765260 HTKHENYHPTYSEY-CYBMUJFWSA-N 316.405 2.782 0 40 DFAB NC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Cl)o1 44966146 OVTIMUWOKPMWPE-UHFFFAOYSA-N 304.733 2.625 0 40 DFAB Cc1ccccc1C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 58365228 XCFUMRVXTXZGPP-IXDOHACOSA-N 316.445 2.709 0 40 DFAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@@H]1CC=CCC1 58341276 ABEABUPNLOSEHV-HZPDHXFCSA-N 303.402 2.516 0 40 DFAB CONC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 45013887 YPXRMESZCRHBBS-UHFFFAOYSA-N 323.352 2.839 0 40 DFAB COc1ccc([C@@H](O)CNC[C@H]2C[C@H]3C=C[C@H]2C3)cc1OC 104242971 ZUEUKXSAOCIISH-UGQVUOCMSA-N 303.402 2.539 0 40 DFAB Cc1cccc(C(=O)NCc2ccc(Cn3cccn3)cc2)n1 29232091 QKDDBANUNKWEDR-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)NCCc1ccc(Cl)s1 47027392 RHURAKWDNXLABX-SNVBAGLBSA-N 312.826 2.528 0 40 DFAB Cc1cscc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95450459 SKNLNIBVXBJETC-DOMZBBRYSA-N 318.442 2.672 0 40 DFAB O=C(CCc1cccs1)Nc1cccc(N2CCNC2=O)c1 48342997 JNFCNZDAYCIRAF-UHFFFAOYSA-N 315.398 2.849 0 40 DFAB Cc1cc(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)no1 12847900 UIPOXEIJCFMYMK-UHFFFAOYSA-N 318.377 2.704 0 40 DFAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 12813279 OBGFVTLUKQIQJG-NSHDSACASA-N 320.320 2.543 0 40 DFAB COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2OC)cc1 10542546 NWODQCQVLUKCHY-CYBMUJFWSA-N 315.369 2.901 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 10825587 ABZIANDGXRGOOS-UHFFFAOYSA-N 324.336 2.577 0 40 DFAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)NC1CCCC1 3510817 KDGXBJRZVYZQMU-GFCCVEGCSA-N 312.369 2.839 0 40 DFAB CCC1CCC(NC(=O)C(=O)NC[C@H](C)c2ccccc2)CC1 408707253 LUNZPEHLEVQKNT-UQPPLGOBSA-N 316.445 2.991 0 40 DFAB COC(=O)Cc1ccccc1NC(=O)COc1ccccc1F 72309602 RGXFCIHHCIWNOM-UHFFFAOYSA-N 317.316 2.559 0 40 DFAB Cc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 6029821 PFNKJGJVGMDOHJ-SFHVURJKSA-N 316.445 2.502 0 40 DFAB CCCc1cc(Nc2ccc(OC)cc2OC)n2ncnc2n1 64904525 JJJOFOLGYXCQDG-UHFFFAOYSA-N 313.361 2.838 0 40 DFAB COC(=O)C1(NC(=O)Nc2ccc3c4c(cccc24)CC3)CC1 96010531 PPMLLSQFRKWVSI-UHFFFAOYSA-N 310.353 2.766 0 40 DFAB CC(C)[C@@H](C)N(C(=O)c1ccc(NS(C)(=O)=O)cc1)C1CC1 65550512 PQQDHAMXDUWGOD-GFCCVEGCSA-N 324.446 2.707 0 40 DFAB CCN(C[C@@H]1CCOC1)S(=O)(=O)Cc1ccccc1Cl 65611967 NUHBNWCMJBAYFE-LBPRGKRZSA-N 317.838 2.528 0 40 DFAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 9387616 CCGIVVMUVJGTIV-UHFFFAOYSA-N 302.305 2.919 0 40 DFAB Cc1nc(-c2ccccc2)n(CC(=O)NC(C2CC2)C2CC2)n1 66081343 NXSIYQRLBKHBQL-UHFFFAOYSA-N 310.401 2.558 0 40 DFAB O=S1(=O)CC[C@H](NCc2ccc(Sc3ccccc3)o2)C1 19772668 XJPQNKFBICGMAH-LBPRGKRZSA-N 323.439 2.708 0 40 DFAB Cc1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 4704979 JTUZWKCNFUBSQU-UHFFFAOYSA-N 304.434 2.799 0 40 DFAB C[C@@H](OC(=O)C1=COCCO1)C(=O)c1ccc(C(C)(C)C)cc1 6946225 WOWNQBQZZJQEKQ-GFCCVEGCSA-N 318.369 2.987 0 40 DFAB COc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 15470345 GYIXSIVGEZDUMS-SFHVURJKSA-N 310.397 2.805 0 40 DFAB O=C1OCCN1CCCn1c(C(F)(F)F)nc2ccccc21 67653802 AKPYBGHUIXUKLJ-UHFFFAOYSA-N 313.279 2.897 0 40 DFAB CC(=O)N1CCCN(CCCSCc2ccccc2)CC1 90511223 XMSKKFILPZBTCA-UHFFFAOYSA-N 306.475 2.864 0 40 DFAB CC[C@@H](NC(=O)N[C@H](C)Cn1nc(C)cc1C)c1ccncc1 96439309 SXCGRWREAXZJOB-CZUORRHYSA-N 315.421 2.734 0 40 DFAB COC(=O)c1sc(NCc2ccc(OC)c(OC)c2)nc1C 96402778 WNUKEIBNSVOVLJ-UHFFFAOYSA-N 322.386 2.867 0 40 DFAB Cc1cc(=O)c(C(=O)N2CCCCCC2)nn1-c1ccccc1 7754309 BXUPAYXUMPNXNZ-UHFFFAOYSA-N 311.385 2.557 0 40 DFAB COCC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 90819393 NUXAJSTUHDANBE-UHFFFAOYSA-N 300.145 2.764 0 40 DFAB CCN1CCCC[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 71847477 QHLADQIDKVFEGZ-KRWDZBQOSA-N 308.466 2.811 0 40 DFAB C[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)n1cncn1 69456945 IGBIXOVEAXDPAO-XWIASGKRSA-N 324.306 2.530 0 40 DFAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 69533813 SUOCHBDXGDMDIT-ULQDDVLXSA-N 311.381 2.649 0 40 DFAB CO[C@@H](C)C(=O)Nc1cc(-c2ccccc2Br)n[nH]1 71829941 XVZOQYPMAYHRLI-QMMMGPOBSA-N 324.178 2.813 0 40 DFAB Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1F 17860621 MWNSMKGFAPQMMJ-UHFFFAOYSA-N 301.317 2.835 0 40 DFAB COc1ccccc1Oc1ccc(CNS(C)(=O)=O)cc1 69738861 WMMXNSGXQPAGFG-UHFFFAOYSA-N 307.371 2.537 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 69921134 BGNSCSAKTSJRNU-BRWVUGGUSA-N 324.428 2.808 0 40 DFAB COc1ccc(COC(=O)c2ncccc2C(F)(F)F)cn1 92439665 GVQSSIKHQLIEMD-UHFFFAOYSA-N 312.247 2.861 0 40 DFAB COc1ccc([C@@H]2CCN(Cc3cc(C(N)=O)cs3)C2)cc1 92783604 VTZYMGHVMQTTDU-CYBMUJFWSA-N 316.426 2.845 0 40 DFAB Cc1noc(C)c1CN1CCC[C@H](c2noc(C3CC3)n2)C1 95402228 TUQQGPWWIPZGPM-ZDUSSCGKSA-N 302.378 2.931 0 40 DFAB Cc1oc(-c2cccs2)nc1COC(=O)c1ccnnc1 95444009 VIGBTWMJWIUENJ-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB CC[C@@](C)(CC(=O)O)NC(=O)c1ccccc1Br 97018200 JGMGOCSWMUWYIL-ZDUSSCGKSA-N 314.179 2.822 0 40 DFAB CCCn1nc(C)c(CN[C@@H]2CCN(c3ccccn3)C2)c1C 97036894 BLAIRUWQUSIIFV-MRXNPFEDSA-N 313.449 2.673 0 40 DFAB Cc1cc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)on1 72292415 RFMAKQZOLPGHEK-LBPRGKRZSA-N 319.336 2.965 0 40 DFAB COc1cc(Br)ccc1CCCN[C@H]1CCOC1 97106953 QJRZIMIGVNLZSG-ZDUSSCGKSA-N 314.223 2.769 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)c2ccccc21 97114406 PGHMPRQJGSVNSC-GFCCVEGCSA-N 305.403 2.513 0 40 DFAB CCNc1ncc(C(=O)NCCCCc2nccs2)s1 95972019 ICUUMEPKLIMZDQ-UHFFFAOYSA-N 310.448 2.784 0 40 DFAB COCCOCC(=O)N1CCCCC[C@@H]1Cc1cccs1 89414760 VTSDMRUXUBGADQ-CQSZACIVSA-N 311.447 2.725 0 40 DFAB COCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)n1 75107804 FHWGGHUAAKAVQI-UHFFFAOYSA-N 320.780 2.811 0 40 DFAB O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCc2[nH]ncc2C1 89858207 UPHHXKRIKQEDNU-LPHOPBHVSA-N 307.397 2.589 0 40 DFAB COc1cccc(CCCNC(=O)N[C@H](C)C2CCOCC2)c1 89894385 SITLGFGTXQEXLJ-CQSZACIVSA-N 320.433 2.742 0 40 DFAB O=C(O)c1ccc(O)c(NC(=S)NCc2ccccc2)c1 408586812 RHFTYZJSXRGQFN-UHFFFAOYSA-N 302.355 2.577 0 40 DFAB Cc1ccnc(NC[C@@H]2CCN(Cc3nnsc3Cl)C2)c1 65446822 JKQYMQYXSHSLIT-NSHDSACASA-N 323.853 2.829 0 40 DFAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ccncc1 76651388 FNUIQDSNFNCWAL-KRWDZBQOSA-N 323.440 2.747 0 40 DFAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 72388501 CCXOQTRGLOZFKX-IBGZPJMESA-N 324.428 2.907 0 40 DFAB CCN1CCN(Cc2c(C(C)(C)C)[nH]c3ncccc23)CC1 72393631 ZXYVNDONWNVCIC-UHFFFAOYSA-N 300.450 2.998 0 40 DFAB COCc1csc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)n[nH]2)n1 192273630 QXDZJQWTCTUOCQ-CBAPKCEASA-N 307.379 2.780 0 40 DFAB Cc1ccc(CCNC(=O)CCc2ccc3c(c2)OCO3)o1 223241000 KMSLGFQXWLMINT-UHFFFAOYSA-N 301.342 2.608 0 40 DFAB O=C(NCc1ccncc1)c1snnc1-c1cccs1 225787501 CADRXHTUEWTVSZ-UHFFFAOYSA-N 302.384 2.592 0 40 DFAB CCC[C@H](NC(=O)CCNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 40088822 AYYJBKPKYJHVRU-BPUTZDHNSA-N 302.418 2.806 0 40 DFAB Cc1nnsc1C(=O)NC(C)(C)COCc1ccccc1 225597776 XGSGILNPSOWRNQ-UHFFFAOYSA-N 305.403 2.572 0 40 DFAB O=C(NC[C@@H](O)COCC1CC1)Nc1cccc2ccccc12 63991047 GABXIFXWSGDELN-OAHLLOKOSA-N 314.385 2.749 0 40 DFAB O=C(CCc1ccco1)NCCc1nc2ccc(F)cc2[nH]1 80939990 MTYZUZSJVJZFOI-UHFFFAOYSA-N 301.321 2.587 0 40 DFAB Cc1nc(C(=O)N2CCS/C2=C/c2csc(C)n2)co1 225259039 NEPMDWOYPGDYPO-LFYBBSHMSA-N 307.400 2.936 0 40 DFAB Cc1ccc(N(C)CCNC(=S)Nc2cccnc2)cc1 225796979 QNEGKUHJGOPLNV-UHFFFAOYSA-N 300.431 2.813 0 40 DFAB COc1ccc(-c2nnc(NCc3cccn3C)o2)cc1OC 195562464 NMLUYNZKZIBQTH-UHFFFAOYSA-N 314.345 2.704 0 40 DFAB CS(=O)(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 96500108 QWGOQLMAAGULIR-QMMMGPOBSA-N 321.242 2.858 0 40 DFAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccccc1F)C2 96229795 QWRWLAGWROVBII-GOSISDBHSA-N 318.392 2.833 0 40 DFAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cnccn1 96412191 HUGNKRSEKOSQBN-HZMBPMFUSA-N 305.765 2.636 0 40 DFAB O=C(O)CC1(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 583569534 CWISCJDFZRXXNW-CQSZACIVSA-N 317.385 2.850 0 40 DFAB Cc1cc(NC(=O)NCc2nccn2C)ccc1OC(C)C 96435271 PHGABAWWXMGWRC-UHFFFAOYSA-N 302.378 2.837 0 40 DFAB Cc1cc(CNC(=O)N[C@H](C)Cc2c(C)noc2C)c(C)o1 96415527 IVOHFVCLHRFJBK-SECBINFHSA-N 305.378 2.932 0 40 DFAB CCn1nc(C)cc1C(=O)N1C[C@H](C)Oc2cc(F)ccc21 96425522 IJXZZJJTIXJONO-NSHDSACASA-N 303.337 2.778 0 40 DFAB CO[C@@H](CNC(=O)NCc1cc(C)on1)c1ccc(Cl)cc1 96439464 QKHFOHIHLPRRDT-AWEZNQCLSA-N 323.780 2.823 0 40 DFAB CN(C)c1ncccc1CNC(=O)N1CCC[C@@H]2CCC[C@H]21 96439075 YBRUSJQLYVBDHO-DZGCQCFKSA-N 302.422 2.622 0 40 DFAB 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O=C(/C=C/c1ccco1)NC[C@](O)(c1ccoc1)c1ccco1 390826105 BUCWYMQPEKEAMK-RTRPANQVSA-N 313.309 2.531 0 40 DFAB CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccco2)cc1)C(=O)O 390833971 PPUGYZNCJIOZMZ-LBPRGKRZSA-N 323.370 2.734 0 40 DFAB O=C(CN1C[C@H]2CCC[C@H]2C1)Nc1nc2ccccc2s1 152701014 GVGGJUPVHQACLB-TXEJJXNPSA-N 301.415 2.967 0 40 DFAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099918 YLGVSKUURZKPKX-LZLYRXPVSA-N 308.466 2.811 0 40 DFAB C[C@H](O)C1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 72288820 OXYMYNPBLJAUBN-AWEZNQCLSA-N 319.445 2.982 0 40 DFAB CN(C)c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cn1 44951619 GAPFTWUSMRANJI-HNNXBMFYSA-N 311.389 2.912 0 40 DFAB C[C@H](c1cccs1)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 245316871 KZVGNUFCXSOTED-ZJUUUORDSA-N 306.353 2.904 0 40 DFAB COCCOc1ccccc1CNC(=O)N1CCCC[C@H]1C 52585099 RHVPEJLOXXANHL-CQSZACIVSA-N 306.406 2.796 0 40 DFAB C[C@@H](CCc1cccn1C)NC(=O)NCc1ccc(O)c(F)c1 74375082 HTWASUOWTVXYRW-LBPRGKRZSA-N 319.380 2.690 0 40 DFAB O=C(C1CCOCC1)N(Cc1ccccc1)CC1(O)CCCC1 89832537 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Cc1cc([C@H]2CCCN2C(=O)CN2CCc3ccccc32)on1 51183699 DMFFFIAVGLCYPH-MRXNPFEDSA-N 311.385 2.709 0 40 DFAB O=C(c1ccccc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 196565 KAARXCCVXPKKKQ-FZMZJTMJSA-N 312.291 2.940 0 40 DFAB Cc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCCC1 40528334 YEGGVUQREDSAOF-AWEZNQCLSA-N 323.458 2.747 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)o1 40510463 FEANSJBVISBWQE-CYBMUJFWSA-N 314.389 2.883 0 40 DFAB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 205336 OHVLCHDISHRBAZ-UHFFFAOYSA-N 317.410 2.832 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2)C[C@@H](C)O1 32921044 UHSDXSFWFXNHON-NUPWCOBBSA-N 316.445 2.704 0 40 DFAB COc1cccc([C@@H](O)[C@H]2OC(=O)c3ccccc32)c1OC 481110 DPHMEZJUJBULLJ-ZBFHGGJFSA-N 300.310 2.649 0 40 DFAB CCc1c(C(=O)N2CCO[C@@H](C)C2)cnn1-c1ccc(C)cc1 23110753 QYLORQDSVNBKSZ-AWEZNQCLSA-N 313.401 2.604 0 40 DFAB NC(=O)Nc1cccc(C(=O)Nc2cccc3cccnc23)c1 23797056 KVBUHYVNWSEDPV-UHFFFAOYSA-N 306.325 2.978 0 40 DFAB COC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 490427 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40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C1 43993055 MAJWKPAEKFHCNF-CHWSQXEVSA-N 303.406 2.898 0 40 DFAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccnc1Cl 108345656 FLDCOYSPQGLMDB-USWWRNFRSA-N 308.765 2.593 0 40 DFAB Fc1ccc(Br)c2c1CN(Cc1ncc[nH]1)CC2 97112786 JPECFBKRHVDVQK-UHFFFAOYSA-N 310.170 2.870 0 40 DFAB CCCN1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1 58263844 RAZNOARCOMDRKM-MRXNPFEDSA-N 304.459 2.694 0 40 DFAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccncc1 58209493 ODTSSDXEULDHHO-CYBMUJFWSA-N 315.804 2.991 0 40 DFAB CCCCN(Cc1ccccc1F)C(=O)c1ccc(=O)[nH]c1 55035962 JSGRJSKJQSNXHU-UHFFFAOYSA-N 302.349 2.957 0 40 DFAB Cc1cc(C)nc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)c1 97143039 TZBHGRVRHUQYTA-HNNXBMFYSA-N 312.373 2.779 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 12504619 USQRXJNEDRBRPG-BETUJISGSA-N 305.374 2.676 0 40 DFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2ncccc2c1 58328921 NPISZLRQRKUSSU-LLVKDONJSA-N 309.325 2.585 0 40 DFAB COc1ccc([C@H](NCC(=O)N(C)C)c2ccc(C)cc2)cc1 58306034 HJRHCEXDRBJNSF-LJQANCHMSA-N 312.413 2.771 0 40 DFAB OCCOCCNCc1ccccc1OCc1ccc(F)cc1 10435665 FQIXHOLRCOAPDF-UHFFFAOYSA-N 319.376 2.503 0 40 DFAB COCCN(CCOC)c1nc(C(F)F)nc2ccccc12 58429227 KJWGELJHHXMEHN-UHFFFAOYSA-N 311.332 2.667 0 40 DFAB CC[C@@H](CNC(=O)N1CCC[C@H](CO)C1)Oc1cccc(C)c1 84733620 CFBMPDDAXJABMQ-HOTGVXAUSA-N 320.433 2.566 0 40 DFAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNC[C@@H]1CCCO1 28297080 ZDGVZHQOOXTXFJ-IRXDYDNUSA-N 316.445 2.696 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(N(C)C)c1 10737225 TZCIOJQZGXMLIN-UHFFFAOYSA-N 322.412 2.841 0 40 DFAB Cn1c(CCNC(=O)NC2CC=CC2)nc2cc(Cl)ccc21 95414006 RKCOQSLGSDBVKP-UHFFFAOYSA-N 318.808 2.787 0 40 DFAB CCOC(=O)c1ccc(NCc2ccc3c(c2)OCCO3)nc1 29368574 OJNLEXXSRITEQH-UHFFFAOYSA-N 314.341 2.642 0 40 DFAB COc1ccc(-c2c(N)n(-c3ccccc3)nc(C)c2=O)cc1 11692030 YDJPNCAXJSVQCO-UHFFFAOYSA-N 307.353 2.799 0 40 DFAB Cc1noc(C)c1CNS(=O)(=O)c1ccc(F)c(Cl)c1 60066266 HLXCQTKTNJLOHG-UHFFFAOYSA-N 318.757 2.562 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)Cn1ccc2c(Cl)cccc21 95474576 UNSPSQSDHHFCPJ-CYBMUJFWSA-N 319.836 2.895 0 40 DFAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 20732167 SIWWPBAPGIXOCA-RHSMWYFYSA-N 309.369 2.548 0 40 DFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100510383 BUWAXWHRGPFRET-VGWMRTNUSA-N 309.365 2.787 0 40 DFAB O=C(N[C@@H](N1CCCC1)C(Cl)(Cl)Cl)c1ccco1 19315629 XZONXRIQLRYQTR-JTQLQIEISA-N 311.596 2.802 0 40 DFAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 3564315 YVUAFFYELGCCPT-VIFPVBQESA-N 323.736 2.524 0 40 DFAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc(F)cc1 13464555 SACNXCHSNCAIKG-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCOc1ccc([C@@H]2NC(=O)c3cccnc3N2)cc1OCC 65608308 CIRJOCVJOPQZMM-HNNXBMFYSA-N 313.357 2.733 0 40 DFAB CC(C)c1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 14189785 HQFCDAGIRVXBSU-UHFFFAOYSA-N 319.386 2.962 0 40 DFAB O=C(Nn1cn[nH]c1=S)c1ccc(-c2ccc(F)cc2)o1 14166355 PQJGKZLLOANCAT-UHFFFAOYSA-N 304.306 2.724 0 40 DFAB COc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cn1 6652981 UGBMUCROTPCDKM-UHFFFAOYSA-N 316.357 2.679 0 40 DFAB Cn1ccc(NC(=O)COc2cc(Cl)ccc2Cl)n1 9388981 HLMNTVALGSBTIK-UHFFFAOYSA-N 300.145 2.744 0 40 DFAB CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 4705197 NVOUITDGHNRCPU-SWLSCSKDSA-N 304.390 2.719 0 40 DFAB Cc1ccc(C(=O)Nc2ccn(C)n2)cc1NC(=O)c1ccco1 14899591 POOYJOSGHMLVJW-UHFFFAOYSA-N 324.340 2.826 0 40 DFAB O=S1(=O)N=C(NCCc2ccc(Cl)cc2)c2ccccc21 9448021 VPQIDUPHHPCZTN-UHFFFAOYSA-N 320.801 2.621 0 40 DFAB Cc1cc(CNC(=O)N2CCSC3(CCCCC3)C2)no1 80100918 FDFPXYKOSUHCER-UHFFFAOYSA-N 309.435 2.944 0 40 DFAB C[C@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)Cc1ccon1 80276366 WHUWXSLOPMXXKY-ZUZCIYMTSA-N 324.377 2.557 0 40 DFAB COc1cc(CNn2cnnc2)ccc1OCc1ccccc1 7601734 OSZLGYPYIFUJBI-UHFFFAOYSA-N 310.357 2.609 0 40 DFAB O=C(Cn1ccnn1)Nc1ccccc1NCC1CCCCC1 97083341 YUNIKPGQAKFPBW-UHFFFAOYSA-N 313.405 2.909 0 40 DFAB NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 71890978 IUKFZOGBBMBGKB-KRWDZBQOSA-N 319.364 2.638 0 40 DFAB CCOCc1ccccc1CNC(=O)N1CCCSCC1 71804997 SPYWLMBBTHOLBT-UHFFFAOYSA-N 308.447 2.872 0 40 DFAB O=c1[nH]c(NCCCO)nc2scc(-c3ccc(F)cc3)c12 69191497 HMKSGUBCNCUZNC-UHFFFAOYSA-N 319.361 2.585 0 40 DFAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(c2ccc(F)cc2)CC1 71834948 GCNUUTWEKFXWQW-HOTGVXAUSA-N 314.360 2.871 0 40 DFAB O=C(CCOc1ccccc1)N1CCCC[C@@H]1Cn1cccn1 71864972 INENQBCZSCIXAG-MRXNPFEDSA-N 313.401 2.733 0 40 DFAB C[C@H](Cn1cccn1)NCc1nc(-c2cccc(Cl)c2)no1 69370502 MEIAGHTUUZCGEJ-LLVKDONJSA-N 317.780 2.765 0 40 DFAB O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1c1cccc(F)c1 69486991 CQWITMUKJHUFBH-HNNXBMFYSA-N 324.352 2.886 0 40 DFAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)n3ccnc3)co2)cc1 69442709 BHEFYLRJILHIFK-AWEZNQCLSA-N 324.384 2.766 0 40 DFAB CCC(=O)NCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 69421102 CMMNXQZGSRKXBB-SECBINFHSA-N 317.216 2.739 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cnc2ccccc2n1 8745658 NZEIXIYLLPFNHH-UHFFFAOYSA-N 307.309 2.669 0 40 DFAB C[C@@H](N)C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 97229016 FILSJWNGEYMDOH-MRVPVSSYSA-N 316.311 2.794 0 40 DFAB CCc1cccc(NC(=O)N2CCOC[C@H]2c2noc(C)n2)c1 95999073 NHMHBSRJODHBJQ-AWEZNQCLSA-N 316.361 2.546 0 40 DFAB O=C(C1CC=CC1)N1CCc2c(ncn2CCc2ccccc2)C1 95983095 BPAMAGSDGHIHMH-UHFFFAOYSA-N 321.424 2.977 0 40 DFAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 89442167 RIZJLKZSKWWPJW-OAHLLOKOSA-N 313.401 2.757 0 40 DFAB Clc1ccccc1[C@@H](CNCc1cc[nH]c1)N1CCOCC1 86249848 BGTYRZMMDADSOV-QGZVFWFLSA-N 319.836 2.831 0 40 DFAB Cc1cccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1Cl 89688786 IBTKOOXOPSZDDJ-YPMHNXCESA-N 321.808 2.923 0 40 DFAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1 76066738 XBQSVJHXDLQTNC-UHFFFAOYSA-N 306.793 2.907 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)n[nH]1 76060069 MWXILISFVHFSBI-GJZGRUSLSA-N 300.406 2.877 0 40 DFAB COc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1 20141647 DPJSMWXNQQBPGK-UHFFFAOYSA-N 301.298 2.660 0 40 DFAB CC(C)(CCc1ccccc1)NC(=O)c1cnn2c1OCCC2 555785475 FECBDKMDUZFUJB-UHFFFAOYSA-N 313.401 2.807 0 40 DFAB C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1N1CCOCC1 518887655 MPFRHCVJKQEBIF-CYBMUJFWSA-N 306.381 2.677 0 40 DFAB Cc1nccnc1OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72202960 PNIIUKGJFNWYCR-CYBMUJFWSA-N 307.394 2.811 0 40 DFAB COCCCn1ccc(NC(=O)NCCC2=CCCCC2)n1 77513735 ZKKFWSFGJNTOLQ-UHFFFAOYSA-N 306.410 2.932 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)c2ccc(Cl)cc2Cl)C1 62912647 BKFNKTHKXDRSQC-ZDUSSCGKSA-N 302.157 2.930 0 40 DFAB CN(CC1(c2ccccc2)CC1)C(=O)N[C@H]1CCCOCC1 186574648 BABDAUXMZNTLQS-INIZCTEOSA-N 302.418 2.929 0 40 DFAB CC[C@@]1(C)CN(C(=O)N[C@H](COC)c2ccccc2)CCO1 188248530 LESJFMWTMANKHN-WBVHZDCISA-N 306.406 2.585 0 40 DFAB O=C(CCn1ncc2c(Cl)cccc21)NCc1ccccn1 40759592 OOQMWZVBGWDGGP-UHFFFAOYSA-N 314.776 2.791 0 40 DFAB CC(C)(C)SCCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 225785968 YWXBUGZNOOTUML-HIFRSBDPSA-N 310.507 2.993 0 40 DFAB C[C@H](CO)N(C)C(=O)Nc1ccc(Br)c(Cl)c1 195553646 DPAIHSKYDUNYMW-SSDOTTSWSA-N 321.602 2.947 0 40 DFAB Cc1ccc(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224140705 RGDFBYGLFGZLFT-UHFFFAOYSA-N 314.393 2.561 0 40 DFAB COc1ccc(-c2noc(CCCC(=O)N3CCCC3)n2)cc1 41156112 AEJQPQMJBVQMHU-UHFFFAOYSA-N 315.373 2.690 0 40 DFAB COc1ccccc1CNC(=O)c1csc(NC(C)C)n1 40284260 IQORWODMUWNCNL-UHFFFAOYSA-N 305.403 2.902 0 40 DFAB CS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(Cl)cc1 96519621 ZNRYIEODYLNOBL-QMMMGPOBSA-N 303.594 2.549 0 40 DFAB CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](CC2(F)F)N1C(=O)OC(C)(C)C 91302950 ITEAXDCAQXHQHV-DCAQKATOSA-N 319.348 2.973 0 40 DFAB CN(c1ccccc1C(=O)NC1CCCCCC1)S(C)(=O)=O 141634488 ONWXHHMNKLEWOE-UHFFFAOYSA-N 324.446 2.535 0 40 DFAB CN1C(=O)C[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 96181142 REPZYLPHNDMQMH-SWLSCSKDSA-N 306.431 2.716 0 40 DFAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccsc1 96201248 RAKNZWKCJKBUMK-CYBMUJFWSA-N 313.430 2.766 0 40 DFAB C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1OC(F)F 95422870 WSPARZABNNNRBI-KOLCDFICSA-N 316.323 2.699 0 40 DFAB CCN(CC)c1ccc2ccc(C(=O)NCCCOC)cn12 96037218 IJWSJJMFHBJXJA-UHFFFAOYSA-N 303.406 2.552 0 40 DFAB O=C(NC[C@H]1Cc2ccccc21)c1ccccc1SCCO 96444611 YFVRXLBYTXRQIY-CQSZACIVSA-N 313.422 2.841 0 40 DFAB C[C@H](NC(=O)[C@@H]1COCCN1)c1ccc(-c2ccccc2)cc1 97228935 LYXIHSYTHXUIAB-KSSFIOAISA-N 310.397 2.519 0 40 DFAB CC(C)OCc1nn(C)c2c1CCN(Cc1ccsc1)C2 96084993 XJJFAIOJGAVFMK-UHFFFAOYSA-N 305.447 2.965 0 40 DFAB C[C@H]1C[C@H](NC(=O)NCCc2ccc(F)c(F)c2)C[C@@H](C)O1 248711309 QEMBYUQGHUMDPE-PTEHBNRSSA-N 312.360 2.763 0 40 DFAB COC(C)(C)C(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257281918 ORLVESDXLXYTRY-IMJJTQAJSA-N 303.402 2.727 0 40 DFAB O=S(=O)(c1cccs1)N1CCC(Cc2ccncc2)CC1 257297300 RGRUWGXIHSVOAB-UHFFFAOYSA-N 322.455 2.787 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 257318592 VOPOUGXNJMPTGR-GFCCVEGCSA-N 315.421 2.759 0 40 DFAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 257257298 KOYICQJITTWURQ-KRWDZBQOSA-N 322.412 2.833 0 40 DFAB Cc1ncc(C(=O)N2CCC(Cc3ccncc3)CC2)c(C)n1 257311211 UIKNMZMQILNNMI-UHFFFAOYSA-N 310.401 2.583 0 40 DFAB CCN1CCC2(CCN(C(=O)c3ccccc3)CC2)CC1=O 585102537 LKQKJTYCWNWEOI-UHFFFAOYSA-N 300.402 2.551 0 40 DFAB Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)NC2CCCC2)c1 71858814 WYELNZQMPMSZRG-QKKBWIMNSA-N 307.459 2.999 0 40 DFAB O=C1N[C@@]2(Nc3c1sc1ccccc31)C(=O)Nc1ccccc12 78764392 QNKUMGUEVMIBRM-QGZVFWFLSA-N 321.361 2.862 0 40 DFAB CCN(CCC(=O)O)C(=O)c1cccc(Br)c1C 88440259 AQMAHNZVKLNSEA-UHFFFAOYSA-N 314.179 2.694 0 40 DFAB Cc1cc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)ncn1 585359354 GYRIZDKHZLECIY-LLVKDONJSA-N 305.765 2.522 0 40 DFAB CCc1ccc(C(=O)NCCc2nnc(SC)n2CC)cc1 5001781 DGIAJVBINKNPMF-UHFFFAOYSA-N 318.446 2.555 0 40 DFAB Cc1ncc2c(n1)[C@@H]1CN(C(=O)Cc3cccs3)C[C@@H]1CC2 12337058 XWKXRLAAJUMPAK-DZGCQCFKSA-N 313.426 2.577 0 40 DFAB CC(C)(C(=O)Nc1nc2c(s1)CCCCCC2)n1cncn1 19080952 DTOAUDUNDAVSBB-UHFFFAOYSA-N 319.434 2.767 0 40 DFAB Cc1ncc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)s1 19713426 WMJHTGLFULCKHP-GDBMZVCRSA-N 307.463 2.817 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccco1 3388119 HCPABEJAFDDETH-CMDGGOBGSA-N 313.309 2.677 0 40 DFAB O[C@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccc(F)cc1 643914649 UWPQKUWBFAPKAF-CJNGLKHVSA-N 306.406 2.708 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@H]1CC=CCC1 252539513 ODYFDKVRNYDTIG-QEJZJMRPSA-N 319.380 2.778 0 40 DFAB FC(F)(F)c1cccnc1N[C@@H]1CCN(C2CCOCC2)C1 1889057354 UXNWYYFGSAGUCF-LLVKDONJSA-N 315.339 2.766 0 40 DFAB CCc1ccccc1NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 51994141 TWIZURKTXSFUKO-DLBZAZTESA-N 302.418 2.831 0 40 DFAB CCCCCN[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 4280015 DHUHCRVWGHMJMB-CYBMUJFWSA-N 312.797 2.902 0 40 DFAB Cc1ccc(NCCNC(=O)c2ccccc2C(F)(F)F)nn1 38488260 NAFMBEOIKZNITA-UHFFFAOYSA-N 324.306 2.646 0 40 DFAB NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 132301 NMMDTZBPDWWFJH-UHFFFAOYSA-N 301.396 2.936 0 40 DFAB O=C(NCC1CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 40074155 ACZCNNMCHJEOKC-HNNXBMFYSA-N 300.402 2.736 0 40 DFAB Cc1cnc(C(=O)NCCOc2ccc3ccccc3c2)cn1 30447199 UKIUIDNPKRFCOH-UHFFFAOYSA-N 307.353 2.747 0 40 DFAB Cc1c(C(=O)N(C)[C@@H](C)CC(C)C)sc2ncn(C)c(=O)c12 31410472 WBQWXYKJNXOBSO-JTQLQIEISA-N 321.446 2.810 0 40 DFAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)cc(OC)c1OC 20551462 TXKGOBFHQRARRR-NSHDSACASA-N 316.357 2.598 0 40 DFAB Cc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)c(F)c2)c1 32866073 GMACIXXTUBOUBG-UHFFFAOYSA-N 316.332 2.559 0 40 DFAB COc1cc(Cl)ccc1C(=O)Nc1ccc(C(N)=O)c(F)c1 102627279 KXJKMESVLJEYJP-UHFFFAOYSA-N 322.723 2.839 0 40 DFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Cl)s1 102636724 KXQRQBAFSDOKNR-DTORHVGOSA-N 311.790 2.759 0 40 DFAB COc1ccc([C@H](CNC[C@H](O)c2ccccc2)N(C)C)cc1 22029454 LFUAQHYZPOUABM-OALUTQOASA-N 314.429 2.621 0 40 DFAB CC1(C)CC(=O)c2cnc(NC(=O)c3cccs3)nc2C1 542438 DPJXQSMVGCRVDG-UHFFFAOYSA-N 301.371 2.946 0 40 DFAB O=C(Cc1nc2ccccc2c(=O)[nH]1)c1c[nH]c2ccccc12 53845806 FBRAHFILCLGWHE-UHFFFAOYSA-N 303.321 2.830 0 40 DFAB CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3cccnc3)C2)cc1 23190965 YAMKUGIPBJFLKJ-SFHVURJKSA-N 322.368 2.738 0 40 DFAB COc1ccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 104749488 MXHDYRYUAYACKY-FPMFFAJLSA-N 320.458 2.857 0 40 DFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H]1CCCO1 54455855 CZTSGRGCVIIVKW-LLVKDONJSA-N 324.446 2.950 0 40 DFAB COc1ccccc1CN(C)Cc1cc(=O)n2cc(C)ccc2n1 23815522 GFNJBPNMNZBQDJ-UHFFFAOYSA-N 323.396 2.644 0 40 DFAB CCOc1ccc(-c2cc(C)n3nc(C(=O)OC)cc3n2)cc1 226829 NIHNVRIDQNKSMU-UHFFFAOYSA-N 311.341 2.890 0 40 DFAB Cc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)s1 23917544 XGPMDJFOTPALCS-UHFFFAOYSA-N 324.427 2.573 0 40 DFAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C1(c2ccccc2F)CC1 78160984 XRQNHHNDYXBHPH-DFBGVHRSSA-N 303.377 2.787 0 40 DFAB Cc1cc(-c2noc([C@@H](C)N3CCO[C@H](C)C3)n2)ccc1F 78436234 CBHCCGZMHUZVKQ-VXGBXAGGSA-N 305.353 2.966 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@@](C)(O)c1ccsc1 78972952 XPHQXBVRHYTHIT-QGZVFWFLSA-N 318.442 2.801 0 40 DFAB Cc1ccn(C)c(=O)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1 79055771 GYMPKYQWIWLMNM-NSHDSACASA-N 320.776 2.753 0 40 DFAB CCCS(=O)(=O)CC(=O)N1CC2(CCCC2)c2ccccc21 79048962 NEHRQTNVDDTMCE-UHFFFAOYSA-N 321.442 2.670 0 40 DFAB CNC(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C 1392990 QWOZOSSCUJTOQL-LLVKDONJSA-N 316.323 2.596 0 40 DFAB O=C(C1=COCC1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95434197 NKLRMPRMVVEUFV-LSDHHAIUSA-N 305.374 2.779 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 106925115 XVBRMLQZCYQQIH-GXTWGEPZSA-N 310.825 2.708 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)N1CCO[C@H]2CCCC[C@H]21 107360285 PRFKULIDNZWQDM-MJBXVCDLSA-N 306.431 2.732 0 40 DFAB COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C(N)=O)C1 95430320 CSUGPWUXBQNSNC-VIFPVBQESA-N 317.216 2.699 0 40 DFAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(C)C[C@@H]1C 89562837 YEFUZEAZTOFSDY-JTQLQIEISA-N 321.471 2.956 0 40 DFAB O=C(c1ccc(N2CCc3ccccc3C2)cc1)N1CCOCC1 58228239 CRNWBPGFFDIRBD-UHFFFAOYSA-N 322.408 2.722 0 40 DFAB O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)nc1 10410110 SSFHLOWESKEPFO-UHFFFAOYSA-N 316.336 2.701 0 40 DFAB O=C(NCCO)c1cc2occc2n1Cc1ccc(Cl)cc1 36365529 UJYKVNBOYVAGLL-UHFFFAOYSA-N 318.760 2.658 0 40 DFAB Cc1nc(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)no1 89718379 OGTTZNOLBGHRNN-PSLIRLAXSA-N 318.352 2.640 0 40 DFAB COCCn1cc(NC(=O)Cc2ccc3ccccc3c2)cn1 36398008 MKVAILGZKJQKPP-UHFFFAOYSA-N 309.369 2.864 0 40 DFAB C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1 2431365 UGVZRJAXSSTPQV-BBRMVZONSA-N 312.369 2.743 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)cn1 46345673 JCVBHZFASVGQEF-HNNXBMFYSA-N 318.446 2.554 0 40 DFAB CCC[C@@H](NC(=O)C(C)C)C(=O)N1CCc2sccc2C1 60373209 KBYAATOGXJRKFG-CYBMUJFWSA-N 308.447 2.574 0 40 DFAB CCc1noc(CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2)n1 60370063 CBWPCGUBIIRGKL-SNVBAGLBSA-N 322.796 2.744 0 40 DFAB COc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1 21524047 VQBSLHZQSUPHDI-UHFFFAOYSA-N 313.313 2.910 0 40 DFAB Cc1cc(NC(=O)c2ccn(COc3ccccc3F)n2)no1 2786525 KBMMWWOLOGGJPW-UHFFFAOYSA-N 316.292 2.607 0 40 DFAB COCc1c(C(=O)N2CCN(C)C[C@@H]2C)sc2ccccc12 89938270 LGVSOHKZFHZTIU-LBPRGKRZSA-N 318.442 2.824 0 40 DFAB CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)C[C@@H]1N(C)C 89948357 XFUOCBVHTYHRCP-PILAGYSTSA-N 316.445 2.597 0 40 DFAB Cc1csc(CNC(=O)c2ccc(-n3nccc3C)cc2)n1 48314265 XSMUTFKWKUZWMQ-UHFFFAOYSA-N 312.398 2.876 0 40 DFAB C[C@@H](C[S@@](C)=O)NC(=O)Nc1cnc(-c2ccccc2)s1 96010613 GSLLQRGQZSDJQI-CWKPULSASA-N 323.443 2.699 0 40 DFAB COC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 6247929 USFLSMCJEMOHKP-UHFFFAOYSA-N 311.388 2.555 0 40 DFAB O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)[C@@H]1CCCO1 65554798 QUXLUUDCAWSECN-HNNXBMFYSA-N 316.332 2.808 0 40 DFAB CCONC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 14198031 YAJAJUBOCURILG-UHFFFAOYSA-N 320.345 2.560 0 40 DFAB C/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)OCCCC)cc1 5462940 BOQMZSIFSDRGEX-GQCTYLIASA-N 319.357 2.701 0 40 DFAB Cc1cc(=O)n2nc(C(c3ccccc3)c3ccccc3)nc2[nH]1 4732939 CUKHUWBNMPOICW-UHFFFAOYSA-N 316.364 2.906 0 40 DFAB c1cncc(OC2CCN(CCn3ncc4ccccc43)CC2)c1 20325911 PCADZVVOIZKDOQ-UHFFFAOYSA-N 322.412 2.975 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)c2ccccc21 71818161 WPYLSHWBHAHPDJ-NSHDSACASA-N 317.366 2.697 0 40 DFAB COCC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 71883404 XGQYCQKBNCPBTF-GFCCVEGCSA-N 322.163 2.679 0 40 DFAB CC[C@H](Nc1cccc(OC)c1)C(=O)Nc1nnc(C)s1 7467858 VYTKFNBNRKVXRF-LBPRGKRZSA-N 306.391 2.684 0 40 DFAB O=S1(=O)CCC[C@H]1CN[C@H]1CCSc2ccc(F)cc21 90468514 VFEUDSOUUXCQCY-AAEUAGOBSA-N 315.435 2.529 0 40 DFAB CCNc1cc2c(nn1)CCN(C(=O)CC(C1CC1)C1CC1)C2 71860279 MCBCZGYDIOZNOU-UHFFFAOYSA-N 314.433 2.619 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2nccs2)CC1 71824417 UQTIDQAILYUUKX-HUUCEWRRSA-N 313.426 2.595 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N(C)Cc1ccsc1 7895542 FFKMFWASOVPJJU-UHFFFAOYSA-N 318.398 2.744 0 40 DFAB CN(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C1CCC1 73663341 ITGKTEUFNFMBSN-INIZCTEOSA-N 315.417 2.544 0 40 DFAB CCc1nc(CC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 83830260 AQODQOPRGAHWMQ-LBPRGKRZSA-N 318.446 2.686 0 40 DFAB CCOCCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 71920722 IPUYWWMTIAPNCL-QGZVFWFLSA-N 318.461 2.926 0 40 DFAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cnc2ccccc2n1 69462070 YLGCRLYYBCSBEL-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB c1ccc(-c2noc(CCCNCCCn3cccn3)n2)cc1 69493993 ZZTFWNLLRFVJHT-UHFFFAOYSA-N 311.389 2.546 0 40 DFAB CN(Cc1c(F)cccc1Cl)CC1CCN(CCO)CC1 69869718 GVJFDPDJYNBLIJ-UHFFFAOYSA-N 314.832 2.615 0 40 DFAB Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccs1 69902530 JBFJTLYHYOSMQZ-IINYFYTJSA-N 320.370 2.527 0 40 DFAB COC(=O)c1ccc(OCc2cc3ccccc3c(=O)[nH]2)cc1 97096262 RCTHILLFKACHHH-UHFFFAOYSA-N 309.321 2.894 0 40 DFAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N(C1CCCC1)C1CC1 70693890 QNOGGHSRJYCDFG-DLBZAZTESA-N 306.450 2.563 0 40 DFAB CCN(C)c1cccc(NC(=O)NCCc2cscn2)c1 97021290 VCGBLIOUTSJEBM-UHFFFAOYSA-N 304.419 2.963 0 40 DFAB Cc1ccc(NCc2cccc3cn[nH]c23)cc1S(C)(=O)=O 97051294 ZADJKGYCSAFPPV-UHFFFAOYSA-N 315.398 2.887 0 40 DFAB Cc1ccc(N2CCC[C@H](N(C)CCc3cccs3)C2)nn1 72276689 PGSKBDGMMUWXNP-HNNXBMFYSA-N 316.474 2.990 0 40 DFAB COc1ccccc1C(=O)N1CCN(Cc2cccc(C)c2)CC1 19235028 UKUQAZVNWGNCGZ-UHFFFAOYSA-N 324.424 2.962 0 40 DFAB COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCc2nccn2C1 72254876 QBPKKYHUPIEBBJ-KGLIPLIRSA-N 313.401 2.517 0 40 DFAB C[C@H]1CN([C@@H](CNCc2ccncc2)c2cccs2)CCO1 72254135 JDTXWODWPORFFB-HOCLYGCPSA-N 317.458 2.695 0 40 DFAB CCCn1cc(NC(=O)/C=C/c2ccc(NC(C)=O)cc2)cn1 72302958 DGTDCSZRFWBTDT-RMKNXTFCSA-N 312.373 2.903 0 40 DFAB O=S(=O)(Nc1c(O)cccc1F)c1cccc2cccnc12 72301027 IXBLWWATQIROTI-UHFFFAOYSA-N 318.329 2.880 0 40 DFAB O=C(N[C@@H]1CCCc2occc21)c1cn(-c2ccccc2)nn1 84576695 CREMFZYBMPPQIJ-CQSZACIVSA-N 308.341 2.668 0 40 DFAB Cc1ccc(C[C@H](CNC(=O)c2ccoc2C)C(=O)O)cc1 95970681 NQGHIQBWNRIOSQ-CQSZACIVSA-N 301.342 2.570 0 40 DFAB CC[C@H](C)[C@](C)(O)CNC(=O)c1cn(C)nc1-c1ccccc1 89286587 XVERZFCHYOPUPW-SCLBCKFNSA-N 315.417 2.614 0 40 DFAB Cc1cccc(C(N)=O)c1NCc1noc(-c2ccccc2)n1 86212539 NPOGCRTWTMTYHX-UHFFFAOYSA-N 308.341 2.756 0 40 DFAB C[C@@H]1C(C(=O)O)=NO[C@H]1Nc1ncc(C(F)(F)F)cc1Cl 64220227 CHXMPJORIWTSSV-ALFREKQPSA-N 323.658 2.599 0 40 DFAB Cc1cccc2sc(NC(=O)CCc3cnn(C)c3)nc12 28246741 YETTVJNAWAADEV-UHFFFAOYSA-N 300.387 2.910 0 40 DFAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)ncn3C)c1 74705624 FIUYASJGPNNEAR-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB c1ccc2c(c1)CC1(OCCO1)c1ccccc1CC21OCCO1 3848028 WPKWUHCUDZDRID-UHFFFAOYSA-N 324.376 2.885 0 40 DFAB biogenic O=C(NCCc1cnccn1)N[C@@H]1CCc2cc(Cl)ccc21 527156366 VWAXCLJWQZOCLW-OAHLLOKOSA-N 316.792 2.659 0 40 DFAB CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC(=O)O 5821706 CCNOZWPVQWCJFK-NSHDSACASA-N 308.330 2.823 0 40 DFAB biogenic,in-vitro COc1ccc(CCNC(=O)c2ccn(-c3ccccc3)n2)cc1 32651838 DJPOZZBBFAHSKP-UHFFFAOYSA-N 321.380 2.853 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1c1nc2ccccc2o1 71810955 YPOXKYKJFILCAG-AWEZNQCLSA-N 311.341 2.706 0 40 DFAB CO[C@@H](C(=O)N[C@@H](C)c1c(C)nn(C)c1C)c1ccccc1 78996726 FSDHBAUWFCUQKU-MEDUHNTESA-N 301.390 2.602 0 40 DFAB Cc1ccsc1CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 77739389 ODTWWDDPPLHMIL-LBPRGKRZSA-N 324.446 2.930 0 40 DFAB CCCC[C@H](CC)CNC(=O)[C@@H](c1ccccc1)n1cnnn1 32071267 VDXIKYJZVHBXCF-GOEBONIOSA-N 315.421 2.595 0 40 DFAB CCc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226391124 MJSCFQBYOZURHK-FLMUCADWSA-N 322.408 2.672 0 40 DFAB O=C1CCCN1CCCS(=O)(=O)c1ccc2ccccc2c1 63860790 IOHNAQOIOUMDPN-UHFFFAOYSA-N 317.410 2.626 0 40 DFAB CC[C@H](NS(=O)(=O)c1cc(C)ccc1OC)c1ccncc1 195298103 FODABNFOKUVZPX-AWEZNQCLSA-N 320.414 2.828 0 40 DFAB CC[C@@](C)(CO)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 573861388 KCTWDMCAZPYTHB-KRWDZBQOSA-N 301.390 2.836 0 40 DFAB CN(Cc1nc(N)c2ccccc2n1)[C@H](CCO)c1ccccc1 96501490 KWZSZUOEMJYJBG-QGZVFWFLSA-N 322.412 2.768 0 40 DFAB COc1c(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)c(C)nn1C 96426775 AYMUSYXXQMWXQP-CYBMUJFWSA-N 315.417 2.715 0 40 DFAB CC(C)(C)[C@H](NC(=O)CNC(=O)c1cccs1)C(F)(F)F 96443771 CICNMYNITVLQOW-NSHDSACASA-N 322.352 2.571 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1 93561027 IDHFRYXYPRVBHW-BBRMVZONSA-N 301.390 2.709 0 40 DFAB Cc1nc(N(C)C)sc1C(=O)N[C@H](C)CNc1ccccc1 96496677 LCWPMPQZHVVVMZ-LLVKDONJSA-N 318.446 2.748 0 40 DFAB c1cnc(NCc2cncc3c2CCN(Cc2ccco2)C3)nc1 96189527 SPEVCNGBBYTMEF-UHFFFAOYSA-N 321.384 2.635 0 40 DFAB CCOC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)N1C 96206571 TYTSPGXHJKBBEX-QGZVFWFLSA-N 303.450 2.547 0 40 DFAB C[C@H](Cc1cccs1)NC(=O)NC[C@@](C)(O)c1cccs1 96417625 LROYIKHNTFRCGC-IAQYHMDHSA-N 324.471 2.948 0 40 DFAB Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)c1 96055139 VVSTWMQQFNBYAU-WMZOPIPTSA-N 316.376 2.756 0 40 DFAB CC1=CCC[C@@H](C)[C@H]1CN1CCN(CCN2CCCC2)CC1 97104768 XRZSXCOXCFAURY-MOPGFXCFSA-N 305.510 2.692 0 40 DFAB Fc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cc1 247550697 VVPXTKPUJIKDNF-ROUUACIJSA-N 304.409 2.511 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@]2(C)c2nc(C)cc(C)n2)cn1 257273748 NIBBNLHMUCXOQV-GOSISDBHSA-N 310.401 2.948 0 40 DFAB CO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1C 96104958 IADSBXXMRJCKGO-QGZVFWFLSA-N 313.353 2.841 0 40 DFAB O=c1n(CCSCCCc2ccccc2)nc2ccccn12 65589452 FDKKWKPYIXOYCA-UHFFFAOYSA-N 313.426 2.862 0 40 DFAB CN(C)c1cc(CNCc2cccc3c2OCCCO3)ccn1 48711428 YOPXBQZGMANLAV-UHFFFAOYSA-N 313.401 2.599 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 50735562 RPBFWIBHJFUEJY-ZIAGYGMSSA-N 320.408 2.983 0 40 DFAB CCCN1CCC(CNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)CC1 73953077 RASGBDNRKZFEAF-IRXDYDNUSA-N 305.466 2.716 0 40 DFAB COc1cccc(-c2noc([C@@H](C)NC(=O)N(C)C3CC3)n2)c1 74895760 MCKCKCLIZRRGBV-SNVBAGLBSA-N 316.361 2.610 0 40 DFAB O=C(NCC1(F)CCNCC1)c1cc(Cl)cc(Cl)c1 95917961 TVKBMHBDJGXPBG-UHFFFAOYSA-N 305.180 2.815 0 40 DFAB O=C(CC1CCCCC1)Nc1nc2c(s1)C(=O)NCCC2 96124385 JTAFKDNZUICEDS-UHFFFAOYSA-N 307.419 2.728 0 40 DFAB Cc1noc(C)c1CNc1nnc([C@H]2Cc3ccccc3O2)o1 97045464 KIBWOYBFRGGQTN-CQSZACIVSA-N 312.329 2.963 0 40 DFAB O[C@H]1Cc2ccccc2[C@H]1Nc1ccc(Br)cn1 91430786 LOLDSDXRKJWNSO-GXTWGEPZSA-N 305.175 2.914 0 40 DFAB Cc1nc2ccc(C(=O)NCCn3ccnc3C)cc2s1 12147315 RVCZDXDSRRMMSN-UHFFFAOYSA-N 300.387 2.540 0 40 DFAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(C)no3)sc2c1 12422367 RECNFRANOBAIIU-UHFFFAOYSA-N 316.342 2.803 0 40 DFAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2cccs2)n1 3179042 HDCBELYKFMPVFH-AATRIKPKSA-N 322.411 2.962 0 40 DFAB CC(C)[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC(N)=O 5325523 UIBITDQUUKURBB-LLVKDONJSA-N 323.443 2.874 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(C)s2)c(C(=O)O)c1 21034578 ZKSADECETBGYEI-UHFFFAOYSA-N 311.384 2.864 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)c3ccccc3OC)ccc21 17288922 KQGHZWMEYGBESY-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB c1cnc(OC[C@@H]2CCCN(c3nc4ccccc4o3)C2)nc1 1775969547 XVFCCLIVQYCXRH-CYBMUJFWSA-N 310.357 2.913 0 40 DFAB Cn1cc([C@H]2CN(C(=O)c3ccccn3)Cc3ccccc32)cn1 575620229 RTZKYHRCASEDEC-QGZVFWFLSA-N 318.380 2.603 0 40 DFAB C[C@@H](C(=O)Nc1ccccc1Cl)n1nc(C2CC2)ccc1=O 575619264 JEUGVODODSYMBQ-JTQLQIEISA-N 317.776 2.974 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1F 32745013 UCVXRPYOLNWCSZ-SECBINFHSA-N 314.320 2.597 0 40 DFAB O=C(Cn1nnc2ccccc21)NC[C@H]1CCCc2ccccc21 40059923 QJBNOQRAGAHYOU-OAHLLOKOSA-N 320.396 2.668 0 40 DFAB CN1CCN(Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 40089760 PDWQSPNYHMJTOO-MRXNPFEDSA-N 313.445 2.729 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)c1cn(-c2ccccc2)nn1 31917925 CXSCWTRJBCHGRP-UHFFFAOYSA-N 311.370 2.854 0 40 DFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(N)=O)n2n1 21722634 CJKHJUMRRSQZOJ-UHFFFAOYSA-N 312.398 2.591 0 40 DFAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1 32912572 WVUSMMNNSAXOAP-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(C(C)=O)cc1 546755 NKOWPFNMKKXAFH-AWEZNQCLSA-N 306.362 2.598 0 40 DFAB C[C@@H]1CN(C(C)(C)CNc2ncnc3sccc23)C[C@@H](C)O1 22357642 HYGHHIGPBWKAJD-VXGBXAGGSA-N 320.462 2.991 0 40 DFAB O=C(Nc1ncccc1O)c1cccc(OC[C@@H]2CCCO2)c1 22610385 YZRDHZMFCGBADE-AWEZNQCLSA-N 314.341 2.597 0 40 DFAB CC1CCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)CC1 819273 TWNHRRYLWIHMIG-UHFFFAOYSA-N 316.445 2.863 0 40 DFAB O=S(=O)(NCc1ccco1)c1ccccc1C(F)(F)F 74502 DGTDOUYOPIPRJU-UHFFFAOYSA-N 305.277 2.777 0 40 DFAB C[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)O 151193 GMKCRBXIKKXKSG-VIFPVBQESA-N 300.266 2.905 0 40 DFAB CC(C)c1ccsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 78788462 NHEBPWXLURDHMC-LSDHHAIUSA-N 322.474 2.543 0 40 DFAB CCC[C@H](C)C(C(=O)OCC)(C(=O)OCC)[C@H](C)OCC 1694451 PXHSRAQRDJKRAD-STQMWFEESA-N 302.411 2.960 0 40 DFAB CCCC[C@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(N)=O 1752094 APFHIJURCREXLA-XJKSGUPXSA-N 308.447 2.555 0 40 DFAB O=C(NC[C@H](CCO)c1ccccc1)c1cc(F)c(F)c(F)c1 79066923 HPYPCCLQMKBCMF-LBPRGKRZSA-N 323.314 3.000 0 40 DFAB O=C(CN1CCCCC1=O)Nc1ccc2nc(C3CC3)oc2c1 79025315 ROBIGBVJQBXZFJ-UHFFFAOYSA-N 313.357 2.656 0 40 DFAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)NCC1CCCCC1 25197368 VJTNLHAVWNXYFE-SNVBAGLBSA-N 312.797 2.910 0 40 DFAB O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccco1 4354235 HAPIGDQRNYDFIY-UHFFFAOYSA-N 319.405 2.516 0 40 DFAB O=C(NC1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 6252332 CVHMZXICTNOCTB-AWEZNQCLSA-N 315.417 2.989 0 40 DFAB COc1ccc(N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 107571493 LEGOQYNFUBRDBR-RMRHIDDWSA-N 305.422 2.832 0 40 DFAB Cc1noc(CN2CCN(c3cc(Cl)ccc3C)CC2)n1 26153038 ATBPFHHZQRCFNS-UHFFFAOYSA-N 306.797 2.662 0 40 DFAB CCN(CCNC(=O)c1cccs1)C(=O)c1cccs1 6462912 AFKKWDHWBUYQIL-UHFFFAOYSA-N 308.428 2.702 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 57004336 RGLWIKOAFJEUSH-LSDHHAIUSA-N 302.399 2.514 0 40 DFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccco2)CC1=O 7882132 RRJRPAYXUZZGQS-UKRRQHHQSA-N 312.369 2.506 0 40 DFAB Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)on1 108141421 GZIJBJXLVRVSRF-ZFWWWQNUSA-N 319.792 2.812 0 40 DFAB Cc1ccccc1CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1 97107828 MROCAXUGWWJNCU-INIZCTEOSA-N 318.417 2.680 0 40 DFAB CCOCCO[C@H](C)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 57502781 YCJSELWJCLYOKQ-RHSMWYFYSA-N 323.408 2.801 0 40 DFAB CSc1cncc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 97162943 WHEBRIKIDJWFIF-LBPRGKRZSA-N 322.478 2.576 0 40 DFAB CCCCN(C)C(=O)CSc1ncc(Br)cn1 97142318 XQDIQUVSAWICPY-UHFFFAOYSA-N 318.240 2.590 0 40 DFAB CC(C)OC[C@@H](O)CNc1ccc(F)c(Br)c1 97139775 NDAQMIXMZBHAJA-JTQLQIEISA-N 306.175 2.786 0 40 DFAB O=C(C1=CCCCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107775574 YNCHHHJGZAFFSW-ULQDDVLXSA-N 305.418 2.672 0 40 DFAB CCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCCC 104185393 PCHUBPHMSXVCEZ-YHUYYLMFSA-N 306.450 2.647 0 40 DFAB O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 88436116 DILPNHPACSSYSG-AXFHLTTASA-N 307.312 2.678 0 40 DFAB COc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1 2454737 GNSKNTXUPLSVCO-UHFFFAOYSA-N 319.382 2.542 0 40 DFAB CN(Cn1ncc2ccccc2c1=O)[C@H]1CCc2ccccc21 29314366 TVMVBQYDGOKVOE-SFHVURJKSA-N 305.381 2.973 0 40 DFAB Cc1cc(F)ccc1NC(=O)CCNC(=O)Cc1ccccc1 12773537 SDDACBKHTZKOLD-UHFFFAOYSA-N 314.360 2.822 0 40 DFAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cccnc1 95957346 VIBSNUYAYONTQD-KRWDZBQOSA-N 309.369 2.556 0 40 DFAB Cc1ccc(NC(=O)c2nc3nccc(C)n3n2)c(Cl)c1 3430500 PKGHYTKLZNMJHS-UHFFFAOYSA-N 301.737 2.647 0 40 DFAB COc1ccc(COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 12901850 JWDGHHFJAGNKGT-UHFFFAOYSA-N 322.364 2.930 0 40 DFAB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(C)=CC[C@H]2C(=O)O)cc1 3893703 VJYVMOJMTKUPLK-HUUCEWRRSA-N 316.357 2.641 0 40 DFAB O=C(O)C[C@@H](NC(=O)Cc1cccc(F)c1)c1cccs1 13388120 JXXQHDQBANELKL-GFCCVEGCSA-N 307.346 2.762 0 40 DFAB Cc1cccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)n1 97378711 UKELEBUPBHZWAF-UHFFFAOYSA-N 324.384 2.839 0 40 DFAB Cc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)s1 5110981 BEGGHUJZVJKXNP-UHFFFAOYSA-N 320.395 2.791 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c(C)c1 65515194 XPDJKICZXDNFFA-UHFFFAOYSA-N 311.385 2.787 0 40 DFAB Cc1noc(C2CCN(C(=S)NC3CCCCC3)CC2)n1 66009674 KKXIWHJYWKKXJB-UHFFFAOYSA-N 308.451 2.765 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5562755 MXDCGZCKLCYHQR-MAUKXSAKSA-N 324.405 2.573 0 40 DFAB O=C1CC(=S)N(c2ccc(O)cc2O)c2ccccc2N1 28526931 UVYPJCFFDNWEQI-UHFFFAOYSA-N 300.339 2.906 0 40 DFAB Cc1ccc(CNC(=O)Cc2csc(-c3ccoc3)n2)n1C 96414239 PHWSTSQUNLOTLW-UHFFFAOYSA-N 315.398 2.909 0 40 DFAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1 16046377 ABYYNMFBKRAZGV-UHFFFAOYSA-N 311.168 2.654 0 40 DFAB CCOCc1cc(C(=O)Nc2ccc(OC)nc2)ccc1OC 7849063 REPBNMUPVXHYDN-UHFFFAOYSA-N 316.357 2.888 0 40 DFAB Cc1nc(C2(NCn3ccc(C(F)(F)F)n3)CCCC2)no1 71858767 PADGVZFGDAAELZ-UHFFFAOYSA-N 315.299 2.610 0 40 DFAB Cn1cc(C(=O)N2CCSc3ccc(Cl)cc32)ccc1=O 95367869 HUHWEQYQTSVSEP-UHFFFAOYSA-N 320.801 2.791 0 40 DFAB CCO[C@@H]1C[C@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909299 GBDVMUPKEWTBHU-BMGDILEWSA-N 316.445 2.753 0 40 DFAB CC(C)(C)c1cccc(OCCCNC2(CO)CCOCC2)c1 71907794 LHZQPVSBDFTPIF-UHFFFAOYSA-N 321.461 2.884 0 40 DFAB CC(C)c1n[nH]c(S[C@@H](C(=O)N(C)C)c2ccccc2)n1 17673840 QTWVVFCPKYBJMN-GFCCVEGCSA-N 304.419 2.850 0 40 DFAB Cc1ccccc1Cn1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 18166882 KUBSXFIPQCIFEA-HZPDHXFCSA-N 321.380 2.695 0 40 DFAB O[C@H](CN1CCCC[C@@H]1Cn1cccn1)c1ccccc1F 69981949 ADMCBALGLVCVAN-RHSMWYFYSA-N 303.381 2.610 0 40 DFAB CCn1nnc2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc21 23102354 ZDKJOAZRZUOAHJ-UHFFFAOYSA-N 308.341 2.638 0 40 DFAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 8816080 FVNHEWGDTGNSIF-CYBMUJFWSA-N 316.401 2.815 0 40 DFAB CCCc1nnc2sc(-c3ccc(NC(C)=O)cc3)nn12 20609833 HWYDZOYGBWWICQ-UHFFFAOYSA-N 301.375 2.764 0 40 DFAB CN(CC1CCC1)C(=O)N[C@H](c1ccccc1)c1nccn1C 95957620 LDAIRFIOCQKHBZ-MRXNPFEDSA-N 312.417 2.951 0 40 DFAB O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN1C(=O)C1CCCC1 97098164 GTCVZDZFKQIUIR-HNNXBMFYSA-N 320.364 2.651 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)n1 72273854 UHICRAYPFCZKMY-CHWSQXEVSA-N 304.419 2.963 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccc4[nH]ncc34)C2)n1 72235691 OAQYNUKWOMIQPP-AWEZNQCLSA-N 323.400 2.854 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 95984742 CCLJWVOAZMQNNR-AWEZNQCLSA-N 314.433 2.921 0 40 DFAB CCOc1ncccc1C(=O)Nc1nnc(-c2ccco2)s1 9913016 YIXHKMWTCZRQKZ-UHFFFAOYSA-N 316.342 2.844 0 40 DFAB O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccncc1 89794211 DRPHVTQXIPIMGZ-UHFFFAOYSA-N 311.263 2.764 0 40 DFAB C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(Cn3cccc3)cc2)C1 89894256 COXHOXSKZAYODS-YJBOKZPZSA-N 312.413 2.769 0 40 DFAB O=C(Cc1ccn[nH]1)NCCCOc1ccc2ccccc2c1 89878777 UGARVEPCAANZKG-UHFFFAOYSA-N 309.369 2.691 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)no1 75602197 ISTYXPLMGZKXFU-NSHDSACASA-N 308.769 2.656 0 40 DFAB COC(=O)C[C@H](NC(=O)c1ccccc1OC)c1cccs1 25194672 NMUBBIDWXIIERV-LBPRGKRZSA-N 319.382 2.791 0 40 DFAB CC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151238 VXIIGUJVONLPCD-UHFFFAOYSA-N 324.789 2.925 0 40 DFAB CCCN1CCO[C@H](COc2ccccc2Br)C1 217496687 NGEKIWHPVKVNGP-LBPRGKRZSA-N 314.223 2.939 0 40 DFAB CCOC(=O)c1cc(N)n(-c2ccc(Cl)cc2Cl)n1 71978713 MSSHVKJAEYNIDS-UHFFFAOYSA-N 300.145 2.938 0 40 DFAB Cc1cc(C)c(S(=O)(=O)NCCC2CCN(C)CC2)c(C)c1 120967349 VKGBWRLGPAQUMB-UHFFFAOYSA-N 324.490 2.622 0 40 DFAB COCCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1 182234332 KZABDGFULFHALF-UHFFFAOYSA-N 314.341 2.562 0 40 DFAB Cc1noc(C)c1-c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1 568883400 HTZZGNQWRXERIA-CQSZACIVSA-N 314.341 2.648 0 40 DFAB C/C=C/c1ccc(OC(=O)c2ccc3nncn3c2)c(OC)c1 73087888 VXCQADCMQBBLHB-ONEGZZNKSA-N 309.325 2.990 0 40 DFAB CC(C)(C)OC(=O)N1CCC(COc2ncc(F)cn2)CC1 72202996 PWJZEFMNONCOBR-UHFFFAOYSA-N 311.357 2.642 0 40 DFAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(C)nc1 72330210 MTVSGYXHJYTRGA-UHFFFAOYSA-N 312.369 2.596 0 40 DFAB C[C@@H](O)C(=O)N1CCC(c2ccccc2Br)CC1 189581180 WNVDINHOQFXBDM-SNVBAGLBSA-N 312.207 2.536 0 40 DFAB S=C(NCc1ccccc1)Nc1cnc(Br)cn1 223922805 RZHNVXIHDKOSAC-UHFFFAOYSA-N 323.219 2.726 0 40 DFAB O=C(NCc1ccnc(-c2cccs2)c1)NC1CCOCC1 225652747 YYBLGVCGSZTAJG-UHFFFAOYSA-N 317.414 2.788 0 40 DFAB O=C(Cc1cccs1)N[C@H](c1cccnc1)C1CCOCC1 225617140 RBULOGWBPFXXQS-KRWDZBQOSA-N 316.426 2.970 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 45715657 ZLGWTWDMPQSZBK-FMKPAKJESA-N 300.402 2.734 0 40 DFAB CCc1cccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1O 574723851 DLSSAHBJWMMKHP-CYBMUJFWSA-N 302.418 2.511 0 40 DFAB CN1CCCN(CCCN[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 195571580 STQRGHGRXRYHLJ-WOJBJXKFSA-N 315.505 2.940 0 40 DFAB CC(C)N(C)c1ccc(CNc2nnc(-c3ccncc3)o2)cn1 191526364 AJSDLOBZABNFKP-UHFFFAOYSA-N 324.388 2.983 0 40 DFAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2cc(F)ccc2C1 90635972 QTPFJKVDNRZFMD-INIZCTEOSA-N 309.337 2.663 0 40 DFAB CSC(C)(C)CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 96439261 ARRGLDYQHOJTLQ-AWEZNQCLSA-N 321.490 2.954 0 40 DFAB CSc1ccc(O[C@H](C)C(=O)NCCc2cccnc2)cc1 96419237 NCNUGRVWFIXNEO-CYBMUJFWSA-N 316.426 2.930 0 40 DFAB CCO[C@H]1COC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1 96220580 XNXTVZPGQDQMAR-MRXNPFEDSA-N 303.402 2.795 0 40 DFAB CCn1cncc1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 331641136 UWYYCFJKRKOGAE-AWEZNQCLSA-N 323.393 2.568 0 40 DFAB CCOc1ncnc2c1CCN(Cc1ccc(C)s1)CC2 96058758 OIUQNRXOZUVWHE-UHFFFAOYSA-N 303.431 2.846 0 40 DFAB CC[S@@](=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 95453968 BUFQWMQVQYXDKC-SFHVURJKSA-N 302.461 2.526 0 40 DFAB C[C@@H](C(=O)N[C@H]1CCCOC1)c1ccc(Br)s1 96430934 MAGWOWVRUYPEHO-BDAKNGLRSA-N 318.236 2.909 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@H]2C(C)(C)O)c2ccccc21 96487180 KAZMVCSRHLHAPG-KRWDZBQOSA-N 314.429 2.873 0 40 DFAB Cc1cc(C(=O)N2CCCCCCC2)nc([C@H]2CCCN2C)n1 257285661 PIDVKHUCZPMKII-MRXNPFEDSA-N 316.449 2.958 0 40 DFAB CN(C)[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)C1 252497126 PZPFFYPBSDLYBQ-TUAOUCFPSA-N 321.387 2.842 0 40 DFAB CCCn1cc(CN2CCC[C@@H]2c2cc(NC)nc(C)n2)cn1 257239959 HROQEFGIQRQXNN-MRXNPFEDSA-N 314.437 2.770 0 40 DFAB CCCn1nccc1-c1ccc(C[C@@H]2CCN(C(C)=O)C2)cn1 257311746 UKVKBPIFOWKNSL-INIZCTEOSA-N 312.417 2.766 0 40 DFAB CCOC(=O)COc1ccc(NC(=O)N2CC=C(C)CC2)cc1 282023284 JQWOQIJFOUGYRM-UHFFFAOYSA-N 318.373 2.812 0 40 DFAB COc1cc(OC)cc(C(=O)c2ccc(OC)cc2OC)c1 95916734 NZRLJYQGCWBLFB-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB CC(C)(C)n1cc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)nn1 585093586 GKDSWYPPHWNTHK-WMLDXEAASA-N 313.449 2.929 0 40 DFAB COC[C@@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc12 585096953 FYACPFNCJGXJMF-HNNXBMFYSA-N 310.401 2.785 0 40 DFAB C[C@@H](SC1=NCCS1)C(=O)N1CCc2sccc2C1 73573389 FHJBOHHULROFGK-SECBINFHSA-N 312.485 2.857 0 40 DFAB COCCCCNC(=O)c1sc(-c2ccccn2)nc1C 40536131 PKCRXJQVZKLNSR-UHFFFAOYSA-N 305.403 2.670 0 40 DFAB Cc1cc(C(=O)NCc2cc(Br)cs2)on1 40553619 GPBGNPDMVCLPNX-UHFFFAOYSA-N 301.165 2.737 0 40 DFAB CC1(C)CN(Cc2cc3cc(F)ccc3o2)CCS1(=O)=O 93735283 ZYSWGUYPPUSHDQ-UHFFFAOYSA-N 311.378 2.581 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2nc3ccccc3n(C)c2=O)no1 97201379 XAYCXWNCTGJEGQ-QGZVFWFLSA-N 324.384 2.567 0 40 DFAB C[C@H]1C[C@H](NC(=O)c2ccncc2F)CN1Cc1ccccc1 96466344 SOXLRACLNPOLBL-ZFWWWQNUSA-N 313.376 2.614 0 40 DFAB Cc1ncsc1CN1CC[C@](O)(COc2cccc(F)c2)C1 1615190451 CWHWCMINEKWFHR-MRXNPFEDSA-N 322.405 2.606 0 40 DFAB Cn1cncc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12147617 GOJXLTZFOLKUJJ-UUVAVEHKSA-N 315.392 2.574 0 40 DFAB Cc1ccc2cc(CNCCc3ccncc3)c(=O)[nH]c2c1C 13998775 UXWUNYOIIVEYLW-UHFFFAOYSA-N 307.397 2.872 0 40 DFAB CC(C)CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1 19447203 NACCCHZSZHWYJM-UHFFFAOYSA-N 302.422 2.747 0 40 DFAB C[C@@H](C(=O)N1CCC[C@@H]1CO)c1ccc(Br)cc1 154102876 RTUIDMHWHCFTND-ZWNOBZJWSA-N 312.207 2.536 0 40 DFAB O[C@H](CNC1CCN(Cc2ccccc2)CC1)c1ccccc1 152445 CENCMKFNRCQRPR-HXUWFJFHSA-N 310.441 2.974 0 40 DFAB C[n+]1ccc2cc3c(cc2c1Cc1ccc2c(c1)OCO2)OCO3 2554909 YPVQODFCOUHROX-UHFFFAOYSA-N 322.340 2.713 0 40 DFAB in-vitro COc1cccc(CN2CCC(COc3cnccn3)CC2)c1 1848770041 SZZFCLGRQUWBKL-UHFFFAOYSA-N 313.401 2.776 0 40 DFAB Cn1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cn1 10322237 YVXNBFGZCPRXED-UHFFFAOYSA-N 317.352 2.987 0 40 DFAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(-n3cnnn3)c2)c1 14573560 PENODYKKXSJWNV-AWEZNQCLSA-N 321.384 2.770 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2csc(C)n2)cc1 22558227 YPLVIQSUBSYLOW-NSHDSACASA-N 318.398 2.873 0 40 DFAB CCc1cc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)ncn1 2087130534 PENQJPOPGXUIPO-AWEZNQCLSA-N 304.438 2.512 0 40 DFAB O=c1c2cc(Cl)ccc2nc(S)n1Cc1cccnc1 425311 YFHVHPXCLTXQRG-UHFFFAOYSA-N 303.774 2.782 0 40 DFAB CN(C)c1cccc(C(=O)NCc2nccnc2-c2ccoc2)c1 575619318 DCTJBMMUMQMGBL-UHFFFAOYSA-N 322.368 2.733 0 40 DFAB CO[C@H](C(=O)N1CCCC[C@@H]1c1ncon1)c1ccccc1 96500434 PESVQYKCJVGFOH-KGLIPLIRSA-N 301.346 2.511 0 40 DFAB O=C(CCOc1ccccc1Cl)NC1CCN(C2CC2)CC1 40079863 AQXOETKHJJMEFI-UHFFFAOYSA-N 322.836 2.852 0 40 DFAB Cc1ccccc1NCCC(=O)NCc1ccc2c(c1)OCO2 40159838 GWGFLVZAZLRNHL-UHFFFAOYSA-N 312.369 2.842 0 40 DFAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 31177108 UTGNHLMDABULJW-INIZCTEOSA-N 318.348 2.573 0 40 DFAB NC(=O)[C@@H](NCCc1c[nH]c2cc(F)ccc12)c1ccccc1 51164892 BIYKZFBCPWCYCK-KRWDZBQOSA-N 311.360 2.666 0 40 DFAB CC(C)(C)c1nc(Cn2cccc(C(F)(F)F)c2=O)no1 31815044 XZHGJWBYMNNWGV-UHFFFAOYSA-N 301.268 2.596 0 40 DFAB Cc1nn(C)c(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)c12 20719459 GDZYPCPZFUHZET-UHFFFAOYSA-N 322.290 2.755 0 40 DFAB CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1)OCO2 363734 PADAZQJVTPDVOB-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 41115350 GZNCZFKNSUSHPV-UHFFFAOYSA-N 311.426 2.581 0 40 DFAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1C[C@@H](C)O[C@H](C)C1 21821978 FLKASMHBJFNCJN-MXWKQRLJSA-N 314.788 2.915 0 40 DFAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 21896962 LPKPALPRBFXDFF-WFASDCNBSA-N 312.369 2.592 0 40 DFAB O=C(Cn1cc(C(=O)O)c2ccccc21)NC1CCCCC1 21982921 MHCBSCPWJWVPGV-UHFFFAOYSA-N 300.358 2.788 0 40 DFAB Cc1nc(-c2ccccc2OCC(=O)NCc2ccccc2)no1 33325155 YNZBSMHAWVYSJU-UHFFFAOYSA-N 323.352 2.740 0 40 DFAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1 544406 SYXKCAREFJAHKS-UHFFFAOYSA-N 304.371 2.652 0 40 DFAB CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 523961 PISBWVJTQBOEIQ-IERDGZPVSA-N 305.314 2.994 0 40 DFAB COc1ccc2nc(SCc3ccn(C)c(=O)c3)[nH]c2c1 42089809 PUZJDJSUOCMIFO-UHFFFAOYSA-N 301.371 2.563 0 40 DFAB COc1ccccc1OCCn1cnc2ccsc2c1=O 53652221 ALWGRWJTFKLJBN-UHFFFAOYSA-N 302.355 2.546 0 40 DFAB CNC(=O)c1ccc(O[C@H](C)C(=O)N(C)C2CCCCC2)cc1 42114404 JFOIFVKLCIHZRW-CYBMUJFWSA-N 318.417 2.605 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccnc(-n2cccn2)c1 105147383 CUYQOIFRDGZYHT-CWRNSKLLSA-N 310.401 2.710 0 40 DFAB COc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 148375 YBASNSHSMDCGFA-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB CCOc1ccc(OCC)c(NC(=O)[C@@H](NC(C)=O)C(C)C)c1 24041519 HSNJMJVOCBEVDD-INIZCTEOSA-N 322.405 2.583 0 40 DFAB CCN(CC)c1ncc(CN[C@H](C)[C@H](C)n2cccn2)s1 78789733 HNEVRDWNQGYAAJ-OLZOCXBDSA-N 307.467 2.925 0 40 DFAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@]1(C)C(=O)O 79490483 YDFUQTKYBYRUOC-HNNXBMFYSA-N 310.781 2.526 0 40 DFAB NC(=O)c1ccc[n+](CCCCCCCCCCC(=O)O)c1 1718071 NMSSOMBDLNRDSK-UHFFFAOYSA-O 307.414 2.669 0 40 DFAB COc1cc2c(c3oc(=O)cc(CC(=O)O)c13)CCC(C)(C)O2 2130037 VHIZASLWZCYTLV-UHFFFAOYSA-N 318.325 2.532 0 40 DFAB biogenic CCc1noc(C)c1C(=O)OCC(=O)c1ccccc1OC 7735749 UESCYXPIGHBSCD-UHFFFAOYSA-N 303.314 2.594 0 40 DFAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(F)cc2)c1 51356426 PZXCEGYXUDSPEC-UHFFFAOYSA-N 301.317 2.954 0 40 DFAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NC1CCCCC1 8300480 OKDVBPWJMVNNOY-OFQRWUPVSA-N 309.523 2.904 0 40 DFAB biogenic,in-vitro Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100395464 OAPZOXGLZGZDEE-KWRZAIAESA-N 322.408 2.726 0 40 DFAB CCC(CC)(CC(=O)Nc1ccc2c(c1)CCC(=O)N2)C(=O)O 27057397 JCYTYTHUGGZPGD-UHFFFAOYSA-N 318.373 2.791 0 40 DFAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1sccc1C(N)=O 27554561 ZETJIUMGFBPSOI-VIFPVBQESA-N 323.443 2.540 0 40 DFAB NC(=O)c1cc(Cl)ccc1NCC(=O)Nc1cccc(F)c1 58161422 QAGVQQMQZBGLSS-UHFFFAOYSA-N 321.739 2.629 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2nccs2)c1C 58247821 TXRLQQKSKCGCSC-UHFFFAOYSA-N 308.359 2.622 0 40 DFAB Cc1ccc(-c2cc(CNC(=O)N3CCO[C@@H](C)C3)on2)cc1 44971524 OFAWMAIPUJPJBT-ZDUSSCGKSA-N 315.373 2.580 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCc2nc(C)cs2)on1 44967472 SZMLUNDRSJYECO-NSHDSACASA-N 306.391 2.795 0 40 DFAB Cc1cc(C)c2c(c1)[C@H](NC[C@H]1CNc3ccnn3C1)CCO2 58300250 OJDVQOHIBGLKIS-GOEBONIOSA-N 312.417 2.655 0 40 DFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCCC(C)(C)C 58345297 AYMBENLPYMULKR-UHFFFAOYSA-N 318.421 2.537 0 40 DFAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc(F)cc1 45151057 PKZVEMRLPUDIJJ-SMDDNHRTSA-N 319.384 2.712 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H]1CCCO1 28239863 ZLNQXSLHZLLPDY-AWEZNQCLSA-N 316.426 2.951 0 40 DFAB Cc1ccc(OCC(=O)OCC(=O)Nc2cccc(F)c2)cc1 28614198 HDRYVTVBWMAJCU-UHFFFAOYSA-N 317.316 2.695 0 40 DFAB C[C@H](NC(=O)COC(=O)c1c(F)cccc1F)c1ccccc1 3248173 KNCVRXQMGPUOTD-NSHDSACASA-N 319.307 2.999 0 40 DFAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)cc2F)no1 28879120 AGSBSJIXQZSZHF-UWVGGRQHSA-N 309.316 2.939 0 40 DFAB CN(C)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cn1 46387812 UFAAPIVTZDBEOB-UHFFFAOYSA-N 313.376 2.635 0 40 DFAB COc1ccc(OC)c(C(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 60379164 NVRDVZAKARGKES-UHFFFAOYSA-N 324.340 2.741 0 40 DFAB C[C@@H](CNC(=O)CCc1ccncc1)N1CCc2ccccc2C1 60792948 VTOLXRLNSTVDEW-INIZCTEOSA-N 323.440 2.577 0 40 DFAB Cc1cccc(Cn2cc(Nc3ncnc4[nH]c(C)nc34)cn2)c1 57279107 LAOAXBUVFWKVFB-UHFFFAOYSA-N 319.372 2.958 0 40 DFAB O[C@H]1c2ccccc2C[C@@H]1Sc1nnc2[nH]c3ccccc3n12 12643534 WFJCAWJZLGZZSG-GJZGRUSLSA-N 322.393 2.961 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2ccc3ccccc3c2)no1 3389106 OCTRYHRKJDSEJE-UHFFFAOYSA-N 310.309 2.932 0 40 DFAB Cc1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2)cc1 3390730 YKBFMELUIVSAKV-VAWYXSNFSA-N 309.365 2.868 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H]1CCCO1 3399481 LADKONDECVGBSP-BXUZGUMPSA-N 301.342 2.770 0 40 DFAB C[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1)C(=O)NC(C)(C)C 48331406 YRFLOZHCNGNFNI-OEFZUZNSSA-N 318.417 2.836 0 40 DFAB Cc1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cc1F 12873522 DXBJUYDUQDXNCY-UHFFFAOYSA-N 317.345 2.544 0 40 DFAB C[C@@H](CC(=O)Nc1ccc(F)cc1)NCCOc1cccnc1 95422450 UAMGLRUPKVSKCS-ZDUSSCGKSA-N 317.364 2.606 0 40 DFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F 3581363 BJJWMIGNVMUNEK-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB O=C(CNCCc1ccc(O)cc1)Nc1ccc(Cl)cc1F 65409292 XINOEDQTKXIZGD-UHFFFAOYSA-N 322.767 2.956 0 40 DFAB O=c1[nH]c(NC[C@H]2CCN(c3ccccc3)C2)nc2ccccc12 97995049 UVLKYAXTXGDFSG-CQSZACIVSA-N 320.396 2.862 0 40 DFAB CC1([C@@H]2CCCN(C(=O)NC[C@H]3CC=CCC3)C2)OCCO1 96010875 NDUONNXZSVTHNF-LSDHHAIUSA-N 308.422 2.527 0 40 DFAB O=C(C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9313697 AIHHUDGRICELFT-UHFFFAOYSA-N 313.401 2.683 0 40 DFAB Cc1cc(C(=O)NCCN2CCCCCC2)nn1C(C)(C)C 65412673 CIAGHGBUNOABIQ-UHFFFAOYSA-N 306.454 2.552 0 40 DFAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc3ncsc3c2)C1 4546969 AAGUIDAXNBMURN-LLVKDONJSA-N 318.398 2.712 0 40 DFAB CCN(C)C[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2F)C1 93770336 AHKPVBFHMRWYTD-CQSZACIVSA-N 316.424 2.989 0 40 DFAB C[C@H](OC(=O)c1cccc(O)c1)c1nc2ccccc2c(=O)[nH]1 5665828 LMRZDMNGUCMDGA-JTQLQIEISA-N 310.309 2.547 0 40 DFAB CN[C@@H]1CCCN(C(=O)c2cccc(Br)c2C)C1 88441970 BJPSGPVQEQXUIH-LLVKDONJSA-N 311.223 2.582 0 40 DFAB CCOC(=O)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 6941763 GQKZZQSIELKEGE-HNNXBMFYSA-N 304.367 2.765 0 40 DFAB CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cnn(C)c1 96439393 AQYSPNCIXGPMOI-INIZCTEOSA-N 300.406 2.583 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 15480637 UXGIFTJYJAGQAN-LBPRGKRZSA-N 323.418 2.531 0 40 DFAB CSC[C@@](C)(O)CNCc1cc(F)ccc1Br 90186930 VJRRXCLIACXKOY-LBPRGKRZSA-N 322.243 2.792 0 40 DFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC(c2ccccc2)=NO1 67515810 AGXHDVLWRJDULZ-NXHRZFHOSA-N 306.365 2.852 0 40 DFAB CCOC(=O)CSCC(=O)Nc1ccc(C)cc1Cl 7506507 AGYYQSCCQYUKMR-UHFFFAOYSA-N 301.795 2.883 0 40 DFAB O=C(CCc1ccco1)O[C@H](C(=O)NC1CC1)c1ccccc1 7503704 DMUARDKOAUOAJP-KRWDZBQOSA-N 313.353 2.775 0 40 DFAB C[C@@H](Cc1ccsc1)N[C@H]1CCCN(CC(F)(F)F)C1=O 90591954 JEKPTOXJFDXNAS-JQWIXIFHSA-N 320.380 2.822 0 40 DFAB COC(=O)C[C@@H](NC(=O)Cc1ccc(C)cc1)c1ccccc1 9503597 AMTLJTYETXAGRS-QGZVFWFLSA-N 311.381 2.958 0 40 DFAB COCCCN(Cc1ccncc1)C(=O)c1ccccc1F 71882979 XJMMNCRILCFTNL-UHFFFAOYSA-N 302.349 2.900 0 40 DFAB Cc1cccc(=O)n1CCCCNc1cnc2ccccc2n1 68915342 YGNSXSRVOKGPLX-UHFFFAOYSA-N 308.385 2.992 0 40 DFAB O[C@H]1C[C@H](c2cc(F)ccc2F)N(CCCN2CCCCC2)C1 95946162 YRCGBHCMBQMKIW-MAUKXSAKSA-N 324.415 2.949 0 40 DFAB CCCC(=O)NCC(=O)N1CCCC[C@H]1Cc1ccccc1 69537926 BCEDUPGTEWWWKP-INIZCTEOSA-N 302.418 2.527 0 40 DFAB NC(=O)N1CCC(NC(=O)/C=C/c2cccc3ccccc23)CC1 69772643 CGJACKLMGREXKN-CMDGGOBGSA-N 323.396 2.512 0 40 DFAB CC[C@@](C)(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O 95969983 CMTISMVDBZJAES-MRXNPFEDSA-N 302.330 2.633 0 40 DFAB C[C@H]1CCO[C@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95971256 NISJPHNDJNUSHK-MEDUHNTESA-N 322.368 2.988 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccnc(-n2ccnc2)c1 95956207 ADTGJYADDOBHRE-JKSUJKDBSA-N 322.343 2.692 0 40 DFAB CCCCNC(=O)c1cc(OC)c(Br)c(OC)c1 8884220 WPLYOWNFSDIQIS-UHFFFAOYSA-N 316.195 2.996 0 40 DFAB O=C(O)C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 95971395 MBICLHBBWZCACJ-UHFFFAOYSA-N 315.291 2.571 0 40 DFAB CCc1nc([C@@H]2CCCN2c2ncc(Br)cn2)no1 72273516 AEFHBXCGAVZLBV-VIFPVBQESA-N 324.182 2.526 0 40 DFAB COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](N(C)C)C2)cc1F 72274184 MZCNTFKSCWVDHI-OCCSQVGLSA-N 323.412 2.631 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2OC)o1 72234373 FZSAIXMAEJAMSQ-CYBMUJFWSA-N 317.389 2.870 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)Nc2cc(C)cc(C)n2)c1 97142905 VMLJRDXYOZWVKK-UHFFFAOYSA-N 312.373 2.979 0 40 DFAB CNC(=O)Cc1ccc(NC(=O)c2sc(Cl)nc2C)cc1 72311854 RQGGKHLQMGPMQQ-UHFFFAOYSA-N 323.805 2.646 0 40 DFAB Cn1cc(C2CCN(CCOc3ccccc3F)CC2)cn1 97202772 CPVDBEGMIUGWRG-UHFFFAOYSA-N 303.381 2.818 0 40 DFAB COC(=O)CN(C(=O)c1oc2ccc(OC)cc2c1C)C(C)C 97392944 FDKKUPDTYIDVON-UHFFFAOYSA-N 319.357 2.773 0 40 DFAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C)[nH]c1=O 62639977 LNBYDWATTOXXSH-UHFFFAOYSA-N 320.776 2.618 0 40 DFAB C[C@@H](CC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(F)cc1F 89894547 KINGFFOXOXBOEJ-VIFPVBQESA-N 319.311 2.591 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccco1 75582635 OHFBBVJJUKUWRM-MJBXVCDLSA-N 305.761 2.886 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnc(C)cn2)C12CCCCC2 76022549 AUTBWPIEYINDSY-HZPDHXFCSA-N 317.433 2.985 0 40 DFAB C[C@@]1(C2CC2)NC(=O)N(c2cccc(OC(F)(F)F)c2)C1=O 556018158 ISMFYZHHGJGKHL-ZDUSSCGKSA-N 314.263 2.810 0 40 DFAB Cc1cccc(-n2nc(C(N)=O)nc2-c2cccc(Cl)c2)c1 408696157 WYAIFKBITWZHGZ-UHFFFAOYSA-N 312.760 2.995 0 40 DFAB Cc1nnc(O)c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C 76392421 RFCIITZZVPLRTA-QWHCGFSZSA-N 317.776 2.738 0 40 DFAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@H]1CC=CC[C@H]1C(=O)O 32610333 LUAWUDWRWUIPBJ-QWHCGFSZSA-N 311.341 2.682 0 40 DFAB CNc1ccc(C(=O)NC[C@@H](O)c2cccc3ccccc23)nc1 1557445193 HGTZRPYKZZMYEF-GOSISDBHSA-N 321.380 2.740 0 40 DFAB N[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218489574 BXWFWHOCVJPUJP-KKUMJFAQSA-N 307.802 2.607 0 40 DFAB CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1 35315327 VKAIRUMGWPOUQA-UHFFFAOYSA-N 301.371 2.678 0 40 DFAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc2c(c1)OCO2 39960747 FEBVGUHAUGHODG-HRCADAONSA-N 302.418 2.625 0 40 DFAB biogenic,in-vitro CC(C)C(C)(C)CNC(=O)NCc1ccc([S@](C)=O)cc1 186878084 UGGDYVAHIJBIBD-NRFANRHFSA-N 310.463 2.905 0 40 DFAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCN(CC(C)C)C2)n1 72383500 AKHVZORDLBMUSC-CQSZACIVSA-N 312.421 2.764 0 40 DFAB CCOC(=O)c1cnn(Cc2ccc(Br)cc2)c1 39320464 HLCQKXHFMQEXHS-UHFFFAOYSA-N 309.163 2.871 0 40 DFAB COc1cccc(C2(CN[C@H]3C[C@H](C)OC3=O)CCCC2)c1 79030793 QDGDMIXRMLOLDS-BBRMVZONSA-N 303.402 2.801 0 40 DFAB CC(C)NC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1 223210750 QNJZEEXNQYRSMK-AATRIKPKSA-N 306.431 2.525 0 40 DFAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cccc(CO)c2)C1 228911403 KNXYWIFQDNFFPU-OAHLLOKOSA-N 320.433 2.920 0 40 DFAB O=C(Cc1ccccc1F)N[C@@H]1CCCN(c2ccccn2)C1 131085693 ZQPCSVFGFQUGCF-OAHLLOKOSA-N 313.376 2.548 0 40 DFAB COc1ccc(NC(=O)Nc2cnc(N(C)C)nc2)cc1Cl 75161913 CWNGUALIYFETKP-UHFFFAOYSA-N 321.768 2.849 0 40 DFAB NC(=O)C1(CNC(c2ccccc2)c2ccccc2)CCOCC1 195553472 IZGLQZRWVDTTLB-UHFFFAOYSA-N 324.424 2.648 0 40 DFAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 138471351 MAQVNPIYBUKFBC-FZDBZEDMSA-N 317.344 2.796 0 40 DFAB CCC(CC)CN(CC)C(=O)Cn1c(=O)n(C)c2ccccc21 40093472 LFUGTLBKXUVDSF-UHFFFAOYSA-N 317.433 2.625 0 40 DFAB Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224819365 BWLRDTYBJHVDRL-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C 225692985 AVVYGMRAQZTJKQ-CYBMUJFWSA-N 308.397 2.725 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)NC[C@@H]1CCCCN1 195542823 SIHVIXZJUDXHOX-LBPRGKRZSA-N 300.324 2.506 0 40 DFAB O=C(NCCNc1cccc(Br)c1)c1cccnc1 96499567 HTDDFGPAIOIGPW-UHFFFAOYSA-N 320.190 2.686 0 40 DFAB FC(F)(F)c1ccnc(N[C@@H]2CCO[C@]3(CCSC3)C2)n1 96481053 VAALUCCTWVRSSR-BXKDBHETSA-N 319.352 2.962 0 40 DFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2cc(C)no2)cc1 583615649 WUFWPSIGBASKES-ROUUACIJSA-N 316.401 2.864 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccn1)[C@H]2C 96201211 ZMYVKUTZXCRFQN-HNNXBMFYSA-N 313.449 2.695 0 40 DFAB CCc1cc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)on1 96421464 NJSGYWJCSMBMIY-SWLSCSKDSA-N 309.410 2.632 0 40 DFAB CC[C@@](Cl)([C@H](O)c1ccc(OC)cc1)S(=O)(=O)CC 96520785 MXEKWAKJIGCDCR-OLZOCXBDSA-N 306.811 2.508 0 40 DFAB COc1cc([C@H](C)N[C@@H](C)C2CCC2)ccc1S(C)(=O)=O 90856919 FBNXESXHARQLQD-RYUDHWBXSA-N 311.447 2.938 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cnc2ccccn12 539101781 PBAUHSNDCRJBKV-CYBMUJFWSA-N 309.373 2.652 0 40 DFAB c1cncc(CO[C@@H]2CCC[C@H]3CN(c4nncs4)C[C@H]32)c1 96054608 KEYIUUUSHKQCHM-RRFJBIMHSA-N 316.430 2.755 0 40 DFAB COc1ccccc1OCCc1nnc(NC(=O)C(C)C)s1 95116452 UJPFMJDPJIQJSC-UHFFFAOYSA-N 321.402 2.763 0 40 DFAB Cc1ccc(NC(=O)NC[C@H](O)C(C)C)cc1OC(F)F 96420235 ACGBSFSYCBZYMV-NSHDSACASA-N 302.321 2.735 0 40 DFAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CC[C@H]1Cc1ccccc1 242498489 HHYHPYOUGDVSDD-GUYCJALGSA-N 305.374 2.987 0 40 DFAB CC(=O)N1CC[C@H](c2cc(-c3ccnn3C(C)C)nc(C)n2)C1 257288474 PUIJMXHHSRUQCM-AWEZNQCLSA-N 313.405 2.565 0 40 DFAB O=C(NC1CCOCC1)c1ccnc(Cc2ccccc2F)c1 257305616 SQUMWWLBJPWZLO-UHFFFAOYSA-N 314.360 2.720 0 40 DFAB CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1[nH]ncc1C 257263704 LRBZUDIEFJMSOZ-ZDUSSCGKSA-N 302.378 2.944 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c2ccccc21 257324235 WNTUKXQBHQHKST-CQSZACIVSA-N 320.396 2.988 0 40 DFAB C[C@]1(O)CN(Cc2nccs2)CC[C@@H]1Oc1ccccc1 257344698 ZYILFIXMUORXMO-HOCLYGCPSA-N 304.415 2.547 0 40 DFAB CO[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1F 96123563 KQCBQWRDAMFYET-MRXNPFEDSA-N 323.389 2.666 0 40 DFAB O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 390835749 WZYACVOZIAQOIG-OLZOCXBDSA-N 318.200 2.712 0 40 DFAB COc1ccc(CNC(=O)NCc2ccccc2F)cc1OC 30987021 JPRFOEJBHBOWAM-UHFFFAOYSA-N 318.348 2.842 0 40 DFAB COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc2C1 698520464 GSVAHSWZNQPOSH-HUUCEWRRSA-N 319.401 2.858 0 40 DFAB Cc1nc(N2[C@H]3CC[C@H]2c2c[nH]nc2C3)cc(C(F)(F)F)n1 1776009002 FNFWPGZLKAFACR-KWQFWETISA-N 309.295 2.793 0 40 DFAB O=C(NCc1cc2ccccc2o1)[C@H]1CCCN1c1ncccn1 81552487 GDAFACMZMITGRV-OAHLLOKOSA-N 322.368 2.508 0 40 DFAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(Cl)o2)cn1 89755140 ISGBATBUECNFQO-LLVKDONJSA-N 321.764 2.544 0 40 DFAB CC(=O)CSc1nnc(-c2cc(Cl)nc(Cl)c2)n1C 166704 BUOZVYNEOJFBED-UHFFFAOYSA-N 317.201 2.865 0 40 DFAB COc1cc(CCC(=O)Nc2cc(C)ccn2)cc(OC)c1 12536401 VJNLRMMQNSUAEO-UHFFFAOYSA-N 300.358 2.979 0 40 DFAB CCc1nn2c(=O)cc(COc3ccc(Cl)cc3)nc2s1 13367669 RBQGRNDGKFQLJQ-UHFFFAOYSA-N 321.789 2.946 0 40 DFAB Cc1cccc([C@H]2NC(=O)N3[C@H](c4cccc(C)c4)NC(=O)N23)c1 17004161 UBSUVQRUHUFQSU-IYBDPMFKSA-N 322.368 2.966 0 40 DFAB COC(C)(C)CNC(=O)C1(C)CCN(Cc2ccccc2)CC1 164163257 SRNNEAUTWCMLSG-UHFFFAOYSA-N 318.461 2.830 0 40 DFAB CCCCCCOc1cccc2cc(-c3nn[nH]n3)c(=O)oc12 5820379 GUIWTWATPUPDDY-UHFFFAOYSA-N 314.345 2.932 0 40 DFAB CCCc1nnc(NC(=O)CNc2ccccc2OC)s1 3153340 DRJAVMMIZVNYAJ-UHFFFAOYSA-N 306.391 2.550 0 40 DFAB COC(=O)c1ccc(F)c(NC(=O)c2cccnc2SC)c1 24772699 QLUPYECSFRSCOF-UHFFFAOYSA-N 320.345 2.982 0 40 DFAB O=CN1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 78549336 CPYCEJFPPWEQTH-LBPRGKRZSA-N 300.339 2.784 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CN1C 1565542859 YJNAPMCPWABAPQ-AEFFLSMTSA-N 320.477 2.692 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1 3264880 PMQMLXZQOLPKJU-UHFFFAOYSA-N 320.370 2.971 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccc(Cl)c1)C2 2055771682 QSGPATLHXBJSIC-NVXWUHKLSA-N 323.820 2.998 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)N[C@@H]1CCO[C@@H]1c1ccccc1 96446979 PLQHJDSVZAZBDQ-JFIYKMOQSA-N 324.380 2.950 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@H]1C 533967 GOQUZTFUPFRUMB-KBMXLJTQSA-N 318.417 2.649 0 40 DFAB COc1ccc(C2=NN(C(C)=O)C3(CCCCC3)O2)cc1OC 209009 YCZVWNYLENIVAP-UHFFFAOYSA-N 318.373 2.905 0 40 DFAB Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)N3CCCC3)coc2c1 104634637 BKENAUCKDQFNRZ-ZDUSSCGKSA-N 315.369 2.838 0 40 DFAB COc1ccccc1COC[C@@H](O)Cn1cnc2ccccc21 23386653 YRFCFQDSIQPNBF-HNNXBMFYSA-N 312.369 2.623 0 40 DFAB COCCOCc1cccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c1 47591726 ZHFCIWMPDNYNGT-CZUORRHYSA-N 322.405 2.539 0 40 DFAB CC(C)OCCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 47682423 PIBYKPZSJKDQBE-HNNXBMFYSA-N 323.437 2.531 0 40 DFAB O=C(O)CCSCc1ccc(I)cc1 1671683 AMKZYZIVWNLINY-UHFFFAOYSA-N 322.167 2.999 0 40 DFAB in-vitro O=C(NC[C@H]1CCCO1)N1CCC(COc2ccccc2)CC1 55084381 DYPULZGDGHCLBJ-QGZVFWFLSA-N 318.417 2.666 0 40 DFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccco1 2427114 LYWGHSUTBNKSOS-UHFFFAOYSA-N 315.304 2.718 0 40 DFAB O=C(CSc1nnc2n1CCCCC2)NC1CCCCCC1 24717315 GCYQATKJUNVSTI-UHFFFAOYSA-N 322.478 2.936 0 40 DFAB CCOc1ccc(NC(=O)CSc2nnc(CC)o2)cc1 6451333 XUCXLVSZLCXRSQ-UHFFFAOYSA-N 307.375 2.762 0 40 DFAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 25379814 UHYUPFCYGQRZGX-LBPRGKRZSA-N 316.332 2.910 0 40 DFAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1COCCO1 55949891 XPAHQSIDLZLCEX-INIZCTEOSA-N 317.316 2.972 0 40 DFAB CCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 43953321 WAMTWAMCDKQING-LBPRGKRZSA-N 310.419 2.744 0 40 DFAB CCC(=O)NCC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 57559391 WQAHORQTWWLSAO-HOTGVXAUSA-N 302.418 2.697 0 40 DFAB O=C(NC(C1CC1)C1CC1)c1nc(N2CCCC2)ncc1Cl 44409335 HSCHSDLSOMUYCW-UHFFFAOYSA-N 320.824 2.649 0 40 DFAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1cn2ccccc2n1 57981350 WYPQTCRNWFXQLM-UHFFFAOYSA-N 321.336 2.680 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 27370274 MZCAGGULXHBFPR-XQQFMLRXSA-N 319.405 2.525 0 40 DFAB CN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)Cc1ccccc1 37799104 FVVCOLFXKYEVKH-INIZCTEOSA-N 302.805 2.868 0 40 DFAB Cc1ccc(CCC(=O)Nc2cccnc2-n2cncn2)c(C)c1 58200821 YJFUKYFGUPSTOH-UHFFFAOYSA-N 321.384 2.850 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O 2154882 NWBIIQOQPPPDLF-ABAIWWIYSA-N 317.389 2.509 0 40 DFAB biogenic CC(=O)N[C@H](CC(=O)Nc1cc(C)ccn1)c1cccs1 10430632 PTTAPUCMLBPSIF-GFCCVEGCSA-N 303.387 2.658 0 40 DFAB C[S@@](=O)Cc1ccccc1NC(=O)NCc1cccs1 97140972 IZDSXZSAKGWRHA-FQEVSTJZSA-N 308.428 2.948 0 40 DFAB CCN(CC)C(=O)C[S@](=O)Cc1ncc(Cl)cc1Cl 97148254 PKMMPHWZMSHZAO-IBGZPJMESA-N 323.245 2.506 0 40 DFAB Cn1c(C(=O)Nc2ccc(F)cc2-n2cccc2)cccc1=O 97115713 JDFZOOPFYNLCSV-UHFFFAOYSA-N 311.316 2.567 0 40 DFAB Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1F 29896750 YAQWFMQHXUNYKL-GFCCVEGCSA-N 316.380 2.943 0 40 DFAB CCOC(=O)c1c(C)oc2ncnc(Nc3nccs3)c12 95434832 BGOMHKHXBYVNJX-UHFFFAOYSA-N 304.331 2.908 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)Cc1coc2cc(C)ccc12 95445649 UBPMSYYMEBKDFG-IAQYHMDHSA-N 307.415 2.512 0 40 DFAB CC(C)N(CCNC(=O)[C@@H]1Cc2ccccc2S1)C(C)C 12730960 OXFJHORKRANXSR-INIZCTEOSA-N 306.475 2.938 0 40 DFAB C[C@@H](NC(=O)Nc1cccnc1)[C@@H](O)c1c(F)cccc1F 95403837 XZBGEACGRXXAKA-YMTOWFKASA-N 307.300 2.603 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)s2)c1C 3389090 ZEAVJMUYBBPJAZ-UHFFFAOYSA-N 309.416 2.969 0 40 DFAB Cc1nn(CN2CCN(c3ccccc3)CC2)c(=S)s1 24149022 BJNVKUAOVDNRMO-UHFFFAOYSA-N 306.460 2.762 0 40 DFAB COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(C(C)C)cc1 95400050 LQJIQYQFEJOJDC-OAHLLOKOSA-N 321.442 2.931 0 40 DFAB COc1cc(NC(=O)COC(=O)c2cccs2)cc(OC)c1 3379438 ADNDWGVJFBRRBR-UHFFFAOYSA-N 321.354 2.561 0 40 DFAB CCc1nc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc2o1 48382551 QMCMVMGYHWKMQO-VXGBXAGGSA-N 314.341 2.996 0 40 DFAB CCCCn1nnnc1CSc1nnc(-c2cccs2)o1 48333647 MNALPSJJLNVPQN-UHFFFAOYSA-N 322.419 2.877 0 40 DFAB COC(=O)C[C@@H](NC(=O)CCc1ccco1)c1cccs1 22502497 UQXNDIAULJNUME-GFCCVEGCSA-N 307.371 2.694 0 40 DFAB COCC1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 95459619 WOZDSCMRZFSCGS-UHFFFAOYSA-N 316.323 2.989 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccncc3)c12 9118797 DQMRVFLNCBOEDZ-UHFFFAOYSA-N 308.341 2.734 0 40 DFAB COc1cccc(NC(=O)CN2CCC[C@@H]2c2cc(C)on2)c1 13013882 VLDXOIKARPATTF-MRXNPFEDSA-N 315.373 2.767 0 40 DFAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1 72311288 LRCMUORFXZNMNH-INIZCTEOSA-N 312.369 2.983 0 40 DFAB O=C(OCc1ccccc1)N1CCC(O)(c2ccccn2)CC1 26898605 CNTQPTBRKWUGFU-UHFFFAOYSA-N 312.369 2.702 0 40 DFAB COc1ccc([C@@H](CO)N(C)Cc2cccc3c2OCO3)cc1 93415425 NJFHGUKOHNLSCM-MRXNPFEDSA-N 315.369 2.589 0 40 DFAB CC(=O)N1N=C(c2cccs2)C[C@@]12C(=O)Nc1ccccc12 9340585 YRKFIWAKZHVSGX-MRXNPFEDSA-N 311.366 2.552 0 40 DFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccccc1F 14097298 HWZVBBXJQCFUKR-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CC(=O)c1cccc(O[C@H](C)C(=O)N2CCCSCC2)c1 65586988 XGKKFKFKKFOCDL-CYBMUJFWSA-N 307.415 2.622 0 40 DFAB NC(=O)c1cccc(COc2cccc(Oc3ncccn3)c2)c1 65563645 YKVLLCOPHUTVTA-UHFFFAOYSA-N 321.336 2.947 0 40 DFAB O=C(CCC(=O)c1ccc(F)cc1)NCCc1ccccn1 6509690 DDDKVWILNVLDCF-UHFFFAOYSA-N 300.333 2.543 0 40 DFAB COc1ccc(OC)c2c1cc(C(=O)Nc1nccs1)n2C 72401186 KLHFOYWDSIVHIT-UHFFFAOYSA-N 317.370 2.904 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]1c1ccccc1 67142042 GBMVGNFRKDSJGC-CQSZACIVSA-N 304.390 2.875 0 40 DFAB CC(=O)N1CCC(C(=O)NC[C@H](C)Sc2ccccc2)CC1 96431719 AKERPAASCQFHGB-ZDUSSCGKSA-N 320.458 2.542 0 40 DFAB CCOc1ccc2c(c1)C(=O)N[C@@H](c1cnc(CC)s1)N2 96429909 DXTVSZJWBUYKHL-AWEZNQCLSA-N 303.387 2.958 0 40 DFAB COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)s1 67811934 NKYRJFOMIACZTJ-NWDGAFQWSA-N 301.367 2.821 0 40 DFAB CN(C)[C@@H](CNc1ncc(C(N)=O)cc1Cl)c1ccccc1 71816306 HQSKUHJQHSRFJP-AWEZNQCLSA-N 318.808 2.549 0 40 DFAB Cc1n[nH]c2ncc(C(=O)N3CCC(C(F)(F)F)CC3)cc12 81315694 QTHZWEIFJYXNCJ-UHFFFAOYSA-N 312.295 2.681 0 40 DFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(C)o1 19940204 AARJIBDJVXSJTN-HNNXBMFYSA-N 319.357 2.559 0 40 DFAB CN(C)c1ccccc1CN(C)[C@@H](C(N)=O)c1cccc(F)c1 72599590 OEUIKRRVFFAWJT-QGZVFWFLSA-N 315.392 2.550 0 40 DFAB COC(=O)[C@@H](NC(=O)CCc1ccco1)c1cc(F)ccc1F 69533581 JUZOZDFMDSXGOR-HNNXBMFYSA-N 323.295 2.521 0 40 DFAB Cc1c(C(=O)Nc2ccccn2)nnn1-c1ccccc1Cl 69535856 WNASJMTZGMWJHQ-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB O=C(Nc1nnc(CSc2ccccc2)s1)[C@H]1CCCO1 9614710 ULQUGGFZHBTFTD-LLVKDONJSA-N 321.427 2.948 0 40 DFAB Cc1cc(C)n([C@H]2CCCN(C(=O)CCc3nccs3)C2)n1 69952166 QEJHUZGLSYCBOU-AWEZNQCLSA-N 318.446 2.753 0 40 DFAB COc1ccc(CNC(=O)CSc2nccn2C2CC2)cc1 8748266 KUGHWCOKJPOKKQ-UHFFFAOYSA-N 317.414 2.635 0 40 DFAB Cn1c(=O)n(CCC(=O)Nc2ccc(F)cc2)c2ccccc21 8706011 TXLUATPYFRPERR-UHFFFAOYSA-N 313.332 2.508 0 40 DFAB CNC(=O)c1cccc(NC(=O)/C=C/c2cccc(OC)c2)c1 8924873 PPRSZAIONNNUKB-MDZDMXLPSA-N 310.353 2.707 0 40 DFAB O=C1NC(C(F)(F)F)(C(F)(F)F)Nc2nc3ccccc3n21 8973352 MEPKBYQSEVVNLF-UHFFFAOYSA-N 324.184 2.840 0 40 DFAB OC[C@H](Nc1ncncc1Br)c1ccccc1F 97016678 KAHLHEOPYKVRIJ-NSHDSACASA-N 312.142 2.524 0 40 DFAB COC[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(C)C 72295453 PPTYBAFSRZTCDH-QGZVFWFLSA-N 300.402 2.807 0 40 DFAB Cc1cc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)no1 72232216 PCDYSMJGVANJET-LLVKDONJSA-N 304.350 2.509 0 40 DFAB Cc1nc([C@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)no1 95958023 GKPLMWGJFDHNEB-MRXNPFEDSA-N 317.389 2.739 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1F 95969649 SMDQSZSACMSELK-NEPJUHHUSA-N 309.312 2.582 0 40 DFAB C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)c2ccccc2O1 89808660 HEMUBVUTSFHAIG-CYBMUJFWSA-N 320.352 2.695 0 40 DFAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H](n2cncn2)C1 75583666 GIGQQKTVUZRBJV-SFHVURJKSA-N 324.428 2.563 0 40 DFAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccco1 20611326 VYXLNKQVPUWWCS-UHFFFAOYSA-N 300.343 2.942 0 40 DFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)OC(C)(C)C 33630740 LECWJAYUIMQGDY-UHFFFAOYSA-N 314.769 2.812 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)Nc1ccc2c(c1)NC(=O)CC2 125751816 WVRHYFWWNFDILS-KRWDZBQOSA-N 324.380 2.768 0 40 DFAB CCCN1CCO[C@@H](COc2ccc(Br)cc2)C1 217499260 HPSSUEFRHOVJNM-CQSZACIVSA-N 314.223 2.939 0 40 DFAB O=C(NCC1CC1)[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306145034 ZVSFWXLBKYKTKI-ZDUSSCGKSA-N 313.376 2.847 0 40 DFAB COc1cc(Cl)ccc1C(=O)NCCCn1nc(C)cc1C 79121938 MDZCSSLFPOYDSZ-UHFFFAOYSA-N 321.808 2.982 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N1CCSCC[C@@H]1C 189262581 RVZWDCZDCWPXJL-ZDUSSCGKSA-N 310.467 2.576 0 40 DFAB Cc1cc(NC(=O)CN(C)c2nc3c(F)cccc3s2)no1 70973657 UOHLIRIQSLCJSA-UHFFFAOYSA-N 320.349 2.807 0 40 DFAB CCc1ccc([C@@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218518738 SYYUYBDVOFAIQA-KSZLIROESA-N 316.422 2.797 0 40 DFAB CCOC(=O)c1cc(N)c(Sc2nc(C)n[nH]2)c(Cl)c1 70462542 NQHIMQZGXQKYPL-UHFFFAOYSA-N 312.782 2.677 0 40 DFAB CC(C)NC(=S)Nc1ccc(Br)cc1C(=O)O 216931270 AWFUVSYLENHPPD-UHFFFAOYSA-N 317.208 2.842 0 40 DFAB Cc1cnn(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1 79028570 DMMCYPDMXXWBQW-UHFFFAOYSA-N 312.417 2.735 0 40 DFAB C[C@@]1(C(=O)O)CC(c2ccc(Br)cc2F)=NO1 71981105 QYANCOVURORQSS-NSHDSACASA-N 302.099 2.556 0 40 DFAB O=C(NCCCNCc1cccnc1)c1cccc(F)c1Cl 195542693 NNLLGWUWONAZFP-UHFFFAOYSA-N 321.783 2.784 0 40 DFAB CCc1cc(CNC(=O)N[C@H]2CCO[C@H]2c2ccccc2)on1 83233062 LTYSXZDKMHLTKU-HOTGVXAUSA-N 315.373 2.566 0 40 DFAB COc1cc(NC(=S)N[C@@H](C)CCc2ccccc2)ncn1 225183362 QTLNZTYYBBLYFD-LBPRGKRZSA-N 316.430 2.793 0 40 DFAB Cc1cnc(N2CCC[C@H]2c2nc(C(=O)O)c(C)s2)nc1C 573448984 LUVVNJHFMBLFOE-NSHDSACASA-N 318.402 2.898 0 40 DFAB COCCNCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl 195543171 BBRSCWQQWNJINJ-MRVPVSSYSA-N 323.195 2.546 0 40 DFAB Cc1c[nH]c(=O)n1-c1cccc(N[C@H](C)CCn2cccn2)c1 195555570 FJLHJARDTLNCTO-CYBMUJFWSA-N 311.389 2.561 0 40 DFAB C[C@@H](C(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1 195567366 YOMNFPCRHVCXCG-QAPCUYQASA-N 320.396 2.939 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)Nc1cnn(C2CCOCC2)c1 96104581 ZIONJEKPLAKLFQ-ZDUSSCGKSA-N 315.373 2.641 0 40 DFAB CCOCCCNC(=O)c1ccc2ccc(N(CC)CC)n2c1 96037219 FKUXHYTXNJSWHT-UHFFFAOYSA-N 317.433 2.942 0 40 DFAB Cc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)ccn3)CC(=O)N2C)cc1 96181278 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CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Cc2ccncc2)C1 71256117 JPWNSTOMUAVTJF-CQSZACIVSA-N 304.390 2.840 0 40 DFAB in-vitro COCc1c(C(=O)N2CCOCC2(C)C)oc2ccccc12 71830853 XZJPHFXMOCVZLW-UHFFFAOYSA-N 303.358 2.830 0 40 DFAB CC[C@H](C)CN(C)C(=O)NCc1ccc(OC)c(NC(C)=O)c1 72277849 XBXUIOQWSZAZBT-LBPRGKRZSA-N 321.421 2.841 0 40 DFAB COC(=O)[C@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1 72305480 APVXHYATLMVBEE-GOSISDBHSA-N 311.381 2.958 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)on1 53402325 AFBSONJQUUNAII-GFCCVEGCSA-N 318.377 2.786 0 40 DFAB CCC(CC)C(=O)N1CCO[C@](CO)(Cc2ccccc2C)C1 1615142431 KVXPMVDWYDRFIB-LJQANCHMSA-N 319.445 2.564 0 40 DFAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccnc1 5180270 JYWMCCGCHBKEMP-UHFFFAOYSA-N 321.380 2.894 0 40 DFAB CCOc1ccccc1NC(=O)COc1ccc(C(=O)O)cc1 13079782 DRJKFICTZPVBRV-UHFFFAOYSA-N 315.325 2.801 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(OC)cc2)C1 13636209 AGXOZVHWBCUJJX-LBPRGKRZSA-N 322.430 2.667 0 40 DFAB O=c1[nH]c2ccccc2nc1/C=C\NC(=S)Nc1ccccc1 17223256 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COc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1 130857 AFXJZPILHACUHP-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1C[C@H]1CCCO1 141090 TZJCYORTWPUNAZ-OXQOHEQNSA-N 323.392 2.709 0 40 DFAB CCOC(=O)NCCC(=O)Nc1cccc(Br)c1 40513427 LFIYFLKIRZPQNB-UHFFFAOYSA-N 315.167 2.524 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526572 QUCSEGTZDXGGBN-SMDDNHRTSA-N 310.419 2.790 0 40 DFAB Cc1cc(C(=O)N2CCSCC2)c2cnn(C(C)C)c2n1 40542135 SVEKQFRSPFXOCY-UHFFFAOYSA-N 304.419 2.510 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)C(=O)c2ccoc2C)c(C)c1 51202652 LWZHGCJCUUYNPA-UHFFFAOYSA-N 321.398 2.974 0 40 DFAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(C)s1)C2 32074889 QTDBJGGXPWLAAN-LBPRGKRZSA-N 322.411 2.763 0 40 DFAB Nc1ncccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 40817562 YCGDFIWZOAJTBT-UHFFFAOYSA-N 321.384 2.560 0 40 DFAB COc1ccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525125 YDAPLKNTHJCXON-CQSZACIVSA-N 319.386 2.510 0 40 DFAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1cccc(F)c1 32873995 KLJLADLSUNVRPN-NSHDSACASA-N 322.365 2.526 0 40 DFAB Cc1ccccc1CCNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103097145 RRBGWNWHPLEVAO-JZFKGDSASA-N 313.441 2.985 0 40 DFAB O=C(NCc1cccnc1)c1cccc(OC[C@H]2CCCO2)c1 22609709 PTBZDRQEUSNNKM-QGZVFWFLSA-N 312.369 2.569 0 40 DFAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccsc2)CC1 54362407 OXRWDBJLXNWIFA-UHFFFAOYSA-N 319.430 2.701 0 40 DFAB Cc1ccsc1C(=O)OCc1nc2ccccc2c(=O)[nH]1 12487140 RDOCYNKMMKCFBQ-UHFFFAOYSA-N 300.339 2.650 0 40 DFAB CN(C)CCOc1ccc(-c2ccc(N)cc2)c2c(N)noc12 77024582 DUUDTAUUXIOBHR-UHFFFAOYSA-N 312.373 2.600 0 40 DFAB Cc1cc(C)n(-c2ccc(NCC3CCSCC3)nn2)n1 77967425 XWKUVERVHGQYKW-UHFFFAOYSA-N 303.435 2.834 0 40 DFAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(c2ncccn2)C1 1357880 XVKAOJPLBQBVAS-INIZCTEOSA-N 322.412 2.820 0 40 DFAB O=C(Nc1nc2ccc(F)cn2n1)c1ccc2ncccc2c1 79064637 PWLVOTUPPPFLRB-UHFFFAOYSA-N 307.288 2.669 0 40 DFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccn(C)c(=O)c1 55736062 UDLFENNJURSALS-LBPRGKRZSA-N 321.380 2.626 0 40 DFAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 6472205 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318.377 2.501 0 40 DFAB O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)OCc1ccccc1 2569497 LUYGYUGZSGMKOX-MRXNPFEDSA-N 324.380 2.998 0 40 DFAB O=C(NCc1ccco1)c1nc(-c2ccc3[nH]ccc3c2)no1 12322414 WEGFOHZUQJBWNX-UHFFFAOYSA-N 308.297 2.741 0 40 DFAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 12397035 ZFGAVKNDAHRXIM-UHFFFAOYSA-N 311.341 2.739 0 40 DFAB Cc1noc2ncc(C(=O)NCc3ccc4c(c3)CCC4)cc12 61574106 KZYNLOWRSPIHKL-UHFFFAOYSA-N 307.353 2.950 0 40 DFAB OC[C@@H](O)CSCc1nc(-c2c(F)cccc2F)cs1 97164255 ORPPMSSPHULUTI-MRVPVSSYSA-N 317.382 2.675 0 40 DFAB CCNC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12790425 AYWXTXNVKWNVRQ-XCODYQFDSA-N 308.432 2.653 0 40 DFAB CCN1CCCN(c2nnc(Cc3ccc(F)cc3)s2)CC1 97109354 QCMAGWMXNVLPNF-UHFFFAOYSA-N 320.437 2.800 0 40 DFAB O=C(COC(=O)c1ccccc1F)Nc1ccc(F)c(F)c1 3394454 IFAUHRZIIWQCDZ-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CN(Cc1ncnn1C)C(=O)C(C)(C)Cc1cccc(Cl)c1 84774700 REPRFSGUBGRTBJ-UHFFFAOYSA-N 320.824 2.696 0 40 DFAB CC(C)[C@@H](Sc1nc2ccccc2s1)C(=O)NC(N)=O 3445239 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OCc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)o1 93868264 WALGOOPIMWZDOG-CRAIPNDOSA-N 301.386 2.860 0 40 DFAB Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(O)c1 7284997 WVVYVQCXZTYCGS-UHFFFAOYSA-N 312.325 2.637 0 40 DFAB CCn1c([C@H](C)NC(=O)/C=C/c2cnccn2)nc2ccccc21 68174982 MWDMNLHUZQJOGZ-XEHSLEBBSA-N 321.384 2.737 0 40 DFAB Cc1csc(=O)n1CCC(=O)N[C@@H]1CCCc2ccccc21 9516542 KTTFWZIDFDZDLJ-OAHLLOKOSA-N 316.426 2.802 0 40 DFAB Cc1nc(CC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 71827265 TYRQJPVGDVYNFH-WBMJQRKESA-N 316.426 2.983 0 40 DFAB C[C@H](Cc1ccsc1)NS(=O)(=O)Cc1cccc(F)c1 68897988 FJBBAYIGXDLFRD-LLVKDONJSA-N 313.419 2.938 0 40 DFAB Cc1cc(C)c(CNC(=O)c2cc3c(s2)CCCC3)c(=O)[nH]1 16511154 YQMUHCVCCYPESW-UHFFFAOYSA-N 316.426 2.862 0 40 DFAB CN(c1ccccc1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 8104442 QFVILIXQQAAQKN-UHFFFAOYSA-N 319.382 2.529 0 40 DFAB COC(=O)c1ccccc1COc1cccc(-n2cncn2)c1 96501931 CIZREBMQHWVQEO-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cccc(OC)c2)C1 16891181 NVOKHMAQXSDONI-BOLDSZDNSA-N 317.385 2.510 0 40 DFAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)c1cc(C(N)=O)c[nH]1 84656470 ZZICDSFFKSIABQ-LBPRGKRZSA-N 311.385 2.727 0 40 DFAB CC(C)(C)c1cnc(CN2CCCC[C@H]2Cn2cncn2)o1 69493250 FUMONLHKRJJTSG-ZDUSSCGKSA-N 303.410 2.618 0 40 DFAB COc1ncccc1NC(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 83915413 VSWLJWYQPNOZFW-JSGCOSHPSA-N 301.321 2.907 0 40 DFAB CC(=O)N1CCN(Cc2nc(-c3ccccc3C)cs2)CC1 69570679 BPRQWGFGKYTGDJ-UHFFFAOYSA-N 315.442 2.783 0 40 DFAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1COC 69709376 KSCZKLNCUCCTNE-ROUUACIJSA-N 316.445 2.922 0 40 DFAB COC(=O)CSc1nc(C)c(Oc2ccccc2)c(O)n1 18118422 OJMNIIMRWLUVKL-UHFFFAOYSA-N 306.343 2.548 0 40 DFAB O=C(N1CC[C@H](Oc2ccccn2)C1)C1(c2ccccc2)CC1 95418703 VJGFUEYXCPIOPT-INIZCTEOSA-N 308.381 2.793 0 40 DFAB NC(=O)Cc1ccccc1OCc1noc(C2CCCCC2)n1 95442510 YSSVNHVMCFBMQD-UHFFFAOYSA-N 315.373 2.724 0 40 DFAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cccn1 8714879 JYHPDJGBRGHYNR-UHFFFAOYSA-N 308.403 2.816 0 40 DFAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1F 8992765 SKNVJKOYVKODPO-QMMMGPOBSA-N 317.349 2.611 0 40 DFAB O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCSCC1 97048387 WGDONMANBUMVQI-CYBMUJFWSA-N 310.394 2.798 0 40 DFAB Cc1noc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)n1 71184917 REBIADFKDJVFPY-SSDOTTSWSA-N 315.251 2.803 0 40 DFAB CCc1csc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)n1 89289694 RHRONDCTWUCQAU-NSHDSACASA-N 319.434 2.536 0 40 DFAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)CC1(O)CCCC1 89368828 CHKVOUOXZGZNEF-LBPRGKRZSA-N 311.809 2.871 0 40 DFAB O=C(C1CC1)N1CCC[C@H](C(=O)N(C2CCCC2)C2CC2)C1 89818083 KZVWDHBVSBBTRH-AWEZNQCLSA-N 304.434 2.569 0 40 DFAB Cc1cccc(CNC(=O)Cc2nc(-c3ccco3)oc2C)n1 75572975 CGWHJLAZMREQBD-UHFFFAOYSA-N 311.341 2.805 0 40 DFAB CCOc1cn(C)c(C(=O)Nc2cc(C)cc(C)c2)cc1=O 23135595 GSQGGFWAOBEQFZ-UHFFFAOYSA-N 300.358 2.653 0 40 DFAB COc1cc(C=O)c(Br)c(Br)c1O 567161 WKLKGSHBXNPUDU-UHFFFAOYSA-N 309.941 2.738 0 40 DFAB biogenic,in-vitro c1cn(C[C@H]2CCCN2Cc2ccc(N3CCCC3)nc2)cn1 188411396 RMUVLZAOCSCNJM-QGZVFWFLSA-N 311.433 2.543 0 40 DFAB O=C(Nc1ccccc1F)N1CCN(C(=O)C2CCCC2)CC1 32779538 MXFWEYIKJZHHMK-UHFFFAOYSA-N 319.380 2.692 0 40 DFAB C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203926 ORXZHSMQKOPXPF-STQMWFEESA-N 306.410 2.527 0 40 DFAB CN(C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72212640 XCWVVCBQXSLDDN-UHFFFAOYSA-N 307.394 2.635 0 40 DFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(F)c(C)c1 32602144 AORUGRGBNYZKIO-UHFFFAOYSA-N 323.345 2.860 0 40 DFAB CN1CCC[C@H](C(=O)NCCCSCc2ccccc2F)C1 78578607 ZBQPRQLOSMMSMH-AWEZNQCLSA-N 324.465 2.907 0 40 DFAB O=C(NCc1nc(-c2cccc(Br)c2)no1)C1CC1 225386492 VLYPUSNHLKCNED-UHFFFAOYSA-N 322.162 2.525 0 40 DFAB CCCN(C)C(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O 225428934 JRHKFPLUWYZQPN-NSHDSACASA-N 318.373 2.886 0 40 DFAB biogenic,in-vitro C[C@@H](Nc1ncnc2c1cnn2-c1ccccn1)c1ccccn1 46088334 LBUKROWSPNWLJT-GFCCVEGCSA-N 317.356 2.779 0 40 DFAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1c[nH]c3ccccc13)C2 225519562 OTVCWOINGFTEIB-GFCCVEGCSA-N 308.385 2.621 0 40 DFAB CCOCCOc1ncc(NC(=O)C(C)(C)OCC)cc1C 225892539 HOGOMAPJVHIDIL-UHFFFAOYSA-N 310.394 2.559 0 40 DFAB COc1ccc(-c2cc(C(=O)N(C)CC(F)(F)F)no2)cc1 80345408 DIEVZLKDOOVUGA-UHFFFAOYSA-N 314.263 2.985 0 40 DFAB CCc1nc2cc(CNS(=O)(=O)C3CC3)ccc2n1C1CC1 330032500 OFUZUNVIAHYOLG-UHFFFAOYSA-N 319.430 2.515 0 40 DFAB COc1c(C(=O)Nc2ccccc2)nnn1Cc1ccc(C)cc1 96183341 YTELWRXAZHIKAN-UHFFFAOYSA-N 322.368 2.896 0 40 DFAB COc1cc(C=O)c(Cl)cc1OCC(=O)N1CCCCC1 95095107 UUGHOJGTEJTLPE-UHFFFAOYSA-N 311.765 2.552 0 40 DFAB CC(C)Nc1ncccc1C(=O)Nc1nc2c(s1)COCC2 96436333 BBDPQSSLGOMIGO-UHFFFAOYSA-N 318.402 2.683 0 40 DFAB CCOC(=O)c1cc(N)n(-c2cccc(OC(F)(F)F)c2)n1 95094627 FAXUDSPGKRHJKT-UHFFFAOYSA-N 315.251 2.530 0 40 DFAB C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCCC[C@H]1S(C)(=O)=O 245339433 SSPMQJCHIZMNKP-LVQVYYBASA-N 317.495 2.527 0 40 DFAB C[C@]12CC[C@@H]3[C@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 256436501 OLPSAOWBSPXZEA-WSWCPBFLSA-N 304.430 2.850 0 40 DFAB Cc1cccc(N2CCC[C@@H](NC(=O)c3ccsc3)C2)n1 257282275 OTCIDKRJQPWOCX-CQSZACIVSA-N 301.415 2.850 0 40 DFAB COc1ccc(C)cc1CN1CCn2c(nnc2C(C)C)C1 72253018 YJZNBJSKOOJDAI-UHFFFAOYSA-N 300.406 2.734 0 40 DFAB Cc1ccc([C@@H]2CN(c3ncnc4ncccc34)CCO2)cc1 1776001216 FWHPEKFNGSBLKS-INIZCTEOSA-N 306.369 2.911 0 40 DFAB CC(C)(C)c1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)[nH]n1 78988185 PXNRDXKSYNIXCL-UHFFFAOYSA-N 318.402 2.935 0 40 DFAB O=C(NCc1ccsc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 96484409 VTDVROQSVXTGRT-MCIONIFRSA-N 306.431 2.895 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)c1cc[nH]n1 97048604 MZXJSDDGGUNZTF-UHFFFAOYSA-N 309.167 2.856 0 40 DFAB C[C@H](c1cccnc1)N(C)C[C@H](O)COCc1ccccc1 79311529 FFJQATJQARTNOE-QAPCUYQASA-N 300.402 2.652 0 40 DFAB O=C(NCC1(OCCO)CCCC1)C12CC3CC(CC(C3)C1)C2 952965280 YHTZVFRRAIXOQY-UHFFFAOYSA-N 321.461 2.641 0 40 DFAB CC(C)c1cc(C(=O)NC(C)(C)CN2CCCC[C@H]2C)n(C)n1 12203211 AZKJIERVECKSEA-CQSZACIVSA-N 320.481 2.926 0 40 DFAB COCc1ccc(C(=O)N2CCCCC[C@H]3NCC[C@@H]32)cc1 19712331 JFNNCOXCOQKQRI-SJORKVTESA-N 302.418 2.580 0 40 DFAB COc1ccc2nc(Cl)c([C@@H]3CNN=C3C(C)=O)cc2c1 160320 NSGSNRAYUDZLLI-LBPRGKRZSA-N 303.749 2.529 0 40 DFAB CC1(C)CC(NCc2nccn2CC(F)(F)F)CC(C)(C)N1 105415686 DZUWHKGUEUGFFZ-UHFFFAOYSA-N 318.387 2.844 0 40 DFAB O[C@]1(COc2ccc(F)cc2)CCCN(Cc2ccccn2)C1 2037905582 JUCPMDPOOFMKKL-GOSISDBHSA-N 316.376 2.627 0 40 DFAB Cc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C 4504397 UNNJGNCFQLYHTD-INIZCTEOSA-N 323.458 2.589 0 40 DFAB CN1CCN(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)CC1 211126928 DBUMUWQCSURWAQ-INIZCTEOSA-N 319.424 2.763 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)nn1 97378594 KFCQRFDJMJSMEK-CHWSQXEVSA-N 318.421 2.853 0 40 DFAB COc1ccc(NCc2cn(C)nc2-c2ccncc2)c(C)n1 97376077 KDVJNBLOXZLJLB-UHFFFAOYSA-N 309.373 2.806 0 40 DFAB CCCn1nnnc1CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 40088666 BRCDJXRTSQKGDR-WFASDCNBSA-N 315.421 2.964 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H]3C=CCC3)cn2)n1 40553633 NQOCRESQUHHFAP-OAHLLOKOSA-N 310.401 2.857 0 40 DFAB CCOC(=O)c1ccc(OC(=O)c2c(C)nn(C)c2Cl)cc1 32879102 OTWOLNZODRUUNR-UHFFFAOYSA-N 322.748 2.778 0 40 DFAB O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccc1)C1CC1 32908648 SEEPQGXLOGKMDG-UHFFFAOYSA-N 322.364 2.786 0 40 DFAB C[C@@H](CNC(=O)CCc1cccnc1)N1CCc2ccccc21 33056411 VMMPNNLBBOBGDW-HNNXBMFYSA-N 309.413 2.582 0 40 DFAB NC(=O)CN(Cc1cc(-c2ccc(F)cc2)no1)C1CCCC1 52826666 XDPJBTZGSFLKKA-UHFFFAOYSA-N 317.364 2.711 0 40 DFAB Cc1cccc(C2(C(=O)N[C@@H]3CCCc4c3cnn4C)CC2)c1 53462734 WWFJOPVJDOCQHL-MRXNPFEDSA-N 309.413 2.954 0 40 DFAB COc1c(Cl)cc(C(=O)N(CC(=O)O)C2CC2)cc1Cl 37588846 URCSWIDQVKCSFZ-UHFFFAOYSA-N 318.156 2.691 0 40 DFAB CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 24032568 RDNGUMFFVLISCP-UHFFFAOYSA-N 311.385 2.733 0 40 DFAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1cccs1 779341 LJIKXAZDDUKEHO-UHFFFAOYSA-N 322.459 2.741 0 40 DFAB Cc1ccc(F)cc1C(=O)N1CC[C@H](OCc2cccnc2)C1 79022915 ZAQWASHMLOWACV-INIZCTEOSA-N 314.360 2.960 0 40 DFAB CCCN(CCc1cccc(F)c1)C(=O)c1cc[nH]c(=O)c1 79107791 PKCFUEHGTUCCNC-UHFFFAOYSA-N 302.349 2.609 0 40 DFAB CCCNC(=O)Nc1ccc(I)cc1 1800743 DVIHHFNCTUUHFD-UHFFFAOYSA-N 304.131 2.823 0 40 DFAB CC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccsc1 3472650 PQHNQKBALNUEGL-UHFFFAOYSA-N 317.366 2.675 0 40 DFAB CC(C)COc1ccc(CCNC(=O)N2CCOC[C@H]2C)cc1 106579782 FPTZPNXSGQKXME-OAHLLOKOSA-N 320.433 2.694 0 40 DFAB c1ccc(-c2ncc(CN[C@@H]3CCN4CCCC[C@@H]34)cn2)cc1 106826103 APWSGPAFMPHVRC-MSOLQXFVSA-N 308.429 2.860 0 40 DFAB CCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 106925118 XVBRMLQZCYQQIH-JSGCOSHPSA-N 310.825 2.708 0 40 DFAB CC(C)c1ccc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 97138826 KQTSGGIZSDLHDA-QWRGUYRKSA-N 316.444 2.994 0 40 DFAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccccc1 35170087 OJUKXTAKMMODJD-QGZVFWFLSA-N 323.352 2.861 0 40 DFAB Cc1nnc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1C 107518856 NLQOIWDMRHRVNB-HUUCEWRRSA-N 318.421 2.585 0 40 DFAB Cc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)[nH]n1 57259381 QLDPVSSEAQAGJA-QGZVFWFLSA-N 306.369 2.765 0 40 DFAB CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355194 CXVNYNWHPWTDOG-XJKSGUPXSA-N 306.381 2.507 0 40 DFAB COc1ccc(Cl)cc1C(=O)NCCCN1CCCCC1 35857042 WRCWHWVHIQPSRF-UHFFFAOYSA-N 310.825 2.954 0 40 DFAB O=C(Cn1cccn1)NCc1cccc(OCc2ccccc2)c1 58178315 QVTDWFYSRYVPAC-UHFFFAOYSA-N 321.380 2.779 0 40 DFAB Cc1nn(C)c(C)c1CC(=O)N1CCc2[nH]c3ccccc3c2C1 44894524 PBAPUWHAZROSHD-UHFFFAOYSA-N 322.412 2.646 0 40 DFAB Cc1csc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)n1 27775008 QPKBSKVSPWCCIR-UHFFFAOYSA-N 323.368 2.692 0 40 DFAB Cc1cc(NC(=O)CN2CCCC[C@@H]2c2nc(C)cs2)on1 58330676 IHHFAYIPXULCEI-GFCCVEGCSA-N 320.418 2.914 0 40 DFAB Cc1cnn(CC(=O)Nc2nc3cc(F)c(F)cc3s2)c1 58356346 GBVXFHGNZDXQHF-UHFFFAOYSA-N 308.313 2.718 0 40 DFAB COc1cccc(-c2cc(NC(=O)CC(C)C)n(CCO)n2)c1 84456664 XKABFIMMICTOEN-UHFFFAOYSA-N 317.389 2.536 0 40 DFAB COC(=O)COc1cc(NCc2nccn2C)c(Cl)cc1C 95412002 QGVFDWPKHQSWHV-UHFFFAOYSA-N 323.780 2.546 0 40 DFAB Cc1ccc2nc(CNc3cc(F)ccc3F)cc(=O)n2c1 11622122 BXBXHTGIBJAEJI-UHFFFAOYSA-N 301.296 2.893 0 40 DFAB CC(C)n1cnnc1SCC(=O)N1c2ccccc2C[C@H]1C 11719915 QMGDMQJNZMNQEQ-GFCCVEGCSA-N 316.430 2.929 0 40 DFAB Cc1csc(SCC(=O)NC(=O)NCc2ccccc2)n1 2661141 UFIIWXZUNAASNS-UHFFFAOYSA-N 321.427 2.570 0 40 DFAB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 2708349 BLIGYOLZLBADOO-MRXNPFEDSA-N 311.337 2.806 0 40 DFAB O[C@@H](CN1CCC[C@H]1c1ccccc1Cl)Cn1cccn1 48234753 FWVKVTGBMPRNOD-BBRMVZONSA-N 305.809 2.735 0 40 DFAB NC(=O)N[C@@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 3308465 LUAYOSNCVANEFH-AWEZNQCLSA-N 300.314 2.663 0 40 DFAB CSc1ccc(CN(C)CC(=O)Nc2cc(C)on2)cc1 3323164 ONDMUMXSOPLQMC-UHFFFAOYSA-N 305.403 2.775 0 40 DFAB O=C(COC(=O)c1cccc(O)c1)NC1CCCCCCC1 3511749 IEMQUMBOQPZWAQ-UHFFFAOYSA-N 305.374 2.778 0 40 DFAB NC(=O)c1cnc(N2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 48607851 KPKCAPNFWDMMLV-QMMMGPOBSA-N 307.703 2.613 0 40 DFAB CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 13005232 XETFKHXBJKJHFO-UHFFFAOYSA-N 319.430 2.633 0 40 DFAB CN(Cc1cscn1)c1ccc(S(=O)(=O)C(F)F)cc1 63255421 IVMDOROJYLBABV-UHFFFAOYSA-N 318.370 2.776 0 40 DFAB O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cnccn1 96002314 UGKPJONMBFTMRE-NSHDSACASA-N 317.217 2.788 0 40 DFAB Cc1nc(CN(C)C(=O)Nc2cccc(N3CCCC3)c2)no1 96004852 GPSOGVQCLLJEAA-UHFFFAOYSA-N 315.377 2.642 0 40 DFAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 14086118 FLKASMHBJFNCJN-OUAUKWLOSA-N 314.788 2.915 0 40 DFAB O=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCC3 6557738 CPPRIFGBFTZPTR-UHFFFAOYSA-N 309.321 2.528 0 40 DFAB COc1cccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c1 5531850 NLQJZRQVSSYWTG-UHFFFAOYSA-N 324.336 2.972 0 40 DFAB CCCCNC(=O)Cc1noc(-c2cncc3ccccc23)n1 95451641 BMRHRTNCBLKTCJ-UHFFFAOYSA-N 310.357 2.744 0 40 DFAB CC(C)CN(CC(=O)O)C(=O)c1cc(-c2ccccc2)no1 96999750 VDGNNJISTYHLFE-UHFFFAOYSA-N 302.330 2.524 0 40 DFAB CCOC(=O)c1sc(N)c(C(=O)NC2CCCCC2)c1C 409135320 YIMYOPCTCZQYLH-UHFFFAOYSA-N 310.419 2.878 0 40 DFAB COc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1 6915043 QVNMAYHVQSTOKU-UHFFFAOYSA-N 321.380 2.896 0 40 DFAB Cc1nnc(COc2ccccc2N2CCC[C@@H](C)C2)n1C 95460333 YVIOVRQBMRZJRA-CYBMUJFWSA-N 300.406 2.939 0 40 DFAB Cc1ccc(CC(=O)OCC(=O)NCc2ccc(F)cc2)cc1 7069869 QBOIUKPPFFZNJZ-UHFFFAOYSA-N 315.344 2.536 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccnn1 97083049 FBJJXYQMGYYPRZ-CYBMUJFWSA-N 314.393 2.966 0 40 DFAB COc1cc2c(cc1CN(C)Cc1snnc1C)CCC2 67434044 FODHTYGKNSSMHR-UHFFFAOYSA-N 303.431 2.976 0 40 DFAB Cc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 7180166 NCIUEYWXQIIVKW-GFCCVEGCSA-N 305.428 2.959 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)no1 67888481 KETSPLZGNDGPEP-ABZNLYFFSA-N 301.346 2.644 0 40 DFAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nccs1 8060562 KIRMTNVDJMLDJQ-UHFFFAOYSA-N 300.343 2.764 0 40 DFAB O=C(CCSc1ccccn1)NC[C@H](O)c1ccccc1F 97016044 RJMDWHHDIBCGNL-AWEZNQCLSA-N 320.389 2.553 0 40 DFAB COc1c(C)cnc(CN2CC(n3nc(C)cc3C)C2)c1C 71880945 ARQUGEDEQJLORC-UHFFFAOYSA-N 300.406 2.577 0 40 DFAB COc1cc(C2(C(=O)NCC[C@@H]3CCCO3)CC2)ccc1C 69417232 OAANPGOJIKYFRM-HNNXBMFYSA-N 303.402 2.721 0 40 DFAB Cc1cnn([C@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)c1 69418552 QRZZGUNKVGTWLB-CVEARBPZSA-N 300.406 2.808 0 40 DFAB Cc1nnc([C@@H](C)N2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299971 IFDDSCIVPFHAJM-SKDRFNHKSA-N 303.366 2.579 0 40 DFAB CC(C)N1CNc2c(c(=O)[nH]c(=S)n2Cc2ccccc2)C1 19938901 LRMXZRICKQRHHZ-UHFFFAOYSA-N 316.430 2.548 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2ccnc2C)C1 69772455 DECOTAQKPZKUPJ-NHYWBVRUSA-N 316.405 2.764 0 40 DFAB O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cc[nH]n2)C1 92073494 HREORVDEVBDSCF-UONOGXRCSA-N 311.307 2.736 0 40 DFAB O=C(Nc1cc[nH]n1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 71915469 JQQVDNJERBAEEX-UHFFFAOYSA-N 321.262 2.867 0 40 DFAB NC(=O)[C@H](Sc1nccn1Cc1ccccn1)c1ccccc1 71903270 AKOKWQGJFUIVLO-OAHLLOKOSA-N 324.409 2.645 0 40 DFAB CN1c2ccccc2C(=O)N[C@@H]1c1cnn(-c2ccccc2)c1 19354047 FMQKCJLQAFXAED-KRWDZBQOSA-N 304.353 2.751 0 40 DFAB CCOc1cc(NC(=O)N2CC[S@](=O)C(C)(C)C2)ccc1C 84804994 YDDIEDMRDMYZOY-JOCHJYFZSA-N 324.446 2.769 0 40 DFAB CCOC(=O)c1cn2cc(C(=O)OCc3ccccc3)ccc2n1 85347980 XROPQUPWIPNBME-UHFFFAOYSA-N 324.336 2.868 0 40 DFAB Cc1ccnc2c1NC(=O)CN2C(=O)c1cccc2ncccc12 95989183 QPXSDCZNBUTYCN-UHFFFAOYSA-N 318.336 2.537 0 40 DFAB Cc1nc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)no1 95958021 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DFAB CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)c(C)o2)C12CCOCC2 546731066 QZPXJKGHPUSZLL-HUUCEWRRSA-N 307.390 2.600 0 40 DFAB CC1CCC(NC(=O)C(=O)NC[C@H](C)c2ccccc2)CC1 408706889 HDHMXNNOLCUZHE-BBBYJDLNSA-N 302.418 2.601 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2 25769226 FIVYBZKBYUZCPY-UHFFFAOYSA-N 304.419 2.553 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C)n1 27978277 JUQWBLDIDBUVFM-CYBMUJFWSA-N 314.341 2.915 0 40 DFAB O=C(Cn1cnc2sccc2c1=O)NCCC1CCCCC1 33121029 UPAJDYCAQZLQQD-UHFFFAOYSA-N 319.430 2.545 0 40 DFAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@H]1c1cccc(Cl)c1 218484934 RRKCNSQBLRZYAH-BZUAXINKSA-N 322.813 2.888 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@@H]2c2cccc(F)c2)cc1 218631026 PSUGTCKXGIBADH-IXDOHACOSA-N 319.401 2.649 0 40 DFAB COc1cccc([C@@H]2C[C@]23C(=O)Nc2ccc(C(=O)O)cc23)c1 217475785 MUWCRAUDYHYSAW-KBXCAEBGSA-N 309.321 2.771 0 40 DFAB CCOC(=O)c1cnc2cc(OCc3ccccc3)nn2c1C 38781660 QDCRIQBGIMDTGZ-UHFFFAOYSA-N 311.341 2.793 0 40 DFAB Cc1cccc(-c2nc(CSc3nc4ncccn4n3)no2)c1 32913799 SEMWVPWSKBQKTD-UHFFFAOYSA-N 324.369 2.775 0 40 DFAB COC(=O)C1(NC(=O)/C=C/c2c(F)cccc2F)CCCCC1 40132519 MZXKBQPCZHGUFH-CMDGGOBGSA-N 323.339 2.970 0 40 DFAB Cc1ccc(-c2snnc2C(=O)NCc2cccnc2)cc1 71195328 XNGRBTDAQOQGPQ-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 72228226 PGGUIBOQVBODSJ-LSDHHAIUSA-N 304.752 2.890 0 40 DFAB COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1C 74965971 VMRFOTSWHOCYOG-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB Cc1ccc2oc(=O)c(C(=O)NCCCOC(C)C)cc2c1 226037497 WUSOLEWNBHFDSI-UHFFFAOYSA-N 303.358 2.646 0 40 DFAB CCOc1c(Cl)cccc1CC(=O)N1CC[C@@H](O)[C@H](C)C1 190531042 GBXADKMAFUKJQO-BXUZGUMPSA-N 311.809 2.511 0 40 DFAB O=C(Cn1ccnn1)NCc1ccccc1Sc1ccccc1 96455637 HWKMWIFKPBFSMK-UHFFFAOYSA-N 324.409 2.746 0 40 DFAB Cc1cc(C(=O)NCCCC(=O)O)c(C)cc1Br 190520628 PLCWLCKAZGDLEX-UHFFFAOYSA-N 314.179 2.661 0 40 DFAB CCC(=O)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 96207809 WXKMVDBBQKDVMC-OAHLLOKOSA-N 318.417 2.516 0 40 DFAB CC[C@@H](C)c1cc(C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)on1 96422366 NGSQWGNVDGOWEV-DOMZBBRYSA-N 321.421 2.565 0 40 DFAB O=C(/C=C/c1cc(Br)cs1)N[C@H]1CCCOC1 95403520 FWIVSQGBDOYQLV-FSIBCCDJSA-N 316.220 2.819 0 40 DFAB CCc1nc(C[S@@](=O)Cc2ccc(OC)c(Cl)c2)no1 95448464 XRIWTXPAUJZKCX-HXUWFJFHSA-N 314.794 2.743 0 40 DFAB C[C@@H](Sc1ncccc1Br)C(=O)NC1CC1 96411979 VXGKPFUSTWUYPA-SSDOTTSWSA-N 301.209 2.603 0 40 DFAB c1ccc(CN2CC[C@]3(C[C@H](Nc4ccccn4)CO3)C2)cc1 96219053 ZFGZXWFEFLNVAI-HKUYNNGSSA-N 309.413 2.927 0 40 DFAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccco1 96424035 AZHPLQZUWJHSDS-RYUDHWBXSA-N 308.378 2.703 0 40 DFAB COc1ccccc1-c1noc(-c2nc(-c3ccncc3)no2)n1 98212397 SHOWATQHFQSCDW-UHFFFAOYSA-N 321.296 2.857 0 40 DFAB CCS(=O)(=O)CC(=O)Nc1ccccc1Nc1ccccc1 96495190 XKBKASXXFNKGQH-UHFFFAOYSA-N 318.398 2.803 0 40 DFAB C[C@H](N[C@H](C)CCc1ccc2c(c1)OCO2)c1nccn1C 341708716 QIFVVUIWGSMTBL-OLZOCXBDSA-N 301.390 2.821 0 40 DFAB c1cncc(CN2CC3(C[C@@H](Oc4cccnc4)CS3)C2)c1 253601491 BHQTZSNVBXEOGS-MRXNPFEDSA-N 313.426 2.616 0 40 DFAB Cc1cnc2c(c1)N(C(=O)[C@@H]1CCCc3cccnc31)CCO2 252508079 XCCNMXCRWHQLIJ-CQSZACIVSA-N 309.369 2.631 0 40 DFAB Cc1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 257255311 KGZSIIVJEFLWGU-HNNXBMFYSA-N 319.430 2.775 0 40 DFAB Cn1cncc1-c1nccnc1[C@@H]1CCCN(C2CCCC2)C1 257267149 MGDONDHTPIHUDE-CQSZACIVSA-N 311.433 2.999 0 40 DFAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCOCC1 257173637 TUHHSRZPTXZNLS-UHFFFAOYSA-N 300.333 2.669 0 40 DFAB CNc1cc([C@@H]2CCCN(C(=O)c3ncccc3C)C2)ccn1 257256038 KJVSCYVVRVJVJQ-OAHLLOKOSA-N 310.401 2.847 0 40 DFAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1C(C)C 260380304 RTTIPDMAEACRHV-AVGNSLFASA-N 322.478 2.818 0 40 DFAB CCc1cc(N2CCC[C@@H](Nc3ncccc3F)C2)ncn1 267774009 LOANJXUPTJBHMC-CYBMUJFWSA-N 301.369 2.654 0 40 DFAB Cn1cc(C(=O)NCCc2ccc[nH]2)c(C2CCCCC2)n1 271869721 ZOBNLNSNYVNBQU-UHFFFAOYSA-N 300.406 2.768 0 40 DFAB CN(C)C(=O)C[C@H]1CN(Cc2ccsc2)Cc2cccn2C1 585099093 LJNJDSUHCXBNAB-HNNXBMFYSA-N 317.458 2.660 0 40 DFAB CC[C@@H](C)N1C[C@]2(CCCN(CCc3ccccc3)C2)C1=O 585099574 QQJZTMQRJLMRKF-VQIMIIECSA-N 300.446 2.952 0 40 DFAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc2cc(F)ccc2[nH]1 29992475 SLHLKSBZWHACCP-UHFFFAOYSA-N 311.272 2.994 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 71870327 OUVUEWRHCBOCSB-ZDUSSCGKSA-N 302.378 2.619 0 40 DFAB CC(C)c1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 72343307 DCYRDQFZVWJXGY-IAGOWNOFSA-N 322.412 2.835 0 40 DFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(C)C)C3)c2N)cc1 72397232 GGQXGGAYBQCQHL-CQSZACIVSA-N 312.417 2.676 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)CC2CCCC2)CC1 44448643 GEFSVAHSDJLENN-UHFFFAOYSA-N 305.422 2.516 0 40 DFAB O=C(NCc1cc(Br)cs1)Nc1cn[nH]c1 47040338 QSLSBBIHUSQPFA-UHFFFAOYSA-N 301.169 2.555 0 40 DFAB COc1c(F)cc(NCC(=O)N2CCc3ccccc32)cc1F 55893546 XFFRDGLAZBASKE-UHFFFAOYSA-N 318.323 2.975 0 40 DFAB Cc1nnc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)o1 84291573 HVUXMDSKCGSDHB-UHFFFAOYSA-N 321.185 2.800 0 40 DFAB CCO[C@@H]1C[C@@H](NCc2ccc(-n3cncn3)cc2)C12CCC2 89986004 JTYQVXBHEOOQCX-IAGOWNOFSA-N 312.417 2.705 0 40 DFAB O[C@H]1Cc2ccccc2[C@H]1Nc1cncc(Br)c1 80584539 GHVKCGWXALVBBE-UONOGXRCSA-N 305.175 2.914 0 40 DFAB Cc1noc([C@@H]2CCCN2C(=O)NCCCc2ccccc2)n1 90608580 GFJYXWUIPBWMQC-HNNXBMFYSA-N 314.389 2.857 0 40 DFAB CCO[C@H]1C[C@@H](N(C)Cc2cc(=O)c(O)co2)C12CCCCC2 98013279 AKYNVEFIWXWNNV-SJORKVTESA-N 321.417 2.905 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1 12929723 YKXHFMRTLRAQCM-STQMWFEESA-N 322.836 2.964 0 40 DFAB O=C(CSc1nncn1C1CC1)Nc1cc(F)ccc1F 14803159 ZIGWSEULAICPEE-UHFFFAOYSA-N 310.329 2.622 0 40 DFAB CNc1oc(-c2ccc(OC)cc2)nc1P(=O)(OC)OC 16752956 UTYGEXDWPSYMEB-UHFFFAOYSA-N 312.262 2.503 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)[C@@H](C(=O)N(C)C)c1ccccc1 17312079 VDHODYXITVZLHW-HDICACEKSA-N 324.424 2.730 0 40 DFAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H](Cc3ccccc3)CN2C1 19372791 NODBEUOYVUNKEU-PCCBWWKXSA-N 322.452 2.549 0 40 DFAB CC(=O)N[C@H](CC(=O)N(C)c1ccccc1)c1cccs1 21441150 OFJQEXGVAXSHFO-CQSZACIVSA-N 302.399 2.978 0 40 DFAB Cc1nccc(O[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 575605666 RNYOWEGEPFNKNR-CQSZACIVSA-N 315.373 2.678 0 40 DFAB Cc1cc(CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)no1 579609362 VQQCRKGNWGYYOA-AWEZNQCLSA-N 307.781 2.556 0 40 DFAB CN(C(=O)COC(=O)/C=C/c1cccs1)c1ccccc1 3222959 RGDFJPAZWPLVOC-MDZDMXLPSA-N 301.367 2.968 0 40 DFAB O=C([C@@H]1CN(Cc2cccc(Cl)c2)CCO1)N1CCCCC1 1888849831 XWTKYJOVKAEFGN-INIZCTEOSA-N 322.836 2.553 0 40 DFAB Clc1cnccc1OCC1CCN(c2ncccn2)CC1 1889090945 RRNKJSGENMHYAJ-UHFFFAOYSA-N 304.781 2.820 0 40 DFAB COc1cc(CNC(=O)c2cccc(C)n2)ccc1OC(F)F 25261554 LCLBIXNJJOQELO-UHFFFAOYSA-N 322.311 2.930 0 40 DFAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccco1 238879364 OWFGUXOSGMXGAC-OAHLLOKOSA-N 303.339 2.600 0 40 DFAB CNC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 4335454 HWYAZDDGPVWQOF-UHFFFAOYSA-N 314.410 2.778 0 40 DFAB CCOC(=O)N[C@@H](CNC(=O)Cc1cccs1)CC(C)C 40090517 VUZCOEAUEGONJY-GFCCVEGCSA-N 312.435 2.568 0 40 DFAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(C)=O)cc1 30445908 VOUOXOCPEBQJDY-UHFFFAOYSA-N 307.371 2.693 0 40 DFAB Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 51431 RNKMSLYUKBOSTP-UHFFFAOYSA-N 319.411 2.880 0 40 DFAB CCN1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1 20335525 XVEGZVZYRMYQIM-UHFFFAOYSA-N 320.370 2.670 0 40 DFAB O[C@@H](CN1CCC[C@@H]1c1cccc(Cl)c1)Cn1cccn1 52077976 PEALOJFBGAMMRF-JKSUJKDBSA-N 305.809 2.735 0 40 DFAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(OCCC(C)C)cc1 491181 XZWUXRHXGAHEBM-MRXNPFEDSA-N 319.401 2.889 0 40 DFAB biogenic COc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 509814 JVSQVQYHXJNSMX-UHFFFAOYSA-N 304.346 2.961 0 40 DFAB CNC(=O)c1ccc(O[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 42114401 JFOIFVKLCIHZRW-ZDUSSCGKSA-N 318.417 2.605 0 40 DFAB NC(=O)CN(Cc1ccc(-c2ccccc2)cc1)C(=O)C1CC1 54257264 NLLOTVQGRXGWCW-UHFFFAOYSA-N 308.381 2.578 0 40 DFAB O=S(=O)(/N=C(\O)CCC(F)(F)F)c1ccc(F)c(F)c1 76767078 QJNPTWFZKOZVLC-UHFFFAOYSA-N 317.235 2.953 0 40 DFAB C[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)s3)CC2)O1 78845684 HAGVXWJIONTPMN-SECBINFHSA-N 301.795 2.769 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 4650974 UVMZXUCARQBRNW-ZAZJUGBXSA-N 313.397 2.927 0 40 DFAB CCn1c(NC(=O)[C@H]2COc3ccccc3O2)nc2ccccc21 10543493 QBDXPGFYFBPLHX-MRXNPFEDSA-N 323.352 2.835 0 40 DFAB CCCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1 8040797 SATITEYRIZENKD-UHFFFAOYSA-N 315.435 2.953 0 40 DFAB NC(=O)Cc1csc(Nc2ncnc3cc(Cl)ccc23)n1 95434839 UEJNAIKHKWDDBX-UHFFFAOYSA-N 319.777 2.511 0 40 DFAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 58175009 FICQITLGUJDJEV-LBPRGKRZSA-N 307.419 2.750 0 40 DFAB O=C(NCCc1ccccc1)c1ccc(CN2CCCC2=O)cc1 44869077 DVVVQJQQLORQML-UHFFFAOYSA-N 322.408 2.782 0 40 DFAB COc1cccc(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1 101276533 ASJWRKSQBOYNAN-HNNXBMFYSA-N 314.316 2.578 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CC(F)(F)F 58266018 IRFVJHFOEKOFHX-ZJUUUORDSA-N 324.343 2.891 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101615993 XNXDJYRGTSBXOO-LNFKQOIKSA-N 315.339 2.993 0 40 DFAB CCN(CC)c1ccc(-c2nnc(SCCC(N)=O)o2)cc1 10323285 IPOOZBMKQQFXAF-UHFFFAOYSA-N 320.418 2.550 0 40 DFAB O=C(NCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 9995092 YITHNYZXJNWLHM-UHFFFAOYSA-N 322.286 2.960 0 40 DFAB COc1ccc(C(C)=O)cc1C[S@](=O)CC1CCOCC1 95439178 BXDJWDYWEBLBPY-NRFANRHFSA-N 310.415 2.573 0 40 DFAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1 95445469 ILDWDMDIZRLLML-WFASDCNBSA-N 317.389 2.833 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccccc2)CC1 57334571 NIRMOQCRVCFQCY-FUHWJXTLSA-N 315.461 2.504 0 40 DFAB COc1ccccc1CC(=O)Nc1cccnc1-n1ccnc1C 47174775 GAAUELFIFUYAFG-UHFFFAOYSA-N 322.368 2.766 0 40 DFAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(F)c(F)c1 12545518 DLVXFLHQEIORIZ-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB COc1ccc(NC(=O)COc2ccc(C)cc2C)c(N)c1 22051677 VTTDMTJFQKSWHR-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101615986 XNXDJYRGTSBXOO-ZDCRXTMVSA-N 315.339 2.993 0 40 DFAB CC(=O)N(CCCNC(=O)c1ccc2ccccc2n1)C(C)C 48315856 FMUHAYXTPLHLIW-UHFFFAOYSA-N 313.401 2.612 0 40 DFAB CC(C)CNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28233910 MNZMZGHZMDEKNI-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB O=C(Nc1cccc(I)c1)c1cccnc1 13003892 UMJXKEYVMKEBQA-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB Cc1cccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[nH]2)c1 4169530 WDZLOJMQDWKHRH-HNNXBMFYSA-N 321.384 2.782 0 40 DFAB COc1ccc(C(C)=O)cc1CSc1nc(C)cc(=O)[nH]1 5014379 ORVOQVBAAVFBKC-UHFFFAOYSA-N 304.371 2.582 0 40 DFAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccccn2)cc1 9365381 PZIJDOZKFWRRHG-YKWSONSWSA-N 310.353 2.759 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)Nc1nnc(C2CC2)s1 4324847 DCNKGVJCUMWANV-UHFFFAOYSA-N 318.358 2.831 0 40 DFAB CC(C)c1ccc2c(c1)CCCN2CCCNS(C)(=O)=O 65551994 JPTVFNDLBWVYMA-UHFFFAOYSA-N 310.463 2.502 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CCCN(c2ccccn2)C1 65538416 MRUDMQCZSPLOJT-JKSUJKDBSA-N 324.428 2.703 0 40 DFAB O=C(CN1CCSC1=O)Nc1cccc(C(F)(F)F)c1 14187449 XQYMJPHKTUCYJU-UHFFFAOYSA-N 304.293 2.813 0 40 DFAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 96442614 JTLDVPWBESCHBO-MRXNPFEDSA-N 309.365 2.892 0 40 DFAB COc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1OC 7213554 AONFGZDVACDFEE-UHFFFAOYSA-N 313.419 2.561 0 40 DFAB COc1ccc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)cc1 71882858 WKCPIWZAVWFHEO-INIZCTEOSA-N 310.397 2.633 0 40 DFAB CCOC1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 71821393 WUSQAZVAEAAWMH-UHFFFAOYSA-N 314.385 2.885 0 40 DFAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](C)Cn1cccn1 95949508 HPHNSUQILXTMJP-UONOGXRCSA-N 301.390 2.747 0 40 DFAB CCc1ccc([C@H](NC(=O)[C@H]2CSC(=O)N2)C(C)(C)C)o1 81402168 SBVPPHYXRHBGRB-PWSUYJOCSA-N 310.419 2.870 0 40 DFAB S=c1oc(-c2ccc(Cl)cc2)nn1CN1CCOCC1 19909921 WCEBBYISWRNMFR-UHFFFAOYSA-N 311.794 2.816 0 40 DFAB CCOC[C@@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 81610931 CAILXKHJNCPIPJ-GFCCVEGCSA-N 306.410 2.664 0 40 DFAB COCCN(CCN(C)C)C(=O)c1ccc(Cl)cc1Cl 83851029 XVBOIRPDEKXAKT-UHFFFAOYSA-N 319.232 2.644 0 40 DFAB CSc1ccccc1NC(=O)CN(C)c1nccc(C)n1 95975467 IIEFDOREYBOFTO-UHFFFAOYSA-N 302.403 2.582 0 40 DFAB O=C(OCc1nc2ncc(Br)cc2[nH]1)C1CCCC1 71910321 WCESKKPYRBRXCE-UHFFFAOYSA-N 324.178 2.954 0 40 DFAB C[C@H]1COCCN1C(=O)c1cnc2c(F)c(Cl)ccc2c1O 71911633 TYNVQJNDKZECRY-QMMMGPOBSA-N 324.739 2.594 0 40 DFAB COc1ccccc1C1(CNC(=O)c2cc(C3CC3)[nH]n2)CC1 69454750 IPXFWKNVOJKTQF-UHFFFAOYSA-N 311.385 2.757 0 40 DFAB O=C1NC2(CCSCC2)C(=O)N1C/C=C/c1ccccc1 69582223 BYVBCLBMPBKWGX-QPJJXVBHSA-N 302.399 2.517 0 40 DFAB C[C@@H]1CN(CC2CCCC2)CCN1C[C@H](O)c1ccccc1 69840449 YRCIFVHAXMVPQE-APWZRJJASA-N 302.462 2.916 0 40 DFAB Cc1cc(-c2nnc(CSc3nnnn3C3CC3)o2)c(C)o1 9864200 XDIVZJGVTSNXDE-UHFFFAOYSA-N 318.362 2.560 0 40 DFAB NC[C@@H](C(=O)N1CCc2c(F)ccc(F)c2C1)c1ccccc1 95971689 JLQCYSJIBLJBLA-CQSZACIVSA-N 316.351 2.592 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccncc1 75602128 HFCBYJXLSDXNTH-GFCCVEGCSA-N 304.781 2.754 0 40 DFAB CC(C)CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 9817483 WPPWUDCGOKKBST-UHFFFAOYSA-N 323.443 2.772 0 40 DFAB C[C@@H](CC(=O)N[C@@H](CC(=O)O)c1ccccc1)n1cccc1 95948414 JEYMXDJUHGXOPN-ZFWWWQNUSA-N 300.358 2.771 0 40 DFAB CC[C@@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 72294422 RBQSTUCJNYSTAL-OCCSQVGLSA-N 301.308 2.706 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1 72283024 MZEHQRDQUCKNQG-AWEZNQCLSA-N 314.389 2.612 0 40 DFAB Cc1cnn(CCC(=O)N2C[C@H](C)CN(C)c3ccccc32)c1 84265165 MGNPYHJSATWOGJ-OAHLLOKOSA-N 312.417 2.701 0 40 DFAB COc1cc(Cl)c(NC(=O)NCCn2cccc2)cc1OC 84299003 LLPCFUWODGKGIG-UHFFFAOYSA-N 323.780 2.980 0 40 DFAB CCOC(=O)c1cccnc1N1CC[C@@H](C)[C@H](n2ccnc2)C1 97140777 IVXSSOHIACQMRK-UKRRQHHQSA-N 314.389 2.542 0 40 DFAB Cc1cccc(CC(=O)OCC(=O)N[C@H]2CCc3ccccc32)c1 72331192 WZPPUDJZUKYQHS-SFHVURJKSA-N 323.392 2.884 0 40 DFAB CCCn1cc(-c2nn3c(CC(C)C)nnc3s2)c(C)n1 72404450 DETUBMXMDFQIRB-UHFFFAOYSA-N 304.423 2.966 0 40 DFAB COc1cccc(C2=CCN(CC(=O)N[C@@H](C)C3CC3)CC2)c1 95389977 SFFGTDLSWJBXDU-AWEZNQCLSA-N 314.429 2.699 0 40 DFAB CCOCCCNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 9909123 FNUGRSFECAIEPV-UHFFFAOYSA-N 318.402 2.818 0 40 DFAB CC(C)c1n[nH]c(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 75093761 YTRUDKVPEMJKRW-UHFFFAOYSA-N 323.356 2.740 0 40 DFAB Cc1ccc(-c2nc(CNc3cn[nH]c(=O)c3Cl)co2)cc1 75065452 DTJYRTTUCGXWHU-UHFFFAOYSA-N 316.748 2.999 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccccc1C 408706674 CIYLDOUNHUPTRA-HNNXBMFYSA-N 304.434 2.944 0 40 DFAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCN(C)C 38757257 KVQJUCZCPMFROM-INIZCTEOSA-N 300.402 2.675 0 40 DFAB CCCN1C(=O)[C@@]2(CC(O)=Nc3[nH]ncc32)c2cc(F)ccc21 31811473 IKMUXPDOUSVVQD-INIZCTEOSA-N 314.320 2.583 0 40 DFAB Cc1[nH]c2c(F)cccc2c(=O)c1I 72207190 HFMGNTOGJCDUID-UHFFFAOYSA-N 303.074 2.580 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCc2c(F)cccc21 184526627 MKFWGXJPIULMNQ-SNVBAGLBSA-N 302.353 2.701 0 40 DFAB Cc1cc(C[C@@H]2COC[C@H]2NC[C@H](C)c2ccccc2)on1 72395122 BBVZJKDYIWAGED-FDQGKXFDSA-N 300.402 2.934 0 40 DFAB Cc1cnc(NC(=O)C[C@@H]2CC(=O)Oc3ccccc32)s1 79491700 CPBSPGVTTIZVPZ-SNVBAGLBSA-N 302.355 2.873 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 123366500 OGTAAAIBHKSLGA-JBBRZBFTSA-N 306.446 2.930 0 40 DFAB COC(=O)[C@]1(Cc2ccccc2Br)CCCNC1 84749215 VNNAUTKKNUAYRH-AWEZNQCLSA-N 312.207 2.534 0 40 DFAB O=C1NCC[C@@H]1N1CCC(c2cccc(Br)c2)CC1 225633763 FVVONQGKXVYIHJ-AWEZNQCLSA-N 323.234 2.517 0 40 DFAB COCCCNC(=S)Nc1ccc(N2CCC[C@@H](C)C2)nc1 223889261 VGBCMJPENMTKQC-CYBMUJFWSA-N 322.478 2.641 0 40 DFAB COCC(C)(C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@H]1C 195577958 ZFJODCGLPKJSEQ-HOCLYGCPSA-N 305.418 2.865 0 40 DFAB CCOC(=O)C[C@H](C)Sc1ncc(Br)cn1 96406558 DGLGCBXUJUGJEH-ZETCQYMHSA-N 305.197 2.673 0 40 DFAB CCOC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cnn(C)c21 96198263 XAVKYZUEQTVHRA-INIZCTEOSA-N 317.433 2.773 0 40 DFAB CCOc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1 95097195 CVXLZBHMJIGFNQ-UHFFFAOYSA-N 306.387 2.902 0 40 DFAB COc1ccc(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c(OC)c1 96439134 FCNOVOWIVXSHFC-GASCZTMLSA-N 316.401 2.811 0 40 DFAB O=C(c1ccc[nH]1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 96214908 FLYNTEVQYKYPRJ-LJQANCHMSA-N 324.428 2.681 0 40 DFAB Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 96047172 DMAFELXCNMXSFD-KRWDZBQOSA-N 316.380 2.701 0 40 DFAB CC(=O)N1CC2(CCN(C(=O)C3CC3)CC2)c2cc(C)ccc21 96241372 VFIPDJCITXJGJG-UHFFFAOYSA-N 312.413 2.632 0 40 DFAB Cc1ncc(C(=O)NCCc2ccc(OC(C)C)cc2)c(C)n1 96494557 FQMFGMUARIFCTP-UHFFFAOYSA-N 313.401 2.853 0 40 DFAB C[C@@H](C(=O)NCCNC(=O)C1CCCCC1)c1cccc(F)c1 96425033 LKNAEPBQRHAGDN-CYBMUJFWSA-N 320.408 2.742 0 40 DFAB CC[S@@](=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 96489751 WVQDNGPLIAMHND-INIZCTEOSA-N 315.243 2.536 0 40 DFAB COCCOC[C@H]1CCN(C(=O)c2cccc3ccccc23)C1 96431795 AQPZMBJDYNVKQM-HNNXBMFYSA-N 313.397 2.965 0 40 DFAB COCCN1CCCC12CCN(C(=O)C1CCCCC1)CC2 96075225 PWTKRCKNERQOCK-UHFFFAOYSA-N 308.466 2.670 0 40 DFAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1 96054182 DCURVGUAFJATRT-CABCVRRESA-N 300.358 2.609 0 40 DFAB O=C(CCc1ccc2c(c1)CCO2)NCc1nc2ccccc2[nH]1 95478147 FHKZKSSFVLGGBL-UHFFFAOYSA-N 321.380 2.747 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(Cc1ccccc1OC)C2 96039136 KVTRGWAYQHOSKL-MSOLQXFVSA-N 305.418 2.713 0 40 DFAB Cc1ccccc1[C@H](NC(=O)N[C@H](CCO)C1CC1)C1CC1 95401095 HSVWFAYCGOHOHK-IAGOWNOFSA-N 302.418 2.906 0 40 DFAB CN(C)CCNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 96501365 WVWGTSYTZYHNFV-UHFFFAOYSA-N 315.364 2.825 0 40 DFAB COCC[C@H]1CO[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96222158 TUMJZRGRRCNDCJ-CJNGLKHVSA-N 309.431 2.796 0 40 DFAB NC(=O)[C@@H](NCc1ccccc1OCC1CC1)c1ccccc1 96417568 FONIAQCYQVZXCW-SFHVURJKSA-N 310.397 2.792 0 40 DFAB Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)o1 96061775 QCEWSCQCQUDXCB-UHFFFAOYSA-N 302.422 2.641 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)cc2NC1=O 248049943 WSWMHCPVWMWGRV-MHDGFBEUSA-N 324.380 2.947 0 40 DFAB O=C(O)c1ccccc1-c1ccc(Cn2ccccc2=O)nc1 257270998 MWKYFUPCBKKXRQ-UHFFFAOYSA-N 306.321 2.657 0 40 DFAB Cc1cc2nccc(C3CCN(Cc4ccncc4)CC3)n2n1 257302677 SDVJSOYBTDQWCK-UHFFFAOYSA-N 307.401 2.812 0 40 DFAB C[C@H](CN1CCCC[C@H]1[C@H]1CNC(=O)C1)c1ccc(F)cc1 252586348 PIBFFSIGIXQXPI-UNEWFSDZSA-N 304.409 2.920 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CN(C)[C@H](c3ccccc3)[C@H]2C1 253369882 JJEKECXQHKCQAY-RYQLBKOJSA-N 309.413 2.698 0 40 DFAB CNc1cc([C@@H]2CCCN(C(=O)c3cscn3)C2)ccn1 257294774 QVQYTFYZCUUUHF-GFCCVEGCSA-N 302.403 2.600 0 40 DFAB CCC(=O)N1CC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 257287881 PRWIBCQTYRVENO-CQSZACIVSA-N 311.389 2.915 0 40 DFAB Cn1cc([C@@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)cn1 681293873 CHVIFZJBFGWKSG-MRXNPFEDSA-N 322.412 2.781 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1OC 31098287 JVPBLUUDICWFRK-CQSZACIVSA-N 316.357 2.559 0 40 DFAB CS[C@H]1CCC[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 83990511 VYCDRSMJVHPBIA-KGLIPLIRSA-N 308.451 2.514 0 40 DFAB COC(=O)C(=O)c1cc(Br)ccc1Br 159213747 IDTVWEDBALFPSU-UHFFFAOYSA-N 321.952 2.567 0 40 DFAB in-vitro Cc1ccc(C(=O)N[C@H](c2n[nH]c(=S)n2C)C(C)C)cc1 5504439 VDZDYEQEBPUPTR-LBPRGKRZSA-N 304.419 2.913 0 40 DFAB O=C(O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc2O1 13434702 JLQGPWVNSRUECB-AWEZNQCLSA-N 317.728 2.832 0 40 DFAB CC(C)(C)c1n[nH]c(Nc2ccc(Br)cc2)nc1=O 16777029 SKEQRMBPNKZLLB-UHFFFAOYSA-N 323.194 2.969 0 40 DFAB CCn1ccnc1N1CCN(C(=O)CCC2CCCCC2)CC1 12444547 RIHDRWNIIFLPRA-UHFFFAOYSA-N 318.465 2.912 0 40 DFAB O=C(CCC(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888842640 GQRHCVIWWMRQIC-QWRGUYRKSA-N 301.312 2.920 0 40 DFAB CCc1ccc(CN(C)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 23624567 AUVMHQYEZKXAED-INIZCTEOSA-N 317.433 2.605 0 40 DFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)nc1 339768 RBCSRZTXJRCKHA-JTQLQIEISA-N 308.790 2.875 0 40 DFAB CCc1cc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)ncn1 2087130535 PENQJPOPGXUIPO-CQSZACIVSA-N 304.438 2.512 0 40 DFAB O=C(Nc1ccc(Cl)cc1)N1CC[C@@H](Oc2ccncn2)C1 575610734 OTCUFFFPEHZKTF-CYBMUJFWSA-N 318.764 2.815 0 40 DFAB Cc1nccc(O[C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 575607347 BLHZVXURJKUMEK-OAGJVSPASA-N 323.396 2.868 0 40 DFAB CSc1ncccc1C(=O)NC[C@@](C)(O)Cc1ccsc1 618257329 VVGPOXXOYYYVTH-HNNXBMFYSA-N 322.455 2.589 0 40 DFAB CSc1nc(C)cc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298175220 QTTZQCBKTFWUGN-LBPRGKRZSA-N 322.478 2.638 0 40 DFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 101519097 BUZQWPPKRJRADC-HOTGVXAUSA-N 309.369 2.611 0 40 DFAB COc1ccc([C@@H]2CCCN2Cc2nc(C)no2)cc1OC 40067068 KAYKQTNBASZCFP-ZDUSSCGKSA-N 303.362 2.732 0 40 DFAB COC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C 385167 KOTWITLDJHPQKP-UHFFFAOYSA-N 324.340 2.858 0 40 DFAB Cc1nc(-c2coc3c4c(ccc3c2=O)OCCO4)cs1 301221 RSFOOLLUULOBTQ-UHFFFAOYSA-N 301.323 2.996 0 40 DFAB biogenic O=C(c1cc(-c2ccco2)on1)N1CCO[C@H]2CCCC[C@@H]21 41109488 ATTTYCPOLRBFFT-STQMWFEESA-N 302.330 2.718 0 40 DFAB CN1CCC(CNC(=O)c2ccc(Br)cc2)CC1 23013672 AHPCNSGYSQDQOD-UHFFFAOYSA-N 311.223 2.521 0 40 DFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1 51798 WQABQPXDIQJIFM-KRWDZBQOSA-N 315.344 2.616 0 40 DFAB CCOC(=O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 42665722 CVUOSZUMVDTHQS-OAHLLOKOSA-N 311.809 2.649 0 40 DFAB Cc1noc(COc2ccccc2C(=O)NCc2ccccc2)n1 23774000 KKPRYSZOOHZEOM-UHFFFAOYSA-N 323.352 2.887 0 40 DFAB O=S(=O)(c1cccs1)N1CCO[C@@H](c2ccccc2)C1 12441564 PIXOECXAJDLCSK-CYBMUJFWSA-N 309.412 2.510 0 40 DFAB C[C@H]1CC[C@@H](CCC(=O)Nc2sccc2C(=O)NC2CC2)O1 78949565 FXXCAUOOEZHOJX-JQWIXIFHSA-N 322.430 2.927 0 40 DFAB Oc1cnnc2c(Br)cc(Br)cc12 1728137 ZPGZUQYUALVEMZ-UHFFFAOYSA-N 303.941 2.860 0 40 DFAB COCc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccccc2)n1 1388915 CXNUJSZIOHGAHF-KBPBESRZSA-N 313.401 2.904 0 40 DFAB Cc1noc([C@H]2CCCN([C@H](C)c3nc(C(C)(C)C)no3)C2)n1 106827926 WTGPHDMPPPTIBL-PWSUYJOCSA-N 319.409 2.999 0 40 DFAB CC(C)c1nnc(NC(=O)NC[C@H]2Cc3ccccc3O2)s1 43696544 YTCUXOAFCDPSEI-LLVKDONJSA-N 318.402 2.787 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N(CCO)CC1CC1 95405322 WLGXTZUVWPAWFH-INIZCTEOSA-N 306.381 2.691 0 40 DFAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 57975540 QNHGCPIDBMLUBL-NSHDSACASA-N 322.327 2.599 0 40 DFAB Cc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 52754378 WWXCHXHWQDNMBJ-ZDUSSCGKSA-N 317.410 2.890 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@H]2C)cc1 12541999 OUXACBMLHFAWTB-QBIMZIAESA-N 305.418 2.797 0 40 DFAB Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1ccccc1 10273042 GIQDJCMRKLMOHU-UHFFFAOYSA-N 322.303 2.706 0 40 DFAB CCN1CC[C@@]2(CCCN(C(=O)c3cccc(C)c3)CC2)C1=O 108529114 MTIBVXLCZVRHEI-LJQANCHMSA-N 314.429 2.860 0 40 DFAB CCOc1cc2c(c3[nH]c(C(=O)N(C)OC)cc13)O[C@H](C)C2 58264713 NQMIQFGPYMIOBB-SECBINFHSA-N 304.346 2.523 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2)no1 58281902 CSWFITDBMJBVKH-KRWDZBQOSA-N 313.401 2.779 0 40 DFAB CC(C)(NC(=O)c1ccc(N2CCCC2)nc1)c1nccs1 116234168 LQKSBHZQRXZPKY-UHFFFAOYSA-N 316.430 2.803 0 40 DFAB NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 25033279 RWCVXWZMONOCCV-UHFFFAOYSA-N 309.822 2.614 0 40 DFAB Cc1cc(C)cc(CSCCN2C(=O)NC(C)(C)C2=O)c1 45009180 XBZDFAVFEWZLFG-UHFFFAOYSA-N 306.431 2.867 0 40 DFAB O=C(CCNc1ncccn1)N1CCC(Cc2ccccc2)CC1 58490113 PRJOXVYRGVTTTO-UHFFFAOYSA-N 324.428 2.760 0 40 DFAB COc1ccc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)cn1 58430959 VICKBDUWUOWADJ-UHFFFAOYSA-N 322.796 2.667 0 40 DFAB CCc1[nH]c(C(=O)Nc2ncc(C)s2)c(C)c1C(=O)OC 10623855 SETMQVJMZGBMKF-UHFFFAOYSA-N 307.375 2.689 0 40 DFAB COc1cccc2cc([C@H](C)N[C@@H](CO)c3cnn(C)c3)oc12 97034808 OHRUXYDBDISSBK-FZMZJTMJSA-N 315.373 2.559 0 40 DFAB Cc1csc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)n1 3222640 LXMJDCKLTBSKGY-ZDUSSCGKSA-N 317.414 2.845 0 40 DFAB COCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 72288392 SHVZYIOKKBFLKI-QZTJIDSGSA-N 316.445 2.679 0 40 DFAB O=C(COC(=O)c1cccnc1Cl)NCCC1=CCCCC1 3241289 ZLOIEACDAPJQKK-UHFFFAOYSA-N 322.792 2.899 0 40 DFAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1OCC 61035572 STOVCEYXDNRSAL-UHFFFAOYSA-N 301.408 2.515 0 40 DFAB Cc1ccc2nc(C(=O)N3CCN(c4ccccc4)CC3)cn2c1 12323838 UDQRXGGJPHLLSG-UHFFFAOYSA-N 320.396 2.605 0 40 DFAB CCOc1ccc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)cc1 12602713 IATVNMNTSFNYFH-XFXZXTDPSA-N 321.354 2.596 0 40 DFAB O=C(CCN1CCSC1=O)N[C@@H]1CCCc2ccccc21 12686706 KKPHOKYUAWOWLE-CQSZACIVSA-N 304.415 2.739 0 40 DFAB CCC1(O)CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 72297692 FWAGXNLXNOCYBP-GFCCVEGCSA-N 311.809 2.871 0 40 DFAB CNC(=O)c1cccc(CNC(=O)c2cccc3cccnc23)c1 25622916 HPNWGXMYJWELHK-UHFFFAOYSA-N 319.364 2.524 0 40 DFAB O=C(NCCN1CCc2sccc2C1)c1cc(F)cc(F)c1 48363044 MYLZISPYKPTNIG-UHFFFAOYSA-N 322.380 2.814 0 40 DFAB CC(C)(C)c1nnc(NCc2ccccc2N2CCOCC2)o1 97114479 HVXZQCPOTVQNDI-UHFFFAOYSA-N 316.405 2.816 0 40 DFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC2(Cl)Cl)cc1C 3425349 HWTNHPCNJBSKER-LLVKDONJSA-N 316.184 2.979 0 40 DFAB C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)NC1CC1 97140124 ZZLUVDRBIWFGDQ-NSHDSACASA-N 318.808 2.664 0 40 DFAB Cc1n[nH]cc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 97159337 JTZKPUJKJQSCND-QGZVFWFLSA-N 301.390 2.976 0 40 DFAB C/N=c1\sc2ccccc2n1C[C@@H](O)COc1ccccc1 13116172 JUXWZYZYZPAEDB-XAGMJWQQSA-N 314.410 2.673 0 40 DFAB CC(C)Oc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1 49230182 JFDUHVSAPCRLMP-DOMZBBRYSA-N 304.390 2.575 0 40 DFAB COc1cc(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)on1 97108238 JIAGVUOINNESCP-NSHDSACASA-N 312.329 2.741 0 40 DFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1 4392679 WRIGZSWXDLXEHU-MRVPVSSYSA-N 322.213 2.757 0 40 DFAB COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cn1 65412543 GJGNGNHJSCRNIC-LBPRGKRZSA-N 319.361 2.891 0 40 DFAB CC(C)(C)c1cnc(Cn2nc(-c3ccc(F)cc3)oc2=O)o1 65594532 BMNBVUWCJIATME-UHFFFAOYSA-N 317.320 2.976 0 40 DFAB Cc1cc(C)c(CN[C@H]2CCCc3c2cnn3CCO)c(C)c1 65538718 SLIFACYEZFQXDK-SFHVURJKSA-N 313.445 2.968 0 40 DFAB c1cncc(CNc2nc3sc4c(c3c3ncnn23)CCC4)c1 5516370 JXRQAMTVFSWNGV-UHFFFAOYSA-N 322.397 2.835 0 40 DFAB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccco1 5531050 IXYXHWDUCWUILS-NSHDSACASA-N 312.325 2.623 0 40 DFAB Cc1ccc(NC(=O)COc2cn(-c3ccccc3)nn2)cc1 6850549 NBOCQXHDSLCBRR-UHFFFAOYSA-N 308.341 2.593 0 40 DFAB CCNc1nnc(S[C@H](C)C(=O)N2CCC(C)CC2)s1 9446072 WXLDLCWBOCOJHI-SNVBAGLBSA-N 314.480 2.709 0 40 DFAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3F)nn2)cc1C 67261884 LXUDYPMZJHPFSM-UHFFFAOYSA-N 324.359 2.953 0 40 DFAB Cc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 7192307 HUIAUVMOPSEMNU-UHFFFAOYSA-N 323.447 2.889 0 40 DFAB Cc1cc(C)c(C(=O)O[C@H]2c3ccccc3OC[C@@H]2C)c(=O)[nH]1 97374971 CZQMEKHZJRGZEQ-MEDUHNTESA-N 313.353 2.918 0 40 DFAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)CCc1ccccc1 97375766 RIPQDHSWPAPTFN-HNNXBMFYSA-N 312.344 2.529 0 40 DFAB C[C@H](NCc1cccc(O)c1)c1ccc(NS(C)(=O)=O)cc1 71850025 QKQDTTHGTRUTAO-LBPRGKRZSA-N 320.414 2.615 0 40 DFAB NC(=O)COc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 71837029 SYZMUMIRPYVVMO-UHFFFAOYSA-N 322.767 2.633 0 40 DFAB CCN(CC(=O)Nc1ccc(F)cc1Cl)C[C@@H]1CCOC1 71908287 PVKVGVFFOMNGMP-NSHDSACASA-N 314.788 2.776 0 40 DFAB C[C@](O)(CNc1ncc(Br)cn1)C1CCCC1 71904256 FOKLKYPRSHBRQC-LBPRGKRZSA-N 300.200 2.592 0 40 DFAB C/C=C/C=C/C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 69459121 WKFCKKQOBNAXFF-MDKMNWBFSA-N 317.364 2.680 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2c(C)c(C)nn2C)c(Cl)c1 69563557 GUDWZJIOUUUJGB-UHFFFAOYSA-N 313.810 2.800 0 40 DFAB O=C(OCCOCC(F)(F)F)c1ccc2c(c1)OCCCO2 69660621 FWEDNNHJKLYYLI-UHFFFAOYSA-N 320.263 2.584 0 40 DFAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](n2ccnc2)C1 69742226 SRGIYDOBYVGEMK-LBPRGKRZSA-N 312.329 2.608 0 40 DFAB COc1ccc2c(ccn2CC(=O)N[C@H]2CCOC(C)(C)C2)c1 70666405 JZCZTDHONVEZFG-AWEZNQCLSA-N 316.401 2.724 0 40 DFAB biogenic c1ccc(-n2cnc(COc3ccc4nccnc4c3)n2)cc1 92334106 MTQWFMUEYJOQCM-UHFFFAOYSA-N 303.325 2.790 0 40 DFAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1=COCCO1 8744746 LAEAMCXPMIYBTI-UHFFFAOYSA-N 313.357 2.589 0 40 DFAB O=C(NC1CCCCC1)c1ncn(-c2ccc(Cl)cc2)n1 8715355 OOJBUNGZKXZKDH-UHFFFAOYSA-N 304.781 2.983 0 40 DFAB C[C@H](NC(=O)c1cc(O)nc(Cl)c1)[C@H]1COc2ccccc21 95469375 IVZREKCNNHOMQR-JOYOIKCWSA-N 318.760 2.735 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)s1 8962481 LJIYNSYZZHJSHI-UHFFFAOYSA-N 322.411 2.742 0 40 DFAB Cc1[nH]ccc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 84028675 RLRKJWOUVDEJGC-UHFFFAOYSA-N 321.421 2.890 0 40 DFAB Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCCSC3)CCO2)o1 95438130 UBEIAMMYVADCLR-OCCSQVGLSA-N 310.419 2.567 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)N(Cc1ccoc1)C1CC1 1548453661 UWTREZBZVQXACA-NSHDSACASA-N 302.378 2.757 0 40 DFAB CS[C@@H](C)CC(=O)Nc1ccccc1CN1CCC(O)CC1 95986077 LVJIVUVLQJYHPQ-ZDUSSCGKSA-N 322.474 2.723 0 40 DFAB O=C(NCC[C@H]1CCCO1)Nc1nc(-c2ccccc2)ns1 95955690 ISIYKYXJXPDDGO-GFCCVEGCSA-N 318.402 2.896 0 40 DFAB CSc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)o1 95980321 DNVKVBWAJZVXPS-LLVKDONJSA-N 321.402 2.555 0 40 DFAB Cc1ccnc([C@H](NC(=O)[C@H]2OCCc3ccccc32)C2CC2)n1 95986968 VJAHMECSSMVFRK-SJORKVTESA-N 323.396 2.666 0 40 DFAB CCOc1ccc(NC(=O)c2cnc(CC)s2)cc1CO 95977741 TYRXVWZYCUFEBS-UHFFFAOYSA-N 306.387 2.849 0 40 DFAB Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)n1 95965413 PDPXGQBLHFRIFJ-INIZCTEOSA-N 324.380 2.504 0 40 DFAB O=C(NCCOc1cccnc1)N[C@@H]1CCCc2sccc21 95944850 WGGABTJXXYHJFU-CQSZACIVSA-N 317.414 2.899 0 40 DFAB COc1ccccc1C(=O)NC1CCN(C2CCCC2)CC1 74914470 BNTDNZBUEBTRKZ-UHFFFAOYSA-N 302.418 2.832 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nccn2C(F)F)c1C 9914498 VVRZKDFPDDMDCL-UHFFFAOYSA-N 311.288 2.783 0 40 DFAB Cc1cc(C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)[nH]n1 89568609 VZSOMFDBCIDXGA-MRXNPFEDSA-N 319.380 2.689 0 40 DFAB Cc1ccccc1[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 89689197 HIOVZDGHEZMWHM-ZBFHGGJFSA-N 320.433 2.627 0 40 DFAB O=C(Nc1cc(-n2cccc2)ccc1F)N[C@@H]1C=C[C@H](CO)C1 89878824 FFUVOKANRWOBEH-QWHCGFSZSA-N 315.348 2.675 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1F 89949081 SSLIANGJUBGBFZ-DYVFJYSZSA-N 304.409 2.952 0 40 DFAB CN(C(=O)Cc1csc2ccc(Cl)cc12)[C@H]1CCNC1 562976240 IVPGNWSPLZIBQI-LBPRGKRZSA-N 308.834 2.918 0 40 DFAB Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccccn3)C2)s1 131203917 PRYDWYFOAOGLQB-CQSZACIVSA-N 315.442 2.779 0 40 DFAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@@H]1CC[C@@H](O)C1 195578362 GYYVDEKEWAHVAN-IXDOHACOSA-N 304.434 2.776 0 40 DFAB CC(C)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 222910120 AVASEKBDZSXZNI-WJDWOHSUSA-N 312.369 2.823 0 40 DFAB CCO[C@@H]1C[C@@H](Nc2cccc(CC(=O)OC)n2)C12CCC2 195002639 JTXAAZASSQCNFI-ZIAGYGMSSA-N 304.390 2.557 0 40 DFAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC2CC2)n1 226004250 JOSJECTUSXYVDX-NSHDSACASA-N 305.451 2.613 0 40 DFAB NNc1ncnc2c1cnn2-c1ccc(-c2ccccc2)cc1 85398079 VDADBQRSOWOELY-UHFFFAOYSA-N 302.341 2.768 0 40 DFAB C[C@]1(NS(=O)(=O)c2ccc3c(c2)CCCO3)CC=CCC1 333926748 VSQASMRBUJBXIS-INIZCTEOSA-N 307.415 2.789 0 40 DFAB Cc1ccsc1CNC(=O)N1CC[C@@H](Oc2cccnc2)C1 96474793 KOUNVVZBDGLIHZ-CQSZACIVSA-N 317.414 2.814 0 40 DFAB Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)s1 96042104 JCDPDZYNZRPRBI-OFQRWUPVSA-N 321.442 2.855 0 40 DFAB Cc1cnc2c(c1)N(C(=O)[C@H]1CCc3ccccc3O1)CCO2 333137228 KJGHGMUBNBXOOX-MRXNPFEDSA-N 310.353 2.509 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)s1)[C@H]1C[C@H]1c1ccco1 96441152 WELXDEIJPROKNE-UTLUCORTSA-N 311.790 2.948 0 40 DFAB CCOC[C@H]1CCCN(C(=O)c2cccnc2NC(C)C)C1 96436545 UAQLLVQXUZNKGH-AWEZNQCLSA-N 305.422 2.791 0 40 DFAB c1cn(-c2ccc(CSCc3nnnn3C3CC3)cc2)cn1 96448016 YUDJTWYAVAOWRQ-UHFFFAOYSA-N 312.402 2.627 0 40 DFAB CC[C@@H](c1ccncc1)N(C)C(=O)NCCCn1cc(C)cn1 96415447 HMPXVZUQHMNTCC-INIZCTEOSA-N 315.421 2.769 0 40 DFAB CCn1cnnc1CNC(=O)Nc1ccc(OC(C)C)c(C)c1 96435276 NLUQOSBYUYFWOE-UHFFFAOYSA-N 317.393 2.715 0 40 DFAB CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 96409221 ZYPLATZMIXUEDJ-ZBFHGGJFSA-N 306.450 2.674 0 40 DFAB Cc1oc(CN2CCOC[C@H]2c2ccccc2)cc1C(=O)O 581016968 MICBVSBDEGHKHO-INIZCTEOSA-N 301.342 2.860 0 40 DFAB O=C(NCCCCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 230399450 KOYFQSLTABANRV-LUKYLMHMSA-N 313.397 2.648 0 40 DFAB Cc1nc(C(=O)NCCCc2nc3ccccc3n2C)cs1 96411681 ITVOJZBZQRVROP-UHFFFAOYSA-N 314.414 2.701 0 40 DFAB 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Cc1cccc(/C=C/C(=O)N2CCC(NC(=O)C3CC3)CC2)c1 42003211 RUAFCSCXIIFBDR-VMPITWQZSA-N 312.413 2.525 0 40 DFAB C[C@@H](O)c1ccc(CNC(=O)NCc2ccccc2F)cc1 53755748 VNZUGKHIAFOZKL-GFCCVEGCSA-N 302.349 2.878 0 40 DFAB CC(=O)N[C@@H](CC(=O)NC1CCCC1)c1ccc(Cl)cc1 22872973 QDTOTHAUAIYAQO-HNNXBMFYSA-N 308.809 2.966 0 40 DFAB C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 42463939 YYBUJSMNOJGESV-YOEHRIQHSA-N 314.429 2.555 0 40 DFAB CCn1nc(C)cc1C(=O)OC[C@H]1CCN(c2ccccc2)C1 78948494 NKOFDOKNBIHHEA-HNNXBMFYSA-N 313.401 2.895 0 40 DFAB O=C(CCc1c[nH]c2ccccc12)N1CCOc2ncccc21 79013727 ANSBABYCMZJSIS-UHFFFAOYSA-N 307.353 2.921 0 40 DFAB CS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1 1397772 BKRRXZPEUGXADX-UHFFFAOYSA-N 317.292 2.643 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 4180849 OVPFRCGBPWBEEM-XDNAFOTISA-N 323.392 2.825 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(C2CC2)cs1 25558528 NEDDVVFEYQTVTK-UHFFFAOYSA-N 316.382 2.973 0 40 DFAB C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@H]2CCCC[C@H]21 107360287 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45032481 QXZOLJHEYMENTN-UHFFFAOYSA-N 311.385 2.953 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)CCc2cnn(C)c2)[nH]n1 51436826 NLIZXOOQVPDHBM-UHFFFAOYSA-N 309.373 2.690 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N3C[C@H](C)OC[C@@H]3C)c2)cs1 45448499 UCPKIDTWBRMSOF-UWVGGRQHSA-N 305.403 2.696 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H](C)OC[C@@H]3C)c2)cs1 45448500 UCPKIDTWBRMSOF-VHSXEESVSA-N 305.403 2.696 0 40 DFAB COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccnc2)cc1 36559143 RNTWVMBFLINMBE-OAHLLOKOSA-N 320.352 2.750 0 40 DFAB Cc1cccc(-n2ccnc2SCCS(C)(=O)=O)c1C 45528154 HTLXQVFPBBZZTI-UHFFFAOYSA-N 310.444 2.626 0 40 DFAB CN(CCO)C(=O)c1ccc(OCc2ccc(F)c(F)c2)cc1 95402975 DMMCXPYIUDPAKP-UHFFFAOYSA-N 321.323 2.608 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc[nH]c1=S 11404949 UFOAOKAIWPIYDO-UHFFFAOYSA-N 302.355 2.745 0 40 DFAB Cc1csc(NC(=O)c2ccc(Cn3ccccc3=O)o2)n1 29414722 KUWRWYXFKMSVKV-UHFFFAOYSA-N 315.354 2.507 0 40 DFAB COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 2581314 BJHWCUFAXSXPNZ-UHFFFAOYSA-N 305.355 2.699 0 40 DFAB 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CC[C@@H](O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 97238114 JQPUYNXYUXHQQI-RISCZKNCSA-N 303.324 2.850 0 40 DFAB CC(C)CN(C(=O)CN1C(=O)CC2(CCCCC2)C1=O)C(C)C 95360782 RWVCDENOVVQADF-UHFFFAOYSA-N 322.449 2.589 0 40 DFAB COc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1F 84714813 RDIMFZSRFYVCOU-MLGOLLRUSA-N 320.408 2.571 0 40 DFAB O=C(N[C@H]1COc2ccccc2C1=O)C1CCC(F)(F)CC1 95986933 MIKMQHKGENQEJN-LBPRGKRZSA-N 309.312 2.572 0 40 DFAB COc1ccccc1N1CC[C@@H](NCc2cccc3cn[nH]c23)C1 95990160 BOANDGAYPRDBKS-MRXNPFEDSA-N 322.412 2.940 0 40 DFAB Cc1cc(N)nc(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)n1 74341188 HRXBBLCURJAPEA-OCCSQVGLSA-N 322.478 2.885 0 40 DFAB Clc1ccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)cc1 86252207 ASQJOASVVHLXEN-QGZVFWFLSA-N 319.836 2.831 0 40 DFAB Cc1[nH]c(=O)ccc1C(=O)NCC(C)(C)c1cccc(F)c1 89537008 VMNMOFKFQURZRM-UHFFFAOYSA-N 302.349 2.530 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCc2[nH]ncc21 89764902 LATRUHGUOMYCNB-UONOGXRCSA-N 317.433 2.828 0 40 DFAB C[C@H]1CN(C)CCN1C(=O)c1ccccc1Oc1cccnc1 89938678 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O=C1CSC(SCC(=O)Nc2ccc(Cl)cc2)=N1 33688011 ZWGLBDBVQQVKRL-UHFFFAOYSA-N 300.792 2.641 0 40 DFAB CCCCNC(=O)c1snc(-c2ccc(OC)cc2)c1N 62007084 MUWIICKJOOPRRH-UHFFFAOYSA-N 305.403 2.931 0 40 DFAB COC(=O)c1cc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F 36394235 VDZVKQGFLWJSLR-XHDPSFHLSA-N 322.380 2.719 0 40 DFAB Cc1ncc(CN(C)C[C@@H](O)COCc2cccs2)s1 44974902 AEJYFPRMRAURJG-GFCCVEGCSA-N 312.460 2.523 0 40 DFAB C[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccccc1Cl 44790685 UJUZFKWFPBPLMV-GFCCVEGCSA-N 308.809 2.861 0 40 DFAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)cc(OC)c1OC 49549345 KFSZRIKZVIENDO-SNVBAGLBSA-N 317.345 2.570 0 40 DFAB N[C@H]1C[C@H](NC(=O)c2ccc(C3CCOCC3)cc2)C12CCC2 1580163042 IWXUJDYSIOUKGO-IRXDYDNUSA-N 314.429 2.580 0 40 DFAB O=C(CCn1ncc2c(Cl)cccc21)NCc1cccnc1 40759421 DWTDQSOAIKUQDT-UHFFFAOYSA-N 314.776 2.791 0 40 DFAB CN1C(=O)[C@@](C)(C(=O)N2CCCCCC2)Sc2ccccc21 40774684 JWLZXFATKVMKHT-KRWDZBQOSA-N 318.442 2.916 0 40 DFAB O=C(O)c1ccc(NC(=S)NC[C@@H]2CCCO2)c(Cl)c1 225156038 WVLTXYNTRANICJ-VIFPVBQESA-N 314.794 2.504 0 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316.401 2.683 0 40 DFAB COc1ccc(NC(=S)NCCCSC)c(OC)c1 3329247 YTERYZKTLYJUBB-UHFFFAOYSA-N 300.449 2.743 0 40 DFAB O=C(NC(=S)N1CCc2ccccc2C1)c1cccs1 4934870 KUYUQECQKUOLSZ-UHFFFAOYSA-N 302.424 2.821 0 40 DFAB COc1cccc(C(N)=O)c1OCCOc1ccc(C)cc1 21471885 DNZZRUQUGDUILO-UHFFFAOYSA-N 301.342 2.560 0 40 DFAB COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(O)c1 26844938 RNDUFUCWNLRHTQ-UHFFFAOYSA-N 313.762 2.855 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1 35306770 ULCHXSDWVXDCPI-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB Oc1cc([C@H]2CCCCN2Cc2cncs2)nc2nccn12 2037716145 HSFCPXRRMYRYJE-CYBMUJFWSA-N 315.402 2.619 0 40 DFAB Cc1ncnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)c1C 2087127143 UHRASKGGGGXRTB-CQSZACIVSA-N 304.438 2.567 0 40 DFAB CCCNC(=O)CSc1nccn1Cc1ccc(OC)cc1 4248779 XKCWGPWMKWCUDU-UHFFFAOYSA-N 319.430 2.558 0 40 DFAB COc1ccc(-c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)cc1 15110168 DBWSAYUVIMWWJL-UHFFFAOYSA-N 322.368 2.594 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 16916611 SRTXYGKRVQZMAU-UHFFFAOYSA-N 310.353 2.857 0 40 DFAB OC1=c2c(-c3ccc(Cl)cc3)csc2=N[C@@H]2CCCN12 104188781 FDJXRWIYCRVSBI-LBPRGKRZSA-N 304.802 2.747 0 40 DFAB CC[C@H]1[C@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 105381592 RLAKWLFUMAABBE-ZLSUJJLUSA-N 324.424 2.911 0 40 DFAB biogenic Cc1ccc(CNC(=O)CCc2nc(-c3ccccn3)no2)cc1 31491506 UATJEWRJUMYARU-UHFFFAOYSA-N 322.368 2.689 0 40 DFAB Cc1cc(C)c(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1C 40478884 BMAAAFHREIULEY-UHFFFAOYSA-N 308.355 2.877 0 40 DFAB O=C(Nc1ccccc1F)N1CCN(Cc2ccccn2)CC1 20467280 PAEZIFMJBLCIJG-UHFFFAOYSA-N 314.364 2.570 0 40 DFAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCc1ccccc1F 32484358 YAPXTSXNPQQJGY-CMDGGOBGSA-N 301.365 2.548 0 40 DFAB Clc1ccccc1[C@@H]1C[C@H](c2cccnc2)Nc2nnnn21 21653270 SWJCVZZCNYJBBG-KGLIPLIRSA-N 312.764 2.868 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H]1CCOC1 41365846 DDZOWCKBIVUCFA-AWEZNQCLSA-N 316.426 2.809 0 40 DFAB CC(C)C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1 41566919 UAVRUEMGDUXXGR-LLVKDONJSA-N 314.179 2.737 0 40 DFAB COc1cc(NC(=O)[C@@H]2CCCCN2)ccc1OCC(C)C 541509 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1661072 SQWUFHKFDFMZNV-UHFFFAOYSA-N 308.422 2.850 0 40 DFAB CC(C)n1nc(CC(=O)Nc2ccncc2)c2ccccc2c1=O 79489932 LLVXSOMLNUWPGD-UHFFFAOYSA-N 322.368 2.554 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 43545237 JNNOCOXOWIPRCG-RYUDHWBXSA-N 318.398 2.567 0 40 DFAB O=C(c1ccc(N2CCOCC2)cc1)N1CCc2ccccc2C1 7504945 MQYUWWNYTAMKKE-UHFFFAOYSA-N 322.408 2.722 0 40 DFAB CCC(=O)NCC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 57559393 WQAHORQTWWLSAO-JKSUJKDBSA-N 302.418 2.697 0 40 DFAB C[C@H]1CN([C@@H](CNCc2ccccn2)c2cccs2)CCO1 72254133 PJUQATPPQCRFCU-HOCLYGCPSA-N 317.458 2.695 0 40 DFAB O=C(Nc1onc2c1CCCC2)c1ccc2c(c1)OCCO2 8976594 ZOWLHPWCTYYNEC-UHFFFAOYSA-N 300.314 2.577 0 40 DFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72270605 HNORXKKNZQNNBZ-ZBFHGGJFSA-N 324.428 2.567 0 40 DFAB O=C(c1cnc(-c2ccccc2Cl)s1)N1CCOCC1 50535716 FISFUBCGOMDUAX-UHFFFAOYSA-N 308.790 2.936 0 40 DFAB COc1ccc(COC[C@H](O)CN[C@H](C)CCC(C)C)cc1 10025458 IKHVAFPUDSRLBA-NVXWUHKLSA-N 309.450 2.987 0 40 DFAB Fc1ccc2ncnc(NCCCOC[C@H]3CCOC3)c2c1 72293809 CBFRJTGDZJZIKH-GFCCVEGCSA-N 305.353 2.624 0 40 DFAB O[C@@H](COc1cccc2[nH]ccc12)Cn1cnc2ccccc21 95414567 PRAWQFINLLQYTE-CYBMUJFWSA-N 307.353 2.958 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 72234481 XQRYFXYUUXSVKO-IAGOWNOFSA-N 316.445 2.631 0 40 DFAB O=S1(=O)CC[C@@H](NC(c2ccccc2)c2ccccc2)C1 21014856 UZHUGMUQKYAXFP-MRXNPFEDSA-N 301.411 2.553 0 40 DFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H](C)Cc2ccco2)n1 44955538 UWTKOPBJZFBGGE-QWHCGFSZSA-N 318.421 2.659 0 40 DFAB COc1ccc(F)cc1Cn1c(-c2cccs2)noc1=O 58377473 KDWNUNWXPPXREP-UHFFFAOYSA-N 306.318 2.761 0 40 DFAB CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 58323449 JLSLMLCNQHNYBH-INIZCTEOSA-N 302.418 2.786 0 40 DFAB O=C(CSC[C@H](O)c1ccccc1)NCc1ccccc1 58341573 AOOZBGXOWYOEIT-INIZCTEOSA-N 301.411 2.770 0 40 DFAB Cc1ccc(NC(=O)C2CCN(CCc3ccccn3)CC2)nc1 58315252 USWZUVNQFIQGCA-UHFFFAOYSA-N 324.428 2.678 0 40 DFAB COc1c([C@H]2CCCN2CCc2ccccn2)c(C)nn1C 72267598 ANCILQQFMYRZTB-OAHLLOKOSA-N 300.406 2.512 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2scnc2C)cc1 97113280 CEUURGYWYLKNEE-LBPRGKRZSA-N 324.471 2.712 0 40 DFAB CC(C)N(C)c1cccc(NC(=O)NCCc2ccnn2C)c1 97140911 OOSSYBHXUZUNFN-UHFFFAOYSA-N 315.421 2.629 0 40 DFAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(NC(N)=O)cc1 45834678 NBBMVBDTLVGIQB-VIFPVBQESA-N 319.311 2.946 0 40 DFAB CC1(C)CC[C@H](NC(=O)N(CCO)C2CC2)c2ccccc21 60574918 QJDNNYWBIVDTPU-INIZCTEOSA-N 302.418 2.965 0 40 DFAB CCc1nc(N2CCN(C)CC2)c2c3c(sc2n1)CCCC3 2680152 NUKIQFNDAIMXRF-UHFFFAOYSA-N 316.474 2.884 0 40 DFAB CNC(=O)c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 12602194 NRJDXMNSOXXXRD-UHFFFAOYSA-N 320.295 2.900 0 40 DFAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccsc1)c1ccco1 48249119 MLBUWGBOCDQUHK-CYBMUJFWSA-N 318.398 2.825 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](O)c1cccc(Cl)c1 48230969 GJAWZVGNIOBGME-ZDUSSCGKSA-N 321.764 2.599 0 40 DFAB CC1(C)COC2(CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)OC1 104191694 QPAWSHLGVYZCLH-ZIAGYGMSSA-N 307.434 2.814 0 40 DFAB CCC(CC)NC[C@@H](O)COc1ccc(Br)cc1 3383811 ZVVQHARLDKPBTD-CYBMUJFWSA-N 316.239 2.967 0 40 DFAB COc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)cc1 3327584 ADYGVBYNLWPCJL-UHFFFAOYSA-N 316.382 2.911 0 40 DFAB CCn1nc(C(C)C)cc1C(=O)n1cccc/c1=N\C(C)C 48353586 MFJQUFZVNHKPRS-FBMGVBCBSA-N 300.406 2.826 0 40 DFAB O=C(Cc1cccc(F)c1)Nc1cccc(C(=O)NC2CC2)c1 9112467 SKTSFHGOPXQXTG-UHFFFAOYSA-N 312.344 2.899 0 40 DFAB Cn1/c(=N/C[C@H](O)COc2ccccc2)sc2ccccc21 13116278 CAQWFCZKQUURRU-FKEVTRRJSA-N 314.410 2.580 0 40 DFAB Cc1ccc2c(c1C)OC[C@@H]2NCc1cc(C(N)=O)cs1 95427533 VIAFABUGXGFUDW-AWEZNQCLSA-N 302.399 2.687 0 40 DFAB NC(=O)c1csc(C(=O)NCCSc2ccc(F)cc2)c1 95396160 KAJFTVSEDAJHNU-UHFFFAOYSA-N 324.402 2.508 0 40 DFAB CC[C@H](OC1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1 95396492 XUSRLDQELVZGJF-RDJZCZTQSA-N 308.466 2.811 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cn1 6252735 NZGYBKQGDRRFCA-UHFFFAOYSA-N 324.283 2.953 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2ccccn12 5212965 NZPQYPXBYZENOV-GFCCVEGCSA-N 324.409 2.799 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(C2CC2)on1 65417264 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Cc1csc(COC(=O)c2cc3c(cc2F)NC(=O)CC3)n1 95425824 IGVNIOLGJOHAJD-UHFFFAOYSA-N 320.345 2.832 0 40 DFAB Cc1cccc2c1N(C(=O)CCC(=O)Nc1nccs1)CC2 95447767 PGROTDUNGSEHCU-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc[n+]([O-])c1 8749376 YDQMXIZXXSOGQN-UHFFFAOYSA-N 311.168 2.899 0 40 DFAB Cn1c(=O)n(CCC(=O)Nc2ccccc2F)c2ccccc21 8750332 ZGMZIEATVJZXQY-UHFFFAOYSA-N 313.332 2.508 0 40 DFAB O=C(CCSc1ccccn1)N1CCO[C@@H]2CCCC[C@@H]21 87134191 OPBPAAYCKPIZFJ-UONOGXRCSA-N 306.431 2.734 0 40 DFAB Cc1noc2ncc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc12 84067891 OOZZCJGBZHIXTR-INIZCTEOSA-N 323.352 2.745 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@H]3C(N)=O)s2)o1 97081315 TWXRFCBPQRSLEQ-GHMZBOCLSA-N 318.398 2.700 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CCCC1 95946996 IVQVCUKODGBGAO-QGZVFWFLSA-N 300.402 2.581 0 40 DFAB OCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 95980453 OIXQWZRUDJNDAR-UHFFFAOYSA-N 317.260 2.536 0 40 DFAB C[C@@]1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)CCCc2ccccc21 95984082 HRKUXEDTJSOAFE-GMBSWORKSA-N 314.429 2.517 0 40 DFAB CCOc1ccc2nc(SCc3nccc(N)n3)[nH]c2c1 89269804 JFCYXHYPVBJILL-UHFFFAOYSA-N 301.375 2.626 0 40 DFAB COc1ccc(F)cc1CN1CC[C@@H](C(N)=O)c2ccccc21 89457409 PEYOKNZFHKTCQT-OAHLLOKOSA-N 314.360 2.814 0 40 DFAB CCC1(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCC1 75106964 QNZRJGVXBDCCAO-QGZVFWFLSA-N 316.445 2.756 0 40 DFAB O=C(CNc1cccc(F)c1)NC[C@H](O)c1ccc(Cl)cc1 89779340 UGPPTGGBRYOFJM-HNNXBMFYSA-N 322.767 2.741 0 40 DFAB Cc1ccoc1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 89701968 CMJQKWWZIWQENL-UHFFFAOYSA-N 311.334 2.524 0 40 DFAB CCN(CC(C)(C)O)C(=O)Cc1ccc(C(F)(F)F)cc1 76093320 JVASRAGJBNVPQL-UHFFFAOYSA-N 303.324 2.867 0 40 DFAB CCOc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 20457124 IKVIIEWAHFWFAR-UHFFFAOYSA-N 309.362 2.703 0 40 DFAB COc1ccccc1NC(=O)Cn1cc(-c2ccccc2)nn1 123014956 MYDKXFMODFAVRW-UHFFFAOYSA-N 308.341 2.592 0 40 DFAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCOC[C@H]1CC1CCC1 558074015 NXKVRGJKNHHNQY-IAQYHMDHSA-N 305.422 2.548 0 40 DFAB C[C@H](NC(=O)C(=O)NCCCc1ccccc1)c1ccccc1 38717537 QTWVQSZBMJPUQO-HNNXBMFYSA-N 310.397 2.613 0 40 DFAB CCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 72383848 LFOOSYPLVALPHH-UHFFFAOYSA-N 312.373 2.780 0 40 DFAB CS[C@@H](CNC(=O)CCn1cncn1)c1cccc(Cl)c1 78917420 ZEUFDSLORYVSHI-ZDUSSCGKSA-N 324.837 2.542 0 40 DFAB Cc1cc(S(=O)(=O)NCc2ccco2)ccc1OC(C)C 32400522 XBRZFANOBYPURQ-UHFFFAOYSA-N 309.387 2.854 0 40 DFAB COCCN1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 72363497 WGWYOUQWMHXYAI-GFCCVEGCSA-N 319.434 2.503 0 40 DFAB Cc1cc(-c2noc(C[C@H](O)Cc3ccccc3)n2)ccc1O 567526735 WHTSJAVIMIQBAY-OAHLLOKOSA-N 310.353 2.897 0 40 DFAB CN[C@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccc(F)cc1 36182659 SNSBLQQIOXNVNB-AEFFLSMTSA-N 315.344 2.901 0 40 DFAB O=C(c1ncccn1)N1CCS[C@@H](c2cccs2)CC1 219523001 GCLLRNOKURUGRP-GFCCVEGCSA-N 305.428 2.859 0 40 DFAB Cc1ccc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nn1 72203463 ZYHXBYGZDFVEQK-ZDUSSCGKSA-N 306.410 2.621 0 40 DFAB Cc1cc(NS(=O)(=O)c2cccnc2)ccc1N1CCCC1 78773325 RFYCEFUQENIBHV-UHFFFAOYSA-N 317.414 2.791 0 40 DFAB O=C(OC1CCN(c2ccc(Cl)nn2)CC1)c1ccco1 78988959 XEBSDUFMXNKTPK-UHFFFAOYSA-N 307.737 2.549 0 40 DFAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccccn1 42646538 FTLKDLRRZZJOFC-UHFFFAOYSA-N 311.385 2.634 0 40 DFAB O=C(NC1(C(F)(F)F)CCNCC1)OCc1ccccc1 199523836 PNYBYVZQVFXJCE-UHFFFAOYSA-N 302.296 2.597 0 40 DFAB CCOCCCNC(=O)CCc1nc(-c2cccc(C)c2)no1 225814489 PSWOOPVZKSZXOJ-UHFFFAOYSA-N 317.389 2.520 0 40 DFAB NCc1ccc(I)c(C(F)(F)F)c1 199710998 PVTHDSHNAIYLAF-UHFFFAOYSA-N 301.049 2.769 0 40 DFAB O=c1oc2cccnc2n1Cc1ccccc1OCC(F)(F)F 85264792 DWTBVYCYMMMSMD-UHFFFAOYSA-N 324.258 2.979 0 40 DFAB Cc1cccc(C)c1NCC(=O)N[C@@H]1CCC[C@H]1n1ccnc1 96426554 NOIIMMRCOSKRKM-HZPDHXFCSA-N 312.417 2.822 0 40 DFAB Cc1cc(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)n(C)n1 96481593 RYFSQJUEZQOMMP-UHFFFAOYSA-N 311.345 2.805 0 40 DFAB Cc1noc([C@H](C)OC(=O)c2c(C(C)C)nn(C)c2Cl)n1 96442062 BGLXNAVNRGMSBL-ZETCQYMHSA-N 312.757 2.806 0 40 DFAB c1cnc2ncc(CN3CCC[C@@H](N4CCCCCC4)C3)n2c1 93133509 LKRWJIWOVJHTMD-MRXNPFEDSA-N 313.449 2.570 0 40 DFAB COc1cccc(NC2CCN(C(=O)c3ccncc3)CC2)c1 96413355 SEQHJEPKDYWSGZ-UHFFFAOYSA-N 311.385 2.807 0 40 DFAB C[C@H]1C[C@H](C)N(C(=O)c2nn(-c3cccc(F)c3)cc2O)C1 581674223 WDVQJVWZTBDKAD-QWRGUYRKSA-N 303.337 2.588 0 40 DFAB Cc1cnc(CCN[C@H](C)CC(=O)N2CCCCCC2)s1 96478451 BPHSHHKUMNOQGW-CYBMUJFWSA-N 309.479 2.765 0 40 DFAB Cc1ccoc1C(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 96404235 CHRJQDQYZIWMIE-UHFFFAOYSA-N 302.355 2.928 0 40 DFAB CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2cccnc2)ccn1 257252654 JVPJOYPUBOQPRG-KRWDZBQOSA-N 324.428 2.839 0 40 DFAB Cc1cn[nH]c1C[C@H]1CCCN(Cc2nccn2C(C)C)C1 257332188 XWEKAJOGEHUWRY-OAHLLOKOSA-N 301.438 2.950 0 40 DFAB CCCn1cc(CN2CCCC[C@@H]2c2ccnc(NC)n2)cn1 257264295 LTTNLDSJGLWXNO-MRXNPFEDSA-N 314.437 2.852 0 40 DFAB CCn1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)c(C)n1 257263463 LQAKXYBGIBRMCB-CYBMUJFWSA-N 318.446 2.996 0 40 DFAB Cc1cc(C)n2ncc(CN3CCC[C@H](c4ccncn4)C3)c2n1 257288969 PWLVPKKGBRXPTR-HNNXBMFYSA-N 322.416 2.516 0 40 DFAB CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1cc2cccc(F)c2o1 252505106 VOKKYNAZWYQOKC-UWVGGRQHSA-N 315.366 2.587 0 40 DFAB CN(CCc1cnccn1)C(=O)NCCC1=CCCCCC1 274297191 FEYUZJXKRKRRRQ-UHFFFAOYSA-N 302.422 2.941 0 40 DFAB Cc1noc(C)c1C(C)(C)NC(=O)c1ccc2c(c1)ncn2C 286580500 YFYSLAMAZQLSTG-UHFFFAOYSA-N 312.373 2.843 0 40 DFAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Oc2ncccn2)C1 575605162 NJVKRSYZZXROPL-CQSZACIVSA-N 317.776 2.814 0 40 DFAB CCCc1ccc(C(=O)Cn2cnc3onc(C)c3c2=O)cc1 585140880 KUJGGAYVRKHDBN-UHFFFAOYSA-N 311.341 2.528 0 40 DFAB CO[C@H]1CN(C(=O)Cc2ccncc2)CC[C@@H]1Cc1ccccc1 585278406 DKYHGZNNLFLVDW-MOPGFXCFSA-N 324.424 2.730 0 40 DFAB Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)s1 32930278 MGDCUIOPRJFAEI-UHFFFAOYSA-N 301.415 2.850 0 40 DFAB O=C(N[C@@H]1CCc2nccn2C1)c1ccccc1OC1CCC1 72287781 OOBFEVXXENALHU-CYBMUJFWSA-N 311.385 2.559 0 40 DFAB Cc1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(=O)[nH]1 75124212 TVFXJLBUWUMIAJ-UHFFFAOYSA-N 309.369 2.711 0 40 DFAB COc1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1 82740769 DLKMHTSDBGHVBO-UHFFFAOYSA-N 308.385 2.898 0 40 DFAB O=C(C1CC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099859 PHXVSRACKPOYQA-UHFFFAOYSA-N 319.455 2.930 0 40 DFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 97086347 QDAIWEIMPRTYFG-BXUZGUMPSA-N 308.809 2.767 0 40 DFAB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(C)no1 189511149 CZEKRUAVQLVJPI-QGZVFWFLSA-N 302.374 2.786 0 40 DFAB C[C@H](Cn1nnc2ccccc21)NC(=O)C1(c2ccccc2)CC1 12183186 XYOLECXTZHGPCX-CQSZACIVSA-N 320.396 2.668 0 40 DFAB CCn1c(SCC(=O)NCC(F)(F)F)nc2ccccc21 12549037 YUSORUMSIGLJHR-UHFFFAOYSA-N 317.336 2.827 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)Cn1c(C)csc1=O 12981801 CNFDAHUIHGZIJO-UHFFFAOYSA-N 302.399 2.506 0 40 DFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OC(F)F)cc1 13331747 JIEVJBJYYTTWPH-FQPOAREZSA-N 305.280 2.600 0 40 DFAB COc1ccccc1SC[C@@H](C)CNC(=O)[C@@H]1CCCCN1 158743017 ULOGSHGWMGIXSA-KBPBESRZSA-N 322.474 2.682 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)COC)c1nc2cccnc2n1C(C)C 12221191 NLRBKCTYZRZOLI-IUODEOHRSA-N 318.421 2.862 0 40 DFAB CC1=NN(C)C(=O)[C@H]1CCOC(=O)Nc1cccc(Cl)c1 26330462 VXUSIPBOWHVILR-LBPRGKRZSA-N 309.753 2.743 0 40 DFAB CC1=NN(C(=O)CSc2nc3ccccc3s2)[C@@](C)(O)C1 135651 VYVNFXRQAHYKGV-AWEZNQCLSA-N 321.427 2.705 0 40 DFAB Cc1c(C(=O)C(=O)NCc2ccccc2)c2ccccc2n1C 4062528 MKINIKQRWUAGHV-UHFFFAOYSA-N 306.365 2.986 0 40 DFAB CN(C)c1ccc(CCNC(=O)COc2ccc(F)cc2)cc1 11693627 XHSGCAJHWAPIOB-UHFFFAOYSA-N 316.376 2.629 0 40 DFAB Brc1cc2[nH]cc(I)c2cn1 14986205 FCXXMGLYWFECRW-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB in-vitro CO[C@H](CNc1ncnc2c1cnn2C)c1ccc(C)s1 1775972708 RUVTXQOORSVHAA-LLVKDONJSA-N 303.391 2.533 0 40 DFAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NC1CCCC1 38497846 SVHWECZDPUBXCB-UHFFFAOYSA-N 314.341 2.672 0 40 DFAB CCCS(=O)(=O)Oc1ccc(NC(C)=O)c2ccccc12 226859165 WSOWDQHJJKKMAI-UHFFFAOYSA-N 307.371 2.917 0 40 DFAB COCCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19593097 YPAFGYQDAQOOAT-UHFFFAOYSA-N 313.401 2.560 0 40 DFAB COCCN(Cc1cccs1)C(=O)c1cc(C2CC2)[nH]n1 40521041 UIYYJAUYYMKOBC-UHFFFAOYSA-N 305.403 2.637 0 40 DFAB C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 40553259 TVHDVVGMPYOVNP-CXAGYDPISA-N 314.429 2.875 0 40 DFAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2cccs2)no1 101584579 NROCSRDQJJYICO-GARJFASQSA-N 301.371 2.740 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1 32738583 VQUFOFCPJOTPGZ-UHFFFAOYSA-N 322.364 2.895 0 40 DFAB Cn1cc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)cs2)cn1 52442194 VQGNJTNSZIJXOC-LSDHHAIUSA-N 318.446 2.687 0 40 DFAB Cc1cccc2nc(CSc3ncc4ccccn34)cc(=O)n12 32862380 NJLQKSCLYAOSOX-UHFFFAOYSA-N 322.393 2.943 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 41817537 YDHMQDSYLCOPDZ-GFCCVEGCSA-N 305.378 2.728 0 40 DFAB O=C(Nc1nc[nH]n1)c1cc(-c2ccncc2)nc2ccccc12 23142492 GNMWSHHETGAVFT-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB Cc1cc(C)c(S(=O)(=O)n2nnc3ccccc32)c(C)c1 183433 XJQVZUOWHBWKML-UHFFFAOYSA-N 301.371 2.594 0 40 DFAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(C)cc1 415943 DNPQYEXDYXSHGB-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCC(F)(F)F 84741040 BUXFNNNBTVZOGC-NXEZZACHSA-N 324.343 2.748 0 40 DFAB O=C(CF)N[C@@H](Sc1ccccn1)C(Cl)(Cl)Cl 983390 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COc1cc(/C=C\C(N)=O)ccc1OCc1ccc(F)cc1 44259632 BZDJEYGZPROWOL-UITAMQMPSA-N 301.317 2.912 0 40 DFAB CCOC(=O)c1sc(N)c(C(=O)NCc2ccccc2)c1C 40680556 KTHHGCXCEYQMIF-UHFFFAOYSA-N 318.398 2.745 0 40 DFAB CC(=O)Nc1nc(-c2ccc(F)c(C)c2)c(CC(=O)O)s1 41541464 VBPFFWKIWWKSAI-UHFFFAOYSA-N 308.334 2.843 0 40 DFAB CC(C)c1nc(S(=O)(=O)N2C[C@H](C)Oc3ccccc32)c[nH]1 80753191 UFDSDNCHJBXQFW-NSHDSACASA-N 321.402 2.509 0 40 DFAB O=C(O)CCc1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O 223447294 RNIFXHMIOUNAFD-UHFFFAOYSA-N 313.140 2.761 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 192342598 YFATZGGVNKSDQJ-DAYGRLMNSA-N 315.413 2.810 0 40 DFAB Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccoc2C)c1 195060658 QLNWEBPFHHNYCE-UHFFFAOYSA-N 307.371 2.617 0 40 DFAB CC[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)OC 192842817 HNCCQITXFGLYSL-CQSZACIVSA-N 302.330 2.895 0 40 DFAB C[C@@H]1CN(c2cc(CNc3ncccc3Cl)ccn2)CCO1 195537913 RKLXXYQVNOBHKY-GFCCVEGCSA-N 318.808 2.967 0 40 DFAB COc1c(C)cc(CN(C)Cc2noc(C)c2C(=O)O)cc1C 582969391 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COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1OC 249125 CYHLJBPUORWNCS-UHFFFAOYSA-N 311.334 2.644 0 40 DFAB CONC(=O)CSc1nccn1-c1cccc(Cl)c1C 25827005 ZMOJRBCNECRJTD-UHFFFAOYSA-N 311.794 2.604 0 40 DFAB CC(C)Cn1ccnc1CNC(=O)N[C@H](C)c1nccs1 78941426 ZIBAHQFOTNWVFZ-LLVKDONJSA-N 307.423 2.556 0 40 DFAB Cn1ccnc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78911117 RMCUWEUAZRVWIF-QWHCGFSZSA-N 323.318 2.859 0 40 DFAB COc1cccc(C(=O)N(C)c2ccc(Br)cn2)n1 79053356 UDWGWEXFVFMYGM-UHFFFAOYSA-N 322.162 2.524 0 40 DFAB Cc1cc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccco2)on1 106563778 CSZPVVSVAAAJSY-CHWSQXEVSA-N 303.362 2.590 0 40 DFAB COc1cccc(-c2noc(CCC(=O)N3CCCCC3)n2)c1 2423223 JJXJJOZQPKSZOK-UHFFFAOYSA-N 315.373 2.690 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F 25245311 OSSRFSKTGDQKKE-UHFFFAOYSA-N 302.296 2.595 0 40 DFAB CCn1c(SCC(=O)NCC(C)C)nnc1-c1ccccc1 3501385 XAVCFRTXFXLPRG-UHFFFAOYSA-N 318.446 2.829 0 40 DFAB O=C(Cc1csc(-c2ccco2)n1)Nc1ncccc1O 25479692 FDQQSPSBDHVLKT-UHFFFAOYSA-N 301.327 2.685 0 40 DFAB 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322.411 2.570 0 40 DFAB Cc1ccn2c(CNc3cc(C(N)=O)cc(F)c3C)cnc2c1 95428736 XSHLXDBJOFCMTE-UHFFFAOYSA-N 312.348 2.801 0 40 DFAB CSC[C@@H](CCO)NC(=O)Cc1cc(Cl)ccc1Cl 95426699 JACMTYWBFGPEEJ-LLVKDONJSA-N 322.257 2.766 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 2633066 VEHAJOVWIAWYOP-HUUCEWRRSA-N 313.401 2.739 0 40 DFAB O=C([C@@H]1CCCc2[nH]ncc21)N1CC=C(c2ccc(O)cc2)CC1 95411681 NQFVDOKEDCXGHU-MRXNPFEDSA-N 323.396 2.851 0 40 DFAB CN(C(=O)CSc1ncccc1C(=O)O)C1CCCCC1 3287546 GQOWYWCDGRFOFF-UHFFFAOYSA-N 308.403 2.663 0 40 DFAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1OC(F)F 3283102 GVGSAGLOMWKVNL-DSXPNFDZSA-N 311.284 2.902 0 40 DFAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 20457656 JYXVIKLLYXFIDA-GFCCVEGCSA-N 303.333 2.918 0 40 DFAB CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC 95958230 NPXGHUWNCGFQEV-OAHLLOKOSA-N 302.374 2.558 0 40 DFAB CCOc1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 28051058 IDQOGNILADSDJY-INIZCTEOSA-N 310.353 2.829 0 40 DFAB CCn1cc(NC(=O)c2cc(Cl)c(Cl)n2C)ccc1=O 48796142 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CCc1cc(C(=O)N2CCC(C)(c3nccs3)CC2)on1 257275045 NNRZAIHMFUBKNK-UHFFFAOYSA-N 305.403 2.887 0 40 DFAB CN1C(=O)CCC[C@H]2CN(CCOc3ccc(F)cc3)CC[C@H]21 257284284 PCAVJVZCKGLDAS-WMLDXEAASA-N 320.408 2.537 0 40 DFAB CO[C@H](CNC(=O)c1snnc1C)c1cc2ccccc2o1 253471769 FQTGIGSCHOCYCF-CYBMUJFWSA-N 317.370 2.710 0 40 DFAB CC(C)(COCc1ccccc1)NC(=O)C1CCC(O)CC1 252487903 IDTWECVBXYKQMW-UHFFFAOYSA-N 305.418 2.649 0 40 DFAB CCc1nc([C@H]2CCCN2Cc2cnn(C(C)(C)C)c2)no1 375831397 NJKAXCWANXOUAX-CYBMUJFWSA-N 303.410 2.921 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 575402764 BRIWYIXGFBCDIJ-INIZCTEOSA-N 309.450 2.999 0 40 DFAB CC(=O)N[C@H]1CCCN(c2ccnc(C)n2)[C@H]1Cc1ccccc1 585273846 FGVRPGNDYXSKLE-ROUUACIJSA-N 324.428 2.501 0 40 DFAB CCc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC 39494681 ZUTSMUNPFVNENK-NSHDSACASA-N 315.373 2.558 0 40 DFAB FC(F)(F)c1ccc(N2CCC[C@@H](C3OCCO3)C2)nc1 71904181 ZERRMFZTQZCJQS-SNVBAGLBSA-N 302.296 2.690 0 40 DFAB Nc1nc2c(I)ccc(Cl)c2s1 575482430 WSEWDULMOFKAQG-UHFFFAOYSA-N 310.547 3.137 0 40 DFAB CC(C)CCn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201096 JWNPOYSSUKCMQZ-UHFFFAOYSA-N 320.780 2.733 0 40 DFAB C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2cccnc2)n[nH]1 12114721 BQTSPOFQQMCYEK-ZDUSSCGKSA-N 321.384 2.677 0 40 DFAB CCC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3ccco3)nn12 12241419 IXXPMFFYAKPKEY-RISCZKNCSA-N 322.368 2.988 0 40 DFAB O=C(NCc1ccncc1)c1nc(-c2c[nH]c3ccccc23)no1 12321885 VEFXYWDIPSAJBK-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB CCOc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12986449 KQEAUHAXXKYCMO-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB CCc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 13068862 PCCSJMJYCXORKL-UHFFFAOYSA-N 305.355 2.748 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)s1 14168971 UHJLOXBNSONBIZ-AATRIKPKSA-N 319.386 2.770 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1ccc(C(F)(F)F)cc1 15424513 BIUMDOCKSOZBOY-UHFFFAOYSA-N 320.274 2.690 0 40 DFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CN(C)C 19078951 OLLMDMYMUYCEOU-ZIAGYGMSSA-N 308.397 2.536 0 40 DFAB O=C(CCn1cccn1)N1CCC(c2cc3ncccc3[nH]2)CC1 19345319 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2.831 0 40 DFAB CCCNc1ccccc1NC(=O)c1ccc(C(=O)OC)nc1 96011767 BNGWFLKGPBZWDD-UHFFFAOYSA-N 313.357 2.942 0 40 DFAB C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)[C@@H](O)Cc1ccccc1 96004364 WILNOXUPIZQJKD-PJSQDVQBSA-N 311.381 2.514 0 40 DFAB Cc1noc(CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 96013893 RTOLVJLDUWFOFZ-SSDOTTSWSA-N 317.315 2.604 0 40 DFAB COCCN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O 13945521 DTYFEVLFLFYCFJ-UHFFFAOYSA-N 322.320 2.737 0 40 DFAB Cc1cccc(-c2ccc(C(=O)NCCc3ccco3)c(=O)[nH]2)c1 65514839 XZCCVLQYQGZIOB-UHFFFAOYSA-N 322.364 2.916 0 40 DFAB O=C(CC[C@H]1COc2ccccc2O1)NCCc1ccccc1 5450901 FWDUGAJNJDVLCL-INIZCTEOSA-N 311.381 2.966 0 40 DFAB Cc1cccc(-n2c(=O)c3ccccc3n3c(S)nnc23)c1C 6590878 BLZLSOAYWCNFDM-UHFFFAOYSA-N 322.393 2.939 0 40 DFAB Cc1cc(C)c(CNC(=O)c2ccccc2C(F)(F)F)c(=O)[nH]1 9479670 LPCDDFOCQMQSQK-UHFFFAOYSA-N 324.302 2.941 0 40 DFAB CCn1nc(C)cc1C(=O)NCCc1c[nH]c2c(C)cccc12 96423817 LQEOFICJXOFJSX-UHFFFAOYSA-N 310.401 2.974 0 40 DFAB CCCn1cc(C(=O)N[C@@H](C)c2cn3ccsc3n2)c(C)n1 67955646 LJJUWIMVQYUBFL-NSHDSACASA-N 317.418 2.802 0 40 DFAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccccc1 7535603 IHGPWJQSRAVEDP-UHFFFAOYSA-N 317.772 2.742 0 40 DFAB O=S(=O)(Nc1cccnc1Cl)c1ccc(F)c(F)c1 16129259 RNRNNLKZTDYDFZ-UHFFFAOYSA-N 304.705 2.814 0 40 DFAB O=C(C1=COCCC1)N1CCN(Cc2cccc(Cl)c2)CC1 68510499 UZNSJLITQBZUSX-UHFFFAOYSA-N 320.820 2.679 0 40 DFAB CN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2cccs2)on1 60344521 NGKNQHBZTWIYAS-UHFFFAOYSA-N 322.386 2.817 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)n1 71870267 YRJZMKISUBDZQK-JYJNAYRXSA-N 313.401 2.888 0 40 DFAB O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(C2CC2)[nH]n1 71890791 SSDKRQNXSRILCF-GOSISDBHSA-N 321.380 2.904 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1cccnc1 71843966 AJCIBHBOXQXYHW-KBPBESRZSA-N 313.401 2.739 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nnsc2Cl)c1C 8329049 ZKVWMMVPZHQIRK-UHFFFAOYSA-N 313.766 2.696 0 40 DFAB Cc1sc2ncnc(N(C)Cc3nnc4ccccn34)c2c1C 69442033 XTIZOWBGJMICPY-UHFFFAOYSA-N 324.413 2.987 0 40 DFAB CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 83859076 LUWXZXBNMJGAEM-UHFFFAOYSA-N 314.364 2.766 0 40 DFAB O=C(c1ccc(O)c(Cl)c1)N1CCC(n2ccnc2)CC1 69560711 CXBNQLRGXRVOGC-UHFFFAOYSA-N 305.765 2.719 0 40 DFAB C[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 71909822 IWFOGVUYSLKBAN-SNVBAGLBSA-N 324.306 2.783 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2Cc2cn3ccccc3n2)c1 69969758 GXPCKFFOILRFRK-QGZVFWFLSA-N 309.417 2.894 0 40 DFAB CCc1cc2c(=O)[nH]c(-c3ccc4c(c3)OCO4)nc2s1 72061896 HDSJTYNQBMBCQO-UHFFFAOYSA-N 300.339 2.943 0 40 DFAB COc1ccc(C(=O)CCCC(=O)NCC[C@H]2CCCO2)cc1 83937719 FXNDPMLYGDYOSZ-MRXNPFEDSA-N 319.401 2.734 0 40 DFAB COc1ccc(-c2cc(O)n3nc(C(F)(F)F)nc3n2)cc1 8927509 YDPQZYGBFKNJJB-UHFFFAOYSA-N 310.235 2.524 0 40 DFAB C[C@H]1CNCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F 94595816 YCENPBIBAVEQEC-UFBFGSQYSA-N 304.287 2.572 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)no1 84116949 FFBAHHBVKQNVMQ-SDBXPKJASA-N 312.728 2.627 0 40 DFAB CCOc1ccc(NC2CCN(Cc3cccnc3)CC2)cn1 97038352 UZDOCIMSRWRKST-UHFFFAOYSA-N 312.417 2.952 0 40 DFAB CCOc1ccc(CNC(=O)c2cnc3c(c2)ncn3C)cc1C 97050591 NQYUKUXNRBSLJT-UHFFFAOYSA-N 324.384 2.605 0 40 DFAB Cc1nc(-c2cccc(C(=O)Nc3cc(C(C)C)n[nH]3)c2)n[nH]1 72293170 QSMXVXOERJAJDN-UHFFFAOYSA-N 310.361 2.879 0 40 DFAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1nc[nH]n1 72292961 MYLHKPHURYSPEK-CMDGGOBGSA-N 310.357 2.785 0 40 DFAB COc1ccccc1OCCN(C)CCNC(=O)OC(C)(C)C 84240670 GSECVDYBSYVYCJ-UHFFFAOYSA-N 324.421 2.531 0 40 DFAB Cc1nc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)cs1 97162978 FYECVLRCZTVQPJ-INIZCTEOSA-N 316.426 2.925 0 40 DFAB Cn1nccc1CCNC(=O)N[C@@H]1CCCCc2ccccc21 97140180 IGNQHTIWRDOCRT-QGZVFWFLSA-N 312.417 2.730 0 40 DFAB CCCc1cc(O)nc(SCc2nnc(C3CCC3)n2C)n1 97370431 INGOHVWFMMDATF-UHFFFAOYSA-N 319.434 2.823 0 40 DFAB Fc1cccc(CN2CCN(Cc3ccncc3)CC2)c1F 95977232 KFJZECMFMULTKL-UHFFFAOYSA-N 303.356 2.678 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cccc(C)n2)cn1 75141361 SPSLIEWRFICZCW-KRWDZBQOSA-N 324.428 2.739 0 40 DFAB Cc1csc(CN(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 76040253 ZBGFSDPTGWNJNZ-CQSZACIVSA-N 317.414 2.909 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1ccsc1 76042824 CBTHIQGCKUZDIR-GOEBONIOSA-N 305.447 2.966 0 40 DFAB O=C(C[C@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 110674675 WTDDJAWXUYWUJS-XLMAVXFVSA-N 313.397 2.818 0 40 DFAB O=C(O)c1nnn(-c2cccc(Cl)c2)c1-c1ccccn1 67225211 RCAQILWVCRTAEA-UHFFFAOYSA-N 300.705 2.681 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123398669 IGDPHSMKMOOQGM-RBRZPYPVSA-N 308.462 2.722 0 40 DFAB O=C(NC[C@@H](O)C1CC1)Nc1cccc(N2CCCCCC2)c1 77723539 VOPJCIGBRYWCMN-QGZVFWFLSA-N 317.433 2.959 0 40 DFAB O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 37410413 LDENKECKMXPRRI-ZCRIDZFUSA-N 324.174 2.538 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)c1 72368532 GMXQGVDLHOYQIN-HNNXBMFYSA-N 313.401 2.660 0 40 DFAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1F 36635711 IQXRQDJXYNGSFS-ZDUSSCGKSA-N 302.280 2.709 0 40 DFAB O=C(c1ccccc1)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 72389881 OFLHXNFWPUNCFP-AWEZNQCLSA-N 320.352 2.761 0 40 DFAB Cc1cc(N2CCC[C@H]2c2cccc(-n3ccnc3)n2)ncn1 72355595 XYHBJECEKKXJCQ-HNNXBMFYSA-N 306.373 2.707 0 40 DFAB Cc1cc(NCc2ccc3nsnc3c2)n2nc(C)cc2n1 72474388 MCGHXGSBEFJTTM-UHFFFAOYSA-N 310.386 2.963 0 40 DFAB C[C@@H](C(=O)Nc1cc(CCc2ccccc2)n[nH]1)n1cccn1 77034474 BKCRRMNADSRPEJ-ZDUSSCGKSA-N 309.373 2.591 0 40 DFAB COC(=O)c1ccnc(NC(=O)Cc2ccccc2Cl)c1 79311198 AMPBZHFTSOGHHB-UHFFFAOYSA-N 304.733 2.703 0 40 DFAB Cc1cc(NC(=O)CN2C[C@@H]3CCC(=O)c4cccc2c43)no1 184811559 ZJBRKXUINLJDPA-NSHDSACASA-N 311.341 2.502 0 40 DFAB C[C@H]1CCN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCS1 565192864 RGJRXHXJVNHXDN-DOTOQJQBSA-N 318.486 2.863 0 40 DFAB Cc1cccc(CC(=O)NCC2CCN(c3ccccn3)CC2)c1 43975505 DRQIFSTUXQDARU-UHFFFAOYSA-N 323.440 2.965 0 40 DFAB COC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCC1 225625725 KIWYAAOBOZNSTQ-UHFFFAOYSA-N 306.406 2.525 0 40 DFAB CSc1c(F)cc(NC(=O)N2CCC[C@@H]2CO)cc1F 97372834 FIVIXNQCNBTGGL-SECBINFHSA-N 302.346 2.675 0 40 DFAB Cc1ccc(CN2C[C@H]3C[C@H](CN(C)C(C)C)O[C@H]3C2)s1 96056659 PAEJLJMEZDGOAP-INMHGKMJSA-N 308.491 2.986 0 40 DFAB CC(C)n1c(N)nnc1SCc1csc(N(C)C2CC2)n1 96475494 DANGXJKVCWSCSR-UHFFFAOYSA-N 324.479 2.789 0 40 DFAB CC(=O)NC[C@H](OC(=O)c1ccc(Cl)cn1)c1ccccc1 96453124 SBTJGZKBYQONHM-HNNXBMFYSA-N 318.760 2.769 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)c1sccc1C)CC2 96106284 FBSHODOJDGLOEE-AWEZNQCLSA-N 323.458 2.962 0 40 DFAB O=c1cc(CN2CCC(c3ccc(F)cc3)CC2)occ1O 96459547 VIEHZUPXHLNZBP-UHFFFAOYSA-N 303.333 2.864 0 40 DFAB CC[C@@H](NS(=O)(=O)c1sccc1OC)c1ccccn1 583651677 QZWUTSAVQRLYOV-SNVBAGLBSA-N 312.416 2.581 0 40 DFAB C[C@H](O)CN(C)C(=O)NCCCc1ccc(Cl)c(Cl)c1 95459703 YNEXTTRICQIGOA-JTQLQIEISA-N 319.232 2.948 0 40 DFAB C[C@@H](CNCc1cnn(C)c1)Oc1ccccc1Br 96452784 QCFYUNDGRABYJE-NSHDSACASA-N 324.222 2.740 0 40 DFAB Cc1nc(CN2CCC3(C2)CN(Cc2ccco2)C3)cs1 96046419 WTVNZIIPXADWOQ-UHFFFAOYSA-N 303.431 2.752 0 40 DFAB O=C(c1cccs1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96064784 QSYVYDWPNMPYGK-ILXRZTDVSA-N 321.442 2.937 0 40 DFAB CN(C)C1CCN(c2ccc(Br)cc2C=O)CC1 95081440 GJVPNCPIZIFDDR-UHFFFAOYSA-N 311.223 2.792 0 40 DFAB CCn1cc(C(=O)NC[C@](C)(O)c2cccs2)c(C(C)C)n1 96450345 CBCWUMLSQPVQAM-INIZCTEOSA-N 321.446 2.725 0 40 DFAB CC(=O)N1CCC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257213668 CIPOZMQPQOUTNG-CQSZACIVSA-N 314.389 2.549 0 40 DFAB CCCn1nccc1-c1cc(C[C@@H]2CCN(C(C)=O)C2)ccn1 257305748 SRILGVDXLRWOLT-INIZCTEOSA-N 312.417 2.766 0 40 DFAB Cc1cc(-c2cncc([C@H]3CCCN3C(=O)C(C)(C)C)n2)[nH]n1 257289424 PYNNRFLXTPJFOM-OAHLLOKOSA-N 313.405 2.885 0 40 DFAB COc1nc(C)nc(N(C)c2ccc(Br)cc2)n1 95915771 WIWBPFLFOMNIFN-UHFFFAOYSA-N 309.167 2.719 0 40 DFAB COC[C@H]1CCC[C@@]12CN(C(=O)c1ccccc1C)CCO2 585102533 GPSSMONOGMJGGD-CRAIPNDOSA-N 303.402 2.653 0 40 DFAB Cc1nnsc1C(=O)NCCCc1cc2ccccc2o1 828234727 QUQSBDUULMMYOR-UHFFFAOYSA-N 301.371 2.955 0 40 DFAB CCOCc1cccc(NC(=O)C(=O)NCc2ccsc2)c1 69516751 NDEYOUVJFXPNTI-UHFFFAOYSA-N 318.398 2.540 0 40 DFAB CC(C)OCCOC[C@@H](O)CN(C)Cc1cccc(Cl)c1 70007117 VKUSSQJXOIPILT-INIZCTEOSA-N 315.841 2.574 0 40 DFAB CC(C)=CC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 55483205 ZTXGOGDSUGVFDW-UHFFFAOYSA-N 312.369 2.792 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 40526582 MVSLODWCFJZEOK-TXEJJXNPSA-N 310.419 2.600 0 40 DFAB CCOc1ccccc1CN(C)C(=O)c1c(C)cc(=O)oc1C 78986104 AKYNKSQTHQAKAD-UHFFFAOYSA-N 315.369 2.928 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1 5794405 IRQVNORIHCMHAS-CABCVRRESA-N 300.402 2.606 0 40 DFAB CC(=O)N1CCc2cc([C@@H](O)CN3CCCCCCC3)ccc21 12146835 HTROTVAMZJBTAA-IBGZPJMESA-N 316.445 2.895 0 40 DFAB O=C(Nc1ccc(F)cc1)c1ccc(CN2CCOCC2)cc1 19913224 LMKUMZYWBCXBDC-UHFFFAOYSA-N 314.360 2.910 0 40 DFAB C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)c2cccnc2O1 158716574 BWMXESNQXIXEGJ-GUYCJALGSA-N 324.380 2.900 0 40 DFAB Cc1ccc(S(=O)(=O)n2c(C)cc3c(F)c(O)cnc32)cc1 31777062 BUKSLQZVIOLDGK-UHFFFAOYSA-N 320.345 2.735 0 40 DFAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccco1 5938657 JTCLELFOZXZFJF-BQYQJAHWSA-N 318.398 2.519 0 40 DFAB Cc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1C 6083079 GFWBGFHKTHXJDJ-UHFFFAOYSA-N 307.353 2.721 0 40 DFAB COc1ccc(CC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1 21803781 RLYYRLOWAMVNSD-ZDUSSCGKSA-N 324.380 2.859 0 40 DFAB O=C(NC[C@@]1(O)CCCc2sccc21)c1ccc(F)c(F)c1 1889125161 VYKUHTQTCRXECX-INIZCTEOSA-N 323.364 2.980 0 40 DFAB CCC(=O)N1CCC(c2cn3cccc3c(N(C)C)n2)CC1 2037838321 CXLLXPRDNQESMD-UHFFFAOYSA-N 300.406 2.516 0 40 DFAB CSc1nccc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087130945 GYRNKHDPHXOUJL-GFCCVEGCSA-N 322.478 2.672 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(F)cc1F 8931650 XNIFKSOYSPIKPK-UHFFFAOYSA-N 321.308 2.595 0 40 DFAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(F)cc1 9823455 JXNKHGLXSAFNCA-OAHLLOKOSA-N 313.332 2.535 0 40 DFAB CCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100868348 VDZWYPVSRJYARL-KBPBESRZSA-N 301.342 2.682 0 40 DFAB CN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)OC1=S 2292512 ZTSTURKXPOPYHW-UTLPMFLDSA-N 314.410 2.955 0 40 DFAB Cn1/c(=N\C(=O)c2n[nH]c3ccccc23)sc2ccccc21 30672841 YCQGLJWKCUOZCW-WUKNDPDISA-N 308.366 2.857 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCN(C[C@H]2CCCO2)CC1 40460214 JXMGLACAYDSBMT-OAHLLOKOSA-N 323.824 2.669 0 40 DFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)no2)c1 40473813 IEAFDCZWFNJLKS-AWEZNQCLSA-N 316.357 2.978 0 40 DFAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3[nH]ncc31)C(=O)N2C 31809569 ORERRMRHJRUFPT-KRWDZBQOSA-N 310.357 2.787 0 40 DFAB CNC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1 31835472 CDDVEEMKAVONEL-GFCCVEGCSA-N 322.368 2.596 0 40 DFAB O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1ccc(F)cc1 101441 YDCAABKMMODBCJ-MRXNPFEDSA-N 314.341 2.711 0 40 DFAB C[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1cc2ccccc2o1 102164638 WTJDCZDAYWXLHE-LLVKDONJSA-N 308.341 2.620 0 40 DFAB O=C(CSC1=Nc2ccccc2CS1)NC(=O)NC1CC1 22022273 IIOXRUGOXZJUIJ-UHFFFAOYSA-N 321.427 2.642 0 40 DFAB CCN1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 87920 MFQZUMJOCMYPLP-UHFFFAOYSA-N 302.447 2.630 0 40 DFAB Cc1c(C)n(C[C@H](O)CN2CCOCC2)c2c(Cl)cccc12 12421925 OOKJRMITCIJHJP-CQSZACIVSA-N 322.836 2.605 0 40 DFAB O=C1CN2C(=Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)CN1 321289 QZVQWLDMPTXMFN-KRWDZBQOSA-N 311.772 2.905 0 40 DFAB Cc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1 360408 LWYOYSBLUPLFME-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CCc1nccn1[C@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 105896282 GZGNGYGYNQLEMQ-ZDUSSCGKSA-N 317.389 2.662 0 40 DFAB CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 3060545 VIFZPAQDRROLAH-CYBMUJFWSA-N 312.369 2.901 0 40 DFAB CCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)s1 47833276 LBAUFIZHZZITCA-AWEZNQCLSA-N 322.474 2.964 0 40 DFAB CCN(CC)CCC(=O)Nc1cc(OC)cc2cccnc12 1600856 KRKQMVCFZVXNHB-UHFFFAOYSA-N 301.390 2.914 0 40 DFAB O=C(NCc1nncn1C1CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 106450965 WGXYQRCUBFUNLT-UONOGXRCSA-N 316.792 2.686 0 40 DFAB COC(=O)CCCCCCNC(=O)c1cc(Cl)ccc1O 25051080 GCCRXKCMLVUZAI-UHFFFAOYSA-N 313.781 2.899 0 40 DFAB COCCN(Cc1ccccn1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106648226 OCECVGBZZAEJLD-JYJNAYRXSA-N 302.418 2.883 0 40 DFAB COc1ccc(CN(C(=O)c2ccncc2)C2CC2)c(OC)c1 25291935 NHEILTXGHRJVFG-UHFFFAOYSA-N 312.369 2.904 0 40 DFAB Cc1c(NCc2nc(Cc3ccccc3)no2)cccc1C(N)=O 55839067 UJLAMBPOERUKGR-UHFFFAOYSA-N 322.368 2.680 0 40 DFAB Fc1ccc(CN2CCN(CC3CCOCC3)CC2)c(F)c1 95409584 DDCNUJFOCGHJMW-UHFFFAOYSA-N 310.388 2.509 0 40 DFAB CC(=O)c1cn([C@@H](C)C(=O)NC[C@@H]2CCCO2)c2ccccc12 6955857 CYTWFSKYADGCEP-JSGCOSHPSA-N 314.385 2.700 0 40 DFAB CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 7066332 AJSSNSYUOUZLBB-STQMWFEESA-N 304.390 2.719 0 40 DFAB CC(=O)Nc1ccc(SCC(=O)Nc2ccncc2)cc1 12545569 LYWQJNKJNNLYIL-UHFFFAOYSA-N 301.371 2.771 0 40 DFAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1 12534196 FZCUGIVPTFYREZ-GFCCVEGCSA-N 315.398 2.695 0 40 DFAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccccc1 8300503 AVXPHLJEIAGMSI-YESZJQIVSA-N 317.502 2.771 0 40 DFAB biogenic,in-vitro C[C@H](NNC(=S)N1CCCC1)c1ccc2ccccc2n1 8672802 MTLLEBUSDCDMEA-LBPRGKRZSA-N 300.431 2.771 0 40 DFAB CCc1cccc2cc(-c3noc(CCC(=O)O)n3)c(O)nc12 22119578 UZAJYTFPQMRHQR-UHFFFAOYSA-N 313.313 2.570 0 40 DFAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccccn1 28235460 JLMNTGVYWYEPRJ-VIFPVBQESA-N 312.295 2.880 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1cccs1 44889611 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322.474 2.570 0 40 DFAB O=C(Nc1ccccn1)N[C@H](CN1CCCC1=O)c1ccccc1 46459127 APYXEMMGWMQUEC-OAHLLOKOSA-N 324.384 2.567 0 40 DFAB COc1cccc2cc(C(=O)NCCC3CCN(C)CC3)oc12 102640549 MYEBGMFAWDVTII-UHFFFAOYSA-N 316.401 2.903 0 40 DFAB CCCn1c(C)nnc1Cn1c(=O)n(CCC)c2ccccc21 95448484 QAPWZJANWHJSHG-UHFFFAOYSA-N 313.405 2.571 0 40 DFAB Cc1ccc([C@@](O)(CCNC(=O)C2CCC2)C(F)(F)F)o1 47473909 KFKNPVKIEKINRJ-ZDUSSCGKSA-N 305.296 2.644 0 40 DFAB O=C(NCc1ccc(O)cc1)Nc1ccn(Cc2ccccc2)n1 48229775 LWXKGGWVHNOIKH-UHFFFAOYSA-N 322.368 2.959 0 40 DFAB COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 48383514 UPQFLISLJSPBBE-DRZSPHRISA-N 321.348 2.679 0 40 DFAB CNc1ccccc1C(=O)OCC(=O)Nc1ccc(OC)cc1 3423610 BVQTVQZDSDXWGA-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(C)o1 3463934 IMAGSZJXRZMTJJ-UHFFFAOYSA-N 308.721 2.740 0 40 DFAB c1cc(CN[C@@H]2CCN(C3CC3)C2)cc(N2CCCCCC2)n1 95422135 BWFKVOSMTNUMMC-QGZVFWFLSA-N 314.477 2.788 0 40 DFAB CC(=O)N1CCCC[C@@H]1CCc1cnc(Br)cn1 72343911 HWQBWGBUHJDXPK-GFCCVEGCSA-N 312.211 2.573 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)c2ccnc(F)c2)no1 96001187 KSFXQAXDVVFDCH-LBPRGKRZSA-N 304.325 2.670 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc3c(c1)CCCC3)C2 65466686 WAMOWELCMYHZSW-SFHVURJKSA-N 323.440 2.744 0 40 DFAB CN(C)[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 65516769 CGQHMGINCXHVAF-SECBINFHSA-N 302.752 2.784 0 40 DFAB Cc1noc([C@H](C)NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)n1 65565612 ZXOFTHLHYXNDAN-BBDGERDGSA-N 301.346 2.985 0 40 DFAB COc1cccc(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)c1 4676349 LYSNMHZWSDBGHJ-ZZEZOPTASA-N 324.336 2.781 0 40 DFAB Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc(O)c(Cl)cc12 4742556 HYPOWWFBGTXUKJ-UHFFFAOYSA-N 321.760 2.625 0 40 DFAB Cn1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)cn1 93945139 ZOFSATOXDICFFX-UHFFFAOYSA-N 301.346 2.628 0 40 DFAB NC(=O)c1csc(C(=O)N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 95393279 BYPJVFIAFDIKPC-VXGBXAGGSA-N 320.801 2.786 0 40 DFAB Cc1cccc(N2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)c1 19897187 HLYUNNSSXXUEGH-SFHVURJKSA-N 320.392 2.685 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O 4923828 WLXXKRVNQWXWSH-OSAQELSMSA-N 319.401 2.798 0 40 DFAB CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cn1 96436461 ACBOLVABWVBVTA-GXTWGEPZSA-N 323.418 2.658 0 40 DFAB NC(=O)c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)o1 90179622 AHTHKXVYTXCIQQ-CYBMUJFWSA-N 304.321 2.521 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCOc1ccccc1 7457539 RRHDOTGZGKQSIY-RDJZCZTQSA-N 304.434 2.692 0 40 DFAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(N)=O 7546839 LPOGZLFCICUHRG-XJKSGUPXSA-N 307.397 2.763 0 40 DFAB Cc1noc(C)c1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 71899758 UMILRCXDPFVHBI-ZDUSSCGKSA-N 321.283 2.701 0 40 DFAB CC(=O)c1ccc(OC(=O)CCNC(=O)c2ccccc2)cc1 7655923 ZKDNJYZOEZMRRK-UHFFFAOYSA-N 311.337 2.615 0 40 DFAB CC[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 7737445 OXGROWLHFUXBFM-MRVPVSSYSA-N 303.189 2.638 0 40 DFAB CCN(C(=O)[C@H](C)[S@](=O)Cc1cc(C)on1)c1ccccc1 71859255 GPKCXVSLVVZZSL-XMHCIUCPSA-N 320.414 2.673 0 40 DFAB COc1ccc(OCCNC(=O)COc2cccc(C)c2)cc1 7815437 RISHRTLHFPPIBF-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1F 7990203 DANXTMPHWFOEIE-MGPLVRAMSA-N 319.307 2.982 0 40 DFAB CCC(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71902988 UAGZZVQGTKBXHP-CQSZACIVSA-N 300.324 2.844 0 40 DFAB COc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21 8047535 WYNCVXPMDKZZDH-QGZVFWFLSA-N 324.380 2.728 0 40 DFAB Cc1ccc(CNC(=O)CNc2cc(CO)ccc2Cl)cc1 68923581 SECDLMGSNJGNOL-UHFFFAOYSA-N 318.804 2.869 0 40 DFAB C[C@H](CC(=O)N1CCCCCC1)NC[C@@](C)(O)c1ccccc1 95422474 ZGOUAKBWPZTBQI-VQIMIIECSA-N 318.461 2.665 0 40 DFAB COCC[C@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 95448702 GPIZQQCOMZLYMO-XJKSGUPXSA-N 324.396 2.642 0 40 DFAB COc1ccc(C)cc1CN1CCC[C@@H]1Cn1nc(C)nc1C 69511816 ZWHIEVFRBPPQDM-QGZVFWFLSA-N 314.433 2.877 0 40 DFAB CCc1nc(CCNC(=O)Cc2ccccc2OC)sc1C 69559319 BXSZONHIAMNNNT-UHFFFAOYSA-N 318.442 2.924 0 40 DFAB Cc1nc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)CCC3)no1 97080882 DMLIRFSPZRHYCC-UHFFFAOYSA-N 314.345 2.561 0 40 DFAB O=C(Nc1cc(F)c(F)cc1F)N[C@@H](CO)Cc1ccccc1 97099463 YTHNFSIKVRYMHS-LLVKDONJSA-N 324.302 2.829 0 40 DFAB Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1csc(C2CC2)n1 69935932 JROAENWLBRWOJC-SECBINFHSA-N 319.434 2.623 0 40 DFAB C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1 18208259 WEUMEWFJARXIDM-VIFPVBQESA-N 308.765 2.553 0 40 DFAB CNc1ccccc1C(=O)O[C@@H](C)C(=O)NCc1ccccc1 8720418 NOVBRPFIGJRNBI-ZDUSSCGKSA-N 312.369 2.590 0 40 DFAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 98014151 PEHZJMJTDPBKDM-NVXWUHKLSA-N 313.401 2.626 0 40 DFAB O=S(=O)(CC[C@H]1CCCO1)N1CC=C(c2ccccc2)CC1 95966083 FLYLZLGBBPDBKD-QGZVFWFLSA-N 321.442 2.675 0 40 DFAB O=C(O)C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1cccs1 95956910 ULRCNWVSRTXZIK-LLVKDONJSA-N 315.354 2.570 0 40 DFAB COC(=O)[C@@H]1CCN(Cc2nc(C)c(C)o2)c2ccccc21 95976182 FCDLAKPJXTWFIK-CQSZACIVSA-N 300.358 2.958 0 40 DFAB O=C(Nc1cccc(Cl)c1F)N1CCCC2(C1)OCCO2 89768064 GEMQHNJHGIRENS-UHFFFAOYSA-N 314.744 2.850 0 40 DFAB O=C(c1cnc(-c2ccco2)s1)N1CCOc2ncccc21 89807759 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COc1ccccc1OCC(=O)O[C@@H]1CCC[C@H]1n1cccn1 78446297 RWOAHNSMXUZSML-ZIAGYGMSSA-N 316.357 2.608 0 40 DFAB C[C@H](C(=O)N1CCC[C@H]1CO)c1ccc(Br)cc1 133475615 RTUIDMHWHCFTND-GWCFXTLKSA-N 312.207 2.536 0 40 DFAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 225723060 ZRGYPLSFBCDKPM-GOSISDBHSA-N 320.433 2.771 0 40 DFAB CCOC(=O)c1ccc(C)c(NC(=S)NC[C@@H]2CCCO2)c1 225318961 AEHMSJFKXVDVQP-ZDUSSCGKSA-N 322.430 2.637 0 40 DFAB CCO[C@H](CNC(=O)NCc1nccs1)c1ccccc1 193450891 JPKUJJNHEAIPQO-CYBMUJFWSA-N 305.403 2.720 0 40 DFAB COC(C)(C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225599522 WKCHOGSMCKZKJF-UHFFFAOYSA-N 320.433 2.915 0 40 DFAB CCc1cc(CNC(=O)N(C)Cc2ncc(CC)s2)on1 83233063 VNIOANJVQXRPLF-UHFFFAOYSA-N 308.407 2.598 0 40 DFAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1C 225884205 NIIKOCXIDWURDP-MRXNPFEDSA-N 310.394 2.559 0 40 DFAB C[C@@H](NS(=O)(=O)C1(C)CC1)c1ccc(-n2cccn2)c(F)c1 577261913 DOZYXNYVKFEXOE-LLVKDONJSA-N 323.393 2.544 0 40 DFAB c1ccc(N[C@@H]2COC3(CCN(Cc4ccncc4)CC3)C2)nc1 96221300 RYZHXCBYJDFURB-KRWDZBQOSA-N 324.428 2.712 0 40 DFAB CCn1cncc1S(=O)(=O)N(C)c1cccc(C(C)C)c1 331220893 UQKYXYSVQCZUER-UHFFFAOYSA-N 307.419 2.852 0 40 DFAB CSC[C@H](C)C(=O)NCCc1nc(C(F)(F)F)cs1 96432825 MLJPNLGRVLLBJZ-ZETCQYMHSA-N 312.382 2.820 0 40 DFAB Cc1ccc(-c2c(S(C)(=O)=O)sc3[nH]nc(N)c23)cc1 96532160 LSODEIDPIBVESB-UHFFFAOYSA-N 307.400 2.586 0 40 DFAB O=C(c1ccsc1)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046128 OVDCVJMHRZKKAD-NILFDRSVSA-N 315.398 2.530 0 40 DFAB CC(=O)N1CCC[C@H](c2cncc(-c3ccnn3C(C)C)n2)C1 257252368 JUOREFZCCRUPOE-AWEZNQCLSA-N 313.405 2.647 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)s1 257306935 SWPYSDKCUXTDNW-NSHDSACASA-N 324.837 2.708 0 40 DFAB Cc1nccc(N2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)n1 257217871 DAYLPDQARYALQO-BFYDXBDKSA-N 309.417 2.670 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cn1 26860047 OJRWPLMCZHPRAS-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(O)n3)C2)cn1 257287382 PPRQEVZTAJXHAU-HNNXBMFYSA-N 311.385 2.586 0 40 DFAB Cc1cc(N(C)C)cc([C@H]2CCN(Cc3cncs3)C2)n1 257299439 RQBZMHALXGKVHQ-ZDUSSCGKSA-N 302.447 2.902 0 40 DFAB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncccn1 95075551 WBUVTYKNXRYVGK-UHFFFAOYSA-N 306.410 2.560 0 40 DFAB Cc1cc([C@H]2CCCN2CCc2nc3ccccc3c(=O)[nH]2)on1 44978977 MRHDIEIUUWSCAC-OAHLLOKOSA-N 324.384 2.599 0 40 DFAB C[C@H]1CN(c2ccccc2NC(=O)NCC2CC2)C[C@@H](C)O1 47809239 RJWNACAMMQPRIL-BETUJISGSA-N 303.406 2.832 0 40 DFAB CCN1CCC(CNC(=O)CCCOCc2ccccc2)CC1 50610699 VVQDGEZFEYNMFI-UHFFFAOYSA-N 318.461 2.832 0 40 DFAB C[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 57456584 FIIQNOQNFYKNRR-JTQLQIEISA-N 311.813 2.615 0 40 DFAB O=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(F)cc1 203078 ASHJNZXVABAAPP-QPEQYQDCSA-N 302.330 2.980 0 40 DFAB aggregator Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)c(C)c1 5258097 HQJIFRSWGKKLLP-HNNXBMFYSA-N 304.390 2.571 0 40 DFAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1 5672680 WMJDIGVFAAPQGL-KRWDZBQOSA-N 311.381 2.899 0 40 DFAB Cc1ncc(C(=O)Nc2cccc(-c3csnn3)c2)c(C)n1 12202061 AZXQXRGHQGKSBM-UHFFFAOYSA-N 311.370 2.864 0 40 DFAB COc1cccc(C(=O)NCCCN2CCc3ccccc32)c1 13648475 XHHWXONGJDAZTI-UHFFFAOYSA-N 310.397 2.878 0 40 DFAB CCOC(=O)c1o/c(=N\C(=O)c2ccccc2)sc1OCC 16245281 FPWGLKKXYOXWHR-FOCLMDBBSA-N 321.354 2.658 0 40 DFAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1C 18038352 VVAATYRYHFSJAX-TXEJJXNPSA-N 310.467 2.649 0 40 DFAB CC(=O)N1CC[C@@H](c2nc(C)cc(NCc3ccccc3)n2)C1 19118409 HEIYELHEAXKUGR-MRXNPFEDSA-N 310.401 2.733 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19368702 VWTAMZGTWLHNTK-CQSZACIVSA-N 306.325 2.719 0 40 DFAB CO[C@H]1CCCN(Cc2cnn(C)c2)[C@H]1Cc1ccc(F)cc1 643914398 QMRWLDPQELQCBH-ROUUACIJSA-N 317.408 2.781 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)c1 9572777 SIWBUTAOSZXDOB-UHFFFAOYSA-N 316.382 2.599 0 40 DFAB O=C(Cn1cccn1)NCc1ccc(OCc2ccccc2)cc1 38679472 WOPGRLGYOXVVGW-UHFFFAOYSA-N 321.380 2.779 0 40 DFAB Cc1ccc2c(CC(=O)N[C@@H](C)c3nncn3C)coc2c1C 40116096 OSIWPSONARZZJE-LBPRGKRZSA-N 312.373 2.598 0 40 DFAB COc1ccccc1Nc1nc2ncc3c(c2c(=O)[nH]1)CCC3 30907117 ZZXKIEBSROHZME-UHFFFAOYSA-N 308.341 2.559 0 40 DFAB CCCNC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 50721243 JURGWPRLLCMPEN-AWEZNQCLSA-N 306.406 2.583 0 40 DFAB COc1cccc(CN(C)CC2=CSC3=NCCCN23)c1 101083835 ACJHEFASLRKQGN-UHFFFAOYSA-N 303.431 2.777 0 40 DFAB C1=CCN([C@H]2CCN(c3ncnc4c3oc3ccccc34)C2)C1 101341806 GYVVZRBOYBJVBK-ZDUSSCGKSA-N 306.369 2.827 0 40 DFAB C[C@@H](Cn1cccn1)n1cnc2cccc(C(F)(F)F)c2c1=O 32551068 PWUVRFRBCVGQBZ-JTQLQIEISA-N 322.290 2.873 0 40 DFAB CNC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1C 32916032 VPIPHRKTKRIQTM-UHFFFAOYSA-N 322.364 2.769 0 40 DFAB Cn1ncc2c(N3CCC[C@@H]3Cc3cccc(F)c3)ncnc21 52429780 PVRWENKZYIDOPK-CQSZACIVSA-N 311.364 2.714 0 40 DFAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 568609 ZSPMLHNDNPOUBY-UHFFFAOYSA-N 300.383 2.896 0 40 DFAB CC(C)c1noc([C@H](C)N2CCN(c3ccc(O)cc3)CC2)n1 23053577 OENBFFIPNFDTTQ-ZDUSSCGKSA-N 316.405 2.782 0 40 DFAB Cc1nnsc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 135230 OBVVUUCRLXENFP-UHFFFAOYSA-N 316.361 2.665 0 40 DFAB CCn1c(SCC(=O)NCc2ccccc2)nnc1C(C)C 410474 VKIUAZDPTAYPNP-UHFFFAOYSA-N 318.446 2.830 0 40 DFAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 508223 BGTZSQTUUKHIRD-WKQSXUEFSA-N 303.745 2.747 0 40 DFAB O=C1c2ccc(Br)cc2C(=O)N1c1cccnc1 3099587 ANUDCYQLKRBVJO-UHFFFAOYSA-N 303.115 2.645 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](N(C)C)C2)on1 84727741 FUEFCJZJMKVDOV-CQSZACIVSA-N 322.453 2.814 0 40 DFAB CCC(=O)Oc1ccc(C(OC(=O)CC)OC(=O)CC)cc1 1676068 LYXUKWICVFPJCL-UHFFFAOYSA-N 308.330 2.907 0 40 DFAB CCCCn1nc(C)c(/C=C/C(=O)N[C@H](C)CCO)c1Cl 95441495 FPJBYXADNVEBBO-XUIVZRPNSA-N 313.829 2.545 0 40 DFAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCO[C@@H]2CCC[C@@H]21 56197658 PKDRVNUHADEPOH-LSDHHAIUSA-N 316.332 2.874 0 40 DFAB COc1ccc(OC)c([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c1 26221561 RRUBTDMYXBFCHL-PXAZEXFGSA-N 314.385 2.581 0 40 DFAB COCCn1cc(C(=O)Nc2nccs2)c2ccccc21 57429300 DSQKMSZXVMKCJP-UHFFFAOYSA-N 301.371 2.997 0 40 DFAB Cc1cc(CN2CC[C@H]3OCCC[C@@]3(COC(C)C)C2)no1 107712868 IQCVQZJEXSSRCX-SJORKVTESA-N 308.422 2.779 0 40 DFAB Cc1ccccc1C1CCN(C(=O)CN2CCCOC2=O)CC1 95409518 SBUDMFZLEZXJRZ-UHFFFAOYSA-N 316.401 2.543 0 40 DFAB COc1c(Cl)cc(Cl)cc1CNn1cn[nH]c1=S 8469579 FFZQSHBKQHRAQC-UHFFFAOYSA-N 305.190 3.000 0 40 DFAB CCOC(=O)CN(C(=O)Cc1ccc2ccccc2c1)C1CC1 58023298 FZCGDHYMUSELBF-UHFFFAOYSA-N 311.381 2.936 0 40 DFAB O=C(NCC(=O)N(Cc1ccsc1)C1CC1)c1ccccc1 58267461 PZVSFMJXRYTDDS-UHFFFAOYSA-N 314.410 2.669 0 40 DFAB O=C1OCCN1CCCSc1nc2cc(F)c(F)cc2[nH]1 58358220 OAXMIKKUKKWBBX-UHFFFAOYSA-N 313.329 2.776 0 40 DFAB CCCN(CC(=O)NC)C(=O)c1ccc(N(CC)C(C)C)cc1 58432231 ZRNALHBAUGVYQR-UHFFFAOYSA-N 319.449 2.520 0 40 DFAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ncccn2)cc1 2380991 CHMHASHDKBUHSG-UHFFFAOYSA-N 314.414 2.901 0 40 DFAB COc1ccc([C@@H]2SCC(=O)N2Cc2cccnc2)cc1 27754699 VAXAJOUNWRXLNR-INIZCTEOSA-N 300.383 2.864 0 40 DFAB CN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCCC1 45906272 IRSYSWAUONORSZ-UHFFFAOYSA-N 316.401 2.689 0 40 DFAB CN(C(=O)NCCc1nc2ccccc2s1)C1CCOCC1 74865803 LTRAIJSEEHFAPG-UHFFFAOYSA-N 319.430 2.659 0 40 DFAB CC(C)OCCCNC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C 75107606 AXJUHJQZDWJYFU-SJLPKXTDSA-N 318.461 2.796 0 40 DFAB CCN1CCN(c2ccc(NC(=O)C3CCC3)cc2C)CC1 12742490 KPCDPCOKRJXUAX-UHFFFAOYSA-N 301.434 2.876 0 40 DFAB O=C(CCNC(=O)c1ccco1)Nc1ccccc1OC(F)F 3331235 JSBFTLVBAOEHKP-UHFFFAOYSA-N 324.283 2.640 0 40 DFAB CC(C)(C)c1nnc(CNC(=O)c2cc(F)ccc2O)s1 89761546 GVADPEZQSSZKMU-UHFFFAOYSA-N 309.366 2.610 0 40 DFAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(N)cc2Cl)c1 12821423 YRXPJZAAILNCSG-UHFFFAOYSA-N 324.789 2.578 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2oc3ccccc3c2C)no1 3550062 GRQPOVASGVDTBK-UHFFFAOYSA-N 314.297 2.833 0 40 DFAB CCOc1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1 3508044 BHVROAHVLRSORF-UHFFFAOYSA-N 315.325 2.586 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCC(C)C)cc1 13004431 MRKFJSVLHQKIMF-GFCCVEGCSA-N 312.435 2.748 0 40 DFAB C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2ccccc2)o1 93384218 SDZWBOSEFHZFMO-CYBMUJFWSA-N 307.415 2.812 0 40 DFAB Fc1cc(F)cc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1 4285002 AXRKMYHOKGOQCV-UHFFFAOYSA-N 324.294 2.998 0 40 DFAB O=c1oc2cc(OCc3nn[nH]n3)ccc2cc1-c1ccccc1 6196170 FTCXEVIWKZYGCT-UHFFFAOYSA-N 320.308 2.552 0 40 DFAB O=C(NCCc1cc(F)ccc1F)N[C@H](CO)c1ccccc1 89826371 DPIXHJMRKMATQF-MRXNPFEDSA-N 320.339 2.540 0 40 DFAB CC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1 5378548 YRBGAGMHHBLJQC-UHFFFAOYSA-N 312.325 2.823 0 40 DFAB CC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 96408122 ZFBNHCGPYFRINS-HNNXBMFYSA-N 316.426 2.674 0 40 DFAB CC[C@@H](CNc1ccc2nnc(C)n2n1)Oc1ccccc1F 96452692 HCORLCBCZHTSJM-LBPRGKRZSA-N 315.352 2.841 0 40 DFAB O=C(NCC(F)F)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490521 IXTHBQJJAPYFRY-CMPLNLGQSA-N 304.724 2.734 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N[C@@H]1CCc2cc(F)ccc21 96421480 BGHYPHYROPIDIB-JJXSEGSLSA-N 318.392 2.926 0 40 DFAB O=c1c2ccsc2ncn1Cc1nc(-c2ccsc2)no1 7024511 VMPYAVVRXRDYTI-UHFFFAOYSA-N 316.367 2.618 0 40 DFAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C)c2cccnc23)s1 306123216 AHNJKPJQIWZLTN-QGZVFWFLSA-N 313.426 2.685 0 40 DFAB Cc1cc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)no1 71821997 KNYBEUVZQFGQCR-UHFFFAOYSA-N 323.356 2.779 0 40 DFAB Cc1ccc(C[C@@H](C)NC(=O)CCN2CCSC2=O)c(C)c1 71888936 ZFYWFGOTOUZHHT-CQSZACIVSA-N 320.458 2.910 0 40 DFAB O=c1oc2cc(Cl)ccc2n1Cc1nc(-c2ccco2)no1 69564077 MAIWTQSZNMSFSS-UHFFFAOYSA-N 317.688 2.939 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](n2ccnc2)C1 69661556 XZLUXCFVBURIBG-CYBMUJFWSA-N 301.415 2.911 0 40 DFAB CCOCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C 69847493 RXWJSLAOXPJWEO-OKZBNKHCSA-N 312.498 2.624 0 40 DFAB c1ccc(-c2cnc(CN3CCC[C@@H](Cn4cncn4)C3)o2)cc1 69927953 ATKTYUWGBVVHKY-OAHLLOKOSA-N 323.400 2.845 0 40 DFAB CCC[C@H]1Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 8856477 GMVIMFYEGITHQX-VIFPVBQESA-N 301.371 2.774 0 40 DFAB COC[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)C1 84157136 SKSKKGRAUAHHAC-JKSUJKDBSA-N 320.433 2.830 0 40 DFAB C[C@H](O)c1ccccc1NC(=O)c1ccc(N2CCCC2)nc1 97046323 ZYRSYWQFXCBCKC-ZDUSSCGKSA-N 311.385 2.987 0 40 DFAB COc1cc(Cl)ccc1C(=O)OCc1ccccc1C(N)=O 72273564 RKPGFEBDHUGZOY-UHFFFAOYSA-N 319.744 2.805 0 40 DFAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1cccnc1 97145638 IBEMWRPXBFKCSN-INIZCTEOSA-N 310.397 2.869 0 40 DFAB Cc1sc([C@@H](C)NCC(N)=O)nc1-c1ccc(Cl)cc1 97112372 FDUKCYMZWNCPJJ-MRVPVSSYSA-N 309.822 2.908 0 40 DFAB O=S(=O)(NC1CCCCCC1)c1cnn(-c2ccccc2)c1 84576686 OOIUVNBGJPUOPL-UHFFFAOYSA-N 319.430 2.873 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)no1 95954194 MVQYPRKTLDHOCI-OAHLLOKOSA-N 323.356 2.541 0 40 DFAB CCCC(=O)N1CCC(OC(=O)Cc2ccc(Cl)nc2)CC1 95395383 BZBJXHSHORUTRO-UHFFFAOYSA-N 324.808 2.612 0 40 DFAB CS[C@H]1CCCC[C@@H]1NC(=O)NCCCn1ccnc1C 95399880 TVMWKDDSBPUKEI-KBPBESRZSA-N 310.467 2.555 0 40 DFAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)OC 409107908 XZMGWDMNSKXGMU-UHFFFAOYSA-N 305.403 2.544 0 40 DFAB O=C(O)c1coc(CN2CC=C(c3ccc(F)cc3)CC2)n1 515660115 MOKDZWWIVSDDPQ-UHFFFAOYSA-N 302.305 2.801 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)nc1)C1(c2ccccc2)CC1 26491029 XSFXVCHAEFZVOW-UHFFFAOYSA-N 323.396 2.589 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n1 185713342 ZXCSWWKNIQARST-UHFFFAOYSA-N 321.402 2.681 0 40 DFAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1cccc(F)c1 36635739 CZNKSXKCEMVFBS-CQSZACIVSA-N 302.280 2.709 0 40 DFAB CCN1CCN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2C)CC1 44846454 NCFPOHFAZRGRGR-INIZCTEOSA-N 304.434 2.543 0 40 DFAB CCn1cc(CN(C)Cc2ccc(C(=O)O)c(Cl)c2)cn1 564461011 GQYGMNVXMHJLNS-UHFFFAOYSA-N 307.781 2.887 0 40 DFAB CC(C)(C)c1ncc2c(n1)CCN(Cc1ccoc1C(=O)O)C2 528748236 IGPZDYQBEVJINJ-UHFFFAOYSA-N 315.373 2.624 0 40 DFAB Cc1cccc(OCCC(=O)N2CCC[C@H]2c2ncon2)c1 569393418 CTCVMKKQAWXFLF-AWEZNQCLSA-N 301.346 2.511 0 40 DFAB O=C(NCc1ccccc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344685 XXEKOCGISQRQDW-JKSUJKDBSA-N 309.365 2.878 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1OC 224792408 LQKOMTCYMBYDRG-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB COC(=O)c1ccc(CO[C@H]2CCCc3c[nH]nc32)cc1F 190167125 DYNJWPHKQGHGKM-AWEZNQCLSA-N 304.321 2.930 0 40 DFAB O=C(NCCCn1cccn1)c1c(O)cc(Cl)cc1Cl 96449179 AYJXWZOIQCNZBM-UHFFFAOYSA-N 314.172 2.716 0 40 DFAB c1ccc2c(c1)OC[C@H](CCn1cc(-c3nccs3)nn1)O2 95374977 DXZAOWOYUNBIGZ-NSHDSACASA-N 314.370 2.632 0 40 DFAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1 95472418 DVBTVVKFEMBSPT-QGZVFWFLSA-N 313.401 2.559 0 40 DFAB COc1cccc([C@@H](C)Cc2nc(C(C)(C)NC(C)=O)no2)c1 96460627 JEAWFLJZCGHPJS-NSHDSACASA-N 317.389 2.796 0 40 DFAB Cc1ccc(C[S@](=O)[C@@H](C)C(=O)NCC(F)(F)F)cc1C 95412203 HIWIPWCDTZYKRS-WIUDPPPLSA-N 321.364 2.619 0 40 DFAB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 95869821 SSQBIAASJLLCNA-MOBHRDKOSA-N 304.430 2.850 0 40 DFAB CC(C)(C)C[C@H](NC(=O)N1CCC2(C1)OCCO2)C(F)(F)F 97376595 DIXWTBJFWMEMTA-JTQLQIEISA-N 324.343 2.512 0 40 DFAB Cc1csc(NC(=O)N2CCN(c3cccc(O)c3)CC2)n1 97306560 ZRYRTWICVUPDFL-UHFFFAOYSA-N 318.402 2.511 0 40 DFAB CN[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 580659197 RLUXPFZVTPHLOD-HNNXBMFYSA-N 312.413 2.832 0 40 DFAB COCCO[C@@H]1CCN(C(=O)C2CCC2)[C@H]1Cc1ccccc1 96261309 AUDXWEJCXIVCQT-ZWKOTPCHSA-N 317.429 2.662 0 40 DFAB CC[C@@](Cl)(C(=O)c1ccc(OC)cc1)S(=O)(=O)CC 96518457 ZGRLUHDBCJYTLK-ZDUSSCGKSA-N 304.795 2.658 0 40 DFAB COCCN1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C 248835287 MEGWTMPCMXFIQJ-KZNAEPCWSA-N 324.509 2.909 0 40 DFAB O=C(CCOc1ccccc1)N1CCC[C@@H](c2cnccn2)C1 257234671 GUOWNXIOWSDGAE-OAHLLOKOSA-N 311.385 2.652 0 40 DFAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 257207754 BJBRHEUCZAMYPM-AWEZNQCLSA-N 301.365 2.806 0 40 DFAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C2CCC2)C3)n1 253601049 HYLQPWFBGPJPLG-HNNXBMFYSA-N 317.433 2.587 0 40 DFAB COc1ccc(CC(=O)NCCCN2CCC[C@H](C)C2)cc1C 260767518 NBULIUTZUDIGPP-HNNXBMFYSA-N 318.461 2.784 0 40 DFAB CN1CCc2cc([C@@H](O)CNC(=O)Nc3cccs3)ccc21 96363043 CKXXACRJKLPNGG-AWEZNQCLSA-N 317.414 2.596 0 40 DFAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cc2ccncc2)cc1 585277182 MWVGLQHXDYBCQY-OALUTQOASA-N 324.424 2.527 0 40 DFAB Cc1ccccc1N(C(=O)CCNC(=O)[C@@H]1C[C@@H]1C)C(C)C 69419405 TVXUYJBYINFLJQ-LSDHHAIUSA-N 302.418 2.899 0 40 DFAB CN(Cc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)nc1 32802698 CEOPKQVZQJZPIU-UHFFFAOYSA-N 321.384 2.609 0 40 DFAB O=C(NC1CC1)c1cc(NC(=O)N2CCCC2)ccc1Cl 44972940 JLGHLUYMLRAYOD-UHFFFAOYSA-N 307.781 2.860 0 40 DFAB CCCN1C(=O)C2(CCCCC2)N[C@H]1c1c(C)nn(C)c1C 78761952 FGRPGNFLFDNNCU-OAHLLOKOSA-N 304.438 2.580 0 40 DFAB CCCN(C(=O)NCc1cccnc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 77321484 KZISLFHUYRTGKI-OAGGEKHMSA-N 317.433 2.817 0 40 DFAB Cc1ccn2cc(C(=O)N[C@H](C)[C@@H]3COc4ccccc43)nc2c1 89700878 UCDKWXVNOVMGGB-HIFRSBDPSA-N 321.380 2.937 0 40 DFAB O=C(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1ccccc1 95998171 HSNWBLWFRCHESM-MRXNPFEDSA-N 318.380 2.690 0 40 DFAB CCOc1cc(C)c(S(=O)(=O)n2ccnc2)cc1C(C)C 11566432 VIBFWWOJLGNFDK-UHFFFAOYSA-N 308.403 2.951 0 40 DFAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)Cc1cccs1 12156122 FNFRPWJCCSMQOF-OAHLLOKOSA-N 315.394 2.812 0 40 DFAB COc1ccccc1C[C@@H](C)NC(=O)c1cnc(SC)nc1 12197039 XBPKITJRDWWJDB-LLVKDONJSA-N 317.414 2.568 0 40 DFAB CC(C)c1nn(C)cc1CN(C)C(=O)c1ccc(O)cc1F 164963501 PJTNKIBNTWILKA-UHFFFAOYSA-N 305.353 2.660 0 40 DFAB Cn1ccc(C(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225946 BUASJFUXGOSXEY-LBPRGKRZSA-N 318.427 2.652 0 40 DFAB Cc1ccc(CC(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)cc1 12114744 SOTIDYMTWOBTOW-CYBMUJFWSA-N 321.384 2.595 0 40 DFAB COCc1ccccc1CNC(=O)/C=C/c1c(C)nn(C)c1C 25793841 WNRXPVWTASHGID-MDZDMXLPSA-N 313.401 2.513 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)c2ccccc21 2037684432 GEQOZWNHQIXPKA-CQSZACIVSA-N 322.412 2.996 0 40 DFAB Cc1cnc(C)c(OC2CCN(Cc3csc(C)n3)CC2)n1 2087122350 HKNMLTHVDMAESG-UHFFFAOYSA-N 318.446 2.902 0 40 DFAB CN1C(=O)CC[C@@]12CCCN(c1ncc3sccc3n1)CC2 1565542514 KKYBIXJVZUTPEH-MRXNPFEDSA-N 316.430 2.673 0 40 DFAB CCOC(=O)c1c(SCc2cccc(C)c2)nc(=O)[nH]c1C 5251652 QHMHJNDZLHDWQS-UHFFFAOYSA-N 318.398 2.856 0 40 DFAB C[C@]1(C(=O)N2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC=CCC1 2055837492 NAFNKFIPSVULIS-WDSOQIARSA-N 319.445 2.919 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccccc3Cl)nc2s1 30283183 ANIFMHNDHKPKAC-UHFFFAOYSA-N 320.805 2.979 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1csc(-c2ccco2)n1 40052349 LOIUJYDFMYWRQH-NSHDSACASA-N 305.403 2.617 0 40 DFAB CC1(C)Cc2cccc(OCCNC(=O)c3cccnc3)c2O1 40074743 ZDYCRPQFQDMAPS-UHFFFAOYSA-N 312.369 2.604 0 40 DFAB Cc1ccccc1NC(=O)C1(N2CCOCC2)CCCCC1 20149853 USRXYGXPFMUNRB-UHFFFAOYSA-N 302.418 2.969 0 40 DFAB Cc1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)nc1 31215435 PEUMAARZWPKFFM-UHFFFAOYSA-N 324.336 2.822 0 40 DFAB Cc1cccc(OCC(=O)N2CCC(CN3CCCC3)CC2)c1 40541763 USCQHLPWYLDVHS-UHFFFAOYSA-N 316.445 2.708 0 40 DFAB C[C@H](Sc1ncn[nH]1)C(=O)N1CCC(c2ccccc2)CC1 40555370 RGPGIWLMKXDSPA-LBPRGKRZSA-N 316.430 2.692 0 40 DFAB COc1cccc([C@H]2CC(=O)Nc3n[nH]cc32)c1OCC(C)C 20715660 FCODRRRQPDUQIG-GFCCVEGCSA-N 315.373 2.927 0 40 DFAB Cc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 244507 FFHDASNWZPGFTB-LBPRGKRZSA-N 308.337 2.618 0 40 DFAB CC(C)OCCCNC(=O)NCc1nc2ccccc2s1 32795194 WPJFRPUAUGAZKZ-UHFFFAOYSA-N 307.419 2.911 0 40 DFAB CC1=C(C(=O)OC(C)C)[C@H](c2c(F)cccc2F)NC(=O)N1C 350472 WDRMFFRWHVOYLP-CQSZACIVSA-N 324.327 2.887 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(c2ccccc2)=NO1 33149512 GXXKWUBLWYGWAI-LBPRGKRZSA-N 314.370 2.547 0 40 DFAB Cc1cc(C(=O)NCc2cccc(Cn3nc(C)cc3C)c2)on1 54031560 MQWYKFCWHTWVTJ-UHFFFAOYSA-N 324.384 2.775 0 40 DFAB Cc1cc(CN(C)[C@H](C)C(N)=O)cc(C)c1OCC(F)(F)F 54394348 UWFNLIOUQSGISE-LLVKDONJSA-N 318.339 2.550 0 40 DFAB Cc1cc(NC(=O)NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 33674 UKCVAURUDUCLCA-UHFFFAOYSA-N 312.251 2.699 0 40 DFAB Cc1ccnc2c(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc12 82526 OMDOANCHDHLPKH-CRJCFHLZSA-N 304.349 2.855 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nnc3ccccn23)C1 106024453 ACSCTWBOVUSHBV-XQQFMLRXSA-N 318.446 2.714 0 40 DFAB Cc1ccc2nc(C)c(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)cc2c1 78896559 ORJJCHUWLPVYMT-SCLBCKFNSA-N 311.429 2.874 0 40 DFAB COc1ccc2c(c1)CCC1=C2CC[C@H](C(=O)O)[C@@]1(C)C(=O)O 1644685 GUWQXSOYJZJBPE-QAPCUYQASA-N 316.353 2.981 0 40 DFAB C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 84700112 QPDVGROVGOBJFZ-WBVHZDCISA-N 308.466 2.526 0 40 DFAB Cc1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1 4707912 FTCXTANXUNVWNR-UHFFFAOYSA-N 323.440 2.927 0 40 DFAB COc1ccc(NC(=O)COc2ccc(CO)cc2Cl)cc1 4741117 CQBLORKQAQADFF-UHFFFAOYSA-N 321.760 2.858 0 40 DFAB CC(C)[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC(C)(C)C 4898620 BLNRCLVXBGUIFJ-GFCCVEGCSA-N 312.797 2.831 0 40 DFAB CS[C@@H]1CCC[C@H]1N(C)C(=O)NCCN1CCCC[C@@H]1C 107147318 LXBPBLCADIOPAS-RRFJBIMHSA-N 313.511 2.786 0 40 DFAB COc1ccc(Cl)cc1CN[C@@H](C(N)=O)c1ccccc1 56161756 HADDPBWGHQXHGZ-OAHLLOKOSA-N 304.777 2.665 0 40 DFAB CSc1ccc(COC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100939086 UYRUDUWLPYMHLW-NZBPQXDJSA-N 318.394 2.975 0 40 DFAB O=C(c1ccc(Cl)s1)N1CCS[C@@H]2COCC[C@@H]21 95425919 PKAWFWXEEUARGN-WCBMZHEXSA-N 303.836 2.748 0 40 DFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OC[C@@H]1CCCCO1 8345941 LNLGMHOZWYQYLE-FZMZJTMJSA-N 321.398 2.602 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccccc2)c1C 58166959 MQKHHLVEBKJODT-UHFFFAOYSA-N 314.385 2.733 0 40 DFAB Cc1nc(NC(=O)[C@H](OC[C@H]2CCCO2)C(C)C)sc1C 58363324 JTYZMGYZAMIXFL-CHWSQXEVSA-N 312.435 2.919 0 40 DFAB CN(C)c1cccc(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c1 58329354 AEWZPDDASIKOKQ-UHFFFAOYSA-N 321.380 2.524 0 40 DFAB Cc1ccccc1OCn1ccc(C(=O)NCc2cccnc2)n1 27972205 QUOHKDWFGFLIMD-UHFFFAOYSA-N 322.368 2.553 0 40 DFAB CCNC(=O)C1CCN(Cc2csc(-c3ccco3)n2)CC1 28972569 NRKIZHNIPVORSN-UHFFFAOYSA-N 319.430 2.751 0 40 DFAB COc1ccccc1Cn1c(C(=O)O)cc2ccccc2c1=O 11690329 FVLIGPQAXGQYBX-UHFFFAOYSA-N 309.321 2.757 0 40 DFAB biogenic COc1ccc(OCC(=O)Nc2onc3c2CCCC3)cc1 11914316 NTIIQVTVLXJMHI-UHFFFAOYSA-N 302.330 2.580 0 40 DFAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Cl)cn1 2623142 BBXVDKVVAOPTJS-UHFFFAOYSA-N 318.760 2.850 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCCOc2cccc(C)c2)c1 12397876 MTJAYXAQJFKRIV-UHFFFAOYSA-N 300.358 2.725 0 40 DFAB Cc1ncc(CN(C)Cc2csc(-c3ncccn3)n2)s1 48299814 YLOAQYBLQNVHKX-UHFFFAOYSA-N 317.443 2.997 0 40 DFAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1ccccc1F 12757135 SUYCSRYNEVXOKX-CYBMUJFWSA-N 324.355 2.957 0 40 DFAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CSCC2=O)cc1 12806286 GMDMNRHIRIRBMF-CYBMUJFWSA-N 320.458 2.595 0 40 DFAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(Cl)ccc1OC 3446661 DUZRIOPWBHQJHH-SNVBAGLBSA-N 313.781 2.810 0 40 DFAB COc1ccc(C(C)=O)cc1Cn1c(C)nc2ccccc2c1=O 3491446 YMMBDEZQCOFWOB-UHFFFAOYSA-N 322.364 2.964 0 40 DFAB C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1 12985212 AIOLYVNUZWVGEO-ZDUSSCGKSA-N 313.405 2.565 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 13012407 VPCVKBSAYJFMCI-LLVKDONJSA-N 311.341 2.571 0 40 DFAB O=C(Cc1cccc(O)c1)N(Cc1ccco1)C[C@@H]1CCCO1 95429521 NLJXTOPGLSPAEB-KRWDZBQOSA-N 315.369 2.736 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2F)c1 9299872 WYVYJVIHIMEXTF-UHFFFAOYSA-N 300.333 2.893 0 40 DFAB O=C(NCCN1CCCCC1)c1ccc(Cl)nc1Cl 4110092 KAOOASBGFGICKE-UHFFFAOYSA-N 302.205 2.604 0 40 DFAB Cc1nc(CNC(=O)N(Cc2ccccn2)C2CC2)cs1 65444455 KDDGLCSOLHDTAB-UHFFFAOYSA-N 302.403 2.721 0 40 DFAB CCCN(CCO)C(=O)Nc1ccc(C)cc1Br 65562137 WPFUJYCKYBBAKS-UHFFFAOYSA-N 315.211 2.994 0 40 DFAB COc1cccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 65547648 ORKUHCZILSVTHE-UHFFFAOYSA-N 323.356 2.802 0 40 DFAB CC(C)(C)OCc1cccc(CNC(=O)NC[C@H]2CCCO2)c1 65610238 FIAHDTSPFLRLMC-MRXNPFEDSA-N 320.433 2.980 0 40 DFAB Cn1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)ccc1=O 65655633 UWUUJXRDPKBAOG-UHFFFAOYSA-N 322.364 2.801 0 40 DFAB CCc1ccc(-c2nnn(CC(=O)c3cccc(OC)c3)n2)cc1 14240026 JCGDIUCFDZVFNX-UHFFFAOYSA-N 322.368 2.794 0 40 DFAB C[C@H](CN(C)c1ccccc1)Nc1cc(=O)n2ccccc2n1 65946930 CVXMVVYWVHYHPY-CQSZACIVSA-N 308.385 2.631 0 40 DFAB CC(C)c1cnc(S(=O)(=O)C[C@H]2CCCCO2)n1C1CC1 95407255 ARGWSAJBPFTRQI-CYBMUJFWSA-N 312.435 2.684 0 40 DFAB O=c1oc(-c2cccs2)nn1CCOc1ccc(F)cc1 7251986 LIKAOSGRYXCSMF-UHFFFAOYSA-N 306.318 2.783 0 40 DFAB O=S(=O)(NC1CCCC1)c1ccccc1Br 7375653 FYHVTWJCMRGMLY-UHFFFAOYSA-N 304.209 2.670 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)s1 7313863 GYCUCDPFOQEVLV-QFYYESIMSA-N 320.414 2.740 0 40 DFAB C[C@H]1Sc2ccc(C(=O)NCCc3ccco3)cc2NC1=O 15789015 UVEFGHWOTXJQPZ-SNVBAGLBSA-N 316.382 2.685 0 40 DFAB COc1ccc(Cl)cc1NS(=O)(=O)N1CCC(C)CC1 7616201 KWXQJUHCBAVROG-UHFFFAOYSA-N 318.826 2.737 0 40 DFAB C[C@@H](NC(=O)CSc1ccccn1)c1ccc2c(c1)OCO2 7700025 VMXSGQRRUDWMFZ-LLVKDONJSA-N 316.382 2.780 0 40 DFAB O[C@@]1(CN[C@H](c2ccccc2)c2ccc(F)cc2)CCOC1 90850183 LVXOSLHWNIUOQS-QZTJIDSGSA-N 301.361 2.656 0 40 DFAB CCn1ccnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c1=O 91015098 WEFSZFJSHDHHOG-GFCCVEGCSA-N 319.792 2.574 0 40 DFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2NC1=O 8014288 KOTOLQSGVVGGED-MRVPVSSYSA-N 318.279 2.937 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)[C@H]2Cc3ccccc3O2)o1 71850124 PGNLXTLMQJUPMF-MRXNPFEDSA-N 321.336 2.987 0 40 DFAB CC(=O)c1c(O)cc(C)n(-c2ccc(Br)cc2)c1=O 16768624 JOFAZFOWPMGZTG-UHFFFAOYSA-N 322.158 2.817 0 40 DFAB Cc1cccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CCCCC2)c1 71821081 RKOVHPKFXUSTEA-OAHLLOKOSA-N 314.429 2.531 0 40 DFAB CCOc1cc2c(cc1NC(=O)CCn1cccn1)O[C@@H](C)C2 69389601 SBWTZZLYYCNMHB-LBPRGKRZSA-N 315.373 2.634 0 40 DFAB CN(OCc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O 83855694 XWHAOWAFGKGLIY-KRWDZBQOSA-N 314.360 2.995 0 40 DFAB Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2cccnc2)cc1 71915796 YSPDATIOZFAAMY-AWEZNQCLSA-N 304.415 2.642 0 40 DFAB CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc2cc[nH]c2c1 69569244 NSZSADGMOXADAT-UHFFFAOYSA-N 323.352 2.788 0 40 DFAB O=C(Cn1ncnc1-c1ccccc1Cl)NC1CCCC1 69655494 TXXCFNGAJGYPKP-UHFFFAOYSA-N 304.781 2.657 0 40 DFAB CCN1CCO[C@H](CNCc2csc(-c3cccs3)n2)C1 69976537 ZZLSKSRNPGRVTI-CYBMUJFWSA-N 323.487 2.682 0 40 DFAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 69967960 KFNGNXUKUKQBCY-HOCLYGCPSA-N 315.421 2.548 0 40 DFAB c1ccc(N2CCC(Nc3ccc(-n4ccnn4)cc3)CC2)nc1 97080874 JKFFOQUWEZEMRU-UHFFFAOYSA-N 320.400 2.743 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1 97047292 DPCSGRBSFANGTK-XMHCIUCPSA-N 324.446 2.892 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)n1 72298739 CCVJOIOODSVJKB-CQSZACIVSA-N 318.446 2.834 0 40 DFAB C[C@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCO1 72230626 CFSSEHNGEAHFNR-WCQYABFASA-N 320.389 2.517 0 40 DFAB NC(=O)c1csc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 97108642 MMPXDATUQSJBOP-AWEZNQCLSA-N 320.389 2.639 0 40 DFAB COc1ccc(C)nc1NCc1cn(C)nc1-c1ccncc1 97231800 WRGRZDNDKHPHNJ-UHFFFAOYSA-N 309.373 2.806 0 40 DFAB COc1ccc(-c2nc3nccc(-c4cccnc4)n3n2)cc1 72451509 NQTGMXAOOPXGNB-UHFFFAOYSA-N 303.325 2.862 0 40 DFAB Fc1ccc(-n2cc(CN[C@@H]3CCCc4cn[nH]c43)cn2)cc1 95967397 VUYWHMCUVNQGGW-MRXNPFEDSA-N 311.364 2.902 0 40 DFAB Cn1cc(CCOC(=O)c2csc(-c3ccoc3)n2)cn1 95397426 XEMFMWDJVLUFKQ-UHFFFAOYSA-N 303.343 2.536 0 40 DFAB CC1(NC(=O)Nc2nc(-c3cccnc3)cs2)CCOCC1 84673526 WFJUXPMLCLXKNG-UHFFFAOYSA-N 318.402 2.896 0 40 DFAB CC1(C)C[C@@H](N[C@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1 95969352 GFXXSEUXFHCSLY-JKSUJKDBSA-N 316.445 2.837 0 40 DFAB O=C(Cn1cc(C2CC2)nn1)N1CCCc2cccc(Cl)c21 89800170 ILAPFUMZYLSRIH-UHFFFAOYSA-N 316.792 2.788 0 40 DFAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 24545866 MJNQZYXNYZHIOS-UHFFFAOYSA-N 320.352 2.827 0 40 DFAB CCCc1cc(=O)[nH]c(SCCCCn2ccnc2C)n1 89960441 YHNHBKXAYQARJJ-UHFFFAOYSA-N 306.435 2.800 0 40 DFAB COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)c(OC)c1 408628657 ZOQYNESJZASMOD-UHFFFAOYSA-N 321.398 2.670 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@@H]1OC 529032294 SOGKGTJBGYUQGN-TUAOUCFPSA-N 305.365 2.511 0 40 DFAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@H]2CC=CCC2)C1 78122207 IWWMLTDTPAYQMR-CVEARBPZSA-N 321.465 2.679 0 40 DFAB CC(C)N(C(=O)[C@H](C)S(C)(=O)=O)c1ccc(Cl)cc1 79040162 RZVOLHAXCRIRDR-JTQLQIEISA-N 303.811 2.515 0 40 DFAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)o1 72227292 BTPUKKOAFJDXJH-CHWSQXEVSA-N 321.174 2.766 0 40 DFAB C[C@@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)n1cccn1 567582736 YFGWXGLBIIHUQI-MAUKXSAKSA-N 313.401 2.608 0 40 DFAB FC(F)(F)c1cccc(NCCCOC[C@H]2CCOC2)n1 77229477 VLFLCKQZNLWWSR-LLVKDONJSA-N 304.312 2.956 0 40 DFAB O=C(O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 11568028 KWFUNMMLFIRHPD-GFCCVEGCSA-N 301.321 2.584 0 40 DFAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 72228232 MVHMVQCVLYJDBR-HUUCEWRRSA-N 304.752 2.890 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 32362080 KZXNEGFQPYDVPI-CYBMUJFWSA-N 315.200 2.845 0 40 DFAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@H]1CCCO1 49674603 PXEJUDVNXQKILK-IAQYHMDHSA-N 305.422 2.813 0 40 DFAB O=C(Nc1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 79349145 MNSUNLOYJOZOEJ-UHFFFAOYSA-N 319.302 2.737 0 40 DFAB CCc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1 223973707 KOEWIWAAKGYWLO-UHFFFAOYSA-N 305.399 2.606 0 40 DFAB CCOC(=O)c1cc(-c2ccccc2)nn(CC(C)C)c1=O 225963878 PQDQLQKPIDZMOU-UHFFFAOYSA-N 300.358 2.743 0 40 DFAB CCn1c(C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 573334459 WSGAMYIUCIEDGD-CYBMUJFWSA-N 300.362 2.677 0 40 DFAB Cc1ccc(SCCC(=O)NCCCn2ccnc2)cc1 47465688 SNKQBNAAVYDEHG-UHFFFAOYSA-N 303.431 2.880 0 40 DFAB CCOC(=O)c1cc(NC(=O)C(C)(C)OCC)ccc1OC 225813804 IQEXRPAGBXIDCW-UHFFFAOYSA-N 309.362 2.626 0 40 DFAB CCSC1(CNc2nc(N)c3ccccc3n2)CCOCC1 96486665 UWJMLPJLJUQSRY-UHFFFAOYSA-N 318.446 2.926 0 40 DFAB CCc1nc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)cs1 331607278 VWWNGKVBRGVZIS-LSDHHAIUSA-N 316.426 2.583 0 40 DFAB Cc1ccn(-c2ccc(NCc3ccnc(OC(C)C)c3)nn2)n1 97104632 DLSLWDGDPNEBRJ-UHFFFAOYSA-N 324.388 2.765 0 40 DFAB O=C1C[C@@H]2[C@H](CCN2Cc2ccsc2)N1Cc1ccncc1 96055674 MGBYOZLTEDFNOV-JKSUJKDBSA-N 313.426 2.519 0 40 DFAB Cn1ccnc1CN1CCC2(CCCN2CC2CCC2)CC1 96159391 YMWMTDYHKJMUDY-UHFFFAOYSA-N 302.466 2.651 0 40 DFAB CC/C=C(\C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 96298175 IAQXMKCBTIKHAQ-VGOFMYFVSA-N 320.433 2.608 0 40 DFAB COCCn1cc(CC(=O)NCc2cccnc2)c2ccccc21 95480527 ABKPCUJSGXLHMX-UHFFFAOYSA-N 323.396 2.542 0 40 DFAB COC(=O)N1CCC(NC(=O)[C@H](C)Cc2ccc(C)cc2)CC1 97233625 GTEAWAJYRUFVLN-CQSZACIVSA-N 318.417 2.521 0 40 DFAB Cc1cc(C[C@H](C)N[C@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 90534048 QCYWKOBFIDECJS-GXTWGEPZSA-N 324.432 2.889 0 40 DFAB COC[C@@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 96105822 JTEAALLDUDCWSD-INIZCTEOSA-N 307.434 2.921 0 40 DFAB CCCCc1nnc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 245281211 AHWSGBOVVCADEH-YUSALJHKSA-N 324.450 2.816 0 40 DFAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1O 248736887 QBUNOJORVRTXGP-TUKIKUTGSA-N 322.453 2.610 0 40 DFAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2nccs2)C3)c1 248027202 KSVKXYXLWSOJBO-CYBMUJFWSA-N 319.455 2.677 0 40 DFAB c1cc(CO[C@@H]2CN(C3CCCC3)Cc3ccnn3C2)ccn1 253588775 SECQPFXFNQRVEC-GOSISDBHSA-N 312.417 2.622 0 40 DFAB OC[C@@H](NCCc1cccnc1)c1ccc(C(F)(F)F)cc1 541952260 NFROARNUZNWKAT-OAHLLOKOSA-N 310.319 2.966 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257243142 IFPYXDMYBSWKHR-CQSZACIVSA-N 323.400 2.923 0 40 DFAB CC(C)(C)CN1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257313230 URMNQMWQPTWCTO-QGZVFWFLSA-N 312.417 2.958 0 40 DFAB COc1cccc(CN2CC[C@H](c3nccc(C)n3)C2)c1F 257279088 OEZIXZMNKXKJKI-AWEZNQCLSA-N 301.365 2.922 0 40 DFAB CCOCCO[C@H](C)C(=O)Nc1ccnn1-c1ccccc1C 72282034 GUWIUFQKWACIJY-CQSZACIVSA-N 317.389 2.561 0 40 DFAB Cc1noc(C)c1CC(=O)Nc1ccccc1Cn1cccn1 36761280 KMSWVTSUPJAIGI-UHFFFAOYSA-N 310.357 2.717 0 40 DFAB COc1ccc([C@@H](C)NC(=O)c2cc(C(C)=O)cn2C)cc1F 52990803 PVGJAGYKZDNAFF-SNVBAGLBSA-N 318.348 2.866 0 40 DFAB O=C(NCCc1cccc2ccccc12)NC[C@@H]1CCC[C@@H]1O 73677851 IFBPUHBNQNIDQQ-WMZOPIPTSA-N 312.413 2.843 0 40 DFAB Cc1cc(C)cc(C2(C(=O)NCc3nc(C4CC4)no3)CC2)c1 55715051 GZQVJOJRZWULEW-UHFFFAOYSA-N 311.385 2.912 0 40 DFAB Cc1ncc(CNC(=O)N2CCOC[C@H]2c2ccccc2)s1 73868541 NWRQBZKZHPOBIG-HNNXBMFYSA-N 317.414 2.735 0 40 DFAB CN1CC[C@@H](CN(C)C[C@H]2CCCN(Cc3ccccc3)C2)C1 248165048 ZJCBWPZEZZIFBU-WOJBJXKFSA-N 315.505 2.782 0 40 DFAB O=C(NCC(F)(F)F)N(CCCO)[C@H]1CCc2ccccc21 75139267 MJBISUIYUZCYBN-ZDUSSCGKSA-N 316.323 2.630 0 40 DFAB CC/C=C/COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 58265311 WHRUFBBTAPTODW-AATRIKPKSA-N 304.346 2.726 0 40 DFAB COC(=O)c1cc(F)ccc1NC(=O)Cc1cccc(OC)c1 40142721 KYFGFFNKNLBWTR-UHFFFAOYSA-N 317.316 2.802 0 40 DFAB OCCC1(NCc2sccc2Br)CCOCC1 97016275 OSGKUFROJYTUGG-UHFFFAOYSA-N 320.252 2.532 0 40 DFAB CNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 230530 IAAMVTYAYZLFPZ-SFQUDFHCSA-N 324.380 2.521 0 40 DFAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC(C)(C)C)cc12 12186398 RIMLFFTUWBNDJJ-UHFFFAOYSA-N 310.401 2.910 0 40 DFAB O=C(Nc1nnc(-c2ccno2)o1)c1ccc2ncsc2c1 12234529 ZJLZJOZPNVBVGC-UHFFFAOYSA-N 313.298 2.587 0 40 DFAB Cc1cc(N2CCN(C(=O)NC(C)C)CC2)nc2ccccc12 12408387 NURDYDBUNQGPQA-UHFFFAOYSA-N 312.417 2.783 0 40 DFAB Cc1cc(COC(=O)c2cc(Br)ccc2O)on1 14233841 KFIRPNPJOPSLHL-UHFFFAOYSA-N 312.119 2.808 0 40 DFAB O=C(/C=C/c1ccccc1)N[C@H]1C=Nc2ccccc2NC1=O 16943015 LSUDSJYYPAHXFJ-OFAQMXQXSA-N 305.337 2.539 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)NC1CCCCCCC1 15080919 AQPUXXKGGPBZLR-UHFFFAOYSA-N 313.401 2.626 0 40 DFAB CC[C@@H]1CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CCO1 30852128 DHERGZFUPAOMEJ-CQSZACIVSA-N 316.405 2.572 0 40 DFAB C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)NC1CC1 7162385 KCXOHVMYHQXUTI-SNVBAGLBSA-N 316.382 2.634 0 40 DFAB CC(C)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 24045720 BLPZFBYGQYJDMU-UHFFFAOYSA-N 301.390 2.539 0 40 DFAB CN1C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc21 5741482 CDTRHIYZZLBSAV-HNNXBMFYSA-N 301.367 2.568 0 40 DFAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 16953676 XIVVLENXWZGASL-UHFFFAOYSA-N 310.353 2.761 0 40 DFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3cc[nH]c3c1)C2=O 40162875 ZCEOGPOPBZNXLP-UHFFFAOYSA-N 306.277 2.667 0 40 DFAB C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccsc1 40464698 RJOQWHVWIHNKOZ-GFCCVEGCSA-N 302.399 2.525 0 40 DFAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2n1CCC2 40429859 QGWYLEOVDFCLBT-QMMMGPOBSA-N 308.744 2.508 0 40 DFAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN2CCSC2=O)o1 40476627 WXWCNKDGJQJTGA-PWSUYJOCSA-N 308.403 2.530 0 40 DFAB COc1cccc(Nc2nc(N3CCCC3)c3nccnc3n2)c1 32104746 MSMJFBADKIYEQV-UHFFFAOYSA-N 322.372 2.772 0 40 DFAB C[C@H]1Cc2ccccc2N1CCNC(=O)Cc1cccc(O)c1 101659160 UPRQIOCCFUXXPA-AWEZNQCLSA-N 310.397 2.502 0 40 DFAB CN(C)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 389335 NLLZPTHYDFGVPW-UHFFFAOYSA-N 323.348 2.927 0 40 DFAB Cc1nc(CC(=O)OCc2cnn(-c3ccccc3)c2)cs1 22132771 USASHAXRMGYMRI-UHFFFAOYSA-N 313.382 2.923 0 40 DFAB CC1(C)COCCN1C(=O)c1cc(F)ccc1Br 42372076 WWIKVMKJOUZAKK-UHFFFAOYSA-N 316.170 2.839 0 40 DFAB NC(=O)c1cccc(COc2ccc(NC(=O)C3CC3)cc2)c1 54246154 BNXKKCRDUVPBSR-UHFFFAOYSA-N 310.353 2.713 0 40 DFAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 47519846 UAKRGWGGIPJJEI-DOJUMQAQSA-N 318.380 2.734 0 40 DFAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 54662750 LTQKDKGQGRXUTR-ZDUSSCGKSA-N 303.337 2.845 0 40 DFAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 221421 FJKSHOVPJSXKKM-MRXNPFEDSA-N 305.337 2.835 0 40 DFAB biogenic COc1ccccc1NC(=O)c1c(N)sc2c1CCN(C)C2 235455 INGAMAATGDFYGY-UHFFFAOYSA-N 317.414 2.579 0 40 DFAB COC(=O)CNC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 42860435 UJQKMXSYGNOEQB-UHFFFAOYSA-N 322.364 2.748 0 40 DFAB COC(=O)CC1CCN(C(=O)c2cc3ccccc3n2C)CC1 61721607 UZUAJDDVGVZEMX-UHFFFAOYSA-N 314.385 2.594 0 40 DFAB COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1 4005809 HOHCAYRASQLOKU-BVIHXZOGSA-N 313.353 2.547 0 40 DFAB Cc1csc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n12 4121141 ZESPONNXHQZYQL-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB O=c1cc(C(F)(F)F)nc(O)n1-c1cccc(C(F)(F)F)c1 1383413 AVKOGLUHUVIYEQ-UHFFFAOYSA-N 324.180 2.976 0 40 DFAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccccc1Cl 4318856 DZCBCIIBROUNSS-ZDUSSCGKSA-N 322.748 2.505 0 40 DFAB CCN(CC)C(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 6053302 BPBPOFQJZXUJQJ-IHWZXDPASA-N 306.450 2.576 0 40 DFAB O=C(CSCCO)Nc1ccccc1C(=O)c1ccccc1 7198502 ODJPQMRYTAHDBF-UHFFFAOYSA-N 315.394 2.582 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N(C)C2CCCCC2)c1O 57556823 LUKLACKTAZSLPU-UHFFFAOYSA-N 305.374 2.649 0 40 DFAB Cc1cc([C@@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)no1 44591153 HZHGFHNNBLRHTQ-YOEHRIQHSA-N 320.364 2.699 0 40 DFAB Cc1cccc(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c1 58010834 NUDPGHLZGMFOFH-CYBMUJFWSA-N 300.324 2.638 0 40 DFAB O=C(Nc1cccnc1)N(Cc1ccncc1)C[C@@H]1CCCO1 58108691 BJIYEFNXUWEYTE-INIZCTEOSA-N 312.373 2.690 0 40 DFAB COc1ccc(C(=O)N2CCc3ccc(OC)cc3C2)c(O)c1 58185711 MFQACJWLPHHKQR-UHFFFAOYSA-N 313.353 2.608 0 40 DFAB O=C(C1CCCCC1)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 102703236 RILIFJHGWNYWEE-HOTGVXAUSA-N 318.461 2.674 0 40 DFAB COC(=O)c1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 58357863 ZPZQCEGPJIYYFB-UHFFFAOYSA-N 308.337 2.885 0 40 DFAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(Cl)c[nH]1 58356309 LDJABZXYBSYCAQ-UHFFFAOYSA-N 300.749 2.988 0 40 DFAB COc1ccc(-c2nc(N3CCOCC3)sc2C)cc1OC 58431351 IPPAGKULDGHLMO-UHFFFAOYSA-N 320.414 2.972 0 40 DFAB CC[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OCCO2 3288260 GBLMILISIMJJSM-CQSZACIVSA-N 304.390 2.661 0 40 DFAB Cc1noc(-c2ccccc2C(=O)N(C)CCc2ccccn2)n1 76041412 ZYDOPBCXSVYMFT-UHFFFAOYSA-N 322.368 2.755 0 40 DFAB C[C@@H]1CCc2nc(NC(=S)NC[C@H]3CCCO3)sc2C1 2766741 SPDZCJPJFDWEDE-NXEZZACHSA-N 311.476 2.733 0 40 DFAB Fc1ccccc1CN1CCCN(c2nc(C3CC3)no2)CC1 76685499 NQAIXRMVTXGCSW-UHFFFAOYSA-N 316.380 2.798 0 40 DFAB Cc1cc(Cl)ccc1NC(=O)COc1ccccc1C(N)=O 3357879 OEBBCBNHPCSQMG-UHFFFAOYSA-N 318.760 2.765 0 40 DFAB Cc1ccc(CSCCNC(=O)CN2CCSC2=O)cc1 12893370 OHLDVYQUYCTYHA-UHFFFAOYSA-N 324.471 2.513 0 40 DFAB CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)cc1 3541964 BJVOYJIGTAGXDK-UHFFFAOYSA-N 316.332 2.625 0 40 DFAB CNC(=O)NC(=O)CCSCc1ccc(F)cc1Cl 13017178 SSKHYYVULSUUGF-UHFFFAOYSA-N 304.774 2.558 0 40 DFAB Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)cc1 13007506 QFYSTXXVMXEAAN-UHFFFAOYSA-N 312.369 2.766 0 40 DFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(Cl)c1Cl 49091278 FKCJRDGPABTNJW-BDAKNGLRSA-N 315.200 2.719 0 40 DFAB CS(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96000634 KIYKBNIVNOQEJE-ZDUSSCGKSA-N 321.402 2.613 0 40 DFAB Cc1cc(=O)n2nc(-c3cccc(Br)c3)cc2[nH]1 5091435 YITRTFVUVRZUIV-UHFFFAOYSA-N 304.147 2.761 0 40 DFAB O=C(C[C@@H]1C=CCC1)N1CCN(CCOc2ccccc2)CC1 39978492 PVXJGSIQLUQPDM-QGZVFWFLSA-N 314.429 2.566 0 40 DFAB O=C(NCC[S@@](=O)c1ccccc1)N1CCC[C@H]2CCC[C@H]21 110638748 MEEAUZJRGQUXPE-YGHRGLEHSA-N 320.458 2.768 0 40 DFAB CCOC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 4387736 JUQRVTGMBWFEEO-NSHDSACASA-N 316.353 2.921 0 40 DFAB COc1ccc2nc(NC(=O)NC3CCC(O)CC3)sc2c1 65449163 ATBSXGLJYAXADY-UHFFFAOYSA-N 321.402 2.730 0 40 DFAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1 22522202 URKNHEPRMWIZOI-NSHDSACASA-N 315.325 2.799 0 40 DFAB Cc1cccc(N2N=C(C(=O)Nc3nccs3)CCC2=O)c1 9252739 QFCPZBDEEDPQQR-UHFFFAOYSA-N 314.370 2.573 0 40 DFAB Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sccc21 4409625 TWTARYHYLUADOR-UHFFFAOYSA-N 314.366 2.899 0 40 DFAB c1ccc(-n2ccc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1 65523321 WWMFNKMXDGIZBP-UHFFFAOYSA-N 307.401 2.975 0 40 DFAB CC(C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358701 QUTNNAJWXVKDNJ-UHFFFAOYSA-N 322.459 2.958 0 40 DFAB COc1ccc(C)cc1Cn1cc(Br)ccc1=O 14232101 LYDVZAZEJRCZEF-UHFFFAOYSA-N 308.175 2.976 0 40 DFAB COc1ccc(NC(=O)c2ccc3nccnc3c2)c(OC)c1 9315098 HXIXQHPDPSZYIO-UHFFFAOYSA-N 309.325 2.899 0 40 DFAB C[C@@H](NCCc1nnc2ccccn12)c1ccccc1N(C)C 93941554 IEAVVQGZJAHACS-CQSZACIVSA-N 309.417 2.689 0 40 DFAB Cc1ccc(CCNC(=O)NC(C)(C)c2ncc(C)s2)cn1 80137596 MYRIUVOJAZUIMV-UHFFFAOYSA-N 318.446 2.932 0 40 DFAB O=C(COC(=O)CCc1ccco1)Nc1ccc2c(c1)CCC2 7290505 BWDRWALZFKMQGW-UHFFFAOYSA-N 313.353 2.883 0 40 DFAB CCOC(=O)c1[nH]cc(C(=O)c2ccc3c(c2)OCCO3)c1C 62709342 IICYYKIKXPKCJM-UHFFFAOYSA-N 315.325 2.502 0 40 DFAB O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)OCCO2 9530887 MPMUCGIULWKLDY-UHFFFAOYSA-N 302.355 2.655 0 40 DFAB Cc1nc(CN2CCC[C@H](NCc3sccc3C)C2)no1 71877265 PEJJNDXENMDSLM-ZDUSSCGKSA-N 306.435 2.502 0 40 DFAB O=C(CC1CCCC1)NC1CCN(CCc2ccncc2)CC1 69417184 CAQZAQDBEVUPDG-UHFFFAOYSA-N 315.461 2.785 0 40 DFAB 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Cc1noc([C@@H]2CCCN(C(=O)NCCc3cccs3)C2)n1 58415183 IRAWNUBQYHSKQV-GFCCVEGCSA-N 320.418 2.571 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)c2sccc2C)c1 36394530 AQQIDEBLGXYQBI-UHFFFAOYSA-N 302.399 2.736 0 40 DFAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)N1CCC(C)CC1 59843293 BNBOFIMCPGNZRP-UHFFFAOYSA-N 302.353 2.587 0 40 DFAB O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccccc1Cl 2502892 NYGUSLZRQFNIJT-UHFFFAOYSA-N 314.728 2.508 0 40 DFAB Nc1cccc(Cl)c1C(=O)NCc1ccc2c(c1)OCO2 97212367 BPNUPKOAIVIIBJ-UHFFFAOYSA-N 304.733 2.581 0 40 DFAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29796443 QEKWWEVXIQJLET-CMPLNLGQSA-N 317.414 2.727 0 40 DFAB C[C@H](c1cnccn1)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 101682002 DDVGNJVIPXZJAC-ZIAGYGMSSA-N 320.437 2.869 0 40 DFAB O=C(O)c1cccc(Cn2c(S)nnc2-c2ccco2)c1 12390745 PXKKHNBOQGKEJH-UHFFFAOYSA-N 301.327 2.573 0 40 DFAB CCn1nnc2cc(C(=O)N[C@H](C)CCc3ccco3)ccc21 48277275 SZBOKRMLEZMEAE-GFCCVEGCSA-N 312.373 2.795 0 40 DFAB CC[C@H](Oc1ccc(C(C)=O)cc1)C(=O)Nc1cc(C)on1 12700923 MGGGKSNKUIEJLP-AWEZNQCLSA-N 302.330 2.982 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)CCc1cnn(-c2ccccc2)c1 48333537 PIYWKTKJOKPHIU-UHFFFAOYSA-N 323.400 2.794 0 40 DFAB C/C(=C/C(=O)O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 26444472 INALKWTYWVSMQD-VURMDHGXSA-N 306.318 2.919 0 40 DFAB CC[C@@H]1CCC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 96010949 PEWJTLIUHFMBBJ-CVEARBPZSA-N 324.465 2.794 0 40 DFAB CC(C)CC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002513 ATMZGHNOZPQMBX-CQSZACIVSA-N 316.380 2.561 0 40 DFAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCn1ccnc1 408677335 CQUYGQUONZPQGW-INIZCTEOSA-N 301.390 2.555 0 40 DFAB O=C(c1n[nH]c2c1CCC2)N1CCSC[C@@H]1c1ccccc1 95397617 JASLKRGQBIMLGA-OAHLLOKOSA-N 313.426 2.829 0 40 DFAB COc1cc(F)ccc1NC(=O)NC[C@@](C)(O)c1ccsc1 84638418 BVEVZQBKRCJRKR-OAHLLOKOSA-N 324.377 2.925 0 40 DFAB Cn1c(-c2cccs2)nc2c1CCN(C[C@H](O)C(C)(C)C)C2 5187222 BYYXJQMQCZAGSJ-HNNXBMFYSA-N 319.474 2.914 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2nccn2C1 65463087 HYGIZLOVGGTTJP-CQSZACIVSA-N 322.368 2.591 0 40 DFAB CCn1c(CCNC(=O)c2cccc(C)c2C)n[nH]c1=S 65576631 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COc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9689904 WQXBBSLFMKNXQU-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB C[C@@H]1C[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)C(=O)O1 8188620 KHXHDWKNGJBAEU-MFKMUULPSA-N 315.398 2.941 0 40 DFAB Cc1cc(C)n(C[C@H]2CN(CCc3cccs3)CCO2)n1 69349883 VTLBCUQGAVFDJA-OAHLLOKOSA-N 305.447 2.505 0 40 DFAB C[C@@H](Cn1cccn1)NCc1coc(-c2ccc(F)c(F)c2)n1 69373896 ZBPGXWZQVHCJKJ-NSHDSACASA-N 318.327 2.995 0 40 DFAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@H]1c1ccco1 69454530 GBFPLURLIYTAKR-RYUDHWBXSA-N 322.405 2.803 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)CCCC2 69621847 VJPNOQAFZYHKEE-SFHVURJKSA-N 320.392 2.622 0 40 DFAB CO[C@@H](C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)c1ccccc1 84110148 MTWQJHFKQQSTLB-NVXWUHKLSA-N 313.401 2.812 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)Cc2cccs2)c(C)nn1C 72234233 XALHWLCREHFNAB-ZDUSSCGKSA-N 319.430 2.705 0 40 DFAB Cc1nnc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)s1 95984692 ZISCBEXAPMXECS-LLVKDONJSA-N 316.430 2.824 0 40 DFAB C[C@@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)[C@H](C)CN1C 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CSC[C@H](CCO)NC(=O)Nc1cc(Cl)ccc1F 77671702 JLGKYFRGLFKVRV-VIFPVBQESA-N 306.790 2.715 0 40 DFAB Cc1ccc([C@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218523800 KHDLRWBHQSIDCK-IKGGRYGDSA-N 301.411 2.510 0 40 DFAB CN(C)CCCNc1nc2ccccc2c(=O)n1-c1ccccc1 71282822 LNTQIUTZJVBSOL-UHFFFAOYSA-N 322.412 2.749 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 38229601 HFLJUSDUGUQELQ-HNNXBMFYSA-N 318.417 2.745 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccn2)cc1 77975084 LNDPWMINBMJWMH-KRWDZBQOSA-N 311.385 2.693 0 40 DFAB S=C(Nc1ccccc1)N1CCN(C2CCSCC2)CC1 225215471 SUFNPHLISJKCLR-UHFFFAOYSA-N 321.515 2.897 0 40 DFAB Cn1c(Cl)nc2ccc(C(=O)NCc3ccncc3)cc21 222542055 STXHABSTKMNBOE-UHFFFAOYSA-N 300.749 2.552 0 40 DFAB COc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1OC 226261770 HIQYIVWUPNBLKY-UHFFFAOYSA-N 315.373 2.604 0 40 DFAB CCC(C)(C)CNC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 571052265 CDHHUGAPSYXZHP-CQSZACIVSA-N 309.454 2.609 0 40 DFAB CC[C@H](NC(=O)c1cc(C2CC2)no1)c1c(C)nn(C)c1C 328726339 UOKIRWDFQGPKGR-LBPRGKRZSA-N 302.378 2.783 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H]2CO)cc1Cl 190246097 BIIBEUUGJZDGLU-XPTSAGLGSA-N 310.781 2.777 0 40 DFAB CCn1ccc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)n1 227165762 JXKXMOZKXSSLGO-ZDUSSCGKSA-N 309.373 2.966 0 40 DFAB CCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 41283079 MDXUNNACQIQBNT-UHFFFAOYSA-N 306.797 2.528 0 40 DFAB CCCN(Cc1cnn(C)c1)C(=O)Cc1cc(F)ccc1F 80106569 NTWVBNMBBFUNJH-UHFFFAOYSA-N 307.344 2.680 0 40 DFAB Cc1cc(NC(=O)NCC(C)(C)O)nn1-c1ccccc1Cl 96495595 PFAASZYFBXFLPE-UHFFFAOYSA-N 322.796 2.727 0 40 DFAB COCc1nn(C(C)C)c2c1CCN(Cc1ccccn1)C2 96259908 HHTAOOWQIODBAZ-UHFFFAOYSA-N 300.406 2.564 0 40 DFAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)n1 96058238 BLEVYWUPJWHFHV-MELADBBJSA-N 305.403 2.792 0 40 DFAB Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)c1 96055130 PZTLUQLXWROFCY-MAUKXSAKSA-N 316.376 2.756 0 40 DFAB C[C@]1(CNC(=O)c2c(F)cc(F)cc2F)CCCC[C@@H]1O 96450836 HNKDVRVQSQFUQM-SWLSCSKDSA-N 301.308 2.775 0 40 DFAB C[C@H](C(=O)O)[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccccc1 97228713 ONGZEUGFRJHMQU-XHDPSFHLSA-N 323.352 2.755 0 40 DFAB Clc1cnc(NC[C@@H]2CCCN(Cc3cccnc3)C2)nc1 97212829 WDEQYRNDOIVNHZ-AWEZNQCLSA-N 317.824 2.849 0 40 DFAB CC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)[C@@H]1CCCO1 96490656 LIACGMAMMXXMHF-ZNMIVQPWSA-N 320.437 2.831 0 40 DFAB CC[C@H](NC(=O)NC[C@H](C)c1cccs1)c1noc(C)n1 96446142 OEYSKLGOLMWWJJ-ONGXEEELSA-N 308.407 2.994 0 40 DFAB Cc1cc(-c2cnc(N3CC[C@@H](O)[C@@H](C)C3)nc2C2CC2)on1 253600587 TTZPKWJYKFRJBJ-IINYFYTJSA-N 314.389 2.525 0 40 DFAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3O)C2)n1 257210225 BTRRBVGMVKONRX-GFCCVEGCSA-N 314.389 2.572 0 40 DFAB Cc1cccc(CN2CCCC[C@H]2c2ncc(C(N)=O)s2)n1 257332572 XXXJKEIIGKBCLM-ZDUSSCGKSA-N 316.430 2.673 0 40 DFAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2ccc(C)nc2)n1 257271470 MYLRNRVLHAUOHS-LJQANCHMSA-N 324.428 2.758 0 40 DFAB O=C(NC1CCN(Cc2ccc(F)cc2F)CC1)C1CCC1 378050460 JWSRRJZSOXMJGX-UHFFFAOYSA-N 308.372 2.846 0 40 DFAB O=C(/C=C/c1ccccc1)NCc1nccc(N2CCCCC2)n1 96120844 SUHFZVOXGCPPCB-MDZDMXLPSA-N 322.412 2.797 0 40 DFAB CCc1onc(C)c1NC(=O)NCc1cccc(C(=O)O)c1 669501827 MAAVLGMDXDNWTJ-UHFFFAOYSA-N 303.318 2.565 0 40 DFAB c1ccc(CO[C@@H]2CSC3(C2)CN(CC2CCC2)C3)nc1 585105012 NTDYHZYWTJLUNS-INIZCTEOSA-N 304.459 2.958 0 40 DFAB CCOc1nc2cc(I)ccc2cc1N 685937664 WRNNEZMASNLGOD-UHFFFAOYSA-N 314.126 2.820 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 69458815 JEEDFVAHAVLTLW-UHFFFAOYSA-N 318.380 2.910 0 40 DFAB Cc1nnc(COC(=O)c2cccnc2Oc2ccccc2)o1 32666167 PSFXALYKCSKEGD-UHFFFAOYSA-N 311.297 2.922 0 40 DFAB COc1ccc(C(=O)Nc2cc(C)nn2C)cc1Br 37986952 QZUCMRCNRIZJCW-UHFFFAOYSA-N 324.178 2.752 0 40 DFAB C[C@H](NC(=O)CCn1cncn1)c1cccc(C(F)(F)F)c1 54515809 SFAXZHYGPSCWHW-JTQLQIEISA-N 312.295 2.564 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 5680880 TXOMNAOOAVRNAI-GFCCVEGCSA-N 303.333 2.918 0 40 DFAB Cn1c(C2CCN(C(=S)NC3CC3)CC2)nc2ccccc21 13718604 CCYDAIGNSCXPDE-UHFFFAOYSA-N 314.458 2.790 0 40 DFAB Cc1cc(O)nc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 19118094 ORVKDXODIZSVMT-OAHLLOKOSA-N 311.385 2.787 0 40 DFAB Cc1cc(=O)n(CC(=O)N[C@@H](C)c2ccccn2)c2ccccc12 19658470 DPWZMWVHJZYYPY-AWEZNQCLSA-N 321.380 2.582 0 40 DFAB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1cccc(F)c1 154030425 BMVRLTKHCVQZJO-UHFFFAOYSA-N 322.405 2.997 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 6007747 XUUMJMMQAPWYAE-CKEIUWERSA-N 305.418 2.607 0 40 DFAB COc1ccc(Cn2nnc(C(=O)OC(C)(C)C)c2Cl)cc1 1848350483 HZAKFHMXDRDFSF-UHFFFAOYSA-N 323.780 2.944 0 40 DFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nncs1 12741086 GWNXTJMSNZYURW-UHFFFAOYSA-N 307.423 2.579 0 40 DFAB CCc1ccc2c(C3CN(C(=O)C4CC(F)(F)C4)C3)ncn2c1 1565550320 YTUGXHYMKCSPCZ-UHFFFAOYSA-N 319.355 2.868 0 40 DFAB Cc1nnc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)s1 11693164 BKRHDFIZIJUTRE-UHFFFAOYSA-N 318.333 2.822 0 40 DFAB COc1cccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 26571318 KZFNHXYYISYETO-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@@H]3C2=O)cc1C 101277721 FSFAWQJDKUSEKQ-HOTGVXAUSA-N 320.352 2.801 0 40 DFAB O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1CC1 1058097232 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12449706 CSDWGFXBISCUPC-UHFFFAOYSA-N 322.364 2.957 0 40 DFAB O=C(N[C@H](Cc1ccccc1F)C(=O)O)OCc1ccccc1 34285987 GYJREHMTTLYKRJ-OAHLLOKOSA-N 317.316 2.748 0 40 DFAB Cc1cccc(OCCC(=O)Nc2ccc(C(N)=O)cc2)c1C 24539086 ONCVHJQFUKLGHA-UHFFFAOYSA-N 312.369 2.810 0 40 DFAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 1045536 WWMMNLLDFLEBOW-UHFFFAOYSA-N 311.385 2.996 0 40 DFAB CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@@H](C)C1 78897230 FFZSEKRMUXVZTA-FZMZJTMJSA-N 307.463 2.757 0 40 DFAB Cn1nc(-c2ccccc2)cc1C(=O)N=c1[nH]c2ccccc2[nH]1 79495618 CWDMZNWIRZSZJJ-UHFFFAOYSA-N 317.352 2.638 0 40 DFAB CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ccccc1 1845565 NXZBCTBWEOZHEA-UHFFFAOYSA-N 324.424 2.989 0 40 DFAB CCCCCC[C@H](C)C(S(=O)(=O)CC)S(=O)(=O)CC 2045003 HZMXJVJBVGTEOY-LBPRGKRZSA-N 312.497 2.788 0 40 DFAB COCCNC(=O)COc1ccc(Oc2ccccc2)cc1 3196778 MWFIIXUAZJHOJI-UHFFFAOYSA-N 301.342 2.620 0 40 DFAB CN(C)C(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134457 UAEMDSORVURIHP-UHFFFAOYSA-N 324.302 2.617 0 40 DFAB O=C(CN1CCC[C@@H]1C1CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 106752961 CARMCNYUZHDJQT-FGTMMUONSA-N 320.477 2.811 0 40 DFAB Cn1cc(-c2nc(C(=O)O[C@H]3C[C@H]4CC[C@H]3C4)cs2)cn1 106825223 ZPODFBQMVGWISW-KWBADKCTSA-N 303.387 2.889 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 4965546 IRBLBOPQLHBMBD-CYBMUJFWSA-N 309.454 2.655 0 40 DFAB C[C@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)n1cncn1 72293444 BTKBMUKFEHKJEA-GFCCVEGCSA-N 324.388 2.943 0 40 DFAB COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c(OC)c1 7603567 XEYGFEVJJQSMHE-SDQBBNPISA-N 322.342 2.613 0 40 DFAB CN(C(=O)CS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 1402879 SLLOIXJZWAYOAL-UHFFFAOYSA-N 323.801 2.777 0 40 DFAB Cc1cc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)no1 100661697 GSUKHQVHODZZMD-SREVYHEPSA-N 302.725 2.695 0 40 DFAB Cc1ccc(CNC(=O)NCCC(=O)NC2CCCCC2)s1 57177324 UEHAZRANBIRATL-UHFFFAOYSA-N 323.462 2.695 0 40 DFAB C[C@@H]1C[C@@H](C(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC(=O)N1 108176823 QASFSYCKOUSDHG-YRGRVCCFSA-N 314.385 2.867 0 40 DFAB COC(=O)c1cc(F)cc(OC)c1NC(=O)Cc1cccs1 72292781 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C[C@H](NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)C(=O)NC(C)(C)C 48331404 YRFLOZHCNGNFNI-CPVNLCDESA-N 318.417 2.836 0 40 DFAB Cc1csc(CNC(=O)NCC2(c3ccccc3)CC2)n1 48349856 SZEIGDDMOSWUPB-UHFFFAOYSA-N 301.415 2.983 0 40 DFAB O=C(CCCNC(=O)c1ccc(F)cc1F)NC1CCCC1 12878286 ONZVVYZEEFEGRB-UHFFFAOYSA-N 310.344 2.534 0 40 DFAB CC(C)(C)CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9196778 JNKWQBJWWJFZMF-ZDUSSCGKSA-N 318.417 2.970 0 40 DFAB CCc1ccc(CNC(=O)C(=O)NC2CCC(C)CC2)cc1 408707980 UHRRDWQTJSPFIY-UHFFFAOYSA-N 302.418 2.560 0 40 DFAB CCCCN(C)c1nc(N2CCOCC2)nc2c1SCCC2 13625428 QWMICNYCDYVVFO-UHFFFAOYSA-N 322.478 2.588 0 40 DFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1 6055348 PQIALIIDMZRSGF-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2CC2)c1Cl 5117577 ZUAUJNAWJNGZRI-UHFFFAOYSA-N 303.145 2.589 0 40 DFAB NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 14231216 SPQKWOSCWPDXHF-UHFFFAOYSA-N 306.412 2.507 0 40 DFAB COc1ccc(OCCCC(=O)NCCCOC(C)C)cc1 14398653 JAKMGPRIPUTOFT-UHFFFAOYSA-N 309.406 2.786 0 40 DFAB CCc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)CC)C(C)C)cc1 4698035 YMVGZDFKYHKHSB-CJNGLKHVSA-N 304.434 2.918 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 118925125 RPSMMZVJXWXNQX-DJNVUGKQSA-N 306.446 2.930 0 40 DFAB COC(=O)N1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 66364716 JVOAYRYYIMHCIE-HNNXBMFYSA-N 323.437 2.581 0 40 DFAB NC(=O)c1cncc(Oc2nc(C(F)F)nc3ccccc23)c1 97047896 ZRBDCASQLJBKBS-UHFFFAOYSA-N 316.267 2.854 0 40 DFAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@H](n2ccnc2)C1 71796523 CQKQGBYLCQPODH-GOEBONIOSA-N 313.426 2.764 0 40 DFAB Cc1cc2nc(Sc3nnc(C)n3C)c3ccccc3n2n1 8038977 UDSUKOSNJDBQKI-UHFFFAOYSA-N 310.386 2.779 0 40 DFAB C[C@H](Cn1cccn1)N[C@H](C)c1nnc(-c2cccs2)o1 69367639 UJTZWKBTABSMDK-GHMZBOCLSA-N 303.391 2.734 0 40 DFAB CCO[C@H]1CCCN(C(=O)c2cc3ccccc3c(OC)n2)C1 71836530 SZANCXFVEYLMFG-AWEZNQCLSA-N 314.385 2.885 0 40 DFAB CN(Cc1ccccn1)C[C@H](c1cccs1)N1CCOCC1 72267469 NVQQPXXPXCRSCX-MRXNPFEDSA-N 317.458 2.648 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1ccccc1 69580959 CNJQISQPBVGHNL-UHFFFAOYSA-N 311.320 2.933 0 40 DFAB CCN(Cc1ccoc1)C(=O)NCc1cccc(NC(C)=O)c1 69663761 KZWMFXBAWGQTQP-UHFFFAOYSA-N 315.373 2.970 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2C2CCCC2)cs1 83815594 UHSNVJTUDVJAHT-CYBMUJFWSA-N 307.419 2.896 0 40 DFAB Cc1cnc(C(=O)NCc2ccccc2OC(F)(F)F)cn1 8704060 DNWKPSTWEXQSDB-UHFFFAOYSA-N 311.263 2.614 0 40 DFAB COc1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1 8855888 MMCSCUUPILCRJS-UHFFFAOYSA-N 321.380 2.870 0 40 DFAB CC[C@H](CC1CC1)NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 95426174 FFVUJRBGQQVOEY-IIAWOOMASA-N 312.479 2.919 0 40 DFAB C[C@H](NC(=O)c1ccncc1F)[C@H](C)Oc1ccccc1F 95400446 FNWJNHRQYDCXPN-QWRGUYRKSA-N 306.312 2.946 0 40 DFAB CO[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 95447518 NZEHFJMZJUVURK-ZDUSSCGKSA-N 312.369 2.590 0 40 DFAB Cc1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)ncn1 95454540 LXRTZPRHMPLADJ-UHFFFAOYSA-N 322.372 2.887 0 40 DFAB O=C(NCCCO)Nc1ccc(Cl)cc1Br 95418829 USGVGGQZPKBMEZ-UHFFFAOYSA-N 307.575 2.606 0 40 DFAB CC(C)(CCO)NC(=O)/C=C/c1ccccc1OC(F)(F)F 95451249 POGXBBQIWONTGF-BQYQJAHWSA-N 317.307 2.876 0 40 DFAB N[C@@H](CC(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 88420734 HFPCXGCQKGMLIJ-ZDUSSCGKSA-N 300.324 2.877 0 40 DFAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(C(C)C)[nH]n1 95989820 GOVAXBXVNJVHLE-AWEZNQCLSA-N 315.373 2.787 0 40 DFAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCCC(=O)O 95969610 LHLSUEDEDKYERY-UHFFFAOYSA-N 318.398 2.637 0 40 DFAB Cc1nc(COC(=O)C(C)(C)Oc2cccc(Cl)c2)no1 95958913 BYFVPYKEMDUCJD-UHFFFAOYSA-N 310.737 2.932 0 40 DFAB O=C(CCn1cccn1)NCC1(c2ccc(F)cc2Cl)CC1 95980268 YYQFFKCNNOVWDX-UHFFFAOYSA-N 321.783 2.914 0 40 DFAB Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)n1 95965414 PDPXGQBLHFRIFJ-MRXNPFEDSA-N 324.380 2.504 0 40 DFAB CCc1csc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)n1 89289693 RHRONDCTWUCQAU-LLVKDONJSA-N 319.434 2.536 0 40 DFAB CNC(=O)c1cnc(/C=C/c2ccc(N3CCCC3)nc2)s1 89392174 ZYCDRVOXLVBREZ-FNORWQNLSA-N 314.414 2.668 0 40 DFAB O=C([C@H]1CCCOC1)N1CCn2cccc2[C@H]1c1ccccc1 89828146 AIGXVNZXPMRWCW-FUHWJXTLSA-N 310.397 2.846 0 40 DFAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@H]21 20466700 UFASGAFMLVNLBA-VOVLODBJSA-N 319.445 2.905 0 40 DFAB biogenic,in-vitro CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 526007051 JYSUMPIQQZLOFK-TUVASFSCSA-N 315.479 2.675 0 40 DFAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 72377479 GVZZGIZAKMWZMF-CQSZACIVSA-N 311.389 2.650 0 40 DFAB O=C(O)[C@@H]1CS[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 36612331 OFNXIAXOKQRXIE-JQWIXIFHSA-N 309.778 2.518 0 40 DFAB COCCO[C@H]1CCN(C(=O)N[C@H](C)c2cccc(C)c2C)C1 188798104 XIZTWGAIGMNWEC-CVEARBPZSA-N 320.433 2.811 0 40 DFAB CC(C)CN1CCC[C@H]1c1nc(-c2ccc(N(C)C)nc2)no1 35426254 VZGIUZRNOZEULU-AWEZNQCLSA-N 315.421 2.991 0 40 DFAB biogenic,in-vitro Cc1nc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)[nH]c1C 563441005 UTKJFJGANDHHCP-RYUDHWBXSA-N 315.421 2.647 0 40 DFAB C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1C1CC1 527714668 ZHIRPQKFJMYLTM-XTBFLFJDSA-N 305.443 2.582 0 40 DFAB COc1ccc([C@H](C)NC(=O)c2nnc3ccccc3n2)cc1 46088129 VQCLUSMXDWVZKW-NSHDSACASA-N 308.341 2.524 0 40 DFAB CC[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 40074120 RTKKQIIKJXWAJV-CJNGLKHVSA-N 324.852 2.876 0 40 DFAB Cc1nc(-c2nnsc2C(=O)OCc2ccccc2F)co1 223860325 AXUZQJXRYRKDJN-UHFFFAOYSA-N 319.317 2.998 0 40 DFAB COc1cc(CN2CCOC[C@@H]2c2nc(C)cs2)ccc1O 194998969 IRLRYPCERGGCNE-CYBMUJFWSA-N 320.414 2.739 0 40 DFAB COc1cc(N)cc(Cl)c1NS(=O)(=O)c1ccccc1 227146585 XQKDYRXGSORSDV-UHFFFAOYSA-N 312.778 2.732 0 40 DFAB O=C(NCC[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1F 195536809 SBWCKXLUMJTTSZ-SNVBAGLBSA-N 318.314 2.964 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1ccc(O)nn1 530074158 YODWBBDHHVCJMN-AWEZNQCLSA-N 317.776 2.742 0 40 DFAB CC(C)c1noc(C2CCN(C(=O)c3ccncc3)CC2)n1 41121996 VZBNXYSDAMPCEZ-UHFFFAOYSA-N 300.362 2.608 0 40 DFAB C[C@H](CNC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccncc1 88608239 KIMGQFQPXUNJJL-KDOFPFPSSA-N 319.449 2.816 0 40 DFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCC 223886498 LEIVLNKWQMSCKQ-ZDUSSCGKSA-N 308.397 2.869 0 40 DFAB COc1ccc2cc(C=O)c(I)nc2c1 95473268 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CCOCC(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 9095482 ILVLCEFJXNYQJX-NSHDSACASA-N 305.403 2.859 0 40 DFAB CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2sccc21 95944917 KMHDWJRWCXDKEX-CYBMUJFWSA-N 323.462 2.587 0 40 DFAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2n1 96998791 RQGYXMROMUGOTG-XJKSGUPXSA-N 320.396 2.702 0 40 DFAB O=C(CCCc1cccs1)N1CCC[C@H](n2cncn2)C1 72272248 ACTUDECOZQSUAU-ZDUSSCGKSA-N 304.419 2.526 0 40 DFAB Cc1cccc(C2(O)CCN(C(=O)c3ccccn3)CC2)c1C 72297563 JGCZLFJXPXNHLI-UHFFFAOYSA-N 310.397 2.822 0 40 DFAB CCc1cccc(CC)c1NC(=O)N1CCOC[C@@H]1C[C@@H](C)O 97147646 ZEKVHNWRKPVSLY-CJNGLKHVSA-N 320.433 2.815 0 40 DFAB CC(=O)c1ccc(N(C)C)cc1OCc1nnc(C)n1C1CC1 97114903 QMLTXVJDVXFGAV-UHFFFAOYSA-N 314.389 2.769 0 40 DFAB COc1ccc(CCN[C@@H]2CCSC2)cc1OC(F)F 95967588 PIAKIULXIGRXES-LLVKDONJSA-N 303.374 2.934 0 40 DFAB CC(=O)Nc1nc(C(=O)NC[C@@H](C)c2ccc(C)cc2)cs1 95960636 ZADQQOZFGVOGPY-LLVKDONJSA-N 317.414 2.943 0 40 DFAB c1ccc(-c2nsc(NCCCCN3CCOCC3)n2)cc1 95351234 DMOGSBGQPXLKGE-UHFFFAOYSA-N 318.446 2.729 0 40 DFAB Cn1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cn1 95964448 GXZHQSMLDQHQLS-KRWDZBQOSA-N 311.385 2.749 0 40 DFAB CCN(Cc1ccccc1Cl)C(=O)c1ccc(C)[nH]c1=O 75119570 DVHXNTMGGBJQCI-UHFFFAOYSA-N 304.777 2.999 0 40 DFAB O=C(CCN1CC[C@H]2OCCC[C@@H]2C1)Nc1cccc(F)c1 89775156 LOPJHPSTWFTRLZ-CZUORRHYSA-N 306.381 2.655 0 40 DFAB C[C@H](CCNC(=O)c1occc1-c1ccc(F)cc1)[S@](C)=O 89895498 HPKHSPSZGLSPCV-RKFFSXRUSA-N 323.389 2.973 0 40 DFAB C[C@H](CCNC(=O)NCC1CCC(C)(C)CC1)[S@@](C)=O 89895489 PCSQADGPJCARAI-ODXCJYRJSA-N 302.484 2.659 0 40 DFAB CC(C)c1nnc(NCCNC(=O)Cc2cccc(F)c2)s1 89893816 DOMCESVDHYBBNR-UHFFFAOYSA-N 322.409 2.571 0 40 DFAB CC(C)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1F 190402337 QHOLHAPFNNRUDF-GFCCVEGCSA-N 317.368 2.677 0 40 DFAB O=C([C@H]1COc2ccccc21)N1CCC[C@@H](c2ccncc2)C1 552033425 AONVCZJHBIGZCT-WBVHZDCISA-N 308.381 2.964 0 40 DFAB CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1c(F)cccc1F 125654828 WDMDRFDJJFAXAB-VIFPVBQESA-N 316.373 2.503 0 40 DFAB CC1(C)OCC2(CO1)CN(C(=O)Nc1ccccc1Cl)C2 70972001 RVZMTXYAXBSJNL-UHFFFAOYSA-N 310.781 2.957 0 40 DFAB COc1cccc(COC(=O)c2ccnc(-n3ccnc3)c2)c1 123970975 FOJQJXVMHSMMNR-UHFFFAOYSA-N 309.325 2.633 0 40 DFAB Cc1occc1SCc1ccc(S(=O)(=O)N(C)C)o1 131301077 JEKVGHFCICHDHO-UHFFFAOYSA-N 301.389 2.724 0 40 DFAB COC(=O)c1cc(NCC(=O)N2CCCC[C@H]2C)ccc1Cl 40061531 JSSHMXTVMXGITA-LLVKDONJSA-N 324.808 2.940 0 40 DFAB COC[C@H](NC(=O)c1cn2c(n1)CCC2)c1cccc(Cl)c1 570801755 ACDLVIGCEUPLJH-AWEZNQCLSA-N 319.792 2.600 0 40 DFAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NC(C)C)n1 225889714 BCGMUAIKJPKHEJ-VXGBXAGGSA-N 321.494 2.962 0 40 DFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225206740 AJLACFJHDGBIDW-MRXNPFEDSA-N 324.424 2.701 0 40 DFAB Cc1nc(Cc2ccccc2)ncc1C(=O)NCc1cccnc1 225792770 GGEDEOAPYSYQRO-UHFFFAOYSA-N 318.380 2.701 0 40 DFAB CCc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 226389473 QZIGTFQURZURKZ-OBRKIGFESA-N 322.408 2.672 0 40 DFAB COc1ccsc1C(=O)NCc1nc2ccc(F)cc2[nH]1 80874118 DDFVNCWXGWCNJQ-UHFFFAOYSA-N 305.334 2.702 0 40 DFAB COc1cc(CNC(=O)/C=C/c2ccncc2)c2ccccc2n1 96426780 YTKSIWPVTZXFSH-VOTSOKGWSA-N 319.364 2.968 0 40 DFAB CN(C)Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 94993290 YAHXHXTYDKBKDQ-UHFFFAOYSA-N 319.449 2.805 0 40 DFAB Cc1cccn(CC(=O)N2c3ccccc3SC[C@H]2C)c1=O 97103484 SQIOUKXGTWLVNE-CYBMUJFWSA-N 314.410 2.684 0 40 DFAB COc1ccccc1C1=NO[C@](C)(C(=O)NCc2ccccc2)C1 96193109 KNAXTCUGKSTDEC-IBGZPJMESA-N 324.380 2.895 0 40 DFAB CC[C@@H](NC(=O)CCn1ccccc1=O)c1cc(F)ccc1F 96419064 PWCNQZRUVHBYID-OAHLLOKOSA-N 320.339 2.784 0 40 DFAB Cc1ncc(C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)s1 96408983 CNXVNKNFGNDCGV-CQSZACIVSA-N 320.414 2.702 0 40 DFAB Cc1nn(CCO)c(NCc2ncc(C(C)(C)C)s2)c1C 331313759 HZLQKXMZICKYAO-UHFFFAOYSA-N 308.451 2.858 0 40 DFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCC(C)CC3)C2)cc1 96192825 QBKUWYRFBBIPCE-SFHVURJKSA-N 316.401 2.837 0 40 DFAB CC[C@H](NCc1nncn1C)c1ccc2c(c1)CC(C)(C)O2 96491816 NGKXREXYRATPOK-AWEZNQCLSA-N 300.406 2.770 0 40 DFAB Fc1cccc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1 96110653 MMKPKLNHWJQQNK-IRXDYDNUSA-N 311.404 2.785 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@H]2CCC[C@H]2SC)c1C 96439902 LJEBUNREZLCOHY-UONOGXRCSA-N 310.467 2.603 0 40 DFAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(F)ccc1F 96425511 UDRZUXDBWISTLX-VIFPVBQESA-N 307.344 2.676 0 40 DFAB Cc1ncsc1CN1CC2(C[C@H](OCC3CC3)CS2)C1 248029788 LOTZVFVNNFCUIO-ZDUSSCGKSA-N 310.488 2.938 0 40 DFAB COc1ncccc1C(=O)N1CCC[C@H]1c1cccc2nccn12 257237129 HFHMGKXJJGTONV-HNNXBMFYSA-N 322.368 2.715 0 40 DFAB COc1ccc(-c2nc(CN3CCC(O)CC3)cs2)cc1 64000059 RRXAWQKOVZKPMB-UHFFFAOYSA-N 304.415 2.775 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)n1 257302450 SCZLLXJPMPCWLP-OAHLLOKOSA-N 313.376 2.873 0 40 DFAB COCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257278301 OBRWRWHJGHBLNP-OAHLLOKOSA-N 318.348 2.714 0 40 DFAB O=C(c1ccc2ccccc2n1)N1CCn2nc3c(c2C1)CCC3 253472327 LJOQTUXCVGSIHH-UHFFFAOYSA-N 318.380 2.576 0 40 DFAB Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccnc(N(C)C)c1 257236565 HCTGWWUOAKPIQV-KRWDZBQOSA-N 313.449 2.835 0 40 DFAB CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CC1OCCCO1 280088664 JWYKUGJRDRWWOO-CQSZACIVSA-N 311.809 2.930 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccsc1)c1ccc2c(c1)CCO2 90607233 NSQXUOQLRFVBAS-OAHLLOKOSA-N 316.426 2.716 0 40 DFAB Cc1csc(C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)c1 90612493 IXHIILZFABYCDG-LBPRGKRZSA-N 319.382 2.639 0 40 DFAB CN(CCn1nc2ccccn2c1=O)[C@H]1CCCc2ccccc21 26927737 BTOQYFQNHLMRQX-KRWDZBQOSA-N 322.412 2.505 0 40 DFAB O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1cccc(F)c1C(=O)O 899541376 VSYPJRCADXKRQJ-ZWNOBZJWSA-N 307.321 2.810 0 40 DFAB CCNC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 55339177 QXABBNSTHZURKM-UHFFFAOYSA-N 315.348 2.897 0 40 DFAB C[C@H](CC(=O)O)NC(=O)/C=C/c1cc(Br)cs1 97019331 BAMZUMRONLMCSU-TYWZFMJISA-N 318.192 2.503 0 40 DFAB Cc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 5103011 YZOPMRBEEJYGBQ-NUEKZKHPSA-N 300.402 2.795 0 40 DFAB CCOC(=O)/C(=C/c1ccc(C(=O)OC)cc1)N(CC)CC 5810973 OYJBPOYZDVQSCS-QINSGFPZSA-N 305.374 2.719 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)c2cccnc2n1 12254180 ZUJIVGQXTKCDSH-LNSITVRQSA-N 310.401 2.695 0 40 DFAB O=C(NC1(c2ccccc2)CC1)c1ccc(-n2cnnc2)cc1 12362008 WKMMTOWGZLUVCU-UHFFFAOYSA-N 304.353 2.686 0 40 DFAB Cc1ccc(C(=O)CCN2CCOCC3(CCOCC3)C2)cc1 161887339 OZYRSSLYYMWMQB-UHFFFAOYSA-N 317.429 2.697 0 40 DFAB CSCSC[C@@H](CO)NC(=O)/C=C/c1ccc(C)cc1 1731328 KKGMNRPVIDSMDA-HSBSLETESA-N 311.472 2.539 0 40 DFAB CCSc1ccccc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 239611794 FEPNRHFSKVATPJ-BPLDGKMQSA-N 321.442 2.865 0 40 DFAB COc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 5199682 KTSOYRUSGSZTIE-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB Cc1cnn(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)c1 1848605617 OBZBRTWVXFUZBE-UHFFFAOYSA-N 303.793 2.546 0 40 DFAB Cc1c(C(=O)NCCc2ccccc2F)[nH]c2c1C(=O)CCC2 23643416 QTAPLPFKPLEWEN-UHFFFAOYSA-N 314.360 2.954 0 40 DFAB Cn1cc(CN2CCOC[C@H](Cc3ccccc3Cl)C2)cn1 2037769674 IHPWVDMVEPWDCA-CQSZACIVSA-N 319.836 2.765 0 40 DFAB CCOC(=O)c1csc(NC(=O)c2cccc(OC)c2)n1 193498 UZUMSXZSZBQVMP-UHFFFAOYSA-N 306.343 2.581 0 40 DFAB C[C@](O)(CNC(=O)CCCc1ccccc1)Cc1ccco1 206613593 RTWOJLUEQVAZAL-GOSISDBHSA-N 301.386 2.712 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 40047619 AVLABRZWXQHDOO-CQSZACIVSA-N 303.402 2.766 0 40 DFAB CNC(=O)c1cc(NC(=O)NCCc2cccs2)ccc1F 50088029 URIBZBOVWJNVNN-UHFFFAOYSA-N 321.377 2.611 0 40 DFAB O=C(CCNC(=O)C1CCCC1)Nc1ccc2ccccc2n1 40513969 OLJJOCYANGMUAP-UHFFFAOYSA-N 311.385 2.870 0 40 DFAB COC(=O)C[C@H](NC(=O)c1cc(C)oc1C)c1ccccc1 32820947 YIVKMJMWSBFZKP-HNNXBMFYSA-N 301.342 2.931 0 40 DFAB O=C(CCn1ccnn1)Nc1ccc(OC(F)F)c(Cl)c1 32908089 NZCHFIOAGPFGQK-UHFFFAOYSA-N 316.695 2.562 0 40 DFAB CC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F 509620 UGNUYLYQBRSZJT-UHFFFAOYSA-N 315.217 2.764 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1C[C@H]1c1ccc(F)cc1 53525690 FBWZWWREAIIUTF-QWHCGFSZSA-N 323.331 2.748 0 40 DFAB CNC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 42005335 QENAPZAJULKXMI-UHFFFAOYSA-N 320.458 2.615 0 40 DFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 23294644 TYKFDEMIBKRPDK-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)OCC(C)C)c1 42472359 KNYURKPEQPDUBG-OLZOCXBDSA-N 309.406 2.942 0 40 DFAB NC(=O)[C@H](NCCCn1ccc2ccccc21)c1ccccc1 54583896 SZFZXGAVKSUFDH-GOSISDBHSA-N 307.397 2.848 0 40 DFAB CCOC(=O)c1sc(NC(=O)CC)c(C(=O)OCC)c1C 41561 WPASJSMBYVFAKX-UHFFFAOYSA-N 313.375 2.758 0 40 DFAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 204252 OATADCACUCTNIL-YYIAUSFCSA-N 302.349 2.716 0 40 DFAB COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)(F)F)CC2=O 305075 NQJASZMLBMBHRG-JTQLQIEISA-N 312.190 2.547 0 40 DFAB O=C(Oc1cc(=O)oc2ccccc12)c1ccc2c(c1)OCCO2 458907 SJINFHCBGSKLEH-UHFFFAOYSA-N 324.288 2.783 0 40 DFAB COc1cccc(CSc2nnc(-c3ccccc3)n2N)c1 525010 NMNUOCCGTAKXAX-UHFFFAOYSA-N 312.398 2.960 0 40 DFAB Cc1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 558343 GEXJCANOOXLCKO-UHFFFAOYSA-N 314.366 2.851 0 40 DFAB Cn1c(SCC(=O)O)nnc1-c1ccccc1C(F)(F)F 2523779 RWRPCAZPEUCMOE-UHFFFAOYSA-N 317.292 2.678 0 40 DFAB O=C(c1cccnc1Cl)N1CCN(c2ccccc2F)CC1 2582401 KAJQSNAFCGBZBN-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB COc1ccc(OC)c(NC(=S)NCCCOC(C)C)c1 2784024 RGRFNZSSZFQHNH-UHFFFAOYSA-N 312.435 2.805 0 40 DFAB Cc1ccc(-c2cc(C(=O)Nn3c(C)cc(C)cc3=O)no2)cc1 2797624 PGFXIQCYWKJPDI-UHFFFAOYSA-N 323.352 2.812 0 40 DFAB Cc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1 4600298 HXHZVVCDEYUNMH-UHFFFAOYSA-N 300.402 2.618 0 40 DFAB aggregator COc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 5100026 VHXZSYWVJJPRGM-YALNPMBYSA-N 309.365 2.953 0 40 DFAB COCc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 5254101 GXJCYHDNLSTVBZ-UHFFFAOYSA-N 317.316 2.768 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 5424614 NFGNCZVTYHRPGV-UHFFFAOYSA-N 306.325 2.841 0 40 DFAB CCn1ncc(Br)c1C(=O)N1CCC[C@@H](C)C1 6490040 KZPFBVCPQQZTNS-SECBINFHSA-N 300.200 2.538 0 40 DFAB COCCCNC(=O)[C@@H](C)n1cc(C(C)=O)c2ccccc21 6957481 WHCPTOVPGIKBMN-GFCCVEGCSA-N 302.374 2.558 0 40 DFAB O=C(OCc1nc(-c2cccs2)no1)c1ccccc1O 7165898 UDKWEDNKOIKZEM-UHFFFAOYSA-N 302.311 2.861 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 7308188 LWGNQEAXQNDSPB-NXEZZACHSA-N 323.336 2.503 0 40 DFAB CC[C@H](C)NC(=O)COc1cc(C)nc2ccc(OC)cc12 7942488 JZCKYDWXTPAVQJ-NSHDSACASA-N 302.374 2.845 0 40 DFAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)NC(C)C)c1 8194584 KYYAFVRBDQPKJA-GFCCVEGCSA-N 318.446 2.889 0 40 DFAB COc1ccc(C)cc1NC(=O)c1cnn(-c2ccccc2)n1 9446269 HALMTUHEJXHPFP-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)nc1)Nc1ccccc1F 10410176 OEZQNIKULSIQFH-UHFFFAOYSA-N 316.336 2.701 0 40 DFAB Cc1csc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 10555258 HBEHZYPGPZMUML-UHFFFAOYSA-N 315.398 2.760 0 40 DFAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)CCCC2 11546927 FCTIOVJJQISGKT-UHFFFAOYSA-N 320.396 2.581 0 40 DFAB O=C(CNC(=O)C1CCCCC1)NCC1(c2ccccc2)CC1 11750605 JFXKBKKSMOWJAT-UHFFFAOYSA-N 314.429 2.531 0 40 DFAB O=C(Cc1ccccc1)NCc1ccc(N2CCCC2=O)cc1 12807616 QREPRNVGVGSMBO-UHFFFAOYSA-N 308.381 2.672 0 40 DFAB O=C(CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)cc1 13378197 ZBFSUZGUYFFWGY-GOSISDBHSA-N 314.381 2.983 0 40 DFAB biogenic,in-vitro CC(=O)c1cc2c(cc1NC(=O)Cc1ccccc1)OCCO2 13946021 FUCMOHJTLXGYTF-UHFFFAOYSA-N 311.337 2.842 0 40 DFAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(OC)ccc1OC 13947232 JRGPYZYWEFHFLZ-LBPRGKRZSA-N 313.419 2.657 0 40 DFAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCCC1 14201966 FNLVANIKJFCBIN-GFCCVEGCSA-N 310.806 2.765 0 40 DFAB CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1c[nH]c2ccccc12 15021810 SZFISJWVBISQGR-AWEZNQCLSA-N 315.417 2.919 0 40 DFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1 16129110 MODSRYNUXPVOTI-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB COc1ccccc1-c1ccnc2nc(N3CCCC3)[nH]c(=O)c12 19819849 CGQIZPKCUJMRJC-UHFFFAOYSA-N 322.368 2.594 0 40 DFAB CCc1cccc(CC)c1NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937503 AIJLKJCPNDBZDO-UHFFFAOYSA-N 313.401 2.693 0 40 DFAB NS(=O)(=O)c1ccc(CNc2nc3ccccc3s2)cc1 20547249 NPKYOKUTFBBFPT-UHFFFAOYSA-N 319.411 2.556 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(C(C)C)s1 22134621 XPWJMJQVXNPTAG-UHFFFAOYSA-N 307.423 2.583 0 40 DFAB CCc1nc2sc([C@H](c3ccco3)N3CCCC3)c(O)n2n1 22853019 LXUBCVNRVLLLRZ-LBPRGKRZSA-N 318.402 2.837 0 40 DFAB CCC1CCC2(CC1)NC(=O)N(C[C@H](O)c1ccccc1)C2=O 24093081 JPZPLYRBIFQYLL-DBQDNQAGSA-N 316.401 2.611 0 40 DFAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc2c(c1)CCC2 24778919 WGCCUQPFEQHYGI-UHFFFAOYSA-N 323.352 2.576 0 40 DFAB O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CCC2 30319187 AXTOGJFSTXSPKR-UHFFFAOYSA-N 320.436 2.963 0 40 DFAB CC(C)n1ncc2cc(NC(=O)CC[C@@H]3CCCO3)cnc21 31895436 GWLCNFBKWNIKJS-AWEZNQCLSA-N 302.378 2.910 0 40 DFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 32080857 DNSPNWGGGILWEV-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB C[C@H]1NC(=S)N(c2ccc3c(c2)OC2(CCCCC2)O3)C1=O 32855767 SLLFXHXLAYFSCL-SNVBAGLBSA-N 318.398 2.728 0 40 DFAB COc1ccc(NC(=O)CCCNC(=O)C2CC2)cc1Cl 32914052 CUNWKRVHDPAOHY-UHFFFAOYSA-N 310.781 2.594 0 40 DFAB O=C(Cn1ccccc1=O)N[C@H](c1cccs1)C1CCCC1 32924358 GTCPRGQPSVGQMZ-KRWDZBQOSA-N 316.426 2.958 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(F)c2)C1 40098031 RIAHNVGMHDGVJM-GFCCVEGCSA-N 308.353 2.941 0 40 DFAB COc1cc(OC)cc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)c1 40309953 RHYBEWUZABJLQT-HKUYNNGSSA-N 324.380 2.628 0 40 DFAB biogenic Cc1cc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc(N)n1 40490476 WFEFZWNJHOSOAP-LBPRGKRZSA-N 308.389 2.628 0 40 DFAB CCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 42646268 GYRQZMQXFUTJMQ-UHFFFAOYSA-N 313.195 2.612 0 40 DFAB CN(C)C(C)(C)CNC(=O)NC[C@@H]1CCCc2ccccc21 43188760 VTNFRCHGWTZWLK-HNNXBMFYSA-N 303.450 2.746 0 40 DFAB CC(=O)N1CCC(NC(=O)N2CCC[C@H]2c2ccsc2)CC1 43880441 RNFXFIMZEZVEGL-HNNXBMFYSA-N 321.446 2.606 0 40 DFAB O=C1C[C@@H](c2noc(-c3ccncc3)n2)CN1c1cccc(F)c1 44419878 CFLWZXSGRRRXRU-GFCCVEGCSA-N 324.315 2.791 0 40 DFAB CN(CC(=O)NCc1cccs1)Cc1ccc(F)c(F)c1 44438109 WEBNEEFVBPSHHB-UHFFFAOYSA-N 310.369 2.775 0 40 DFAB Cc1ccc(NC(=S)NC(=O)c2ccccc2)c(C(=O)O)c1 44858613 ZVGNEVQADAPXDU-UHFFFAOYSA-N 314.366 2.820 0 40 DFAB NC(=O)[C@@H]1CCCCN1Cc1csc(-c2cccs2)n1 44871294 MBOGFVWTTOGOIU-NSHDSACASA-N 307.444 2.711 0 40 DFAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccoc1)CC2 47087990 PIOGALISBGYUHG-UHFFFAOYSA-N 316.357 2.565 0 40 DFAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@@H]1CCOC1 48333446 QUXLWZDIDTZLIE-LBPRGKRZSA-N 318.348 2.566 0 40 DFAB COc1ccc2ccccc2c1CN[C@@H](C)CN1CCCC1=O 48382329 FCIYHCIQECEDEW-AWEZNQCLSA-N 312.413 2.949 0 40 DFAB CCN(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1C 52876388 HBWCDLATOFDFND-UHFFFAOYSA-N 311.385 2.559 0 40 DFAB CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](C)c1cccs1 54042090 TXENZKFDODIMEB-WDEREUQCSA-N 314.476 2.573 0 40 DFAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccco2)n1 56667982 OERIAFKHMSRYPR-UHFFFAOYSA-N 324.388 2.731 0 40 DFAB Cc1cc(NC(=O)NC2CCN(CC3CCCC3)CC2)n(C)n1 58048889 ZOWPZFABRPZIHY-UHFFFAOYSA-N 319.453 2.505 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)sc1C 58146473 YUZAWFHVJIUJDC-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(F)c1F 58224265 WBLBGIHPUIZTPK-AWEZNQCLSA-N 322.311 2.951 0 40 DFAB O=C(NCCc1cccc(F)c1)NC[C@@H](O)c1cccc(F)c1 58283583 LKRJMLWYUAPTRD-MRXNPFEDSA-N 320.339 2.540 0 40 DFAB CC1(C)COCCN1C(=O)c1cccc(CN2CCCC2)c1 58357960 FXKSUTSUDBAHBU-UHFFFAOYSA-N 302.418 2.533 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCc3ccc(F)cc32)n1 58742341 UVBPOBLEXHYKFB-UHFFFAOYSA-N 303.337 2.854 0 40 DFAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)N1CCCC[C@@H]1C 59843290 UPFWFTXIXBTQCT-NSHDSACASA-N 302.353 2.729 0 40 DFAB COc1cc(Br)cc(C)c1NC(=O)[C@H]1CCOC1 60129441 KRTDPOQQCBJDTG-VIFPVBQESA-N 314.179 2.741 0 40 DFAB CCN(CC)c1ccc(C(=O)O[C@H](C)c2nnc(C)o2)c(O)c1 62279761 DMVUKJDGZBXIHO-SNVBAGLBSA-N 319.361 2.848 0 40 DFAB Cc1nc(-c2cccc(NC(=O)c3ccc4[nH]nnc4c3)c2)no1 64330269 LNLADPPWYKRIAY-UHFFFAOYSA-N 320.312 2.569 0 40 DFAB Cc1ccc(CC(=O)Nc2ncn(Cc3ccccc3)n2)s1 64808188 BXWLLQOOJQWRPH-UHFFFAOYSA-N 312.398 2.878 0 40 DFAB CCc1cc(=O)n(Cc2cc(F)ccc2F)c(N2CCCC2)n1 65307501 ZIVLTAGKANCSAF-UHFFFAOYSA-N 319.355 2.732 0 40 DFAB C[C@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)C1CC1 69509457 BDYVSRVNLOSRKV-PWSUYJOCSA-N 308.451 2.620 0 40 DFAB COc1cccc(N2CC[C@@H](CNC(=O)Cc3ccccc3)C2)c1 69570704 OUWAMUFZAUDEBQ-KRWDZBQOSA-N 324.424 2.880 0 40 DFAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOc1cccc(F)c1 69770545 LUAYGKYAXRMGCM-MSOLQXFVSA-N 320.408 2.680 0 40 DFAB C[C@@H](NCC1CCN(CCO)CC1)c1ccc(F)c(Cl)c1 69810217 KESJUSRSOHJEIR-GFCCVEGCSA-N 314.832 2.834 0 40 DFAB O=C1[C@@H]2CSCN2C(=O)N1c1cccc(C(F)(F)F)c1 71405103 CFDDKHLKERAWBR-VIFPVBQESA-N 302.277 2.547 0 40 DFAB Cc1cc(Br)oc1C(=O)N1CCC(N(C)C)CC1 71821505 MVYGOKVKNINSMK-UHFFFAOYSA-N 315.211 2.517 0 40 DFAB CN(Cc1ccc(Cl)s1)CC1CCN(CCO)CC1 71871546 DNDPTDDYNIXYBV-UHFFFAOYSA-N 302.871 2.538 0 40 DFAB CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 71900488 GYTLJJOCZDCNTO-LLVKDONJSA-N 311.223 2.674 0 40 DFAB NC(=O)c1csc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 72293699 AYLOVFBWKAQALV-NWDGAFQWSA-N 320.801 2.786 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1cccc2c1CCCC2 72294155 WBMGMWOZTQKIJG-CYBMUJFWSA-N 308.447 2.801 0 40 DFAB CO[C@]1(C)C[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1(C)C 73269316 PUXJIDSCMKFWGQ-WMLDXEAASA-N 322.380 2.718 0 40 DFAB O=C1NCc2ccc(NC(=O)c3sccc3OC(F)F)cc21 78757840 BTYYHSIETLNWBS-UHFFFAOYSA-N 324.308 2.845 0 40 DFAB CCC(=O)N1CC[C@@H](NC/C=C/c2ccccc2OC)[C@H](C)C1 78897156 VIOQKWVXXDYDMU-KYZJMWGYSA-N 316.445 2.945 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2cccnc12 78897999 KVZPDRMHNVACNE-RDTXWAMCSA-N 323.440 2.971 0 40 DFAB Cc1nn(C)c(C)c1CNC(=O)CCc1cn(C)c2ccccc12 79482431 MHHUMIKLQNAGPT-UHFFFAOYSA-N 324.428 2.778 0 40 DFAB Cc1cc(F)cc(S(=O)(=O)N(C)Cc2scnc2C)c1 80752116 GLGUKMCNTNJPHN-UHFFFAOYSA-N 314.407 2.720 0 40 DFAB CCCOCC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 87258783 GBMMDGMOYYOZQU-WMZOPIPTSA-N 313.401 2.655 0 40 DFAB NC(=O)CCN(C(=O)c1cc2c(s1)CCC2)c1ccccc1 89841192 PZIUXRHJUVZSFB-UHFFFAOYSA-N 314.410 2.759 0 40 DFAB O=C(NCc1ccnc(OC2CCC2)c1)[C@H]1CC1(Cl)Cl 90013761 DFTPBJWPZSDYKF-LLVKDONJSA-N 315.200 2.823 0 40 DFAB Cc1cc(S(=O)(=O)N(C)c2c(C)noc2C)sc1C 91018311 IQVTYOVGZCAJDS-UHFFFAOYSA-N 300.405 2.795 0 40 DFAB CCCOCc1ccccc1CNC(=O)N1CCOCC[C@@H]1C 91607042 KOOAFPRHVCNMPN-HNNXBMFYSA-N 320.433 2.934 0 40 DFAB C[C@@H](CNC(=O)c1ccc(Cl)s1)CC1(C)OCCO1 95960887 PWKAFRBXCBXSSM-SECBINFHSA-N 303.811 2.921 0 40 DFAB O=c1onc(-c2cccs2)n1Cc1ccn(C2CCCC2)n1 95966848 CVUYRLMZFBQCBX-UHFFFAOYSA-N 316.386 2.925 0 40 DFAB Cc1c(Br)cccc1NCCCS(C)(=O)=O 95967142 WBZKZWJGRDZTBI-UHFFFAOYSA-N 306.225 2.604 0 40 DFAB CC(C)OCC[C@@H]1CCCCN1C(=O)c1cccc(C(=O)O)n1 95989938 CESJOEJSNKYQIE-ZDUSSCGKSA-N 320.389 2.590 0 40 DFAB COc1ccccc1[C@H](N[C@H]1CCSC1)c1noc(C)n1 95991406 ZKOAUHRKLLCINL-FZMZJTMJSA-N 305.403 2.571 0 40 DFAB CO[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccccc1C 96105015 LXCYGEIESOXVPT-INIZCTEOSA-N 300.358 2.978 0 40 DFAB C[C@@H](Cn1cncn1)NC(=O)C1(c2cccs2)CCCCC1 96414288 JHUCTYIYQSOSIV-ZDUSSCGKSA-N 318.446 2.746 0 40 DFAB CN(C)c1ccccc1NC(=O)NCc1ccc(O)c(F)c1 96415792 RMDRYBUFDBHKSI-UHFFFAOYSA-N 303.337 2.919 0 40 DFAB Cc1c(C(=O)OC[C@H]2CCCN2C(N)=O)sc2ccccc12 96442162 RKWIZUQUCJSKRV-LLVKDONJSA-N 318.398 2.910 0 40 DFAB C[C@@H](CCO)CNC(=O)[C@H](C)c1ccc(Br)cc1 96487687 MNLHOTQUVHJCKL-WDEREUQCSA-N 314.223 2.687 0 40 DFAB COCc1nnc(-c2cccc(C(=O)N3CCC(C)(C)C3)c2)o1 96494421 YPMWUDUKJSFOJZ-UHFFFAOYSA-N 315.373 2.755 0 40 DFAB CN(C)c1ccc(C(=O)NCC(=O)c2cccs2)c(F)c1 97022596 YDDZOZUQWVFACM-UHFFFAOYSA-N 306.362 2.566 0 40 DFAB C[C@H](CC(=O)N1CCCCCC1)Nc1cnn(CC(F)F)c1 97038026 XTXHKJRCEGGSET-GFCCVEGCSA-N 314.380 2.741 0 40 DFAB CO[C@@H]1CCC[C@@H]1OC(=O)c1c(-c2ccncc2)noc1C 97094946 ZZBBRKSQEMABPD-OLZOCXBDSA-N 302.330 2.769 0 40 DFAB Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2c1ccccc1F 97105463 FKCNCXWMZWOQIY-HNNXBMFYSA-N 308.316 2.725 0 40 DFAB CC(C)c1nnc2n1C[C@H](Nc1ncnc3sccc13)CC2 97199318 LTZATUSOEFLUDP-SNVBAGLBSA-N 314.418 2.833 0 40 DFAB CC[C@@H]1Oc2cc([C@@H](C)NC[C@@H]3CCCOC3)ccc2NC1=O 97230681 IJJIKMJPTXRLRZ-WWGRRREGSA-N 318.417 2.873 0 40 DFAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@]2(CNC(=O)C2)C1 98016346 PHCDAXVSTUXORG-YVEFUNNKSA-N 305.422 2.635 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3ccccc3nc12 100913577 BKXBPGLODGHXIS-MGPLVRAMSA-N 318.398 2.673 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)C[C@@H]1C=CCC1)C2 107711491 PUHMJKCLDCQMOP-SOLBZPMBSA-N 307.434 2.777 0 40 DFAB COC(CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)OC 161968792 ILPHZOXPLMDHMN-SECBINFHSA-N 324.368 2.960 0 40 DFAB C[S@](=O)Cc1cc(NCc2ccc(CO)o2)ccc1Cl 195558968 DVACQDRJEVEQPM-FQEVSTJZSA-N 313.806 2.916 0 40 DFAB O[C@@H](CN[C@@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 195560601 MBDJYMICKPBJSC-HOCLYGCPSA-N 313.332 2.621 0 40 DFAB O=C(N[C@H]1CCN(c2nccs2)C1)c1cc2ccccc2o1 206808204 ABOSWQQDHYPTDR-LBPRGKRZSA-N 313.382 2.898 0 40 DFAB O=C(Cn1cccn1)N1CCS[C@H](c2cccs2)CC1 219504578 MXJSZNHBSVMRHW-ZDUSSCGKSA-N 307.444 2.651 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 223795739 FRWCOOIAUZGZLJ-UHFFFAOYSA-N 319.382 2.891 0 40 DFAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225647574 DVDRUEZINSCYRP-UHFFFAOYSA-N 308.422 2.771 0 40 DFAB CC(C)(C)C1=NS(=O)(=O)c2c(C(=O)O)ccc(Cl)c21 239563026 PXWQNKWYACSAMH-UHFFFAOYSA-N 301.751 2.576 0 40 DFAB COc1cccc(CCNCc2cnn(C)c2C(F)(F)F)c1 256050290 DMVUGQBOUZAZJM-UHFFFAOYSA-N 313.323 2.780 0 40 DFAB CNc1cc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)ccn1 257295636 QZFNPIFGCGJAFY-CQSZACIVSA-N 323.462 2.575 0 40 DFAB CCC(=O)NC[C@H]1CC[C@H]([C@@H](NC(C)=O)c2ccccn2)CC1 257339147 ZAJWFOJUHHUJKC-IIDMSEBBSA-N 317.433 2.591 0 40 DFAB O=C(C1CCC1)N1CC2(C[C@H](OCC3CCCC3)CCO2)C1 575405344 SEEIZUAZBYXVNI-MRXNPFEDSA-N 307.434 2.753 0 40 DFAB CC(C)(C)C(=O)CCCC(=O)N[C@H]1CCO[C@@H]1c1ccncc1 576345722 TXYDFWMNBLMVCJ-WMLDXEAASA-N 318.417 2.813 0 40 DFAB Cc1nnc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)c2ccccc12 1889125155 SIGQTLDQMGOPCR-GJZGRUSLSA-N 308.429 2.859 0 40 DFAB C[C@@H]1CN(C(=O)CN2CCCCC[C@@H]2c2ccco2)C[C@@H](C)O1 78833560 WSYDRDYQVSJIOT-BZUAXINKSA-N 320.433 2.833 0 40 DFAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3cccnc3)cnc21 25392879 GAZGBORBBPOZBH-GFCCVEGCSA-N 309.373 2.898 0 40 DFAB Cc1ccc(C[C@@H](CC(=O)O)C(=O)NCc2ccccc2)cc1 4713963 NFAMWUCZFZSGMK-KRWDZBQOSA-N 311.381 2.945 0 40 DFAB O=C(CCc1cscn1)N1CCC[C@@H]1c1noc(C2CC2)n1 84338705 IPZNRWYJXHSCJC-GFCCVEGCSA-N 318.402 2.700 0 40 DFAB C[C@H](NC(=O)c1cnc2ccccc2n1)c1nc2ccccc2[nH]1 12549852 XJUDXFYJDVYOGA-NSHDSACASA-N 317.352 2.997 0 40 DFAB COC(=O)c1ccc(NC(=O)N(C)Cc2ccc(O)cc2)cc1 57985260 WFQVWINIGSRYBL-UHFFFAOYSA-N 314.341 2.843 0 40 DFAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3OCC(C)C)cc1 107265361 VESOQHCNMARLLL-PVAVHDDUSA-N 323.458 2.819 0 40 DFAB CCc1cc(=O)oc2c(C)c(OCC(=O)OC(C)C)ccc12 2479744 IPBCCYMTCDMEAY-UHFFFAOYSA-N 304.342 2.994 0 40 DFAB CCOC(=O)C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 52945351 NNGDTZFLXABVQO-UHFFFAOYSA-N 309.793 2.684 0 40 DFAB O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N1 2785418 KHUSSQGFSPENLY-YBEGLDIGSA-N 317.348 2.870 0 40 DFAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)o1 3259828 RYLRYLODIVXMCG-LBPRGKRZSA-N 301.342 2.931 0 40 DFAB Cc1csc(CNC(=O)NC[C@H]2COc3ccccc3C2)n1 48197165 BHIJLHCLGDFYFE-LBPRGKRZSA-N 317.414 2.502 0 40 DFAB COC(=O)C[C@@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 84823359 XCHDHWKIGHUQIF-LLVKDONJSA-N 320.370 2.562 0 40 DFAB CCN1CCC[C@H]1CNC(=O)c1sccc1-n1cccc1 48341014 SMHHLHLJJWJZGF-ZDUSSCGKSA-N 303.431 2.753 0 40 DFAB CCNC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423099 NYQPMGVVGGIODA-HOTGVXAUSA-N 303.475 2.666 0 40 DFAB COc1ccc2[nH]c(C(=O)NCc3ccco3)cc2c1OC 48301976 CBJOVZAGXUWUDO-UHFFFAOYSA-N 300.314 2.708 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 12816599 KMGQHGKXIXJFPD-CQSZACIVSA-N 314.316 2.899 0 40 DFAB Cc1csc(NC(=O)CCCn2c(=O)oc3ccccc32)n1 3402720 HBOMELNCXMUVKI-UHFFFAOYSA-N 317.370 2.778 0 40 DFAB COc1ncccc1NC(=O)NC[C@H](c1cccs1)N(C)C 48414353 DLRSJFQNLZUZSI-GFCCVEGCSA-N 320.418 2.576 0 40 DFAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 49873614 KZBFSSDPIJCAAJ-VIFPVBQESA-N 304.173 2.620 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCC2 39976619 QBLMNTIQXAUCME-UHFFFAOYSA-N 300.383 2.978 0 40 DFAB NC(=O)c1ccccc1OCc1cc(Cl)c2c(c1)OCCO2 5281972 PJTCCBIPZSUSQT-UHFFFAOYSA-N 319.744 2.789 0 40 DFAB CC(C)c1cccc(NC(=O)N(C)CCN2CCOCC2)c1 65548465 ZLGINOZZTCOZBP-UHFFFAOYSA-N 305.422 2.606 0 40 DFAB N=C1C(=O)OC[C@H]1c1ccccc1NC(=O)Nc1ccccc1 4649548 QOHUJEODVSQNNK-ZDUSSCGKSA-N 309.325 2.991 0 40 DFAB COc1ccc(CC(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1 6608441 IKGJTCOWIZRUBM-CYBMUJFWSA-N 319.401 2.618 0 40 DFAB Cc1cccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 6786666 MEQREPKSVGULBX-IBGZPJMESA-N 306.365 2.889 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976167 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YMXCBCJUSRVNLI-UHFFFAOYSA-N 322.359 2.755 0 40 DFAB CCN(C[C@H]1CCOC1)S(=O)(=O)Cc1ccccc1Cl 65611969 NUHBNWCMJBAYFE-GFCCVEGCSA-N 317.838 2.528 0 40 DFAB COc1cc(C(=O)N(C)OC)ccc1OCc1c(C)noc1C 14187407 FVCYMRDLRNUMEP-UHFFFAOYSA-N 320.345 2.512 0 40 DFAB O=C(NCc1ccccc1F)c1cncc(Br)c1 6551720 LOMHEFFKPOMXHM-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB COc1ccc(N[C@H](C)C(=O)Nc2nc(C)cs2)c(OC)c1 4736078 PNLJPUHMLRLUSI-SNVBAGLBSA-N 321.402 2.908 0 40 DFAB COc1cccc([C@H](O)c2nnc(-c3ccccc3)o2)c1OC 6938765 NSRRIMBXAWQMGG-AWEZNQCLSA-N 312.325 2.836 0 40 DFAB O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1 4902051 OWVODJQETHOSTO-UHFFFAOYSA-N 314.360 2.844 0 40 DFAB O=C(Nc1cc(-c2cccc(F)c2F)n[nH]1)[C@@H]1C[C@H]2CC[C@H]1O2 110684590 ZIGUXEFYMPWNRL-ZDSQKVDBSA-N 319.311 2.861 0 40 DFAB CC(C)c1ccc(C[S@@](=O)CC(=O)NCc2ccco2)cc1 69350746 OHXIGHKZZLNWHO-QFIPXVFZSA-N 319.426 2.968 0 40 DFAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)sc2ccccc12 71829743 AJYLGLORGOFQNN-ZYHUDNBSSA-N 316.426 2.936 0 40 DFAB CC(C)CC(=O)OCc1nc2ncc(Br)cc2[nH]1 71910323 CBUIWORHJLCJKO-UHFFFAOYSA-N 312.167 2.810 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1C 69773625 QJLJASTXYRDUMY-IRXDYDNUSA-N 303.450 2.824 0 40 DFAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 69740361 ZEAZZOSQTNZSHZ-SFHVURJKSA-N 308.425 2.981 0 40 DFAB Cn1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)cn1 97140596 KIVUXPBGLMHODH-UHFFFAOYSA-N 301.680 2.927 0 40 DFAB O=c1cc(CN(Cc2cccnc2)Cc2ccco2)occ1O 97237250 NMOGUTCVCZTUNW-UHFFFAOYSA-N 312.325 2.536 0 40 DFAB Cc1nnc([C@H](C)N(C)Cc2nccn2Cc2ccccc2)o1 72774366 XLUWYSGBRAUFRW-ZDUSSCGKSA-N 311.389 2.816 0 40 DFAB COC(=O)c1c(C2CC2)csc1NC(=O)C[C@H]1CCCO1 84577079 YMRZAZLVGDPBOZ-SNVBAGLBSA-N 309.387 2.920 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)N1CCOc2ccc(F)cc21 88265377 UREACMWKPFISFI-UHFFFAOYSA-N 317.364 2.534 0 40 DFAB O=C(Nc1ccccc1CN1CCNC1=O)c1ccc(F)cc1 95993547 FMPCWURZPPZANH-UHFFFAOYSA-N 313.332 2.603 0 40 DFAB CCc1cc(CNC(=O)Nc2cc(CC(C)(C)C)nn2C)[nH]n1 75137603 AXPMXJWGGCWSLK-UHFFFAOYSA-N 318.425 2.616 0 40 DFAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(Cl)s1 89930509 UMRYCMNZEPJYOI-QWHCGFSZSA-N 313.854 2.772 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ccccn2)C[C@H](c2ccsc2)O1 89936957 CDDMJUARYCRUGW-IUODEOHRSA-N 317.414 2.815 0 40 DFAB C[C@H](NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1 89913534 VGOGQKJSLLRMMN-LBPRGKRZSA-N 309.373 2.529 0 40 DFAB CCCOc1ccc(CCC(=O)N[C@@H](C)c2noc(C)n2)cc1 89960295 QLYWJMQWHMCLJF-LBPRGKRZSA-N 317.389 2.977 0 40 DFAB O=S1(=O)c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 306136267 POJQZIQUVIWQTO-DZGCQCFKSA-N 305.424 2.503 0 40 DFAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc2ccn(C)c12 1561118035 VTTFSWXYUBUDLP-LBPRGKRZSA-N 318.398 2.681 0 40 DFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O 409014019 OMIPVPVXPWIWHY-MXFUOJGSSA-N 309.343 2.576 0 40 DFAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)NC(=S)N1 3844157 KYJKZYBRRYMTTF-AWEZNQCLSA-N 304.415 2.679 0 40 DFAB biogenic O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccncc1 526052512 WXUAMEKNNBRXBG-UHFFFAOYSA-N 300.318 2.992 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](CO)[C@@H]2c2ccc(F)cc2)cc1 218561669 SVXIUGWFYGUGTA-IKGGRYGDSA-N 320.385 2.682 0 40 DFAB C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1C1CC1 527714667 ZHIRPQKFJMYLTM-OYNZBZHQSA-N 305.443 2.582 0 40 DFAB COc1ccc(CCC(=O)NC[C@H](O)c2cc(C)oc2C)cc1 1565519370 FYTPYMMNIYUSKK-KRWDZBQOSA-N 317.385 2.687 0 40 DFAB Cc1ccccc1OC[C@H](O)Cn1ccnc1-c1ccncc1 76082645 CIMGBQMJCZPVPC-MRXNPFEDSA-N 309.369 2.693 0 40 DFAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(-n2cccc2)c1 78610218 LKMZOIJPIYVMMH-OAHLLOKOSA-N 315.348 2.566 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1 78403970 JCTVFLYPRNFTHY-LLVKDONJSA-N 318.398 2.853 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CCCN1c1ncccc1Cl 134900068 KDJSFCQNNZCBAJ-ZDUSSCGKSA-N 305.765 2.613 0 40 DFAB COC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1OC 225480611 IWWKYXHGGAWCJB-UHFFFAOYSA-N 302.330 2.816 0 40 DFAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 226388671 BCNNJHDWOXQMDX-BLONOQDTSA-N 322.408 2.726 0 40 DFAB CCc1cc(NC(=O)N2CCC(c3ccncc3)CC2)n(C)n1 191898320 ZUEJSCVARQHRJP-UHFFFAOYSA-N 313.405 2.789 0 40 DFAB CCOc1ccc(C(N)=O)cc1COc1ccccc1OC 224572746 REXZOHYQALKFRN-UHFFFAOYSA-N 301.342 2.772 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)N1CCc2ccccc2C1 45865912 DCIDSWSMBOSMJW-UHFFFAOYSA-N 305.374 2.881 0 40 DFAB CCS(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 224137375 FYBYZBMHCFLKKL-UHFFFAOYSA-N 301.371 2.763 0 40 DFAB CC(=O)N1CCc2cc(C(=O)O[C@H](C)c3nccs3)ccc21 80334786 INLNJGKBLFZSIY-SNVBAGLBSA-N 316.382 2.970 0 40 DFAB Cc1cccc(C(=O)NCCN[C@@H](C)c2cnc(C)s2)c1 95445299 MWZMFRRNFKZTOC-LBPRGKRZSA-N 303.431 2.841 0 40 DFAB Cc1ncccc1CN1CCN(C(=O)CC2CCCC2)CC1 96489653 ZCIZXGUNXADGCG-UHFFFAOYSA-N 301.434 2.615 0 40 DFAB O=C(COc1cccc(-n2cccn2)c1)NC(C1CC1)C1CC1 96414751 SAFOMHKSQIXAQW-UHFFFAOYSA-N 311.385 2.556 0 40 DFAB COC(=O)C(C)(C)[C@@H]1CCCN(Cc2nc(C)ccc2O)C1 97235724 HLMWJOKTLKSFCX-CYBMUJFWSA-N 306.406 2.507 0 40 DFAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccoc1C)C2 96056825 LKEMQJNJEFRXHR-RDJZCZTQSA-N 307.390 2.636 0 40 DFAB CCOCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2 96259819 ZFXNAIWPSYPNOE-UHFFFAOYSA-N 315.417 2.981 0 40 DFAB Cc1nccn1CCCNC(=O)c1ccccc1OC1CCC1 96411201 KOYCTMKZFWSCMB-UHFFFAOYSA-N 313.401 2.943 0 40 DFAB COCCN1C(=O)CC[C@]12CCCN(Cc1ccsc1)CC2 96217782 QWCKMLNQPDNCKU-KRWDZBQOSA-N 322.474 2.742 0 40 DFAB Cc1nn(CCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)c(C)c1Cl 248051282 XAQOCPFIPZPNPR-HZSPNIEDSA-N 319.836 2.872 0 40 DFAB CN(C(=O)CCc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 257235545 GYGBUQDRRVEKSX-QGZVFWFLSA-N 324.428 2.537 0 40 DFAB Fc1ccc(N2CCC[C@@H](c3cncc(-c4ncc[nH]4)n3)C2)nc1 257306963 SWSUUFSQQZBIKQ-GFCCVEGCSA-N 324.363 2.785 0 40 DFAB Cc1cn2c([C@@H]3CCCN3C(=O)Cc3ccccn3)cccc2n1 257252737 JVZBEBSOLYGILD-INIZCTEOSA-N 320.396 2.944 0 40 DFAB COc1cc(CN2CC[C@@H](c3nc(C)cn3C)C2)ccc1F 257260427 LCTZCKZUGKWMQU-CQSZACIVSA-N 303.381 2.866 0 40 DFAB COc1cccc2c(N3CC[C@@H](n4cncn4)C3)cc(C)nc12 364237775 PJZLEZOKTVKOBR-CYBMUJFWSA-N 309.373 2.595 0 40 DFAB CCOc1ccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 66639536 ZGKGTHUYGKVXOV-UHFFFAOYSA-N 320.418 2.850 0 40 DFAB COC[C@@H](C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 69898856 KGAOKVIVDQMDMI-GFCCVEGCSA-N 309.385 2.972 0 40 DFAB Cn1cc([C@H]2CCCN2Cc2nc(-c3ccsc3)no2)cn1 71799334 HAWBUELDKVJBRM-CYBMUJFWSA-N 315.402 2.869 0 40 DFAB Cc1ccsc1[C@@H](O)CNc1ncc(Br)cn1 1776001341 NUHANHMTZSQBLN-VIFPVBQESA-N 314.208 2.755 0 40 DFAB C[C@@H](NC[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 38082772 KRJYPPUWSZUZQI-HAWGNNMYSA-N 311.491 2.616 0 40 DFAB Cc1ccc(N2CCC[C@H](NC(=O)C3=CCCCO3)C2)cc1 74083948 MWHLBVHTYAWCRO-HNNXBMFYSA-N 300.402 2.774 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)no1 57461167 JRDPNMQHMGUKAG-ZDUSSCGKSA-N 322.796 2.813 0 40 DFAB CCCNC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 75105976 CNQJZYYIRXLFFD-CABCVRRESA-N 324.490 2.942 0 40 DFAB O=C(NCCc1n[nH]c(=S)n1C1CC1)C1CCCCCC1 78582410 IKNGMDZUDOTNRJ-UHFFFAOYSA-N 308.451 2.905 0 40 DFAB COc1cc(C(=O)Nc2scnc2C)cc(OC)c1OC 79108850 WDXFXZXMECSYRR-UHFFFAOYSA-N 308.359 2.730 0 40 DFAB C[C@@H](CNC(=O)c1c(F)cccc1Cl)CC1(C)OCCO1 96418595 YFJLEBNYCHVZME-SNVBAGLBSA-N 315.772 2.998 0 40 DFAB CC(C)OC(=O)/C(=C/c1ccncc1)NC(=O)c1ccccc1 2297475 XJECLPGWIXLHCJ-VBKFSLOCSA-N 310.353 2.804 0 40 DFAB Cc1ccc2[nH]cc(NC(=O)NCCc3ccncc3)c(=O)c2c1 13565945 LQLMUQUEJHELKV-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 5460812 FXTPKVMVXJGEKO-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB O=C1[C@H](n2cc(-c3ccccc3)nn2)CCN1Cc1ccccc1 2087076296 PNLDYRLIFCSVCX-GOSISDBHSA-N 318.380 2.919 0 40 DFAB CC1(C(=O)NCc2ccco2)COC(c2ccccc2)OC1 34365 LXJMDVJDXBKRTQ-UHFFFAOYSA-N 301.342 2.648 0 40 DFAB COc1ccc(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)cc1OC 11694720 UPVJMBDXWWBQRV-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB Cc1nc(C)c(C(=O)N2CC(n3cnc4ccccc43)C2)s1 1775974484 HMFXUFJRQHVHPY-UHFFFAOYSA-N 312.398 2.807 0 40 DFAB CC(=O)Oc1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 20095253 OUCBSMSNQWPDLJ-RAIGVLPGSA-N 301.342 2.538 0 40 DFAB COC(=O)c1cnc(NC(=O)/C=C/c2c(F)cccc2F)s1 40131989 YXRSUCRTDQKCTO-AATRIKPKSA-N 324.308 2.860 0 40 DFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)cn2C)cc1 30860063 DASXEWRECPUFGH-UHFFFAOYSA-N 319.792 2.698 0 40 DFAB COc1ccc(CNC(=O)N[C@@H](C)c2ccccn2)cc1OC 30996487 RWRABEIWHYOZGF-LBPRGKRZSA-N 315.373 2.659 0 40 DFAB Cc1cc(NC(=O)Nc2cccc(N3CCOC3=O)c2)no1 31662080 AOKNOGVRLHUTTD-UHFFFAOYSA-N 302.290 2.584 0 40 DFAB CC(=O)N(C)CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 31878524 ZOSHGENTERDNMS-UHFFFAOYSA-N 321.377 2.674 0 40 DFAB C[C@H](C(N)=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40549070 ZMZJLEWJIVBIKU-SECBINFHSA-N 307.781 2.534 0 40 DFAB CCOCCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 21185236 QPLIWBULGXKIQB-UHFFFAOYSA-N 319.380 2.785 0 40 DFAB C[C@H](CNC(=O)[C@@H](C)Sc1nccn1C)c1ccccc1 21780774 NOCWAGLYYJUHAQ-CHWSQXEVSA-N 303.431 2.821 0 40 DFAB COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2 554018 SEOQVRQVJFXJGL-UHFFFAOYSA-N 314.297 2.846 0 40 DFAB CC(=O)N[C@@H](C(=O)NCCc1ccc(Cl)cc1)C1CCCC1 53458599 AVZNEIDEURWNTA-MRXNPFEDSA-N 322.836 2.694 0 40 DFAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccncc1 22621834 SZBAVOWMYJFOTR-LBPRGKRZSA-N 309.369 2.921 0 40 DFAB CC(=O)Oc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1 250114 QACRMRPDBHIWPN-UHFFFAOYSA-N 319.386 2.914 0 40 DFAB CCSc1nnc(NC(=O)COc2cccc(F)c2)s1 2624493 IAWDBIMEHPIHKX-UHFFFAOYSA-N 313.379 2.807 0 40 DFAB CN(C)C(=S)SCC(=O)Nc1ccccc1OC(F)F 3352213 KVIZNGLWKPRUSI-UHFFFAOYSA-N 320.386 2.806 0 40 DFAB CSc1ccc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 3559320 RFXIQSAMAPXKPD-UHFFFAOYSA-N 318.398 2.642 0 40 DFAB N=c1nc2n(c3ccccc13)Cc1ccccc1C21CCOCC1 4160053 LWUYYHAFWGHUNR-UHFFFAOYSA-N 317.392 2.974 0 40 DFAB CC1(C)Cn2c(nc(=O)c3c2NCN(C2CCCCC2)C3)S1 4718128 KGYAGJVPJDEXFN-UHFFFAOYSA-N 320.462 2.645 0 40 DFAB O=C(O[C@@H]1CCOC1=O)c1cc2c(s1)-c1ccccc1OC2 5305176 XDYVDYMKIRBSSM-GFCCVEGCSA-N 316.334 2.780 0 40 DFAB COC(=O)C1=C(C)N(C)C(=O)C[C@H]1c1c(F)cccc1Cl 6667786 AXRRFKUAFQWHQM-SECBINFHSA-N 311.740 2.872 0 40 DFAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(F)cc3)n2)c1 6747756 GBYHEVWVOCWSQW-UHFFFAOYSA-N 323.327 2.932 0 40 DFAB O=C(COC(=O)c1cccc(F)c1)Nc1c(F)cccc1F 7514111 ZTQDSLRFBUKVJA-UHFFFAOYSA-N 309.243 2.899 0 40 DFAB CCC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7777552 ZXLJWUZEXZWHAH-NSHDSACASA-N 317.838 2.809 0 40 DFAB Cc1ccc2nc(NC(=O)CN3CCSC3=O)sc2c1 8748166 XGZATPVPLDDIPV-UHFFFAOYSA-N 307.400 2.712 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)cc1O 8851206 JLPYHZBDSUUZRW-NSHDSACASA-N 319.382 2.796 0 40 DFAB CCNc1nc(S[C@H]2C[C@H](C)OC2=O)nc2ccccc12 8942226 MAYZOMIIJJNLBC-CABZTGNLSA-N 303.387 2.858 0 40 DFAB CCSc1ncc(Cl)c(C(=O)Nc2nccs2)n1 9049314 SEDGONNMMGSMGS-UHFFFAOYSA-N 300.796 2.951 0 40 DFAB CN(CCNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 9156027 XJOUCFFVJYWKNY-UHFFFAOYSA-N 322.364 2.659 0 40 DFAB CCCn1c(SCc2coc(-c3ccccc3)n2)n[nH]c1=O 9536542 LRIBXWDIYHRUJT-UHFFFAOYSA-N 316.386 2.929 0 40 DFAB CC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)n1 10222027 ROBIYHSAXPSZBB-UHFFFAOYSA-N 323.396 2.892 0 40 DFAB O=C(/C=C/c1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12032155 FXDMXAOZVANHKY-YXWZHEERSA-N 320.392 2.507 0 40 DFAB CC(=O)c1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 12138968 ODPNZLMTXRXZDB-CKEIUWERSA-N 305.418 2.892 0 40 DFAB aggregator COc1ccc(-c2cc3cccn(CC(=O)N(C)C)c-3n2)cc1 12188793 MTSJIZSYLSEKBK-UHFFFAOYSA-N 309.369 2.752 0 40 DFAB COc1ccc(SCC(=O)NC(=O)c2cccs2)cc1 12979619 RFAMDTKQNWDCBF-UHFFFAOYSA-N 307.396 2.805 0 40 DFAB COc1ccccc1C(=O)NC[C@@H](c1ccsc1)N(C)C 13011204 RSAOZPGOLDPDIO-AWEZNQCLSA-N 304.415 2.789 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2cc(F)cc(F)c2)CC1 13265816 NJUCFLRWLMRCQV-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB Cc1ccc(OCCCC(=O)NCCCn2ccnc2)cc1 14398744 KLHDEVWYKZQNRC-UHFFFAOYSA-N 301.390 2.557 0 40 DFAB COCCCNC(=O)Cc1sc(C)nc1-c1cccs1 15840056 PAKPBOKRTKQKAG-UHFFFAOYSA-N 310.444 2.875 0 40 DFAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 16082892 VRCJPGMBINFMCH-STQMWFEESA-N 309.337 2.861 0 40 DFAB C[C@H]1CCCN(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)C1 20037479 QMNLVBXMRQIHAX-YJBOKZPZSA-N 316.445 2.827 0 40 DFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCn1ccnc1 20495013 DRKRCJLCCIIJSB-MRXNPFEDSA-N 315.417 2.864 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cn1 22416879 OSHJWUVTMHVDQX-MRXNPFEDSA-N 306.369 2.643 0 40 DFAB Cc1ccc(-n2cnnc2SCC(=O)NC2CC2)cc1Cl 23237906 GOBQKXVCXICTEH-UHFFFAOYSA-N 322.821 2.600 0 40 DFAB O=C(c1ccc2c(c1)CCC2)N1CCN(Cc2ccncc2)CC1 24572681 ZKPGOHPGNPLXSC-UHFFFAOYSA-N 321.424 2.528 0 40 DFAB CCn1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 28238708 YCUYVSIBCLFONN-UHFFFAOYSA-N 313.336 2.539 0 40 DFAB Cc1c(NC(=O)Cc2ccc(Br)cc2)cnn1C 28575074 GLMZNZIUULPPFV-UHFFFAOYSA-N 308.179 2.672 0 40 DFAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 29864886 MTHHXVWMEOOHQA-NSHDSACASA-N 308.809 2.998 0 40 DFAB CN(C(=O)CCNC(=O)c1ccccc1)[C@@H]1CCc2ccccc21 32905630 CPFPWKXYMIGPOZ-GOSISDBHSA-N 322.408 2.952 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 40160931 GOPLEWHOEKHRFW-VFNNOXKTSA-N 305.349 2.641 0 40 DFAB CN(C)Cc1ccc(CNC(=O)Cc2cccc(F)c2)cc1 40464711 SUEZWJIHPKMTGB-UHFFFAOYSA-N 300.377 2.746 0 40 DFAB O=C(NC[C@H]1CCOC1)c1cc(-c2cccc(Cl)c2)on1 41366141 JJKXBPSRXZXAKT-SNVBAGLBSA-N 306.749 2.761 0 40 DFAB COc1ccc([C@H](C)NC(=O)Nc2nnc(C)s2)c(OC)c1 43408217 FGHMIXILTRVGOK-QMMMGPOBSA-N 322.390 2.746 0 40 DFAB Cn1ccnc1[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccccc1 44890781 HIDNJOSJWKATGY-CQSZACIVSA-N 314.776 2.921 0 40 DFAB Cc1nc2c(Nc3cnn(Cc4ccc(F)cc4)c3)ncnc2[nH]1 46087659 AJRPIJACJLTAQJ-UHFFFAOYSA-N 323.335 2.789 0 40 DFAB Cn1c(C(=O)NCc2nc(C3CC3)no2)cc(Cl)c1Cl 48804629 UNHZHCHVSSOVAF-UHFFFAOYSA-N 315.160 2.522 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)o1 49392388 JMDXFTQXARGKMQ-NSAARLCDSA-N 316.401 2.530 0 40 DFAB Cc1cc(-c2csc(S(=O)(=O)N3CCCCC3)c2)on1 49548156 XDUNGAMPLOGINY-UHFFFAOYSA-N 312.416 2.886 0 40 DFAB C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)[C@H](C)CO1 50312146 XGNYAPXHUAHILQ-VXGBXAGGSA-N 319.792 2.775 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1F 51357319 LIOGSBKKHQUFHT-UHFFFAOYSA-N 301.317 2.954 0 40 DFAB COc1cc(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1C 54282829 MLRFVFQYMPCPCG-GFCCVEGCSA-N 322.405 2.533 0 40 DFAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C)n1 58203371 QEHPJGCTSMMVDA-UHFFFAOYSA-N 318.398 2.826 0 40 DFAB Cc1ccc(NC(=O)CCNc2cnc3ccccc3n2)nc1 58405438 PJFGCOVERISFJD-UHFFFAOYSA-N 307.357 2.774 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](N2CCCC2)C1 66173578 LBNIDVBDUUNNPS-HOTGVXAUSA-N 301.434 2.936 0 40 DFAB CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 69323746 BROCVFMPIFOQBX-IAGOWNOFSA-N 324.428 2.808 0 40 DFAB Cc1ccc(-c2nc(CN3CCn4c(C)nnc4C3)cs2)o1 69528310 GZUCNHAOASRPTI-UHFFFAOYSA-N 315.402 2.627 0 40 DFAB COc1cc(CN[C@H](C)[C@H](C)n2cc(C)cn2)cc2c1OCO2 69564549 OLHQYDPIIHARBR-OLZOCXBDSA-N 317.389 2.668 0 40 DFAB C[C@H](c1cccs1)N(C)S(=O)(=O)C[C@@H]1CCCCO1 69619285 MHDJAYCXVJHPTP-NEPJUHHUSA-N 303.449 2.640 0 40 DFAB CC(=O)Nc1cccc(OCCNc2cncc(Cl)n2)c1 69698224 MAGPHYXWNGIVOE-UHFFFAOYSA-N 306.753 2.579 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)o1 69776100 BBRMBWKUZRIDNK-LBPRGKRZSA-N 318.760 2.777 0 40 DFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCO[C@@H]2CCC[C@@H]21 71823518 RHKDNMSYMRNJRZ-DLBZAZTESA-N 316.376 2.938 0 40 DFAB CCC(CC)CN(CC)C(=O)CC/N=C(\O)c1ncccc1O 71905713 DXRHCXCQXKGGCH-UHFFFAOYSA-N 321.421 2.767 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)s1 72235296 BYWBGGLQRBBDSP-ZDUSSCGKSA-N 318.446 2.996 0 40 DFAB Cc1csc([C@@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1 72298726 JHYUOGBQNXKMBT-GFCCVEGCSA-N 321.402 2.533 0 40 DFAB Cc1nc(=O)c2c([nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccc(C)s1 72373016 WOCCFXDEZSUJFP-QWHCGFSZSA-N 315.442 2.580 0 40 DFAB Cc1ccc(S(=O)(=O)NCC[C@H](O)C(C)(C)C)cc1Cl 75157801 AMSWOWDWAWBVCY-ZDUSSCGKSA-N 319.854 2.724 0 40 DFAB O=C(NCc1csc2ccccc12)NC[C@@H]1CCC[C@@H]1O 78951748 CZKCQCKJFBSWHS-FZMZJTMJSA-N 304.415 2.862 0 40 DFAB CCn1nc(C)cc1C(=O)NC[C@H](C)Oc1ccccc1F 80752025 ZBEBKVKWFFKEDH-LBPRGKRZSA-N 305.353 2.548 0 40 DFAB CS(=O)(=O)Cc1nc(-c2cccc(OC(F)F)c2)cs1 83984769 BGBDOZVGDHMWJO-UHFFFAOYSA-N 319.354 2.956 0 40 DFAB CC[C@H](CNC(=O)N1CCC[C@@H](CO)C1)Oc1cccc(C)c1 84733633 CFBMPDDAXJABMQ-HZPDHXFCSA-N 320.433 2.566 0 40 DFAB O=C(Cc1cccnc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89762952 ZIDKLIFODRFJPA-MRXNPFEDSA-N 316.788 2.957 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCS1 89802121 GXNQEKIAYSZZJB-ZDUSSCGKSA-N 307.394 2.916 0 40 DFAB C[C@@]1(CNC(=O)NCCCCNc2ccccn2)CCCS1 89919375 OOFRKRCZGMGTHY-INIZCTEOSA-N 322.478 2.859 0 40 DFAB COCCC1(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1 95414590 XHDUXXGTEIIBFO-UHFFFAOYSA-N 302.330 2.924 0 40 DFAB O=C(Nc1cc(CSCCO)ccn1)c1ccc(Cl)o1 95448188 MFGNJQFYINGVMG-UHFFFAOYSA-N 312.778 2.806 0 40 DFAB Cc1ccnc([C@@H](NC(=O)c2ccc(Cl)cn2)C2CC2)n1 95450848 FKXVCZARPKRWSU-ZDUSSCGKSA-N 302.765 2.715 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCCSC1 95460430 HOYASHIDBWNKDV-STQMWFEESA-N 308.451 2.769 0 40 DFAB Cc1c(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cnn1C 95463567 ZCTURFZUAQMTOD-HZPDHXFCSA-N 307.344 2.627 0 40 DFAB CCOC(=O)c1coc(NCCCc2nc3ccccc3[nH]2)n1 96011549 BUOCDIFSEYGNBN-UHFFFAOYSA-N 314.345 2.772 0 40 DFAB O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1cccs1)C2 96058508 CNWMNNUUUBWMQO-STQMWFEESA-N 302.399 2.688 0 40 DFAB Cc1ccc(CN2CCc3cnn(C)c3[C@H]2COCC2CC2)o1 96068187 RCHIWKZGRISBJN-QGZVFWFLSA-N 315.417 2.848 0 40 DFAB O=C1CC[C@H]2[C@H](CCN2Cc2nccs2)N1c1ccccc1 96186415 OKFRSQZHHHRKDK-GJZGRUSLSA-N 313.426 2.913 0 40 DFAB Cc1nc(CN2CCc3ncnc(C4CC4)c3CC2)cs1 96255078 FYKXBYOGNRYOSU-UHFFFAOYSA-N 300.431 2.720 0 40 DFAB CSCCCNC(=O)Cc1ccc(Br)cc1 96412066 RAQPILOMTZZLNX-UHFFFAOYSA-N 302.237 2.861 0 40 DFAB CSC[C@H](C)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 96413146 IHIPDVICZXLXCL-QWHCGFSZSA-N 308.447 2.849 0 40 DFAB Cc1ccc([C@@H]2CCCCCN2C[C@H](O)Cn2cccn2)o1 96415017 JFWWXJKCNUQOMD-HOTGVXAUSA-N 303.406 2.763 0 40 DFAB C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOC[C@@H]1CCCO1 96421111 JLPBXLLGVLYDFU-BPQIPLTHSA-N 305.418 2.644 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 96436278 PSLAIEXWIUAXDB-KGLIPLIRSA-N 319.355 2.849 0 40 DFAB O=C(Cc1ccccc1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 96469209 OBBVVIILJCWKNB-GOEBONIOSA-N 315.369 2.642 0 40 DFAB CSc1cnn(-c2ccccc2)c1NC(=O)Cc1ccon1 96482583 NGGQYKLGVNQVJF-UHFFFAOYSA-N 314.370 2.763 0 40 DFAB Cc1ccc2c(n1)OCCN2C(=O)c1cc(-c2ccco2)on1 97046279 YKYPJNPVDWKPEN-UHFFFAOYSA-N 311.297 2.677 0 40 DFAB CCc1c/c(=N\C(=O)c2cnc(C)nc2C)c2ccccc2[nH]1 97147351 FFRQBBAXSOPHPV-UHFFFAOYSA-N 306.369 2.878 0 40 DFAB COc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)ccc1SC 97375134 VTWFZIXVIQVLPA-OLZOCXBDSA-N 308.447 2.551 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 103141633 YSXSBGVBEQGPRQ-MQIPJXDCSA-N 324.446 2.748 0 40 DFAB CC[C@H]1CN([C@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 106822131 VUDJXIMMKAAFMN-OCCSQVGLSA-N 317.389 2.917 0 40 DFAB O=C(NC1CCCC1)N1C[C@H]2CC[C@H]1[C@H]2Oc1cccnc1 107265899 PTOQOZNHJWHOJC-KCXAZCMYSA-N 301.390 2.575 0 40 DFAB C[C@H](O)[C@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 108351874 UEVXKHUFKCEPTJ-LPEHRKFASA-N 310.337 2.951 0 40 DFAB Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(C)CC1 121014202 LTTVYOUIGIRJDK-UHFFFAOYSA-N 301.415 2.506 0 40 DFAB Cc1nnc(C(=O)NCCc2nc(C(C)(C)C)cs2)s1 185421780 CYHDMIGWCUWINR-UHFFFAOYSA-N 310.448 2.573 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)n1 257211988 CBLBNBVXMGQYKJ-INIZCTEOSA-N 324.428 2.948 0 40 DFAB 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FOYXBZTVNBSXJO-AEFFLSMTSA-N 317.408 2.639 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(c2ncccc2F)CC1 1889085090 NYRIYIGHABDIJZ-UHFFFAOYSA-N 321.787 2.769 0 40 DFAB Cc1c(I)cccc1-c1cc(N)on1 1857794334 HEZQYRBBPAHJQB-UHFFFAOYSA-N 300.099 2.837 0 40 DFAB Cc1cc2cccc(C)c2nc1SCC(=O)N1CCOCC1 932887 SOFABHSHCDZEQX-UHFFFAOYSA-N 316.426 2.803 0 40 DFAB OCC[C@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 78365018 CFKRRTYNORAWOM-CQSZACIVSA-N 320.396 2.901 0 40 DFAB CC[C@@H](NC(=O)NCc1ccn(C(C)C)n1)c1ccncc1 78942401 XBIMMOVYUKKVAQ-OAHLLOKOSA-N 301.394 2.810 0 40 DFAB Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)n1 1358512 JWAQSTPGFSHWGX-MRXNPFEDSA-N 316.449 2.698 0 40 DFAB O=C(c1ccc(I)cc1)N1CCCCC1 3058133 AOUUEESJGDOGHY-UHFFFAOYSA-N 315.154 2.917 0 40 DFAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC 25310090 XYHXKYMYUGNEGR-KRWDZBQOSA-N 312.369 2.908 0 40 DFAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6314443 ZBXGGDHEGBLDFW-NSHDSACASA-N 309.362 2.874 0 40 DFAB CC(C)OC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 6563983 YIDGJFQHCBVOIA-UHFFFAOYSA-N 302.359 2.550 0 40 DFAB CC(C)c1ccc([C@@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 44264925 WFMALPNFFXDBQD-AWEZNQCLSA-N 314.341 2.953 0 40 DFAB CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 27064573 ZNHOUWMTCHNHHT-KRWDZBQOSA-N 310.397 2.930 0 40 DFAB CC[C@@H](C)NCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 8325951 STZOJPRDNQHUSH-CYBMUJFWSA-N 322.449 2.877 0 40 DFAB C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)NC1CCCC1 58015988 HYNRTZAIVDZYTE-JTQLQIEISA-N 309.797 2.909 0 40 DFAB Cc1ccc(-c2noc([C@H](C)N3CCO[C@H](C)C3)n2)cc1F 44897066 NESSOPRPMAHHQI-NEPJUHHUSA-N 305.353 2.966 0 40 DFAB Cc1cc(C(=O)CCC(=O)NC[C@H]2CCCC[C@H]2O)c(C)s1 72293723 ZSRAPHKLCJXEFZ-UKRRQHHQSA-N 323.458 2.995 0 40 DFAB Cc1noc(C)c1C[C@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72292317 OSNUBWCOWRBCFB-FZMZJTMJSA-N 316.405 2.599 0 40 DFAB CC[C@@H](C(=O)N[C@H](C)C(=O)NCc1ccco1)c1ccccc1 58292939 XIMXMDITHCSEQV-CZUORRHYSA-N 314.385 2.594 0 40 DFAB CSCc1nc2ccccc2n1CC(=O)NCc1ccco1 58281057 INOOUJXLWNSBJH-UHFFFAOYSA-N 315.398 2.809 0 40 DFAB Cc1nnc2ccc(N3CCC[C@H]3c3cccc(N(C)C)c3)nn12 84297112 SHBHOPYOMSPBBV-INIZCTEOSA-N 322.416 2.840 0 40 DFAB O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 28273918 ROCCZWAGNLMKTQ-CQSZACIVSA-N 318.417 2.857 0 40 DFAB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2ccsc2)CC1 28316837 GMUKRPCHWLRBFP-UHFFFAOYSA-N 323.849 2.698 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccccc1 10942689 FKKZXBHCIBIOLH-SJKOYZFVSA-N 312.321 2.641 0 40 DFAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10967674 YDNOHMQMAVTSFQ-NSHDSACASA-N 323.439 2.951 0 40 DFAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)NCc2ccco2)cc1C 22540581 CNMLSGRONRTDRC-AWEZNQCLSA-N 314.385 2.698 0 40 DFAB CC[C@@H](C(=O)O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 59217759 DRWHJIZRESUTTJ-ZDUSSCGKSA-N 316.323 2.691 0 40 DFAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)C1 20037475 QMNLVBXMRQIHAX-QAPCUYQASA-N 316.445 2.827 0 40 DFAB O=C(CCc1nc(-c2ccccc2)no1)OCc1ccccn1 36725760 GOMPTOQXXXGFAY-UHFFFAOYSA-N 309.325 2.808 0 40 DFAB COc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1F 20144595 GFZYFWRIYCXYFE-UHFFFAOYSA-N 319.288 2.550 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1c1cccs1 47029085 NWTMTBKQVHFWLM-CHWSQXEVSA-N 304.419 2.880 0 40 DFAB CN(C)C(=S)SCC(=O)Nc1ccc(F)c(F)c1F 3287585 OJMFMMOCRPZQLB-UHFFFAOYSA-N 308.350 2.622 0 40 DFAB C[C@H](C1CC1)N(C)C(=O)CCc1nc(-c2cccs2)no1 48326214 BNHIJFBLMUCPDB-SNVBAGLBSA-N 305.403 2.988 0 40 DFAB CC(=O)Nc1ccc(OC(=O)c2ccc([S@@](C)=O)cc2)cc1 48374698 RETFLKXUJGFYMT-QFIPXVFZSA-N 317.366 2.602 0 40 DFAB CC(C)(C)C(=O)NCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 95443774 NBVXWWAFTOVLMI-UHFFFAOYSA-N 324.331 2.601 0 40 DFAB CC(C)NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 49550669 DNVBEVWTHDYWSV-UHFFFAOYSA-N 321.380 2.588 0 40 DFAB C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(CC)cc1 4113698 FAYNQFLMDXBZCY-MQDFFIGUSA-N 314.385 2.996 0 40 DFAB COc1ccccc1NC(=O)COc1ccccc1NC(C)=O 6064214 XZSFQXBNPOFURF-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB CCn1nc(C(=O)Oc2ccc(C)cc2)c2ccccc2c1=O 6153473 RNIVIPQUXWBGRX-UHFFFAOYSA-N 308.337 2.944 0 40 DFAB COC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCc2ccccc21 6159723 UWYYJGGQSCUZOH-JKSUJKDBSA-N 318.417 2.951 0 40 DFAB COc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1OC 13955107 NFEBSGLCMOTAID-UHFFFAOYSA-N 315.325 2.963 0 40 DFAB CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)Cc1c(C)noc1C 65477166 VDGHFABRQPJZMA-OAHLLOKOSA-N 321.808 2.864 0 40 DFAB Cc1cc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc(C)n1 65417179 JBYAWLUSAGWMHX-CQSZACIVSA-N 312.421 2.753 0 40 DFAB O=C(c1ccc2nccn2c1)N1CCC[C@@H]1c1noc(C2CC2)n1 84494135 KJPXWJFRKAMPCD-CYBMUJFWSA-N 323.356 2.572 0 40 DFAB CC[C@H]1CCCCN1c1cc(-n2ncc(C(C)=O)c2C)ncn1 5427559 JWGYWKDOUZDIJV-AWEZNQCLSA-N 313.405 2.942 0 40 DFAB O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)ccc1=O 6759264 DODAXWSCOPWSEO-UHFFFAOYSA-N 309.300 2.624 0 40 DFAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc(F)ccc1F 67093790 NDJAGJDWAVRTSS-UHFFFAOYSA-N 324.356 2.526 0 40 DFAB O=C1[C@@H](Nc2ncccn2)CCN1c1ccc(C(F)(F)F)cc1 95396951 KKMFSUPDZNPFJH-LBPRGKRZSA-N 322.290 2.713 0 40 DFAB Cc1nnc(SCc2nnc(-c3ccco3)o2)n1C1CC1 7617477 ZHWLZZUCKFLHEB-UHFFFAOYSA-N 303.347 2.857 0 40 DFAB CC[C@@H](Nc1ccc2nnnn2n1)c1ccc2c(c1)CC(C)(C)O2 95395789 YCLDMVBEAPHHDJ-CYBMUJFWSA-N 324.388 2.796 0 40 DFAB C[C@@H](O)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 68741112 LDSNBGKPXCTQGW-LLVKDONJSA-N 317.772 2.682 0 40 DFAB C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C(F)(F)F)c1 69324458 DHMLTTMZWZPLLK-SECBINFHSA-N 313.283 2.507 0 40 DFAB CSc1nsc(NC(=O)N2CCc3ccccc3C2)n1 83993142 LUNBNYBOALSAGF-UHFFFAOYSA-N 306.416 2.850 0 40 DFAB COC(=O)[C@H](NC(=O)c1ccccc1)c1cc(F)ccc1F 69453805 CKSGGGYSMNMEJA-CQSZACIVSA-N 305.280 2.609 0 40 DFAB CCCCSC1=NC(C)=C(C(N)=O)[C@H](c2ccccc2)N1 408988471 IATMMQPCQATBQP-AWEZNQCLSA-N 303.431 2.980 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1 69924163 YLFAPWUECSDYEA-QGZVFWFLSA-N 311.385 2.699 0 40 DFAB CC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 97016477 NVJWGNWSAMPGGF-UWVGGRQHSA-N 307.868 2.877 0 40 DFAB CCOCC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081824 WUPOJSOKIYKREO-CYBMUJFWSA-N 317.307 2.642 0 40 DFAB O=C(O)C[C@H](NC(=O)/C=C/c1ccccn1)c1ccc(F)cc1 95960562 WYTDYJAZWSKHKS-HVHJFMEUSA-N 314.316 2.566 0 40 DFAB O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc2nccn2c1 75134678 VBFAZUJHNJHQFS-UHFFFAOYSA-N 303.325 2.977 0 40 DFAB C[C@H]1CN(C)C[C@@H](C)N1C(=O)Cc1ccc2c(c1)CCCC2 89930207 PYTFEOVDNZNYQF-GASCZTMLSA-N 300.446 2.659 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cn1 76068785 SPSAXYCRSDSPGO-CYBMUJFWSA-N 324.388 2.971 0 40 DFAB C[C@@H]1CCCCN1S(=O)(=O)NCc1ccc(Cl)cc1 27931658 DDNZTJBFSWHTQU-LLVKDONJSA-N 302.827 2.549 0 40 DFAB COc1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)c(OC)c1 62001616 GBTHJECCVJUPQA-MJGOQNOKSA-N 324.380 2.628 0 40 DFAB biogenic CCCOCc1c(I)cnn1CCC 408716148 JJYVHZHHPYBSOR-UHFFFAOYSA-N 308.163 2.824 0 40 DFAB CN(C)C[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)C1 129941938 SDKQGARFZLBWGQ-DYVFJYSZSA-N 319.424 2.870 0 40 DFAB CCOC(=O)CCSc1nc2sc(C)c(C)c2c(=O)[nH]1 36644064 WTWOZQLLWUDQLN-UHFFFAOYSA-N 312.416 2.647 0 40 DFAB Cc1nc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)c(C)o1 520217463 MXERKMMKMFQYDN-AVGNSLFASA-N 320.389 2.626 0 40 DFAB CC[C@@H](C)C[C@H](NC(=O)c1cccc2c1CCC2=O)C(=O)OC 3843064 YTCJREVRPOFTPT-ABAIWWIYSA-N 317.385 2.523 0 40 DFAB biogenic O=C(NCC1CCC1)NC[C@H](O)c1cccc(C(F)(F)F)c1 78663447 VVCIWMVWBCXQAT-ZDUSSCGKSA-N 316.323 2.838 0 40 DFAB CN(C)Cc1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1 39998448 VCUFIPLZEHKLSS-GOSISDBHSA-N 324.424 2.616 0 40 DFAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C=O)cn1 72214425 BYDXLNGDGBPWOZ-ZDUSSCGKSA-N 305.378 2.746 0 40 DFAB CC[C@H](C)NCc1ccc(OCc2nc(C)no2)c(OC)c1 35287211 JKAVZRHVIWVSIT-NSHDSACASA-N 305.378 2.854 0 40 DFAB O=C(CCCc1ccccc1)Nc1ccc2c(c1)C(=O)NCC2 70638239 OGSOABSORLCBKJ-UHFFFAOYSA-N 308.381 2.934 0 40 DFAB CCO[C@H](C)c1noc(CN(C)Cc2ccc(Cl)nc2)n1 75887268 HUZDGJFAHZHEKQ-SNVBAGLBSA-N 310.785 2.848 0 40 DFAB Cc1nnsc1-c1nn2c(-c3cccc(F)c3)nnc2s1 36366526 RPMILVLZAWTLMW-UHFFFAOYSA-N 318.362 2.819 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1F 30287855 UZJWZZPNCHNQKO-UHFFFAOYSA-N 309.362 2.655 0 40 DFAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccs1 71283199 ZJBHMTRJXINREY-SNVBAGLBSA-N 319.386 2.940 0 40 DFAB COc1cccc2c(=O)c(C(=O)N3CCc4ccccc43)c[nH]c12 39962855 AQLAEZOWXSRWIY-UHFFFAOYSA-N 320.348 2.740 0 40 DFAB CNCC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2)n1 72363319 IELCDYGUFNJSNU-MRXNPFEDSA-N 311.385 2.757 0 40 DFAB O=C(C[C@@H]1COCCN1)NCc1csc2ccc(Cl)cc12 72144331 BYVGNHVHZBZEKS-GFCCVEGCSA-N 324.833 2.549 0 40 DFAB O=C(c1ccncc1)N1CCC(Oc2ccccc2F)CC1 72351043 JQBXVNZQFPZANZ-UHFFFAOYSA-N 300.333 2.904 0 40 DFAB Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nonc1C 195573212 WQIYXZMKCFCYAJ-UHFFFAOYSA-N 321.280 2.506 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)Oc2ccc(Cl)cc2NC1=O 41550154 IMOJEIGYFQKNBL-ZDUSSCGKSA-N 323.761 2.525 0 40 DFAB Clc1cnc(N2CCC(Cn3ccnn3)CC2)c(Cl)c1 225822819 DBICXOUKNGTUOY-UHFFFAOYSA-N 312.204 2.897 0 40 DFAB CCC[C@H](C)NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736661 CCCAVUDQLLDOKC-NSHDSACASA-N 306.793 2.960 0 40 DFAB CC1(C)CN(c2nnc(-c3ccccc3)s2)CC[S@@]1=O 95410448 HWOZVEGTOBOVOQ-HXUWFJFHSA-N 307.444 2.552 0 40 DFAB CN1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccccc2)C1 230104519 SZIXFUQCSHXIBK-ROUUACIJSA-N 312.388 2.787 0 40 DFAB COCCCCN1CCN([C@H](C)c2ccccc2OC)CC1 95398357 HWQZUPDBDFGXNF-MRXNPFEDSA-N 306.450 2.800 0 40 DFAB Cc1nc(C2(NCCC(=O)Nc3ccccc3C)CCC2)no1 97102376 FTSIYZXHOGAQEH-UHFFFAOYSA-N 314.389 2.684 0 40 DFAB O=C(Cc1ccccc1C(F)(F)F)N1CC[C@H]2CC[C@@H](C1)N2 97228932 LYVZVYINENUUPK-OLZOCXBDSA-N 312.335 2.601 0 40 DFAB O=C(NCCc1cnn(Cc2ccccc2)c1)[C@H]1CC=CCC1 583650505 MARZOFICXDEVNM-SFHVURJKSA-N 309.413 2.946 0 40 DFAB O=C(c1ccon1)N1CC[C@@H](OCCCc2ccccc2)C1 96456442 JGFMELJSGIRTDZ-OAHLLOKOSA-N 300.358 2.539 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@@H]12 248132601 NOKAQFBQZOHOFQ-UXHICEINSA-N 307.441 2.929 0 40 DFAB Cc1nc([C@@H]2CCCNC2)ncc1C(=O)Nc1ccccc1F 257283082 OWSAGQIBJLDWJQ-GFCCVEGCSA-N 314.364 2.643 0 40 DFAB CCOc1ncccc1C(=O)N1CCC[C@@H]1c1cncc(C)n1 257231110 GFGRONAPYMFFQE-OAHLLOKOSA-N 312.373 2.556 0 40 DFAB CC(C)[C@@H]1NC(=O)N(Cc2coc(-c3cccc(F)c3)n2)C1=O 26778071 OTPZKYZCPXHONG-ZDUSSCGKSA-N 317.320 2.557 0 40 DFAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H]2[C@@H](C1)C2(Cl)Cl 253533639 SLPFOCNLECXFIJ-IIDWOEFGSA-N 310.177 2.548 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@H]2c2ccccc2)cc1 252516832 XDKJNKPOHFAFHI-BRWVUGGUSA-N 301.411 2.510 0 40 DFAB CC(=O)N1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 257248610 JEKWTMBFJDSYPK-LBPRGKRZSA-N 317.418 2.629 0 40 DFAB CN(C)c1cc([C@@H]2CCCN(Cc3nccs3)C2)ccn1 257293963 QRWMOUPNLNXQJQ-CQSZACIVSA-N 302.447 2.984 0 40 DFAB CCn1nnc(C)c1COc1ccc(-n2nc(C)cc2C)cc1 642517713 RTKVXHLBCRWSQX-UHFFFAOYSA-N 311.389 2.988 0 40 DFAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C)s2)c1 67010453 JKXCDPKCJSNPHR-LBPRGKRZSA-N 324.471 2.815 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCN1CC 69528726 BFIZLJUORIJFKW-HUUCEWRRSA-N 305.422 2.634 0 40 DFAB CCOCCNC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC 44967928 PLMPEFLVGPAYDA-OAHLLOKOSA-N 322.405 2.587 0 40 DFAB O=C(c1cc(Br)ccc1Cl)N1CCCNCC1 37287601 KCLKWLNCZCMEAP-UHFFFAOYSA-N 317.614 2.538 0 40 DFAB CCOc1c(Cl)cccc1NCc1c(N)ncnc1OC 92156549 PLGQDPQVDURGHZ-UHFFFAOYSA-N 308.769 2.732 0 40 DFAB O=C(c1c(F)cccc1F)N1CC(COc2cccnc2)C1 1775969222 COLCEUPXJNSNPN-UHFFFAOYSA-N 304.296 2.511 0 40 DFAB COc1ccc(CC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12441484 XGMQWKHFJJZONQ-GOSISDBHSA-N 311.381 2.838 0 40 DFAB Cc1sc2nc(S)n(Cc3ccccn3)c(=O)c2c1C 15936544 IMJOGNALLHYNPX-UHFFFAOYSA-N 303.412 2.807 0 40 DFAB Cn1nccc1CN1CCC[C@H](COc2ccc(F)cc2)C1 19658546 LNEXXEAINWZQOV-AWEZNQCLSA-N 303.381 2.850 0 40 DFAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)S1 1513043 JHQHHLYUGLVUFN-XYOKQWHBSA-N 315.306 2.823 0 40 DFAB COc1ccc(COC[C@H](O)CN[C@@H](C)CCC(C)C)cc1 10025461 IKHVAFPUDSRLBA-DOTOQJQBSA-N 309.450 2.987 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)OCO3)c1C 14216488 BSSCDQIANLQFJA-UHFFFAOYSA-N 315.325 2.825 0 40 DFAB O=C(NCCc1ccccn1)c1cc(Br)ccc1O 12526909 TWKKVAZFTMREMW-UHFFFAOYSA-N 321.174 2.522 0 40 DFAB Cc1n[nH]c(C)c1CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 131395941 FAFVTAPVTWDKTQ-ZIAGYGMSSA-N 322.453 2.952 0 40 DFAB O=C(NC1CC1)C1CCN(c2ccnc(C(F)(F)F)c2)CC1 2087121025 ZZGFXEHDXWKQMW-UHFFFAOYSA-N 313.323 2.595 0 40 DFAB C=CC(=O)Nc1cccc(C(=O)Nc2cc(C3CC3)nn2C)c1 1556708991 LLEYIPXFGXSBEU-UHFFFAOYSA-N 310.357 2.674 0 40 DFAB C[C@@H](C(=O)N[C@@H](c1cccs1)C1CCOCC1)n1cccn1 1565523703 XRVGGCWOABBETR-SWLSCSKDSA-N 319.430 2.790 0 40 DFAB O=C(NC[C@]1(O)CCCc2occc21)Nc1c(F)cccc1F 1565522896 VMPFWRIIPZBVBL-MRXNPFEDSA-N 322.311 2.903 0 40 DFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)C1CCOCC1 1775968701 RXUQOCJXORNEOD-GFCCVEGCSA-N 321.398 2.584 0 40 DFAB COc1ccc(OC)c2sc(N3CCC[C@H](CO)C3)nc12 872387340 JMODEHYEKACWMC-JTQLQIEISA-N 308.403 2.522 0 40 DFAB COC(=O)[C@](C)(O)C(OC)(c1ccccc1)c1ccccc1 38338031 PKGUFALWBGNSAH-KRWDZBQOSA-N 300.354 2.501 0 40 DFAB O=C(OCCc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1 32980111 VGIZTSQEVKVQSM-UHFFFAOYSA-N 323.348 2.740 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@H]1CCOC1 41333974 HSAGABUOUOIZMJ-TZMCWYRMSA-N 306.406 2.937 0 40 DFAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1 531068 IEBFGCRBCLGPEC-UHFFFAOYSA-N 323.356 2.891 0 40 DFAB c1cn(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cn1 22770324 KCMKLSSRKOOUFV-UHFFFAOYSA-N 307.353 2.891 0 40 DFAB O=C(NCc1cn2ccccc2n1)[C@@H]1C[C@H]1c1ccc(F)cc1 23754381 AQBZWUKLFHHAFA-JKSUJKDBSA-N 309.344 2.893 0 40 DFAB COC(=O)[C@@H](N)Cc1c(C)cc(OCc2ccccc2)cc1C 1857793425 FZYJIFPRSBOKJN-SFHVURJKSA-N 313.397 2.925 0 40 DFAB O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 225449 YHAUBUQTPJRKKV-QMMMGPOBSA-N 302.972 2.758 0 40 DFAB c1ccc(Cc2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)cc1 106108294 DNBUPWFBXSUZBB-CVEARBPZSA-N 313.401 2.804 0 40 DFAB C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)C 79483420 ALGDDXZTUKXCCN-LBPRGKRZSA-N 323.396 2.856 0 40 DFAB Cc1ccccc1C1(CNC(=O)c2ccccn2)CCOCC1 55760550 HVCPTWCJGJREGS-UHFFFAOYSA-N 310.397 2.868 0 40 DFAB O=C(COC(=O)c1ccccc1Cc1ccccc1)NC1CC1 3621858 MZMZZCVNLQBRBM-UHFFFAOYSA-N 309.365 2.713 0 40 DFAB CCCCN1C(=O)S[C@H](Cc2ccc3c(c2)OCO3)C1=O 6647756 QESHVSJVXZWIQT-CYBMUJFWSA-N 307.371 2.822 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1C 6946058 JCXWXBJOINQMEE-CQSZACIVSA-N 304.415 2.870 0 40 DFAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@@H]1CCCO1 7034446 FNICYJHRWLBGBX-AWEZNQCLSA-N 305.374 2.779 0 40 DFAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1F 7276153 NMHQNNIMXBBUQY-UHFFFAOYSA-N 303.289 2.858 0 40 DFAB CCOCCO[C@H](C)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 57489319 LLBALLFEGKDIEK-QWHCGFSZSA-N 313.825 2.829 0 40 DFAB COc1cccc([C@@H](O)COc2ccccc2-c2nnco2)c1 95439091 WVNBYQHBMPIGLR-HNNXBMFYSA-N 312.325 2.858 0 40 DFAB CC(=O)Nc1nc(C(=O)N(CC(C)C)CC(F)(F)F)cs1 58004140 JQSXKJPCQIJAIY-UHFFFAOYSA-N 323.340 2.762 0 40 DFAB CC(C)(C)c1nc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)no1 44949061 NTQITEGROCIJMQ-ZIAGYGMSSA-N 323.437 2.527 0 40 DFAB O=C(CCOC1CCOCC1)Nc1ccc(F)cc1NC1CC1 95427301 OAJLDNCAWZXMSU-UHFFFAOYSA-N 322.380 2.924 0 40 DFAB O=C(NCCNc1ncc(Cl)cc1Cl)C1=COCCC1 58323832 REWXPGGQCMCHLP-UHFFFAOYSA-N 316.188 2.611 0 40 DFAB O=C(Cn1ccccc1=O)NC(c1ccccc1)c1ccccc1 9364759 RFEVPPRXGTYUJJ-UHFFFAOYSA-N 318.376 2.754 0 40 DFAB COc1cccc(-n2ccnc2S[C@@H]2CCCCNC2=O)c1 10989788 XANLNZIWTZPFKZ-CQSZACIVSA-N 317.414 2.642 0 40 DFAB Cc1nc2sc3c(c2c2nc(CCC(=O)O)nn12)CCCC3 2329987 BMLCSFFXDDSYEA-UHFFFAOYSA-N 316.386 2.543 0 40 DFAB COC(=O)N1CCC[C@@H](N[C@H]2CCCc3nc(C)sc32)C1 95421610 SRMWOCBBSVETNV-YPMHNXCESA-N 309.435 2.649 0 40 DFAB CN1CCC(CNC(C2CC2)C2CC2)(N2CCCCC2)CC1 95423388 SOWHVXPTWFQXIM-UHFFFAOYSA-N 305.510 2.715 0 40 DFAB Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3O2)s1 45676984 JQYFAYBIJYCQHA-CYBMUJFWSA-N 302.399 2.859 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1 57355523 OUJXBQFBTNWHRX-FUHWJXTLSA-N 314.429 2.999 0 40 DFAB O[C@H](COCc1ccccc1F)CN1CCOc2ccccc21 60857043 AYXZVCAFSAOCSC-HNNXBMFYSA-N 317.360 2.602 0 40 DFAB CC(C)C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1 12784993 BSRLJXKKPBUGDQ-UHFFFAOYSA-N 324.424 2.707 0 40 DFAB Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1F 3352447 SIZYZYSVNXMAKF-UHFFFAOYSA-N 303.289 2.880 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)s1 3620034 FGAJLKQSYPJCSA-UHFFFAOYSA-N 319.338 2.581 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 13170236 BDQVRWJHEVGBIL-JTQLQIEISA-N 301.264 2.642 0 40 DFAB O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 24444890 QRSCPPGVTXAZLF-NSHDSACASA-N 315.760 2.727 0 40 DFAB Cn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)ccc21 22236166 SRZVVLWURUXDLB-UHFFFAOYSA-N 310.328 2.608 0 40 DFAB CSc1cnc2ccccc2c1N1CCC[C@@H](C(N)=O)C1 96011474 DUTYVWGWGGBYIX-LLVKDONJSA-N 301.415 2.658 0 40 DFAB C[C@@H]1C[C@H](CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)CCO1 95457812 SNQGKLCLXZXHRK-IJLUTSLNSA-N 313.344 2.663 0 40 DFAB COc1ccc(CCN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC 95400085 LHLDRDWZNZTXQN-XKQJLSEDSA-N 305.418 2.649 0 40 DFAB COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 14093065 MSGYPFPESFIVRF-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1Cl 14181928 KUNPDMKHOYIEQP-INIZCTEOSA-N 300.789 2.752 0 40 DFAB CCC(CC)NC[C@@H](O)COc1ccc(CCC(C)=O)cc1 6647080 AAYVURHRDVBGOW-QGZVFWFLSA-N 307.434 2.726 0 40 DFAB O=C(Oc1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1 5631886 DQSBWVAJHAUFDE-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1F 19736598 BURWVLSHSSBSHH-JTQLQIEISA-N 304.321 2.823 0 40 DFAB NC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 6759609 UDTKCDYJIRZZAO-GHMZBOCLSA-N 310.279 2.642 0 40 DFAB COC(=O)Cc1cc(O)nc(SC/C=C/c2ccccc2)n1 7029742 OHJOVOVJCZSBIW-VMPITWQZSA-N 316.382 2.703 0 40 DFAB CC(=O)N[C@H](CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 7987955 LFEYWRXNHIVAGV-MRXNPFEDSA-N 322.368 2.769 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccn1 8073238 VYJUXWJNNHWZQQ-UHFFFAOYSA-N 320.396 2.743 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1CCCC[C@H]1C 68962506 IVMFWZYIAGUCPE-CYBMUJFWSA-N 303.406 2.766 0 40 DFAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1C1OCCO1 69298896 OPPKUDAEXNBWFC-LBPRGKRZSA-N 307.415 2.604 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69437844 VDIPSJLTTBUTIV-CYBMUJFWSA-N 302.378 2.528 0 40 DFAB COc1ccccc1-c1cc(NC(=O)c2cccnc2OC)[nH]n1 71856808 FGVYZTSXEPHACQ-UHFFFAOYSA-N 324.340 2.741 0 40 DFAB COc1ccc(N(C(=O)c2ccc[nH]c2=O)[C@H](C)C2CC2)cc1 69561395 MGDUKOIUUPIVCP-GFCCVEGCSA-N 312.369 2.829 0 40 DFAB O=C(CCN1CCC[C@H]1CN1CCCCC1)Nc1ccccc1 69607837 ZDRSTGNXXFZVDW-SFHVURJKSA-N 315.461 2.966 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1Oc1ccccc1 69744519 WNMYCQQFVRJYJH-CZUORRHYSA-N 324.380 2.935 0 40 DFAB CC[C@@H]1CN(CCO[C@@H]2CCCC[C@@H]2C)CCN1CCOC 69840459 XXGCSLUPIVLFFE-RCCFBDPRSA-N 312.498 2.624 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](Nc1ncnc3ccccc13)CC2 69898183 BFLYAPMWOMPFDP-GFCCVEGCSA-N 308.389 2.772 0 40 DFAB COc1ccccc1NC(=O)CN1CCC[C@@H](C(F)(F)F)C1 8708299 XDTPBWBDGGHXSU-LLVKDONJSA-N 316.323 2.908 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)CCOCC(F)(F)F)on1 95954237 IPFZJHUUSPXSTC-SNVBAGLBSA-N 306.284 2.616 0 40 DFAB NC(=O)[C@H]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 95982243 GSHJYUKCGQRALL-VIFPVBQESA-N 306.715 2.666 0 40 DFAB CC[C@H](C(=O)N(C)c1ccc(F)c(Cl)c1)N1CCCC1=O 95990237 NYAXFLQRHIJOCB-CYBMUJFWSA-N 312.772 2.843 0 40 DFAB CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 97054870 UKURWWJTIGOYHO-RYUDHWBXSA-N 312.435 2.703 0 40 DFAB Cc1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)nc(O)n1 97082745 IGZIIGWQNFZTSR-UHFFFAOYSA-N 316.748 2.807 0 40 DFAB Cn1cccc1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 72288771 DHDRQACCNACPSQ-ZDUSSCGKSA-N 313.184 2.795 0 40 DFAB COC(=O)c1cc(F)cc(OC)c1NC(=O)/C=C/c1ccco1 72292782 KHGOQTCIDSOZLJ-AATRIKPKSA-N 319.288 2.866 0 40 DFAB O=C(O)CCc1ccc(OCc2ncn(-c3ccccc3)n2)cc1 97166014 UHVAXPKQHKUJCS-UHFFFAOYSA-N 323.352 2.864 0 40 DFAB CC[C@H]1CCC[C@H](CN2CCC(C(=O)N3CCOCC3)CC2)C1 97108426 VPKAXKRUCRPZQK-IRXDYDNUSA-N 322.493 2.774 0 40 DFAB CCN(C)C[C@H]1CCN(c2nc3cc(C)nn3c3ccccc23)C1 72302154 WCNAAYJHBIVUPG-OAHLLOKOSA-N 323.444 2.969 0 40 DFAB COc1cc(C(=O)N2CCC(O)CC2)ccc1OCCC(C)C 72656979 QRHNUEDOPWKKMR-UHFFFAOYSA-N 321.417 2.717 0 40 DFAB O=C(CCCc1cccs1)NCCCOC[C@@H]1CCOC1 97596547 ATHMHIKPWDMYGG-AWEZNQCLSA-N 311.447 2.630 0 40 DFAB CN(C)c1nc2cc(N[C@@H](C(N)=O)c3ccccc3)ccc2o1 89326938 AORLEDVNLAFIBO-OAHLLOKOSA-N 310.357 2.532 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1csc(C2CC2)n1 84736411 NAGSSPVGADPGBU-WFASDCNBSA-N 307.463 2.757 0 40 DFAB COc1ccsc1C(=O)NCCOc1ccc(Cl)cn1 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Cc1cccc(C[C@@H](CNC(=O)c2cccs2)C(=O)O)c1 195542129 BBQOHMDDDRCBHY-ZDUSSCGKSA-N 303.383 2.730 0 40 DFAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 42646797 UJRLGRUPBIXWCT-LBPRGKRZSA-N 320.389 2.686 0 40 DFAB CCOC(=O)CCC(=O)Nc1cccc2ccc(OC)nc12 49027916 RSKRSROQTMBQIZ-UHFFFAOYSA-N 302.330 2.525 0 40 DFAB Nc1ncccc1-c1nc(-c2ccccc2OC(F)F)no1 89263319 OJGHQTCHGVEJEZ-UHFFFAOYSA-N 304.256 2.982 0 40 DFAB C1CC[C@@H](OCCN2CCC(c3noc(C4CC4)n3)CC2)OC1 225532127 UEBMMJSCSVZQGX-OAHLLOKOSA-N 321.421 2.670 0 40 DFAB NCC1(C(F)(F)F)CCN(C(=O)OCc2ccccc2)CC1 199784427 RKKJNWXTHDPWBU-UHFFFAOYSA-N 316.323 2.926 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 96426294 PZJKDLHBOQQTMX-ZWKOTPCHSA-N 318.380 2.862 0 40 DFAB Cc1nn(C)c2sc(C(=O)OC3([C@@H]4CCOC4)CC3)cc12 96442326 ZXPKTRCNVNJGKN-SNVBAGLBSA-N 306.387 2.669 0 40 DFAB C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(OC(C)(C)C)cc1 96435261 MVJWWLQKOPKHEG-LBPRGKRZSA-N 317.393 2.666 0 40 DFAB Cc1cccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)n1 96158250 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COc1ccc(CC(=O)c2cc(OC)c3c(c2)OCCO3)cc1 96325938 PAQUIKATTXEVHL-UHFFFAOYSA-N 314.337 2.900 0 40 DFAB Cc1ncsc1CNC(=O)N1CCN(c2cccs2)CC1 95411250 ZLXLIMVOIBWKTQ-UHFFFAOYSA-N 322.459 2.545 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@@H]12 248132604 NOKAQFBQZOHOFQ-WOJBJXKFSA-N 307.441 2.929 0 40 DFAB CN(Cc1ccsc1)C(=O)Nc1cccnc1-n1cccn1 48196708 BVJMOEHJDMLJOI-UHFFFAOYSA-N 313.386 2.993 0 40 DFAB O=C(CCn1cccn1)N[C@H]1CCSc2ccc(F)cc21 48739863 POOZNOZFPKDJTM-ZDUSSCGKSA-N 305.378 2.766 0 40 DFAB CCN(CC)c1ccc(CNC(=O)Cc2cccs2)cn1 57521174 WBLSNJSTNLRPMU-UHFFFAOYSA-N 303.431 2.848 0 40 DFAB O=C(Cc1ccn[nH]1)Nc1ccc(Cl)c(OC(F)F)c1 97079997 CSTJFLKYQJXVCO-UHFFFAOYSA-N 301.680 2.846 0 40 DFAB Cc1ccc(C[C@@H](CC(=O)NCc2ccccc2)C(=O)O)cc1 5185659 FHZWZRVIFQBGTE-KRWDZBQOSA-N 311.381 2.945 0 40 DFAB O=C1[C@H]2CCCN2C(=O)c2ccccc2N1Cc1ccccc1F 12146204 IGVSCCUYXCYFLF-QGZVFWFLSA-N 324.355 2.977 0 40 DFAB CCc1cc(NCCCOC)n2nc3nc(C)cc(C)c3c2n1 12186251 JYNOMUHHJOLZCQ-UHFFFAOYSA-N 313.405 2.905 0 40 DFAB COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCCC2)c1 14152834 KUWOMHSYLXTQLH-UHFFFAOYSA-N 310.781 2.551 0 40 DFAB S=C(Nc1ccc2c(c1)OCCO2)N[C@H]1C[C@H]2CC[C@@H]1C2 16191042 UEFKYSQXRIZFRP-LOWVWBTDSA-N 304.415 2.933 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)n1)c1cccc(Cl)c1 207979675 UBGLPVQNFVXFRH-UHFFFAOYSA-N 316.792 2.660 0 40 DFAB O=C(COC(=O)c1cccnc1Cl)NC1CCCCCC1 5505271 PMXZZTWHPLKPDJ-UHFFFAOYSA-N 310.781 2.731 0 40 DFAB C[C@H](NC[C@@H](O)c1ccccc1)c1ccc(-n2cncn2)cc1 25367484 IWBNVORELAZQED-KBXCAEBGSA-N 308.385 2.652 0 40 DFAB CCn1ncc(N[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1C 2037963981 PDAKDFFCUXMKIB-CGTJXYLNSA-N 315.417 2.984 0 40 DFAB CCCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 3911647 TYOXGGZCUSYHAC-UHFFFAOYSA-N 300.402 2.994 0 40 DFAB Nc1c(C(=O)CCC(=O)O)oc2ccc(Br)cc12 4269292 OYVOSMIYRIFHGB-UHFFFAOYSA-N 312.119 2.825 0 40 DFAB COC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(F)c2)cs1 12440397 QJCSWPUTPRTJSW-UHFFFAOYSA-N 323.349 2.950 0 40 DFAB CCc1nccn1CC1CN(c2ccc(Br)cn2)C1 2086861093 HBFVQPMCBJBMGD-UHFFFAOYSA-N 321.222 2.739 0 40 DFAB O=C1O[C@@H](N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 20169269 MIMOZOYVYMDVDU-QGZVFWFLSA-N 312.344 2.817 0 40 DFAB CCOC(=O)c1csc(NC(=O)Cc2ccccc2F)n1 40457482 ATMSMHRWBUZWMM-UHFFFAOYSA-N 308.334 2.640 0 40 DFAB Cc1nc(-c2ccc(Oc3cc(Cl)nc(N)n3)cc2)no1 40490501 QQNBSRUCZQJSEA-UHFFFAOYSA-N 303.709 2.863 0 40 DFAB COC(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 40548529 NPZGVWJJLKCPAV-UHFFFAOYSA-N 324.336 2.610 0 40 DFAB COc1ccccc1NC(=O)NCc1cccc(NC(C)=O)c1 40525334 JAMKNERPUDFZAO-UHFFFAOYSA-N 313.357 2.975 0 40 DFAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccco1 51353998 VZDNJUCJEITHNF-UHFFFAOYSA-N 311.696 2.545 0 40 DFAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 241168 NPQHSWOOTQLYSI-LLVKDONJSA-N 318.760 2.602 0 40 DFAB Cc1cnc(C(=O)NCc2ccccc2CN2CCCCC2)cn1 32778084 POVLMAPWBJYVQO-UHFFFAOYSA-N 324.428 2.701 0 40 DFAB CCCCc1ccc(NC(=O)c2ccc(S(N)(=O)=O)o2)cc1 32912168 MZDREMUEFABDRR-UHFFFAOYSA-N 322.386 2.522 0 40 DFAB CN1CCN(CCCNC(=O)C(C)(C)C)[C@@H](c2ccccc2)C1 33135974 CGVBQWVBNRHFNF-QGZVFWFLSA-N 317.477 2.528 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc(Cl)cn1C 22003068 DOVVWBSVOVENGX-ZYHUDNBSSA-N 312.797 2.530 0 40 DFAB O=C1NC(=O)[C@@]23CC[C@]12C1c2ccccc2C3c2ccccc21 103132200 JXGNZOPCKCUWKV-PNGKTBNWSA-N 301.345 2.700 0 40 DFAB CC[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 22414632 QMHHAZWBOUUOMR-CQSZACIVSA-N 302.418 2.588 0 40 DFAB CCC1=NN(C(=O)c2cccc(O)c2C)[C@@](O)(C(F)(F)F)C1 269934 QDUCVOGACGOPLH-ZDUSSCGKSA-N 316.279 2.563 0 40 DFAB O=C(Nc1nncs1)N1CCC(OCc2ccccc2)CC1 43127789 BHFZIZGTHKGWGR-UHFFFAOYSA-N 318.402 2.751 0 40 DFAB Cc1nnsc1S(=O)(=O)c1cccc(C(F)(F)F)c1 1396451 OIEPOMOLLIHYAI-UHFFFAOYSA-N 308.306 2.698 0 40 DFAB Cc1cnc(C(=O)NCCCCOc2ccc(F)cc2)cn1 25340681 WPNNSIUTVJBWLF-UHFFFAOYSA-N 303.337 2.513 0 40 DFAB COCc1ccccc1CNC(=O)c1ccc(OC)c(OC)c1 25304275 YAXUJAQQEVJBHS-UHFFFAOYSA-N 315.369 2.780 0 40 DFAB COc1cccc(CNC(=O)Cc2ccc(OC)cc2OC)c1 25422950 VTRYWCDPVCPIBV-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1 4348120 UMRVKIYDXPZLHO-UHFFFAOYSA-N 303.383 2.798 0 40 DFAB Cc1ccc(C[C@H](CC(=O)O)C(=O)NCc2ccccc2)cc1 4713964 NFAMWUCZFZSGMK-QGZVFWFLSA-N 311.381 2.945 0 40 DFAB CC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2 6051897 NQJQZYTUMQUMMP-UHFFFAOYSA-N 313.309 2.635 0 40 DFAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccs1 6817650 PYDIGVKVHNDDGD-ZDUSSCGKSA-N 318.402 2.972 0 40 DFAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 7533652 OBTXUAVZODDJTK-VIFPVBQESA-N 319.338 2.661 0 40 DFAB C[C@@H]1CCCC[C@@H]1CN1CCC([C@H](O)c2nccn2C)CC1 97108454 FXJNKQRFNIKYOJ-OIISXLGYSA-N 305.466 2.992 0 40 DFAB CC1CCN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 95440873 HVAQPVKXCBQWDL-CQSZACIVSA-N 313.405 2.770 0 40 DFAB Cc1nc2ncnn2c(N[C@H]2CCO[C@@H](CC(C)C)C2)c1C 95464293 CARNIPUENIXUBG-KBPBESRZSA-N 303.410 2.747 0 40 DFAB CNC(=O)c1ccc(OCC(=O)c2cc(C)ccc2OC)cc1 58295200 HTOKVBMRRHYFRH-UHFFFAOYSA-N 313.353 2.625 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1C 58279694 HZNFRPBTCRUPSZ-GFCCVEGCSA-N 319.449 2.684 0 40 DFAB C(=C/c1nc2ccccc2o1)\c1cnc(N2CCOCC2)nc1 44977980 TXTLWZJYRBFCMV-AATRIKPKSA-N 308.341 2.625 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)NCCc1ccccc1F 12540352 KVPAJVAZZQZTDO-UHFFFAOYSA-N 311.360 2.994 0 40 DFAB CCc1n[nH]c([S@](=O)Cc2ccccc2C(F)(F)F)n1 95409912 IROQXFUJPXCIIR-FQEVSTJZSA-N 303.309 2.694 0 40 DFAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC(c2nnc3ccccn23)CC1 102831208 VMBXCQZBWNJJOV-FVQBIDKESA-N 324.428 2.872 0 40 DFAB COc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1 11608428 VORRDYTUDPMNDR-UHFFFAOYSA-N 308.341 2.587 0 40 DFAB CCCCCNC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 29693516 FDIPKIBSWNSKGZ-RYUDHWBXSA-N 319.405 2.513 0 40 DFAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCCC1 3276633 HYALMYXWKOEEQX-UHFFFAOYSA-N 312.410 2.514 0 40 DFAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1cn2ccsc2n1 48236249 TWUFBTITDPQEPS-JSGCOSHPSA-N 321.446 2.650 0 40 DFAB CC(C)Oc1ncccc1CNC(=O)COc1ccccc1 48303662 PPLQFNNZJLRSNS-UHFFFAOYSA-N 300.358 2.564 0 40 DFAB COc1ccc(C(C)=O)c(OCC(=O)NCc2ccccc2)c1 3453230 AXVVWNSWZVBIGA-UHFFFAOYSA-N 313.353 2.593 0 40 DFAB COc1cccc(CN(C)S(=O)(=O)c2ccccc2)c1OC 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C/C=C/c1ccc(OCc2nc(CCOC)no2)c(OC)c1 71890299 DGZGFOVRKLCHSE-SNAWJCMRSA-N 304.346 2.879 0 40 DFAB CN(C)C1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 71821507 SCVJGRYTXXLIGC-UHFFFAOYSA-N 318.465 2.682 0 40 DFAB O=C(O)c1ccc(NCCNc2ccc(C(=O)O)cc2)cc1 65740949 PLRTXWVDXUGELT-UHFFFAOYSA-N 300.314 2.607 0 40 DFAB in-vitro COc1ccc(Cl)cc1CS(=O)(=O)CC1CCOCC1 71912100 GGSYEJDJEMNNLS-UHFFFAOYSA-N 318.822 2.690 0 40 DFAB COc1ccc(N(C(=O)c2ccc[nH]c2=O)[C@@H](C)C2CC2)cc1 69561393 MGDUKOIUUPIVCP-LBPRGKRZSA-N 312.369 2.829 0 40 DFAB CC(C)Oc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1 69630810 AXAANZJKHDCXRV-KRWDZBQOSA-N 314.433 2.978 0 40 DFAB CCc1nsc(Nc2cnn(CCN3CCCCC3)c2)n1 92978309 BLRUDNURBQWZKW-UHFFFAOYSA-N 306.439 2.527 0 40 DFAB CN(C(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C)c1ccccc1OC(F)F 71283297 YXHIKZSSDNCMID-QWRGUYRKSA-N 313.300 2.608 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cn1 72330229 ZQGDMDUWYAEKKG-UHFFFAOYSA-N 302.305 2.633 0 40 DFAB CCN(C(=O)CCS(=O)(=O)CC(C)C)C1CCCCC1 97403268 NKBXMVLYSVBCMR-UHFFFAOYSA-N 303.468 2.629 0 40 DFAB CO[C@@H]1CCCC[C@H]1OC(=O)c1cnc(-c2cnn(C)c2)s1 95395503 HIDZWQCUGSRASA-VXGBXAGGSA-N 321.402 2.658 0 40 DFAB COCc1ccccc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 74142847 XGWVCGFIBLCPGN-UHFFFAOYSA-N 308.341 2.870 0 40 DFAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc2sccc2c1 95966068 URRIJKXZTYZCDE-GFCCVEGCSA-N 320.439 2.505 0 40 DFAB Cc1nn(C)cc1CCC(=O)NC[C@@H](c1cccnc1)C(C)C 75107328 BSDJMPXOQZLNIA-QGZVFWFLSA-N 314.433 2.612 0 40 DFAB O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)c1ccccc1 75136923 FYYKMFVYYUEHIB-NRFANRHFSA-N 321.829 2.807 0 40 DFAB Cc1cn2c(n1)[C@@H](CNCc1nc3ccccc3n1C)CCC2 89702157 RKMKYTOFNRVLDT-CQSZACIVSA-N 309.417 2.745 0 40 DFAB CCO[C@@H](C)c1noc(COc2ccccc2-c2nc[nH]n2)n1 89985002 GSXOIGBLBCDUSW-JTQLQIEISA-N 315.333 2.531 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)no1 76043467 MOPJCNBFWDPVBO-GXTWGEPZSA-N 315.398 2.759 0 40 DFAB CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 26184250 DWAHMMUXLPWAPS-HNNXBMFYSA-N 313.353 2.511 0 40 DFAB C[C@H](O)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 68741109 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O=C(O)CCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 225483705 OYVOPTYKTQLQEK-ZJUUUORDSA-N 313.756 2.954 0 40 DFAB Cc1cccc(N2C[C@H](c3noc(-c4ccccn4)n3)CC2=O)c1 49060339 CENHASYQQSVJIQ-CYBMUJFWSA-N 320.352 2.961 0 40 DFAB CCc1nc(CNc2nnnn2-c2ccc(C)cc2)cs1 195575209 FSZCOSVNDJZYLH-UHFFFAOYSA-N 300.391 2.602 0 40 DFAB CCc1nnc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)s1 226748827 QLTLFVBDIYBPLZ-NSHDSACASA-N 319.386 2.688 0 40 DFAB C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)C(C)(C)C 96477224 OWLNUFRQFRAEII-IUODEOHRSA-N 306.406 2.910 0 40 DFAB O=C(N[C@H]1COc2ccccc21)N1CCC(OCC2CC2)CC1 96439615 ZAXJNOZUQDWSKR-INIZCTEOSA-N 316.401 2.721 0 40 DFAB O=C([C@@H]1CCCO1)N1CCC2(CC1)C[C@@H](c1ccccc1)CO2 96220260 KJDLDIXCABUABT-SJORKVTESA-N 315.413 2.731 0 40 DFAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-n2nc(C)cc2C)nc1 97148381 JVWGBMLMHHOZPM-HUUCEWRRSA-N 315.373 2.608 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)[C@@H]2CCOC2)c1C 96428212 XFZSMBCWTLCZQZ-GDBMZVCRSA-N 309.431 2.559 0 40 DFAB COC[C@H]1CC2(CCN(CCc3ccccc3)CC2)CN1C 96207513 IUWBHPGGRNFKEC-GOSISDBHSA-N 302.462 2.662 0 40 DFAB CC(=O)N1C[C@@H](C)CN(C(=O)c2cscn2)c2ccccc21 96432632 WUUZEVZVIWFLOW-LLVKDONJSA-N 315.398 2.793 0 40 DFAB c1ccc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cc1 96219805 KLUPRBRGBOTZPT-QGZVFWFLSA-N 324.428 2.650 0 40 DFAB Cc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)o1 97379072 NAQWNKLQQNPWLO-INIZCTEOSA-N 307.415 2.772 0 40 DFAB CCN(C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(F)c2)C1 95407639 MLHKPVRWKPUVMB-GOEBONIOSA-N 321.440 2.740 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)[C@H]1CC1(Cl)Cl 96431668 HCMJGABDRWYLNH-NXEZZACHSA-N 318.200 2.773 0 40 DFAB C[C@H](CO)[C@H](C)NC(=O)Nc1cnn(-c2ccccc2Cl)c1 96422039 MNIXENUEPHEWPU-MNOVXSKESA-N 322.796 2.664 0 40 DFAB Cc1cc(Br)cc2c3nnc(S)nc3n(C)c12 96319345 FDJQFTIIRRACDE-UHFFFAOYSA-N 309.192 2.876 0 40 DFAB Cc1cccc(CN2CC3(C[C@@H](OCC4CC4)CS3)C2)n1 247877219 PGDIIUFJYCNGJY-MRXNPFEDSA-N 304.459 2.877 0 40 DFAB C[C@]12CCCN(C(=O)COc3ccccc3F)[C@H]1CCCCN2 257263960 LSGHZBWFJZMFBQ-WMZOPIPTSA-N 320.408 2.728 0 40 DFAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccc3oc(C)cc3c2)[C@H]1O 257200515 ADQSFEXADKIXQP-DJIMGWMZSA-N 317.385 2.790 0 40 DFAB O=C(NCC1CCOCC1)c1ccc(Cc2ccccc2)nc1 257291808 QIRMMQGUAVPWEL-UHFFFAOYSA-N 310.397 2.829 0 40 DFAB Cc1cncc([C@H]2CCCN2C(=O)c2snnc2C(C)C)n1 257283556 OYVBSSARZQERMC-GFCCVEGCSA-N 317.418 2.737 0 40 DFAB CN1C[C@H](COCC2CC2)C2(CCN(C(=O)C(C)(C)C)CC2)C1 585104109 VXXYQDPIRLUUFH-MRXNPFEDSA-N 322.493 2.630 0 40 DFAB Cc1cnc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cn1 31396025 TWXIUVQSWWBQSH-GFCCVEGCSA-N 324.384 2.625 0 40 DFAB C[S@](=O)CCCNC(=O)Nc1ccccc1C(F)(F)F 72290458 AROBICNBJQDCMM-HXUWFJFHSA-N 308.325 2.596 0 40 DFAB Cc1nc(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)cs1 45325610 FIDHDMFAGRSCRG-FZMZJTMJSA-N 311.451 2.846 0 40 DFAB Cc1cccnc1OCC1CCN(C(=O)c2cccnc2)CC1 1775995861 LKPJCIBKUZWDIN-UHFFFAOYSA-N 311.385 2.716 0 40 DFAB CCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 50995993 AKWVIGGHEGNIIV-ZBFHGGJFSA-N 324.852 2.612 0 40 DFAB O=c1c2sccc2ncn1Cc1cnn(-c2ccccc2)c1 78434326 KXDAWMCNOADQAO-UHFFFAOYSA-N 308.366 2.692 0 40 DFAB O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCSCC1 60061357 LJOCIHMJXIPMTO-HNNXBMFYSA-N 322.449 2.613 0 40 DFAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1CO 74907519 RNDQKTVQKKSALZ-CVEARBPZSA-N 308.397 2.559 0 40 DFAB CC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 79026480 KIDGBNMMIFKYPH-MRXNPFEDSA-N 318.465 2.644 0 40 DFAB Cc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1F 76057952 RCDCBDLDGOTEOA-DYVFJYSZSA-N 304.409 2.871 0 40 DFAB COc1cccc([C@H](O)C(=O)NC[C@@H](C)c2ccsc2)c1 95979449 BOSDMTJXJDYDGD-ABAIWWIYSA-N 305.399 2.710 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](Oc2nccs2)C1 585320285 UKRGBXSWRRESIJ-JSGCOSHPSA-N 318.398 2.590 0 40 DFAB COc1c(C(=O)N[C@H]2CCCOC2)cnc2cc(Cl)ccc12 12143757 ZNFLMXYCSMYKDM-NSHDSACASA-N 320.776 2.806 0 40 DFAB COc1ccccc1Nc1nc(=O)c(Cc2ccccc2)n[nH]1 12514338 IYWHHECXTOLDFX-UHFFFAOYSA-N 308.341 2.508 0 40 DFAB Fc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 19293896 QRLPSYUQCRKAFM-QGZVFWFLSA-N 312.392 2.599 0 40 DFAB O=C(C1CCOCC1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19346878 ZFRBUZUSLKRCFB-HNNXBMFYSA-N 313.401 2.696 0 40 DFAB O=C(NCCCc1ccccc1)N[C@H]1CCN(c2ccccn2)C1 162772051 CYGCKGYLJOOQMI-KRWDZBQOSA-N 324.428 2.592 0 40 DFAB Cc1cccnc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 643914977 ZZLWYDPMBOXDQA-GOSISDBHSA-N 316.376 2.545 0 40 DFAB Cc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)cc1 1204174957 IDDGQWPGSZFXNY-UHFFFAOYSA-N 301.365 2.968 0 40 DFAB COc1ccc2[nH]cc(C(=O)N3CC[C@H](c4ncc(C)[nH]4)C3)c2c1 1848352239 NJCCEXXCKLAHGJ-LBPRGKRZSA-N 324.384 2.838 0 40 DFAB O=C(Nc1ncccc1O)c1cccc(OC[C@H]2CCCO2)c1 22610387 YZRDHZMFCGBADE-CQSZACIVSA-N 314.341 2.597 0 40 DFAB CN1CCO[C@@]2(CCCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055785439 XBLLXUNOTLYZQK-JFIYKMOQSA-N 308.466 2.526 0 40 DFAB COc1ccc(CNC(=O)Cc2cc(-c3ccco3)on2)cc1 23127227 HKHJQXSJCXSYCK-UHFFFAOYSA-N 312.325 2.802 0 40 DFAB Cc1cc(C=O)c(C)n1NC(=O)COc1cccc2cccnc12 13633501 MCQDEBIVNNLANU-UHFFFAOYSA-N 323.352 2.615 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NCC1CCC(C(=O)O)CC1 6760728 FMHWRYNCZBTGED-UHFFFAOYSA-N 314.385 2.718 0 40 DFAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cccs1 40474236 ZESXMBNOQPLCBG-UHFFFAOYSA-N 304.371 2.818 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)c1sc2ccccc2c1C 32778002 CSFZPXAXRHUSHV-NSHDSACASA-N 304.415 2.854 0 40 DFAB c1ccc2c(c1)CSc1ccccc1[C@H]2CNC1=NCCN1 346607 JEYSLXJFCSUUGI-INIZCTEOSA-N 309.438 2.973 0 40 DFAB Cc1cc(COC(=O)c2ccccc2NC(=O)NC(C)C)on1 32835972 CNGRJRVVNVSRQI-UHFFFAOYSA-N 317.345 2.870 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cn1 32898795 WTMFPMNGQYLHIY-UHFFFAOYSA-N 320.352 2.607 0 40 DFAB CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C(C)C 21933958 OTFXTWJWPNQXIV-ACJLOTCBSA-N 316.445 2.903 0 40 DFAB O=S(=O)(Cc1coc(-c2cccc(F)c2)n1)c1ccccn1 47620169 FUWPWGUAUSSBTI-UHFFFAOYSA-N 318.329 2.850 0 40 DFAB COc1ccc(CCCNC(=O)Cc2ccccc2)cc1OC 1859125 HAPKDSPZOCTGFP-UHFFFAOYSA-N 313.397 2.995 0 40 DFAB C[C@@]1(C(=O)O)CCCN1C(=O)c1csc(Br)c1 79478518 PMHFAHXBTFAJSW-NSHDSACASA-N 318.192 2.590 0 40 DFAB Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 79592320 HYSVEKUBEGXLFT-DNVCBOLYSA-N 308.381 2.536 0 40 DFAB Cc1ccc(CC(=O)NCC[S@@](=O)c2ccc(C)cc2)cc1 1382517 JAZMRNGJXPWZJO-QFIPXVFZSA-N 315.438 2.770 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104633 OFAZPSYXUKIJIK-PJXKFJMCSA-N 308.462 2.722 0 40 DFAB biogenic,in-vitro NC(=S)Nc1ccc(Cc2ccc(NC(N)=S)cc2)cc1 6512424 ZSHCIPPUZCGNPH-UHFFFAOYSA-N 316.455 2.588 0 40 DFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)cs1 6681632 WAKZYQFNVGCQHY-UHFFFAOYSA-N 324.427 2.607 0 40 DFAB NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 97009865 HKPFBAXEWMZCPK-OAHLLOKOSA-N 318.760 2.869 0 40 DFAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1O 8222645 MESOUGARVUTPAH-RKDXNWHRSA-N 315.822 2.839 0 40 DFAB COc1ccc(C(=O)N2CC[C@@H](CN3CCCCC3)C2)c(F)c1 72297642 NGXACXKFYYMTOA-AWEZNQCLSA-N 320.408 2.782 0 40 DFAB CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(Br)o1 44287156 MROJORMEQNMUMY-IUCAKERBSA-N 302.168 2.682 0 40 DFAB Cc1cc(C)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(O)c1 44318987 XYLHVFFWMJCESY-LBPRGKRZSA-N 309.362 2.529 0 40 DFAB CCCCCOC(=O)c1ccc(Nc2nc(=O)[nH]nc2C)cc1 1810520 NTSGNEYXJMHJPS-UHFFFAOYSA-N 316.361 2.564 0 40 DFAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CNCCO1 43710156 DCNYDNDQHQWZBG-ZANVPECISA-N 317.216 2.501 0 40 DFAB COc1ccnc(N2CCN(Cc3ccc(Cl)s3)CC2)n1 23702316 VCGIMFAFBSQMTJ-UHFFFAOYSA-N 324.837 2.522 0 40 DFAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 54528459 TYZXPCPFTUVIDB-GFCCVEGCSA-N 321.377 2.532 0 40 DFAB CCOC1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 58279678 AWIPGPGRMVKUCS-UHFFFAOYSA-N 311.385 2.785 0 40 DFAB CCN(Cc1ccccc1Cl)S(=O)(=O)N(C)C(C)C 44937124 JNDQQTODXDIOLW-UHFFFAOYSA-N 304.843 2.747 0 40 DFAB C[C@@H](NC(=O)Cc1csc(-c2ccco2)n1)[C@H]1CCCO1 27896930 SXXFWBSKUNICBR-ZYHUDNBSSA-N 306.387 2.629 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1c[nH]c2ccc(Br)cc12 58338556 MBYZLHMGCJUPQD-JTQLQIEISA-N 323.190 2.839 0 40 DFAB CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 58597313 JNBYOSDYFRRSKM-ZDUSSCGKSA-N 321.364 2.714 0 40 DFAB Cc1noc(C)c1CC(=O)NCc1coc(-c2cccs2)n1 10878829 FFRRNGGJEZBURK-UHFFFAOYSA-N 317.370 2.867 0 40 DFAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C)cc1 3452451 GNUBNPWIFARJNX-UHFFFAOYSA-N 316.382 2.907 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1 56139367 PXMPWZHWSUCRNQ-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB C[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101615997 XNXDJYRGTSBXOO-GWOFURMSSA-N 315.339 2.993 0 40 DFAB O=C(CCOc1ccc(Cl)cc1)NCCCn1cccn1 46746200 NNQIOZUTTFPUGG-UHFFFAOYSA-N 307.781 2.512 0 40 DFAB Cc1cnc([C@H](Nc2ccc3nnc(C)n3n2)C2CC2)s1 84259495 DIPFDZMUVUDOIB-CYBMUJFWSA-N 300.391 2.761 0 40 DFAB Cc1ncsc1C(=O)NC[C@](C)(O)c1ccccc1Cl 97143425 HDVIMWGKHJRKFX-AWEZNQCLSA-N 310.806 2.742 0 40 DFAB COC[C@@H](C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 97107693 KVRWJAHBORYZRG-CQSZACIVSA-N 305.418 2.759 0 40 DFAB Cc1n[nH]c(C)c1CNC1CCN(Cc2ccc(F)cc2)CC1 97159464 PFLHPPQQLVSDBU-UHFFFAOYSA-N 316.424 2.920 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)O)cccc1[N+](=O)[O-] 95964685 AKGAXROBZLEVRC-QWHCGFSZSA-N 320.345 2.667 0 40 DFAB C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccc1 107151947 PJILRTXBQBCCBY-CQSZACIVSA-N 306.365 2.879 0 40 DFAB c1ccc(-c2cn3nc(N4CCn5ccnc5C4)sc3n2)cc1 97201475 UCUYLQBJBNRSNJ-UHFFFAOYSA-N 322.397 2.675 0 40 DFAB COc1ccccc1[C@H](NC(=O)c1ccccc1)c1nccn1C 12601853 VLFIQSSRAAOSBW-KRWDZBQOSA-N 321.380 2.948 0 40 DFAB Cc1cc(CC(=O)N2C[C@H](n3cccn3)Cc3ccccc32)no1 72527117 ACTDETFEXABZFL-MRXNPFEDSA-N 322.368 2.553 0 40 DFAB CC[C@](C)(NC(=O)c1nc(-c2ccccc2)oc1C)C(=O)O 95969982 CMTISMVDBZJAES-INIZCTEOSA-N 302.330 2.633 0 40 DFAB C[C@H]1CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C[C@@H](C)O1 12797331 ZTINHWCKNBGVMJ-HZSPNIEDSA-N 316.401 2.719 0 40 DFAB CCc1nnc(COC(=O)C23CC4CC(CC(C4)C2)C3)n1C 95960388 DEBYNLSMJNJWQR-UHFFFAOYSA-N 303.406 2.637 0 40 DFAB Cc1ccccc1/C=C/c1nc(SCC(=O)NC(C)C)n[nH]1 12845261 BRQNJZMQXZJFGZ-CMDGGOBGSA-N 316.430 2.900 0 40 DFAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 3409472 PCNVNLOZEXSPFF-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC[C@H](NC(=O)CCc1nc[nH]n1)C12CC3CC(CC(C3)C1)C2 95408895 KZIZAHWXVNVFLR-URZJAHPPSA-N 316.449 2.849 0 40 DFAB CC(C)c1noc([C@@H](C)N[C@H](C)c2nnc3ccccn23)n1 96013964 LROCDQKCJHVKPA-GHMZBOCLSA-N 300.366 2.648 0 40 DFAB CC(C)(C)NC(=O)CN1CCC(CNC[C@@H]2CC=CCC2)CC1 95434091 YCMFZMKWTXLMCX-MRXNPFEDSA-N 321.509 2.559 0 40 DFAB O=C(NC1CC1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 95993086 BPIXUHXPNRJUKP-ZDUSSCGKSA-N 311.389 2.523 0 40 DFAB CC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc1 4106287 ZXFOHYGXNPCCOH-LLVKDONJSA-N 324.336 2.599 0 40 DFAB Cc1ccc([C@H](C)NS(=O)(=O)c2cccc3nonc23)cc1 13938173 RQWDOTDJSOFRNT-NSHDSACASA-N 317.370 2.571 0 40 DFAB CN(C)C(=O)Cc1nc(CN(Cc2ccco2)C2CC2)cs1 65504325 JNTZXBHNGSMFTE-UHFFFAOYSA-N 319.430 2.531 0 40 DFAB Cc1cnn(CCC(=O)N[C@H](C)Cc2cccc(Cl)c2)c1 65575280 OTSIEDSSLSRHLD-CYBMUJFWSA-N 305.809 2.982 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 19736184 WTLBRTNKEQTJBJ-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB O=C(COC(=O)c1ccccc1O)NCCC1=CCCCC1 5784084 KTCMHKWJYLDICB-UHFFFAOYSA-N 303.358 2.556 0 40 DFAB Cn1ccc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)cc1=O 96432682 ZSTPJUBCAGJFRH-INIZCTEOSA-N 318.323 2.545 0 40 DFAB CN(C)c1ncccc1NC(=O)c1cnc(-c2ccccc2)nc1 67829730 WWPJWWMALBGQCP-UHFFFAOYSA-N 319.368 2.857 0 40 DFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1OC(C)C 68544766 SMUYYYHEQNARGZ-STQMWFEESA-N 321.421 2.899 0 40 DFAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 71847046 SJTSANKIJGFHFQ-RDJZCZTQSA-N 310.401 2.562 0 40 DFAB CCCNC(=O)COc1ccccc1-c1nc(C(C)C)no1 64579749 KUCRQWWZSDJTIZ-UHFFFAOYSA-N 303.362 2.765 0 40 DFAB CCn1cc([C@H]2OCC[C@@H]2CNCc2sc(C)nc2C)cn1 83843474 FYIMKOLRFWLOEZ-CJNGLKHVSA-N 320.462 2.844 0 40 DFAB O=C(Nc1nnc(C(F)(F)F)[nH]1)C1(c2ccc(F)cc2)CC1 69367470 KJVWBXBMEVYLCO-UHFFFAOYSA-N 314.242 2.633 0 40 DFAB Cc1ccccc1[C@H]1CCN(C(=O)CCCNC(=O)C2CC2)C1 69518623 XVTPLPRPLJIIKR-INIZCTEOSA-N 314.429 2.617 0 40 DFAB C[C@@H](CS(C)(=O)=O)N(Cc1ccc(F)cc1Cl)C1CC1 69656343 ZYTZIKJUWJVSEE-JTQLQIEISA-N 319.829 2.877 0 40 DFAB CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O 8579389 PVQHEHCPGUTIPM-UHFFFAOYSA-N 321.380 2.780 0 40 DFAB O=C(COc1ccccc1Cl)N1CCC[C@H](n2ccnc2)C1 69917669 IQZQJJOPKPYXCH-ZDUSSCGKSA-N 319.792 2.779 0 40 DFAB CNC(=O)c1cc(C)ccc1NCc1cn2c(C)cc(C)nc2n1 88533950 NYPOYTSYCSKADX-UHFFFAOYSA-N 323.400 2.626 0 40 DFAB COC1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 8921349 IDTYQLBRHXOWLY-SNVBAGLBSA-N 314.788 2.917 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(F)cc1)C2=O 19324007 YKYLYJFEEMAKFE-UHFFFAOYSA-N 302.393 2.831 0 40 DFAB biogenic CC(C)NC(=O)CCNC(=O)[C@H](Sc1ccccc1)C(C)C 71185406 WVGCFKXYRHWQTJ-MRXNPFEDSA-N 322.474 2.834 0 40 DFAB Cc1ccc([S@@](=O)CC(=O)NCCC2CCCCC2)nc1 97016105 FFBNEYLVXGTTNU-OAQYLSRUSA-N 308.447 2.584 0 40 DFAB O=C(NCC1(CO)CC1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 89783320 XNWGOIMPDYMZNM-HUUCEWRRSA-N 306.381 2.534 0 40 DFAB O=C(N[C@H]1CCc2c(F)cccc21)N1CCOC[C@@H]1C1CC1 89891967 QIMYSYHECRRAFT-JKSUJKDBSA-N 304.365 2.633 0 40 DFAB CC[C@H]1CN(C(=O)C2(c3ccccc3OC)CC2)C[C@@H]1N(C)C 89948334 SYOMHJYMOYFSFD-HOCLYGCPSA-N 316.445 2.525 0 40 DFAB CCC(CC)n1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)n1 89943246 BONNNNSGTLFDTD-OAHLLOKOSA-N 321.421 2.612 0 40 DFAB Cc1cc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)on1 75603715 VEXQMNYRPXNXCK-HNNXBMFYSA-N 321.446 2.550 0 40 DFAB Cc1ccc(CN2C[C@@H]3c4ccccc4S(=O)(=O)[C@H]3C2)s1 306131559 KIPXNUSOCUTRTN-ZBFHGGJFSA-N 319.451 2.812 0 40 DFAB CCc1nn2c(nnc3c(O)nccc32)c1-c1ccc(OC)cc1 38828525 USFYNGBRQFFWHS-UHFFFAOYSA-N 321.340 2.616 0 40 DFAB COCCCN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O 409233487 SLRSGLQDFPBLOV-JLHYYAGUSA-N 307.371 2.768 0 40 DFAB CC1(C)[C@@H](NCC2(CS(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 123556229 AWNADIOHZGTDPU-CVEARBPZSA-N 321.486 2.983 0 40 DFAB Cc1cnc(CCNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)nc1 528913597 JOGYYRCCMGNGFK-HOTGVXAUSA-N 313.376 2.777 0 40 DFAB COc1cc(CNC(=O)CCCC/C=C/[C@H](C)CO)ccc1O 77293459 OCVIWAFGWPJVGZ-DYLGSBMWSA-N 321.417 2.762 0 40 DFAB in-vitro COc1cc(S(=O)(=O)Nc2ccccc2O)ccc1Cl 32601965 ATBUSUXJLAWBKF-UHFFFAOYSA-N 313.762 2.855 0 40 DFAB Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@@H](N)c1ccccc1 72224761 FDXROKGVPQOLSY-FQEVSTJZSA-N 324.472 2.969 0 40 DFAB OCCN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72343739 MFBARDKVLYKAKT-CQSZACIVSA-N 317.820 2.969 0 40 DFAB Cc1ccc(C)c(C(=O)NCc2nccc(N3CCCC3)n2)c1 224151059 DZSQIUCPUFITFD-UHFFFAOYSA-N 310.401 2.624 0 40 DFAB C[C@@H](CNCC(C)(C)S(C)(=O)=O)c1cccc(Cl)c1 225479888 IFMONSLRYQLVHJ-NSHDSACASA-N 303.855 2.856 0 40 DFAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cccc(F)c1 225749623 ZEHYTOAPIXTSRW-UHFFFAOYSA-N 314.291 2.918 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(Cl)cc2)S1 40487566 DUKQEFHOESTJKL-ZDUSSCGKSA-N 311.794 2.515 0 40 DFAB CCOC(=O)c1ncc(Br)cc1Br 45921871 ZMOVAGFDWBWORO-UHFFFAOYSA-N 308.957 2.783 0 40 DFAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 222838444 JNDBINBRQMXASU-LSDHHAIUSA-N 300.431 2.801 0 40 DFAB CCCN(CC(=O)O)C(=O)c1csc(-c2ccc(C)o2)n1 195541772 BBJRIYTZSMPDIO-UHFFFAOYSA-N 308.359 2.648 0 40 DFAB CC(=O)N1CCC(N2CC[C@H](c3nc4ccccc4o3)C2)CC1 49168902 QZHHPSIQOKDPFO-AWEZNQCLSA-N 313.401 2.628 0 40 DFAB biogenic,in-vitro COc1ccc(C(=O)NCc2cccc(C)n2)c(OC(F)F)c1 190388984 CCZDLEZCXOBOJB-UHFFFAOYSA-N 322.311 2.930 0 40 DFAB O=C(Cc1ccccc1Cl)Nc1cnn([C@@H]2CCOC2)c1 96123116 NAZGTGJCZACECB-CYBMUJFWSA-N 305.765 2.679 0 40 DFAB CN(CC1CCC1)C(=O)NCc1ccc(OCC2CC2)nc1 96405581 LGAIVZNBIOVSNW-UHFFFAOYSA-N 303.406 2.812 0 40 DFAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1)C2 96039363 VPIFUGJANIEFKU-IEBWSBKVSA-N 317.429 2.663 0 40 DFAB CC(C)(CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)O 97231276 SXMNOEXYQKZBGQ-RKDXNWHRSA-N 313.756 2.810 0 40 DFAB Cc1ccccc1N1C[C@]2(CCN(C(=O)NC(C)C)C2)CC1=O 96238638 MFBXDTFJSSMLCY-GOSISDBHSA-N 315.417 2.542 0 40 DFAB CNc1cc(Nc2cc(CCC3CCNCC3)ccn2)ncn1 257217637 CZWQPTRFVHKGSB-UHFFFAOYSA-N 312.421 2.589 0 40 DFAB Cn1ccnc1-c1cncc([C@@H]2CCCN(c3ccccn3)C2)n1 257287909 PRYCSHQIQBHVFH-CQSZACIVSA-N 320.400 2.656 0 40 DFAB N[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252516910 XSPYTTKCFOPLHJ-RRFJBIMHSA-N 307.802 2.607 0 40 DFAB CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1 26717028 CCJKKAFZUCEZBZ-UHFFFAOYSA-N 304.419 2.750 0 40 DFAB Cc1ccoc1C(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1 253480174 VIWYJLYUNRNITD-ZDUSSCGKSA-N 307.415 2.715 0 40 DFAB CCc1ccccc1S(=O)(=O)N[C@@H](C)c1nccn1CC 451924049 BCHBGSBTGAELFY-LBPRGKRZSA-N 307.419 2.505 0 40 DFAB Cn1cc(-c2cncc(CNC(=O)/C=C/c3ccccc3)c2)cn1 390831817 VFLWZVSCEBKISS-BQYQJAHWSA-N 318.380 2.812 0 40 DFAB O[C@@]1(COc2cccc(F)c2)COCCN(C2CCCCC2)C1 585275865 KIMMJOLYQHPSAW-GOSISDBHSA-N 323.408 2.601 0 40 DFAB O=C(CCCOc1cccc(F)c1)NC1CCN(C2CC2)CC1 58323183 RGJZRRMSIHXJMO-UHFFFAOYSA-N 320.408 2.728 0 40 DFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@@H]1c1ccco1 75124481 ZWUJIYRFWZTEPS-DTWKUNHWSA-N 312.247 2.729 0 40 DFAB O=C(CSC1CCCC1)N1CCC(Cn2ccnc2)CC1 62128692 MTEJXQDZHMYSQM-UHFFFAOYSA-N 307.463 2.798 0 40 DFAB Cn1cnnc1CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086445 WMMUIBOMAVMLGI-LBPRGKRZSA-N 310.323 2.823 0 40 DFAB O=C(COc1ccc(Cl)c(Cl)c1)NC1(CCO)CCC1 95451269 ZXSNGJJZPMUEKR-UHFFFAOYSA-N 318.200 2.794 0 40 DFAB NCc1ccc(I)cc1C(F)(F)F 167229779 SSKFZCYDNBUCEE-UHFFFAOYSA-N 301.049 2.769 0 40 DFAB CSC[C@@](C)(O)CNC(=O)c1ccccc1SC(F)F 151149375 FKDFUMAPAUHVSE-ZDUSSCGKSA-N 321.414 2.845 0 40 DFAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1 5236195 KKMBLZFRHSQYIN-UHFFFAOYSA-N 313.353 2.559 0 40 DFAB CCN(CC)S(=O)(=O)c1cc(Br)ccc1C 5708417 PORHDTSNSWPYQO-UHFFFAOYSA-N 306.225 2.788 0 40 DFAB O=C(O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 13259775 PBUVMPMOEDPDQG-UHFFFAOYSA-N 307.309 2.823 0 40 DFAB COc1ccccc1NC(=O)NCCCN1CCC(C)CC1 17742560 GQNYZOFGDOTFGK-UHFFFAOYSA-N 305.422 2.939 0 40 DFAB COC(=O)[C@@H](NCC1=CCCOC1)c1ccc2ccccc2c1 154675596 URSNQTKFPCPNLO-SFHVURJKSA-N 311.381 2.990 0 40 DFAB COc1ccc(CN=c2[nH]cnc(C3CC3)c2F)c(OC)c1 1888860297 OPTKRAXROUVOAR-UHFFFAOYSA-N 303.337 2.544 0 40 DFAB O=C(Cc1cccc(F)c1F)N1CC[C@H]2[C@H]1CCN2CC1CC1 1565542001 YAZQRDXEUPUASZ-JKSUJKDBSA-N 320.383 2.593 0 40 DFAB Cc1ccc(NC(=O)c2cnc3sc(C)cn3c2=O)c(C)c1 4517302 XIDLKACRBKRKDW-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc(F)c(F)c1 8619578 IMGNXIJXSJRBRR-UHFFFAOYSA-N 315.279 2.533 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCCc3cc(N)ccc32)cc1 11847706 DTOMLGZZBNLJDE-UHFFFAOYSA-N 302.399 2.719 0 40 DFAB C1CCC(CN2CCn3c(CN4CCCCC4)nnc3C2)CC1 2055713322 ANWOHQRDTMMXGE-UHFFFAOYSA-N 317.481 2.660 0 40 DFAB O=C(c1ccc[n+]([O-])c1)N(Cc1ccccc1)Cc1ccco1 30223920 GTHJZHDRPIQDMF-UHFFFAOYSA-N 308.337 2.756 0 40 DFAB Cc1nc2ccccc2n1CC(=O)Nc1nc2ccccc2[nH]1 40047553 SPIAGZVIXVFDHQ-UHFFFAOYSA-N 305.341 2.860 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1ccco1 20745018 SBHDIPOPDMNEDI-UHFFFAOYSA-N 301.371 2.808 0 40 DFAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 20735490 VTXWZCNDRLKNDI-GOSISDBHSA-N 324.384 2.892 0 40 DFAB COc1cccc(CC(=O)Nc2cccnc2-n2ccnc2C)c1 40821709 ZMMKLEYDCNJNRV-UHFFFAOYSA-N 322.368 2.766 0 40 DFAB Cc1cccc(C[S@@](=O)CCC(=O)Nc2cc(C)on2)c1 32800986 JOJLEUNYAQJHRK-OAQYLSRUSA-N 306.387 2.569 0 40 DFAB CCc1ccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)cc1 522528 FNZPUFQNNNOEOR-MRXNPFEDSA-N 310.353 2.777 0 40 DFAB Cc1cc(C)nc(NC(=O)NCCCCn2ccnc2C)c1 97142917 VQCOPYOCYDHJRA-UHFFFAOYSA-N 301.394 2.805 0 40 DFAB COCc1cccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 106078744 HBXKFYGLEZVHBB-LSDHHAIUSA-N 304.434 2.683 0 40 DFAB Cc1cc2nc(NS(=O)(=O)c3ccccc3)[nH]c2cc1C 3850504 VGJMZWIVJVLBKR-UHFFFAOYSA-N 301.371 2.981 0 40 DFAB Cc1cc(C)cc(CSCc2nc(N)nc(N(C)C)n2)c1 25079277 PDWDCBXUZFDVNT-UHFFFAOYSA-N 303.435 2.570 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 55898195 LMUSQWNZMZGKIY-UHFFFAOYSA-N 310.353 2.911 0 40 DFAB CCN1CCN(C(=O)[C@H](C)N[C@@H](C)c2cc(C)sc2C)CC1 95350317 OBEJDYMXLVUVRL-KBPBESRZSA-N 323.506 2.568 0 40 DFAB Cc1ccc(S(=O)(=O)NCCOc2ccccc2)c(C)c1 7304377 ZRWNPUICQDRMHX-UHFFFAOYSA-N 305.399 2.661 0 40 DFAB COc1ccc(C)c2sc(NCCCN3CCOCC3)nc12 26424109 UQBPTMAHOKXSRR-UHFFFAOYSA-N 321.446 2.748 0 40 DFAB CCN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1 12575820 USCQWILQIYFDSP-UHFFFAOYSA-N 313.430 2.600 0 40 DFAB C[C@@]1(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CCCS1 97049500 PVTBFLTWJKIUAA-HIFRSBDPSA-N 308.451 2.932 0 40 DFAB CCc1cccc(OC[C@@H](O)CNC[C@H]2CCCCS2)c1 97014516 UAMUBOIIRGSFGC-DOTOQJQBSA-N 309.475 2.864 0 40 DFAB COC(=O)CN(C(=O)c1cc(C(C)C)on1)c1cccc(F)c1 97031939 OFEQYTHIFNKGQO-UHFFFAOYSA-N 320.320 2.757 0 40 DFAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCC(C)(C)c1ccncc1 97049590 HEHSBXKVSPMUOW-ZBFHGGJFSA-N 319.449 2.552 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)[C@@H]1CCCO1 44910378 UCQXITLTEFVSOY-JSGCOSHPSA-N 320.389 2.514 0 40 DFAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CC=CCC1 58393324 HXAFOUGNHICOEJ-GFCCVEGCSA-N 314.414 2.995 0 40 DFAB O=C(NCCOc1ccccc1)c1ccc(Cn2ccnc2)cc1 58974040 FBKRNZONJITHAD-UHFFFAOYSA-N 321.380 2.740 0 40 DFAB Cc1csc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)n1 28193707 ZSRUTRJOPIMINM-UHFFFAOYSA-N 319.386 2.535 0 40 DFAB CN(C)CCCNC(=S)Nc1ccc(Br)cc1 2283162 FCCZFHROJPIMRQ-UHFFFAOYSA-N 316.268 2.687 0 40 DFAB C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 72310065 OYBMUHGTHNULTI-KMFMINBZSA-N 304.409 2.952 0 40 DFAB C[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1cccnc1Cl 11571759 CLJXSGGDTHZDGB-ZETCQYMHSA-N 323.809 2.850 0 40 DFAB Cc1ccc(OCCNC(=O)NCc2ncc(C)s2)cc1 72304175 HDYUSYUOSQNDEA-UHFFFAOYSA-N 305.403 2.638 0 40 DFAB O=C(CCC1CCCCC1)NCc1cccnc1-n1cncn1 47122617 AZQHNDUDYYRUIW-UHFFFAOYSA-N 313.405 2.639 0 40 DFAB CCC[C@@](C)(NCC(=O)Nc1ccccc1Cl)C(=O)OC 84740013 WQUBZWKUGRRGMU-OAHLLOKOSA-N 312.797 2.600 0 40 DFAB CCCc1nc(CN2CCNC(=O)[C@H]2c2cccs2)cs1 72799712 UONDXXRBPPXBSO-CQSZACIVSA-N 321.471 2.830 0 40 DFAB O=c1[nH]c(CSc2nncs2)nc2ccc(Cl)cc12 12857015 XQSXKBCKTBSTFT-UHFFFAOYSA-N 310.791 2.720 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 12973193 CGBLLLRFUJGDPO-OAHLLOKOSA-N 306.387 2.817 0 40 DFAB CCNc1nc(S[C@@H]2C[C@@H](C)OC2=O)nc2ccccc12 8942232 MAYZOMIIJJNLBC-BXKDBHETSA-N 303.387 2.858 0 40 DFAB Brc1cccc(-c2noc(-c3cnccn3)n2)c1 8990961 SHIBRANSNJMCOZ-UHFFFAOYSA-N 303.119 2.956 0 40 DFAB CCCCn1nnc(NC(=O)c2ccc(OCC(C)C)cc2)n1 9142077 IVZUXUGCZPRTIY-UHFFFAOYSA-N 317.393 2.760 0 40 DFAB COc1ccc(OC)c(C(=O)CSc2nnc(C)s2)c1 5086474 YQKCVAAXFNGDAO-UHFFFAOYSA-N 310.400 2.839 0 40 DFAB C[C@H]1CCc2sc3ncn4c(-c5cnccn5)nnc4c3c2C1 13724490 ANJPNODMPDXENR-VIFPVBQESA-N 322.397 2.921 0 40 DFAB CC(=O)c1cccc(NC(=O)N[C@@H](C)COCC(F)(F)F)c1 65516156 HOPDUISSFNYKBT-VIFPVBQESA-N 318.295 2.978 0 40 DFAB CCCCc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4613845 PDBSLNJXIQZOJR-QXSJWSMHSA-N 315.369 2.622 0 40 DFAB Nc1nc(SCc2csc(-c3ccc(F)cc3)n2)n[nH]1 6607171 LYXBCUFXWYMYMV-UHFFFAOYSA-N 307.379 2.942 0 40 DFAB O=C1COc2ccccc2C(=O)N1Cc1ccccc1Cl 6720017 BILFPVCMCMZZLY-UHFFFAOYSA-N 301.729 2.901 0 40 DFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccnc1 9322047 QWNKGNJJBASUPP-CQSZACIVSA-N 313.357 2.775 0 40 DFAB Cc1ccccc1CC(=O)N1CC[C@]2(C1)CN(C)c1cccnc12 306140813 VENQIOGSPMMMEO-HXUWFJFHSA-N 321.424 2.553 0 40 DFAB CC(C)[C@H]1NC(=O)N(Cc2ccc(Br)cc2)C1=O 15396572 OUWQJTUSYFQWOZ-LLVKDONJSA-N 311.179 2.526 0 40 DFAB COc1cccc(CNC(=O)Cc2ccc(NC(C)=O)cc2)c1 7285253 YASWRWCDQGRZQE-UHFFFAOYSA-N 312.369 2.513 0 40 DFAB O=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccco2)on1 9481232 UTQMDCSHQCNDMP-UHFFFAOYSA-N 300.314 2.754 0 40 DFAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c(C)n1C1CC1 7934531 GCJFSFIMHZANJT-LBPRGKRZSA-N 306.406 2.900 0 40 DFAB O=C(CN1CCC[C@H]1CN1CCCCC1)Nc1ccccc1 69077891 UKXXPXOFKJXNQY-KRWDZBQOSA-N 301.434 2.575 0 40 DFAB Cc1nnnn1-c1ccc(F)c(NC(=O)C2CCCCC2)c1 71888076 NBUYNLULQCUMRN-UHFFFAOYSA-N 303.341 2.629 0 40 DFAB CC1=C(C)[C@@H](NCc2cccs2)N(C[C@H]2CCCO2)C1=O 20123881 XEOHMZKFXGOQLG-HIFRSBDPSA-N 306.431 2.521 0 40 DFAB CCc1nnsc1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 71827231 PCBUUEWFJKVUID-BXUZGUMPSA-N 317.414 2.703 0 40 DFAB Cc1nnc([C@H](C)N2CCCN(Cc3ccc(F)cc3)CC2)o1 69435112 URBDNYACKSDDTD-ZDUSSCGKSA-N 318.396 2.786 0 40 DFAB COC(=O)c1cc(F)ccc1CSc1nnc(N)n1C(C)C 69595027 CCLMMLNUAYFIFY-UHFFFAOYSA-N 324.381 2.659 0 40 DFAB Cc1cn2nc(N3CCc4c(nc(C(C)C)n4C)C3)sc2n1 69510228 IMBKQKUDVAUPLZ-UHFFFAOYSA-N 316.434 2.519 0 40 DFAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2ccccc12 69706039 ISWZYJCRMMFZKF-IRXDYDNUSA-N 310.401 2.610 0 40 DFAB Cc1c(NC(=O)N2CCC(CO)CC2)cccc1OC(F)F 69897437 NMNKIZSICIDOPZ-UHFFFAOYSA-N 314.332 2.833 0 40 DFAB CCOC(=O)c1cnn(-c2nc3ccc(OC)cc3s2)c1C 8715102 VXFMFLCFYHHOKV-UHFFFAOYSA-N 317.370 2.976 0 40 DFAB CC(=O)NCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 84964065 IUWNOHYKQKTGTQ-FLVLSHQESA-N 300.402 2.607 0 40 DFAB C/C(=C\C(=O)N[C@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1 98055470 SPQCDDPPVFCYBG-AONBVXOQSA-N 302.393 2.972 0 40 DFAB Cc1cc(C)c2cc(C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)[nH]c2c1 95995451 SDNDDLHSOPLSIE-KSSFIOAISA-N 311.429 2.951 0 40 DFAB COc1cccc(CSCC(=O)Nc2c(C)n[nH]c2C)c1 95964110 REDMJDKPOOQQQP-UHFFFAOYSA-N 305.403 2.907 0 40 DFAB CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1O)N1CCCC1=O 95974036 ZVUGXEWVAXMNAJ-AWEZNQCLSA-N 310.781 2.631 0 40 DFAB O=C1CCCN1C[C@@H](NC[C@H]1CCCCO1)c1ccccc1 95984436 WCHXUMXDFPTIPI-IAGOWNOFSA-N 302.418 2.509 0 40 DFAB C[C@H](CN1CCN(C)CC1)N[C@H](C)c1ccc(F)cc1Cl 95967789 PKIPIKLJFLARTB-CHWSQXEVSA-N 313.848 2.766 0 40 DFAB COc1ccccc1CN1CC[C@H](NC(=O)OC(C)(C)C)C1 67801208 JUSOQPBZYMQCSL-AWEZNQCLSA-N 306.406 2.794 0 40 DFAB CCn1cc([C@H]2OCC[C@H]2CNCc2scnc2C)cn1 89305976 HWNGIKVKGHVBDM-WFASDCNBSA-N 306.435 2.535 0 40 DFAB CC(C)(CO)CCCNC(=O)NC1(c2cccc(F)c2)CC1 86405647 YNWLMCTWAWVSKO-UHFFFAOYSA-N 308.397 2.913 0 40 DFAB Cc1cn2c(CN(C)C(=O)[C@H]3CC[C@H](C)O3)c(C)nc2s1 89743097 OCAGKYGJRNCZHA-TVQRCGJNSA-N 307.419 2.539 0 40 DFAB CC(C)Oc1cccc(C(=O)N2CCO[C@H](c3ccco3)C2)n1 89890897 QCODFZJDXUKTMV-HNNXBMFYSA-N 316.357 2.676 0 40 DFAB O=C(NCCCCn1ccnc1)NC[C@H]1C[C@H]1c1ccccc1 89827981 YZBWAPVYEWKGML-SJORKVTESA-N 312.417 2.766 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)cc1Br 89904530 LCAOKZDENVQMMB-QMMMGPOBSA-N 324.178 2.672 0 40 DFAB CC1(C)CCN1C(=O)[C@@H]1CCCN1c1ncnc2sccc12 89919468 BKYMZLSRRBEQDG-LBPRGKRZSA-N 316.430 2.671 0 40 DFAB Cc1ccccc1OCC(=O)NCc1ccc(-n2ccnc2)cc1 22509209 QVLPTSMEUSWEGH-UHFFFAOYSA-N 321.380 2.876 0 40 DFAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCCO1 27920815 NGBCBCMDNMTWDI-AWEZNQCLSA-N 305.765 2.702 0 40 DFAB COc1ccccc1CNC(=O)[C@H]1CC(c2ccccc2)=NO1 33148803 HYZQMMMAJQYGOS-QGZVFWFLSA-N 310.353 2.505 0 40 DFAB O=C(Cc1ccc2n[nH]cc2c1)N1CCOC[C@H]1CC1CCC1 515399797 SXFCUNQKQMVQIY-MRXNPFEDSA-N 313.401 2.523 0 40 DFAB C[C@@H](NC(=O)Cc1cncn1C)c1cc2cccc(F)c2o1 530509897 GXCWWTZUNUWIID-SNVBAGLBSA-N 301.321 2.725 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1F 30289897 XTKMJWNGORCOTL-UHFFFAOYSA-N 309.362 2.621 0 40 DFAB OC[C@H](CNCc1cn2cc(Cl)ccc2n1)Cc1ccco1 532866467 QBAQGPVKWKRSFX-LBPRGKRZSA-N 319.792 2.522 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)ccn1 79001767 XLGWJVXPZKHLPC-CQSZACIVSA-N 303.406 2.756 0 40 DFAB CSc1nccc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 72203136 SHZFGBHBMYWIOR-NSHDSACASA-N 324.450 2.692 0 40 DFAB CC(C)c1nsc(N2CCC(NC(=O)C3CCC3)CC2)n1 1057826190 JRSBQXOKTCJCGW-UHFFFAOYSA-N 308.451 2.547 0 40 DFAB CCCN(CCC)S(=O)(=O)c1cncc(Cl)c1NC 72210735 IWARUVUYGDVMIB-UHFFFAOYSA-N 305.831 2.587 0 40 DFAB c1cncc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 72389982 XJHXIPJHJJFOMY-MRXNPFEDSA-N 321.384 2.906 0 40 DFAB C[C@H](Cc1ccccc1)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 132190993 XFWOFIPKDYHXBR-RHSMWYFYSA-N 307.459 2.517 0 40 DFAB CSc1ncc(C(=O)O)c(N2c3ccccc3C[C@@H]2C)n1 226105643 FKYPZHFUOLCVDS-VIFPVBQESA-N 301.371 2.979 0 40 DFAB CN(Cc1csc(-c2ccc(C(=O)O)cc2)n1)[C@@H]1CCOC1 572370392 OUIOPQYCGHFXNJ-CQSZACIVSA-N 318.398 2.729 0 40 DFAB C/C=C/C=C/C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 40090737 WAQQHLOTWAQDMK-BDWKERMESA-N 300.358 2.893 0 40 DFAB CCOC(=O)c1cn(C)c2cc(C(F)(F)F)c(F)cc2c1=O 199801610 XPBMTMKTKYCXSA-UHFFFAOYSA-N 317.238 2.873 0 40 DFAB O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)NC[C@H]1CCCO1 333201503 RJSWIFHTZNDJHV-SDDRHHMPSA-N 308.344 2.833 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1 339464306 SHAKHYWHGSNTQJ-IUODEOHRSA-N 322.836 2.694 0 40 DFAB O=C(NCCc1nc(C(F)(F)F)cs1)NCc1ccco1 96431356 UTEWRLAZNCFKFW-UHFFFAOYSA-N 319.308 2.797 0 40 DFAB CC(C)CN1CCC2(CCN(Cc3cccnc3)CC2)C1=O 96046772 SWBBQXBGVHYQTP-UHFFFAOYSA-N 301.434 2.552 0 40 DFAB CC(C)(NC(=O)CCCN1CCOC1=O)c1cccc(Cl)c1 96414508 NREGHWOLLICLHS-UHFFFAOYSA-N 324.808 2.924 0 40 DFAB CCc1noc([C@@H](C)Nc2cccc(N3CCCNC3=O)c2)n1 96437259 VQYDYBROIBPFIY-LLVKDONJSA-N 315.377 2.725 0 40 DFAB COc1ccc(OCCc2nnc(NC(=O)C(C)C)s2)cc1 95116476 YDSFCVYZPDSVNE-UHFFFAOYSA-N 321.402 2.763 0 40 DFAB CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 96455790 MOJOAXBDJRYJNE-WDEREUQCSA-N 322.352 2.868 0 40 DFAB CN(Cc1cccnc1)C[C@H]1CCCN(c2ncccc2F)C1 97227484 IHKOAAHDSZOKGE-MRXNPFEDSA-N 314.408 2.964 0 40 DFAB CCc1cc(N2CCC(NCc3nc(C)cs3)CC2)ncn1 96449357 RMWKIVIBPJATRR-UHFFFAOYSA-N 317.462 2.563 0 40 DFAB Fc1cccnc1O[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96042614 NLYRETVMORCSJX-OAGGEKHMSA-N 318.348 2.625 0 40 DFAB Cc1cc(CS[C@@H]2CCNC2=O)ccc1Br 252483659 FGQFIVHDRLLVRX-LLVKDONJSA-N 300.221 2.879 0 40 DFAB CN(C)CC(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257299405 RPYWXILIBLKBKR-MAZHCROVSA-N 322.836 2.517 0 40 DFAB Cc1nc(CN2CCOC[C@@H](Cc3ccccn3)C2)cs1 257323554 WKVQUZUNJIJMFF-AWEZNQCLSA-N 303.431 2.538 0 40 DFAB CCOCC(=O)NC[C@@H](Cc1cccc(F)c1)n1cccc1 85467858 CSFDEUHMAMYVNO-MRXNPFEDSA-N 304.365 2.564 0 40 DFAB CO[C@H](CNC(=O)COc1ccccc1F)c1cccc(F)c1 96388062 ZZVUSGMURYEOHW-MRXNPFEDSA-N 321.323 2.848 0 40 DFAB CC(C)(C)OC(=O)NCCc1ncccc1Br 953095511 NIRQMAJCEYRQKT-UHFFFAOYSA-N 301.184 2.911 0 40 DFAB CC(C)N1C[C@@H](C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1=O 47430585 NPZYHINFTNXZES-LBPRGKRZSA-N 318.417 2.885 0 40 DFAB OC1(Cc2cccc(Br)c2Cl)CCNCC1 1083805619 BDTSWOYUOCCLAK-UHFFFAOYSA-N 304.615 2.760 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3csnn3)C2)cc1 50768091 MAWGBBCYURSCQG-AWEZNQCLSA-N 301.415 2.941 0 40 DFAB C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)n1cccn1 74123418 OEUZUKMGCJEABW-PBHICJAKSA-N 306.369 2.745 0 40 DFAB COc1ccc([C@@H](NC(=O)NC[C@H]2CCCOC2)C2CC2)cc1 56374010 CTTXPXMQVMDQCZ-DYVFJYSZSA-N 318.417 2.872 0 40 DFAB Cn1ncc2c(N3CCc4sc(Cl)cc4C3)ncnc21 516282491 KNEJLDJZJIIMOL-UHFFFAOYSA-N 305.794 2.641 0 40 DFAB COc1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1OC 16195221 WONSGKWAEWIBEJ-SCRDCRAPSA-N 319.401 2.878 0 40 DFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2O)c1 9725314 ZQPJZOZONHGBOQ-UHFFFAOYSA-N 312.369 2.720 0 40 DFAB O=C(O)c1cccc(Cl)c1NS(=O)(=O)c1ccccc1 13269520 NZCAGFNQPXRIKF-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB CCN(CC)/C(=C/n1ccccc1=O)OC(=O)c1ccccc1 1438485 PGRVKUVPBMNGEY-VKAVYKQESA-N 312.369 2.803 0 40 DFAB Cc1cc(C(=O)Nc2nnc(CSc3ccccc3)o2)no1 9205011 DSZHGSZSYNJFCM-UHFFFAOYSA-N 316.342 2.911 0 40 DFAB O=c1/c(=C/c2ccccc2)sc2nc(-c3ccc(F)cc3)nn12 531085 NCNHELNGRNCWEO-UVTDQMKNSA-N 323.352 2.505 0 40 DFAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCc1ccccn1 30006392 ZTMBTUQOBBNOEU-AWEZNQCLSA-N 318.442 2.721 0 40 DFAB CCOCc1ccccc1CNS(=O)(=O)c1cccs1 30519325 JPUZALACDNRECP-UHFFFAOYSA-N 311.428 2.763 0 40 DFAB CC[C@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)CCO1 30848468 NICNIXDLIGBYCG-NSHDSACASA-N 304.321 2.732 0 40 DFAB Cc1cn(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc12 50554620 CTNPJFVFXUSXJC-UHFFFAOYSA-N 320.352 2.758 0 40 DFAB CCc1noc(COc2ccc(Br)cc2C=O)n1 20367853 WVCAGLWOBMZPBP-UHFFFAOYSA-N 311.135 2.786 0 40 DFAB CCOc1ncccc1CNC(=O)/C=C/c1ccc(OC)cc1 32796300 WXSPMNZCHLQERJ-DHZHZOJOSA-N 312.369 2.819 0 40 DFAB CCCCCNC(=O)C1CCN(C(=O)Nc2nccs2)CC1 52460567 IMVMTZBPNDKSOR-UHFFFAOYSA-N 324.450 2.693 0 40 DFAB COC1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 52984399 UQAQEWNSIXLQED-UHFFFAOYSA-N 306.793 2.932 0 40 DFAB O=C(C[C@H]1C=CCC1)NC[C@@H](c1cccs1)N1CCOCC1 22767202 HYVLUEFKRUCYCY-GJZGRUSLSA-N 320.458 2.594 0 40 DFAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2F)cc1 23484328 CINSASFCJBJPBN-UHFFFAOYSA-N 314.360 2.523 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc2c(c1)OCO2 104816730 KDSPIUWIWUNVTI-SOUVJXGZSA-N 301.386 2.900 0 40 DFAB CCOC(=O)c1c(NC(=O)COC)sc2c1CC[C@@H](C)C2 148258 UXCLCBYUZLEPPF-SECBINFHSA-N 311.403 2.635 0 40 DFAB CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccco1 330995 ASSMSNJPOQTZIX-GFCCVEGCSA-N 304.268 2.779 0 40 DFAB O=C(Cn1c(N2CCOCC2)nc2ccccc21)c1ccccc1 500744 HMLDCIHCBGNWSW-UHFFFAOYSA-N 321.380 2.756 0 40 DFAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(noc2C)C[C@@]1(C)O 1024759 UNPRVHNJQVGCOX-BRWVUGGUSA-N 303.333 2.766 0 40 DFAB Nc1ccc2ccc(NS(=O)(=O)N3CCCCC3)cc2c1 1576544 XRKVXXQHCZHMRY-UHFFFAOYSA-N 305.403 2.565 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1 1972419 OYQKDYJEEACWBR-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB Cn1cccc1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 3295434 VKMNJTDMNBSXNE-UHFFFAOYSA-N 310.712 2.613 0 40 DFAB Cn1nc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1=O 3393836 GUUDMNAPXUXUSV-UHFFFAOYSA-N 321.336 2.825 0 40 DFAB CC(=O)N1c2ccccc2C(=O)O[C@H]1C(Cl)(Cl)Cl 4416875 XCRWZHNTQNVGLE-JTQLQIEISA-N 308.548 2.906 0 40 DFAB O=C(NC1CCCC1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 4965566 XZEKOHLVSFYBFD-AWEZNQCLSA-N 321.465 2.800 0 40 DFAB C/C=C/S(=O)(=O)c1ccc(C)cc1S(=O)(=O)/C=C/C 5371710 LAIYTQTUFYGWGK-KBXRYBNXSA-N 300.401 2.610 0 40 DFAB CC1CCN(C(=O)C2CCN(Cc3ccccn3)CC2)CC1 5607798 AFXSJLLZSUTTEL-UHFFFAOYSA-N 301.434 2.552 0 40 DFAB CCCCCC[C@@H](C)NC(=O)CCC(=O)NC[C@H]1CCCO1 6592017 CRPAABVWWCQXAW-HUUCEWRRSA-N 312.454 2.537 0 40 DFAB CC(=O)c1ccc(OC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 7401404 WQKMZRLSTTUVNL-LJQANCHMSA-N 324.332 2.966 0 40 DFAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1 8579480 XWPYNZYWGPLQHD-UHFFFAOYSA-N 307.353 2.585 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)NCCc3ccco3)c12 8762594 DPFSTJSVHJALMV-UHFFFAOYSA-N 311.341 2.974 0 40 DFAB Cc1nc(COc2ccccc2C(=O)Nc2nccs2)no1 8772632 YNMQSGUPISCUEG-UHFFFAOYSA-N 316.342 2.666 0 40 DFAB O=C(CNC(=O)c1ccccc1F)Nc1ccc2ccccc2n1 9322885 HXEQXUWYPKOZQH-UHFFFAOYSA-N 323.327 2.742 0 40 DFAB CCOc1ccc(-c2nnc(S[C@@H]3C[C@@H](C)OC3=O)o2)cc1 9365676 QMMPXZBHHQXKDL-BXKDBHETSA-N 320.370 2.931 0 40 DFAB CSc1cccc(NC(=O)C(=O)NCCc2ccccc2)c1 10326401 NKRFWGWCADEXLC-UHFFFAOYSA-N 314.410 2.706 0 40 DFAB C[C@H](O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 12383697 FVCMFOLIVJPKLR-PDSMFRHLSA-N 317.385 2.800 0 40 DFAB O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1cc(C2CC2)no1 13642193 HAMBRRFTQPMKLN-UHFFFAOYSA-N 322.315 2.814 0 40 DFAB O=C(O)c1ccc(CNC(=S)NCc2ccccc2)cc1 13813257 WKBMTXVEOCPNPZ-UHFFFAOYSA-N 300.383 2.549 0 40 DFAB Cc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccccc3F)C2)n1 19117992 LEPBMSMLLQNRKE-AWEZNQCLSA-N 301.365 2.597 0 40 DFAB COCC(=O)N[C@H](Cc1ccsc1)c1nc(C)c(C)s1 19559787 LYUUWMKINVEGLD-GFCCVEGCSA-N 310.444 2.868 0 40 DFAB CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1cccc(F)c1 20026340 LZIMSOVSKYQHKO-SJORKVTESA-N 301.365 2.569 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccccc2F)c(C(=O)O)c1 21519213 APMKTLRHGQTPMR-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)C(C)C)CC1=O 21871530 LUBWIWCXMOXUON-KBPBESRZSA-N 318.417 2.599 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1csc2c1CCCC2 21937422 WFSAMDPWVPJFMD-UHFFFAOYSA-N 308.447 2.614 0 40 DFAB Cc1ccc(CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 21972909 DHSRZRUUFINZDT-MRXNPFEDSA-N 311.381 2.884 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3O)c(C)n2n1 24151333 ZVUUXARJLALPRK-UHFFFAOYSA-N 324.384 2.931 0 40 DFAB CC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 24481152 GJLFWBCBQSVQNF-CQSZACIVSA-N 311.385 2.637 0 40 DFAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccoc2)CC1 25058904 VFKUCZSKUAGGCJ-UHFFFAOYSA-N 313.353 2.627 0 40 DFAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@H]3CCCO3)c12 27886718 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2.609 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1ccc(F)cc1 49941435 JEJDKRVOMOTMAQ-OAHLLOKOSA-N 315.344 2.667 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 50010139 PUZUAKUJMHOFJH-UHFFFAOYSA-N 307.346 2.853 0 40 DFAB CCc1nnsc1C(=O)NCCc1c[nH]c2cc(F)ccc12 50766827 XZQORVKCOMFODQ-UHFFFAOYSA-N 318.377 2.693 0 40 DFAB Cc1ccc(-n2nnc(C(=O)NCc3ccncc3)c2C)cc1C 51318276 XZXNKLDMXHTEFM-UHFFFAOYSA-N 321.384 2.518 0 40 DFAB CCCCNC(=O)Cc1nc2c(sc3ccccc32)c(=O)[nH]1 53853717 CGTKHUGKRLDANR-UHFFFAOYSA-N 315.398 2.597 0 40 DFAB CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1 57312768 DFSZEMGGCCSTOX-DOTOQJQBSA-N 300.402 2.609 0 40 DFAB CC(C)c1cc(C(=O)N[C@H]2CCN(C3CC3)C2)nn1C(C)(C)C 58166922 FLSNHAFCDAAQQV-ZDUSSCGKSA-N 318.465 2.728 0 40 DFAB C[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1 58277374 YNADFKZHZYQETM-VIFPVBQESA-N 324.739 2.507 0 40 DFAB Cc1noc([C@H]2CCCCN2C(=O)NCCc2ccccc2)n1 67350558 CLEMOIWIGQSBBT-OAHLLOKOSA-N 314.389 2.857 0 40 DFAB COc1c(F)cc(NC(=O)NCc2ccccc2CO)cc1F 69035058 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Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@H](C)[C@@H](N(C)C)C1 78895630 AELMALYIYGXQEV-GTNSWQLSSA-N 317.408 2.566 0 40 DFAB CCOC(=O)c1csc(CNC(=O)c2sccc2CC)n1 79310364 ICSBEFFGMPQACA-UHFFFAOYSA-N 324.427 2.874 0 40 DFAB C[C@H](CNC(=O)Nc1ccc(F)cc1F)CC1(C)OCCO1 80770251 ZJXAZBQKDRSUAW-JTQLQIEISA-N 314.332 2.876 0 40 DFAB Cc1ccc(CCNC(=O)NCCc2cc(F)ccc2F)cn1 83226477 CDIJXUHDICBCKB-UHFFFAOYSA-N 319.355 2.753 0 40 DFAB COCc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)no1 84456636 TYVBNVPKQURAHF-HNNXBMFYSA-N 315.373 2.918 0 40 DFAB C[C@H](CCCO)NC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 88590858 DFEKLWLOUWHYBK-DAXOMENPSA-N 308.397 2.922 0 40 DFAB O=C([C@@H]1CCCCN1Cc1cccnc1)N1C[C@H]2CCC[C@H]2C1 89794011 YCZBDAQPJIYSBP-KSZLIROESA-N 313.445 2.695 0 40 DFAB CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 89802043 ZJYVLKNHHRDKPY-NVXWUHKLSA-N 320.477 2.920 0 40 DFAB C[C@H](Cc1ccccc1Br)NC(=O)Cc1ccon1 89904197 DBZWLXZXJKHTOH-SNVBAGLBSA-N 323.190 2.727 0 40 DFAB C[C@H](Cc1ccc(Cl)cc1)NCC1(N(C)C)CCOCC1 91339412 CIPLPEVSPUTTPN-CQSZACIVSA-N 310.869 2.971 0 40 DFAB NC(=O)C[C@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 93808748 DUPKGOVSLSMVJN-MRXNPFEDSA-N 309.413 2.836 0 40 DFAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCOC2)c1 95401197 RLSSJTJKNQVUOM-GFCCVEGCSA-N 324.808 2.843 0 40 DFAB O=C(O)c1cc(Cl)ccc1CN1C(=O)c2ccccc2C1=O 95917891 HWLCIPQDFNTGIB-UHFFFAOYSA-N 315.712 2.834 0 40 DFAB CN(CCO)C(=O)Nc1ccc(Cl)c(Br)c1 95964854 BLIZZEXSHWEMGZ-UHFFFAOYSA-N 307.575 2.559 0 40 DFAB c1ccc(CN2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 96073771 JOQCVIZHLOVKKU-PKOBYXMFSA-N 324.428 2.712 0 40 DFAB O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CCN2C2CCC2)O1 96187281 FROCOGXIWXANMU-BZUAXINKSA-N 320.458 2.539 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccnc1 96232170 WPCZCLAZDYTVMS-UHFFFAOYSA-N 308.341 2.633 0 40 DFAB CCc1ncncc1C(=O)Nc1ccc(CN2CCCC2)cc1 96435980 CCOFHRKPAZZOEI-UHFFFAOYSA-N 310.401 2.887 0 40 DFAB CC[C@](C)(NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)OC 96451217 PPOGOCCCNLDKMO-DIFFPNOSSA-N 303.358 2.994 0 40 DFAB COc1ccc(Cl)cc1N1CC[C@@H](NC2CCOCC2)C1 96476967 VPWXNUNBLVEVDC-CQSZACIVSA-N 310.825 2.696 0 40 DFAB CC[C@@H]1c2cccn2CCN1C(=O)c1cccc(-n2ccnc2)n1 96501430 VQPGKJABJLQYTD-OAHLLOKOSA-N 321.384 2.676 0 40 DFAB O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[C@@H]1CCCCO1 97080047 DAFKBSUDEWLSPE-LSDHHAIUSA-N 311.809 2.839 0 40 DFAB COc1cc(NCCC(C)(C)C)ccc1NS(C)(=O)=O 97103844 QONXKALNPRDMGW-UHFFFAOYSA-N 300.424 2.915 0 40 DFAB O=C(Nc1ccncc1F)N1CCN(c2ccccc2F)CC1 97135842 DBLZKCVCLZEMNX-UHFFFAOYSA-N 318.327 2.714 0 40 DFAB CCOC(=O)c1cnn([C@H]2CCCN(Cc3cccs3)C2)c1 97235571 NODPMJOISGGVJG-AWEZNQCLSA-N 319.430 2.958 0 40 DFAB Cc1coc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)O)c3)cc12 187080384 HJWVZCBOBGVCQV-UHFFFAOYSA-N 320.326 2.568 0 40 DFAB C[C@@H](NC(=O)C(C)(C)O)c1ccc(Oc2cccnc2)c(F)c1 225433186 YQNXSGPIZGPARP-LLVKDONJSA-N 318.348 2.961 0 40 DFAB CCCC[C@](C)(OC)C(=O)Nc1cnc(OCCOC)c(C)c1 225886169 NIGOEDMDBVIOBW-KRWDZBQOSA-N 324.421 2.949 0 40 DFAB O=S(=O)(c1ccc([C@@H](O)C(F)(F)F)cc1)C(F)(F)F 226746209 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DFAB C[C@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C[C@@H]1C(=O)O 564978254 MAXKOTRAOQRORH-AAEUAGOBSA-N 318.373 2.586 0 40 DFAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21 585263584 SUJRLEXSAYOKIR-DCDXPUDHSA-N 303.402 2.922 0 40 DFAB C[C@]12CCN(c3ncccn3)[C@H]1CCC(=O)N2Cc1ccccc1 1848356987 BCJMCYOQIKJRNY-LPHOPBHVSA-N 322.412 2.637 0 40 DFAB C[C@H](CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1 95457925 IYGZTLQOQJZDNP-MZMPZRCHSA-N 321.392 2.774 0 40 DFAB Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nccn(C)c2=O)cc1 78678042 OFXLUIUMYRDIMP-CVEARBPZSA-N 313.401 2.669 0 40 DFAB O=C(c1ccc(Br)cc1)N1CCSC1=S 3160933 CVGFDMPLSSPWOC-UHFFFAOYSA-N 302.218 2.923 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)C(Cl)(Cl)Cl 3116950 NPZYTTWPRZDIML-UHFFFAOYSA-N 323.607 2.832 0 40 DFAB O=C(NC1CCCCC1)c1cc2ncc(Br)cn2n1 2808861 MFUQYZZRIFREDX-UHFFFAOYSA-N 323.194 2.554 0 40 DFAB O=C(Nc1cccnc1-n1cccn1)c1cc(-c2ccco2)on1 25011899 FSRTUVODOFXZOQ-UHFFFAOYSA-N 321.296 2.768 0 40 DFAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCOc2ccccc21 106631027 VESZSFCGISNOPU-SQWLQELKSA-N 319.401 2.601 0 40 DFAB COc1ccc(OC)c(NCc2nnc3n2CCCCC3)c1 4303641 RFDYXNMMNSOKRQ-UHFFFAOYSA-N 302.378 2.634 0 40 DFAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)NC3=O)c1 1404854 DMEPSQCDGAJFCU-HNNXBMFYSA-N 321.336 2.624 0 40 DFAB COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O 1559232 LWBHKKLWSUFUNZ-OAHLLOKOSA-N 316.309 2.822 0 40 DFAB endogenous,in-man NC(=O)c1sc(=S)n(-c2cccc(C(F)(F)F)c2)c1N 7499851 RFJIWOHNUQLTQJ-UHFFFAOYSA-N 319.333 2.968 0 40 DFAB CN1C(=O)C[C@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 95440497 ODSLHFAQRAQJHA-WFASDCNBSA-N 318.373 2.589 0 40 DFAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cccnc1 95957347 VIBSNUYAYONTQD-QGZVFWFLSA-N 309.369 2.556 0 40 DFAB COc1ccccc1C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 10542894 HWKLCZHBYTXCQX-GASCZTMLSA-N 304.434 2.793 0 40 DFAB CCn1c(NC(=O)[C@@H]2COc3ccccc3O2)nc2ccccc21 10543491 QBDXPGFYFBPLHX-INIZCTEOSA-N 323.352 2.835 0 40 DFAB O=C(N[C@H]1CCCc2ccccc21)c1cc2c([nH]c1=O)CCC2 84581924 VHOKDAKFGCPLBP-KRWDZBQOSA-N 308.381 2.671 0 40 DFAB NC(=O)c1ccsc1NC(=O)c1ccc(OC(F)F)cc1 12598688 OETZPQJHCXYDPV-UHFFFAOYSA-N 312.297 2.701 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccn1 8388136 FXVVEJCVLYKVDG-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1sccc1SC 89385903 UBAPRNVTPYZSLE-UWVGGRQHSA-N 312.460 2.505 0 40 DFAB Cc1c(C(=O)NCc2ccsc2-n2cccc2)cnn1C 58229032 XZDPZNPGKILQMD-UHFFFAOYSA-N 300.387 2.511 0 40 DFAB O[C@@H](CNCc1cccc2c1OCCCO2)c1ccc(F)cc1 58230718 ZKCDHCVQHZRNTE-INIZCTEOSA-N 317.360 2.810 0 40 DFAB Cc1cc(NC(=O)c2nc(C)n(-c3ccccc3Cl)n2)[nH]n1 58282789 OKEGQNKIAKYOSO-UHFFFAOYSA-N 316.752 2.513 0 40 DFAB C[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)Cn1cccn1 58218089 SCFMWJMICICQSO-MRXNPFEDSA-N 322.412 2.669 0 40 DFAB Clc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1 44977104 WJWQOOGNFNTKAB-ZDUSSCGKSA-N 315.764 2.584 0 40 DFAB CN(Cc1ccsc1)C(=O)c1cccc(N2CCOC2=O)c1 44966101 QCIPNVNSYMAPPY-UHFFFAOYSA-N 316.382 2.977 0 40 DFAB O=C(CC1CCCC1)N1CCCN(CCc2ccncc2)CC1 58579516 OBYYXFFYPVRHTM-UHFFFAOYSA-N 315.461 2.739 0 40 DFAB COC(=O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1 2230120 GVTBOSJWXGGRRK-UHFFFAOYSA-N 316.401 2.775 0 40 DFAB COc1ccc(CCCC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1F 84606366 VNKOFYRKAHZRSS-HOCLYGCPSA-N 323.408 2.824 0 40 DFAB CCCCO[C@@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84746652 WFTFAKVTQNKKGM-AAEUAGOBSA-N 307.394 2.816 0 40 DFAB Cc1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)o1 11594474 WTBBPHXZMWJIHY-JTQLQIEISA-N 303.387 2.838 0 40 DFAB Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2n1 102597445 XYRPFHDEFRNJCD-ZQDZILKHSA-N 312.417 2.901 0 40 DFAB O=c1[nH]c(SCCCOc2ccccc2)nc2c1CCC2 11905481 CJSKFCHTRWRGLB-UHFFFAOYSA-N 302.399 2.820 0 40 DFAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1 29975497 CTIWEZKAMFEHNO-UHFFFAOYSA-N 312.369 2.917 0 40 DFAB Cc1cc(NC(=O)CSc2ncnc3sccc23)no1 3290692 XAWLEVJBXJERHU-UHFFFAOYSA-N 306.372 2.719 0 40 DFAB COc1cccc(CN(C)[C@@H](C)C(=O)NCc2cccs2)c1 12792901 XYCYGXJVHLGTED-ZDUSSCGKSA-N 318.442 2.893 0 40 DFAB O=C(O)CCCCCNC(=O)Cn1ccc2ccc(F)cc21 20727809 QVYQKAXAYGTVLB-UHFFFAOYSA-N 306.337 2.542 0 40 DFAB CC(C)C1CCC(C(=O)NCC(=O)NCc2ccccc2)CC1 9195366 QLYDRXSUTRMOHP-UHFFFAOYSA-N 316.445 2.881 0 40 DFAB O=C(O)c1csc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 13278619 DYXXCSHKWSEWHF-UHFFFAOYSA-N 319.310 2.525 0 40 DFAB CCOC(=O)c1ccc2[nH]c(-c3ccnc(N(C)C)n3)cc2c1 95933433 JUNYLBOAWFCONB-UHFFFAOYSA-N 310.357 2.868 0 40 DFAB COCCCNC[C@@H](O)COc1ccc(C(C)(C)C)cc1C 6083450 QHCJVMKDBOYEFN-MRXNPFEDSA-N 309.450 2.658 0 40 DFAB Cn1ncc2c(N3CC=C(c4ccc(F)cc4)CC3)ncnc21 65415406 HVNQDGHBQTVHLC-UHFFFAOYSA-N 309.348 2.796 0 40 DFAB COc1cc(OC)c(NC(=O)N[C@H](C)C(C)(C)O)cc1Cl 65553261 UFEYCPUQHBDILN-MRVPVSSYSA-N 316.785 2.638 0 40 DFAB NC(=O)CN(C(=O)c1cc(Cl)sc1Cl)C1CCCC1 65520990 KBQVSKAQCZBJPQ-UHFFFAOYSA-N 321.229 2.925 0 40 DFAB COc1ccc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2c1 5365876 TWAOZLLXULESSI-QGZVFWFLSA-N 315.369 2.522 0 40 DFAB C[C@@H](c1ccccc1)N(C)CC(=O)N1CC(=O)Nc2ccccc21 14118011 KNBYJSVTTDKQBB-AWEZNQCLSA-N 323.396 2.665 0 40 DFAB COc1ccc(N2C(=O)/C(=C/c3ccco3)NC2=S)cc1 4675511 VSAQSMLUPXXARJ-LCYFTJDESA-N 300.339 2.550 0 40 DFAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2)c1 15340004 AIIRLGXHCISYGF-HNNXBMFYSA-N 310.397 2.911 0 40 DFAB O=C1c2ccccc2CCC[C@H]1Sc1nnnn1C1CC1 67428959 DJPGZDWVBUXOEP-CYBMUJFWSA-N 300.387 2.688 0 40 DFAB O=C1c2ccccc2N[C@H](c2ccccn2)N1C[C@@H]1CCCO1 15502903 MHUKIHWCDILDFC-GUYCJALGSA-N 309.369 2.827 0 40 DFAB Cc1ccc(C(=O)NCCc2nc3c(F)cccc3n2C)o1 71893184 NQJJSZVCYHVECY-UHFFFAOYSA-N 301.321 2.586 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CS(C)(=O)=O)cc1 8276248 GPBBLVVXTNZIGB-IUODEOHRSA-N 309.431 2.540 0 40 DFAB CC(=O)NC[C@H]1CCCN(CCCOc2c(C)cccc2C)C1 71903159 UDZXMLYDXHGHAV-GOSISDBHSA-N 318.461 2.920 0 40 DFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCCO)cc1 8329001 DYVFTETXWIKIFE-UHFFFAOYSA-N 321.424 2.989 0 40 DFAB CC(C)OCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 8328489 TXNWSFIQEULPHS-UHFFFAOYSA-N 312.369 2.963 0 40 DFAB FC(F)(F)c1ccc(N2CC[C@H](N[C@H]3CCOC3)C2)cc1 110687625 MAPJBASFFCPZHH-STQMWFEESA-N 300.324 2.663 0 40 DFAB CC(C)(C)c1ccc2c(c1)CCN2S(=O)(=O)C[C@H]1CCOC1 71910757 KRBGHLGDDPFOKZ-ZDUSSCGKSA-N 323.458 2.713 0 40 DFAB O=S(=O)(CC1CCCCC1)Nc1ccc(-n2ccnc2)nc1 71920439 VBZAMGYOENDTCM-UHFFFAOYSA-N 320.418 2.589 0 40 DFAB c1ccc(C[C@@H](Nc2ccc3nnnn3n2)c2ccccc2)cc1 8768357 TXKZUVIVFVSCAY-MRXNPFEDSA-N 316.368 2.915 0 40 DFAB COC(=O)c1ccc(OC(=O)c2ccc(NC(C)=O)s2)cc1 8772636 WDGLZQIPFLAFBR-UHFFFAOYSA-N 319.338 2.712 0 40 DFAB CCCCC[C@@H](C)NC(=O)c1ccc(-n2nnnc2C)cc1 71285036 WLOYEOGHHZGFDV-GFCCVEGCSA-N 301.394 2.669 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1cccc(OCC(F)F)n1 97034830 LKBPKCIWAISOOG-GLQYFDAESA-N 312.360 2.629 0 40 DFAB COc1cccc2cc(C(=O)N[C@@H](CO)c3ccccc3)oc12 97232925 TZSABWJKTCNBCS-AWEZNQCLSA-N 311.337 2.905 0 40 DFAB CCO[C@@H](CC)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 72527197 ULDZQONPKSRYPK-WBVHZDCISA-N 313.401 2.829 0 40 DFAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CC1(N)CCC1 95971717 RQDXKCOFRMJXJL-HNNXBMFYSA-N 301.434 2.515 0 40 DFAB CCc1nnc(S)n1NC(=S)Nc1ccc(Cl)cc1 27525943 YGHJVDZORSUQQW-UHFFFAOYSA-N 313.839 2.723 0 40 DFAB CS[C@@H]1CC[C@H](N(C)CC(=O)NCc2sccc2C)C1 110646138 VZUKCOMKRUIQCN-QWHCGFSZSA-N 312.504 2.889 0 40 DFAB CCOC(=O)c1cc2c(=O)n(-c3ccccc3)ccc2nc1C 22607643 HELHSOSAWFYGAD-UHFFFAOYSA-N 308.337 2.871 0 40 DFAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409233307 FJPRPJQDBDGZKV-UXBLZVDNSA-N 315.156 2.915 0 40 DFAB Cc1cc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)cc(C)c1F 215656854 NJOSVBYWTUZGTL-GUTXKFCHSA-N 308.397 2.964 0 40 DFAB CCCCNCc1ccc(OCc2nc(C)no2)c(OC)c1 35287209 AMBKKSXQLAYYKX-UHFFFAOYSA-N 305.378 2.855 0 40 DFAB OC1(c2cccnc2F)CCN(Cc2cccc(F)c2F)CC1 72340002 FCYQKAJYTPKUBT-UHFFFAOYSA-N 322.330 2.983 0 40 DFAB CC1(C)C[C@@H]2C[C@@](C)(CN2Cn2nc3c(cc2=O)CCC3)C1 72403299 OSLPUCIHRWQHJB-RDTXWAMCSA-N 301.434 2.590 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@@H]1c1ccccc1 218061223 LWUQMQUMQLZFBY-OWCLPIDISA-N 322.813 2.888 0 40 DFAB CC(C)Oc1cc(C(=O)N2CCN(C)CC2)cc2occc12 72240192 XOCAAJJTHTZCDV-UHFFFAOYSA-N 302.374 2.608 0 40 DFAB CCN1CCN([C@@H]2CCN(C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 225514149 AYVLCJGFSDWJCR-OTWHNJEPSA-N 305.510 2.691 0 40 DFAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COC(C)C 224722362 YJXZYPRGAGFFBE-ZDUSSCGKSA-N 309.406 2.775 0 40 DFAB CC(=O)NC1CCC(N[C@H](C)COc2cccc(C)c2)CC1 132618843 ISFGCSFMVKZJPC-ODIFPOPNSA-N 304.434 2.799 0 40 DFAB Clc1ccc([C@@H](CNCc2ncc[nH]2)n2cccn2)cc1 83476179 IXVKUTQIMRYJCX-CQSZACIVSA-N 301.781 2.639 0 40 DFAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1)C2 96039365 VPIFUGJANIEFKU-PKOBYXMFSA-N 317.429 2.663 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cccc(C(=O)O)c2)C1 141953084 LHBQAFIXLOCLTK-CYBMUJFWSA-N 320.389 2.878 0 40 DFAB CCc1ccc([C@@H]2COCCN2C(=O)c2cc(C(C)C)[nH]n2)o1 96412796 AUTMNDTXFPIQDH-HNNXBMFYSA-N 317.389 2.902 0 40 DFAB Cc1ncsc1C(=O)NCC1(CO)CC(c2ccccc2)C1 579795862 XBHKHYSIMXAUHS-UHFFFAOYSA-N 316.426 2.738 0 40 DFAB COC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96038993 ITOPJISNORFFIT-QZTJIDSGSA-N 305.418 2.713 0 40 DFAB C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1 95397612 UBIUKTAEBXAJLR-RPVQJOFSSA-N 314.429 2.806 0 40 DFAB CS(=O)(=O)C1(c2nc(Cc3ccc(F)cc3)no2)CCCC1 96449329 WIBCSLLJLSISBB-UHFFFAOYSA-N 324.377 2.613 0 40 DFAB CC(C)(C)OC(=O)Nc1cc(C(=O)O)c(Br)cn1 95762111 QLMXDJJNFIQLTO-UHFFFAOYSA-N 317.139 2.889 0 40 DFAB CO[C@@H](CNS(=O)(=O)c1cccs1)c1ccc(C)s1 96104783 OZJMWSSAVJIYIP-JTQLQIEISA-N 317.457 2.784 0 40 DFAB CCc1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)[nH]n1 96417840 ZUDVRAXTOBBYBQ-UHFFFAOYSA-N 314.267 2.561 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)CCc1cccs1 97379388 LXOICABQUUIEER-HNNXBMFYSA-N 304.415 2.619 0 40 DFAB COCCn1ccc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)n1 96415879 YUGKISBUZOYXHZ-NSHDSACASA-N 322.434 2.652 0 40 DFAB Cc1cc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)no1 96183222 LEXLWRVLJZBFIN-UHFFFAOYSA-N 313.357 2.636 0 40 DFAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2ccccn2)C1 96193080 SNZSTAXFVDJZEE-QGZVFWFLSA-N 311.341 2.612 0 40 DFAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)N1CC1CC1 96056547 NSHWJHZLHTXHTQ-IAGOWNOFSA-N 302.393 2.801 0 40 DFAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 257208583 BMTJUSWZCFJDNO-HNNXBMFYSA-N 315.392 2.881 0 40 DFAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc(C)cn2C)C1 257332552 XXUREHUOUXSGIA-ZDUSSCGKSA-N 316.405 2.607 0 40 DFAB O=C(c1ncccn1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257296376 RCOIXSLCLKFBLA-CQSZACIVSA-N 318.380 2.730 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257243044 IFGZICJBNCXJQY-CYBMUJFWSA-N 309.373 2.614 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)[C@@H]3CCCCO3)CC2)s1 257221184 DNVVCCCKSHOYJW-ZDUSSCGKSA-N 308.447 2.901 0 40 DFAB O=C(c1cc(-n2ccnc2)ccn1)N1CCCc2ccccc21 90608783 HSGCNFURXJVJML-UHFFFAOYSA-N 304.353 2.860 0 40 DFAB COc1ccc(C(=O)c2cc(OC)ccc2OC)c(OC)c1 95916707 HKBFYAXJCKMUHV-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1 100069743 PQVXOYXOWOKSNG-ZZEZOPTASA-N 306.321 2.942 0 40 DFAB CC(C)c1snnc1C(=O)N1CCC[C@]2(CCCN2C)CC1 585100567 NSVRAHTXLAYRKP-MRXNPFEDSA-N 322.478 2.752 0 40 DFAB COCC[C@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 585105270 RVDZLZQGMWNJOR-INIZCTEOSA-N 304.434 2.798 0 40 DFAB CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)s1 69520963 CMPGMJRYFFCFGC-OLZOCXBDSA-N 307.463 2.713 0 40 DFAB FC(F)(F)c1nc(CN[C@@H]2CCc3n[nH]cc3C2)cs1 893010436 XIHOZFWIKDAFDU-MRVPVSSYSA-N 302.325 2.532 0 40 DFAB CNC(=O)c1cc(NC(=O)CCOCC(C)C)ccc1Cl 57265157 KAYJSCYRYLOMNR-UHFFFAOYSA-N 312.797 2.701 0 40 DFAB O=C(N[C@H]1CCC12CCOCC2)c1cc(-c2ccccc2)[nH]n1 585409812 SPBWFZJRKAKFHG-INIZCTEOSA-N 311.385 2.766 0 40 DFAB CCc1ncncc1C(=O)Nc1ccc(Br)c(C)n1 72512311 WKPAHFSNZZXJAN-UHFFFAOYSA-N 321.178 2.757 0 40 DFAB FC(F)(F)c1cccc(CN2CCN(c3ccncn3)CC2)c1 1203886983 POLUUURNLNZXTQ-UHFFFAOYSA-N 322.334 2.818 0 40 DFAB CCCC(=O)[C@]1(C)OC(=O)[C@]2(C)[C@@H]3CC[C@H](C)[C@H](O)[C@@H]3C=C[C@@H]12 1772591708 LVVOMYFTQJSYEN-AEBVYQEBSA-N 320.429 2.887 0 40 DFAB Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c(C)c1 5516163 PUQHUFQOFIMHBN-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB Cc1cccc(CS(=O)(=O)NCCN(C)c2ccccc2)c1 13648503 BJWRBSSVRXIKFF-UHFFFAOYSA-N 318.442 2.551 0 40 DFAB Brc1n[nH]c2cccc(I)c12 14983487 MVOVURPDTBOZEP-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)c1 17320846 YPGVEKPFNQOJDA-UHFFFAOYSA-N 321.336 2.531 0 40 DFAB CNc1cc([C@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 19592146 HNWPPZBAXIBCAN-OAHLLOKOSA-N 305.385 2.823 0 40 DFAB CCc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccco2)s1 206864030 DSLVGVKSUOKGHK-GFCCVEGCSA-N 315.416 2.570 0 40 DFAB O=C(CSC1CCCC1)N1CCC[C@@H](Oc2ncccn2)C1 575604633 BACMMFUDUQINTO-CYBMUJFWSA-N 321.446 2.522 0 40 DFAB Cc1cncc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 1889211631 VTXMCRVYORFTGH-ZDUSSCGKSA-N 322.368 2.946 0 40 DFAB COc1cccc(-c2nc(CN3CCC(=O)CC3)cs2)c1 23466509 PQKBVGSDQDIJEE-UHFFFAOYSA-N 302.399 2.984 0 40 DFAB CS(=O)(=O)Nc1ccccc1NC(=O)CCc1ccsc1 24888222 ZTHFPXIRDQGMBA-UHFFFAOYSA-N 324.427 2.691 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](Oc2ccccn2)C1 238902647 RPYDRXCVOAYYDG-HNNXBMFYSA-N 316.788 2.957 0 40 DFAB O=C1[C@@H](n2cc(-c3ccccc3)nn2)CCN1Cc1ccccc1 2087076297 PNLDYRLIFCSVCX-SFHVURJKSA-N 318.380 2.919 0 40 DFAB Cc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1 252702 ZHNSMSJVEGSBFR-UHFFFAOYSA-N 319.364 2.528 0 40 DFAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 40108602 ZYCKIUWRIOCBMV-MRXNPFEDSA-N 321.465 2.823 0 40 DFAB Cc1nc(C(=O)N2CCCC[C@@H]2C)nn1-c1ccc(F)cc1 40474286 JKCHTCNJTQFATR-NSHDSACASA-N 302.353 2.729 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100950437 AZWIUJBEXVGWJB-STQMWFEESA-N 324.380 2.834 0 40 DFAB COc1cc([C@@H](O)[C@H](C)Oc2ccccc2OC)ccc1O 185093 QJGIDXOMZMVHIJ-GTNSWQLSSA-N 304.342 2.910 0 40 DFAB biogenic O=C(NC1CCCC1)NC1(C(F)(F)F)Oc2ccccc2O1 212687 UDEIBSQGKBCALL-UHFFFAOYSA-N 316.279 2.916 0 40 DFAB CCN(CC)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102439668 DAMVDDKJIRWYTN-MGBSGCIJSA-N 310.397 2.844 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)no1 21718838 GRVGYXLVXRTSHP-ZDUSSCGKSA-N 300.314 2.689 0 40 DFAB C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N1CCCCC1 41247669 YTGOCPINQQSQNX-NSHDSACASA-N 309.797 2.863 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)on2)cc1OC 42062916 PDECVBHBDXSTNM-CQSZACIVSA-N 316.357 2.978 0 40 DFAB CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23108713 ITYFGXMNVRFIIK-CZUORRHYSA-N 314.429 2.689 0 40 DFAB Cn1nnnc1-c1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 104899679 AYONFQOYQDFLDD-SGMGOOAPSA-N 311.389 2.642 0 40 DFAB COCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 42678863 OJTRNCWTEINUNM-UHFFFAOYSA-N 307.419 2.591 0 40 DFAB CCc1cc2c(=O)n([C@@H](CC)C(=O)OC(C)C)cnc2s1 148818 YRROJEVAMQYBDT-LBPRGKRZSA-N 308.403 2.923 0 40 DFAB CCN(CC)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 54847254 ZSVQTCIVFBZDMV-UHFFFAOYSA-N 306.454 2.587 0 40 DFAB O=C(OCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 555910 JENKMDHFRKMCEW-CQSZACIVSA-N 313.328 2.922 0 40 DFAB C[C@@H]1CN(C(=O)NCc2ccccc2OC(F)F)C[C@@H](C)O1 54976299 CAKQBVBPJVPUBI-GHMZBOCLSA-N 314.332 2.607 0 40 DFAB CCN1CC[C@@H](CNCc2cc(Cl)c3c(c2)OCCO3)C1 37644284 NHGRFSVTZNPDCG-LBPRGKRZSA-N 310.825 2.543 0 40 DFAB COc1ccccc1OCC(=O)Nc1ccn(-c2ccccc2)n1 43054567 LQZUEWIXVXOOFD-UHFFFAOYSA-N 323.352 2.898 0 40 DFAB C[C@H](c1nc(Cc2ccccc2)no1)[S@@](=O)c1nccs1 78987557 VQMHUPSIZRFKOZ-UZJPJQLHSA-N 319.411 2.986 0 40 DFAB COc1ccc([C@@H](O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 1639234 AZJHEHMCDGFJGU-VIFPVBQESA-N 318.213 2.974 0 40 DFAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](c3nccs3)C2)n1 72297158 WMCDPWKJCNCTBS-SNVBAGLBSA-N 322.821 2.915 0 40 DFAB COc1cccc(OC)c1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 3893573 BQFMWXUYIDVNHD-KKUMJFAQSA-N 323.433 2.706 0 40 DFAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3ccccc3)c1)CCC2 55546529 QRDUVTUDKLXPIW-UHFFFAOYSA-N 317.366 2.674 0 40 DFAB Cc1noc(CSc2nncn2-c2cccc(Cl)c2)n1 12591423 FAMXGNTWHCLRLL-UHFFFAOYSA-N 307.766 2.904 0 40 DFAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)CC(=O)N2 4944165 SGKJJVGHYCOQNG-NSHDSACASA-N 315.398 2.746 0 40 DFAB CCCc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)[nH]n1 25461098 QNCMEMHDCZNSFY-UHFFFAOYSA-N 312.377 2.940 0 40 DFAB O=C(Oc1ccc(-c2nnco2)cc1)c1cn2ccccc2n1 7738361 RVBVFDIDLFKIGV-UHFFFAOYSA-N 306.281 2.604 0 40 DFAB O=C(NCCC1=CCCCC1)NCc1nc(-c2ccco2)n[nH]1 72275833 CABZYMGZESTENE-UHFFFAOYSA-N 315.377 2.754 0 40 DFAB COc1ccc(CCNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1OC 107362276 UFGLZDPANGENTA-WRFANHODSA-N 315.413 2.655 0 40 DFAB CCn1c(CNC[C@@H]2COc3ccccc3O2)nc2ccccc21 43926290 VZUKRWHZUWSANY-CQSZACIVSA-N 323.396 2.986 0 40 DFAB CC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 95437505 VNUBKMIHKLMXMD-MAZHCROVSA-N 318.417 2.754 0 40 DFAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cnc2ccccn12 95416192 NZISCWYYLLDDTM-UHFFFAOYSA-N 322.343 2.927 0 40 DFAB CCOCc1ccccc1CNC(=O)CC(C)(C)CC(=O)O 27056456 WITCXQKXHRTVSW-UHFFFAOYSA-N 307.390 2.730 0 40 DFAB Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)oc2ccccc12 58292850 KFAJDZCAIXPHCD-UHFFFAOYSA-N 318.373 2.996 0 40 DFAB CC(C)C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O 2103779 XGNDDBSZBDZNDK-HNNXBMFYSA-N 317.389 2.509 0 40 DFAB biogenic CCCc1nc(N2CCSCC2)c2c(n1)c(C)nn2CC 57355864 JWAYLLBAUQPPIN-UHFFFAOYSA-N 305.451 2.660 0 40 DFAB OCCCc1nc2ccccc2n1C[C@@H](O)c1ccccc1F 58356082 SVYJQARHMYTJDA-QGZVFWFLSA-N 314.360 2.834 0 40 DFAB O=C(CSC[C@@H](O)c1ccccc1)NCc1ccccc1 58341574 AOOZBGXOWYOEIT-MRXNPFEDSA-N 301.411 2.770 0 40 DFAB Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cn1 58342559 ZMCCCCXLQSMTJT-QWHCGFSZSA-N 320.190 2.925 0 40 DFAB CC(C)Cc1nc(CSc2nncn2Cc2ccco2)no1 45091561 QPVNDTKKRGIMOB-UHFFFAOYSA-N 319.390 2.793 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)CC(C)C)n(CCO)n1 84247670 MZWZQISRRXDAQG-UHFFFAOYSA-N 301.390 2.835 0 40 DFAB Cc1ccc(CN2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)o1 107746004 XFGWSZISGUGXSC-BJWYYQGGSA-N 311.385 2.690 0 40 DFAB COc1ccccc1/C=C1/SC(=O)N(CCCC(=O)O)C1=O 2421492 BGKUVYFJLAKDCH-FMIVXFBMSA-N 321.354 2.596 0 40 DFAB CCCOc1cccc(CNC(=O)N2CCC[C@]2(C)CO)c1 97102880 VCOQUFDCFYEQMJ-QGZVFWFLSA-N 306.406 2.532 0 40 DFAB CCN(CC(=O)Nc1cc(C)no1)Cc1c(F)cccc1F 59409862 QOYFRBTTWIHGFQ-UHFFFAOYSA-N 309.316 2.722 0 40 DFAB Cc1cc(C)nc(NC(=O)c2ccn(COc3ccccc3)n2)n1 27971830 DQNMIIDTAZIIFD-UHFFFAOYSA-N 323.356 2.579 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2Cl)cc1 20110344 FHRSSVAITNPAAJ-UHFFFAOYSA-N 324.789 2.548 0 40 DFAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1 12138361 JEOFKMZSPKLHQY-LFYBBSHMSA-N 310.353 2.836 0 40 DFAB COc1cc(C)c([C@@H](C)NC(=O)C[C@H]2CCCO2)cc1OC 47109984 CUZNIRQLQIYDCI-CHWSQXEVSA-N 307.390 2.759 0 40 DFAB Cc1cccc2c(=O)n(CCCC(=O)NCCC(C)C)cnc12 12605505 NELVTAKRAHUILV-UHFFFAOYSA-N 315.417 2.647 0 40 DFAB CCS[C@@H](C)CC1CC(=O)C(C(=O)c2cc(C)no2)C(=O)C1 104424053 GQLQSFUEKPGRPP-NLTNOIMHSA-N 323.414 2.862 0 40 DFAB CCOc1ccccc1NC(=O)[C@@H](NC(C)=O)C1CCCC1 9113695 AVEGENWPDJCSDP-INIZCTEOSA-N 304.390 2.719 0 40 DFAB CCC(CC)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 13061351 PNEHJSVRTZLVEA-UHFFFAOYSA-N 323.868 2.767 0 40 DFAB O=C1C[C@H](NC(=O)N2CCc3ccccc32)CN1c1ccccc1 4359889 MGUXQFTWSOODRT-HNNXBMFYSA-N 321.380 2.564 0 40 DFAB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 13985113 IRQWGJJEOAIXEW-LLVKDONJSA-N 318.329 2.566 0 40 DFAB CCn1c(C(=O)N(CC(N)=O)C2CCCC2)cc2ccccc21 65491917 FXFYHQNUXCWPDM-UHFFFAOYSA-N 313.401 2.531 0 40 DFAB Cc1cc(OCC(=O)NC(C)C)c2c(C)c(C)c(=O)oc2c1 5323892 WHPGZPYMTBRKIU-UHFFFAOYSA-N 303.358 2.622 0 40 DFAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 65612358 NNZAQTYNXDQVNZ-GFCCVEGCSA-N 322.352 2.649 0 40 DFAB CC[C@](C)(NC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC 65610011 ZOTOSXNZZZRULH-KRWDZBQOSA-N 323.389 2.554 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2cc(C)sc2C)CC1 65613500 KSJRIZXHLVNXBK-UHFFFAOYSA-N 318.446 2.996 0 40 DFAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1ccc(Cl)cc1 14166148 VTFROHRJUPPPSG-MRVPVSSYSA-N 323.805 2.923 0 40 DFAB Cc1nc2ccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)cc2o1 66158934 ZHNPGVNXDDUASJ-CQSZACIVSA-N 314.389 2.838 0 40 DFAB Cc1cscc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 95446007 RYFNFLXFLUIFCC-CYBMUJFWSA-N 317.414 2.668 0 40 DFAB C[C@@H](NCc1ccc(F)c(CO)c1)c1ccc2c(c1)OCO2 90779500 RQUNTGHXXWQGAG-LLVKDONJSA-N 303.333 2.898 0 40 DFAB Cc1cc(N(C)C)nc(N2CCC[C@H]2c2c(C)nn(C)c2C)n1 71859642 DWOKHUAIVRDFGZ-AWEZNQCLSA-N 314.437 2.543 0 40 DFAB C[C@H](OC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O 16403101 ZHJTVVFDUBGONL-ZDUSSCGKSA-N 322.364 2.720 0 40 DFAB C[C@@H]1CCc2c(sc3ncnc(N4CCC(O)CC4)c23)C1 8064037 YZSONBYMBJUCGB-SNVBAGLBSA-N 303.431 2.777 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1F 71858760 OEKCCDMIXWQYDY-UHFFFAOYSA-N 314.295 2.680 0 40 DFAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@H]1CC=CCC1 71858729 BBVYLMWIGWTZLD-LBPRGKRZSA-N 300.337 2.583 0 40 DFAB COc1c(Cl)cc(NC(=O)Cn2cccn2)cc1Cl 71853497 NGRWFSQPDKZQME-UHFFFAOYSA-N 300.145 2.837 0 40 DFAB O=C(c1ccccc1NCc1ccccc1)N1CCC[C@@H](O)C1 71896897 VHDRENKHMTVETE-MRXNPFEDSA-N 310.397 2.896 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)c1 70013786 PCANBFCZDNHWRX-FUHWJXTLSA-N 309.413 2.913 0 40 DFAB O=C1COc2cccc(OCc3nc(-c4ccccc4)no3)c2N1 91600512 OMYFWOQLRPMODJ-UHFFFAOYSA-N 323.308 2.647 0 40 DFAB COc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 83877689 HYHNNONZLKIUJI-CZUORRHYSA-N 303.406 2.643 0 40 DFAB COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2ccco2)nc1C 69580696 KSGTZVDCUBGALH-NSHDSACASA-N 316.357 2.531 0 40 DFAB COC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2ccco2)nc1C 69580694 KSGTZVDCUBGALH-LLVKDONJSA-N 316.357 2.531 0 40 DFAB c1coc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)cs2)c1 69656152 KIOIBHVJOPBSDQ-CYBMUJFWSA-N 315.402 2.659 0 40 DFAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2Cn2cccn2)c(C)o1 69632030 PPRXNHOBSACLHO-HIFRSBDPSA-N 301.390 2.888 0 40 DFAB Cc1cnn(CCC(=O)N(CCc2cccc(F)c2)C2CC2)c1 70957788 IVBJKWJZVJQXFB-UHFFFAOYSA-N 315.392 2.954 0 40 DFAB O=C(O)c1ccccc1[C@@H]1CCN(C(=O)CCc2cccnc2)C1 72166847 AFXKPRHEHSHQOH-OAHLLOKOSA-N 324.380 2.729 0 40 DFAB O=C(Cc1ccccc1C(=O)O)Nc1cc(-c2ccccc2)n[nH]1 71280020 YMEKVXUGURGDQE-UHFFFAOYSA-N 321.336 2.956 0 40 DFAB Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 9883572 CHXAJJHLLGFSHG-SECBINFHSA-N 308.721 2.820 0 40 DFAB O=C(NCCc1cccc2ccccc12)NC[C@H]1CCC[C@@H]1O 73677854 IFBPUHBNQNIDQQ-AEFFLSMTSA-N 312.413 2.843 0 40 DFAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CCC(C(=O)O)CC1 95989490 BWPUYKXKAMMVIC-TUUUFIMRSA-N 307.415 2.920 0 40 DFAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(F)ccc1F 95980359 MJRKEKXINVKKMC-CQSZACIVSA-N 321.327 2.518 0 40 DFAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C2 95964932 MNJNEPUAUPMDIG-IPJQOSJUSA-N 308.422 2.535 0 40 DFAB Cc1c(C(=O)N2CCCC2)nnn1-c1ccc(Cl)cc1F 89556321 FNIVULTUYLGANX-UHFFFAOYSA-N 308.744 2.604 0 40 DFAB CCN(C(=O)CSCc1cc2ccccc2[nH]c1=O)C1CC1 75610374 UEXZMSHPYJRXNZ-UHFFFAOYSA-N 316.426 2.772 0 40 DFAB COC1CCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 75805328 NCCNZKBAAKDHFU-ZDUSSCGKSA-N 308.447 2.988 0 40 DFAB Cc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 76068452 STWWRNLZDBIOSR-CQSZACIVSA-N 315.398 2.762 0 40 DFAB Cc1ccc2c(c1)nc(CNC1CCN(CC3CC3)CC1)n2C 546717118 XFONRPQLTGIDBW-UHFFFAOYSA-N 312.461 2.846 0 40 DFAB O=S(=O)(c1ccc(NCc2cccnc2)cc1)C(F)(F)F 35233194 KKENUAQFOYFJSF-UHFFFAOYSA-N 316.304 2.987 0 40 DFAB COc1cc(OC)c([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1Cl 183578610 WXHZXOXLUCMELM-GRYCIOLGSA-N 311.809 2.945 0 40 DFAB CN(C)[C@H](CN[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(C)c1 129967409 JZZRGRMMCCWNPA-BFHYXJOUSA-N 318.387 2.734 0 40 DFAB CCOC(=O)CCSc1nc(N)c2c(C)c(C)sc2n1 35682014 VNUCLBVYWRMZRV-UHFFFAOYSA-N 311.432 2.936 0 40 DFAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)c(C)n1 72386045 SBQCSOMHGPPNQC-ZDUSSCGKSA-N 316.430 2.645 0 40 DFAB Cn1nc(C(=O)O)c2c(-c3ccc(-n4ccnc4)cc3)ccnc21 72339609 FKGJIMPUXDHPRJ-UHFFFAOYSA-N 319.324 2.519 0 40 DFAB BrC1(Br)CC12C1[C@H]3C4C5[C@H](C2[C@H]43)[C@@H]51 71785807 SAJYWOSOSGXRGO-DAMRLSMZSA-N 302.009 2.860 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)c1cc2ccc(F)cc2n1C 40789170 OTAPUCPFWBNOPJ-UHFFFAOYSA-N 300.337 2.920 0 40 DFAB Cc1nc(-c2cccc(OCCO[C@@H]3CCCCO3)c2)no1 225663953 HVSHFRDJYNJLKO-OAHLLOKOSA-N 304.346 2.967 0 40 DFAB COc1cc([C@@H](C)N[C@@H](C)C2CCC2)ccc1S(C)(=O)=O 90856920 FBNXESXHARQLQD-NWDGAFQWSA-N 311.447 2.938 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@H]2CCC[C@@H]2SC)c1C 96439900 LJEBUNREZLCOHY-KBPBESRZSA-N 310.467 2.603 0 40 DFAB Cc1ncc(C(=O)N[C@H](C)c2cnn(C)c2)c(Cl)c1Cl 96486799 OCAKAWKWXNLHTD-SSDOTTSWSA-N 313.188 2.921 0 40 DFAB c1coc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c1 96206607 RMXXPGGLNVTDMI-OAHLLOKOSA-N 301.390 2.535 0 40 DFAB Cc1ccccc1CNC(=O)c1cncc([C@@H]2CCCN(C)C2)n1 257342512 ZOZYIUOCTAYYDN-MRXNPFEDSA-N 324.428 2.524 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)c3cccn3C)CC2)s1 257244487 ILOAGUZKRHYRCJ-UHFFFAOYSA-N 303.431 2.984 0 40 DFAB Cc1ccc(N2CCC[C@@H](N(C)Cc3cnc(C)s3)C2)nn1 71859819 POVAXSXKCIGTDA-CQSZACIVSA-N 317.462 2.651 0 40 DFAB Cc1cnc(OC[C@H]2CCCN(C(=O)CC3CCCC3)C2)nc1 1775996010 QRUIOVYKKWFYCB-INIZCTEOSA-N 317.433 2.983 0 40 DFAB CCN(Cc1cc(=O)n2nc(C)sc2n1)c1cccc(F)c1 53771434 HOTFWIRTPXEWRI-UHFFFAOYSA-N 318.377 2.625 0 40 DFAB COCC1CCN(C(=O)c2ccc3[nH]c(=S)oc3c2)CC1 73611452 KVCOQUCCJXSHET-UHFFFAOYSA-N 306.387 2.989 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)ccc1C(N)=O 58192262 AKVYXOXWKAFRLJ-GXFFZTMASA-N 324.808 2.513 0 40 DFAB COc1c(CNCc2cc(-c3ccccc3)no2)c(C)nn1C 58420736 HKULBAOOMPCCAA-UHFFFAOYSA-N 312.373 2.682 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1c1ccco1 84290460 NOWRKTGEMZRVRU-KBPBESRZSA-N 309.369 2.858 0 40 DFAB Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1cnn(C)c1 12232603 VCPYFDOPPSKSOV-CQSZACIVSA-N 302.378 2.782 0 40 DFAB CCN(CC)Cc1ccc(CNc2ncnc3[nH]ncc23)cc1 12556917 WUMCSBQLSNQIEL-UHFFFAOYSA-N 310.405 2.807 0 40 DFAB C[C@H]1CCC[C@@H](NC(=O)CN(C)CCOc2ccccc2)[C@@H]1C 12774849 VTZICEVSZGJKPF-LZLYRXPVSA-N 318.461 2.938 0 40 DFAB C[C@H]1C[C@@H](C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1 12929718 YKXHFMRTLRAQCM-BETUJISGSA-N 322.836 2.964 0 40 DFAB Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H](C)N2CCC(C)CC2)n1 19573057 MMZFLIRCMSJTHH-IAGOWNOFSA-N 320.481 2.688 0 40 DFAB CC1CCN(CC(C)(C)n2cncc2-c2cnn(C)c2)CC1 19719502 UCIRDAGKAFCXRA-UHFFFAOYSA-N 301.438 2.751 0 40 DFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1COC2 101466951 VKEXZMDRNQPFKE-STQMWFEESA-N 309.793 2.887 0 40 DFAB Oc1nc(-c2cccnc2)nc2c1CCN(C[C@@H]1CC=CCC1)C2 19340031 IRGBHZOQDRZTIL-CQSZACIVSA-N 322.412 2.959 0 40 DFAB CCCN(CC1CC1)C[C@@H](O)COCc1ccccc1OC 6941265 GZRUBNRKBZWSIV-QGZVFWFLSA-N 307.434 2.695 0 40 DFAB Cc1ccc(Oc2ncc(CN3CCN(C)CC3)s2)cc1 20219033 ASPOBNAWQARVKG-UHFFFAOYSA-N 303.431 2.991 0 40 DFAB C[C@@H](C[S@](C)=O)N(C)CCCOc1ccc(Cl)cc1 545226324 AZLSBASBIPBHSQ-BUXKBTBVSA-N 303.855 2.808 0 40 DFAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccccc1 4317551 IKXYZQQJTDYTOT-UHFFFAOYSA-N 304.371 2.960 0 40 DFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC(C)C 4853527 KYVOYUSDOKIQKQ-UHFFFAOYSA-N 316.357 2.505 0 40 DFAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 30944395 UVXJXZCYEYDUNY-CQSZACIVSA-N 300.402 2.812 0 40 DFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1C 20373367 UDSXFEXILVIKGK-UHFFFAOYSA-N 324.428 2.703 0 40 DFAB C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)O1 40526416 XGKCUKVUNSMHJI-UWVGGRQHSA-N 300.305 2.929 0 40 DFAB CC(C)c1ccc(CS(=O)(=O)c2nnc(C3CC3)n2C)cc1 40555245 MMKUKGGLSBGESD-UHFFFAOYSA-N 319.430 2.790 0 40 DFAB CCc1noc(C)c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 32531509 PGJFGFVFTBEYEE-UHFFFAOYSA-N 316.313 2.729 0 40 DFAB CC(C)(C)c1noc(CN2CCN(c3ccccc3)CC2)n1 41282483 QURWOKIBTGXXME-UHFFFAOYSA-N 300.406 2.689 0 40 DFAB COCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 32904898 PALDJYIUMWYJNH-UHFFFAOYSA-N 302.296 2.891 0 40 DFAB CC(C)NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 561025 FZTMAZMQYCTEHR-UHFFFAOYSA-N 310.353 2.990 0 40 DFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1F 53819761 AKFYKWWDUBHYLZ-SECBINFHSA-N 312.341 2.686 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C1CC1 23040388 QIGDCEFPCMAXOY-HEHGZKQESA-N 302.418 2.746 0 40 DFAB CN(C)C(=O)CCNC(=O)c1ccccc1Oc1ccccc1 47513971 AHPGSIOVFSVRSU-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)cc1 798424 ZRUVQYIKNYORSX-NSHDSACASA-N 303.387 2.506 0 40 DFAB COCc1nc(C)cc(Sc2nc(-c3cccs3)n[nH]2)n1 78953669 CBJHGGYIYXBPTH-UHFFFAOYSA-N 319.415 2.929 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)Nc2ccc(Cl)nc2)c(C)o1 78936771 PEQRDZNJTORDCD-HNNXBMFYSA-N 323.780 2.974 0 40 DFAB COC(=O)CN(CC(=O)Nc1ccc(C)cc1C)C1CCCC1 79110787 ZMQPOIOCDZMQQV-UHFFFAOYSA-N 318.417 2.660 0 40 DFAB CCCn1nc(C(=O)NCC2CCCCCCC2)ccc1=O 79179323 YNKKRTBDARHCTR-UHFFFAOYSA-N 305.422 2.744 0 40 DFAB COc1ccc(NC(=O)C[C@H]2CC(=O)Oc3ccccc32)cn1 79193080 WIPITUUAXHLRBP-NSHDSACASA-N 312.325 2.512 0 40 DFAB biogenic CCN(CC)CCOC(=O)c1cccc(Br)c1 3160043 KEYZRIMJZVBLPH-UHFFFAOYSA-N 300.196 2.948 0 40 DFAB COc1ccccc1OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 6742708 MLZNYUVTRHOJPH-SJORKVTESA-N 304.342 2.723 0 40 DFAB COc1cc(C(=O)Nc2cnn(C)c2)ccc1OCC(C)C 25304943 PHAMPGCRFRBZKM-UHFFFAOYSA-N 303.362 2.716 0 40 DFAB CN1CCCN(CCCN[C@H](Cc2ccccc2)C2CC2)CC1 107525360 NHSWTTFEGRSKGE-HXUWFJFHSA-N 315.505 2.625 0 40 DFAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cccc(C)c1C 51316369 FPVIEBMDHVGFQS-UHFFFAOYSA-N 324.380 2.976 0 40 DFAB COc1ccc(-c2ccnc3nc(SC)nn23)cc1OC 57530944 IOLGNMUQGYLKGV-UHFFFAOYSA-N 302.359 2.530 0 40 DFAB COc1cccc(C2(C(=O)NC3=NCCS3)CCCC2)c1 108670216 WIDBPOLFPLYNSG-UHFFFAOYSA-N 304.415 2.726 0 40 DFAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 103837345 CHQACNHFEZBGIP-IPJQRFBASA-N 315.413 2.514 0 40 DFAB COc1ccc(C)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58344899 GKWCCMKDYLOTEE-DOTOQJQBSA-N 312.369 2.783 0 40 DFAB Cc1noc(CCNC(=O)c2cc3c(s2)CCCCC3)n1 58357477 VIJHPDGLOPYBQI-UHFFFAOYSA-N 305.403 2.681 0 40 DFAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc[nH]c2=O)c(C)c1C 58364457 YOLKPBDNWYSXCZ-UHFFFAOYSA-N 320.414 2.718 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 24014320 WRQTWCDGJCBJIG-JJRVBVJISA-N 300.402 2.898 0 40 DFAB COc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 100260870 CLKYLHQFRPESRB-IRXDYDNUSA-N 303.358 2.756 0 40 DFAB COc1ccnc(NCc2cccnc2OC2CCCC2)n1 29626453 PCINDCYPDGIDEZ-UHFFFAOYSA-N 300.362 2.814 0 40 DFAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 60379300 CFUDANNUJSGKAM-INIZCTEOSA-N 315.760 2.702 0 40 DFAB O=C(OCc1ccccn1)c1ccc(N2CCCCC2=O)cc1 37122221 BQFWCNPINNBVKW-UHFFFAOYSA-N 310.353 2.956 0 40 DFAB O=C(NCc1cccnc1)c1nc(-c2ccc3cc[nH]c3c2)no1 12324753 APWPACOUQDPIDO-UHFFFAOYSA-N 319.324 2.543 0 40 DFAB C[C@@H]1SCCN(C(=O)Nc2ccc(C(F)(F)F)nn2)[C@@H]1C 97164556 LFMKXZKGVIKIFV-SFYZADRCSA-N 320.340 2.853 0 40 DFAB CC(C)Sc1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1 48269663 NZFZGJBIDDOLBJ-UHFFFAOYSA-N 308.447 2.832 0 40 DFAB Cc1ccccc1NC(=O)CCn1cnc2sccc2c1=O 12821811 RWGLFSFJSUVODZ-UHFFFAOYSA-N 313.382 2.795 0 40 DFAB O=C(COc1ccc2c(c1)OCCO2)Nc1cccc(F)c1 12928477 SIONOWKOOZDCDI-UHFFFAOYSA-N 303.289 2.614 0 40 DFAB O=C(c1ccc[nH]1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245675 ZZAKPEYIRCDFTP-JSGCOSHPSA-N 324.302 2.982 0 40 DFAB C[C@@H](O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 13957416 ACTRCWNXSQWOJF-SECBINFHSA-N 305.355 2.825 0 40 DFAB CC(=O)c1ccccc1NC(=O)CSC(=S)N1CCCC1 5287310 KNTWJEUYVILQKI-UHFFFAOYSA-N 322.455 2.942 0 40 DFAB CCn1c(C)c(C(=O)NC[C@@H]2CCCO2)c2cc(OC)ccc21 5354702 BUHHAVKNHBZCRH-AWEZNQCLSA-N 316.401 2.887 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 6422132 JEJRSCVCKTVWCL-UHFFFAOYSA-N 319.744 2.971 0 40 DFAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65815123 RSISJFKIBWJJLV-RNONSGAXSA-N 318.461 2.815 0 40 DFAB O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1cccnc1 6756717 UJNQCAIRIJQUPS-UHFFFAOYSA-N 304.305 2.737 0 40 DFAB COC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 9314405 UONCHYSRWPAFQQ-UHFFFAOYSA-N 324.229 2.793 0 40 DFAB Cc1cc(C)cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 9456152 CPOKGCXQETVETE-UHFFFAOYSA-N 321.380 2.812 0 40 DFAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(N)=O 7160882 JVKLJUWDMWYDQW-ZCFIWIBFSA-N 301.293 2.615 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)N[C@H]1CCO[C@@H]1c1ccccc1 96446981 PLQHJDSVZAZBDQ-LZLYRXPVSA-N 324.380 2.950 0 40 DFAB CC1(C)C[C@@H](NC(=O)Nc2cnc(C3CC3)nc2)C(C)(C)O1 96496499 COYRQHOLVZYHBU-GFCCVEGCSA-N 304.394 2.822 0 40 DFAB O=C(Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCCO1 9592050 OSRRADLKUJQPPU-CYBMUJFWSA-N 305.765 2.702 0 40 DFAB NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 7951935 YPZDDWHUYSEXHQ-LBPRGKRZSA-N 301.820 2.875 0 40 DFAB C[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1O)n1cncn1 81459999 LMJASRXRGBLYHR-CYBMUJFWSA-N 322.368 2.774 0 40 DFAB CC(=O)N(C)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71892795 LMXKSUMJHAOKDC-UHFFFAOYSA-N 318.373 2.643 0 40 DFAB COCCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1 8190554 LHJRCNJGHXIVHR-UHFFFAOYSA-N 309.366 2.966 0 40 DFAB CCn1nc(C)c(CN(C)C(=O)c2ccc3c(c2)OCO3)c1C 28573430 FEHJCFAUEWRGNH-UHFFFAOYSA-N 315.373 2.521 0 40 DFAB O=C(O)CC[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 73647531 KWFAWVZFWYLVBE-SECBINFHSA-N 305.277 2.983 0 40 DFAB Cc1c([C@H]2CCCN2C(=O)c2cc(F)ccc2O)cnn1C 91699922 KRTHOYXVMAKUTN-CQSZACIVSA-N 303.337 2.551 0 40 DFAB CC(C)(C)[S@@](=O)CCNC(=O)C1(c2ccc(F)cc2)CC1 71900297 UIBKHVANGSCOKP-OAQYLSRUSA-N 311.422 2.521 0 40 DFAB CC(C)(C)[S@](=O)CCNC(=O)c1nccc2ccccc12 71900266 APXFNXHISGDCIN-NRFANRHFSA-N 304.415 2.512 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(Cl)cc2)n1 84105022 RRTFYQNXKXIUBY-ZDUSSCGKSA-N 305.765 2.952 0 40 DFAB Cc1ccc(CCC(=O)N(C)c2ccccc2S(C)(=O)=O)o1 84195361 GEQZMVLZNUJXDT-UHFFFAOYSA-N 321.398 2.587 0 40 DFAB COCCC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 72089166 MWSFGFNFSMOZFJ-OAHLLOKOSA-N 304.434 2.571 0 40 DFAB COc1ccc2nc(C)cc(S[C@H](CC(=O)O)C(=O)O)c2c1 8991747 XTVOISJTXQNHKC-CYBMUJFWSA-N 321.354 2.572 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 97048173 ZJBZTSVSSNTBNA-LBPRGKRZSA-N 319.796 2.876 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](c2nccs2)C1 97200037 TXSNFKIFIDJUEW-KOLCDFICSA-N 306.391 2.538 0 40 DFAB COc1ccc(Br)c(CN[C@@H]2CCCOC2)c1 87788289 KPCFFWLSOVAUEQ-LLVKDONJSA-N 300.196 2.726 0 40 DFAB Cc1c(Br)cccc1C(=O)N1CCCC[C@@H]1CN 88441956 VIYHREBPBILJCM-LLVKDONJSA-N 311.223 2.711 0 40 DFAB O=C(c1cc(C(F)(F)F)ccc1F)N1CCc2[nH]ncc2C1 95965985 OYWIZFSGSZILMZ-UHFFFAOYSA-N 313.254 2.766 0 40 DFAB CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 75111061 SYDVOKDUNNAMRL-UHFFFAOYSA-N 310.825 2.709 0 40 DFAB COC(=O)c1ccsc1NC(=O)CCCc1ccccn1 75137841 DKCMDJNPXHMRRN-UHFFFAOYSA-N 304.371 2.891 0 40 DFAB Cc1nc([C@H](C)NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cs1 89709055 XQTRXGCGNFMZQA-VHRBIJSZSA-N 311.451 2.873 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc2nc(N(C)C)oc2c1 89875978 VCIHMGGTRSSDOL-UHFFFAOYSA-N 314.349 2.878 0 40 DFAB O=C(NCc1ccco1)N1CCCC[C@H]1c1nc(C2CC2)no1 67350608 USDWQHKFJOSEQJ-ZDUSSCGKSA-N 316.361 2.977 0 40 DFAB O=C(NC(=S)c1ccccc1)N(CCO)c1ccccc1 408733694 ZURNAEKXINYDFU-UHFFFAOYSA-N 300.383 2.571 0 40 DFAB Cc1cnc(NC(=O)COC(=O)c2cccc(Cl)c2)s1 409213129 SOTZISFTEDJMRF-UHFFFAOYSA-N 310.762 2.900 0 40 DFAB CC[C@](NC(=O)c1ccc[nH]1)(C(=O)O)c1ccc(Cl)cc1 507309500 CZFCPUJHCCKWSP-OAHLLOKOSA-N 306.749 2.788 0 40 DFAB Cc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)no1 30890465 MAKIHPSMDDQPEL-UHFFFAOYSA-N 304.331 2.666 0 40 DFAB O=C(NCCc1nc(-c2cccs2)no1)c1ccc(F)cc1 35672910 BORNYHFYILRWSU-UHFFFAOYSA-N 317.345 2.910 0 40 DFAB CC[C@]1(C)CN(C(=O)N[C@@H](COC)c2ccccc2)CCO1 188248490 LESJFMWTMANKHN-DOTOQJQBSA-N 306.406 2.585 0 40 DFAB CC(=O)N1CCC[C@H](c2nc(C)c(Br)s2)C1 72343541 OQBAZJWBMIPVNX-VIFPVBQESA-N 303.225 2.940 0 40 DFAB CCCN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 72216601 FKONYWIWMBVIEX-KRWDZBQOSA-N 302.466 2.770 0 40 DFAB O=C(O)CSC[C@H]1CCCCN1C(=O)OCc1ccccc1 79392124 FNLGPSHWIQFKSU-CQSZACIVSA-N 323.414 2.996 0 40 DFAB CCCCc1cc(NC(=O)CCn2c(C)c(C)sc2=O)[nH]n1 77613658 LGDHDCJBPZADHO-UHFFFAOYSA-N 322.434 2.621 0 40 DFAB Cc1c(C(=O)Nc2n[nH]c(C(C)C)n2)c(=O)oc2ccccc12 78709036 LLFGOLZVAXGPEX-UHFFFAOYSA-N 312.329 2.595 0 40 DFAB C[C@@H](O)CN[C@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 132172660 TYMUIHIUBWATRO-QPSCCSFWSA-N 312.454 2.525 0 40 DFAB CCN1CCN(c2c(N)cc(Br)cc2Cl)CC1 45885936 GYNPPTTXEIYTJV-UHFFFAOYSA-N 318.646 2.827 0 40 DFAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccc(F)cc1 195575309 WJDAREFJUUKLNW-BDJLRTHQSA-N 323.389 2.763 0 40 DFAB O=C(Cc1nc2cc(F)c(F)cc2c(=O)[nH]1)c1cccc(F)c1 194565154 IEVXHDOYTQGBFM-UHFFFAOYSA-N 318.254 2.766 0 40 DFAB COc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F 192670700 OUEQWXCKIRDRAQ-UHFFFAOYSA-N 301.383 2.835 0 40 DFAB Cc1nc(CN2CCCN(C(=O)OCC(C)C)CC2)cs1 96413225 BRVYFXVORNVDSY-UHFFFAOYSA-N 311.451 2.752 0 40 DFAB CN(C)[C@@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 144786662 LNMSDHBGVMTUPU-QGZVFWFLSA-N 316.376 2.624 0 40 DFAB C[C@@H]1CN(C(=O)NCCOc2cccnc2)[C@@H]1c1ccccc1 96440312 HPSHHNNHWHQEAY-PBHICJAKSA-N 311.385 2.863 0 40 DFAB CC(C)[C@@H](O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1 96434718 FLXOSGJCARKXHA-HNNXBMFYSA-N 320.368 2.540 0 40 DFAB Cc1nc(CNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)no1 94151418 ZBVZZDIFENACPZ-CQSZACIVSA-N 323.780 2.751 0 40 DFAB C[C@H](Oc1ccc(OCc2cccnc2Cl)cc1)C(N)=O 96429012 SOMFDJXRGZTCDW-JTQLQIEISA-N 306.749 2.567 0 40 DFAB CC(C)OCc1ncn2c1CN(C(=O)c1cccs1)CCC2 96259925 IQFYRUCRJLJKJM-UHFFFAOYSA-N 319.430 2.916 0 40 DFAB Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c(C(N)=O)c1C 96403806 ZVKLQYKADZAZLI-NXEZZACHSA-N 304.371 2.799 0 40 DFAB c1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)nc1 248116958 SNVFFAXHZCRTFL-YJBOKZPZSA-N 321.428 2.734 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cccc3ncccc23)C1 257251030 JPCOVEQKTWFUPQ-CYBMUJFWSA-N 306.369 2.896 0 40 DFAB CCCn1ccc(C(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)n1 257305830 SRSWEFHTUPCPCL-UNEWFSDZSA-N 305.422 2.713 0 40 DFAB CCC(=O)N1CCC(c2cc(-c3nc(C)c[nH]3)nc(C)n2)CC1 257331626 XTPTVLDLUMYVLQ-UHFFFAOYSA-N 313.405 2.600 0 40 DFAB Cc1cnc([C@H]2CCCN(C(=O)CCn3nccc3C)C2)s1 257268160 MKMJHOGWISJDQO-AWEZNQCLSA-N 318.446 2.753 0 40 DFAB CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 27064577 ZNHOUWMTCHNHHT-QGZVFWFLSA-N 310.397 2.930 0 40 DFAB COc1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)cc1F 575607914 RRDGROANSVOHQN-UHFFFAOYSA-N 317.364 2.588 0 40 DFAB Cc1cnn(C2CN([C@@H](C)c3nnc(-c4ccccc4)o3)C2)c1 69592242 AUPKUDUVZAMGLF-ZDUSSCGKSA-N 309.373 2.859 0 40 DFAB CCc1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 44737491 DLDQGZJTUVYGTP-FZMZJTMJSA-N 305.353 2.906 0 40 DFAB Cc1cccc(N2CCN(c3ncnc4c3CCC4)CC2)c1C 76919799 RRQLAKQGRZIETA-UHFFFAOYSA-N 308.429 2.909 0 40 DFAB COCc1nc(C(=O)N(C)c2ccc(N(C)C)cc2)cs1 78493125 VDNPVIUKLDKUBG-UHFFFAOYSA-N 305.403 2.632 0 40 DFAB COC(=O)c1cc(Br)c(N)c(OC(F)(F)F)c1 199822750 HKMMWDHVTNEYRK-UHFFFAOYSA-N 314.057 2.717 0 40 DFAB Nc1c(C(=O)NCCc2ccccc2)cnn1-c1ccc(F)cc1 11692192 QMBGMWPSPNAZBN-UHFFFAOYSA-N 324.359 2.566 0 40 DFAB CCOc1ncccc1C(=O)Nc1ccc(C(=O)OC)s1 15193279 GUJTZNKTGBABJY-UHFFFAOYSA-N 306.343 2.581 0 40 DFAB CC(C)(C)NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NC(C)(C)C 17047511 CTJANHPKWFNZAR-CRWXNKLISA-N 306.450 2.644 0 40 DFAB CCCC[C@H](c1nnnn1C1CCCC1)N1CCN(CC)CC1 19502111 DJHKUOOTKPCUCH-MRXNPFEDSA-N 320.485 2.657 0 40 DFAB CCOC(=O)C1CCN(C(=O)Cc2ccc(CC)cc2)CC1 158176029 PXJRBDNBTLESIK-UHFFFAOYSA-N 303.402 2.593 0 40 DFAB CCCCCCOc1ccc(OS(=O)(=O)N(C)C)cc1 165335934 IQBLWRMJHCTTEQ-UHFFFAOYSA-N 301.408 2.831 0 40 DFAB CCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 7265327 IGOXEULQDXTSQY-UHFFFAOYSA-N 324.446 2.908 0 40 DFAB CC1(C)C[C@H]1C(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888843075 AVFJNMAJFQMMRC-OCCSQVGLSA-N 315.417 2.627 0 40 DFAB O=S(=O)(NCC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 24433344 FELFRDQGWMLIDL-LLVKDONJSA-N 323.336 2.553 0 40 DFAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1 37033 BBBCREXMBKFVEP-INIZCTEOSA-N 313.353 2.949 0 40 DFAB biogenic O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1 925480 SETSGNGLBTXKDS-UHFFFAOYSA-N 312.354 2.862 0 40 DFAB CNC(=O)c1cc(NC(=O)NCc2ccc(F)cc2)ccc1F 50086577 YWVIKGJJBNMJMU-UHFFFAOYSA-N 319.311 2.646 0 40 DFAB COc1ccccc1CNC(=O)NCCCOc1ccccc1 31037679 LSXYCCGBRGKLAH-UHFFFAOYSA-N 314.385 2.964 0 40 DFAB Cc1nc(CN2CCN(C(=O)c3sccc3C)CC2)cs1 31258969 UFTALRIECAQMIZ-UHFFFAOYSA-N 321.471 2.779 0 40 DFAB O=C(NCc1nnc2n1CCCC2)Nc1ccc(Cl)cc1 40540135 CSWMNYAPFFWIQX-UHFFFAOYSA-N 305.769 2.590 0 40 DFAB CCCCN(CC(N)=O)C(=O)Cc1ccc(Cl)cc1Cl 32925575 JPNHNYWZVFJYHQ-UHFFFAOYSA-N 317.216 2.650 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(N)=O)cc2)cc1 32901841 MARGAMSXZPSMKC-GFCCVEGCSA-N 313.357 2.892 0 40 DFAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1 32912584 VXCCXVUBPLLHDI-OAHLLOKOSA-N 322.311 2.829 0 40 DFAB C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2ccccc2)cc1 33004279 WIOSHACMOPSBCK-SUMWQHHRSA-N 308.381 2.809 0 40 DFAB c1ccc(-n2ncc3c2ncn2nc(-c4cccnc4)nc32)cc1 534709 SJEKQDZQTYNPLU-UHFFFAOYSA-N 313.324 2.525 0 40 DFAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 37549 YYTXSLFWIFLNDW-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB biogenic,in-vitro Cc1nnc2sc(-c3ccc(NC(=O)C(C)C)cc3)nn12 558674 OJHQYLOAPAYXSX-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB O=C(/C=C/c1ccccc1)OCC(=O)N1CCc2ccccc2C1 3248866 OATVWMXAEAUHDN-ZHACJKMWSA-N 321.376 2.828 0 40 DFAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccc(F)cc1F 5086799 FUQBAKCLXFYKAM-UHFFFAOYSA-N 319.307 2.998 0 40 DFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(Cl)c1 6608268 YQCVKYRDBUAJRP-UHFFFAOYSA-N 313.744 2.689 0 40 DFAB Cc1nnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1 7453741 HCEWREAZVVEBPN-UHFFFAOYSA-N 319.386 2.578 0 40 DFAB Cc1cccc(C(=O)OCC(=O)N[C@H](C)c2cccs2)c1O 7700666 IFIWNMSIJCXMFG-LLVKDONJSA-N 319.382 2.796 0 40 DFAB COc1ccc(C(=O)Nc2nc3c(OC)cccc3s2)cn1 9156227 RIUSMUYFZHQGHQ-UHFFFAOYSA-N 315.354 2.961 0 40 DFAB CCCNC(=O)[C@H](C)NC(=O)c1oc2ccc(F)cc2c1C 9484447 VQOGHJHUUAPESM-JTQLQIEISA-N 306.337 2.525 0 40 DFAB COc1ccc2cc(CNC(=O)Cn3nc(C)cc3C)ccc2c1 9942338 DFKXLIIAYZZKHX-UHFFFAOYSA-N 323.396 2.978 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NCCSc1ccccc1 10297494 RAJBFGHUSAKHCB-UHFFFAOYSA-N 317.458 2.878 0 40 DFAB CNC(=O)CCc1csc(NC(=O)c2ccc(Cl)cc2)n1 11835046 YDWHVCMMZCGPTP-UHFFFAOYSA-N 323.805 2.727 0 40 DFAB CN(Cc1c(F)cccc1Cl)C(=O)CSCCC(=O)O 12778927 APANWGQQVHPUDF-UHFFFAOYSA-N 319.785 2.645 0 40 DFAB COc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12781399 GBHSBNZRPQJJFN-UHFFFAOYSA-N 310.353 2.840 0 40 DFAB O=C(O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 13267037 USWWVGOGOVURIS-UHFFFAOYSA-N 305.305 2.905 0 40 DFAB COc1ccc(F)cc1CSc1nc(=O)[nH]c(C)c1C(C)=O 14142328 UVZATVSLSQIJFZ-UHFFFAOYSA-N 322.361 2.721 0 40 DFAB Cc1ccc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)cc1 19135589 ASOCSQHKOSGFOB-UHFFFAOYSA-N 308.341 2.678 0 40 DFAB Cc1nnc([C@H](CC(=O)O)c2cccc(Br)c2)o1 19784292 XOLPURQRBCKAEV-SNVBAGLBSA-N 311.135 2.747 0 40 DFAB Cc1ccc(OCc2cc(=O)n3nc(C)sc3n2)c(C)c1 20858936 ZMWFFFKCKDTZGI-UHFFFAOYSA-N 301.371 2.655 0 40 DFAB COC[C@@H](C)NC(=O)CNc1ccccc1Cc1ccccc1 25613836 DLUMHKGNISPHMG-OAHLLOKOSA-N 312.413 2.840 0 40 DFAB CCn1cc(/C=C\C(=O)Nc2nc3ccccc3n2C)c(C)n1 27489454 APYXJNIJRPOLOT-KTKRTIGZSA-N 309.373 2.750 0 40 DFAB Cc1cc(NC(=O)c2n[nH]cc2Cl)n(-c2ccc(F)cc2)n1 28241620 BNFUQDNSYNGIGW-UHFFFAOYSA-N 319.727 2.949 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3O)ccc21 28642722 PWNDAVTXHJLSGU-UHFFFAOYSA-N 310.353 2.862 0 40 DFAB O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccoc2)CC1 32765569 KFXBIVIBEWYZAY-UHFFFAOYSA-N 318.417 2.971 0 40 DFAB Cc1ccccc1NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1 32873962 ZMWRFGRSQIXGFL-GFCCVEGCSA-N 318.402 2.695 0 40 DFAB O=c1c2ccccc2nc2sc(NCc3ccccc3)nn12 34133210 HFLLPTQBMRTXIU-UHFFFAOYSA-N 308.366 2.916 0 40 DFAB CC(C)(C)OC(=O)c1ccc(I)cn1 36462209 HZMYUTRZBHUYBF-UHFFFAOYSA-N 305.115 2.642 0 40 DFAB Cc1nn(CC(=O)c2ccccc2)c(=O)c2c1cnn2C(C)(C)C 36665681 RJTNYONKBLBDMK-UHFFFAOYSA-N 324.384 2.539 0 40 DFAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCSCC1 40122306 WQRLAQYYAYWZHB-UHFFFAOYSA-N 307.806 2.919 0 40 DFAB C[C@H](NC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 42738950 FGUHRKGYMYPKTK-VIFPVBQESA-N 305.359 2.797 0 40 DFAB Cc1cc(C)n(CCOC(=O)c2cnn(Cc3ccccc3)c2)n1 42777079 WOLDUVKMQKXZQY-UHFFFAOYSA-N 324.384 2.602 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H](C)Cc2ccco2)n1 44955535 UWTKOPBJZFBGGE-OLZOCXBDSA-N 318.421 2.659 0 40 DFAB CSCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 47895793 XMXWBIWXNVVYKB-SNVBAGLBSA-N 318.320 2.656 0 40 DFAB CCOC(=O)Nc1ccc(NC(=O)NCc2ccccn2)cc1 47947565 LGJJJEZMPVVMND-UHFFFAOYSA-N 314.345 2.972 0 40 DFAB C[C@H](Sc1nncs1)C(=O)Nc1nc(C2CC2)cs1 48571910 HOFHLMSZDVSHQT-LURJTMIESA-N 312.445 2.991 0 40 DFAB COC(=O)N(C)c1ccc(NC(=O)/C=C/c2cscn2)cc1 50343928 IYLGOSGEPHILQS-VMPITWQZSA-N 317.370 2.998 0 40 DFAB C[C@]1(c2cccs2)NC(=O)N(Cc2cccc(F)c2F)C1=O 53864821 NDPFJFCFPZQNMV-OAHLLOKOSA-N 322.336 2.994 0 40 DFAB CCC(=O)Nc1ccc(NC(=O)c2cnc3[nH]nc(C)c3c2)cc1 58200763 AOXWDHTUOMHKGK-UHFFFAOYSA-N 323.356 2.867 0 40 DFAB Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)on1 58289342 ZCQDAUXKNVNCPF-GFCCVEGCSA-N 319.792 2.893 0 40 DFAB C[C@@H](NC(N)=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 63691904 NYTKHVSFKXQXSF-CYBMUJFWSA-N 323.396 2.512 0 40 DFAB Cc1nc(C)c(C(=O)OCCc2c[nH]nc2C(F)(F)F)s1 64684941 UWOLSKUNOZHJLM-UHFFFAOYSA-N 319.308 2.901 0 40 DFAB O=c1c2c3c(sc2ncn1CC1(O)CCCCC1)CCC3 65171125 HUCUIONWCUTXNF-UHFFFAOYSA-N 304.415 2.642 0 40 DFAB CCOCCO[C@H](C)C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1 65550539 MTSXOQZNFLOUEZ-HUUCEWRRSA-N 323.433 2.526 0 40 DFAB O[C@H](CNCc1cccc2c1OCO2)c1ccc(F)cc1F 65552536 MWYLWVYTZRKWKT-CQSZACIVSA-N 307.296 2.517 0 40 DFAB O=C(c1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 69403473 CDBPZUIXBJWGMM-UHFFFAOYSA-N 307.806 2.759 0 40 DFAB Cn1nccc1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 69508602 CBUDGMDLOGHVJZ-UHFFFAOYSA-N 313.401 2.571 0 40 DFAB Cc1sc2ncnc(N3CCC[C@@H]3Cn3cncn3)c2c1C 69621006 FNRKWZIYOGVWLT-GFCCVEGCSA-N 314.418 2.569 0 40 DFAB Cn1cc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cn1 69740440 UOSNESRUSZSSOI-LBPRGKRZSA-N 315.402 2.869 0 40 DFAB COc1cccc(CS(=O)(=O)NCc2ccccc2C)c1 69780443 ZYBPPTNIDDZIAJ-UHFFFAOYSA-N 305.399 2.623 0 40 DFAB O=S1(=O)N=C(CSc2ccccc2)Nc2ccccc21 69809403 APCOCYMTDDLSEX-UHFFFAOYSA-N 304.396 2.992 0 40 DFAB CC(C)(C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 70013379 HMKPZHPEUWAUED-UHFFFAOYSA-N 302.296 2.755 0 40 DFAB C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(OC(F)F)c1 71921112 WFHYNIVWVVICSF-UWVGGRQHSA-N 302.321 2.817 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 71942802 SMGKOPXWKTVKAF-LLVKDONJSA-N 320.368 2.785 0 40 DFAB c1ccc2sc(CN3CCn4c(nnc4C4CC4)C3)nc2c1 72268402 YBHQWFUOCKWRJX-UHFFFAOYSA-N 311.414 2.781 0 40 DFAB C[C@H](NCc1nc(-c2ccsc2)no1)[C@@H](C)n1cccn1 72269729 PSYBJNQFHFDRGD-WDEREUQCSA-N 303.391 2.734 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)n1 72273835 SFSRESLGBLIWIQ-ZDUSSCGKSA-N 317.414 2.518 0 40 DFAB O=C(c1cccnc1)N1CCC(Oc2cccc(F)c2)CC1 72351035 WZUQOFFCNGNPOA-UHFFFAOYSA-N 300.333 2.904 0 40 DFAB Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C 74701873 FRWLEHGZIRJJFG-UHFFFAOYSA-N 311.429 2.600 0 40 DFAB CCc1ccc(NC(=O)CCOc2cccc(C(N)=O)c2)cc1 75107144 WXTLJMUGTXVRJH-UHFFFAOYSA-N 312.369 2.756 0 40 DFAB c1ccc(COc2cncc(N3CCN(CC4CC4)CC3)n2)cc1 75109823 VVKKDVBAUTXYEC-UHFFFAOYSA-N 324.428 2.588 0 40 DFAB CSc1ccccc1C(=O)NC[C@]1(O)CCc2ccccc21 75155657 QUZYQLCENJBTHP-GOSISDBHSA-N 313.422 2.972 0 40 DFAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)nc2)n[nH]1 76068444 CBCXNRUMYFMIFW-UHFFFAOYSA-N 314.798 2.556 0 40 DFAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79350583 UJWGRJYNFYLNIX-MAUKXSAKSA-N 319.449 2.529 0 40 DFAB O=S(=O)(N[C@@H]1CCc2ccccc21)c1c[nH]c2ncccc12 79354707 HJNZXABJOMCRIZ-CQSZACIVSA-N 313.382 2.529 0 40 DFAB COc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccsc1 80891716 TVKNZPNEIDOKRJ-IWAYRVGRSA-N 317.410 2.794 0 40 DFAB Cc1cnc([C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)s1 84259483 RRMGYDLKAMLQBB-ZDUSSCGKSA-N 302.403 2.933 0 40 DFAB O=C(Nc1cccnc1)NC1CCN(CC2CCCC2)CC1 84425142 PXXXTWYEURXCPK-UHFFFAOYSA-N 302.422 2.858 0 40 DFAB CC[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1noc(C)n1 89948026 SEIPZLKBDHNIBD-JTQLQIEISA-N 313.716 2.757 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C(=O)O)s2)o1 95424415 IOLDSMYJMOGBFO-UHFFFAOYSA-N 308.359 2.613 0 40 DFAB CCOc1cncc(N(C)Cc2csc([C@H](C)OC)n2)n1 95425672 FTQMALGMOCNPPI-JTQLQIEISA-N 308.407 2.676 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 95436906 QTEOIQNJEGAKKV-NSHDSACASA-N 316.405 2.505 0 40 DFAB O=C(c1cccc(F)c1Cl)N(CCCO)Cc1ccncc1 95447947 ZFXVEPACDYTSMQ-UHFFFAOYSA-N 322.767 2.899 0 40 DFAB CCN(C)C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 95996880 OPIOVGZQLALMAH-QMMMGPOBSA-N 306.332 2.785 0 40 DFAB Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)Cc1cccnc1 96161018 DQLNMFYYOQTYQM-UHFFFAOYSA-N 321.424 2.601 0 40 DFAB O=C(NC1(c2cccc(Br)c2)CC1)[C@H]1CCCOC1 96418901 QXVKKARLAYTLCU-NSHDSACASA-N 324.218 2.981 0 40 DFAB Cc1cc(CNC(=O)NC[C@H](C)Oc2cccc(Cl)c2)no1 96439467 AFVZVOVVRZGZAI-NSHDSACASA-N 323.780 2.903 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)s1)[C@@H]1C[C@@H]1c1ccco1 96441158 WELXDEIJPROKNE-AEJSXWLSSA-N 311.790 2.948 0 40 DFAB CN(C)CC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1 96443957 BXNNFKBXOLCVLU-UHFFFAOYSA-N 303.387 2.501 0 40 DFAB CN(Cc1nc2c(s1)CCCC2)[C@@H](C(N)=O)c1ccccc1 96448004 SHMFJLVSSOFKBT-MRXNPFEDSA-N 315.442 2.680 0 40 DFAB CCn1cc(C(=O)C(=O)N(Cc2sccc2C)C(C)C)cn1 96485358 ASPLVWNAVFPZJZ-UHFFFAOYSA-N 319.430 2.893 0 40 DFAB O=C(O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 96516844 JSFHKLYMCSBBAH-UHFFFAOYSA-N 301.321 2.584 0 40 DFAB Cc1cccc(C[C@@H](CNC(=O)c2cc(C)oc2C)C(=O)O)c1 97018795 KMSMTSFKCLVDGI-HNNXBMFYSA-N 315.369 2.878 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@@H]1CCO[C@H]1c1ccccc1 97055355 FFYAZDNEYWZPIH-BBWFWOEESA-N 318.417 2.775 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@H](C)CC3CC3)cc2)CC1 97162206 CPANAQYJYVGQSA-OAHLLOKOSA-N 315.461 2.951 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)CCCC3)C2 97198355 VLJZRCAVBGJASQ-KRWDZBQOSA-N 309.413 2.815 0 40 DFAB CN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100979361 PGINMPJZCWDQNT-GASCZTMLSA-N 323.348 2.970 0 40 DFAB O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3NC(=S)N12 103031698 ZCUMWWGVOPGRIY-AWEZNQCLSA-N 307.378 2.597 0 40 DFAB CCNC(=O)c1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 109034854 HHABUIATFTVOAQ-JLJPHGGASA-N 314.429 2.879 0 40 DFAB CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(F)cn1)C2 122689602 CYVAIYZDDMYPTI-UHFFFAOYSA-N 317.368 2.668 0 40 DFAB CC(C)[C@@H](NC(=O)Nc1ccncc1F)C(=O)OC(C)(C)C 184210144 FFXWYTOIFQFYJQ-GFCCVEGCSA-N 311.357 2.709 0 40 DFAB COc1ccc(/C=C/C(=O)NCc2nc(C)sc2C)cc1O 195567687 LNSGUFKYUMWOPE-FNORWQNLSA-N 318.398 2.804 0 40 DFAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CC1 227153597 WFFYUAPCJUZCPZ-UHFFFAOYSA-N 319.792 2.962 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@H]1CC=CCC1 252572164 YWNZVMABRWAOMC-KKUMJFAQSA-N 301.390 2.639 0 40 DFAB Cc1ccccc1CCC(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253472132 JSELJTGZQIBOKA-IRXDYDNUSA-N 324.428 2.914 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc4ncccc34)C2)n1 257219289 DGHYSSZDDKQABT-AWEZNQCLSA-N 320.396 2.906 0 40 DFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)s1 257226223 FJRLGFZQKFSUBX-ZDUSSCGKSA-N 318.446 2.886 0 40 DFAB Cc1cccc(N2CCC[C@@H]2c2nc(C)ncc2CN(C)C)n1 257259190 KXFWXCQHAAHIIC-MRXNPFEDSA-N 311.433 2.892 0 40 DFAB Cc1csc(NC(=O)c2cc([C@H]3CCCN3C)ccn2)n1 257300766 RVPFXENGPWKNAX-CYBMUJFWSA-N 302.403 2.866 0 40 DFAB CCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257324793 WQFRMAJJCYASDB-INIZCTEOSA-N 320.408 2.822 0 40 DFAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c(F)cccc12)C(=O)O 310011022 ZBRNRKPATPNTCH-LBPRGKRZSA-N 322.336 2.827 0 40 DFAB Cc1cnc(CCNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)nc1 528913596 JOGYYRCCMGNGFK-CVEARBPZSA-N 313.376 2.777 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2ccc3nnc(O)n3c2)c2ccccc21 562302434 LWLISUWHPIQEBZ-AWEZNQCLSA-N 322.368 2.835 0 40 DFAB Cc1oncc1C(=O)NC[C@@H](c1cc2ccccc2o1)N(C)C 575619420 DWZZDBMGFWNQOS-AWEZNQCLSA-N 313.357 2.762 0 40 DFAB O=C(Nc1cc(CCO)ccn1)[C@H]1SCCc2sccc21 579734803 YBCHQSZMVPWQEE-AWEZNQCLSA-N 320.439 2.647 0 40 DFAB CCCC(=CC(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)CCC 583619091 UXIBVMCPIJHDQL-VXGBXAGGSA-N 320.355 2.635 0 40 DFAB Cc1nc2ccc(C(=O)N3CCNC[C@H]3c3ccccc3)cc2[nH]1 585182264 JDEWCRGIGSSGCW-SFHVURJKSA-N 320.396 2.658 0 40 DFAB COc1nc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)ccc1C 1594156668 XJGOFVVNUWVSMG-INIZCTEOSA-N 312.369 2.583 0 40 DFAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c(nn1)CCCC2 1888906782 WSBBBUPWYYVRBW-UHFFFAOYSA-N 320.396 2.809 0 40 DFAB CCSCC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056223827 DWEQBAZCHSFUOD-MEDUHNTESA-N 322.405 2.508 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)cc1 105690 JZWZRZYTVFZHIA-INIZCTEOSA-N 302.399 2.916 0 40 DFAB CCn1c(C)nnc1SCC(=O)Nc1c(C)cccc1C 421179 ZIMKWNBXRQFVBD-UHFFFAOYSA-N 304.419 2.954 0 40 DFAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)[C@@H]1C[C@H]2CC[C@H]1C2 105763746 GUSWTEAJXPEGMF-ABHRYQDASA-N 321.442 2.645 0 40 DFAB CCCn1nnnc1NC(=O)c1cccc(O[C@@H](C)CC)c1 569461 JPRSTVINIWNGCB-NSHDSACASA-N 303.366 2.513 0 40 DFAB Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c(=O)[nH]1 75122772 XSVLOAOKOBGIOH-AWEZNQCLSA-N 302.761 2.754 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)N1CC[C@H]1c1ccccc1 43077335 WIQUYZDXJXTEKL-HOTGVXAUSA-N 324.380 2.983 0 40 DFAB CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(N)cc2)CC1 47843991 PGOLMYYEIPWJPP-UHFFFAOYSA-N 320.389 2.825 0 40 DFAB in-vitro O=C(NCc1ccco1)c1ccccc1C(=O)NCc1ccco1 3147259 QNVLVYZNPOGDDR-UHFFFAOYSA-N 324.336 2.733 0 40 DFAB COCCNC(=O)N[C@@H](c1ccccc1)c1ccccc1OC 78714960 FDGZLGTYTLGRSO-KRWDZBQOSA-N 314.385 2.730 0 40 DFAB COC(=O)CCC(=O)Nc1c(F)cc(Br)cc1F 78949644 IBLVWOXRMBYRQM-UHFFFAOYSA-N 322.105 2.619 0 40 DFAB Cc1cc(C(=O)NCCN2CCCC[C@@H]2C)nn1C(C)(C)C 55376839 ITIDPAZYAMIZGS-ZDUSSCGKSA-N 306.454 2.551 0 40 DFAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NCCc1cccs1 43309771 KVAAWOVPDXNUHW-AWEZNQCLSA-N 320.462 2.901 0 40 DFAB CC[C@H](C)[C@H](C)NC(=O)N1CCN([C@H](C)c2cccnc2)CC1 107050449 PNWFNDPYKBMMKY-HRCADAONSA-N 318.465 2.904 0 40 DFAB COc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cn1 12532074 XYWGKHLMJHNLBN-OAHLLOKOSA-N 322.368 2.527 0 40 DFAB C[C@@H](NC(=O)OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 56325486 PMXRRCPIGIIWHH-MRVPVSSYSA-N 316.279 2.921 0 40 DFAB Cc1ccc(=O)n([C@H](C)C(=O)Nc2cccc3ccccc23)n1 44394985 RDWAQNKKEFCEJC-CYBMUJFWSA-N 307.353 2.905 0 40 DFAB NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc(Cl)cn2)C1 95403371 WSUBMWICQIVYMG-GFCCVEGCSA-N 316.792 2.525 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)NCC1(c2ccc(F)cc2)CCC1 95411233 DRYBOPZEBHJZSC-MRXNPFEDSA-N 320.408 2.660 0 40 DFAB CC(C)NC(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 58017881 BZRORRCORURMQI-UHFFFAOYSA-N 322.796 2.726 0 40 DFAB O=C(CC1CCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 8987940 WCTDVFKENTZFLI-QGZVFWFLSA-N 314.429 2.732 0 40 DFAB CCOC(=O)N1CCC(Nc2nc3ccccc3nc2C)CC1 29432860 XVFALBSUJKEUML-UHFFFAOYSA-N 314.389 2.971 0 40 DFAB O=C(NCCc1ccccc1Cl)C(=O)Nc1ccccc1F 9234976 KCVGYAIBTZYFNV-UHFFFAOYSA-N 320.751 2.777 0 40 DFAB COc1cccc(CN(C)C(=O)Nn2cnc3ccccc32)c1 10402912 COASFQZFTKHDGW-UHFFFAOYSA-N 310.357 2.840 0 40 DFAB COC(=O)COCCCC(F)(F)C(F)(F)Br 1083809104 GHRRPICUJSZIEP-UHFFFAOYSA-N 311.069 2.579 0 40 DFAB Cc1nncn1-c1cccc(NC(=O)c2ccc(Cl)cn2)c1 95450800 PFBUPORSYUFZKD-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1ccc(F)c(CN2CCC3(CC(NC(=O)N(C)C)C3)C2)c1 108527599 ZUAOZKGTAIAWHO-UHFFFAOYSA-N 319.424 2.760 0 40 DFAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H]2CCCC[C@@H]21 46493235 LETNOGPXEZKBOD-HOTGVXAUSA-N 313.401 2.666 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CC(C)C)C2)n1 47291572 XPRJYRHPZAILJY-CQSZACIVSA-N 303.406 2.613 0 40 DFAB O=C(NCCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 12323439 KDEWIWRARUBDST-UHFFFAOYSA-N 311.316 2.848 0 40 DFAB O=C1CC(=O)[C@@H](n2cncn2)[C@@H](c2ccc(Cl)cc2Cl)C1 100507102 POTMWLVOWGCTKN-RISCZKNCSA-N 324.167 2.842 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c1 24432890 MCXPVRXWOIRXQZ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB O=c1c2ccccc2ncn1C[C@@H](O)c1ccccc1Cl 48366217 JKNOSMDMSPOECS-OAHLLOKOSA-N 300.745 2.784 0 40 DFAB CC[C@H](NC(=O)Cc1ccn[nH]1)c1ccccc1Br 89947898 SMXLJJCUYKVNOU-ZDUSSCGKSA-N 322.206 2.982 0 40 DFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(F)c1 3563352 XCHTUVLGKRIHTK-UHFFFAOYSA-N 317.316 2.938 0 40 DFAB C[C@H]1CN(c2ncnc3c2[nH]c2ccc(F)cc23)C[C@@H](C)O1 13563857 SNWFBPFCWSHFQE-AOOOYVTPSA-N 300.337 2.864 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(F)c1 19677015 ZKLWJZPZUNVNJF-UHFFFAOYSA-N 307.346 2.872 0 40 DFAB COC(=O)c1ccc(CNC(=O)c2ccc(OC)c(F)c2)cc1 39977583 WEZUQYVAQTTWKN-UHFFFAOYSA-N 317.316 2.551 0 40 DFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccco1 4348398 URIKFYVIDICCEG-UHFFFAOYSA-N 302.311 2.913 0 40 DFAB COc1ccccc1CS(=O)(=O)[C@@H](C)c1nc(C(C)C)no1 65393968 CKRDEUKKZNWEFC-NSHDSACASA-N 324.402 2.878 0 40 DFAB Cc1n[nH]c(C)c1CNCc1ccc(C(=O)N(C)C(C)C)cc1 65474700 PJVULEZCTBKCGV-UHFFFAOYSA-N 314.433 2.797 0 40 DFAB CC(=O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1 14101346 WDJZBEBDBHODSK-UHFFFAOYSA-N 321.423 2.698 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccccc1)C2=O 4514797 CHSKKCJICJAODC-GUYCJALGSA-N 302.374 2.566 0 40 DFAB O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1 14955998 AYDWCZNITOSPIZ-CQSZACIVSA-N 306.431 2.659 0 40 DFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1Cl 4811726 QOZVGUFAUYNRQA-NSHDSACASA-N 303.745 2.910 0 40 DFAB CNC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(C(F)(F)F)c1 93899329 JCCTVCAPEKGCJZ-VIFPVBQESA-N 306.303 2.658 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1c1cnn(C)c1 71796607 YCXJYQRFAJHFQY-CYBMUJFWSA-N 322.796 2.666 0 40 DFAB CC(C)S(=O)(=O)N(C)C(=O)c1cc(Cl)sc1Cl 83773691 PANZVBQCKVRWSQ-UHFFFAOYSA-N 316.231 2.865 0 40 DFAB C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnn(C)c1 96476735 KTWIROSYROZEQV-ZFWWWQNUSA-N 322.453 2.860 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2CCOCC(F)(F)F)n1 71876103 CHUDFIYLHGMMKC-ZDUSSCGKSA-N 305.344 2.543 0 40 DFAB CC(C)N1CC[C@@H](NC(=O)Nc2cccc(N3CCCC3)c2)C1 69241657 VHENIWYSOLUILA-MRXNPFEDSA-N 316.449 2.891 0 40 DFAB C[C@@]1(C(=O)O)Oc2ccccc2N(Cc2ccccc2F)C1=O 96517666 JGRLFSAKSQUSRW-QGZVFWFLSA-N 315.300 2.595 0 40 DFAB O=C(Cc1ccc(F)cc1)Nc1ccn(CCc2ccncc2)n1 69487874 LIEJUWNKEBEGPZ-UHFFFAOYSA-N 324.359 2.841 0 40 DFAB CCOC(=O)NCCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 69419623 RLADOIONUJFKCX-INIZCTEOSA-N 316.401 2.801 0 40 DFAB CC(C)CCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1 69444010 RUHAAKKVOLYJOU-UHFFFAOYSA-N 316.401 2.545 0 40 DFAB CCSc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1 69419182 XEDQZUGVGDIWHV-UHFFFAOYSA-N 305.407 2.591 0 40 DFAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 28232468 OXHXCYKLPOTYHU-NSHDSACASA-N 315.325 2.830 0 40 DFAB CCN1CCCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1 69666323 MRYXTSXNWUQNQH-UHFFFAOYSA-N 302.418 2.512 0 40 DFAB O=C1NC[C@@H]2CN(Cc3cc(-c4ccccc4)cs3)CCN12 91865385 XRZPUYVEGANMJJ-OAHLLOKOSA-N 313.426 2.625 0 40 DFAB Cc1csc(SCC(=O)NC(=O)NC2CCCCC2)n1 8511482 YBPIGXZGOZMBKN-UHFFFAOYSA-N 313.448 2.702 0 40 DFAB CC(=O)Nc1ccc(C(=O)N(C)CCOc2ccccc2)cc1 18072848 RDYFLWBQOOMICN-UHFFFAOYSA-N 312.369 2.796 0 40 DFAB CC(=O)NCCCS(=O)(=O)c1cc(C(C)(C)C)ccc1C 95977384 AFHLEBLJIJJWGU-UHFFFAOYSA-N 311.447 2.592 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 72242167 RFEYSSDRXNMJEP-WBVHZDCISA-N 312.344 2.984 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)Cc2csc(CC)n2)no1 72299345 LSPSZBKMUQCVAF-NSHDSACASA-N 320.418 2.557 0 40 DFAB C[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(N2CCCCC2)CC1 26439444 QYFIXKUOZNBGRG-DLBZAZTESA-N 321.509 2.726 0 40 DFAB O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](n2cncn2)C1 72295666 MILNUYJFSGSXCZ-ARFHVFGLSA-N 302.422 2.658 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H]1CCCOC1 97145706 SLOIFXHSYJSZBK-CABCVRRESA-N 303.402 2.658 0 40 DFAB COC[C@@H](Nc1ncc(Br)cn1)c1ccc(C)o1 72310982 YICBULQTDCFYPX-SNVBAGLBSA-N 312.167 2.940 0 40 DFAB O=C(O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 95969444 DDJGWZVMNUXAHJ-WDEREUQCSA-N 307.312 2.678 0 40 DFAB CCSC[C@@H](C)N(C)c1ccc(-n2nc(C)cc2C)nn1 89275211 ZUNRWLCUMLIGMP-CYBMUJFWSA-N 305.451 2.857 0 40 DFAB 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COc1cccc2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)oc12 952963756 ZLZOLFHKNWLBOA-UHFFFAOYSA-N 324.288 2.761 0 40 DFAB Cc1cc(C)cc(NC(=O)C(=O)NCCCc2ccccc2)c1 5184017 AXTQMBIEOPSTAI-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(OC)c(C)c1 12363000 OOHCHJPHYQFOST-KRWDZBQOSA-N 318.461 2.927 0 40 DFAB CC(=O)c1cccc(NC(=O)COc2ccc(C(=O)O)cc2)c1 13412133 JUEAYBJQNGKKOJ-UHFFFAOYSA-N 313.309 2.605 0 40 DFAB COc1ccccc1Nc1ccc2nnc(C(F)(F)F)n2n1 14203213 XVSWLHHTLZFLMP-UHFFFAOYSA-N 309.251 2.895 0 40 DFAB CSCSC[C@@H](CO)NC(=O)/C=C\c1ccc(C)cc1 17020785 KKGMNRPVIDSMDA-WBTMPAOCSA-N 311.472 2.539 0 40 DFAB O=C(Cn1c([C@@H]2CCCO2)cc2cccnc21)N1CCCCC1 19347066 PRIGBYKSNZODFG-INIZCTEOSA-N 313.401 2.900 0 40 DFAB CCN(CC)CCCNC(=O)c1ncoc1-c1ccc(F)cc1 19526374 XDCKAWJWAUVDRB-UHFFFAOYSA-N 319.380 2.942 0 40 DFAB CCc1ncnc(Nc2cc(NC(C)=O)ccc2OC)c1F 1888866308 WYPFTASOQSZZIB-UHFFFAOYSA-N 304.325 2.889 0 40 DFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C1CCCCC1 24013827 QLNNCTCTJPKUQI-SFHVURJKSA-N 316.445 2.756 0 40 DFAB 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2.813 0 40 DFAB CN(C)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1 22420238 BOQICPNOMKYJMA-CQSZACIVSA-N 317.776 2.743 0 40 DFAB CC1(C)NC(=O)N(CNc2cc(Cl)ccc2Cl)C1=O 93600 KAVUUOXITZCINW-UHFFFAOYSA-N 302.161 2.693 0 40 DFAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccco1 137150 AIKPUWAFLPLSOI-UHFFFAOYSA-N 321.336 2.857 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 47622100 OFAAIQBPABCRAW-UHFFFAOYSA-N 314.794 2.994 0 40 DFAB Cc1nc(CC(C)C)sc1C(=O)N1C[C@H](C)[C@H](N(C)C)C1 78895416 QWOWGJVAJMSLLA-WCQYABFASA-N 309.479 2.672 0 40 DFAB CNC(=O)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C 1392991 QWOZOSSCUJTOQL-NSHDSACASA-N 316.323 2.596 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OCO3)c1C 2620549 AHXUUZXCBCHKKK-UHFFFAOYSA-N 300.314 2.815 0 40 DFAB C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1 2746028 UWLBCKFBVIVLMO-RKDXNWHRSA-N 324.229 2.791 0 40 DFAB CC(C)NC(=S)N1CCc2[nH]cnc2[C@H]1c1ccccc1 3177297 MCBFETZWABNQDI-OAHLLOKOSA-N 300.431 2.640 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cccc3ncccc23)nc1 25400718 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Cc1cc(NC(=O)COC(=O)C2CC2)ccc1Br 3314028 NOERYLGPYASYMH-UHFFFAOYSA-N 312.163 2.649 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c2ccccc2c1=O 22233938 ICFGBAXPCYUJIH-UHFFFAOYSA-N 322.320 2.552 0 40 DFAB O=c1[nH]nc(SCc2nc3ccccc3s2)n1C1CC1 13682930 IENJTJIDBIFNBP-UHFFFAOYSA-N 304.400 2.808 0 40 DFAB CCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccnc1 95444856 CDSWFWFUWPEONG-UHFFFAOYSA-N 307.357 2.719 0 40 DFAB O=C(/C=C/c1ccco1)Nc1cccc(CN2CCOCC2)c1 65534169 LFSJLIVKXOPLOB-VOTSOKGWSA-N 312.369 2.764 0 40 DFAB O=C1NC(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N1 19708481 LWPOCBLSOZBUSJ-UHFFFAOYSA-N 311.185 2.567 0 40 DFAB COc1ccc(C)cc1CC(=O)N1CC(=O)Nc2ccccc21 14851851 XZECBZRZVFHRKN-UHFFFAOYSA-N 310.353 2.531 0 40 DFAB CCn1ncc(I)c1COCC(C)C 408717357 YUKBUCJBCJQPMQ-UHFFFAOYSA-N 308.163 2.680 0 40 DFAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCCC[C@@H]2CC)n1 15879745 ATUAILIXFLTTFM-ZDUSSCGKSA-N 323.462 2.606 0 40 DFAB Cc1ccc2c(c1)[C@@H](NCC1(CO)CCOCC1)CCCO2 90663064 MLRLCUDPAKRGMS-INIZCTEOSA-N 305.418 2.587 0 40 DFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 8234737 UOUKGLQQWZQCFM-DZGCQCFKSA-N 312.413 2.755 0 40 DFAB CCn1cc(C2CCN(Cc3ccnc(N(C)C)c3)CC2)cn1 95469409 KJSVSGORCDNCMA-UHFFFAOYSA-N 313.449 2.744 0 40 DFAB Clc1cnccc1N1CCC(CCN2CCOCC2)CC1 95408563 FNQRVDZMDSSHQH-UHFFFAOYSA-N 309.841 2.674 0 40 DFAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1 84821405 LIQRJURXUICAII-CVEARBPZSA-N 301.386 2.564 0 40 DFAB O=C(/C=C/c1ccsc1)NCCCNC(=O)c1cccs1 69560410 LCXLXIOSAAJVLD-SNAWJCMRSA-N 320.439 2.759 0 40 DFAB Cc1cccc(N2CCN(Cc3nnc(C4CCC4)o3)CC2)c1 69739290 QAAOEXICGVICAL-UHFFFAOYSA-N 312.417 2.968 0 40 DFAB Cc1ccn2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)nc2c1 69779479 AMCRWCAECQKCOL-HNNXBMFYSA-N 323.400 2.534 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Nc1ccccc1 9646159 ZJIVYJVAIUPFBO-ZFWWWQNUSA-N 303.406 2.893 0 40 DFAB O=C(O)c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 18196644 HLFBZWAZGXZUSH-UWVGGRQHSA-N 323.732 2.644 0 40 DFAB O=C1[C@H](NCc2csc(C3CC3)n2)CCN1c1ccccc1 95959249 GARSPUXTRWVIHW-OAHLLOKOSA-N 313.426 2.916 0 40 DFAB Cc1nnc(NCc2ccc(OCc3cscn3)cc2)n1C 95943674 UWQKVEUSOZFOGA-UHFFFAOYSA-N 315.402 2.771 0 40 DFAB NC(=O)CC[C@@H]1CCCN(Cc2cc(F)c(F)cc2F)C1 92660666 MPUQIDHXFWRZDY-JTQLQIEISA-N 300.324 2.581 0 40 DFAB COC(=O)c1ccc(N2CCO[C@@H](c3ccc(C)o3)C2)nc1C 95981623 QFNOKOCKSLRXJP-OAHLLOKOSA-N 316.357 2.656 0 40 DFAB CC1(CCNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)OCCO1 97115764 FNEGPBLZMMOPIU-GHMZBOCLSA-N 324.343 2.560 0 40 DFAB CCSc1ccc(NC(=O)NCCc2ccncc2)cn1 89275323 BNVKWDCMDZHBIL-UHFFFAOYSA-N 302.403 2.953 0 40 DFAB CC[C@@H](CCO)CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C 89943275 QHTHGQGDZFLEDF-GJZGRUSLSA-N 316.486 2.924 0 40 DFAB CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2c(C)n[nH]c2C)C1 76070117 MXRXMLZWSTWYKO-OLZOCXBDSA-N 310.467 2.571 0 40 DFAB Fc1ccc2ncnc(NCCCOC3CCOCC3)c2c1 76063509 NAUPPQSNFGQGMB-UHFFFAOYSA-N 305.353 2.767 0 40 DFAB CC(C)(C)c1ccc(OCCN2CCC(C(N)=O)CC2)cc1 26467747 KFKBQIGJRBZHNI-UHFFFAOYSA-N 304.434 2.560 0 40 DFAB O=C1c2ccccc2C(=O)N1CCc1csc(-n2cccc2)n1 61968074 YAYGHNXFHAZTKA-UHFFFAOYSA-N 323.377 2.773 0 40 DFAB Cc1nn(Cn2ccc(C(=O)OC(C)(C)C)n2)c(C)c1Cl 62701425 WWYFNBGQBYGAQS-UHFFFAOYSA-N 310.785 2.811 0 40 DFAB COc1ccc2c(c1)OC[C@H](N[C@H]1CCC13CCOCC3)C2 548793245 VLJDRXCKVSJEHV-PBHICJAKSA-N 303.402 2.548 0 40 DFAB CC(C)OCCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 128222873 JLXWVQAVJOJXBX-CVEARBPZSA-N 306.406 2.631 0 40 DFAB Cc1noc([C@H](C)S(=O)(=O)Cc2ccc(F)cc2Cl)n1 36391658 LBKRCKFHPKMHFW-ZETCQYMHSA-N 318.757 2.847 0 40 DFAB O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@@H]1c1ccc(O)nn1 530078410 FMNUKMGRCYYNRT-CMPLNLGQSA-N 311.332 2.671 0 40 DFAB CC[C@H](NC(=O)c1cccc(N(C)C)c1)c1c(C)nn(C)c1C 75196243 IRODZKZRUVVISU-INIZCTEOSA-N 314.433 2.984 0 40 DFAB NC(=O)[C@@H](NCCSc1ccccc1F)c1ccccc1 79098044 HGQDJEVNMWRCIF-HNNXBMFYSA-N 304.390 2.734 0 40 DFAB COc1cccc([C@@H]2[C@H](N[C@@H]3CCO[C@@H]3C)CCN2C2CC2)c1 181281187 YWSDFNSSADPJSM-BYNBJNPRSA-N 316.445 2.740 0 40 DFAB Cc1cnc(CN2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)o1 75738059 FXMOOQKMMJMMQM-TXEJJXNPSA-N 309.410 2.813 0 40 DFAB CSC[C@@H](CCO)NC(=O)Nc1ccc(F)c(Cl)c1 77659436 JQVPMUDVMDAHCZ-SECBINFHSA-N 306.790 2.715 0 40 DFAB CC[C@H](NC(=O)NCCCn1cc(C)cn1)c1nc(C)cs1 78518501 LJMGMCGIYXMAIL-ZDUSSCGKSA-N 321.450 2.797 0 40 DFAB CC[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@]2(CCOC2)O1 225786941 YKNOENFPYDJCEF-KURKYZTESA-N 305.418 2.644 0 40 DFAB CCC[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 195554811 GCEIVXIMYAAHOC-AWEZNQCLSA-N 310.825 2.837 0 40 DFAB COC(=O)[C@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957972 QMERFPLVXHPTQQ-CPRYYRBXSA-N 305.418 2.613 0 40 DFAB CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1 225925377 YWQWIUUJNIXOBZ-UHFFFAOYSA-N 316.401 2.672 0 40 DFAB CC[C@H](O)CN[C@@H](C)c1ccc(Br)cc1OC 190434942 RIWPJSSTRWXAGI-ONGXEEELSA-N 302.212 2.879 0 40 DFAB CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cnc2ccsc2c1 572827639 WNXJNTGDDWPIIY-OAHLLOKOSA-N 306.387 2.916 0 40 DFAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCc1ccccc1 225743286 UAYQYIFBLCIOPF-UHFFFAOYSA-N 306.365 2.626 0 40 DFAB CN(C)c1nccc(CNC(=O)Nc2ccc(F)c(Cl)c2)n1 224238341 MZAYTDCRHNPCPK-UHFFFAOYSA-N 323.759 2.657 0 40 DFAB CSc1ccccc1C(=O)N1CCOC[C@@H]1c1cccn1C 194379451 IABQVLMIUKKINK-OAHLLOKOSA-N 316.426 2.961 0 40 DFAB Cc1ccnc(N2CCC(C(=O)NCCCOC(C)C)CC2)c1 195539166 KXBFYBUEVOXSML-UHFFFAOYSA-N 319.449 2.538 0 40 DFAB Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(O)c2)cc1F 195540252 AINZFWSXTWAVFZ-UHFFFAOYSA-N 313.325 2.804 0 40 DFAB O=C(Cn1cc2ccccc2n1)N1CCC(c2ccncc2)CC1 330292495 HHBFCJBABJGGQM-UHFFFAOYSA-N 320.396 2.838 0 40 DFAB CC(C)Cc1ccc(-c2cc(C(=O)Nc3nc[nH]n3)[nH]n2)cc1 96231893 DPWFQAKSTLTNDR-UHFFFAOYSA-N 310.361 2.646 0 40 DFAB O=C(c1ccc[nH]1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96497146 RPGPEKZEEJRJRK-UHFFFAOYSA-N 312.295 2.707 0 40 DFAB CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCS1 96432300 BONWIESDDMOQSH-HNNXBMFYSA-N 318.442 2.785 0 40 DFAB CCOC(=O)[C@@H]1CN(Cc2cccs2)Cc2ncn(CC)c21 96100432 YOZXYROEFBJIFW-CYBMUJFWSA-N 319.430 2.627 0 40 DFAB C[C@H](CNC(=O)NCc1ccncc1)c1ccc(F)c(F)c1 96431347 BOMSWBBZBQANJN-LLVKDONJSA-N 305.328 2.963 0 40 DFAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1ccccc1)CC2 96197769 ZHGQHTMDXQIFTB-GOSISDBHSA-N 311.429 2.946 0 40 DFAB CC(C)NC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 96074028 WQBBLEOJNVBCTJ-SFHVURJKSA-N 315.417 2.624 0 40 DFAB CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(COC)o2)c1 97404812 JWOUTQMSWARHGJ-UHFFFAOYSA-N 316.357 2.736 0 40 DFAB Cc1cccc(CNC(=O)C(=O)NCc2ccccc2Cl)c1 242972282 HNSGROVMZQCVRF-UHFFFAOYSA-N 316.788 2.581 0 40 DFAB CN1CC[C@@H]2CCN(C(=O)Nc3cccc4c3ccn4C)[C@@H]2C1 543702642 XMFSXAAEYUTLCY-CXAGYDPISA-N 312.417 2.736 0 40 DFAB CCc1cc2nncn2c(SCc2nccn2C(F)F)n1 279963992 OEOXNDUXDJFNFS-UHFFFAOYSA-N 310.333 2.571 0 40 DFAB COc1ncccc1C(=O)Nc1ccc(Nc2ncccn2)cc1 390835230 HANXVUXPWWQHRD-UHFFFAOYSA-N 321.340 2.876 0 40 DFAB CCc1nc(CCNC(=O)NCc2ccc(C)nc2)sc1C 69659895 XUIUCTIYFXGXMD-UHFFFAOYSA-N 318.446 2.759 0 40 DFAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1cccs1 30983507 RCACMUTZKGOAPP-NWDGAFQWSA-N 318.398 2.948 0 40 DFAB COc1cccc(SCC(=O)Nc2c(C)nn(C)c2C)c1 43919450 LMPSVYPXMZBJNI-UHFFFAOYSA-N 305.403 2.776 0 40 DFAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c(Br)cnn1C 17024892 FJOCOFULSNSOSQ-DTORHVGOSA-N 300.200 2.586 0 40 DFAB COc1ccc(CNC(=O)CCn2ccc3ccccc32)cn1 54730439 FOOBDSSKLLRVSX-UHFFFAOYSA-N 309.369 2.751 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)sc2ccc(F)cc12 53010994 IKRKVWCXMMBWLP-LBPRGKRZSA-N 320.389 2.747 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2ccn[nH]2)C1 60758984 PNUNZNVLFUMPIW-ZDUSSCGKSA-N 308.385 2.840 0 40 DFAB CCC(CC)c1cc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)on1 76088652 XURZOUGUFNQDBK-VXGBXAGGSA-N 309.410 2.897 0 40 DFAB CC(C)(C)c1noc(CCCC(=O)N2CCCSCC2)n1 61897235 RSRFONPDOXQLRO-UHFFFAOYSA-N 311.451 2.655 0 40 DFAB CC(C)[C@@H]1N(C(=O)Nc2nccc(N(C)C)n2)CC12CCCC2 583483366 KNNGJAXRFVCFKE-AWEZNQCLSA-N 317.437 2.975 0 40 DFAB O=C1N(c2ccc(Cl)cc2)Cc2nn(C3CCCC3)c(=O)n21 1547201295 XPUMISDVIQZYBE-UHFFFAOYSA-N 318.764 2.802 0 40 DFAB CN(C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 5879061 BRKYTUPUDTYPOB-UHFFFAOYSA-N 304.371 2.610 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1cccs1 14183988 PGNAHHMFBLSDMM-LBPRGKRZSA-N 308.428 2.589 0 40 DFAB COc1cccc2c(C)nc(Nc3ncc(C(C)=O)c(C)n3)nc12 14607459 NWFUGADEWQAUEZ-UHFFFAOYSA-N 323.356 2.991 0 40 DFAB O=C(Nc1cccc(Cl)c1)c1c(O)c2c([nH]c1=O)CCCC2 17180231 NRLOXNPUZLKQDM-UHFFFAOYSA-N 318.760 2.865 0 40 DFAB Cc1cc(CN(C)Cc2cnn(Cc3ccccc3)c2C)[nH]n1 19117449 XQNZMIBMBSGTDL-UHFFFAOYSA-N 309.417 2.903 0 40 DFAB Cc1ccc(C)c([C@H](O)CN2CCN(c3nccs3)CC2)c1 19132136 ONEFDFDJUNSZFG-MRXNPFEDSA-N 317.458 2.616 0 40 DFAB Cc1cc(=O)n(CC(=O)N[C@H](C)c2ccccn2)c2ccccc12 19658468 DPWZMWVHJZYYPY-CQSZACIVSA-N 321.380 2.582 0 40 DFAB CC(=O)Nc1cc([C@H]2CCCNC2)nc2c1c(C)nn2C(C)C 19717717 XQSZTRKBHKOLNS-ZDUSSCGKSA-N 315.421 2.746 0 40 DFAB Cc1ccc(C(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1 5594095 JIWAACFGLDSRSL-UHFFFAOYSA-N 300.383 2.542 0 40 DFAB COc1ccc(CC(=O)OCCOc2ccccc2F)cc1 3220284 HXCGMWCIZWIYTJ-UHFFFAOYSA-N 304.317 2.999 0 40 DFAB O=C(COC(=O)c1ccc2ccccc2n1)NC1CCCCC1 3315626 SYZIBJPXMOPYSC-UHFFFAOYSA-N 312.369 2.841 0 40 DFAB CCn1nc(C(=O)NCc2ccc(C)cc2)c2ccccc2c1=O 5578457 VSQVYPMIWXMGQT-UHFFFAOYSA-N 321.380 2.655 0 40 DFAB Cc1nn(C)c(C(=O)N2CCCCCC2)c1Br 2767704 PHWSAVIOWZJFBV-UHFFFAOYSA-N 300.200 2.507 0 40 DFAB CCn1cc(Br)c(C(=O)N2CCC[C@@H](C)C2)n1 2780499 BNSHWVFIGYIRJX-SECBINFHSA-N 300.200 2.538 0 40 DFAB O=C(NCc1ccccc1)NC[C@H]1CC(=O)N(c2ccccc2)C1 9038865 JKPABWKUTVOJOU-MRXNPFEDSA-N 323.396 2.539 0 40 DFAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1cccc(Cl)c1 9823279 FBTGOTTYPXCREU-CQSZACIVSA-N 315.760 2.789 0 40 DFAB O=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 10187848 JICOYQSWXLIXLJ-UHFFFAOYSA-N 323.327 2.683 0 40 DFAB COc1ccc(C(=O)NC[C@](C)(O)Cc2ccsc2)cc1F 618257349 UMZXNUQBXJFDJW-MRXNPFEDSA-N 323.389 2.619 0 40 DFAB O=C(COCc1ccccc1)NCc1nccnc1-c1ccoc1 575620992 SHYQXMASFXLZRV-UHFFFAOYSA-N 323.352 2.570 0 40 DFAB CCOc1cc(CNC[C@@]2(O)CCOC(C)(C)C2)ccc1OC 2111654 JKVULIFEVYXDTC-GOSISDBHSA-N 323.433 2.504 0 40 DFAB biogenic O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccccc1 149401 PPYOTVUPXFKOLY-UHFFFAOYSA-N 314.728 2.828 0 40 DFAB CCN(CC)C(=O)CSc1nc2ccccc2n1C(=O)OC 62270 USIQDEPGMTTWME-UHFFFAOYSA-N 321.402 2.611 0 40 DFAB CC(=O)Nc1nc(C(=O)N2CCCc3ccccc32)cs1 40553239 XVIKDQDIRPVOHO-UHFFFAOYSA-N 301.371 2.695 0 40 DFAB CCCc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 40548551 HBHLXEYWDGVENH-UHFFFAOYSA-N 323.400 2.875 0 40 DFAB CCn1nc(C)cc1C(=O)N(C)Cc1ccc(OC)c(OC)c1 40770601 AINUZUUEXRSFGA-UHFFFAOYSA-N 317.389 2.501 0 40 DFAB COc1ccccc1N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 21002308 ZEZATIMVYKXJFE-UHFFFAOYSA-N 319.792 2.639 0 40 DFAB Cc1ccc(C(=O)OCc2nc(-c3cccnc3)no2)s1 21313589 JFFQLKUGGCLCIR-UHFFFAOYSA-N 301.327 2.859 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 32736255 LOKYEJWQIULVNJ-UHFFFAOYSA-N 322.364 2.912 0 40 DFAB C[C@H]1CC=CC[C@@H]1COC(=O)c1nn(C)c(=O)c2ccccc12 32964006 MNPLKXGHPUGUHW-QWHCGFSZSA-N 312.369 2.693 0 40 DFAB CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 426899 SNOZUIBARSFXME-UHFFFAOYSA-N 315.398 2.700 0 40 DFAB Cc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1 378795 OGPHVMFQMHLHFW-UHFFFAOYSA-N 305.309 2.870 0 40 DFAB CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 23995411 YINDUCYKQUQQSN-OAHLLOKOSA-N 312.344 2.910 0 40 DFAB CC(C)C[C@@H](CNCc1c[nH]nc1-c1cccnc1)N(C)C 42921125 TVDKHMLYDQSDOC-INIZCTEOSA-N 301.438 2.538 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2ncccc2c1 78897825 CJPPNWVDHOZSRH-KSSFIOAISA-N 323.440 2.971 0 40 DFAB C[C@H]1C[C@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 79953428 OVVNCKWHYWMQLW-DOTOQJQBSA-N 314.429 2.850 0 40 DFAB Cn1cc(CCC(=O)N2CCCc3cc(F)cc(F)c32)cn1 55441258 PSOZFEFJGJTNPM-UHFFFAOYSA-N 305.328 2.610 0 40 DFAB CCOc1cccc(N2CCN(C(=O)c3ccsc3)CC2)n1 106706905 SPZKZZBAMUDRPA-UHFFFAOYSA-N 317.414 2.504 0 40 DFAB COc1ccc(F)cc1C(=O)NCc1ccc(NC(C)=O)cc1 25340155 FYQJSACURAIPFE-UHFFFAOYSA-N 316.332 2.723 0 40 DFAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cn3ccnc3)cc2)n1 85293725 ASEPHMYNWHQRRW-OAHLLOKOSA-N 323.400 2.563 0 40 DFAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccccc1 102402511 OEWVDOHGIAUIJD-CHWSQXEVSA-N 315.369 2.564 0 40 DFAB COc1cccc(C(=O)NCCN(C)c2ccccc2)c1OC 53207028 ZIECEYBRMYOOKA-UHFFFAOYSA-N 314.385 2.570 0 40 DFAB COC(=O)N1CC[C@@H](N[C@H](C)c2cc3cccc(OC)c3o2)C1 95988073 PCNPBLYRKJDZAU-DGCLKSJQSA-N 318.373 2.933 0 40 DFAB CC1CCC(C)(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 58201205 AMAPEIXSCZKUIV-SWKXRBFHSA-N 316.449 2.778 0 40 DFAB Cc1ccn2cc(C(=O)NCCO[C@H]3CCCC[C@H]3C)nc2c1 58369460 HDVYMCGOIWJDHU-ZBFHGGJFSA-N 315.417 2.968 0 40 DFAB Cc1cnn(-c2ccc(C(=O)N(C)Cc3ccccn3)cc2)c1 58978424 JXOIIDKPMGACTM-UHFFFAOYSA-N 306.369 2.848 0 40 DFAB CC(C)CC(=O)Nc1ccc(N[C@H]2CCCCNC2=O)cc1 12523399 VGCDCYOIEKQKBY-HNNXBMFYSA-N 303.406 2.752 0 40 DFAB CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCCOC1 95440561 FYLFOPBDNWIDJR-CYBMUJFWSA-N 311.809 2.824 0 40 DFAB O=S(=O)(C1CCOCC1)N1CC[C@@H]1c1ccc(Cl)cc1 95402915 LQJMBVLXOWMTIH-CQSZACIVSA-N 315.822 2.596 0 40 DFAB Cn1ncc2c(C(=O)O)cc(-c3ccc(OC(F)F)cc3)nc21 12396229 FWTVVHYPFWOKCL-UHFFFAOYSA-N 319.267 2.935 0 40 DFAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 21991632 FDESQZBVTKLIQN-QAMLVEQRSA-N 317.429 2.984 0 40 DFAB COC(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)nn1 48237951 LPYSENXZJDXPOO-AWEZNQCLSA-N 301.321 2.744 0 40 DFAB COc1ccc(NC(=S)N(CCO)Cc2ccccc2)cc1 3388813 ZLOSYBMPFOWTHC-UHFFFAOYSA-N 316.426 2.887 0 40 DFAB CC(C)Sc1ccccc1C(=O)NCCSCC(=O)O 95970666 YZHXDESZZCHPEM-UHFFFAOYSA-N 313.444 2.735 0 40 DFAB O=C(CCc1ccccn1)OCc1cncc(Br)c1 62879404 AFILMESYUOMYOC-UHFFFAOYSA-N 321.174 2.915 0 40 DFAB COC(=O)[C@H](NC(=O)c1cc(C)no1)c1ccc2ccccc2c1 96009016 DPEDEAJCCMDKQO-MRXNPFEDSA-N 324.336 2.780 0 40 DFAB CNC(=O)COc1ccc(CNCc2ccc(C)c(C)c2)cc1 48781955 FHPVQOFHYANMKU-UHFFFAOYSA-N 312.413 2.718 0 40 DFAB Cc1nc([C@H]2CCCCCN2C(=O)c2ccnc(F)c2)no1 96001188 KSFXQAXDVVFDCH-GFCCVEGCSA-N 304.325 2.670 0 40 DFAB CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1nc(C)no1 64398400 CTNYQFSFUJOFHJ-UHFFFAOYSA-N 314.267 2.967 0 40 DFAB COc1ccc(-c2cc(C(=O)O)c3c(C)n[nH]c3n2)c(OC)c1 49543349 NVMVUTMFNNHRHN-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB biogenic CCCCN(CC(F)(F)F)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 49732990 WXMBJLXSJFJTRB-UHFFFAOYSA-N 315.295 2.661 0 40 DFAB CCOC(=O)Nc1cccc(C(=O)OCc2cc(C)on2)c1 9385424 PWPYJXVPACXOJV-UHFFFAOYSA-N 304.302 2.908 0 40 DFAB Cc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c(C)c1 5088894 AERSPPLGBIJTIR-UHFFFAOYSA-N 310.332 2.979 0 40 DFAB Cc1oc(C)c(C(=O)N2CCO[C@@H](C)C2)c1Br 65516114 FTMRGVBMJSTJBK-ZETCQYMHSA-N 302.168 2.520 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC[C@H](O)c2ccccc2F)o1 65610181 NMXBGHDMDLWHCI-HNNXBMFYSA-N 315.348 2.940 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)ccc1Cl 9450332 XBCJZTIYMNWSNJ-UHFFFAOYSA-N 317.216 2.980 0 40 DFAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1 4505964 BPGWROJVCLUWCD-UHFFFAOYSA-N 310.353 2.668 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CCn1cnc2sccc2c1=O 14302471 SMLUELYNIWOWPB-WCQYABFASA-N 319.430 2.543 0 40 DFAB C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1 95990379 RPNKDPVNXGNGKQ-WCQYABFASA-N 313.344 2.538 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccsc2)CC1 71835157 HYUAKDDLKGPSPK-HUUCEWRRSA-N 316.426 2.789 0 40 DFAB c1ccc(-c2nnc(OCc3ccc(-n4ccnc4)nc3)o2)cc1 95993772 AACDNFJWTCODMB-UHFFFAOYSA-N 319.324 2.896 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H](c3noc(CC)n3)C2)o1 67885180 WTLFGDBZUYALAV-LLVKDONJSA-N 303.362 2.807 0 40 DFAB C[C@H](NC[C@H](C)[S@](C)=O)c1ccccc1Br 90842529 HVGVWGDVXSOYOS-XQJJYNOISA-N 304.253 2.867 0 40 DFAB COc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1 8075390 SAQBASKWKSUMLW-UHFFFAOYSA-N 307.353 2.811 0 40 DFAB O=C(Cn1c(CO)nc2ccccc21)NCCC1=CCCCC1 68938687 ZYFSIQZMJIXRLA-UHFFFAOYSA-N 313.401 2.535 0 40 DFAB C[C@H](c1cccnc1)N(C(=O)c1cccc(C(N)=O)c1)C1CC1 69367368 YYNSBNYTBGDWOO-GFCCVEGCSA-N 309.369 2.546 0 40 DFAB COC(=O)c1ccc(NCC(=O)N(C)Cc2cccs2)cc1 98071824 GFEVMXLECFDECP-UHFFFAOYSA-N 318.398 2.605 0 40 DFAB CN(C)C(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCCC1 72002751 BELZGGPNWOBQOZ-QGZVFWFLSA-N 317.433 2.695 0 40 DFAB COc1ccc(C(=O)CCCC(=O)NCC[C@@H]2CCCO2)cc1 83937713 FXNDPMLYGDYOSZ-INIZCTEOSA-N 319.401 2.734 0 40 DFAB COCCN(Cc1nc(C)no1)Cc1ccc(F)cc1Cl 69596290 PEYWOMDIHWOIDH-UHFFFAOYSA-N 313.760 2.819 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 82355055 DAAQXYINTYQCAU-INIZCTEOSA-N 320.389 2.888 0 40 DFAB Cc1nnc2n1C[C@H](CNc1ccnc(-c3ccccc3)n1)CC2 69738437 UGAYCCXLTWHDMB-AWEZNQCLSA-N 320.400 2.718 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)Cc2cccc3cccnc23)cn1 69843646 BHVZLOMGYVTGNI-QGZVFWFLSA-N 320.396 2.875 0 40 DFAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC=CC1 95970090 SOBJVVZHKZIYPE-UHFFFAOYSA-N 309.312 2.734 0 40 DFAB O=C(NCc1cc2ccccc2o1)N[C@H](CO)c1ccccc1 97048113 IVNDKBQJMAVQOJ-MRXNPFEDSA-N 310.353 2.966 0 40 DFAB Cc1ccc(OC2CCN([C@H](C)c3nnc(C)o3)CC2)nc1 97083976 ULQQZGOIFJOCGI-GFCCVEGCSA-N 302.378 2.686 0 40 DFAB O=C(c1cccc(-n2ccnn2)c1)N1CCCc2cccc(O)c21 97048506 NHAQMBHZVVHPGS-UHFFFAOYSA-N 320.352 2.566 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)N[C@@H]1CCCC[C@@H]1O 97033267 BWHKAHHXDQBYHE-HIFRSBDPSA-N 314.389 2.606 0 40 DFAB C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1cnn(C)c1 72295367 ZNQPIQVYTXCDNB-GFCCVEGCSA-N 315.442 2.878 0 40 DFAB CCOC(=O)c1cnn([C@H]2CCCN(c3cccc(C)n3)C2)c1 97163408 HKVIZHSRSOPXCP-HNNXBMFYSA-N 314.389 2.605 0 40 DFAB C[C@H](C(=O)NCc1cc(N(C)C)nc2ccccc12)n1cccc1 89478742 JPWIWWUZUMGHSV-CQSZACIVSA-N 322.412 2.980 0 40 DFAB Cc1c(C(=O)NCC2CCC2)nnn1-c1cccc2cnccc12 89556342 PYSGYANOJUOQNZ-UHFFFAOYSA-N 321.384 2.654 0 40 DFAB Cc1cc(C)c(CNc2nc3ccccc3cc2CO)c(=O)[nH]1 89568562 LUCHBBYKGHZHJP-UHFFFAOYSA-N 309.369 2.644 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)N1CCC2(CCCCC2)C1 89818554 LYAHQDZCUSXUIJ-UHFFFAOYSA-N 305.466 2.979 0 40 DFAB COc1ccnc(NC(=O)c2ccc(Br)cn2)c1 89987147 MCIOMHCNGPUOQT-UHFFFAOYSA-N 308.135 2.500 0 40 DFAB CCc1ccc(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3)o2)cc1 76065895 ZADSCPYSYXEPRS-CQSZACIVSA-N 312.369 2.517 0 40 DFAB CCc1noc(CN(C)C(=O)NCC2CCC(CC)CC2)n1 69817810 GEUIVLITKCMBDT-UHFFFAOYSA-N 308.426 2.990 0 40 DFAB O=C(O)CCN1CCc2[nH]c3ccc(Br)cc3c2C1 527392637 DKHJEBNVFMVMGY-UHFFFAOYSA-N 323.190 2.763 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)ccn1 79001810 YOWIRVMUXUISKI-JKSUJKDBSA-N 315.417 2.757 0 40 DFAB CC(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)s1 32818953 PNZNKFSARVIAGU-UHFFFAOYSA-N 302.355 2.746 0 40 DFAB CC(C)OCCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 128223096 JLXWVQAVJOJXBX-HOTGVXAUSA-N 306.406 2.631 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)C1CCC(NCCO)CC1 79408141 ONSQWWIRQUCTIW-UHFFFAOYSA-N 300.443 2.525 0 40 DFAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1F 71979870 WIQPFAAHRCKVHJ-WKXXDYOBSA-N 321.348 2.658 0 40 DFAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1nnc(C2CCCCC2)s1 71287012 UYAQTIYVNLOTHE-UWVGGRQHSA-N 323.418 2.881 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 72389882 OFLHXNFWPUNCFP-CQSZACIVSA-N 320.352 2.761 0 40 DFAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CC 225199148 PFFHQUSGDKFGEZ-CYBMUJFWSA-N 308.397 2.869 0 40 DFAB CC[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 40074122 RTKKQIIKJXWAJV-CZUORRHYSA-N 324.852 2.876 0 40 DFAB COC(=O)CCCC(=O)N1CCC(C)(c2ccccc2)CC1 131536960 WTKAWGGVHIUOFD-UHFFFAOYSA-N 303.402 2.910 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccco1 222749486 XMQFEOXRVVNLGZ-CQSZACIVSA-N 314.385 2.723 0 40 DFAB Cc1cc(O)nc([C@H](C)N2CCO[C@@H](c3ccc(C)o3)C2)n1 192707576 CHJQHRKDZHQAHN-GXTWGEPZSA-N 303.362 2.527 0 40 DFAB COc1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646598 CQGCLVLLUHKRAS-ZDUSSCGKSA-N 312.369 2.554 0 40 DFAB COc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1F 190979564 QGFBMLDCHWGDTA-UHFFFAOYSA-N 316.379 2.708 0 40 DFAB Cc1ccccc1OC[C@H](O)CNC[C@H](CO)C1CCCCC1 572243076 KGZABSQZSFDOEZ-QZTJIDSGSA-N 321.461 2.513 0 40 DFAB CCNC(=O)c1ccc(Nc2ccc(OC)cc2OC)c(N)c1 225432868 YDVCDLCERHTIBU-UHFFFAOYSA-N 315.373 2.779 0 40 DFAB Cn1cc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cn1 49549845 ZDWDXIBJKHBDOY-GFCCVEGCSA-N 305.407 2.796 0 40 DFAB Cc1ccc(CCNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cn1 80204927 AZLRJTPZGLGMGB-GOSISDBHSA-N 310.397 2.669 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ccno2)cc1 583615561 JIZUYZPFZORFSQ-IAGOWNOFSA-N 302.374 2.555 0 40 DFAB O=C(NCCOC[C@H]1CCCO1)c1c(Cl)cccc1Cl 81751478 QXVYFPTYPMIYGE-SNVBAGLBSA-N 318.200 2.919 0 40 DFAB CCc1ccc(NC(=O)N(C)C[C@H](O)C(F)(F)F)cc1F 96491526 XFFGMUPIXFPCRQ-NSHDSACASA-N 308.275 2.775 0 40 DFAB c1cc(CO[C@@H]2CN(C3CCCC3)[C@@H]3CCCO[C@H]23)ccn1 96042530 UPJONRHRMIYWNH-KURKYZTESA-N 302.418 2.773 0 40 DFAB CC(C)C(=O)N1CCCN(CCSc2ccccc2)CC1 96410571 QWYMZQXVUXVIHY-UHFFFAOYSA-N 306.475 2.969 0 40 DFAB Cc1nnnn1-c1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 95478038 YYJUHKDDBKRVOF-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB CCCOc1ccc(S(=O)(=O)n2ccnc2)cc1OCCC 95945901 AZDVMJAMLJGYCL-UHFFFAOYSA-N 324.402 2.698 0 40 DFAB CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(N(C)C)cn2)s1 96454242 VRYWHSIEZSQEGJ-JTQLQIEISA-N 320.418 2.872 0 40 DFAB CCN1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 96466399 JYJZDTLRDCEPOW-HNNXBMFYSA-N 323.824 2.574 0 40 DFAB COc1ccc(CNC(=O)c2noc(-c3ccc(C)cc3)n2)cc1 96105461 YWWZMSCXEQMGGZ-UHFFFAOYSA-N 323.352 2.984 0 40 DFAB NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 96586423 BYHWRARGQSXKTQ-UHFFFAOYSA-N 324.380 2.682 0 40 DFAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C2CCC2)C3)n1 247872063 LMOJJRZBEGBPCJ-KRWDZBQOSA-N 302.418 2.693 0 40 DFAB CO[C@H]1C[C@@H]2CN(C(=O)c3cc4cccc(F)c4[nH]3)C[C@@H]2C1 257206731 BESBQIJIEPKXJN-ITGUQSILSA-N 302.349 2.804 0 40 DFAB C[C@@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C[C@@H]1C(=O)O 564978263 MAXKOTRAOQRORH-YPMHNXCESA-N 318.373 2.586 0 40 DFAB Cc1nc(C)c(CN2CCC[C@@]3(C2)CN(C(C)C)C3=O)s1 585099274 AFIAQIMWGOAENJ-MRXNPFEDSA-N 307.463 2.593 0 40 DFAB Cc1ccc(NC(=O)N2CCN(c3cnsn3)CC2)cc1C 585148819 JYJJFTVJIWWTIY-UHFFFAOYSA-N 317.418 2.509 0 40 DFAB O=C(NC1CCC2(CC1)OCCO2)N[C@@H]1C[C@H]1c1ccccc1 67615353 WCVGXWIRDYQFFF-JKSUJKDBSA-N 316.401 2.527 0 40 DFAB COc1ccsc1C(=O)NCc1ccc(-n2cccn2)cc1 69807721 XDVRZAXRJQGTSG-UHFFFAOYSA-N 313.382 2.872 0 40 DFAB COc1cc(F)c(NCC(=O)NCc2cccs2)cc1OC 69974956 LFIUOVISDXFSNZ-UHFFFAOYSA-N 324.377 2.633 0 40 DFAB C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1CN 70175863 QFVFOEBJPWEUHM-GXFFZTMASA-N 300.324 2.905 0 40 DFAB CC(C)c1nc2n(n1)C[C@H](NCc1nc3ccccc3o1)CC2 71871789 JKIWZZXJCWQCRU-GFCCVEGCSA-N 311.389 2.647 0 40 DFAB Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)CC(C)(C)C 55215658 SWDHFNCWYHBTNW-UHFFFAOYSA-N 321.874 2.875 0 40 DFAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc2cccnc12 56951972 WQDHNGFASSQIIK-HNNXBMFYSA-N 322.368 2.863 0 40 DFAB CC(C)(C(=O)NC[C@@](C)(O)c1ccco1)c1ccccc1F 76092378 JOECTYNPDYKXJN-QGZVFWFLSA-N 305.349 2.720 0 40 DFAB Cn1cc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)cn1 681295473 LXMQYXQOEZUQFY-CYBMUJFWSA-N 319.355 2.647 0 40 DFAB Cc1nnc(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)o1 96305405 IQCBZYGGNNKVAI-LBPRGKRZSA-N 320.824 2.910 0 40 DFAB C[C@@H](NCCN1CCCC1=O)c1ccccc1Br 96490705 IMXUOHUBLSRTSX-LLVKDONJSA-N 311.223 2.722 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ncccc2N)C1 1772491082 WGCXJXXKBFMAIE-LBPRGKRZSA-N 306.410 2.723 0 40 DFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2ccncc2)CC1 12117351 KNSRALHEIAUBKC-UHFFFAOYSA-N 324.380 2.759 0 40 DFAB COc1ccc(CC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 13011096 QYMADXVLTIIKMO-MRXNPFEDSA-N 318.442 2.718 0 40 DFAB COc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(C)c1 159279999 IQUPFPOMSDQALQ-NSHDSACASA-N 302.378 2.788 0 40 DFAB CCOC(=O)c1cn(CC2CC2)c2cc(F)c(OC)cc2c1=O 1888924328 GOQYVJYDXZJKCC-UHFFFAOYSA-N 319.332 2.736 0 40 DFAB c1ccc(N2C[C@@H]3CCN(c4ncnc5ccccc45)[C@H]3C2)nc1 1889186925 CTPAVHZJYVPEPI-YOEHRIQHSA-N 317.396 2.740 0 40 DFAB CNc1nnc(SCC(=O)N[C@H](C)c2cccs2)s1 14162186 NLKKXFOBXXHKQV-SSDOTTSWSA-N 314.461 2.611 0 40 DFAB Cc1cc2nc(C3CCN(C4CCCC4)CC3)cc(O)n2n1 2037845589 DOGPVVSSDXZQFA-UHFFFAOYSA-N 300.406 2.865 0 40 DFAB Cc1cc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2cc1C 8772837 JVHSYQLDXSDMAT-UHFFFAOYSA-N 300.402 2.850 0 40 DFAB CCc1nnc(SCCCOc2ccc(C(=O)O)cc2)o1 8731620 FFSAKJWTDZFFMG-UHFFFAOYSA-N 308.359 2.891 0 40 DFAB COc1cc(OC)cc(C(=O)NCCOc2ccc(F)cc2)c1 3094694 VUHGZYRUCCGAID-UHFFFAOYSA-N 319.332 2.652 0 40 DFAB O=C(CCOc1cccc(Cl)c1)NC1CCN(C2CC2)CC1 40091018 GXEYSVKOPJSDDU-UHFFFAOYSA-N 322.836 2.852 0 40 DFAB O=C(Nc1ccc(F)c(F)c1)N1CCN(c2nccs2)CC1 40525891 WVAGVFUDSBEVQG-UHFFFAOYSA-N 324.356 2.775 0 40 DFAB O=C(Cc1coc(-c2ccccc2)n1)NCCCOCC1CC1 32842934 IGFNTTFCOLWQPC-UHFFFAOYSA-N 314.385 2.817 0 40 DFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccccc1)C(=O)C2 103296314 VVHBCEVRBDZMBZ-WMLDXEAASA-N 321.442 2.501 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 41887978 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C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccco2)CC1=O 7882131 RRJRPAYXUZZGQS-DZGCQCFKSA-N 312.369 2.506 0 40 DFAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@H](CO)c2ccccc2)C1 107356834 LOAMOMANUDJZJM-RBSFLKMASA-N 308.447 2.693 0 40 DFAB Cc1cn2nc(N[C@@H]3CCN(C)[C@H]3c3ccccc3)sc2n1 107539172 FQMLNVSTJRJGKF-KGLIPLIRSA-N 313.430 2.957 0 40 DFAB Cc1ccc(=O)n(Cc2ncc(-c3ccc(Cl)cc3)o2)n1 97000909 DXIZOCJOOGAOJR-UHFFFAOYSA-N 301.733 2.908 0 40 DFAB C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccncc1 97032661 XGSHKZVZGYVLEK-LPHOPBHVSA-N 311.429 2.806 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccc(N)cc2)cc1 8764130 GNVQZGKWMJWBCA-UHFFFAOYSA-N 312.369 2.617 0 40 DFAB Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H](CO)c1ccccc1 97047528 OMLIDHOIFLJAFH-SFHVURJKSA-N 321.380 2.644 0 40 DFAB CCCCc1noc(CNc2ccc(OC)cc2C(=O)OC)n1 58151756 MPEQUNQYKGGMTE-UHFFFAOYSA-N 319.361 2.820 0 40 DFAB O=C1O[C@H](C(=O)Nc2cccc3[nH]ccc23)Cc2ccccc21 58175631 YVZFSLZDYLVQOL-INIZCTEOSA-N 306.321 2.888 0 40 DFAB O=C(NCc1ccccc1)Nc1ccn(CCc2ccncc2)n1 58161404 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Cc1nc(CNC(=O)N(Cc2ccncc2)C2CC2)cs1 48273054 ZBOWZNPZNNENLI-UHFFFAOYSA-N 302.403 2.721 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2c(F)cccc2Cl)no1 3382590 QSILGDQQASKEEG-UHFFFAOYSA-N 312.684 2.571 0 40 DFAB CCCn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21 12894029 QPTFITAEFVTZJD-UHFFFAOYSA-N 323.396 2.529 0 40 DFAB Cc1cccc(Cl)c1NC(=O)NCc1nncn1C1CC1 97161901 SSYPWKQLMZOQHC-UHFFFAOYSA-N 305.769 2.897 0 40 DFAB Cc1ccccc1OCCCN[C@H]1CCCCC[C@H]1C(N)=O 97165637 FXSMIHWXVIGVIM-CVEARBPZSA-N 304.434 2.788 0 40 DFAB O=C1CCCN1C1CCN(C/C=C/c2ccc(F)cc2)CC1 93088168 LECDSVLCDLYUFY-HNQUOIGGSA-N 302.393 2.926 0 40 DFAB Cc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)on1 65554753 JRFOJEKAEWAYIK-CYBMUJFWSA-N 315.373 2.629 0 40 DFAB O=C(CSc1ncccn1)N1CCc2[nH]c3ccccc3c2C1 65515853 BAGDBHXXSSMBMF-UHFFFAOYSA-N 324.409 2.635 0 40 DFAB CN(C[C@@H]1COc2ccccc2O1)c1ncnc2ccccc12 14163991 PDZVAOHQDUJDMO-CYBMUJFWSA-N 307.353 2.906 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1 14302423 YLESTYVHADGBKL-IJLUTSLNSA-N 309.435 2.543 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCC(C)CC1 6787420 YKWHFPPXNHRYKK-UHFFFAOYSA-N 309.431 2.707 0 40 DFAB CCNc1nnc(Sc2ncc(Br)cn2)s1 67348559 KPEZADDWAOSVEK-UHFFFAOYSA-N 318.225 2.674 0 40 DFAB CO[C@@](C)(C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccccc1 80718719 PSWPEICVDFXQGI-RGPMPMONSA-N 316.445 2.680 0 40 DFAB COc1ccc([C@H](N[C@@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1 81154946 DCULJYMWDWJHBT-RTBURBONSA-N 324.424 2.913 0 40 DFAB NC(=O)[C@@H](NCCOCc1ccccc1Cl)c1ccccc1 71830916 YYMBRMFRGCZYHP-INIZCTEOSA-N 318.804 2.673 0 40 DFAB Cc1noc(C)c1NC(=O)NCCOc1ccc(F)cc1F 71883760 IRFKAMISANGPNQ-UHFFFAOYSA-N 311.288 2.770 0 40 DFAB CN(C[C@H]1CCCO1)C(=O)Cc1ccccc1Br 71856832 MWZBSXPAXCJIJZ-GFCCVEGCSA-N 312.207 2.629 0 40 DFAB COC[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccco1 95410355 ARANARLZYKBVBS-YOEHRIQHSA-N 324.421 2.598 0 40 DFAB CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1 69849355 USURHXNDSIEERL-SMDDNHRTSA-N 306.431 2.643 0 40 DFAB COC(=O)CCCNC(=O)N1CCC(Cc2ccccc2)CC1 8991679 PCNDKAQMAWDTDJ-UHFFFAOYSA-N 318.417 2.604 0 40 DFAB CCCC(O)(CCC)CC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 95431892 IUVYFKTUCODQHZ-GVDBMIGSSA-N 322.493 2.651 0 40 DFAB C[C@H](NC(=O)N1CCOC[C@H]1c1ccccc1)c1cccnc1 73523813 INWRYDSZGRBPRK-YOEHRIQHSA-N 311.385 2.926 0 40 DFAB CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(CN)nc1C 95982134 UMBNFYKHWJKXGJ-SFHVURJKSA-N 309.413 2.998 0 40 DFAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccnc2)n1 89595843 GCWNOEWDKWOLFG-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCc2[nH]ncc21 89764900 LATRUHGUOMYCNB-KBPBESRZSA-N 317.433 2.828 0 40 DFAB Cc1csc(N(C(=O)c2[nH]nc3c2CCCC3)C2CC2)n1 89705702 XDAHSIOXMWVPMI-UHFFFAOYSA-N 302.403 2.863 0 40 DFAB CCOCc1ccc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc1 75358348 HCHCTNZIUCHONK-KRWDZBQOSA-N 318.417 2.809 0 40 DFAB CC[C@H](OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1)c1ccccc1 34930250 KRRYYKWWKBFUNM-MVJTYMMSSA-N 307.434 2.624 0 40 DFAB C[C@H](C(=O)Nc1cc(CCc2ccccc2)n[nH]1)n1cccn1 77034480 BKCRRMNADSRPEJ-CYBMUJFWSA-N 309.373 2.591 0 40 DFAB O=C(NCc1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 38849949 NSCMHKNNSXWLIO-SFHVURJKSA-N 309.413 2.610 0 40 DFAB CCc1nc(CNC(=O)NC[C@@H](OC)c2ccccc2)cs1 78663519 GLXTZXQKJIABQV-CQSZACIVSA-N 319.430 2.892 0 40 DFAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccncc3)c2c1 31820944 DIXMGCFYCAGERF-UHFFFAOYSA-N 321.336 2.977 0 40 DFAB COc1ccc(-c2noc([C@@H](N)CCSC)n2)cc1OC 36820236 BRIUMIJNJZMYMY-JTQLQIEISA-N 309.391 2.507 0 40 DFAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ncc[nH]2)n1 72355627 KOELJHJVURGKNJ-OAHLLOKOSA-N 308.389 2.636 0 40 DFAB CC(C)(C)[C@@H](NC(=O)CNC[C@H]1CCCO1)c1ccccc1 195543202 RMLCTUKYYYVCPD-WBVHZDCISA-N 304.434 2.659 0 40 DFAB COc1ccc(-n2ncc3c(O)[nH]c(=S)nc32)cc1Cl 85397992 LFXOTDBSSUVIFL-UHFFFAOYSA-N 308.750 2.846 0 40 DFAB CC1(C)CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H]2CCC[C@@H]21 573123987 QLUPIQUMUXYWBJ-LSDHHAIUSA-N 301.386 2.964 0 40 DFAB Cc1cc(C(=O)NCC2CCCCC2)ccc1NS(C)(=O)=O 224088309 ZPYXDCJISOFJLL-UHFFFAOYSA-N 324.446 2.677 0 40 DFAB O=C(Nc1cnc(C2CC2)nc1)N1CCC([C@@H]2CCCO2)CC1 190123468 MXCKYLFJLBFMHO-HNNXBMFYSA-N 316.405 2.777 0 40 DFAB COc1cc(CN[C@H](C(N)=O)c2ccccc2)c2ccccc2n1 96437222 UTYXVVQOVSJWHL-SFHVURJKSA-N 321.380 2.560 0 40 DFAB O=C1N(CC2CC2)CCC12CCN(Cc1cccs1)CC2 96046871 QZDAUNGNTDOEDI-UHFFFAOYSA-N 304.459 2.973 0 40 DFAB CN(CC1CCC1)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 96436504 LKIUHENGQRBNQD-ZIAGYGMSSA-N 310.438 2.938 0 40 DFAB CCc1ncnc2c1CCN(C(=O)CCc1ccccc1)CC2 96255060 KRPNSWPXHOFLHY-UHFFFAOYSA-N 309.413 2.599 0 40 DFAB Cc1cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c(C)o1 97379073 NAQWNKLQQNPWLO-MRXNPFEDSA-N 307.415 2.772 0 40 DFAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)/C=C/c1cccs1 96041467 KBZFVKTXZQKGIE-POZPHBJESA-N 307.415 2.556 0 40 DFAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 1595129934 IJDWXFVMFOWGIT-KGYLQXTDSA-N 309.312 2.934 0 40 DFAB CCc1nc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)no1 96496344 ZWZYFPFQBWQQPI-UHFFFAOYSA-N 319.745 2.534 0 40 DFAB CC(C)(C)c1cc(NC(=O)NCC[S@](=O)C(C)(C)C)no1 96434589 BDBCEQSIDGBGSC-OAQYLSRUSA-N 315.439 2.641 0 40 DFAB Cc1nc(CN2CCCn3cnc(COC(C)C)c3C2)cs1 96259948 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CC1(C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3CC2)CC1 585110454 YAGFTDKLIBPNSQ-UHFFFAOYSA-N 313.376 2.943 0 40 DFAB CCN(C(=O)Cc1csc(C)n1)c1ccccc1C(=O)OC 72288093 YVLVUKBXJCGOTO-UHFFFAOYSA-N 318.398 2.834 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)NCCCn2cccn2)cc1 44977271 AVKCHAHKKMHNAC-ZDUSSCGKSA-N 319.430 2.579 0 40 DFAB Cc1ccccc1-c1cc(NC(=O)[C@H](C)n2cccn2)n(C)n1 74286512 OJOHXONPCUOTKP-ZDUSSCGKSA-N 309.373 2.792 0 40 DFAB CC1(C)CC(NC(=O)c2cnc3ccccc3n2)CC(C)(C)N1 61031741 RRNUOSAMILKQBU-UHFFFAOYSA-N 312.417 2.669 0 40 DFAB CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C1C 5708608 ULYWJHFMFJRYAK-ZDUSSCGKSA-N 308.765 2.873 0 40 DFAB O=S1(=O)C=C(Cl)[C@H](Sc2nc3ccccc3[nH]2)C1 5983558 KDRMJYQDQTWUDZ-SNVBAGLBSA-N 300.792 2.532 0 40 DFAB COc1ccccc1C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1C 12950592 XIWFRAZLFQJSSD-HIFRSBDPSA-N 318.417 2.510 0 40 DFAB Cc1ccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c2c1C 19217965 FQRQOAXIALZVKA-UHFFFAOYSA-N 301.434 2.656 0 40 DFAB CCCc1nnc(S/C(=C\c2ccccc2OC)C(=O)O)[nH]1 7342218 JURRGJAHGNSNAV-XFXZXTDPSA-N 319.386 2.984 0 40 DFAB CCOc1ccc(C(=O)NCC2CCN(C)CC2)cc1OCC 23013637 MOUPPGMUCSPEHH-UHFFFAOYSA-N 320.433 2.556 0 40 DFAB CCN(CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242495500 GFVQKPMGRXIXIO-QAQDUYKDSA-N 319.449 2.505 0 40 DFAB O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cn2c(n1)CCC2 572962138 PDWHTTBJRAWIRS-GFCCVEGCSA-N 301.312 2.680 0 40 DFAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(Cl)c1F 7387717 RUQJGLISMWAVHV-UHFFFAOYSA-N 304.730 2.885 0 40 DFAB Cc1ccc(Cc2nnc(Nc3ccccc3F)[nH]c2=O)cc1 5154329 LMZXUDHKAYLZDZ-UHFFFAOYSA-N 310.332 2.947 0 40 DFAB C[C@@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(S)n1-3 5998354 AXNOTRPMPKXURO-ZCFIWIBFSA-N 316.415 2.618 0 40 DFAB C[C@H]1CCc2sc(NC(=O)c3ccco3)c(C(N)=O)c2C1 5920813 QXLKHYAIEHTQSU-QMMMGPOBSA-N 304.371 2.817 0 40 DFAB O=C1CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2N1 9828270 ICLIJYPWZLETMV-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB CCn1nc(C)c2nc(S)n(-c3ccc(C)cc3)c(=O)c21 575616020 NIXUTFIBRITOSK-UHFFFAOYSA-N 300.387 2.508 0 40 DFAB CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1C 1515483 LMOXMVZMHJCRNQ-UHFFFAOYSA-N 320.370 2.889 0 40 DFAB COc1ncccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 31319761 INNBRVMQYNYSQQ-UHFFFAOYSA-N 324.302 2.968 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2F)C1 40526214 NREBSOJMEQPFEA-GFCCVEGCSA-N 308.353 2.941 0 40 DFAB O=C(CCCc1cccs1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 101170245 ZUOBNLVYHNMXNO-LWWSYDQCSA-N 307.415 2.686 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101266510 AATLTRSTZYMCGM-ZOBUZTSGSA-N 314.404 2.796 0 40 DFAB COCCS[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 32778810 VHYRGLCBXXWQQJ-SNVBAGLBSA-N 305.407 2.638 0 40 DFAB C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2ccccc2)cc1 33004276 WIOSHACMOPSBCK-GUYCJALGSA-N 308.381 2.809 0 40 DFAB O=C1NC(=S)N/C1=C/c1ccc(-c2cccc(Cl)c2)o1 435886 UDMUDWFSORMRJF-YRNVUSSQSA-N 304.758 2.945 0 40 DFAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23019274 DMGDPSLJSPKJKQ-GFCCVEGCSA-N 315.398 2.634 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 23270393 KWBBRAMWKHXYDL-AWEZNQCLSA-N 309.369 2.946 0 40 DFAB CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)=O)cc1 84812108 JHFSYNWVSRRLOF-WBMJQRKESA-N 320.458 2.987 0 40 DFAB Cc1ccc(C2=NN(C(=O)C3CC3)[C@@](O)(C(F)(F)F)C2)cc1 280440 GEEWESRAESHHTM-AWEZNQCLSA-N 312.291 2.592 0 40 DFAB COCCn1cc(NC(=O)N[C@@H]2CCCc3ccccc32)cn1 42958966 JIGOZWVZJLPOOS-MRXNPFEDSA-N 314.389 2.729 0 40 DFAB Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)NC1CC1 24525570 HBAOTUMPWRZLRZ-LBPRGKRZSA-N 301.415 2.940 0 40 DFAB COc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cn1 77705538 VJSLVICAZNDWDY-UHFFFAOYSA-N 300.343 2.794 0 40 DFAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(F)c1F 78898583 IYTWIVRGUDROOB-IAQYHMDHSA-N 308.372 2.701 0 40 DFAB Cc1c([C@@H]2SCC(O)=Nc3c2c(O)nn3C(C)C)cnn1C 79502144 ZVILCPBSJHQTJO-LBPRGKRZSA-N 321.406 2.636 0 40 DFAB CC(C)(C)c1ccc(C(=O)NCC(=O)NC2CCCC2)cc1 3371943 NTBFWPGNVFFWOW-UHFFFAOYSA-N 302.418 2.773 0 40 DFAB Cn1cc([C@H]2CCCN2C[C@@H](O)c2cc(F)ccc2F)cn1 106767968 QRGNDNZCRVWUEW-HZPDHXFCSA-N 307.344 2.569 0 40 DFAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)n2C)c1 25282033 HUSFDFJIAHTYBC-UHFFFAOYSA-N 309.373 2.864 0 40 DFAB CN(C)[C@H](CNC(=O)c1cccc2cn[nH]c12)c1ccsc1 25332251 OXVHXCCJISZRNB-CQSZACIVSA-N 314.414 2.657 0 40 DFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc2ccccc2o1 25494552 JUPWRZINZQTDCI-CQSZACIVSA-N 309.321 2.859 0 40 DFAB CCOC(=O)N[C@H](CC(=O)NC1CCCC1)c1ccccc1 6439168 XHHUHSXPLGVFRP-OAHLLOKOSA-N 304.390 2.923 0 40 DFAB Cc1ccc2nc(CSc3nc4nc(C)cc(C)n4n3)cn2c1 6608380 SGCCTFIVQOJNMB-UHFFFAOYSA-N 324.413 2.990 0 40 DFAB CCOc1ccccc1Nc1nnc(SCC(=O)NC)s1 6623639 GKFRWHLJKNQWJR-UHFFFAOYSA-N 324.431 2.519 0 40 DFAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O 12551237 IRVDZTJQAGXFSM-UHFFFAOYSA-N 323.352 2.730 0 40 DFAB Cc1cc(CN(C)C(=O)[C@H]2COc3ccc(Cl)cc3C2)no1 44916682 WCWHJVQOLPTMBP-GFCCVEGCSA-N 320.776 2.846 0 40 DFAB O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccnc(Cl)c1 58433866 VGFCGBBZYIRUFV-UHFFFAOYSA-N 317.711 2.912 0 40 DFAB CCc1ccc(CNC(=O)Cc2cn3ccsc3n2)s1 36391075 BAXUYZJFHRCHTE-UHFFFAOYSA-N 305.428 2.879 0 40 DFAB C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 108382637 YKTIEJXLFIJRKE-OUJBWJOFSA-N 300.324 2.962 0 40 DFAB Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 45690048 JLLFBMIBDFCNLS-GFCCVEGCSA-N 322.372 2.853 0 40 DFAB CCOc1cccc2c1OCC(C(=O)N[C@@H](C)[C@@H]1CCCO1)=C2 46777399 ZXYYJWPAKYLXSN-WFASDCNBSA-N 317.385 2.545 0 40 DFAB COc1ccc(CCNc2nn3cnnc3c3ccccc23)cc1 27913098 QEYOCSASKOZFKQ-UHFFFAOYSA-N 319.368 2.941 0 40 DFAB Cc1nn(C[C@@H](O)c2cc(F)ccc2F)c(=O)c2ccccc12 48355480 VMADPDCMEUQJPY-MRXNPFEDSA-N 316.307 2.717 0 40 DFAB Cc1cc(=O)n2nc(N[C@@H](C)CCc3ccccc3)sc2n1 12888679 UWIYWZXQEVFQSF-NSHDSACASA-N 314.414 2.893 0 40 DFAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc2ncsc2c1 3479106 QFKFYSKJASAQNO-SNVBAGLBSA-N 306.387 2.758 0 40 DFAB COCc1cccc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)c1 48405379 ICSDOEKOFMUDBU-ZDUSSCGKSA-N 315.417 2.712 0 40 DFAB COc1ccc(C(=O)COC(=O)c2ccc(F)cc2)cc1OC 3510078 WQXXTGTULBTTBK-UHFFFAOYSA-N 318.300 2.883 0 40 DFAB C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1cccnc1 95965092 WXUSTKGXERZYNN-NSHDSACASA-N 306.797 2.976 0 40 DFAB O=C(O)[C@H]1CCCCN1Cc1sccc1Br 13115472 RVMKWNHYLRLCQK-SECBINFHSA-N 304.209 2.950 0 40 DFAB CS(=O)(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 49335930 FKGHVDLZYATYSL-LBPRGKRZSA-N 318.236 2.840 0 40 DFAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCSCC3)c12 49544247 CWMMCVHXQJUAGH-UHFFFAOYSA-N 305.403 2.844 0 40 DFAB CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](O)C1 74539696 POGOPAHXQRKOFY-IAGOWNOFSA-N 304.434 2.954 0 40 DFAB COc1ccc(Cl)cc1CCNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110681388 DTFIWVVIBGLCOQ-VNHYZAJKSA-N 324.808 2.510 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1 65578845 JKWNELWWXMTWHC-ZDUSSCGKSA-N 317.389 2.749 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1 14141994 QNJZHQNBFUHFQV-ZDUSSCGKSA-N 303.406 2.848 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C(C)=O)c1)C(=O)OC 5429363 GIMLTODBTVGURH-IINYFYTJSA-N 306.362 2.598 0 40 DFAB CN1CC[C@](O)(c2cccs2)[C@H](C(=O)c2cccs2)C1 4743747 IZGIMADVKMVTHI-XHDPSFHLSA-N 307.440 2.832 0 40 DFAB COc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(C)c2)c1 4982848 KBLIAYIHUIJJIS-UHFFFAOYSA-N 315.325 2.505 0 40 DFAB O=C(c1ccc(N2CCc3ccccc3C2)nc1)N1CCCC1 15525246 UWPHSSIMPDTEJJ-UHFFFAOYSA-N 307.397 2.880 0 40 DFAB CC(=O)Nc1cccc(-c2cncc(C(=O)N3CCCCC3)n2)c1 67947176 LRXLMAQJUJDNMA-UHFFFAOYSA-N 324.384 2.728 0 40 DFAB CCOc1cc(OCC)cc(C(=O)NCc2cccnc2)c1 15932424 OYJMUUPKNUMOBK-UHFFFAOYSA-N 300.358 2.809 0 40 DFAB C[C@H](c1ccc(F)cc1F)N1CCN([C@@H]2CCCN(C)C2)CC1 71909031 PRERJOMIHIBBEO-GDBMZVCRSA-N 323.431 2.738 0 40 DFAB COc1ccc(S(=O)(=O)NC2CCC(C)CC2)c(OC)c1 17052488 YEWHUDGRLCIGQN-UHFFFAOYSA-N 313.419 2.561 0 40 DFAB CCN(CC)C(=O)c1nnn(-c2ccccc2)c1C(F)(F)F 69416405 AVORTECASZSQLU-UHFFFAOYSA-N 312.295 2.768 0 40 DFAB COc1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1 69442193 CRKGAWMJZXPFGI-MLGOLLRUSA-N 324.380 2.703 0 40 DFAB COCc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9743158 ZPOCTTVFZUJLSN-UHFFFAOYSA-N 324.380 2.978 0 40 DFAB CNC(=O)Nc1cc(I)ccc1Cl 89391656 KGDNZBLSXUMOKY-UHFFFAOYSA-N 310.522 2.696 0 40 DFAB COc1ccccc1CNC(=O)CCc1nc2ccccc2[nH]1 8746563 QVCCXWGGXACCSC-UHFFFAOYSA-N 309.369 2.821 0 40 DFAB Cc1cccnc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 9865781 WXPASDXTWRKFOA-UHFFFAOYSA-N 318.760 2.996 0 40 DFAB CC(C)c1cc(C(=O)O[C@H](c2cnn(C)c2)C(F)(F)F)on1 70864719 MOCVFTFLVGUOEL-LLVKDONJSA-N 317.267 2.992 0 40 DFAB COc1ccc(CNc2cncc(-n3ccnc3C)n2)cc1C 92893998 PTJZGAYEHQIYKI-UHFFFAOYSA-N 309.373 2.900 0 40 DFAB O=C(NC[C@H]1Cc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 97049227 MFEADFIYOVEEPB-RHSMWYFYSA-N 310.401 2.986 0 40 DFAB COCc1c(Cl)cccc1NC(=O)N(C)Cc1noc(C)n1 97080890 BLVOLJQQYRSAGC-UHFFFAOYSA-N 324.768 2.842 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cscn1)c1ccccc1Cl 97017409 CXUBUCOFCYYRCE-JTQLQIEISA-N 310.762 2.742 0 40 DFAB CC[C@H](C)NC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 95965319 BAWTWPXLMAHMIK-DZGCQCFKSA-N 306.406 2.760 0 40 DFAB COc1cccc2cc([C@H](C)NC[C@]3(O)CCSC3)oc12 95987980 KVDQWBSTQREXDE-MEDUHNTESA-N 307.415 2.960 0 40 DFAB C[C@H](CN1C(=O)N[C@](C)(C2CC2)C1=O)Sc1ccccc1 97232260 YYWRQLICJYFLRW-BDJLRTHQSA-N 304.415 2.888 0 40 DFAB Cn1cnc2cc(C(=O)Nc3ccc(Cl)cc3O)cnc21 97235679 LRZWCTBBVGHIPA-UHFFFAOYSA-N 302.721 2.580 0 40 DFAB CCc1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)s1 97379312 JXKCLUMEPCOAEJ-UHFFFAOYSA-N 301.393 2.618 0 40 DFAB C[C@H](c1ccccc1F)N1CCN(CCCn2ccnc2)CC1 95987346 PNNVJGSNAMLUOB-MRXNPFEDSA-N 316.424 2.791 0 40 DFAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H]1C=C[C@H](CO)C1 89651286 WXUBCFXWALVJQH-DZGCQCFKSA-N 323.458 2.508 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 89917491 LWMZVJWMTZIHJA-SIRPWMCASA-N 314.429 2.903 0 40 DFAB O=C(NCc1cccnc1)N[C@H](c1ccccc1)[C@H]1CCCO1 75582408 WXZRYARMOGXTAY-IAGOWNOFSA-N 311.385 2.801 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)CCOCc2ccccc2)no1 76043118 NGBIAVQUGKYDNI-HNNXBMFYSA-N 315.373 2.648 0 40 DFAB CCOc1cccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1 20141430 FQLQMKOJICDMOE-UHFFFAOYSA-N 301.298 2.741 0 40 DFAB O=C(NC1CCN(CC2=CCCCC2)CC1)c1ncccc1F 1003845330 VBPULRNPARSJQF-UHFFFAOYSA-N 317.408 2.915 0 40 DFAB Cc1nc(NC[C@@H](O)c2ccncc2)c2c(C)csc2n1 127963124 RVJNDJCKWBFKCN-GFCCVEGCSA-N 300.387 2.849 0 40 DFAB Cc1ccc(C)c(OCc2ccc(C(=O)NCCCO)o2)c1 32648061 MSVYNRHYSIUSGM-UHFFFAOYSA-N 303.358 2.588 0 40 DFAB NC(=O)c1ccc(-c2cccc(I)c2)o1 216872752 FKZBJXKZXMNAAX-UHFFFAOYSA-N 313.094 2.650 0 40 DFAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1 33312333 YBNZLUGFUKPBNV-YBEGLDIGSA-N 322.389 2.774 0 40 DFAB COc1ccc(-c2c(C(=O)O)nnn2-c2ccc(F)cc2)cc1 62267325 ZAKQIKJGAKYFJY-UHFFFAOYSA-N 313.288 2.780 0 40 DFAB COc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C)c1 72239275 RBHLNIRMCWRYIG-UHFFFAOYSA-N 309.391 2.582 0 40 DFAB O=C(COC(=O)Cc1ccc(F)cc1)NCCC1=CCCCC1 72331074 NAPFFPORKMOTMX-UHFFFAOYSA-N 319.376 2.918 0 40 DFAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)n1 41121788 SMNHIDAPVGDJEO-JKSUJKDBSA-N 311.385 2.888 0 40 DFAB COC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OC 225792303 AIAXKFGIBSZPBN-QGZVFWFLSA-N 323.389 2.872 0 40 DFAB Cn1cccc1[C@H]1COCCN1CCc1ccc2c(c1)CCO2 131794859 SLXMXDZVCPBDFX-GOSISDBHSA-N 312.413 2.576 0 40 DFAB COc1ccc(CCCC(=O)NCc2ccnc(C)n2)cc1F 84530480 ONZCBRYVXXYXND-UHFFFAOYSA-N 317.364 2.572 0 40 DFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NC2CCC2)cc1 225432895 HUUPAXWCXHOLPZ-JTQLQIEISA-N 316.357 2.686 0 40 DFAB biogenic,in-vitro CC(C)N(C[C@H]1C[C@H]2C=C[C@@H]1C2)C(=O)c1nccn2ccnc12 195532338 VNULNQAIGJFCEF-RRFJBIMHSA-N 310.401 2.792 0 40 DFAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CC 223513088 VHINTQVFDYIURQ-AWEZNQCLSA-N 320.433 2.739 0 40 DFAB O=C(NCc1cnn2c1CCCC2)c1ccc(C(F)(F)F)nc1 225611360 CSGLQUZDXGYNMK-UHFFFAOYSA-N 324.306 2.563 0 40 DFAB CC[C@@]1(CO)CCCN1C(=O)N[C@H](C)c1ccc(F)c(F)c1 190439444 OIDCGZBNOLZOPY-BZNIZROVSA-N 312.360 2.972 0 40 DFAB COc1cccc(OCCNC(=O)CCc2ccccc2F)c1 225153790 UUBOZAVUHFCYDP-UHFFFAOYSA-N 317.360 2.962 0 40 DFAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCc3cnccc32)c1 191140121 BYRLUKYHPDSZEL-GOEBONIOSA-N 324.380 2.792 0 40 DFAB CCOc1ccncc1S(=O)(=O)N1Cc2ccccc2[C@@H]1C 332220680 LTHGPDAWMGZLDK-LBPRGKRZSA-N 318.398 2.746 0 40 DFAB Cc1cccn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1=O 96008400 CTDSTWYBGMIPFD-UHFFFAOYSA-N 318.739 2.578 0 40 DFAB Cc1nc(NC[C@H]2OCCc3ccccc32)c2nc(C)oc2n1 91677238 NULCQPWMQIEYHN-CQSZACIVSA-N 310.357 2.961 0 40 DFAB Cc1nc(NCc2nc3c(s2)CCCC3)c2cnn(C)c2n1 95352626 MAGIUSCLSOTSKK-UHFFFAOYSA-N 314.418 2.619 0 40 DFAB COC(=O)c1ccccc1N(C)C(=O)CCc1cncc(F)c1 97102047 SOBRIHOUXGTWAK-UHFFFAOYSA-N 316.332 2.603 0 40 DFAB CCNc1nc(C)c(C(=O)NCC[C@H](O)c2ccccc2)s1 96468268 WYOPYJWSFHYLNT-ZDUSSCGKSA-N 319.430 2.737 0 40 DFAB COc1ccc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1F 97378820 ZKNZSKXHLIOAQS-BBRMVZONSA-N 322.380 2.591 0 40 DFAB COc1ccc(C(=O)NC[C@@H](O)c2c(F)cccc2F)c(C)c1 96437389 JDDHJFBARVNUGZ-OAHLLOKOSA-N 321.323 2.745 0 40 DFAB CC(C)Nc1ncccc1C(=O)NCCc1ccn(C(C)C)n1 96437107 QGSBWKNODCFATF-UHFFFAOYSA-N 315.421 2.652 0 40 DFAB O=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1ccccn1 96050789 OQXKELBLMAWPNJ-KRWDZBQOSA-N 313.426 2.772 0 40 DFAB CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1Cc1ccccc1 248240537 BHSQQNRNUQVUSQ-ULQDDVLXSA-N 315.413 2.952 0 40 DFAB O=C(C=C(C1CC1)C1CC1)OCc1cc(=O)n2ccsc2n1 64835299 YEEWUCRPBJIRNB-UHFFFAOYSA-N 316.382 2.546 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)n1 257253351 JYNPISTUDXABDY-OAHLLOKOSA-N 318.380 2.963 0 40 DFAB Cc1cccnc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257238672 HLZKNZUNUBEBDC-OALUTQOASA-N 312.413 2.794 0 40 DFAB Cc1cc([C@H]2CCCN([C@@H](C)c3nc(C4CC4)no3)C2)n[nH]1 78901013 UAZUWDMLONBGLS-AAEUAGOBSA-N 301.394 2.919 0 40 DFAB c1cc(Nc2ccc3nnnn3n2)cc(N2CCCCCC2)c1 77235397 NZCXXIZQJXARRP-UHFFFAOYSA-N 309.377 2.643 0 40 DFAB CN(C)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 74809576 IMKLASVFVSHSMK-SJORKVTESA-N 312.417 2.863 0 40 DFAB COC(=O)c1ccc(NC(=O)NOCc2ccccc2)cc1 61305362 LRDIICULUMXCTC-UHFFFAOYSA-N 300.314 2.727 0 40 DFAB CC(C)(C)NC(=O)N1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 75170359 YDKHEVHLYRXVSV-HNNXBMFYSA-N 321.465 2.679 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1 83843732 YPRXFFKUTZWTDP-RDJZCZTQSA-N 315.417 2.837 0 40 DFAB CSC[C@@H](NC(=O)N[C@](C)(CO)C1CC1)c1ccccc1 95966599 KCJXOEFLXQOKCI-GDBMZVCRSA-N 308.447 2.551 0 40 DFAB NC(=O)c1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102236507 GTNPCJHERJIEQD-NHCYSSNCSA-N 316.426 2.877 0 40 DFAB c1ccc2c(N3CCN(C[C@@H]4CCCO4)CC3)nsc2c1 1207849811 GKYVWGVWLKCVPG-ZDUSSCGKSA-N 303.431 2.597 0 40 DFAB COc1ccc(C)cc1NC(=O)Cc1ccc2c(c1)OCCO2 5701250 AKABLAINPOSKOM-UHFFFAOYSA-N 313.353 2.956 0 40 DFAB O=C(CNC(=O)c1ccccc1)OCc1ccc(F)cc1Cl 11080297 HKKCZBGEKHOHFK-UHFFFAOYSA-N 321.735 2.952 0 40 DFAB Cn1c(=O)sc2cc(NC(=O)c3ccc(F)cc3)ccc21 15785764 BLPNWIVSTQEMAU-UHFFFAOYSA-N 302.330 2.991 0 40 DFAB CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19021216 QHOGGXYRZJGYLR-UHFFFAOYSA-N 306.837 2.972 0 40 DFAB c1ccc(CN2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19372346 YTFJFSPTDHVYOU-MRXNPFEDSA-N 308.429 2.502 0 40 DFAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccccn1 575605152 AEGJBFSXXJZTLB-UHFFFAOYSA-N 322.315 2.688 0 40 DFAB Cc1cc(C)cc(OCCNc2cc(-n3cccn3)ncn2)c1 1888914329 GBQIWDLIYPYUQN-UHFFFAOYSA-N 309.373 2.770 0 40 DFAB Cc1ccc(F)c(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 15602070 ZHMPPNIMHUEZJL-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB C[C@@H](CC(=O)N1CCc2ccccc21)NC(=O)c1ccccc1 25378662 UULHBVXEQQRCTF-AWEZNQCLSA-N 308.381 2.784 0 40 DFAB COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1 1425915 ZTQIQQGRCNJUPF-UHFFFAOYSA-N 321.340 2.725 0 40 DFAB O=C(NC[C@H](c1ccco1)n1cccn1)Nc1cccs1 575613669 JUSBZVMOXUFVMH-LLVKDONJSA-N 302.359 2.949 0 40 DFAB O=C1CCC(=O)N1CN(Cc1ccccc1)Cc1ccccc1 19371523 HSHWVWCUIAASBA-UHFFFAOYSA-N 308.381 2.795 0 40 DFAB CCCCNC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 40018140 GIFYZWHYNUZOKB-OAHLLOKOSA-N 316.405 2.617 0 40 DFAB Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1C 50041254 LDWQXMYQILNERE-UHFFFAOYSA-N 308.337 2.782 0 40 DFAB O=C(Nc1cc(N2CCCCC2)ncn1)C(Cl)(Cl)Cl 82162 JXZPFTLBOOQSNS-UHFFFAOYSA-N 323.611 2.776 0 40 DFAB CNC(=S)NNc1nc2ccccc2nc1-c1ccccc1 176689 CKAIHLQAPXJPIG-UHFFFAOYSA-N 309.398 2.718 0 40 DFAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCCc2ccccc21 40548617 UPHQUFYELPPXQV-ZFWWWQNUSA-N 300.402 2.518 0 40 DFAB C[C@H](CNC(=O)/C=C/c1ccco1)N1CCc2sccc2C1 31964797 XDZAJZSXZDSWPI-MUBLQREKSA-N 316.426 2.917 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1cccnc1)c1ccsc1 31987848 GJJMYYRUYHPMDG-HNNXBMFYSA-N 303.431 2.956 0 40 DFAB Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1F 32778156 QGGDAOTZXBLCFJ-UHFFFAOYSA-N 310.332 2.645 0 40 DFAB Cc1cc(C)c2c(n1)sc1c(=O)n(-c3ccccc3)c(=O)[nH]c12 383322 NXWBERXPZCZKOR-UHFFFAOYSA-N 323.377 2.906 0 40 DFAB CO[C@@]12C=C[C@@H](CC1)c1c(OC(C)=O)ccc(OC(C)=O)c12 478158 IDPSCUDVMCQJAF-SJCJKPOMSA-N 302.326 2.826 0 40 DFAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCNc1ncccn1 53396041 BJTUCPBHYKZDHF-LBPRGKRZSA-N 318.808 2.679 0 40 DFAB CCCCS(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 53645709 IYYPYVMKKCQXDJ-UHFFFAOYSA-N 319.430 2.782 0 40 DFAB Cc1cc(C)n2nc(Sc3cnc4ccccc4n3)nc2n1 54056589 IGTIWTPXNSJQJB-UHFFFAOYSA-N 308.370 2.836 0 40 DFAB NC(=O)C1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 23751742 XRHUDXCLKGACPD-UHFFFAOYSA-N 319.405 2.647 0 40 DFAB Cc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1 317793 CAGSVWHASYJWOK-CYBMUJFWSA-N 307.353 2.905 0 40 DFAB COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 482593 RQRWFVHCUGQCCX-UHFFFAOYSA-N 317.341 2.973 0 40 DFAB biogenic CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(C)c1C(C)=O 1016748 IIBFVLDEUZXTHV-UHFFFAOYSA-N 316.357 2.959 0 40 DFAB CCCC[C@@H](CC)CNS(=O)(=O)c1cccc(C(=O)O)c1 2035316 PJKTXMFZYUIVFX-GFCCVEGCSA-N 313.419 2.880 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)oc2ccccc21 2602251 FWGWAHUFKPNEHJ-OLZOCXBDSA-N 302.374 2.680 0 40 DFAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1 2715840 DPCOJAFOIQGYOQ-UHFFFAOYSA-N 308.341 2.837 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccc(Cl)nc1)c1ccccc1 3319431 QCXXPCIZZLZHMY-NSHDSACASA-N 318.760 2.769 0 40 DFAB O[C@H](CNCc1cccnc1)COc1ccc2ccccc2c1 4934532 OOFWPLXJSGDHKB-GOSISDBHSA-N 308.381 2.764 0 40 DFAB CCC(C)(C)NS(=O)(=O)c1cccc(Br)c1 5120663 VPRKWRFPKUVDHL-UHFFFAOYSA-N 306.225 2.916 0 40 DFAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)c1 6533290 RXZREQYDJQIEKN-JTQLQIEISA-N 302.403 2.621 0 40 DFAB O=C(Cn1nnc(-c2cccs2)n1)c1ccc(Cl)s1 7330981 LWJASYBYECMMQV-UHFFFAOYSA-N 310.791 2.999 0 40 DFAB CC[C@H](Nc1ccc(OC)cc1)C(=O)Nc1nnc(C)s1 7467733 CXSDOIOQUMSMFN-LBPRGKRZSA-N 306.391 2.684 0 40 DFAB COC(=O)CCS[C@@H](C)C(=O)Nc1cccc(Cl)c1 7658360 DJNCQZYYUVZHTE-VIFPVBQESA-N 301.795 2.963 0 40 DFAB COc1cc2c(cc1[C@@H]1NC(=O)c3ccccc3N1)O[C@H](C)C2 9157351 RJUMDRKDQLYBTP-QGHHPUGFSA-N 310.353 2.873 0 40 DFAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 9218627 BNHOYGSEZPJJSA-OAHLLOKOSA-N 315.373 2.742 0 40 DFAB O=C1C[C@H](c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1 9318144 KINFPVWJGMJHBZ-NSHDSACASA-N 324.315 2.791 0 40 DFAB CCOC(=O)c1cc(C)n(CC(=O)Nc2ncc(C)s2)c1C 9749420 QLOIPRIUSYMZOA-UHFFFAOYSA-N 321.402 2.685 0 40 DFAB COc1cc(NC(=O)CCc2c(C)nn(C)c2C)cc(OC)c1 10511402 TWJYVXWPKZNNIH-UHFFFAOYSA-N 317.389 2.625 0 40 DFAB CC(C)NC(=O)CCc1csc(NC(=O)c2ccccc2)n1 11835340 UQLHNCAMRXEBIM-UHFFFAOYSA-N 317.414 2.853 0 40 DFAB Cc1cccc(CN2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)n1 12144163 KGNXJHYIVQJZSC-AEFFLSMTSA-N 315.461 2.859 0 40 DFAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)no1 12852269 URDXKXSYMAVIDW-INIZCTEOSA-N 324.384 2.636 0 40 DFAB COc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1OC 12860429 PTBJEKXUPODBBN-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB COc1cc(C(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1 13419508 XKLPVEXBQCNHDB-UHFFFAOYSA-N 315.325 2.719 0 40 DFAB CCC[C@@H]1C[C@@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@@H]2O1 14594805 VAYQNUBOZLPGDH-YKHWKNEFSA-N 308.330 2.579 0 40 DFAB biogenic COc1ccc(CNC(=O)c2ccccc2OC)cc1OC 15307052 PMHHEEDCBOEOPV-UHFFFAOYSA-N 301.342 2.642 0 40 DFAB C[C@H]1CN(Cn2nc(-c3ccccc3)oc2=S)C[C@@H](C)O1 16075345 QALJCPHZFILQJP-TXEJJXNPSA-N 305.403 2.939 0 40 DFAB CC(=O)Nc1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 16890598 DMQCLWYIBFXDKA-UHFFFAOYSA-N 323.805 2.614 0 40 DFAB Oc1cc(CSc2nc3ccccc3s2)nc2ncnn12 17027237 CVHRSXXAFCABQU-UHFFFAOYSA-N 315.383 2.732 0 40 DFAB O=C(Nc1cc(F)cc(F)c1)c1ccc(-n2cccn2)nc1 19910482 UAFUTXQRTZHXNE-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(c2ccccc2)C1 21346470 KXNVDWPYBLWSNB-NSHDSACASA-N 316.307 2.956 0 40 DFAB COc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cs2)cc1 21836025 JQDPMIYFBWBHAZ-CYBMUJFWSA-N 318.398 2.728 0 40 DFAB COC(=O)CC/C(C)=C/Cc1c(O)c(C)c2c(c1O)C(=O)OC2 22005880 ONBUUVPMBJOPQE-RUDMXATFSA-N 320.341 2.519 0 40 DFAB in-vitro O=C(NCCOc1ccc2c(c1)OCO2)c1ccccc1Cl 22480564 VWRMXEZTYAXLTN-UHFFFAOYSA-N 319.744 2.878 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142608 DHSYSALQFVCCAA-HNNXBMFYSA-N 322.412 2.639 0 40 DFAB CC(=O)N[C@H](C(=O)Oc1ccccc1Br)C(C)C 24021340 IUILYZFBQUHCHM-LBPRGKRZSA-N 314.179 2.515 0 40 DFAB CC[C@H](CNC(=O)c1ccc(C)nc1)N1CCc2ccccc2C1 29912303 MFGOYKQJTVFYCY-LJQANCHMSA-N 323.440 2.957 0 40 DFAB CC(C)OC(=O)CCNC(=O)N(C)[C@H](C)c1ccc(F)cc1 32865788 ZJAZGURLIORNPN-GFCCVEGCSA-N 310.369 2.870 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 33977644 JVEWXTLFKFWQPU-XLYKAYJISA-N 306.446 2.930 0 40 DFAB O=C(NCc1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1 36397523 NQIJMZRXGLNQRW-UHFFFAOYSA-N 312.760 2.851 0 40 DFAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cnccn1 38753045 RSWFWYLMDFUZCQ-UHFFFAOYSA-N 314.732 2.715 0 40 DFAB Cc1occc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 40510512 ICFJJYOTVSEXCI-UHFFFAOYSA-N 313.279 2.844 0 40 DFAB O=c1ccc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1 40555795 IDIZDFRMBWLIRS-UHFFFAOYSA-N 319.313 2.733 0 40 DFAB CCc1noc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122305 HZICWOJCEFRKIC-GFCCVEGCSA-N 306.410 2.854 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NCc1cccc(Cl)c1 44892280 QPDRWAXRVWMAFQ-UHFFFAOYSA-N 305.809 2.939 0 40 DFAB COC[C@H](C)N(C)C(=O)c1csc(-c2ccc(OC)cc2)n1 44970015 NVILGMMXMVBAIY-NSHDSACASA-N 320.414 2.926 0 40 DFAB CC(C)Cn1nnnc1SCc1nc(-c2ccsc2)no1 45650590 IPMVHEFLCJVODC-UHFFFAOYSA-N 322.419 2.733 0 40 DFAB C[C@H](NC(=O)c1ccccc1F)c1ccc(NC(N)=O)cc1 45782864 ACSFJZBZWHZFGQ-JTQLQIEISA-N 301.321 2.807 0 40 DFAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1 47608255 CDMFBDCOYFVVSR-SFHVURJKSA-N 321.424 2.883 0 40 DFAB CCOCCO[C@@H](C)C(=O)N[C@H](C)Cc1cccc(Cl)c1 57489322 LLBALLFEGKDIEK-OLZOCXBDSA-N 313.825 2.829 0 40 DFAB CCOCCO[C@H](C)C(=O)NCCc1ccc(Cl)s1 57493792 ITIUOZJYCMPVNS-SNVBAGLBSA-N 305.827 2.502 0 40 DFAB CCOCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 57502780 YCJSELWJCLYOKQ-WMLDXEAASA-N 323.408 2.801 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3=O)no1 58294838 DKQJSYYQWCPTET-LLVKDONJSA-N 314.341 2.908 0 40 DFAB COCc1cccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 58343546 WNSDTYOBVWELOO-DLBZAZTESA-N 312.369 2.613 0 40 DFAB CCOc1ccccc1NC(=O)NCc1ccccc1CO 58369116 XXSYLGDKVWWGEJ-UHFFFAOYSA-N 300.358 2.899 0 40 DFAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2ccc(O)cc2)no1 58379081 KDIFHTRUDRJVCN-OAHLLOKOSA-N 315.373 2.854 0 40 DFAB CC1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3O)C2)CC1 58404561 CMPGLPUZZRFDDJ-INIZCTEOSA-N 316.445 2.976 0 40 DFAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1 58406919 IHIHRJJWSGWNBM-QGZVFWFLSA-N 324.384 2.564 0 40 DFAB CCC[C@@H]1CCCN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC1 61297659 QUZXHOHPWAFJLK-OAHLLOKOSA-N 319.449 2.748 0 40 DFAB Cc1cc([C@H]2CCCN2Cc2cnc3c(c2)c(C)nn3C)on1 69161148 JZSYTRXGSYCXCX-OAHLLOKOSA-N 311.389 2.910 0 40 DFAB COc1ccc([C@@H]2C[C@@H]2NC(=O)C(=O)Nc2ccccc2C)cc1 69567003 RVBFNARMDJUHIS-RDJZCZTQSA-N 324.380 2.614 0 40 DFAB 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Cc1nc(S(=O)(=O)Cc2ccccc2Cl)nc2c1CCC2 3028777 PKDYEQJIQDWHRT-UHFFFAOYSA-N 322.817 2.901 0 40 DFAB O=C(CCOc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 24475292 CFHZCVAIEOGAEL-UHFFFAOYSA-N 303.289 2.962 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCSCC1 43135869 CKFDKQXOBZKRQX-CQSZACIVSA-N 323.462 2.565 0 40 DFAB Cc1cc([C@](C)(O)CNC(=O)Nc2ccc(Cl)nc2)c(C)o1 78936765 PEQRDZNJTORDCD-OAHLLOKOSA-N 323.780 2.974 0 40 DFAB CC[C@@H]1CN(CCCOc2cccc(C)c2)CCN1C[C@H](C)O 106929731 JJJBZZHCQCYHHG-ZWKOTPCHSA-N 320.477 2.541 0 40 DFAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 6274773 YQYPTKSYMYRQKM-UHFFFAOYSA-N 303.387 2.714 0 40 DFAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1Cl 6800768 WUMZLBLTZWBWGL-UHFFFAOYSA-N 311.746 2.870 0 40 DFAB CCO[C@@H](CC)C(=O)N(C)CC(=O)Nc1ccccc1Cl 57184078 OXTACVMQYLTGJC-ZDUSSCGKSA-N 312.797 2.552 0 40 DFAB CCOC(=O)N[C@@H]1[C@H](NC(=O)OCC)[C@@H]2CC[C@]1(C)C2(C)C 100364858 QLDRUUOHQNVXRC-LGSVPQMISA-N 312.410 2.672 0 40 DFAB Cc1cccc(C)c1OCC(=O)Nc1cccnc1-n1cccn1 12545212 OGNUEVFLVBPMAW-UHFFFAOYSA-N 322.368 2.902 0 40 DFAB Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2)c1 72295116 XNEZDTIRPQTJRU-CYBMUJFWSA-N 314.360 2.993 0 40 DFAB COc1ccccc1[C@H](C)Nc1nn2c(=O)cc(C)nc2s1 44895695 NEYNWWPIYOKDLG-JTQLQIEISA-N 316.386 2.641 0 40 DFAB COc1cccc(NC(=O)c2ccc(N3CCOC3=O)cc2)c1 58230932 JAKYEXHPHWJAOR-UHFFFAOYSA-N 312.325 2.904 0 40 DFAB Cn1c(Cn2cc(C(F)(F)F)ccc2=O)nc2ccccc21 58227574 QURMWUDCOVVOGY-UHFFFAOYSA-N 307.275 2.802 0 40 DFAB CN(C)CCn1c(=O)oc2ccc(NC(=O)CC(C)(C)C)cc21 58280091 MEPYBFZTJPAUEA-UHFFFAOYSA-N 319.405 2.531 0 40 DFAB Cn1nccc1C1CCN(Cc2nnc(-c3ccccc3)o2)CC1 58326262 RSOIMXQKBVQJQV-UHFFFAOYSA-N 323.400 2.850 0 40 DFAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)NC1CCCCCC1 27939923 LMIVWHZCEZWSGH-GFCCVEGCSA-N 322.405 2.930 0 40 DFAB c1cnc2c(COc3ccc(-n4cnnn4)cc3)cccc2c1 10857849 VDNOWXWDQJYNDO-UHFFFAOYSA-N 303.325 2.790 0 40 DFAB O=C(c1ccncc1F)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 95429903 OWURKDYIZBYIEG-MRXNPFEDSA-N 318.323 2.698 0 40 DFAB COc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1OC(F)F 29720860 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2.634 0 40 DFAB CCC(=O)N1CCC(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 95448586 PPVDBLYFRJSEKL-SUMWQHHRSA-N 322.424 2.628 0 40 DFAB CN[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 580659204 RLUXPFZVTPHLOD-OAHLLOKOSA-N 312.413 2.832 0 40 DFAB Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2ccsc2)c(C)o1 96444506 RVACKADWCBIDGA-APHBUQMISA-N 305.399 2.995 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1(C)C 96418968 HQRYTLJSPBFKKC-CVEARBPZSA-N 321.465 2.632 0 40 DFAB C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccco1 96109733 ZSSOGKJQWMQXMQ-ZDUSSCGKSA-N 301.390 2.980 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1C[C@H]1c1ccccc1 96346635 MCOFYCMKEYZMBP-IQJOONFLSA-N 308.592 2.595 0 40 DFAB CCOc1ccc2nc(SCc3nonc3N)sc2c1 98087239 PFBYPKWSTYQCFN-UHFFFAOYSA-N 308.388 2.953 0 40 DFAB CCN(C(=O)CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 245289960 GHKSRCZTGOCCHD-CGTJXYLNSA-N 316.445 2.785 0 40 DFAB Cc1ncccc1C(=O)N1CCCC[C@@H]1c1ccn2ccnc2n1 257281447 OPFDHOXOMPQORK-MRXNPFEDSA-N 321.384 2.800 0 40 DFAB 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40 DFAB COc1ccc(C(=O)OCC[C@H]2CCCCN2C)cc1OC 78253949 WZGUCSNTEAGKRF-CQSZACIVSA-N 307.390 2.735 0 40 DFAB CCCc1nnc(S)n1CC(=O)NCC1CCCCCCC1 78648422 BRONNCGUGKCJGZ-UHFFFAOYSA-N 324.494 2.996 0 40 DFAB CC(C)n1cnc2cc(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)ccc21 78896522 DSECYYRIIGTQTE-GUYCJALGSA-N 314.433 2.639 0 40 DFAB C[C@H](Cc1ccccc1Cl)NC(=O)CCc1cnn(C)c1 55384739 CXRXWFZDOVQOMD-GFCCVEGCSA-N 305.809 2.754 0 40 DFAB CCCN(C)C(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1 1618714 KJLNOXBDSCSDQV-UHFFFAOYSA-N 318.826 2.812 0 40 DFAB COc1ccc(CCC[C@H]2C(=O)C[C@H](C)OC2=O)cc1OC 1706016 QTWZJCZWBIOKLG-AAEUAGOBSA-N 306.358 2.547 0 40 DFAB CCCCC1=NN(C(=O)c2ccco2)[C@](O)(C(F)(F)F)C1 4009304 BAKNXGNQZCUCSC-GFCCVEGCSA-N 304.268 2.923 0 40 DFAB O=C(CSc1ccc(-c2ccco2)nn1)NC1CCCC1 4357727 NDAJURCJZUVTDG-UHFFFAOYSA-N 303.387 2.888 0 40 DFAB CCCCn1nnnc1SCC(=O)Nc1c(C)cccc1C 4882938 NFACVWNXGUUYAT-UHFFFAOYSA-N 319.434 2.821 0 40 DFAB C[C@H](OC[C@@H](O)CNC(=O)[C@H](C)C(C)(C)C)c1ccccc1 108081365 WBZSNEXFFXMNQD-DZKIICNBSA-N 307.434 2.924 0 40 DFAB COc1ccc(F)cc1S(=O)(=O)Nc1cc(F)ccc1F 20030072 ISWULPGTARSZNZ-UHFFFAOYSA-N 317.288 2.913 0 40 DFAB CCc1sc(C(=O)Nn2cnc3ccccc3c2=O)cc1C 10214139 DFJQUFWAJJPSOK-UHFFFAOYSA-N 313.382 2.713 0 40 DFAB CCN(CC(=O)NC)C(=O)CCc1cccc(Cl)c1Cl 44952377 WUPBYIXWZQWECB-UHFFFAOYSA-N 317.216 2.521 0 40 DFAB CC1CCN([C@H](C)CNC(=O)Cc2noc3ccccc23)CC1 58354694 WDWFGJBEYAZNKU-CQSZACIVSA-N 315.417 2.607 0 40 DFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1 36396999 YCAJWTRPLPDOIO-UHFFFAOYSA-N 321.442 2.950 0 40 DFAB Cc1cc(C)n(-c2ccc(SCC(=O)C(C)(C)C)nn2)n1 11067625 FWXREGYKRFNFER-UHFFFAOYSA-N 304.419 2.986 0 40 DFAB CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1O2)Oc1cccc(F)c1 102686691 CLHXISWRGDYCKP-HNKHHVNMSA-N 307.365 2.667 0 40 DFAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1C 2451681 FAKOVZLYUPUROF-UHFFFAOYSA-N 313.375 2.735 0 40 DFAB CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1CCCCCCC1 89334967 NQKGKJYAKACGEE-UHFFFAOYSA-N 315.479 2.773 0 40 DFAB COC(=O)[C@H](NC(=O)C1CC=CC1)c1ccc(Cl)c(F)c1 89371134 WQNWVTDGHNLEPJ-CYBMUJFWSA-N 311.740 2.776 0 40 DFAB O=C(c1coc(Br)c1)N(CCO)Cc1ccccc1 75553677 ZNPZNUSCTJEROS-UHFFFAOYSA-N 324.174 2.677 0 40 DFAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 107203446 CMQGTUCOSSQKHL-IKGGRYGDSA-N 316.474 2.539 0 40 DFAB CSCc1cccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 48275305 LMPCKPUDUVQXAS-CQSZACIVSA-N 304.459 2.764 0 40 DFAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(NC(N)=O)c1 48310829 KKXAUARMCYNGSN-UHFFFAOYSA-N 302.334 2.849 0 40 DFAB CCn1nc(C(=O)Nc2ccc(OC)cc2)c2ccccc2c1=O 3421088 LGIDTMPVJGLAMP-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB O=C([C@H]1CCCCN1Cc1cccnc1)N1C[C@H]2CCC[C@H]2C1 89794010 YCZBDAQPJIYSBP-FGTMMUONSA-N 313.445 2.695 0 40 DFAB Cn1c([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)nc2ccccc21 95408363 ZAFMOVZAILZYBB-KRWDZBQOSA-N 324.428 2.727 0 40 DFAB O=C(O)c1ccc(CCNC(=O)c2ccc(F)cc2F)cc1 13442696 BCPMSPCSSUVUDB-UHFFFAOYSA-N 305.280 2.636 0 40 DFAB Cc1nn(Cc2ccccc2)c(=O)n1-c1c(F)cccc1F 4089165 PXUUHFKWMNALHT-UHFFFAOYSA-N 301.296 2.669 0 40 DFAB Cc1cc(C)c2[nH]c3nc(SCCC(=O)O)nnc3c2c1 19735269 BGLOROCVNRIKBA-UHFFFAOYSA-N 302.359 2.690 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 65592520 PVGFPYDVNRKFRF-INIZCTEOSA-N 300.402 2.740 0 40 DFAB COCCn1ccc2cc(NC(=O)c3cnc(C)cn3)ccc21 65623039 AZFFNNKPRWWPCZ-UHFFFAOYSA-N 310.357 2.638 0 40 DFAB Cc1ccc(C)c([C@@H](O)Cn2nc(C(F)(F)F)ccc2=O)c1 95437112 BJYPHDRMAZBTPK-LBPRGKRZSA-N 312.291 2.613 0 40 DFAB COc1ccccc1CNC(=O)c1ccc(CN2CCCC2)o1 27984594 WBUQCDSREQSFNA-UHFFFAOYSA-N 314.385 2.814 0 40 DFAB Cc1cc2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 4711070 POTJIRNEEPSNBE-UHFFFAOYSA-N 322.364 2.995 0 40 DFAB Cc1cc([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 93920073 ZIXNCPKCFSSLKH-NHYWBVRUSA-N 318.446 2.555 0 40 DFAB CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 5785168 AWLHWRMIBBOTTD-HNNXBMFYSA-N 315.417 2.700 0 40 DFAB C[C@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 6874821 SBZVZXOAHKXPLY-AWEZNQCLSA-N 308.381 2.843 0 40 DFAB O=C1Nc2ccccc2S(=O)(=O)N1c1cc(F)ccc1F 67172625 BILDVZNRVBDNDV-UHFFFAOYSA-N 310.281 2.706 0 40 DFAB CCOC(=O)CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCO1 67113299 ITLHCLRSAPOUNS-INIZCTEOSA-N 319.401 2.538 0 40 DFAB CCc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1 7040604 JPXBHXDSUOGUFG-UHFFFAOYSA-N 307.357 2.541 0 40 DFAB COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 80471756 USVSUEOJGWGVLV-OLZOCXBDSA-N 323.412 2.631 0 40 DFAB CNC(=O)NC(=O)CCN1Cc2ccccc2-c2ccccc2C1 60361261 KVBOAHRCMAUPHY-UHFFFAOYSA-N 323.396 2.515 0 40 DFAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H]1CCOC1=O 7416686 AWCNVPWJZQNBDQ-LLVKDONJSA-N 321.329 2.730 0 40 DFAB COc1cccc(-n2ccnc2SCCn2ccnc2)c1 95435764 CTUCSWGODFLDGY-UHFFFAOYSA-N 300.387 2.870 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C)n(C)n2)C12CCCC2 71920772 QXCWEMOSYWIPHI-CABCVRRESA-N 305.422 2.538 0 40 DFAB C[C@@](O)(CNc1ncc(Br)cn1)C1CCCC1 71904255 FOKLKYPRSHBRQC-GFCCVEGCSA-N 300.200 2.592 0 40 DFAB Cc1nnc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)s1 20867859 AGCMXQQBMNRAHD-UHFFFAOYSA-N 315.354 2.822 0 40 DFAB CN1CCC(N(C)c2ccccc2CNc2ccn(C)n2)CC1 89756692 CTBUPWGUOFWFHH-UHFFFAOYSA-N 313.449 2.563 0 40 DFAB O=C(/C=C/c1ccc(F)cc1)N1CCCC[C@@H]1C1OCCO1 69656351 SRUWRQURFMITPZ-RZIFZGNASA-N 305.349 2.593 0 40 DFAB COc1ccc(-c2noc(-c3cc4n(n3)CCCC4=O)n2)cc1 98212164 NASWPKOOUHNSGA-UHFFFAOYSA-N 310.313 2.585 0 40 DFAB C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cnc2cnccn12 92063696 XZSXCODJLVEAOU-GUYCJALGSA-N 308.385 2.553 0 40 DFAB Cc1nccn1C[C@H](C)CNC(=O)N1CCC(C(C)C)CC1 73951038 LQKFINJSXUCJKV-CQSZACIVSA-N 306.454 2.905 0 40 DFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccnc1 18106355 YXPHUBJCABMGSW-CYBMUJFWSA-N 303.387 2.536 0 40 DFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C(C)(C)C)C1=O 8944770 ZWLFPPGGCVPWOR-GOSISDBHSA-N 316.401 2.849 0 40 DFAB CCC12CN3CC(CC)(CN(C1)C3c1cccc(C)c1)C2O 19320143 WQTWNXZOUXCFOX-UHFFFAOYSA-N 300.446 2.792 0 40 DFAB biogenic O=C(OCCCn1ccccc1=O)c1cncc2ccccc12 97084200 FJLVSVYCVJFHCC-UHFFFAOYSA-N 308.337 2.644 0 40 DFAB COC(=O)c1coc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1 95940039 SZVNUVOCGKNTBR-JTQLQIEISA-N 307.371 2.831 0 40 DFAB COc1c([C@H]2CCCN2C(=O)c2ccc(Cl)o2)c(C)nn1C 72234342 RNTLNGRGYRWJSF-SNVBAGLBSA-N 323.780 2.961 0 40 DFAB CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccncc1Cl 87554590 FHKHKNYARTXGFZ-CQSZACIVSA-N 308.740 2.680 0 40 DFAB O=C(c1ccc(Cl)cn1)N1CCC[C@@H]1c1noc(C2CC2)n1 84428930 PYSCPYOEBDLSMD-GFCCVEGCSA-N 318.764 2.973 0 40 DFAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc[nH]c1C)c1ccccc1 86232160 WDUMHVPGMNTDMN-XHDPSFHLSA-N 300.358 2.603 0 40 DFAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2CCCC2)c1 20486746 LZVGJWLNPXTLQP-QGZVFWFLSA-N 318.461 2.981 0 40 DFAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncccc1C 27978304 ZJUCHSHZMFXLED-CYBMUJFWSA-N 314.341 2.915 0 40 DFAB CCn1cc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cn1 28241361 JYMWTPCRYMVMHJ-UHFFFAOYSA-N 313.336 2.789 0 40 DFAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 31829753 ZHAABJRKOCQPKV-MFXFBURESA-N 306.446 2.642 0 40 DFAB Cc1nc(N2CCC[C@@H](C(=O)O)C2)c2oc3ccccc3c2n1 32617639 GWNARYFBZRXDNG-LLVKDONJSA-N 311.341 2.985 0 40 DFAB CS(=O)(=O)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 408713162 MIQRBGMECXJASL-UHFFFAOYSA-N 324.427 2.509 0 40 DFAB O=C(C1CC1)N1CCC[C@@H](c2nc(-c3ccsc3)no2)C1 78773682 DGSFDNPEIHEKCI-LLVKDONJSA-N 303.387 2.914 0 40 DFAB CC(C)c1nnc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)s1 33161563 YXEWTXKDYWXNPI-LBPRGKRZSA-N 316.386 2.793 0 40 DFAB COc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(C(=O)O)cc23)c1 217475873 MUWCRAUDYHYSAW-RDTXWAMCSA-N 309.321 2.771 0 40 DFAB COc1ccc([C@@H](CO)N(C)Cc2ccncc2Cl)cc1 75742467 BOUQMHWIPMJGDY-MRXNPFEDSA-N 306.793 2.909 0 40 DFAB COc1cccc(C(=O)Nc2cc(N3CCCCC3)ncn2)c1 77197366 GJHDBIDBPCTLCE-UHFFFAOYSA-N 312.373 2.728 0 40 DFAB CCOC(=O)C1=NN(c2ccc(C)c(Cl)c2)[C@](C)(C(=O)O)C1 71979588 YYZCOOQICDDBSJ-HNNXBMFYSA-N 324.764 2.621 0 40 DFAB O=c1c(I)c[nH]c2c(Cl)cccc12 72207193 PXHUXUNWWAOLCW-UHFFFAOYSA-N 305.502 2.786 0 40 DFAB CC(C)N1CCCC[C@H](C2CCN(c3ncccn3)CC2)C1=O 72352901 VBIFATUGFXNTPR-MRXNPFEDSA-N 316.449 2.730 0 40 DFAB Cc1cc2c(s1)c1cnn(Cc3ccccn3)c(=O)c1n2C 72334542 KDIGEIRUGHUWGP-UHFFFAOYSA-N 310.382 2.701 0 40 DFAB CCN1CCN(C(=O)c2cc(C(=O)OC)co2)c2ccccc21 184835579 GRWDHUYCDDMFAW-UHFFFAOYSA-N 314.341 2.553 0 40 DFAB C[C@@]1(C(=O)Nc2cc(F)ccc2F)Oc2ccccc2NC1=O 41546642 QMEUCWJWSWHVPC-MRXNPFEDSA-N 318.279 2.693 0 40 DFAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCCC1 227152425 VZVFBSPAYAOKTB-GFCCVEGCSA-N 319.792 2.915 0 40 DFAB O=C(CCSc1ccccc1)N1CCC2(CC1)OCCCO2 75156633 YHIGIAPFRDFMHH-UHFFFAOYSA-N 321.442 2.924 0 40 DFAB Cc1csc(C(=O)N2CCC[C@H](Oc3ccc(C)nn3)C2)c1 225462473 BBZNHNGDCKUESE-ZDUSSCGKSA-N 317.414 2.839 0 40 DFAB O=C(Nc1cnn(-c2ccccc2F)c1)[C@H](O)c1ccccc1 88350290 KYRVAQFSJAJKOL-MRXNPFEDSA-N 311.316 2.684 0 40 DFAB O=C(Cc1cncc(O)c1)N[C@@H]1CCCc2c(F)cc(F)cc21 574338914 GLZZAXWZOGZUGI-MRXNPFEDSA-N 318.323 2.802 0 40 DFAB CCc1onc(C)c1C(=O)NC[C@@H]1CCCCN1CC(C)C 195567604 LHHUJKJSILUDLM-AWEZNQCLSA-N 307.438 2.786 0 40 DFAB C[C@]1(C(=O)Nc2nccs2)Sc2ccccc2NC1=O 40804145 YUSVGNHACKGJKL-ZDUSSCGKSA-N 305.384 2.585 0 40 DFAB Cc1ccc(C(=O)NCc2cccc(OCC(F)F)n2)cc1O 195555762 CJQROPSDSWBKFO-UHFFFAOYSA-N 322.311 2.670 0 40 DFAB O=C(C1CCCC1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238408 ROTWDWXPRRWXAA-LJQANCHMSA-N 312.413 2.832 0 40 DFAB CO[C@@H](CNC(=O)Cc1c(C)noc1C)c1ccccc1C 96105027 CHBLEOASMCRABT-INIZCTEOSA-N 302.374 2.646 0 40 DFAB Cc1csc(CN(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)n1 96495077 ILRCHADTHKRRSV-UHFFFAOYSA-N 319.430 2.611 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)Nc2c(C)c(C)nn2C)ccn1 96494711 QXTMDBOVTZRQFK-JTQLQIEISA-N 302.378 2.862 0 40 DFAB Cc1cnn(CCCNc2ncnc3cc(F)c(F)cc23)c1 96429346 FPTQZAAMHAXWQS-UHFFFAOYSA-N 303.316 2.915 0 40 DFAB CCc1cnc(CN(C)C(=O)N[C@H]2COc3ccccc32)s1 96446984 JZVDERJJDMYBLJ-ZDUSSCGKSA-N 317.414 2.981 0 40 DFAB CC(=O)N1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 96268656 BTRQCZZQSZEYFM-UHFFFAOYSA-N 320.820 2.815 0 40 DFAB O=C(CCc1ccc2[nH]ccc2c1)N[C@@H](CO)c1ccccc1 97232896 PJHOSGSOPUFNNI-SFHVURJKSA-N 308.381 2.950 0 40 DFAB CCCCCN1CC(=O)N[C@@H]1c1ncccc1C(F)(F)F 97235772 MYLASCZAQQVSDP-ZDUSSCGKSA-N 301.312 2.721 0 40 DFAB N[C@H](c1ccccc1)c1n[nH]c(-c2ccc(Br)o2)n1 95533477 TUKGIWWOIHQOCU-LLVKDONJSA-N 319.162 2.875 0 40 DFAB CC(=O)Nc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)ccc1F 96411106 AKAIGKKLTGNNGU-UWVGGRQHSA-N 310.394 2.750 0 40 DFAB CCO[C@H]1C[C@H](NC(=O)Nc2nnc(C3CC3)s2)C12CCC2 96433754 OXELUOIWRYUGLN-QWRGUYRKSA-N 322.434 2.885 0 40 DFAB O=C(OCCOc1cccnc1)c1ccc(-c2cnco2)cc1 96442242 MVAPUYWUUQAHQO-UHFFFAOYSA-N 310.309 2.972 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244422527 YUJRFLGEYBJMFP-ZYHUDNBSSA-N 308.809 2.916 0 40 DFAB Cc1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)ncn1 257290113 QBQHTHORYFZKEA-IBGZPJMESA-N 324.428 2.708 0 40 DFAB Cc1ccc2nc(C(=O)N3CCC[C@H](c4nc(C)c[nH]4)C3)cn2c1 257214816 CNNOBDZDPZTERU-AWEZNQCLSA-N 323.400 2.694 0 40 DFAB CO[C@H]1CN(CC2=Cc3ccccc3OC2)CC[C@@]12CCCO2 257288509 PUKRLGCBWUSMAB-OALUTQOASA-N 315.413 2.732 0 40 DFAB Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3NCCCC[C@@H]32)n1 257337572 YTJHDXRQCWJAEV-SQNIBIBYSA-N 324.428 2.518 0 40 DFAB c1ccc(-n2cc(-c3ccc(NC[C@@H]4CCCO4)nc3)cn2)nc1 530249596 BJBFYIIQGLYBGP-INIZCTEOSA-N 321.384 2.920 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cccnc2C)C1 585273699 DFADBFHKZNAHLE-LJQANCHMSA-N 312.413 2.714 0 40 DFAB COC[C@H]1CN(Cc2ccco2)CC12CCN(C1CCC1)CC2 585102680 ASEYJEHJWZKKHG-MRXNPFEDSA-N 318.461 2.993 0 40 DFAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)n1 1775995886 MFBXVQDFLKWBPV-HNNXBMFYSA-N 311.385 2.716 0 40 DFAB Cn1c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc(Cl)c1Cl 53385329 SAGICAABTSZHMZ-GXSJLCMTSA-N 303.189 2.725 0 40 DFAB NC(=O)[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 60793853 OCIPTFYELQAWEE-KRWDZBQOSA-N 322.408 2.615 0 40 DFAB O=C(CSc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 78686378 YBVVLWVNGRDSAB-OAHLLOKOSA-N 305.374 2.768 0 40 DFAB CC(=O)Nc1cccc([C@H](C)OC(=O)c2c(C)nn(C)c2C)c1 95449999 KWVPJCXKDCRIMF-LBPRGKRZSA-N 315.373 2.913 0 40 DFAB COC[C@@H]1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(C)=O)[C@H]21 1534691089 RMAVVECILNDQMD-YLFCFFPRSA-N 322.401 2.799 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CNC(=O)[C@@H]1[C@H](c1ccccc1)C2 5121155 SAJGXCJTYSNGJN-FRQCXROJSA-N 323.392 2.873 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 13011092 HKMGRNBHZHOYIE-OAHLLOKOSA-N 304.415 2.789 0 40 DFAB Cc1cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)c2c(C)nn(C)c2n1 169681003 RAQVIUUFCDNNRB-MCIONIFRSA-N 310.401 2.527 0 40 DFAB COc1cccc(NC(=O)Nc2c(C)nc(OC)nc2C)c1 206720592 UPGLTXBJSNQPIX-UHFFFAOYSA-N 302.334 2.755 0 40 DFAB Cc1nnc(N2CC(NC(=O)Nc3cccc(Cl)c3)C2)s1 1888869930 JWQRFEIUXFXNFC-UHFFFAOYSA-N 323.809 2.510 0 40 DFAB Cc1ccc(-n2ccn(CC3CCC3)c(=O)c2=O)cc1Cl 1888879077 UEQQIEYZIAHIDQ-UHFFFAOYSA-N 304.777 2.761 0 40 DFAB C[C@@]12CC(=O)[C@@](C)(C1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 4126756 MDBKRUGEHSLJED-BQGCOEIASA-N 317.772 2.835 0 40 DFAB O=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccccc1 4484168 KJRMQVGHQIYLET-UHFFFAOYSA-N 304.298 2.765 0 40 DFAB O=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2N1 10063810 APNUMVYYOYLBQS-UHFFFAOYSA-N 322.773 2.635 0 40 DFAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccco3)cc12 13878693 WNBWFTMXHTVNPW-UHFFFAOYSA-N 310.353 2.710 0 40 DFAB O=C1O[C@H]2C[C@H]1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 101453103 IXDDHKVAJVVUED-UONOGXRCSA-N 319.788 2.678 0 40 DFAB Cc1ccccc1NC(=O)NC[C@H]1CCCN1c1ncccn1 585150496 UHGWQDJSQUIGOF-CQSZACIVSA-N 311.389 2.576 0 40 DFAB Cc1cc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)ncn1 2298047621 BSEVMJPINLCDPJ-ZDUSSCGKSA-N 318.371 2.774 0 40 DFAB c1nc(NCC2CCCCC2)c2ncn(C[C@H]3CCCO3)c2n1 2298049945 JJQHWZKWIPGRHE-CQSZACIVSA-N 315.421 2.998 0 40 DFAB Cc1ccc(N2CCN(c3cc(C)nc4ccnn34)CC2)c(C)c1 2298067102 YXFGDPCNFUFHPE-UHFFFAOYSA-N 321.428 2.981 0 40 DFAB O=C(Nc1ccccc1OC(F)(F)F)N[C@H]1CCC[C@H]1CO 96433906 OPKSANNJFNLEIO-UWVGGRQHSA-N 318.295 2.868 0 40 DFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1 26881403 BGBUJPJJRWMHQY-LBPRGKRZSA-N 309.387 2.588 0 40 DFAB NC(=O)[C@H](NCC1(c2ccccc2)CCOCC1)c1ccccc1 30508389 AZCYYGRWLFSSAA-GOSISDBHSA-N 324.424 2.551 0 40 DFAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](C(F)(F)F)C1 40462009 IGNROHNXEOXWTR-SNVBAGLBSA-N 301.264 2.830 0 40 DFAB CCCn1nc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1=O 40534428 SHNSRWZBRGGNNF-CQSZACIVSA-N 317.414 2.692 0 40 DFAB COc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C)cs2)cc1 40509720 BHJIMKGNUQNJDY-LLVKDONJSA-N 318.398 2.680 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c1 202733 RHHRRJQNVUNINO-KBXCAEBGSA-N 317.385 2.824 0 40 DFAB biogenic CO[C@@]12C=C[C@H](CC1)c1c(OC(C)=O)ccc(OC(C)=O)c12 101964339 IDPSCUDVMCQJAF-PXAZEXFGSA-N 302.326 2.826 0 40 DFAB CCc1ccc(OCC(=O)NN2Cc3ccccc3C2=N)cc1 101921294 VXZXDYKAUCNLRX-UHFFFAOYSA-N 309.369 2.500 0 40 DFAB NC(=O)[C@H]1CCN(c2nc(-c3ccsc3)nc3ccccc23)C1 52393086 SIFNQFKWTRYGND-NSHDSACASA-N 324.409 2.670 0 40 DFAB CC(=O)Nc1nc(C(=O)N[C@@H](c2ccccc2)C2CC2)cs1 32928955 ZXRGKUONNQVBJK-AWEZNQCLSA-N 315.398 2.983 0 40 DFAB CN(Cc1cccnc1)C(=O)c1ccc(Br)cn1 61873239 CIBCUUGKVUDMGW-UHFFFAOYSA-N 306.163 2.511 0 40 DFAB CC(C)CCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 6906720 JVJLBBMFVAXHQH-OAHLLOKOSA-N 308.397 2.742 0 40 DFAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCO2 7598001 CNNDYJASAGZETK-UHFFFAOYSA-N 322.324 2.557 0 40 DFAB Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1-n1cnnn1 44246774 UEAIRWFCMNUYJZ-UHFFFAOYSA-N 322.372 2.635 0 40 DFAB O=C(CCCNC(=O)C1CC1)O[C@H]1CCCc2ccccc21 58014244 WVJZAIWAJKOBHW-INIZCTEOSA-N 301.386 2.914 0 40 DFAB CCCc1nc(NC[C@@H]2CCCO2)c2c(n1)c(C)nn2CC 57355847 DEIYROVJIZKNLI-LBPRGKRZSA-N 303.410 2.698 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CC(=O)OC12CCCCC2)c1ccncc1 57355690 GTXJLFKVYWYANR-OCCSQVGLSA-N 302.374 2.525 0 40 DFAB O=C(NCc1ccnc(N2CCCCC2)c1)Nc1nccs1 44967683 FXVSBDBUTFHCQA-UHFFFAOYSA-N 317.418 2.850 0 40 DFAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccco2)nc1C 58356951 DIHCJFHKUIUHSD-RKDXNWHRSA-N 306.343 2.573 0 40 DFAB Cc1nn(C[C@H](C)C(=O)N2CCCC2)c(C)c1Br 28233392 DYNFVUSRBADIRB-VIFPVBQESA-N 314.227 2.521 0 40 DFAB COc1cccc([C@H](CNC(=O)C2CCC2)N2CCCC2)c1 36350581 WCRQRLLLWVYYHC-KRWDZBQOSA-N 302.418 2.748 0 40 DFAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)C1CC1 2514760 HXKOVXZNBVBYCW-UHFFFAOYSA-N 301.386 2.618 0 40 DFAB COc1cccc(C(=O)OCC(=O)NCCC2=CCCCC2)c1 3275543 WXTZKMJSEHDCJT-UHFFFAOYSA-N 317.385 2.859 0 40 DFAB Cc1nc(N2CCO[C@@H](c3cccc(O)c3)C2)c2cc[nH]c2n1 89602217 IAQYHWLOADQUAI-OAHLLOKOSA-N 310.357 2.550 0 40 DFAB C[C@@H]1C[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc21 95963107 QINMVIBSDLRPAD-DOMZBBRYSA-N 321.442 2.566 0 40 DFAB O=S1(=O)CC[C@@H](CN[C@@H](CC2CCC2)c2ccccc2)C1 95987760 KBLHEVBVIISHKP-RDJZCZTQSA-N 307.459 2.942 0 40 DFAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccnc2)c(C)c1 47031501 RHUZIWPNEGYHHY-UHFFFAOYSA-N 304.415 2.828 0 40 DFAB C[C@H](CNC(=O)Nc1ccncc1)N1CCc2sccc2C1 47010032 IYCSEVQVENAMMZ-GFCCVEGCSA-N 316.430 2.711 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCO1 48151279 PJGYFHNJXNUSQG-DOMZBBRYSA-N 300.362 2.561 0 40 DFAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1Cl 23682768 WMQZTACIVRRRDP-UHFFFAOYSA-N 323.801 2.674 0 40 DFAB C[C@H](Oc1ccccc1Br)C(=O)Nc1ncccn1 27974854 BEHPMMZAVYRKTI-VIFPVBQESA-N 322.162 2.645 0 40 DFAB CC(C)(Cc1ccccc1)C(=O)NCc1ccc(C(=O)O)o1 95989530 DDYYYEKQTPNPTB-UHFFFAOYSA-N 301.342 2.863 0 40 DFAB CC(C)CCNC(=O)CSc1nncn1-c1ccccc1 3452695 FCOWAGUUYVJFRM-UHFFFAOYSA-N 304.419 2.522 0 40 DFAB COCCCNC(=O)Nc1ccc(F)cc1Br 48452914 KEHQOXCUGSUHRM-UHFFFAOYSA-N 305.147 2.746 0 40 DFAB COc1cccc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)c1 9210563 AGXCKULRMYLTRB-UHFFFAOYSA-N 322.364 2.809 0 40 DFAB CCOc1c(Cl)cc(CNC(=O)NC(C)C)cc1OC 48843911 WLCDCGPPUPXHKL-UHFFFAOYSA-N 300.786 2.955 0 40 DFAB Cc1csc(N2CCCN(C(=O)c3ccsc3)CC2)n1 48948885 ROQWYWAWPVNQHK-UHFFFAOYSA-N 307.444 2.866 0 40 DFAB COCCOc1ccc([C@H](C)NC(=O)c2ccco2)cc1OC 49160729 GKPMMPZVEJTHCV-LBPRGKRZSA-N 319.357 2.804 0 40 DFAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(Cl)s1 49347404 CSPJPMRVBZBTHR-GHMZBOCLSA-N 317.838 2.992 0 40 DFAB COc1ccc(S(=O)(=O)n2ccc(C)n2)c2ccccc12 5001274 ZGVMVITVDZAGAK-UHFFFAOYSA-N 302.355 2.590 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)c1csc2c1CC[C@@H](C)C2 65408862 HISUIMGDFYZTLG-NEPJUHHUSA-N 303.431 2.888 0 40 DFAB CCOCCCC(=O)N1CCN(c2cccc(OC)c2)[C@@H](C)C1 95431497 MGSARGYXDPQNRI-HNNXBMFYSA-N 320.433 2.549 0 40 DFAB Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 5363211 VBLCZOCTWIZHAL-UHFFFAOYSA-N 304.371 2.814 0 40 DFAB COC(=O)C[C@H](NC(=O)CCc1ccco1)c1cccs1 22502500 UQXNDIAULJNUME-LBPRGKRZSA-N 307.371 2.694 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)Sc1nncn1C(C)C 5417195 KYIKWTBOBYWNMP-LLVKDONJSA-N 320.418 2.987 0 40 DFAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1cccs1 6949069 JDVJCNNIGJAHLM-GQCTYLIASA-N 316.334 2.916 0 40 DFAB O=C([C@H](c1ccccc1)N1CCc2ccccc21)N1CCOCC1 15287870 FMBSKCGIUYOMQJ-IBGZPJMESA-N 322.408 2.649 0 40 DFAB C[C@@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C[C@@H](C)O1 4950111 GGYYSCNUILLUHW-BYAJROORSA-N 319.792 2.637 0 40 DFAB COc1ccc([C@@H]2CCCN2CC(=O)NC(C)(C)C)c(OC)c1 15366890 ZWWBXVRQVNDEPQ-HNNXBMFYSA-N 320.433 2.755 0 40 DFAB C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 71835123 NQWHTLJBTGRRAA-VIFPVBQESA-N 314.332 2.667 0 40 DFAB COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 67801259 LPVBYHCXGAADHA-CQSZACIVSA-N 306.406 2.794 0 40 DFAB Cc1cc2ncn(C[C@H](O)CSc3nccn3C)c2cc1C 71948333 GOZIEMBPGINSLP-ZDUSSCGKSA-N 316.430 2.540 0 40 DFAB C[C@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 71909823 IWFOGVUYSLKBAN-JTQLQIEISA-N 324.306 2.783 0 40 DFAB Cc1cc(C)c(CNC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(C)c1 95431377 AHLUBSFYFSHVDT-HZPDHXFCSA-N 304.434 2.914 0 40 DFAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccn1 7735798 ZBTQEJHHBUXGOD-SNVBAGLBSA-N 318.760 2.997 0 40 DFAB Cc1nnc2n1N=C(c1ccc(OC(F)F)cc1)[C@@H](C)S2 8037871 JIPKHGRUKWPLCO-SSDOTTSWSA-N 310.329 2.935 0 40 DFAB O=C(CSc1ccccc1)Nc1ccc(C(=O)O)c(O)c1 8189790 CDQXMRWASUFFMQ-UHFFFAOYSA-N 303.339 2.821 0 40 DFAB CCC(CC)CN(CC)C(=O)c1ccccc1-n1cnnn1 69352022 GOKZQAFTIRLJBW-UHFFFAOYSA-N 301.394 2.561 0 40 DFAB Cc1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc23)N(C)C)cc1 60156153 HIUXUFLXEASMHB-QGZVFWFLSA-N 322.412 2.904 0 40 DFAB O=S(=O)(CCCF)N1CC=C(c2c[nH]c3ccccc23)CC1 89866586 SEIFRZAUVDYMPN-UHFFFAOYSA-N 322.405 2.946 0 40 DFAB COCc1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1 95467702 VJFBRQWVUPTZGP-UHFFFAOYSA-N 318.808 2.603 0 40 DFAB CCSCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 69570854 DGESVXYLVOWPJD-UHFFFAOYSA-N 317.414 2.827 0 40 DFAB COC(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 74705307 ODVRGKAVPVGGII-UHFFFAOYSA-N 309.325 2.910 0 40 DFAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 18066902 VBICYIPHFGQVHA-UHFFFAOYSA-N 311.309 2.968 0 40 DFAB Cc1cnn(C[C@@H]2CCCCN2Cc2nnsc2Cl)c1 69816061 XFEGNTWDTMJCQJ-NSHDSACASA-N 311.842 2.751 0 40 DFAB COc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)c1 8699183 ZFHOJYCXBWSOAW-MSOLQXFVSA-N 311.381 2.995 0 40 DFAB O=C(O)c1ccn(-c2cccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)c2)n1 97035918 XYHUBWSYRNZDOE-ZIAGYGMSSA-N 311.341 2.555 0 40 DFAB O=S1(=O)c2cccc3cccc(c23)N1CCCn1ccnc1 97049946 XWESPPURJVWITE-UHFFFAOYSA-N 313.382 2.635 0 40 DFAB O=C(OC1CCN(CC(F)F)CC1)c1cc(F)ccc1F 97079898 GCVBZXDSIHACNS-UHFFFAOYSA-N 305.271 2.851 0 40 DFAB CC[C@@H](C(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 72294420 RBQSTUCJNYSTAL-TZMCWYRMSA-N 301.308 2.706 0 40 DFAB CC(=O)N1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3C)cc2)CC1 97113581 MLADIWWMZWTHBL-HNAYVOBHSA-N 315.461 2.951 0 40 DFAB COc1cccc(C(=O)N(C)C)c1OCc1nc(C)c(C)o1 95393536 CAHAXVIONRCVKO-UHFFFAOYSA-N 304.346 2.581 0 40 DFAB NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)c1 95396167 AZIOUVQDXIMWCO-SJORKVTESA-N 324.380 2.515 0 40 DFAB CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(Cl)s1 76089053 ILSPASYARDZQLC-UHFFFAOYSA-N 316.839 2.648 0 40 DFAB Cc1nnc(N2CCN(c3cccc4cnccc34)C[C@H]2C)o1 553565617 KGXIEBQISQVUDD-GFCCVEGCSA-N 309.373 2.641 0 40 DFAB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 1576311 CTXPLTPDOISPTE-AAEUAGOBSA-N 309.362 2.570 0 40 DFAB biogenic C[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2cccnc2)no1 32824562 RWCFTEFOCPAGCR-JSGCOSHPSA-N 314.389 2.759 0 40 DFAB Cc1ccc(C(=O)c2nn3c(nc(=O)c4ccccc43)s2)cc1 3849189 JMHWKCAWGKEGAY-UHFFFAOYSA-N 321.361 2.844 0 40 DFAB biogenic OC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 70453345 GBDCNFJDVVOMOJ-LJQANCHMSA-N 313.397 2.631 0 40 DFAB O=C(O[C@H](c1ccccc1)C1CCCC1)[C@H]1CCS(=O)(=O)C1 78768726 MRKOSQFGIRLPFM-JKSUJKDBSA-N 322.426 2.896 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCCCc1ccccc1 35898175 FGHCKURSFXJJHL-TWMKSMIVSA-N 315.413 2.872 0 40 DFAB CCOc1ccccc1N(C)Cc1ccc(C(=O)N(C)C)[nH]1 188693368 NYHGGLYYUMSADV-UHFFFAOYSA-N 301.390 2.752 0 40 DFAB Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 42646062 ZTUQTHATGWJLDE-GFCCVEGCSA-N 300.333 2.950 0 40 DFAB Cc1nc2cc(C(=O)N3CCOc4ccccc43)ccc2n1C 225892897 QDKOFAMYHLXFAP-UHFFFAOYSA-N 307.353 2.921 0 40 DFAB c1ccc(CCCO[C@@H]2CCN(c3ncnc4[nH]ncc34)C2)cc1 80232861 WRMKXHLHOJFTAN-OAHLLOKOSA-N 323.400 2.581 0 40 DFAB CCc1cc(-n2cnnc2)cc(C)c1I 45889769 WJGZHVQRZVIZDO-UHFFFAOYSA-N 313.142 2.743 0 40 DFAB CCC[C@H](C)NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225724884 JAAPLGFMHBCWKT-NSHDSACASA-N 306.793 2.960 0 40 DFAB CCOc1cccc2[nH]cc(CCNC(=O)c3cccnc3)c12 225612171 MTBKQAIINJBKOV-UHFFFAOYSA-N 309.369 2.934 0 40 DFAB COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(C)c2nccs2)c1 190960419 DMXPPXSIECXYSD-DGCLKSJQSA-N 318.398 2.927 0 40 DFAB Cc1ccc(-n2nc(C(=O)NCC(=O)c3ccco3)cc2C)cc1 97372591 KPKBHOHZGJROKL-UHFFFAOYSA-N 323.352 2.695 0 40 DFAB CCC(=O)N1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1 96260711 JUELIDZCEAKQSK-UHFFFAOYSA-N 315.421 2.666 0 40 DFAB COc1cccc2c1CC[C@@H]2NC(=O)NCc1cnc(C)s1 96469892 DGHDCEBPZIGITN-AWEZNQCLSA-N 317.414 2.947 0 40 DFAB O=C(NCc1ccc(C(=O)O)c(C2CC2)n1)c1ccc(Cl)o1 579842725 PMTXKWBKRGGAGZ-UHFFFAOYSA-N 320.732 2.834 0 40 DFAB COc1cc(C(=O)N(C)C)ccc1NC(=O)CC1CCCC1 96454699 ITQFEKIELKYWKM-UHFFFAOYSA-N 304.390 2.916 0 40 DFAB CC(C)C(=O)N1CCC[C@]12CCCN(Cc1cccnc1)C2 96214517 ZPLJPRVIQXAQKV-SFHVURJKSA-N 301.434 2.695 0 40 DFAB COCCCn1ccc(NC(=O)N2CCC(C(C)C)CC2)n1 96435069 HMCVQMFROZDHSL-UHFFFAOYSA-N 308.426 2.820 0 40 DFAB O=C(C1CCCCC1)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 245339227 RILIFJHGWNYWEE-FVQHAEBGSA-N 318.461 2.674 0 40 DFAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1cnccn1 257255873 KJFZOVDKQMCXGG-KRWDZBQOSA-N 321.384 2.580 0 40 DFAB Cc1ncoc1C(=O)N1Cc2ncc(C)n2C[C@H]1c1ccccc1 257222902 DVCIJXVOWZJKMG-HNNXBMFYSA-N 322.368 2.885 0 40 DFAB COCCN1CCC[C@H]1c1nccnc1Nc1ncc(C)s1 299851544 RECPXNJDSYTREP-LBPRGKRZSA-N 319.434 2.768 0 40 DFAB COc1ccccc1CC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C 257242667 IDOVKSPYMIKUCO-HKUYNNGSSA-N 316.445 2.713 0 40 DFAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCNCC2)c1 257237693 HHQIPPYICUWBOH-KRWDZBQOSA-N 302.418 2.690 0 40 DFAB COCCCNC(=O)c1ccc(-c2ccc(F)cc2)nc1C 257173599 RXWHNZLYHRXDDR-UHFFFAOYSA-N 302.349 2.962 0 40 DFAB CN1C[C@@H](COCC2CC2)C2(CCN(C(=O)C(C)(C)C)CC2)C1 585104103 VXXYQDPIRLUUFH-INIZCTEOSA-N 322.493 2.630 0 40 DFAB O=C1C[C@@H](Nc2ccccc2OCC(F)(F)F)CCCN1 585141051 OJUMEMVTJSWFSQ-JTQLQIEISA-N 302.296 2.708 0 40 DFAB Nc1nccnc1C[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 585182586 NYEYRYFQEGRRAD-AWEZNQCLSA-N 321.428 2.995 0 40 DFAB C[C@H](CNC(=O)NCc1ccoc1)N1CCc2sccc2C1 47009992 BKXXOQNYPNKTCK-GFCCVEGCSA-N 319.430 2.587 0 40 DFAB Cc1noc(C2CN(Cc3ccc(Br)s3)C2)n1 49482545 SSKZJSLQUUHSSQ-UHFFFAOYSA-N 314.208 2.801 0 40 DFAB Cn1ncc2c(N3CCC[C@H]3CCc3ccccc3)ncnc21 52454231 KLNVWRWBNJTZFA-HNNXBMFYSA-N 307.401 2.965 0 40 DFAB CC(C)OCCCNC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C 75107609 AXJUHJQZDWJYFU-FUHWJXTLSA-N 318.461 2.796 0 40 DFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCCCC1 61384958 WNXUGEKTCLHIFA-UHFFFAOYSA-N 316.323 2.660 0 40 DFAB CN1CCC(NC(=S)N2CCC[C@H]2c2cccs2)CC1 83877618 KSZLOXMLACPEQS-ZDUSSCGKSA-N 309.504 2.854 0 40 DFAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221452 JBMUZLUIHMITCY-INIZCTEOSA-N 323.400 2.972 0 40 DFAB CC[C@@H](N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F 161513724 IULXTXJDWHIYCP-JOYOIKCWSA-N 305.802 2.707 0 40 DFAB CC[C@H](C)[C@@H](NC(=O)COC)c1nc2cccnc2n1C(C)C 12221192 NLRBKCTYZRZOLI-SWLSCSKDSA-N 318.421 2.862 0 40 DFAB CC(C)(C)OC(=O)N1CCC2(CC[C@H](CC(=O)O)CO2)CC1 585164738 NETRLWKXKHITAM-GFCCVEGCSA-N 313.394 2.657 0 40 DFAB COCO[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1CCC(C)C 1848350455 SVHBRYSLIFKQHK-JKSUJKDBSA-N 307.390 2.836 0 40 DFAB CSc1nccc(N(C)Cc2ccc3c(c2)OCCO3)n1 1889125255 XEDXKFGTTRESFI-UHFFFAOYSA-N 303.387 2.606 0 40 DFAB Fc1ccc2ncnc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)c2c1 1889128213 BLUCQRBYCGZSSH-BETUJISGSA-N 312.392 2.689 0 40 DFAB CCc1ccc(NC(=O)C[C@H]2CN(c3ccccc3)NC2=O)cc1 2033970133 ATVWPFRTFGXVTH-HNNXBMFYSA-N 323.396 2.745 0 40 DFAB CCOC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C 4138473 MENLAZRMIMTFPF-UHFFFAOYSA-N 316.386 2.619 0 40 DFAB Cc1ccc(-n2nnnc2CNC(=O)CC2CCCCC2)cc1 9570564 KVUJLYYSOUYWNI-UHFFFAOYSA-N 313.405 2.557 0 40 DFAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@@H]3C2=O)cc1F 101260373 UPYZECDLKVFZSH-GJZGRUSLSA-N 324.315 2.632 0 40 DFAB COc1nn(C)cc1C(=O)Nc1nc2c(F)cc(F)cc2s1 36695622 CVSFAPVVFWUIME-UHFFFAOYSA-N 324.312 2.569 0 40 DFAB Cc1ccc(C)c(-n2ccn3c(C(F)(F)F)nnc3c2=O)c1 2298067707 QXKYXCFYPGIVJM-UHFFFAOYSA-N 308.263 2.516 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 40107336 VBYVYTFWBSAWEY-GOEBONIOSA-N 321.465 2.609 0 40 DFAB COc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cn1 40120768 UGTPJLHZAIWXJT-CYBMUJFWSA-N 320.418 2.576 0 40 DFAB COc1cccc(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 40108330 ISCTZBMOIZNFQB-YOEHRIQHSA-N 305.418 2.949 0 40 DFAB Nc1nc(=O)n(Cc2ccccc2)c2sc3c(c12)CCCC3 40285685 WJMAOHPUDBORDR-UHFFFAOYSA-N 311.410 2.967 0 40 DFAB O=C(c1cccs1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100621818 NPRKTSNZKWFVPZ-KKUMJFAQSA-N 302.443 2.718 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)Cc1c[nH]c2ccccc12 31594863 MVHJNDYJFYMCIF-MRXNPFEDSA-N 308.385 2.638 0 40 DFAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12 356531 MTOLMGWWKLVWAL-UHFFFAOYSA-N 310.309 2.757 0 40 DFAB Cc1cc(C)nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1 52470322 PKUQTNHCDMAYSP-UHFFFAOYSA-N 316.449 2.568 0 40 DFAB Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CCCC4)cc1 423065 ZIHVRFNJOYPVRG-UHFFFAOYSA-N 312.394 2.928 0 40 DFAB CCc1noc(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 52921075 LTZWVAPIHKKFAK-HNNXBMFYSA-N 313.401 2.550 0 40 DFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)O[C@H]21 519217 RROCIQVJGOEFSU-MRXNPFEDSA-N 311.293 2.533 0 40 DFAB biogenic CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccccc3)nc2C1 539664 ZLBFNCYADVKRPP-UHFFFAOYSA-N 309.369 2.813 0 40 DFAB COc1ccc(C)nc1NC(=O)NCCc1nc(C)c(C)s1 97378613 CYFVYFFWVBLHJK-UHFFFAOYSA-N 320.418 2.836 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)C=C(C3CC3)C3CC3)C2)n1 56131573 HSVTXCHXJWNAJV-CQSZACIVSA-N 301.390 2.830 0 40 DFAB Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)s2)cc1 25517776 HCTNLXUMYTXICK-UHFFFAOYSA-N 316.426 2.753 0 40 DFAB CO[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 6403264 ASGRTYKWASRDOG-WFXMFSGNSA-N 324.332 2.708 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 7811742 YOJSWQQBIGDVGX-KBPBESRZSA-N 318.417 2.780 0 40 DFAB Cc1n[nH]c2ncc(C(=O)N(C)CCCOc3ccccc3)cc12 58121728 IQPHBCMCFBBTJC-UHFFFAOYSA-N 324.384 2.807 0 40 DFAB COc1ccc(COCC(=O)Nc2nc(C)c(C)s2)cc1 44880058 IYMGNWAZLUQEQI-UHFFFAOYSA-N 306.387 2.924 0 40 DFAB CC(=O)c1c[nH]c(C(=O)NCCc2c[nH]c3cc(C)ccc23)c1 58227113 KMFIJYPVUZXNNK-UHFFFAOYSA-N 309.369 2.980 0 40 DFAB COc1ccc(S(=O)(=O)N(C)c2c(F)cccc2F)cc1 58249654 WWMJANCQWQZLAQ-UHFFFAOYSA-N 313.325 2.799 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)o1 44949506 YVEAWJNTDURKPA-GFCCVEGCSA-N 313.419 2.513 0 40 DFAB CCn1cc(NC(=O)N[C@H](C)c2cc(F)ccc2OC)cn1 44971070 NFWWBNZSLVUKLW-SNVBAGLBSA-N 306.341 2.933 0 40 DFAB COC(=O)[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 58323924 CXCCNIFSNLUQQE-GFCCVEGCSA-N 315.291 2.873 0 40 DFAB O=C(/C=C/c1ccccc1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404372 FXDMXAOZVANHKY-VEUZHWNKSA-N 320.392 2.507 0 40 DFAB CCCCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29315693 JSJLPEGNQRNXFJ-UHFFFAOYSA-N 304.799 2.840 0 40 DFAB CCCCOc1ccc(CN[C@]2(C)CCS(=O)(=O)C2)cc1 36944029 OPCVCXBWEMAXIK-MRXNPFEDSA-N 311.447 2.532 0 40 DFAB O=C(O)c1ccccc1NCCNc1ccccc1C(=O)O 2527901 BMRDIJXIHSOUFN-UHFFFAOYSA-N 300.314 2.607 0 40 DFAB Cn1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cn1 46916111 XWRSPNLSCOXLJL-UHFFFAOYSA-N 308.341 2.537 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2cc(C)[nH]n2)s1 95410161 ZGASYFYXAQAZKD-NSHDSACASA-N 306.435 2.808 0 40 DFAB Cc1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1 3404509 GXQYYMVUMGEDLC-UHFFFAOYSA-N 323.805 2.864 0 40 DFAB Cc1cccc(OC[C@H](C)NC(=O)NCCc2cscn2)c1 95425801 FCLTYQVXCXAEGU-ZDUSSCGKSA-N 319.430 2.761 0 40 DFAB Cc1ccc(C)c(C(=O)CCC(=O)NCCC(=O)OC(C)C)c1 49590041 UGTNNJRJLODMOU-UHFFFAOYSA-N 319.401 2.724 0 40 DFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2)cc1 5076827 FDVGEINQVHRGAJ-LLVKDONJSA-N 300.310 2.829 0 40 DFAB CC(C)n1cc([C@@H](C)NC[C@@H]2COc3ccccc3O2)cn1 95419271 WWQUFYPBOPYWRU-UKRRQHHQSA-N 301.390 2.955 0 40 DFAB COCCOCCC(=O)N[C@@H](C)Cc1ccc2ccccc2c1 65521088 JPYWRHPCYUHVLH-HNNXBMFYSA-N 315.413 2.940 0 40 DFAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(Cl)ccn1 65542560 MTDNYJJDVNYOBH-CYBMUJFWSA-N 315.804 2.991 0 40 DFAB CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Nc1nncs1 65552629 FFMDNTLEINBJJN-LBPRGKRZSA-N 318.402 2.922 0 40 DFAB CC[C@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 65563333 QYCDXMWYTPRMGO-DTWKUNHWSA-N 310.448 2.771 0 40 DFAB CC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 9455962 JWRHGDLCIQAWKS-KRWDZBQOSA-N 308.381 2.843 0 40 DFAB CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC)cc1 6662243 BKDIPKXTNSZTNG-UHFFFAOYSA-N 311.337 2.823 0 40 DFAB C[C@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc(Cl)cn1 5786654 KVAQCOKJLPTBJN-VIFPVBQESA-N 324.789 2.909 0 40 DFAB CC(C)c1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc1 6985902 HLVBIZTZWXQVKB-DHZHZOJOSA-N 302.418 2.854 0 40 DFAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1cc[nH]n1 96423839 YRXANCZKSKOTRU-UHFFFAOYSA-N 324.384 2.565 0 40 DFAB CCc1cc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)n(C)n1 96484498 XBNKUOBSGCYBLS-BXUZGUMPSA-N 314.389 2.669 0 40 DFAB COC(=O)c1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 15369745 RMPHCPPTAWWESC-UHFFFAOYSA-N 313.353 2.834 0 40 DFAB CN1CC[C@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 90002216 SVSLINGADLMBPZ-HOTGVXAUSA-N 315.804 2.910 0 40 DFAB O=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c[nH]1 71858375 FLLLTJJHQDRPMZ-UHFFFAOYSA-N 316.338 2.667 0 40 DFAB Cc1cc(OCC(=O)Nc2ccccc2OC(F)F)nnc1C 71883983 WRCPSPCZFIEAKE-UHFFFAOYSA-N 323.299 2.712 0 40 DFAB C[C@@H]1CCC[C@@H](N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1 69138118 WOFOXUPINVDISN-CHWSQXEVSA-N 314.451 2.540 0 40 DFAB Cn1c(Sc2nnnn2-c2ccccc2)nc2ccccc21 8318008 AILRDNQEPFMNQC-UHFFFAOYSA-N 308.370 2.700 0 40 DFAB CC1CCC(O)(CN2CCC[C@H](c3nncn3C3CC3)C2)CC1 91631571 AXNKKBNXXJILTM-CSLYMUCUSA-N 318.465 2.734 0 40 DFAB C[C@H]1C[C@H]1C(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 69663193 ILPJIABWANNCKH-XJKSGUPXSA-N 324.428 2.713 0 40 DFAB COc1ccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cn1 8515452 LPURWIHZEYMYOV-LLVKDONJSA-N 324.336 3.000 0 40 DFAB C[C@@H](NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccccc1 69704820 RVTHBWUQULFAMG-LLVKDONJSA-N 301.321 2.974 0 40 DFAB CNc1snc(C)c1C(=O)O[C@@H](C)c1nc(C2CC2)no1 84026853 OGDVWXPERCLFEM-ZETCQYMHSA-N 308.363 2.672 0 40 DFAB CC(C)(C)c1n[nH]cc1CN1CCC(OC[C@H]2CCCO2)CC1 92662227 AQIMGGWALMZDIJ-MRXNPFEDSA-N 321.465 2.867 0 40 DFAB O[C@@H](COc1c(Cl)cccc1Cl)COC1CCOCC1 95974870 PTQGGNHBIGRHPE-SNVBAGLBSA-N 321.200 2.929 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)n1 71026678 XJTYIMROKAATQR-AWEZNQCLSA-N 301.390 2.510 0 40 DFAB CC[C@@]1(C)CN(C(=O)N[C@@H](COC)c2ccccc2)CCO1 188248503 LESJFMWTMANKHN-RDJZCZTQSA-N 306.406 2.585 0 40 DFAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1C[C@@H]1c1ccco1 96999594 ISULCYLBCKXHNC-HOTGVXAUSA-N 324.380 2.826 0 40 DFAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 97000531 NGFDKWWTNSFDKY-HNNXBMFYSA-N 303.402 2.949 0 40 DFAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)on1 72295615 DKSKXXXCUJKSRB-NEPJUHHUSA-N 302.378 2.931 0 40 DFAB Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72292316 OSNUBWCOWRBCFB-RISCZKNCSA-N 316.405 2.599 0 40 DFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 72234026 PZRLOCLTMHTXBH-CYBMUJFWSA-N 306.797 2.996 0 40 DFAB Cc1cc([C@H](C)NCC(=O)NCc2ccccn2)c(C)s1 97109694 VLOFQMSAQLSAHU-LBPRGKRZSA-N 303.431 2.727 0 40 DFAB Cc1cc(C)nc(NC(=O)NC[C@H](c2ccco2)N(C)C)c1 97142933 WUKWSUNYHDOSMD-CYBMUJFWSA-N 302.378 2.716 0 40 DFAB Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c(=O)[nH]1 75119528 FBLYMQQAORAICK-UHFFFAOYSA-N 300.333 2.627 0 40 DFAB O=c1ccn(Cc2nccn2CC(F)(F)F)c2ccccc12 89866512 WUSJLRIGTVKWOO-UHFFFAOYSA-N 307.275 2.809 0 40 DFAB C[C@@H](C1CC1)N(C(=O)Cn1cnc(-c2ccccc2)n1)C1CC1 89894180 MOKWTWIVNDFKSB-ZDUSSCGKSA-N 310.401 2.735 0 40 DFAB COc1cccc(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 75520499 MHCDVSDZVAGAAK-QGZVFWFLSA-N 324.380 2.539 0 40 DFAB CCc1nc([C@H]2CCCN2CCc2ccc3c(c2)CCO3)no1 76047201 CRKYDUCECAWBAZ-OAHLLOKOSA-N 313.401 2.947 0 40 DFAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CSc3ccccc32)no1 76043664 WHNZHGYNBGLCLG-OLZOCXBDSA-N 315.398 2.931 0 40 DFAB COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1F 113948511 JJZBTVILAJNACU-UHFFFAOYSA-N 303.399 2.793 0 40 DFAB Cc1ccc(-n2nc(C(N)=O)nc2-c2ccc(F)cc2)cc1C 408695910 UWOMSDRSYAJQMH-UHFFFAOYSA-N 310.332 2.789 0 40 DFAB O=C(NCCOC(=O)NC1CCCCC1)NC1CCCCC1 35585804 YGJSYVYHFWKHOG-UHFFFAOYSA-N 311.426 2.677 0 40 DFAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1ccc(O)c(Cl)c1 62001333 PXOBMSVOYCQXIQ-RDJZCZTQSA-N 314.772 2.970 0 40 DFAB biogenic O=C(CC1=CCCCC1)NCCNC(=O)c1ccc(F)cc1F 78606691 LMIFBOKXADEEAO-UHFFFAOYSA-N 322.355 2.701 0 40 DFAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccnc1 216452245 UCYLWUGDBMWZGU-OAHLLOKOSA-N 321.808 2.900 0 40 DFAB Cc1nc2c(Nc3cccc4cccnc34)nc(N)nc2n1C 72240970 WQLXQSJMKHKXRD-UHFFFAOYSA-N 305.345 2.546 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(F)c1 77680989 RLCWLYHVUKYXBB-VIFPVBQESA-N 306.790 2.715 0 40 DFAB CNC(=O)c1c(C)cccc1NC(=O)CO[C@H]1CCCC[C@H]1C 79040260 VECUKXUGGJIYHB-DOMZBBRYSA-N 318.417 2.888 0 40 DFAB O=C(Nc1cnc2c(c1)CCCC2)c1cc(O)nc(C2CC2)n1 568208428 ZDTOENXZKDXBGY-UHFFFAOYSA-N 310.357 2.586 0 40 DFAB CCS[C@H]1CCCCN(C(=O)c2ccnc(N(C)C)c2)C1 78987194 LBUHJDKSBYTRMC-AWEZNQCLSA-N 307.463 2.895 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)CC2CCCCC2)CC1 44448639 XALBMJFEUPTLNB-UHFFFAOYSA-N 319.449 2.906 0 40 DFAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(F)cc1 42646212 JKBQXTVIXGFPEU-UHFFFAOYSA-N 304.296 2.528 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N[C@H]1CCc2ccc(F)cc21 195530799 PSSLEQYURXJJIU-HNKHHVNMSA-N 318.392 2.926 0 40 DFAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(CC3CCCC3)C[C@H]21 514288681 RKJVNOFIIFYXLF-WBVHZDCISA-N 318.392 2.533 0 40 DFAB biogenic,in-vitro Cc1cc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)no1 195544359 SJTMIFJLWCUPEA-UHFFFAOYSA-N 314.263 2.741 0 40 DFAB CS(=O)(=O)Cc1noc(CSc2cccc(Cl)c2)n1 96430166 FCIQHXARRVMFTF-UHFFFAOYSA-N 318.807 2.560 0 40 DFAB O=C(NCCc1cscn1)Nc1ccc2c(c1)CCCO2 96484122 LYQNBUJYNODTKH-UHFFFAOYSA-N 303.387 2.832 0 40 DFAB O=C(c1ccc[nH]1)N1CC[C@]2(CCCN(c3ccccn3)C2)C1 96216735 LJNQOHZUZYXRLQ-SFHVURJKSA-N 310.401 2.542 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C1 96481298 CQNZUNNJRFIZRY-XHSDSOJGSA-N 306.475 2.689 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)/C=C/c1cccs1)C2 96039212 SFBFXFDNYUCRPN-KAWBWNIXSA-N 321.442 2.805 0 40 DFAB OC[C@@H](CNc1ccc(Br)cn1)Cc1ccccn1 96455818 BAYKMORDKHCVEB-LLVKDONJSA-N 322.206 2.502 0 40 DFAB COC(=O)NCCC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 96409994 VMDUDUAFACTVKK-QMMMGPOBSA-N 319.188 2.917 0 40 DFAB CC(=O)c1cc(Br)c(F)cc1OCC(C)(C)O 95974943 TUJMFIIVVHGTQY-UHFFFAOYSA-N 305.143 2.941 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@H]2SC)c1C 96439901 LJEBUNREZLCOHY-ZIAGYGMSSA-N 310.467 2.603 0 40 DFAB NCCCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 96481263 JTCROPRLLGFQRJ-UHFFFAOYSA-N 312.369 2.687 0 40 DFAB O=C(CC1=CCCCC1)N1CCN(c2cc(Cl)ncn2)CC1 96449817 LHZLULFVGCFFLU-UHFFFAOYSA-N 320.824 2.669 0 40 DFAB Cc1ccc(OCC(N)=O)c(-c2cnn(CCC(C)C)c2)c1 96141422 GVHIIMQCNASJJR-UHFFFAOYSA-N 301.390 2.769 0 40 DFAB CC[C@@H](C)N1CC[C@@]2(CCCN(c3cc(OC)ncn3)C2)C1 248209070 CHPGPRXBAVEJPL-PBHICJAKSA-N 304.438 2.576 0 40 DFAB COc1ccccc1[C@@H]1Cn2ccnc2CN1Cc1cc(C)on1 257298167 RKLQBQTUUWKOLU-INIZCTEOSA-N 324.384 2.945 0 40 DFAB CC(=O)N1CCN(Cc2cscn2)[C@@H](c2ccccc2)C1 257280176 OJVCPAYWYNQNIJ-MRXNPFEDSA-N 301.415 2.549 0 40 DFAB COc1cc(NC(=O)CCc2c(C)noc2C)ccc1C(=O)O 261979355 ZYHLPKDHBIHEAM-UHFFFAOYSA-N 318.329 2.570 0 40 DFAB c1cncc(CO[C@@H]2CSC3(C2)CN(Cc2ccco2)C3)c1 585104303 GZIGUKKGUFJRCQ-INIZCTEOSA-N 316.426 2.951 0 40 DFAB COc1ccc(Cl)cc1NC(=O)N1CCC([C@H](C)O)CC1 69622248 HDQZEFYIXLRLKB-JTQLQIEISA-N 312.797 2.973 0 40 DFAB C[C@@H]1CN(c2ccccc2NC(=O)NCC2CC2)C[C@@H](C)O1 47809243 RJWNACAMMQPRIL-CHWSQXEVSA-N 303.406 2.832 0 40 DFAB Cn1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1=O 55487271 MXZKCSNMFVRXQL-QGZVFWFLSA-N 310.397 2.623 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCCCc2ccccc2)c(C)c1 5184355 NXWIECPISSNRJN-UHFFFAOYSA-N 310.397 2.991 0 40 DFAB O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@@H]2C1)Cc1ccccc1 11616581 WPGGHFDDFPHPOB-ZACQAIPSSA-N 315.413 2.969 0 40 DFAB world COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc1cccc(C)c1 12650168 NZEJTRBFELLKIU-CQSZACIVSA-N 307.390 2.851 0 40 DFAB Cc1ccc(CCCNC(=O)[C@H]2COc3ccccc3O2)cc1 13673021 FIMYOKUCJGXTAA-GOSISDBHSA-N 311.381 2.884 0 40 DFAB COc1ccc(Cl)cc1C(=O)N1N=C(C)C[C@@]1(O)C(F)F 17054793 OJVXZRCBHNNAMH-CYBMUJFWSA-N 318.707 2.524 0 40 DFAB Cc1ccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 7636304 LSCHRSHSBXTLPT-MRXNPFEDSA-N 321.461 2.749 0 40 DFAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(F)c(F)c1 5316153 FAQIUBGAKUQYKC-UHFFFAOYSA-N 300.264 2.558 0 40 DFAB CCc1ccc(CN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)cc1 1848357054 VVNJLVSQTLPXMD-IBGZPJMESA-N 323.440 2.873 0 40 DFAB CC(C)(C)NC(=O)[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 1889070760 CHUDADAFYNNIEF-JTQLQIEISA-N 315.339 2.841 0 40 DFAB CCN1CCC(NC(=O)c2cc(Br)cs2)CC1 13326396 VLKBMLNELNJGOM-UHFFFAOYSA-N 317.252 2.725 0 40 DFAB CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832082 MGMHBVNXNFNUHH-LLVKDONJSA-N 301.217 2.951 0 40 DFAB O=C(c1ccco1)N1CCN(c2nc3ccccc3s2)CC1 4088271 MOXGATZMHIHUCZ-UHFFFAOYSA-N 313.382 2.852 0 40 DFAB COc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1OC 40088643 VFTDREIRKKHJSQ-UHFFFAOYSA-N 324.384 2.779 0 40 DFAB CCOc1ncccc1CNC(=O)c1cc(Br)c[nH]1 31324541 NUNAUMFKNJOWIG-UHFFFAOYSA-N 324.178 2.501 0 40 DFAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 50736069 DUPPWJFQKMUOBS-ZFWWWQNUSA-N 320.408 2.983 0 40 DFAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccn1 40490100 XLLCGLPVDQRSMK-GWCFXTLKSA-N 313.332 2.524 0 40 DFAB O=C(NCc1cccs1)NC[C@H](c1ccco1)N1CCCC1 40474202 ROUXSITZWCBLHC-CQSZACIVSA-N 319.430 2.977 0 40 DFAB Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 40497651 AQXWLWVMEQGIGD-FZMZJTMJSA-N 318.417 2.776 0 40 DFAB O=C(Nc1cccnc1)N1CCCN(Cc2cccs2)CC1 40520731 WRGMZZJJFLDZPP-UHFFFAOYSA-N 316.430 2.883 0 40 DFAB CCc1cccc(CC)c1NC(=O)N1CCN(C(C)=O)CC1 40526343 VPPNLUDTXRNFEG-UHFFFAOYSA-N 303.406 2.507 0 40 DFAB O=C(Cc1cccs1)NC[C@H]1CCN(c2ccccc2)C1 40519860 CPQVVSBWMAXRAL-CQSZACIVSA-N 300.427 2.933 0 40 DFAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H](C)O[C@@H](C)C1 20572905 OFQHJXSFOIKZMA-DEYYWGMASA-N 317.429 2.969 0 40 DFAB CC(C)/N=c1\ccccn1C(=O)CCc1nc(C(C)C)no1 33164342 RFSBBPUVXDXAJB-GHRIWEEISA-N 302.378 2.577 0 40 DFAB Fc1ccc(-c2n[nH]cc2CNC[C@H]2CCN(C3CC3)C2)cc1 42229201 BONKLBYUGNBZOC-CYBMUJFWSA-N 314.408 2.790 0 40 DFAB COc1ccccc1NCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 110617 TZIABEVQBVEVRW-VXGBXAGGSA-N 320.776 2.582 0 40 DFAB NC(=O)c1ccccc1NC(=O)Cc1cccc2cccnc12 54811691 NHUFXEJHJAGWTR-UHFFFAOYSA-N 305.337 2.515 0 40 DFAB O=C(Oc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1 411626 RHNYWTFOFOGORD-UHFFFAOYSA-N 300.705 2.535 0 40 DFAB Cc1ccc(NC(=O)c2ccccc2Cl)cc1-n1cnnn1 411376 XMHORJORIXWFAF-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB Cc1cccc(N2CCN(C(=S)NCC(C)C)CC2)c1C 414877 GXAPUKHBFZEGPF-UHFFFAOYSA-N 305.491 2.956 0 40 DFAB Cc1nc([C@H]2CN(C(=O)Nc3ccc(Cl)cc3)CCO2)no1 95998898 RAZVJCJPDYMEHL-GFCCVEGCSA-N 322.752 2.637 0 40 DFAB Cc1cc(CNc2cccc3c2OCCO3)ccc1-n1cncn1 78975386 VQBMKZXYZWXFBS-UHFFFAOYSA-N 322.368 2.959 0 40 DFAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1 78951200 NUBIARSRPRZOGT-VHSXEESVSA-N 308.332 2.820 0 40 DFAB CCSCc1cccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1 78993481 KDRXPUTUEJSGFO-SWLSCSKDSA-N 306.431 2.998 0 40 DFAB Nc1cc2ccccc2cc1NS(=O)(=O)N1CCCCC1 1572975 CLYKXDMIEMFVEP-UHFFFAOYSA-N 305.403 2.565 0 40 DFAB CCCCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 1632778 OFWASDFJBMOHBA-UHFFFAOYSA-N 311.432 2.990 0 40 DFAB CCOC(=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 2043027 FWGHEOIWJSULEX-OAHLLOKOSA-N 309.321 2.587 0 40 DFAB CCCc1nc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)sc1CC 56003911 QFGUOBKTCUKPGB-WDEREUQCSA-N 323.462 2.759 0 40 DFAB C[C@H]1C[C@H](NC(=O)c2cccc3c2OCC(=O)N3)c2ccccc21 95350987 KNSWAVYZKUBBJN-ZBEGNZNMSA-N 322.364 2.996 0 40 DFAB COc1ccccc1[C@H](C)N(C)CC(=O)Nc1cc(C)no1 26334631 PGLNNVYNSIPHAK-LBPRGKRZSA-N 303.362 2.623 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C 44180085 WXKSLQKNGKQEJV-TZMCWYRMSA-N 303.406 2.675 0 40 DFAB COc1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1 51318968 BDKXSPUKONPXAQ-UHFFFAOYSA-N 322.364 2.779 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)N3CCCCCC3)c(C)n2n1 10030690 IJTZHIHQCCOLAD-UHFFFAOYSA-N 314.433 2.990 0 40 DFAB O=C(NC[C@H](O)c1cccc(F)c1)Nc1ccc(F)cc1F 58200815 PTBOVLSHRPSQFA-AWEZNQCLSA-N 310.275 2.959 0 40 DFAB CC(C)C[C@H](C)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 44908556 JFUBUHMJTWWERN-LBPRGKRZSA-N 323.462 2.705 0 40 DFAB CCN(CC)[C@H](CNC(=O)c1cc(C)on1)c1ccsc1 44941441 GMLSHECQPWZMRK-CQSZACIVSA-N 307.419 2.857 0 40 DFAB CCN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 47935002 NTKAJAQZWSOVMN-UHFFFAOYSA-N 316.357 2.859 0 40 DFAB C[C@@H](NC(=O)c1ccc(=O)oc1)[C@H]1[C@H]2C[C@H]3C[C@@H]2CC[C@@H]1C3 101159172 JKUIUOHKHIBIIS-VMKJCDQMSA-N 301.386 2.830 0 40 DFAB COc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 21883220 VNGAJYDEDZCWKM-UHFFFAOYSA-N 315.354 2.717 0 40 DFAB CC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 95998571 NKRGRSSWRMWVHE-INIZCTEOSA-N 317.364 2.548 0 40 DFAB COc1ccc(OC)c(CN(C(=O)c2cc(C)on2)C2CC2)c1 45522851 OPAPBVAIBLUDNX-UHFFFAOYSA-N 316.357 2.805 0 40 DFAB O=S1(=O)CC[C@@H](CN[C@H](CC2CCC2)c2ccccc2)C1 95987759 KBLHEVBVIISHKP-DOTOQJQBSA-N 307.459 2.942 0 40 DFAB C[C@@H](C(=O)Nc1ccc(F)cc1)n1cc(Br)cn1 28223964 AJVKGJQOPHORNW-QMMMGPOBSA-N 312.142 2.984 0 40 DFAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)C3CC3)n2)cc1 11669014 YKTOLCQMXYXAOF-NSHDSACASA-N 315.373 2.593 0 40 DFAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102714311 XDKQZASWFPKWLP-WBMRYOJMSA-N 321.442 2.992 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1 46374103 GBTKTWPZIALKGR-GJZGRUSLSA-N 320.437 2.704 0 40 DFAB NCc1nnc(SCc2cccc(Br)c2)o1 11903985 BTXIAHJKXNFMGA-UHFFFAOYSA-N 300.181 2.583 0 40 DFAB Cc1c(Cl)c(C(=O)N[C@H](C)CN(C(C)C)C(C)C)nn1C 2781559 SIXZDSDUQCUBSR-LLVKDONJSA-N 314.861 2.619 0 40 DFAB Cc1cc(COC(=O)CCc2nc(-c3cccs3)no2)no1 24206730 CZTMBRUUGTZFGO-UHFFFAOYSA-N 319.342 2.771 0 40 DFAB CCS[C@@H]1CC[C@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)C1 110688553 RWWRSJGLNWHOCS-IVMMDQJWSA-N 317.462 2.987 0 40 DFAB C[C@H](NC(=O)c1cccc(Br)c1)c1cnn(C)c1 27919401 OHWUYPWZDVXFBC-VIFPVBQESA-N 308.179 2.674 0 40 DFAB Cc1cc(NC(=O)COC(=O)c2cccc3ccccc23)no1 3438338 RQUSQRDAQQQJGQ-UHFFFAOYSA-N 310.309 2.932 0 40 DFAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 3444521 LYSNCXBDLGKDJK-SFHVURJKSA-N 324.424 2.800 0 40 DFAB CNC(=O)c1ccc(Cl)c(NC(=O)NCc2ccco2)c1 48505342 JSXJWZXDCABDJS-UHFFFAOYSA-N 307.737 2.614 0 40 DFAB Fc1cccc(F)c1CNCc1cccnc1-n1cccn1 95350115 NETYJMUZPHEEDX-UHFFFAOYSA-N 300.312 2.835 0 40 DFAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](CC(=O)O)c1cccs1 13389591 MNCCACAEAYFHAZ-AAEUAGOBSA-N 319.382 2.848 0 40 DFAB O=C(O)C1CCN(C(=O)CCc2nc3ccccc3s2)CC1 49478556 BDXGFIGVECOGMK-UHFFFAOYSA-N 318.398 2.552 0 40 DFAB Cc1cccc(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)c1 64794786 BVFHAUSUWCTPMS-UHFFFAOYSA-N 323.352 2.755 0 40 DFAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCCC1)CC3 5086229 AZFMNAPGASLYTP-UHFFFAOYSA-N 311.429 2.847 0 40 DFAB biogenic CC(=O)NCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 9386641 DSOHXFHSAUOUMH-UHFFFAOYSA-N 316.401 2.659 0 40 DFAB C[C@@H](NC(=O)COc1ccc2c(c1)OCCO2)c1ccccc1 14017960 QHMUETDVMSCWIY-CYBMUJFWSA-N 313.353 2.714 0 40 DFAB Cc1cccc(-n2c(C)nnc2SCc2nnc(C)o2)c1 5357372 GALDFQVJCRMGTG-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1F 19736599 BURWVLSHSSBSHH-SNVBAGLBSA-N 304.321 2.823 0 40 DFAB Cc1cnc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)s1 14108990 BWTFSLYYSXGESI-VIFPVBQESA-N 303.343 2.559 0 40 DFAB CCN(C(=O)c1ccc(=O)n(CCOC)c1)[C@H]1CCCC[C@H]1C 66414907 BNMFIURTJCOLGS-ZBFHGGJFSA-N 320.433 2.536 0 40 DFAB CS[C@H](CO)[C@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12 95427411 LJMFRAHJXJCUMN-SWLSCSKDSA-N 320.458 2.638 0 40 DFAB Cc1cnc(SC[C@H](O)COc2cccc3[nH]ccc23)nc1 95442884 ZBPGKUYJYBFBJD-GFCCVEGCSA-N 315.398 2.798 0 40 DFAB Cc1ccsc1[C@H](C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 90116524 ZZNVCKNBCKUFOJ-QWHCGFSZSA-N 318.446 2.636 0 40 DFAB O=C(NCCc1nccs1)c1cc(-c2cccs2)[nH]n1 95480261 XTNBVKOYPPDJPR-UHFFFAOYSA-N 304.400 2.567 0 40 DFAB CCCCOCCCNC(=O)c1cccc(Br)n1 95451397 LHAVJAWLGIKQNI-UHFFFAOYSA-N 315.211 2.781 0 40 DFAB COc1cccc(OS(=O)(=O)c2cccc(C(C)=O)c2)c1 16093803 RPDKXCGGUGYJNH-UHFFFAOYSA-N 306.339 2.666 0 40 DFAB CCn1cnnc1C1CCN(C(=O)c2ccc(C)cc2C)CC1 68487865 CGBGJYKHBIGVJL-UHFFFAOYSA-N 312.417 2.935 0 40 DFAB CCc1ccccc1NC(=O)c1ccccc1S(C)(=O)=O 7724046 MMLOOYVKIUZZAC-UHFFFAOYSA-N 303.383 2.905 0 40 DFAB CCc1ccc(NC(=O)Cc2nc(C)c(C(=O)NC)s2)cc1 7845801 GFKUBNGXMHZGSJ-UHFFFAOYSA-N 317.414 2.555 0 40 DFAB O=C(CSc1nnnn1C1CC1)C12CC3CC(CC(C3)C1)C2 16374686 KOUKKWZPNYBJEH-UHFFFAOYSA-N 318.446 2.886 0 40 DFAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@H]1COC(=O)C1 95967240 FRJUHETZANOYDI-GNFNDJEDSA-N 305.418 2.614 0 40 DFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCC2 8187539 LVCAIRSTLOYDIK-UHFFFAOYSA-N 316.382 2.584 0 40 DFAB Cc1ccc(CCCCC(=O)OC[C@H]2CCCN2C(N)=O)cc1 70040384 CMDLNPYOZVAPFA-MRXNPFEDSA-N 318.417 2.794 0 40 DFAB NC(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 69533347 MGJMAIHNNXCOMS-JTQLQIEISA-N 314.838 2.591 0 40 DFAB O=C(OCc1nc(-c2ccsc2)no1)c1cccc(O)c1 9613630 HMQIOBGWBSVTLD-UHFFFAOYSA-N 302.311 2.861 0 40 DFAB COCCCCS(=O)(=O)N1CCC(=Cc2ccccc2)CC1 97097218 XMCHBHNURHBOSY-UHFFFAOYSA-N 323.458 2.922 0 40 DFAB CCn1nc(C)c(NC(=O)NCC[C@@H](C)N2CCCCC2)c1C 97107520 ZRFXFAHVSHUEQR-CYBMUJFWSA-N 321.469 2.906 0 40 DFAB CCOc1cc(N2CCC(Cn3nc(C)cc3C)CC2)ncn1 97163575 SZJCVSBZLBCLKA-UHFFFAOYSA-N 315.421 2.605 0 40 DFAB COc1cc(F)c([C@@H](C)N2CCC(N(C)C)CC2)cc1OC 97165404 XRETXYVRLCGABS-GFCCVEGCSA-N 310.413 2.930 0 40 DFAB CC[C@H](NC(=O)c1ccccc1OC)c1c(C)nn(C)c1C 72527557 XFGLJHCKEAGLQI-AWEZNQCLSA-N 301.390 2.927 0 40 DFAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(C2CC2)n1 75130795 FNLYQPCPVJEDND-KGLIPLIRSA-N 305.447 2.719 0 40 DFAB Cc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(=O)[nH]1 75119158 YNDLSLMVQUFORW-HNNXBMFYSA-N 324.384 2.687 0 40 DFAB O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCc2c(Cl)cccc21 89800164 XXNLSSKIDUPBRZ-HNNXBMFYSA-N 318.804 2.630 0 40 DFAB CCO[C@H]1C[C@H](NCc2ccc(-n3cncn3)cc2)C12CCC2 89986002 JTYQVXBHEOOQCX-IRXDYDNUSA-N 312.417 2.705 0 40 DFAB Cc1ccc(CN(CCCN(C)C)Cc2cnc(C)n2C)o1 43277915 XCFSRHZOKWXUKS-UHFFFAOYSA-N 304.438 2.584 0 40 DFAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 408728636 QLCGJJWSYYRAKQ-BHTHQVBYSA-N 303.745 2.563 0 40 DFAB CCOC(=O)Nc1nnc(SCc2nccn2CC)s1 70039805 VZDPSAIXIGBRCT-UHFFFAOYSA-N 313.408 2.615 0 40 DFAB Cc1nnc(CN(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)o1 79442895 QBJILTMHDMSISW-YOEHRIQHSA-N 314.433 2.720 0 40 DFAB Cc1cccc(NC(=O)CNCc2ccc3c(c2)OCO3)c1C 35311500 AZCNUMMTGRAAPF-UHFFFAOYSA-N 312.369 2.760 0 40 DFAB O=c1cc2c(nn1CN1CC[C@@H](c3ccccc3)C1)CCCCC2 79478600 JJTGEXKCXPEMRD-GOSISDBHSA-N 323.440 2.959 0 40 DFAB O=C(c1ncccc1Cl)N1CCN(c2ccccc2F)CC1 72243398 NOPLNMDDKVTBJK-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB CN1CCN(C(=O)Nc2ccc(F)cn2)[C@@H](c2ccccc2)C1 568825224 JSJTVICBVJBCKU-OAHLLOKOSA-N 314.364 2.741 0 40 DFAB CCOC(=O)[C@H]1C[C@H]2[C@H](O)CCCC[C@H]2N1Cc1ccccc1 212416214 JLSLXMNHMAAYET-BRSBDYLESA-N 317.429 2.744 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1F)C(=O)O 40710590 CDTXFWANMGZCPG-LLVKDONJSA-N 317.744 3.000 0 40 DFAB COC(=O)NCCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 78151009 YRDNSQIVNWFTHS-HOTGVXAUSA-N 318.417 2.650 0 40 DFAB COc1ccc(OCC(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155821 AADXYCMHXYSQGQ-ZDUSSCGKSA-N 313.353 2.888 0 40 DFAB CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cnc(C)s2)C1 194315814 OFZRMOQBAZDTPO-OAHLLOKOSA-N 310.419 2.503 0 40 DFAB Brc1cncc2cc(I)[nH]c12 95920115 FUTFGSCDVNIFDV-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNC(=O)/C=C/c1ccc(F)cc1 96450748 IXJJEHBKIGKFKA-ZTHSPGPESA-N 309.406 2.602 0 40 DFAB C/C(=C\C(=O)NCC[S@@](C)=O)c1cccc(C(F)(F)F)c1 98013936 IOVFNDFNAJXNSF-DJGBTNNQSA-N 319.348 2.603 0 40 DFAB C[C@@H]1OCCN(C(=O)NCCCCOc2ccccc2)[C@H]1C 96476971 ZERZDJIIPXSZFL-GJZGRUSLSA-N 306.406 2.664 0 40 DFAB O=S(=O)(Cc1cccc(F)c1)Nc1nc2ccccc2[nH]1 95453627 ZTFTWEKQEKLDFV-UHFFFAOYSA-N 305.334 2.644 0 40 DFAB Cc1cc(C(=O)O[C@H](C)c2nccs2)c2cnn(C)c2n1 97231557 HRQLRVFNHOZNRD-SECBINFHSA-N 302.359 2.651 0 40 DFAB CCc1cnc(NC(=O)CCn2c(C)c(C)sc2=O)s1 96431792 XSDBUHILTXZWIB-UHFFFAOYSA-N 311.432 2.574 0 40 DFAB c1ccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)nc1 96255160 APSXCOKDAOQHDC-UHFFFAOYSA-N 306.369 2.732 0 40 DFAB Fc1cnc(N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)nc1 96109360 ITGUNACMLANPQO-DYVFJYSZSA-N 314.364 2.696 0 40 DFAB c1coc(CN2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1 96042506 BVSKEUIIQOYBLZ-KURKYZTESA-N 314.385 2.623 0 40 DFAB CN(C)[C@H](CNC(=O)c1ccncc1F)c1ccc(Cl)cc1 96445610 RENSXBHMMYKCQR-OAHLLOKOSA-N 321.783 2.907 0 40 DFAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@@H]2CCCCN2C)n1 257320430 VWTZLCOWCVAUOE-HNNXBMFYSA-N 312.373 2.702 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)CCc3cccs3)C2)n1 257339044 YZYXXGBMTTXGKB-CYBMUJFWSA-N 301.415 2.795 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 257320649 VXTGUKKLRAQEAN-AWEZNQCLSA-N 306.369 2.896 0 40 DFAB O=C(c1cccnc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257271894 NAFOJVUKVVAUMT-MRXNPFEDSA-N 304.353 2.675 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1 257285316 PGPCAZAHOGMYRL-CYBMUJFWSA-N 311.451 2.560 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1C 260795971 NSVASSMEIAILFL-MELADBBJSA-N 309.431 2.779 0 40 DFAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 287716355 XVJYXHHIWDTQMQ-ZNLKAECVSA-N 310.463 2.948 0 40 DFAB CCC[C@@H](NC(=O)c1ccc2nn[nH]c2c1)[C@@H](O)c1ccccc1 390834147 SUJDIPUONQQPSC-WBVHZDCISA-N 324.384 2.590 0 40 DFAB COCC[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1 585095047 BDPDYOHOOKVLDB-HNNXBMFYSA-N 313.401 2.500 0 40 DFAB O=C(C1CCCC1)N1CCc2ncc(-c3cccnc3)n2CC1 585111680 ZXCXUBNFRKWWSA-UHFFFAOYSA-N 310.401 2.520 0 40 DFAB CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 67048705 JKRNDQGKFJBPDZ-UONOGXRCSA-N 307.463 2.724 0 40 DFAB Cc1nn(C)c(C)c1OC(=O)CSCCc1ccccc1 76023033 OFGGRAAVRLCLKY-UHFFFAOYSA-N 304.415 2.918 0 40 DFAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccsc1 76083505 JXCOUDUSBPSGMB-MRXNPFEDSA-N 316.426 2.978 0 40 DFAB Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1 95465382 GXPZAJCTOANPDL-GOSISDBHSA-N 310.397 2.803 0 40 DFAB CC(C)(C)OC(=O)NCc1nnc(S)n1-c1ccccc1 161670 MLKWKXJCGAYVOB-UHFFFAOYSA-N 306.391 2.581 0 40 DFAB Cn1cnnc1SCC(=O)Nc1ccccc1C(C)(C)C 3402786 SOMRVPQXUXUFDV-UHFFFAOYSA-N 304.419 2.843 0 40 DFAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 1888896931 BQDRUIFCKKRFGI-CYBMUJFWSA-N 306.410 2.621 0 40 DFAB COc1ccc(CC(=O)Nc2nc(C(C)=O)cs2)cc1OC 25256185 PVPMGEGLAFRLAY-UHFFFAOYSA-N 320.370 2.544 0 40 DFAB O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)C1CC1 41810547 VSUQYCBWTKOELY-QGZVFWFLSA-N 310.353 2.964 0 40 DFAB O=C(c1cn(Cc2ccccc2)nn1)N1CCc2sccc2C1 41865905 IIPRQUPPIBQIRF-UHFFFAOYSA-N 324.409 2.586 0 40 DFAB O=C(NCc1cn(-c2cccs2)nn1)Nc1cccs1 1565520110 GBXRFPVAISTVGW-UHFFFAOYSA-N 305.388 2.712 0 40 DFAB Cc1ccc2cc(-c3noc(-c4cccnc4)n3)c(=O)[nH]c2c1 9593193 COXSNYIUHLXKHK-UHFFFAOYSA-N 304.309 2.949 0 40 DFAB CCC[C@@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@@H]2O1 14594807 VAYQNUBOZLPGDH-UGQGEIBHSA-N 308.330 2.579 0 40 DFAB biogenic Cc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1F 23125657 UPYZECDLKVFZSH-LSDHHAIUSA-N 324.315 2.632 0 40 DFAB Fc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c(F)c1 120691338 NVTSQCCEKMJSNP-UHFFFAOYSA-N 318.249 2.591 0 40 DFAB C[C@@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 508224 BGTZSQTUUKHIRD-SVOAPTQOSA-N 303.745 2.747 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(C)c1 40161579 UWGMLOUGWDLHEU-HNNXBMFYSA-N 300.358 2.671 0 40 DFAB O=C(CCCn1cccn1)N[C@H]1CCOc2c(Cl)cccc21 50341859 JESITWBMLDJPOX-AWEZNQCLSA-N 319.792 2.957 0 40 DFAB CCCN(CCC)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 40527029 GATZTUJNGGZVLC-UHFFFAOYSA-N 302.382 2.625 0 40 DFAB COc1cc([C@@H](O)[C@@H](C)Oc2ccccc2OC)ccc1O 185098 QJGIDXOMZMVHIJ-DIFFPNOSSA-N 304.342 2.910 0 40 DFAB biogenic Cc1nc(C(C)C)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32924071 MDEUIRDKQHYDOP-UHFFFAOYSA-N 316.386 2.997 0 40 DFAB CC[C@@H]1CN(C(=O)c2sc3nc(C)nc(C)c3c2C)CCO1 33005111 PBILPHOTADLBAM-GFCCVEGCSA-N 319.430 2.868 0 40 DFAB COc1ccc(-c2cc3nc(C(=O)O)cc(C4CC4)n3n2)cc1 41543184 CAQYWBVCVGAGGT-UHFFFAOYSA-N 309.325 2.981 0 40 DFAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccsc2)CC1 23073990 RWJWNNTVPXLUFV-LBPRGKRZSA-N 308.447 2.761 0 40 DFAB Cc1cc(C)n(C[C@H](C)CN[C@@H](C)Cn2cnc(C)c2C)n1 93398709 BNVGKPKGDSKECI-OCCSQVGLSA-N 303.454 2.628 0 40 DFAB Oc1ccc(C2=CCN(c3cnnc(O)c3Cl)CC2)cc1 78257125 VZFSTSAPSJCZJO-UHFFFAOYSA-N 303.749 2.835 0 40 DFAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1 1377930 NPIXJKSRYOYALK-HZPDHXFCSA-N 301.390 2.740 0 40 DFAB CC[C@](C)(CC(=O)OC)NC(=O)c1cccc2ncccc12 79001371 JQSKODNDXRIMHI-QGZVFWFLSA-N 300.358 2.696 0 40 DFAB CCN(Cc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C 24978447 UYHHBEXMGGEKCW-UHFFFAOYSA-N 312.366 2.641 0 40 DFAB CC[C@@H](C)[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1nc2ccccc2[nH]1 55441804 XXRCNBFIEUBUKH-MLGOLLRUSA-N 324.384 2.714 0 40 DFAB CC(C)Cn1ccc2cc(NC(=O)N3CC[C@H](O)C3)ccc21 96009302 GRWTXEOYJNXMJG-HNNXBMFYSA-N 301.390 2.896 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)c1 55897680 HZDHXBLMDOKJQT-UHFFFAOYSA-N 317.410 2.984 0 40 DFAB Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)s1 107070653 BTTHJAHUCIGRRI-KBPBESRZSA-N 323.462 2.510 0 40 DFAB O=C(c1cncn1-c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 84576751 WHWZNXODZYZVEL-DOTOQJQBSA-N 311.385 2.656 0 40 DFAB COc1cc(CNC(=O)NCc2ccc(C)c(F)c2)ccn1 26306263 HDPJKTPMFPHLRE-UHFFFAOYSA-N 303.337 2.537 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 1887425 NLZCISYIRLXOLQ-MRXNPFEDSA-N 309.321 2.609 0 40 DFAB Cc1cnc2c(S(=O)(=O)N(C)c3ccccn3)cccc2c1 57994808 VKUCAWMEINZTCW-UHFFFAOYSA-N 313.382 2.763 0 40 DFAB Fc1ccc(-c2ccc(NCCNc3ncccn3)nn2)cc1 58197557 SIGOVMIIVHUUOC-UHFFFAOYSA-N 310.336 2.597 0 40 DFAB CC(C)Cc1noc(COc2cc(Cl)ccc2C(N)=O)n1 58192272 QUMNQXFNOJAVIK-UHFFFAOYSA-N 309.753 2.599 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58200976 AVHBDINGLIXZOW-CYBMUJFWSA-N 309.341 2.568 0 40 DFAB O=C(OC/C=C/c1ccccc1)[C@H]1CCCN1c1ncccn1 84517570 CGJWPLYDDOXCNE-DXWDOBMASA-N 309.369 2.702 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 9690990 NDFQIDPLJVNEBW-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58332050 POUKARZSUBQEPH-ZIAGYGMSSA-N 322.836 2.817 0 40 DFAB CC(=O)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 9876451 OBPYFLDCGXVHJO-CYBMUJFWSA-N 305.447 2.517 0 40 DFAB CC(=O)N[C@@H](CC(=O)Nc1cccc(C)n1)c1cccs1 10431128 VFMWYFYINDAXKR-LBPRGKRZSA-N 303.387 2.658 0 40 DFAB Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c2ccc(F)cc2n1 95389814 YLUPRBAFEBBQPR-UHFFFAOYSA-N 316.332 2.619 0 40 DFAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc2ccccc2c1 111991768 VLBQVLILVGYHDV-LBWNCTQTSA-N 307.349 2.976 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1ccccc1 10942714 FKKZXBHCIBIOLH-SJCJKPOMSA-N 312.321 2.641 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@H]2O 118925876 AKRBLZKRYPEVIK-XNLWHXBOSA-N 304.430 2.850 0 40 DFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 36627896 RDANHSZFKONERP-QFYYESIMSA-N 313.309 2.582 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21 2457128 YYMPNSBFODTVKG-GFCCVEGCSA-N 308.337 2.572 0 40 DFAB CCCn1c(SCCC(N)=O)nnc1-c1cccc(C)c1 45728377 CMDMHWFVRBXKLH-UHFFFAOYSA-N 304.419 2.631 0 40 DFAB COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 29252838 CHPZBASBJQUPKE-GFCCVEGCSA-N 314.389 2.504 0 40 DFAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccc[nH]c1=O 29675347 URAVJAALGIMQMO-UHFFFAOYSA-N 312.300 2.704 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002510 HBNJPRIIPXFVOT-ZDUSSCGKSA-N 316.380 2.561 0 40 DFAB O=C(CCc1ccccc1F)Nc1nnc(-c2ccccn2)[nH]1 47343077 PRDKMDVOVNHWTC-UHFFFAOYSA-N 311.320 2.577 0 40 DFAB COCCOCc1cccc(NC(=O)NCc2ccoc2)c1 47598596 YHBHHTTWYHNNRB-UHFFFAOYSA-N 304.346 2.764 0 40 DFAB COc1ccccc1OCC(=O)NCCOc1ccccc1C 55954629 QKCRWDKFCKDLHJ-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1cccc(F)c1 101276543 XSBIXSGGDVYBIX-AWEZNQCLSA-N 302.280 2.709 0 40 DFAB Cc1ccc(CN2[C@@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)o1 100119497 WKDLEJJUXBPDEV-XVSDVWIESA-N 323.396 2.877 0 40 DFAB O=C(Nc1ccccc1I)c1ccccn1 3325459 XEQQIWIXIHWXLH-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB Cc1cccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)c1 48314261 JTUDSDUHMKHMOW-UHFFFAOYSA-N 310.357 2.603 0 40 DFAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1C 3486256 UXDHVULKDGJYGO-OAHLLOKOSA-N 316.401 2.761 0 40 DFAB CN(C)C(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1 12916212 FYJYOYXYLAOOHC-UHFFFAOYSA-N 304.296 2.919 0 40 DFAB COCCOc1ccc([C@@H](C)NC(=O)C=C(C)C)cc1OC 49163802 YLMUUNDWKFIMTB-CYBMUJFWSA-N 307.390 2.864 0 40 DFAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCc2c(F)cccc21 65492945 QEFHYLADRYZBDX-INIZCTEOSA-N 302.397 2.711 0 40 DFAB Cc1ccc(-c2cc(CN3CCC4(CC3)OCCO4)on2)cc1 65554795 PPVQHUNRPRVAQX-UHFFFAOYSA-N 314.385 2.989 0 40 DFAB Cc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)c(=O)[nH]1 65549232 CNTDXQRBPOMPLO-UHFFFAOYSA-N 308.337 2.873 0 40 DFAB COc1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(C)nn32)cc1 65502018 ISUQMUUJPDDQBK-INIZCTEOSA-N 320.352 2.595 0 40 DFAB COc1ccc(Nc2cc(-n3ncc(C(C)=O)c3C)ncn2)cc1 5347803 ZXYYBOJHTXAQSX-UHFFFAOYSA-N 323.356 2.926 0 40 DFAB COc1ccccc1CCNC(=O)c1cc(Br)c[nH]1 14170294 RHYDDKNXVMPABP-UHFFFAOYSA-N 323.190 2.758 0 40 DFAB O=C(COCC(=O)Nc1ccccc1)NCCC1=CCCCC1 9355369 CGQYNIJZPMPGGH-UHFFFAOYSA-N 316.401 2.648 0 40 DFAB Cc1nc2ccccc2c(NC[C@H]2CCCS2(=O)=O)c1C 97086016 DRIHMHYGDPTHIU-CYBMUJFWSA-N 304.415 2.841 0 40 DFAB CCCCCNC(=O)c1sc2[nH]c(=S)[nH]c(=O)c2c1C 6657861 BEHLDBIFSUCMPT-UHFFFAOYSA-N 311.432 2.876 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](O)c3ccc(O)cc3O2)C1 96345708 VYKHGBVZZFBACX-GUYCJALGSA-N 321.373 2.588 0 40 DFAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccs1 9497958 OGVBUYJIISCUCB-CYBMUJFWSA-N 306.387 2.814 0 40 DFAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1)c1cccs1 7078025 ZGNFBHKWOWSXQY-MRXNPFEDSA-N 316.426 2.991 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCC[C@H]2C)sc2ncn(C)c(=O)c12 15426682 NSXUGOGVAXRWHW-KOLCDFICSA-N 319.430 2.612 0 40 DFAB O=S1(=O)CC[C@H](SCc2ccc(Br)cc2)C1 16401839 YKFPUSLVOYDVOP-NSHDSACASA-N 321.261 2.869 0 40 DFAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1CCC[C@@H](C)C1 68962623 YEIWKJMEQDLBPG-CYBMUJFWSA-N 303.406 2.624 0 40 DFAB COCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 69451412 HSQPPDCNDPLSPQ-UHFFFAOYSA-N 319.748 2.572 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 69510083 NTBUIKYQVCAWPU-IRXDYDNUSA-N 322.399 2.983 0 40 DFAB CC1([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)OCCO1 97107084 XKFFPLSTIDCMSH-MRXNPFEDSA-N 303.402 2.621 0 40 DFAB CC(C)Cc1noc(COc2cccc(C(=O)NC3CC3)c2)n1 69743843 CVTSBTIPYRGIKB-UHFFFAOYSA-N 315.373 2.739 0 40 DFAB CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cn(C)nc1CC 92198884 KMOLDQFNLXAWQK-HNNXBMFYSA-N 304.438 2.526 0 40 DFAB CC1=NN(c2ccc(C(=O)NCc3ccccc3)cc2)C(=O)C1 8748958 LLLJGMFOBLCMHJ-UHFFFAOYSA-N 307.353 2.729 0 40 DFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)cc1O 8728065 MNRXVWMYUXZZJG-ZDUSSCGKSA-N 313.353 2.562 0 40 DFAB CCC1(CC)CC(=O)N(Cc2cccc3c2OCCO3)C1=O 72311152 APBFIVXGHCGJOW-UHFFFAOYSA-N 303.358 2.523 0 40 DFAB CN1C(=O)C[C@H](NCc2cccnc2)[C@H]1c1ccc(Cl)cc1 92849924 XTJXJAHGVLMISK-DOTOQJQBSA-N 315.804 2.797 0 40 DFAB CC(C)C(=O)N1CC[C@@H](N[C@H]2CSCCc3ccccc32)C1 95423797 NQLZCDPQDPDHIB-WBVHZDCISA-N 318.486 2.864 0 40 DFAB C[C@@](O)(CNC(=O)C/C=C/c1ccc(F)cc1)C(F)(F)F 95446593 HCTVSSFCQPIKBF-YWVDXFKGSA-N 305.271 2.659 0 40 DFAB O=c1[nH]c(NC[C@H]2COc3ccccc3C2)nc2ccccc12 97994962 ICHVBXVXUNPMLR-LBPRGKRZSA-N 307.353 2.586 0 40 DFAB Cc1cc(C)c(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)o1 85265206 ASIWLFXJJKVXTA-UHFFFAOYSA-N 321.446 2.536 0 40 DFAB C[C@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)Oc1ccc(F)cc1 95939805 GIDQFQBITOCCBN-CXAGYDPISA-N 320.408 2.584 0 40 DFAB Cc1cncc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c1 95980980 WCYGPXGDMKXCSU-LBPRGKRZSA-N 300.333 2.920 0 40 DFAB CCC(CC)NC(=O)c1ccc(CSc2nncn2C)o1 9951551 HQEAIJJDZIMNGB-UHFFFAOYSA-N 308.407 2.619 0 40 DFAB Cc1nc(C)c(C)c(Sc2ccccc2S(C)(=O)=O)n1 89547971 WEOGYBNPDBZRFS-UHFFFAOYSA-N 308.428 2.957 0 40 DFAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc2ncccc2c1 89948987 LVIAMYGXFINIEW-VQIMIIECSA-N 311.429 2.971 0 40 DFAB CCC[C@@H](C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89949460 DTRIRKDLAXCRDC-GFCCVEGCSA-N 306.381 2.800 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C1CCC(C)CC1)CC2 89986307 PRHVXZNWOJPEMR-SSHXOBKSSA-N 309.450 2.591 0 40 DFAB O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1C[C@H]1c1ccco1 76066898 ZRIYOUGLSHWBFR-NEPJUHHUSA-N 301.346 2.639 0 40 DFAB COCCO[C@@H](C)C(=O)Nc1cc(-c2ccccc2)ns1 76091304 LSLJMQDZWIIZBN-NSHDSACASA-N 306.387 2.800 0 40 DFAB COC1CCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 76088310 XZOKENWKNVIIIS-CQSZACIVSA-N 306.406 2.583 0 40 DFAB O=C(NC[C@H](O)c1cccs1)c1ccc(Br)o1 74558625 OBBKRBYSNYVMMU-ZETCQYMHSA-N 316.176 2.567 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 35152666 FJRUECIPMQYYSM-UHFFFAOYSA-N 313.756 2.894 0 40 DFAB Cc1ccc(F)c(C(=O)NCC[S@](=O)Cc2ccccc2)c1 78913159 XLEDNKOOPPYQDB-JOCHJYFZSA-N 319.401 2.813 0 40 DFAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)cc1 36139435 SSSCGDAKSKRICC-HUUCEWRRSA-N 302.761 2.764 0 40 DFAB Cc1sc2ncc(C(=O)N(C)c3ccccc3)c(=O)n2c1C 183394690 QMRNNGQPZKEVHA-UHFFFAOYSA-N 313.382 2.649 0 40 DFAB Cn1ccc2ccc(C(=O)NCc3nc4ccccc4n3C)cc21 79475360 OECINHRMCKEQJS-UHFFFAOYSA-N 318.380 2.995 0 40 DFAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)N(C)C)CC1)O2 225817930 BEGFJUPQKIOXDF-UHFFFAOYSA-N 316.401 2.730 0 40 DFAB COc1cccc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)c1 225318499 IGGZYOSQLOTDPD-UHFFFAOYSA-N 317.316 2.561 0 40 DFAB CCN1CCN(Cc2cc(=O)oc3cc(C)cc(C)c23)CC1 20533427 WLHYEUXZPBRNTQ-UHFFFAOYSA-N 300.402 2.547 0 40 DFAB biogenic COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1 46085554 VQOFKKJRMOANJZ-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB CC[C@H](C)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 191717832 WIFZOZSPPFAQEO-JTQLQIEISA-N 306.797 2.891 0 40 DFAB CC(C)Oc1cc(CNc2ccc(S(C)(=O)=O)cc2)ccn1 195575597 ILJQLDCRRZHBBK-UHFFFAOYSA-N 320.414 2.884 0 40 DFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 224313649 HTRSJZLKLSCFNB-CYBMUJFWSA-N 308.397 2.725 0 40 DFAB CCc1cc(CNC(=O)Cc2cnccc2C(F)(F)F)on1 572540492 DGJCGFZECHJOGV-UHFFFAOYSA-N 313.279 2.510 0 40 DFAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1ccccc1)c1cccnc1 191062968 FOWIELUVXQTPRL-IBGZPJMESA-N 320.396 2.870 0 40 DFAB C[C@@H](N[C@H]1CCN2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F 195545549 YDMLKFFQWJASGX-IPJQOSJUSA-N 310.388 2.603 0 40 DFAB Cc1cc(NC(=O)N(C)C[C@@H](C)O)nn1-c1ccccc1Cl 96495634 SMMRKVUKLFIURI-LLVKDONJSA-N 322.796 2.679 0 40 DFAB C[C@H](OCCCNC(=O)N1CCOCC[C@H]1C)c1ccccc1 91598323 UABNOWXVKWLQRF-CVEARBPZSA-N 320.433 2.975 0 40 DFAB COC(=O)CN(C(=O)Cc1cccs1)c1cccc(F)c1 96451638 PJWHDEWXFHFOGR-UHFFFAOYSA-N 307.346 2.636 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)c1ncccc1OCC(F)F 96404162 ZBMWXMXZHWRTSC-UHFFFAOYSA-N 322.311 2.703 0 40 DFAB Cc1ccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)s1 96239345 AMUUZNJKRHNSMW-KRWDZBQOSA-N 320.458 2.664 0 40 DFAB CCO[C@H](C)c1noc(CNC(=O)Nc2ccc(F)cc2)n1 96433624 FTEATSSKODVKGQ-SECBINFHSA-N 308.313 2.628 0 40 DFAB CCn1cc(N[C@H](C)C(=O)Nc2cccc3ncccc23)cn1 97377394 CQPSOLJHSNJISN-GFCCVEGCSA-N 309.373 2.890 0 40 DFAB CO[C@H](CNS(=O)(=O)c1cccs1)c1ccc(C)s1 96104782 OZJMWSSAVJIYIP-SNVBAGLBSA-N 317.457 2.784 0 40 DFAB C[C@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1 96192682 ULKDZVMFRPJRHD-SJCJKPOMSA-N 304.365 2.967 0 40 DFAB Cc1nnc(N2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)s1 96039913 DVUMRGFHTYAKIO-GOEBONIOSA-N 323.462 2.649 0 40 DFAB Cc1ccc(CNC(=O)Cc2cc(-c3ccccc3)on2)n1C 96444575 OZTSWDAUBAVKPG-UHFFFAOYSA-N 309.369 2.847 0 40 DFAB Cc1ccccc1CNC(=O)c1ccccc1-n1cc(CN)cn1 257324028 WMVXAEBGIKUGDA-UHFFFAOYSA-N 320.396 2.569 0 40 DFAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1c1cnccn1 257298323 RLFGNRZIGHLWPP-MRXNPFEDSA-N 307.353 2.616 0 40 DFAB O=C(NC1CCCC1)N1CCC[C@H](c2nnc3ccccn23)C1 31030931 HHLJQKTVQFWZKH-ZDUSSCGKSA-N 313.405 2.561 0 40 DFAB Cc1nc(CNC(=O)NCC2(c3ccccc3)CC2)cs1 45326055 IPIMBTHLEWNXHF-UHFFFAOYSA-N 301.415 2.983 0 40 DFAB COCCN(C(=O)c1cn2c(C)cccc2n1)C1CCCC1 45512498 XULKIOXKTWGDFW-UHFFFAOYSA-N 301.390 2.674 0 40 DFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2C)C1=O 981697 MSWOSKVCTAQXNQ-MJWAUXSNSA-N 305.355 2.593 0 40 DFAB OCCCNc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5582979 XVCDHPSZKXLCML-UHFFFAOYSA-N 304.737 2.733 0 40 DFAB COc1ccc(N2C3=[N+](C[C@]2(C)O)c2ccccc2CC3)cc1 13152743 MEQQQFZJDYCQGO-IBGZPJMESA-N 309.389 2.913 0 40 DFAB O=C(O)c1ccccc1CN1CCN(Cc2ccccc2)CC1 19850766 VSKVFEGRVCGZQZ-UHFFFAOYSA-N 310.397 2.703 0 40 DFAB O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1cc(F)cc2[nH]cnc12 152324145 TXIQKRAORGHKRW-SRCQZFHVSA-N 307.328 2.770 0 40 DFAB COc1ccc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 11773140 ITJSZZXMXKZBNP-UHFFFAOYSA-N 324.384 2.951 0 40 DFAB CC(C)CC[C@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O 25224328 NLZIDFPDDVWQHL-PBHICJAKSA-N 322.380 2.606 0 40 DFAB C[C@]1(CNCc2csnn2)CCCN1Cc1ccccc1 154808400 KMFSHXRZDDVBFA-MRXNPFEDSA-N 302.447 2.682 0 40 DFAB CC(C)CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905547 CETSJPYJGBOWBB-SFHVURJKSA-N 323.408 2.994 0 40 DFAB CCOC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O 52125 GNTVWXJGIAJGJL-NSHDSACASA-N 318.325 2.634 0 40 DFAB biogenic CCOc1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)cc1 49407334 JXALLQXHBRUGSX-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB CCCc1nnc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn12 2298124442 PKFSZOGVZFHNNK-UHFFFAOYSA-N 306.728 2.625 0 40 DFAB Cc1ccc2[nH]c(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc2c1C 97231771 JRXLRDMDTXIMCB-NWDGAFQWSA-N 300.358 2.768 0 40 DFAB C[C@@H](NC(=O)c1cccnc1)c1ccc(NC(=O)C2CC2)cc1 31395486 HPNURYLAKPOVBX-GFCCVEGCSA-N 309.369 2.921 0 40 DFAB O=C(Cc1cn(CN2CCCC2)c2ccccc12)N1CCCC1 20622368 GNYSCOIELWUHSP-UHFFFAOYSA-N 311.429 2.860 0 40 DFAB CC(=O)N[C@@H](CC(=O)N(C)c1ccccc1)c1cccs1 21441151 OFJQEXGVAXSHFO-AWEZNQCLSA-N 302.399 2.978 0 40 DFAB COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cn1 32873794 NOLIAVQGWBXBTQ-UHFFFAOYSA-N 302.399 2.961 0 40 DFAB O=C(Nc1nccs1)[C@@H]1CCCCN1C(=O)c1cccs1 32905808 VVGPLIRBSRHTKE-JTQLQIEISA-N 321.427 2.838 0 40 DFAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cnccn1 416553 AQVWGNKXMLEWLB-UHFFFAOYSA-N 308.297 2.574 0 40 DFAB CCn1cc(C(=O)N(CC(N)=O)C2CCCC2)c2ccccc21 42092646 PIWVXFFDNDQVNU-UHFFFAOYSA-N 313.401 2.531 0 40 DFAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)C1 819271 DSZGDJZJHXGRDW-HNNXBMFYSA-N 316.445 2.863 0 40 DFAB Nc1nonc1NC(=O)CSc1cccc2ccccc12 43554 KJFWZJGOCSOZJG-UHFFFAOYSA-N 300.343 2.536 0 40 DFAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 132079 UEBMCLBFGWQOLY-UHFFFAOYSA-N 319.386 2.621 0 40 DFAB CCOC(=O)CCCCCNc1nc(Cl)nc(Cl)n1 1567469 LEUQFDCSUWDNTF-UHFFFAOYSA-N 307.181 2.714 0 40 DFAB CCc1nc([C@@H]2CCCN2Cc2cn3ccsc3n2)no1 72318933 LTNWHIXPKVBKHW-NSHDSACASA-N 303.391 2.678 0 40 DFAB CCN(C(=O)c1cnccn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106132173 FODNHVCIMLLQIU-NVXWUHKLSA-N 324.428 2.774 0 40 DFAB O=C(Nc1cccc(OCCn2cncn2)c1)c1ccccc1 43246431 NLQNJGPTIUASKF-UHFFFAOYSA-N 308.341 2.609 0 40 DFAB Nc1nccnc1C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 78727095 WRLPOPOOAWNQJU-GJZGRUSLSA-N 310.401 2.590 0 40 DFAB COc1cc(CN(C)Cc2nccn2C)c(SC)cc1OC 78869908 KEWIQGRFUPPJID-UHFFFAOYSA-N 321.446 2.791 0 40 DFAB CCCNC(=O)N(CCC)S(=O)(=O)c1ccc(Cl)cc1 1618708 KXRGKYBNQFPXAG-UHFFFAOYSA-N 318.826 2.860 0 40 DFAB Cc1nnsc1[S@](=O)c1ccc(Br)cc1 1389365 FZGMQUPEASHIGC-HNNXBMFYSA-N 303.206 2.776 0 40 DFAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@H](O)[C@@H]2O 4655206 UHQGCIIQUZBJAE-YLXRRXKZSA-N 302.414 2.883 0 40 DFAB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CCC1 56479016 NFKMGRMARABSJT-UHFFFAOYSA-N 313.445 2.957 0 40 DFAB COc1cc(OC)cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c1 6852974 GFZRNTDTHBILBC-SJKOYZFVSA-N 315.369 2.556 0 40 DFAB CC(=O)Nc1ccc(-c2nc(N3CCOCC3)sc2C)cc1 8394868 JPAQSWLXGPPYTF-UHFFFAOYSA-N 317.414 2.914 0 40 DFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 103645498 PZFVMLFYFSWYFF-UHFFFAOYSA-N 323.345 2.722 0 40 DFAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Cn2cccn2)cc1 58178624 WAALPVLNDXAODI-OAHLLOKOSA-N 315.417 2.808 0 40 DFAB CC[C@H]1CCCCN1C(=O)Cc1csc(-c2ncccn2)n1 58283575 ZLJKECRNRKXETQ-ZDUSSCGKSA-N 316.430 2.934 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2ccccc2)c(-n2cnnn2)c1C 44902049 SIQLCFACTHPZTQ-UHFFFAOYSA-N 321.384 2.551 0 40 DFAB CCC1=C(C(=O)OC)[C@H](c2ccc(SC)cc2)NC(=S)N1 9724471 XOXKEGYCEBTZKN-ZDUSSCGKSA-N 322.455 2.764 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2)CC(C)(C)O1 58874332 BNOXHXLVNUSHOV-LBPRGKRZSA-N 317.364 2.651 0 40 DFAB Cc1nonc1CSc1nnc(-c2ccc(F)cc2)n1C 36612013 LYNGKOMFLLYXLB-UHFFFAOYSA-N 305.338 2.605 0 40 DFAB CCn1c(CNS(=O)(=O)c2ccccc2)nc2ccccc21 11615644 VOEMWMHWRHARBD-UHFFFAOYSA-N 315.398 2.535 0 40 DFAB Cc1cccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccccn1)C2 100149185 YWYCONLBHDYGCM-IAGOWNOFSA-N 323.440 2.905 0 40 DFAB NC(=O)[C@@H](OC(=O)CSc1ccccc1)c1ccccc1 11672198 USFWFCDFLOCJCX-HNNXBMFYSA-N 301.367 2.549 0 40 DFAB O=C(NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 21596179 VPAVSWVSXBLYNJ-UHFFFAOYSA-N 314.366 2.585 0 40 DFAB CC[C@H]1CN(C(=O)NCc2ccc(COC)c(F)c2)C[C@@H](C)O1 95395173 LSYGSKCAGBVSTH-DOMZBBRYSA-N 324.396 2.681 0 40 DFAB O=C(C1CCCC1)N1CCN(c2ncnc3sccc23)CC1 29528735 CJZQOGZAQVTOHR-UHFFFAOYSA-N 316.430 2.530 0 40 DFAB CC(C)(C)OC(=O)NCCn1ccc2ccc(C(=O)O)cc21 2541451 DLKSQIDOSQMQPU-UHFFFAOYSA-N 304.346 2.864 0 40 DFAB CCC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 60373010 ZIFDLCDJILWQEX-GOSISDBHSA-N 310.353 2.586 0 40 DFAB Cc1cc(C(F)(F)F)nc(SCC(=O)NCC(C)C)n1 2790188 FKOHNGPNYVBMDT-UHFFFAOYSA-N 307.341 2.668 0 40 DFAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(OC)cc1 3254785 CMFOWUNOILRBBL-AWEZNQCLSA-N 305.374 2.643 0 40 DFAB Cc1ccccc1[C@@H](C)NC(=O)CNC(=O)Nc1ccccc1 12778012 NZETWVMMJBAEKN-CQSZACIVSA-N 311.385 2.994 0 40 DFAB Cc1ccnc(CN2CCC(C(=O)Nc3ccccc3)CC2)n1 95440698 MHQPXAZCKLJXRB-UHFFFAOYSA-N 310.401 2.636 0 40 DFAB CNC(=O)CCN1CCC[C@@H]1c1ccccc1Br 95410333 WITLBDUGGZQIEW-CYBMUJFWSA-N 311.223 2.722 0 40 DFAB O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1F 12865342 GGZNXOJLTCWYBF-UHFFFAOYSA-N 317.345 2.626 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1c(F)cccc1F 25670340 IVRLHCAYNKLHSY-CQSZACIVSA-N 324.327 2.840 0 40 DFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(F)c(F)c1 3429564 CXHXLMABNKWADR-UHFFFAOYSA-N 305.206 2.819 0 40 DFAB CCCc1noc([C@H](C)N(C)Cc2ccc3c(c2)OCCO3)n1 62639932 POJQCTDEHPQYCE-LBPRGKRZSA-N 317.389 2.986 0 40 DFAB COc1ccc2[nH]c(=O)c(-c3noc(-c4cccnc4)n3)cc2c1 9210368 SFLOJSIVLLFLIY-UHFFFAOYSA-N 320.308 2.649 0 40 DFAB Cc1ccc(OC[C@@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)cc1 95404531 VBUZRFTZNDJKAV-KGLIPLIRSA-N 316.405 2.556 0 40 DFAB COC(=O)[C@H](c1ccc(F)cc1)n1c(=O)sc2ccccc21 95425974 PTZCDXAAZPWOAW-AWEZNQCLSA-N 317.341 2.965 0 40 DFAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2ccccc21 83540308 LNTOPIGMSWATLK-PGKMIFDNSA-N 320.458 2.839 0 40 DFAB CNc1snc(C)c1C(=O)N[C@H](C)CC(=O)c1cccs1 95450626 NRFZJZZRVMOEAI-MRVPVSSYSA-N 323.443 2.946 0 40 DFAB CCOCCCC(=O)N1CCN(c2cccc(OC)c2)[C@H](C)C1 95431496 MGSARGYXDPQNRI-OAHLLOKOSA-N 320.433 2.549 0 40 DFAB CCn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 65593413 LBSVJGSJBOYAAI-ZDUSSCGKSA-N 322.409 2.631 0 40 DFAB Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1=O 65656164 HULUTYCWWILPCI-UHFFFAOYSA-N 300.333 2.585 0 40 DFAB CCn1cc(NC(=O)NC[C@H](C)Oc2ccc(C)cc2)cn1 96431317 BKJWABNSCSDRHW-ZDUSSCGKSA-N 302.378 2.800 0 40 DFAB O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccccn1 5485816 LWQMFNDSHJGPAQ-UHFFFAOYSA-N 310.744 2.975 0 40 DFAB O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4731584 QYPAZOXVJRPMRZ-GFCCVEGCSA-N 304.365 2.945 0 40 DFAB O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCCCO2 6923447 ZWQUJYOPSHZZFL-UHFFFAOYSA-N 324.380 2.849 0 40 DFAB CC(C)(C)Cc1noc2ncc(C(=O)NC3=NCCS3)cc12 71826991 KYOWSXADRQXUQA-UHFFFAOYSA-N 318.402 2.644 0 40 DFAB O[C@H](CNc1ncnc2[nH]cnc12)c1ccc2ccccc2c1 67372936 UWXPWSKTJACITH-CQSZACIVSA-N 305.341 2.652 0 40 DFAB Cc1cc(-n2nnc(C(=O)O)c2-c2ccncc2)ccc1Cl 67323710 DBUABGHFRSPIOV-UHFFFAOYSA-N 314.732 2.989 0 40 DFAB in-vitro CCc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 7390134 LSEHCTXVTITNHD-UHFFFAOYSA-N 321.380 2.906 0 40 DFAB C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 20279348 MWNDKSGQZZLRPG-JTQLQIEISA-N 304.296 2.722 0 40 DFAB C[C@](CO)(NCc1cc2ccccc2[nH]c1=O)C1CCCCC1 71916267 POXUXFYWMBAFPM-LJQANCHMSA-N 314.429 2.949 0 40 DFAB CCO[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 69163088 QFYIDXGVANBCLR-SJORKVTESA-N 320.408 2.646 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3ccsc23)n1 69453401 UFULHEHFWYTZAC-GFCCVEGCSA-N 314.418 2.569 0 40 DFAB CN(Cc1cnn(C)c1)C(=O)NCc1ccc(F)c(Cl)c1 69558130 JJMVEBYTEMCKPO-UHFFFAOYSA-N 310.760 2.554 0 40 DFAB Cc1ccoc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91776818 QPKPVHAFSGNYLD-SMDDNHRTSA-N 307.296 2.814 0 40 DFAB COc1ccc(-c2nsc(NC(=O)CCOC(C)C)n2)cc1 69662165 YEVXTIGWFHTRFD-UHFFFAOYSA-N 321.402 2.967 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2nc(C)no2)c(C)c1 69872263 AADDQGPKHCZSTO-GFCCVEGCSA-N 302.378 2.864 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)CCc1ccco1 69841380 NCPHPDSLBPQPKS-ZDUSSCGKSA-N 322.405 2.728 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)C1 69921143 BGNSCSAKTSJRNU-ZACQAIPSSA-N 324.428 2.808 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)NCCOC(C)C 97113438 WMPUBMFORMCMJH-UHFFFAOYSA-N 306.410 2.537 0 40 DFAB CN(CCc1cccs1)C(=O)NC1CCC2(CC1)OCCO2 73631772 FDCTYZBWFAQFFH-UHFFFAOYSA-N 324.446 2.618 0 40 DFAB C[C@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)n1cncn1 95987132 SBJRZSOSPBJLQB-MFKMUULPSA-N 320.780 2.523 0 40 DFAB COc1ccc(C)cc1[C@H](C)NCc1nnc(C2CC2)n1C 95984323 HVIUMYVGUQQLCQ-LBPRGKRZSA-N 300.406 2.860 0 40 DFAB O=C(NC[C@H](O)c1ccco1)C1(c2ccc(F)cc2F)CCC1 95992104 QTJAICRFBFMBEL-AWEZNQCLSA-N 321.323 2.829 0 40 DFAB CN(C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1)C1CCC1 95963206 WOBUZKQTPKLNJI-UHFFFAOYSA-N 324.388 2.595 0 40 DFAB O=C(Nc1cc(Cc2ccccc2)ccc1O)c1ccc(O)nn1 75092577 JCTNQIPIOZLOJQ-UHFFFAOYSA-N 321.336 2.731 0 40 DFAB Cc1cccc(-n2ncc(NC(=O)Cn3ccnc3C)c2C)c1 1557145728 KQRXHUHTANDIIM-UHFFFAOYSA-N 309.373 2.633 0 40 DFAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1cccc2ccccc12 409385055 GZJGUGDCHCPDPZ-DRMAHVMPSA-N 323.348 2.823 0 40 DFAB CN1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1c1ccccc1 74563393 IZGCZMWLXQVDAF-SFHVURJKSA-N 320.396 2.692 0 40 DFAB CC(=O)N[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 31771833 JDYAEPOVCTZWTD-SXLOBPIMSA-N 322.408 2.878 0 40 DFAB c1nc(-c2ccc(-c3nn4c(C5CC5)nnc4s3)cc2)n[nH]1 71712008 BCBKENMVCSGXOX-UHFFFAOYSA-N 309.358 2.515 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nccc(Cl)n1 72203430 VCZNBQIKNCJUQP-JTQLQIEISA-N 312.801 2.941 0 40 DFAB C[C@H](O)C(=O)N1CCC(c2ccccc2Br)CC1 189581161 WNVDINHOQFXBDM-JTQLQIEISA-N 312.207 2.536 0 40 DFAB O=c1onc(-c2cccs2)n1CCOc1ccc(F)cc1 72033717 FIUYTTDWRCOACR-UHFFFAOYSA-N 306.318 2.783 0 40 DFAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cn1ccc2ccccc21 72242556 RQNKSFKFESPYET-QGZVFWFLSA-N 320.396 2.934 0 40 DFAB CSc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 72203135 SHZFGBHBMYWIOR-LLVKDONJSA-N 324.450 2.692 0 40 DFAB C[C@](O)(CNC(=O)c1ccc(O)cc1F)c1cccc(Cl)c1 185087877 NEOHNIPCGMTNQS-INIZCTEOSA-N 323.751 2.822 0 40 DFAB C[C@@](CO)(NCc1noc(-c2ccoc2)n1)C1CCCCC1 77656294 GGMAIDPFWMRWFG-INIZCTEOSA-N 305.378 2.751 0 40 DFAB CCc1cc(N2CCC(c3noc(C4CC4)n3)CC2)nc(C)n1 329696134 BQXMXZIMEGRENA-UHFFFAOYSA-N 313.405 2.992 0 40 DFAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nccn1C 80114125 YECNCYLAMUGHKT-BDJLRTHQSA-N 316.380 2.682 0 40 DFAB COc1ccc(C(=O)c2ccccc2OC(C)=O)cc1OC 43209819 SUXCVSGIOZLPLX-UHFFFAOYSA-N 300.310 2.860 0 40 DFAB CCn1nc(C)c(NC(=O)N(C)CCCn2ccnc2C)c1C 89481949 YUWBOEFUXJPZPQ-UHFFFAOYSA-N 318.425 2.579 0 40 DFAB CN(C)c1nccc(CNC(=O)Nc2cccc(Cl)c2)n1 224237005 FHXLZYLEXFECHX-UHFFFAOYSA-N 305.769 2.518 0 40 DFAB CC(C)n1cncc1CN1CCc2c(nnn2-c2ccccc2)C1 575603823 OIUXKYLTCJIIIN-UHFFFAOYSA-N 322.416 2.603 0 40 DFAB COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1OC 49545659 OIAOYNXULVLKOJ-AWEZNQCLSA-N 319.386 2.862 0 40 DFAB Nc1ccc2cc(-n3cc(-c4ccccc4)nn3)c(=O)oc2c1 91665667 QBWDJBYWVLKJNB-UHFFFAOYSA-N 304.309 2.623 0 40 DFAB CCN(CC)[C@H]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 96215528 COWOYWOIPYLTLY-MAUKXSAKSA-N 320.433 2.694 0 40 DFAB O=C(c1ccsc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96057895 BGADJHPTUWYUCJ-RRFJBIMHSA-N 307.415 2.547 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1ccc(F)cc1Br 96420124 TYCKAAAXHYIEHY-NSHDSACASA-N 319.174 2.727 0 40 DFAB C[C@H](N1CCN(C(=O)Nc2cccc(F)c2)CC1)C(F)(F)F 96454081 NHCBRACTGOSSOK-JTQLQIEISA-N 319.302 2.926 0 40 DFAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C)n3)CC(=O)N2C)cc1 96181313 VILOWTRXJINXJG-CRAIPNDOSA-N 323.396 2.857 0 40 DFAB CC(C)(C)Oc1c(F)cc(NC(=O)c2nccnc2N)cc1F 97370237 QXKLMPZJIUHHBS-UHFFFAOYSA-N 322.315 2.767 0 40 DFAB C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](O)C1)C(=O)c1ccc(Cl)cc1 96495249 JDKRPVOOTTYZIW-JMSVASOKSA-N 323.820 2.778 0 40 DFAB CCS(=O)(=O)C[C@H](C)N[C@H]1CC[C@](C)(c2ccccc2)C1 249215831 ZZNDKQCHTMSQFU-XIRDDKMYSA-N 309.475 2.910 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 257281761 OQWXNHFBOKIVPX-GFCCVEGCSA-N 304.419 2.513 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 257205440 AZBBNQSLDWLIQI-YOEHRIQHSA-N 307.390 2.826 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCN(c2cnc3ccccc3n2)CC1 1055721966 ZAQNHZPAKYJHDE-HNNXBMFYSA-N 322.412 2.635 0 40 DFAB CN(C(=O)c1ccc(Br)cc1Cl)[C@H]1CCNC1 71310003 KNFGJNRSNUXUHQ-VIFPVBQESA-N 317.614 2.536 0 40 DFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCCN1 953030375 GUZVNJABJVYLEF-IBGZPJMESA-N 309.413 2.549 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n[nH]1 76059922 JFTZKINSUBRSDQ-LBPRGKRZSA-N 302.378 2.849 0 40 DFAB CN(C)c1cccc(CNC(=O)COc2ccccc2F)c1 58331820 CFCLTSLDKWQMOW-UHFFFAOYSA-N 302.349 2.587 0 40 DFAB Brc1ccc(N[C@H]2CCN(c3ccccn3)C2)nc1 89883809 XHNVQHVOJQTASX-LBPRGKRZSA-N 319.206 2.930 0 40 DFAB Cn1ncc2c1ncn1c(-c3ccc(C(C)(C)C)cc3)nnc21 5305558 JIWPAGPIOUOILW-UHFFFAOYSA-N 306.373 2.976 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 12625306 ZFDCCSJSPIQLSH-BETUJISGSA-N 305.399 2.638 0 40 DFAB COc1ccc(-c2c(O)c3c(O)cc(O)cc3oc2=O)cc1 14983678 CIPQVCVRQQYHLE-UHFFFAOYSA-N 300.266 2.585 0 40 DFAB C[C@@H]1CN(Cc2ccco2)CCN1C(=O)Cc1ccccc1F 19574548 UQTDABXSYJUJNP-CQSZACIVSA-N 316.376 2.694 0 40 DFAB CCn1cc(CN(C)C(=O)Cc2ccc(Cl)c(OC)c2)cn1 581924776 XMFGJIUSVKNWFP-UHFFFAOYSA-N 321.808 2.766 0 40 DFAB O=C(CN1CCc2ccccc21)Nc1cccc2nsnc12 19077041 TWFIHAWZOWDNRJ-UHFFFAOYSA-N 310.382 2.693 0 40 DFAB COC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)OC(C)(C)C 698514195 KILPQIZOTUVZHP-GFCCVEGCSA-N 315.316 2.574 0 40 DFAB CCc1cccc(-n2ccn(Cc3ccc(F)cc3)c(=O)c2=O)c1 4569907 RBJVBHBSQBNNLZ-UHFFFAOYSA-N 324.355 2.749 0 40 DFAB CC(C)c1nnc(N2CCC[C@@H](COc3cnccn3)C2)s1 2298187271 BYXFGSHLWDGKRG-GFCCVEGCSA-N 319.434 2.747 0 40 DFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 541060 NMNAIMBXFKAHQX-HNNXBMFYSA-N 316.332 2.732 0 40 DFAB Cc1cc(C)n([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1 100818946 VMXTVPGNAOOTEL-AWEZNQCLSA-N 317.776 2.966 0 40 DFAB CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(C(C)C)cc2)S1 182323 PDPHQCQWRDAFQC-CQSZACIVSA-N 305.403 2.811 0 40 DFAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccsc1 264525 OMRXPYSEHCJAJZ-UHFFFAOYSA-N 321.398 2.670 0 40 DFAB Cn1ncc2c(NCCOc3cccc(Cl)c3)ncnc21 52282151 PZBPANGZRJZZPQ-UHFFFAOYSA-N 303.753 2.508 0 40 DFAB O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCCCC1 32794971 YBIDQFYLNLAGFZ-GFCCVEGCSA-N 306.793 2.705 0 40 DFAB O=C(c1cn(-c2ccccc2)nn1)N1CCc2sccc2C1 32816481 JAVSGUIHZORVBN-UHFFFAOYSA-N 310.382 2.527 0 40 DFAB CC(C)CNC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 32802419 WGWCEGWQSZXNAW-AWEZNQCLSA-N 304.369 2.604 0 40 DFAB COc1ccccc1CCNC(=O)c1cc(-c2cccnc2)on1 41460901 YXVRMOXYJGZCIA-UHFFFAOYSA-N 323.352 2.718 0 40 DFAB CC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1)C1CCCC1 53458597 AVZNEIDEURWNTA-INIZCTEOSA-N 322.836 2.694 0 40 DFAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 376983 VWFQCBLRASBODV-LBPRGKRZSA-N 313.353 2.957 0 40 DFAB COCc1c(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)oc2ccccc12 78894655 JIUWXKGCFBICMP-DOMZBBRYSA-N 316.401 2.601 0 40 DFAB O=C(CNc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 79726042 MIHQOVWURRKPCA-KRWDZBQOSA-N 314.360 2.838 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)c1 106580387 VINDRTMUVXOYNR-HZSPNIEDSA-N 317.433 2.523 0 40 DFAB CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 4111565 OATADCACUCTNIL-QAETUUGQSA-N 302.349 2.716 0 40 DFAB O=C([C@H]1COCCO1)N1CCC[C@@H]1c1cccc2ccccc12 56363865 UYSOANIFOMMREP-QZTJIDSGSA-N 311.381 2.919 0 40 DFAB O=C(CN1CCCCCCC1)Nc1ccc2c(c1)OCCO2 4969071 SEGZOCOUHJVHTA-UHFFFAOYSA-N 304.390 2.662 0 40 DFAB Cc1nc(CCNC(=O)N2CCC[C@@H]2c2ccccn2)cs1 56597710 NEKOXLXFFADGRF-OAHLLOKOSA-N 316.430 2.936 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)c(C)c1 7062230 BLPXWVWQHWWMNS-CQSZACIVSA-N 304.415 2.870 0 40 DFAB CCn1cc(CC(=O)N2CCC[C@H]([C@H](C)O)C2)c2ccccc21 89305627 ZDSOGXNKIQFAIE-GJZGRUSLSA-N 314.429 2.823 0 40 DFAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)[C@@H]1CCCO1 26400076 MMCWTSQOVQTHRJ-PWSUYJOCSA-N 305.403 2.663 0 40 DFAB CCCCOc1ccc(-c2cc3c4n[nH]c(=O)n4ccn3n2)cc1 57352197 TWCZQCAWXKSZFH-UHFFFAOYSA-N 323.356 2.516 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)cc1C 8265131 ADIFNWRCIUIMQT-INIZCTEOSA-N 314.429 2.915 0 40 DFAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CC[C@@H]([C@H](C)O)C1 108468710 GKLDWNWKXCMQCL-USXIJHARSA-N 304.434 2.728 0 40 DFAB CSCC1(CN2CCCN(c3ccc(C)nn3)CC2)CCC1 95435326 HZIWTOXTVYUUHA-UHFFFAOYSA-N 320.506 2.830 0 40 DFAB COc1ccc(-c2nnc(NC(=O)c3ccc[nH]3)s2)cc1 95448073 HHFUBSGWUBLOJI-UHFFFAOYSA-N 300.343 2.794 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)c1cn(Cc2ccccc2)nn1 44895633 IWRIUWYSBIXWLU-UHFFFAOYSA-N 324.359 2.738 0 40 DFAB C[C@@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C[C@@H](C)O1 12534386 GGXVJPMITRWPQG-VXGBXAGGSA-N 317.414 2.784 0 40 DFAB COc1ccccc1C1(CNC(=O)c2cc(C(C)=O)c[nH]2)CC1 58228648 BFCDZTBWMPWOIF-UHFFFAOYSA-N 312.369 2.688 0 40 DFAB O=c1[nH]c(CSC[C@H](O)c2ccccc2)nc2ccccc12 44966180 CUDNVJNUHSMDJG-HNNXBMFYSA-N 312.394 2.890 0 40 DFAB CN(c1ccccc1F)S(=O)(=O)c1cc(F)ccc1F 58356267 SAGFCLRMHALISJ-UHFFFAOYSA-N 301.289 2.929 0 40 DFAB Cc1ccc2nc(Cc3nc(-c4ccccc4)n[nH]3)[nH]c(=O)c2c1 89657469 NHARNVLRVIRMGA-UHFFFAOYSA-N 317.352 2.607 0 40 DFAB O=C(CSc1cccc[n+]1[O-])N[C@H]1CCCc2ccccc21 3223378 ZDJZMWWPRLVNHF-HNNXBMFYSA-N 314.410 2.606 0 40 DFAB COc1cccnc1N(C)C(=O)c1c(F)c(F)cc(F)c1F 95435486 ZQNDLRYBXVLKGQ-UHFFFAOYSA-N 314.238 2.923 0 40 DFAB Cc1nc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cs1 89709037 FSEZMOONHORTQM-SECBINFHSA-N 301.371 2.687 0 40 DFAB COc1cccc([C@@H](O)CNC(=O)C(C)(C)c2ccccc2)c1 89775513 XWTKQUGWYISOBM-KRWDZBQOSA-N 313.397 2.823 0 40 DFAB COC(=O)c1ccc(CSc2nnnn2C2CCCC2)cc1 11621661 FMNLGXDKQXGHNK-UHFFFAOYSA-N 318.402 2.867 0 40 DFAB O=C(O)CN(CCc1ccccc1)C(=O)c1ccc(F)cc1 178139122 LVJLEIBULNOZJO-UHFFFAOYSA-N 301.317 2.595 0 40 DFAB C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 48332869 SBDCVMPIXKCFBF-SJLPKXTDSA-N 300.446 2.952 0 40 DFAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(F)cc1 12820621 IAPUOAOGGAFINA-AWEZNQCLSA-N 304.321 2.501 0 40 DFAB COC(=O)/C=C/c1c(Br)cncc1Br 307568203 SNCDGPBABRSSSU-NSCUHMNNSA-N 320.968 2.793 0 40 DFAB CCCN(CC(F)(F)F)C(=O)c1cccc(NC(N)=O)c1 63851256 OKRQYVCYJXSFBA-UHFFFAOYSA-N 303.284 2.592 0 40 DFAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](CC(C)C)C(=O)O)n2C 4000253 JCKWIKHPPXXJPN-ZDUSSCGKSA-N 302.374 2.716 0 40 DFAB biogenic Cc1ccc(CN(C(=O)c2ccc(C(N)=O)s2)C2CC2)o1 65491806 AVOLUOIMAFWVDW-UHFFFAOYSA-N 304.371 2.553 0 40 DFAB O=c1oc(-c2ccccc2)nn1C[C@@H](O)c1ccc(F)c(F)c1 65595309 KUTBRJJQYKOEIC-CQSZACIVSA-N 318.279 2.515 0 40 DFAB CCc1ccc(-c2nc(C(=O)N3CCOCC3)cs2)cc1 14121630 GVGSNZBOOQPUDE-UHFFFAOYSA-N 302.399 2.845 0 40 DFAB Cc1ccccc1-n1cnnc1SCCOC[C@H]1CCCO1 96422168 YHNBZKRMRZWKLX-CQSZACIVSA-N 319.430 2.863 0 40 DFAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2nccs2)C1 71870764 WFAQGHYPFZVMBR-ZDUSSCGKSA-N 318.446 2.698 0 40 DFAB C[C@H](C(=O)N(C)CCc1ccncc1)N1CCc2ccccc2C1 71897948 JWODBYHESHKKHT-MRXNPFEDSA-N 323.440 2.529 0 40 DFAB CC(C)(C)c1csc(CNC(=O)c2ccc3[nH]nnc3c2)n1 71856450 OKHLVHFUMQXLDQ-UHFFFAOYSA-N 315.402 2.642 0 40 DFAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(C)=O 71844196 YVCFDRXKRMMPLN-IAGOWNOFSA-N 302.418 2.697 0 40 DFAB FC(F)(F)c1cc([C@H]2CCCN(CCn3cccn3)C2)n[nH]1 76060337 MTYFBYHMVXSVCX-NSHDSACASA-N 313.327 2.505 0 40 DFAB Cc1nn(C)cc1[C@H](C)NC(=O)NCCO[C@@H]1CCCC[C@@H]1C 69280965 CDUWIZNZUAUXNV-HEHGZKQESA-N 322.453 2.684 0 40 DFAB Cc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)cc1 8224228 FRUDBUNOLZAWRR-UHFFFAOYSA-N 321.384 2.904 0 40 DFAB Cc1nnc2sc(-c3cc(Cl)ccc3Cl)nn2c1=O 8394002 MUIKYZXNVIHQKQ-UHFFFAOYSA-N 313.169 2.828 0 40 DFAB CCn1ncc(S(=O)(=O)N2CCCc3cc(C)ccc32)c1C 17055043 UNPVUBGRBDPQNP-UHFFFAOYSA-N 319.430 2.661 0 40 DFAB Cc1nc(C)n(C[C@H]2CCCN2Cc2nc3ccccc3o2)n1 69493192 LEALUPHMSSUFCO-CQSZACIVSA-N 311.389 2.701 0 40 DFAB O=C(NCC[S@](=O)c1ccccc1)Nc1ccc(F)cc1F 69668359 XLWLRBXTZFOGNR-JOCHJYFZSA-N 324.352 2.894 0 40 DFAB O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cnc[nH]2)C1 92073344 OJRFTCPUOOJOPM-ZIAGYGMSSA-N 311.307 2.736 0 40 DFAB Cc1cnn(C[C@@H](C)NCc2nc(-c3ccco3)oc2C)c1 69875214 BROOWQQVMSOAGO-GFCCVEGCSA-N 300.362 2.926 0 40 DFAB Cc1oc(CN(C)C(=O)c2cccnc2Cl)cc1C(=O)O 97018427 DHCLHFXBLHPOMZ-UHFFFAOYSA-N 308.721 2.607 0 40 DFAB CCn1cc(CNc2nnc(Cc3cccc(F)c3)o2)cn1 97045447 NLIKHZKBMNXISW-UHFFFAOYSA-N 301.325 2.628 0 40 DFAB Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1 95953780 UVTUBZVUHSPCCJ-UHFFFAOYSA-N 317.364 2.783 0 40 DFAB CCOC(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 60385338 KSVUVOHRYYHUDD-UHFFFAOYSA-N 305.374 2.501 0 40 DFAB c1c[nH]c([C@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)n1 95971478 WFCBDQLTALBUMX-NSHDSACASA-N 315.402 2.901 0 40 DFAB C[C@@H]1CC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)[C@H](C)C1 97107942 VJRLXWZVJFTVHE-OAGGEKHMSA-N 324.465 2.650 0 40 DFAB O[C@@H](CN1CCC(c2cn[nH]c2)CC1)c1ccc(F)cc1F 97203435 SZBCAHPNWNDAQD-INIZCTEOSA-N 307.344 2.601 0 40 DFAB C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc2c(c1)OCCO2 84651788 QNRKODYSFBRMIM-LBPRGKRZSA-N 323.352 2.597 0 40 DFAB C[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccc(F)c1 84697764 GGUTYPOCOGHZGK-ACJLOTCBSA-N 318.392 2.748 0 40 DFAB Cc1cscc1C(=O)NC[C@H](CO)Cc1ccccc1F 95408008 JVBMTXSHDQMPIG-GFCCVEGCSA-N 307.390 2.777 0 40 DFAB CN(CC1CC1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 89340194 PKHARYBRHINYFP-CYBMUJFWSA-N 316.430 2.529 0 40 DFAB Cc1cscc1C(=O)Nc1ccc(N2CCOCC2)cn1 175879869 OUIXVTZNXXYJSB-UHFFFAOYSA-N 303.387 2.540 0 40 DFAB O=C1NCCN(C(=O)c2cccs2)[C@H]1c1ccccc1Cl 62689396 CTNJDZUXUFNPEI-ZDUSSCGKSA-N 320.801 2.715 0 40 DFAB O=S(=O)(NCc1ccc(OCc2ccccc2)cc1)C1CC1 173036067 COPGOHRWYPOWSZ-UHFFFAOYSA-N 317.410 2.847 0 40 DFAB O=C(/C=C/c1cccc(F)c1)N[C@H](Cc1ccccc1)C(=O)O 62715377 VFVFPEDHIMZYBM-ZNFPLGDCSA-N 313.328 2.651 0 40 DFAB NC(=O)Cc1ccccc1NC(=O)NCCC1=CCCCC1 45725672 YTKZPAIMWCIJJA-UHFFFAOYSA-N 301.390 2.726 0 40 DFAB Cc1cccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)c1 36611592 WXWGKRARSYPKDX-UHFFFAOYSA-N 318.384 2.982 0 40 DFAB COc1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)cc1O 408839032 LUMLZEQEVDEBBP-NTEUORMPSA-N 309.321 2.940 0 40 DFAB COc1ccc2c(ccn2CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 32102355 DJPMZRBXISOHDD-YCPHGPKFSA-N 310.397 2.978 0 40 DFAB Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1F 211131179 GXUFHOMVQHEKCG-UHFFFAOYSA-N 319.361 2.519 0 40 DFAB COC(=O)C(=O)c1cc2ccccc2n1C(=O)OC(C)(C)C 37625262 GEUMGQVONKRZRW-UHFFFAOYSA-N 303.314 2.780 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)CN1CCSC2(CCCCC2)C1 79503687 VNSDQXZKACUDST-UHFFFAOYSA-N 322.478 2.717 0 40 DFAB CCn1cc(C(=O)O[C@@H](c2ccccc2)c2nc(C)no2)cn1 79705184 DXJUOFDOOFBKBL-AWEZNQCLSA-N 312.329 2.541 0 40 DFAB COc1ccsc1C(=O)NC[C@@H](O)c1ccc(Cl)s1 75268382 GDGLSZMCAYQSHM-SSDOTTSWSA-N 317.819 2.935 0 40 DFAB Cc1c(Cl)cccc1-c1ccc(CNCCNC[C@H](C)O)o1 32541286 MMGJLGOEAIHWKJ-LBPRGKRZSA-N 322.836 2.968 0 40 DFAB Cc1ncsc1COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 78984943 KNRLWZRTYSICDF-LBPRGKRZSA-N 316.382 2.548 0 40 DFAB CCn1c(CN2CCO[C@@H]3CCC[C@@H]32)nc2cc(F)ccc21 79354393 KDXMFOZWTWFYRB-JKSUJKDBSA-N 303.381 2.949 0 40 DFAB COc1ccc(N(C)C(=O)Cc2ccc(OC)c(OC)c2)cc1 222940315 WLLHGVZQEYYDMY-UHFFFAOYSA-N 315.369 2.918 0 40 DFAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C 224643007 YKXRZWUQQDWQAM-LBPRGKRZSA-N 310.825 2.992 0 40 DFAB C[C@@H](CN(C(=O)[C@H]1CCc2cc(F)ccc21)C1CC1)C(=O)O 573387240 DLPOAZVNNNMSOM-BONVTDFDSA-N 305.349 2.567 0 40 DFAB C[S@@](=O)c1cccc(NC(=O)c2c(O)cc(F)cc2F)c1 81758365 ZLEMPFSJOSEDOK-NRFANRHFSA-N 311.309 2.660 0 40 DFAB CCOC(=O)[C@H]1CN(Cc2cccs2)Cc2ncn(CC)c21 96100433 YOZXYROEFBJIFW-ZDUSSCGKSA-N 319.430 2.627 0 40 DFAB CCS[C@H]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)C1 96451515 YDANWLHWVWJVKS-NEPJUHHUSA-N 311.451 2.531 0 40 DFAB COc1ccc([C@@H](O)Cn2nccc2-c2ccncc2)cc1F 95438830 CZDIAJKFMNSDCY-INIZCTEOSA-N 313.332 2.826 0 40 DFAB CC(=O)NCCc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1 92752418 YZCJPJYWDJTWMH-UONOGXRCSA-N 314.433 2.511 0 40 DFAB c1ccc(-n2ncc3c(N[C@H]4C[C@H]5CC[C@@H]4O5)ncnc32)cc1 96468219 OUFVUHRKTXUPRH-SNPRPXQTSA-N 307.357 2.547 0 40 DFAB c1cnc(N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)nc1 96106464 VRGSTVBLBFQFPG-MRXNPFEDSA-N 317.433 2.526 0 40 DFAB CC(C)(C)c1cc(NC(=O)NC[C@](C)(O)c2ccco2)no1 96434595 XBGVAJBYNZYKKZ-HNNXBMFYSA-N 307.350 2.594 0 40 DFAB CC(C)N(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1 96070055 SMTKTUOJBMWBQY-MSOLQXFVSA-N 316.449 2.539 0 40 DFAB Cc1nc(-c2ccccc2)nc2c1CCN(C[C@@H]1CCOC1)CC2 96254553 MSUXZCWEZQFBBI-INIZCTEOSA-N 323.440 2.889 0 40 DFAB O=S(=O)(Nc1nccnc1Cl)c1ccc(Cl)cc1 141696356 OEHBGBRXRBWXKD-UHFFFAOYSA-N 304.158 2.584 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1F 96229719 ZJOBUWPLAUAYJS-SFHVURJKSA-N 318.392 2.751 0 40 DFAB O=C(c1ccco1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046490 TYCXCCDSGSEGRU-UHFFFAOYSA-N 302.399 2.689 0 40 DFAB Cc1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)no1 96456454 OIUZKYNGVOYFST-INIZCTEOSA-N 314.385 2.847 0 40 DFAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1ccc(C)o1 96197855 NEJDVQTZWAHEGY-KRWDZBQOSA-N 315.417 2.940 0 40 DFAB C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1ccncc1 97370670 AZJCGXCFWUMEBC-SNVBAGLBSA-N 309.822 2.764 0 40 DFAB Nc1cc(CC[C@@H]2CN(Cc3ccsc3)CCO2)ccn1 257313232 URMUNDSPRABDNF-OAHLLOKOSA-N 303.431 2.559 0 40 DFAB CNc1cc([C@H]2CCCN2Cc2ncccc2F)nc(C)n1 257236437 HCESLXUGNYFJFJ-OAHLLOKOSA-N 301.369 2.698 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257264584 LVCVKCUYRSMSTQ-ZDUSSCGKSA-N 303.431 2.885 0 40 DFAB Cc1[nH]c2ccccc2c1CN1CC[C@H](O)[C@]2(CCCO2)C1 257266100 MBOXEDHUWGYOSG-ROUUACIJSA-N 300.402 2.592 0 40 DFAB O=C(O)c1nn(CC(F)F)cc1NCc1ccc(F)s1 256053137 QEFQUOJXDNRGQC-UHFFFAOYSA-N 305.281 2.659 0 40 DFAB C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)[C@H](c2ccccc2)CO1 608256912 QHLQHIYUVGQAOY-DYVFJYSZSA-N 323.396 2.956 0 40 DFAB Cc1cccc(OC[C@]2(O)CCCN(Cc3ccccn3)C2)c1 585269394 RRNMRUGXEAOZKP-IBGZPJMESA-N 312.413 2.796 0 40 DFAB COc1nc(C)ccc1C(=O)N1CCOC[C@H]1c1ccccc1 679032767 HQGKNBPQLRPUHT-INIZCTEOSA-N 312.369 2.612 0 40 DFAB COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc[nH]n2)[nH]n1 69416367 KMHJABABYQHRPO-UHFFFAOYSA-N 317.736 2.714 0 40 DFAB Cc1c(C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2C)cnn1C 71185644 KRMYTFBHOCFXDY-LBPRGKRZSA-N 323.400 2.714 0 40 DFAB Fc1cnc(OC2CCN(CCOc3ccccc3)CC2)nc1 1209300153 QCGVNEVFENWDDL-UHFFFAOYSA-N 317.364 2.538 0 40 DFAB Cc1cc([C@@H]2CCCN2Cn2nc(C)c3ccccc3c2=O)on1 44979282 KIGIUVSLLXSBPD-INIZCTEOSA-N 324.384 2.796 0 40 DFAB O=C(NC[C@H]1CCCO1)N1CC2(CC(c3ccccc3)C2)C1 1776000732 HOPQFBFRLZJGPY-MRXNPFEDSA-N 300.402 2.755 0 40 DFAB Cc1cccc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c1C 56670900 LWQJVVJPLJYUBI-OAHLLOKOSA-N 317.360 2.612 0 40 DFAB Cn1nccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 95978930 NCTDOAQGSURFAU-UHFFFAOYSA-N 319.336 2.767 0 40 DFAB CO[C@@H]1CCN(Cc2cn(C)cn2)C[C@H]1Cc1ccc(F)cc1 1615190503 FBYPRCLLLZEGEQ-CRAIPNDOSA-N 317.408 2.639 0 40 DFAB O=C(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 5626475 FIPDWVUCPPARNX-UHFFFAOYSA-N 311.385 2.604 0 40 DFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1Cc2ccccc2O1 13019266 KJWFIUCBCVPOIR-AWEZNQCLSA-N 319.263 2.950 0 40 DFAB CCNC(=S)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 13556103 CSXPMDLZKZSDFZ-GFCCVEGCSA-N 302.447 2.945 0 40 DFAB Cc1cc(NC(=O)[C@H]2COc3ccccc3O2)n(C(C)C)n1 13656944 BWQOGJAZSBAWCJ-CQSZACIVSA-N 301.346 2.551 0 40 DFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(N)=O 14013294 DBQMSNUDQFMBLR-MRXNPFEDSA-N 312.369 2.890 0 40 DFAB O=C(/C=C/c1cccs1)OCN1C(=O)c2ccccc2C1=O 8325798 NLMUGJDGMVCMBB-BQYQJAHWSA-N 313.334 2.558 0 40 DFAB O=C(COC(=O)c1cc2ccccc2s1)NCc1ccco1 6113078 XQFDOFCDVNTKNW-UHFFFAOYSA-N 315.350 2.968 0 40 DFAB CC(C)c1nsc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 1057868274 WBTIPRWDVBUPRN-UHFFFAOYSA-N 310.467 2.793 0 40 DFAB Cc1ccc(F)c(-n2ccn(CC3CCCC3)c(=O)c2=O)c1 1888876477 XFKAEYYKXOUSBA-UHFFFAOYSA-N 302.349 2.637 0 40 DFAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@H](O)C1(C)C 2037849881 BBVUIZFQYYYIBS-KRWDZBQOSA-N 322.493 2.793 0 40 DFAB FC(F)(F)c1cccc(N2CC(c3nnc4ccccn34)C2)n1 2298212735 SRASXKFGZTUMJA-UHFFFAOYSA-N 319.290 2.747 0 40 DFAB COc1cccc(Cc2cnc(NC(=O)[C@H]3CCCO3)s2)c1 21194882 JBOBUDNTXGEUCE-CQSZACIVSA-N 318.398 2.860 0 40 DFAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CCC(=O)NC(N)=O 32777585 HBKZFDJRHXDTAM-MRVPVSSYSA-N 318.204 2.571 0 40 DFAB O=C(Cc1cccc(F)c1)N[C@H]1CCN(Cc2ccccc2)C1 32732063 PLVWUGJFMUZLNE-SFHVURJKSA-N 312.388 2.759 0 40 DFAB O=C(Nc1ccc2c(c1)OCO2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102323500 PBGIJIBNYQIXND-SKLAPFLYSA-N 315.369 2.685 0 40 DFAB C[C@H](NC[C@H](c1ccco1)N(C)C)C(=O)NCC1CCCCC1 21762911 TXNHEXGSPGYYRI-GOEBONIOSA-N 321.465 2.557 0 40 DFAB Cc1nn(C)c(=O)c(C(=O)OCC2=CC[C@H]3C[C@H]2C3(C)C)c1C 102831660 WYHQARVUOSACLX-UONOGXRCSA-N 316.401 2.546 0 40 DFAB COC[C@H](C)NC(=O)c1cc(Br)ccc1Cl 22624390 FBFXSNNRJWQXRE-ZETCQYMHSA-N 306.587 2.867 0 40 DFAB O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1ccccc1 23437189 WMMMPNRREHXARO-MRXNPFEDSA-N 308.447 2.944 0 40 DFAB CNC(=O)[C@H]1CCCCN1Cc1cccn1Cc1cccs1 97032652 YIZVNXUUIXGFOL-MRXNPFEDSA-N 317.458 2.698 0 40 DFAB CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccsc1 55114745 FLEAGWSHDDWHLN-UHFFFAOYSA-N 302.399 2.527 0 40 DFAB CC[C@@](C)(NCC(=O)Nc1cc(C)on1)c1nc(C)cs1 78950590 SCPSZSAYQGUHFY-CQSZACIVSA-N 308.407 2.601 0 40 DFAB Cc1ccc(NC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 106180580 WIJURQZRSMTLGV-SNPRPXQTSA-N 301.390 2.645 0 40 DFAB CN(C)CC(CN(C)C)C(=O)c1ccc(Cl)c(Cl)c1 1576481 GXXFCPFWPBKLFG-UHFFFAOYSA-N 303.233 2.916 0 40 DFAB Cn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 79192012 VBPKMTIOEITBED-AWEZNQCLSA-N 300.402 2.795 0 40 DFAB biogenic C[C@H]1C(=O)N(C[C@@H](O)c2ccccc2)C(=O)N1c1ccccc1 22094922 WUPOWIVQLCHKME-XJKSGUPXSA-N 310.353 2.577 0 40 DFAB O=C(Nc1nc(C2CC2)cs1)C1CCN(C(=O)C2CC2)CC1 25559483 CZALMVNSCUHTAP-UHFFFAOYSA-N 319.430 2.608 0 40 DFAB COCCN(C(=O)C(C)C)c1nnc(-c2ccc(F)cc2)s1 4880337 WTVAXJKULOCQPQ-UHFFFAOYSA-N 323.393 2.980 0 40 DFAB CCC(=O)Nc1cccc(NCC(=O)N2CCCCC2)c1C 26793928 SERAFPAHWUVMPO-UHFFFAOYSA-N 303.406 2.768 0 40 DFAB CC(=O)NC[C@@H]1CCCN([C@H](C)CCc2cccc(F)c2)C1 108466941 MNBHNHRHTMOSGU-PBHICJAKSA-N 306.425 2.995 0 40 DFAB C[C@@H](C(=O)NC(C)(C)C)N1CCC(CCCn2ccnc2)CC1 96008647 WZLVHCAQESVMQC-HNNXBMFYSA-N 320.481 2.679 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)CCCn2cncn2)n1 72281803 IYGGFFBWZNGLPE-CYBMUJFWSA-N 319.434 2.577 0 40 DFAB C/C=C/C=C/C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 58280966 SCHPQYROLOLLQW-PRKJJMSOSA-N 314.429 2.908 0 40 DFAB COCCN(Cc1ccccn1)C(=O)c1cn(C)c2ccccc12 58266709 OTQBJKWUAJKJQQ-UHFFFAOYSA-N 323.396 2.862 0 40 DFAB COc1ccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cn1 58403522 XFFRAIOPGFSXTC-CABCVRRESA-N 300.333 2.996 0 40 DFAB C[C@H]1CN(Cc2cccc(NC(=O)c3ccc[nH]3)c2)C[C@H](C)O1 72291713 MONDCKSQYAWDTE-KBPBESRZSA-N 313.401 2.876 0 40 DFAB COc1ccc([C@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 2239578 ROJZXYZUZVVEND-OAHLLOKOSA-N 307.305 2.634 0 40 DFAB Cc1nn(C)cc1-c1nn2c(-c3cccc(F)c3)nnc2s1 36360577 XDWLVYCUVSYMSU-UHFFFAOYSA-N 314.349 2.701 0 40 DFAB Cc1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)nc1 36391096 VYXYOBNIYKLUQX-UHFFFAOYSA-N 322.368 2.935 0 40 DFAB Oc1cccc(CN2CCN(c3cnc4ccccc4n3)CC2)c1 60378003 IYRIZFAFGDCSTA-UHFFFAOYSA-N 320.396 2.658 0 40 DFAB O=c1cc(-c2ccccc2)[nH]c2nc(Cc3ccccc3)nn12 101644470 JCSWJRPKGNJAPV-UHFFFAOYSA-N 302.337 2.675 0 40 DFAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 3252256 KLHGNEZEZUMROU-RKDXNWHRSA-N 301.264 2.843 0 40 DFAB C[C@H](C(=O)NCCc1ccccc1)n1cc(Br)cn1 28305654 ODOYTFHUDFOCTJ-LLVKDONJSA-N 322.206 2.566 0 40 DFAB O=c1c2ccccc2nnn1Cc1cccc(C(F)(F)F)c1 3618159 MZQOPXLYRZAUTO-UHFFFAOYSA-N 305.259 2.859 0 40 DFAB C[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 62913435 QPBWINAJKVQDKK-AWEZNQCLSA-N 316.184 2.859 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)NC1(C(=O)O)CCCCC1 13168566 RSIKRWJSGRTFTL-UHFFFAOYSA-N 301.386 2.622 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)no1 4385248 OBAADJFAAKEXFP-SNVBAGLBSA-N 319.748 2.628 0 40 DFAB c1ccc2oc(CN3CCC(c4nnc5n4CCC5)CC3)nc2c1 65459523 FECDEFBVKAIXEN-UHFFFAOYSA-N 323.400 2.745 0 40 DFAB O=C1OCC[C@@H]1Sc1nnc(-c2cccs2)n1C1CC1 5357835 IDNFUEWPPYXOMI-JTQLQIEISA-N 307.400 2.749 0 40 DFAB CCOc1ncnc2c1CN(Cc1nc3ccccc3o1)CC2 97202356 ATNRKXVRUNNKRT-UHFFFAOYSA-N 310.357 2.575 0 40 DFAB O=C(Nc1nc(-c2cccnc2)cs1)c1n[nH]c2c1CCC2 95478365 DEOLXYFWAKSLAS-UHFFFAOYSA-N 311.370 2.669 0 40 DFAB COc1ccccc1CC(=O)OCC(=O)Nc1ccccc1C 7035169 GJRBGZPLLDGYTC-UHFFFAOYSA-N 313.353 2.728 0 40 DFAB O=C(NCCc1cccc(F)c1)c1cncc(Br)c1 7122943 JGHHTDMMHFHPPT-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB NC(=O)[C@H]1CCCN1CCCc1ccc(C(F)(F)F)cc1 96451991 DXNARGRDGCZKFA-CYBMUJFWSA-N 300.324 2.588 0 40 DFAB C[C@H](OC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1nccs1 80329994 RYQOZXQDKKNFCW-ZJUUUORDSA-N 318.354 2.916 0 40 DFAB O=C(N[C@H]1CCCc2occc21)c1cn(-c2ccccc2)nn1 84576697 CREMFZYBMPPQIJ-AWEZNQCLSA-N 308.341 2.668 0 40 DFAB COc1ccc(COC(=O)CNC(=O)C2CCCCC2)cc1F 7563233 TWMITJGDJIPMKK-UHFFFAOYSA-N 323.364 2.574 0 40 DFAB Cc1ccc(CN2C[C@H](C(=O)Nc3ncccc3C)CC2=O)cc1 15940822 OPKAVOUYQIMVQQ-MRXNPFEDSA-N 323.396 2.686 0 40 DFAB O=C(Oc1ccc2c(c1)OCO2)C1C[C@@H]2CCC[C@H](C1)C2=O 7658431 JKNFRXVTOXJAGV-FOSCPWQOSA-N 302.326 2.716 0 40 DFAB C[C@H]1C(=O)Nc2ccccc2N1C(=O)CSCC(F)(F)F 90631137 KKNODAAAUHQTHU-QMMMGPOBSA-N 318.320 2.656 0 40 DFAB O=C(NCCOc1ccc(F)c(F)c1)c1scnc1Cl 71882780 WHQQGVVMZOUONE-UHFFFAOYSA-N 318.732 2.884 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 71837523 FDQOSZQUCGULIJ-UHFFFAOYSA-N 321.354 2.584 0 40 DFAB CCc1nnc(NC(=O)/C=C/c2ccc(OC)c(F)c2)s1 7921389 ZGZMKILDSOMOEO-FNORWQNLSA-N 307.350 2.900 0 40 DFAB C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1 8217025 IAFSOXILVJRQPI-GFCCVEGCSA-N 321.332 2.956 0 40 DFAB CC[C@@H](CO)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 71913838 MVNPRKTUZQTUSM-JTQLQIEISA-N 312.295 2.740 0 40 DFAB CCC[C@@H](O)CNC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 71911804 LXAZCPZEMYSBIF-CQSZACIVSA-N 323.393 2.562 0 40 DFAB NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 17156519 XNHGYSDDNRBCRZ-UHFFFAOYSA-N 318.789 2.627 0 40 DFAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H]3Cn3cccn3)c12 69743899 HABSKSXYBOPDPR-INIZCTEOSA-N 322.412 2.907 0 40 DFAB Cc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c1 95377444 CADRVQPRFLSBGG-UHFFFAOYSA-N 321.354 2.508 0 40 DFAB COc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 9051667 ZHUCSRDWNWWOOM-JTQLQIEISA-N 312.325 2.667 0 40 DFAB Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@@]2(C)CCCS2)n1 84102210 FLKABHUOJOIWHS-MLGOLLRUSA-N 324.494 2.721 0 40 DFAB C[C@@](O)(CC(=O)NCCc1ccc(F)cc1F)c1ccccc1 97059292 VRWARCBHSCHSQN-GOSISDBHSA-N 319.351 2.921 0 40 DFAB COc1cccc([C@@H](C)Nc2cccc(NC(=O)CO)c2)c1 97038166 MLQSGNTVSPLCDM-GFCCVEGCSA-N 300.358 2.799 0 40 DFAB C[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1 85218933 SYEOLHIWLRIYNT-SSDOTTSWSA-N 320.133 2.588 0 40 DFAB CC1(C)CN(C(=O)c2ccc3ccccc3c2O)CC[S@@]1=O 88457251 KGKGAJYAJBIZCP-JOCHJYFZSA-N 317.410 2.529 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)O)cccc1[N+](=O)[O-] 95964686 AKGAXROBZLEVRC-STQMWFEESA-N 320.345 2.667 0 40 DFAB CC(C)CC1(CNC(=O)c2ccccc2Cn2cncn2)CC1 95965013 NJRWCLVZQTVGLK-UHFFFAOYSA-N 312.417 2.883 0 40 DFAB CC(C)OC(=O)CCCNC(=O)c1ccc(Br)o1 95943241 MSEXSFPUUROBCT-UHFFFAOYSA-N 318.167 2.504 0 40 DFAB O=C(Cc1ccn[nH]1)NCC1(c2ccccc2Cl)CCC1 95982051 SVGPQRZTKSPLPP-UHFFFAOYSA-N 303.793 2.844 0 40 DFAB CCn1c(C)cc(C(=O)NCc2ccc(-n3ccnc3)nc2)c1C 74330161 RLCIMKPHUREURC-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB CN1CC[C@@H](Nc2ccc3cccc(Br)c3n2)C1=O 89375030 WWAJKHPQVCSURE-LLVKDONJSA-N 320.190 2.640 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2CO)C1 89493357 VGQNCYFNAHGELZ-FMKPAKJESA-N 320.458 2.572 0 40 DFAB CCCN(Cc1ccon1)S(=O)(=O)c1ccc(Cl)cc1 75145333 FLNIBMGOEPRNEL-UHFFFAOYSA-N 314.794 2.929 0 40 DFAB O=C(NC1CCC(C(F)(F)F)CC1)N1CCOC[C@H]1C1CC1 89888989 NDFRYUOCDUQEGY-BPCQOVAHSA-N 320.355 2.928 0 40 DFAB C[C@H](Cc1ccccc1Br)NC(=O)c1ccon1 89904209 WVWQRRUJKQRPJK-SECBINFHSA-N 309.163 2.798 0 40 DFAB CCCc1nc(NC(=O)NCc2nccn2C)sc1CC 76082089 QOVJPRHZGSNQNO-UHFFFAOYSA-N 307.423 2.713 0 40 DFAB O=C1NC(=S)N/C1=C/c1c(Cl)cc(Cl)c(O)c1Cl 113830528 FFGQCLMCSMHLMR-LZCJLJQNSA-N 323.588 2.698 0 40 DFAB CCN(CC)CCNC(=O)COc1ccc(C(C)(C)C)cc1 32579635 QZYHKKAVYHFBJY-UHFFFAOYSA-N 306.450 2.821 0 40 DFAB CCCN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O 409241241 JRZQUUXYXQNYQJ-SOFGYWHQSA-N 315.192 2.813 0 40 DFAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 72228230 MVHMVQCVLYJDBR-LSDHHAIUSA-N 304.752 2.890 0 40 DFAB Cc1nn(-c2ccc(C(=O)NCc3cccnc3)cn2)c(C)c1C 62007252 OODHIKRPWIHUMU-UHFFFAOYSA-N 321.384 2.518 0 40 DFAB CCCOC(=O)c1cc(I)ccc1O 39951617 PDFGPBXCEASWLG-UHFFFAOYSA-N 306.099 2.564 0 40 DFAB CC[C@@H](NS(=O)(=O)CC)c1nc(C(F)(F)F)cs1 74975929 XXASEFITUCIJDE-ZCFIWIBFSA-N 302.343 2.552 0 40 DFAB CC(C)(C)OC(=O)CCCn1cnc2cc(F)c(F)cc2c1=O 186607892 MHFOQGWAPFPHSR-UHFFFAOYSA-N 324.327 2.797 0 40 DFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](CO)[C@@H]2c2ccccc2)cc1 218050835 MDTGOOGNARBNMV-ULQDDVLXSA-N 302.395 2.543 0 40 DFAB C[C@@H]1CCCN(c2nc(NCCCO)c3ccccc3n2)C1 41150324 ZADGPLDTNRMTFL-CYBMUJFWSA-N 300.406 2.660 0 40 DFAB CSCC[C@@H](C(=O)NCCc1ccc(O)cc1)n1cccc1 575443984 IVOJSYWNFRUUHT-INIZCTEOSA-N 318.442 2.847 0 40 DFAB CNC[C@@H](OB(c1ccccc1)c1ccccc1)c1ccccc1 195757182 KTSYHMWGYLJGJN-OAQYLSRUSA-N 315.225 2.770 0 40 DFAB OC1(c2csc(CN3CCC3)n2)CCN(C2CCCC2)CC1 225421655 NAAZMEWEQODSTC-UHFFFAOYSA-N 321.490 2.575 0 40 DFAB biogenic,in-vitro c1ncn2c1CN(CC1CCC1)C[C@H](COCC1CCC1)C2 96209751 JFDVVYYQMXNZJY-KRWDZBQOSA-N 303.450 2.932 0 40 DFAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1sccc1CC)CC2 95400589 IESXXSNZWXMFLQ-UONOGXRCSA-N 323.458 2.703 0 40 DFAB COc1ncc(C)cc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 96461753 UIWSFHGALZGDAA-ZDUSSCGKSA-N 315.377 2.881 0 40 DFAB CCN1CCO[C@]2(CCC[C@H]2COCc2csc(C)n2)C1 96160008 LEJLAUAMXWXXJR-GOEBONIOSA-N 310.463 2.859 0 40 DFAB c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)ccn1 96057010 DUKHZAFUFCEBLM-RBUKOAKNSA-N 316.445 2.879 0 40 DFAB CCOc1cncc(N2CCC([C@H](O)c3ccccc3)CC2)n1 96480579 HJTGODLYYGBUSF-GOSISDBHSA-N 313.401 2.825 0 40 DFAB O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1[C@H]2CC[C@H]1CC(O)C2 249490028 ZGHNNPGSKZNLGL-GVXVVHGQSA-N 320.355 2.805 0 40 DFAB c1cnc(N2CCC3(CC[C@@H](Cc4cccnc4)OC3)CC2)nc1 257328223 XESJWAWYRKKKGR-KRWDZBQOSA-N 324.428 2.880 0 40 DFAB O=C(CCCn1ccnc1)N1CCC[C@@H](Cc2ccccn2)C1 257213546 CIAQPSKJPRLRFD-INIZCTEOSA-N 312.417 2.540 0 40 DFAB O=C(Nc1nc(C(=O)NCc2ccco2)co1)c1ccsc1 85554943 LGDCHDJLNOIPSQ-UHFFFAOYSA-N 317.326 2.511 0 40 DFAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cccs3)C2)n1 257311206 UIJZXOPJMWUENV-CYBMUJFWSA-N 301.415 2.850 0 40 DFAB CO[C@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1ccc(F)cc1 585276705 CUCBWNNZOVXBOE-PBHICJAKSA-N 303.381 2.628 0 40 DFAB CC1(C)CC[C@H]2CN(C(=O)c3cccc(O)n3)CC[C@@]2(C)O1 585284755 HJUMUNMBBLJEOS-YVEFUNNKSA-N 304.390 2.597 0 40 DFAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](n2ccnc2)C1 69662329 IALPMGUDNQCXQU-WBVHZDCISA-N 313.401 2.652 0 40 DFAB CC(C)c1ocnc1C(=O)N1CCC(NC2CCCC2)CC1 71915001 DJPPGXHESOQDSU-UHFFFAOYSA-N 305.422 2.935 0 40 DFAB COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 5966742 XJZOLKDBHJPTAT-ATNYCFDYSA-N 313.397 2.504 0 40 DFAB biogenic,in-vitro C[C@H](Oc1ccc(/C=C2/SC(=S)N=C2O)cc1)C(=O)O 16905198 HQNPFRQQMYKSJB-FSEMZKDTSA-N 309.368 2.868 0 40 DFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 205725010 DBPVXCPBPGWXGM-XYOKQWHBSA-N 305.355 2.675 0 40 DFAB C[C@@H](c1ccccn1)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 155006360 HKVMIERMFGEMGA-HNNXBMFYSA-N 321.428 2.837 0 40 DFAB CCc1ccc(NC(=O)C[C@H](C(=O)O)N2CCCCC2)cc1 5257701 SSQCHFUHXOKCFP-OAHLLOKOSA-N 304.390 2.517 0 40 DFAB CCC(=O)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1 11203885 TXIZCBRSYBCAIV-UHFFFAOYSA-N 308.337 2.866 0 40 DFAB c1ccc(OCCN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)cc1 1888857156 XEINARNYFOUBIP-AEFFLSMTSA-N 309.413 2.671 0 40 DFAB Cc1cc(CNc2ccc(S(=O)(=O)N(C)C(C)C)cc2)no1 25252154 ZKUNTQDQOWRRQN-UHFFFAOYSA-N 323.418 2.624 0 40 DFAB C[C@@H]1Cn2c(nc3sc4c(c3c2=O)CC(C)(C)OC4)S1 523396 YYOBUGYTYVXISZ-SSDOTTSWSA-N 308.428 2.804 0 40 DFAB CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)c1 127126 WOZUBRQXYRWKMP-OAHLLOKOSA-N 318.373 2.665 0 40 DFAB CCc1ccc([C@@H]2c3c(n[nH]c3C)C[C@](C)(O)[C@@H]2C(C)=O)cc1 5129930 AURQONAMLKFZDJ-QRVBRYPASA-N 312.413 2.925 0 40 DFAB CCOc1ccc(CC(=O)Nc2ccc(SC)nn2)cc1 11791970 OHNURBIUOUINOX-UHFFFAOYSA-N 303.387 2.778 0 40 DFAB CN(C)C(=O)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 13715377 SWFQBSOKZOBGOV-UHFFFAOYSA-N 314.360 2.638 0 40 DFAB O[C@@H](CCNc1ncc(Br)cn1)c1ccsc1 1775970011 XDFQQWXWGNBBHY-JTQLQIEISA-N 314.208 2.836 0 40 DFAB O=C(NCc1ccccc1CO)c1nc(Cl)ccc1Cl 50003136 ZETYCVZVTUGMCH-UHFFFAOYSA-N 311.168 2.811 0 40 DFAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1csc(-c2ccco2)n1 40108199 XFHCDYGPJHFCND-WCQYABFASA-N 317.414 2.760 0 40 DFAB CC(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 40512544 DDYIDZNAHSRILO-HUUCEWRRSA-N 304.434 2.568 0 40 DFAB O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)cn2)CC1 32150765 HMMXRWFIOPFDOI-UHFFFAOYSA-N 321.730 2.630 0 40 DFAB CC(C)c1nnc(NC(=O)CSc2ncc3ccccn23)o1 32327214 BBUFPVAFPVGRKF-UHFFFAOYSA-N 317.374 2.572 0 40 DFAB CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)Cn1cccn1 52071015 BZBYYSQODACLEA-AWEZNQCLSA-N 314.216 2.683 0 40 DFAB COc1ccc(CC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 32760819 YOIUWCCQHPVONM-INIZCTEOSA-N 319.788 2.741 0 40 DFAB Cc1noc(COC(=O)c2sc(-c3ccccn3)nc2C)n1 32905014 UQGMQTMJFPTYEP-UHFFFAOYSA-N 316.342 2.562 0 40 DFAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(-n2cnnn2)c1 33235383 ZYBBKLMIMQXAMS-LLVKDONJSA-N 313.386 2.557 0 40 DFAB CCSc1nnc(NC(=O)c2cccnc2Cl)s1 996524 QTURIKLYKRDXFN-UHFFFAOYSA-N 300.796 2.951 0 40 DFAB Cc1cc(C(=O)COC(=O)c2cnc3ccccc3n2)c(C)[nH]1 23463109 MIHYLSJJWIBNAT-UHFFFAOYSA-N 309.325 2.614 0 40 DFAB CCOC(=O)c1ccccc1NCN1C(=O)c2ccccc2C1=O 44284 BKXQZFLFWAZBJX-UHFFFAOYSA-N 324.336 2.529 0 40 DFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCCCCC3)ccc12 249862 BIRWGYJGASEFTG-UHFFFAOYSA-N 315.369 2.883 0 40 DFAB COc1ccc(Cl)cc1CC(=O)OCC(=O)c1ccc[nH]1 24220566 QNDGNBNNYOFOED-UHFFFAOYSA-N 307.733 2.645 0 40 DFAB CC(C)NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 96009417 XGHNGDAEAJYFHR-AWEZNQCLSA-N 313.405 2.769 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC1CCN(C)CC1 47886456 JVFHTPHBOYMQRC-OAHLLOKOSA-N 319.449 2.995 0 40 DFAB Cc1nn(C)c(Cl)c1COC(=O)[C@H]1C[C@H]1c1cccnc1 78877135 CIMVLSFCWBZPOA-RYUDHWBXSA-N 305.765 2.624 0 40 DFAB COCCn1ccc2c(C(=O)NCCc3ccco3)cccc21 79476978 VDRWPCBPMPIBAC-UHFFFAOYSA-N 312.369 2.853 0 40 DFAB NC(=O)C[C@@H](CNC(=O)OCc1ccccc1)c1ccccc1 2051726 RQALTOSCYUPQDU-INIZCTEOSA-N 312.369 2.572 0 40 DFAB Cc1cnc(C(=O)N2CCN(CC3CC3)c3ccccc32)cn1 73304141 AYBZBHVVYCQSMI-UHFFFAOYSA-N 308.385 2.662 0 40 DFAB COc1ccc([C@@H](CC(=O)N2CCCC[C@H]2C)NC(C)=O)cc1 25441186 HIGNVFVUKYKRQS-CXAGYDPISA-N 318.417 2.664 0 40 DFAB CN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 6949669 FEUJTLRAHITPRN-UKTHLTGXSA-N 301.733 2.653 0 40 DFAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCCCCCC1 7486708 BIERGZNJXKRSSD-CQSZACIVSA-N 309.454 2.800 0 40 DFAB O=C(COc1cccnc1Br)NCc1ccccc1 34925446 HHEHPUXMWUHWRM-UHFFFAOYSA-N 321.174 2.539 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C 25754633 PYFWJFIQKISBDZ-HOTGVXAUSA-N 320.477 2.988 0 40 DFAB CSc1cc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccn1 108382216 KNPPYMHGDLRRMB-GXTWGEPZSA-N 320.462 2.752 0 40 DFAB Cc1nc(C(C)(C)C)sc1C(=O)N1CC(n2cccn2)C1 57799777 WYZVZQRCMCMSIY-UHFFFAOYSA-N 304.419 2.643 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)cc1 101276004 PRVUJSMESFAGEO-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccco2)c1)n1cccn1 27127311 OWTVPIZVZQHJMW-LBPRGKRZSA-N 324.340 2.928 0 40 DFAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 54528461 TYZXPCPFTUVIDB-LBPRGKRZSA-N 321.377 2.532 0 40 DFAB CCOc1ccccc1C(=O)NC[C@H]1CCCN(C(C)C)C1 58196159 OPTZYODUXNDKHC-OAHLLOKOSA-N 304.434 2.936 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N2CCc3ccccc32)c1 9300079 VTQDISSRWJCOOU-UHFFFAOYSA-N 308.381 2.704 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1c(F)cccc1F 58266088 INZNGUUNSOYRJR-LLVKDONJSA-N 307.300 2.593 0 40 DFAB Cc1csc(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 44952973 DSAXMDAMSCISDY-AAEUAGOBSA-N 311.451 2.846 0 40 DFAB Cc1ccsc1CNC(=O)NCc1cccnc1N(C)C 44954730 KICUBDDKOVMCKM-UHFFFAOYSA-N 304.419 2.517 0 40 DFAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCO)Cc1cccnc1 95977784 ZTZCPDVOOAAMKF-HUUCEWRRSA-N 316.426 2.576 0 40 DFAB CCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 2177952 PDLXHPUBIREZCV-UHFFFAOYSA-N 322.449 2.878 0 40 DFAB C[C@H](O)CNc1nc2ccccc2n1Cc1ccc(Cl)cn1 95944876 WMJVERBBNSYCFH-NSHDSACASA-N 316.792 2.926 0 40 DFAB Cc1ccc(-c2nnc(SCCN3CCCCC3)n2N)cc1 36646232 YUGYPASHJMCPQG-UHFFFAOYSA-N 317.462 2.545 0 40 DFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccco1 100141235 GOVCEZVNMMGCAT-DGCLKSJQSA-N 308.341 2.533 0 40 DFAB O=C(NC1=NC(=O)[C@](F)(C(F)(F)F)S1)Nc1ccccc1 2484101 QHPWCCWCELKANZ-SNVBAGLBSA-N 321.255 2.666 0 40 DFAB CCc1ccc(NC(=O)CSc2nnnn2CC(C)C)cc1 29593527 UHJIOKSMLPIKGP-UHFFFAOYSA-N 319.434 2.622 0 40 DFAB CCOC(=O)c1cnc(C)nc1Nc1ccc(NC(C)=O)cc1 11907822 ILRRCFPSHVMXGJ-UHFFFAOYSA-N 314.345 2.664 0 40 DFAB Cc1cnc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)s1 11987269 ARIRYWILRHYMBU-JTQLQIEISA-N 303.387 2.599 0 40 DFAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@H]1c1cccs1 47029086 NWTMTBKQVHFWLM-STQMWFEESA-N 304.419 2.880 0 40 DFAB OCCn1ncc2c1CCC[C@@H]2Nc1nc2ccccc2s1 48234250 QEEJTHMQUXLEGB-LBPRGKRZSA-N 314.414 2.975 0 40 DFAB CC(C)CO[C@H](C)C(=O)NCc1ccccc1Cn1ccnc1 48368733 XGBBYYHKBCRQFK-OAHLLOKOSA-N 315.417 2.609 0 40 DFAB Cc1nc(C)c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)s1 48344783 OQGNXBXIGAUSGX-OAHLLOKOSA-N 315.442 2.889 0 40 DFAB CCC(C)(C)NCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 12909141 QGAQPRIEXZMLHY-UHFFFAOYSA-N 306.406 2.969 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]c2ccccc12 3819947 WWEQTPOWISSFHS-UHFFFAOYSA-N 322.368 2.652 0 40 DFAB COC(=O)CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4029408 YEJYJMJSSKKYGP-LSDHHAIUSA-N 311.422 2.528 0 40 DFAB biogenic CCN(CC)c1ccc(C(=O)Nn2cnc3ccccc32)c(O)c1 65042256 BYXWMCUDJALHFF-UHFFFAOYSA-N 324.384 2.972 0 40 DFAB COc1ccc(-c2c(C)nc3nc(C(F)(F)F)nn3c2N)cc1 13731911 PGUAHPVOYKRRDM-UHFFFAOYSA-N 323.278 2.709 0 40 DFAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1CC1 5112355 VTNKGSIMVDQJLY-QMMMGPOBSA-N 301.264 2.529 0 40 DFAB COCc1noc([C@H]2CCCCN2C(=O)Cc2ccsc2)n1 65286414 MFPUGCGXQHDHHR-GFCCVEGCSA-N 321.402 2.574 0 40 DFAB Cc1nc2n(c1C)CCN(Cc1nc(-c3cccs3)no1)C2 65464679 NIJVRGCXURVVAS-UHFFFAOYSA-N 315.402 2.627 0 40 DFAB CC(C)(C)c1cc(NC(=O)C(=O)NCCC2=CCCCC2)no1 65594075 WKQSRNKIXCOYFC-UHFFFAOYSA-N 319.405 2.917 0 40 DFAB Cc1cc(C)c(NC(=O)NCC(=O)N2CCCC2)c(Cl)c1 65607380 XVWGROMYHAKGBR-UHFFFAOYSA-N 309.797 2.701 0 40 DFAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1 14201173 ATTATPNXUUJVLD-DOMZBBRYSA-N 304.390 2.606 0 40 DFAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(N)=O 4601926 SQLGMLOLZAFMOV-LLVKDONJSA-N 312.369 2.534 0 40 DFAB CC[C@H]1CN(C(=O)NC2CCN(CC(C)C)CC2)CCS1 96439165 KEWRMFVQEHDURN-HNNXBMFYSA-N 313.511 2.644 0 40 DFAB Cc1nc(N2CCCC2)ccc1NC(=O)N1CCO[C@H](C)[C@@H]1C 96499579 VQFPENABWYHLPZ-UONOGXRCSA-N 318.421 2.631 0 40 DFAB CCCOc1ccc(C(=O)OC)cc1I 39951776 ILSKWROLJWUPQQ-UHFFFAOYSA-N 320.126 2.867 0 40 DFAB NC(=O)[C@H](c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 71828119 MKAQAXGIZATXHO-OALUTQOASA-N 324.424 2.659 0 40 DFAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccc[nH]2)n1 71818779 HKNHTNGTSNMXKC-CYBMUJFWSA-N 302.378 2.817 0 40 DFAB CCN(C(=O)c1ccc(C)nc1)[C@H]1CCN(c2ccccc2)C1=O 71890965 PUVFZAJYEVUAPN-KRWDZBQOSA-N 323.396 2.658 0 40 DFAB O=C(Nc1cccc2cccnc12)[C@H]1CC(=O)N(C2CCCC2)C1 7737629 VWEXYHRSBWXLEO-AWEZNQCLSA-N 323.396 2.964 0 40 DFAB CN(Cc1ccc(O)cc1)C(=O)CSc1ccc(O)cc1 83862571 QYNVYIPSMARBRU-UHFFFAOYSA-N 303.383 2.849 0 40 DFAB CCCCCc1nnc(NC(=O)c2nccn3ccnc23)s1 71921251 GVNKCESGQNDXSO-UHFFFAOYSA-N 316.390 2.566 0 40 DFAB CSc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1 8024170 ZFVJAIGAAMODKQ-UHFFFAOYSA-N 314.410 2.706 0 40 DFAB CCn1c(S[C@H]2C[C@H](C)OC2=O)nnc1-c1cccs1 8185394 CQJSLYBBCXEBJW-WPRPVWTQSA-N 309.416 2.823 0 40 DFAB Cc1cc(NC(=O)c2c[nH]nc2-c2ccccc2)ccc1C(N)=O 70017964 ASBGTMVUXCGHOA-UHFFFAOYSA-N 320.352 2.736 0 40 DFAB O=C(NO[C@@H]1CCCCO1)c1c[nH]nc1-c1ccc(Cl)cc1 69492427 FICAFPKMQQZYLJ-CYBMUJFWSA-N 321.764 2.918 0 40 DFAB O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCC(O)CC1 96764819 JMOMPVHYPJBFLM-UHFFFAOYSA-N 309.793 2.723 0 40 DFAB Cc1cccc(C[C@H](CNC(=O)c2cc(C)oc2C)C(=O)O)c1 97018797 KMSMTSFKCLVDGI-OAHLLOKOSA-N 315.369 2.878 0 40 DFAB O=C(Nc1cnn(-c2ccccn2)c1)c1ccc(O)c(Cl)c1 72292567 RJQRBBBVBFBALI-UHFFFAOYSA-N 314.732 2.879 0 40 DFAB CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2coc3ccccc23)C1 72314142 ZLOULPVJDASMRJ-WDEREUQCSA-N 308.355 2.555 0 40 DFAB C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(C)(C)CN(C)C 72306044 CHZFRTRCULJJPT-LBPRGKRZSA-N 321.421 2.556 0 40 DFAB C[S@@](=O)c1ccc(NC(=O)Cc2ccc(O)cc2Cl)cc1 97236728 VVBNXPJPNZLQPO-NRFANRHFSA-N 323.801 2.964 0 40 DFAB Cn1cnnc1-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 95381732 ZCVWIXDQWXDALR-KBPBESRZSA-N 308.341 2.817 0 40 DFAB CCN(C)c1ccc(C(=O)OCc2ncnn2CC(C)C)cc1 95467933 RGWHERHCJWQKCQ-UHFFFAOYSA-N 316.405 2.747 0 40 DFAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 95400003 PGLHTOZJZNRTIQ-IRXDYDNUSA-N 324.380 2.601 0 40 DFAB CSC[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 89570485 BJYDAPCEYSQGAY-SNVBAGLBSA-N 321.414 2.647 0 40 DFAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)Cc1ccc(O)cc1 89522753 UPHNFKDJWZVDOF-LLVKDONJSA-N 301.390 2.569 0 40 DFAB O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCCC1 75148823 LIRIFDQJAJFHKP-UHFFFAOYSA-N 321.423 2.817 0 40 DFAB O=C(Nc1ccc(F)cc1OC(F)F)NC1CCC(O)CC1 76082047 GIPHVUONJWGNMW-UHFFFAOYSA-N 318.295 2.852 0 40 DFAB C[C@@H](O)CN(Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 555377716 SPCGBWJSGLYCHB-DNVCBOLYSA-N 317.404 2.612 0 40 DFAB O=C1CC[C@H](C(=O)NC2CCC(C(F)F)CC2)n2cccc21 556730836 QQPDTNMNSQYUPN-GCZXYKMCSA-N 310.344 2.946 0 40 DFAB CCc1oc2ccccc2c1CC(=O)N1CC[C@@H](c2nc[nH]n2)C1 529505788 OEGMUMRDQVIFDH-GFCCVEGCSA-N 324.384 2.672 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)C1CCC1)N1CCCC1 22679827 TZHMWKDKFIOAHH-MRXNPFEDSA-N 302.418 2.748 0 40 DFAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)c1 72368481 YJHUOPXINLKEJY-OAHLLOKOSA-N 313.401 2.660 0 40 DFAB CCOC1(C)CCN(c2cc(C(C)C)nc3ncnn23)CC1 566890998 YPXGUPKIMBHWCE-UHFFFAOYSA-N 303.410 2.643 0 40 DFAB COc1ccc(C(=O)NC2=NCCCN2c2ccccc2)cc1 35682649 XMHUAIYJNXBQMM-UHFFFAOYSA-N 309.369 2.691 0 40 DFAB COC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 79051441 OKMGCZGHMGPHQN-CHWSQXEVSA-N 311.809 2.992 0 40 DFAB Cc1cc(CN[C@@H](C)Cn2cncn2)ccc1Br 72737812 DYUVOGWBELZHAA-NSHDSACASA-N 309.211 2.527 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)SCc2noc(C(C)(C)C)n2)on1 78555736 WPOBBSRYZIYSIC-SECBINFHSA-N 324.406 2.924 0 40 DFAB CC(C)(C)SCCOC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 79037339 YGMQUUMILJNQRH-ZDUSSCGKSA-N 313.463 2.710 0 40 DFAB COc1c(C)cc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1C 44444044 VCWOEAMPBRDLCX-CYBMUJFWSA-N 323.414 2.815 0 40 DFAB CCn1nc(C)c(NC(=O)CCn2ncc3ccccc32)c1C 40757985 FYPVKSWYKVAWES-UHFFFAOYSA-N 311.389 2.898 0 40 DFAB C[C@@H]1CN(C(=O)CSc2nnc(S)s2)C(C)(C)C1 81965145 GXBMFKFKZBKEPH-ZETCQYMHSA-N 303.478 2.566 0 40 DFAB CCN(CC(C)(C)O)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 135922676 NSCRHRZCBKZAIH-LBPRGKRZSA-N 324.469 2.810 0 40 DFAB S=C(NCc1nc(-c2ccccc2)no1)Nc1cccnc1 225814164 KTQXWFTWPNOCPH-UHFFFAOYSA-N 311.370 2.618 0 40 DFAB COC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 225629362 LJKPXUBFXFLGCL-UHFFFAOYSA-N 301.386 2.591 0 40 DFAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC 223149288 YWZUWRTUOKOHPF-CQSZACIVSA-N 310.825 2.993 0 40 DFAB S=C(NC[C@@H]1CCCO1)Nc1nccc(-c2cccs2)n1 225185447 VRIODEWNLARTMD-JTQLQIEISA-N 320.443 2.671 0 40 DFAB COc1cc(CNC=O)cc(Br)c1OCC(C)C 85207974 CNXMBYLSDHVVLP-UHFFFAOYSA-N 316.195 2.739 0 40 DFAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cccs3)C2)n1 96057619 PDDGOLUNOSVONN-IACUBPJLSA-N 305.403 2.587 0 40 DFAB COCc1nc(CNc2ccc(-c3nc(C)n[nH]3)cc2)cs1 92415332 CXZBVPTVZSDGLC-UHFFFAOYSA-N 315.402 2.995 0 40 DFAB CCc1cnccc1C(=O)N1CCC(Nc2cccnc2)CC1 97231101 RITKSJBDBVBIOT-UHFFFAOYSA-N 310.401 2.756 0 40 DFAB COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc2ccccc12 96408072 NOEJHHWAQASEBR-UHFFFAOYSA-N 309.325 2.910 0 40 DFAB CCS[C@H]1CC[C@@]1(O)CNC(=O)C(C)(C)c1ccccc1 96450743 YFNCDRITGMVUEQ-WMLDXEAASA-N 307.459 2.727 0 40 DFAB Fc1ccc2c(c1)OCCC[C@@H]2NCCOC[C@H]1CCCO1 97238001 HSADIYVNLHCEND-ZBFHGGJFSA-N 309.381 2.825 0 40 DFAB O[C@H](CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C1CC1 96408666 JOXSUIZSLZZQJN-LLVKDONJSA-N 324.306 2.740 0 40 DFAB CC(C)c1cc(C(=O)NC2CC2)nc(N2CCCCCC2)n1 96192026 KFFGDMJJUPTKMA-UHFFFAOYSA-N 302.422 2.873 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 97095224 PQIIXFRJWCGKTL-JTQLQIEISA-N 307.781 2.533 0 40 DFAB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCS(C)(=O)=O 96447087 QKPDKYALGOPUSM-VXGBXAGGSA-N 303.855 2.808 0 40 DFAB Cn1cc([C@@H]2COC3(CCN(Cc4ccoc4)CC3)C2)cn1 96047789 LDJNNGIFIDMFAW-HNNXBMFYSA-N 301.390 2.552 0 40 DFAB Oc1c(I)nnc2ccc(Cl)cc12 95097480 JGDOUDPCVVVNLF-UHFFFAOYSA-N 306.490 2.593 0 40 DFAB OC[C@H](CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)Cc1ccccn1 245339274 RQFIZQYPXNZHJP-SFGZTYNLSA-N 300.446 2.647 0 40 DFAB O=C(CCc1nc(O)c2ccccc2n1)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 257199490 PTAQDLFYHDXUPP-MJBXVCDLSA-N 323.396 2.596 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1CCCNC1=O 65614717 QKJSISMTVGSZFN-CYBMUJFWSA-N 323.824 2.865 0 40 DFAB C[C@@H](NC(=O)Nc1nccs1)c1ccc2c(c1)CCC(=O)N2 44971135 FYBJIOVBRDYSMG-SECBINFHSA-N 316.386 2.911 0 40 DFAB O=C(C1CC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 52585015 RHKDGPIGMNBDTK-UHFFFAOYSA-N 312.335 2.760 0 40 DFAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccncc1)C1CC1 37978469 FWUSLOQXSRTUPU-UHFFFAOYSA-N 306.362 2.574 0 40 DFAB CC(=O)NC(C)(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1 72547035 OPODAWIJCVGRLV-UHFFFAOYSA-N 314.267 2.522 0 40 DFAB O=C(NC1CC1)[C@H]1CCCN(CCc2ccccc2Cl)C1 84504575 RDQLLCKCRNRNRX-AWEZNQCLSA-N 306.837 2.873 0 40 DFAB CC(C)COC[C@H](NC(=O)c1cn2c(n1)CCC2)c1ccco1 517150592 ROTPQZVTRJGHLH-AWEZNQCLSA-N 317.389 2.566 0 40 DFAB CC(C)(C)OC(=O)NCC1(NCC2=CCCOC2)CCCC1 96482626 RYYPHQAQKLHXAK-UHFFFAOYSA-N 310.438 2.760 0 40 DFAB COc1ccc(Br)cc1/C=C1/SC(=O)NC1=O 975806 CARJWQVNDVTOHG-WEVVVXLNSA-N 314.160 2.782 0 40 DFAB CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(C)C3)c(C)c2c1 12195162 IHZZYQICIUPKPZ-CYBMUJFWSA-N 315.417 2.699 0 40 DFAB Cc1c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cnn1C 13297603 HXQSVRWUPXPDBQ-NSHDSACASA-N 311.341 2.638 0 40 DFAB COc1ccc(C(=O)Nc2nn3c(C(C)C)nnc3s2)cc1 15674547 MSRJHJROWPXZCO-UHFFFAOYSA-N 317.374 2.570 0 40 DFAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 16028739 CWWHZJIHNISSSE-INIZCTEOSA-N 308.381 2.982 0 40 DFAB CC(C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 17172630 HDBKATMSRRXNIW-UHFFFAOYSA-N 305.353 2.971 0 40 DFAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)COC1CCCCC1 10434239 CXKSGCHNOOWHFK-OAHLLOKOSA-N 313.482 2.711 0 40 DFAB C[C@H](NC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1 4825157 CDYPJBQJXUGCQO-LBPRGKRZSA-N 323.352 2.597 0 40 DFAB O=C(C1CC1)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888860412 AMOALUCWUJJYOM-AWEZNQCLSA-N 323.396 2.781 0 40 DFAB Cc1cc(OC2CN(C(=O)Cc3ccc(Cl)cc3)C2)ccn1 1889175230 JFSUQLLYPWMGJC-UHFFFAOYSA-N 316.788 2.876 0 40 DFAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)C 13669479 XSUFVSOZJVPCJY-LLVKDONJSA-N 300.855 2.889 0 40 DFAB CCOC(=O)c1ccsc1NC(=O)c1cc(C)nn1CC 13699692 ATDRZFCKZYFXPA-UHFFFAOYSA-N 307.375 2.702 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)Nc1cccc(F)c1 13707987 HAIKIRWOVKSLPY-UHFFFAOYSA-N 318.333 2.848 0 40 DFAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(Cl)c1)C2 2055771684 QSGPATLHXBJSIC-WBVHZDCISA-N 323.820 2.998 0 40 DFAB CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2COC3)cc1 101467118 VDNOKFRIEWXYSM-KBPBESRZSA-N 309.431 2.536 0 40 DFAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccco1 30276599 ZBPKVJNGZQAYRZ-GFCCVEGCSA-N 324.388 2.983 0 40 DFAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cccs1)N2 30540271 KVUNPGMWCBRKRA-CQSZACIVSA-N 304.371 2.962 0 40 DFAB COc1ccccc1C(=O)Nc1ccc(NC(C)(C)CO)nc1 20382004 HUOFIJUNWHQBMK-UHFFFAOYSA-N 315.373 2.525 0 40 DFAB O=C1C[C@H](Cc2ccc(NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)C(=O)N1 101734600 UYJCAIDPDRMTSA-YHUYYLMFSA-N 310.397 2.516 0 40 DFAB CC(C)N(C(=O)Cn1nnc(-c2ccco2)n1)C1CCCCC1 32769862 XFPXPZGDPCKSOG-UHFFFAOYSA-N 317.393 2.503 0 40 DFAB OCCNc1nc(NCCc2ccccc2)c2ccccc2n1 41153319 YFFLLQARDKKCGG-UHFFFAOYSA-N 308.385 2.689 0 40 DFAB Cc1cc(C(=O)N(C)Cc2ccc(O)cc2)c2c(C)noc2n1 52963254 GNVMFULSRFBMKJ-UHFFFAOYSA-N 311.341 2.817 0 40 DFAB CNC(=O)[C@H]1CCCCN1C(=O)c1oc2c(F)cccc2c1C 33211993 MWSRMUPQAPGYCQ-CYBMUJFWSA-N 318.348 2.621 0 40 DFAB COC(=O)[C@@H](C)Oc1ccc(C(=O)NCc2ccccc2)cc1 145855 NZBMIXIFJDWTLM-CYBMUJFWSA-N 313.353 2.557 0 40 DFAB O=C(Nc1ccc2nsnc2c1)c1ccc2nsnc2c1 208090 RVKYXMBXFOEKHX-UHFFFAOYSA-N 313.367 2.948 0 40 DFAB CCOC(=O)N1CCN(c2ncnc3sc(C)c(C)c23)CC1 223277 QYLYLLGHZJHDAQ-UHFFFAOYSA-N 320.418 2.587 0 40 DFAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC 249141 VVPQLKNZJPDFGL-UHFFFAOYSA-N 307.371 2.813 0 40 DFAB biogenic COc1ccccc1CN[C@H](C(=O)NC1CC1)c1ccccc1 24517665 SRKBFEMECFXKFE-SFHVURJKSA-N 310.397 2.805 0 40 DFAB CN(C)CC(=O)Nc1cccc(CNCc2ccsc2)c1 47830695 SWNSYORUDPPVKN-UHFFFAOYSA-N 303.431 2.538 0 40 DFAB CCCC[C@@H](S[C@](CC)(C(N)=O)c1ccccc1)C(N)=O 1752091 APFHIJURCREXLA-CJNGLKHVSA-N 308.447 2.555 0 40 DFAB CCCCn1c(CCNC(=O)CC[C@H](C)O)nc2ccccc21 7546414 YJKZOQKKGLSZQF-AWEZNQCLSA-N 317.433 2.656 0 40 DFAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(F)c(O)c(F)c1 97377208 OQZRXSCJVLWBPF-HZMBPMFUSA-N 313.344 2.732 0 40 DFAB CCNC(=O)NC(=O)[C@@H](C)Sc1cccc2cccnc12 57469343 XBIRABFZEXEPPW-SNVBAGLBSA-N 303.387 2.561 0 40 DFAB CCc1ccc2nc(CC(=O)Nc3ccc(C)cc3)[nH]c(=O)c2c1 57772175 MTNCEOFOCXTTEL-UHFFFAOYSA-N 321.380 2.975 0 40 DFAB C[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]1c1ccc[nH]1 106832310 KCKXSHFYVGNUSE-HOCLYGCPSA-N 304.438 2.736 0 40 DFAB CC(=O)N1CCC(NC(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 44870895 BUTOPABUDLFURJ-HWKANZROSA-N 324.783 2.619 0 40 DFAB C[C@@H](NC(=O)CN1CSCC1=O)c1ccc2ccccc2c1 44866236 FCILZBNEMGUOTE-GFCCVEGCSA-N 314.410 2.550 0 40 DFAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H]1c1cccs1 44969769 XCMGQZLCYLWLHZ-QWHCGFSZSA-N 304.419 2.880 0 40 DFAB O=C(COC1CCCCC1)Nc1ccn(Cc2ccccn2)n1 58391443 CJNWPDPVAYUPPU-UHFFFAOYSA-N 314.389 2.614 0 40 DFAB CCOC(=O)c1cc2cc(NC(=O)N[C@@H](C)CO)ccc2s1 58357645 RVECSMIKFYPGBU-VIFPVBQESA-N 322.386 2.580 0 40 DFAB Cc1sc2ncnc(N[C@H](C(N)=O)c3ccccc3)c2c1C 58466372 IQVRWFBUELLRSF-ZDUSSCGKSA-N 312.398 2.947 0 40 DFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC(n2cccc2)CC1 84525283 ZYWKNUJHOHYAGG-SFHVURJKSA-N 323.396 2.845 0 40 DFAB CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2onc(C)c12 28478723 NSNLOGOYEWGDST-SNVBAGLBSA-N 314.297 2.926 0 40 DFAB CC(C)n1nnnc1S[C@@H](C)c1nc(-c2ccco2)no1 29740261 ICHGLHVIDDOVDN-QMMMGPOBSA-N 306.351 2.750 0 40 DFAB CCc1ccc(CN(C)C(=O)c2csc(NC(C)=O)n2)cc1 48097797 PTRUQXZKSOJRQC-UHFFFAOYSA-N 317.414 2.936 0 40 DFAB CCN1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 2615761 WPRDWKHPBFSNFQ-GFCCVEGCSA-N 316.474 2.958 0 40 DFAB O[C@@H](COCc1ccccc1Cl)Cn1cc(Cl)cn1 95974759 HFYCGXNTRTYVQX-GFCCVEGCSA-N 301.173 2.768 0 40 DFAB C[C@@H](COc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2C 95420704 NFOAUFDDXQJMSI-BLLLJJGKSA-N 303.381 2.994 0 40 DFAB C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2cccnc2)no1 12322354 CNNGPORRJMKCBN-CYBMUJFWSA-N 322.368 2.883 0 40 DFAB CCOc1ccccc1CN(C)c1cncc(-n2cccn2)n1 48289154 LKVKXRSQTYLGGB-UHFFFAOYSA-N 309.373 2.697 0 40 DFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)/C=C/c2cccc(F)c2)C1 3343032 MZXBQWBRVIPQBT-AGKLADILSA-N 319.376 2.887 0 40 DFAB CC(C)(C)C(=O)NCC(=O)N1CCC(c2ccccc2)CC1 12882510 KAPVILGBGALTIZ-UHFFFAOYSA-N 302.418 2.555 0 40 DFAB CCn1c(SCC(=O)NCC(C)C)nnc1-c1cccs1 3597698 ZSGIEJYOGBVYLW-UHFFFAOYSA-N 324.475 2.891 0 40 DFAB C[C@@H](CNCc1c[nH]nc1-c1cccs1)CN1CCCC1 48749241 CGBFWLBLRJDKIZ-ZDUSSCGKSA-N 304.463 2.960 0 40 DFAB COc1ccc2c(CC(=O)Nc3cccc(C(N)=O)c3)coc2c1 9315257 WINXSRJRBQUNAV-UHFFFAOYSA-N 324.336 2.722 0 40 DFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1 5076777 JUKJLPZJTPJQDJ-LLVKDONJSA-N 315.325 2.585 0 40 DFAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1C 19736091 KLXBSGAJEYJHAE-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB C[C@@H](CN[C@H](C)c1ccc(Cl)cc1)CN1CCN(C)CC1 95421858 MWWWLYQTMASITP-LSDHHAIUSA-N 309.885 2.874 0 40 DFAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)no1 4385170 QBPJWPJCNOJFDZ-CYBMUJFWSA-N 313.357 2.591 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C)n2C)on1 65428354 SROUOFCLEAJUOI-CQSZACIVSA-N 302.378 2.677 0 40 DFAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H]1CCOC1=O 14121748 OYBVZASRGUOQOR-SECBINFHSA-N 309.368 2.652 0 40 DFAB COc1cccc(-c2nnn(CCOc3ccc(C)cc3)n2)c1 6589494 KTIWJGJJVDVQTM-UHFFFAOYSA-N 310.357 2.736 0 40 DFAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccnc1 14568014 XDOCLGXUSZFJJX-UHFFFAOYSA-N 309.369 2.960 0 40 DFAB CCOC(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)o1 96456407 WFGHNZHLTNECFW-UHFFFAOYSA-N 309.268 2.665 0 40 DFAB Cc1cnc(-c2cccc(NC(=O)NC[C@@H]3CCC[C@@H]3O)c2)o1 96434785 BZPQKKYUUQZMLR-ZFWWWQNUSA-N 315.373 2.933 0 40 DFAB CC1(C)CCN1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 96447299 OCPPVYMIFCAOBP-HNNXBMFYSA-N 315.417 2.544 0 40 DFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)OC(C)(C)C 15518117 XRYDKYDHSJPLMH-CYBMUJFWSA-N 316.405 2.602 0 40 DFAB CSc1cccc(N[C@H](C(=O)NC(N)=O)c2ccccc2)c1 7223695 XMMRQSFOJWWJON-AWEZNQCLSA-N 315.398 2.757 0 40 DFAB O=C([C@@H](O)c1ccccc1)N1CCC(c2ccc(O)cc2)CC1 95426922 WELDWNNMIKLVNG-SFHVURJKSA-N 311.381 2.832 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)no1 7629417 IAGHDHMDIYCYRA-LLVKDONJSA-N 306.391 2.818 0 40 DFAB O=C(NCc1ccccc1CN1CCCC1)C1=COCCC1 68386859 GAVCFDRUFZZJBQ-UHFFFAOYSA-N 300.402 2.593 0 40 DFAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccnc1 16499638 IMKPKZJPDGGNHY-KRWDZBQOSA-N 307.353 2.984 0 40 DFAB Cc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1Cl 16642755 UPSFUMVGCCLVQM-UHFFFAOYSA-N 319.792 2.615 0 40 DFAB NC(=O)Nc1ccc(C(=O)OCc2cccc(F)c2F)cc1 16654248 HKJGKOFNXGAPAP-UHFFFAOYSA-N 306.268 2.812 0 40 DFAB CN(c1cnc2ccccc2n1)[C@H]1CCCN(c2cccnn2)C1 71859463 AQRXRPZWMCKXAN-AWEZNQCLSA-N 320.400 2.525 0 40 DFAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccco1 8360072 ITMZAKYLJCEPLB-IINYFYTJSA-N 316.382 2.960 0 40 DFAB C[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@@H](C)O1 71819382 CQQWAXUKLHUBJK-CHWSQXEVSA-N 304.415 2.847 0 40 DFAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 27974307 HRKOOCOWRDAFNL-LLVKDONJSA-N 300.314 2.525 0 40 DFAB CN1CCN(Cc2nccn2CC(F)(F)F)c2ccccc21 83881740 TWSINLYBTPFNDU-UHFFFAOYSA-N 310.323 2.902 0 40 DFAB CC[C@@H](OC1CCCC1)C(=O)NC[C@H](O)c1cccc(F)c1 71904785 JUCONRRNQRAYPA-JKSUJKDBSA-N 309.381 2.713 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-n2cccn2)c(F)c1 69699461 RBGZIYGMIIYXIW-ZDUSSCGKSA-N 317.364 2.510 0 40 DFAB COCCN(CC(F)F)C(=O)N[C@H](C)c1ccc(F)cc1 69619599 UCOFOULHQRPEPG-SNVBAGLBSA-N 304.312 2.810 0 40 DFAB CCc1nnc2n1CCN(Cc1ncc(-c3ccccc3)o1)C2 69742819 OWJUIVUBBQIWTL-UHFFFAOYSA-N 309.373 2.511 0 40 DFAB O=c1c2ccc(Cl)cc2ncn1C[C@@H](O)c1ccccc1 9690309 ACSKCKDYESHYPN-OAHLLOKOSA-N 300.745 2.784 0 40 DFAB O=C(c1cccs1)N1CCC(C(=O)N2CCCCC2)CC1 20612640 GPALWCGRPODGRN-UHFFFAOYSA-N 306.431 2.613 0 40 DFAB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 72008204 IJMLGOYGHSQGJM-VIFPVBQESA-N 323.336 2.856 0 40 DFAB CCOCCCNS(=O)(=O)c1ccc(OC)c2ccccc12 9061927 YPIHVBCQSWFYMG-UHFFFAOYSA-N 323.414 2.553 0 40 DFAB FC(F)(F)c1ccn(C2CCN(Cc3csnn3)CC2)n1 97048924 LYSUICAVNFZYGH-UHFFFAOYSA-N 317.340 2.591 0 40 DFAB O=C(CSc1cn[nH]n1)Nc1ccc(N2CCCCC2)cc1 97012116 IEQLJBVIDYCGGF-UHFFFAOYSA-N 317.418 2.526 0 40 DFAB CSc1ccccc1C[C@@H](C)NC[C@H]1CCCS1(=O)=O 97084637 WHXHKPAJZCLSNG-TZMCWYRMSA-N 313.488 2.506 0 40 DFAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 72235153 JPLUDMUSKZCFSP-CYBMUJFWSA-N 304.419 2.742 0 40 DFAB COc1c([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)c(C)nn1C 72234318 GFABHSLZNGJMMD-GFCCVEGCSA-N 322.796 2.696 0 40 DFAB Cc1ccc(NC(=O)C(=O)Nc2ccccc2-n2ccnc2)cc1 72286794 MVUCNLNHNQFUSD-UHFFFAOYSA-N 320.352 2.758 0 40 DFAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccc(F)cc1C 72275672 DICACHPSCZHSTN-HOCLYGCPSA-N 323.364 2.535 0 40 DFAB C[C@@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1 74626838 YEWJXCMZLHDZAY-HUUCEWRRSA-N 323.506 2.910 0 40 DFAB CN(C)c1ccc(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)cc1 75093579 NMNLLQFWWTWPIM-UHFFFAOYSA-N 322.434 2.574 0 40 DFAB CCc1nc(Cl)c(C)c(NCCc2nnc3ccccn23)n1 75093087 PBEVJASGZVFPMT-UHFFFAOYSA-N 316.796 2.698 0 40 DFAB Cc1ccc(CNC(=O)NC2CCCC2)c(O[C@@H]2CCOC2)c1 89623596 COEAJZGYJIYWSR-MRXNPFEDSA-N 318.417 2.905 0 40 DFAB Cc1cn2c(n1)[C@H](CNCc1nc3ccccc3n1C)CCC2 89702156 RKMKYTOFNRVLDT-AWEZNQCLSA-N 309.417 2.745 0 40 DFAB Cc1nnc2n1CCC[C@@H]2NC(=O)C1C2CC3CC(C2)CC1C3 89740904 ACZUMEXLZGKISW-CGAUPDFVSA-N 314.433 2.610 0 40 DFAB Cn1cccc1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 75353875 YPEBYPBELJTBSP-KRWDZBQOSA-N 314.385 2.513 0 40 DFAB C[C@]1(CNC(=O)NCCCCNc2ccccn2)CCCS1 89919374 OOFRKRCZGMGTHY-MRXNPFEDSA-N 322.478 2.859 0 40 DFAB C[C@H]1CN([C@@H](CNCc2cccnc2)c2cccs2)CCO1 75603958 MIBRZEUKNOLIFG-HOCLYGCPSA-N 317.458 2.695 0 40 DFAB CC(C)C1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 409069084 LFUNMZNLEYDIIM-ZDUSSCGKSA-N 318.270 2.935 0 40 DFAB CCCCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 22524908 QRGPJQZTDKAKEC-UHFFFAOYSA-N 324.446 2.590 0 40 DFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 110681526 LMZJUDYRMJDWPU-KJWHEZOQSA-N 306.793 2.815 0 40 DFAB COCCCn1ccc(Nc2ncnc3cccc(F)c23)n1 78334496 VCXBCJCNSZIJFI-UHFFFAOYSA-N 301.325 2.746 0 40 DFAB C[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)c1cc2ccccc2o1 182689637 RCRUSDKWSZLCAH-NNUHMIRASA-N 308.403 2.560 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](O)C3)s2)o1 31220857 JYUKWCWHZOAING-LLVKDONJSA-N 306.387 2.617 0 40 DFAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C=O 72214486 XAZFLBLRXSRNCM-CYBMUJFWSA-N 305.378 2.746 0 40 DFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 222820479 JAYIBWUGKJUNHP-LBPRGKRZSA-N 310.825 2.849 0 40 DFAB Cc1noc(C)c1[C@H](C)NC(=O)/C=C/c1ccc(C(=O)O)cc1 195541639 ZMMDYUPGVFGZPN-ZKXNXJMVSA-N 314.341 2.880 0 40 DFAB CCC(C)(C)C1CCC(NC(=O)c2ccc(C(N)=O)cn2)CC1 63537443 YCWUCMHTCBLVSY-UHFFFAOYSA-N 317.433 2.905 0 40 DFAB Cc1ccccc1C[C@@H](CNC(=O)c1cccs1)C(=O)O 195542141 KSKWJBVQHFVSEI-ZDUSSCGKSA-N 303.383 2.730 0 40 DFAB CCCn1ccnc1CCCN(C)c1nccn2nc(C)cc12 192360152 JCGQWIGSJOCKCU-UHFFFAOYSA-N 312.421 2.713 0 40 DFAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CCC1 47715330 RKRGAQKMHWDRDQ-UHFFFAOYSA-N 308.372 2.846 0 40 DFAB Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)O)cc1 195541631 ZMMDYUPGVFGZPN-OLKPEBQYSA-N 314.341 2.880 0 40 DFAB CC1(C)Cc2cc(C(=O)N3CCOCC4(CC4)C3)ccc2O1 576519088 DGPQBPPLXVAWTH-UHFFFAOYSA-N 301.386 2.653 0 40 DFAB O=C(NCc1cn2ccccc2n1)c1ccncc1C(F)(F)F 330032290 LMNWAWMTJWQWFT-UHFFFAOYSA-N 320.274 2.678 0 40 DFAB Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)Cn3ccnc3)cc12 96408379 SZTOUJAIQRLHSG-NSHDSACASA-N 300.337 2.630 0 40 DFAB CCCC(=O)NC1CCN(c2cc(OC)cc(OC)c2)CC1 96454577 FHCVLCASOPFKEW-UHFFFAOYSA-N 306.406 2.589 0 40 DFAB O=C(NCc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1 96104626 FUNMAGUGLDIEOY-UHFFFAOYSA-N 318.352 2.695 0 40 DFAB Cc1cccc2c1nc1n2[C@@H](CNCc2ccccn2)COC1 96112645 OHDXYFGARQUDMZ-HNNXBMFYSA-N 308.385 2.601 0 40 DFAB biogenic,in-vitro Cc1cnc(N2CCc3ncnc(-c4ccccc4)c3CC2)nc1 96084005 UHAWCYMZRQUNKN-UHFFFAOYSA-N 317.396 2.847 0 40 DFAB CS(=O)(=O)C(Cl)(Cl)C(=O)c1cccc(Cl)c1 96518103 YOLIJPPWOGLFCD-UHFFFAOYSA-N 301.578 2.699 0 40 DFAB O=C(NC1CC=CC1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95463085 NIPANQXLFKGXBP-LSDHHAIUSA-N 308.328 2.813 0 40 DFAB COc1cc(OC)cc([C@@H]2CCN(CCN3CCCCC3)C2)c1 97227448 JTIDUPVGGLEDCL-MRXNPFEDSA-N 318.461 2.979 0 40 DFAB Cc1noc(Cl)c1CCC(=O)N(C)Cc1ccc(O)cc1 64458603 LTEPBVCAJIEDOF-UHFFFAOYSA-N 308.765 2.933 0 40 DFAB CN1CCC(Cc2ccc(F)cc2)(C(=O)NC2CCC2)CC1 257293942 QRUADJRQYGMDAC-UHFFFAOYSA-N 304.409 2.749 0 40 DFAB COc1ccccc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 257338709 YYPJVKMMAMIIIG-WITVHBPWSA-N 314.429 2.830 0 40 DFAB Cc1csc(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)c1 257342823 ZQGYEXAYTNIBNQ-AWEZNQCLSA-N 317.414 2.677 0 40 DFAB Cc1c[nH]c([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n1 257289700 PZVNMGZGOGAHMX-KRWDZBQOSA-N 311.385 2.567 0 40 DFAB O=C(c1ccccc1)N1CC2(CO[C@H](Cc3cccnc3)C2)C1 257263548 LQLJIZZRNYJFFH-QGZVFWFLSA-N 308.381 2.555 0 40 DFAB Cc1coc(CC(=O)O)c1C(=O)N[C@H]1CCc2cc(F)ccc21 263447038 REJJZFIZCKTVJT-ZDUSSCGKSA-N 317.316 2.772 0 40 DFAB CC(C)(C)c1nsc(NC(=O)c2n[nH]c3ccccc23)n1 69536434 WHNOVYOCGXUTIS-UHFFFAOYSA-N 301.375 2.964 0 40 DFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1cc[nH]n1 48326763 ISVCFONQYDCWQU-CYBMUJFWSA-N 302.378 2.824 0 40 DFAB O=C(Cc1nc2ncccn2n1)Nc1ccc(Cl)cc1Cl 58910935 IPAMOZKUWWMRQV-UHFFFAOYSA-N 322.155 2.612 0 40 DFAB COc1c(C)cnc(COc2cccc(-n3cncn3)c2)c1C 78950659 XLZXKEUTELYPQT-UHFFFAOYSA-N 310.357 2.867 0 40 DFAB Cc1cc([C@@H]2CCCN([C@@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 78901083 YGOYYHGAGZYQIK-CRAIPNDOSA-N 324.428 2.703 0 40 DFAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1 5045758 YPLUVTAYUWMFND-OAHLLOKOSA-N 301.434 2.552 0 40 DFAB O=C(O)c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1 11691510 JEGQZIANJKPMDD-UHFFFAOYSA-N 312.730 2.806 0 40 DFAB C[C@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CCCO1 12193000 XQSXJVMXXUZKGY-MRXNPFEDSA-N 303.337 2.578 0 40 DFAB CCCCc1c(O)nc(-c2ccc(OC)c(OC)c2)oc1=O 16639507 IKEBXYGLVAOUCE-UHFFFAOYSA-N 305.330 2.767 0 40 DFAB C[C@@H](CC(=O)N[C@H](C)Cc1ccccn1)n1nnc2ccccc21 19457036 NTCGEPRWUIKTKJ-KGLIPLIRSA-N 323.400 2.525 0 40 DFAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccco1 252538281 MVLQEVMLXGJQJT-UHFFFAOYSA-N 308.447 2.617 0 40 DFAB Cc1nccn1CC1CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 1849682728 MKYWBRRDCSTKTB-UHFFFAOYSA-N 323.318 2.983 0 40 DFAB CSc1nccc(N2CCC[C@@H](COc3ccncc3)C2)n1 1889101206 PPEOQPLPJRRLHS-CYBMUJFWSA-N 316.430 2.889 0 40 DFAB CCN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)CC2)C1=O 1565543138 FWSVOSMYNULUAG-GOSISDBHSA-N 318.392 2.690 0 40 DFAB CCc1noc(CN(Cc2cccs2)C[C@H]2CCCO2)n1 40489624 FCFFKTBGMVUKDJ-GFCCVEGCSA-N 307.419 2.875 0 40 DFAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2OCC)C1 40526318 XMFBBUKSFJQRTH-CYBMUJFWSA-N 320.389 2.892 0 40 DFAB CN(CC(=O)NCC(F)(F)F)[C@H]1CCCc2ccccc21 32512301 RJIBZTSJFURWJA-ZDUSSCGKSA-N 300.324 2.674 0 40 DFAB CC[C@@H](C(=O)O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 339186 ACOZFLJTXDENNX-SCZZXKLOSA-N 306.387 2.619 0 40 DFAB c1cnc(N2CCC[C@H](Nc3ncnc4ccccc34)C2)nc1 52426986 YRMNEYBEGQLFMC-ZDUSSCGKSA-N 306.373 2.501 0 40 DFAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@H]1c1ccccc1 53794175 GHMLOWMNZILRKP-INIZCTEOSA-N 319.368 2.640 0 40 DFAB O=C(NCC1CC1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 22971804 DCLIJSQOGPHPCM-HNNXBMFYSA-N 308.381 2.719 0 40 DFAB O=C(O)C[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 34173603 WUIQVOMIYLNNEC-MRXNPFEDSA-N 313.353 2.999 0 40 DFAB CC(C)C1=NN(C(=O)c2cccc(F)c2)[C@](O)(C(F)(F)F)C1 794363 MEUWXSPKNMSOAH-CYBMUJFWSA-N 318.270 2.935 0 40 DFAB CC(C)NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 55340204 UIGRKFAYXRFHJB-UHFFFAOYSA-N 319.405 2.988 0 40 DFAB COCCOc1cc(C)ccc1NC(=O)NCc1cccnc1 47852990 NSGAUCDRHXRJHM-UHFFFAOYSA-N 315.373 2.737 0 40 DFAB O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@H]1CO 78648206 JKYICLCMKSMCCC-VIFPVBQESA-N 306.259 2.833 0 40 DFAB O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(F)c1 78725814 ZWQSRULGLWYMES-INIZCTEOSA-N 312.344 2.751 0 40 DFAB COc1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1OC 1600643 OXVNHNCCKFVNPF-UHFFFAOYSA-N 302.282 2.767 0 40 DFAB Cc1cc2cc(C(=O)N3CCC[C@H]3C(=O)N(C)C)oc2cc1C 79379421 NLYZPJOOOOPFMT-AWEZNQCLSA-N 314.385 2.742 0 40 DFAB O=C(c1cccc(F)c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 2734954 AATLTRSTZYMCGM-UXLLHSPISA-N 314.404 2.796 0 40 DFAB Cc1n[nH]c2c1[C@H](c1ccc(C(=O)O)cc1)S[C@@H](C)C(=O)N2 6678624 VIUJDZQTLHEOAO-UFBFGSQYSA-N 317.370 2.580 0 40 DFAB O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 72273267 PYNOERBJCLEOKW-IRXDYDNUSA-N 324.428 2.952 0 40 DFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 58228306 KOBJBNOYIXEWJA-SJORKVTESA-N 314.429 2.697 0 40 DFAB CCN(CC)[C@@H](CNC(=O)c1cc(C)on1)c1ccsc1 44941437 GMLSHECQPWZMRK-AWEZNQCLSA-N 307.419 2.857 0 40 DFAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@H]1CC=CCC1 44955544 BFHOVEKCFKKZDJ-INIZCTEOSA-N 312.413 2.828 0 40 DFAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1nncn1CC 44970856 GZAYEKMNTRKHNF-GFCCVEGCSA-N 319.434 2.579 0 40 DFAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccsc2)C[C@@H](C)O1 21058361 KFIIWRDJTISJLU-ZIAGYGMSSA-N 324.490 2.685 0 40 DFAB CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2ccccc2)CC1 97039053 PATFYZMBGAAHEX-HNNXBMFYSA-N 324.490 2.787 0 40 DFAB O=C(Nc1cccc(CCCO)c1)[C@H]1OCCc2ccccc21 97081999 HXWYCJIRIAISDC-SFHVURJKSA-N 311.381 2.864 0 40 DFAB CCOC(=O)c1s/c(=N\C(=O)C2CCCCC2)n(C)c1C 100837616 XIDNDVZWSPCMSV-NXVVXOECSA-N 310.419 2.579 0 40 DFAB O=C(CCSc1ccccn1)NCCc1cccc(O)c1 97019336 GHHSAJMKYUZNGH-UHFFFAOYSA-N 302.399 2.628 0 40 DFAB COc1ccc(OC)c(NC(=O)Cc2ccc3c(c2)CCO3)c1 11428089 SOYXNBIEDHTTMJ-UHFFFAOYSA-N 313.353 2.820 0 40 DFAB COC(=O)CCCCCNC(=O)c1cc2cc(F)ccc2[nH]1 36723174 IQYDUZGDUAQTKG-UHFFFAOYSA-N 306.337 2.770 0 40 DFAB C[C@@H](C(=O)N1CCCC[C@H]1C)n1cc(Br)cn1 28224209 GXNCZJPTVQVHAM-ZJUUUORDSA-N 300.200 2.608 0 40 DFAB O=C(NCCCOc1ccccc1)Nn1cnc2ccccc21 29337151 INVUWCYGJHHZLZ-UHFFFAOYSA-N 310.357 2.759 0 40 DFAB O=c1c2ccccc2ncn1Cc1csc(-c2ccccn2)n1 12261273 GMXSUPRAYKXXSC-UHFFFAOYSA-N 320.377 2.963 0 40 DFAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)[C@@H](C)CO1 47528704 YGNVYCAQNBERDK-QWRGUYRKSA-N 304.321 2.730 0 40 DFAB Cc1ccc(C(=O)Nc2c(C(N)=O)cnn2-c2ccccc2)cc1 20799587 ASKMOZXRKNUULD-UHFFFAOYSA-N 320.352 2.532 0 40 DFAB O=C(CCCOc1ccccc1)NCCCN1CCCCC1 10279921 QZLNGDYPGBIYNU-UHFFFAOYSA-N 304.434 2.838 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc21 170673254 ZLHVIDQRVOXBFP-CYBMUJFWSA-N 308.385 2.921 0 40 DFAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 12816102 CVFTYJONQDROLK-MDZDMXLPSA-N 321.384 2.875 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(C)=CC[C@H]2C(=O)O)cc1 3893701 LFYCTHKJSJNWEN-CABCVRRESA-N 301.342 2.885 0 40 DFAB O=C(Cc1cccc2cccnc12)OCc1nnc(C2CC2)o1 63924558 AYSSSUYNSCNXEI-UHFFFAOYSA-N 309.325 2.781 0 40 DFAB O=C1c2ccccc2C(=O)N1CCSC[C@H]1CCCCO1 65541477 DNHMEBJCJQIGHK-GFCCVEGCSA-N 305.399 2.585 0 40 DFAB CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 65624820 ACHZQQRQJZUHHV-UHFFFAOYSA-N 312.207 2.633 0 40 DFAB O=C1NC2(CCCC2)C(=O)N1CCOc1ccc(Cl)cc1 4547908 DYWPREZJNMLYDJ-UHFFFAOYSA-N 308.765 2.583 0 40 DFAB COc1cccc(CN2CCC(C(=O)O)CC2)c1OC(C)C 66114681 OHHSUECXRVBVQL-UHFFFAOYSA-N 307.390 2.779 0 40 DFAB CSc1ncc(Cl)c(C(=O)NCCc2ccccc2)n1 9340991 AKHIHUGPHPRURH-UHFFFAOYSA-N 307.806 2.824 0 40 DFAB O=C(CN1CCC[C@@H](c2ccccc2)CC1)Nc1nncs1 66897892 LFMPHHFCQUJRJY-CQSZACIVSA-N 316.430 2.746 0 40 DFAB CS(=O)(=O)c1cc(F)ccc1Oc1cccc(C(=O)O)c1 15443652 VCLVEORXSHEWDT-UHFFFAOYSA-N 310.302 2.720 0 40 DFAB CN(C(=O)NCc1nccn1CCc1ccccc1)C1CCC1 83751456 REVOHHPLAINELC-UHFFFAOYSA-N 312.417 2.820 0 40 DFAB COc1cc(CN2CC[C@H](NCc3ccco3)C2)cc(OC)c1 83920093 JXUFWFJEJVMFNB-HNNXBMFYSA-N 316.401 2.661 0 40 DFAB COc1cccc(-c2noc(CSc3ncccn3)n2)c1 8428992 SIGSFUHKLSPFRU-UHFFFAOYSA-N 300.343 2.828 0 40 DFAB CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 69528079 XVSJZXDJKGISNA-KBPBESRZSA-N 322.474 2.925 0 40 DFAB Fc1cccc(CSc2nnnn2C2CCOCC2)c1F 69566397 GWYYWRJLWJSFES-UHFFFAOYSA-N 312.345 2.595 0 40 DFAB CSCc1cccc(NC(=O)c2c(C)c(C)nn(C)c2=O)c1 71890111 ORYCZXQMJHZUST-UHFFFAOYSA-N 317.414 2.512 0 40 DFAB COc1ccc(S[C@@H](C)C(=O)N2CC[C@H](CN(C)C)C2)cc1 69813431 VDPFHULOLXHACV-UONOGXRCSA-N 322.474 2.586 0 40 DFAB C[C@@H]1Oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2[C@H]1C 8754726 XHTVTTNGQSABSG-QWRGUYRKSA-N 310.353 2.922 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1 97144053 AUAFXQWXMKRCAY-KRWDZBQOSA-N 309.369 2.720 0 40 DFAB CCCN(CC(F)F)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 97596272 IMKTVBAVHBPHTO-NSHDSACASA-N 320.380 2.747 0 40 DFAB O=C(NCc1ccc(CO)c(F)c1)c1ccc2ccccc2n1 95373544 BOUFIYUCHCUGIR-UHFFFAOYSA-N 310.328 2.796 0 40 DFAB CC(=O)c1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 74087987 NGJSKGBLSPGTJI-GOOCMWNKSA-N 300.402 2.634 0 40 DFAB C[C@H](NCC(=O)Nc1cccnc1)c1ccc(-n2cccn2)cc1 95985716 XYXBUSROOYJOSW-AWEZNQCLSA-N 321.384 2.557 0 40 DFAB CC(C)(C)c1n[nH]cc1S(=O)(=O)Nc1ccc(Cl)nc1 75093585 UJIOVCJIBFUYAL-UHFFFAOYSA-N 314.798 2.556 0 40 DFAB CCCOCc1ccccc1CNC(=O)c1ccc(C)[nH]c1=O 75120413 QYGCJZNSLBMZAI-UHFFFAOYSA-N 314.385 2.540 0 40 DFAB Cc1ccc([C@@H]2COCCN2C(=O)Cc2cccc(F)c2)o1 89652722 QJBQHIYKEKGSDJ-HNNXBMFYSA-N 303.333 2.870 0 40 DFAB Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)s1 89656259 OGXNQJJCPHZKCA-GFCCVEGCSA-N 319.382 2.764 0 40 DFAB CC(C)c1nc([C@H]2CCCN2C(=O)[C@H](C)OCC2CC2)no1 76044273 BJASUSNNKHWVEF-WCQYABFASA-N 307.394 2.672 0 40 DFAB CN(Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCCO1 76296546 KDPUKSJVEIRVFP-INIZCTEOSA-N 311.429 2.972 0 40 DFAB Cc1ncc(-c2ccc(NS(=O)(=O)CCOC(C)C)cc2)o1 177540257 AMJAIQWMLKRXTI-UHFFFAOYSA-N 324.402 2.817 0 40 DFAB CCOc1ccc(/C=N/c2ccc(F)c(C(N)=O)c2)c(O)c1 31854617 MXYGABNQYAGYOR-DJKKODMXSA-N 302.305 2.780 0 40 DFAB Cc1ccc(-c2nc(C(N)=O)nn2-c2cc(C)ccc2C)cc1 408694342 JGGCSMCDIYODMW-UHFFFAOYSA-N 306.369 2.958 0 40 DFAB C[C@H](OC(=O)C1CCC1)C(=O)N1CCSc2ccccc21 70040701 NSSUKWRSMIASPU-NSHDSACASA-N 305.399 2.857 0 40 DFAB Cc1cccc(C)c1-n1nnnc1C1(N)C2CC3CC(C2)CC1C3 35606529 SPSWHJWUWLFVRW-UHFFFAOYSA-N 323.444 2.889 0 40 DFAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1c1nccn2nnnc12 521394188 PUTWOEDFPMOLPP-OCCSQVGLSA-N 324.388 2.506 0 40 DFAB O=C(NO[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 34598114 IFIDDJPVCPJIQZ-OAHLLOKOSA-N 315.325 2.540 0 40 DFAB in-vitro O=C(c1ccncc1Cl)N1CCCCC[C@H]1c1ncon1 189579900 KMXGDMLLZDSHTC-LBPRGKRZSA-N 306.753 2.876 0 40 DFAB O=C(OC[C@@H]1CCCO1)c1snnc1-c1ccc(F)cc1 223843613 VERHWASPFJFZCJ-NSHDSACASA-N 308.334 2.680 0 40 DFAB COc1nc2ccnc(C)c2cc1I 81213622 HLKGEJWYNOHKTJ-UHFFFAOYSA-N 300.099 2.551 0 40 DFAB CC(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(C(C)C)n1 1065131723 NAIWZYJJIAFVCZ-CABCVRRESA-N 316.449 2.826 0 40 DFAB O[C@@H]1CCCC[C@H]1n1nnc(-c2ccccc2Br)n1 225463799 AZCCKVYEZLWCKN-VXGBXAGGSA-N 323.194 2.579 0 40 DFAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 96112810 PSMWUEXQTQQKCS-HNNXBMFYSA-N 308.385 2.601 0 40 DFAB biogenic,in-vitro CCc1nc([C@H](C)NCc2cc(=O)n3ccccc3n2)cs1 97374513 IVNMKCNYMCRJNH-NSHDSACASA-N 314.414 2.564 0 40 DFAB C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCOc2ccccc21 96469168 WVNDZHLONALYPW-GXTWGEPZSA-N 313.353 2.923 0 40 DFAB CCS(=O)(=O)c1n[nH]cc1-c1ccc(Br)cc1 96525331 BWKLCBGLRIKEDA-UHFFFAOYSA-N 315.192 2.633 0 40 DFAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)o1 96184711 UCLBTYVDPYQSOC-DLBZAZTESA-N 317.433 2.889 0 40 DFAB Cc1csc(CCCNC(=O)NC[C@@]2(C)CCCS2)n1 96467093 HYDCOHHZQHKMGM-CQSZACIVSA-N 313.492 2.969 0 40 DFAB Cc1oncc1CN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C 97103508 FWEGAWXDOYGYQU-AWEZNQCLSA-N 309.410 2.814 0 40 DFAB CNC(=O)[C@H](C)CN(C)Cc1cc(C)c(Br)s1 93899147 XOAVUOVTBFGNJC-SECBINFHSA-N 319.268 2.633 0 40 DFAB FC(F)(F)c1nc(Cl)c2cnn(C3CCOCC3)c2n1 95097298 ZMVSOZBAJYWBHB-UHFFFAOYSA-N 306.675 2.850 0 40 DFAB Cc1ncsc1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 96414126 BYFUVXVCOPWIHS-NSHDSACASA-N 317.414 2.929 0 40 DFAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccnc(N(C)C)c2)C1 96432366 XNAQAZRSUSXEEC-UONOGXRCSA-N 307.463 2.894 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@H]12 96100382 CHYJWVKVZYFTJL-AZUAARDMSA-N 321.424 2.570 0 40 DFAB Brc1cc2[nH]c(I)cc2cn1 237996162 JBHHCARBCGGWSF-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nncs2)C12CCCC2 96419845 BFHOYNXQOKGAGE-MNOVXSKESA-N 310.423 2.740 0 40 DFAB F[C@@H]1CN(C2CCOCC2)C[C@@H]1OCc1nc2ccccc2o1 96112094 YXIBJYTTXBWHEI-CJNGLKHVSA-N 320.364 2.546 0 40 DFAB biogenic,in-vitro O=C(Nc1ccc(O)cc1)c1csc2nc(=O)sc-2c1 96318832 FDFJBMUSAOFVJC-UHFFFAOYSA-N 304.352 2.628 0 40 DFAB Fc1ccc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cc1 96070698 IYGIOWSTBDHQIN-JCGIZDLHSA-N 313.376 2.968 0 40 DFAB c1cncc(NC[C@@H]2CC[C@H]3[C@H]2OCCN3c2cccnc2)c1 248066655 RGCYLAWTYADCOF-WBAXXEDZSA-N 310.401 2.573 0 40 DFAB O=C(Cn1cccc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252536947 JWCDKNUUAOSVRE-MRXNPFEDSA-N 321.380 2.716 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257207405 BHPJXVJTBQVHKM-YOEHRIQHSA-N 307.390 2.826 0 40 DFAB Cc1ccc(S(=O)(=O)Oc2c(C)cc(CO)cc2C)cc1 256053933 UFPDRVGVLVTGNC-UHFFFAOYSA-N 306.383 2.872 0 40 DFAB CC(=O)N1CCN(Cc2scnc2C)C[C@H]1c1ccccc1 257202318 ALGMZKYYPINSNE-INIZCTEOSA-N 315.442 2.857 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575404525 NLXUDLQDHCLLRF-ZDUSSCGKSA-N 306.431 2.737 0 40 DFAB CO[C@H](C(=O)N1CCC[C@@H](n2ccnc2C)C1)c1ccccc1 69738516 NBWQLXKYKXYALN-SJORKVTESA-N 313.401 2.743 0 40 DFAB CC(C)OCCCNC(=O)Nc1cccc(-c2nnco2)c1 44087309 RLKXMWYTCWPXDK-UHFFFAOYSA-N 304.350 2.673 0 40 DFAB COc1ccc([C@H]2CCCN2CC(=O)N2CCCCC2)cc1 48324398 HFSWZYBWZCFVQA-QGZVFWFLSA-N 302.418 2.845 0 40 DFAB Cc1ccc(-c2noc(CN(C)[C@@H]3CCN(C)[C@H](C)C3)n2)cc1 78876512 QUCUDNIHELQPTG-GDBMZVCRSA-N 314.433 2.960 0 40 DFAB COCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 73978599 LHGMPZFOXBYPQQ-ZOBUZTSGSA-N 320.433 2.891 0 40 DFAB CN1C(=O)C[C@@H](NCc2cccc3cc[nH]c23)[C@@H]1c1cccnc1 583616533 IERNSWRBUDGNDJ-APWZRJJASA-N 320.396 2.625 0 40 DFAB FC(F)(F)c1cccnc1N1CCC[C@@H](C2OCCO2)C1 95959050 LGWSPMIIOLYDTM-SNVBAGLBSA-N 302.296 2.690 0 40 DFAB CCOCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 5077404 YBKAPEDSWAAIHE-UHFFFAOYSA-N 321.377 2.733 0 40 DFAB CC(C)(C)NC(=O)COC(=O)c1cc2ccccc2cc1O 5079229 AZGZQUFXYKTGOZ-UHFFFAOYSA-N 301.342 2.617 0 40 DFAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 5405797 PVSVDSKLCYNNOH-BBRMVZONSA-N 316.401 2.815 0 40 DFAB O=C(COC(=O)c1ccccn1)c1cccc(Br)c1 11077642 QVVWHRXYBRASFU-UHFFFAOYSA-N 320.142 2.884 0 40 DFAB Cc1cc(C)cc(OCC(=O)NCCN(C)c2ccccc2)c1 12611706 ZFEAEPXUJZVRCG-UHFFFAOYSA-N 312.413 2.935 0 40 DFAB NC(=O)N[C@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 14263711 XXPDKQWJAOAKLB-CQSZACIVSA-N 319.311 2.703 0 40 DFAB COc1ncccc1CN=c1[nH]cnc(-c2ccccc2)c1F 1888899321 RXCNCQRMBXELPV-UHFFFAOYSA-N 310.332 2.720 0 40 DFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1 25169200 ZJSDBTSVRDABRH-HNNXBMFYSA-N 320.414 2.687 0 40 DFAB Cc1cc2n(C[C@@H](O)c3ccccc3)c(=O)c3ccccc3n2n1 25235409 YMGAKLASVLQKCU-QGZVFWFLSA-N 319.364 2.691 0 40 DFAB C[C@@H]1CN(CC(=O)c2ccccc2Br)C[C@@H](C)O1 25315380 LSWRTEMLPBKQEH-GHMZBOCLSA-N 312.207 2.741 0 40 DFAB O=C(Cc1c(Cl)cccc1Cl)NC1CCC(O)CC1 3559668 ULMMZKHYQVJULM-UHFFFAOYSA-N 302.201 2.956 0 40 DFAB C[C@H]1CC[C@H]2[C@H]3C[C@@H]4C[C@]2(O)[C@@]2(C[C@H](O)[C@@H]5CCCC[C@@H]5[C@H]42)N13 2048392569 AGKXKKZYQAPZDW-UKFAAACKSA-N 317.473 2.550 0 40 DFAB Cc1cc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2cc1C 427746 FRWBJNHYXXVMJN-UHFFFAOYSA-N 312.413 2.994 0 40 DFAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)no1 2625602 AMKASRHLIAOBPU-UHFFFAOYSA-N 316.342 2.764 0 40 DFAB CCCNC(=O)c1ccc2c(=O)n(CCC)c(=S)[nH]c2c1 3043420 CBDBUNWPXFHHLB-UHFFFAOYSA-N 305.403 2.609 0 40 DFAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)c3csc(C)n3)C1)CO2 2055793545 RNPIFGLDDIPTDU-KRWDZBQOSA-N 314.410 2.936 0 40 DFAB O=C(NCC1(O)Cc2ccccc2C1)c1c(F)cccc1Cl 225714812 IVZTZNNPRXQDSN-UHFFFAOYSA-N 319.763 2.739 0 40 DFAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)C(F)(F)c1cccc(Cl)c1 52193691 AGNDTFYHYGCJKN-MFKMUULPSA-N 316.779 2.888 0 40 DFAB CCCCCNC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 102168100 NZKIIJAICSMZAM-UHFFFAOYSA-N 319.430 2.625 0 40 DFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 102257801 RUFAPPOPKGWKPP-LLLHUVSDSA-N 307.397 2.838 0 40 DFAB Cc1ccn(C(=O)c2cnsn2)/c(=N/C2CCCCC2)c1 102493576 CPYVIIZJTARGEB-SAPNQHFASA-N 302.403 2.570 0 40 DFAB CCCCNC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 32837434 NRUKWUDYGNHPCJ-AWEZNQCLSA-N 304.369 2.748 0 40 DFAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)Nc2ccccc21 408317 CLQDQNKSWUZURA-QGHHPUGFSA-N 315.756 2.999 0 40 DFAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)cn2c1 544178 KANXUDIONBSTAY-UHFFFAOYSA-N 315.398 2.560 0 40 DFAB Cc1cc(C(=O)NCc2cccnc2OC2CCCC2)no1 41969552 DUCCNPYLOAAKKE-UHFFFAOYSA-N 301.346 2.629 0 40 DFAB COc1cc([C@H](O)[C@H](C)Oc2ccccc2OC)ccc1O 185102 QJGIDXOMZMVHIJ-APPDUMDISA-N 304.342 2.910 0 40 DFAB biogenic Cc1ccc(N2CCCC2)c(C(=O)NO[C@@H]2CCCCO2)c1 78764709 WMVGGZPCZSRNKF-MRXNPFEDSA-N 304.390 2.783 0 40 DFAB Cc1cccc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1O 78997662 YRYAPTNAWYNSIK-QRQCRPRQSA-N 317.410 2.550 0 40 DFAB CCN(C[C@@H]1CCN(C(=O)c2ccoc2)C1)CC(F)(F)F 78992542 JLOKWPKLLAZGSQ-NSHDSACASA-N 304.312 2.626 0 40 DFAB CCOc1ccc(CC(=O)NCCc2csc(C)n2)cc1 4166946 QSVKNXWEMIUDPS-UHFFFAOYSA-N 304.415 2.752 0 40 DFAB Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cnn(C)c1C)[C@@H](C)C2 96002209 XBLKIJSTJSYAQM-SJCJKPOMSA-N 312.417 2.770 0 40 DFAB CCS[C@H]1CCC[C@@H](NC(=O)NC2CCC(O)CC2)C1 84811927 RKYLVHRDOYLQHN-HHTDUIENSA-N 300.468 2.653 0 40 DFAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccccn2)no1 96000684 RCKXEUUOHWPUCK-GFCCVEGCSA-N 301.350 2.922 0 40 DFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)cs1 6681609 UZLCLRSUKDLDFY-UHFFFAOYSA-N 324.427 2.607 0 40 DFAB CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1OCC 7360645 DKJIGPCLSIXOFS-UHFFFAOYSA-N 322.386 2.680 0 40 DFAB COc1ccc(OC)c(C(=O)COC(=O)c2ccsc2)c1 7619887 FRHFXSPADLULKN-UHFFFAOYSA-N 306.339 2.805 0 40 DFAB O=C(Cc1cccc(O)c1)N1CCO[C@@H](c2ccsc2)C1 89780620 CMCLREJHIMQTMA-OAHLLOKOSA-N 303.383 2.596 0 40 DFAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)C(C)(C)C)n2C 100878867 VWBVSJRCYUJFKI-BMRADRMJSA-N 320.414 2.890 0 40 DFAB O=C(CCc1ccccc1O)NCc1ccc(-n2ccnc2)cc1 58180712 GVXRUCXAZJVLLJ-UHFFFAOYSA-N 321.380 2.827 0 40 DFAB Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 58299408 KQLMEPBOAHKRFU-RYUDHWBXSA-N 320.190 2.925 0 40 DFAB CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)c1nccn1C 58280740 UWUFUZMIILFCDN-JLHYYAGUSA-N 316.357 2.541 0 40 DFAB Cc1cc(NC(=O)CSc2ncnc3sccc23)on1 10340941 OPTRLEHKWDUVIL-UHFFFAOYSA-N 306.372 2.719 0 40 DFAB CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2ccccc21 58412620 NGKJDHVUHJXPLG-UHFFFAOYSA-N 314.385 2.640 0 40 DFAB CCC(CC)c1cc(CNC(=O)[C@H]2CCn3cncc3C2)on1 89943193 VSPKWXYQBGZXGY-ZDUSSCGKSA-N 316.405 2.654 0 40 DFAB COCCNC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 75610524 COYWVAYINWDONS-UHFFFAOYSA-N 319.380 2.842 0 40 DFAB COc1ccc(CCNC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 29854887 YGCKKTCCHPEZTA-UHFFFAOYSA-N 322.364 2.509 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(Cl)C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]12Cl 100930722 SXIFUYIBLDTKKR-WYEVPRJASA-N 309.192 2.738 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2[nH]cnc2c1 12600134 STGRKAGDHBVHFV-UHFFFAOYSA-N 322.368 2.652 0 40 DFAB Cc1ccc(CNC(=O)CCNC(=O)Nc2ccccc2)cc1 12787497 YCLXAXCOKFMEAY-UHFFFAOYSA-N 311.385 2.823 0 40 DFAB CC(C)=CC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 3341583 PAKODQHOUWLLFO-UHFFFAOYSA-N 314.366 2.919 0 40 DFAB CC(C)c1ccc(CN(c2ccc3nnnn3n2)C2CC2)cc1 13010336 UBNBHCYVHFAFGL-UHFFFAOYSA-N 308.389 2.812 0 40 DFAB C[C@H]1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)C[C@@H](C)O1 13607092 LZXNLEXDEHQBQT-AOOOYVTPSA-N 323.776 2.761 0 40 DFAB COc1cc(CN[C@]2(CO)CCc3ccccc32)cc(OC)c1 89423950 OVHWTIYMQWVNOS-IBGZPJMESA-N 313.397 2.627 0 40 DFAB CCOC(=O)[C@@]1(N(CC)CC)Sc2cc(C)ccc2NC1=O 19790425 DGOYFIDOIXRNRT-INIZCTEOSA-N 322.430 2.640 0 40 DFAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)s1 6601980 UESGGTMIMXIGGO-UHFFFAOYSA-N 322.455 2.897 0 40 DFAB CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 4705198 NVOUITDGHNRCPU-WFASDCNBSA-N 304.390 2.719 0 40 DFAB CC(C)NC(=O)CCNCc1cnc(-c2ccccc2)s1 66971760 YSZVJEQYDWBDKB-UHFFFAOYSA-N 303.431 2.814 0 40 DFAB CCN(CCNC(=O)N[C@H](c1nc(C)cs1)C1CC1)C1CC1 96439882 SMVWWWBJCVQUDT-AWEZNQCLSA-N 322.478 2.686 0 40 DFAB Cc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)n1 71893146 NJTVZHVSOLFNFN-UHFFFAOYSA-N 324.409 2.881 0 40 DFAB COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)ncn1 96501639 VASQZBGUXAUBFG-VIFPVBQESA-N 322.315 2.988 0 40 DFAB CC(C)N(C(=O)COc1cccc(C(=O)NC2CC2)c1)C(C)C 71965648 OXRVPJJNTUTCNO-UHFFFAOYSA-N 318.417 2.603 0 40 DFAB COc1ccccc1CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8131194 OQCRZDFAYAKBEJ-PXAZEXFGSA-N 302.374 2.696 0 40 DFAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc3c2CCC3=O)no1 9690428 FAXGKKCSHMDOIC-SNVBAGLBSA-N 300.314 2.518 0 40 DFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(Cl)c1 28048301 PWNDKUYLSNUNBI-AWEZNQCLSA-N 303.745 2.766 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)Nc1ccccn1 69700226 QGBWLWAXBDVLTI-GFCCVEGCSA-N 320.393 2.603 0 40 DFAB CC[C@](C)(O)CNCc1ccc(OCc2ccncc2)cc1 69897527 NOYHDVNETWWQOH-SFHVURJKSA-N 300.402 2.911 0 40 DFAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 75139295 XNBXPDMJNRFOOQ-OAHLLOKOSA-N 319.405 2.560 0 40 DFAB C[C@H](NCc1nc(-c2cccs2)no1)[C@@H](C)n1cccn1 69951353 JLFARXNTMPBITO-WDEREUQCSA-N 303.391 2.734 0 40 DFAB Cc1ccccc1C[C@H](CNC(=O)c1ccsc1)C(=O)O 97018807 SOMHJVOJJDYEBN-CQSZACIVSA-N 303.383 2.730 0 40 DFAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ncccc2Cl)C1 97046956 IXSJWHQZOLMZKF-NEPJUHHUSA-N 323.824 2.958 0 40 DFAB C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccncc1 97032663 XGSHKZVZGYVLEK-QFBILLFUSA-N 311.429 2.806 0 40 DFAB Cc1ccccc1-n1nccc1NC(=O)NCc1cnn(C)c1C 97033276 XECANKHKYWGVSS-UHFFFAOYSA-N 324.388 2.544 0 40 DFAB Cc1cccnc1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 72288294 KNNHNFDLWLZQOF-ZDUSSCGKSA-N 317.295 2.800 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@H](C)c2ccccc2Cl)on1 72275109 HOMHJDXQZIHXBO-SNVBAGLBSA-N 314.794 2.817 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCCN3C)C2)sc1C 72297551 JRQFEXWYWAZSPE-LSDHHAIUSA-N 321.490 2.950 0 40 DFAB O=S(=O)(Nc1ncccn1)c1ccccc1-c1ccccc1 97114303 RFZSDYSCAVQLHN-UHFFFAOYSA-N 311.366 2.944 0 40 DFAB CCOc1cc2c(cc1CNCc1c[nH]nc1C)O[C@H](C)C2 97139871 GDCPTLAAKLPONJ-LLVKDONJSA-N 301.390 2.730 0 40 DFAB CCCn1nc(C)c(CNc2nnc(-c3ccncc3)o2)c1C 97142106 NZFQZMZEISVMLA-UHFFFAOYSA-N 312.377 2.967 0 40 DFAB C[C@H](Cc1ccsc1)NC(=O)c1ccc2c(c1)OCCO2 84640966 RZXGUUKAEOBPPC-LLVKDONJSA-N 303.383 2.880 0 40 DFAB CNC(=O)c1ccc(OC)c(NCc2nc3ccccc3n2C)c1 95428664 MEAXZACVKSILLW-UHFFFAOYSA-N 324.384 2.554 0 40 DFAB CC(C)(C)CC(C)(C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 69664703 WHKYDHGMLKBXCX-BZNIZROVSA-N 312.479 2.771 0 40 DFAB COCCN(CCOC)CSc1nc2ccccc2s1 31658486 JEZAHFOOXNDEPL-UHFFFAOYSA-N 312.460 2.941 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)s2)o1 72264825 HWPNSTFHEZKKQO-UHFFFAOYSA-N 314.366 2.935 0 40 DFAB CCC(=O)c1ccc(O[C@H](C)C(=O)NCC(F)(F)F)cc1 78971762 VPXPCAMTWYAKAQ-SECBINFHSA-N 303.280 2.725 0 40 DFAB Cc1ccsc1[C@H](O)CNC(=O)c1ccc2nsnc2c1 70635653 ZVXVQQXDWQFEEP-GFCCVEGCSA-N 319.411 2.525 0 40 DFAB CN(C)[C@H](CN[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(C)c1 129967814 JZZRGRMMCCWNPA-MELADBBJSA-N 318.387 2.734 0 40 DFAB CCOC(=O)[C@@H](C)Nc1cccc(CN2CCCCC2=O)c1 79354949 AWHJVULYBKGWBM-CYBMUJFWSA-N 304.390 2.563 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@](C)(O)c1ccccc1 79349377 CHMUPWOAGLEWSL-INIZCTEOSA-N 304.415 2.763 0 40 DFAB COc1ccc(-c2noc(C(=O)NC(C)(C)C)c2[C@H](C)O)cc1 225431021 PAARPEBZSFNDRM-JTQLQIEISA-N 318.373 2.932 0 40 DFAB biogenic,in-vitro CCOC(=O)C(F)(F)[C@](C)(O)c1cccc(Br)c1 40539682 AETDLDUTWNRJGB-LLVKDONJSA-N 323.133 2.855 0 40 DFAB Cc1ccc([C@]2(C)CCN(Cc3ncnn3CCF)C2)cc1 225644766 GEPAIWAQKDKWCO-QGZVFWFLSA-N 302.397 2.720 0 40 DFAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCN(C)CC1 225708333 QZKGVVWBGVOIPV-CQSZACIVSA-N 316.445 2.543 0 40 DFAB CCc1ccc(CNC(=O)N2CC[C@@H](C(=O)OC)[C@H](C)C2)s1 190109322 YWQKKFPGDBLOCE-BXUZGUMPSA-N 324.446 2.651 0 40 DFAB C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1 132543960 YCCAUYXQAWDNDC-WCQYABFASA-N 310.463 2.689 0 40 DFAB CCO[C@@H](CNC(=O)NCc1nccs1)c1ccccc1 193450878 JPKUJJNHEAIPQO-ZDUSSCGKSA-N 305.403 2.720 0 40 DFAB Cc1nnsc1C(=O)NCc1cncc(-c2cccs2)c1 225663559 DPTSFSQRMHTGRE-UHFFFAOYSA-N 316.411 2.900 0 40 DFAB Cc1csc(NC(=O)[C@@H](C)Oc2nn(C)c3ccccc23)n1 226755143 YSOWQBIRNYTMLX-SNVBAGLBSA-N 316.386 2.744 0 40 DFAB CCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C 224173595 KKOIYPVZTMMVBD-OAHLLOKOSA-N 304.434 2.894 0 40 DFAB Cn1c(NC(=O)c2cccc(C(=O)O)c2)nc2cc(F)ccc21 195546749 SCPCUHIVVMHECI-UHFFFAOYSA-N 313.288 2.663 0 40 DFAB CCOCCCNC(=S)Nc1nccc(-c2cccs2)n1 225185695 JKTCABFISRWWGY-UHFFFAOYSA-N 322.459 2.918 0 40 DFAB Cc1nc(NC(=O)N(CCCO)Cc2ccncc2)sc1C 84059142 PBYFABLLSBZGRW-UHFFFAOYSA-N 320.418 2.571 0 40 DFAB NC(=O)OCCNC(=O)c1cc(-c2ccccc2)ccc1Cl 97371465 QIWNZONSZCRULK-UHFFFAOYSA-N 318.760 2.832 0 40 DFAB Cc1nc([C@H]2CN(Cc3c(F)cccc3Cl)CCO2)no1 95958105 JHDZTZFUFBVPJV-CYBMUJFWSA-N 311.744 2.744 0 40 DFAB CCOC(=O)c1sc(NC(=O)[C@@H](C)n2cccc2)nc1C 96486420 WLFSAFUJAHZALQ-SNVBAGLBSA-N 307.375 2.629 0 40 DFAB CC1(C)C[C@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccccc2O1 96473508 QMVGEEMXRDQOKG-GUTXKFCHSA-N 316.401 2.525 0 40 DFAB O=C(c1ccoc1)N1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96046265 FNRJVGAWJYCKDI-WCFLWFBJSA-N 304.371 2.728 0 40 DFAB C[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cc2ccccc2o1 97231370 NKLLPYXPLLSGJJ-AAEUAGOBSA-N 301.342 2.860 0 40 DFAB c1cc(N2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)ncn1 96040326 WFXUVGWGGVDIBB-SJLPKXTDSA-N 317.433 2.669 0 40 DFAB COc1cc(NC(=O)C[C@H]2CCCO2)ccc1Br 96445117 GUXGBBWCCCTARI-SNVBAGLBSA-N 314.179 2.965 0 40 DFAB COc1cccc(N2CCC3(CC2)N=C(O)[C@@H]2CCCCN23)c1 96429887 ZXLVWAVCWJEZJQ-INIZCTEOSA-N 315.417 2.816 0 40 DFAB O=c1c2cc(Br)ccc2cnn1Cc1ccccn1 95095832 MNGIJCNZMFJISR-UHFFFAOYSA-N 316.158 2.602 0 40 DFAB Cc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)s1 248078781 HZYCGVSHOGVBGK-JKSUJKDBSA-N 306.475 2.742 0 40 DFAB CO[C@@H](C[C@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1)C(=O)O 248143600 CVPIBKKDDCLYAR-JQWIXIFHSA-N 314.765 2.988 0 40 DFAB CC(C)c1ccc(NC(=O)NCCn2ncnn2)c(C(C)C)c1 390834064 RDJXDSLMGNJRSZ-UHFFFAOYSA-N 316.409 2.742 0 40 DFAB CO[C@H]1CSC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2 575403465 LICHDRTWTCUFBY-CQSZACIVSA-N 316.426 2.525 0 40 DFAB C[C@]1(c2ccccc2)CN(C(=O)c2cc(Cl)no2)CCO1 585140417 DDNQDAPDRGOOOP-OAHLLOKOSA-N 306.749 2.716 0 40 DFAB O=C(NCCNc1ncccn1)c1cc2c(s1)CCCCC2 48010567 HXJRMDMYNPBTDS-UHFFFAOYSA-N 316.430 2.649 0 40 DFAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1c1ccccn1 55517450 MZUIRBWZUKBVGZ-MRXNPFEDSA-N 319.368 2.640 0 40 DFAB Cc1csc(NC(=O)CN2CCC[C@H]2c2ccc(O)cc2)n1 58393444 CACMAQXOWKDCPQ-AWEZNQCLSA-N 317.414 2.933 0 40 DFAB Cc1cc(NC(=O)[C@H]2CCCO2)n(-c2ccc(Cl)cc2)n1 84105026 RRTFYQNXKXIUBY-CYBMUJFWSA-N 305.765 2.952 0 40 DFAB CC/C(=C\C(=O)NCc1nnc(C)n1C)c1cccc(Cl)c1 98052847 VQDVDCUUDKEGSU-FMIVXFBMSA-N 318.808 2.887 0 40 DFAB COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 430726 OTSHKUMYPYQGJA-RIYZIHGNSA-N 323.304 2.768 0 40 DFAB CC[C@](CNc1cc(C)nc2ncnn12)(OC)c1ccccc1 1775972396 FNAABJYUZQATTM-QGZVFWFLSA-N 311.389 2.797 0 40 DFAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@]2(C)CCCO2)n1 12201164 GMPHJZJVHYJRMR-PXAZEXFGSA-N 315.373 2.791 0 40 DFAB COCc1cc(C)nc2c1[C@H]1N=C(CC(C)C)NC(=O)[C@H]1S2 15107190 MMBNGYUCQQBDSU-KGLIPLIRSA-N 319.430 2.626 0 40 DFAB NNc1nc2ccccc2c(=O)n1-c1cc(Cl)cc(Cl)c1 15424539 NQDFNRQAJSSXQA-UHFFFAOYSA-N 321.167 2.978 0 40 DFAB O=C1NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)N1 16399140 FBCVEWBLOVEVFR-DHDCSXOGSA-N 312.300 2.585 0 40 DFAB O=C(Cc1ccccc1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19370143 RMUJIQDWUDZIPI-OAHLLOKOSA-N 320.352 2.648 0 40 DFAB CN1CCOc2ccccc2CCCCC2(CCNCC2)C1=O 643588373 VTDZQSFKPFFZLN-UHFFFAOYSA-N 316.445 2.620 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NCC(=O)O)CC1 252517704 PBSOGJGWMQEYKX-JOCQHMNTSA-N 314.426 2.617 0 40 DFAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccccc1 18177057 GMQRJRRHGPNZAA-UHFFFAOYSA-N 317.433 2.843 0 40 DFAB COc1ccc(/C=C/C(=O)n2nnc3ccccc32)c(OC)c1 4977800 SLZUKDUNAUEHLG-CSKARUKUSA-N 309.325 2.802 0 40 DFAB C[C@@H](c1cccnc1)N(C)C[C@@H](O)COCc1ccccc1 119363400 FFJQATJQARTNOE-MAUKXSAKSA-N 300.402 2.652 0 40 DFAB O=C(NC1CC1)c1cn(C(c2ccccc2)c2ccccc2)nn1 2087075566 LGOHZILCCRNQAQ-UHFFFAOYSA-N 318.380 2.808 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)C3CCC(C)CC3)CC2)CN1C 1565542612 FKVFFLKZQRXCFD-OFLPRAFFSA-N 322.493 2.772 0 40 DFAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1CCOC 5106626 JMHNCPQZQRGNNR-UHFFFAOYSA-N 303.387 2.636 0 40 DFAB Cn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2cc(F)ccc21 35507547 YIJLPFWJPBCQCV-UHFFFAOYSA-N 322.299 2.790 0 40 DFAB O=C(NCC[C@@H](O)c1ccco1)c1ccccc1Br 77111177 MKCSTHPPRCVALN-GFCCVEGCSA-N 324.174 2.896 0 40 DFAB N[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 152388737 DRXCKKMOWIJUQV-AWEZNQCLSA-N 300.333 2.791 0 40 DFAB Cc1ccc2c(CC(=O)N[C@H](C)c3nncn3C)coc2c1C 40116098 OSIWPSONARZZJE-GFCCVEGCSA-N 312.373 2.598 0 40 DFAB CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2ccccc21 100485370 LIUDDRRJWVFLOE-SFHVURJKSA-N 324.380 2.809 0 40 DFAB Cc1ccc2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c[nH]c2c1 40566514 URCBNXYBBPLKFU-AWEZNQCLSA-N 318.373 2.997 0 40 DFAB CC(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccco2)s1 32776881 PVYPAHDRCOOYOE-VIFPVBQESA-N 321.354 2.578 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)c[nH]1 32768073 IQUMUEPZEYDWRB-UHFFFAOYSA-N 305.765 2.757 0 40 DFAB O=C(CN(Cc1ccc(Cl)cc1)C1CC1)Nc1nncs1 53128875 NHEDKIIHDAHQCP-UHFFFAOYSA-N 322.821 2.795 0 40 DFAB C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1cc2ccccc2o1 23951941 NFLQLFYLLNQZKD-LLVKDONJSA-N 302.374 2.772 0 40 DFAB Cc1ccc(F)cc1S(=O)(=O)N(Cc1cccnc1)C1CC1 42986333 BOFQPJKCBAOVOT-UHFFFAOYSA-N 320.389 2.882 0 40 DFAB Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccco1 416146 QENNXNLDAFEUTA-UHFFFAOYSA-N 320.418 2.570 0 40 DFAB NC(=O)N1CCC[C@@H]1COC(=O)c1cc(Cl)sc1Cl 78948370 YIVZUJRUUPFNJN-ZCFIWIBFSA-N 323.201 2.755 0 40 DFAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)no2)cc1F 79020133 MNKFNEGSBLPIKW-JTQLQIEISA-N 306.293 2.731 0 40 DFAB CNC(=O)Cc1nc(CNc2cccc3c2CCCC3)cs1 79068323 QIVJBYWLHSTORY-UHFFFAOYSA-N 315.442 2.923 0 40 DFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2F)C1 24752174 OSWVMNXBTDWRTI-LBPRGKRZSA-N 308.353 2.941 0 40 DFAB N[C@@H](CCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608373 JCHQLSDKMKCVTK-CALCHBBNSA-N 310.397 2.577 0 40 DFAB COCCNC(=O)Nc1ccc(Br)cc1Cl 43420545 WUWLMQRECCYGIC-UHFFFAOYSA-N 307.575 2.870 0 40 DFAB Nc1c(C(=O)N2CCCC2)sc2nc3c(cc12)CCCC3 6815560 UWQAPBTYVHFBNT-UHFFFAOYSA-N 301.415 2.993 0 40 DFAB CC(C)C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccco2)cs1 44345163 AIAIYWYZTKKXFP-SNVBAGLBSA-N 321.402 2.751 0 40 DFAB COC(=O)c1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 8037826 CNJPPAGBBGTRMS-UHFFFAOYSA-N 313.353 2.590 0 40 DFAB C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1 44867572 DDQLABVXKZMCIX-LBPRGKRZSA-N 324.471 2.849 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1C 58279697 HZNFRPBTCRUPSZ-LBPRGKRZSA-N 319.449 2.684 0 40 DFAB CCC[C@H]1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1 58281983 TVXMFAGQUBEJGM-AWEZNQCLSA-N 306.406 2.747 0 40 DFAB Cc1cc(C)c(C)c(C(=O)CSc2nc(N)cc(=O)[nH]2)c1C 11535528 ZPTILXSITDBZBZ-UHFFFAOYSA-N 317.414 2.561 0 40 DFAB Cc1ccc(N2C(=O)/C(=C/NN(C)C)c3ccccc3C2=O)cc1 29354814 BIWMPEASXHNXKN-SFQUDFHCSA-N 321.380 2.589 0 40 DFAB O=C(O)CCc1nnc(-c2cc(F)ccc2Br)o1 37729195 NIKAYOLXDOLAGM-UHFFFAOYSA-N 315.098 2.655 0 40 DFAB in-vitro CCc1noc(CN(C)C(=O)c2ccccc2Br)n1 60369668 CRBUBZKTRJKBNK-UHFFFAOYSA-N 324.178 2.667 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 3220299 QTMQYACAPAELBI-KCJUWKMLSA-N 316.184 2.809 0 40 DFAB O=C(COc1ccc(Cl)cc1)NCCCN1CCCCC1 10276728 OMNRLBZQQYRNMF-UHFFFAOYSA-N 310.825 2.711 0 40 DFAB CCN(C)[C@@H](C(=O)Nc1nc(C(C)C)n[nH]1)c1ccccc1 68344697 MXACZWSSAWTOND-CYBMUJFWSA-N 301.394 2.560 0 40 DFAB COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 12973664 CUFSRANIUFTHFF-UHFFFAOYSA-N 302.355 2.671 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 12900875 PTWPKXYGRMPQOL-RYUDHWBXSA-N 306.362 2.504 0 40 DFAB Clc1cc(Cl)c2nc(CNCCn3cccn3)cn2c1 72267765 PPGWTWZEBAZHED-UHFFFAOYSA-N 310.188 2.627 0 40 DFAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N 9303963 XZRNWUVEIPKBPV-UHFFFAOYSA-N 322.430 2.556 0 40 DFAB CCn1[nH]cc/c1=N\C(=O)Cc1coc2cc3c(cc12)CCC3 9314779 BFEXIRSZKMAWPY-LVZFUZTISA-N 309.369 2.741 0 40 DFAB O=C(C[C@@H](c1ccccc1)c1ccco1)N1C[C@@H]2CC[C@H](C1)N2 65397231 QTIOXAKAFZHXHD-BBWFWOEESA-N 310.397 2.764 0 40 DFAB C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2)CC(C)(C)O1 65502918 GTZVLCKKXBMKBO-CYBMUJFWSA-N 311.385 2.783 0 40 DFAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccccc1 14203611 YNLZOHFOEAWVND-DGCLKSJQSA-N 317.414 2.725 0 40 DFAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c1 6533289 RXZREQYDJQIEKN-SNVBAGLBSA-N 302.403 2.621 0 40 DFAB C[C@@H](OC(=O)c1ccncc1F)c1cn(-c2ccccc2)nn1 97100948 AIXLQYARDODPPT-LLVKDONJSA-N 312.304 2.719 0 40 DFAB CC(=O)c1ccc(NC(=O)c2cc(C)[nH]c(=O)c2)cc1Cl 97108185 IUJFYHVDRWJUPD-UHFFFAOYSA-N 304.733 2.792 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cc1cccs1)C2 97198474 OSIWVUXCUKFJGL-GFCCVEGCSA-N 317.458 2.916 0 40 DFAB Cc1cc(Br)ccc1NC(=O)CSCC(=O)O 6847257 BGZKJKROCSJTBC-UHFFFAOYSA-N 318.192 2.514 0 40 DFAB O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCCC1 6806942 LITAJPZTPXTIKJ-UHFFFAOYSA-N 306.369 2.899 0 40 DFAB COc1cc(OC)c(C[C@@H]2C(=O)Nc3ccccc32)c(OC)c1 15018046 RKVFTOAMHPYQKW-ZDUSSCGKSA-N 313.353 2.991 0 40 DFAB biogenic CC(C)c1ccc(-c2noc(CSc3nnnn3C)n2)cc1 7419641 CWMWNDVWEISZND-UHFFFAOYSA-N 316.390 2.676 0 40 DFAB Cc1nc(Cc2nnc(SC[C@@H]3CCCN(C)C3)o2)cs1 71804172 DRJHVGVYIXBYNC-LLVKDONJSA-N 324.475 2.859 0 40 DFAB Cc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1F 8082884 UZPJJCLITIKMHX-UHFFFAOYSA-N 301.243 2.988 0 40 DFAB O=C(Cc1csc(-c2ccccc2)n1)NN1CCCCC1 8390905 PAFCWQNIVVAHRQ-UHFFFAOYSA-N 301.415 2.870 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](n2cccn2)C1 69417933 KCTGAQPGJLOVOD-RDJZCZTQSA-N 313.401 2.652 0 40 DFAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc2c1ccn2C 69592486 UYTPEPSFRGLMMD-QZTJIDSGSA-N 311.429 2.877 0 40 DFAB CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CCN(C2CC2)C1 69679021 PCZRVPGDHGWNKN-GFCCVEGCSA-N 310.873 2.771 0 40 DFAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 69654933 KQYWLYZIVJVQPB-GFCCVEGCSA-N 319.405 2.641 0 40 DFAB COc1ccc(CNCc2ccc(OCC3CC3)nc2)cc1O 69776863 GBXBVCJLHKKQMT-UHFFFAOYSA-N 314.385 2.874 0 40 DFAB Cc1ccc(N2CCC[C@@H](NCc3ccc(Cl)o3)C2)nn1 69841491 SFEJSIZMTGTHHM-GFCCVEGCSA-N 306.797 2.790 0 40 DFAB CSc1ccc(C)c(C(=O)NCc2nncn2C(C)C)c1 69812537 FSXNPTOYEXIGBG-UHFFFAOYSA-N 304.419 2.819 0 40 DFAB Cc1nccc(C(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)n1 69948790 IHTWSOGMPZMXMT-CQSZACIVSA-N 313.405 2.582 0 40 DFAB Nc1nc(CSCC(=O)NC2CCCC2)nc2ccccc12 69973090 OMPXEWVDLGELFQ-UHFFFAOYSA-N 316.430 2.504 0 40 DFAB O=C(CNCc1cccn1Cc1ccccc1)NCc1ccco1 69977804 ZOERJEUKZZHYEA-UHFFFAOYSA-N 323.396 2.535 0 40 DFAB O=C(NCCCOCc1ccccc1)c1ccc2c(c1)OCO2 9154859 LWYJOZFZOVQMAR-UHFFFAOYSA-N 313.353 2.752 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 97049228 MFEADFIYOVEEPB-WMLDXEAASA-N 310.401 2.986 0 40 DFAB CCO[C@@H]1C[C@@H](NCC(=O)NCc2ccccc2)C1(CC)CC 97034461 UWXKODBGGQHZJE-IAGOWNOFSA-N 318.461 2.876 0 40 DFAB Cc1noc(COC(=O)c2cc(OC(C)(C)C)c(F)cc2N)n1 72296038 INDIXIIXPXMXLN-UHFFFAOYSA-N 323.324 2.634 0 40 DFAB Cc1cc(C)c(C(=O)N(C)c2ccc(OCCN(C)C)cc2)[nH]1 95415297 CUOPMWGVPFXZOA-UHFFFAOYSA-N 315.417 2.849 0 40 DFAB Cc1nc(C)c(CCNC(=O)[C@@H](C)N2CCCCCC2)s1 95962388 UJZZGVHATDJOND-CYBMUJFWSA-N 309.479 2.683 0 40 DFAB CN(CCc1nccs1)C(=O)C1=NO[C@H](c2ccccc2)C1 89346512 ZDZOBCPBYFSVHQ-AWEZNQCLSA-N 315.398 2.662 0 40 DFAB COC(=O)c1csc(NC(=O)c2ccc3[nH]cnc3c2)c1 89404447 SGPPPGQWJAKIRD-UHFFFAOYSA-N 301.327 2.663 0 40 DFAB Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1C 75117709 GYKRXEUDKHXXEW-UHFFFAOYSA-N 321.380 2.619 0 40 DFAB Cc1ccn2cc(C(=O)N[C@H](C)[C@H]3COc4ccccc43)nc2c1 89700884 UCDKWXVNOVMGGB-UKRRQHHQSA-N 321.380 2.937 0 40 DFAB CC(=O)Nc1nc(COc2cc(C)ccc2NC(C)=O)cs1 75582962 SPIRFXFOXNNFBX-UHFFFAOYSA-N 319.386 2.947 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3c(Cl)cccc32)C1 36358192 JFQBSWYRXIEKON-LLVKDONJSA-N 320.776 2.618 0 40 DFAB 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303.337 2.600 0 40 DFAB Cc1cc(CNC(=O)c2ccc(F)cc2Cl)nc(N(C)C)n1 189959270 BSPLWQWHFWWKCR-UHFFFAOYSA-N 322.771 2.574 0 40 DFAB CC(=O)N1CCC(c2cnc(N3CCCCCC3)cn2)CC1 72364801 IFLRYXHMDWNIBS-UHFFFAOYSA-N 302.422 2.583 0 40 DFAB CCn1ccnc1[C@@H](C)NC(=O)c1ccc2c(C)cc(O)nc2c1 565759135 DNEQNADPTOBADI-GFCCVEGCSA-N 324.384 2.956 0 40 DFAB Cc1cc(-c2cnc(N3CC[C@@H](O)[C@H](C)C3)nc2C2CC2)on1 72340362 TTZPKWJYKFRJBJ-QMTHXVAHSA-N 314.389 2.525 0 40 DFAB CSc1ccccc1S(=O)(=O)NCc1cccc(C)n1 187002435 KNUFTFDHNATARB-UHFFFAOYSA-N 308.428 2.590 0 40 DFAB CC(=O)Nc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1 222566546 ACWDNKVNXOXOGT-UHFFFAOYSA-N 310.357 2.873 0 40 DFAB C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 130257279 HATSDNFQIODLSE-HIFRSBDPSA-N 308.447 2.522 0 40 DFAB CCc1onc(C)c1C(=O)NC[C@H]1CCCCN1CC(C)C 195567605 LHHUJKJSILUDLM-CQSZACIVSA-N 307.438 2.786 0 40 DFAB Cc1ccc(CCC(=O)NCc2noc(-c3ccsc3)n2)o1 81933523 NZKCVVXCUCJBQE-UHFFFAOYSA-N 317.370 2.949 0 40 DFAB O=C(c1ncccc1O)N(Cc1ccc(O)cc1)Cc1ccco1 132318826 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CCS(=O)(=O)C[C@H](C)NCc1cc2cc(C)c(C)cc2o1 96453977 RPVQQDTXRWPRQY-ZDUSSCGKSA-N 309.431 2.962 0 40 DFAB O=C(NC1CCN(c2nccs2)CC1)c1cccc(F)c1 96099825 FCBRZRAXIPEHNU-UHFFFAOYSA-N 305.378 2.681 0 40 DFAB CCc1ccc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)o1 96215518 UUBRXIVEFUSTOV-SFHVURJKSA-N 319.449 2.812 0 40 DFAB Cc1ccc(CN2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 96219670 SLTHEGUMKPSSKK-HOCLYGCPSA-N 303.431 2.859 0 40 DFAB CC1(C)CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1(C)C 95425839 WUWFKQRPNGATDH-UHFFFAOYSA-N 304.365 2.971 0 40 DFAB O=C(N[C@H]1CCc2ccccc21)N1CC[C@H](Oc2cccnc2)C1 96474750 WQKYCAGHIFSUHY-WMZOPIPTSA-N 323.396 2.932 0 40 DFAB Cc1cc(N(C)C)nc(CNC(=O)c2ccc(F)cc2Cl)n1 96120963 GNGMCXZWXQTJPT-UHFFFAOYSA-N 322.771 2.574 0 40 DFAB O=C(c1cccs1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96064012 YCWLMGIEGSGZOR-LSDHHAIUSA-N 313.426 2.632 0 40 DFAB O=C(c1cocn1)N1CC2(C[C@H](OCC3CCCC3)CS2)C1 247862615 NHENUGQYMWQTFE-ZDUSSCGKSA-N 322.430 2.582 0 40 DFAB COc1ccccc1CN1CC2(C1)OCC[C@@H]2COCC1CC1 248121376 DWKKIUHZPHKQCX-QGZVFWFLSA-N 317.429 2.713 0 40 DFAB COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C[C@@H]1C 248972003 SLVOPWLGOCXWOW-VHRBIJSZSA-N 322.405 2.798 0 40 DFAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 257230423 GCGCIGDIKOACRQ-LBPRGKRZSA-N 304.419 2.698 0 40 DFAB C[C@H](C(=O)N1CC[C@H](C)[C@H]1C)[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H]1C 252587696 ZXNYITSZMOXYCQ-QTKYJZQCSA-N 308.466 2.772 0 40 DFAB Cc1noc([C@H](C)Nc2ccc(CC(=O)NC(C)C)cc2)n1 27007959 PEISVQAFZYFOCQ-NSHDSACASA-N 302.378 2.618 0 40 DFAB CC(=O)N1CC[C@@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257273762 NICDTRBLPXDHRY-HNNXBMFYSA-N 324.380 2.858 0 40 DFAB Cc1ccc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)s1 257341361 ZKADMOFKQJZSHS-GFCCVEGCSA-N 317.414 2.671 0 40 DFAB O=C(NCCOc1ccc(F)cc1F)N1CC(CC2CC2)C1 621456203 AHODWBUCFDDIQF-UHFFFAOYSA-N 310.344 2.785 0 40 DFAB CCN(C(=O)c1nn(CC(F)(F)F)cc1N)c1ccccc1 685936121 FYZHUKOOWIURLK-UHFFFAOYSA-N 312.295 2.694 0 40 DFAB CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 69528688 CAIPCIQYJZSUCF-CQSZACIVSA-N 306.381 2.677 0 40 DFAB COc1ccccc1CCN(C)CC(=O)Nc1nc(C)cs1 69777373 QAYLMLBVVXHBFM-UHFFFAOYSA-N 319.430 2.573 0 40 DFAB COC[C@@H](C)N(C)C(=O)c1csc(-c2ccc(OC)cc2)n1 44970018 NVILGMMXMVBAIY-LLVKDONJSA-N 320.414 2.926 0 40 DFAB C[C@@H](NC(=O)NCc1cnn(C)c1)c1ccc2c(c1)CCCC2 54809370 OKHICKLYKHUNQH-CYBMUJFWSA-N 312.417 2.859 0 40 DFAB C[C@@H](CNC(=O)N1CCC[C@@H](N(C)C)C1)Cc1cccs1 74628639 URPOYASVZPZHEK-ZIAGYGMSSA-N 309.479 2.662 0 40 DFAB CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1 75460944 WTDFROMPUJUEHQ-UHFFFAOYSA-N 322.368 2.596 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)CCCc2ccccn2)no1 76043968 CCVNPTFZFQZRKN-AWEZNQCLSA-N 314.389 2.713 0 40 DFAB COc1ccccc1O[C@H](C)CNC(=O)c1ccnc(Cl)c1 81098748 GFVVGOIFGLUFGD-LLVKDONJSA-N 320.776 2.941 0 40 DFAB CCc1nnc(SCc2ccc(Br)cc2)n1N 5413118 GBFGDVQMWRRBPG-UHFFFAOYSA-N 313.224 2.609 0 40 DFAB Cc1c(-c2ccc(NS(C)(=O)=O)cc2)nc2ccccn12 12529570 OPDSVTVEKLQVJR-UHFFFAOYSA-N 301.371 2.681 0 40 DFAB Nc1ccc(CNS(=O)(=O)c2cccc(F)c2)c(Cl)c1 158440014 ZWRWGHWRSYNDDC-UHFFFAOYSA-N 314.769 2.540 0 40 DFAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 571968 DWDOAKYBPRJXAA-UHFFFAOYSA-N 311.790 2.827 0 40 DFAB CC(C)CN1CCC(Cc2cc(-c3nccn3C)ncn2)CC1 1848353153 SNHKTGXHXCVXQS-UHFFFAOYSA-N 313.449 2.788 0 40 DFAB O=C(COc1cc(Cl)ccc1Cl)NN1CCCCC1 20497449 WMBXRUFVBQGQJY-UHFFFAOYSA-N 303.189 2.889 0 40 DFAB CC(C)(C)NC(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888849815 RAENXQSMFANQFV-GFCCVEGCSA-N 318.421 2.563 0 40 DFAB C[C@@H]1CCc2sc(C(=O)N(C)Cc3cnn(C)c3)cc2C1 24476524 UHUUFZODPVTDSU-LLVKDONJSA-N 303.431 2.879 0 40 DFAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)CCc3ccc[nH]3)C[C@@H]21 1565544106 DEQKAMUOTSHRKZ-CZUORRHYSA-N 324.428 2.659 0 40 DFAB O=C(CCc1ccccc1)NC[C@H]1COC2(CCCCC2)O1 4941187 OMMYVDOEBRSPHR-INIZCTEOSA-N 303.402 2.811 0 40 DFAB Cc1ccc2ncc(C(=O)Nc3ccc(F)c(F)c3)c(=O)n2c1 9830073 HOMDAZPUWJCCCM-UHFFFAOYSA-N 315.279 2.533 0 40 DFAB O=C(Nc1ccccc1NC(=O)c1ccno1)c1ccccn1 38678722 ZAEGQRBBRWCWJL-UHFFFAOYSA-N 308.297 2.574 0 40 DFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](O)C3)s2)o1 31220860 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O=C(c1cnccn1)N1CCn2cccc2[C@@H]1c1ccccc1 44575748 ZOFONVOPCVWBGK-KRWDZBQOSA-N 304.353 2.524 0 40 DFAB CCn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 8091039 PYKZYNLASJLUKK-UHFFFAOYSA-N 323.356 2.524 0 40 DFAB CCOC(=O)[C@H](CN)[C@@]1(N2CCCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635798 ZVWBFUVUIJMJET-SAKMYQHLSA-N 322.493 2.805 0 40 DFAB Cn1ncc2c(NCC3(c4ccccc4)CCOCC3)ncnc21 44933885 OMKATMVNHKZATG-UHFFFAOYSA-N 323.400 2.524 0 40 DFAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 44979477 WWUPMZJGWCQSNR-DOTOQJQBSA-N 316.445 2.915 0 40 DFAB CCC1=C(C(=O)OC)[C@@H](c2ccc(SC)cc2)NC(=S)N1 9724476 XOXKEGYCEBTZKN-CYBMUJFWSA-N 322.455 2.764 0 40 DFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 58407709 ZIWUSUAHLGHDBB-XLWJZTARSA-N 302.484 2.623 0 40 DFAB COCc1cccc(CNC(=O)C2=Cc3ccccc3OC2)c1 58426663 IFZNSSRTQPASBO-UHFFFAOYSA-N 309.365 2.925 0 40 DFAB CC[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccccc1 10649703 WOLUIHOKQOCGGP-CQSZACIVSA-N 316.430 2.800 0 40 DFAB Cc1nn(-c2nc3c(C)ccc(C)c3s2)c(C)c1C(N)=O 57351381 AEHKDAHHKZXNFO-UHFFFAOYSA-N 300.387 2.815 0 40 DFAB COc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cn1 29352957 FIFPJFNTFFBKJJ-UHFFFAOYSA-N 300.343 2.794 0 40 DFAB O=C(O)[C@H]1CCCN(C(=O)c2csc(-c3ccsc3)n2)C1 36974569 SIJHHXMMNZZEKD-VIFPVBQESA-N 322.411 2.808 0 40 DFAB CN(Cc1ccccc1)C(=O)c1ccccc1SCC(N)=O 29485458 KGJKWCVBVGHPJD-UHFFFAOYSA-N 314.410 2.536 0 40 DFAB Cc1c(Br)c2ccccc2n1CC(=O)NC1CC1 47245086 BGRGITKJQSNCEP-UHFFFAOYSA-N 307.191 2.991 0 40 DFAB COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)cc1 101275998 ZJIMNHWRFRABSZ-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB O=C(OCC(=O)N1CCCC1)c1cc(Cl)ccc1Cl 3237794 LJPSIRUWVWPRMZ-UHFFFAOYSA-N 302.157 2.773 0 40 DFAB O=C(CNC(=O)c1ccccc1)Nc1cccc2c1CCCC2 12749118 SKNFCHSGLPCWBL-UHFFFAOYSA-N 308.381 2.934 0 40 DFAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2C)n1C 3360664 KKEXXYHPZGDQBM-UHFFFAOYSA-N 318.446 2.751 0 40 DFAB CCc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 3505358 XPDGCQQFRWDJLS-UHFFFAOYSA-N 314.385 2.686 0 40 DFAB CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12900884 PTWPKXYGRMPQOL-TXEJJXNPSA-N 306.362 2.504 0 40 DFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 13005342 BPEBMMXXBVZRRA-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB CC[C@H](C)[C@H](NC(=O)NCCCc1ccccc1)C(=O)OC 13110747 WGJHDUHWWIVSPF-ZFWWWQNUSA-N 306.406 2.506 0 40 DFAB Nc1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 3885356 KLBHHGHDAPFCRH-UHFFFAOYSA-N 300.742 2.862 0 40 DFAB O=C(Nc1ccc(-n2cnnn2)cc1)Nc1cccc(Cl)c1 9154320 KHRSKDXPQPVRLM-UHFFFAOYSA-N 314.736 2.960 0 40 DFAB CC(=O)N[C@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)C(C)C 39975634 NHJCSLNFBRJQCS-HNNXBMFYSA-N 306.406 2.789 0 40 DFAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCO3)o1 39972299 YTSDDLHZXAIRCN-LLVKDONJSA-N 307.371 2.562 0 40 DFAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2-n2cnnn2)c1 14573459 CHSMTFYCZSAOJS-CQSZACIVSA-N 321.384 2.770 0 40 DFAB CC(C)(C)NC(=O)NC(=O)CNc1ccc(C(F)(F)F)cc1 15291553 BBSSKZJMJNCRPQ-UHFFFAOYSA-N 317.311 2.742 0 40 DFAB CCSc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1 68757845 CIJJOGPSKSCERJ-UHFFFAOYSA-N 317.296 2.583 0 40 DFAB CC(C)[C@@](C)(O)CNC(=O)c1ccc(Br)s1 96441129 FQHXCHZSDYLSMS-NSHDSACASA-N 306.225 2.647 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 8113252 KNTBJRGCWCMKRS-CQSZACIVSA-N 311.337 2.663 0 40 DFAB CCO[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 69163089 QFYIDXGVANBCLR-IRXDYDNUSA-N 320.408 2.646 0 40 DFAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 70037831 OJHKAGGSIOJPMU-IRXDYDNUSA-N 324.428 2.776 0 40 DFAB COc1ccc(F)cc1CN1CCC[C@@H]1Cn1nc(C)nc1C 69490320 KBQDSJFAEJJCJL-MRXNPFEDSA-N 318.396 2.707 0 40 DFAB O=C(CSCc1nc2ccccc2[nH]1)NCc1ccoc1 69520106 IRLTXTRFTKUOKL-UHFFFAOYSA-N 301.371 2.706 0 40 DFAB O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)NCC(F)(F)F 69591948 YWOADFCNOZULGP-AWEZNQCLSA-N 318.314 2.935 0 40 DFAB CCCNC(=O)C1(NC(=O)c2ccccc2F)CCCCC1 69530338 ZTEYTSGENLJKHY-UHFFFAOYSA-N 306.381 2.785 0 40 DFAB Cc1ccc(N2CCC[C@@H](Nc3cnc4ccccc4n3)C2)nn1 69842892 AKISCVYAWPVGOX-CQSZACIVSA-N 320.400 2.809 0 40 DFAB CCc1nc2n(n1)C[C@@H](Nc1ccnc(-c3ccccc3)n1)CC2 69808265 XVYKKTJJAQLDHR-AWEZNQCLSA-N 320.400 2.724 0 40 DFAB CCc1ncc(CNCCOc2ccc3c(c2)OCO3)s1 84016734 WLRBLLRXCCJLSY-UHFFFAOYSA-N 306.387 2.603 0 40 DFAB Cc1nc(-c2c[nH]c(C(=O)NO[C@H]3CCCCO3)c2)cs1 97000382 SORDPIKGAUEIHH-ZDUSSCGKSA-N 307.375 2.635 0 40 DFAB C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)c1cccs1 97017915 JHEIDPNAGHPDMK-RISCZKNCSA-N 315.394 2.890 0 40 DFAB O=C(NCc1nccn1Cc1ccccc1)c1cccc(O)c1 97059500 WBSCCTYFVLILCZ-UHFFFAOYSA-N 307.353 2.567 0 40 DFAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)on1 72295617 DKSKXXXCUJKSRB-VXGBXAGGSA-N 302.378 2.931 0 40 DFAB O=S(=O)(C[C@H]1CCCOC1)N1CCC(c2ccccc2)CC1 97166192 BVBXNLFMNKZSHN-HNNXBMFYSA-N 323.458 2.622 0 40 DFAB COCc1cc(NC(=O)N[C@@H]2CCCc3sccc32)ncn1 97161748 XIXGXADNNDWJME-GFCCVEGCSA-N 318.402 2.884 0 40 DFAB O=C(O)C[C@H](NC(=O)c1cscn1)c1ccc(Cl)s1 97231252 JTPOOIURWMPQKQ-LURJTMIESA-N 316.791 2.804 0 40 DFAB Cn1cc(-c2nnc3sc(-c4ccccc4Cl)nn23)cn1 72405648 UMKKULYYCSLRBL-UHFFFAOYSA-N 316.777 2.907 0 40 DFAB Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cccnc2C)c1 97375154 GAEKWASFJWVIKZ-UHFFFAOYSA-N 321.384 2.595 0 40 DFAB CCCCc1noc([C@H](C)N[C@H]2CCN(C(C)=O)C[C@@H]2CC)n1 95402476 FZKSXYRMTRJKMZ-QEJZJMRPSA-N 322.453 2.710 0 40 DFAB COCc1cc([C@H](C)N[C@@H](C)c2cnn(C)c2)ccc1OC 95968467 BXSFSJCQYHPYDT-STQMWFEESA-N 303.406 2.987 0 40 DFAB Cc1cc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)oc1C 95971299 HWSNIWVFRDBOPB-UHFFFAOYSA-N 306.406 2.711 0 40 DFAB C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)cc1 95980970 XPWPHDFGYARZQO-LBPRGKRZSA-N 315.344 2.852 0 40 DFAB COc1cccnc1N(C)C(=O)COc1cc(C)ccc1C 89623653 QQUDNYXPAQBMFL-UHFFFAOYSA-N 300.358 2.749 0 40 DFAB O=C(NCc1ccsc1)N[C@@H]1CCO[C@]2(CCSC2)C1 89885454 SKGORLJIRTZUEN-TZMCWYRMSA-N 312.460 2.602 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H](CN2CCOCC2)C1 75498055 YOSZPHKQSPOHCH-ZDUSSCGKSA-N 323.824 2.526 0 40 DFAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1F 89949083 SSLIANGJUBGBFZ-CXAGYDPISA-N 304.409 2.952 0 40 DFAB Cc1cccn2c(=O)cc(CN3c4ccccc4C[C@@H]3C)nc12 32510346 ZMYXUXQDCMKZPR-AWEZNQCLSA-N 305.381 2.954 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H](COCc1ccccc1)C(=O)O 2391120 GEKRSZPFMBQNCM-ZDUSSCGKSA-N 309.362 2.523 0 40 DFAB biogenic Cc1nc(CS[C@@H]2CCN(c3ccccc3F)C2=O)no1 79028207 UJWNKDHLKVQURQ-GFCCVEGCSA-N 307.350 2.556 0 40 DFAB Cc1ccccc1CN1CCC(C(=O)NCc2ccncc2)CC1 39750873 OIWBKYDUSYWQDE-UHFFFAOYSA-N 323.440 2.918 0 40 DFAB CCN(CC)C(=O)COc1ccc(NC(=O)C2CC2)cc1Cl 32817095 DUTXDFVZGOQIPJ-UHFFFAOYSA-N 324.808 2.936 0 40 DFAB Cc1nc(N2CCCC[C@@H]2CC(N)=O)c2c(C)csc2n1 128607726 NABPEQMDDRIOGI-LLVKDONJSA-N 304.419 2.542 0 40 DFAB Cc1nccn1-c1cccc([C@@H]2CCCN(c3cnccn3)C2)n1 72355685 CMBGSZBQBRFQLM-OAHLLOKOSA-N 320.400 2.750 0 40 DFAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 222883687 QQUQRPFEJZZDRC-LSDHHAIUSA-N 300.431 2.803 0 40 DFAB COc1cc(OC)cc(OCC(=O)Nc2ccc(F)cc2F)c1 190096513 MXPAYIVYIYBFAY-UHFFFAOYSA-N 323.295 3.000 0 40 DFAB CN1CCN(CCCSc2ccnc3ccccc23)CC1 130788351 QZDWPLHFACGGCH-UHFFFAOYSA-N 301.459 2.964 0 40 DFAB CCOc1ccc(CSc2nnnn2-c2ccccc2)nc1 83202539 UISWXGUQCJIVHH-UHFFFAOYSA-N 313.386 2.748 0 40 DFAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc2oc(=O)n(C)c2c1 87232848 MMUYYHKCIBUZJE-GFCCVEGCSA-N 320.389 2.911 0 40 DFAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cn1 225914440 ZPEYCICYSMQLTO-UHFFFAOYSA-N 322.405 2.843 0 40 DFAB O=C(O[C@@H]1CCOC1)c1cccc(-c2noc(C3CC3)n2)c1 96442026 KIGXLGJVMQSQIO-CYBMUJFWSA-N 300.314 2.560 0 40 DFAB Cc1nc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)cs1 96041585 GBEZVWJRPVDKGD-ARFHVFGLSA-N 308.447 2.610 0 40 DFAB O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 96346632 MCOFYCMKEYZMBP-WCABBAIRSA-N 308.592 2.595 0 40 DFAB COc1cc(CNC(=O)/C=C/c2ccnc3ccccc23)ccn1 96409821 UIQRTNWANWEKGL-VOTSOKGWSA-N 319.364 2.968 0 40 DFAB O=C(Nc1ccc(F)cc1)N1CC[C@H](Oc2ccccn2)C1 238813731 AYCPYVDVFWJRQY-AWEZNQCLSA-N 301.321 2.906 0 40 DFAB CC(C)NC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccco3)C2)C1 96241261 GPSOAUJHSQXHFO-DOTOQJQBSA-N 323.412 2.634 0 40 DFAB C[C@@H](NC(=O)N(C)C[C@H]1CCOC1)c1cc(F)c(F)c(F)c1 95408173 XBZINOXQHFYFJN-NXEZZACHSA-N 316.323 2.843 0 40 DFAB COC[C@@H]1CCC2(CCN(C(=O)c3ccccc3F)CC2)N1C 96208700 GGJJFRSEZLFAGJ-AWEZNQCLSA-N 320.408 2.541 0 40 DFAB CC(C)C[C@H](C)OC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 583651561 OHNLKFBCPLCTIM-JSGCOSHPSA-N 310.438 2.794 0 40 DFAB CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCN(CC(F)(F)F)C1=O 249502645 JFPGAIFIPBSPRP-SDDRHHMPSA-N 324.412 2.804 0 40 DFAB C[C@@H](CNC(=O)Oc1ccccc1)NC(=O)Oc1ccccc1 255187867 HGIXTMARIYMPJT-ZDUSSCGKSA-N 314.341 2.952 0 40 DFAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2cnccn2)CC1 257303425 SHFIKYUOLBCZDQ-UHFFFAOYSA-N 322.821 2.780 0 40 DFAB Cn1ccnc1-c1cncc([C@H]2CCCN(c3ccccn3)C2)n1 257287908 PRYCSHQIQBHVFH-AWEZNQCLSA-N 320.400 2.656 0 40 DFAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)n(C)n1 257293723 QQWLOAJOKPLBDU-HNNXBMFYSA-N 315.421 2.709 0 40 DFAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)COC2CCCC2)C1 65140329 GGHLOEOQJFUABA-NVXWUHKLSA-N 316.445 2.897 0 40 DFAB CC(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)n2ccnc2n1 257304801 SNERPNNDZOXSEA-LLVKDONJSA-N 312.295 2.822 0 40 DFAB Clc1nc2sc(-n3ccc(=[N+]4CCCC4)cc3)nc2s1 255187235 CEMJPLJGDIQGHG-UHFFFAOYSA-N 323.854 2.763 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C)N2CCCC2)cc1 22515994 LKSWKIDHUNZFDW-XKQJLSEDSA-N 302.418 2.604 0 40 DFAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cccnc2)cc1 280550329 JBBBQHJHIGLTDE-DLBZAZTESA-N 311.385 2.836 0 40 DFAB O[C@@H]1[C@@H](NCC2CCOCC2)CCC[C@H]1Oc1cccc(F)c1 585289821 ODDOVNBGTKKXOV-RCCFBDPRSA-N 323.408 2.503 0 40 DFAB Cc1nc2c(NC(=O)N(C)CCc3cnccn3)cccc2o1 585141369 UOAPQWFRZFYPJW-UHFFFAOYSA-N 311.345 2.633 0 40 DFAB CCc1nnsc1C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1 65614906 KLWCXPIATTYCJI-UHFFFAOYSA-N 319.386 2.756 0 40 DFAB CC(C)c1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)n[nH]1 66842087 NFLZQPOSQZYJBD-UHFFFAOYSA-N 313.361 2.529 0 40 DFAB Clc1cnc(N2CCC[C@H](COc3ccncc3)C2)nc1 1776008863 QANCSVTZUCHYSU-LBPRGKRZSA-N 304.781 2.820 0 40 DFAB CCOC[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)C1 81614851 PZFFHZDGRFIXIR-AWEZNQCLSA-N 317.433 2.959 0 40 DFAB O=C(Nc1cccc(CCCO)c1)[C@@H]1OCCc2ccccc21 97082000 HXWYCJIRIAISDC-GOSISDBHSA-N 311.381 2.864 0 40 DFAB Nc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)O 15021044 MNBSBKFCJJWHEB-UHFFFAOYSA-N 317.775 2.515 0 40 DFAB O=C(COc1ccccc1F)Nc1nnc(-c2ccco2)s1 13552672 WZDPIXHHBXUVGY-UHFFFAOYSA-N 319.317 2.955 0 40 DFAB Cc1cccc2c(=O)c(NC(=O)NCc3ccncc3)c[nH]c12 13565889 IPNZLHKQKZJMOV-UHFFFAOYSA-N 308.341 2.553 0 40 DFAB Cc1ncnc(C(=O)Nc2nc(-c3ccccn3)cs2)c1C 1888879563 HOQNHAIDMSACQN-UHFFFAOYSA-N 311.370 2.864 0 40 DFAB CC(=O)NCCc1ccc(NC(C)=O)c(Cc2ccccc2)c1 1888921705 SWOJQDNKFXEFIP-UHFFFAOYSA-N 310.397 2.914 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 25445633 KBPKXVYDSVDBMR-UHFFFAOYSA-N 321.450 2.658 0 40 DFAB O=C(NCc1ccc(C2CC2)nc1)c1ccc2nsnc2c1 1565523265 JHMRWSKIWBTWJY-UHFFFAOYSA-N 310.382 2.894 0 40 DFAB CCc1cc(N2CCC[C@@H](COc3nccs3)C2)ncn1 2298187866 HNNSDGOCJZDSKY-GFCCVEGCSA-N 304.419 2.791 0 40 DFAB CC(C)[C@H](NC(=O)CCn1ccc2c(Cl)cccc21)C(=O)O 40312922 ZPHHNHKOMMOCHU-HNNXBMFYSA-N 322.792 2.910 0 40 DFAB biogenic Cc1csc2nc(CNc3cc(F)cc(F)c3)cc(=O)n12 40477317 DOAHYLGMKPZYAW-UHFFFAOYSA-N 307.325 2.955 0 40 DFAB Cn1cc(NC(=O)CCOc2cccc3c2OC(C)(C)C3)cn1 40523073 UVBRBFGEHJSRQV-UHFFFAOYSA-N 315.373 2.541 0 40 DFAB CCN(CC(=O)NC)C(=O)c1oc2ccc(Cl)cc2c1C 40539460 CJKVJADOWNNQTK-UHFFFAOYSA-N 308.765 2.603 0 40 DFAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 224545 QLVCKXSSVBGBDJ-UHFFFAOYSA-N 314.360 2.797 0 40 DFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(C)noc1C 32654886 GPEYRZWZHHGMJK-UHFFFAOYSA-N 312.373 2.550 0 40 DFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cc(F)cc2cccnc12 103104783 ZSMGWEXOJQYOFK-GJZGRUSLSA-N 310.328 2.825 0 40 DFAB Cc1cccc(OCCCNC(=O)c2c(C)nn(C)c2C)c1 42002130 ZTSYPZBHIDTPKS-UHFFFAOYSA-N 301.390 2.544 0 40 DFAB Cc1nc(CNS(=O)(=O)c2ccc(F)cc2Cl)cs1 42114417 SWQYJHAVPKCXIF-UHFFFAOYSA-N 320.798 2.723 0 40 DFAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 23701716 RHJPCVSJFNYZGY-MRXNPFEDSA-N 324.424 2.613 0 40 DFAB Cc1n[nH]c(=O)nc1Nc1ccc(OCc2ccccc2)cc1 114373 WQYOHKXDQSIING-UHFFFAOYSA-N 308.341 2.796 0 40 DFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(C)C 182659 FRXDGBLUXLVTJK-HNNXBMFYSA-N 318.373 2.665 0 40 DFAB Cc1ccc(-c2n[nH]cc2CNC2CCN(C3CC3)CC2)o1 42960742 HJOYESDDYDINIB-UHFFFAOYSA-N 300.406 2.695 0 40 DFAB COc1cccc(C(=O)c2ccc(CN3CCOCC3)cc2)c1 43210823 DNLCAWGUXUDRSG-UHFFFAOYSA-N 311.381 2.758 0 40 DFAB CCCn1ccnc1-c1cccc(NC(=O)N2CC[C@@H](O)C2)c1 96009320 LBIIULNUCZBEFJ-OAHLLOKOSA-N 314.389 2.559 0 40 DFAB CC(C)CNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 24964631 AEOCVKMDTAMTID-GJZGRUSLSA-N 304.434 2.682 0 40 DFAB CC(=O)N(C)Cc1cccc(NC(=O)c2cc(F)ccc2O)c1 79026249 QSXIOUBFZBZTKJ-UHFFFAOYSA-N 316.332 2.762 0 40 DFAB CCCCN(C)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O 24924972 OMUCEMJOMQOOII-UHFFFAOYSA-N 319.430 2.708 0 40 DFAB COc1cccc(N2CC[C@@H](CNC(=O)C[C@@H]3C=CCC3)C2)c1 106645765 GISGABLSVYRIQG-CVEARBPZSA-N 314.429 2.994 0 40 DFAB O=C(Cc1ccccc1)NCC[S@](=O)c1ccc(Cl)cc1 1404448 QHHSPKCKLQDIDS-OAQYLSRUSA-N 321.829 2.807 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ccccn1 62865601 BSZNYVLAPXURHP-UHFFFAOYSA-N 312.369 2.792 0 40 DFAB Cc1cccc(-c2noc(CN3CC[C@@H]4CCN(C)C[C@H]43)n2)c1 108382371 XVMADDGUAGBQAP-GOEBONIOSA-N 312.417 2.571 0 40 DFAB COC(=O)c1sccc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1 108367582 LRANPBAGKDBPDV-TZMCWYRMSA-N 319.430 2.814 0 40 DFAB CCSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 57945148 WWWBWGMWZPRYNX-UHFFFAOYSA-N 304.419 2.524 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 10025932 XDWJLNPBRJNTMD-UHFFFAOYSA-N 324.336 2.610 0 40 DFAB CC1CCC(NC(=O)c2ccccc2SCC(N)=O)CC1 44874519 OAMPGOKIYAYLLV-UHFFFAOYSA-N 306.431 2.573 0 40 DFAB Cc1ccsc1C(=O)NC[C@@H](O)CO[C@@H](C)c1ccccc1 58248858 LYHFZCMGKDYAAQ-DZGCQCFKSA-N 319.426 2.925 0 40 DFAB COCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 22514239 XNEROTRNYHBACL-UHFFFAOYSA-N 321.398 2.794 0 40 DFAB C[C@H](NC(=O)Cc1ccccc1F)c1nnc2n1CCCCC2 29901643 XUJVHTINJYMBKA-LBPRGKRZSA-N 316.380 2.564 0 40 DFAB CCc1cccc2c(C(=O)CSc3nncn3C)c[nH]c12 2664238 CRKRTOFODBJDPH-UHFFFAOYSA-N 300.387 2.834 0 40 DFAB O[C@]1(c2cccs2)C[N+]2=C(SCC2)N1c1ccccc1 3231278 GDGGIRIGMGBJQL-HNNXBMFYSA-N 303.432 2.529 0 40 DFAB COc1cc(OC)c2[nH]c(C(=O)OCc3cc(C)on3)cc2c1 48234388 ILSZABZKEFAFGN-UHFFFAOYSA-N 316.313 2.839 0 40 DFAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC(=O)O 20737259 DLHDZVBKZSFQOB-UHFFFAOYSA-N 310.762 2.586 0 40 DFAB CCOc1cc(C(=O)CCC(=O)NCc2ccco2)ccc1O 3302152 DLFMRQIBISCNGH-UHFFFAOYSA-N 317.341 2.663 0 40 DFAB COc1ccc(C(C)=O)cc1COc1cc(C)ccc1C(N)=O 12847551 SMHQGTVWMJCGNP-UHFFFAOYSA-N 313.353 2.884 0 40 DFAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)s1 3416892 DSXIWYDOJQLVJS-QMMMGPOBSA-N 311.407 2.955 0 40 DFAB Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc3[nH]ccc23)CC1 93455101 AKDZJJGPNCLUIM-SFHVURJKSA-N 324.428 2.847 0 40 DFAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1ccco1 96118088 DBTLKQMZOAAMLE-UHFFFAOYSA-N 311.341 2.509 0 40 DFAB C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(CO)o1 93611370 BJRVDYDMYVUVIU-INIZCTEOSA-N 314.429 2.868 0 40 DFAB CC(C)c1nc2ccc(C(=O)c3ccccc3O)cc2c(=O)[nH]1 13145928 TVDSEIFFSBZDQH-UHFFFAOYSA-N 308.337 2.983 0 40 DFAB OCCSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 9322919 JZJHPCMMKHKUOZ-UHFFFAOYSA-N 324.837 2.605 0 40 DFAB C[C@H]1CN(c2cnnc(O)c2Cl)C[C@@H](c2ccccc2)O1 63254966 AZYJEZNUVXYFQA-GWCFXTLKSA-N 305.765 2.802 0 40 DFAB Cc1cc(C(=O)CSc2nnc(N)[nH]2)c(C)n1CCC(C)C 9376103 FWVKQWDPFNLQBD-UHFFFAOYSA-N 321.450 2.826 0 40 DFAB CC[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1 4107615 ICSBKKIWEOGIFU-HNNXBMFYSA-N 310.353 2.829 0 40 DFAB O=C(Cn1ccnc1-c1ccncc1)N1CCCc2ccccc21 95464711 IXBDGGNJUUWEBT-UHFFFAOYSA-N 318.380 2.925 0 40 DFAB O=C(CNc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 5333206 CJJCOCKJMFIVPR-UHFFFAOYSA-N 302.305 2.648 0 40 DFAB CCO[C@@H](C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccccc1 65611357 KXRPQLQQMOSNMM-IAGOWNOFSA-N 313.401 2.824 0 40 DFAB C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(F)cc1)C2=O 4514789 NWHJIEAICFOYKL-SJCJKPOMSA-N 320.364 2.705 0 40 DFAB C[C@H]1CCO[C@H]1C(=O)N(c1cccc(F)c1)C1CCOCC1 96494767 LROMRUIGQBPWRX-BLLLJJGKSA-N 307.365 2.763 0 40 DFAB CCOc1ncccc1C(=O)Oc1ccc(NC(C)=O)cc1 14628115 KFWKZBDXBLXXEP-UHFFFAOYSA-N 300.314 2.658 0 40 DFAB CCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)cc1 67262084 MKYRQPPVJASXQI-UHFFFAOYSA-N 324.359 2.899 0 40 DFAB O=C(Nc1ccc2cn[nH]c2c1)[C@@H](c1ccccc1)n1cccn1 68098198 JQALKTDPZPCQKP-QGZVFWFLSA-N 317.352 2.988 0 40 DFAB COc1ccccc1OCCC(=O)NCc1ccccc1F 15976751 QANAYIONBCRLFT-UHFFFAOYSA-N 303.333 2.920 0 40 DFAB COc1ccc(NC(=O)CNc2ccccc2F)c(OC)c1 7972185 OMNYRJLEMRSJDZ-UHFFFAOYSA-N 304.321 2.894 0 40 DFAB CCCOc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 69324964 KTSWMCPTXAWCAH-HNNXBMFYSA-N 314.389 2.544 0 40 DFAB COC(=O)C1(c2ccccc2)CCN(CCc2ccncc2)CC1 69377192 AJGOGWZGCIDWLT-UHFFFAOYSA-N 324.424 2.831 0 40 DFAB O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@@H](O)C1 88405256 OPWNJFBXSGFXOH-MRVPVSSYSA-N 319.586 2.701 0 40 DFAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(N)=O 69535919 VHORGYFQRDONEW-SWLSCSKDSA-N 314.410 2.510 0 40 DFAB C[C@@H](c1ccncc1)N(C)C(=O)CNC(=O)CC1CCCCC1 69779440 SPHAHXIWHBXVIR-AWEZNQCLSA-N 317.433 2.688 0 40 DFAB CCN(CC)C(=O)CCC1CCN(C(=O)c2ccncc2)CC1 183938352 OMZVIPLGKTXYJD-UHFFFAOYSA-N 317.433 2.582 0 40 DFAB CC(=O)NC[C@H]1CCCN([C@@H](C)CCc2cccc(F)c2)C1 97084198 MNBHNHRHTMOSGU-WMLDXEAASA-N 306.425 2.995 0 40 DFAB Cc1nc([C@H]2CCCN(C(=O)CCc3cccs3)C2)no1 72231959 SHLAGHYGHNHNNM-LBPRGKRZSA-N 305.403 2.778 0 40 DFAB C[C@@H](c1ccsc1)N1CCN(C(=O)c2cscn2)CC1 97143210 CJJZXYXCNFOBGZ-NSHDSACASA-N 307.444 2.724 0 40 DFAB O=C(C[C@@H]1CCCN1C(=O)c1ncccc1O)c1cccs1 97141382 MGHAXDFHFVAIJJ-NSHDSACASA-N 316.382 2.726 0 40 DFAB CCOc1cc(C(=O)NCc2nc(C)c(C)o2)cc(Cl)c1O 97140449 NMZDDMHKPJECER-UHFFFAOYSA-N 324.764 2.979 0 40 DFAB CCC(CC)(CNCCOc1ccccc1OC)C(=O)OC 89943048 MGYOYZFGDYPNFA-UHFFFAOYSA-N 309.406 2.643 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H](C)n1ccnc1 75602360 COLMQLVQQQBZQD-VXGBXAGGSA-N 321.812 2.503 0 40 DFAB CCc1nc([C@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 76044048 XUWXPDIZADPXKE-BXKDBHETSA-N 318.377 2.704 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1C[C@H](C)O[C@H](C)C1 20887596 LMVVDHPZFRUDII-BETUJISGSA-N 313.401 2.739 0 40 DFAB O=C(O[C@H]1CCSC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 66730398 IXLSDORHCOSYOR-CABCVRRESA-N 319.426 2.588 0 40 DFAB O=S(=O)(c1ccc(Cl)cc1)N1CCOc2ccccc21 30581883 VGJJIANPWGREHO-UHFFFAOYSA-N 309.774 2.928 0 40 DFAB OC1(CN2CCC(c3n[nH]c4ncccc34)CC2)CCCCC1 72367428 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225243356 DCDLRNIYGOUZPB-MDWZMJQESA-N 305.334 2.769 0 40 DFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC(C)C 224482015 RAIHIGMPTYGGTG-CQSZACIVSA-N 320.433 2.595 0 40 DFAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C[C@@H]1CCN(C)C1 195531082 VLBAJGJWFNAKLR-VQHPVUNQSA-N 310.482 2.770 0 40 DFAB CCn1ccnc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1 80342029 NIBJYHHEWNCCRP-CQSZACIVSA-N 304.825 2.925 0 40 DFAB Fc1cccc2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)ccnc12 195578629 KHWJXVRMQPUVCO-JKSUJKDBSA-N 302.349 2.758 0 40 DFAB CC(C)CN1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159687 PUBNLUSLOVAMEE-GOSISDBHSA-N 304.409 2.906 0 40 DFAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2nccs2)o1 96184665 BIVUOHCZAPSEEY-LSDHHAIUSA-N 303.431 2.893 0 40 DFAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)c(C)s1)CC2 96420922 VCSZLKVSGNUDBO-HUUCEWRRSA-N 323.458 2.757 0 40 DFAB O=C1CC[C@H]2[C@H](CCN2Cc2ccsc2)N1c1cccnc1 96064719 VATVEWFYYDHNMN-HOTGVXAUSA-N 313.426 2.913 0 40 DFAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2ccccc2)C1 96435884 NTAGXBDHPAQARO-CABCVRRESA-N 318.417 2.996 0 40 DFAB Cc1nc2c(s1)CCC[C@H]2CNC(=O)[C@H]1CC12CCOCC2 583623796 JECXBYVMYGMKAD-QWHCGFSZSA-N 320.458 2.804 0 40 DFAB COc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1OC 95534148 NCKOEINNDVYWKY-INIZCTEOSA-N 324.384 2.845 0 40 DFAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 96296187 DJZBRDRCFVVXNJ-HNNXBMFYSA-N 300.406 2.891 0 40 DFAB biogenic,in-vitro Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cscn2)n1 257211946 CBEXYNYLXMGGJZ-OAHLLOKOSA-N 302.403 2.701 0 40 DFAB CC(=O)N1CCN(Cc2ccc(C)nc2)[C@H](c2ccccc2)C1 257338107 YVWFMJBINSPAPU-IBGZPJMESA-N 309.413 2.795 0 40 DFAB CCOc1nccnc1NCc1ccccc1-c1cnn(C)c1 541899083 ZSRXGWFSPQWQDQ-UHFFFAOYSA-N 309.373 2.888 0 40 DFAB O=C(c1cccnc1)N1CCC(c2csc3nccn23)CC1 257263578 LQQDAEMOHXDQMX-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB COCC[C@@H]1CCOC12CCN(C(=O)c1occc1C)CC2 253476963 CFQLHEOUKPNEQL-CQSZACIVSA-N 307.390 2.636 0 40 DFAB COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)C1(C(=O)O)CC1 263210155 NJOLPRQVKFRLNN-ZDUSSCGKSA-N 317.385 2.721 0 40 DFAB CN1CC[C@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 585101746 DLZWSMJZCLERTE-KRWDZBQOSA-N 322.836 2.806 0 40 DFAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2CO)cc1C 585140289 BRVBSVOHTJDBOH-UHFFFAOYSA-N 305.399 2.621 0 40 DFAB Cc1ccc(-c2n[nH]c3c2CCN(C(=O)[C@@H]2C[C@H]2F)CC3)cc1 585110394 PCVZFDXFSQYJHH-HUUCEWRRSA-N 313.376 2.670 0 40 DFAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1cc(C)no1 47549224 BKZYCBXMTJYNPN-GFCCVEGCSA-N 302.334 2.756 0 40 DFAB Cc1cccc(NC(=O)C(=O)N[C@H](C)c2sc(C)nc2C)c1 84210762 ZUZFSHZAAXRLAL-LLVKDONJSA-N 317.414 2.884 0 40 DFAB COC(=O)c1ccc(NC(=O)Cn2ncc3ccccc32)s1 75134264 XYWGJPDKWHESOZ-UHFFFAOYSA-N 315.354 2.523 0 40 DFAB O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)c1ccccc1 58330684 XWDDGAJWGMQRNY-QGZVFWFLSA-N 310.328 2.783 0 40 DFAB Cc1ccc(-n2nnnc2N2CCO[C@H](c3ccccc3)C2)cc1 77302075 NAYCAXPAZFMLEW-KRWDZBQOSA-N 321.384 2.549 0 40 DFAB C[C@H](CN(C(=O)c1cnc(C(C)(C)C)s1)C1CC1)C(=O)O 97231885 DJIUGWDDGZECQT-SECBINFHSA-N 310.419 2.766 0 40 DFAB Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 11847721 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C[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@](O)(C(F)(F)F)[C@H]2C1 249106 WWMBCTJTJQTNDI-VYUIOLGVSA-N 316.279 2.779 0 40 DFAB Cc1cccc(CCC(=O)NC[C@@H]2CCCN2c2cccnn2)c1 78820954 KTEYALBAHBGGNR-KRWDZBQOSA-N 324.428 2.503 0 40 DFAB CCOc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 78985495 ZOQICXDTRKKPSU-UHFFFAOYSA-N 323.418 2.757 0 40 DFAB N[C@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 1598255 CIIAXGODDHHBDG-MRXNPFEDSA-N 310.353 2.701 0 40 DFAB CN(C[C@@H]1CCCCO1)C[C@H](c1cccs1)N1CCOCC1 106907842 DNXRUYHRBOUUKP-JKSUJKDBSA-N 324.490 2.622 0 40 DFAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C 44180088 WXKSLQKNGKQEJV-GXTWGEPZSA-N 303.406 2.675 0 40 DFAB C[C@H](O)[C@@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 108351866 UEVXKHUFKCEPTJ-IVZWLZJFSA-N 310.337 2.951 0 40 DFAB Cc1nc2nc(SCCCc3cnn(C)c3)nn2c(C)c1C 57504797 UUQDHTVLAVYZLQ-UHFFFAOYSA-N 316.434 2.508 0 40 DFAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(Cl)c1O 8222604 MESOUGARVUTPAH-DTORHVGOSA-N 315.822 2.839 0 40 DFAB COc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C 22056196 ITARWNDPMUQOCB-NRFANRHFSA-N 301.371 2.583 0 40 DFAB in-vitro COc1ccc(C(C)=O)cc1CC(=O)NCc1nc(C)cs1 44894626 FAEJDXIWYWDASR-UHFFFAOYSA-N 318.398 2.522 0 40 DFAB O=C(COC(=O)/C=C/c1ccco1)NCc1ccccc1Cl 3230087 QFKROOVFQAGBOU-BQYQJAHWSA-N 319.744 2.806 0 40 DFAB c1nc(NCCn2cncn2)c2c3c(sc2n1)CCCCC3 36833433 PDSGVRXGSJCZIS-UHFFFAOYSA-N 314.418 2.664 0 40 DFAB Cc1noc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)n1 46108307 WQRRDBSTCMXGPV-UHFFFAOYSA-N 321.185 2.800 0 40 DFAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 28577191 ZQFAGURFCRNNCE-LBPRGKRZSA-N 321.446 2.757 0 40 DFAB Cc1cccc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)n1 107787821 VWJNTPTVVXTNME-MOPGFXCFSA-N 316.445 2.940 0 40 DFAB O=C(Cc1cccs1)NCCc1nc2cc(F)ccc2[nH]1 12128677 MSMXNTHJMUDKMG-UHFFFAOYSA-N 303.362 2.665 0 40 DFAB O=C1N[C@H](CCc2ccccc2)C(=O)N1CCOc1ccccc1 3318438 VPOOJZLPTADAQL-QGZVFWFLSA-N 324.380 2.619 0 40 DFAB O=C(c1cccs1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100621819 NPRKTSNZKWFVPZ-SOUVJXGZSA-N 302.443 2.718 0 40 DFAB O=C(CCNC(=O)c1ccc(F)cc1F)OC1CCCCC1 22843067 BQXANXJPVGZNBV-UHFFFAOYSA-N 311.328 2.961 0 40 DFAB COc1cccc(C(=O)Nc2nc3ccccc3n2C)c1OC 27923904 FQCPXPVFJYSOBS-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB CC(C)CC[C@H]1CCCCN1C(=O)NCc1nnnn1C1CC1 95416243 DYMVYVGWBIDMTR-CYBMUJFWSA-N 320.441 2.508 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)cc1 14071523 KWWPXUZPSYTBQV-OAQYLSRUSA-N 301.411 2.804 0 40 DFAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CC[C@@H]1c1ccccc1 65552558 MCUIMPWHAQQLKL-DLBZAZTESA-N 322.412 2.667 0 40 DFAB O=C(c1ccco1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408607267 KJOATADTSWZASF-KRWDZBQOSA-N 310.397 2.943 0 40 DFAB O=C(CCn1cnc2sccc2c1=O)NC1CCCCCC1 14269694 SZJACRMWFSYUBO-UHFFFAOYSA-N 319.430 2.687 0 40 DFAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2[nH]1 5483239 MFOGBMCVKZWORE-NSHDSACASA-N 323.190 2.839 0 40 DFAB COc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 4832443 SXFVMGQSQAEAPT-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB O=C1O[C@@H](N2CCN(Cc3ccccc3)CC2)c2ccccc21 19849617 RCGVBOHDRUDCFW-GOSISDBHSA-N 308.381 2.673 0 40 DFAB CC(C)(C)OC(=O)NCC1CCN(Cc2ccccn2)CC1 67801302 SSFSZZSVVFOCKE-UHFFFAOYSA-N 305.422 2.818 0 40 DFAB CCO[C@@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 96433571 YYXHUYBLFLCKDN-VIFPVBQESA-N 312.416 2.555 0 40 DFAB C[C@H](C(=O)NC(C)(C)C)[S@](=O)Cc1cccc(Cl)c1 69492866 YVESZSOLBBTYEU-DGIBIBHMSA-N 301.839 2.892 0 40 DFAB C[C@@H]1SCCN(Cc2nnnn2C2CC2)[C@@H]1c1ccccc1 71911187 ROWPSYLABAHKFJ-LRDDRELGSA-N 315.446 2.687 0 40 DFAB COc1ccc(N[C@H](C)c2nnc(C)o2)cc1N1CCCC1=O 71902469 JMYQTSIXHFMQMA-SNVBAGLBSA-N 316.361 2.687 0 40 DFAB CCOC(=O)C1(NC(=O)c2cccs2)Cc2ccccc2C1 69774937 LRXPFNVJYILJES-UHFFFAOYSA-N 315.394 2.579 0 40 DFAB C[C@@H](Nc1ccc2nnnn2n1)c1ccc(Cl)cc1Cl 8851467 XFQDOVPSQJUEBR-SSDOTTSWSA-N 309.160 2.999 0 40 DFAB Cc1nc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)no1 95994095 OPBABNYUXPRBEB-UHFFFAOYSA-N 321.280 2.506 0 40 DFAB CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1 95973996 QYIIVTHYUKUZIT-LBPRGKRZSA-N 315.373 2.785 0 40 DFAB CC[C@]12CCCN1C(=O)N(Cc1ccc(C)cc1OC)C2=O 95992599 SGQIFKYLDILDCR-QGZVFWFLSA-N 302.374 2.710 0 40 DFAB Brc1cc2c(c(CNc3nncs3)c1)OCC2 95942962 KWQFLAYPJHMECT-UHFFFAOYSA-N 312.192 2.848 0 40 DFAB CN(C)S(=O)(=O)N1CCCCC[C@H]1/C=C/c1cccs1 97084105 JURIFCFGTVUWQE-LXKVQUBZSA-N 314.476 2.812 0 40 DFAB Cc1ncn(C[C@@H](O)COc2ccccc2C(F)(F)F)c1C 97085556 RPBNOSQXMVGSAW-GFCCVEGCSA-N 314.307 2.959 0 40 DFAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)COC1CCCC1)C2 97199038 GATNQSSLPPPEJP-CYBMUJFWSA-N 319.449 2.571 0 40 DFAB O=C(Nc1nnc(C2CC2)s1)c1cc(F)c(F)c(O)c1F 97112448 OIMWFKFVNCEKBJ-UHFFFAOYSA-N 315.276 2.791 0 40 DFAB COCCCCS(=O)(=O)N1CCC[C@H]1c1ccsc1 97163706 ZLMMVPOZAYCHGD-ZDUSSCGKSA-N 303.449 2.641 0 40 DFAB Cc1cc(CS(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)on1 72301841 VNWCZGXRMSXKKF-NSHDSACASA-N 320.370 2.910 0 40 DFAB O=C(OC[C@@H]1CCCCO1)c1ccc(Cn2ccnc2)cc1 97231469 QEGSVLOONDWHDX-INIZCTEOSA-N 300.358 2.657 0 40 DFAB O=C(O)c1cc(C2CCN(C(=O)[C@@H]3CC34CCCC4)CC2)no1 1548597881 POFHHVXLWJGYQZ-LBPRGKRZSA-N 318.373 2.659 0 40 DFAB C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]12 118931245 NJFDVXNNCYQDEC-JVEQNNCBSA-N 308.462 2.722 0 40 DFAB CN(C)C1(CNCC(=O)Nc2ccc(F)cc2)CCCCC1 22038358 DYCVKRBLYDYCSG-UHFFFAOYSA-N 307.413 2.618 0 40 DFAB Cc1cc(Cn2ccccc2=N)c(C)cc1Cn1ccccc1=N 409416324 UACKHFBZOOKSKS-UHFFFAOYSA-N 318.424 2.962 0 40 DFAB CN(C)C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccccc1 31496058 WWJJFFNGXHQTTP-SFHVURJKSA-N 322.408 2.882 0 40 DFAB Cc1nc([C@@H]2CCCN2C)nc2c1CCC(=O)N2CCC(C)C 72371095 VARXXDABGITYGM-HNNXBMFYSA-N 316.449 2.877 0 40 DFAB C[C@H](Oc1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(C)C 38614508 GALFCOGDBDRBKU-JSGCOSHPSA-N 320.364 2.605 0 40 DFAB O=[S@@](Cc1cccc2ccccc12)Cc1nnnn1C1CC1 75471863 DQNMKHAENODIOM-JOCHJYFZSA-N 312.398 2.610 0 40 DFAB Fc1ccc(F)c2c(N3CCC(n4cncn4)CC3)ccnc12 78987938 VDFPADVPGGIBIX-UHFFFAOYSA-N 315.327 2.946 0 40 DFAB Brc1ccc2[nH]cc(I)c2n1 44712851 JEQPNEJKIGXJCI-UHFFFAOYSA-N 322.931 2.930 0 40 DFAB in-vitro CC(C)CNC(=O)[C@@]1(C(C)C)NC(=O)c2ccccc2S1 41128165 UELOUFPZTUAAGA-INIZCTEOSA-N 306.431 2.647 0 40 DFAB CCOC(=O)[C@]1(C(C)C)CCN(c2ccc(C(C)=O)cn2)C1 225546433 PDTAUBNRPXUSFK-QGZVFWFLSA-N 304.390 2.700 0 40 DFAB Cc1ccc2c(c1)N(C(=O)[C@@H](C)Oc1cccnc1)C[C@@H](C)O2 81452371 OPDQMLZJQDZTLA-ZIAGYGMSSA-N 312.369 2.971 0 40 DFAB COc1cc2ncc(C(=O)O)c(Br)c2cc1OC 85386438 NGERFBOJYVXXLK-UHFFFAOYSA-N 312.119 2.713 0 40 DFAB CC(=O)c1ccc(NC(=O)N[C@H](C)c2cnn(C)c2)cc1C 89467205 MRLPJAFVNARUQP-LLVKDONJSA-N 300.362 2.814 0 40 DFAB CCOC(=O)c1cccc(NC(=O)N(C)CC(F)(F)F)c1 195576257 GAMMOPMLTSDJSF-UHFFFAOYSA-N 304.268 2.889 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 229816435 MAQVNPIYBUKFBC-TVFCKZIOSA-N 317.344 2.796 0 40 DFAB Cc1cc(Cl)c(C(=O)O[C@H]2CCCS(=O)(=O)C2)cc1C 195557383 AZLVLEYDNAVSIM-NSHDSACASA-N 316.806 2.691 0 40 DFAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(C)c2nccs2)c1 190960448 DMXPPXSIECXYSD-WCQYABFASA-N 318.398 2.927 0 40 DFAB c1coc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c1 96083966 SYHAFSRUMUXFSO-UHFFFAOYSA-N 306.369 2.732 0 40 DFAB Cc1nn(C)c(=O)c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1C 96407293 YISAYHSEHNQBAL-CQSZACIVSA-N 319.449 2.686 0 40 DFAB CC(C)N(C)Cc1cnc2n1CCN(CCc1ccccc1)C2 96045681 OFPLDXIMUUGSFR-UHFFFAOYSA-N 312.461 2.782 0 40 DFAB CCCCNC(=O)c1nnn(Cc2ccccc2Cl)c1OC 96183560 XZRYRLLJEIWWHX-UHFFFAOYSA-N 322.796 2.518 0 40 DFAB CCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 97232752 WDRPGAXSWSTQSU-VHSXEESVSA-N 324.343 2.843 0 40 DFAB COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C)nc1C 96431648 QDXYKLUBRJYTBQ-ZDUSSCGKSA-N 314.385 2.904 0 40 DFAB CO[C@](C)(CNC(=O)c1cc(C)on1)c1cccc(Cl)c1 96392321 MNSIDHKNMCVQNC-OAHLLOKOSA-N 308.765 2.928 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn2C1 96188926 NSYLSAMWVUQMIF-AWEZNQCLSA-N 305.447 2.922 0 40 DFAB Cc1nc(C[C@@H]2CCCN(Cc3cncn3C(C)C)C2)no1 581603849 CFJUEBDDESRBLO-AWEZNQCLSA-N 303.410 2.610 0 40 DFAB CSc1ccc([C@@H](O)CNC(=O)Cc2cccs2)cc1 96103033 SVHHRTKWUAWSOH-AWEZNQCLSA-N 307.440 2.862 0 40 DFAB Nc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 96756127 WUKACWSRHBXXON-DHZHZOJOSA-N 321.424 2.626 0 40 DFAB O=C1CCC(=O)N1CCN1C[C@@H]2CCCC[C@@]21c1ccccc1 96481038 RYAXJSGTOMCTJS-QFBILLFUSA-N 312.413 2.537 0 40 DFAB CC(=O)N[C@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1 96453578 NAXMAJRDFYWXSA-ZDUSSCGKSA-N 303.793 2.993 0 40 DFAB COCCCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 96420018 NWEQOVMYRFWAGU-LLVKDONJSA-N 306.189 2.570 0 40 DFAB c1cncc(O[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)c1 96107595 DBWJRKARIMVWLI-IRXDYDNUSA-N 316.426 2.956 0 40 DFAB COc1cc(Cl)c(Cl)c2c1NC(Cl)=NS2(=O)=O 95096752 SWCUDDJYSAJFKR-UHFFFAOYSA-N 315.565 2.711 0 40 DFAB CCS[C@@H]1CC[C@]1(O)CNC(=O)C(C)(C)c1ccccc1 96450740 YFNCDRITGMVUEQ-PBHICJAKSA-N 307.459 2.727 0 40 DFAB C[S@](=O)c1ccc(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 245305019 HOGVBQWITUTHMU-KXMBVRIMSA-N 322.426 2.784 0 40 DFAB Cc1nc2sccn2c1CN1CCC[C@H](c2ccncn2)C1 257291161 QFXRRFRFHNUQLS-ZDUSSCGKSA-N 313.430 2.874 0 40 DFAB Cc1nc([C@H]2CCCNC2)nc2c1CCCN2Cc1ccccn1 257310084 UDQCYEHUSKRQMT-HNNXBMFYSA-N 323.444 2.600 0 40 DFAB COc1ncc(-c2nc(-c3ccc(N(C)C)cc3)no2)c(C)n1 252509650 YTAHTZWLJYNLST-UHFFFAOYSA-N 311.345 2.577 0 40 DFAB CC[C@@H]1CCCCN1c1nn(-c2ccccc2F)nc1C(=O)O 256049280 ZEPBHUXSALKKJJ-LLVKDONJSA-N 318.352 2.874 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)n1 257201127 AGKPCETUZKQIDC-CYBMUJFWSA-N 316.405 2.860 0 40 DFAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H]1c1cnccn1 257297672 RIJSDNADBSFFPX-SFHVURJKSA-N 307.397 2.872 0 40 DFAB Cc1cccc(N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1 257319888 VULRXZVHMXDQDU-UHFFFAOYSA-N 309.417 2.675 0 40 DFAB COc1cnc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)nc1 626551711 RIWTVDCOSJRZRX-ZIAGYGMSSA-N 312.373 2.799 0 40 DFAB Cc1ccc(C)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 281260596 WMUKFTPVCDVCFU-UHFFFAOYSA-N 307.419 2.961 0 40 DFAB O=C(c1ccco1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678437 RSYDFUORIZHTBX-UHFFFAOYSA-N 323.352 2.906 0 40 DFAB CCN(CC)CC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 585112175 MKEJOPIPPHALEM-SFHVURJKSA-N 313.449 2.567 0 40 DFAB CCc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72282104 WBUHYLZFGMTYJV-QWHCGFSZSA-N 318.446 2.869 0 40 DFAB Clc1cnc(N2CCC[C@@H](COc3ccncc3)C2)nc1 1776008862 QANCSVTZUCHYSU-GFCCVEGCSA-N 304.781 2.820 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1[S@](C)=O 80134072 ANVXKXVTTZBZES-WHEQGISXSA-N 324.446 2.703 0 40 DFAB CCc1nsc(N(C)CC(=O)Nc2ccccc2SC)n1 92585234 ODGMGPHABQUJIW-UHFFFAOYSA-N 322.459 2.897 0 40 DFAB O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCSCC1 97143246 XMETVGSRLYZFFK-LSDHHAIUSA-N 306.431 2.665 0 40 DFAB N[C@@H](C(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 95426318 LNFNNZYQFVSACL-LJQANCHMSA-N 324.424 2.894 0 40 DFAB Cc1ccc(OCC2CCN(c3ncc(Cl)cn3)CC2)nn1 1775965789 KVBGBCPXOKXJGU-UHFFFAOYSA-N 319.796 2.524 0 40 DFAB O=C(c1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1 13207606 GMEKLWRXYKBHJB-UHFFFAOYSA-N 306.369 2.525 0 40 DFAB Cc1cccnc1CN1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19237788 MDCZXNLYEYZDSH-FQEVSTJZSA-N 321.424 2.711 0 40 DFAB O=C1OCCOc2ccccc2CCCCC12CCNCC2 643568927 SDQMZZUMFUWTNJ-UHFFFAOYSA-N 303.402 2.705 0 40 DFAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccncc2)CC1 10445155 UXUUWZUYVVODBE-UHFFFAOYSA-N 309.369 2.573 0 40 DFAB O=C1CN(c2nc3cnccc3s2)CCN1Cc1ccccc1 1888904337 ZLIYOHSHCWIVJT-UHFFFAOYSA-N 324.409 2.540 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2nccs2)C1 114741986 COYKSCODIJRMQF-LBPRGKRZSA-N 308.428 2.711 0 40 DFAB CCN1CCc2c(OCC(=O)Nc3ccccc3)cccc2C1=O 2716293 BTYKVDCXPBZQRV-UHFFFAOYSA-N 324.380 2.722 0 40 DFAB COc1cccc(S(=O)(=O)N2CCC(=C3CCC3)CC2)c1 1775966156 VJLBBPDWARVVQN-UHFFFAOYSA-N 307.415 2.960 0 40 DFAB CO[C@@H](CCSC)CNC(=O)CSc1ccc(F)cc1 1775968904 YJFJWQKTJXNCBA-LBPRGKRZSA-N 317.451 2.802 0 40 DFAB CCOC(=O)CSc1nnc(NC(=O)C(CC)CC)s1 4078350 ULXHSXVEHNIENZ-UHFFFAOYSA-N 317.436 2.568 0 40 DFAB O=C(c1cn2cccnc2n1)N1CCSC[C@H]1c1ccccc1 96406437 FZIFWFAKDIYYGK-HNNXBMFYSA-N 324.409 2.660 0 40 DFAB Cc1cc(Br)cc(C)c1NC(=O)N1CCOCC1 33491697 DLBYMFQLYPUFCB-UHFFFAOYSA-N 313.195 2.930 0 40 DFAB CCCCN(CC(N)=O)Cc1csc(-c2cccs2)n1 40540773 JKQVWDKADUBRQQ-UHFFFAOYSA-N 309.460 2.959 0 40 DFAB Cc1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2F)no1 32434006 VAWCPZMXERJKDG-UHFFFAOYSA-N 318.757 2.596 0 40 DFAB CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101709549 NNIUNXIOZBACSF-ZDUSSCGKSA-N 315.369 2.667 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1c(OC)cccc1OC 559989 KQPTWGHEVXPHAO-UHFFFAOYSA-N 315.325 2.743 0 40 DFAB O=C(NC1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 53262436 NJAKUPGYBCGSJA-UHFFFAOYSA-N 324.380 2.814 0 40 DFAB COc1cccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c1 195363 RTWUJXRWYIUEDV-UHFFFAOYSA-N 314.341 2.671 0 40 DFAB C[C@H](CNC(=O)Nc1nccs1)N1CCc2sccc2C1 43160303 BVNOJLUKVJHBMR-SNVBAGLBSA-N 322.459 2.773 0 40 DFAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccncc1F 78074722 HSDPLMQROHUCSS-UHFFFAOYSA-N 315.348 2.859 0 40 DFAB C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@@H]1N(C)C 78894965 QLHVQSLJFNYWTP-WBMJQRKESA-N 318.465 2.538 0 40 DFAB CCC(=O)N1CC[C@H](NCc2ccc(OC)c(F)c2)[C@H](C)C1 78897563 JVJCOMDWEJHXAW-DOMZBBRYSA-N 308.397 2.571 0 40 DFAB Cc1cc(-c2csc(CN3C(=O)CNC3=O)n2)cc(C)c1F 78936184 NKKYOSIFARXSIZ-UHFFFAOYSA-N 319.361 2.618 0 40 DFAB Cc1c([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)cnn1C 25001925 NFNQNTLINZELOA-LLVKDONJSA-N 310.357 2.875 0 40 DFAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC=CCC2)c1 25054047 LHCMMLGYYNNOBU-QWHCGFSZSA-N 303.358 2.922 0 40 DFAB C[C@H](CCNC(=O)N[C@@H]1CCCc2sccc21)[S@](C)=O 97161832 GTXNUMMNCJCUOB-NLUKRNMASA-N 314.476 2.582 0 40 DFAB C[C@H](c1ccco1)N(C(=O)c1cccc(-n2cnnn2)c1)C1CC1 56182066 QNMXKFUFPULYLR-GFCCVEGCSA-N 323.356 2.621 0 40 DFAB CCCNC(=O)CCNC(=O)c1ccccc1SC(C)C 56133822 HKAMOLGEFKAKGC-UHFFFAOYSA-N 308.447 2.833 0 40 DFAB CCCOc1c(Cl)cc(C(=O)NCCCOC)cc1OC 6138767 SHQQSHDIOZKOHK-UHFFFAOYSA-N 315.797 2.904 0 40 DFAB CCCC(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 6818174 HRAJSJAXPDWEBT-UHFFFAOYSA-N 317.374 2.600 0 40 DFAB CC(C)n1nnnc1-c1ccc(NC(=O)N2CCCC2)cc1F 96008722 XNQKZVHEOKPBBP-UHFFFAOYSA-N 318.356 2.688 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)N1CC[C@@]2(CCOC2)C1 108102391 YKIULWAHHNLKIO-YSVLISHTSA-N 322.355 2.643 0 40 DFAB Cc1cc2nn(-c3ccc(C(=O)OC(C)C)cc3)nc2cc1N 57353841 MTRYJJVCEKBDBA-UHFFFAOYSA-N 310.357 2.876 0 40 DFAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 12540878 XZURSDSDHYSVPJ-LBPRGKRZSA-N 315.373 2.928 0 40 DFAB Cc1nnc(-c2ccccc2NC(=O)[C@@H]2Cc3ccccc3O2)o1 58183531 PGNLXTLMQJUPMF-INIZCTEOSA-N 321.336 2.987 0 40 DFAB Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)o1 44890270 QGKNLKLMABUCSL-HNNXBMFYSA-N 313.332 2.980 0 40 DFAB Cc1cc(Sc2nnc(-c3ccccc3)o2)n2nc(C)nc2n1 9614777 PLAKXYMVZHTFMT-UHFFFAOYSA-N 324.369 2.942 0 40 DFAB O=C(NC1CCN(CC2CCCCC2)CC1)c1ccccn1 58208467 NGNDUANEWFCISO-UHFFFAOYSA-N 301.434 2.856 0 40 DFAB CC[C@H]1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 44968708 SXXFEBXOHUSZIE-AWEZNQCLSA-N 313.405 2.599 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 58306085 LNXUBVLGXJNCPG-JFIYKMOQSA-N 316.445 2.709 0 40 DFAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1 51357119 CDVZNPHQAUHIOP-UHFFFAOYSA-N 315.300 2.824 0 40 DFAB CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(OC)nc1 58851748 WXYXSGNQWKFCHC-UHFFFAOYSA-N 315.373 2.904 0 40 DFAB CCCN1CCc2c(nc3cc(-c4ccoc4C)nn3c2O)C1 100752978 WSQCBPNIOUAQDO-UHFFFAOYSA-N 312.373 2.771 0 40 DFAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCCO1 28856009 RPATWHNBSBHJQU-HNNXBMFYSA-N 314.337 2.504 0 40 DFAB COc1ncccc1NC(=O)CSc1nc2ccccc2o1 45931017 RWDZPRCOYDDGCC-UHFFFAOYSA-N 315.354 2.962 0 40 DFAB COc1ccc(CC(=O)OCc2c(C)noc2C)c(OC)c1 24539053 PXLYNYORGMXTAG-UHFFFAOYSA-N 305.330 2.595 0 40 DFAB C[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)[C@H]1CCOC1 110709577 LYLRSOQZQUDSBH-HUBLWGQQSA-N 322.380 2.764 0 40 DFAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc[nH]n1 12391484 KYKVYKFYQCTRRA-UHFFFAOYSA-N 319.777 2.763 0 40 DFAB C[C@H](CCNC(=O)c1cscn1)N(C)C(=O)OC(C)(C)C 95395411 NYGNBTKHFMWZIF-SNVBAGLBSA-N 313.423 2.518 0 40 DFAB CSC[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1Cl 95399410 SRBUEKNKZGGGHP-HNNXBMFYSA-N 315.866 2.848 0 40 DFAB Fc1cccc(CN2CCC3(CC2)CCN([C@@H]2CCOC2)C3)c1 107190972 PMMWUCMUDDRCDZ-GOSISDBHSA-N 318.436 2.903 0 40 DFAB CCOc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12788098 ATXNPDOYZZOTTL-UHFFFAOYSA-N 318.398 2.905 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ncccn1 3376565 ZAAXNFBWAAPWIK-UHFFFAOYSA-N 319.386 2.573 0 40 DFAB COc1ccc(CCCC(=O)NC[C@H]2CCCC[C@@H]2O)cc1F 84606367 VNKOFYRKAHZRSS-ZBFHGGJFSA-N 323.408 2.824 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)CCc3ccco3)cc2NC1=O 12947305 OKFILIDJVWJASU-JTQLQIEISA-N 300.314 2.570 0 40 DFAB C[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2C(=O)O)C1 13035024 BLTMUUDWMGILID-JTQLQIEISA-N 311.765 2.676 0 40 DFAB CNC(=O)c1cccc(C(=O)N[C@H]2CSc3ccccc32)c1 95401660 CWDKBGOLPRGRFH-AWEZNQCLSA-N 312.394 2.623 0 40 DFAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 49873616 KZBFSSDPIJCAAJ-SECBINFHSA-N 304.173 2.620 0 40 DFAB CC(=O)N[C@@H](CC(=O)N[C@H](C)C1CC1)c1ccc(Cl)cc1 39985019 UNPBZWYZFLIMSU-BMIGLBTASA-N 308.809 2.822 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nnco2)cc1 5208602 DNMNQEOAGSVPLT-DOMZBBRYSA-N 315.373 2.810 0 40 DFAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccccc1F 5277360 BWAXSTMNAPRWNM-UHFFFAOYSA-N 319.332 2.782 0 40 DFAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1Cl 65577791 DRWBMEZGXXSKQD-GFCCVEGCSA-N 312.822 2.898 0 40 DFAB COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C 5557288 AGZGGYZLTZRRPK-INIZCTEOSA-N 321.332 2.977 0 40 DFAB C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 96473096 RFBDEGRWJPELTL-ZDUSSCGKSA-N 322.453 2.718 0 40 DFAB C(=C/c1nn2c(-c3cnccn3)nnc2s1)\c1ccccc1 4785142 RDGURCVDHQNALT-VOTSOKGWSA-N 306.354 2.813 0 40 DFAB CC(C)(C)c1cnc(CSc2nnnn2C2CCOCC2)o1 71879373 PAUYCBOGINLPIE-UHFFFAOYSA-N 323.422 2.602 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=S)N1CC(=O)Nc2ccccc21 7560644 VVFIFRKDEOIRKI-NWDGAFQWSA-N 303.431 2.898 0 40 DFAB O=C(NCCc1ccccc1F)c1cncc(Br)c1 7545190 ODTVZROBYJPEHV-UHFFFAOYSA-N 323.165 2.956 0 40 DFAB Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(Cl)s1 80782399 FMSYELZAVIJXKP-UHFFFAOYSA-N 306.796 2.831 0 40 DFAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN2CCCC[C@@H]2C1 71839736 YRYNDCVJMNUHRV-OAHLLOKOSA-N 318.465 2.565 0 40 DFAB COc1ccc([C@@H](N[C@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1 81154948 DCULJYMWDWJHBT-OALUTQOASA-N 324.424 2.913 0 40 DFAB COc1cc2c(=O)[nH]c(-c3cc(SC)ccn3)nc2cc1F 90988423 QEDPRQLOLBIIRX-UHFFFAOYSA-N 317.345 2.855 0 40 DFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCCCCC1 8181520 QGPLUYZBGMZDRG-CQSZACIVSA-N 304.415 2.892 0 40 DFAB Cc1cccc(OC(F)F)c1NC(=O)NC[C@@H]1CCCO1 69333770 VQWZKNRRFZSHLZ-JTQLQIEISA-N 300.305 2.897 0 40 DFAB COC(=O)N1CCC(Nc2ccnc(-c3ccccc3)n2)CC1 69615962 HBVRAHHOIGDJPI-UHFFFAOYSA-N 312.373 2.786 0 40 DFAB CCN1CCC[C@@H]1CNC(=O)C1(c2ccc(Cl)cc2)CC1 69674574 MIQFVFLYVLOBNI-OAHLLOKOSA-N 306.837 2.972 0 40 DFAB Cc1ccc(N2CCC[C@H](NCc3ccc(Cl)o3)C2)nn1 69841488 SFEJSIZMTGTHHM-LBPRGKRZSA-N 306.797 2.790 0 40 DFAB Cc1nc(CC(C)C)sc1-c1nc(Cn2cccn2)no1 84062538 NQPOTUHYCHYBQD-UHFFFAOYSA-N 303.391 2.945 0 40 DFAB O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccccn1 88268213 CVMNYEZKMGNENM-UHFFFAOYSA-N 305.337 2.544 0 40 DFAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cn2ccccc2n1 96998786 RQGYXMROMUGOTG-CJNGLKHVSA-N 320.396 2.702 0 40 DFAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 97048174 ZJBZTSVSSNTBNA-GFCCVEGCSA-N 319.796 2.876 0 40 DFAB O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCOC1 97055880 QMJAAYJUJQQBST-HQJQHLMTSA-N 309.234 2.721 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cn1 72272045 FEHYUTMWIIRGRV-BFHYXJOUSA-N 316.430 2.734 0 40 DFAB CCCC(=O)NCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 95943487 GAVFRCCWGSFANI-UHFFFAOYSA-N 305.161 2.554 0 40 DFAB Cc1ccccc1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(C)(C)C 95964240 ALTJTWSGASZZOW-ZFWWWQNUSA-N 323.458 2.633 0 40 DFAB Cc1nn(C(C)(C)C)c(=O)n1Cc1ncc(-c2ccccc2)o1 95997495 GCJBJSYRCKQSQN-UHFFFAOYSA-N 312.373 2.812 0 40 DFAB CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 89960149 ALDYYZXSZYUCSM-ZIAGYGMSSA-N 312.417 2.709 0 40 DFAB CCc1nc([C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 76044045 XUWXPDIZADPXKE-SKDRFNHKSA-N 318.377 2.704 0 40 DFAB Cc1ccc2cc(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)c(C)nc2c1 76056051 OPFSFMCONFYOGR-FZKQIMNGSA-N 311.429 2.874 0 40 DFAB O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cc(F)ccc1Cl 76601986 NVCOTJMUIAXOFW-SNVBAGLBSA-N 310.756 2.890 0 40 DFAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1 70639458 RKXLFXIFCZDILR-MRXNPFEDSA-N 318.804 2.743 0 40 DFAB O=C1CCc2cc(C(=O)N3CCc4sccc4C3)ccc2N1 32883757 PPPQLDWAWNTZOH-UHFFFAOYSA-N 312.394 2.831 0 40 DFAB C[C@@H](CN(C)C(=O)CCc1ccc2ccccc2c1)c1nnn[nH]1 124662336 OKHKFHVGBVSNHY-ZDUSSCGKSA-N 323.400 2.548 0 40 DFAB C[C@H](CNC(=O)Cc1cccs1)N1CCc2ccccc21 33055217 QYMNPJRUZDBQTB-CYBMUJFWSA-N 300.427 2.858 0 40 DFAB Cc1cc(C)c(N2CC[C@@H](N[C@H]3CCSC3)C2=O)c(C)c1 189454985 FVRRHABOEKLQNN-LSDHHAIUSA-N 304.459 2.812 0 40 DFAB O=C(c1ccncc1)N1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49170774 AFZZJQJFZPIVAK-HNNXBMFYSA-N 320.352 2.761 0 40 DFAB biogenic,in-vitro O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(F)cc1 224159283 QBUDADNYMCOAMT-UHFFFAOYSA-N 314.364 2.536 0 40 DFAB CCC(CC)n1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1 1577077648 UEHZLDIOZJWMQD-IAGOWNOFSA-N 312.417 2.599 0 40 DFAB CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3CCC[C@@H]31)C2 195531404 GSDLRJJZGHDGLC-HJWJTTGWSA-N 305.466 2.976 0 40 DFAB CCc1nc2cc(C(=O)NCCCOC(C)C)ccc2n1C 225897413 IOMJPSPMDIWVRZ-UHFFFAOYSA-N 303.406 2.681 0 40 DFAB O=C(NCC[C@@H](O)c1ccco1)c1cc(-c2ccccc2)on1 77111079 APQVTUDXNIAPPD-CQSZACIVSA-N 312.325 2.788 0 40 DFAB COC[C@](C)(O)CNC(=O)c1ccc(-c2ccsc2)cc1 225620165 TZARCNZDTKBXFP-MRXNPFEDSA-N 305.399 2.542 0 40 DFAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 223036718 UYHLZXCFBQZLJW-GJZGRUSLSA-N 317.414 2.684 0 40 DFAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1 224851401 DZCXYWPBONMTKL-UHFFFAOYSA-N 321.398 2.919 0 40 DFAB COc1cccc(NC(=O)COc2ccn(-c3ccccc3)n2)c1 226853361 RGRKKWSZTUXOOJ-UHFFFAOYSA-N 323.352 2.898 0 40 DFAB Cc1nnc(-c2ccc(C(=O)NCc3ccc(C)n3C)cc2)o1 96444579 PYLHJNBILXGURR-UHFFFAOYSA-N 310.357 2.622 0 40 DFAB CC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CCCO1 97107067 YVLNQZMNDDCSHG-LBPRGKRZSA-N 312.163 2.769 0 40 DFAB CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@H]2CC=CCC2)c1 96408957 BJCMPKJGWUTCOS-YOEHRIQHSA-N 303.402 2.980 0 40 DFAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1C)C2 96039197 WLOABYJOTXPIDP-HKUYNNGSSA-N 317.429 2.582 0 40 DFAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1 96450541 NBSZLGGYNQJFCJ-DZGCQCFKSA-N 316.426 2.932 0 40 DFAB CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 96492777 DHZDLLLJSWVUKT-MAUKXSAKSA-N 316.445 2.773 0 40 DFAB NC(=S)NCCSc1cc(C(F)(F)F)cc(Cl)n1 91695063 UAZVXCNKUZTMHM-UHFFFAOYSA-N 315.773 2.679 0 40 DFAB O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCOC1 97372096 XRWVYZKMRJWNBQ-CPCISQLKSA-N 309.234 2.721 0 40 DFAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1nc2c(s1)CCCCC2 96117248 GBIOHWULGLWZSN-VIFPVBQESA-N 308.403 2.692 0 40 DFAB C[C@@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)CC1CCOCC1 96428047 ZLRUOUWICZWFDH-RHSMWYFYSA-N 323.458 2.621 0 40 DFAB Cc1nnc(CSCc2ccc3c(c2)nnn3C)n1C1CC1 96490438 RBNIIYXPBRHKSP-UHFFFAOYSA-N 314.418 2.637 0 40 DFAB COCCCn1ccc(NC(=O)NC/C=C/c2ccccc2)n1 96413435 FQEUNFRBNGVKMS-WEVVVXLNSA-N 314.389 2.755 0 40 DFAB CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)nn1 96496546 DGAAAPLGKXQZNP-LBPRGKRZSA-N 306.410 2.541 0 40 DFAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2ccco2)C3)c1 247919765 NLYHRTDIMUAOJH-OAHLLOKOSA-N 302.399 2.814 0 40 DFAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NC1CCC1 253405336 SCRLAJBLSMXQSN-VIFPVBQESA-N 304.321 2.816 0 40 DFAB biogenic,in-vitro O=C(c1ccncc1)N1CCC(c2cccc3nccn23)CC1 257246959 IWSUIIPMCUQRAP-UHFFFAOYSA-N 306.369 2.749 0 40 DFAB Cc1cncc(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 257272059 NAXJDTZHZKXVKR-OALUTQOASA-N 312.413 2.794 0 40 DFAB COC[C@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@@H]1CCCO1 284908376 VDZFHCQWBPNTEH-QEJZJMRPSA-N 317.389 2.581 0 40 DFAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)s1 390833513 IOSCQFYIBZARFI-SUMWQHHRSA-N 314.410 2.808 0 40 DFAB O=C([C@@H]1C[C@H]1F)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 585110467 ZPLSYJSMMFZFAG-ZIAGYGMSSA-N 317.339 2.501 0 40 DFAB Cn1cc(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cn1 95977133 FSKFGLSIMGBVNQ-UHFFFAOYSA-N 320.303 2.556 0 40 DFAB COCCN1CC[C@H](Nc2ccc(Br)c(F)c2)C1 96011613 BAOHUOSNTLFMHJ-NSHDSACASA-N 317.202 2.721 0 40 DFAB C[C@H]1CCc2c(sc3ncn4nc(/C=C/C(=O)O)nc4c23)C1 2225724 DVUSNDRNBNEPJC-ZJELKQJVSA-N 314.370 2.562 0 40 DFAB COc1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 5513734 JEHSXFLDJLUYJW-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB COc1ccc(-c2cc([C@H]3CCN(C(=O)C4CC4)C3)[nH]n2)cc1 12088170 BWQZHCSUYIITAU-AWEZNQCLSA-N 311.385 2.811 0 40 DFAB Cc1onc(CO)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 570105435 YVDKIMBKPVRIPP-GFCCVEGCSA-N 316.357 2.508 0 40 DFAB Cc1c([C@@H](C)NC(=O)Cn2c(C)cc3ccccc32)cnn1C 25000692 MYHHMXKXXCWSKZ-CYBMUJFWSA-N 310.401 2.869 0 40 DFAB CC(C)NC(=O)C[C@@H]1OC[C@H]2CN(CC3CCCCC3)CC[C@@H]12 1565552825 YCNBVZVHMBKZIG-KURKYZTESA-N 322.493 2.818 0 40 DFAB CN(C(=O)c1cc(N)cc(N)c1)C1CC(C)(C)N(C)C(C)(C)C1 82978 KTGKNGFOSOGUQL-UHFFFAOYSA-N 318.465 2.574 0 40 DFAB Cc1ccccc1Cn1cccc(C(=O)Nc2cccnc2)c1=O 5269233 LTDLCWQMDIQLRI-UHFFFAOYSA-N 319.364 2.852 0 40 DFAB CCc1ncnc(N2CCC(Oc3nccs3)CC2)c1F 2086884426 QYBGCEMUDHMTSF-UHFFFAOYSA-N 308.382 2.682 0 40 DFAB COc1cccc(NC(=O)NC[C@@H](OC)c2ccco2)c1OC 206869513 DJGUCYFSWQNUKJ-CQSZACIVSA-N 320.345 2.806 0 40 DFAB COC(=O)c1ccc(NCCOc2ccc(OC)cc2)cc1 24045610 FXDRIVAMOUGFLP-UHFFFAOYSA-N 301.342 2.973 0 40 DFAB CCc1oc2ccccc2c1/C=C/C(=O)NCCCn1cncn1 40090371 WMDUQHQXGKXBSO-CMDGGOBGSA-N 324.384 2.806 0 40 DFAB Cc1cc(OC(C)(C)C(=O)N2CCN(C)CC2)cc(C)c1Cl 20352264 BJHFZNVMLRPJKR-UHFFFAOYSA-N 324.852 2.888 0 40 DFAB Nc1nc(Cl)cc(N2CCC(COC3CCCC3)CC2)n1 40555517 BGVDDNQCSSVUSL-UHFFFAOYSA-N 310.829 2.888 0 40 DFAB CC(C)C(=O)N(C)CCCNc1cc(=O)oc2ccccc12 101668278 KXWJQDQTWCJSKH-UHFFFAOYSA-N 302.374 2.709 0 40 DFAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@@H](C)C3CC3)c(C)n2n1 32907071 IMHMTBHJHPFIHD-ZDUSSCGKSA-N 314.433 2.844 0 40 DFAB C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2ccccc2)cc1 33004274 WIOSHACMOPSBCK-DYVFJYSZSA-N 308.381 2.809 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C)C[C@@H](C)C2)cc1 103340008 RZXLLIWUNXVWLX-HZSPNIEDSA-N 317.433 2.950 0 40 DFAB O=C(Nc1ncccc1O)c1cc(Cl)c2c(c1)OCCCO2 22264295 IVSQJELFMWZFRP-UHFFFAOYSA-N 320.732 2.854 0 40 DFAB CCN(CC)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 54061428 UARXKDKTPHIBCN-GOSISDBHSA-N 310.397 2.967 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1 111336 FZTCFUMHCRPRRK-AWEZNQCLSA-N 300.402 2.797 0 40 DFAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1ccsc1 24384358 DHQGJMQDWITIDY-LBPRGKRZSA-N 317.414 2.917 0 40 DFAB Cc1nn(C)c(Cl)c1CN(CCO)[C@@H]1CCc2ccccc21 79020232 JLJBJRCIFDWXBF-MRXNPFEDSA-N 319.836 2.864 0 40 DFAB CN(N)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1393375 VDDDGPNCRVQPPU-UHFFFAOYSA-N 310.201 2.977 0 40 DFAB CCC[C@H]1CCc2ccccc2N1CC(=O)NC[C@H]1CCOC1 107157099 JCSNPAYTXHITCN-WBVHZDCISA-N 316.445 2.761 0 40 DFAB Cc1noc(C2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 57048619 ICVQQLYMKMBZHD-UHFFFAOYSA-N 305.403 2.697 0 40 DFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(F)c1F 6746875 LMJMKTJBFNFKMO-KYAGDKKUSA-N 311.259 2.565 0 40 DFAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 96014053 SYWLVELALPYHHH-CYBMUJFWSA-N 323.396 2.985 0 40 DFAB Cc1nc(C)c(C(=O)Nc2nnc([C@@H]3CCCO3)s2)s1 7995455 CMRFAJQHUCSXMW-QMMMGPOBSA-N 310.404 2.715 0 40 DFAB CCc1sc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1C 96000737 UFMIAXKIJRLOQH-NSHDSACASA-N 321.402 2.524 0 40 DFAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccnc1Cl 3245366 XCDHKFDSMVVCQF-QWRGUYRKSA-N 310.781 2.681 0 40 DFAB NC(=O)c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cn1 58018358 VANAFICYZNDSDM-UHFFFAOYSA-N 323.396 2.637 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1ccnc(Cl)c1 27442782 ZRMVTHCAQLRARJ-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 100750300 VFTUAQFKYAPTTO-DAYGRLMNSA-N 324.428 2.713 0 40 DFAB C[C@H](NC(=O)CN1CSCC1=O)c1ccc2ccccc2c1 44866233 FCILZBNEMGUOTE-LBPRGKRZSA-N 314.410 2.550 0 40 DFAB COc1ccc(OC)c(CN(Cc2nnc(C)o2)C2CC2)c1 44910586 WHGWXMDVBYGWHN-UHFFFAOYSA-N 303.362 2.560 0 40 DFAB O=C(C[C@@H]1CCCO1)NCc1cccnc1OC1CCCC1 44942969 OACJAAJHYWBGRG-HNNXBMFYSA-N 304.390 2.588 0 40 DFAB Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N 20194800 LFEACVBWCPOXSS-UHFFFAOYSA-N 313.376 2.679 0 40 DFAB C[C@H](c1cnccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 100191329 PKYBOILXNQBIFL-KGLIPLIRSA-N 320.437 2.774 0 40 DFAB CC(C)(C)c1nc(CS(=O)(=O)[C@H]2CCCOC2)cs1 95468266 VEVHXPZYSBKLCH-NSHDSACASA-N 303.449 2.534 0 40 DFAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)NCc1cccs1 28871726 QSKYIJGKNHGABQ-NSHDSACASA-N 318.398 2.636 0 40 DFAB CCN1Cc2cccc(NC(=O)Cc3ccc4c(c3)OCO4)c2C1 95464970 WMOBYERAGZJOLY-UHFFFAOYSA-N 324.380 2.932 0 40 DFAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1cccs1)CC2=O 20800584 MQFMBJHMBTXUGU-VIFPVBQESA-N 317.366 2.526 0 40 DFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OC[C@H]1CCCO1 11595258 IBZPNYYKXXNWHP-CYBMUJFWSA-N 303.362 2.656 0 40 DFAB CCOC(=O)CCC(=O)c1ccc(CN2CCSCC2)cc1 2514820 FVMJETGZZPHNEA-UHFFFAOYSA-N 321.442 2.761 0 40 DFAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2)no1 25443285 NWUXENOFJPRJGD-AWEZNQCLSA-N 303.337 2.898 0 40 DFAB CC(C)[C@@H]1NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O 21702123 HGZYWZULSLEHOH-ZDUSSCGKSA-N 310.781 2.685 0 40 DFAB O=C(COc1ccccc1Br)NCCc1ccc[nH]1 89353696 RZDQBRYQELJIMW-UHFFFAOYSA-N 323.190 2.515 0 40 DFAB CCCn1cc(NC(=O)[C@@H](C)Oc2ccccc2)ccc1=O 47184722 UXGMOQWZZMFDPI-CYBMUJFWSA-N 300.358 2.664 0 40 DFAB CSc1ccc([C@H](C)NS(=O)(=O)Cc2ccon2)cc1 95402857 WTZDVNGMZDEQJP-JTQLQIEISA-N 312.416 2.577 0 40 DFAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 28226003 QQSKNQLVCCMEEY-DLBZAZTESA-N 307.397 2.534 0 40 DFAB COc1cccc(CNC(=O)c2ccc(Br)o2)c1 3419906 UYIPHVNSEGEUAV-UHFFFAOYSA-N 310.147 2.981 0 40 DFAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(-c2csc(C)n2)c[nH]1 48431610 WLXJXZQUJGLZJS-LBPRGKRZSA-N 319.430 2.945 0 40 DFAB Cn1ccs/c1=N/C(=O)CCC(=O)c1ccc(Cl)cc1 104177092 KHTVSYYBVPVQBV-JQIJEIRASA-N 308.790 2.830 0 40 DFAB COc1ccccc1CN(C)[C@H](C)C(=O)NCc1cccs1 12911244 SFZIVBHKHDMXHF-CYBMUJFWSA-N 318.442 2.893 0 40 DFAB COc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12927210 CZYBGEQHFVIJOG-UHFFFAOYSA-N 324.380 2.974 0 40 DFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 13005344 BPEBMMXXBVZRRA-CQSZACIVSA-N 324.380 2.995 0 40 DFAB COc1ccc(C2=NO[C@@H](C(=O)N3CCCCCC3)C2)cc1 5029152 WSAWEPVTGJTTEO-MRXNPFEDSA-N 302.374 2.591 0 40 DFAB CCCc1nc(C(=O)N2CCC[C@H]2c2nonc2C)cs1 65462681 FCIJIBYNOUUYIA-NSHDSACASA-N 306.391 2.764 0 40 DFAB COC(=O)c1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 14015329 YEZDIMUQHIFNIK-UHFFFAOYSA-N 312.325 2.684 0 40 DFAB O=C(Nc1cnccc1-n1cccn1)c1ccc(F)cc1F 65563004 CJAQXMKAWGOZNJ-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB C[C@H](NC(=O)Cc1ccccc1)c1ccc(-n2cncn2)cc1 14185040 JSYJEQYHJVAOQC-AWEZNQCLSA-N 306.369 2.687 0 40 DFAB C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)C1 14171255 WPPDCZVDKUDELK-GFCCVEGCSA-N 308.809 2.718 0 40 DFAB Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)nc1 9336736 LRUODMHMJYTNBE-UHFFFAOYSA-N 322.368 2.933 0 40 DFAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2C)cc1 19736380 ZGGPRLSAXVWXBW-GFCCVEGCSA-N 300.358 2.992 0 40 DFAB Cc1ccccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 4824728 JEOQYISPXPXNJR-UHFFFAOYSA-N 309.325 2.667 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 15376236 COKNDBWRXHMCDS-IBGZPJMESA-N 323.440 2.638 0 40 DFAB CN(C[C@H]1CCCCO1)C(=O)c1ccnc(OC2CCC2)c1 90028400 IKSWDVFRDWRTCO-OAHLLOKOSA-N 304.390 2.654 0 40 DFAB CC(C)(CN1CCCCCC1)NCc1ccc(OCCO)cc1 22917260 UNPYUKMKKZXKGM-UHFFFAOYSA-N 320.477 2.802 0 40 DFAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ncccn2)C1 9530676 ODXJTPNTNCDOLC-LBPRGKRZSA-N 316.792 2.985 0 40 DFAB Cc1nn(C)cc1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 81350290 NFFCZZQFOWVHDW-SNVBAGLBSA-N 307.781 2.579 0 40 DFAB O=C(NCc1ccccn1)c1ccc(F)cc1Br 8073256 FXMMZMZGPCBHES-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)on1 71819868 HBRDAWAYWFNBJC-GFCCVEGCSA-N 322.796 2.813 0 40 DFAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCC1(c2ccccc2)CC1 71853391 MKNVQYKTJQXWCH-INIZCTEOSA-N 324.428 2.829 0 40 DFAB Cc1ccc(-c2csc3ncn(CCO)c(=O)c23)c(C)c1 19993518 IRFLQISRWKZJCM-UHFFFAOYSA-N 300.383 2.734 0 40 DFAB C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCCC2)nc1)C1CC1 96502479 HNYDLKGDMSMICK-LBPRGKRZSA-N 316.405 2.628 0 40 DFAB FC(F)(F)c1ccc(N2CCC[C@H](C3OCCO3)C2)nc1 71904180 ZERRMFZTQZCJQS-JTQLQIEISA-N 302.296 2.690 0 40 DFAB Cc1nc(N[C@H]2CCc3ncnn3C2)c2c(C)c(C)sc2n1 69493489 XMGQBPJGNNIKNV-NSHDSACASA-N 314.418 2.635 0 40 DFAB Cc1ccc(F)c(NC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 9677789 NHVRVTFNTQAIRV-AWEZNQCLSA-N 315.348 2.872 0 40 DFAB COc1cc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1C 69624706 NZAALTZKUHVJLB-IAGOWNOFSA-N 316.445 2.631 0 40 DFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccnc1 82355056 DAAQXYINTYQCAU-MRXNPFEDSA-N 320.389 2.888 0 40 DFAB CCc1nc2n(n1)C[C@@H](NCc1ncc(-c3ccccc3)o1)CC2 69739530 IFSYYVCKXMQKMY-AWEZNQCLSA-N 323.400 2.600 0 40 DFAB COc1ccc2nc(C)cc(S[C@@H](CC(=O)O)C(=O)O)c2c1 8991746 XTVOISJTXQNHKC-ZDUSSCGKSA-N 321.354 2.572 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cc1 84110578 DJVACXPFOFJKTM-HNNXBMFYSA-N 313.401 2.675 0 40 DFAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCCO1 97055021 QUXGYHXHQMAEKX-GXFFZTMASA-N 301.308 2.932 0 40 DFAB COc1ccc([C@@H](NC(=O)c2csnn2)C(F)(F)F)cc1 97080006 XDYUVFGGPSZADE-SNVBAGLBSA-N 317.292 2.580 0 40 DFAB COc1ccc2c(c1)NC(=O)[C@@H]2OC(=O)Cc1ccccc1C 72295179 PLUFWJNKQXIKIR-QGZVFWFLSA-N 311.337 2.783 0 40 DFAB OCc1ccc(CNc2ccccc2N2CCC(CO)CC2)o1 95995860 QVHDQSDKGMANLN-UHFFFAOYSA-N 316.401 2.593 0 40 DFAB Cc1nc2ncnn2c(NC[C@H]2CCO[C@@H]2C(C)(C)C)c1C 97165749 JHPYRTFAQYKKRN-OLZOCXBDSA-N 303.410 2.604 0 40 DFAB Cc1cccc(CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 97145898 MHQPIYRDLIOQNB-HUUCEWRRSA-N 305.422 2.925 0 40 DFAB O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1C[C@H]1c1c(F)cccc1F 84339105 XCIZTNCLNGLCLT-RTWAVKEYSA-N 309.356 2.736 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]1CN1CCCC1 95392660 CRYSBOBRBKKGOT-SHRNQRGKSA-N 320.458 2.547 0 40 DFAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)n[nH]c2C)c1 74684352 FZWBTGDNRWYGOI-UHFFFAOYSA-N 300.362 2.556 0 40 DFAB Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 95436282 KIRQUDAWUMIKCZ-MCIONIFRSA-N 306.431 2.813 0 40 DFAB Cc1cc(NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1O 95430587 KUHVMCRFHUALIF-UHFFFAOYSA-N 318.760 2.723 0 40 DFAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c(=O)[nH]1 75118693 SDKAOLZEZKKHCA-ZDUSSCGKSA-N 314.385 2.962 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc(Cl)nc1 75267369 BBHDNUQEJWYISB-QMMMGPOBSA-N 317.197 2.913 0 40 DFAB Cc1ncc(Cl)c(C(=O)N(C)CCOCc2ccccc2)n1 89730013 JWMTYBXTJOHRNK-UHFFFAOYSA-N 319.792 2.727 0 40 DFAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2[nH]ncc2c1 89919966 HSQBOIXLBBNIBR-QLJPJBMISA-N 309.325 2.730 0 40 DFAB CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)c1nnn[nH]1 89949533 HXNURVYVNDRQOO-JGVFFNPUSA-N 313.814 2.676 0 40 DFAB O=C(NCc1ccc(F)cc1)c1noc(CCc2ccco2)n1 75609941 KOFPZKKKCDYSRX-UHFFFAOYSA-N 315.304 2.517 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](C)c1ccsc1 76091748 OOMLZRIQRKVMDU-LLVKDONJSA-N 305.447 2.951 0 40 DFAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCS(=O)CC1 76083156 YBZOJUBAXVHWAK-CQSZACIVSA-N 322.474 2.656 0 40 DFAB Cc1cccc([C@H]2CCCN2S(=O)(=O)[C@H]2CCOC2)c1C 110625554 XFZSMBCWTLCZQZ-GOEBONIOSA-N 309.431 2.559 0 40 DFAB CN1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 174386055 ZEHFONKTJQEBPC-UHFFFAOYSA-N 301.217 2.951 0 40 DFAB CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2C=O)CC1 35605894 CUQLHUZVZHDBHN-UHFFFAOYSA-N 308.353 2.695 0 40 DFAB CC(C)C[C@H](C)OCCC(=O)NCc1ccc2c(N)noc2c1 521396246 BDZFMQFGNZCLCC-LBPRGKRZSA-N 319.405 2.868 0 40 DFAB COc1ccccc1-c1nnc2n1N[C@@H](c1ccco1)S2 3843177 MEMBMYFNSFJDOQ-CYBMUJFWSA-N 300.343 2.895 0 40 DFAB biogenic COc1ccc(CN2CCn3c(-c4ccncc4)cnc3C2)cc1 306131732 KOAAVEUGSSIISZ-UHFFFAOYSA-N 320.396 2.970 0 40 DFAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1 78403973 JCTVFLYPRNFTHY-NSHDSACASA-N 318.398 2.853 0 40 DFAB CC(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1 72361773 QPFUIVSXAASUQU-UHFFFAOYSA-N 311.389 2.650 0 40 DFAB C[C@H]1CN(C(=O)Nc2nnc(CC3CCCC3)s2)CCO1 78441654 BRMSICVMOQHHRF-JTQLQIEISA-N 310.423 2.523 0 40 DFAB CCc1cc(CNC(=O)N[C@@H](C)[C@H](C)c2ccccc2)[nH]n1 83232198 JOIQDLDKRZFBBJ-STQMWFEESA-N 300.406 2.964 0 40 DFAB CC(C)N(C[C@H](O)COCCOc1ccc(F)cc1)C(C)C 41690362 KHPKCRDBVVEBJE-INIZCTEOSA-N 313.413 2.701 0 40 DFAB CC(C)[C@H](N)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 528663263 SFBCHTUQMRQRJW-ZDUSSCGKSA-N 300.324 2.573 0 40 DFAB CCCc1nnc2sc(NC(=O)CCc3ccccc3)nn12 41076405 WJAAAMUVXCUBFP-UHFFFAOYSA-N 315.402 2.710 0 40 DFAB COc1ccnc(CN2CC[C@@H](Nc3ccccc3)C2)c1OC 190845354 KLFZNVYBOKDJGK-OAHLLOKOSA-N 313.401 2.785 0 40 DFAB COC(=O)c1cc(NC(=O)C2(C)CCCCC2)cnc1OC 225957612 RNLWBYVTJCMUES-UHFFFAOYSA-N 306.362 2.786 0 40 DFAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1 224599296 GMZBDZQUFCWZBA-AWEZNQCLSA-N 315.369 2.658 0 40 DFAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)O)cc1 225729529 ZIEKIXJFXPUPIJ-INIZCTEOSA-N 309.362 2.684 0 40 DFAB OCC1CCN(Cc2ccccc2NCc2cscn2)CC1 86257925 OEOSQFPIUCHQNQ-UHFFFAOYSA-N 317.458 2.960 0 40 DFAB CCc1ccc(Cl)c(CC)c1NC(=O)NCCc1nc[nH]n1 96469074 SDBQFURREFTCRX-UHFFFAOYSA-N 321.812 2.947 0 40 DFAB Fc1cccc2c1CC[C@@H]2Sc1nnnn1C1CCOCC1 96447781 ZKTRVYDJEAZSPX-AWEZNQCLSA-N 320.393 2.943 0 40 DFAB CC(C)Oc1ncnc2c1CCN(Cc1cccs1)CC2 96058778 ZHGQMLZXVODEFI-UHFFFAOYSA-N 303.431 2.926 0 40 DFAB CCCCNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 95810615 PZRGRDXQFPWKCS-RDTXWAMCSA-N 323.440 2.954 0 40 DFAB CN1CC[C@@H](CNCc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 95447472 KBCDEQNUCVVROQ-LRDDRELGSA-N 322.815 2.985 0 40 DFAB CNC(=O)c1cccc(CSCc2cc(OC)ccn2)c1 97094898 ICKRTUCBEJUQOO-UHFFFAOYSA-N 302.399 2.883 0 40 DFAB CCCn1nnnc1CN(C)[C@@H](C)c1sc(CC)nc1C 96424502 JOWHCQIWGNVPML-NSHDSACASA-N 308.455 2.603 0 40 DFAB CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)C3=CCCCC3)C2)O1 96218642 IMYCHFSATVDODR-FUHWJXTLSA-N 306.450 2.589 0 40 DFAB O=C1NCCN(Cc2ccc3ccccc3n2)[C@@H]1c1cccs1 96443547 LETLVJNBTDKMAL-QGZVFWFLSA-N 323.421 2.969 0 40 DFAB c1cc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)cs1 96047944 JERWLJAJCUKIEK-INIZCTEOSA-N 306.475 2.967 0 40 DFAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCCC[C@H]3C)ccc21 248068778 FOLIBANCCVPVAU-KDOFPFPSSA-N 316.445 2.894 0 40 DFAB CCC(CC)C(=O)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 257212823 CFCDZPIITLTACS-ZDUSSCGKSA-N 313.405 2.966 0 40 DFAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1F 257338766 YYWVIQYRINRUAZ-CJNGLKHVSA-N 306.381 2.652 0 40 DFAB CC(C)C(=O)c1ccc([C@H](C)C(=O)NC(C)(C)CCO)cc1 252485368 GSHHWVPFPCIFMK-ZDUSSCGKSA-N 305.418 2.906 0 40 DFAB C[C@]1(O)CCN(Cc2ncccc2F)C[C@@H]1Oc1ccccc1 257344643 ZYDKBJKZWCYRKZ-ROUUACIJSA-N 316.376 2.625 0 40 DFAB Cc1csc([C@@H](C)NC(=O)Cc2cccc(C(=O)O)c2)n1 262132785 HQYUTGOSMOLMSU-SNVBAGLBSA-N 304.371 2.570 0 40 DFAB COC(=O)N1CCC[C@H](NC(=O)Nc2ccccc2SC)C1 69593408 TVFHGERSKSOSBT-NSHDSACASA-N 323.418 2.761 0 40 DFAB Cc1csc([C@@H]2CCCCN2C(=O)COC[C@H]2CCCO2)n1 72282002 OLCGWSCVUFKMQC-KGLIPLIRSA-N 324.446 2.701 0 40 DFAB COC(=O)N1CC[C@H](NC(=O)c2cc3cccc(Cl)c3o2)C1 79055474 HSOIIYYACXSUKF-JTQLQIEISA-N 322.748 2.657 0 40 DFAB O=C(COC(=O)c1c[nH]c2ccccc12)NCc1cccs1 5090611 ATQHOYOQHUBXAR-UHFFFAOYSA-N 314.366 2.703 0 40 DFAB CCOC(=O)C1CCN(C(=O)Nc2ccccc2OC)CC1 18174981 OIMFIMNGOAQZPY-UHFFFAOYSA-N 306.362 2.502 0 40 DFAB CC[C@@H]1CN(C)CCN1C(=O)c1coc2ccc(OC)cc12 554636403 KYAUJBNALSHMJJ-GFCCVEGCSA-N 302.374 2.608 0 40 DFAB COc1ccc(C)c2sc(N3CC(Cn4ccnc4)C3)nc12 1889168619 PHFHITYQMXETLE-UHFFFAOYSA-N 314.414 2.946 0 40 DFAB CCc1nn(C)cc1N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 123864483 MHQOEITZBOHUAJ-OLZOCXBDSA-N 308.426 2.840 0 40 DFAB CC(C)CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037980888 LTBSHGPWPUMVPY-UHFFFAOYSA-N 301.434 2.609 0 40 DFAB COC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 44451797 POKCWHCIJZSKAT-UHFFFAOYSA-N 323.336 2.505 0 40 DFAB COc1cccc(C=O)c1OCCCSc1nnc(C)n1C 8731676 NBSLPOWZURFRQM-UHFFFAOYSA-N 321.402 2.506 0 40 DFAB O=C(NCCCn1cccn1)c1cc2cc(Cl)ccc2[nH]1 30165220 OHIFJIKCKFFPJI-UHFFFAOYSA-N 302.765 2.838 0 40 DFAB C[C@H]1C[C@@H](Sc2nnc3ccc(C(F)(F)F)cn23)C(=O)O1 40040295 TWDHXTNYHSNHES-POYBYMJQSA-N 317.292 2.544 0 40 DFAB Cc1cc(C(=O)NCCC2=CCCCC2)ccc1-n1cnnn1 40079609 CKORNPXHLSRRIH-UHFFFAOYSA-N 311.389 2.591 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N1CCc2sccc2C1 21051715 OAOUAAKESRVOIF-UHFFFAOYSA-N 310.419 2.548 0 40 DFAB COc1cc(C)c(NC(=O)Cc2csc(C)n2)cc1OC 21363103 SSQQVNOEGZUALS-UHFFFAOYSA-N 306.387 2.958 0 40 DFAB C[C@H]1CCCN(C(C)(C)CNC(=O)c2n[nH]c3ccccc23)C1 53392503 CIKBTAGKBHLBMM-ZDUSSCGKSA-N 314.433 2.803 0 40 DFAB Cc1c(NC(=O)c2ccsc2)c(=O)n(-c2ccccc2)n1C 22588801 FQJCQJGFFVQPNJ-UHFFFAOYSA-N 313.382 2.798 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OCC(C)C)c1 42472356 KNYURKPEQPDUBG-QWHCGFSZSA-N 309.406 2.942 0 40 DFAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)Oc1ccccc1 51855 WLMXMKXJWWLKAP-GFCCVEGCSA-N 317.370 2.745 0 40 DFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc2c(c1)CCO2 24442257 LQGXWCHZGGXUCA-UHFFFAOYSA-N 323.396 2.547 0 40 DFAB Cc1cc(C)nc(SCC(=O)Nc2cc(N)ccc2C)n1 415333 MFLDOSKTRSGARH-UHFFFAOYSA-N 302.403 2.715 0 40 DFAB Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1 1418782 TYAINMIHJGKNSO-INIZCTEOSA-N 317.414 2.580 0 40 DFAB CC(C)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 25133563 HOHPXECUVJWIIS-UHFFFAOYSA-N 313.401 2.509 0 40 DFAB biogenic CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)on1)C2 2791265 ILWXCWJBPVJZOC-GOOCMWNKSA-N 311.385 2.697 0 40 DFAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 3012262 BPKNDDWPCNHIKB-HNNXBMFYSA-N 318.373 2.666 0 40 DFAB O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCCC1 4272433 KCLIGQCMXXPFJQ-UHFFFAOYSA-N 314.414 2.643 0 40 DFAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc2cn[nH]c12 1427073 PLLYIGKLKOBWIT-UHFFFAOYSA-N 317.370 2.681 0 40 DFAB COc1ccc(CC(=O)NCc2ccc(OC)c(OC)c2)cc1 6285237 DNMHVSFYOWYZEI-UHFFFAOYSA-N 315.369 2.571 0 40 DFAB COC(=O)N1CC[C@H]2CC[C@H]1[C@@H]1CCCC[C@@H]2N1C(=O)OC 101042653 RERJTUBMHHYGLD-RFGFWPKPSA-N 310.394 2.617 0 40 DFAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@@]13C=C[C@@](CO)(CC[C@H]21)C3 8617624 HMKFWGVTZPRBQX-PHJNVHRLSA-N 320.473 2.891 0 40 DFAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccs1 8982663 DKJLLCUYGBPCCG-NSHDSACASA-N 318.373 2.670 0 40 DFAB COC(=O)c1ccc(OC(C)C)c(NCc2nc(C)no2)c1 58186281 RYJGFPXRIDJXAQ-UHFFFAOYSA-N 305.334 2.564 0 40 DFAB CCOC(=O)Nc1cccc(NCC(=O)N2CCCCC2)c1C 58173219 YBDLRAMUGLDFHS-UHFFFAOYSA-N 319.405 2.988 0 40 DFAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cc[nH]n1 58197018 HXLOQKIYOODEBY-UHFFFAOYSA-N 311.385 2.568 0 40 DFAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1CCCO1 28306174 WFJPEISUOBQPRA-CQSZACIVSA-N 305.765 2.702 0 40 DFAB Cc1ccc(-c2nnc(SC[C@@H]3CCOCO3)n2C)cc1 10264144 DVPXXXOWQGXGNF-ZDUSSCGKSA-N 305.403 2.646 0 40 DFAB CC[C@@H](NC(=O)c1ccc(C)[nH]c1=O)c1ccc(OC)cc1 75118909 PBVJXHNAOPBHHZ-OAHLLOKOSA-N 300.358 2.573 0 40 DFAB O=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1CCCO1 58227473 OMTLETMIDHAJLQ-HNNXBMFYSA-N 304.390 2.588 0 40 DFAB O=c1[nH]c(CCN2CCC[C@@H]2c2ccc[nH]2)nc2ccccc12 44978983 BMDRDCDNQNKXQP-MRXNPFEDSA-N 308.385 2.631 0 40 DFAB CC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 58404895 PHAHUFNIFFZPJA-KBPBESRZSA-N 307.390 2.996 0 40 DFAB Cc1ccc(C(=O)NCCn2c(C(C)C)n[nH]c2=S)c(C)n1 75399413 ARTDOVWMXBSXOC-UHFFFAOYSA-N 319.434 2.506 0 40 DFAB O=C(N[C@H]1CCCc2occc21)N[C@H]1c2ccccc2C[C@H]1O 89865553 MURGNAIDDUUYOC-UXLLHSPISA-N 312.369 2.615 0 40 DFAB CC1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 28777574 AWHNYJXUUQLKGJ-HTAVTVPLSA-N 309.435 2.543 0 40 DFAB Cc1nn([C@@H](C)C(=O)Nc2nccs2)cc1Br 2780715 JIDLLSPABIZQFU-ZETCQYMHSA-N 315.196 2.610 0 40 DFAB CC(C)NC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1 48104398 KKDGKVFOFCZDKD-UHFFFAOYSA-N 312.373 2.542 0 40 DFAB CS(=O)(=O)Cc1ccc(CNc2nc3ccccc3o2)cc1 48277328 ZAJHDXKMKSMVJS-UHFFFAOYSA-N 316.382 2.985 0 40 DFAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1O 12789896 UDQBSMHRIYRENM-UHFFFAOYSA-N 310.353 2.700 0 40 DFAB CCN(C(=O)COC(=O)c1ccccc1O)C1CCCCC1 3313585 VMNZCZYRDKVNFN-UHFFFAOYSA-N 305.374 2.730 0 40 DFAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 48346184 IRBOEPOMQZMIGP-CQSZACIVSA-N 324.808 2.620 0 40 DFAB COc1ccccc1OCC(=O)NCCOc1cccc(C)c1 21769601 PKKQVLHTVBEPBJ-UHFFFAOYSA-N 315.369 2.578 0 40 DFAB CCOCc1c(C(=O)OCC(=O)NC(C)C)oc2ccccc12 3453398 HJYWYTFZBSMHRT-UHFFFAOYSA-N 319.357 2.651 0 40 DFAB C[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)C1 76878974 JMJBDZUDOUJWKD-LZWOXQAQSA-N 316.401 2.808 0 40 DFAB COc1ccc([C@@H]2C[C@H](c3cccs3)Nc3nnnn32)cc1 13122133 UNCMYOBVUKMFSC-OLZOCXBDSA-N 313.386 2.890 0 40 DFAB O=C(/C=C/c1ccco1)Nc1cccc(-c2nnnn2C2CC2)c1 14093645 MQNKTZDXNASTLP-CMDGGOBGSA-N 321.340 2.920 0 40 DFAB O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(C2CC2)C1 65550617 ZKUFAWLSDXLYSF-OAHLLOKOSA-N 321.380 2.698 0 40 DFAB CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)o1 71799509 CUNCFCBSWUPHIW-HNNXBMFYSA-N 310.357 2.788 0 40 DFAB COc1cccc2cc([C@H](C)NC[C@@]3(O)CCSC3)oc12 95987982 KVDQWBSTQREXDE-ZBEGNZNMSA-N 307.415 2.960 0 40 DFAB COc1cccc(N2CCN([C@@H]3OC(=O)c4ccccc43)CC2)c1 19849611 BMOKGJBYKWVBJX-GOSISDBHSA-N 324.380 2.686 0 40 DFAB O=C(COC(=O)c1ccc(F)cc1)NCCCc1ccccc1 5754496 SVRYXYDGNBNNNP-UHFFFAOYSA-N 315.344 2.732 0 40 DFAB O=C(NCCCc1cccc(Br)c1)[C@@H]1CCCO1 71888912 QEUMQWLDHFYJDR-ZDUSSCGKSA-N 312.207 2.677 0 40 DFAB Cc1nc2ccccc2nc1CN1CCCC[C@@H]1Cn1cncn1 71878746 IFOPXWNEOXPRTM-OAHLLOKOSA-N 322.416 2.584 0 40 DFAB c1cn(-c2ccc(CN3CCCC[C@@H]3Cn3cncn3)cc2)cn1 71876255 VNPUYMRKDIFKAD-GOSISDBHSA-N 322.416 2.519 0 40 DFAB C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1cccc(F)c1 71859085 ZQXKRHZHRFGGJW-MCMMXHMISA-N 319.401 2.779 0 40 DFAB Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C)sc2ncn(C)c(=O)c12 15426683 NSXUGOGVAXRWHW-ONGXEEELSA-N 319.430 2.612 0 40 DFAB O=C(/C=C/c1cccs1)NCc1ccc2c(c1)OCCO2 9690432 YXYFIDXPWSJMEE-GQCTYLIASA-N 301.367 2.849 0 40 DFAB O=C(CSc1nnc(NC2CC2)s1)c1ccc(O)cc1 8313134 OXIVUYBDECMGAC-UHFFFAOYSA-N 307.400 2.793 0 40 DFAB CC(=O)NCCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 69453776 GSKJCADPBKMEAV-VIFPVBQESA-N 317.216 2.567 0 40 DFAB O=C(CCOCc1ccccc1)N1CCC[C@H]1CN1CCCC1 69416519 LEKATDYGOPKDLV-SFHVURJKSA-N 316.445 2.680 0 40 DFAB CC(C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)CO)c1 95975993 IFANSHIGMXWEHM-HOTGVXAUSA-N 311.447 2.639 0 40 DFAB CC[C@](C)(CC(=O)O)NC(=O)c1ccccc1Br 97018204 JGMGOCSWMUWYIL-CYBMUJFWSA-N 314.179 2.822 0 40 DFAB C[C@H](c1ccccc1F)[S@](=O)Cc1nsc(N(C)C)n1 97080218 NBRBCQLNAVJXFT-YBYGRFCBSA-N 313.423 2.753 0 40 DFAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(=O)[nH]c1 69899804 LXWHVITWFDEDKC-UHFFFAOYSA-N 310.353 2.956 0 40 DFAB CC(C)(CO)CCCNC(=O)NC1(C)Cc2ccccc2C1 92284380 ULGRPXOCKQFPKU-UHFFFAOYSA-N 304.434 2.642 0 40 DFAB CC(C)(C)c1nc(C(=O)N2CCC[C@H](n3cncn3)C2)cs1 72235070 LTIYYCNXDVWOQB-NSHDSACASA-N 319.434 2.509 0 40 DFAB CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20795885 XJDWDGWVDJWHHM-CYBMUJFWSA-N 306.369 2.908 0 40 DFAB Cc1csc([C@@H]2CN(Cc3nnsc3Cl)CCO2)n1 97199616 ZYAYSKHABYWYLF-VIFPVBQESA-N 316.839 2.530 0 40 DFAB COC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)s1 8988130 NKDVDPBHPCRBOD-UHFFFAOYSA-N 313.338 2.730 0 40 DFAB CCc1nsc(N2CCC(COc3ccccn3)CC2)n1 85689586 PNPPFENBNKWBPV-UHFFFAOYSA-N 304.419 2.791 0 40 DFAB CC1(C)OC[C@@H](CNC(=O)Nc2ccc(F)cc2Cl)O1 84673875 YDEGDXIDOLRJQT-SECBINFHSA-N 302.733 2.752 0 40 DFAB C[C@@H](OC(=O)c1ccc(Cc2nc[nH]n2)cc1)c1ccccn1 95452223 BXIHEHPUHGLLGR-GFCCVEGCSA-N 308.341 2.709 0 40 DFAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@H](CCO)C1CC1 95401092 HQMUFKSZBWODLH-CVEARBPZSA-N 306.381 2.737 0 40 DFAB CCn1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cn1 28245468 CQHZHNXYTUZHFK-UHFFFAOYSA-N 309.373 2.709 0 40 DFAB O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1Sc1nc(O)cc(C2CC2)n1 522117922 VQNOXMNWIVPBPS-WZRBSPASSA-N 319.430 2.599 0 40 DFAB O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[nH]nn1 121753308 UDFSAKOHKYUYGN-PWSUYJOCSA-N 324.306 2.890 0 40 DFAB Cc1ccc(-c2noc([C@H]3CNC[C@@H]3c3cnn(C)c3C)n2)cc1 1554046294 XUFFWPYAGSWHER-CVEARBPZSA-N 323.400 2.558 0 40 DFAB CCCn1c(NCc2cccs2)nc2c(C)nn(C)c2c1=O 32652974 SNCVQZMRUXUIQT-UHFFFAOYSA-N 317.418 2.522 0 40 DFAB CCN1C[C@H](CN(C)C(=O)C2CCCC2)Oc2ccccc21 39996870 CPGBETHJAIGAIO-HNNXBMFYSA-N 302.418 2.923 0 40 DFAB C[C@H](CC(=O)N1CCC[C@@H]1c1ccc[nH]1)NC(=O)OC(C)(C)C 79529013 LBHNSFWJILWJIT-TZMCWYRMSA-N 321.421 2.982 0 40 DFAB CCOc1ccc(CN2C[C@H]3CCCN3C[C@H]2C)cc1OC 72324633 FRBLNVBKHLGKHH-GDBMZVCRSA-N 304.434 2.762 0 40 DFAB CCOC(=O)[C@@H](N)[C@@]1(N2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350336 JKFJQZJSVJKVBH-QXGSTGNESA-N 322.493 2.948 0 40 DFAB Cc1ncc(C(=O)OCC2CCN(CC(F)(F)F)CC2)s1 77944552 DZQCTXGXTJZNHE-UHFFFAOYSA-N 322.352 2.883 0 40 DFAB C[C@H](CN(C)C(=O)c1conc1C(C)(C)N)c1ccccc1 563414656 XVEUNCPOYVXCRJ-GFCCVEGCSA-N 301.390 2.744 0 40 DFAB CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1CC 130735134 FKRNIXJRHNPXQD-YPMHNXCESA-N 321.421 2.911 0 40 DFAB CCCn1c(CNc2ncnc3[nH]ncc23)nc2ccccc21 41121169 QXPQCNFYYLDJPQ-UHFFFAOYSA-N 307.361 2.725 0 40 DFAB Cc1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1Cl 195449594 ZIFLOSQHHVUVQT-CQSZACIVSA-N 311.809 2.660 0 40 DFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 225144412 KKEZOEJIONSHLO-UHFFFAOYSA-N 319.382 2.973 0 40 DFAB COc1ccc(CCC(=O)NCCCN2CCCC2)cc1C 224529469 LBZBEQYDBPGXKJ-UHFFFAOYSA-N 304.434 2.538 0 40 DFAB COC(=O)COc1cccc(NC(=O)c2cccc(F)c2)c1 40082730 SYUOKPDIIYNTHW-UHFFFAOYSA-N 303.289 2.630 0 40 DFAB COc1cccc(-c2ccc(CNC(=O)NC[C@@H](C)O)cc2)c1 192507443 OCOZUYHTGNUBDE-CYBMUJFWSA-N 314.385 2.542 0 40 DFAB COc1ccc2c(c1)N1C(=S)NN[C@@H]1C=C2c1ccccc1 96305850 UMRJKLKMGBHQSF-INIZCTEOSA-N 309.394 2.666 0 40 DFAB O=c1ccc2c(n1CC1CC1)CC[C@H](NCc1cccs1)C2 96189727 WASSQSYBSAHBQU-HNNXBMFYSA-N 314.454 2.967 0 40 DFAB C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccco1 96486202 WUFIDRSQIXAJOC-TVQRCGJNSA-N 323.190 2.919 0 40 DFAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccccc1F 96518642 RKKFHQVCEQOJLY-NSHDSACASA-N 323.183 2.554 0 40 DFAB O=C(O)[C@@H]1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1 96516980 VGRVXEBZKVYDCB-CQSZACIVSA-N 309.369 2.932 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cccc2cccnc12)C(C)(C)C 96412458 GUUJDHBMKRUHEB-CQSZACIVSA-N 300.358 2.552 0 40 DFAB O=C(c1ccoc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96053882 UMMUXIIRMITQDF-IYBDPMFKSA-N 314.360 2.623 0 40 DFAB CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2CCOC2)s1 96439427 GWUIUFGUJVRDHX-NWDGAFQWSA-N 311.451 2.753 0 40 DFAB CN[C@@H]1COc2c(Br)cc(Br)cc2C1 90505510 FMQXSRGWIOPDCX-QMMMGPOBSA-N 321.012 2.735 0 40 DFAB CCN(CC)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 583621850 DCZFFKDJXGCXOL-QWHCGFSZSA-N 322.409 2.910 0 40 DFAB COc1ncc(Cl)c(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n1 583615448 BKOSYCDETVCDNV-WCQYABFASA-N 323.755 2.590 0 40 DFAB CO[C@H](C)c1nc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cs1 96447048 NSJTZCMQGKLDQN-IEBDPFPHSA-N 324.368 2.738 0 40 DFAB O=C(Cn1ccc2ccc(F)cc21)NCc1nc2ccccc2[nH]1 95479978 AAOGDGDAOKAIJV-UHFFFAOYSA-N 322.343 2.973 0 40 DFAB Cc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NC2CCC2)o1 96227813 NYFVIIDZKPSCNG-INIZCTEOSA-N 302.418 2.859 0 40 DFAB CO[C@H]1CCCOC12CCN(Cc1ccc(C(=O)O)cc1)CC2 257250873 JOJPVIXGIZRRPR-INIZCTEOSA-N 319.401 2.545 0 40 DFAB c1cncc(CN2CCC[C@H](c3cncc(-c4ncc[nH]4)n3)C2)c1 257212081 CBVVLRNDDOLBQY-HNNXBMFYSA-N 320.400 2.641 0 40 DFAB Cc1ncsc1CN1CCC[C@@H]1c1nccc(CN(C)C)n1 257300668 RVGCBJVEPGIFPC-CQSZACIVSA-N 317.462 2.640 0 40 DFAB CCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O 257298830 RNKYUELJIHXQQZ-QGZVFWFLSA-N 305.418 2.591 0 40 DFAB Fc1cccnc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257268027 MJYGYQJANKYHJA-ZDUSSCGKSA-N 311.364 2.872 0 40 DFAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2cc[nH]n2)n1 257337246 YSACMCGQTYEULD-HNNXBMFYSA-N 324.388 2.809 0 40 DFAB O=C(c1ccccn1)N1C[C@H]2CC[C@H](Cc3ccccn3)[C@H]2C1 257272066 NAYCGKSCAUVMQZ-BFYDXBDKSA-N 307.397 2.818 0 40 DFAB Cc1c(CN2Cc3nccn3C[C@@H]2c2ccccc2)cnn1C 257206977 BFRWQJWBSMZICE-QGZVFWFLSA-N 307.401 2.682 0 40 DFAB O=C(O)c1ccccc1-c1ccc(CN2CCCOCC2)o1 257252869 JWKWVRGSIANTOG-UHFFFAOYSA-N 301.342 2.867 0 40 DFAB CC(C)(C)c1csc([C@H]2CN(Cc3cnns3)CCO2)n1 290028718 NFVOZPQKXREAHU-LLVKDONJSA-N 324.475 2.866 0 40 DFAB Cc1cnc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)s1 390833512 IOSCQFYIBZARFI-GUYCJALGSA-N 314.410 2.808 0 40 DFAB CC(C)COC[C@H](NC(=O)NCc1ccccn1)c1ccco1 69654713 NIQYPLWSEOYMDS-HNNXBMFYSA-N 317.389 2.888 0 40 DFAB Cn1c(N)nnc1SCCOc1cccc2ccccc12 72302017 ASRKOYFKRCXLEE-UHFFFAOYSA-N 300.387 2.722 0 40 DFAB COc1cccc(CNC(=O)C(=O)Nc2ccc(C)cc2C)c1 5184368 VYNPNJUDSDAJRE-UHFFFAOYSA-N 312.369 2.567 0 40 DFAB Cc1ccc(-c2cc(CC(=O)NCc3ccccn3)no2)cc1 12634036 NAXMROYCHBRLSS-UHFFFAOYSA-N 307.353 2.904 0 40 DFAB COc1ccccc1C[C@@H](C)NC(=O)c1ccnn1C(C)C 12196627 CWBFWCBUGHMIJZ-CYBMUJFWSA-N 301.390 2.834 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1 35463145 AILVJQISKAJFSN-UHFFFAOYSA-N 320.395 2.699 0 40 DFAB COC(=O)c1cccc(COC(=O)c2ccc(N(C)C)cc2)c1 482505 JVTLGAHZPJJDCA-UHFFFAOYSA-N 313.353 2.896 0 40 DFAB CCOCCCNCc1cc(Br)ccc1OC 8253157 OTDUBBGQXBZPKR-UHFFFAOYSA-N 302.212 2.974 0 40 DFAB O=C(c1ccc2nccn2n1)N1CCC(Cc2ccccc2)CC1 1889211615 YICVSEPWDCSMAA-UHFFFAOYSA-N 320.396 2.824 0 40 DFAB Cc1noc(C)c1COC(=O)[C@H]1Cc2cc(Cl)ccc2O1 25104116 PZTATYCCTSCKCY-CQSZACIVSA-N 307.733 2.992 0 40 DFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1cccnc1 7146906 JEOUMLKJTCDBAQ-SECBINFHSA-N 314.769 2.914 0 40 DFAB CN1CCCC[C@@]2(CN(Cc3ccc(Cl)cc3)CCO2)C1=O 2037983893 JZZXYSLUZPKYMU-QGZVFWFLSA-N 322.836 2.553 0 40 DFAB CCOC[C@@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1 2055713205 FLJYXDHYQSIACE-MRXNPFEDSA-N 315.417 2.560 0 40 DFAB O=C(N[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1)C1CC1 2086875471 JTFPILMQKFARKJ-LLVKDONJSA-N 313.323 2.595 0 40 DFAB O=C(NCCCOc1cccc2cccnc12)c1ccncc1 44455596 CEBXVBMNPDYKST-UHFFFAOYSA-N 307.353 2.829 0 40 DFAB O=C(NCc1ccccc1)[C@H]1CCCCN1C(=O)c1ccccc1 73949056 KPWZXYFFYMKDAA-GOSISDBHSA-N 322.408 2.998 0 40 DFAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(-n2cnnn2)c1 40457553 VAXUJIRNFIIVEV-UHFFFAOYSA-N 319.368 2.564 0 40 DFAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CNc1cccc(Cl)c1 101728848 AMGXZDFNQKJLSI-NUZBWSBOSA-N 304.777 2.741 0 40 DFAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(N)CC1 33456517 FELMZRKPCQTJKB-SECBINFHSA-N 317.216 2.710 0 40 DFAB CCCn1c(=O)n(CCC(=O)N[C@@H](C)C2CC2)c2ccccc21 23040435 SSMNNCBRGHKKNM-ZDUSSCGKSA-N 315.417 2.518 0 40 DFAB O=C(NCc1ccccc1)NCc1ccnc(N2CCCC2)c1 23190995 DVRYNKPDRLNUJK-UHFFFAOYSA-N 310.401 2.681 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1 29977 LQGOUUAQKIPILS-UHFFFAOYSA-N 305.374 2.501 0 40 DFAB Cc1noc([C@@H]2CCCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 106116554 HXPLRLKHUUEFDX-BYNSBNAKSA-N 303.406 2.910 0 40 DFAB COC(=O)[C@@H](C)CSCc1nc(-c2ccc(F)cc2)no1 78822311 YYJGMBKTOCQMNW-VIFPVBQESA-N 310.350 2.918 0 40 DFAB CCOc1ccccc1NC(=O)CCNC(=O)OC(C)(C)C 78994071 ILCPGZUVHRLXKX-UHFFFAOYSA-N 308.378 2.939 0 40 DFAB CC(=O)c1cc(I)c(O)c2ncccc12 1649071 XHWRWDBCSAYROQ-UHFFFAOYSA-N 313.094 2.748 0 40 DFAB CC(C)c1nn(C)c2sc(C(=O)NO[C@@H]3CCCCO3)cc12 79864818 KBYPZPUFKOXLAK-GFCCVEGCSA-N 323.418 2.946 0 40 DFAB CCc1n[nH]c([C@@H]2CN([C@H](C)c3ccccc3F)CCO2)n1 107323020 CRAGUMZLVORVDV-RISCZKNCSA-N 304.369 2.641 0 40 DFAB C[C@H](NC[C@@H](C)N1CCOCC1)c1ccccc1OC(F)F 95419670 LAQYIMBIXOQEQJ-OLZOCXBDSA-N 314.376 2.659 0 40 DFAB CC1(C)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O 26777074 SDIPJCKSSYANPX-UHFFFAOYSA-N 319.748 2.825 0 40 DFAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccn(C)c1 108387009 XQMPYSMIYUJVKS-UONOGXRCSA-N 307.438 2.855 0 40 DFAB COC(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 10290674 KDQDMXOYPVMDEA-UHFFFAOYSA-N 312.325 2.684 0 40 DFAB Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 57356078 WDRGGULOEUJEMG-JTQLQIEISA-N 311.407 2.790 0 40 DFAB O=C(NC[C@@H]1CCCCO1)c1cccc(CN2CCCC2)c1 58378025 KKOMOLMFCLQRAU-KRWDZBQOSA-N 302.418 2.581 0 40 DFAB CS(=O)(=O)Cc1ccc(NC(=O)N2CCCCCC2)cc1 58461630 LJUPKVLXCDSVGB-UHFFFAOYSA-N 310.419 2.639 0 40 DFAB Cc1cc(I)c(Br)c(F)n1 21981942 GWPQARXMLSBVJD-UHFFFAOYSA-N 315.911 2.896 0 40 DFAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)c1 11355138 UFBNHVLCOIVVMW-AWEZNQCLSA-N 309.369 2.690 0 40 DFAB CN(C[C@H](O)C1CC1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 95411393 YMYUUDOAFOXHEB-HOTGVXAUSA-N 324.371 2.828 0 40 DFAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 72313398 KSHLKQQZCFBOFU-TZMCWYRMSA-N 301.390 2.636 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1oc2c(F)cccc2c1C 45746278 QBKBFGBQKIEPJS-UHFFFAOYSA-N 306.337 2.608 0 40 DFAB CCCNC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 2629553 LQFMPZOTDHABOJ-UHFFFAOYSA-N 311.381 2.966 0 40 DFAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N1C[C@H](C)O[C@@H](C)C1 59854109 SGISAVORUPXZAR-SRVKXCTJSA-N 312.360 2.715 0 40 DFAB Cc1ncsc1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 97232626 PFOBYPAGMBHWFS-HNNXBMFYSA-N 316.426 2.865 0 40 DFAB CCNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)o1 48310899 IGBYOVJRRHJJDC-JTQLQIEISA-N 319.386 2.668 0 40 DFAB CCCc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)[nH]1 12890167 NSQBFSSCNCMDSE-UHFFFAOYSA-N 315.402 2.594 0 40 DFAB NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3435919 XAIVQJRDYNMBKJ-UHFFFAOYSA-N 324.311 2.683 0 40 DFAB Cc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)s1 3563385 UDSAMPQYFMYUMB-UHFFFAOYSA-N 310.762 2.900 0 40 DFAB CC(C)c1nn(C)cc1CNCc1cccc(C(=O)N(C)C)c1 48709926 AWKPGCOKQIJRBL-UHFFFAOYSA-N 314.433 2.535 0 40 DFAB Cc1cccc(C)c1OCCN1C(=O)NC2(CCCC2)C1=O 13056725 CAYQLHABIKKWHK-UHFFFAOYSA-N 302.374 2.547 0 40 DFAB COc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1 67125448 QKZIZZHGDWJNMT-UHFFFAOYSA-N 314.341 2.560 0 40 DFAB CC1=CC(C)(C)n2c(=O)c3c(c4cccc1c42)OC(=O)CC3=O 4090659 RXLWZKAZTYFGAV-UHFFFAOYSA-N 309.321 2.645 0 40 DFAB biogenic Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)O 4218939 DIZUBEDMZQHUFF-UHFFFAOYSA-N 312.247 2.775 0 40 DFAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2c(C)n[nH]c2C)c1 65417608 HLYYCWKLFWBHMA-VIFPVBQESA-N 318.377 2.926 0 40 DFAB CONC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 14198032 PEZAWVRLIZARKU-UHFFFAOYSA-N 301.371 2.746 0 40 DFAB c1coc(CN2C[C@@H]3Cc4nc(NCC5CC5)ncc4[C@@H]3C2)c1 306135951 PFAQMQIIIRWRQL-XJKSGUPXSA-N 310.401 2.663 0 40 DFAB Cc1cc(C)nc(N/N=c2/c(=O)c3cccc4cccc2c43)n1 6672225 JICYTDDGIWASJP-LTGZKZEYSA-N 302.337 2.563 0 40 DFAB CCn1nc(C)cc1C(=O)N[C@H](C)c1c(F)cccc1OC 96425699 YGFHQQCSFUCPHF-LLVKDONJSA-N 305.353 2.850 0 40 DFAB C[C@@](CO)(NC(=O)N[C@H](c1ccc(F)cc1)C1CC1)C1CC1 95417166 YRIKTAMBRBQNAZ-RDJZCZTQSA-N 306.381 2.737 0 40 DFAB C[C@@H](C(=O)NC1CCCCC1)[S@](=O)Cc1cccc(F)c1 71859106 CZWCUUYDYYPAEQ-QKVFXAPYSA-N 311.422 2.912 0 40 DFAB Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1cccnc1 71843965 AJCIBHBOXQXYHW-ZIAGYGMSSA-N 313.401 2.739 0 40 DFAB COCC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 67478628 XFMOBRAXGDHDCW-CXAGYDPISA-N 316.401 2.597 0 40 DFAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)oc2ccc(F)cc12 71829792 QKDCKUZLMMMUFY-GXSJLCMTSA-N 318.348 2.606 0 40 DFAB CC(C)Cn1nc(C(=O)OC[C@H]2C[C@@H]2C)c2ccccc2c1=O 67900657 FWPSXDUECQOCPZ-QWHCGFSZSA-N 314.385 2.865 0 40 DFAB O=C1COc2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2N1 69484898 DPEXLRJDBXMEMP-UHFFFAOYSA-N 311.272 2.874 0 40 DFAB c1cnn(-c2ccc(CN3CCc4c(ncn4C4CC4)C3)cc2)c1 69531160 QMNDZZCJEQHGAG-UHFFFAOYSA-N 319.412 2.962 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCN(CCc3cccs3)C2)n1 69820239 USUDJSYKEIPDDO-OAHLLOKOSA-N 304.463 2.911 0 40 DFAB CC(C)=CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 69810927 FPXSXLHWXIQRDZ-AWEZNQCLSA-N 319.424 2.721 0 40 DFAB COc1cccc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 8643655 WOMSKZIIUMOVIP-IBGZPJMESA-N 324.380 2.971 0 40 DFAB CCC(CC)c1cc(NC(=O)COc2c(C)nn(C)c2C)[nH]n1 95412752 DBRXLADBFJCEMA-UHFFFAOYSA-N 319.409 2.681 0 40 DFAB CNS(=O)(=O)c1ccc([C@@H](C)Nc2cc(C)cc(C)n2)cc1 97038369 NLTFZFSFGHMSMD-CYBMUJFWSA-N 319.430 2.780 0 40 DFAB C[C@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ncon1 97047476 YGFUFLRFNYXLKY-VIFPVBQESA-N 300.343 2.684 0 40 DFAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282813 OLZPTNOQDIKWNB-OLZOCXBDSA-N 317.364 2.722 0 40 DFAB CCOc1ccc(N(C)C(=O)c2cc(C(N)=O)cs2)cc1 72292395 BJNXIICMDOJXHW-UHFFFAOYSA-N 304.371 2.522 0 40 DFAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(C)s1 72268698 CLEYTLDQPOJOGE-LSDHHAIUSA-N 307.463 2.817 0 40 DFAB CC(C)N1CCC[C@@H](CNC(=O)NOCc2ccccc2)C1 72274326 GNAZBNCMZHHUBJ-INIZCTEOSA-N 305.422 2.538 0 40 DFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@@H]2CCC[C@@H]21 72286947 AKJULSFVGAHACX-UONOGXRCSA-N 318.373 2.633 0 40 DFAB CNCCC1CCN(Cc2ccc(OCCOC)cc2)CC1 97162674 QKRKCYZKKGEMNO-UHFFFAOYSA-N 306.450 2.533 0 40 DFAB Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](C)Sc1ccccn1 84971653 CPXXCGHLIXBYOQ-LLVKDONJSA-N 315.398 2.608 0 40 DFAB Cc1cc(NC(=O)NCC[C@H](C)O)nn1-c1cccc(Cl)c1 95992722 ZSFFGKBQKUMXTH-NSHDSACASA-N 322.796 2.727 0 40 DFAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccn2ccnc2c1 95976897 MVYNAKOBMFRDDO-CYBMUJFWSA-N 309.369 2.743 0 40 DFAB CC(=O)CCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 95955492 NAOFYOPXTINCFO-OAHLLOKOSA-N 318.373 2.502 0 40 DFAB CON(C)C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 89310221 ZZFQKQZDTLUTHX-UHFFFAOYSA-N 322.364 2.683 0 40 DFAB CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccncc2F)C1 119798354 REEAXCFLUXEMJV-NSHDSACASA-N 323.368 2.806 0 40 DFAB O=C(c1cccc(CN2CCCC2)c1)N1CC[C@]2(CCOC2)C1 89774467 UYTFHKIAEKMQLB-IBGZPJMESA-N 314.429 2.535 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 20372441 WMJGTHURQDNLEI-KRWDZBQOSA-N 322.408 2.973 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34857595 VDYVABAKTVYRMT-USXIJHARSA-N 314.429 2.730 0 40 DFAB O=[N+]([O-])c1c(/C=C2/SC(=S)N=C2O)ccc2c1OCO2 33907947 SJVJWFLOGIQWQJ-XVNBXDOJSA-N 310.312 2.653 0 40 DFAB CC1(C)CCCN[C@H]1C(=O)Nc1ccc(-c2cncnc2)cc1 564074342 YRBHFAPSHABNLX-INIZCTEOSA-N 310.401 2.860 0 40 DFAB O=C(c1cnccn1)N1CC[C@H](Cc2cccc3ncccc23)C1 72367645 GXHFZVMEKDZKOU-CQSZACIVSA-N 318.380 2.730 0 40 DFAB CC(C)(C)[C@H](NC(=O)CNC[C@@H]1CCCO1)c1ccccc1 195543200 RMLCTUKYYYVCPD-DOTOQJQBSA-N 304.434 2.659 0 40 DFAB CCc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)on1 83233060 LTYSXZDKMHLTKU-JKSUJKDBSA-N 315.373 2.566 0 40 DFAB Cc1ccc(OCc2ncc(C(=O)O)c(NC(C)C)n2)cc1 49469537 QEYWRUXOUIGGSR-UHFFFAOYSA-N 301.346 2.883 0 40 DFAB O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@@H]1c1ccc(O)nn1 530078423 FMNUKMGRCYYNRT-ZYHUDNBSSA-N 311.332 2.671 0 40 DFAB CCOCCCNC(=S)Nc1cccc(C(=O)OCC)c1C 225370588 WGIWZQFPNLNIQH-UHFFFAOYSA-N 324.446 2.885 0 40 DFAB COC(=O)C1CCN(C(=O)CCc2ccc(C)c(C)c2)CC1 225084888 VXHOKJQAHIRFPE-UHFFFAOYSA-N 303.402 2.648 0 40 DFAB COc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2)cc1 224261835 RZVYGTTXZHPRLC-UHFFFAOYSA-N 313.361 2.729 0 40 DFAB Fc1ccc(CCN2CCC(NCC(F)(F)F)CC2)cc1 195577916 AFPWCQAWUNTXGP-UHFFFAOYSA-N 304.331 2.985 0 40 DFAB Cc1ccccc1N1C[C@]2(CCN(C(=O)CC3CC3)C2)CC1=O 96090363 ZEISFGPEKYBCPS-LJQANCHMSA-N 312.413 2.751 0 40 DFAB CN(C)C(=O)COc1ccc2occ(C(=O)c3ccco3)c2c1 96184218 TWNXPJAEOTZPCA-UHFFFAOYSA-N 313.309 2.724 0 40 DFAB CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2CCC(=O)NC2)cc1 96414377 YZSZAGLTUZHAHC-XJKSGUPXSA-N 302.418 2.698 0 40 DFAB CC[C@H]1COCCN1C(=O)Nc1cc(-c2nnco2)ccc1C 96434845 JMHWVFPIOVBJGY-ZDUSSCGKSA-N 316.361 2.688 0 40 DFAB O=C(NC[C@H]1CC12CCN(Cc1nccs1)CC2)C1CCC1 96077331 HLNZJWMNAVHXOK-CQSZACIVSA-N 319.474 2.662 0 40 DFAB Cc1ccc2c(n1)N(CC1CC1)CCN(C(=O)c1ccoc1)C2 96199072 CXTSZTZCJGEDOX-UHFFFAOYSA-N 311.385 2.855 0 40 DFAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)n1 96058187 BLEVYWUPJWHFHV-BFHYXJOUSA-N 305.403 2.792 0 40 DFAB O=C(O)c1cc(/C=C/c2nccn2Cc2ccccc2)ncn1 90072062 XSZDUPINFYLKJH-VOTSOKGWSA-N 306.325 2.590 0 40 DFAB O[C@@H](Cn1ccnc1[C@H](O)c1ccccc1)c1ccc(F)cc1 97375825 NHEFFSFDJMTVOQ-DLBZAZTESA-N 312.344 2.838 0 40 DFAB CCOC(=O)[C@H]1C(=O)OC[C@@H]1c1ccc(Cl)c(Cl)c1 242495343 GCBGUKRFOZBHTH-KCJUWKMLSA-N 303.141 2.813 0 40 DFAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3ccccc3c1)C2 247947377 KENUQQHIYSXPDQ-QGZVFWFLSA-N 311.381 2.860 0 40 DFAB Cc1nc([C@H]2CCCNC2)ncc1C(=O)Nc1ccccc1F 257283083 OWSAGQIBJLDWJQ-LBPRGKRZSA-N 314.364 2.643 0 40 DFAB O=C1c2ccccc2C(=O)N1CCCn1cc(C(F)(F)F)cn1 252488345 IPTGWXFPWBYCKF-UHFFFAOYSA-N 323.274 2.588 0 40 DFAB CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cc[nH]n1 257235307 GXGMMDZPQMIJPJ-OKZBNKHCSA-N 324.428 2.850 0 40 DFAB O=C(CCc1cccs1)N1CCC[C@@H](c2ccncn2)C1 257333952 YDVOBFLKHWPDFR-CYBMUJFWSA-N 301.415 2.877 0 40 DFAB COc1cccc(C2(NC(=O)NCc3cnc(C)o3)CCC2)c1 665115487 KJPNXPWSCXNHGH-UHFFFAOYSA-N 315.373 2.870 0 40 DFAB CCC[C@@H](C)N(C)C(=O)c1nnn(-c2cccc(OC)c2)c1C 44919244 QBUHXPOTKVIOON-GFCCVEGCSA-N 316.405 2.845 0 40 DFAB CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 55452914 KLRTYMRRMGZTBS-UHFFFAOYSA-N 301.308 2.890 0 40 DFAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)NC(C)(C)C 60061043 XILBMLOKKHUXMU-SECBINFHSA-N 316.323 2.738 0 40 DFAB COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)nc1 74475998 YJJLXSRZGBOHEI-LLVKDONJSA-N 316.332 2.841 0 40 DFAB Cc1noc(CCC(=O)NC[C@H](C)Oc2ccccc2Cl)n1 76041344 ZKUQEANFQDDYMF-JTQLQIEISA-N 323.780 2.548 0 40 DFAB O=C1CN(C(=O)Nc2ccccc2Cl)[C@H]2CCCC[C@H]2N1 79104119 JDNFPRGDMBKJPP-OLZOCXBDSA-N 307.781 2.615 0 40 DFAB CC1CCN(CC(=O)Nc2cc(Br)ccn2)CC1 95946200 VUFZCSFDTJKVBG-UHFFFAOYSA-N 312.211 2.515 0 40 DFAB Cc1cnc(CN(C)[C@H]2CCCN(Cc3ccccc3)C2)cn1 96445748 WOCRPJCCJJAFOB-IBGZPJMESA-N 310.445 2.881 0 40 DFAB CC(C)(C)OC(=O)N[C@@H]1CC(=O)CO[C@H]1c1cccc(F)c1 1776011126 REVRTLKUJNRXGV-KGLIPLIRSA-N 309.337 2.750 0 40 DFAB O=C(O)c1cc(N2N=C(C(F)(F)F)CC2=O)ccc1Cl 5670774 LKCZOHWJSZBURT-UHFFFAOYSA-N 306.627 2.693 0 40 DFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1 14313262 SZUFRALIQMZULZ-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 19720464 XTOKLWGMMJVQST-ZACQAIPSSA-N 321.461 2.967 0 40 DFAB CCOc1ccc(/N=c2\scc(OC(C)=O)n2C(C)=O)cc1 5375680 WVOLDJLJETUWCU-NXVVXOECSA-N 320.370 2.766 0 40 DFAB CCCN(Cc1ccc(C)cc1)C(=O)c1cnc(C(=O)O)cn1 574118611 QETJWSQYLLDCHF-UHFFFAOYSA-N 313.357 2.536 0 40 DFAB C[C@H](C[S@](C)=O)N(C)CCCOc1ccc(Cl)cc1 545226323 AZLSBASBIPBHSQ-BLVKFPJESA-N 303.855 2.808 0 40 DFAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 11853359 VQFNHNGUBMGESC-UHFFFAOYSA-N 323.440 2.629 0 40 DFAB COC(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)cc2)c1 40068525 YTIZOMANFKJTOF-UHFFFAOYSA-N 321.336 2.911 0 40 DFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCN1C(=O)c2ccccc2C1=O 102482406 JWYKJTODDJOYSZ-RWMBFGLXSA-N 313.353 2.610 0 40 DFAB CC(C)COC(=O)N1CCC(C(=O)N2C[C@H]3CC[C@H]2C3)CC1 102768106 YLNDTHVGZKMTNS-ZFWWWQNUSA-N 308.422 2.502 0 40 DFAB CCC(=O)N1[C@@H](C)c2[nH]c3ccccc3c2C[C@@H]1C(=O)OC 487052 NFQNBDGQHZZOSN-IINYFYTJSA-N 300.358 2.565 0 40 DFAB biogenic CN1CCN(Cc2ccccc2C(=O)c2ccc(F)cc2)CC1 22028179 OQNFJXWQGNMWGP-UHFFFAOYSA-N 312.388 2.804 0 40 DFAB COc1ncccc1CNC(=O)Cn1c(C)cc2ccccc21 23101820 LJHHAMFVGIXKGP-UHFFFAOYSA-N 309.369 2.670 0 40 DFAB CC(C)Oc1ccccc1CN1CCC[C@H]1C(=O)NC1CC1 54988923 WYRMYQGJZKVYNN-INIZCTEOSA-N 302.418 2.717 0 40 DFAB Clc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3nnnn32)cc1 221817 BBENOCQMEFGXGW-KGLIPLIRSA-N 312.764 2.868 0 40 DFAB CNC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 412296 GMWJOTIDNLBTCQ-MRVPVSSYSA-N 321.471 2.963 0 40 DFAB CC(C)CS(=O)(=O)N1CCC(N[C@H](C)C2CCCC2)CC1 97039043 GDCIAHXJXLFOMN-CQSZACIVSA-N 316.511 2.605 0 40 DFAB O=C(COC(=O)c1ccsc1)c1ccc2c(c1)OCCCO2 7546944 AAJQETSMUNOVIQ-UHFFFAOYSA-N 318.350 2.949 0 40 DFAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccc(O)cc1)CC1CC1 108120300 XANIGDVLZAETQF-IXDOHACOSA-N 301.386 2.698 0 40 DFAB Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 57982350 FOSRISYTSSQIMS-UHFFFAOYSA-N 319.382 2.591 0 40 DFAB O=C1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc2N1 57917014 GEEKBUDFAPZKBC-UHFFFAOYSA-N 319.320 2.941 0 40 DFAB Cc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c(=O)[nH]1 58130438 RWVBPMQKACWLBR-UHFFFAOYSA-N 300.358 2.861 0 40 DFAB CCOC(=O)C[C@H](NC(=O)NCc1ccoc1)c1ccccc1 58168890 UVMLJDOWUAMQLA-HNNXBMFYSA-N 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225757487 UWUARMVPTUQPEC-AWEZNQCLSA-N 300.402 2.923 0 40 DFAB Cc1cc(NC(=O)NC[C@H](O)C(C)C)ccc1N1CCCC1 96420103 UEVIRCJZRQFCMK-INIZCTEOSA-N 305.422 2.734 0 40 DFAB NC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(F)(F)F 199784382 KGDLTOMAGOSJNX-STQMWFEESA-N 316.323 2.782 0 40 DFAB Cc1cc(-c2nc(-c3cnccn3)no2)nn1-c1ccc(F)cc1 95464251 RDHGYFPIRDIKCG-UHFFFAOYSA-N 322.303 2.827 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(O)cc1 95473738 OULHJPPBUAAYOX-CYBMUJFWSA-N 319.386 2.887 0 40 DFAB Cc1ncc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)s1 580337532 HYWMVNYAKVNWBR-INIZCTEOSA-N 302.399 2.680 0 40 DFAB C[C@@H]1CN(Cc2ccoc2)C[C@]12CCN(c1cccnc1)C2=O 96201739 WMMJILXHOQQNII-RDTXWAMCSA-N 311.385 2.550 0 40 DFAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(Cl)c1)C2 248155535 VOTMNWLPHNPVHM-CYBMUJFWSA-N 322.836 2.523 0 40 DFAB C[C@H]1[C@H](CCN(C)C)COCCN1C(=O)c1cccc(Cl)c1 248085979 DNXDYEBLWPYMHU-DZGCQCFKSA-N 324.852 2.769 0 40 DFAB Cc1c[nH]c([C@H]2COCCN2CC2=Cc3ccccc3OC2)n1 257249895 JKEHIQGEJFSWEC-MRXNPFEDSA-N 311.385 2.567 0 40 DFAB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=N)C1 255187874 HHUDNOMYJYDEAU-UHFFFAOYSA-N 322.173 2.803 0 40 DFAB NC1(CNC(=O)N2CCCC(F)(F)CC2)CCCCCC1 627062329 DJKXZAGQWKRKMN-UHFFFAOYSA-N 303.397 2.869 0 40 DFAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3CCC(C)C)cs1 585108965 IIHRVYYZDVDKFB-GJZGRUSLSA-N 307.463 2.673 0 40 DFAB CCC[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 69810886 ZYMZGNZJTGAJBU-CYBMUJFWSA-N 311.389 2.954 0 40 DFAB Cc1cnc(OC2CCN(c3ccnc(C(C)C)n3)CC2)nc1 848759236 INAZDZKVILHOIR-UHFFFAOYSA-N 313.405 2.746 0 40 DFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCC(=O)N2 44868648 ZNZPSZIBOSWXRZ-LLVKDONJSA-N 308.337 2.609 0 40 DFAB Cc1cc(Br)oc1C(=O)Nc1c2c(nn1C)CCC2 48341373 RCYPEFHZIZYRTL-UHFFFAOYSA-N 324.178 2.825 0 40 DFAB CC[C@@H](NC(=O)NCc1cc(C)on1)c1ccc(OC)cc1 60058916 UXUKYSLIFKGCJI-OAHLLOKOSA-N 303.362 2.942 0 40 DFAB Cc1noc(NC(=O)c2ccc(F)cc2Br)n1 58379240 IIFNFKUJJUMTPW-UHFFFAOYSA-N 300.087 2.532 0 40 DFAB O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccc(O)nn1 77163484 WGGDEJKXLSIPNW-UHFFFAOYSA-N 323.356 2.899 0 40 DFAB COc1ccccc1N1CCN(c2nc(C3CC3)ns2)CC1 80761482 JDGWQAMHJZNRAR-UHFFFAOYSA-N 316.430 2.751 0 40 DFAB CC[C@@H]1CCCN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C1 96007311 HKIZBPZVLCNBPB-CYBMUJFWSA-N 309.431 2.919 0 40 DFAB O=C(NCCc1ccccc1)c1ccc(Cn2cccn2)cc1 14051811 KWJBFUQLBWPTKH-UHFFFAOYSA-N 305.381 2.904 0 40 DFAB CCSc1nc2[nH]c(-c3ccccc3Cl)cc(=O)n2n1 14164077 FSHLSUKWOFPKFL-UHFFFAOYSA-N 306.778 2.850 0 40 DFAB COc1ccc(Cl)cc1-n1c(O)nc2ccccc2c1=O 15424669 USEIOCIFTOGLOL-UHFFFAOYSA-N 302.717 2.753 0 40 DFAB COC(=O)[C@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1Cl 16223637 MMMZJVFEDVSBAA-JTQLQIEISA-N 322.748 2.552 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 17481951 VALAJNJJISHOQI-UHFFFAOYSA-N 324.258 2.936 0 40 DFAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 7071476 LDUZPIPSVSEDKH-VSXLWIIGSA-N 318.373 2.785 0 40 DFAB COC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1 19774212 HJXLDFAKVPQANU-UHFFFAOYSA-N 302.305 2.663 0 40 DFAB Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2C)c(=O)[nH]1 19937422 YLXVJMZXRVUCOP-UHFFFAOYSA-N 305.765 2.530 0 40 DFAB Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2C)c(=O)[nH]1 19937423 LTPUYSBGXGKTNR-UHFFFAOYSA-N 305.765 2.530 0 40 DFAB COc1cccc(C[S@](=O)Cc2cc(C)ccc2OC)n1 163667163 DZWNJKRXWKCUAT-NRFANRHFSA-N 305.399 2.856 0 40 DFAB Cc1ccnc2nc(C(=O)Nc3ccc(C(C)(C)C)cc3)nn12 2650439 QDNIKQJDARXZRH-UHFFFAOYSA-N 309.373 2.983 0 40 DFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1Cc2ccccc2O1 7116663 PLJGFQCSSCHMGR-KRWDZBQOSA-N 322.364 2.756 0 40 DFAB O=C(NCCSCc1ccsc1)c1ccc2[nH]nnc2c1 24528869 FJDQPJOGEYXBMW-UHFFFAOYSA-N 318.427 2.683 0 40 DFAB O=C(Nc1ccc(N2CCCC2)cn1)c1n[nH]c2ccccc12 25664847 LVKUVEGYJSZBJY-UHFFFAOYSA-N 307.357 2.810 0 40 DFAB Nc1ccc2nc(S(=O)(=O)Cc3ccccc3)sc2c1 42192359 RZUZIIIHVAWRBG-UHFFFAOYSA-N 304.396 2.852 0 40 DFAB Cc1noc(C)c1CC(=O)NC[C@H](O)c1cccc2ccccc12 206701159 WMBVVTDWOKUNOX-SFHVURJKSA-N 324.380 2.837 0 40 DFAB Cc1ccc(-c2nnn(Cc3noc(-c4cccs4)n3)n2)cc1 40017910 HBUQQXWOLWIZDZ-UHFFFAOYSA-N 324.369 2.808 0 40 DFAB O=C(CC1CCCCC1)Nc1nc(CN2CCOCC2)cs1 40460762 AIJXLWWZBHQRAK-UHFFFAOYSA-N 323.462 2.884 0 40 DFAB c1ccc(CCNc2nc(N3CCCC3)c3nccnc3n2)cc1 32073650 RAZBWORAECZDEM-UHFFFAOYSA-N 320.400 2.675 0 40 DFAB COc1ccccc1N(C)CCCN1C(=O)c2ccccc2C1=O 52190305 FURMKFUOFFFPMK-UHFFFAOYSA-N 324.380 2.818 0 40 DFAB CCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 41195046 UCIIXLTZISPICU-QWHCGFSZSA-N 315.460 2.643 0 40 DFAB CC(C)c1nc2cc(NC(=O)Cn3ccccc3=O)ccc2o1 32818780 WBECSSHSWZBIHE-UHFFFAOYSA-N 311.341 2.752 0 40 DFAB CN(C)[C@@H](CNC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 32819411 UTNYBFZCIULIHS-MSOLQXFVSA-N 324.424 2.657 0 40 DFAB C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 102597905 KFEUWXIJZMHHPO-XWLWVQCSSA-N 315.339 2.993 0 40 DFAB CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)C(C)C)CC1=O 21871541 LUBWIWCXMOXUON-ZIAGYGMSSA-N 318.417 2.599 0 40 DFAB Clc1ccc([C@H](NCc2nnnn2C2CC2)C2CC2)cc1 52827271 IXRSYMSXPWMPSJ-OAHLLOKOSA-N 303.797 2.902 0 40 DFAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCCC2)CC1 22620421 PQVHPXWPCZADIG-CMDGGOBGSA-N 312.413 2.561 0 40 DFAB CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](C)c1ccccc1C 54057656 JTTNOZDFGOHQLE-DZGCQCFKSA-N 322.474 2.820 0 40 DFAB C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@H](C)O1 23991067 LFBMLLAQTBNHKM-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB COC(=O)c1cccc(CSc2ncccc2C(=O)O)c1 80902 DLLHCAWNXZGBOK-UHFFFAOYSA-N 303.339 2.859 0 40 DFAB Cc1ccccc1OC[C@@H]1CN(CN2CCCCC2)C(=O)O1 90378 RSUSNBFQFAHQOC-HNNXBMFYSA-N 304.390 2.638 0 40 DFAB CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(C(C)(C)C)C1 165604 IHBDRSLPLKNNDI-UHFFFAOYSA-N 320.364 2.696 0 40 DFAB O=C(NCCc1ccccc1F)NCc1cn2ccccc2n1 54954120 AZGSSAOADCQAGU-UHFFFAOYSA-N 312.348 2.515 0 40 DFAB CC(C)[C@@H](NC(=O)Cn1ccnn1)c1ccc(Cl)cc1F 96005941 KMNGOUIBCCELAL-CQSZACIVSA-N 310.760 2.584 0 40 DFAB NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 78362443 OCIPTFYELQAWEE-QGZVFWFLSA-N 322.408 2.615 0 40 DFAB COc1ccc(C(N)=O)c(OCc2cc(F)ccc2OC)c1 25007326 CVCNNPGNLJUXCF-UHFFFAOYSA-N 305.305 2.521 0 40 DFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1cscn1 75130525 HWMWWWUGMHKLCQ-AWEZNQCLSA-N 318.446 2.790 0 40 DFAB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)cc1 6426835 QVELFZJCHJKYMP-UHFFFAOYSA-N 300.270 2.854 0 40 DFAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccccc1N 6714309 CEAXEBUQROQYIB-UHFFFAOYSA-N 302.305 2.512 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 35176179 JXTROMXGRPPKTD-JTQLQIEISA-N 313.756 2.894 0 40 DFAB O=C(O)[C@H]1CCCN(Cc2cc(F)ccc2Br)C1 35296552 LZFPWGWDVUCFMU-VIFPVBQESA-N 316.170 2.885 0 40 DFAB Cc1ccsc1CN(C)C(=O)CCn1c(C)csc1=O 57996350 ALAPSELYUVDTHP-UHFFFAOYSA-N 310.444 2.637 0 40 DFAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1F 27350966 AWMKJGRMDJDTOC-CQSZACIVSA-N 304.321 2.689 0 40 DFAB Oc1ccccc1N1CCN(c2ncnc3sccc23)CC1 3261969 GQURBOTYWZEQMN-UHFFFAOYSA-N 312.398 2.724 0 40 DFAB CCc1nc(CC(=O)NCCCOc2ccc(F)cc2)cs1 58343451 OTZUEBIJOWBSEI-UHFFFAOYSA-N 322.405 2.972 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 27967103 IDSHIUYFDRMTKM-XJKSGUPXSA-N 308.447 2.847 0 40 DFAB CN(C)c1cccc(C(=O)NCc2noc(-c3ccccc3)n2)c1 58421447 RGNVNEBGMZPODK-UHFFFAOYSA-N 322.368 2.733 0 40 DFAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCn1ccnc1 20110414 RKBFUDRCYNGZNY-QGZVFWFLSA-N 315.417 2.864 0 40 DFAB Cc1cccc(OCC(=O)NCCCc2nc3ccccc3[nH]2)c1 11485163 MQWMEUQWCVEESJ-UHFFFAOYSA-N 323.396 2.999 0 40 DFAB CCc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 12773339 PAQOPKSMIDUDLN-UHFFFAOYSA-N 307.353 2.598 0 40 DFAB O=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 37435933 UMYUEDFVUBJZBT-SECBINFHSA-N 307.346 2.977 0 40 DFAB CCOc1ccc2oc(C(=O)N3CCCN(C)CC3)c(C)c2c1 3310176 CFTBWRFLKIDRBF-UHFFFAOYSA-N 316.401 2.918 0 40 DFAB COC(=O)/C(=C\Nc1cc(Cl)cc(Cl)c1)n1cncn1 100912837 AIECWDXYPFRFRY-VZUCSPMQSA-N 313.144 2.668 0 40 DFAB COc1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 54358028 PVCGMRBBVLWSQQ-UHFFFAOYSA-N 323.278 2.764 0 40 DFAB O=C1COc2cc(C(=O)N[C@@H](c3ccccc3)C3CC3)ccc2N1 12821309 DFJWUEBDAFLLPE-SFHVURJKSA-N 322.364 2.899 0 40 DFAB O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[C@@H]1c1ccco1 89861157 SVLRHUKKPXQCIH-ROUUACIJSA-N 324.424 2.948 0 40 DFAB CCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1 89941648 SACRJDUYNQQQEM-OAHLLOKOSA-N 306.450 2.818 0 40 DFAB Cc1cc(C)c(CNC(=O)N(C)C2CCS(=O)CC2)c(C)c1 93547935 HEWFWTFGCLBHPZ-UHFFFAOYSA-N 322.474 2.664 0 40 DFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(O)cc1 5060889 GYAKWDWBQKHYMN-UHFFFAOYSA-N 300.310 2.960 0 40 DFAB CC(=O)NC(C)(C)c1noc(/C=C/SCc2ccco2)n1 89954578 KATKLIUSBAZEGG-SOFGYWHQSA-N 307.375 2.938 0 40 DFAB CCOCCO[C@H](C)C(=O)N(C)[C@@H](C)Cc1ccc(OC)cc1 65550533 MTSXOQZNFLOUEZ-LSDHHAIUSA-N 323.433 2.526 0 40 DFAB Cc1cc(C)cc(N(C)C(=O)c2ccc(-n3cnnn3)cc2)c1 65586289 MFPJLEQAZXEIIZ-UHFFFAOYSA-N 307.357 2.556 0 40 DFAB Cc1cc(C(=O)Nc2ccc[nH]c2=O)c(C)n1CC(F)(F)F 65607049 WSIURHRSBWZNLH-UHFFFAOYSA-N 313.279 2.608 0 40 DFAB COc1ccccc1C(=O)COC(=O)c1ccc(Cl)c(N)c1 6421848 YOONBLMXLPAYFE-UHFFFAOYSA-N 319.744 2.971 0 40 DFAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@H]2COc3ccccc3C2)C1 76085864 OKFWQZJMWHDHGF-NWANDNLSSA-N 320.458 2.821 0 40 DFAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 5483502 BTGXTWAGXUCNRG-MRXNPFEDSA-N 314.385 2.855 0 40 DFAB O=C(COc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCCO2 5476362 DTUIIQNSEQRHRE-UHFFFAOYSA-N 321.279 2.754 0 40 DFAB COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1 6624200 JEYUAKQWCMEYBS-UHFFFAOYSA-N 324.336 2.686 0 40 DFAB biogenic Cc1ccc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)o1 6650726 FEBIRYGXGXBPPZ-UHFFFAOYSA-N 301.327 2.652 0 40 DFAB Cn1ccnc1SCCCCN1C(=O)c2ccccc2C1=O 4804308 JLBVBISPAQKFTR-UHFFFAOYSA-N 315.398 2.589 0 40 DFAB CC[C@@H](C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1 5837418 UPSUCWNCZGRLAT-CQSZACIVSA-N 323.348 2.977 0 40 DFAB CC(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939952 XJFMNAKCLJUKGF-UHFFFAOYSA-N 312.348 2.940 0 40 DFAB CC(C)(C)OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 73652924 JWFLUOBUCZPVFJ-UHFFFAOYSA-N 300.399 2.911 0 40 DFAB CCCCN(CCOC)C(=O)c1ccc2c(c1)OCCCO2 68114546 DMPVTOFGTJJBFR-UHFFFAOYSA-N 307.390 2.737 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C2CC2)CC1 71836724 LYZWQAILCOAZHO-UHFFFAOYSA-N 313.376 2.603 0 40 DFAB Cc1csc(N2CCN(CCc3ccccn3)C[C@@H]2C)n1 71877501 JXPDCPHTPQOBFK-AWEZNQCLSA-N 302.447 2.600 0 40 DFAB Cc1cnn(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)c1 71875374 USDRYYSVKYHPLH-CQSZACIVSA-N 301.394 2.507 0 40 DFAB OC[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 8128392 BOBYMCNKSLYYJB-CQSZACIVSA-N 320.396 2.901 0 40 DFAB O=S1(=O)N=C(CSc2ccc(O)cc2)Nc2ccccc21 71867559 YMGYRUQNJUUIHK-UHFFFAOYSA-N 320.395 2.697 0 40 DFAB CCn1nnc2cc(C(=O)Nc3nnc(C(C)C)s3)ccc21 16965898 FSAZDROATLZXJW-UHFFFAOYSA-N 316.390 2.678 0 40 DFAB COc1cc(C(=O)NCc2cccc(-n3cncn3)c2)ccc1C 71910515 GABBYKZHFRDLDO-UHFFFAOYSA-N 322.368 2.514 0 40 DFAB Cc1csc([C@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)n1 69648700 NTEFKKANGBKRNG-QMMMGPOBSA-N 322.365 2.572 0 40 DFAB CCN(C)c1cccc(NC(=O)c2cc3c([nH]c2=O)CCC3)c1 69656758 ROTBWWZLNYWGNB-UHFFFAOYSA-N 311.385 2.572 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)COc1ccccc1F 69744423 BXGMBAAFKFNUFS-DZGCQCFKSA-N 315.344 2.885 0 40 DFAB COC(=O)[C@@H](NC(=O)c1cccc(F)c1F)c1ccccc1 72067462 XJFQWDLTTHGKQP-AWEZNQCLSA-N 305.280 2.609 0 40 DFAB Cc1ccc(CN2CCC[C@H](C(=O)Nc3nncs3)C2)cc1 69918433 SPIPAXKFBRSHOB-AWEZNQCLSA-N 316.430 2.697 0 40 DFAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 18210483 UVBYRSKJMSBTPH-RYUDHWBXSA-N 324.306 2.951 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1 95959648 HZFNKPVSFSVDNN-UHFFFAOYSA-N 301.415 2.722 0 40 DFAB CCOc1ccc(CC(=O)Nc2ccc(C(=O)NC)cc2)cc1 9155816 OIISSJPTUGEDLS-UHFFFAOYSA-N 312.369 2.626 0 40 DFAB Cc1nc([C@H](C)NC(=O)Cc2ccc(F)cc2)sc1C(=O)O 97050145 QYKHOSFNRAUMEF-VIFPVBQESA-N 322.361 2.709 0 40 DFAB CNc1ncc(C(=O)N2CCC[C@H]2COc2ccccc2)s1 97031924 JXBMGIIKXGKIFR-LBPRGKRZSA-N 317.414 2.868 0 40 DFAB CN(C(=O)COc1c(F)cc(F)cc1Br)C1CC1 97085736 RAACHSYYPYVJGD-UHFFFAOYSA-N 320.133 2.727 0 40 DFAB CC(C)c1nc([C@H]2CCCN(C(=O)C3=COCCC3)C2)no1 72271440 SXBBNDQIKDZTLU-LBPRGKRZSA-N 305.378 2.593 0 40 DFAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282919 GJNSTWXCGPDJSC-GXFFZTMASA-N 302.378 2.524 0 40 DFAB COc1c([C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)c(C)nn1C 72234317 GFABHSLZNGJMMD-LBPRGKRZSA-N 322.796 2.696 0 40 DFAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N(CCO)C1CC1 72280716 JGBLWPBSGPLAHV-UHFFFAOYSA-N 318.373 2.717 0 40 DFAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H]1CCCOC1 97145701 SLOIFXHSYJSZBK-HUUCEWRRSA-N 303.402 2.658 0 40 DFAB CCn1c(Cn2nnnc2C(C)(C)C)nc2c(F)cccc21 89305367 NFMXHTRQYCHGCT-UHFFFAOYSA-N 302.357 2.528 0 40 DFAB C[C@@H](NC(=O)NC[C@@](C)(O)c1ccc(F)cc1)c1ccco1 95442672 MRAXMHMTVDXJHS-BDJLRTHQSA-N 306.337 2.687 0 40 DFAB COc1cccnc1N(C)C(=O)[C@H]1C[C@]12CCc1ccccc12 95435492 QRAIOGKXBDBYLT-BEFAXECRSA-N 308.381 2.957 0 40 DFAB O=C(Cc1ccc(F)cc1)N1CC(c2nc3ccccc3[nH]2)C1 56924079 WJRYCUAIDULUQO-UHFFFAOYSA-N 309.344 2.871 0 40 DFAB Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 521394663 ZDOIZMVVSARPKD-ZYHUDNBSSA-N 324.471 2.710 0 40 DFAB O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccc(O)nn1 530074160 YODWBBDHHVCJMN-CQSZACIVSA-N 317.776 2.742 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CN)[C@@H]2c2ccc(F)cc2)cc1 218628333 KJTHRZUGMDHPDK-IXDOHACOSA-N 319.401 2.649 0 40 DFAB Cc1c(Cl)cccc1-c1ccc(CNCCNCCO)o1 32578089 BZDSTXULUNRUFQ-UHFFFAOYSA-N 308.809 2.580 0 40 DFAB COc1c(Cl)cccc1NC(=O)N1CCC[C@@H](N(C)C)C1 77692071 RBTHVHVQYKFGAZ-LLVKDONJSA-N 311.813 2.907 0 40 DFAB O=C(c1ccncc1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 72351217 VKMOLYRKBXFUKT-OAHLLOKOSA-N 306.369 2.978 0 40 DFAB Cc1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)c(=O)[nH]1 81346790 WZIQUZHVEYTIKN-ZDUSSCGKSA-N 318.398 2.515 0 40 DFAB O=S(=O)(c1cccnc1)N1CCC(c2cccs2)CC1 77103471 BODBLFACMSTXFI-UHFFFAOYSA-N 308.428 2.711 0 40 DFAB CC(=O)c1ccc(=O)n(Cc2csc(C3CCCC3)n2)n1 195428896 VNMKGLJKIQPUCZ-UHFFFAOYSA-N 303.387 2.608 0 40 DFAB CCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)N[C@H](C)CC 223139135 WVOXBWYSAVUXOO-OLZOCXBDSA-N 308.397 2.868 0 40 DFAB COC(=O)[C@H](NC(=O)N1CCc2ccccc21)c1ccsc1 193497789 LAVHBPMRPSBDEG-CQSZACIVSA-N 316.382 2.735 0 40 DFAB Cc1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccoc4)C[C@H]23)cn1 96219440 MPXGDCFMDWXGIK-KBAYOESNSA-N 314.385 2.509 0 40 DFAB Cc1ccsc1C(=O)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042079 AQYFTZOVZMNAGE-SOUVJXGZSA-N 321.442 2.855 0 40 DFAB CSCCCNC(=O)Nc1cccc(-c2nccn2C)c1 96413403 PGIFHGBBVCFZPQ-UHFFFAOYSA-N 304.419 2.962 0 40 DFAB c1cc([C@@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)ncn1 96046321 ICUXAIVDUYMNCS-CWRNSKLLSA-N 301.415 2.890 0 40 DFAB O=C([C@@H]1CC=CCC1)N1CCN(c2nncc3ccccc23)CC1 96418529 DRPJIIYTDVTYBB-OAHLLOKOSA-N 322.412 2.635 0 40 DFAB C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)[C@H](C)Oc1ccccc1 95438105 BNHXGSCBAXQZKF-JKQORVJESA-N 320.433 2.645 0 40 DFAB O=C([C@H]1CCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 96425754 AIZQYJAWSMJDKP-GFCCVEGCSA-N 305.271 2.896 0 40 DFAB CO[C@H]1CCCOC12CCN(C(=O)c1cccc(C)c1)CC2 257252922 JWRTXOKZVHMLMI-INIZCTEOSA-N 303.402 2.795 0 40 DFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCNC2)n1 257255932 KJLOOHVHCGJIDC-CYBMUJFWSA-N 300.381 2.816 0 40 DFAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 257267996 MJVCBZDQZDJNJB-HNNXBMFYSA-N 323.396 2.900 0 40 DFAB O=C(Cc1ccsc1)NCc1cnc([C@@H]2CCCCO2)nc1 257290150 QBUHNMFJVSNYAH-AWEZNQCLSA-N 317.414 2.639 0 40 DFAB CC(C)c1nnc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)s1 252498965 RRYAXMISTXMZIR-SECBINFHSA-N 319.386 2.881 0 40 DFAB Cc1nc[nH]c1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1 257343187 ZRVLWUYMOPORAK-AWEZNQCLSA-N 324.432 2.688 0 40 DFAB c1cncc(CO[C@H]2CSC3(C2)CN(CC2CCC2)C3)c1 585105435 WMVMCNOTZYAINL-MRXNPFEDSA-N 304.459 2.958 0 40 DFAB Fc1ccc(CN2CCC[C@@H]2Cn2cncn2)c2ncccc12 69489662 SCKHEBAQBDZUIO-CQSZACIVSA-N 311.364 2.630 0 40 DFAB CCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cc1 72235177 DZWPQTSFTCTIML-QGZVFWFLSA-N 312.417 2.935 0 40 DFAB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@@H](C)C(C)C)c1 55847822 LQAJXTOTLKDTSK-ZDUSSCGKSA-N 305.422 2.916 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1C 54797363 XWKUJFJFKIXTRO-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnns1 40554626 BOWPNCUZIUXVFU-UHFFFAOYSA-N 301.293 2.529 0 40 DFAB CCN(Cc1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O 96405523 GUVQLQFAIPIXGJ-CYBMUJFWSA-N 300.324 2.672 0 40 DFAB CCN(CC)C(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12242288 NGDJLVPDWHKCFX-LZLXCTOHSA-N 313.397 2.915 0 40 DFAB CC[C@H](C)NC(=O)Cn1c([C@@H]2CCCO2)cc2cccnc21 19499980 JHLQLINDGIGJDC-WFASDCNBSA-N 301.390 2.803 0 40 DFAB O=C(/C=C/c1ccco1)OCCOC(=O)/C=C/c1ccco1 5580545 QWHIPMZJDOJBND-KQQUZDAGSA-N 302.282 2.686 0 40 DFAB CC(=O)N1CCC[C@H](c2ccnc(Nc3ncc(C)s3)n2)C1 643550460 IEZIKVLZJMTOSV-LBPRGKRZSA-N 317.418 2.711 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@@H]1CC=CCC1 252572165 YWNZVMABRWAOMC-RBSFLKMASA-N 301.390 2.639 0 40 DFAB c1ccc(-c2nnc(O[C@@H]3[C@H]4C[C@H]5C[C@@H]3CN(C5)C4)s2)cc1 821864283 QZDCYUCETTWCMO-OFTMQHFLSA-N 313.426 2.924 0 40 DFAB Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(F)cc1 15135777 VBKVQJFNHDQFHT-UHFFFAOYSA-N 311.360 2.843 0 40 DFAB Cc1nc(-n2cccc2)sc1C(=O)NCCCc1cnoc1 238886249 QAWDDECKMZINSG-UHFFFAOYSA-N 316.386 2.593 0 40 DFAB CCc1nccn1CC1CN(c2nccn3nc(C4CC4)cc23)C1 2087144443 JHLLRBUETIVCBK-UHFFFAOYSA-N 322.416 2.502 0 40 DFAB CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nnc(C)s1 52215 NFVLEUOAJIXNGV-JTQLQIEISA-N 323.447 2.763 0 40 DFAB CCN1C(=O)Cc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 10825317 SSAUKLZXUFYUPG-UHFFFAOYSA-N 312.344 2.916 0 40 DFAB C[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc23)C[C@@H](C)O1 17246985 FUDPJBJZLBBXRV-BFYDXBDKSA-N 315.413 2.689 0 40 DFAB CC(=O)OC(C)(C)C(=O)c1ccc(OCCN2CCCC2)cc1 575358912 JATVEAIFSYZRKF-UHFFFAOYSA-N 319.401 2.686 0 40 DFAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccnc1 40474205 UXISVJKWCGJGMY-CQSZACIVSA-N 300.362 2.633 0 40 DFAB COC(=O)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)c(C)c1 31727365 CJFPRWDDRCVRDC-VIFPVBQESA-N 319.279 2.688 0 40 DFAB COc1cc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc(OC)c1O 20737982 DCNRDAHAJIDJPX-ZDUSSCGKSA-N 321.358 2.557 0 40 DFAB Cn1ccs/c1=N\C(=O)c1ccc(OC(F)(F)F)cc1 102010997 WESIUTCJOGQJMV-WJDWOHSUSA-N 302.277 2.726 0 40 DFAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1CCOC1 41379358 FLKXXZPQAKBOLX-GFCCVEGCSA-N 302.399 2.505 0 40 DFAB C[C@@H](CCc1ccco1)NC(=O)c1cc2ccccc2c(=O)[nH]1 53281758 HYENFPOJXZTTRS-LBPRGKRZSA-N 310.353 2.872 0 40 DFAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1Cl 67061 ABPZGPXYDKINAU-GFCCVEGCSA-N 310.806 2.648 0 40 DFAB Cc1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1 47894282 LHDNHIISPMCBMD-UHFFFAOYSA-N 324.384 2.846 0 40 DFAB C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 106793088 KDGWFFSYEOGSPR-JCURWCKSSA-N 321.392 2.977 0 40 DFAB CN(C)C(=O)[C@H](c1ccccc1)[C@H](C(=O)N(C)C)c1ccccc1 1681785 VDHODYXITVZLHW-QZTJIDSGSA-N 324.424 2.730 0 40 DFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O 2655906 FVBJVBRNSVDCBM-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB Cn1cc(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)cn1 55865215 PQUBTCKWCCKQOW-INIZCTEOSA-N 301.365 2.856 0 40 DFAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(C(N)=O)c2)C1(C)C 25333988 UIJJIGGCVMQFTF-GJZGRUSLSA-N 300.402 2.640 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 7214338 QASFAEKEJSVHPV-UHFFFAOYSA-N 305.399 2.824 0 40 DFAB Nc1nc(-c2ccc3c(c2)OCCO3)c(Br)s1 57657819 DGWWYSMALZXXMI-UHFFFAOYSA-N 313.176 2.926 0 40 DFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(F)c1F 58224268 WBLBGIHPUIZTPK-CQSZACIVSA-N 322.311 2.951 0 40 DFAB COc1ccc(S(=O)(=O)NCCc2ccccc2C)cc1 9683410 FXMAFXCRSMRIII-UHFFFAOYSA-N 305.399 2.525 0 40 DFAB Cc1ccccc1NC1CCN(CC(=O)NC2CCCC2)CC1 58343428 DKOBWFVMSFBIIO-UHFFFAOYSA-N 315.461 2.930 0 40 DFAB CC(C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 58342139 JYRUFMMXDGZIGQ-CQSZACIVSA-N 321.440 2.801 0 40 DFAB CCCN(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 58339223 WAONSHHXNQEOEL-CQSZACIVSA-N 301.839 2.739 0 40 DFAB Cc1sc2ncnc(N[C@@H](C(N)=O)c3ccccc3)c2c1C 58466373 IQVRWFBUELLRSF-CYBMUJFWSA-N 312.398 2.947 0 40 DFAB CCCN(C)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 58419340 GRPMYWVTYHLKHZ-UHFFFAOYSA-N 319.405 2.947 0 40 DFAB OCCCNc1ncnc2c1[nH]c1ccc(Br)cc12 2213923 GZIUUNSUSGECBI-UHFFFAOYSA-N 321.178 2.668 0 40 DFAB O=S(=O)(N[C@H]1CCc2ccccc21)c1cc(F)cc(F)c1 10753101 XKIHQZGHVWXQHO-HNNXBMFYSA-N 309.337 2.931 0 40 DFAB CCc1noc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)n1 36396156 IHYFFPLKWCSWAY-ZDUSSCGKSA-N 317.389 2.986 0 40 DFAB COc1ccc(-c2nc(CN3C[C@H](C)OC[C@H]3C)co2)cc1 45839347 OBINZOQGOXLRIS-OLZOCXBDSA-N 302.374 2.959 0 40 DFAB O=C(Cc1ccsc1)Nc1cc(C(F)(F)F)c[nH]c1=O 45838089 PEKNTIZPQPPSOT-UHFFFAOYSA-N 302.277 2.636 0 40 DFAB CN(CCCC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1 36966658 AZYNJVVNFACCEV-UHFFFAOYSA-N 303.280 2.571 0 40 DFAB O[C@@H](CNCCc1ccc(Cl)cc1)COCc1ccco1 2647362 HJDMWHWAKURTBT-HNNXBMFYSA-N 309.793 2.643 0 40 DFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1 12391067 KRVOKNGUEQRMDE-AEFFLSMTSA-N 324.380 2.853 0 40 DFAB O=C(NCCCn1ccc2ccccc21)c1ccc2[nH]nnc2c1 12627790 FZBGVWPDNPNFKG-UHFFFAOYSA-N 319.368 2.733 0 40 DFAB COc1ccc(OC)c(CC(=O)Nc2ccc3c(c2)OCO3)c1 20447858 GEFXPNMBGSVXBT-UHFFFAOYSA-N 315.325 2.614 0 40 DFAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 110515864 APMSSFKHMBFNQG-HJWJTTGWSA-N 317.502 2.942 0 40 DFAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccc1 12946937 RMPHIOQUSYQIBD-UHFFFAOYSA-N 308.381 2.672 0 40 DFAB Cc1ccc(SCC(=O)Nc2sccc2C(N)=O)cc1 4496483 WVJZXJJXJLVYCG-UHFFFAOYSA-N 306.412 2.886 0 40 DFAB CCCCn1c(SCC(C)(C)O)nnc1[C@@H](CC)N(C)C 65554205 YVMFRYBBZIZXGC-GFCCVEGCSA-N 314.499 2.954 0 40 DFAB CCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(c2ccncc2)C1 408751577 ZTQCKRVXHUSPHD-GOSISDBHSA-N 309.369 2.847 0 40 DFAB Cc1cc(C)cc(N(C(=O)C(C)(C)C)[C@H]2C=CS(=O)(=O)C2)c1 6805838 SJBVTFZZRHFDCZ-AWEZNQCLSA-N 321.442 2.993 0 40 DFAB O=C(NCCCOC1CCCCC1)c1ccc2c(c1)OCO2 6988831 GCQIWGUJZXHZDH-UHFFFAOYSA-N 305.374 2.885 0 40 DFAB CCN1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1 4937329 INWNNDZJEZGTHA-UHFFFAOYSA-N 315.808 2.906 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)CCc2nccs2)C1 71870763 WFAQGHYPFZVMBR-CYBMUJFWSA-N 318.446 2.698 0 40 DFAB O=C(C1CC1)N1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 306123390 ALYHMPQQDRBCBU-KRWDZBQOSA-N 313.426 2.895 0 40 DFAB CC(=O)N1CCc2cc(C(=O)N3C[C@H](C)S[C@H](C)C3)ccc21 80959552 CCTTXNDRUYXXRL-TXEJJXNPSA-N 318.442 2.562 0 40 DFAB COC(=O)c1cc(CNC(=O)c2ccc(C)cc2)ccc1OC 7841986 CSWDKEXMNSWDPG-UHFFFAOYSA-N 313.353 2.720 0 40 DFAB O=C(CC1CCCCC1)NCCNC(=O)[C@H]1Cc2ccccc21 71916801 ODYSUVVEEMXPNC-KRWDZBQOSA-N 314.429 2.529 0 40 DFAB Cc1nnc([C@H](C)N2CCCN(Cc3ccccc3F)CC2)o1 68973251 BTHZPNNZWCMCMH-ZDUSSCGKSA-N 318.396 2.786 0 40 DFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Cl)nc1 8315725 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CC(C)N1CC[C@H](N[C@@H](C)c2cnc3ccsc3c2)C1=O 89728769 SHPDVUSXHMFSRP-FZMZJTMJSA-N 303.431 2.956 0 40 DFAB O=C(O)COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 20503501 IUMAFVSZRVITOC-XCVCLJGOSA-N 315.300 2.941 0 40 DFAB O=C(Nc1cc(C(=O)N(CC2CC2)C2CCC2)ccn1)C1CC1 552552220 SQGLTXWLOBINHP-UHFFFAOYSA-N 313.401 2.835 0 40 DFAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(O)cc3)C2=O)cc1 409245143 OAAUTSPCUYNQBF-MHWRWJLKSA-N 308.337 2.794 0 40 DFAB O=C(c1cnc2ccccn12)N1CCN(C2CC2)c2ccccc21 547985791 HZJAEDMXWJCPPZ-UHFFFAOYSA-N 318.380 2.964 0 40 DFAB CCCOC(=O)c1cc(N)ccc1Sc1nc(CC)n[nH]1 70462438 JGZLLQSWEURVIC-UHFFFAOYSA-N 306.391 2.667 0 40 DFAB Cc1cc(C(=O)N2CCC(CN(C)C)CC2)c2ccccc2n1 78394457 QQQIATFVDPVBEW-UHFFFAOYSA-N 311.429 2.957 0 40 DFAB O=C(NC[C@@H](O)c1cccs1)C1(c2ccc(F)cc2)CC1 75156003 XPJQNLSNCPDWIA-CYBMUJFWSA-N 305.374 2.769 0 40 DFAB CCC[C@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)O 218755232 YTNWPJMNXNVDKE-INIZCTEOSA-N 313.401 2.605 0 40 DFAB CC(C)[C@@H](NC[C@]1(O)CCOC1)c1ccc(Cl)cc1F 182168429 NWXOYOFKRGENHN-HUUCEWRRSA-N 301.789 2.917 0 40 DFAB CN(C)CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 188889784 YBVWIKBCEXNDMJ-UHFFFAOYSA-N 318.314 2.554 0 40 DFAB c1cn(CCNC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 131833462 AUQNAXGZLUVURT-UHFFFAOYSA-N 313.401 2.713 0 40 DFAB COC(=O)c1ccc(OC)c(NC(=O)NC2CCCCC2)c1 225758126 QUDRITLQAGKUPU-UHFFFAOYSA-N 306.362 2.936 0 40 DFAB Cc1ccc(-c2nnsc2C(=O)NCc2ccncc2)cc1 225773392 YCXCMMMYBFNVPS-UHFFFAOYSA-N 310.382 2.839 0 40 DFAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1C 226390935 ANPKQPKERIPPSY-QHNADIDASA-N 322.408 2.726 0 40 DFAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NC)n2)cc1 225198812 GRPGRTNRTZTWAI-UHFFFAOYSA-N 317.418 2.844 0 40 DFAB C[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)C(C)(C)CN(C)C 85423404 JTCTWZIAEFDKME-KBPBESRZSA-N 321.469 2.623 0 40 DFAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)o1 222992039 VCMVXKWXTUOGOD-LSDHHAIUSA-N 317.414 2.602 0 40 DFAB c1ccc(-c2nc(N3CC[C@@H](OCc4ccncc4)C3)no2)cc1 192901548 UEUYRRHENBMMMW-MRXNPFEDSA-N 322.368 2.927 0 40 DFAB Cc1cccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 97096569 GSJXKVPQVPUCJO-HOTGVXAUSA-N 303.450 2.716 0 40 DFAB OC[C@@H]1CCCN1Cc1cc(Br)cc2cccnc12 96469686 OJCLIEWRMDDAEO-AWEZNQCLSA-N 321.218 2.954 0 40 DFAB C[C@H](C(=O)NCCc1nncn1C1CC1)c1cc2ccccc2o1 96451276 CUPXEQACPORPQJ-LBPRGKRZSA-N 324.384 2.822 0 40 DFAB CC[C@@H](C)Oc1cc(C(=O)Nc2c(C)c(C)nn2C)ccn1 96494709 QXTMDBOVTZRQFK-SNVBAGLBSA-N 302.378 2.862 0 40 DFAB O=C(NCC1(c2ccccc2F)CC1)c1cc(O)cc(O)c1 97101997 WFPOLBKEYKWOPN-UHFFFAOYSA-N 301.317 2.699 0 40 DFAB C[C@H]1CN(CC(=O)Nc2nccs2)C[C@H](c2ccsc2)O1 96469934 HMKKKCIDBHROQT-CMPLNLGQSA-N 323.443 2.605 0 40 DFAB CSC[C@@H](NC(=O)CCCn1ccnc1)c1ccccc1 96412260 ZWDNHHXFEKOIFK-OAHLLOKOSA-N 303.431 2.884 0 40 DFAB CCc1nc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cs1 331607264 VWWNGKVBRGVZIS-GJZGRUSLSA-N 316.426 2.583 0 40 DFAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@H]12 96058425 BCYPBELOXVVJNR-HKUYNNGSSA-N 310.397 2.768 0 40 DFAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCCOC1 96430940 CTDWLDBRJYPCKE-ZDUSSCGKSA-N 319.792 2.743 0 40 DFAB CN(Cc1ccc([S@](C)=O)cc1)Cc1ccsc1C(=O)O 580652248 DSKOPIHDKDXGQW-NRFANRHFSA-N 323.439 2.816 0 40 DFAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCOC2)c1C 96428213 ITFYDELJDKLERP-WBVHZDCISA-N 323.458 2.807 0 40 DFAB O=S(=O)(c1cccnc1)N1CC[C@H]1c1ccc(Cl)cc1 96428605 CHGGDLGMZFTRBV-AWEZNQCLSA-N 308.790 2.871 0 40 DFAB O=C(OCC[C@H]1CCCO1)C1(c2ccc(F)cc2)CCOCC1 96453086 KQGDSLWTUYUHBR-MRXNPFEDSA-N 322.376 2.986 0 40 DFAB CC[C@@H]1CCCCCN1C(=O)CCOc1ccc(C(N)=O)cc1 96451342 PPUUKFAMIWYHID-OAHLLOKOSA-N 318.417 2.736 0 40 DFAB CCn1cc(C2CCN(Cc3noc(C(C)(C)C)n3)CC2)cn1 65458686 JBLCEOCRLMGEBF-UHFFFAOYSA-N 317.437 2.963 0 40 DFAB CC(C)C(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 257233707 GQIPOERHRQMMRO-MRXNPFEDSA-N 314.429 2.852 0 40 DFAB Cc1noc(C)c1CS(=O)(=O)Cc1cc(F)ccc1F 65476309 ALIIZZMXARXAJO-UHFFFAOYSA-N 301.314 2.685 0 40 DFAB O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2ccncc2)C1 257275274 NOQUVRLCNMBXKD-GOSISDBHSA-N 319.364 2.844 0 40 DFAB O=C(c1cnco1)N1CCC(Cc2cnc3[nH]ccc3c2)CC1 257253497 JZEBTNFFEXYPDP-UHFFFAOYSA-N 310.357 2.646 0 40 DFAB O=C(c1ccncc1)N1CCC(c2csc3nccn23)CC1 257242718 IDUZODBTSUFTGC-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB COc1ccc([C@H]2CNCCN2C(=O)CCc2ccccc2)cc1 257337389 YSPMVLSNYNKGMB-LJQANCHMSA-N 324.424 2.801 0 40 DFAB CCCC(=O)N1CC2(C[C@H](OCc3csc(C)n3)CCO2)C1 575403389 HRPYWGYOGVCWPA-CQSZACIVSA-N 324.446 2.528 0 40 DFAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2cccn2C)cc1 585276334 IHLXRKHKHYJXCN-ROUUACIJSA-N 312.413 2.542 0 40 DFAB CCCN1CCCN(C(=O)CCC(=O)c2cccs2)CC1 71850308 OQNGBISURDCXFW-UHFFFAOYSA-N 308.447 2.655 0 40 DFAB Cn1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cn1 55525239 HBYROGSMRANJDK-AWEZNQCLSA-N 303.793 2.921 0 40 DFAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccnc1Cl 73768348 LQWPOVQVAOKWTL-UHFFFAOYSA-N 300.742 2.983 0 40 DFAB O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 60276700 BYKUUGZMHITWIZ-UHFFFAOYSA-N 308.071 2.907 0 40 DFAB in-vitro CC(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 57361629 ALTNBRIEEVJBGZ-UHFFFAOYSA-N 320.408 2.670 0 40 DFAB Cc1c(Br)cccc1C(=O)N[C@@H](C)Cn1ccnc1 88444986 VMEROMYSWKFSBY-JTQLQIEISA-N 322.206 2.773 0 40 DFAB CCOc1ccc(OCC)c(NC(=O)[C@H](C)n2ccnc2)c1 42129807 QQOOHLPSGDOKJW-LBPRGKRZSA-N 303.362 2.880 0 40 DFAB COc1ncc(Cl)c(N[C@@H](C)Cc2c(C)nn(C)c2C)n1 95970978 GUHQPZAZDLYKOE-QMMMGPOBSA-N 309.801 2.532 0 40 DFAB O=C(N1CCCC1)N1CCC(c2ccc3c(c2)OCO3)CC1 5000968 ZZSUIYLELNVUKF-UHFFFAOYSA-N 302.374 2.811 0 40 DFAB COc1ccc(/C=C/c2cccc[n+]2C)cc1Cn1cccn1 5002340 HPXRSXBXFZPYLL-VQHVLOKHSA-N 306.389 2.935 0 40 DFAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccccn2)C1 12089298 SLHANQORVAUSJQ-HNNXBMFYSA-N 309.369 2.827 0 40 DFAB COc1coc(C(=O)Nc2nc3ccccc3s2)cc1=O 16850785 ZHKWYHOMYXJLMC-UHFFFAOYSA-N 302.311 2.510 0 40 DFAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(F)c(F)c1 17048301 SHLSEMHJCADJPO-VIFPVBQESA-N 310.325 2.718 0 40 DFAB Cn1cc(-c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)cn1 19290748 QJIYVRFNKFBURK-UHFFFAOYSA-N 309.304 2.642 0 40 DFAB OCCN(Cc1cccs1)Cc1n[nH]nc1-c1ccccc1 19373944 MCNDCJSMRGXEFE-UHFFFAOYSA-N 314.414 2.528 0 40 DFAB Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1ccn(C)n1 19580073 FRXKAIKHROSOJI-CQSZACIVSA-N 302.378 2.782 0 40 DFAB O=C1C[C@H](c2nnc(S)o2)CN1Cc1ccc(Cl)cc1 1889103529 BWOIXHOJPGGPMD-VIFPVBQESA-N 309.778 2.528 0 40 DFAB O=C(O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 7053783 RSXGYSLICMLOMA-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB COc1ccc2sc(N(C[C@H]3CCCO3)C(C)=O)nc2c1 10889880 SIMDOQWRLGEFHL-GFCCVEGCSA-N 306.387 2.837 0 40 DFAB O=C(NC[C@@H](OCCO)c1ccsc1)Nc1ccc(F)cc1 585150715 CCASLHMBMSXQNI-CQSZACIVSA-N 324.377 2.759 0 40 DFAB Fc1ccc2c(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)ncnc2c1 2298063128 IGEZERVKJSBEOP-BETUJISGSA-N 312.392 2.689 0 40 DFAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)c1 30274059 WRDHSPPVAVMUAE-KPZWWZAWSA-N 324.380 2.826 0 40 DFAB CCc1c(C(=O)N2CCO[C@H](C)C2)cnn1-c1cccc(C)c1 40498459 ZPJXUYUBTYCITO-CQSZACIVSA-N 313.401 2.604 0 40 DFAB O=C(CNc1cccc(Br)c1)NCC(F)(F)F 40460993 SMPKFBVEKFWMKR-UHFFFAOYSA-N 311.101 2.540 0 40 DFAB O=c1[nH]c(CNCc2ccco2)nc2sc3c(c12)CCCC3 31934684 HOHFYKSPATUTJN-UHFFFAOYSA-N 315.398 2.746 0 40 DFAB O[C@@H](CN1CCC[C@H]1c1cccc(Cl)c1)Cn1cccn1 52077975 PEALOJFBGAMMRF-HOTGVXAUSA-N 305.809 2.735 0 40 DFAB Cc1nc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccc(F)cc1 32841508 NSYIIHGMALBCIM-TXEJJXNPSA-N 316.380 2.833 0 40 DFAB O=C(O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccccc1 33047669 VVKSFTWMMBOCPX-CMDGGOBGSA-N 321.329 2.937 0 40 DFAB Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCOCC2)cc1 23105832 KDCARWXUWQUQFD-IBGZPJMESA-N 324.424 2.798 0 40 DFAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1C 42733691 UWMWUIWTMXKVDR-YGRLFVJLSA-N 313.401 2.511 0 40 DFAB O=C(COc1cccc(Br)c1)Nc1cccnc1 140209 LKVDDECMIPHNII-UHFFFAOYSA-N 307.147 2.862 0 40 DFAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 203396 KIHNSJPCFXRVEE-OAHLLOKOSA-N 317.316 2.780 0 40 DFAB COc1ccc(CNC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)cc1 352916 BPTCTPYLUHDTEM-FZKQIMNGSA-N 301.386 2.707 0 40 DFAB CCOC(=O)CN(CCOC)C(=O)CC/C=C/c1ccccc1 78824966 UABUIKAZYLOPTN-YRNVUSSQSA-N 319.401 2.518 0 40 DFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)C 1400362 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COc1ccc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)cc1F 58379685 BAIWYFFTFPVJOX-LLVKDONJSA-N 320.412 2.793 0 40 DFAB CCc1sc(C(=O)Nc2cnn(CCN(C)C)c2)cc1C 58392509 CWQHKWFUONVSFO-UHFFFAOYSA-N 306.435 2.629 0 40 DFAB Cc1cc([C@H]2CCCN2C(=O)NCCc2csc(C)n2)on1 45489399 SGDOQKSEYWAPKA-CYBMUJFWSA-N 320.418 2.837 0 40 DFAB Cc1ccc(C)c(OCc2nnc(S[C@H]3CCOC3=O)o2)c1 3280111 BXNTXWMMNPUJPS-LBPRGKRZSA-N 320.370 2.673 0 40 DFAB Cc1csc(N2CCN(c3ncnc4ccccc34)CC2)n1 29585791 XYAPVGXSLRHXEL-UHFFFAOYSA-N 311.414 2.721 0 40 DFAB COc1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cn1 46469216 WWJKPOFCWRNERE-CYBMUJFWSA-N 317.393 2.523 0 40 DFAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NCCO)CC1 100177908 ONSQWWIRQUCTIW-OKILXGFUSA-N 300.443 2.525 0 40 DFAB CCOC(=O)c1cnn2c1N[C@H](C1CC1)C[C@@H]2C(F)(F)F 2766777 YMQLVZHHLOBRQO-VHSXEESVSA-N 303.284 2.757 0 40 DFAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccnc1N1CCCC1 48172453 DWUKCUXIFUHQOS-ZIAGYGMSSA-N 317.437 2.981 0 40 DFAB CSCC[C@H]1NC(=S)N(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)C1=O 102139951 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CSc1nc(C)c(CCC(=O)Nc2ccccc2F)c(=O)[nH]1 14076018 CRNOUROIITWMLI-UHFFFAOYSA-N 321.377 2.511 0 40 DFAB CC1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 14095798 RNYUZHFTUUPVSF-CQSZACIVSA-N 304.415 2.748 0 40 DFAB O=C(Nc1nncc(-c2ccccc2)n1)NC(C1CC1)C1CC1 65553262 OVBCAYSSBZMWSK-UHFFFAOYSA-N 309.373 2.849 0 40 DFAB Cc1nn(CN2CCO[C@H]3CCCC[C@@H]32)c(=S)n1C1CC1 65553298 IWRLPDWYTFCEIT-KBPBESRZSA-N 308.451 2.658 0 40 DFAB O=C(Nc1cccc2cccnc12)c1ccc(-c2nnn[nH]2)cc1 14183831 WXNMTQNONDYHRN-UHFFFAOYSA-N 316.324 2.667 0 40 DFAB O=C(COC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2 6609189 KOUSCCKWBLZHPE-UHFFFAOYSA-N 324.332 2.944 0 40 DFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2)[C@@H]1C 5676877 BQLTXKJFFOJRET-FMKPAKJESA-N 319.401 2.550 0 40 DFAB COCCCN(C)C(=O)c1ccc(F)c(Br)c1 96430741 XMZMZPJMRURHOP-UHFFFAOYSA-N 304.159 2.697 0 40 DFAB COc1cc(C)c(NS(=O)(=O)c2cccs2)cc1OC 7050686 CTZDYYCNTJBYJE-UHFFFAOYSA-N 313.400 2.875 0 40 DFAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1cccc2ccccc12 9509103 ZMLWJCMBEKBMCV-SECBINFHSA-N 313.386 2.659 0 40 DFAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCC(C)C)n1C 7554988 OXJJGEUKWAPSNO-NSHDSACASA-N 322.434 2.636 0 40 DFAB CN(C)CCCOC1CCN(C(=O)Nc2ccccc2F)CC1 75094039 POANYUIPBNSSNH-UHFFFAOYSA-N 323.412 2.790 0 40 DFAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1 7943366 OEHGFRHDGFJPNO-UHFFFAOYSA-N 311.309 2.621 0 40 DFAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 8391327 ZPWQXJBKVQCUCD-UHFFFAOYSA-N 324.427 2.559 0 40 DFAB O=C(NCCO)Nc1ccc(OCc2ccco2)c(Cl)c1 69464700 UXJZTTSUWOTACD-UHFFFAOYSA-N 310.737 2.626 0 40 DFAB Cc1[nH]ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91758111 DUKAPNGBYQAKIR-XHDPSFHLSA-N 306.312 2.549 0 40 DFAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](n2ccnc2)C1 69662333 IALPMGUDNQCXQU-DOTOQJQBSA-N 313.401 2.652 0 40 DFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@@H](n2ccnc2)C1 69774287 AKSMKKZXLBUCFC-GFCCVEGCSA-N 312.348 2.981 0 40 DFAB CO[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 69739482 KBPRSUAODUDHOJ-GOSISDBHSA-N 324.380 2.922 0 40 DFAB Cc1cc(C)n([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 69981493 IJBPDSYFUCPAKO-CQSZACIVSA-N 303.431 2.968 0 40 DFAB O=C(CCn1ccnc1)NCCc1ccc(C(F)(F)F)cc1 69975188 ZHPGXZMTYOMKPV-UHFFFAOYSA-N 311.307 2.651 0 40 DFAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](n2ccnc2)C1 69918113 XUKDQYVONGPBKJ-AWEZNQCLSA-N 312.348 2.981 0 40 DFAB CCn1nc(C)cc1NC(=O)[C@H](C)Cn1nc(C)c(Cl)c1C 28240134 RRRCTFWMSYCOCB-SECBINFHSA-N 323.828 2.953 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cccnc1C(F)(F)F 97032077 DBTRAHHUFNSHBO-NSHDSACASA-N 322.286 2.834 0 40 DFAB COc1ccc([C@H](NC(=O)c2ccccc2)c2nccn2C)cc1 9115528 KUFPFPURUIJEBW-KRWDZBQOSA-N 321.380 2.948 0 40 DFAB Cn1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1=O 95953242 AYSWCYMQKUKOOF-QGZVFWFLSA-N 310.397 2.623 0 40 DFAB O=C(NCc1ccc2c(c1)CCC2)N[C@@H]1CCO[C@@H](C2CC2)C1 97142543 WRXYCEGAFOHSEC-QZTJIDSGSA-N 314.429 2.932 0 40 DFAB CCN(Cc1ccoc1)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97110209 UDUCRUGCAYHSRY-OAHLLOKOSA-N 316.357 2.505 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)CCCc1cccs1)C2 97198975 BWMQOUUWXGWPJW-ZDUSSCGKSA-N 303.431 2.707 0 40 DFAB C[C@@H](Cc1ccc2ccccc2c1)N[C@H]1CCCS(=O)(=O)C1 95984997 ADHQVFIUOTXETA-KSSFIOAISA-N 317.454 2.938 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cccc(F)c1F 95980316 HMASEHXMWMUMKB-ZDUSSCGKSA-N 321.327 2.518 0 40 DFAB O=C(Nc1cccc(-c2ncco2)c1)N[C@H]1CCc2[nH]ncc2C1 95975328 XUVIZJKTCLQPSX-AWEZNQCLSA-N 323.356 2.744 0 40 DFAB Cc1ncccc1Oc1ncnc(N2CCc3[nH]cnc3C2)c1C 95380169 CUYYTQHUTMCZGM-UHFFFAOYSA-N 322.372 2.567 0 40 DFAB FC(F)(F)c1nnc(NCc2ccc3c(c2)OCCO3)s1 95990261 ANNIDQHUAFBUKK-UHFFFAOYSA-N 317.292 2.940 0 40 DFAB C[C@H](c1nc(C2CC2)no1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 95971487 DZWSYMNPQYPOCY-PWSUYJOCSA-N 322.409 2.607 0 40 DFAB O=C(c1ccccc1Cn1cncn1)N1CC[C@H](c2ccco2)C1 95403543 BTCXTHXVIAWFQA-HNNXBMFYSA-N 322.368 2.549 0 40 DFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 36773642 VXVDOVXCFVQFPP-UMVBOHGHSA-N 318.392 2.874 0 40 DFAB CCOCCCNC(=S)Nc1cccc(C(=O)OCC)c1 61247308 LEUOPTPNCJJMGX-UHFFFAOYSA-N 310.419 2.576 0 40 DFAB O=S(=O)(NCc1ccc(-c2ccccc2)s1)[C@@H]1CCOC1 528447160 WUNQQQBFLSGJFH-CQSZACIVSA-N 323.439 2.623 0 40 DFAB CCOc1cc(C(=O)Nc2nccs2)nn1-c1ccccc1 72264722 LUUKEMSOYRZUQA-UHFFFAOYSA-N 314.370 2.980 0 40 DFAB CCN1CCC[C@H]1CNc1ncnc2c1cnn2-c1ccccc1 72238778 YJTNEUDTPQLASB-HNNXBMFYSA-N 322.416 2.712 0 40 DFAB Cn1cc(C(=O)N2CC[C@H](Cc3cccc4ncccc34)C2)cn1 72367654 NYEQEKGEFDMDQK-CQSZACIVSA-N 320.396 2.673 0 40 DFAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O 36635382 MSTPTOQSOMYVMA-CQSZACIVSA-N 310.353 2.748 0 40 DFAB COc1ccc(Cl)cc1NC(=O)NC[C@](C)(O)c1ccco1 75156364 PIWPFKMWUFBMGA-HNNXBMFYSA-N 324.764 2.971 0 40 DFAB Cn1nc([C@H]2CCCN(Cc3ccccc3)C2)c2nccnc21 72393841 BAOCPCDEKLRPJY-HNNXBMFYSA-N 307.401 2.743 0 40 DFAB O=C(NC1CCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 43733622 SHAQXPZQTRQOJD-NSHDSACASA-N 306.793 2.752 0 40 DFAB Cc1ccc(NC(=O)NCc2nccc(N3CCCC3)n2)cc1 224153381 CIKSBVUNDHLMDP-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CC 223467709 HDQZJEYRRIZNAK-AWEZNQCLSA-N 320.433 2.739 0 40 DFAB CC(C)n1ncc2c1C[C@@H](Nc1ncnc3ccncc13)CC2 567662420 DLULZBSBWINCIN-ZDUSSCGKSA-N 308.389 2.772 0 40 DFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)OCC(C)C 42467188 MYAKNFHFSWTYNW-NSHDSACASA-N 308.378 2.653 0 40 DFAB CC[C@H](COc1ccccc1)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2 195543507 MHUHHUGPUDJUNF-IFFAKLHKSA-N 316.445 2.881 0 40 DFAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc3ccncc3n2)on1 570676346 OEFCKYJIWHDSGS-HNNXBMFYSA-N 308.341 2.904 0 40 DFAB CC(C)c1nc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)c[nH]1 80753189 UFDSDNCHJBXQFW-LLVKDONJSA-N 321.402 2.509 0 40 DFAB COc1ccc(OC)c(C[C@@H](Oc2ccccc2)C(=O)O)c1 225114237 YXQDIWKIBGHQBS-MRXNPFEDSA-N 302.326 2.779 0 40 DFAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1 222744110 YMPSULHAPIPAIZ-OAHLLOKOSA-N 310.397 2.740 0 40 DFAB Cc1cccc(NC(=S)NCCN(C)c2ccccc2)n1 225572513 NRUJZYPWGBWILT-UHFFFAOYSA-N 300.431 2.813 0 40 DFAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1Cl)C(=O)O 40710582 JGLYNQNKMZDVET-LLVKDONJSA-N 317.744 3.000 0 40 DFAB C[C@H]1CN(CCSCc2ccccc2)CCN1CC(C)(C)O 192804479 LFAMCKUHENLICY-INIZCTEOSA-N 322.518 2.697 0 40 DFAB COC(=O)c1coc(C(=O)N(C)c2ccc(C)c(N(C)C)c2)c1 195562812 VBSSADRZFSSYHA-UHFFFAOYSA-N 316.357 2.717 0 40 DFAB O=C(N[C@@H]1COc2ccccc21)N[C@H]1CCO[C@H]1c1ccccc1 96446982 PLQHJDSVZAZBDQ-JZXOWHBKSA-N 324.380 2.950 0 40 DFAB C[C@@H](CCO)NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 96415777 CZYOHYJIEGKNLG-VIFPVBQESA-N 319.327 2.664 0 40 DFAB Cc1cccc(C)c1NCC(=O)NC[C@H]1CCN(C(C)C)C1 96426311 FOLDEWXTHHTQLG-MRXNPFEDSA-N 303.450 2.562 0 40 DFAB CC(=O)NCCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 96437580 DDHCGDPEJPYCQI-QGZVFWFLSA-N 317.433 2.676 0 40 DFAB O=c1c2cc(Br)ccc2cnn1Cc1ccncc1 95095834 NKLABNQYGBGEKM-UHFFFAOYSA-N 316.158 2.602 0 40 DFAB COc1cc(NCc2cn(C(C)(C)C)nn2)c(C)c(OC)c1 337269212 YMRRSACYLMKPCO-UHFFFAOYSA-N 304.394 2.971 0 40 DFAB O=C(NCCCSc1ncnc2ccsc12)C(F)(F)F 96481630 VLJVMVSSMSTBFT-UHFFFAOYSA-N 321.349 2.852 0 40 DFAB Cc1csc([C@H](NC(=O)c2ccnc(N(C)C)c2)C2CC2)n1 96425426 OZNPCATYBHFPKT-CQSZACIVSA-N 316.430 2.794 0 40 DFAB CN(C)CCn1ccc2ccc(NC(=O)c3cccn3C)cc21 96418536 RMSZJSQOKGNERB-UHFFFAOYSA-N 310.401 2.794 0 40 DFAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccccc1F 253394214 ALFCTTKNSVMOQF-JOCQHMNTSA-N 315.348 2.736 0 40 DFAB Cc1ccccc1OCC(=O)N1CCC[C@]12CCCN(C)CC2 585099952 AUMBJXVFMARWBN-IBGZPJMESA-N 316.445 2.851 0 40 DFAB CN(Cc1ccncc1)C(=O)NCCOc1ccc(F)c(F)c1 72270238 PWYLMQNMIMMOQU-UHFFFAOYSA-N 321.327 2.580 0 40 DFAB Cc1cc(OC[C@@H]2CCCN(Cc3coc(C)n3)C2)ccn1 1776000446 CHHXFGRDEXPGFS-OAHLLOKOSA-N 301.390 2.977 0 40 DFAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(F)cc1 48545993 BZDJEYGZPROWOL-WEVVVXLNSA-N 301.317 2.912 0 40 DFAB Oc1c(Br)ccc(I)c1F 90413880 BADQACQRTYPWKS-UHFFFAOYSA-N 316.895 2.898 0 40 DFAB in-vitro CC(C)(C)C(=O)N[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1 98175007 VHKDUCAIIDIWAR-SNVBAGLBSA-N 303.280 2.993 0 40 DFAB COCC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615157994 PGMQHSJOLMJGDV-GOSISDBHSA-N 320.408 2.822 0 40 DFAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1 11901499 XDGITKOCPBOJKK-UHFFFAOYSA-N 317.410 2.705 0 40 DFAB Cc1cc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)no1 12391249 BGWZCFPCPILMNA-UHFFFAOYSA-N 301.306 2.955 0 40 DFAB COc1ccc([C@@H]2[C@H]3C(C)=NN=C3C[C@@](C)(O)[C@@H]2C(C)=O)cc1 13142923 HDMQMOKRQPHFHG-BSDSXHPESA-N 314.385 2.585 0 40 DFAB COc1cccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 13668130 WMHLEBWKDUFEEZ-GJZGRUSLSA-N 304.434 2.793 0 40 DFAB O=C(O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 13340876 FVTUBCMJYCHDPO-UHFFFAOYSA-N 311.746 2.839 0 40 DFAB O=C(c1cccc(OC(F)(F)F)c1)N1C[C@H]2C[C@H]1CS2 575606448 JNGTVDXJTXZRHF-GXSJLCMTSA-N 303.305 2.915 0 40 DFAB Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)O 26423603 HQUKYKXMJAIJLI-UHFFFAOYSA-N 324.789 2.651 0 40 DFAB Cc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(=O)O 13411119 SJZRPQFKJDTUDA-ZDUSSCGKSA-N 313.353 2.949 0 40 DFAB O=C(CSc1nccn1Cc1ccco1)Nc1nccs1 4248875 TWLBYENEWRXVNY-UHFFFAOYSA-N 320.399 2.712 0 40 DFAB Cc1nnc(NC(=O)Cc2cc(-c3cccs3)on2)s1 12422272 VGQLNWXRTXBAHG-UHFFFAOYSA-N 306.372 2.744 0 40 DFAB Cc1nccc(O[C@H]2CCN(C(=O)c3cc4ccccc4o3)C2)n1 575612030 IHESRUUJVOYEDK-AWEZNQCLSA-N 323.352 2.825 0 40 DFAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1 13571981 JGSWBJQSMDXVTO-LLVKDONJSA-N 313.386 2.862 0 40 DFAB O=C(c1ccc(=O)[nH]c1)N(Cc1ccccc1)Cc1ccco1 40159927 VNNIZBOCCLHQPB-UHFFFAOYSA-N 308.337 2.811 0 40 DFAB Cc1cccc(C(=O)NCc2cn3cc(Cl)ccc3n2)n1 40493545 GOSBQQNRIODREF-UHFFFAOYSA-N 300.749 2.621 0 40 DFAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(N2CCCC2)CC1 51952928 OPBZXLFSJYPTPA-ZDUSSCGKSA-N 306.454 2.988 0 40 DFAB Cc1nc2cc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)ccc2o1 102633795 OCIKOZQEUOKDGF-CHPZLBCBSA-N 312.325 2.598 0 40 DFAB CC(C)CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCOC2)cc1F 78877052 JFKKWDSENXXSGB-LBPRGKRZSA-N 322.380 2.577 0 40 DFAB O=C(NCc1ccncc1)c1cc(Br)ccc1F 12551948 RMGWWJHVVZFGDB-UHFFFAOYSA-N 309.138 2.913 0 40 DFAB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H]2C(C)=NN=C2C[C@]1(C)O 4111566 OATADCACUCTNIL-NCOADZHNSA-N 302.349 2.716 0 40 DFAB CCN(CC)C(=O)/C(=C\c1ccncc1)NC(=O)c1ccccc1 4854920 NETTYAYILLIYGA-SAPNQHFASA-N 323.396 2.721 0 40 DFAB CCOCCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1 4921089 KXJYNJVHWYSUIX-UHFFFAOYSA-N 317.389 2.520 0 40 DFAB COc1ncccc1NC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 58080394 AFSXPNWBAFWUGJ-GUYCJALGSA-N 320.437 2.722 0 40 DFAB COc1ccc(CCC(=O)N[C@H](C)c2ccncc2)cc1OC 27404090 KQKPGWBOXVXLDM-CYBMUJFWSA-N 314.385 2.909 0 40 DFAB CCCCNS(=O)(=O)c1ccc(OC)c(Br)c1 2065720 KVKYXDCCQBGWID-UHFFFAOYSA-N 322.224 2.536 0 40 DFAB Cc1cc(C(=O)NCCN(C)c2ccccc2)nn1C(C)(C)C 44972935 COEIWPABQKTJME-UHFFFAOYSA-N 314.433 2.813 0 40 DFAB CCN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccco1 3246943 ZBOZJPMIJXHSGR-ZHACJKMWSA-N 313.353 2.885 0 40 DFAB C[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@@H](C)O1 58341067 HJWOICPPMHVXMC-TXEJJXNPSA-N 319.792 2.775 0 40 DFAB CCCOc1ccc(N(Cc2cc(C)no2)S(C)(=O)=O)cc1 96000697 LPEHGHXCCHDQGD-UHFFFAOYSA-N 324.402 2.738 0 40 DFAB COc1c(CN[C@@H]2CCCOc3ccc(F)cc32)c(C)nn1C 58426863 IPHCQLXUIBEDHK-OAHLLOKOSA-N 319.380 2.880 0 40 DFAB COc1cc([C@@H]2NC(=O)c3ccccc3O2)cc(OC)c1OC 2205206 FDNNIPRDWWXVPS-QGZVFWFLSA-N 315.325 2.533 0 40 DFAB O=C(CN1CCCCCC1=O)OCc1cccc2cccnc12 29866855 YGHXFLGDQFVVLW-UHFFFAOYSA-N 312.369 2.681 0 40 DFAB CC[C@@H](CO)N[C@@H](C)c1ccc(I)cc1 37238468 NJJWZFVCBOZZGP-CABZTGNLSA-N 319.186 2.713 0 40 DFAB COc1ccc([C@@H](C)NC(=O)Nc2cc(C)nn2C)cc1OC 47148477 RKXDZANOJNUAQO-LLVKDONJSA-N 318.377 2.628 0 40 DFAB CCOc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 3052313 QGAGGFJIKAHADZ-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB c1cc(CNc2ncnc3[nH]cnc23)cc(OC2CCCC2)n1 48356648 RJBNYBRURXDUSX-UHFFFAOYSA-N 310.361 2.681 0 40 DFAB CC(=O)N1CCc2cc(NC(=O)[C@H]3Cc4ccccc4O3)ccc21 12984217 BMMHSTSOWQCJST-GOSISDBHSA-N 322.364 2.538 0 40 DFAB COc1ccc(CNCc2c(C(C)C)nn(C)c2Cl)cn1 48710290 ZVBWKTBQUIJEAF-UHFFFAOYSA-N 308.813 2.890 0 40 DFAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1 3614643 BHIIOZDPXKRJEA-BDJLRTHQSA-N 301.317 2.843 0 40 DFAB Cn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc2ccccc21 49543470 AULYIEGZBJYCGY-MRXNPFEDSA-N 308.337 2.734 0 40 DFAB biogenic O=C(NCc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1 4122265 SZTMIFPHFMJQAN-UHFFFAOYSA-N 313.140 2.841 0 40 DFAB Cc1nc(NC(=O)c2ccccc2F)sc1C(=O)N(C)C 6232972 GEWWBGAFKIWCAY-UHFFFAOYSA-N 307.350 2.545 0 40 DFAB O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc(Cl)nc1 14098514 YTIXZLFNILNUNW-UHFFFAOYSA-N 322.817 2.745 0 40 DFAB Cc1ccn2cc(CNC(=O)c3ccc4c(c3)CCO4)nc2c1 65552224 BRTPAODVTQUOTR-UHFFFAOYSA-N 307.353 2.508 0 40 DFAB CC(=O)Nc1cccc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)c1 65568539 VINDRTMUVXOYNR-MJBXVCDLSA-N 317.433 2.523 0 40 DFAB O=C(CC1(C(=O)O)Cc2ccccc2C1)NCc1ccsc1 65620841 CQYSNARKQQSOAJ-UHFFFAOYSA-N 315.394 2.624 0 40 DFAB CCN(C)c1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 71799562 IIVLGMRROQARQA-UHFFFAOYSA-N 301.394 2.540 0 40 DFAB CCOC(=O)C1CCN(Cc2nnc(-c3ccccc3)o2)CC1 4538982 YAZGQYRVGCAGKS-UHFFFAOYSA-N 315.373 2.512 0 40 DFAB COCCSc1nnc(NC(=O)c2ccccc2F)s1 4510416 MVVLPEPSIRCOGA-UHFFFAOYSA-N 313.379 2.668 0 40 DFAB O=C(CCNC(=O)Nc1ccccc1)NCCc1cccs1 14240743 SUVGELGORUERMH-UHFFFAOYSA-N 317.414 2.619 0 40 DFAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O1)OCO3 5496614 ZQWBWZDKENHJPC-JTQLQIEISA-N 312.277 2.585 0 40 DFAB biogenic COc1ccc([S@@](=O)Cc2ccc(CO)cc2)cc1OC 96496683 AIIYBLRHDNUWHM-OAQYLSRUSA-N 306.383 2.504 0 40 DFAB Cn1cnnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 5560794 ZQLOMSBEWHKKCS-AWEZNQCLSA-N 316.430 2.661 0 40 DFAB Cc1nc(CNC(=O)NCCOc2cccc(F)c2)sc1C 96439063 MWEIOYRMLNJJIY-UHFFFAOYSA-N 323.393 2.777 0 40 DFAB Cc1cccc(Oc2nccnc2[C@@H]2CCCN(CCO)C2)c1 72361611 XCCNCJLKAWVMLI-OAHLLOKOSA-N 313.401 2.749 0 40 DFAB Cc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 6993666 YDRLESXGFMLEGE-UHFFFAOYSA-N 321.764 2.656 0 40 DFAB Cc1c(Br)cccc1C(=O)N(C)C[C@H](C)C(=O)O 88440284 GOEACRXEPBOWSC-QMMMGPOBSA-N 314.179 2.550 0 40 DFAB CC[C@@](C)(NC(=O)CSCc1ccc(Cl)cc1)C(=O)O 94220235 XSVZIABGELUONH-CQSZACIVSA-N 315.822 2.943 0 40 DFAB Cc1ccc([C@H]2CN(C(=O)Cc3cc(C)on3)CCO2)c(C)c1 74036032 RDRKTSKSZPGWIL-QGZVFWFLSA-N 314.385 2.742 0 40 DFAB CCO[C@@H]1CCOC2(C1)CN(C(=O)/C=C/c1cccs1)C2 306143291 XXXITFCCWHUBJQ-URWSZGRFSA-N 307.415 2.558 0 40 DFAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC 7735612 UYOXLIFWEXXLHV-SNVBAGLBSA-N 308.407 2.565 0 40 DFAB Cc1cnc(CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)s1 95995054 VXPDZGPUPKXCMV-NSHDSACASA-N 311.451 2.639 0 40 DFAB COc1ccc(Cc2noc(CC3(O)CCCC3)n2)cc1OC 95940664 YHNBZQXMDUGUKQ-UHFFFAOYSA-N 318.373 2.525 0 40 DFAB Cc1ccc(-n2nnnc2SCc2cc(C)on2)c(C)c1 8131516 SPQKKAGUHKEIQR-UHFFFAOYSA-N 301.375 2.868 0 40 DFAB CCc1noc(CC)c1CC(=O)Nc1ccc(C)c(C(=O)O)c1 97036089 XSMUWNWWWSJDJW-UHFFFAOYSA-N 316.357 2.987 0 40 DFAB CCNc1ccc(Br)cc1NC(=O)[C@@H]1CCCO1 97048612 RBRZTAMCSQZFLY-LBPRGKRZSA-N 313.195 2.998 0 40 DFAB Nc1nn(C(=O)C[C@@H]2CCCO2)cc1-c1cccc(Cl)c1 69434932 XGTVZNLTHBJORZ-LBPRGKRZSA-N 305.765 2.995 0 40 DFAB Cc1nc(C)c(C)c(N2CCC[C@H](c3nncn3C3CC3)C2)n1 91627832 BOLWNBFCOHPDTL-AWEZNQCLSA-N 312.421 2.712 0 40 DFAB CCONC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 95971259 JXRMHXWACWZZSL-AWEZNQCLSA-N 320.389 2.589 0 40 DFAB Cc1ccc2cn[nH]c2c1NC(=S)NC(=O)c1ccccc1 8577838 IBZCFZMOXJMNFJ-UHFFFAOYSA-N 310.382 2.998 0 40 DFAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)c1C 69774406 HEBUTMANXPKRRX-AWEZNQCLSA-N 306.431 2.799 0 40 DFAB COC[C@H](C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 69898854 KGAOKVIVDQMDMI-LBPRGKRZSA-N 309.385 2.972 0 40 DFAB Cc1ccoc1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 97106948 IJIILKOYGGLRQJ-LBPRGKRZSA-N 308.378 2.575 0 40 DFAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1 8722847 GDGLKQKGLQOQEW-UHFFFAOYSA-N 316.382 2.918 0 40 DFAB CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 97218175 DQTGKIVDQYZDOY-GFCCVEGCSA-N 322.371 2.538 0 40 DFAB Cc1ccc(NC(=S)NCC(C)(C)N2CCOCC2)cc1C 19309283 ISOZJASWFRPJSC-UHFFFAOYSA-N 321.490 2.701 0 40 DFAB Cc1ccc(O)c(C(=O)OCc2nc(N)c3ccccc3n2)c1 9117620 RDHZOVBAEZVZDC-UHFFFAOYSA-N 309.325 2.583 0 40 DFAB C[C@@H](NC(=O)CSc1ccncc1)[C@H](O)c1ccc(F)cc1 95430044 CEESVTHEBBSTKK-BZNIZROVSA-N 320.389 2.551 0 40 DFAB Cc1ccc2cccc(C(=O)N[C@H](C)[C@@H](C)n3cncn3)c2n1 95400537 YKOVJDPHFZYYCP-CHWSQXEVSA-N 309.373 2.514 0 40 DFAB CCC(CC)[C@H](C(=O)NCc1cccc(C)c1)N1CCOCC1 95401800 RAZGKXJUXBLFER-GOSISDBHSA-N 318.461 2.748 0 40 DFAB CCOc1ccc(Cl)c(C(=O)N[C@@H](C)[C@H]2CCCOC2)n1 95468412 UGQCMEZRYCADFT-QWRGUYRKSA-N 312.797 2.679 0 40 DFAB Cn1nc(C2CCC2)cc1NC(=O)NCCc1ccc(O)cc1 95435749 PLXYBHCQKATKKI-UHFFFAOYSA-N 314.389 2.757 0 40 DFAB COc1ccccc1-c1noc(CSCCn2cccn2)n1 89483988 GIFIZVODIRKOBL-UHFFFAOYSA-N 316.386 2.875 0 40 DFAB Cn1c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc2ccccc21 62001499 JGMGAHDUJPOZBY-KXBFYZLASA-N 312.413 2.946 0 40 DFAB biogenic Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2nc(C)no2)cc1 74951206 SWOINWZDMDFQGK-GOEBONIOSA-N 316.357 2.898 0 40 DFAB O=C(NCCCCc1ccccc1)C(=O)Nc1cccc(F)c1 408706834 FSQCRZQMQIKSKG-UHFFFAOYSA-N 314.360 2.903 0 40 DFAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCN(C)C 38757259 KVQJUCZCPMFROM-MRXNPFEDSA-N 300.402 2.675 0 40 DFAB CCOC(=O)c1c[nH]c2c(Br)cc(C)cc2c1=O 36075595 PJWXOCIGKHQPCT-UHFFFAOYSA-N 310.147 2.776 0 40 DFAB CCCC[C@@](N)(C(=O)OC)c1cccc(Br)c1 39952005 TWKJCVKXJNXQAT-ZDUSSCGKSA-N 300.196 2.966 0 40 DFAB CCc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 72414418 UVXBHGVBDOKUOP-UHFFFAOYSA-N 314.410 2.700 0 40 DFAB CC(C)c1ccccc1S(=O)(=O)N[C@H](CC(=O)O)C(C)C 562301444 NRHHETXFFZUDGR-CYBMUJFWSA-N 313.419 2.588 0 40 DFAB OCCN1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 72361602 GKNBCHVBXHIUBL-ZDUSSCGKSA-N 317.364 2.580 0 40 DFAB CC(C)N1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216542 PWKWAVOUBYKNBM-QGZVFWFLSA-N 302.466 2.769 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Cc2cccnc2)C1 71256104 FTJSIXIIJSZUGK-AWEZNQCLSA-N 304.390 2.840 0 40 DFAB CC(C)CCC[C@H](C)NC(=O)C1CCC(Cn2cnnn2)CC1 40288462 BLLISHZBPJRDOM-FHERZECASA-N 321.469 2.811 0 40 DFAB CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 44939492 ZPTCYQCTCHPGDV-UHFFFAOYSA-N 322.405 2.893 0 40 DFAB CCS(=O)(=O)c1ccccc1N(C)Cc1c(C)noc1C 195576096 KBOMJMHXYLGOEY-UHFFFAOYSA-N 308.403 2.721 0 40 DFAB CCS(=O)(=O)c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 96525343 FOAOLBYDCPANGM-UHFFFAOYSA-N 304.293 2.889 0 40 DFAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cccc2cccnc12 95474990 XHJGZGHMAOMLMF-CYBMUJFWSA-N 311.341 2.667 0 40 DFAB O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)C1CCOCC1 96423018 IOOSXKSBOZNHGF-AWEZNQCLSA-N 322.836 2.852 0 40 DFAB Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)no1 96493144 UKMYQKPXGXAERT-KRWDZBQOSA-N 300.358 2.995 0 40 DFAB COc1ccc(Cn2nc(C)cc2NC(=O)[C@H](C)SC)cc1 96423137 AIRNMBNBLPMNBT-LBPRGKRZSA-N 319.430 2.938 0 40 DFAB Fc1cccnc1N[C@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1 96047632 WVIOTFNXTCKTOO-DYVFJYSZSA-N 317.364 2.659 0 40 DFAB COCCNc1ccccc1CNC(=O)c1ccncc1Cl 96475906 AYEFKNSWEWXOJA-UHFFFAOYSA-N 319.792 2.723 0 40 DFAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1COc2ccccc21 96467455 UGMVJWBZWSYURU-KBRIMQKVSA-N 311.381 2.791 0 40 DFAB CC1([C@H]2CCCN(C(=O)NCCC3CCCC3)C2)OCCO1 96502065 PAGKWLGJNXJRMT-HNNXBMFYSA-N 310.438 2.751 0 40 DFAB CN1CC[C@]2(c3ccccc3)CCN(Cc3nccs3)C[C@H]12 96100376 OQCHDABNZFQHRS-FUHWJXTLSA-N 313.470 2.991 0 40 DFAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cnccn1 96412192 HUGNKRSEKOSQBN-YGRLFVJLSA-N 305.765 2.636 0 40 DFAB Cc1ccc(N2CC3(C[C@@H](OCC4CCCC4)CCO3)C2)nn1 247876227 AAUCVPABDVVTEO-INIZCTEOSA-N 317.433 2.730 0 40 DFAB CNc1nc([C@H]2CCCN2C(=O)c2ccccn2)cn2cccc12 257242851 IELSLVMSAYBTNO-OAHLLOKOSA-N 321.384 2.748 0 40 DFAB Cn1nccc1NC(=O)c1ccnc(Cc2ccccc2F)c1 257282453 OTVATBSABJGWKH-UHFFFAOYSA-N 310.332 2.797 0 40 DFAB O=C(c1ccncn1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257222057 DRRVPZNYXJYHKP-CQSZACIVSA-N 318.380 2.730 0 40 DFAB CN(C)c1cccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 280124243 SENRITXGCJKIRW-ZDUSSCGKSA-N 314.389 2.622 0 40 DFAB O=C(c1cccc(O)c1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 575405032 QJWKZACPCMVGBX-OAHLLOKOSA-N 319.426 2.519 0 40 DFAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 794289140 DWNSVIZJHKAVIW-LLVKDONJSA-N 318.364 2.501 0 40 DFAB c1csc(CN2Cc3ccnn3[C@H](CCN3CCCC3)C2)c1 585111791 BXFSFUKGHLXERO-MRXNPFEDSA-N 316.474 2.987 0 40 DFAB CCO[C@@H]1C[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909297 GBDVMUPKEWTBHU-JCGIZDLHSA-N 316.445 2.753 0 40 DFAB CN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nccs1 40512987 AKNVBXUHLNYITK-GFCCVEGCSA-N 315.398 2.697 0 40 DFAB Cc1cccnc1NC(=O)Nc1ccn(Cc2cccnc2)n1 58231147 LKPUHAZDQYVKOC-UHFFFAOYSA-N 308.345 2.674 0 40 DFAB CCOCC(=O)N(Cc1ccco1)c1ccc(OC)c(F)c1 75143945 ZKYUCISPYDZIQP-UHFFFAOYSA-N 307.321 2.997 0 40 DFAB CC(C)c1noc([C@H]2CC(=O)N(CCc3cccs3)C2)n1 42381114 WXQFPCDLCQARGX-NSHDSACASA-N 305.403 2.813 0 40 DFAB Cc1c(CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)cnn1C 195555553 RKHIQCNLZCQKGF-IUODEOHRSA-N 322.453 2.606 0 40 DFAB C[C@@H]1[C@@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C 5464505 MOSYSGPJTJMMDV-NJAFHUGGSA-N 318.461 2.763 0 40 DFAB O=C1N=C(O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@@H]12 12017526 JOZFRLCLDICRRS-AGIUHOORSA-N 318.716 2.907 0 40 DFAB O=C1CCCN1c1ccc(OS(=O)(=O)c2ccccc2)cc1 15361113 TYMPFYGQFDAHMP-UHFFFAOYSA-N 317.366 2.581 0 40 DFAB NC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 156211511 VZHMNZHBQHAZFA-VIFPVBQESA-N 313.760 2.598 0 40 DFAB O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1Cl 377338 QSGXYINODSFPRM-UHFFFAOYSA-N 310.762 2.850 0 40 DFAB Clc1cnn(CC2CN(Cc3nc4c(s3)CCC4)C2)c1 1849480460 ZMVPWLQXDOSXCX-UHFFFAOYSA-N 308.838 2.614 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c(F)c2)c1C 9954679 XWINAAGVFJLXFD-UHFFFAOYSA-N 323.295 2.958 0 40 DFAB CCOC(=O)N1CCN(c2nc3ccc(Cl)cc3o2)CC1 1888914036 JHBOXXBNCLLIQK-UHFFFAOYSA-N 309.753 2.760 0 40 DFAB COc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)cc1 8920747 FNMYGPGQWKOYOU-UHFFFAOYSA-N 323.352 2.850 0 40 DFAB Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 11847707 ICGYASYYRGZLPM-UHFFFAOYSA-N 306.362 2.549 0 40 DFAB CN(C)[C@@H](CNC(=O)COc1ccccc1F)c1cccs1 23105619 CHGPZWIEBRNJLN-ZDUSSCGKSA-N 322.405 2.685 0 40 DFAB C[C@@](O)(CNC(=O)CSCc1ccccc1)Cc1ccco1 206614672 MQIPJIGOWWOPIV-KRWDZBQOSA-N 319.426 2.623 0 40 DFAB O=C(Nc1ccccc1I)NC1CC1 40525535 VHUQRZNGJKMMRD-UHFFFAOYSA-N 302.115 2.575 0 40 DFAB C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccn1 40480100 PQTBEQQWZFHJQV-MRVPVSSYSA-N 308.267 2.711 0 40 DFAB COc1cc(OC)cc(C(=O)COC(=O)c2ccccc2)c1 31904075 SURHFEFXOWMWCE-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CN(Cc1ccccc1)S(=O)(=O)c1cccc2nsnc12 212935 QQCYDNXUZGPTAL-UHFFFAOYSA-N 319.411 2.512 0 40 DFAB O=C(NCCN1CCCCCC1=O)c1ccc(Cl)s1 32310429 XNDRZGWDGXYGBJ-UHFFFAOYSA-N 300.811 2.534 0 40 DFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCCCN1 40851315 JQTGCMKXBLLHLX-ZDUSSCGKSA-N 300.324 2.806 0 40 DFAB COc1ccccc1CC1CCN(C(=O)[C@@H]2CCOC2)CC1 102379057 XZUAUPMSFMMXES-MRXNPFEDSA-N 303.402 2.513 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1Cc2ccccc2O1 33111765 DTGREBRBHXLODY-HNNXBMFYSA-N 306.365 2.830 0 40 DFAB O=C(NCCCCN1CCOCC1)c1cccc2ccccc12 41528106 RMHIPPQMQCSIKN-UHFFFAOYSA-N 312.413 2.682 0 40 DFAB C[C@@H]1[C@@H](NC(=O)CCC(=O)NCc2ccco2)CCC[C@H]1C 103141454 BTADFBUICSNRSF-IPYPFGDCSA-N 306.406 2.617 0 40 DFAB Cc1nc(CNC(=O)c2cncc(Br)c2)cs1 42118056 NBPZGAWPWQRXHB-UHFFFAOYSA-N 312.192 2.539 0 40 DFAB Cc1c(C(=O)Nc2ccc3[nH]ncc3c2)cnn1-c1ccccn1 78435593 OMIGTZBZUMZEFM-UHFFFAOYSA-N 318.340 2.704 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccnc1 12527208 UUFVUFGAHMMQAU-UHFFFAOYSA-N 306.369 2.814 0 40 DFAB COc1ccc2c(c1OC)C(=O)N(c1ccc(C(=O)O)cc1)C2 517899 XIKMAXIVRGBDJP-UHFFFAOYSA-N 313.309 2.562 0 40 DFAB biogenic NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 106761089 DFQZEXSRZOFQCM-IACUBPJLSA-N 320.820 2.700 0 40 DFAB CC(=O)c1cc2c(cc1N[C@@H]1OC(=O)c3ccccc31)OCO2 1425601 UUYUTTBRSAFQCV-MRXNPFEDSA-N 311.293 2.899 0 40 DFAB O=C(CN1CCC[C@@H]1Cc1ccccc1)Nc1nccs1 25441860 RDCOIFGWFXOTIH-CQSZACIVSA-N 301.415 2.789 0 40 DFAB COc1cccc(Nc2nc(N)nc(COc3ccccc3)n2)c1 7496426 OGQPVVORCJGPDG-UHFFFAOYSA-N 323.356 2.785 0 40 DFAB CNCc1cc(Br)cc(Br)c1OC 8377347 LJHYWPAXPKVULP-UHFFFAOYSA-N 309.001 2.940 0 40 DFAB C[C@@H](O)c1ccc(-c2ccc(CNn3cn[nH]c3=S)o2)cc1 8535232 YWAQBHURSBRLTM-SNVBAGLBSA-N 316.386 2.998 0 40 DFAB COCCc1noc(CN(C)c2ccc3ccc(F)cc3n2)n1 89364887 PWFVHMMREVSEIF-UHFFFAOYSA-N 316.336 2.582 0 40 DFAB CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(N)c23)C1 52507989 UIKFIRVJWZMAPD-UHFFFAOYSA-N 306.391 2.567 0 40 DFAB CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793295 BWNWPYXSWGPRMD-INIZCTEOSA-N 323.868 2.545 0 40 DFAB O=c1ccc(-c2ccc(F)cc2)nn1C[C@H](O)c1ccccc1 58330686 XWDDGAJWGMQRNY-KRWDZBQOSA-N 310.328 2.783 0 40 DFAB Cc1nc(/C=C/C(=O)N(C)Cc2nc3ccccc3[nH]2)cs1 58354850 RVJLZGRMEUQKDH-BQYQJAHWSA-N 312.398 3.000 0 40 DFAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 27914512 KJQVNMBDOSPILV-GWCFXTLKSA-N 301.308 2.932 0 40 DFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 12612554 LWGNQEAXQNDSPB-AOOOYVTPSA-N 323.336 2.503 0 40 DFAB O=S(=O)(NCc1ccccc1)c1ccc(-c2ccno2)s1 36360821 RZKADSNYRQJAPZ-UHFFFAOYSA-N 320.395 2.882 0 40 DFAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(S(C)(=O)=O)cc1 10968783 WTTWFPQIYOWKNS-CHWSQXEVSA-N 307.415 2.624 0 40 DFAB Cc1ccccc1CNC(=O)c1ccc(Cn2cncn2)cc1 11605563 SZRYVHUHRXKMCX-UHFFFAOYSA-N 306.369 2.565 0 40 DFAB C[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2NC1=O 12173029 MEENGDKANFJSSH-JTQLQIEISA-N 314.316 2.726 0 40 DFAB Cc1ccsc1CN(C)C(=O)[C@@H](C)NC(=O)c1ccccc1 47531991 GSEBOCVKKGJOQH-CYBMUJFWSA-N 316.426 2.833 0 40 DFAB CC(=O)N[C@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1 12755246 NJGDSKBLWHXCFO-FZKQIMNGSA-N 323.396 2.967 0 40 DFAB COc1ccc(-c2nc(CN3C[C@H](C)O[C@H](C)C3)co2)cc1 12811718 CMMLECHXIXMWMB-BETUJISGSA-N 302.374 2.959 0 40 DFAB COCCOC1CCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 95960068 YWWWNDDNLVMANB-IIAWOOMASA-N 312.454 2.648 0 40 DFAB CCC1(CC)[C@@H](NC2CCN(c3ncccn3)CC2)C[C@@H]1OC 95987796 GSEKDAUJHZEXFC-HOTGVXAUSA-N 318.465 2.629 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 12972973 QTTQFIFPSWJCAZ-CYBMUJFWSA-N 324.384 2.991 0 40 DFAB COCCOc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 93586009 BZSVGXROUMZRJQ-IEBWSBKVSA-N 319.445 2.839 0 40 DFAB Cc1sc2ncc(C(=O)NC3CCCCCC3)c(=O)n2c1C 20767599 KWFIHIKITBKXBZ-UHFFFAOYSA-N 319.430 2.825 0 40 DFAB COc1cccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 13878666 GFVZHGSXMBPMRZ-VMPITWQZSA-N 309.325 2.517 0 40 DFAB CCN(C)C[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2F)C1 93770335 AHKPVBFHMRWYTD-AWEZNQCLSA-N 316.424 2.989 0 40 DFAB Cc1ccc(NC(=O)C2CCN(Cc3ccccn3)CC2)nc1 65539818 DIXPHSJEOXACOR-UHFFFAOYSA-N 310.401 2.636 0 40 DFAB O=C(OC[C@H]1CCCCO1)[C@@H](c1ccccc1)n1cccn1 95392672 BSSADHGNPZREPL-HZPDHXFCSA-N 300.358 2.585 0 40 DFAB CCNC(=O)NC1CCC(OC(=O)C=C(C2CC2)C2CC2)CC1 66536318 QHBALECACDAHNC-UHFFFAOYSA-N 320.433 2.906 0 40 DFAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cnc(N(C)C)n1C 83736769 VBXFIWWNCHTUJH-TZMCWYRMSA-N 321.469 2.500 0 40 DFAB CCC(CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976144 PBBVQOUIQWWSFR-AWEZNQCLSA-N 320.408 2.522 0 40 DFAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nncs1 7194138 BZPDFDGVLDTETG-RKDXNWHRSA-N 311.436 2.825 0 40 DFAB O=C(NCCCC(=O)N1CCCCC1)c1ccc(Cl)cc1 15952006 LDBNLOSCBPCJEF-UHFFFAOYSA-N 308.809 2.863 0 40 DFAB Cc1noc(C)c1CSCC(=O)NCc1ccc(F)cc1 7778882 WNTFGUQEBFGYEC-UHFFFAOYSA-N 308.378 2.980 0 40 DFAB O=C(NCc1nnc2ccccn12)c1ccc2ccccc2c1 7898589 AYNOAPISEXFQLX-UHFFFAOYSA-N 302.337 2.813 0 40 DFAB C[C@@H](Nc1ncnc2sccc12)[C@H](O)c1ccc(O)cc1 7982137 XLVOCDGRVHJEAH-RNCFNFMXSA-N 301.371 2.931 0 40 DFAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCc2ccncc2)n1 70004447 KMPDFBHOCIAAAC-KRWDZBQOSA-N 312.417 2.519 0 40 DFAB Cc1ocnc1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 69511492 NLNJLXDIZOHAFG-LLVKDONJSA-N 313.357 2.601 0 40 DFAB COC(=O)[C@H](NC(=O)/C=C/c1ccco1)c1cc(F)ccc1F 69518654 BOQNXKJFLCMBBE-KEDPEKRHSA-N 321.279 2.602 0 40 DFAB CCCn1nc(C(=O)N2CCC(C)CC2)c2ccccc2c1=O 17355503 DABCCXZLJGCPAD-UHFFFAOYSA-N 313.401 2.679 0 40 DFAB Cc1n[nH]c(NS(=O)(=O)c2ccc(OCC(C)C)cc2)c1C 84052135 JRGSVMYJORMRMT-UHFFFAOYSA-N 323.418 2.862 0 40 DFAB CCc1cccc2c1N(C(=O)[C@H](C)S(=O)(=O)C(C)C)CCC2 69892975 AYVJRWGYDLXFFB-ZDUSSCGKSA-N 323.458 2.740 0 40 DFAB Cc1ccc(-n2ccnc2)c(C(=O)NC2CCSCC2)c1 84131299 YLDGKTVWKNWVIX-UHFFFAOYSA-N 301.415 2.806 0 40 DFAB Cc1nc(-c2ccc(NC(=O)N3CC[C@H](O)C3)cc2)cs1 97085191 WOAWVSKBOVGUPZ-ZDUSSCGKSA-N 303.387 2.717 0 40 DFAB CC1(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CCCCCC1 97058490 OXDRDWGKNKNJBS-CQSZACIVSA-N 321.465 2.657 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(F)c(F)c(O)c1F 97080074 LTVKLHZEPWPWTK-VIFPVBQESA-N 323.270 2.543 0 40 DFAB COCC[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 95448703 GPIZQQCOMZLYMO-CJNGLKHVSA-N 324.396 2.642 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)NCCC2(C)OCCO2)cc1F 97115820 ORWNMDYIRZHRNU-GFCCVEGCSA-N 310.369 2.647 0 40 DFAB CC(C)n1ccc(CCNC(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 89894099 LULYAIPKXWSWMA-GJZGRUSLSA-N 304.438 2.838 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cccc(F)c2)C1 67802896 BHCIVXRXZXFQMO-AWEZNQCLSA-N 322.380 2.955 0 40 DFAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 23342299 CPWDSJNMQJOCJL-UHFFFAOYSA-N 312.325 2.669 0 40 DFAB CCn1ncc2ccc(N[C@@H](C)C3CCS(=O)(=O)CC3)cc21 187509965 GQQXUUZIHOXUQC-LBPRGKRZSA-N 321.446 2.681 0 40 DFAB COC(=O)c1c(F)cccc1NC(=O)[C@H](OC)c1ccccc1 183780520 IZOUBOCKCHOTJE-OAHLLOKOSA-N 317.316 2.939 0 40 DFAB O=C(NCCc1ccco1)c1cccc(Nc2ncccn2)c1 79491996 VTVNMEOGBMOJGZ-UHFFFAOYSA-N 308.341 2.786 0 40 DFAB CC(C)[C@H](NC[C@]1(O)CCOC1)c1ccc(Cl)cc1F 182168412 NWXOYOFKRGENHN-LSDHHAIUSA-N 301.789 2.917 0 40 DFAB FC(F)(F)c1cc(NCCc2ccccc2)n2ncnc2n1 35314625 BHKQDXIHBCNVCV-UHFFFAOYSA-N 307.279 2.798 0 40 DFAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)C(C)C)c1 22990630 NPEVUCYFJWRQJB-LBPRGKRZSA-N 312.435 2.613 0 40 DFAB O=C(NCc1cccnc1)c1cc2cccc(Cl)c2oc1=O 226039154 KSCVWEPIMUNXCI-UHFFFAOYSA-N 314.728 2.771 0 40 DFAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC 225522199 VAHIYYYMVWWJCI-GOSISDBHSA-N 324.424 2.783 0 40 DFAB CCCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NCC 224630013 BSKMZIZTKFOAGT-INIZCTEOSA-N 304.434 2.773 0 40 DFAB CC(=O)N(c1nc(C)c(C(=O)NC2CC2)s1)C1CCCC1 44917087 CPMOTNDUGBQKOL-UHFFFAOYSA-N 307.419 2.639 0 40 DFAB O=C(c1cc2c(cn1)OCCO2)N1CCC[C@H](c2ccccc2)C1 577385534 ICCUHPNZSHSUQQ-HNNXBMFYSA-N 324.380 2.873 0 40 DFAB COC1=CCC2=C(CCN[C@H]2Cc2ccc(O)c(OC)c2)C1 96319131 SCIKTLPLGSDNQB-INIZCTEOSA-N 301.386 2.926 0 40 DFAB C[C@@H](CNCc1cc[nH]n1)Oc1ccccc1Br 96452780 YUYBBLWDAHXLSK-JTQLQIEISA-N 310.195 2.729 0 40 DFAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccnc2C)cc1 97099023 OMSADADWBQZGRR-CQSZACIVSA-N 318.442 2.650 0 40 DFAB CC(C)Cn1cc(CNc2ccc(N3CCNC3=O)cc2)cn1 97098530 OJDFXLVJVJNJBW-UHFFFAOYSA-N 313.405 2.681 0 40 DFAB CC1(C)OC(=O)c2c1ccnc2N[C@@H]1c2ccccc2C[C@@H]1O 96446511 DCXRZUBEFZPNAH-DZGCQCFKSA-N 310.353 2.557 0 40 DFAB CCC[C@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccn2)CCO1 93331556 RQWBTOIFVQNPCX-LBPRGKRZSA-N 315.377 2.505 0 40 DFAB c1ccc(N[C@@H]2CN(Cc3ccoc3)C[C@@H]3CCCO[C@@H]32)nc1 96040683 QKKHJPZKORRFEL-JZXOWHBKSA-N 313.401 2.766 0 40 DFAB CNC(=O)[C@@H]1CCCC[C@H]1N[C@H](C)CCc1ccc(O)cc1 253370991 ZCPOLPYEDLYQGE-KBRIMQKVSA-N 304.434 2.608 0 40 DFAB O=C(/C=C/c1ccccc1Cl)N[C@H]1CCn2nccc2C1 253473002 QXYMADYKTKCRKD-GFUIURDCSA-N 301.777 2.681 0 40 DFAB CCCOc1cc(C)ccc1NC(=O)c1cnc(C(=O)O)cn1 263226705 AVMYRTWDTNPETL-UHFFFAOYSA-N 315.329 2.524 0 40 DFAB c1cncc(CO[C@@H]2CSC3(C2)CN(CC2CCC2)C3)c1 585105434 WMVMCNOTZYAINL-INIZCTEOSA-N 304.459 2.958 0 40 DFAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2c[nH]nc2C)C1 585274938 RXHRTFJDMONPMZ-KRWDZBQOSA-N 319.380 2.527 0 40 DFAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1nccs1 54850098 HQMINCKXRYAXKS-UHFFFAOYSA-N 321.427 2.508 0 40 DFAB CCCc1nc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)sc1CC 56003914 QFGUOBKTCUKPGB-MNOVXSKESA-N 323.462 2.759 0 40 DFAB COc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c(C)c1 80717510 LAZTWKKMJOLHPP-GOOCMWNKSA-N 302.418 2.749 0 40 DFAB C[C@@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(C(F)(F)F)cc1 57436608 FGCXMZRTKDKSJF-VIFPVBQESA-N 316.323 2.579 0 40 DFAB C[C@H]1C[C@@H](NC(=O)c2ccncc2F)CN1Cc1ccccc1 96466346 SOXLRACLNPOLBL-DZGCQCFKSA-N 313.376 2.614 0 40 DFAB C[C@H]1[C@@H](O)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 5275449 NCLNBERWMRBQDE-TVNTUTRRSA-N 300.310 2.600 0 40 DFAB CC[C@H](C(=O)NCc1n[nH]c(=O)c2ccccc12)c1ccccc1 5313327 VFSJTJREPBRORQ-AWEZNQCLSA-N 321.380 2.733 0 40 DFAB O=C(COc1ccccn1)Nc1ccc(N2CCCC2)c(F)c1 19402230 XNVVWAHYBUCBPT-UHFFFAOYSA-N 315.348 2.838 0 40 DFAB CCOC(=O)CCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 204752625 FXYWLMOQBLEBLU-GJZGRUSLSA-N 305.418 2.792 0 40 DFAB Cc1ccc(NC(=O)C[C@H](NC2CCCC2)C(=O)O)cc1Cl 4280150 UCVBGFLUOJWZIN-AWEZNQCLSA-N 324.808 2.962 0 40 DFAB Cc1cc(CC[C@H]2CCCN2C(=O)Cc2cccnc2)ccn1 1848355391 CSRAHTBZPKFYJJ-GOSISDBHSA-N 309.413 2.951 0 40 DFAB CCC(CC)NC(=O)COc1ncnc2sc(C)c(C)c12 3398350 CXEVJUOHIRPRFD-UHFFFAOYSA-N 307.419 2.992 0 40 DFAB COc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1F 5429988 FENIARVXWGWVSJ-UHFFFAOYSA-N 323.345 2.947 0 40 DFAB COc1ccccc1NC(=O)COC(=O)c1sc(C)nc1C 6367304 ZCAHCUYJBXWJOI-UHFFFAOYSA-N 320.370 2.564 0 40 DFAB O=C(N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1)C1(F)CC1 1565552816 XWSYLIBGJHZXCZ-OAHLLOKOSA-N 322.405 2.596 0 40 DFAB Cc1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1C 9615655 KPWYTXSBWDSHMD-UHFFFAOYSA-N 322.372 2.601 0 40 DFAB Cc1nnc(N2CCC(COc3ncccc3C)CC2)s1 585526592 LSCSLRKWIJHFRJ-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB COc1ccc(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)cc1 618257182 QTKXGTIYUCPPDS-HNNXBMFYSA-N 316.426 2.761 0 40 DFAB Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 10434244 IOQFUVOSIWJDOG-UHFFFAOYSA-N 321.332 2.876 0 40 DFAB O=C(Cc1cn2ccccc2n1)Nc1ccc2c(c1)OCCCO2 30112788 CSPWLNBCUIGKOX-UHFFFAOYSA-N 323.352 2.677 0 40 DFAB CN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](c2ccccc2)C1 40007779 WIENXGLRUJXCID-IBGZPJMESA-N 323.440 2.882 0 40 DFAB O=C(N1CCCCC1)N1CCN(Cc2ccccc2F)CC1 40039712 XTRYVOIJCCNYDV-UHFFFAOYSA-N 305.397 2.549 0 40 DFAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 50736150 RSCMXRHXYROOIK-GDBMZVCRSA-N 302.418 2.844 0 40 DFAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H]3CCCO3)n2)C1 40487782 PPOHLNYMGHIJBO-BZPMIXESSA-N 323.462 2.739 0 40 DFAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2c(C)cccc2C)n1 40494402 JYUNAEFLJAFRBD-CYBMUJFWSA-N 316.405 2.880 0 40 DFAB Cc1noc(CCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1 40515983 KJRPNBZGYNRNAD-VIFPVBQESA-N 320.418 2.921 0 40 DFAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccccc1F 41106881 XQENRBMSAGUHPC-AWEZNQCLSA-N 306.337 2.701 0 40 DFAB O=C(NCCc1ccc2c(c1)OCCO2)Nc1ccccc1F 33040292 UNUMETPIACNHLB-UHFFFAOYSA-N 316.332 2.961 0 40 DFAB C[C@H](SC(F)(F)F)C(=O)Nc1ccc(F)c(C(N)=O)c1 33172972 RKMJSAKDIJXJFE-YFKPBYRVSA-N 310.272 2.505 0 40 DFAB CC(C)CN(C(=O)Cc1ccccc1F)C1CCN(C)CC1 53222424 WLAHQVDIIFZZMO-UHFFFAOYSA-N 306.425 2.947 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1 806811 ZBGGHBFMUNXLCD-AWEZNQCLSA-N 309.369 2.690 0 40 DFAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 23233214 IPUSUODKXWCLMV-WMZOPIPTSA-N 324.428 2.979 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c(C)c1 567126 QAJBHBOXDJLVLV-UHFFFAOYSA-N 318.398 2.512 0 40 DFAB Cc1ccc(-c2ocnc2C(=O)NC[C@H](C)Cn2ccnc2)cc1 78986650 VHSFZEOPOYFZGX-AWEZNQCLSA-N 324.384 2.913 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 79018752 XECKOYUEDOATGI-ZIAGYGMSSA-N 308.422 2.811 0 40 DFAB O=C(CCC(=O)c1ccccc1)Nc1ccc(-n2ccnc2)nc1 25007983 XNKMLSMCGZXXLJ-UHFFFAOYSA-N 320.352 2.869 0 40 DFAB COc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 106832056 SEXJIXLRYABKGA-LZWOXQAQSA-N 317.433 2.568 0 40 DFAB CC(C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 79784205 AFCNVBKHLWTXKL-OAHLLOKOSA-N 323.400 2.902 0 40 DFAB COc1cc(CC(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 2639788 CADFDDIOYLKJKP-JSGCOSHPSA-N 321.417 2.950 0 40 DFAB O=C(O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(S)nc2c1 3888188 DMTJRAMZAUQCGF-UHFFFAOYSA-N 316.313 2.512 0 40 DFAB CC(C)c1nnc(NC(=O)N(C[C@H]2CCOC2)C2CC2)s1 43695997 UTTOYCAREFTMKX-SNVBAGLBSA-N 310.423 2.694 0 40 DFAB COc1cccc(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1 107352419 BNADPNFGQBAARF-DZOHQFGASA-N 315.413 2.796 0 40 DFAB Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc2ccccc12 107371876 BFFHPLASOIWOJG-UHFFFAOYSA-N 315.398 2.991 0 40 DFAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCCCC1 43802089 ZEDQJPXSARFXEN-UHFFFAOYSA-N 324.306 2.912 0 40 DFAB CCSc1ncc(Cl)c(C(=O)Nc2nnc(C)s2)n1 6810482 NNGJBEXAPXGNJW-UHFFFAOYSA-N 315.811 2.654 0 40 DFAB CC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 7504545 PINOKXVNNUXRIX-UHFFFAOYSA-N 324.380 2.978 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(=O)O)cc1 7556671 QCUASPOJTIHVQB-MFKMUULPSA-N 307.419 2.755 0 40 DFAB CCc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1 8081020 XIYFAINJQCSOBL-CQSZACIVSA-N 300.402 2.661 0 40 DFAB Cc1nnc(NC(=O)Nc2cnn(Cc3ccccc3)c2)s1 56557160 JUJBDSSAOHKVAI-UHFFFAOYSA-N 314.374 2.735 0 40 DFAB CC(=O)c1csc(NC(=O)C2=Cc3ccccc3OC2)n1 44874696 GNACMWYQNLAVSK-UHFFFAOYSA-N 300.339 2.760 0 40 DFAB Cc1ccccc1C(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58299967 DGJHWVOKGZBPOX-HOTGVXAUSA-N 303.402 2.795 0 40 DFAB O=C(/C=C/c1cccs1)OCc1nc2ccccc2c(=O)[nH]1 3240997 NIEURNLUZQZSBG-BQYQJAHWSA-N 312.350 2.741 0 40 DFAB COc1cc(CCC(=O)N(C)C)ccc1OCC(F)(F)F 58341048 DPJMCPUTFARPNH-UHFFFAOYSA-N 305.296 2.657 0 40 DFAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccn2)no1 96000683 RCKXEUUOHWPUCK-LBPRGKRZSA-N 301.350 2.922 0 40 DFAB C[C@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccccc2)CC1 27974057 VXNUXJZBAHCLRA-HNNXBMFYSA-N 320.458 2.895 0 40 DFAB CN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cccs1 3237619 PYLBVEGKKGEKLA-MDZDMXLPSA-N 315.394 2.963 0 40 DFAB CCc1noc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 60370062 CBWPCGUBIIRGKL-JTQLQIEISA-N 322.796 2.744 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C 2635971 DPSLCIIMPFSBBT-UHFFFAOYSA-N 305.355 2.802 0 40 DFAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 37123766 IDPDNTPXOKMRQL-UHFFFAOYSA-N 303.749 2.623 0 40 DFAB COc1cccc(C(=O)NCCCCN2CCC[C@H](C)C2)c1 46991044 BHISELLTJOTNOK-HNNXBMFYSA-N 304.434 2.937 0 40 DFAB COC(=O)c1ccc2ccccc2c1OCC(=O)N1CCCC1 48264733 FKRMIAUOUBTCDB-UHFFFAOYSA-N 313.353 2.628 0 40 DFAB CC(C)NC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12700863 ONDPWPLNIFMPPN-UHFFFAOYSA-N 318.446 2.532 0 40 DFAB COC(=O)c1ccc(OCC(=O)c2ccccc2OC)cc1 3332117 TYHIFLNDAWLBHW-UHFFFAOYSA-N 300.310 2.744 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2)c1C 3480612 VWSFMLVTCJWZGY-UHFFFAOYSA-N 300.358 2.738 0 40 DFAB CC(C)CNC(=O)COC(=O)c1cc2c(s1)CCCCC2 3548657 QYIZPLPMEJSJAK-UHFFFAOYSA-N 309.431 2.946 0 40 DFAB CN(Cc1cccc(F)c1)C(=O)c1ccc(-n2cncn2)cc1 12986504 AMWHJLZDDLNKSK-UHFFFAOYSA-N 310.332 2.679 0 40 DFAB O=C(NCCCn1ccnc1)[C@H]1Cc2c(ccc3ccccc23)O1 4024362 WJIJSOPYKDTGLU-GOSISDBHSA-N 321.380 2.546 0 40 DFAB O=C(c1nnn(-c2ccc(F)cc2)c1C1CC1)N1CCCCC1 65611951 DXXVXEVOXSGEJE-UHFFFAOYSA-N 314.364 2.910 0 40 DFAB O=C(Cc1cccc(Br)c1)NO[C@H]1CCCCO1 65611805 BHDWFYMIXFADDF-ZDUSSCGKSA-N 314.179 2.566 0 40 DFAB O=C(COc1ccccc1)Nc1ccccc1N1CCCC1=O 14184424 LTCLKHUPVVKBHX-UHFFFAOYSA-N 310.353 2.831 0 40 DFAB CC(=O)Nc1ccc(CNC[C@H]2COC3(CCCCC3)O2)cc1 96494212 SCGDIIXAFMVVJW-KRWDZBQOSA-N 318.417 2.810 0 40 DFAB CC[C@@H]1CCCCN1C[C@H](O)COCc1cccc(OC)c1 6936628 OKZZGKNJMNNYIT-SJORKVTESA-N 307.434 2.837 0 40 DFAB O=C(C[C@H]1CCCc2ccccc21)NCCNc1ncccn1 71888255 RFIOGRLALRWQNT-OAHLLOKOSA-N 310.401 2.515 0 40 DFAB O=C(c1csc(-c2ccco2)n1)N1CCN2CCCC[C@@H]2C1 71839812 NVHQLVRNZZYSKO-GFCCVEGCSA-N 317.414 2.713 0 40 DFAB Cn1c(SCC2CCC(C)(C)CC2)nnc1N1CCOCC1 95986519 UWFVKLPCBYUUPO-UHFFFAOYSA-N 324.494 2.960 0 40 DFAB Cc1nc(C)c(CCNC(=O)N[C@@H](C)Cc2ccco2)s1 71888436 IQRUSOAHBLSYNO-JTQLQIEISA-N 307.419 2.826 0 40 DFAB CC(C)[C@@H]1CC[C@@H](C)CCN1S(=O)(=O)C1CCOCC1 95960108 ZFUNZDUEMULSRK-HIFRSBDPSA-N 303.468 2.642 0 40 DFAB Cc1ccc(OC(=O)c2ccc(-n3cnnn3)c(C)c2)c(C)c1 69385826 VZOSFGFAFWAZMB-UHFFFAOYSA-N 308.341 2.807 0 40 DFAB COCc1cccc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 69457961 OREPDKBCFAQQPO-UHFFFAOYSA-N 308.341 2.870 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(-c3ccco3)no2)c1 69597507 RRCVJFDAJMMTFJ-NEPJUHHUSA-N 301.350 2.574 0 40 DFAB Cc1cc(C)n(-c2ccc(C(=O)NCCCn3ccnc3)cc2)n1 8656778 ISXVBBOOFDSOQI-UHFFFAOYSA-N 323.400 2.506 0 40 DFAB O=C(NCC[C@@H]1CCCCO1)N[C@H]1CCO[C@@H]1c1ccccc1 97055362 FFYAZDNEYWZPIH-YESZJQIVSA-N 318.417 2.775 0 40 DFAB CCC[C@@H](C)[C@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 92923142 RJAXDGJZRFKRKA-CHWSQXEVSA-N 300.410 2.650 0 40 DFAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc2c(c1)OCO2 71279914 NXZOIUROQDQVLV-JTQLQIEISA-N 315.329 2.610 0 40 DFAB Cc1ncsc1CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 71212584 XHJISFQJWLHXCJ-VIFPVBQESA-N 303.387 2.633 0 40 DFAB CC(C)c1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)no1 72271439 SXBBNDQIKDZTLU-GFCCVEGCSA-N 305.378 2.593 0 40 DFAB COc1cccc(Cl)c1CC(=O)Nc1c[nH]c(=O)c(C)c1 97378943 QYVLIRAZWSNOSZ-UHFFFAOYSA-N 306.749 2.527 0 40 DFAB NC(=O)c1cnc(N[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 75092169 GNAUZJNCDIOHAS-KGLIPLIRSA-N 317.776 2.776 0 40 DFAB C[C@H]1CN(CCC2CCN(Cc3ccncc3)CC2)C[C@@H](C)O1 84706180 VMAKQSFRXXHOQP-CALCHBBNSA-N 317.477 2.793 0 40 DFAB CC1(c2ccccc2)CCN(S(=O)(=O)C2CCOCC2)CC1 95435670 MIOLBWXGUQMINJ-UHFFFAOYSA-N 323.458 2.549 0 40 DFAB Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1C1CC1 95426782 GQVUAIDEJZWHPW-JKSUJKDBSA-N 320.458 2.786 0 40 DFAB Cc1cccc(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 95426096 BYWXNOCEKSEFND-WBVHZDCISA-N 320.458 2.849 0 40 DFAB CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2csc(C)n2)C12CCC2 84800753 FDGBSDJWCHDGEL-UONOGXRCSA-N 323.462 2.941 0 40 DFAB CC1CCC(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 89798952 FAJGGXYGGWMBIT-AWRGBYNESA-N 302.462 2.790 0 40 DFAB C[C@@H]1CN(C(=O)NCCOCC(F)(F)F)[C@H]1c1ccccc1 89930162 IHQLCPHPLWSYCA-DGCLKSJQSA-N 316.323 2.968 0 40 DFAB C[C@@H](NC[C@H](O)c1ccco1)c1ccc(N2CCCC2=O)cc1 89904797 QFOLWMRURLBCKM-CJNGLKHVSA-N 314.385 2.791 0 40 DFAB C[C@H]1CCCC[C@H]1OCCNc1ccc(C(=O)N(C)C)cn1 75610814 LRNKLZOHMYGVRC-DZGCQCFKSA-N 305.422 2.791 0 40 DFAB CCn1nc(C)cc1C(=O)NC(C)(C)c1nc(C)c(C)s1 76477671 WJNODWOFFNNBCD-UHFFFAOYSA-N 306.435 2.950 0 40 DFAB O=C(O)CCCSc1ccc(NC(=O)c2cccs2)nn1 61966024 HSPUQDFSADRGQN-UHFFFAOYSA-N 323.399 2.747 0 40 DFAB O=C(CSCc1cccc(Cl)c1)NCCCn1ccnc1 20242100 OLJAPNJLMCECKS-UHFFFAOYSA-N 323.849 2.976 0 40 DFAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 118929332 WBIJEFRHTANRST-NOGMMUBHSA-N 306.446 2.930 0 40 DFAB Cc1nn(CC(=O)NCc2csc(C3CC3)n2)c(C)c1Cl 69748650 HDVMRPKQPJKQQW-UHFFFAOYSA-N 324.837 2.804 0 40 DFAB Cc1cc(C(=O)Nc2nccs2)nc(N2CCCCCC2)n1 72241502 BPYBOVXLRKJZMO-UHFFFAOYSA-N 317.418 2.874 0 40 DFAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 72228228 PGGUIBOQVBODSJ-HUUCEWRRSA-N 304.752 2.890 0 40 DFAB CN(C)c1cccc(CNCc2cn(C)nc2-c2cccnc2)c1 78552616 JKXRJVGZPJGUFL-UHFFFAOYSA-N 321.428 2.838 0 40 DFAB COc1ccc(OC)c2c1cc(C(=O)Nc1cccnc1)n2C 72402288 CRZJPWYNQJHZFK-UHFFFAOYSA-N 311.341 2.843 0 40 DFAB CCC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225724857 JAAPLGFMHBCWKT-LLVKDONJSA-N 306.793 2.960 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)c1nnc2ccccc2n1 46088143 OETXDKQQOJIFOJ-UHFFFAOYSA-N 310.361 2.671 0 40 DFAB Cc1cc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)sn1 225723311 MDUMENFAPPPTMD-LLVKDONJSA-N 321.427 2.983 0 40 DFAB Cc1cccc(CSCC(=O)Nc2ccccc2C(N)=O)c1 46807448 ZSAGEOFCFZOEGI-UHFFFAOYSA-N 314.410 2.966 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CN(C)C[C@@H]2c2ccccc2)s1 226751695 XAYHCPFRDWMFMP-ZIAGYGMSSA-N 301.415 2.735 0 40 DFAB CCN1CC[C@H](N(C)C(=O)c2cc3cccnc3[nH]2)C[C@@H]1C 334125358 OUYMUITYVCLYKS-JSGCOSHPSA-N 300.406 2.508 0 40 DFAB COC(=O)c1ccc(OCc2ccc(Cl)cc2)nc1C=O 96511189 RQQDPGFOGWPTCO-UHFFFAOYSA-N 305.717 2.913 0 40 DFAB COC(=O)N1CCC[C@H](N[C@@H](C)CCc2ccc(O)cc2)C1 97095436 QWTCUKHDXQVNMM-ZFWWWQNUSA-N 306.406 2.534 0 40 DFAB CCN(CC)[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)on2)C1 96434602 DPIFGRXEYXOPJH-LBPRGKRZSA-N 308.426 2.920 0 40 DFAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccco3)n2)cc1OC 95534215 ILXNQXOLHXZYPD-CQSZACIVSA-N 314.345 2.520 0 40 DFAB COc1ccc(Cl)cc1CNC(=O)Cn1ccnc1C(C)C 97236213 XWKXKRXXXODELD-UHFFFAOYSA-N 321.808 2.985 0 40 DFAB CCO[C@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 96158729 NKRLBQYLIKQQKH-OAHLLOKOSA-N 319.401 2.575 0 40 DFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1 339464304 SHAKHYWHGSNTQJ-DOMZBBRYSA-N 322.836 2.694 0 40 DFAB CS[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 96437564 RZBNYWOIYNCJEJ-HZPDHXFCSA-N 321.490 2.832 0 40 DFAB c1cncc([C@@H]2COC3(CCN(CC4CCOCC4)CC3)C2)c1 96047787 ACTSYPDSGOYWBO-SFHVURJKSA-N 316.445 2.847 0 40 DFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)CS(=O)(=O)c1cccs1 96475653 MRSZUOJDYFRJMC-NEPJUHHUSA-N 315.460 2.559 0 40 DFAB O=C(c1ccccc1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 97954356 AXCCEDOBIWHXNU-CABCVRRESA-N 312.394 2.768 0 40 DFAB O=S(=O)(c1ccccc1)N1CCC[C@H]1CCc1ccncc1 257226789 FMFDRXCDZHVNEJ-INIZCTEOSA-N 316.426 2.868 0 40 DFAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1 257272234 NBOUMWCDMLIXOR-AWEZNQCLSA-N 321.384 2.599 0 40 DFAB O=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cn1 26860302 HGAHQVYOLZDVPG-UHFFFAOYSA-N 309.778 2.555 0 40 DFAB CCN(Cc1ccccc1)c1nn(-c2ccccc2)nc1C(=O)O 256046752 HUSJVNDDPOPPOX-UHFFFAOYSA-N 322.368 2.992 0 40 DFAB O=C(N[C@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@H]1c1cccc(Cl)c1 253370872 XKWYGCMMKLSAKX-RFGFWPKPSA-N 307.777 2.813 0 40 DFAB O=C(c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254939 IAZUYVNQYSDOOX-KBPBESRZSA-N 316.792 2.940 0 40 DFAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccsc1 390826323 IDBRBZWPIOGWMQ-HNNXBMFYSA-N 303.339 2.600 0 40 DFAB CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 566064314 NIDQKBDIZHOOQY-JSGCOSHPSA-N 316.430 2.692 0 40 DFAB CC[C@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)COC)[C@H]2C1 585109812 WRCCBZVOLCHFTO-LZLXCTOHSA-N 316.445 2.565 0 40 DFAB Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)C(C)(C)C)C2 585101740 CYDCKYKNIHOFFA-GOSISDBHSA-N 319.449 2.904 0 40 DFAB CN1CCC[C@]12CCCN(C(=O)Cc1cc(F)cc(F)c1)CC2 585100746 VIZWMARKGPTKIW-GOSISDBHSA-N 322.399 2.984 0 40 DFAB Cc1noc([C@H](NC(=O)CCC(=O)c2cccs2)C(C)C)n1 71899364 JOCVPPPHFOJCHF-CQSZACIVSA-N 321.402 2.916 0 40 DFAB COc1ccccc1C[C@H]1CCCN1c1ncnc2c1cnn2C 58545725 OIJKNLZRKUHPFJ-CQSZACIVSA-N 323.400 2.583 0 40 DFAB CC(C)C(=O)N[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 80975801 AQKYAMZHZJMQOJ-LBPRGKRZSA-N 315.339 2.841 0 40 DFAB Cc1cc(C)n([C@H](CNC(=O)c2ccno2)c2cccs2)n1 585367653 QWHNVOOOWIRDMQ-GFCCVEGCSA-N 316.386 2.569 0 40 DFAB COc1ccccc1C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 1772714820 YNAYJKVEUJOAOP-LBPRGKRZSA-N 309.362 2.606 0 40 DFAB Cc1ccc(N2C[C@H](NC(=O)Nc3cccnc3)CC2=O)cc1C 5087767 QKXMVXYKSLHRNF-OAHLLOKOSA-N 324.384 2.625 0 40 DFAB CCc1c(C)nc(SCc2cc(OC)cc(OC)c2)[nH]c1=O 5155384 BUGOEECVGHRRGT-UHFFFAOYSA-N 320.414 2.950 0 40 DFAB C[C@H]1CCc2c(sc3ncn([C@H]4CCCNC4)c(=O)c23)C1 13566380 MOXMAAUBTIDSMX-QWRGUYRKSA-N 303.431 2.507 0 40 DFAB CN1CC[C@@H]2[C@H]1CCCCN2C(=O)c1nccc2ccccc12 19712575 BHFDJFDDXBFPKF-IAGOWNOFSA-N 309.413 2.934 0 40 DFAB CC(C)N1CCC(c2cncc(Nc3nccs3)n2)CC1 643550929 USQXUQKKGXYVQP-UHFFFAOYSA-N 303.435 3.265 0 40 DFAB CN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 23379471 AFJPCHHXQWFPFK-UHFFFAOYSA-N 321.380 2.882 0 40 DFAB NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 3275891 YMPXNFNCTRYYFP-UHFFFAOYSA-N 319.744 2.561 0 40 DFAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1 4503747 OOSKMRFPQNBYHH-GFCCVEGCSA-N 314.385 2.701 0 40 DFAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)NC1CC1 5616337 ADGWDSOJEDSMDB-JTQLQIEISA-N 323.776 2.513 0 40 DFAB Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)sc1Cl 225593486 WMMNYIMASLMAEX-VHSXEESVSA-N 323.867 2.539 0 40 DFAB COC1(CC(=O)N2CCC([C@@H]3CCCCN3C)CC2)CCC1 1565544968 BEPASALZTVYBDG-INIZCTEOSA-N 308.466 2.669 0 40 DFAB Cc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1C 5303673 ZCJYCJNZGBMIAS-UHFFFAOYSA-N 307.353 2.803 0 40 DFAB O=C(NCCCSc1ccc(F)cc1)Nc1ncccn1 10220856 QINZBQOMUMKJAW-UHFFFAOYSA-N 306.366 2.920 0 40 DFAB Cn1/c(=N\C(=O)C2CC2)sc2cccc(Br)c21 12063963 KTDUYCJJISVNSI-WYMLVPIESA-N 311.204 2.840 0 40 DFAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)CCc3ccc[nH]3)C1)CO2 2055785324 FKXULYSURHDHTL-LJQANCHMSA-N 310.397 2.818 0 40 DFAB Cc1ccc(N2C[C@@H](C(=O)N3[C@H]4C=CC[C@H]3CC4)CC2=O)cc1C 206913207 UWWQRTTVFQGYMX-ULQDDVLXSA-N 324.424 2.976 0 40 DFAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCNCC1 12275250 HJBPWRZZXWRDBZ-UHFFFAOYSA-N 314.385 2.817 0 40 DFAB COc1ccc(CCC(=O)NCC[C@@H](O)c2cccs2)cc1 77113755 FCUCMKKTPZONCQ-OAHLLOKOSA-N 319.426 2.929 0 40 DFAB CC(C)c1noc(CCC(=O)Nc2nnc(C(C)C)s2)n1 30862958 NMVMMZFGHGSFMN-UHFFFAOYSA-N 309.395 2.739 0 40 DFAB Cn1ccc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 40456744 OHFQIBIQPXYBDS-UHFFFAOYSA-N 318.682 2.742 0 40 DFAB C[C@@H]1CCCN(S(=O)(=O)N2CCC(c3ccccc3)CC2)C1 32470789 YLLWLWSBRYIQIZ-OAHLLOKOSA-N 322.474 2.843 0 40 DFAB Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)n(C)n1 32828106 AYMRLDMBXJYADN-HNNXBMFYSA-N 315.373 2.539 0 40 DFAB O=C(NC[C@H]1CCCO1)Nc1ccc(OC(F)F)c(F)c1 47713787 UCQLSWSXKKVXAB-SECBINFHSA-N 304.268 2.728 0 40 DFAB COCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 148477 NTZMJKFREWCFLB-UHFFFAOYSA-N 321.402 2.825 0 40 DFAB COc1ccc2oc(=O)c(-c3csc(NC(C)=O)n3)cc2c1 495273 WNJNQHRMVSEEIT-UHFFFAOYSA-N 316.338 2.884 0 40 DFAB O=C(NCCc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4892302 OLXZZHLNFZGPRY-DHMWGJHJSA-N 319.788 2.522 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncc(C)s1 6816634 ZPFXCIHDSYTCJK-GFCCVEGCSA-N 306.343 2.750 0 40 DFAB O=C(NCc1ccc2c(c1)OCO2)c1c[nH]nc1-c1ccccc1 8750877 ORWARVNYQUZEPI-UHFFFAOYSA-N 321.336 2.735 0 40 DFAB Cc1ccc(-c2n[nH]c(S[C@H](C(=O)N(C)C)C(C)C)n2)cc1 57811221 UQQZNCDTULWXLR-ZDUSSCGKSA-N 318.446 2.985 0 40 DFAB O=C(COC(=O)c1ccco1)Nc1cccc(Br)c1 3217094 STJWISSDFJHEKF-UHFFFAOYSA-N 324.130 2.838 0 40 DFAB Cc1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 28580783 FDFARRNSSUBSHZ-UHFFFAOYSA-N 311.341 2.850 0 40 DFAB Cn1ccnc1CSc1nnc(-c2ccccc2F)n1C 59337825 BROIXZYGYKWXEB-UHFFFAOYSA-N 303.366 2.647 0 40 DFAB Cc1cc(NC(=O)c2c(C)nn(C)c2C)n(Cc2ccccc2)n1 28246747 NQIMIOYGEWPLJD-UHFFFAOYSA-N 323.400 2.842 0 40 DFAB CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Cl)s1 45908758 UPXQVHQGOLTFDT-FNORWQNLSA-N 300.811 2.529 0 40 DFAB Cc1nc(CCNC(=O)c2ccc(C(F)(F)F)nc2)cs1 29551534 AWJBPPPUAFRPIQ-UHFFFAOYSA-N 315.320 2.838 0 40 DFAB CN(C(=O)CSc1cccc[n+]1[O-])[C@H]1CCc2ccccc21 29822393 VHOCIWHLFMIIDR-HNNXBMFYSA-N 314.410 2.558 0 40 DFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 103141638 YSXSBGVBEQGPRQ-BFQNTYOBSA-N 324.446 2.748 0 40 DFAB CCCN(CC1CC1)C(=O)COC(=O)c1ccc(C)cc1O 2648844 MUWIDNFKSJLXDW-UHFFFAOYSA-N 305.374 2.506 0 40 DFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 2736969 NWESEKPSEOOZNV-NWDGAFQWSA-N 319.357 2.693 0 40 DFAB CN1CCN(C[C@@H](NC[C@H]2CC=CCC2)c2ccccc2)CC1 95433966 OGIZMDDIMBLSEN-AZUAARDMSA-N 313.489 2.921 0 40 DFAB CC(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2)Oc2ccccc21 12616461 BSEYTEKTYKRNRV-MRXNPFEDSA-N 314.316 2.578 0 40 DFAB Cc1cc(CN(C)Cc2csc(-c3ncccn3)n2)no1 48235204 BFIUCPULFSYUNP-UHFFFAOYSA-N 301.375 2.529 0 40 DFAB CCn1c(NC(=O)CCc2cnn(C)c2C)nc2ccccc21 28574897 WIPRZERRXLOYTC-UHFFFAOYSA-N 311.389 2.669 0 40 DFAB CCC(CC)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 12880454 REJKMTCYIPBCTP-UHFFFAOYSA-N 306.406 2.960 0 40 DFAB Cc1ccc(O)c(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1 12820649 OXFHREZCFKUHTQ-ZDUSSCGKSA-N 313.353 2.613 0 40 DFAB C[C@H](OC(=O)c1cccs1)C(=O)N1CCc2ccccc21 3544658 HPHXKNFUEKPKSU-NSHDSACASA-N 301.367 2.883 0 40 DFAB O=c1oc(-c2cccs2)nn1CN1CCc2ccccc2C1 12942601 UGIUEYFVSJEUOS-UHFFFAOYSA-N 313.382 2.581 0 40 DFAB O=C(NC1=NCCS1)c1ccccc1C(=O)c1ccccc1 12978931 VIICQDGKWJQHCJ-UHFFFAOYSA-N 310.378 2.750 0 40 DFAB O=S(=O)(NCc1ccncc1)c1cccc(Cl)c1Cl 6146011 PLAFSORXECVWFJ-UHFFFAOYSA-N 317.197 2.867 0 40 DFAB Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)o2)n(C)n1 95416483 OAZIJLIUDVNZAY-UHFFFAOYSA-N 308.407 2.745 0 40 DFAB Cc1nc(COc2ccc(C(=O)Nc3nccs3)cc2)no1 14086202 BLGHFWOXLFWRLT-UHFFFAOYSA-N 316.342 2.666 0 40 DFAB Cc1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)on1 66771441 KRWKKDWOEPMCKX-ZDUSSCGKSA-N 314.341 2.732 0 40 DFAB Cc1ccc2[nH]c3c(=O)n(CCN4CCCCC4)cnc3c2c1 4837118 SXKRIADGYNUXOK-UHFFFAOYSA-N 310.401 2.672 0 40 DFAB CCCn1c(SCc2cc(-c3cccs3)on2)n[nH]c1=O 9484606 PXNMHZFLGUXBEB-UHFFFAOYSA-N 322.415 2.990 0 40 DFAB O=C(/C=C/c1ccccc1F)NC[C@H]1COc2ccccc2O1 6946438 BIBQIVIJRRYUPI-HBWSCVEGSA-N 313.328 2.795 0 40 DFAB O=S(=O)(Cc1nc(C2CC2)n[nH]1)c1ccc2ccccc2c1 95467904 FMECBWINQYIVJG-UHFFFAOYSA-N 313.382 2.809 0 40 DFAB C[C@H]1CN(C(=O)c2cc(OCC(F)F)ccn2)C[C@H](C)S1 96496581 BLJOKQPFDYDORU-UWVGGRQHSA-N 316.373 2.692 0 40 DFAB COc1ccccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 67801172 JUSOQPBZYMQCSL-CQSZACIVSA-N 306.406 2.794 0 40 DFAB CC(C)(C)c1nnnn1Cc1cc(Cl)cc2c1OCOC2 68184082 BCYDOTKENTTYOU-UHFFFAOYSA-N 308.769 2.539 0 40 DFAB COC(=O)CCS[C@H](C)C(=O)Nc1cccc(Cl)c1 7658362 DJNCQZYYUVZHTE-SECBINFHSA-N 301.795 2.963 0 40 DFAB CC(=O)N1CCC(N[C@@H]2CCCC[C@H]2OC2CCCC2)CC1 90916357 FZHVVTPHRXFPCV-QZTJIDSGSA-N 308.466 2.857 0 40 DFAB CCCC(=O)NCC(=O)N1CC[C@@H](CSc2ccccc2)C1 81288672 FHHINIPHAJAURE-CQSZACIVSA-N 320.458 2.544 0 40 DFAB COc1ccccc1Oc1ccc(CNC(=O)c2cnn[nH]2)cc1 71896656 KSDRBKIJYAWJND-UHFFFAOYSA-N 324.340 2.536 0 40 DFAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2OC)cc1 7956000 QTEFHEIPLUAZSK-UHFFFAOYSA-N 314.341 2.532 0 40 DFAB COCCCN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 69387872 KPJSGKDNNYGYQA-UHFFFAOYSA-N 302.374 2.687 0 40 DFAB CCc1nnc(S[C@H](C(=O)OC)c2ccc(F)cc2)n1C 71910341 SKGGABPAHPPCKF-LBPRGKRZSA-N 309.366 2.523 0 40 DFAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69419732 YDURZMLHHRKPKW-AWEZNQCLSA-N 304.415 2.635 0 40 DFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccncc1)CC3 8488014 HCIBAQLGKRANNL-UHFFFAOYSA-N 307.353 2.770 0 40 DFAB biogenic COCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1 69513730 OXZMRPYOETVZBU-KRWDZBQOSA-N 324.380 2.620 0 40 DFAB CCc1nc(CCNC(=O)N[C@H](C)c2ccncc2)cs1 69569285 WCHULFNOHUISNW-LLVKDONJSA-N 304.419 2.703 0 40 DFAB O=C(NCc1cccc2cccnc12)NC1CCSCC1 69632103 ZJULZZUJSMOGPP-UHFFFAOYSA-N 301.415 2.930 0 40 DFAB CSc1nnc(Cn2nc(C)c(Br)c2C)s1 69918212 IPUDSAKBHJFPLA-UHFFFAOYSA-N 319.253 2.884 0 40 DFAB Cc1cnn(CCNC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 69976250 ROJQNFFMXBPQLQ-AWEZNQCLSA-N 313.323 2.534 0 40 DFAB CCc1nccn1[C@@H]1CCCN(C(=O)Cc2cccs2)C1 69922178 LLNDQUHBWADJRL-CYBMUJFWSA-N 303.431 2.913 0 40 DFAB O=C(O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 95969442 DDJGWZVMNUXAHJ-GHMZBOCLSA-N 307.312 2.678 0 40 DFAB O=C(/C=C/c1ccccc1)Nc1ccc(Cn2cncn2)cc1 9134822 MWVQZHDVJHNVKM-DHZHZOJOSA-N 304.353 2.978 0 40 DFAB CCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)o1 97036672 HANBPOQWXJPCJR-CYBMUJFWSA-N 309.268 2.676 0 40 DFAB Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)cn1 72231650 RPKUYZDFHFSYDM-CQSZACIVSA-N 318.760 2.989 0 40 DFAB CCc1ocnc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72292213 HKSGYWSJKISOET-NSHDSACASA-N 318.377 2.763 0 40 DFAB Cc1c(C(=O)N[C@@H]2CCc3nccn3C2)oc2ccc(F)cc12 97197386 OEOZROMFZDXKBU-GFCCVEGCSA-N 313.332 2.822 0 40 DFAB COc1ccccc1[C@@H](CNCc1c[nH]nc1C)N1CCCC1 97159255 MLMRLICRYNYTME-QGZVFWFLSA-N 314.433 2.653 0 40 DFAB CO[C@]1(C)C[C@@H](NC(=O)N[C@H](C)c2c(C)noc2C)C1(C)C 74223272 KWLCCAHEDVDRDJ-VYROHLMNSA-N 309.410 2.855 0 40 DFAB CCc1nc2c(s1)[C@@H](N(C)Cc1cc(=O)c(O)co1)CCC2 89295772 WNEHNQRUUBBWIA-LBPRGKRZSA-N 320.414 2.874 0 40 DFAB CCc1noc(CN(C)C(=O)[C@H](C)OC2CCCCCC2)n1 89290051 YIJKINGCLQDJDW-LBPRGKRZSA-N 309.410 2.718 0 40 DFAB Cc1nc(C2CCN(CCc3ccc4c(c3)CCO4)CC2)no1 75678820 JLODKYPBSJMIJX-UHFFFAOYSA-N 313.401 2.735 0 40 DFAB C[C@@H]1COc2ccccc2N1CC(=O)N1CCc2ccccc21 76091409 IZTVHVDIGQZWAW-CQSZACIVSA-N 308.381 2.863 0 40 DFAB CCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21 20636609 BUUPJCKFJGFXTP-LJQANCHMSA-N 322.364 2.809 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCc1ccccc1 408710305 WQMKORLENLRGQI-DOTOQJQBSA-N 316.445 2.820 0 40 DFAB CCc1nn2c(=O)cc(CNc3ccc(F)cc3C)nc2s1 30495276 BENUKWGWSOZTCU-UHFFFAOYSA-N 318.377 2.773 0 40 DFAB CCCC[C@@H](COC(=O)c1ccccc1C(=O)O)CC(=O)O 5822026 CCNOZWPVQWCJFK-LLVKDONJSA-N 308.330 2.823 0 40 DFAB biogenic,in-vitro COc1cc(C(=O)OC(C)(C)C)c(N)cc1Br 536960025 RKXAQNSZMKWYFY-UHFFFAOYSA-N 302.168 2.995 0 40 DFAB O=C(COc1ccccc1F)NCC[C@H](O)c1cccs1 77113635 CZXFQAWEGLPQDH-LBPRGKRZSA-N 309.362 2.506 0 40 DFAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)C1CC1 188334446 ZXAGFHBVYUDZKX-QMTHXVAHSA-N 315.822 2.594 0 40 DFAB O=C(CCc1cccnc1)NC[C@@H](O)c1ccc(Cl)s1 75269261 VTOCNKNALUHCRB-LLVKDONJSA-N 310.806 2.579 0 40 DFAB C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 72203927 ORXZHSMQKOPXPF-OLZOCXBDSA-N 306.410 2.527 0 40 DFAB Cc1nnc(Nc2cncc([C@H]3CCCN3CC3CC3)n2)s1 72376300 JYAGCPIQJDLFKG-CYBMUJFWSA-N 316.434 2.927 0 40 DFAB Cn1cc(CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)cn1 79098489 BLYKQJQMJFUQBX-SFHVURJKSA-N 312.417 2.683 0 40 DFAB COC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCC1 185050063 QFAODLCZQMYEBY-UHFFFAOYSA-N 320.433 2.915 0 40 DFAB Cn1ncc2c(SCc3cnn(-c4ccccc4)c3)ncnc21 78415550 KKWYQPPUWPGOEX-UHFFFAOYSA-N 322.397 2.841 0 40 DFAB CC[C@H](OC[C@@H](O)CN(C)C)c1ccc(Br)cc1 72210035 LNXNUAULYINQFB-KBPBESRZSA-N 316.239 2.839 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(C)cc1 216271100 ITQVCEDOYZHUDJ-UHFFFAOYSA-N 319.426 2.965 0 40 DFAB CCCCc1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 41121926 GOXRRNYLMISCLU-UHFFFAOYSA-N 314.389 2.827 0 40 DFAB CSc1ccccc1C(=O)NC[C@@]1(O)CCc2ccccc21 75155658 QUZYQLCENJBTHP-SFHVURJKSA-N 313.422 2.972 0 40 DFAB Cc1ccccc1OCCNC(=O)[C@H](c1ccccc1)N(C)C 225131362 HLNJAVKZLIMRFP-SFHVURJKSA-N 312.413 2.793 0 40 DFAB CC[C@@](NC(=O)c1ccc2n[nH]cc2c1)(C(=O)O)c1ccccc1 576622437 UIAYIFPVDVGYBQ-SFHVURJKSA-N 323.352 2.683 0 40 DFAB CS(=O)(=O)Cc1cccc(CNC(=O)CC2CCCCC2)c1 194718452 CBGKIONAHOLAKW-UHFFFAOYSA-N 323.458 2.818 0 40 DFAB O=S(=O)(c1cccnc1)N1CCCSc2ccc(F)cc21 195576977 YXEVXRSHHPJGIL-UHFFFAOYSA-N 324.402 2.912 0 40 DFAB O=C(C1=CCCC1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039940 OQAQYDGTARCWOL-IEBWSBKVSA-N 319.445 2.921 0 40 DFAB Cc1nn(C)c2sc(C(=O)O[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc12 96416272 XWCHMDVLSKEDAX-ICCXJUOJSA-N 320.414 2.914 0 40 DFAB O=C([C@H]1CC=CCC1)N1CCN(c2nncc3ccccc23)CC1 96418528 DRPJIIYTDVTYBB-HNNXBMFYSA-N 322.412 2.635 0 40 DFAB Cc1cnc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 230104235 XAYHCPFRDWMFMP-UONOGXRCSA-N 301.415 2.735 0 40 DFAB O=C(NCC(F)(F)F)c1cc(OCc2ccccc2)no1 90610030 ZXYCZVLLBISTOM-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(C(N)=O)cc1 96404308 WBVHLXPQASBGFK-WSVYEEACSA-N 305.374 2.935 0 40 DFAB O=C(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 96239580 DKJJZWJFHHGGQD-MRXNPFEDSA-N 321.371 2.556 0 40 DFAB c1cncc(O[C@H]2[C@H]3CC[C@H]2N(Cc2ccc4c(c2)OCO4)C3)c1 248332349 IMTPGHCRZBYWQW-GMBSWORKSA-N 324.380 2.852 0 40 DFAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCc2ccccc2F)C1 257274704 NMGJGLXSTGYYNH-CQSZACIVSA-N 301.365 2.806 0 40 DFAB CCN(CC)c1cccc(Nc2nc(OC)nc(N(C)C)n2)c1 255190043 UOLRZNKXSPCIJE-UHFFFAOYSA-N 316.409 2.536 0 40 DFAB Fc1cccc2c(N3CCO[C@H]([C@H]4CCCO4)C3)ccnc12 252490044 KHWJXVRMQPUVCO-CVEARBPZSA-N 302.349 2.758 0 40 DFAB COC(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 382674430 KHZQGOCDBZCECZ-GOOCMWNKSA-N 303.358 2.739 0 40 DFAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(C2CC2)CC1 71836642 QDRKMZUUZKSZBZ-UHFFFAOYSA-N 303.793 2.742 0 40 DFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c2ncccc12 49998171 CNYJJKUYGPXAFK-LLVKDONJSA-N 313.382 2.703 0 40 DFAB Cc1cc(C)n(CCCNCc2cnn(Cc3ccccc3)c2)n1 96953623 WXYUXLSDSFOPJJ-UHFFFAOYSA-N 323.444 2.925 0 40 DFAB O=Cc1cn(C[C@H](O)CN2CCCCCC2)c2ccccc12 5520936 LJWQMRBVOUNNJJ-MRXNPFEDSA-N 300.402 2.691 0 40 DFAB Cc1nn2c(NCCO)c3c(nc2c1-c1ccccc1)CCC3 12113373 SIVNHDBFLSVXMF-UHFFFAOYSA-N 308.385 2.598 0 40 DFAB Cc1cc(C)c2cc(CNC3CCCC3)c3nn(C)c(=O)n3c2c1 12326484 BBOARANJGMEPQU-UHFFFAOYSA-N 324.428 2.835 0 40 DFAB CCCc1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 12881076 VMKKMEQKLKBRDS-UHFFFAOYSA-N 303.753 2.581 0 40 DFAB Cc1noc(C)c1C(=O)N1CCCCC[C@H]1c1ccn(C)n1 19580076 FRXKAIKHROSOJI-AWEZNQCLSA-N 302.378 2.782 0 40 DFAB Cc1cnc(CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)o1 153342427 FUJCZKYBCNIEBJ-OKILXGFUSA-N 321.421 2.957 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1ccco1)C2 155390437 SGFIAOBAOHCXEP-STQMWFEESA-N 320.389 2.894 0 40 DFAB C[C@H](C[C@@H](O)c1ccc(F)cc1)NC1CCC2(CC1)OCCO2 156419205 CMQIGMVPOHUZKG-CXAGYDPISA-N 323.408 2.913 0 40 DFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(O)c1 5375267 FZRXGLWYJUREKQ-HNNXBMFYSA-N 301.298 2.691 0 40 DFAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CC3)cc21 8959458 BEDONSYPOSFJOK-UHFFFAOYSA-N 302.374 2.807 0 40 DFAB Cc1occc1-c1nnc(SC[C@@H]2CCCN(C)C2=O)o1 553456024 FMJWDJHODPEWFX-JTQLQIEISA-N 307.375 2.599 0 40 DFAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1O 21866403 TUPORPZWMWKYQN-UHFFFAOYSA-N 317.366 2.894 0 40 DFAB CCC(=O)Nn1cnc2scc(-c3ccc(C)cc3)c2c1=O 15539029 FAVHKBLAFOUJAE-UHFFFAOYSA-N 313.382 2.914 0 40 DFAB CC[C@H](C(=O)Nc1nnc2n1CCCS2)c1ccccc1 17269286 KMQOUJWNNPLRRZ-LBPRGKRZSA-N 302.403 2.906 0 40 DFAB CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 1475556 VXBYYFUHRMMQNA-KSSFIOAISA-N 313.397 2.980 0 40 DFAB Cc1ccc(-c2ccc(OCC(=O)NCCC(=O)O)cc2)cc1 1792731 WVPBXFDRFVQSQY-UHFFFAOYSA-N 313.353 2.632 0 40 DFAB COc1cc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ccn1 249048329 HOQSPBWDARAHSL-RBGFHDKUSA-N 315.417 2.714 0 40 DFAB COCc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 30029714 ASAFUPBHBWAJAD-IBGZPJMESA-N 324.424 2.962 0 40 DFAB COc1cc2c(cc1CNCc1cccnc1OC)O[C@H](C)C2 30901340 BMZPYKTZLSJLDV-GFCCVEGCSA-N 314.385 2.712 0 40 DFAB Cc1oc(-c2cccs2)nc1CC(=O)NCC(F)(F)F 40488208 WLMPYXLRGPHLBR-UHFFFAOYSA-N 304.293 2.933 0 40 DFAB Cc1nc2ccccc2c(=O)n1C[C@H](O)c1ccc(F)cc1F 51319346 YORMAAKUCDQNNH-INIZCTEOSA-N 316.307 2.717 0 40 DFAB Cc1[nH]c2nc(-c3ccco3)nn2c(=O)c1Cc1ccccc1 101186055 HLBWUJDFCJIZEO-UHFFFAOYSA-N 306.325 2.577 0 40 DFAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)c(C)c1 316481 INROGVTULXBCID-LJQANCHMSA-N 309.365 2.740 0 40 DFAB CC(C)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23108710 ITYFGXMNVRFIIK-BBRMVZONSA-N 314.429 2.689 0 40 DFAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cc2c(C)noc2C)cc1 24267244 ATKLZQOQWAZAKL-ZDUSSCGKSA-N 301.342 2.957 0 40 DFAB CC(C)[C@H](Sc1nccn1C)C(=O)NCc1ccccc1F 42935360 HDXSGVXNPYVGSN-AWEZNQCLSA-N 321.421 2.992 0 40 DFAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O 191354 ICTTYRSAQDVVHL-UHFFFAOYSA-N 309.321 2.891 0 40 DFAB O=C(Cc1ccc2c(c1)OCCCO2)c1ccc(O)cc1O 238473 BCXSHRQOXUCWTE-UHFFFAOYSA-N 300.310 2.685 0 40 DFAB biogenic CC[C@@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 299646 GTDMBEAHNRSVAI-CQSZACIVSA-N 304.434 2.822 0 40 DFAB O=C(CCc1ccc(Br)cc1)Nc1cccnn1 79013941 BGGJVZSVVJRSQR-UHFFFAOYSA-N 306.163 2.810 0 40 DFAB CCC(CC)(CC(=O)OC)NCC(=O)N[C@H](C)c1ccccc1 79068514 ASWQHFVXYLOMFJ-CQSZACIVSA-N 320.433 2.575 0 40 DFAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc2cccnc12 34890320 COMWAMZVEMVNMU-SFHVURJKSA-N 317.392 2.647 0 40 DFAB Cc1ccc(C)c(Nc2nc(Cl)nc(N3CCOCC3)n2)c1 3150759 YQYNJWITZMSBLV-UHFFFAOYSA-N 319.796 2.722 0 40 DFAB COc1ccc(OCCSCC(=O)N[C@@H](C)C2CC2)cc1 56217021 OAKMWFPMHCZTMG-LBPRGKRZSA-N 309.431 2.722 0 40 DFAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1C 4535158 ZPUYOKZYISTMBV-NSHDSACASA-N 320.418 2.568 0 40 DFAB CCS[C@@H]1CCCCN([C@H](C)C(=O)NCC(F)(F)F)C1 107531040 NKTZXMYSCWKSBR-GHMZBOCLSA-N 312.401 2.661 0 40 DFAB CCN(CC)CCNC(=O)C1(c2ccccc2C)CCOCC1 57379299 KPRHRDNIFNPWEW-UHFFFAOYSA-N 318.461 2.501 0 40 DFAB Cc1ccc(-c2csc(NC(=O)CSCC(=O)O)n2)cc1 3232344 WCPJPSZBDPNVJY-UHFFFAOYSA-N 322.411 2.875 0 40 DFAB CN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CCCCC1 3285558 VETILFPKOFHKSX-UHFFFAOYSA-N 315.369 2.963 0 40 DFAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cn1 3219447 NLQRXAQBUNNXIC-UHFFFAOYSA-N 313.357 2.704 0 40 DFAB O=C(NCCc1cccs1)NCc1ccc2c(c1)OCO2 44892383 HEEXSOZPCYLWRU-UHFFFAOYSA-N 304.371 2.519 0 40 DFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)[C@H]1CCCO1 44910388 UCQXITLTEFVSOY-TZMCWYRMSA-N 320.389 2.514 0 40 DFAB COC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 58377684 AOVYJTRLJCXHJF-UHFFFAOYSA-N 313.353 2.511 0 40 DFAB CCCc1nc2oc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 2227257 FMTNXWLIPWSJCE-UHFFFAOYSA-N 313.357 2.868 0 40 DFAB Cc1cccc(-c2ccc(C(=O)NCc3ccco3)c(=O)[nH]2)c1 75117406 IJNAWWWUEDGMKV-UHFFFAOYSA-N 308.337 2.873 0 40 DFAB Cc1nn(C)c(NC(=O)c2cc(-c3cccs3)n[nH]2)c1C 75134187 CZCKIKLDPFCVEN-UHFFFAOYSA-N 301.375 2.741 0 40 DFAB CCc1ccc(C(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 58930779 YZECEUUIJGECJF-UHFFFAOYSA-N 316.445 2.970 0 40 DFAB Cc1ccc(-c2n[nH]cc2[C@H]2NC(=O)c3ccccc3N2C)o1 11034591 UFKLKARRHSZVOF-INIZCTEOSA-N 308.341 2.857 0 40 DFAB CNC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 11124736 LFAPRLOGVSAFNY-UHFFFAOYSA-N 317.776 2.750 0 40 DFAB COc1cccc(C2=Nn3c(nnc3-c3ccco3)SC2)c1 36646234 HUBFOHWJSDCBIV-UHFFFAOYSA-N 312.354 2.905 0 40 DFAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(F)cc1 101748053 FUUAOXCZTSOACV-OJVARPOJSA-N 301.317 2.533 0 40 DFAB Cn1nnnc1SCc1nc2cc(C(F)(F)F)ccc2o1 89741509 YBJXCIISPLPILQ-UHFFFAOYSA-N 315.280 2.662 0 40 DFAB Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)no1 104285847 ZUKHTAIFRSERHP-VUBIOHBQSA-N 322.364 2.912 0 40 DFAB O=C(NCCNc1ccc(O[C@H]2CCOC2)cc1)C1CCCC1 89793146 RRQJSMGDAWUEKL-KRWDZBQOSA-N 318.417 2.573 0 40 DFAB O=C(c1ncoc1-c1cccs1)N1CCOC[C@H]1C1CC1 89800050 LBZYHDVLMILLKQ-NSHDSACASA-N 304.371 2.654 0 40 DFAB CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)Cn2ccnc2)C1 110678709 YWMIZINGJUGEEI-MGPQQGTHSA-N 310.467 2.587 0 40 DFAB COc1ccc(CCNCC(=O)NC2CCCCCC2)cc1 3440392 MLEXRYQCNOKHEP-UHFFFAOYSA-N 304.434 2.666 0 40 DFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)nc1 3566225 JSACNOOXYGEORB-UHFFFAOYSA-N 312.778 2.853 0 40 DFAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(Br)o1 13168231 WBPFLHAGLCDSSB-UHFFFAOYSA-N 316.151 2.559 0 40 DFAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 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COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 8219011 COASVUHHYAEOOW-JTQLQIEISA-N 324.808 2.934 0 40 DFAB C[C@H](CNC(=O)COc1ccc2c(c1)OCO2)c1ccccc1 8429193 BKAYTMTZKXSDLV-CYBMUJFWSA-N 313.353 2.714 0 40 DFAB C[C@@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2C[C@H]1C 8734486 IXTYNCAMSIKDQD-RKDXNWHRSA-N 320.443 2.579 0 40 DFAB Cc1ccc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 8921814 SCGCUKADLKPWAU-UHFFFAOYSA-N 300.333 2.656 0 40 DFAB NC(=O)c1ccccc1NC(=O)c1ccc(Cl)nc1Cl 9051151 XUBVCVJJAVRWOH-UHFFFAOYSA-N 310.140 2.740 0 40 DFAB Cc1ccc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)cc1 9366739 QZEQMFUBKKJDSB-OAHLLOKOSA-N 310.397 2.645 0 40 DFAB Cn1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)n1 9388987 IHHVTLGNWZDGAW-GORDUTHDSA-N 324.153 2.974 0 40 DFAB CCc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 9830057 YNQWLASTDRBLKY-UHFFFAOYSA-N 307.353 2.818 0 40 DFAB COc1ccc(CNC(=O)c2ccc(NC(C)=O)s2)cc1 10131208 DEDBMVYCTLTANL-UHFFFAOYSA-N 304.371 2.645 0 40 DFAB O=C(C1CC1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)n[nH]1 12115761 NTCAGZQKTHIWAT-ZDUSSCGKSA-N 300.337 2.684 0 40 DFAB COc1ccccc1C1(NC(=O)CCn2cccn2)CCCC1 12143080 SXNUVVJCLZEJNM-UHFFFAOYSA-N 313.401 2.868 0 40 DFAB CCc1nc(COC(=O)c2ccc3c(c2)CCC(=O)N3)cs1 13008236 YAEKYIYRDIHVBX-UHFFFAOYSA-N 316.382 2.947 0 40 DFAB CC(=O)Nc1nc2ccc(C(=O)Nc3ccccn3)cc2s1 13728914 QGZRMHKTDTVGAR-UHFFFAOYSA-N 312.354 2.902 0 40 DFAB CCCc1ccc(NC(=O)COc2nnc3ccccn23)cc1 14368795 VDORDCSVIOHZCX-UHFFFAOYSA-N 310.357 2.699 0 40 DFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)cc2)c1 16693595 JKDFXHOOQNECOD-UHFFFAOYSA-N 319.382 2.747 0 40 DFAB CC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 19910503 LGJZEQXJCZYWGW-UHFFFAOYSA-N 306.325 2.722 0 40 DFAB COc1ccc(NC(=O)C(F)(F)F)cc1-c1ccc(CO)o1 20137034 GTOQAUXOBBUNEU-UHFFFAOYSA-N 315.247 2.948 0 40 DFAB Cc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(C)c2ccccc21 20758965 VAGBRPGRCANJJB-HXUWFJFHSA-N 317.392 2.842 0 40 DFAB biogenic CNC(=O)c1cc(Sc2ccc(NC(C)=O)cc2)ccn1 24984959 MKGODXNDHZBNIN-UHFFFAOYSA-N 301.371 2.551 0 40 DFAB CC1CCC(N(C)C(=O)CNC(=O)NCc2ccccc2)CC1 25627908 KYXPVFXDVGNIEH-UHFFFAOYSA-N 317.433 2.523 0 40 DFAB Cc1ccsc1CNC(=O)NC[C@H]1COc2ccccc2O1 26177213 ZPFQTGNSODNOBD-LBPRGKRZSA-N 318.398 2.696 0 40 DFAB Cc1cnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)s1 28228034 MBWSKXLERBUJMP-SECBINFHSA-N 306.343 2.586 0 40 DFAB O=C(COC(=O)Cc1ccsc1)NCCCc1ccccc1 28279348 AMOWTDXOOGNGPT-UHFFFAOYSA-N 317.410 2.583 0 40 DFAB C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCc2ccccc21 33056532 RMUUVDWRHZOVCX-KUHUBIRLSA-N 322.408 2.558 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCCCc1ccccc1 35898176 FGHCKURSFXJJHL-QZWWFDLISA-N 315.413 2.872 0 40 DFAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1ccc2c(c1)CCC2 38488350 UVQFWWBOYHIXEK-CQSZACIVSA-N 309.369 2.956 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)c(C(N)=O)c1 40501259 XSPAOOOQUAZTHW-IINYFYTJSA-N 323.824 2.546 0 40 DFAB CS(=O)(=O)CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 43751790 XBIONWKSVQVOIT-GOSISDBHSA-N 315.438 2.679 0 40 DFAB Cc1nc(CSCC(=O)N2CCc3sccc3[C@H]2C)no1 45671577 WWKGTHCTYDWZCI-SECBINFHSA-N 323.443 2.819 0 40 DFAB CCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)s1 47833280 LBAUFIZHZZITCA-CQSZACIVSA-N 322.474 2.964 0 40 DFAB CCC(CC)C(=O)NCCC(=O)N1CCc2sccc2C1 52022868 HEIALIPFHVAPHY-UHFFFAOYSA-N 308.447 2.575 0 40 DFAB CC(=O)c1c[nH]c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 58416106 ZDJKAXOHIBCZII-PXAZEXFGSA-N 312.369 2.820 0 40 DFAB O=C(NCc1ccoc1)[C@H](c1ccccc1)N1CCSCC1 58858899 LUUYCZCPPVJGAG-INIZCTEOSA-N 316.426 2.686 0 40 DFAB CCN(C)Cc1cccc(CNC(=O)NCc2cccnc2)c1 62473185 FVURXABRJCRJMT-UHFFFAOYSA-N 312.417 2.533 0 40 DFAB CC(C)n1nccc1NS(=O)(=O)c1ccc(F)cc1F 66248384 SISGFKFBSUCZBW-UHFFFAOYSA-N 301.318 2.543 0 40 DFAB COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCN1CCC(C)CC1 69371073 XHJJIUAWOGWANP-DLBZAZTESA-N 316.445 2.647 0 40 DFAB NC(=O)c1cccc(CCNC(=O)NCCC2=CCCCC2)c1 69563611 RVWCBMQKPUQTOQ-UHFFFAOYSA-N 315.417 2.518 0 40 DFAB CCc1noc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)n1 69703842 BHDOZDYWUORVAP-UHFFFAOYSA-N 312.373 2.736 0 40 DFAB Cc1ccc(CC(=O)N2CCC[C@H](n3ccnc3C)C2)s1 69901639 ATKNRBKZWYWEGF-AWEZNQCLSA-N 303.431 2.968 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)c1 70013671 ZCEYJBLWBHRHGM-WFASDCNBSA-N 316.405 2.591 0 40 DFAB Cc1ncsc1CN(C)[C@H]1CCN(c2ccccc2F)C1=O 71900568 HPTFKKXAXLQWFB-AWEZNQCLSA-N 319.405 2.828 0 40 DFAB CN(CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1 71915597 RIBSRKITTKBCNA-UHFFFAOYSA-N 305.399 2.605 0 40 DFAB Cc1nn(C)cc1-c1nc2cnccn2c1NCc1ccco1 72342062 HQJYPWZITNYNBH-UHFFFAOYSA-N 308.345 2.643 0 40 DFAB CN1C(=O)COc2ccc(NC(=O)c3cc4ccccn4c3)cc21 76091250 HOGUYYGLZJLHRW-UHFFFAOYSA-N 321.336 2.547 0 40 DFAB O=C(Nc1n[nH]c(-c2ccco2)n1)c1cc(-c2ccccc2)no1 76342062 PZYYSZHFDHFUSS-UHFFFAOYSA-N 321.296 2.972 0 40 DFAB CS[C@H](CNC(=O)CCn1cncn1)c1cccc(Cl)c1 78917422 ZEUFDSLORYVSHI-CYBMUJFWSA-N 324.837 2.542 0 40 DFAB CCCC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79096389 LXXOXZYEDXTHET-HNNXBMFYSA-N 304.434 2.803 0 40 DFAB Cc1ccc(CCCC(=O)NCC2(O)CCSCC2)s1 79911963 KVVLTZYHTPPYEB-UHFFFAOYSA-N 313.488 2.754 0 40 DFAB COc1cc(OC)cc(C(=O)NCC[C@H](O)c2ccccc2)c1 81253114 KGZBMARFOPMGIK-KRWDZBQOSA-N 315.369 2.557 0 40 DFAB CO[C@@H](CNC(=O)c1ccnc(F)c1)c1cccc(Cl)c1 81324601 QPCLOMPJZVBEPS-ZDUSSCGKSA-N 308.740 2.992 0 40 DFAB O=C(NC1CCOCC1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 84392812 NVJHHXYMHSQMJV-HZPDHXFCSA-N 322.380 2.524 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](Oc2ccncc2)C1 84525403 YTJFBJJHVLSTAS-RCCFBDPRSA-N 308.381 2.865 0 40 DFAB C[C@@H]1CCN(S(=O)(=O)c2cncc(F)c2)c2ccccc21 84700010 DDSOHORQSXXKKP-LLVKDONJSA-N 306.362 2.923 0 40 DFAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(OC(C)C)cc1)CC(=O)O2 85875501 LJVHUJOMBJJCBE-AWEZNQCLSA-N 313.353 2.912 0 40 DFAB biogenic Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3ccon3)cc2)n1 89595623 SXJZGQOVTWWWQV-AWEZNQCLSA-N 324.384 2.897 0 40 DFAB C[C@@H](C1CC1)N(C(=O)NCCc1cn2ccccc2n1)C1CC1 89894188 JXVRPVAQINZLDS-ZDUSSCGKSA-N 312.417 2.849 0 40 DFAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(OCC2CC2)c(F)c1 89904701 YLPRDYSBMVWFTM-BDJLRTHQSA-N 307.365 2.971 0 40 DFAB C[C@@H](Cc1ccc(Cl)cc1)NCC1(N(C)C)CCOCC1 91339409 CIPLPEVSPUTTPN-AWEZNQCLSA-N 310.869 2.971 0 40 DFAB COc1cccc2ccn(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)c12 94992978 WTPPIYXLOBATQA-KBMXLJTQSA-N 310.397 2.978 0 40 DFAB Cc1cc(C)n(CC(=O)N2c3ccccc3N(C)CC[C@H]2C)n1 95401687 WXPDZEXDHXCJQJ-CQSZACIVSA-N 312.417 2.762 0 40 DFAB CSC(C)(C)CNC(=O)NC1CCN(CC=C(C)C)CC1 95404608 XQWVCUITKPYQJK-UHFFFAOYSA-N 313.511 2.858 0 40 DFAB O=C(O)C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 95425233 DBSKTKYLFZINIK-DMERGQKLSA-N 323.339 2.828 0 40 DFAB O=C(NCC1CCSCC1)N[C@H]1CCOC2(CCCC2)C1 95426951 FLCHBUNFNPNZJY-AWEZNQCLSA-N 312.479 2.921 0 40 DFAB Cc1cscc1C(=O)Nc1cc(CSCCO)ccn1 95450309 CXDOJKJJZSQDRP-UHFFFAOYSA-N 308.428 2.929 0 40 DFAB O=C(NCCc1ccco1)c1[nH]nc2c1CCc1ccccc1-2 95478543 RCEMHFGQGKYPRV-UHFFFAOYSA-N 307.353 2.741 0 40 DFAB Cn1cnc2ccc(NC(=O)CCCc3ccccc3)cc2c1=O 95479418 DCRJWMRUDWFOGA-UHFFFAOYSA-N 321.380 2.895 0 40 DFAB O=C(O)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 95869872 PWHUNCHBVFJCSV-OAHLLOKOSA-N 320.389 2.835 0 40 DFAB CC(C)C(=O)NCCCNC(=O)N[C@H]1CCCc2sccc21 95944918 KMHDWJRWCXDKEX-ZDUSSCGKSA-N 323.462 2.587 0 40 DFAB CC(C)Cc1cc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)[nH]n1 95963198 UHGQKAOKVCAZRY-UHFFFAOYSA-N 310.361 2.646 0 40 DFAB C[C@@H]1OCC[C@@H]1S(=O)(=O)CCCc1ccc(Cl)cc1 95973638 NJCOXEVCUZJIJC-FZMZJTMJSA-N 302.823 2.865 0 40 DFAB Cc1ncccc1C(=O)NC[C@@H]1COC2(CCCCCC2)O1 95991686 SZMLZJAPHADAHF-CQSZACIVSA-N 304.390 2.586 0 40 DFAB c1cncc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 96057008 FNQHSACBUWAPRU-RBUKOAKNSA-N 316.445 2.879 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 96405893 UQJBNSIQMMACLL-IUIKQTSFSA-N 320.383 2.669 0 40 DFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccn(C(C)C)n1 96417818 DJPOAQSPAWELCU-UONOGXRCSA-N 310.467 2.937 0 40 DFAB CCO[C@@H]1C[C@H](N(C)CC2CCN(C(C)=O)CC2)C12CCCC2 96419711 UXEORFMZDCXNKI-ZWKOTPCHSA-N 322.493 2.915 0 40 DFAB Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cnn(CC(C)C)c1 96435515 LCKMEYZRWMPNIR-LLVKDONJSA-N 319.409 2.897 0 40 DFAB COCCCCS(=O)(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 97097118 VPZJIMGCBAJCIC-GOEBONIOSA-N 323.458 2.897 0 40 DFAB Cc1nc2n(c1C)CCN(Cc1ccn(-c3ccccc3)n1)C2 97201613 NGLGVTSAIRIFJA-UHFFFAOYSA-N 307.401 2.701 0 40 DFAB O=[S@](Cc1cnn(-c2ccccc2)c1)CC1CCOCC1 97229810 JMIMIAQUZIIFOU-OAQYLSRUSA-N 304.415 2.548 0 40 DFAB Cc1c(-c2ccccc2)nc(SCCn2ccnc2)[nH]c1=O 97377514 ADCPKNOLDGESBT-UHFFFAOYSA-N 312.398 2.734 0 40 DFAB O=C1CCCN1CCC(=O)N1CC2(CCCC2)c2ccccc21 98018938 MUJMEFDKMQVWAK-UHFFFAOYSA-N 312.413 2.858 0 40 DFAB COc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@H]2C32CC2)c1 100629088 LYJUWOLHXJASTH-XQLPTFJDSA-N 313.353 2.547 0 40 DFAB C[C@@](O)(CNC(=O)c1ccc2ncsc2c1)c1cccs1 172417217 SYXLUPPILGLCFX-OAHLLOKOSA-N 318.423 2.995 0 40 DFAB O=C(c1ccc(O)cc1F)N1CCCCC[C@H]1c1ncon1 189599194 OBVZYGRQCJRUCP-ZDUSSCGKSA-N 305.309 2.672 0 40 DFAB Cc1ccc(CNC[C@H]2COC3(CCOCC3)O2)cc1Cl 195449600 ZIFLOSQHHVUVQT-AWEZNQCLSA-N 311.809 2.660 0 40 DFAB CCC(CC)[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C1 195555719 CDKLJWNMVDYFMA-CYBMUJFWSA-N 300.406 2.867 0 40 DFAB O=CN1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1 203386818 NSIIXRLCLGAKTL-HNNXBMFYSA-N 312.300 2.862 0 40 DFAB O=CN1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(F)cc1 203386827 NSIIXRLCLGAKTL-OAHLLOKOSA-N 312.300 2.862 0 40 DFAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc(F)cc1F 224294380 JJQLGMICXODKRM-UHFFFAOYSA-N 306.316 2.690 0 40 DFAB Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCc2[nH]cnc2C1 225515647 RECQOEGHWVOTBB-HNNXBMFYSA-N 322.412 2.594 0 40 DFAB C/C(=C\c1ccccc1)C(=O)NCCn1ccc2ccoc2c1=O 253472543 NKQXQESVHSBFLR-BUHFOSPRSA-N 322.364 2.814 0 40 DFAB COc1ccc(CCNCc2ccnn2C(C)C)cc1OC 256053463 ROFCXBRDFFNPMU-UHFFFAOYSA-N 303.406 2.814 0 40 DFAB CO[C@H]1CN(C(=O)CCc2ccccc2F)CC[C@@]12CCCO2 257201945 AJSSRSQBUVDONA-WMZOPIPTSA-N 321.392 2.555 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](Cc2ccn[nH]2)C1 257249988 JKNWGEIZMPCHRT-AWEZNQCLSA-N 322.412 2.915 0 40 DFAB Cc1ccnc([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257257219 KOPQSQLQWSWFDA-CYBMUJFWSA-N 309.360 2.926 0 40 DFAB Cc1ncc(CNC(=O)c2ccsc2)c([C@H]2CCCN2C)n1 257292025 QJQJBHJHGSLJBA-CQSZACIVSA-N 316.430 2.543 0 40 DFAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 257292110 QKBJLDTYYMMNOA-ZDUSSCGKSA-N 304.438 2.736 0 40 DFAB c1cnc(Nc2cc([C@@H]3CCCN3Cc3ncc[nH]3)ccn2)cn1 257303385 SGZQGVRAUCOGQN-AWEZNQCLSA-N 321.388 2.675 0 40 DFAB CN1C(=O)CCC[C@@H]2CN(C(=O)c3ccccc3Cl)CC[C@H]21 257306872 SWIYSJPTDUWMIX-IUODEOHRSA-N 320.820 2.813 0 40 DFAB OCc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)o1 548677016 BWNWBKPEKCCCCC-STQMWFEESA-N 324.421 2.536 0 40 DFAB O=C(C1CCCCC1)N1CCOC[C@@H](Cc2ccccn2)C1 1848355569 AQEFNSQTRINQBL-HNNXBMFYSA-N 302.418 2.679 0 40 DFAB OCCN1CCC(Cc2cccc(Nc3nccs3)n2)CC1 2037834797 QIUGDHPLEJRFSB-UHFFFAOYSA-N 318.446 2.529 0 40 DFAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2nccc3occc23)C1 2298182294 KZNBWNVKNQYOPC-GFCCVEGCSA-N 301.390 2.959 0 40 DFAB Fc1ccc(F)c(CNC[C@H]2CCN(CC(F)(F)F)C2)c1 37648478 TYUXBJXMUMTBRD-SNVBAGLBSA-N 308.294 2.939 0 40 DFAB O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 128744 DNIUWHURUBQDJU-UHFFFAOYSA-N 320.270 2.757 0 40 DFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1nnnn1-c1ccccc1 105932504 BDRSMSAXXVLPJZ-IHRRRGAJSA-N 312.373 2.532 0 40 DFAB O=C(C[C@H]1CCCO1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 106153414 GFEKUUHKSGKSGP-XJKSGUPXSA-N 322.836 2.852 0 40 DFAB CC(=O)Nc1nc(CSC(=S)N2CCCC2)cs1 24916320 HZPKECLDMDIJMO-UHFFFAOYSA-N 301.462 2.715 0 40 DFAB O=C(NCCc1nnc[nH]1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 107149916 GSXZXKFDNMJKJY-TXPKVOOTSA-N 324.428 2.513 0 40 DFAB COc1cc2c(cc1OC)CCN(C(=O)[C@@H]1CC=CCC1)CC2 56462255 QKRRSDPSFUYQAX-CQSZACIVSA-N 315.413 2.987 0 40 DFAB CCCNC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 56545593 WDYNVWDSTKXHMG-UHFFFAOYSA-N 323.824 2.608 0 40 DFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c(C)c1 7230449 YCPHWAFVUJBJQJ-UHFFFAOYSA-N 323.345 2.942 0 40 DFAB COc1cccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)c1 101275930 PXDSQAJQHVNTPN-OAHLLOKOSA-N 314.316 2.578 0 40 DFAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc2[nH]ccc2c1 107560279 DIFOPWBQGQEDLI-OAHLLOKOSA-N 310.357 2.796 0 40 DFAB CC(C)Oc1cccc(CNC(=O)NC2CCC(O)CC2)c1 57451988 CORDLLLKABCTFX-UHFFFAOYSA-N 306.406 2.577 0 40 DFAB O=C(NC1(C(=O)O)CCCC1)c1ncoc1-c1cccs1 95424227 GCXHTTCGLHPIRQ-UHFFFAOYSA-N 306.343 2.530 0 40 DFAB CC(C)C(=O)N1CC[C@@H](N[C@@H]2CSCCc3ccccc32)C1 95423795 NQLZCDPQDPDHIB-NVXWUHKLSA-N 318.486 2.864 0 40 DFAB COc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cc1 95421294 FQTMDUDOLUSRFJ-YPMHNXCESA-N 302.340 2.982 0 40 DFAB COc1cc(CNC(=O)c2ccncc2)ccc1OC(F)F 10440948 NASRCCIHCZSNBU-UHFFFAOYSA-N 308.284 2.622 0 40 DFAB O=c1cc2c(nn1CN1CCC(Cc3ccccc3)CC1)CCC2 58402862 XXPXARGRIUBMGD-UHFFFAOYSA-N 323.440 2.644 0 40 DFAB NC(=O)Nc1cccc(CNC(=O)CCCc2ccccc2)c1 58441772 IDPXHJUIJBALLR-UHFFFAOYSA-N 311.385 2.816 0 40 DFAB Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1cccnc1 58403191 VMLWOGSIPMRXQT-CMDGGOBGSA-N 318.380 2.905 0 40 DFAB Cc1cnc(CCN(C)C(=O)c2cccc(N(C)C)c2)s1 95438262 BHHQCAXLINMTJL-UHFFFAOYSA-N 303.431 2.832 0 40 DFAB CCc1cccc(C)c1NC(=O)Cn1nc(C)c(CCO)c1C 95460307 RTSJTYQDWFGKAI-UHFFFAOYSA-N 315.417 2.544 0 40 DFAB CCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccn1 28251991 RZVPQJHIHIEUOT-UHFFFAOYSA-N 306.387 2.980 0 40 DFAB Cn1c(-c2ccccc2)cnc1S[C@@H]1CCCCNC1=O 10989643 XTLWOCRXYQYJRQ-CQSZACIVSA-N 301.415 2.848 0 40 DFAB C[C@H](NC(=O)c1ccc(Cl)o1)c1nnc2n1CCCCC2 29894015 PUFNJUGYNQWTOC-VIFPVBQESA-N 308.769 2.742 0 40 DFAB O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCCO3)on1 11916835 RSEQSSUOBWFOAV-UHFFFAOYSA-N 323.308 2.760 0 40 DFAB C[C@H](NCC(C)(C)C(N)=O)c1sccc1Br 95462743 CJCMNVSMIDJUAB-ZETCQYMHSA-N 305.241 2.673 0 40 DFAB O=C(OCCNc1ccc(-c2ccccc2)nn1)c1cccnc1 95426611 OGTVVYHHBGTPSW-UHFFFAOYSA-N 320.352 2.808 0 40 DFAB COCC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1 13014355 VVYCDZVIMRVBBL-UHFFFAOYSA-N 304.371 2.514 0 40 DFAB C[C@H](NCCCn1ccnc1)c1ccc(N2CCOC2=O)cc1 95419072 ZJAVIPJPSIXCDT-AWEZNQCLSA-N 314.389 2.581 0 40 DFAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 5170913 BXWWZBVAZXICLT-UHFFFAOYSA-N 321.380 2.812 0 40 DFAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)cc1 65844447 HONUAZVRDSAXBX-UHFFFAOYSA-N 321.354 2.503 0 40 DFAB O=S(=O)(Nc1ncnc2sccc12)c1cccc(F)c1 6623230 WCLOGFMIUBOPGW-UHFFFAOYSA-N 309.347 2.631 0 40 DFAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cn1 71841383 XUUSYYZJCAABSB-RRFJBIMHSA-N 301.415 2.949 0 40 DFAB CCCC(=O)Nc1ccc(C(=O)NCCCN(CC)CC)cc1 4723578 XNDYAFHCFFYWSJ-UHFFFAOYSA-N 319.449 2.887 0 40 DFAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccccc1)c1ccco1 9955986 SWBJQQVVHRICGX-OAHLLOKOSA-N 312.369 2.763 0 40 DFAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 6919623 VWBWBLBBQSZZMS-UHFFFAOYSA-N 303.383 2.985 0 40 DFAB Cc1cnc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cn1 71908563 VPUNDAFMBMQADK-INIZCTEOSA-N 310.401 2.526 0 40 DFAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)c2ccccc2)c1C 7589356 UQBBDUNVNOGDFR-UHFFFAOYSA-N 300.358 2.737 0 40 DFAB CCCNC(=O)[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 7627956 RAHIMPUFXOPBKF-CYBMUJFWSA-N 316.401 2.623 0 40 DFAB Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c(=O)[nH]1 68379215 KIOLELQZYRNJDJ-QGZVFWFLSA-N 308.381 2.975 0 40 DFAB CCOC(=O)c1c(C)n(CCO)c2c1cc(O)c1ccccc12 68686867 WNEMSKOFYBVTTC-UHFFFAOYSA-N 313.353 2.978 0 40 DFAB Cc1ncc(C[S@](=O)Cc2cn3cccc(C)c3n2)s1 83953131 ZNUGLDNOQHSKTD-FQEVSTJZSA-N 305.428 2.857 0 40 DFAB CO[C@H](CNC(=O)c1ccnc(F)c1)c1cccc(Cl)c1 81324602 QPCLOMPJZVBEPS-CYBMUJFWSA-N 308.740 2.992 0 40 DFAB Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1C 81323005 TUADBKXNPMUSOJ-HOCLYGCPSA-N 323.458 2.790 0 40 DFAB CCO[C@@H]1C[C@@H](NC2CCN(C(C)=O)CC2)C12CCCCC2 95961135 CIGDGJPPFYNBNJ-IAGOWNOFSA-N 308.466 2.715 0 40 DFAB C/C=C/C=C/C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69459116 WKFCKKQOBNAXFF-VHQPUXFHSA-N 317.364 2.680 0 40 DFAB C[C@@H]1CCCC[C@H]1OCCN1CCC[C@H](Cn2cncn2)C1 69628473 JIZRGXDBWPBNNF-IXDOHACOSA-N 306.454 2.585 0 40 DFAB C[C@@H](CCC(=O)O)NC(=O)CSc1ccccc1Cl 70310859 BFKUWTGBARWEMK-VIFPVBQESA-N 301.795 2.802 0 40 DFAB COc1c([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)c(C)nn1C 72234286 MNEKYGDNGCTPFC-UONOGXRCSA-N 303.406 2.757 0 40 DFAB c1csc(-c2noc(CN3CCC[C@@H]3Cn3cccn3)n2)c1 69740165 QGQPKEKEJCBCEE-GFCCVEGCSA-N 315.402 2.659 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)no1 72231936 PQJIAALTNVCIDT-CYBMUJFWSA-N 305.403 2.778 0 40 DFAB C[C@@H]1C[C@H]1c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)o1 8778832 NYSWQDJLNDEQKW-IQMDTDKHSA-N 307.357 2.849 0 40 DFAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](Cn2cncn2)C1 95995006 DQWVDWGMBJDHOJ-LLVKDONJSA-N 321.331 2.500 0 40 DFAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1 18699479 GRYUVSQKMIAECT-NSHDSACASA-N 316.382 2.924 0 40 DFAB CCc1ccc([C@H](CO)NCc2nc3nccc(C)c3[nH]2)cc1 97103369 RYKMUQKSMAAOPG-HNNXBMFYSA-N 310.401 2.652 0 40 DFAB O=S(=O)(c1c(F)cccc1Cl)N1CCCSCC1 97146848 KKSOZVQRQZNANM-UHFFFAOYSA-N 309.815 2.607 0 40 DFAB C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccccc1Br 97232657 VHWABUHMEYETLD-GWCFXTLKSA-N 312.207 2.825 0 40 DFAB CC(C)[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccn1 74346428 MDPHBDDJUQQXBU-HLLBOEOZSA-N 316.449 2.657 0 40 DFAB O=C(NCC(=O)c1ccco1)c1cncc(-c2ccccc2)c1 97372590 PEMFXCYIPXQEPE-UHFFFAOYSA-N 306.321 2.954 0 40 DFAB O=C(OCCc1c[nH]nc1C(F)(F)F)[C@H]1C[C@@H]1c1ccco1 84432338 XNWRBIAXCOZXII-UWVGGRQHSA-N 314.263 2.911 0 40 DFAB CC[C@H](C(=O)Nc1ccc(OC)cc1Cl)N1CCCC1=O 84718766 FPIRMMZPCPPQKS-CYBMUJFWSA-N 310.781 2.688 0 40 DFAB CCC(C)(CC)NC(=O)N[C@H](C)c1nnnn1-c1ccccc1 89942049 XKSXRDYIFBRONY-GFCCVEGCSA-N 316.409 2.601 0 40 DFAB COc1ccccc1NC(=O)N1CCC(c2n[nH]c(C)n2)CC1 75582519 MWPWNNWQUAAGBH-UHFFFAOYSA-N 315.377 2.533 0 40 DFAB COc1ccc(-c2n[nH]cc2C(=O)N(C)Cc2ccccn2)cc1 76061092 IZFPDRITLWHEID-UHFFFAOYSA-N 322.368 2.753 0 40 DFAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccnc1 76856908 VTGHATIDBWENGJ-TZMCWYRMSA-N 320.389 2.787 0 40 DFAB Cc1ccc(OCC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1C 28295316 XLVAXEJEYWVORY-BRWVUGGUSA-N 307.434 2.542 0 40 DFAB O=C(O)c1cc(S(=O)(=O)C(F)F)c(Cl)cc1Cl 218301377 SIKSETJIALDQSV-UHFFFAOYSA-N 305.085 2.688 0 40 DFAB CC(C)N(CC(=O)O)C[C@H]1CCCCN1C(=O)OC(C)(C)C 79392403 ZMXZMYZAOMPAOQ-CYBMUJFWSA-N 314.426 2.571 0 40 DFAB Cc1nc(Nc2ccc(Cn3cncn3)cc2)sc1C(=O)O 36047706 XGAFOLPEUDYGIR-UHFFFAOYSA-N 315.358 2.533 0 40 DFAB COC(=O)NCCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 78151008 YRDNSQIVNWFTHS-JKSUJKDBSA-N 318.417 2.650 0 40 DFAB CCn1ccnc1[C@H](C)NC(=O)c1ccc2c(C)cc(O)nc2c1 565759140 DNEQNADPTOBADI-LBPRGKRZSA-N 324.384 2.956 0 40 DFAB CN(Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1 79463606 PHXGIGDPIVBQTE-UHFFFAOYSA-N 322.405 2.824 0 40 DFAB O=C(NCC[C@H](O)c1ccco1)c1ccccc1Br 77111175 MKCSTHPPRCVALN-LBPRGKRZSA-N 324.174 2.896 0 40 DFAB Cc1cccc(Nc2cc(N3CCC[C@H](C(=O)O)C3)ncn2)c1 217363298 DJRZHMRIDMTXMR-ZDUSSCGKSA-N 312.373 2.830 0 40 DFAB CCn1cc(NC(=O)N[C@@H](C)c2ccc(OC)cc2OC)cn1 43644794 CXEWXGWUIZDNCH-NSHDSACASA-N 318.377 2.803 0 40 DFAB O=C1CCCN1[C@H]1CCCN(CCOC2CCCCCC2)C1 77286436 ONCYSTSSUTYLLY-INIZCTEOSA-N 308.466 2.813 0 40 DFAB Cc1nn(CC(=O)O)c(C)c1[C@H]1CCCN1C(=O)OC(C)(C)C 217458748 QMEDTWHNKRIZAQ-GFCCVEGCSA-N 323.393 2.657 0 40 DFAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1 225671204 JRPVARNJJARBGM-QGZVFWFLSA-N 321.373 2.684 0 40 DFAB COc1ccccc1C(C)(C)NC(=O)c1cnc2[nH]ncc2c1 1542920989 DZSPUOMFAWEVCD-UHFFFAOYSA-N 310.357 2.632 0 40 DFAB O=C(CCc1ccc(F)cc1)N[C@H](C(=O)O)c1ccccc1 195542700 UZPZUQVXWPNAOU-INIZCTEOSA-N 301.317 2.700 0 40 DFAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(F)cc1F 225719125 ILRKCZYBXVQQQO-UHFFFAOYSA-N 314.291 2.918 0 40 DFAB CC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1 195555014 KVMZUEOXDHJBRC-KSSFIOAISA-N 318.461 2.876 0 40 DFAB Cc1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(C)n1C1CC1 81835329 YSWRNXILLSZBDZ-QGZVFWFLSA-N 302.374 2.670 0 40 DFAB c1ccc(SCCN2CCCN(c3ncccn3)CC2)cc1 96410342 JIFKSAAMPJUNHP-UHFFFAOYSA-N 314.458 2.781 0 40 DFAB COc1ccc([C@@H]2C[C@H](C)Nc3nc(SC)nn32)cc1OC 95471717 UCDIVYDBAFEKSY-ONGXEEELSA-N 320.418 2.811 0 40 DFAB CCO[C@@H](C)c1nc(Cn2ccnc2-c2cnccn2)cs1 96424900 KMOOULUMACCFAI-NSHDSACASA-N 315.402 2.942 0 40 DFAB Cn1cc(NC(=O)NCc2ccccc2OC2CCC2)cn1 96411495 DVHXGTYHMZGEJF-UHFFFAOYSA-N 300.362 2.673 0 40 DFAB c1cc(CO[C@H]2COC3(CCN(C4CCC4)CC3)C2)ccn1 96106876 QLFCCSYUAQCQDW-QGZVFWFLSA-N 302.418 2.774 0 40 DFAB Cc1[nH]ncc1CCCNC(=O)c1cc2cccc(F)c2o1 96436281 BPCLNZNJZHCYEO-UHFFFAOYSA-N 301.321 2.966 0 40 DFAB CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccnn1C 96460130 GJIJRHBTVCRKPA-UHFFFAOYSA-N 300.749 2.898 0 40 DFAB O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)[C@H](O)c1ccccc1 95450356 SWNQGRVWPKHZRF-OKZBNKHCSA-N 311.381 2.757 0 40 DFAB COC[C@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)CO1 96105776 HKMZUANEGHQLJO-MRXNPFEDSA-N 303.402 2.653 0 40 DFAB Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 257263167 LORVPBZTIYXSBP-AWEZNQCLSA-N 322.412 2.768 0 40 DFAB c1cnc(N2CCC3(CC[C@H](Cc4cccnc4)OC3)CC2)nc1 257328224 XESJWAWYRKKKGR-QGZVFWFLSA-N 324.428 2.880 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@]1(C)c1ccnc2ccnn12 257234773 GVANUHFQHOXGMF-INIZCTEOSA-N 302.378 2.975 0 40 DFAB Cc1c[nH]c([C@H]2CCN(C(=O)CCOc3ccccc3F)C2)n1 257203758 ARNBSGSIPNLHCV-ZDUSSCGKSA-N 317.364 2.642 0 40 DFAB O=C(Cc1ccccc1F)N1CC(Cc2nccc3cc[nH]c23)C1 257333406 YBKCCLLAHLHQBQ-UHFFFAOYSA-N 323.371 2.946 0 40 DFAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cscn2)ccn1 257248016 JBRPUZOMBNSEJE-ZDUSSCGKSA-N 302.403 2.581 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)Cc2ccsc2)nc(C)n1 257207488 BHZJVLBIVACYIL-CQSZACIVSA-N 316.430 2.794 0 40 DFAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257335034 YIKYCOZUZKCMTG-INIZCTEOSA-N 307.357 2.639 0 40 DFAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2Cc1ccc(C(=O)O)cc1 257271632 MZCWIOZCYRUUKA-MJQMVNBJSA-N 314.429 2.832 0 40 DFAB CCOc1cccc(S(=O)(=O)Nc2c(C)cccc2O)c1 390835660 UNKWQJCOGZXZPN-UHFFFAOYSA-N 307.371 2.900 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575403487 LYLMTHJOSLALKY-OAHLLOKOSA-N 320.458 2.731 0 40 DFAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(F)c(F)c1 78898386 YWTQZNZROXZDAB-MEDUHNTESA-N 308.372 2.701 0 40 DFAB O=C(O)[C@H](Cc1cccc(Br)c1)N1CCCCC1 41562990 LXJVCJWWKNYMOQ-ZDUSSCGKSA-N 312.207 2.931 0 40 DFAB Cc1nc(CN2CC[C@H](O)[C@H](Cc3ccccc3)C2)cs1 1615192475 ULGIEUNSWAAZQG-WBVHZDCISA-N 302.443 2.877 0 40 DFAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C)on1 12147762 GEIFFFJARZAFNQ-UHFFFAOYSA-N 310.375 2.916 0 40 DFAB CN(C)c1ncc(C(=O)NC2(c3ccccc3)CCCC2)cn1 12197339 NIOGQVAYXMDCDG-UHFFFAOYSA-N 310.401 2.742 0 40 DFAB O=C(Nc1cccc2c(O)n[nH]c(=O)c12)c1ccc(Cl)cc1 16430902 XTKOABBGZFQUPF-UHFFFAOYSA-N 315.716 2.534 0 40 DFAB CCOc1ccc(S(=O)(=O)n2ccnc2CC)c(C)c1C 19942754 OSUXFPJHSPYNDD-UHFFFAOYSA-N 308.403 2.698 0 40 DFAB COC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C 5533760 HNMGFDUNGZRUPN-CMDGGOBGSA-N 302.355 2.890 0 40 DFAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1N)c1ccccc1 11692183 CZJLVSYLKAUTJL-CYBMUJFWSA-N 306.369 2.946 0 40 DFAB COC(=O)[C@@H]1C[C@@H](N2CCCC2)CCN1CC1CCCCC1 2055772099 WQWDLTNJSVMDCR-IRXDYDNUSA-N 308.466 2.669 0 40 DFAB CN1C(=O)CCc2cc(NC(=O)NCCc3ccccc3)ccc21 22507221 LLQMYAGNQNPXBK-UHFFFAOYSA-N 323.396 2.960 0 40 DFAB O=C(NC[C@@H]1CCCN1c1ncccn1)c1ccccc1Cl 618255990 BNBUNRWTLYOREU-LBPRGKRZSA-N 316.792 2.529 0 40 DFAB CC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C3CC3)ns2)C1 678399335 VLIIIFITHMGDJY-NSHDSACASA-N 308.451 2.547 0 40 DFAB COc1cccc(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)c1OC 11694721 QVMIGFDFQXZUNV-UHFFFAOYSA-N 313.313 2.649 0 40 DFAB Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)nc2)o1 30299168 JSNIJYIBACVVKH-VQHVLOKHSA-N 311.385 2.913 0 40 DFAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cccnc2)c1 40541797 KSXSQODXVANGBN-CYBMUJFWSA-N 311.385 2.540 0 40 DFAB O=c1[nH]c2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1 101332966 JKGNTBVWGSNDIY-UHFFFAOYSA-N 303.321 2.674 0 40 DFAB CN(CC(=O)N1CCc2sccc2C1)c1ccc(F)cc1 52190701 CNNPSVLKJGUNIV-UHFFFAOYSA-N 304.390 2.908 0 40 DFAB O=C(Nc1ccccc1NC(=O)[C@H]1CCCO1)c1ccco1 367922 SZZDUVLZSVBBJV-CQSZACIVSA-N 300.314 2.649 0 40 DFAB O=C(O)/C=C/C(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 532307 ZTCZGEQIGMDKOG-QRGHLMKCSA-N 316.338 2.660 0 40 DFAB CCCCn1nc(C)c(C(=O)N[C@H](C)Cn2cccn2)c1Cl 42366820 ADOXDUQGZHOJPI-LLVKDONJSA-N 323.828 2.660 0 40 DFAB CCn1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)cn1 73304456 PDIFDXGBCJZOBX-UHFFFAOYSA-N 310.401 2.780 0 40 DFAB CC(C)S(=O)(=O)CCCSc1nccn1C(C)(C)C 95412675 LYBGRMMCUFASRQ-UHFFFAOYSA-N 304.481 2.944 0 40 DFAB Cc1nnc(SCC(=O)NC(C)(C)C)n1-c1ccccc1 2379903 KEEDCEJPZRGRHY-UHFFFAOYSA-N 304.419 2.583 0 40 DFAB Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](O)C1 43449171 KEOWXWUBDFNDSY-NSHDSACASA-N 313.195 2.746 0 40 DFAB NC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 2747338 ZNLAQZJPTRPNQO-UHFFFAOYSA-N 303.387 2.914 0 40 DFAB CC[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CCO1 55878207 WZORSHCJRWICLX-HNNXBMFYSA-N 319.792 2.777 0 40 DFAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 35153309 QSLUZWCQKYNQPK-ZDUSSCGKSA-N 309.793 2.684 0 40 DFAB C=Cc1ccc(Cn2c(=O)n(CC)c(=O)c3sccc32)cc1 6679108 PDIAXNCDPRRHFM-UHFFFAOYSA-N 312.394 2.936 0 40 DFAB O=C(O)[C@H]1CCCN1CCOc1c(Cl)cccc1Cl 35301758 WQEREPGKFGISAU-LLVKDONJSA-N 304.173 2.921 0 40 DFAB Cc1cn2c(=O)cc(COC(=O)c3ccccc3F)nc2s1 8605476 RYJWQIRDNPHFJN-UHFFFAOYSA-N 318.329 2.561 0 40 DFAB CCOc1ccc(-c2noc(CN3C[C@H](C)O[C@H](C)C3)n2)cc1 44871200 VWBSLFGVVAYTCO-BETUJISGSA-N 317.389 2.745 0 40 DFAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cccnc1 58295548 WQQXJJWNFOXGDZ-ZDUSSCGKSA-N 310.275 2.564 0 40 DFAB Cn1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc21 10376803 GRUJTFJIGGOMMW-MRXNPFEDSA-N 308.337 2.562 0 40 DFAB Cc1ccc(Nc2nnc(SCC(N)=O)s2)cc1Cl 9647518 CKSMGHNIXXCMLW-UHFFFAOYSA-N 314.823 2.821 0 40 DFAB Cc1cccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2C)c1 21224004 LKZPEWHNPCLLKQ-HOCLYGCPSA-N 302.418 2.810 0 40 DFAB Cc1cccc(COC(=O)c2cccc(S(C)(=O)=O)c2)c1 11319601 HCBGVBLHNCWGKK-UHFFFAOYSA-N 304.367 2.756 0 40 DFAB O=C(NC1c2ccccc2Oc2ccccc21)C(=O)N1CCCC1 59497691 FDOACTODSAOUIV-UHFFFAOYSA-N 322.364 2.620 0 40 DFAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 2527318 VRCJPGMBINFMCH-QWHCGFSZSA-N 309.337 2.861 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1 57355522 OUJXBQFBTNWHRX-AEFFLSMTSA-N 314.429 2.999 0 40 DFAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1 2620065 BHUYDZDOMFVDRA-UHFFFAOYSA-N 306.339 2.549 0 40 DFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccnc(Cl)c2)C1 48267596 UFLIEXZJIZPLJI-STQMWFEESA-N 309.841 2.833 0 40 DFAB O=C(CSc1nncs1)N[C@H]1CCCc2ccccc21 3389492 WXCIELVSOOVPLG-LBPRGKRZSA-N 305.428 2.824 0 40 DFAB CC[C@@H](C)OCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 96009261 DHHWPSQVQCZYLT-CQSZACIVSA-N 306.406 2.575 0 40 DFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1 12891973 KXZUFLSROMRSDO-MRXNPFEDSA-N 304.415 2.859 0 40 DFAB O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 24577477 YWZQNHCHYLASDB-UHFFFAOYSA-N 317.345 2.812 0 40 DFAB CC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4157326 PMNXEXMMLCDUGS-DHMWGJHJSA-N 301.342 2.575 0 40 DFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6218520 NVKBEPKYVJKDBM-SFHVURJKSA-N 322.408 2.660 0 40 DFAB Cc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 5292063 LZACVTSHNCNJHM-UHFFFAOYSA-N 314.385 2.741 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)C[C@@H](C)C2)cc1 14013974 RZXLLIWUNXVWLX-MJBXVCDLSA-N 317.433 2.950 0 40 DFAB CCOC(=O)C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 5352395 AZHCLMSAGXYZAA-UHFFFAOYSA-N 318.348 2.722 0 40 DFAB O=c1[nH]c2ccccc2c(=O)n1CCSc1ccc(F)cc1 5387701 FGCZHOYMHCSUMX-UHFFFAOYSA-N 316.357 2.621 0 40 DFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 14189138 ZOGKVBYOISICJB-CQSZACIVSA-N 320.389 2.942 0 40 DFAB O=C1C=C(N(CCO)Cc2ccccc2)C2(CCCCC2)O1 4771414 AZRCRWZDCVKLDE-UHFFFAOYSA-N 301.386 2.625 0 40 DFAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 408707049 GODZVIHRXOWNOQ-KRWDZBQOSA-N 322.408 2.918 0 40 DFAB Cc1n[nH]c(C)c1CCc1nc(-c2ccc3c(c2)OCO3)no1 9575519 SPPNMKXOMPMICK-UHFFFAOYSA-N 312.329 2.590 0 40 DFAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 66915535 OQTPKVWPPNNVIE-OFQRWUPVSA-N 306.406 2.652 0 40 DFAB CCCCc1nc(C)c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)s1 71829580 HJJUISYYEAPEDE-PWSUYJOCSA-N 323.462 2.520 0 40 DFAB Cc1noc(C)c1CC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 71827254 FBKGSGGUOQIUCG-YVEFUNNKSA-N 314.385 2.823 0 40 DFAB O=C(CSc1nnc(NC2CC2)s1)NCc1ccccc1 7577318 ZGYXVKWKAIWHID-UHFFFAOYSA-N 320.443 2.521 0 40 DFAB O=c1[nH]c2ccc(-c3csc(NC[C@H]4CCCO4)n3)cc2o1 7737296 IXZPZSBZFFEIQH-SNVBAGLBSA-N 317.370 2.836 0 40 DFAB c1cnn(-c2ccc(CN3CCCC[C@H]3C3OCCO3)cc2)c1 69290035 VYIRZTRVTLKHTQ-KRWDZBQOSA-N 313.401 2.600 0 40 DFAB Clc1ccc2nnn(OCc3cc(-c4ccco4)on3)c2c1 8223680 ODAFECPALSOJAH-UHFFFAOYSA-N 316.704 2.962 0 40 DFAB COCCOCC(=O)NCc1ccc(Oc2ccccc2)cc1 69348138 QGXYLZVXCSQRRC-UHFFFAOYSA-N 315.369 2.758 0 40 DFAB CC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)n(C)n1 97018496 NDGVQLCLDQJQHB-UHFFFAOYSA-N 315.373 2.514 0 40 DFAB Fc1cccc2[nH]c(CN3CCCC[C@@H]3Cn3cccn3)nc12 69659364 SZLTXJUQVVFYRC-CYBMUJFWSA-N 313.380 2.953 0 40 DFAB COC(=O)[C@@H](C)CN(C)C(=O)c1oc2c(OC)cccc2c1C 69622214 QQGVIBSEAAOVJF-JTQLQIEISA-N 319.357 2.631 0 40 DFAB Cc1nc(C)n(C[C@@H]2CCCCN2c2cnc3ccccc3n2)n1 72276513 QYZSLHHWBMCIMG-HNNXBMFYSA-N 322.416 2.897 0 40 DFAB CCc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)sc1C 72272254 HDGMVAVRABZICX-ZDUSSCGKSA-N 304.419 2.688 0 40 DFAB C[C@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)n1cnc2ccccc21 72255151 KHNJHEBELWGWGE-CJNGLKHVSA-N 323.400 2.695 0 40 DFAB CC(C)c1csc(NC(=O)CNC(=O)c2cccs2)n1 8734231 PHUYCCCOLLLAEG-UHFFFAOYSA-N 309.416 2.697 0 40 DFAB C[C@@H](NCc1nc(-c2ccco2)no1)[C@@H]1COc2ccccc21 97112647 QDODUDGYTATAPB-YPMHNXCESA-N 311.341 2.984 0 40 DFAB Cn1ncc2c1N=C(O)C[C@H]2c1c(Cl)nc2sccn12 71280195 YUSKPYRPXJIZLW-ZCFIWIBFSA-N 307.766 2.906 0 40 DFAB Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)on1 9117985 UWFNYNJZJSHMAA-UHFFFAOYSA-N 305.765 2.599 0 40 DFAB Cc1cccc(NC(=O)c2cnn(CC(C)C)c2C)c1C(N)=O 95980910 PUFPWDGRJFSBLC-UHFFFAOYSA-N 314.389 2.507 0 40 DFAB COc1cccc2cc([C@H](C)N[C@H](C)Cn3cncn3)oc12 95987848 IUOHGJWHSMQMAD-NEPJUHHUSA-N 300.362 2.772 0 40 DFAB O=C(Nc1c(F)cccc1F)c1ccc(-n2ccnn2)cc1 89718707 HCONTODLFFVGET-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCCS1(=O)=O 89878724 SEXGWONGQQLMFT-HZPDHXFCSA-N 315.394 2.505 0 40 DFAB Cn1c(=O)n(C)c2cc(NC(=S)Nc3ccccc3)ccc21 64377350 KNUOFKVQYIHNIG-UHFFFAOYSA-N 312.398 2.686 0 40 DFAB Cc1noc([C@@H](C)OC(=O)[C@H]2CSc3ccccc3O2)n1 78985936 AHTALUMVDIBDOR-LDYMZIIASA-N 306.343 2.536 0 40 DFAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C 409003315 RUPRAXKPTHBBOQ-QLFBSQMISA-N 310.438 2.938 0 40 DFAB CCCCc1nc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)no1 65259470 ROYFOUQNFSYFAX-LBPRGKRZSA-N 315.373 2.941 0 40 DFAB O=S1(=O)c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 306141122 VLSWPVMNBIPRDR-RDJZCZTQSA-N 317.385 2.581 0 40 DFAB NC[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 218059862 RLGBCRXMAXFZDA-OWCLPIDISA-N 321.829 2.855 0 40 DFAB O=C(O)CCNC(=O)c1cc(-c2ccco2)nc2ccccc12 72402004 UHNFOQVINFTXFR-UHFFFAOYSA-N 310.309 2.699 0 40 DFAB O=C(C[C@H]1CCCO1)NCc1nc(-c2cccc(Cl)c2)no1 79362331 FWKTYSVFCBVZTQ-GFCCVEGCSA-N 321.764 2.575 0 40 DFAB CC(C)n1nccc1-c1nnc(NC(=O)c2cccs2)o1 38871475 NVAPZBPTXQFQGR-UHFFFAOYSA-N 303.347 2.828 0 40 DFAB COC(C)(C)C[C@@H](C)NC(=O)N1CCC([C@@H]2CCCO2)CC1 187576896 KLCLZXRNULJBOK-HIFRSBDPSA-N 312.454 2.791 0 40 DFAB FC(F)(F)[C@@H]1CCC[C@H](NC[C@@H]2COC3(CCOCC3)O2)C1 130360855 BTAOOGGRDJMXNW-FRRDWIJNSA-N 323.355 2.619 0 40 DFAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 78584724 CDPJLNYCMMNHRZ-FIKRCHLTSA-N 324.446 2.607 0 40 DFAB CCOC(=O)CNC(=O)Nc1nc(-c2ccc(C)cc2)cs1 71289267 IMWHSYPMDSWZHW-UHFFFAOYSA-N 319.386 2.803 0 40 DFAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H]1CCCO1 224911295 HNYRYGRWWRIMPC-GUYCJALGSA-N 303.402 2.628 0 40 DFAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 225145096 CEABRLRNVDGFHP-UHFFFAOYSA-N 319.382 2.607 0 40 DFAB C[C@@H](Cc1ccccc1)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 132190832 XFWOFIPKDYHXBR-WMLDXEAASA-N 307.459 2.517 0 40 DFAB NC(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)cc1 63475453 RSFQOZZWLIMZMR-UHFFFAOYSA-N 305.337 2.515 0 40 DFAB CCCn1nc(C(=O)N(C2CCCC2)C2CCCC2)ccc1=O 63443028 WQUORPVWKOZABN-UHFFFAOYSA-N 317.433 2.981 0 40 DFAB CC(C)NC(=S)Nc1nc(Cl)cc(N2CCCCC2)n1 225890277 RMFUZWRUDBWOGJ-UHFFFAOYSA-N 313.858 2.815 0 40 DFAB OC[C@H](Cc1ccc(O)cc1)Nc1ccc(C(F)(F)F)cn1 195578614 PEALXLYHOOKVKB-LBPRGKRZSA-N 312.291 2.822 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)OCc1nc2ccccc2s1 22523018 MQMKZKNQNISOPL-UHFFFAOYSA-N 320.414 2.892 0 40 DFAB CC[C@]1(C)CN(C(=O)Nc2cc(C3CCC3)nn2C)CCO1 190102695 PTBRRTMKWSYSPJ-MRXNPFEDSA-N 306.410 2.720 0 40 DFAB Cc1cc(CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)no1 97103524 DRGXDVIZBHEJPL-GASCZTMLSA-N 321.421 2.957 0 40 DFAB C[C@@H](CCc1cccc(F)c1)NC(=O)N(C)C[C@@H]1CCOC1 95408188 OXPDZTIRHPZYFX-ZFWWWQNUSA-N 308.397 2.825 0 40 DFAB Cc1nc2c(s1)CCC[C@H]2CNC(=O)[C@@H]1CC12CCOCC2 583623797 JECXBYVMYGMKAD-STQMWFEESA-N 320.458 2.804 0 40 DFAB C[C@H](Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1 96453249 VUHSOUBDWSKCFL-VIFPVBQESA-N 311.794 2.556 0 40 DFAB c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)c1 96041711 PJINYCBRERJVHR-RCCFBDPRSA-N 314.385 2.623 0 40 DFAB COc1ncnc2c1CN(CCCc1nc3ccccc3o1)CC2 97202096 FCDISYUMYNLUIL-UHFFFAOYSA-N 324.384 2.617 0 40 DFAB Cc1cccc([C@H](NC(=O)N2CCC[C@H]2CO)C(F)(F)F)c1 97100157 VLJFPBMTRANWMD-STQMWFEESA-N 316.323 2.765 0 40 DFAB O=C(NC[C@H](O)c1ccc(Cl)s1)[C@@H]1C[C@H]1c1ccco1 96441154 WELXDEIJPROKNE-BBBLOLIVSA-N 311.790 2.948 0 40 DFAB CNC(=O)COc1cccc(OCc2ccc(F)cc2F)c1 95453584 JMILKHAWSNRKOI-UHFFFAOYSA-N 307.296 2.669 0 40 DFAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247742980 OVOYXPCHHVGQDZ-DJIMGWMZSA-N 320.396 2.867 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)s1 257212014 CBOCZQHDSQMUAW-LLVKDONJSA-N 303.387 2.572 0 40 DFAB CNc1cncc([C@H]2CCCN2C(=O)c2sccc2C)n1 257341490 ZKOKUAAQRNNHMZ-GFCCVEGCSA-N 302.403 2.866 0 40 DFAB c1cc(CN2CCOC[C@@H](Cc3cnccn3)C2)c2cc[nH]c2c1 257208669 BNCXOGMVFRTPML-HNNXBMFYSA-N 322.412 2.649 0 40 DFAB Cc1cc(N2CCC3(CC2)CO[C@@H](Cc2cccnc2)C3)ncn1 257201349 AHHNMSSCGLKYDO-KRWDZBQOSA-N 324.428 2.798 0 40 DFAB c1cc2n(n1)[C@H](COCC1CCOCC1)CN(C1CCCC1)C2 253595765 IHLIOZJHZCLLAS-SFHVURJKSA-N 319.449 2.626 0 40 DFAB O=C(c1c[nH]c2ccccc12)N1CCn2nc(C3CC3)cc2C1 390832149 XQXDYCUDSCXQSV-UHFFFAOYSA-N 306.369 2.898 0 40 DFAB Cc1ccccc1OC[C@@]1(O)CCCN(CC2CCOCC2)C1 585273871 FHCQOAZSERSFHK-LJQANCHMSA-N 319.445 2.627 0 40 DFAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1Cl 31548095 UPCQUSLTUKSXJM-UHFFFAOYSA-N 305.809 2.939 0 40 DFAB Cc1cc(NC(=O)CCn2cccn2)ccc1Br 34959071 ZVSHXQVYURMGOY-UHFFFAOYSA-N 308.179 2.983 0 40 DFAB CC(=O)NCCCCCC(=O)Nc1cccc(-n2ccnc2)c1 55408952 YVLGASFFMMFHJP-UHFFFAOYSA-N 314.389 2.507 0 40 DFAB NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 49394347 RYTLCZLXNMNSHL-DUXPYHPUSA-N 312.822 2.529 0 40 DFAB Clc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1 51958525 XNLUAWKGABXOIR-UHFFFAOYSA-N 308.853 2.884 0 40 DFAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2C)c(O)c1 89543869 VKMSDNMSVVJCSV-UHFFFAOYSA-N 314.341 2.833 0 40 DFAB O=C(CSc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 148020 JQXXSKNVLAOPJO-UHFFFAOYSA-N 319.357 2.963 0 40 DFAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(C)s2)C1=O 1129068 GXUJIGKLLYAXSS-KZSPTFSBSA-N 311.384 2.654 0 40 DFAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 5019200 QUAVWZJBASPHIB-GEEKYZPCSA-N 307.349 2.591 0 40 DFAB O=C(O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl 12428532 JRQLOYFQWOEYRB-UWVGGRQHSA-N 307.733 2.718 0 40 DFAB O=C(NC1CCCCCC1)c1c(O)c2ccccc2[nH]c1=O 13126555 IVNABZUAENFULV-UHFFFAOYSA-N 300.358 2.686 0 40 DFAB Cc1nc2nc(C)c(-c3ccc(Br)cc3)c(N)n2n1 13638076 OWZKXQKFMUCSFM-UHFFFAOYSA-N 318.178 2.753 0 40 DFAB O=C1/C(=C/c2c(F)cccc2F)NC(=S)N1Cc1ccco1 14180649 RILUUAWMTYEMRT-QPEQYQDCSA-N 320.320 2.816 0 40 DFAB O=C(CCc1ccccc1)N1CCC(Nc2ccncn2)CC1 1888856866 OKLXQVPXGSPGRA-UHFFFAOYSA-N 310.401 2.512 0 40 DFAB Fc1ccc(OCCN=c2[nH]ccn3nc(C4CC4)cc23)cc1 1889201602 CCMWPSYHBFIUTE-UHFFFAOYSA-N 312.348 2.659 0 40 DFAB O=C1COc2ccc(C(=O)COc3ccc(F)cc3F)cc2N1 24422260 VCCHWKBQVTXWDN-UHFFFAOYSA-N 319.263 2.557 0 40 DFAB Cc1cc(C)nc(N2CCC[C@@H]2c2[nH]c(=N)n3ccsc23)n1 2037838511 KODVILWYWPFBGW-LLVKDONJSA-N 314.418 2.557 0 40 DFAB CCc1ccc(OC)c(S(=O)(=O)NCc2ccsc2)c1 13725064 SZLYKTQMZGONFT-UHFFFAOYSA-N 311.428 2.798 0 40 DFAB Cc1cc(N2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)ncn1 2298047620 BSEVMJPINLCDPJ-CYBMUJFWSA-N 318.371 2.774 0 40 DFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 101519092 BUZQWPPKRJRADC-IYBDPMFKSA-N 309.369 2.611 0 40 DFAB CCc1noc([C@H](C)N(C)CC(=O)Nc2c(C)cccc2C)n1 40494404 JYUNAEFLJAFRBD-ZDUSSCGKSA-N 316.405 2.880 0 40 DFAB CCCNC(=O)[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 51003358 SNNSHVLURVGEND-CQSZACIVSA-N 324.852 2.957 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC1CCCCC1 40526794 FCEQLUFTVOWHNC-UHFFFAOYSA-N 310.419 2.853 0 40 DFAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H]1c1cccnc1 51341814 BJRKIFKRXYVWAD-QZTJIDSGSA-N 318.380 2.687 0 40 DFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCCC1 32731146 JYORJHZPPHATBA-CQSZACIVSA-N 304.390 2.704 0 40 DFAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(CC)n[nH]1 21588254 ASFKMJUYCOWDFI-JTQLQIEISA-N 320.418 2.885 0 40 DFAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 21892946 SQOYKRRJZQZDLD-AWEZNQCLSA-N 308.337 2.954 0 40 DFAB CCc1c(C)nc2c(-c3ccc(OC)c(OC)c3)cnn2c1O 102802903 HFTRGCLKMQXKMV-UHFFFAOYSA-N 313.357 2.990 0 40 DFAB CN(CCCS(C)(=O)=O)Cc1cccc(Cl)c1Cl 103138778 CYUAIBVHOUFQOP-UHFFFAOYSA-N 310.246 2.860 0 40 DFAB c1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1 537081 MLAMDTLQUFFTKX-UHFFFAOYSA-N 302.297 2.723 0 40 DFAB COc1ccccc1[C@@H](CNC(=O)c1ccoc1)N1CCCC1 22680468 AKUOSZSXMTVCLG-MRXNPFEDSA-N 314.385 2.855 0 40 DFAB CCOc1ccccc1C(=O)Nc1cccnc1-n1cccn1 23170641 SCCFBGBRRTWTMU-UHFFFAOYSA-N 308.341 2.918 0 40 DFAB COC(=O)c1ccc2c(c1)[nH]c1cc(-c3c(C)nnn3C)cnc12 1857793475 RVUSENKHCOWPBB-UHFFFAOYSA-N 321.340 2.607 0 40 DFAB O=C(CSc1ccccn1)Nc1ccc2c(c1)OCCO2 172894 PWJSLQXLZBRLLC-UHFFFAOYSA-N 302.355 2.584 0 40 DFAB CCOc1ccc(C(=O)NCc2ccccn2)cc1OCC 265947 WJHSXEOPLKCONA-UHFFFAOYSA-N 300.358 2.809 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)c2sccc2-n2cnnn2)s1 56176897 FPMBQIUGFVOUBY-SECBINFHSA-N 319.415 2.585 0 40 DFAB Cc1c(Cl)cccc1NC(=O)c1ccnc(-n2cnnc2)c1 6677917 YQRXQORELLSTEI-UHFFFAOYSA-N 313.748 2.876 0 40 DFAB CCc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1 6767797 VEBVHYFEFYJGPE-UHFFFAOYSA-N 310.401 2.894 0 40 DFAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O 7609720 VLISQXAHUPPBIY-AWEZNQCLSA-N 324.380 2.995 0 40 DFAB CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Br)o1 44287148 MROJORMEQNMUMY-BDAKNGLRSA-N 302.168 2.682 0 40 DFAB O=C(O)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 108493742 QLODXDGFKAVEAY-YNEHKIRRSA-N 323.339 2.924 0 40 DFAB COCCN(Cc1ccc(C)o1)C(=O)[C@H]1COc2ccccc21 89656029 YBOMWEPHFLAFTG-INIZCTEOSA-N 315.369 2.739 0 40 DFAB CC(C)CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1 58282701 GNNGEKJXBWNZLJ-UHFFFAOYSA-N 320.408 2.522 0 40 DFAB COc1ccc(C(=O)[C@@H](C)Sc2nncs2)cc1OC 58209651 FDBGKGNCOWBZIQ-MRVPVSSYSA-N 310.400 2.919 0 40 DFAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2ccncc2)n1 44939245 UVVPBQHQTUFDAP-GFCCVEGCSA-N 302.378 2.788 0 40 DFAB CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2cccs2)c1 28040279 HCQYLJHYSPYVHK-SNVBAGLBSA-N 324.427 2.746 0 40 DFAB COc1ccc([C@@H](NC(=O)Nc2ccn(C)n2)C(C)C)cc1 10585916 JZVWXFQFNVXCDP-HNNXBMFYSA-N 302.378 2.948 0 40 DFAB CC(C)Cc1noc(CNc2ccccc2CC(=O)N(C)C)n1 58440012 RIBNNCPWYJLBSO-UHFFFAOYSA-N 316.405 2.511 0 40 DFAB Cc1ccc(C)n1C1CCN(c2cc(Cl)nc(N)n2)CC1 58419304 QBXSSPAKBXGTQG-UHFFFAOYSA-N 305.813 2.972 0 40 DFAB CC(C)C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3288876 VHVNWLUOKQPBEK-UHFFFAOYSA-N 324.686 2.892 0 40 DFAB CC[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C)on1 28621618 LCEXVTOFLFFNNR-LBPRGKRZSA-N 317.345 2.583 0 40 DFAB O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H]1c1ccccc1 45787540 LUBKEOHTSHTNOZ-QGZVFWFLSA-N 323.396 2.505 0 40 DFAB O=C1C=C(Nc2ccccc2Cl)C(=O)N1Cc1ccco1 11613102 BNECSMNVJVEOEP-UHFFFAOYSA-N 302.717 2.798 0 40 DFAB Cc1cc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)no1 2779313 GBIKVLBXVVVQLS-UHFFFAOYSA-N 304.684 2.718 0 40 DFAB CCOC(=O)c1sc(NCCCOC)nc1C(F)(F)F 12394364 OWYZUADQFRIATQ-UHFFFAOYSA-N 312.313 2.787 0 40 DFAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 12653436 ZFKZFUGZBQVQQU-CYBMUJFWSA-N 306.369 2.990 0 40 DFAB CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)C)C1 48290170 KUJJQFSVGKZFJA-DZGCQCFKSA-N 323.462 2.755 0 40 DFAB CS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccsc1 24888278 NGUIWTJPOBCECJ-VOTSOKGWSA-N 322.411 2.772 0 40 DFAB Cc1cccc(-c2nnc(S[C@@H]3CCCCNC3=O)o2)c1 12945076 NCLQVOADLLCKOA-GFCCVEGCSA-N 303.387 2.806 0 40 DFAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2cc(C)on2)C3)c1 306138701 SESMLKRHRPRJBS-UHFFFAOYSA-N 322.368 2.811 0 40 DFAB C[C@H](NC(=O)COc1cccc(C(=O)O)c1)c1cccs1 13419182 BUVTZKFMWUHFCM-JTQLQIEISA-N 305.355 2.703 0 40 DFAB CNC(=O)CC1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 93587986 VPNZUYSDDJDGRN-UHFFFAOYSA-N 304.434 2.660 0 40 DFAB O=C(NCCCSc1ccccc1)c1ccc2[nH]nnc2c1 9378219 HKQFEFFDNANXMK-UHFFFAOYSA-N 312.398 2.870 0 40 DFAB CN(Cc1nc2ccccc2s1)[C@H](C(N)=O)c1ccccc1 14073759 BTQHEISVLQXOBZ-INIZCTEOSA-N 311.410 2.955 0 40 DFAB C[C@H]1CCCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 14157595 NOZFVNPCCAVEEQ-NSHDSACASA-N 316.384 2.568 0 40 DFAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1 4690477 XQDJWALCPGEBTQ-GHXNOFRVSA-N 321.354 2.595 0 40 DFAB C[C@@H](NC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1 4825168 CDYPJBQJXUGCQO-GFCCVEGCSA-N 323.352 2.597 0 40 DFAB COC(=O)c1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 6811442 SFTZFFHJSQWSRV-UHFFFAOYSA-N 323.304 2.832 0 40 DFAB Cc1n[nH]c(-c2ccc(NC(=O)CC[C@@H]3CCCOC3)cc2)n1 96449525 WGDRLCXBEOCOTE-ZDUSSCGKSA-N 314.389 2.925 0 40 DFAB COc1ccc(SCC(=O)Nc2c(C)nn(C)c2C)cc1 7072335 JFCSHZHHMRJJFM-UHFFFAOYSA-N 305.403 2.776 0 40 DFAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)cc1 7534487 ZJERTIHWJLNDJJ-MRVPVSSYSA-N 308.432 2.802 0 40 DFAB Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C(C)C)n1 16103077 ATYKOTHBTVOMGO-UHFFFAOYSA-N 324.428 2.871 0 40 DFAB COc1cccc(C(=O)COc2ccc(Cl)cc2C(N)=O)c1 16115288 GIEQNHCAICSXNI-UHFFFAOYSA-N 319.744 2.709 0 40 DFAB O=C(O)c1csc(CNC(=O)c2coc3ccccc23)n1 90932416 CCIXLUDZRVPTCG-UHFFFAOYSA-N 302.311 2.518 0 40 DFAB Cc1cc(NC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)on1 71909161 PCVAFYWFTCGQOM-LBPRGKRZSA-N 324.331 2.686 0 40 DFAB C[C@H](O)CN1CCC(CNCc2cc3ccccc3o2)CC1 69349820 USJAAJPEMBGKHB-AWEZNQCLSA-N 302.418 2.615 0 40 DFAB O=C(CSc1nnnn1C1CC1)c1cc2ccccc2o1 8315956 OZPNECMPEPPQCK-UHFFFAOYSA-N 300.343 2.729 0 40 DFAB Cc1noc(C)c1NC(=O)N(C)CCOc1ccccc1F 69615443 XLTIXXZLUZGLAX-UHFFFAOYSA-N 307.325 2.973 0 40 DFAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@H]1Cn1cccn1 69771175 AJFCGYRWZGJEFF-MRXNPFEDSA-N 322.368 2.843 0 40 DFAB Brc1cccc2c(NCCn3cccn3)ncnc12 69820042 YKWBUGNXPHWSRX-UHFFFAOYSA-N 318.178 2.701 0 40 DFAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 69817670 PSVMOKVGKCLMDG-MRXNPFEDSA-N 317.433 2.569 0 40 DFAB CN(C)c1cccc([C@@H]2CCCN2c2cc(C(N)=O)ccn2)c1 95964183 MIHBKCODUSKYBD-INIZCTEOSA-N 310.401 2.588 0 40 DFAB Cc1nnc(CN[C@H](c2nc(-c3ccccc3)no2)C(C)C)o1 97034220 NFROGHUSAZCTJH-AWEZNQCLSA-N 313.361 2.915 0 40 DFAB CC[C@H](C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC 70982762 BBRLADSNTKUMDP-IINYFYTJSA-N 303.362 2.638 0 40 DFAB CCc1nc(Oc2cncc(C(N)=O)c2)c2ccsc2n1 97047894 PWTKAAWWWMQVKN-UHFFFAOYSA-N 300.343 2.540 0 40 DFAB COc1cc(CC(=O)NCCc2nc3ccccc3[nH]2)ccc1C 9115451 GUNMGAGYNSJUTL-UHFFFAOYSA-N 323.396 2.781 0 40 DFAB CC(C)(NC(=O)CCc1ccc(C(=O)O)cc1)c1nccs1 95969696 CSQCYLCLHHJVAR-UHFFFAOYSA-N 318.398 2.825 0 40 DFAB CC(=O)Nc1ccccc1CN1CCC[C@@H](C2(C)OCCO2)C1 97108681 ZUAVEXLSPQWOIY-MRXNPFEDSA-N 318.417 2.620 0 40 DFAB CCCc1ccc(S(=O)(=O)N[C@@H](C)CN(CC)CC)cc1 97104250 UIZQOMNLZPBXJI-AWEZNQCLSA-N 312.479 2.648 0 40 DFAB C(CN1CCOC2(CCCC2)C1)CN1CCOC2(CCCC2)C1 95970034 AKRIXJYGYOJDCK-UHFFFAOYSA-N 322.493 2.667 0 40 DFAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cncc(O)c1 95979835 NSBDQLJCKSTULT-ONEGZZNKSA-N 314.326 2.654 0 40 DFAB CC(=O)c1cccc(NC(=O)CCCc2nnc3ccccn23)c1 72402436 QVYYHSSVUZUMQZ-UHFFFAOYSA-N 322.368 2.893 0 40 DFAB CCc1noc([C@@H](C)Nc2ccc(CN3CCOC3=O)cc2)n1 89290042 XWDJBXSDMYRRCY-LLVKDONJSA-N 316.361 2.757 0 40 DFAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c(=O)[nH]1 75119361 AAPBQEHKBZOBNU-HNNXBMFYSA-N 300.333 2.800 0 40 DFAB CC[C@H](C)[C@@H](C(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 73119441 ZETNDRAHYPLRLO-MAUKXSAKSA-N 316.445 2.897 0 40 DFAB C/C=C/C[S@](=O)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 95417648 WNCXFINUHQMGKP-QNRRKLAXSA-N 321.442 2.684 0 40 DFAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCCc1ccccn1 89941196 FPCYSBXMLKRJHA-OAHLLOKOSA-N 324.428 2.674 0 40 DFAB CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 89943579 LGHVYZXBQIVUFX-DYVFJYSZSA-N 313.401 2.880 0 40 DFAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(COC)cc1 89948910 XFQMVHWMBWYCOD-ROUUACIJSA-N 304.434 2.570 0 40 DFAB O=C(NCCc1nc(C2CCCCC2)cs1)c1cnccn1 75610159 XMDWCFRHCXLGOC-UHFFFAOYSA-N 316.430 2.953 0 40 DFAB COc1cccc(C(=O)NCCCN2CCC(C)CC2)c1OC 28067955 JSGORCPMOLXVJG-UHFFFAOYSA-N 320.433 2.556 0 40 DFAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241845 CSJXRXXHQHYOOM-GOEBONIOSA-N 306.381 2.604 0 40 DFAB CNC(=O)c1cccc(CCNc2ncnc3ccc(F)cc23)c1 77229342 KNVGMNUXSBQRSU-UHFFFAOYSA-N 324.359 2.783 0 40 DFAB Cc1cccc(OC2CCN(C(=O)c3coc(C)n3)CC2)c1 72368588 ZWYGVURIZLXANC-UHFFFAOYSA-N 300.358 2.975 0 40 DFAB C[C@H](NC[C@@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2 185778701 LVURZCHBZZCZNA-RZVNPHJZSA-N 307.478 2.970 0 40 DFAB CCC(C)(C)NC(=O)[C@H](C)[S@@](=O)Cc1cccc(OC)c1 78556277 PYIHDAOWGPHFNW-LAJNKCICSA-N 311.447 2.637 0 40 DFAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccccc1C 44947821 IFKJNLOKMNCZOK-UHFFFAOYSA-N 319.426 2.965 0 40 DFAB O=C(Cc1c[nH]c2ccccc12)Nc1cnc(N2CCCC2)nc1 224247896 PRRFMTMUUDEBAS-UHFFFAOYSA-N 321.384 2.739 0 40 DFAB CN(Cc1ccccc1)C(=O)Cn1ccc(=O)c2ccccc21 225719981 JRFMZJONCFWRIJ-UHFFFAOYSA-N 306.365 2.660 0 40 DFAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)NCc1ccccc1F 97377283 IVUDBPFXOQRCCW-LBPRGKRZSA-N 318.396 2.894 0 40 DFAB O=c1[nH]c2c(cnn2-c2ccccc2F)cc1Br 95096590 PLZQKSQAOSNSNV-UHFFFAOYSA-N 308.110 2.615 0 40 DFAB CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[C@H]2CO)c(F)c1 96434369 RVZLXMLLHUUHHN-FZMZJTMJSA-N 310.369 2.895 0 40 DFAB C[C@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@@H]1C(=O)O 581368218 TYKARCAYVOYOHO-XKGSQUFQSA-N 318.364 2.563 0 40 DFAB Cc1nc([C@@H]2COCCN2C(=O)Cc2ccsc2)cs1 96218433 XHXMRDWFNSXSGT-ZDUSSCGKSA-N 308.428 2.656 0 40 DFAB C[S@](=O)c1cccc(NC(=O)NCC2(O)CCCCCC2)c1 96411851 MIODUGITIWZVCN-JOCHJYFZSA-N 324.446 2.631 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc21)c1ccccc1SCCO 96444612 YFVRXLBYTXRQIY-AWEZNQCLSA-N 313.422 2.841 0 40 DFAB Cn1ncc2c1[C@H](COCC1CC1)CN(Cc1ccco1)C2 96060107 FFXLUSPSERHQIM-HNNXBMFYSA-N 301.390 2.539 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N(C)Cc3ccccc3)n2)cc1 256047958 PQWGCSCVKYYFOH-UHFFFAOYSA-N 322.368 2.910 0 40 DFAB Cc1cnc(C2(C)CCN(C(=O)Cc3cccnc3)CC2)s1 257295168 QXGDPUAQPXUQAO-UHFFFAOYSA-N 315.442 2.969 0 40 DFAB CC(C)NC1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 65494028 DNDQOYUNPPJWPP-LBPRGKRZSA-N 324.856 2.524 0 40 DFAB Cc1cc(C[C@H]2COCCN(CCc3ccccc3)C2)ncn1 257219644 DHOJZCZBMTYQKC-GOSISDBHSA-N 311.429 2.519 0 40 DFAB CC(C)CC(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575402306 AACDVVHAELWZJX-HNNXBMFYSA-N 320.458 2.731 0 40 DFAB Cc1ccn2ncnc2c1NC(=O)N(Cc1ccncc1)C1CC1 585140063 SHQXJCHDNMXCBD-UHFFFAOYSA-N 322.372 2.629 0 40 DFAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1Cl 152749796 GWJFHPGVNIRBPK-GFCCVEGCSA-N 319.767 2.883 0 40 DFAB Cc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)no1 585139951 KYZGXDFXINUTLI-ZDUSSCGKSA-N 316.357 2.780 0 40 DFAB OCc1cc2ccc(I)cc2nc1Cl 685937102 JACWARNEJRNFAF-UHFFFAOYSA-N 319.529 2.985 0 40 DFAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 46169554 IODDSMQMIHEQKG-UHFFFAOYSA-N 321.283 2.721 0 40 DFAB Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 19986327 FIUULVYJMGABKM-UHFFFAOYSA-N 308.790 2.674 0 40 DFAB Cc1nn(C)c(C)c1OCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 79101835 DAXYRZLVOVHTCZ-UGFHNGPFSA-N 305.422 2.595 0 40 DFAB O=C(CCOc1cc(F)ccc1F)NCc1cccc(O)c1 97107317 WDQCLFCTFHFUCT-UHFFFAOYSA-N 307.296 2.756 0 40 DFAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 5817151 RXAMTBHFNYLAFK-UHFFFAOYSA-N 314.794 2.897 0 40 DFAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 5002906 LSIUGJCAKOZWGF-HNNXBMFYSA-N 318.373 2.666 0 40 DFAB COc1ccc(CN2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)cc1 12363337 FISVOPPNAGRPSW-IYBDPMFKSA-N 318.461 2.769 0 40 DFAB CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 14249813 VIGWATZAVUCABW-CYBMUJFWSA-N 321.446 2.754 0 40 DFAB O=C(CCNC(=O)c1ccccc1Cl)NCc1cccs1 5617324 ZAHHHMGSZZWBHN-UHFFFAOYSA-N 322.817 2.838 0 40 DFAB C[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 12049507 GQZJCUOABUVDPA-IUODEOHRSA-N 314.410 2.510 0 40 DFAB CCOc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1OC 24032156 OZHIGANHSDCNQH-UHFFFAOYSA-N 315.373 2.807 0 40 DFAB Cc1cc(C)nc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087127722 QJOGZVSRPGKDSL-AWEZNQCLSA-N 304.438 2.567 0 40 DFAB Cc1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1C 12443030 GZNCBLUUOJWTCK-UHFFFAOYSA-N 311.345 2.648 0 40 DFAB CN(C)[C@H](CNC(=O)NCCc1ccccc1)c1ccsc1 22766933 OKRFKFAACUCOTA-MRXNPFEDSA-N 317.458 2.893 0 40 DFAB CN(c1ncc(Cl)cn1)C1CCN(Cc2cncs2)CC1 2086860407 PJPRQXUOFOZGDL-UHFFFAOYSA-N 323.853 2.687 0 40 DFAB c1cnc(OC[C@H]2CCCN(c3nc(C4CC4)ns3)C2)cn1 2298183897 WKDGLXRXFQWTMT-NSHDSACASA-N 317.418 2.501 0 40 DFAB CCCCn1nnc(NC(=O)C2(c3ccccc3)CCCC2)n1 30822877 WCLGLMLLTYJPEU-UHFFFAOYSA-N 313.405 2.924 0 40 DFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 31157371 NHXNAKYWWCKCEM-OAHLLOKOSA-N 314.341 2.747 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(Cl)nn2)C1 40434749 YXVVMJBMQSWDIC-SNVBAGLBSA-N 313.785 2.908 0 40 DFAB CN(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 40461239 KVLYRCMIRPKXMB-NSHDSACASA-N 308.230 2.612 0 40 DFAB CC1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CC1 21003341 CIRGJVGBEZFORH-LBPRGKRZSA-N 308.809 2.717 0 40 DFAB CC1(C)CCc2ccccc2[C@@H]1NCc1cc(=O)n2nccc2[nH]1 102157690 LMOIEYKSBPNJIL-SFHVURJKSA-N 322.412 2.826 0 40 DFAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 41326103 DNQIUIGAIYJYJZ-CYBMUJFWSA-N 315.421 2.982 0 40 DFAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCC[C@@H]1c1ccccc1 22551551 UWFIEYIXCUZXPT-MRXNPFEDSA-N 319.368 2.844 0 40 DFAB Cc1ccc(-c2noc([C@H](C)N3CCC[C@H](O)C3)n2)cc1F 42286692 MWVUPNLGYHWFGI-AAEUAGOBSA-N 305.353 2.702 0 40 DFAB CCN(CC)c1nc2nonc2nc1Nc1ccccc1F 282650 CJMYZEWYVRHODH-UHFFFAOYSA-N 302.313 2.742 0 40 DFAB Cc1nc(NC(=O)C2CC2)sc1C(=O)NC1CCCCC1 412745 NZCIQXYBXKGMNX-UHFFFAOYSA-N 307.419 2.863 0 40 DFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2[nH]cnc2c1 12535088 SHIHCTKBYWSWOS-UHFFFAOYSA-N 323.352 2.606 0 40 DFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccs2)c1 813910 IOBFSPKTUHYEGH-UHFFFAOYSA-N 311.384 2.644 0 40 DFAB CC[C@@H](C(=O)Nc1cc(C)on1)[S@](=O)Cc1ccccc1C 24772483 OWKZFFBOPWOKNR-FPTDNZKUSA-N 320.414 2.957 0 40 DFAB CCc1cc(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)n(C)n1 78988532 KSGYXZJVWZTELI-HOCLYGCPSA-N 314.389 2.634 0 40 DFAB COc1ccccc1CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 78902480 CBASFBPKCZLEKU-OAHLLOKOSA-N 313.401 2.675 0 40 DFAB CSc1ncccc1C(=O)NCCN(C)c1ccccc1 12565380 UBNJDZWRRZLQTL-UHFFFAOYSA-N 301.415 2.670 0 40 DFAB Nc1cc(C(=O)OCC(=O)Nc2cccc(F)c2)ccc1Cl 3451260 SZFJRDQTTGRHOB-UHFFFAOYSA-N 322.723 2.857 0 40 DFAB O=C(Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)CCC2 4549146 BPRJQAQVNHYGNZ-UHFFFAOYSA-N 304.353 2.712 0 40 DFAB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)N(C)C3=O)cc1 6747814 DIPJEOLEPCPIAE-QGZVFWFLSA-N 320.352 2.655 0 40 DFAB O=C(Nc1nc2ccccc2[nH]1)c1cncc(Br)c1 12537542 KHIASZYNAHQLBJ-UHFFFAOYSA-N 317.146 2.973 0 40 DFAB Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C[C@@H](c4ccccc4)[C@H]3C2)no1 104285844 ZUKHTAIFRSERHP-QZCUMHFISA-N 322.364 2.912 0 40 DFAB Cc1ccc(CNC(=O)NC[C@@H](O)c2ccccc2F)cc1F 27350837 LQSXQOXITUHKJI-MRXNPFEDSA-N 320.339 2.806 0 40 DFAB CCOC(=O)C1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 52961425 DLOZZGZDGVZRDZ-UHFFFAOYSA-N 314.385 2.626 0 40 DFAB Cc1nccc(C(=O)NCCCCOc2ccc(F)cc2)n1 58109163 ZTDVKUKIIDCCDQ-UHFFFAOYSA-N 303.337 2.513 0 40 DFAB CCNC(=O)C1(NC(=O)/C=C/c2ccsc2)CCCCC1 58225805 SBSKTGVOSGFPTN-VOTSOKGWSA-N 306.431 2.717 0 40 DFAB COc1ccc(CCC(=O)NC[C@H]2CCCN(C(C)C)C2)cc1 58201675 VXMKUQZINNZGRL-QGZVFWFLSA-N 318.461 2.864 0 40 DFAB Cc1ccc([C@@H](C)NC(=O)CNC(=O)OCc2ccccc2)o1 58289929 LGUOOTBWQWCUFO-CYBMUJFWSA-N 316.357 2.692 0 40 DFAB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@H]2c2ccccc2)no1 104285839 ZUKHTAIFRSERHP-QZLJAVCYSA-N 322.364 2.912 0 40 DFAB CCCc1noc(CN(C)Cc2cnn(-c3ccccc3)c2)n1 58311860 SXNAKDHSJXEOQP-UHFFFAOYSA-N 311.389 2.840 0 40 DFAB Cc1noc(CCNc2ncnc3sc4c(c23)CCCC4)n1 58415371 LLROJGKQGIXAJG-UHFFFAOYSA-N 315.402 2.916 0 40 DFAB COc1cccnc1NC(=O)c1nn(-c2ccccc2)cc1OC 58424750 BOZNTZLOIGFZHS-UHFFFAOYSA-N 324.340 2.537 0 40 DFAB Cc1noc(CCCC(=O)N2CCCc3cc(F)ccc32)n1 58457530 CDUCIHZLVGXQOF-UHFFFAOYSA-N 303.337 2.819 0 40 DFAB CC1CCN(C(=O)COC(=O)c2c(F)cccc2Cl)CC1 3291145 ISDJHDKCWGVKLU-UHFFFAOYSA-N 313.756 2.894 0 40 DFAB CSc1nnc(C)c(/C=C/NOCc2cccc(F)c2)n1 100381410 DFMPEQXNOYJZNC-VOTSOKGWSA-N 306.366 2.733 0 40 DFAB Cc1csc(CN2CCN(C(=O)c3cccc(F)c3)CC2)n1 21686990 GBHYVGGVNVWHPF-UHFFFAOYSA-N 319.405 2.549 0 40 DFAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccccc21 2656100 NGCQBEKMPUPIMO-UHFFFAOYSA-N 310.353 2.643 0 40 DFAB Cc1nn(CC(=O)N2[C@H](C)CCC[C@H]2C)cc1Br 2780402 UGAXJRNBMCVUQF-NXEZZACHSA-N 314.227 2.744 0 40 DFAB Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 60879188 SLZMKEUAZGLVIS-UHFFFAOYSA-N 302.761 2.903 0 40 DFAB Cc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1 3474901 RILACCMRQLSQEE-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CCN(C(=O)COC(=O)c1ccc(O)cc1)C1CCCCC1 3508086 YAQXLGOQJUISCB-UHFFFAOYSA-N 305.374 2.730 0 40 DFAB Cc1noc(NC(=O)CSc2c(F)cc(F)cc2F)n1 48989480 PZTZMAPCEYGTCK-UHFFFAOYSA-N 303.265 2.526 0 40 DFAB CCn1ccc(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)n1 13322155 YDJMXQMRRHSXDV-HNNXBMFYSA-N 312.417 2.562 0 40 DFAB Cc1nc2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2nc1C 71287167 GZRNXWXIRGVGBZ-ZIAGYGMSSA-N 313.357 2.542 0 40 DFAB Cc1noc(C)c1CC(=O)N1CC[C@H](n2ncc3ccccc32)C1 96004512 GRDCUDPLELKNRG-HNNXBMFYSA-N 324.384 2.657 0 40 DFAB CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 65538341 FHKYQOFFQUIRDT-CQDKDKBSSA-N 320.820 2.859 0 40 DFAB O=c1c(Cl)c(Cl)cnn1CN1CCc2sccc2C1 14139612 VTCXXJNBVGPUFC-UHFFFAOYSA-N 316.213 2.627 0 40 DFAB C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 22540545 RXIJMJNQJIPESU-QWHCGFSZSA-N 314.360 2.880 0 40 DFAB O=C(NCc1ccco1)c1ccc(OCC(F)(F)F)nc1 14232752 JCQBQNRTTPMFPI-UHFFFAOYSA-N 300.236 2.546 0 40 DFAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccco2)c1C 9384616 IFKVYOBSAZLZRA-UHFFFAOYSA-N 304.346 2.673 0 40 DFAB Cc1cc(NC(=O)COc2c(F)c(F)cc(F)c2F)no1 6865364 GQSHBDASMQLTNP-UHFFFAOYSA-N 304.199 2.557 0 40 DFAB CCN1CCCC[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 67048706 JKRNDQGKFJBPDZ-KBPBESRZSA-N 307.463 2.724 0 40 DFAB COC(=O)CSc1nc(-c2ccccc2)nc(C)c1[C@H](C)O 9303125 FHGUMHLKTABKIU-NSHDSACASA-N 318.398 2.770 0 40 DFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC(c2cccc(F)c2)=NO1 67515074 BPTYDCYBJWIUCL-JQHSSLGASA-N 324.355 2.991 0 40 DFAB C[C@H]1CCc2n[nH]c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C1 9421350 GYIWAFSELSLXHJ-VIFPVBQESA-N 324.340 2.980 0 40 DFAB COC(=O)c1sc(NC(=O)c2cc(F)cc(F)c2)nc1C 7705962 SWBICARLWHZQRC-UHFFFAOYSA-N 312.297 2.769 0 40 DFAB COC(=O)N1CCC(N[C@@H](C)c2ccccc2N(C)C)CC1 93943047 HTJZFCVYIDYUFI-ZDUSSCGKSA-N 305.422 2.634 0 40 DFAB CC(C)=CCN1CCC(NC(=O)N[C@@H](C)C2CCOCC2)CC1 96474839 LVJXRWSGCVIDDS-HNNXBMFYSA-N 323.481 2.531 0 40 DFAB Cc1nnc(CSCc2csc(-c3ncccn3)n2)o1 96467793 SSSCQCIEUHQHGH-UHFFFAOYSA-N 305.388 2.725 0 40 DFAB Cc1noc(CCNC(=O)c2cc3c(ccc4ccccc43)[nH]2)n1 69349537 WETHVQGWGUXOMK-UHFFFAOYSA-N 320.352 2.985 0 40 DFAB Cc1nnc2n1CCN(Cc1ccccc1Oc1cccnc1)C2 69490443 ZOJDLBSYUJRGPM-UHFFFAOYSA-N 321.384 2.790 0 40 DFAB Cc1ccc(-n2nnc(C(=O)O)c2-c2ccc3c(c2)OCO3)cc1 82237895 SZKUASDJYMCBEW-UHFFFAOYSA-N 323.308 2.670 0 40 DFAB CC[C@@H]1CCC[C@H](NC(=O)NCc2c(C)nn(C)c2OC)C1 96503093 DZWHCAKTAHVNAI-OLZOCXBDSA-N 308.426 2.505 0 40 DFAB C[C@H](Cn1cncn1)NC(=O)N1CCCC2(CCCCCC2)C1 98014472 IFJIFZFAZMDOPN-OAHLLOKOSA-N 319.453 2.813 0 40 DFAB Cc1sc(NS(C)(=O)=O)nc1-c1ccc2c(c1)CCCO2 97098405 PHEFMBATRCBFQZ-UHFFFAOYSA-N 324.427 2.815 0 40 DFAB Cc1nc([C@@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)no1 72231931 WLGZIGQKJIUQEL-GFCCVEGCSA-N 318.377 2.818 0 40 DFAB O=C(NC1CC1)C1CCN(c2ccc3ccc(F)cc3n2)CC1 84383495 ZIDQOTDWEMWCEB-UHFFFAOYSA-N 313.376 2.869 0 40 DFAB C[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1F)N1[C@H](C)CC[C@H]1C 95962510 VSYJNGNCOOSWNK-TUVASFSCSA-N 322.424 2.971 0 40 DFAB CCSCCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 95395840 TXNKVXVLJJOEJY-GDBMZVCRSA-N 321.442 2.892 0 40 DFAB CCc1cnc(CNC(=O)NC[C@H]2CCO[C@@H]2C(C)C)s1 95408208 VVUZFJZGKSGYNY-BXUZGUMPSA-N 311.451 2.566 0 40 DFAB Cc1ccccc1C[C@@H](C)NC[C@@H](c1cnn(C)c1)N(C)C 95422638 KWVUHPPSLVVUAX-QAPCUYQASA-N 300.450 2.552 0 40 DFAB CN1C(=O)C[C@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)cc1 95440524 FSULQBPVOMNTFJ-DZGCQCFKSA-N 318.373 2.589 0 40 DFAB COc1cccc(-c2noc(NCC3([C@@H](O)C(C)C)CC3)n2)c1 95463017 ICJJRUCQBRUPKN-AWEZNQCLSA-N 317.389 2.954 0 40 DFAB CC(=O)N1CC[C@@H](C(=O)OCCc2ccc3ccccc3c2)C1 95964200 URHQQXZSYBBQRL-GOSISDBHSA-N 311.381 2.794 0 40 DFAB Cc1cccc([C@@H](NCC(=O)NC2CCOCC2)C(C)(C)C)c1 95985703 JTYLDDVGJJBTIK-GOSISDBHSA-N 318.461 2.967 0 40 DFAB COc1ccc2nc(NC(=O)NC[C@@H]3CCCO3)sc2c1 74753636 BLXKFUKLTHWDKY-JTQLQIEISA-N 307.375 2.605 0 40 DFAB CCn1cc(C(=O)NCc2ccccc2-n2nc(C)cc2C)cn1 89305823 LJDRRFLPQKFBQW-UHFFFAOYSA-N 323.400 2.636 0 40 DFAB CC(C)(C)OC(=O)C1(NC(=O)/C=C/c2ccncc2)CCCC1 75140685 JRJLEWJYGNQRKS-VOTSOKGWSA-N 316.401 2.866 0 40 DFAB CO[C@H]1CCC[C@@H]1OC(=O)c1cccc(-c2nnc(C)o2)c1 89736410 FBQKPBNKTMZCTR-KBPBESRZSA-N 302.330 2.769 0 40 DFAB O=C1CN(C(=O)c2cccc(-c3ccoc3)c2)[C@H]2CCCC[C@@H]2N1 89852015 VHJPZDGMDPQZBQ-IRXDYDNUSA-N 324.380 2.830 0 40 DFAB CCCCNC(=O)c1ccc(CNC(=O)NC2CC=CC2)cc1 89954763 QXRZTRXEIXMPBT-UHFFFAOYSA-N 315.417 2.734 0 40 DFAB O=C(COc1ccccc1Cl)Nc1ccc(O)c(C(=O)O)c1 20144567 HAKYKSRAJNXRPH-UHFFFAOYSA-N 321.716 2.761 0 40 DFAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](C)O[C@H](C)C1 35828036 OFQHJXSFOIKZMA-LBTNJELSSA-N 317.429 2.969 0 40 DFAB CC(=O)N1CCC[C@H](c2nccnc2Nc2ncc(C)s2)C1 72365554 SCERNSAWERSWTC-LBPRGKRZSA-N 317.418 2.711 0 40 DFAB O=C(c1cnccn1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 72368321 QNQVEBAHDGMQEA-CQSZACIVSA-N 318.380 2.730 0 40 DFAB CCn1ncc2ccc(NC(=O)[C@H]3CNCc4ccccc43)cc21 565477746 QRLINSSTQNHHAA-KRWDZBQOSA-N 320.396 2.882 0 40 DFAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 71195547 CTVBSPYTXYQDAB-CQSZACIVSA-N 312.348 2.848 0 40 DFAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 41123436 MDYNTNIFSXIYLS-QWHCGFSZSA-N 307.394 2.501 0 40 DFAB COC(=O)c1ccc(CN2C[C@@H](C)C(=O)Nc3ccccc32)o1 80739820 MIXRSZIASYTHSJ-LLVKDONJSA-N 314.341 2.661 0 40 DFAB COc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2F)cc1 225444241 GDJMKOGYYNPDEZ-ZDUSSCGKSA-N 317.360 2.961 0 40 DFAB Cc1nn(C)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(O)=N2 49546844 WAJDGPBBCIDNDR-AWEZNQCLSA-N 317.370 2.881 0 40 DFAB Cc1ncccc1NC(=O)[C@@H](C)Oc1ccn(-c2ccccc2)n1 226852689 OBWHQQFAAYJGSY-CQSZACIVSA-N 322.368 2.982 0 40 DFAB CC(C)[C@H](C)CC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 96417183 UCHDVSXHOYHHPS-TZMCWYRMSA-N 316.401 2.513 0 40 DFAB CCOC(=O)c1csc(N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)n1 96451947 NLSPONHHQDKJSC-NXEZZACHSA-N 320.370 2.679 0 40 DFAB CC(=O)NC[C@@H](OC(=O)c1ccc(Cl)cn1)c1ccccc1 96453125 SBTJGZKBYQONHM-OAHLLOKOSA-N 318.760 2.769 0 40 DFAB COCCCn1ccc(NC(=O)N2CCC[C@H]2C2CCC2)n1 96413431 YZBZCURIPQTGPT-AWEZNQCLSA-N 306.410 2.716 0 40 DFAB C[C@@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C[C@@H]1C(=O)O 581368219 TYKARCAYVOYOHO-YYJSSNLHSA-N 318.364 2.563 0 40 DFAB CN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccc(F)cc1 96181888 BMJSYAHYWSOLNG-NVXWUHKLSA-N 318.392 2.794 0 40 DFAB O=C([C@@H]1CCCO1)N1CCN(CC(F)(F)F)c2ccccc21 96445097 UCDXDQBVRHMLEO-ZDUSSCGKSA-N 314.307 2.581 0 40 DFAB O=C(NC1CCN(C2CCCC2)CC1)c1c(O)cc(F)cc1F 96452149 HHLKPNSATMEGSP-UHFFFAOYSA-N 324.371 2.807 0 40 DFAB Cc1nc2c(cc1C(=O)O)CCN(Cc1ccsc1)CC2 96189557 BOUKMXRWMIGUPN-UHFFFAOYSA-N 302.399 2.751 0 40 DFAB CCOC(=O)c1cc(NC(=O)N2CCC[C@H]2C2CCC2)c[nH]1 97228420 KKAOPBYGBCXNIH-AWEZNQCLSA-N 305.378 2.988 0 40 DFAB CCc1ccc([C@H](COC)NC(=O)Nc2nnc(CC)s2)o1 96433730 CNRSZCNYEOGQCB-JTQLQIEISA-N 324.406 2.765 0 40 DFAB N[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(F)(F)F)C1 95619033 YDSTZCLONHXDOY-NEPJUHHUSA-N 302.296 2.677 0 40 DFAB Cc1cccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1Cl 96452258 DMKRKMOPTFZODB-JTQLQIEISA-N 307.781 2.533 0 40 DFAB OC[C@H](CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)Cc1ccccn1 245339272 RQFIZQYPXNZHJP-CWEKIYPSSA-N 300.446 2.647 0 40 DFAB Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1S(C)(=O)=O 253369637 FXYLXYRYRFXKQT-NUEKZKHPSA-N 321.442 2.768 0 40 DFAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1 257205427 AYZDIBYVZVICFM-CQSZACIVSA-N 323.400 2.543 0 40 DFAB Cc1cccc(N2CCC[C@@H](NC(=O)Cc3cccs3)C2)n1 257319672 VTOKWIPKVGVTMW-CQSZACIVSA-N 315.442 2.779 0 40 DFAB CC(=O)N1CCC(c2cncc(Nc3cccc(C)n3)n2)CC1 257263349 LPLJTKGQWSFHSU-UHFFFAOYSA-N 311.389 2.650 0 40 DFAB COc1ccc([C@@H]2CN(Cc3cncs3)CCN2C)cc1 257257154 KOGYACASSLEAPW-INIZCTEOSA-N 303.431 2.640 0 40 DFAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3oc(C)cc3c2)[C@H]1O 257280063 OJHGPDOUTQNONM-DJIMGWMZSA-N 317.385 2.742 0 40 DFAB O=C(Nc1cccc(CCO)c1)c1n[nH]c2c1CCCCCC2 257231311 GGDFAIODYWCZJL-UHFFFAOYSA-N 313.401 2.856 0 40 DFAB CCOC[C@H]1CCN(C)C2(C1)CN(Cc1ccc(F)cc1)C2 585102650 DWWFPLPDOAZGBN-INIZCTEOSA-N 306.425 2.758 0 40 DFAB Oc1nc(-c2ccncc2)nc2c1CN(Cc1ccsc1)CC2 72339808 WNUDPZBZSHZZLS-UHFFFAOYSA-N 324.409 2.864 0 40 DFAB CC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 73109448 PPEOJPFKCCUBBP-UHFFFAOYSA-N 321.730 2.812 0 40 DFAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CC(=O)NC1CCCC1 75605010 SJYROKMNDVKCMC-CYBMUJFWSA-N 324.856 2.578 0 40 DFAB O=C(CN1CCCSc2ccccc21)NCc1ccco1 61782699 HOEJYDFEGZVBOH-UHFFFAOYSA-N 302.399 2.898 0 40 DFAB Cc1ncc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)s1 515443381 NOPVWZKKSJIJRE-JOCQHMNTSA-N 316.430 3.000 0 40 DFAB COc1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 5510905 BSPZMXVCZSROQI-CYBMUJFWSA-N 315.369 2.960 0 40 DFAB OC[C@H]1O[C@H]2c3ccccc3CO[C@@H]2[C@@H]1OCc1ccccc1 5882399 YIRCGTPRDKWRHB-HCXYKTFWSA-N 312.365 2.603 0 40 DFAB C[C@H](NC(=O)COc1ccccc1)c1nc(-c2ccccc2)no1 13495446 FHNIZBPJEBAFFW-ZDUSSCGKSA-N 323.352 2.993 0 40 DFAB COc1cccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 13668133 WMHLEBWKDUFEEZ-GASCZTMLSA-N 304.434 2.793 0 40 DFAB C[C@H]1CN2CCC[C@H]2CN1Cc1cn(C)c2ccc(F)cc12 19575806 ATKKSDBOLOEDBA-BBRMVZONSA-N 301.409 2.986 0 40 DFAB CCc1nnc(S/C(=C\c2ccc(OC)cc2)C(=O)O)o1 7342673 ZIUPGCDSKMHXDO-FLIBITNWSA-N 306.343 2.858 0 40 DFAB CO[C@H]1CN(Cc2cncn2C)CC[C@@H]1Cc1cccc(C)c1 643913749 FPYOOPONWREEAT-MJGOQNOKSA-N 313.445 2.808 0 40 DFAB Cc1cnccc1O[C@@H]1CCN(c2nnc(C3CC3)s2)C1 1889085933 WTTFVWMLSYWRMA-GFCCVEGCSA-N 302.403 2.777 0 40 DFAB CN(C)[C@@H](CNC(=O)c1n[nH]c2ccccc12)c1cccs1 23200215 JDVRULWTMXHPTB-ZDUSSCGKSA-N 314.414 2.657 0 40 DFAB CC(=O)N1CC[C@H](c2nc(C)cc(Nc3ncc(C)s3)n2)C1 2037836299 YUTRSPBRLKXEKE-LBPRGKRZSA-N 317.418 2.629 0 40 DFAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1ccnc(C(F)(F)F)c1 1565550000 MCODHPONWHMSBJ-TUAOUCFPSA-N 314.307 2.740 0 40 DFAB O=C(Cc1ccccc1)Nc1nonc1NC(=O)c1ccccc1 109830 WLVZGLJWBIISHH-UHFFFAOYSA-N 322.324 2.503 0 40 DFAB Cc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1 6868158 MHUYBMZTTGXAFI-UHFFFAOYSA-N 318.340 2.875 0 40 DFAB Cc1cc(C(=O)NC[C@@H](O)c2csc3ccccc23)no1 225691714 OQGRAANPPZOEEI-CYBMUJFWSA-N 302.355 2.661 0 40 DFAB Cc1ccc(/C=C/C(=O)NCc2ccnc(N3CCCC3)c2)o1 30012240 XYTWYZJMVCGRFL-VOTSOKGWSA-N 311.385 2.913 0 40 DFAB O=C(COc1ccccc1)NCCCN1CCc2ccccc21 31253998 KRXWOLQTFMRZPB-UHFFFAOYSA-N 310.397 2.634 0 40 DFAB CN(C)c1ccc(NC(=O)CCC(=O)c2cccs2)cn1 40487631 FDGNKNIFRKJMTN-UHFFFAOYSA-N 303.387 2.811 0 40 DFAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccc(Cl)s1 32701990 UTVKFQHGVDYBDC-KOLCDFICSA-N 314.838 2.522 0 40 DFAB O=C(Oc1ccc(N2CCOC2=O)cc1)c1cccc2[nH]ncc12 52335064 CRISMUCRPINDAI-UHFFFAOYSA-N 323.308 2.739 0 40 DFAB O=C(c1ccco1)N1CCC(NCc2c(F)cccc2F)CC1 42206563 OGTOWXMIXGUUHC-UHFFFAOYSA-N 320.339 2.952 0 40 DFAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCn2cncn2)C2CC2)o1 41895780 YEWXJXLEIORHJJ-WFASDCNBSA-N 314.389 2.576 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCN(C2CCCC2)CC1 42391403 ZEHNDEYYFSDHGU-UHFFFAOYSA-N 323.440 2.864 0 40 DFAB CCCCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 23130431 NIUVZKYPRDEMMP-UHFFFAOYSA-N 321.490 2.910 0 40 DFAB O=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1 62110 CHALIOINHRHPDO-UHFFFAOYSA-N 323.348 2.506 0 40 DFAB COc1cc2c(cc1OC)[C@@H](c1ccc(C(=O)O)cc1)NCC2 139553 KVGKBCFFKRIJJT-QGZVFWFLSA-N 313.353 2.637 0 40 DFAB CC1=NN(C(=O)c2ccccc2O)[C@@](O)(c2ccc(F)cc2)C1 982332 LDGPIQZVJYVQPS-KRWDZBQOSA-N 314.316 2.598 0 40 DFAB Cc1c(CC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 2129263 MPNYGCRESNKBFG-UHFFFAOYSA-N 302.326 2.832 0 40 DFAB biogenic Cc1ccc2[nH]cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1 2583100 LXTPSKBAIKOFNX-CQSZACIVSA-N 318.373 2.997 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1ccccc1S(C)(=O)=O 3417625 GHHCLJGTRLXAOJ-UHFFFAOYSA-N 307.346 2.790 0 40 DFAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1 3442702 QNDJERGSWFUSFY-UHFFFAOYSA-N 301.317 2.607 0 40 DFAB CNC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4545244 ZCJAUPXXUFQMNI-MIFVOYFBSA-N 306.365 2.603 0 40 DFAB CCC(=O)Nc1ccc(C(=O)Nc2nnc(CC)s2)cc1 4558920 ACCGRXKULLFLJZ-UHFFFAOYSA-N 304.375 2.701 0 40 DFAB CC(C)(C)c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4673507 AFFWKBQQXVTAPD-UHFFFAOYSA-N 305.359 2.817 0 40 DFAB biogenic,in-vitro C[C@H](c1ccccc1F)n1cc(C(=O)NC2CCCC2)nn1 4985765 NXAQNICHDSINDA-LLVKDONJSA-N 302.353 2.699 0 40 DFAB COc1cc(-n2ncc(C(C)=O)c2C)nc(-c2ccccc2)n1 5353691 NIEUMBIEQUFNRN-UHFFFAOYSA-N 308.341 2.849 0 40 DFAB O=C1OCC[C@H]1Sc1nnc(Cc2cccs2)n1C1CC1 5359941 XGXUWEORLAQQNV-LLVKDONJSA-N 321.427 2.673 0 40 DFAB O=C1c2cc3c(cc2CC[C@@H]1CN1CCCCC1)OCCO3 5511151 CSLJRPOTQZPSSN-CQSZACIVSA-N 301.386 2.689 0 40 DFAB CNc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 7101609 NEHYJEZDVLUKQX-UHFFFAOYSA-N 324.431 2.702 0 40 DFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1 7708132 BYBOZJBUURRQIT-UHFFFAOYSA-N 305.355 2.518 0 40 DFAB Cc1cccc(-c2nnc([C@H](C)Sc3n[nH]c(N)n3)o2)c1 8292559 FIIFOFKFPWYUGZ-QMMMGPOBSA-N 302.363 2.599 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCCc2ccccc21 9485637 PPBSDIONKMKQQY-AWEZNQCLSA-N 304.390 2.737 0 40 DFAB CCN1C=C(c2csc(N)n2)[C@@H](c2ccccc2)NC1=O 12324458 QIJBGKNXZPYULD-CYBMUJFWSA-N 300.387 2.853 0 40 DFAB Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)NC(=O)CO2 12700384 QQJDDDNNSPYJCM-UHFFFAOYSA-N 300.289 2.717 0 40 DFAB CC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(C3CC3)nc21 12921362 BBGMLAPKFBUKLM-UHFFFAOYSA-N 324.388 2.875 0 40 DFAB CN(C)C(=S)/N=c1\ssc(=S)n1Cc1ccco1 18043087 FWHDXWLCPICIAQ-LUAWRHEFSA-N 317.486 2.729 0 40 DFAB c1cncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1 19338758 ASQDERQBHWPSHN-MAUKXSAKSA-N 321.428 2.734 0 40 DFAB CC(C)C(=O)N1CCC(CC(=O)N[C@@H](C)c2ccccn2)CC1 19748764 YXSSDUIFYFSMGO-AWEZNQCLSA-N 317.433 2.544 0 40 DFAB COCc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 25330422 KZQLZKCOTWYLFN-INIZCTEOSA-N 318.442 2.927 0 40 DFAB CSc1ccc([C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 27160619 FCHAVSGGQVDWTO-NHYWBVRUSA-N 308.447 2.746 0 40 DFAB O=S(=O)(NCCSCc1ccsc1)c1ccccc1 31073719 JRAQIQMBZUPGEY-UHFFFAOYSA-N 313.469 2.960 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1 32094880 YGRYGSCVPSNEPC-MRXNPFEDSA-N 307.357 2.518 0 40 DFAB COc1cc2ccccc2cc1C(=O)O[C@H]1C[C@H](C)OC1=O 32736163 NDUSUPLBHNCEGC-BONVTDFDSA-N 300.310 2.709 0 40 DFAB O=S1(=O)C[C@@H](NCc2ccc(Cl)cc2)c2ccccc21 35688294 YLZUETFWBBYKIT-CQSZACIVSA-N 307.802 2.958 0 40 DFAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc(Br)c1 37502867 DHXDWDMAEANCQS-NSHDSACASA-N 323.234 2.663 0 40 DFAB CN(Cc1ccc(O)cc1)S(=O)(=O)c1ccccc1Cl 38092242 PLEZSGWRYYCXGB-UHFFFAOYSA-N 311.790 2.866 0 40 DFAB COC(=O)COc1ccc(NC(=O)c2cc(Cl)ccn2)cc1 40111478 GZJYIEDHHCEXLN-UHFFFAOYSA-N 320.732 2.539 0 40 DFAB NC(=O)[C@@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 41130777 GROWVQFHFFSOGD-QGZVFWFLSA-N 322.408 2.542 0 40 DFAB COc1c(COC(=O)c2ccccc2C)cnc(CO)c1C 44136385 GCCIRXSHKXMPJL-UHFFFAOYSA-N 301.342 2.556 0 40 DFAB in-vitro O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)nc1 44896686 DISHFLXPGWFXBM-HNNXBMFYSA-N 320.352 2.521 0 40 DFAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@@H]1CC=CCC1 44955547 BFHOVEKCFKKZDJ-MRXNPFEDSA-N 312.413 2.828 0 40 DFAB O=C(CSCc1ccc(Cl)cc1)NCCCn1ccnc1 45162191 AIWTWUGUYQMNRV-UHFFFAOYSA-N 323.849 2.976 0 40 DFAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 47157311 RLSWKFBBZMHWEF-LLVKDONJSA-N 310.357 2.767 0 40 DFAB C[C@@H](NC(=O)NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 52685841 WKAPSOJVYLLDDE-GFCCVEGCSA-N 324.446 2.783 0 40 DFAB Cc1ccc(C)c(N(C)Cc2cc(=O)n3nc(C)sc3n2)c1 54274805 XAPIIXYQFZYHSU-UHFFFAOYSA-N 314.414 2.713 0 40 DFAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55946360 DMOXIPOLSGJKJD-UXLLHSPISA-N 307.365 2.731 0 40 DFAB CONC(=O)c1csc(-c2cc(Br)cs2)n1 56201543 XUCZEANCXDSTEB-UHFFFAOYSA-N 319.205 2.925 0 40 DFAB C[C@@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57988388 KPDUKCAUUKJGRK-YPMHNXCESA-N 315.339 2.683 0 40 DFAB COc1ccc(C)cc1C(=O)Cn1cnc2ccccc2c1=O 58197393 DBUQUUKDOLDJPI-UHFFFAOYSA-N 308.337 2.596 0 40 DFAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 58208465 XWOQGLOJYJRGNW-GOSISDBHSA-N 324.428 2.609 0 40 DFAB CC(=O)N1CCC[C@H](C(=O)NCC(C)(C)c2cccc(C)c2)C1 58315436 DJPKXTFBIDOLAQ-INIZCTEOSA-N 316.445 2.647 0 40 DFAB Cc1csc(CCNCc2c(C(C)C)nn(C)c2N(C)C)n1 58406116 VQSOIMCXDAREHS-UHFFFAOYSA-N 321.494 2.707 0 40 DFAB Cc1ccc2cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)[nH]c2c1 58413662 OAXDWEJKTZGDME-ZDUSSCGKSA-N 324.384 2.962 0 40 DFAB CN(Cc1ccc(F)cc1)C(=O)NC[C@H]1Cc2ccccc2O1 58757265 KSEOSTAVFURHKR-MRXNPFEDSA-N 314.360 2.971 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C)s1 59118355 PLTIIKHSSCBXBK-UHFFFAOYSA-N 323.439 2.780 0 40 DFAB c1ccc2c(c1)OC[C@H](c1nnc(SC[C@H]3CCCO3)o1)O2 61130344 HXIPNJKTCBBIGE-ZWNOBZJWSA-N 320.370 2.853 0 40 DFAB CCC(O)(CC)CNc1ccc2nnc(-c3ccccc3)n2n1 63992633 IUUICKPBGONCGC-UHFFFAOYSA-N 311.389 2.754 0 40 DFAB Cc1nccn1-c1ccc(NC(=O)CCc2ccccn2)cn1 68787155 HYNPUKFNEFCNJA-UHFFFAOYSA-N 307.357 2.542 0 40 DFAB OCc1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 69191388 YBWBFEZZVKSVSD-UHFFFAOYSA-N 300.289 2.947 0 40 DFAB Cc1nnc2n1CCN(C(=O)c1sccc1-c1ccccc1)C2 69459481 XMMJJOBFDCVYLK-UHFFFAOYSA-N 324.409 2.971 0 40 DFAB O=C(O)CCNC1CCN(c2cccc(C(F)(F)F)c2)CC1 69485401 OZAHLJVSXLHOKL-UHFFFAOYSA-N 316.323 2.739 0 40 DFAB O=C(NCCc1nc2c(s1)CCCC2)Nc1cccnc1 69571523 WJBWZFDRJMWSLU-UHFFFAOYSA-N 302.403 2.781 0 40 DFAB CC(=O)Nc1ccc(OS(=O)(=O)Cc2cccc(C)c2)cc1 69666687 JDOJCIUJOCYVMU-UHFFFAOYSA-N 319.382 2.862 0 40 DFAB O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1 69707728 XSKBLGLHENLYDZ-UHFFFAOYSA-N 320.408 2.591 0 40 DFAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cnccn1 71881429 DQAYSQXEQFUHLB-UHFFFAOYSA-N 305.341 2.792 0 40 DFAB Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cn1 72231649 RPKUYZDFHFSYDM-AWEZNQCLSA-N 318.760 2.989 0 40 DFAB Cc1ccc2oc(C(=O)NCCN3CCc4ccccc43)cc2n1 72274084 MLTXONHRCUPQFB-UHFFFAOYSA-N 321.380 2.929 0 40 DFAB CCc1nc([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)no1 72274119 SZVPCXDICNHFHF-ZIAGYGMSSA-N 316.405 2.791 0 40 DFAB Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC([C@@H](C)O)CC1 72277782 BNTMREZLNYCPLL-CYBMUJFWSA-N 308.426 2.706 0 40 DFAB COc1cccc(CNC(=O)c2cc(Cl)nc(N(C)C)c2)c1 72281571 UOTCUXBQYSCNNQ-UHFFFAOYSA-N 319.792 2.740 0 40 DFAB O=C(CCc1cc(Cl)cs1)N[C@@H]1CCc2nccn2C1 72290539 KLNSQWKYYIRCTC-LLVKDONJSA-N 309.822 2.662 0 40 DFAB C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)C2CCC2)C1 72291727 LBELUESFRMEJJS-GXTWGEPZSA-N 309.454 2.511 0 40 DFAB CC(C)[C@@H](O)CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 72294176 HCDROPGXIFZHDW-LBPRGKRZSA-N 320.311 2.766 0 40 DFAB c1cncc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 72389954 WHECRPVVQVIFKR-MRXNPFEDSA-N 321.384 2.906 0 40 DFAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1C[C@H]1c1ccco1 75092985 MEVMJGBMABAWEM-KGLIPLIRSA-N 308.337 2.541 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cccnc2)C1 75126668 JFGYXAQRCCEEQK-HNNXBMFYSA-N 305.422 2.913 0 40 DFAB CCc1cc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)[nH]n1 76939748 GACSKWOFAHSRGS-VIFPVBQESA-N 308.332 2.811 0 40 DFAB CSc1ncccc1C(=O)NCC[C@H](O)c1cccs1 77113630 XIMUHNYTCXOOKI-NSHDSACASA-N 308.428 2.719 0 40 DFAB C[C@@H](CCc1cccn1C)Nc1ccccc1S(C)(=O)=O 78423584 DRHMDLIQJZVURG-ZDUSSCGKSA-N 306.431 2.862 0 40 DFAB C[C@@H](CCc1ccccc1)Nc1ncnc(-n2cccn2)c1N 79109281 PBLSBRXJUQVQOF-ZDUSSCGKSA-N 308.389 2.678 0 40 DFAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCc2ccccc21 88198202 PCTPHINPSIKEJW-HOTGVXAUSA-N 324.428 2.912 0 40 DFAB Cc1c(C(=O)O[C@@H](C)c2cnn(-c3ccccc3)c2)cnn1C 89544635 ZIDKMAYXABZSLX-ZDUSSCGKSA-N 310.357 2.832 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CC1 89598338 FYOQYIWQLRLJCZ-ZWNOBZJWSA-N 313.850 2.600 0 40 DFAB c1cn(-c2ccc(CN3CCC[C@@H](c4ccn[nH]4)C3)cc2)cn1 89787655 PJNONIUAMZVCQB-MRXNPFEDSA-N 307.401 2.975 0 40 DFAB Cc1ccn(-c2ccccc2CN[C@@H]2CCN3CCC[C@@H]3C2)n1 90518814 WJIJBPIVNYPBCD-QZTJIDSGSA-N 310.445 2.897 0 40 DFAB Cc1ccoc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91776816 QPKPVHAFSGNYLD-BXUZGUMPSA-N 307.296 2.814 0 40 DFAB CNC(=O)[C@H](C)CN(C)Cc1cc(C(F)(F)F)ccc1F 93899368 RMPZZKCDVWEBAT-SECBINFHSA-N 306.303 2.658 0 40 DFAB CC(C)CCNc1nc(C(=O)NCc2ccccn2)cs1 95478384 XMPCAAAEDUCMTC-UHFFFAOYSA-N 304.419 2.926 0 40 DFAB COC(=O)[C@@](C)(NC(=O)c1cc2c(s1)CCCC2)C1CC1 95960435 PPUTVQXMBUROLT-INIZCTEOSA-N 307.415 2.698 0 40 DFAB CCS[C@H]1CC[C@@H](NC(=O)N(C)C2CCC(CO)CC2)C1 95972235 GDOFWGGRLSKKBZ-JYVUQVBGSA-N 314.495 2.853 0 40 DFAB C[C@@H](c1ncc(C(C)(C)C)o1)n1nc(-c2ccco2)oc1=O 95990793 HKIULRGRNZPITK-VIFPVBQESA-N 303.318 2.991 0 40 DFAB O=C(c1ccccc1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107831 CCCDEMSZWUZKMT-APWZRJJASA-N 324.380 2.534 0 40 DFAB Cc1ccc(CN2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)o1 96201814 LAOLBWYDIOMPRF-PKOBYXMFSA-N 310.397 2.694 0 40 DFAB O=C1N(c2cccnc2)CC12CCN(Cc1cccs1)CC2 96202947 CGZDOHWFRZZAIS-UHFFFAOYSA-N 313.426 2.772 0 40 DFAB COc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1 96255081 YJRZPWMYKDWCLB-UHFFFAOYSA-N 309.413 2.963 0 40 DFAB C[C@@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccsc1 96414397 AXORBTFOVRCVLC-LLVKDONJSA-N 312.435 2.835 0 40 DFAB CCO[C@@H]1C[C@@H](N(C)CC2CCN(C(C)=O)CC2)C12CCCC2 96419713 UXEORFMZDCXNKI-QZTJIDSGSA-N 322.493 2.915 0 40 DFAB CCO[C@@H](C)c1noc(CNc2ncnc3ccc(F)cc23)n1 96429779 BKBZMQUYHHLSPL-VIFPVBQESA-N 317.324 2.862 0 40 DFAB NC(=O)c1csc(C(=O)N(Cc2ccccc2)CC(F)F)c1 96432634 JDKUNXUMIVNYMB-UHFFFAOYSA-N 324.352 2.755 0 40 DFAB CC[C@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccncc1 96434980 TWVOHVHBCJZREZ-NSHDSACASA-N 318.402 2.884 0 40 DFAB CCn1nc(C)c(CNC(=O)N2CCS[C@@H](C(C)C)C2)c1C 96439904 MRJIJVNQKKGDNG-OAHLLOKOSA-N 324.494 2.803 0 40 DFAB CCc1cnc(CN(C)C(=O)NCc2c(C)noc2C)s1 96446978 ZNQPWFQTJDOLRE-UHFFFAOYSA-N 308.407 2.652 0 40 DFAB CN(CCNC(=O)Nc1nccs1)Cc1ccc(F)cc1 96452160 LHCATIXRGQJIBU-UHFFFAOYSA-N 308.382 2.536 0 40 DFAB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)C2(C)CC2)[C@@H]1NC(=O)C1(C)CC1 96472848 HZUWVFRSYHUMEA-HZSPNIEDSA-N 320.477 2.870 0 40 DFAB O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccn1 97033052 LPGVPPFNHPZYEA-DZGCQCFKSA-N 302.761 2.995 0 40 DFAB Cn1ccc(CNc2ccc3nc(N4CCOCC4)oc3c2)c1 97045362 LUSPFNMUIIYXMO-UHFFFAOYSA-N 312.373 2.615 0 40 DFAB Cc1c(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cnn1C 97047082 WWGSJEAOKHHEHZ-ZDUSSCGKSA-N 322.815 2.890 0 40 DFAB Cc1ocnc1C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 97084331 LMEPWCPRGYNYPQ-OAHLLOKOSA-N 300.358 2.804 0 40 DFAB COc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100260862 CLKYLHQFRPESRB-IAGOWNOFSA-N 303.358 2.756 0 40 DFAB O=CN1[C@@H]2CC[C@@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 100769664 ZBEGPSITDZQFOO-CZUORRHYSA-N 322.343 2.753 0 40 DFAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc[nH]1)CC2 101490194 UKNNAVKCLURGMY-STQMWFEESA-N 319.405 2.629 0 40 DFAB CCCC[C@@H](CC)CNC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21 101498000 CLWACYNFCVCDFM-DOMZBBRYSA-N 316.401 2.624 0 40 DFAB Clc1ccc([C@@H]2C=C(c3ccncc3)Nc3nnnn32)cc1 102285274 DVPROUSCPSUAMV-AWEZNQCLSA-N 310.748 2.778 0 40 DFAB C[C@@H]1CCCN(CCNC(=O)N[C@H](C)c2ccc(F)cc2)C1 109039671 LQTRDEWMMVOIQA-ZIAGYGMSSA-N 307.413 2.918 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]1C(=O)N(C)C 132632438 LIISMRIHQACMMY-LBPRGKRZSA-N 309.797 2.733 0 40 DFAB CN(C)[C@@H](C(=O)NCCOCc1ccccc1)c1ccccc1 177063897 FZCHOJPWCMHNJY-GOSISDBHSA-N 312.413 2.622 0 40 DFAB Cc1nc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2C)o1 181881931 PNIOQHMISCRDDC-CYBMUJFWSA-N 302.330 2.546 0 40 DFAB CC[C@@]1(C)CN(C(=O)Nc2ccn(CCC(C)C)n2)CCO1 190106263 XQBZFUFRMIDSAU-INIZCTEOSA-N 308.426 2.962 0 40 DFAB C[C@H]1c2cc(F)ccc2CCN1C(=O)CN(C)[C@@H]1CCSC1 195547512 AWJFTZALPZPPLR-SWLSCSKDSA-N 322.449 2.709 0 40 DFAB O=C(CC(F)(F)F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220759292 QHQVILHZXKLZRG-VIFPVBQESA-N 317.311 2.681 0 40 DFAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC 224350658 ZFHCLFNQDAFTPP-CQSZACIVSA-N 310.825 2.993 0 40 DFAB CCSCCCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 225704370 BKEKJTPUPJHIPH-CQSZACIVSA-N 324.494 2.764 0 40 DFAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(C)C 226851558 BNBZASLTJQSLOC-AWEZNQCLSA-N 301.390 2.720 0 40 DFAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@H]3C)CC(=O)N2C)cc1 230173498 PVWPNCLPHDEWJJ-UWWQBHOKSA-N 314.429 2.915 0 40 DFAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cccc2ccccc12 238831487 GAASKFYGPZIVLS-QGZVFWFLSA-N 308.385 2.886 0 40 DFAB c1ccc(CN2CC3(C2)OCC[C@H]3CCNc2ccccn2)nc1 248126398 XCTLTAWXRUISTK-MRXNPFEDSA-N 324.428 2.570 0 40 DFAB Cc1ccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)cc1C 256046050 CJRHEGGADWFNDP-UHFFFAOYSA-N 314.389 2.963 0 40 DFAB Cc1c[nH]c([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)n1 257210584 BVGKEXGOSCDIJA-OAHLLOKOSA-N 309.369 2.858 0 40 DFAB Cn1cc(CN2CCC(Cc3cnc4[nH]ccc4c3)CC2)cn1 257220212 DKAGUVFBWYZDEV-UHFFFAOYSA-N 309.417 2.751 0 40 DFAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257302253 SCDNQLHKUDHQAE-CYBMUJFWSA-N 323.400 2.625 0 40 DFAB O=C(CSCCO)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408526650 BQLOWGFEOWKDGL-JSGCOSHPSA-N 319.451 2.714 0 40 DFAB CC1(C)CCc2cc(CC(=O)NCCn3cccc3)ccc2O1 524732701 LBKNQMJLMZNRHZ-UHFFFAOYSA-N 312.413 2.951 0 40 DFAB O=C(N[C@H]1C[C@H](O)c2ccccc21)c1cnc2n1CCCCC2 585114261 WXWJILQKIPUSFF-HOCLYGCPSA-N 311.385 2.518 0 40 DFAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC(F)(F)CC1 794296322 QAPSTSVCLVFTMD-OAHLLOKOSA-N 323.387 2.551 0 40 DFAB O=C(CC1(C(=O)O)CCCCCC1)Nc1ccccc1CO 8922372 GRBZTRUTTYADMV-UHFFFAOYSA-N 305.374 2.933 0 40 DFAB CCOC(=O)COc1cccc(C(=O)NC(C2CC2)C2CC2)c1 55192789 KILYSTYXBMJBGP-UHFFFAOYSA-N 317.385 2.547 0 40 DFAB O=C(Nc1ccc(F)cc1F)c1ccc(-n2ccnc2)nc1 1385349 MKJMTEKSCUUOGE-UHFFFAOYSA-N 300.268 2.798 0 40 DFAB C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1F 1381882 ARODBLBARKWDRC-VIFPVBQESA-N 302.280 2.952 0 40 DFAB Cc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)o1 79018364 YGPFLADOTFGXLK-QWHCGFSZSA-N 324.446 2.572 0 40 DFAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCSCC2)c1 2692791 YSCFQXUHEIZABD-HNNXBMFYSA-N 309.475 2.907 0 40 DFAB CN(Cc1ccco1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 43916064 BKUPJYMJKNCEDI-UHFFFAOYSA-N 313.357 2.836 0 40 DFAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccncc1 6790322 PKPODQUTIILGKU-UHFFFAOYSA-N 317.776 2.824 0 40 DFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncccn2)cc1 6910805 NBYVVQOZFQNNJY-JTQLQIEISA-N 316.386 2.554 0 40 DFAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCO[C@H](C)C1 108158112 SNQGKLCLXZXHRK-GRYCIOLGSA-N 313.344 2.663 0 40 DFAB O=C(NC1CC1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 35483072 HTTDTYSJSMOSQL-OAHLLOKOSA-N 322.412 2.639 0 40 DFAB C[C@H](OC(=O)CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1 19606462 YTBBNVQYCVONIX-LBPRGKRZSA-N 321.373 2.716 0 40 DFAB CC(C)c1nnc(NC(=O)c2cccc(C[S@@](C)=O)c2)s1 26601117 OHAAMBNWJXLXDO-NRFANRHFSA-N 323.443 2.792 0 40 DFAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ccccn2)CC1 8772265 VVSWYFYNHMPQKH-UHFFFAOYSA-N 319.767 2.837 0 40 DFAB Cc1ccccc1C(=O)N[C@H](C)c1nc(C)c(C(=O)O)s1 97050118 FQDMTUMBUZNQCX-SNVBAGLBSA-N 304.371 2.949 0 40 DFAB CC(=O)N[C@H](CC(=O)N[C@@H](C)Cc1ccco1)c1cccs1 44913034 FSRCYJJZBAIEFS-SMDDNHRTSA-N 320.414 2.656 0 40 DFAB O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cn[nH]c1 44967392 FCFAQYCJNWKJIP-UHFFFAOYSA-N 300.240 2.630 0 40 DFAB CCc1ccc([C@H](NS(=O)(=O)N(C)C)c2cccs2)cc1 28038826 XKIVYIOCLIHMCR-HNNXBMFYSA-N 324.471 2.796 0 40 DFAB COc1ccc(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 58403525 XFFRAIOPGFSXTC-LSDHHAIUSA-N 300.333 2.996 0 40 DFAB CC[C@H]1CN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCO1 45752325 ZEBXEXVCLAGCRK-JQWIXIFHSA-N 321.446 2.773 0 40 DFAB O=C(C1CCCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 29247089 KLQRYPBXRXUIQE-CQSZACIVSA-N 302.422 2.858 0 40 DFAB Cn1nnnc1NCc1ccccc1OCc1ccc(F)cc1 22112045 QXHZMFJYUBFGHO-UHFFFAOYSA-N 313.336 2.540 0 40 DFAB Cc1cc(N2CCC(c3ccc(O)cc3)CC2)n2ncnc2n1 29530979 WCCBCGVPQKCYDP-UHFFFAOYSA-N 309.373 2.522 0 40 DFAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 29864888 MTHHXVWMEOOHQA-LLVKDONJSA-N 308.809 2.998 0 40 DFAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1 2647792 WNVSIBPLGGXOMW-AAEUAGOBSA-N 310.394 2.835 0 40 DFAB Cc1nc(Cc2ccccc2)nc2sc3c(=O)n(C)cnc3c12 12389172 HTLMMCLOHIPBFY-UHFFFAOYSA-N 322.393 2.837 0 40 DFAB COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C)cc1C(=O)O 48229571 ACFMCOLSZVYDEF-RISCZKNCSA-N 320.389 2.771 0 40 DFAB COc1cccc(C(=O)OCC(=O)c2cccs2)c1OC 3385596 QAFAMJPEXCFSAA-UHFFFAOYSA-N 306.339 2.805 0 40 DFAB CCCCN(C)C(=O)Cn1c(S)nnc1-c1cccc(C)c1 24839365 FCIGPRIOSRRGTG-UHFFFAOYSA-N 318.446 2.801 0 40 DFAB COc1ccc(N)cc1NC(=O)c1ccc(Br)o1 22170996 DVNXKYCHXZWFPV-UHFFFAOYSA-N 311.135 2.885 0 40 DFAB CN(Cc1ccccc1)C(=O)CCNC(=O)Nc1ccccc1 12817155 IFOSEHPAYYGJNX-UHFFFAOYSA-N 311.385 2.857 0 40 DFAB Cc1c(NS(=O)(=O)c2ccccc2F)cccc1C(=O)O 38106390 WIWBPCWCFAIOCP-UHFFFAOYSA-N 309.318 2.633 0 40 DFAB COc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc1 9273290 LQCPCMCPKWSEDT-UHFFFAOYSA-N 324.388 2.716 0 40 DFAB S=C(NCc1ccccc1)NNC(=S)Nc1ccccc1 4562258 KPRPGOUHKONXEW-UHFFFAOYSA-N 316.455 2.552 0 40 DFAB CCNC(=O)c1cc(Br)c(OC)c(OCC)c1 6594435 IJHZSQOCDVCFEO-UHFFFAOYSA-N 302.168 2.606 0 40 DFAB Cc1cccc(NC(=O)N2CCN(Cc3cc(C)no3)CC2)c1 24365823 CBDKDYMURCNKDY-UHFFFAOYSA-N 314.389 2.641 0 40 DFAB Cc1noc(C)c1CSCC(=O)Nc1nnc(C2CC2)s1 5938075 MEKRVHFSANXWLW-UHFFFAOYSA-N 324.431 2.892 0 40 DFAB Cc1n[nH]cc1CNc1ccccc1CN1CCC(CO)CC1 84028321 XOQNVGPBWIHJHT-UHFFFAOYSA-N 314.433 2.535 0 40 DFAB CC(C)(C)OC(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 72190683 VLYSQQLGOQCNQR-UHFFFAOYSA-N 316.405 2.616 0 40 DFAB Cc1cccc2nc(C(=O)/N=c3/sc4ccccc4n3C)cn12 16005005 TYASLQPOPQLSLC-HTXNQAPBSA-N 322.393 2.937 0 40 DFAB C[C@H]1CN(Cc2nc(-c3ccccc3Cl)no2)C[C@H](C)O1 16333221 PTJSGBQLSXEIMD-QWRGUYRKSA-N 307.781 2.999 0 40 DFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1OC 71818741 XVYOMXXURYFQKC-OAHLLOKOSA-N 314.385 2.938 0 40 DFAB O=C(NC1CCN(c2ccccn2)CC1)N1Cc2ccccc2C1 71879754 UVQUDTWXHCDJLX-UHFFFAOYSA-N 322.412 2.776 0 40 DFAB Cc1ccn(-c2nc3ccccc3nc2-n2nc(C)cc2C)n1 8321523 HWHFPUXDMPGLGW-UHFFFAOYSA-N 304.357 2.926 0 40 DFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cn(C)nc2-c2cccnc2)c1 69489431 WXAZZVZGGQZHEW-CABCVRRESA-N 324.432 2.726 0 40 DFAB Cc1cc2n(n1)C[C@@H](CN[C@H]1CCOc3c(C)cccc31)CN2 69414305 TYLHNPBRWVZFCY-HOCLYGCPSA-N 312.417 2.655 0 40 DFAB CO[C@H](C(=O)Nc1cc(-c2ccncc2)n[nH]1)c1ccccc1 69536691 WKVPPDHPPINLOU-INIZCTEOSA-N 308.341 2.798 0 40 DFAB Cc1cc(C)cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c1 69879991 KRKLWQCEWZKITK-CQSZACIVSA-N 323.458 2.838 0 40 DFAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccs2)c(=O)[nH]1 72305686 CKJCISGSALYVPE-NSHDSACASA-N 305.403 2.614 0 40 DFAB Cc1ccc(-c2nc(CN3CCn4ccnc4C3)cs2)o1 97201636 LZFHJSDNDMUYNH-UHFFFAOYSA-N 300.387 2.924 0 40 DFAB CCCCCC(=O)CN1CCN(C(=O)c2ccccc2)CC1 72434036 KYLZGQWMJDUOCU-UHFFFAOYSA-N 302.418 2.594 0 40 DFAB Cc1ncc(CNCc2cccnc2N(C)C)n1-c1ccccc1 95409410 MZGPJDGAOOGINX-UHFFFAOYSA-N 321.428 2.932 0 40 DFAB CN(C[C@@H](O)C1CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 95411275 JKRKDEJRYRCUGP-HZPDHXFCSA-N 306.381 2.689 0 40 DFAB OCc1ccc(CNc2cccc(OCCn3cccn3)c2)o1 95428569 OTJQBFBJSHEYIX-UHFFFAOYSA-N 313.357 2.660 0 40 DFAB O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@]1(O)CCSC1 95980178 UNQJZSGLVFGKHE-OAHLLOKOSA-N 309.435 2.654 0 40 DFAB C[C@@H](Nc1nc(N)c2ccccc2n1)[C@H](O)Cc1ccccc1 95978591 AJNGWHGRVUEFDY-MLGOLLRUSA-N 308.385 2.616 0 40 DFAB CCO[C@H]1C[C@@H](OC(=O)c2ccc3nnc(C)n3c2)C12CCC2 95966951 ILTQYRGTVHHONN-UONOGXRCSA-N 315.373 2.542 0 40 DFAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cccc2cc[nH]c12 95980340 YOIGVVNWJAHJIC-HNNXBMFYSA-N 324.384 2.722 0 40 DFAB CN(C)c1ccccc1N(C)Cc1nc2ccccc2c(=O)n1C 95977668 OCQUCZMISMQAII-UHFFFAOYSA-N 322.412 2.636 0 40 DFAB CCc1nn(C)c2[nH]nc(NC(=O)c3c(C)oc(C)c3C)c12 75094267 QGEDZSUUPWGOLZ-UHFFFAOYSA-N 301.350 2.629 0 40 DFAB CC(C)(C)CNC1(Cc2cc(CN3CCCCC3)on2)COC1 67898431 FHBVFTGEIDDYEJ-UHFFFAOYSA-N 321.465 2.608 0 40 DFAB biogenic,in-vitro Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1nnc(C2CC2)o1 75605242 GNJJRRILAVPUFP-NSHDSACASA-N 321.812 2.979 0 40 DFAB Clc1cc(CN[C@@H]2CCc3ncnn3C2)c2ncccc2c1 75603441 GJEOOOXBTJWHBL-CQSZACIVSA-N 313.792 2.584 0 40 DFAB COc1ccc2cc([C@H](C)N3CCS(=O)CC3)ccc2c1 75720606 NBFVNZCGQYWTHY-ZDUSSCGKSA-N 303.427 2.974 0 40 DFAB O=C(c1nccc2ccccc12)N1CCN(CC(F)(F)F)CC1 63541826 DMMOWRFXZDIBTH-UHFFFAOYSA-N 323.318 2.555 0 40 DFAB COc1ccc(-c2cnc3n2CCN(C(=O)c2ccco2)C3)cc1 306135383 OPKODPCXIRYEDP-UHFFFAOYSA-N 323.352 2.808 0 40 DFAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1Cc1cccc(Cl)c1 408617993 BOYPTLQINDHEIE-OSLXHZNNSA-N 313.784 2.893 0 40 DFAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 32579440 QRZFYVZDDVLBIH-UHFFFAOYSA-N 304.268 2.567 0 40 DFAB C[C@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2cccnc2)no1 32824566 RWCFTEFOCPAGCR-GXTWGEPZSA-N 314.389 2.759 0 40 DFAB c1ccc2c(c1)CCc1ccccc1C1(OCCO1)C21OCCO1 3848034 FAEIMMVOBUHYEB-UHFFFAOYSA-N 324.376 2.885 0 40 DFAB biogenic N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccs1 72227268 GKGAVQMKKXAMEW-VXGBXAGGSA-N 323.215 2.926 0 40 DFAB Cc1ccc(NC(=O)C2=C(O)CN(c3ccccc3)C2=O)cc1 217442240 DGMKRIKZWVAOLV-UHFFFAOYSA-N 308.337 2.792 0 40 DFAB CCCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O 35085537 HLWDZYYWCSAAEB-AWEZNQCLSA-N 313.419 2.732 0 40 DFAB Cc1noc(C)c1C(=O)OCC1CCN(CC(F)(F)F)CC1 77944493 LYEZGELJOVPMAV-UHFFFAOYSA-N 320.311 2.723 0 40 DFAB COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1F 189153087 QEOBQLDWWBHQQC-UHFFFAOYSA-N 308.330 2.586 0 40 DFAB Cn1cc(-c2nnc3sc(-c4ccc(F)c(F)c4)nn23)cn1 79487748 GKZRDAFKEWFECV-UHFFFAOYSA-N 318.312 2.532 0 40 DFAB CCN(CC(=O)Nc1cccc(C(=O)OC)c1)c1ccccc1 47080914 QBIKTTUSZYOCQN-UHFFFAOYSA-N 312.369 2.938 0 40 DFAB Cc1c[nH]cc1C(=O)N1CCCN(c2cccc(F)c2F)CC1 570077574 CLBJEVBZPGXDEL-UHFFFAOYSA-N 319.355 2.954 0 40 DFAB O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 43733621 SHAQXPZQTRQOJD-LLVKDONJSA-N 306.793 2.752 0 40 DFAB COc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224637005 ITPMLYFONRCMRK-UHFFFAOYSA-N 321.398 2.837 0 40 DFAB CC(C)CN(CCC(=O)O)C(=O)c1ccc(Br)o1 195529640 XNOLGWZMBATGJY-UHFFFAOYSA-N 318.167 2.615 0 40 DFAB COc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 41056890 GHPWXMBMUUCJNG-UHFFFAOYSA-N 308.337 2.799 0 40 DFAB CCn1nc(C)c(NC(=O)c2cn(-c3ccccc3)cn2)c1C 227115768 PGICAYPVYCULBI-UHFFFAOYSA-N 309.373 2.958 0 40 DFAB Cc1cc(C)nc(NS(=O)(=O)c2cc(C)c(Cl)s2)n1 195578575 GDECJCSWKCAPKE-UHFFFAOYSA-N 317.823 2.918 0 40 DFAB COc1ncccc1CN1CCC2(CC1)C(=O)Nc1ccccc12 96063572 UAISHZMWCZQNQG-UHFFFAOYSA-N 323.396 2.576 0 40 DFAB CC[C@H](C)Oc1cc(C(=O)N2CCCN(C(C)C)CC2)ccn1 96495018 JSHGUJDXYGJFDQ-HNNXBMFYSA-N 319.449 2.815 0 40 DFAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)n1C1CC1 96494237 JHBANAQYHQGZLA-OAHLLOKOSA-N 313.405 2.925 0 40 DFAB C[C@H](N[C@@H](C(N)=O)C(F)(F)c1ccccc1)c1ccccc1 95470351 YSRXWGIQWHNBMT-WFASDCNBSA-N 304.340 2.983 0 40 DFAB C[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)N1[C@H](C)CC[C@H]1C 95429627 XHFHZYACUKSCTD-KFWWJZLASA-N 318.465 2.876 0 40 DFAB CCC1(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CCC1 96502251 QOKTZUUPLARIOH-AWEZNQCLSA-N 310.438 2.751 0 40 DFAB CC(C)OC(=O)c1ccn(Cc2cccc(C(C)C)n2)c(=O)c1 97376144 TXAZTWIWVLSLHF-UHFFFAOYSA-N 314.385 2.980 0 40 DFAB COc1ccc(C(N)=O)cc1NC(=O)[C@@H](C)c1ccc(C)s1 96448278 VFQLMEXIBGLOBL-JTQLQIEISA-N 318.398 2.906 0 40 DFAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2ccnc2)s1 96250229 KNRAVIJKLGZMSQ-HYVNUMGLSA-N 317.458 2.933 0 40 DFAB COc1cccc(Cl)c1CC(=O)N1CCC[C@](C)(CO)C1 97379141 KHSKUXJRGORVDN-INIZCTEOSA-N 311.809 2.512 0 40 DFAB CO[C@@H]1CCN(C(=O)N2CCCC2)C[C@@H]1Cc1ccccc1 96110183 TWFTWAUBYQPYTM-DLBZAZTESA-N 302.418 2.782 0 40 DFAB CC(C)COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](CO)C2)cc1 96467267 AZJDIDHBACKNKO-HUUCEWRRSA-N 320.433 2.806 0 40 DFAB CCc1ccccc1OC1CN(C(=O)[C@@H]2CCCCCN2C)C1 95364254 FMDIIOLDLVCHCL-KRWDZBQOSA-N 316.445 2.713 0 40 DFAB CC(C)C[C@H](NC(=O)N(C)C[C@H]1CCC[C@H]1O)c1ccccn1 245338866 OZINEHLDGSOJPN-HYVNUMGLSA-N 319.449 2.971 0 40 DFAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1 248294259 VXPWVGAOLAXFCC-KRWDZBQOSA-N 318.465 2.689 0 40 DFAB O=C(CCc1cccc(F)c1)N1CCC[C@H]1c1ccnc(O)n1 257276198 NSTKPFBZBLEVOV-HNNXBMFYSA-N 315.348 2.618 0 40 DFAB CN(C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)C1 252497124 PZPFFYPBSDLYBQ-IJLUTSLNSA-N 321.387 2.842 0 40 DFAB COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257225393 FFZWMKLQPSETSN-KUZCPNRJSA-N 314.429 2.783 0 40 DFAB O=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2ccsc12 54753912 KPZGDAPDEYAQOE-UHFFFAOYSA-N 311.288 2.989 0 40 DFAB O=C(NCCC1=CCCCC1)c1ccc(N2CCCC2)nn1 75172609 HVHCNIRHWPVZGL-UHFFFAOYSA-N 300.406 2.697 0 40 DFAB C[C@](O)(CNC(=O)c1cc2ccccc2[nH]1)c1ccsc1 76092437 AELPCOCVXXWTCR-INIZCTEOSA-N 300.383 2.867 0 40 DFAB C1CC(c2nnc(CN3CCC[C@@H]3c3noc(C4CC4)n3)o2)C1 76047694 RDCOYZFBFQRAMU-GFCCVEGCSA-N 315.377 2.935 0 40 DFAB Cc1cc(CNC(=O)Nc2c(C)ccn(C)c2=O)ccc1Cl 97113358 KWBCCOKFGUMKAY-UHFFFAOYSA-N 319.792 2.977 0 40 DFAB CCCN1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 1534646420 KZNTXUUMPSQZOL-KBPBESRZSA-N 303.406 2.541 0 40 DFAB CC(=O)N1CCC(N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)CC1 1615152603 CCFSPZTWWUEVKE-MAUKXSAKSA-N 308.466 2.667 0 40 DFAB CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1 13624482 UMNHQYOLCNJYQF-CMDGGOBGSA-N 301.386 2.810 0 40 DFAB Cc1ccc(C2(CN3CCN(Cc4cnn(C)c4)CC3)CC2)cc1 19208444 RRKXVSHGGKFTSL-UHFFFAOYSA-N 324.472 2.578 0 40 DFAB O=C(CCc1cccc2ccccc12)N1CC[C@H](n2ccnn2)C1 206928752 QOINXTPOVFPRDF-KRWDZBQOSA-N 320.396 2.838 0 40 DFAB CCOC(=O)CCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 204752595 FXYWLMOQBLEBLU-GASCZTMLSA-N 305.418 2.792 0 40 DFAB COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O 5732763 WRFQRUBJBPLPAM-UHFFFAOYSA-N 300.266 2.585 0 40 DFAB biogenic,in-vitro CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1cc(OC)ccc1Cl 1565550348 ZSDGDGQJECSKBO-RWSFTLGLSA-N 309.793 2.988 0 40 DFAB O=c1c2ccc(Cl)cc2nc(S)n1Cc1cccnc1 425259 FMLUPHGXWLZZFA-UHFFFAOYSA-N 303.774 2.782 0 40 DFAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccccc1Cl 8902648 OAJZSCXXNSVHDS-UHFFFAOYSA-N 319.773 2.970 0 40 DFAB CC(C)Oc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1 10255639 SXYHORQAGRTHOF-QGZVFWFLSA-N 324.380 2.531 0 40 DFAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2ncccc2c1 585149896 YCHLXCVTCLABEP-ZFWWWQNUSA-N 311.385 2.582 0 40 DFAB Cc1nc(CN2CCN(C(=O)c3ccccc3C)CC2)cs1 31259112 ZTWJIFZQCBPKDI-UHFFFAOYSA-N 315.442 2.718 0 40 DFAB CC[C@H](CO)Nc1ccc(NC(=O)c2ccccc2OC)cn1 20382423 MAEGNPYXLAQPHP-GFCCVEGCSA-N 315.373 2.525 0 40 DFAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)NCCC1=CCCCC1 40468797 KAKOYZITGKDBLY-CYBMUJFWSA-N 315.417 2.593 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc(F)c(F)c1 40525888 KFIOZZHPPBQEFO-CQSZACIVSA-N 310.275 2.959 0 40 DFAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCOCC3)c12 40529075 AJPYFNXRAYMBGH-UHFFFAOYSA-N 315.373 2.525 0 40 DFAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1ccc[nH]1 32911886 KOSLEIDDCLJPLT-AWEZNQCLSA-N 312.341 2.819 0 40 DFAB O=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 505553 WFPNWCGWYRGCHQ-UHFFFAOYSA-N 300.701 2.953 0 40 DFAB CN1CCC(CN(C)C(=O)c2cnc(C(C)(C)C)s2)CC1 103450314 ZGNZXFIVRXNQFS-UHFFFAOYSA-N 309.479 2.854 0 40 DFAB COc1ccc(-n2ncc(C(=O)NC(C)C)c2-n2cccc2)cc1 22574469 NBFDVSQWDFGIJM-UHFFFAOYSA-N 324.384 2.810 0 40 DFAB O=C1CCN(c2nc(-c3ccsc3)nc3ccccc23)CCN1 54369699 DRZRIVJNNMJMBT-UHFFFAOYSA-N 324.409 2.685 0 40 DFAB CNC(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104751065 RBZKMMAMZZHVKG-VHRBIJSZSA-N 303.431 2.521 0 40 DFAB COC(=O)Nc1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 55150346 NUGLOLOHZGVRHF-UHFFFAOYSA-N 308.334 2.694 0 40 DFAB COc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1 1393855 ZNOVUYOGXVHRCK-UHFFFAOYSA-N 310.235 2.944 0 40 DFAB COCc1cc(N2CCSCC2)nc(-c2ccccc2)n1 1388931 RIJRPIQJIFGGFX-UHFFFAOYSA-N 301.415 2.843 0 40 DFAB CNC(=O)c1ccc(CN2CC[C@H](OCCC(C)C)C2)cc1 83247877 IZVSYGOIIOKBDQ-KRWDZBQOSA-N 304.434 2.683 0 40 DFAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ncoc1-c1cccs1 78161095 OBWJRVFPTKFGED-FZZIBODNSA-N 318.398 2.946 0 40 DFAB CN(c1ccccc1)c1ccccc1NS(=O)(=O)N(C)C 78237231 SCXFCODBKZBBQP-UHFFFAOYSA-N 305.403 2.673 0 40 DFAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccccc3F)cc12 25012659 OORRVHUVPJYSQJ-UHFFFAOYSA-N 313.288 2.741 0 40 DFAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc2ccccc2oc1=O 1351412 FWKYKEUJOVAKRJ-AWEZNQCLSA-N 321.332 2.527 0 40 DFAB NC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c(C2CC2)n1 79099554 PPGAJFHWUXMYGN-UHFFFAOYSA-N 309.291 2.927 0 40 DFAB CC(C)(C)OC(=O)NCC1(c2cccc(F)c2)CCNCC1 79034429 NOHJMWSDHUETLY-UHFFFAOYSA-N 308.397 2.972 0 40 DFAB COc1ccc(OC[C@@H](O)CN2c3ccccc3C[C@@H]2C)cc1 25405173 UQHGBGNABWWBGI-HOCLYGCPSA-N 313.397 2.886 0 40 DFAB COCCNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 25524091 FANMAEBPGHHXCO-UHFFFAOYSA-N 305.403 2.562 0 40 DFAB CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 4851819 FGICMAMEHORFNK-UHFFFAOYSA-N 311.259 2.930 0 40 DFAB in-vitro COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 1645263 FNHLXIXCQDGUCQ-UHFFFAOYSA-N 311.179 2.618 0 40 DFAB in-vitro Brc1cccc(-c2csc(N3CCNCC3)n2)c1 44494100 SXIJVLLFKRRIOV-UHFFFAOYSA-N 324.247 2.982 0 40 DFAB Cc1cc(=O)n2nc(N[C@@H](C)c3ccc(F)cc3)sc2n1 44897100 BNRXLHIUXSOBSW-VIFPVBQESA-N 304.350 2.772 0 40 DFAB COC(=O)c1ccc(N[C@@H](C)c2ccc(OC)c(F)c2)nn1 58393496 OGTQUPLZRYRLHG-VIFPVBQESA-N 305.309 2.584 0 40 DFAB CC(=O)N[C@H](C(=O)N(C)Cc1cccc2ccccc12)C(C)C 45186880 FJOJYUPOMULUAD-SFHVURJKSA-N 312.413 2.959 0 40 DFAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@@H]1CCCO1 27922494 DCPLETLPTAQNPP-HNNXBMFYSA-N 317.364 2.805 0 40 DFAB CCCn1ccnc1-c1cccc(NC(=O)N2CC[C@H](O)C2)c1 96009319 LBIIULNUCZBEFJ-HNNXBMFYSA-N 314.389 2.559 0 40 DFAB Cc1nc(CNC(=O)NC[C@@H](C)N(C)c2ccccc2)cs1 45343680 VNAYCRHAEMFJFY-GFCCVEGCSA-N 318.446 2.776 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 23326361 RAYHBVLLZULXKA-ZDUSSCGKSA-N 309.369 2.946 0 40 DFAB COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1F 3259177 IEAWKRDEVRQQDC-UHFFFAOYSA-N 303.289 2.664 0 40 DFAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@@H]1c1ccccc1 105105129 UNPQFTYTEWXGIE-HFTRVMKXSA-N 304.386 2.700 0 40 DFAB CCc1sc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1C 12048191 FAIPRLZCOKMNNL-AWEZNQCLSA-N 302.399 2.575 0 40 DFAB Cc1noc(CCCC(=O)N2CCc3sccc3[C@@H]2C)n1 46763925 PNTLMAWGCJSHGD-JTQLQIEISA-N 305.403 2.908 0 40 DFAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N1C(=O)CCC1=O 2732485 HKCLUFICOAVRCX-UHFFFAOYSA-N 317.776 2.855 0 40 DFAB O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1cccc(F)c1 67142146 JSYQGIYHELELDL-IRXDYDNUSA-N 302.393 2.672 0 40 DFAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c1 100178769 QUAVWZJBASPHIB-YHUYYLMFSA-N 307.349 2.591 0 40 DFAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)Cc1ccccc1 37804944 BYCGNDDLJTVDFY-INIZCTEOSA-N 302.805 2.868 0 40 DFAB Cc1ccc(OCCCC(=O)Nc2sccc2C(N)=O)cc1 3409296 LFUXZKBXWZMORT-UHFFFAOYSA-N 318.398 2.953 0 40 DFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccs1 3431901 FPJVLEGPEPNPIR-JTQLQIEISA-N 322.817 2.836 0 40 DFAB CCN(CC)c1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)cc1 3529728 WIRKQNKJVZPNPU-AWEZNQCLSA-N 320.433 2.850 0 40 DFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN(Cc1ccccc1)C1CC1 13008213 ORSVVSSOIQKSLM-CALCHBBNSA-N 310.397 2.560 0 40 DFAB O=C1NCCC[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12 63993030 HXBCSXCDSYVMCN-MRXNPFEDSA-N 318.380 2.987 0 40 DFAB COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1F 9389144 OUWFVVWZVGAZLP-UHFFFAOYSA-N 308.397 2.873 0 40 DFAB Cc1cc2n(n1)C[C@@H](CN[C@H]1CCCOc3ccccc31)CN2 65593736 UQSZEYPVTLGBLW-HOCLYGCPSA-N 312.417 2.737 0 40 DFAB CN(C)[C@H]1CC[C@H](NC(=O)CCc2nc3ccccc3s2)C1 93985644 SBHKHHAYJOJHIA-STQMWFEESA-N 317.458 2.828 0 40 DFAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 6654158 YEFFJTQTKKOTCP-NSHDSACASA-N 300.383 2.905 0 40 DFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1c(C)noc1C 6850035 CJWQCCUEOFOCRY-UHFFFAOYSA-N 316.357 2.725 0 40 DFAB Cc1ccc(-n2nnc(C(=O)NCC(F)(F)F)c2C2CC2)cc1 71849941 YOTKBLWDUQKUJM-UHFFFAOYSA-N 324.306 2.745 0 40 DFAB COCCCN(Cc1ccncc1)C(=O)c1cccc2cn[nH]c12 71883460 OCCQUJQEGPNPDQ-UHFFFAOYSA-N 324.384 2.637 0 40 DFAB CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCOc2ccccc21 7922504 JDNWPQCMAGAFDO-ZDUSSCGKSA-N 320.389 2.541 0 40 DFAB Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2COCCO2)c1 71910501 FIJAAWXZGPPDLE-IRXDYDNUSA-N 303.402 2.854 0 40 DFAB CCCC[C@@H](NCc1c(C)noc1C)C(=O)Nc1cc(C)on1 71902594 OYZOBZXBRMRDOE-CQSZACIVSA-N 320.393 2.875 0 40 DFAB Cc1n[nH]c(C)c1CNC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 69396978 MXBTVXHJNCTMSX-RYUDHWBXSA-N 318.343 2.947 0 40 DFAB C[C@H](O)CN1CCC(CN(C)Cc2ccc(Cl)s2)CC1 69658895 MWZDUOIQGMEPFU-LBPRGKRZSA-N 316.898 2.926 0 40 DFAB CCOc1cccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 69772355 CGVLWBAKPNYNSZ-UHFFFAOYSA-N 312.325 2.783 0 40 DFAB C[C@@H](NCC1=Cc2ccccc2OC1)c1ccc2[nH]c(=O)[nH]c2c1 69705051 QJBRHGIRLZVVFK-GFCCVEGCSA-N 321.380 2.983 0 40 DFAB C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccn(C2CCCC2)n1 95445470 ILDWDMDIZRLLML-DOMZBBRYSA-N 317.389 2.833 0 40 DFAB Cn1nncc1CN1CCC[C@H](Sc2ccc(F)cc2F)C1 97032751 GTMOAIJIIZXUII-ZDUSSCGKSA-N 324.400 2.850 0 40 DFAB COCC(=O)Nc1nc(-c2c[nH]c3ncccc23)c(C)s1 95982034 QTYCIECSWZZTQU-UHFFFAOYSA-N 302.359 2.580 0 40 DFAB CCCCN1C(=O)[C@]2(NC(=O)c3ccccc3O2)c2ccccc21 20636612 BUUPJCKFJGFXTP-IBGZPJMESA-N 322.364 2.809 0 40 DFAB Cc1csc(NC(=O)C2CCN(c3cccc(F)n3)CC2)n1 95963867 OAGXPBIFLROKTD-UHFFFAOYSA-N 320.393 2.841 0 40 DFAB OCCn1nc(-c2ccc(Cl)cc2)cc1N[C@@H]1CCCOC1 95992474 ILDNQILPIIBEJR-CQSZACIVSA-N 321.808 2.787 0 40 DFAB C[C@@H]1CN(C(=O)NCCCOC2CCOCC2)c2ccccc21 74542855 GYPNJZOVCKWWQR-CQSZACIVSA-N 318.417 2.905 0 40 DFAB Cc1ccccc1[C@H](NC(=O)Cn1cc(C2CC2)nn1)C1CC1 89689152 ASJZRJHXBAMZCR-GOSISDBHSA-N 310.401 2.731 0 40 DFAB Cc1nnc2ccc(NC[C@@H]3C[C@]34CCc3ccccc34)nn12 89740964 GYFWOOVIFUAVQO-KBXCAEBGSA-N 305.385 2.749 0 40 DFAB C[C@H]1COc2ccccc2N1CC(=O)N1CCc2ccccc21 76091410 IZTVHVDIGQZWAW-AWEZNQCLSA-N 308.381 2.863 0 40 DFAB COc1ccccc1OC1CN(Cc2ccc(C(=O)O)cc2)C1 65371748 JBEONHPOXFKJTF-UHFFFAOYSA-N 313.353 2.657 0 40 DFAB COc1ccc(CNC2CCC(C)(N3CCOCC3)CC2)cc1 1551237538 SMRMNMCPMWJKOK-UHFFFAOYSA-N 318.461 2.818 0 40 DFAB COC(=O)[C@H]1C[C@H]1C(=O)NC(c1cccs1)c1cccs1 78188899 GHXDTAAMIPKTTC-ZJUUUORDSA-N 321.423 2.824 0 40 DFAB O=C(c1nccn2ccnc12)N1CCSC[C@@H]1c1ccccc1 73730796 UDRLRVWGEKMNOR-CQSZACIVSA-N 324.409 2.660 0 40 DFAB O=C1CN(C(=O)CCCOc2ccccc2)c2ccccc2N1 42236080 DUMGCBDSSNPHQJ-UHFFFAOYSA-N 310.353 2.831 0 40 DFAB CC(C)(C)[C@@H]1OCCC[C@H]1CN[C@@H](C(N)=O)c1ccccc1 195530446 MVZPAGJWJORQOE-ARFHVFGLSA-N 304.434 2.644 0 40 DFAB CC(C)(C)OC(=O)n1nc(CN2CCC2)c2ccc(N)cc21 89195763 VQFWWFZWWFTKIV-UHFFFAOYSA-N 302.378 2.607 0 40 DFAB CCOc1cccc(CN(C)S(=O)(=O)c2ccccc2)c1 223722481 NRTFXFXNHPQVBN-UHFFFAOYSA-N 305.399 2.906 0 40 DFAB CC(C)N(CCNS(=O)(=O)c1ccc2c(c1)CCC2)C(C)C 48343939 YFFWUVWGRIDWQJ-UHFFFAOYSA-N 324.490 2.572 0 40 DFAB Nc1nn(-c2ccc(Cl)c(Cl)c2)nc1Br 89262266 RXTPLFTYKBMQMH-UHFFFAOYSA-N 307.966 2.919 0 40 DFAB CS[C@H]1CC[C@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 96434038 LXSQOZZGYXOPTM-JQWIXIFHSA-N 319.434 2.682 0 40 DFAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](C)COCC(C)C 96415406 OOBLCYVWFRYCSH-NWDGAFQWSA-N 311.426 2.583 0 40 DFAB CC[C@H](NC(=O)NCc1cccc(N(C)C)n1)c1nccs1 95438099 LGONSBXBGDWMSQ-LBPRGKRZSA-N 319.434 2.555 0 40 DFAB O=C(CCn1cnc2sccc2c1=O)Nc1ccsc1 95398640 JORXTGJDRVKUKF-UHFFFAOYSA-N 305.384 2.548 0 40 DFAB CS[C@H]1CC[C@@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 96434037 LXSQOZZGYXOPTM-PWSUYJOCSA-N 319.434 2.682 0 40 DFAB COC(=O)c1cncc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1 91248208 WRIUDYSTGZISKQ-NSHDSACASA-N 318.398 2.633 0 40 DFAB COc1cc(OC)cc(C(=O)c2cc(OC)ccc2OC)c1 95916704 VDJYAXMBVPZQPP-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB COc1ccccc1[C@@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 96489709 TVBQVGGLKOBPKC-CYBMUJFWSA-N 315.417 2.918 0 40 DFAB c1ccc([C@H]2CCCN2c2nccc(N[C@@H]3CCCOC3)n2)cc1 333196380 XIIBLPIUJLACLO-IAGOWNOFSA-N 324.428 3.409 0 40 DFAB CCNC(=O)N1CC[C@H](NC(=O)Nc2cccc(C)c2Cl)C1 96474169 HEFWDOCYBJDMCU-NSHDSACASA-N 324.812 2.574 0 40 DFAB COc1ccccc1CN1CC2(C[C@@H](OCC3CC3)CCO2)C1 248149525 VDXZBHIMKHANHR-KRWDZBQOSA-N 317.429 2.855 0 40 DFAB O[C@H](CN[C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 249257234 GTJAXYJRYRWSDP-HZSPNIEDSA-N 308.388 2.544 0 40 DFAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@H]2CO)cc1 242677124 SYYUYBDVOFAIQA-RCCFBDPRSA-N 316.422 2.797 0 40 DFAB COc1c(F)ccc(F)c1C(=O)N1C[C@@H](C)Oc2ncccc21 252507918 WXABBJINLPIVRD-SECBINFHSA-N 320.295 2.796 0 40 DFAB OCCOc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 257332422 XXGSKEGUXXDBGT-OAHLLOKOSA-N 318.442 2.894 0 40 DFAB C[C@@H](CCc1ccc2c(c1)OCO2)N[C@@H](C)c1nccn1C 341708718 QIFVVUIWGSMTBL-STQMWFEESA-N 301.390 2.821 0 40 DFAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H]2NCCC[C@@]21C 257286493 PLUABMIXJVKWTD-APWZRJJASA-N 316.445 2.815 0 40 DFAB CCOCCCNC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 257173274 IDQFAGFPANEEJV-CQSZACIVSA-N 301.390 2.654 0 40 DFAB COc1nc(C)ccc1C(=O)N(c1nc(C)cs1)C1CC1 679028814 YOIGBAIZQBXPMB-UHFFFAOYSA-N 303.387 2.973 0 40 DFAB CN(Cc1nnc2ccccn12)C(=O)Cc1ccc(Cl)cc1 69461086 UXYPNQIUNDMENN-UHFFFAOYSA-N 314.776 2.584 0 40 DFAB O=C(COC1CCCC1)NCCc1c[nH]c2ccc(F)cc12 71909788 UVYKDRFKQFCGKD-UHFFFAOYSA-N 304.365 2.925 0 40 DFAB O=C(N[C@@H]1CC=CCC1)N1CCC(OC[C@H]2CCCCO2)CC1 78980302 HBXZEOSQUPGNNU-NVXWUHKLSA-N 322.449 2.855 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)NCCn1cnnc1C(C)C 78966422 OSWDIXOPJXHPPR-UHFFFAOYSA-N 311.389 2.621 0 40 DFAB Cc1nc(CN2CCn3c(nnc3-c3ccccc3)C2)cs1 76183980 DZWZQUOMFDBMLI-UHFFFAOYSA-N 311.414 2.726 0 40 DFAB c1cnc2[nH]cc(C3CCN(c4ccc5nccn5n4)CC3)c2c1 91456918 DVHIOYCKGRKJCZ-UHFFFAOYSA-N 318.384 2.990 0 40 DFAB Cc1ccc([S@](=O)C[C@H](O)COCc2ccccc2)cc1 5574349 DUBGSNRWQRGYBH-IERDGZPVSA-N 304.411 2.680 0 40 DFAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@](O)(C(=O)O)C[C@@]43C)[C@@H]1CC[C@@H]2O 5029313 FKKWIOKUFAJYAL-GQJRUFTLSA-N 322.445 2.816 0 40 DFAB O=c1[nH]c2ccccc2c(O)c1C1=NN[C@H](c2ccccc2)C1 5387605 WLQHIKFKXOGHCK-AWEZNQCLSA-N 305.337 2.672 0 40 DFAB Cc1ccc(C2=CCN(CC(=O)Nc3nccs3)CC2)o1 12114419 ABWIAJGCDZFAIP-UHFFFAOYSA-N 303.387 2.772 0 40 DFAB O=C(Nc1cccnc1)c1ccccc1I 13234628 CMBHFQAZWBQCRL-UHFFFAOYSA-N 324.121 2.939 0 40 DFAB CCc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13362422 WPHOAPVGCITTSY-UHFFFAOYSA-N 323.345 2.887 0 40 DFAB Cc1nc(CN2CCOC[C@H]2CC(=O)c2cccs2)oc1C 154383129 OQJWSLUYTPMQQA-CYBMUJFWSA-N 320.414 2.827 0 40 DFAB CC(C)(C)C(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8983048 DFHWVTSIAXJJQR-LLVKDONJSA-N 308.809 2.855 0 40 DFAB Cc1cccc(N2CCN(C(=O)N[C@@H](C)C3CC3)CC2)c1C 10082623 RKRNLHHYKFWLDT-HNNXBMFYSA-N 301.434 2.934 0 40 DFAB CN(C)CCCNC(=O)CCSc1ccc(Cl)cc1 13595948 QZCBRJIYUDBWAY-UHFFFAOYSA-N 300.855 2.890 0 40 DFAB O=C(CCSc1ccccc1)N1CC(Oc2cccnc2)C1 238959418 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2.692 0 40 DFAB CCn1cc([C@@H]2OCC[C@H]2CNCc2sc(C)nc2C)cn1 83843473 FYIMKOLRFWLOEZ-XJKSGUPXSA-N 320.462 2.844 0 40 DFAB CCc1nc(CNC[C@H]2CCO[C@@H]2c2cnn(CC)c2)cs1 83830337 LZXBLZMYHVVPJP-WBMJQRKESA-N 320.462 2.789 0 40 DFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccncc2)c(C)c1 8087203 VYIGALTZWVSHRT-UHFFFAOYSA-N 311.385 2.718 0 40 DFAB CNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 8135786 OBTBTGZVWVBNFC-UHFFFAOYSA-N 324.450 2.553 0 40 DFAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2cccs2)c1 70013732 MNHHKTMDPWAATQ-AWEZNQCLSA-N 303.431 2.877 0 40 DFAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 70011504 KMQHNHQOLGKEHQ-CQSZACIVSA-N 324.384 2.739 0 40 DFAB C[C@@H](c1cc(F)ccc1F)N(C)CC1CCN(CCO)CC1 69628444 ZFKUTTWFQQJXMI-ZDUSSCGKSA-N 312.404 2.662 0 40 DFAB O=C1CC2(CCCCC2)CC(=O)N1C[C@@H](O)c1ccccc1 72008213 IMXQUEPMAPMEMK-OAHLLOKOSA-N 301.386 2.820 0 40 DFAB CCCc1onc(C)c1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC 84758805 RWDXQHJRLAEFDL-OLZOCXBDSA-N 322.405 2.787 0 40 DFAB Clc1ccc2cccnc2c1CN[C@@H]1CCc2ncnn2C1 69948333 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CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CNC1 706306579 KCJJXLSZUGEWMB-UHFFFAOYSA-N 308.381 2.839 0 40 DFAB CCOCC(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 390835640 SZJNFMIQFCTAEI-UHFFFAOYSA-N 315.251 2.730 0 40 DFAB CCCCC(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575402318 AHAOFJRLTWPCNK-HNNXBMFYSA-N 320.458 2.875 0 40 DFAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 575403794 JSLILBNKXRMGJB-VNQPRFMTSA-N 307.434 2.609 0 40 DFAB Cc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)no1 585139950 KYZGXDFXINUTLI-CYBMUJFWSA-N 316.357 2.780 0 40 DFAB CO[C@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1F 585277620 JJEKKRUQASZHLP-PBHICJAKSA-N 303.381 2.628 0 40 DFAB O[C@@H]1[C@@H](CNC2CCOCC2)CCC[C@H]1Oc1cccc(F)c1 585287092 TUXTVJMDZSBUMC-FSPWUOQZSA-N 323.408 2.503 0 40 DFAB Cc1cccc2nc(COc3ccc(F)cc3F)cc(=O)n12 40493658 SJIYWSKEZIAEDC-UHFFFAOYSA-N 302.280 2.860 0 40 DFAB FC(F)(F)c1ccnc(N2CCN(c3ccccc3)CC2)n1 73859937 OOTKNHFMCVKSSB-UHFFFAOYSA-N 308.307 2.822 0 40 DFAB O=C(COc1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 12911163 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315.344 2.916 0 40 DFAB COc1ccc(CN(C)S(=O)(=O)Cc2ccc(F)cc2)cc1 25366901 DDQXMPQLGSVLGC-UHFFFAOYSA-N 323.389 2.796 0 40 DFAB C[C@H]1C[C@H](NC(=S)NC(=O)c2cccnc2)CC(C)(C)C1 1418821 TZMWOCSBMGREGS-AAEUAGOBSA-N 305.447 2.901 0 40 DFAB Cc1cc(NC(=O)CN[C@@H](c2ccccc2)c2ccccn2)no1 25418064 MJYLZYLPKXXJRN-SFHVURJKSA-N 322.368 2.696 0 40 DFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccccc2)CC1=O 7882120 IBXAYXMSDLJUEV-CRAIPNDOSA-N 322.408 2.913 0 40 DFAB COCCOC1CCN(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 108350020 YWWWNDDNLVMANB-OFQRWUPVSA-N 312.454 2.648 0 40 DFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(O)cc1F 97046565 LTTRFFCYNNFION-UHFFFAOYSA-N 316.332 2.620 0 40 DFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc3[nH]ccc13)CS2 58283307 KNEJEXMJSAAPKE-CZUORRHYSA-N 315.398 2.560 0 40 DFAB Cc1n[nH]c(C)c1NC(=O)NC[C@H](c1ccco1)N1CCCC1 44966510 OANPJKHHFFAZRA-CYBMUJFWSA-N 317.393 2.578 0 40 DFAB O=C(Cc1ccc(C(F)(F)F)cc1)NO[C@H]1CCCCO1 58330629 IPAYQANSJLINPP-ZDUSSCGKSA-N 303.280 2.822 0 40 DFAB CC(=O)CC(C)(C)NC(=O)CCN[C@@H](C)c1ccc(F)cc1 57460971 ABQCSAFWFCITRA-ZDUSSCGKSA-N 308.397 2.740 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1[C@@H](C(=O)NC(C)(C)C)[C@H]2C=C[C@H]1CC2 104185401 CTJANHPKWFNZAR-XUXIUFHCSA-N 306.450 2.644 0 40 DFAB O=C(NCCC(=O)N1CCC[C@H]1c1cccs1)c1ccco1 36350688 CWPPEWWIZIPHKS-LBPRGKRZSA-N 318.398 2.825 0 40 DFAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 10922506 KPQAJLCWBWLSLP-QGZVFWFLSA-N 323.396 2.914 0 40 DFAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OCCO)cc2)o1 28999959 LSQRESAEWRGYKZ-UHFFFAOYSA-N 324.336 2.861 0 40 DFAB COc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1F 45816895 BRVKSGQUASGHGV-UHFFFAOYSA-N 322.361 2.953 0 40 DFAB COc1ccc2c(c1)CN(CC(=O)NC1CCCCCC1)CC2 60042514 JZQKPVWOOUTAIL-UHFFFAOYSA-N 316.445 2.892 0 40 DFAB CCN(CC)[C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1 60161733 WLALDPZXIJGDFL-KRWDZBQOSA-N 305.466 2.526 0 40 DFAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cccc(O)c1 3234826 MRYRYVONMUOZRN-UHFFFAOYSA-N 313.353 2.598 0 40 DFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 2621676 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40 DFAB CCOc1ccc(Nc2ncccc2C(=O)NCCOC)cc1 17321624 ZJESXCFWSJAMTG-UHFFFAOYSA-N 315.373 2.600 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)N1C[C@H](C)O[C@@H](C)C1 17325465 VKZDVOQDLFGTLT-RYUDHWBXSA-N 300.358 2.899 0 40 DFAB CC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 83843735 YPRXFFKUTZWTDP-NVXWUHKLSA-N 315.417 2.837 0 40 DFAB C/C(=C\C(=O)NC[C@@H]1COCCO1)C12CC3CC(CC(C3)C1)C2 83812938 FXHPMMDDFNXOTE-BAVAQEJGSA-N 319.445 2.681 0 40 DFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@@H]1CCCO1 71901653 HFJZECJMFZXBPW-HNNXBMFYSA-N 314.389 2.790 0 40 DFAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S1 8985133 RVLFIKOIUSIFDF-ZDUSSCGKSA-N 319.430 2.663 0 40 DFAB CC(C)(C)OC(=O)N1CCN(C(=O)CC2=CCCCC2)CC1 84200389 QCDCFBSKPZCCEC-UHFFFAOYSA-N 308.422 2.956 0 40 DFAB Cn1cccc1[C@H]1COCCN1C(=O)Cc1c[nH]c2ccccc12 97144111 RSUODRCJWIPIFY-GOSISDBHSA-N 323.396 2.649 0 40 DFAB Cc1cccc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)n1 97142722 IBZLMXXTPZCFTH-LBPRGKRZSA-N 314.393 2.762 0 40 DFAB CC(C)OC(=O)c1cccnc1N1CC[C@H]2OCCC[C@@H]2C1 97140798 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CCO[C@@H]1C[C@@H](NC(=O)CCc2ccncc2)C12CCCC2 76067944 HQKOMHUJAOKRNT-HZPDHXFCSA-N 302.418 2.868 0 40 DFAB CCOC(=O)c1c(Br)cnn1CCC(F)(F)F 408717360 YVORRUXXHUOMFY-UHFFFAOYSA-N 315.089 2.775 0 40 DFAB CCc1cc2c(N[C@@H]3CCc4nnc(C)n4C3)ncnc2s1 65548321 LGVXTCMAYQFCFO-SNVBAGLBSA-N 314.418 2.581 0 40 DFAB CC(C)C(=O)NCCNC(=O)c1ccccc1Cc1ccccc1 36712787 WKOYIIBCYIZLKN-UHFFFAOYSA-N 324.424 2.779 0 40 DFAB CN1NC(=O)c2cc(-c3ccncc3)nn2C12CCCCCC2 73633230 LMDWMSHIGXPWIE-UHFFFAOYSA-N 311.389 2.542 0 40 DFAB Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1C 238881861 PKNMHISVSPKTSP-PMPSAXMXSA-N 304.390 2.761 0 40 DFAB Cc1ccc(NC(=O)CCn2cc(C)cn2)c(CN(C)C)c1 72841233 SPKJGRKQRGKMLX-UHFFFAOYSA-N 300.406 2.590 0 40 DFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)NC1CCC1 78663584 XXJLIWPIZACDBV-GFCCVEGCSA-N 302.296 2.591 0 40 DFAB CCN(CC)CCNC(=O)Cc1csc(-c2ccccc2)n1 31868293 CXCVCLLMURUVAD-UHFFFAOYSA-N 317.458 2.811 0 40 DFAB Cn1nccc1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 182767452 XMHWEIXRBRHMHK-LLVKDONJSA-N 319.233 2.732 0 40 DFAB CSC[C@H](CCO)NC(=O)Nc1ccc(F)c(Cl)c1 77659438 JQVPMUDVMDAHCZ-VIFPVBQESA-N 306.790 2.715 0 40 DFAB CC(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 72363477 OWJUEVNVODEBIE-GFCCVEGCSA-N 317.418 2.711 0 40 DFAB Cc1nnc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)s1 185483217 YLLGNROEDQJHJD-CYBMUJFWSA-N 302.403 2.563 0 40 DFAB CC(C)C[C@H]1COCCN1C(=O)Nc1cccc([S@@](C)=O)c1 77204044 ZNSJRSBJWUPDES-FPTDNZKUSA-N 324.446 2.703 0 40 DFAB CN(C)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 34338883 NJTVUDGJKBDXLV-OAQYLSRUSA-N 323.484 2.935 0 40 DFAB O=C(Nc1cccnc1N1CCC(CO)CC1)[C@@H]1CC=CCC1 79358678 IQMYIUDBMOHYJG-OAHLLOKOSA-N 315.417 2.585 0 40 DFAB CCc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)s1 41195043 UCIIXLTZISPICU-STQMWFEESA-N 315.460 2.643 0 40 DFAB Cc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)c1C 75163567 MTDZZVLOMLOHQY-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB COc1cc(C)c(CN[C@@H]2CCN3CCCC[C@H]23)cc1OC 83450493 JBIJADGSYQSMOG-HZPDHXFCSA-N 304.434 2.729 0 40 DFAB COc1ccccc1CCNC(=O)Cc1sc(C)nc1C 41179632 UPWGFLPZYXFBCC-UHFFFAOYSA-N 304.415 2.670 0 40 DFAB C[C@H]1CCCN(CCCNC(=O)CCc2ccc(F)cc2)C1 46960298 OYDLFBBBPKNKNW-HNNXBMFYSA-N 306.425 2.997 0 40 DFAB C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CNC(=O)OC(C)(C)C 81425645 UDADMWPLCFNTHB-OCCSQVGLSA-N 321.421 2.780 0 40 DFAB O=C1OC[C@@H]2CCN(Cc3cccnc3)Cc3ccccc3N12 225482148 ZAHIVWLSLRJYRO-INIZCTEOSA-N 309.369 2.813 0 40 DFAB biogenic,in-vitro O=C(Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1)C1CC1 95473434 BVTRNQHNIZEJKC-UHFFFAOYSA-N 309.373 2.810 0 40 DFAB COc1cc(CNC(=O)[C@@H]2SCCc3ccccc32)ccn1 96430518 NXPGJUIRXIXYAE-MRXNPFEDSA-N 314.410 2.737 0 40 DFAB CCn1nc(C)c(CNC(=O)c2cccnc2NC(C)C)c1C 96436321 PTLFYXPRORPJDK-UHFFFAOYSA-N 315.421 2.665 0 40 DFAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cn[nH]c1 96413066 PQMWPVYAUJFDQQ-TVQRCGJNSA-N 308.769 2.961 0 40 DFAB O=C1[C@H](SC[C@H](O)c2ccccc2)CCN1CC(F)(F)F 96410872 AVXSSRXGAKGRQN-NWDGAFQWSA-N 319.348 2.616 0 40 DFAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1oc2ccccc2c1C 96041956 LXRFYTSIEZPHEE-JLJPHGGASA-N 315.369 2.760 0 40 DFAB CCn1c(CN(C)Cc2noc(C3CC3)n2)nc2ccccc21 96455334 MMGGOHCVUWVCEO-UHFFFAOYSA-N 311.389 2.949 0 40 DFAB CC(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404770 OSFBLEHQCIVLOV-QZTJIDSGSA-N 324.424 2.832 0 40 DFAB COC[C@@H]1CN(Cc2ccco2)Cc2ncn(CC3CC3)c21 96060262 MRWFEJFKONQEOI-AWEZNQCLSA-N 301.390 2.632 0 40 DFAB COC(=O)CCCC(=O)Nc1nc2cc(Cl)ccc2n1C 97236587 RUJOELQHCYIMIS-UHFFFAOYSA-N 309.753 2.509 0 40 DFAB Nc1c(Br)cc(F)cc1I 95803126 HYEJNFQHBOTZRD-UHFFFAOYSA-N 315.911 2.775 0 40 DFAB N[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701862 WOMREOFYIYODBP-RBSFLKMASA-N 307.802 2.607 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2CCc2ccncc2)n1 257306108 SSYDGTBWTPMIDB-QGZVFWFLSA-N 312.417 2.519 0 40 DFAB CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(C)c(F)c1)CC2 257224490 FBZXGKIACVWHHH-MRXNPFEDSA-N 321.392 2.934 0 40 DFAB CS(=O)(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 255189341 PFIJMYKIWZVKAR-UHFFFAOYSA-N 300.335 2.864 0 40 DFAB O=C(c1ccccn1)N1CCC(c2csc3nccn23)CC1 257295923 RALQLUWWPDTOFD-UHFFFAOYSA-N 312.398 2.811 0 40 DFAB CO[C@H]1CCCOC12CCN(C(=O)c1ccc(C)cc1)CC2 257264162 LTEHKECGZYAIBV-INIZCTEOSA-N 303.402 2.795 0 40 DFAB COc1ccc(OC)c(C(=O)c2ccc(OC)c(OC)c2)c1 95916703 WFGMGLPKKJKSLS-UHFFFAOYSA-N 302.326 2.952 0 40 DFAB CN(C)Cc1cccc(CNC(=O)c2ccnc(C3CC3)c2)c1 390834340 WOWOUXDOECSQLY-UHFFFAOYSA-N 309.413 2.951 0 40 DFAB CC(C)CO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 585141421 ULOAAZYNAOJRPO-HIFRSBDPSA-N 317.389 2.531 0 40 DFAB CC(C)(C)CC(=O)NCCCn1cc(Br)cn1 28227623 FSXDBUYSIGICLX-UHFFFAOYSA-N 302.216 2.588 0 40 DFAB CC(=O)N[C@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 30201056 HPYVLZYMJXBZNG-SNVBAGLBSA-N 312.797 2.838 0 40 DFAB C[C@@H](NC(=O)NCCOc1ccc(F)cc1F)c1ccncc1 72270041 IVEQHEAJVXRXQE-LLVKDONJSA-N 321.327 2.799 0 40 DFAB Cc1cc2c(=O)[nH]c(Cc3ccc4c(c3)OCO4)nc2s1 48303236 SJJLLQNYXYEJQT-UHFFFAOYSA-N 300.339 2.613 0 40 DFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 53894368 SYUFWRSDUDYOQM-JTQLQIEISA-N 318.373 2.502 0 40 DFAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCSCC1 60061359 LJOCIHMJXIPMTO-OAHLLOKOSA-N 322.449 2.613 0 40 DFAB Cc1cccc(CC(=O)N2CCCN([C@H]3CCSC3)CC2)c1 1565522028 HPFUYCHKUDLZQG-KRWDZBQOSA-N 318.486 2.577 0 40 DFAB Cc1ccc(CC(=O)Nc2ccn(Cc3ccncc3)n2)s1 84205417 ABDFMVJPIYVRHH-UHFFFAOYSA-N 312.398 2.878 0 40 DFAB COc1ccc2cc(-c3csc(NC(C)=O)n3)c(=O)oc2c1 193096 AGBDCOSHNJQERO-UHFFFAOYSA-N 316.338 2.884 0 40 DFAB COc1cc(C(=O)Nc2ccc(Br)cc2F)on1 90609977 CNINQOSZVWNVHO-UHFFFAOYSA-N 315.098 2.837 0 40 DFAB CCN(CC)C(=O)Cn1c(=O)c2ccccc2n1-c1ccccc1 5452818 PTEJJXQKEOFCOW-UHFFFAOYSA-N 323.396 2.661 0 40 DFAB Cc1cc2c(cc1CN(C)Cc1n[nH]c3c1CCCC3)OCO2 12147144 YZECCNOXLZWKPV-UHFFFAOYSA-N 313.401 2.958 0 40 DFAB COc1cccc(-c2cc(CC(=O)N3CCCCC3)no2)c1 12864946 YCEYKZBGUROJJW-UHFFFAOYSA-N 300.358 2.905 0 40 DFAB CC(=O)O[C@@H](CC/C(C)=C\CO[C@@H]1CCCCO1)C(C)(C)O 1635736 FHNUCPDIWSTPBU-WLDSXTBVSA-N 314.422 2.959 0 40 DFAB CCC1=C(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCO1 583621335 RKYGYGBQCHZNPM-ZBFHGGJFSA-N 319.376 2.935 0 40 DFAB c1cnc(OCC2CCN(Cc3cc(C4CC4)on3)CC2)cn1 1849602372 RGJNZJVWGKUPQO-UHFFFAOYSA-N 314.389 2.633 0 40 DFAB O=C([C@@H]1CN(Cc2ccc(Cl)cc2)CCO1)N1CCCCC1 1888849762 GWFVADLTFHXJPY-INIZCTEOSA-N 322.836 2.553 0 40 DFAB Cc1nnc(N2CCC(COc3ccncc3C)CC2)s1 1889090339 GXAWEODJMHKXOX-UHFFFAOYSA-N 304.419 2.845 0 40 DFAB O=C(Cc1ccccc1)N1CCc2nc3ncccc3cc2C1 2087044521 YJPDCASNPLYXPX-UHFFFAOYSA-N 303.365 2.757 0 40 DFAB CCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC 429382 FHTBALYXGWLJEL-UHFFFAOYSA-N 308.403 2.659 0 40 DFAB O=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 4275988 YFMXPTBQTPJQLO-UHFFFAOYSA-N 313.288 2.893 0 40 DFAB Cc1cc(C)cc(NC(=O)c2cnc3sc(C)cn3c2=O)c1 4517307 LVONEQGTBLNWDH-UHFFFAOYSA-N 313.382 2.934 0 40 DFAB O=C(NC[C@H]1CCCO1)c1csc(Nc2ccccc2)n1 23136761 NBMNQTQSJQDCHA-GFCCVEGCSA-N 303.387 2.796 0 40 DFAB COc1cc2c(cc1OC)CN(c1ncnc3cc(C)[nH]c13)CC2 2086864738 FRSOYOXRMTZSSS-UHFFFAOYSA-N 324.384 2.846 0 40 DFAB CCOC(=O)N[C@H](CNC(=O)Cc1cccs1)CC(C)C 40090516 VUZCOEAUEGONJY-LBPRGKRZSA-N 312.435 2.568 0 40 DFAB Cc1cc(C(=O)NCCOc2ccc3c(c2)OCO3)c(C)s1 40121765 NSIJTHRWYUNZLJ-UHFFFAOYSA-N 319.382 2.902 0 40 DFAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCO1 40535176 OSCYOHLGSOUPQW-GWCFXTLKSA-N 312.207 2.675 0 40 DFAB CS(=O)(=O)c1cccc(Oc2ncnc3sccc23)c1 40555546 LRYQUVGCWCZICQ-UHFFFAOYSA-N 306.368 2.887 0 40 DFAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(N2CCOC2=O)cc1 40525105 CCFCDELOLDNAMH-LBPRGKRZSA-N 314.341 2.597 0 40 DFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nccn1C 32859635 KHNZVBPJROKTMA-SECBINFHSA-N 321.368 2.702 0 40 DFAB Cc1ccoc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 21669202 UNHLKCQZSAIZMS-UHFFFAOYSA-N 309.325 2.805 0 40 DFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)c1ccc(Cl)cc1 32907272 KOTVPDCOHJLAJS-MJBXVCDLSA-N 307.777 2.549 0 40 DFAB Cc1nnc2sc(-c3cccc(NC(=O)C(C)C)c3)nn12 558313 PFDIQMAJBIRIFV-UHFFFAOYSA-N 301.375 2.756 0 40 DFAB CCOC(=O)c1cc2cc(I)ccc2[nH]1 33426790 KHKBULWACPNHSH-UHFFFAOYSA-N 315.110 2.949 0 40 DFAB O=C(c1sccc1Br)N1CCO[C@H]2CCC[C@H]21 53385283 JCFKXVVFVNIORL-ZJUUUORDSA-N 316.220 2.904 0 40 DFAB NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 184389 VCCBMCRDPQVOBY-RCOVLWMOSA-N 316.308 2.704 0 40 DFAB CCN(CCNC(=O)c1ccc2[nH]nnc2c1)c1cccc(C)c1 12548154 QKZRCUKLNQRQFW-UHFFFAOYSA-N 323.400 2.523 0 40 DFAB Cc1ccccc1CCNC(=O)C[S@](=O)Cc1ccccc1 78556022 DEZGRUYBCVXYIX-QFIPXVFZSA-N 315.438 2.603 0 40 DFAB COc1cccc(N2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)C2)c1 106645762 GISGABLSVYRIQG-HZPDHXFCSA-N 314.429 2.994 0 40 DFAB Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 25571857 JJQKBCIECKEMBR-UHFFFAOYSA-N 308.385 2.591 0 40 DFAB O=C(NC1CC1)c1ccc(CN(C(=O)c2ccco2)C2CC2)cc1 26105992 RFIIIZDDLROOGX-UHFFFAOYSA-N 324.380 2.977 0 40 DFAB CCn1c(SCC(=O)NCCC(C)C)nnc1-c1ccco1 7737139 VIKITRXQVGMTES-UHFFFAOYSA-N 322.434 2.812 0 40 DFAB CSC[C@](C)(O)CNC(=O)Nc1ccccc1C(F)(F)F 75143734 JWNBCOUMXCTTCO-GFCCVEGCSA-N 322.352 2.941 0 40 DFAB CCOC(=O)c1cnc2ccc(F)cc2c1NCCCN(C)C 1913367 BVYYKKHUQGRWNX-UHFFFAOYSA-N 319.380 2.914 0 40 DFAB COCC[C@H](Nc1cncc(-n2cccn2)n1)c1ccc(C)o1 95465743 ACDXFRLSHSYDLB-ZDUSSCGKSA-N 313.361 2.753 0 40 DFAB CN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(F)(F)F 58217413 SIBZUCNIZVHYHT-SNVBAGLBSA-N 301.312 2.921 0 40 DFAB C[C@H](Cn1cccn1)NC(=O)c1sccc1Br 44951837 WRKQUXZPBQCOEZ-MRVPVSSYSA-N 314.208 2.526 0 40 DFAB CN1CCN(c2ccc(C(=O)N(C)C3CCCC3)cc2F)CC1 58355516 QYQCVTWASZATLV-UHFFFAOYSA-N 319.424 2.592 0 40 DFAB COc1ccccc1-n1nc(CSc2nccn2C)cc1O 9939776 LDABNYMGZHKRSU-UHFFFAOYSA-N 316.386 2.612 0 40 DFAB c1coc([C@H](CNc2cncc(-n3cccn3)n2)N2CCCC2)c1 58407033 NHHDBDVMVMEDCJ-AWEZNQCLSA-N 324.388 2.504 0 40 DFAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c1 3470781 MCDWJIMUBGGEKF-UHFFFAOYSA-N 304.733 2.839 0 40 DFAB CC(=O)c1c(SCCCOc2ccccc2)nc(=O)[nH]c1C 10916284 NAHRCWGDNKDPKK-UHFFFAOYSA-N 318.398 2.842 0 40 DFAB COc1cc(OC)cc(C(=O)N2CCn3cccc3[C@H]2C)c1 29379089 YPGLAMVYAOICQP-GFCCVEGCSA-N 300.358 2.722 0 40 DFAB Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCNCC3)n2)cc1 2554505 SMOKNAVZPBFUEN-UHFFFAOYSA-N 322.334 2.880 0 40 DFAB Cc1cccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 12235285 KPFCPDMOZJKEPE-UHFFFAOYSA-N 320.396 2.834 0 40 DFAB Cn1c(Cn2cnc3ccccc3c2=O)nc2cc(Cl)ccc21 47368433 PVYGSTNVAVKFRS-UHFFFAOYSA-N 324.771 2.985 0 40 DFAB CC(C)NC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61719944 OBKVLYMXVHDYMQ-UHFFFAOYSA-N 320.776 2.746 0 40 DFAB O=C(NCc1ccncc1)c1ccc(N2CCCCC2=O)cc1 48278439 TUJWKADYUZGCKX-UHFFFAOYSA-N 309.369 2.529 0 40 DFAB C[C@]1(C(=O)N2CCc3ccccc3C2)Cc2ccccc2C(=O)O1 12772111 AHXFBEACMPRYPU-HXUWFJFHSA-N 321.376 2.743 0 40 DFAB CCN(C[C@@H](O)c1cccc(O)c1)C(=S)Nc1cccnc1 3369343 NYOZSZYKXWHRNC-OAHLLOKOSA-N 317.414 2.540 0 40 DFAB CC(=O)N(CCCNC(=O)Cc1ccc(Cl)cc1)C(C)C 48317003 DJZWQPAZIPWNGJ-UHFFFAOYSA-N 310.825 2.646 0 40 DFAB c1ccc(-n2nnnc2NCCc2c[nH]c3ccccc23)cc1 3427812 SCIQXXCHPHFKRY-UHFFFAOYSA-N 304.357 2.798 0 40 DFAB CCC1=C(C(=O)OC)[C@@H](/C=C/c2ccccc2)n2ncnc2N1 10272188 RIGFCYNDCGECPB-ATWMFIQVSA-N 310.357 2.795 0 40 DFAB CCCCC(=O)N[C@@H](CC(=O)O)c1ccc(OC)c(OC)c1 13257094 RACKYVQWFHDPIX-LBPRGKRZSA-N 309.362 2.526 0 40 DFAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCO2 49547507 CSGILMUNFNNQOX-ZDUSSCGKSA-N 303.343 2.573 0 40 DFAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1cccs1 6064086 LBRFOTKMXRJKHW-LLVKDONJSA-N 318.398 2.963 0 40 DFAB N=C1SCC(=O)N1c1ncc(Cc2ccccc2F)s1 5001304 MMUFNCSCFMVOCD-UHFFFAOYSA-N 307.375 2.888 0 40 DFAB CCNC(=O)c1cccc(NC(=O)c2cccc(COC)c2)c1 14094061 WEHWDEBNNRNBIB-UHFFFAOYSA-N 312.369 2.835 0 40 DFAB COc1ccc([C@H](CC(=O)Nc2ccccc2)NC(C)=O)cc1 14077044 KGUMITVNYGBBSU-KRWDZBQOSA-N 312.369 2.901 0 40 DFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)cc1 14019879 UCLNSIWLSUDCNW-UHFFFAOYSA-N 319.382 2.741 0 40 DFAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 19736185 WTLBRTNKEQTJBJ-LBPRGKRZSA-N 300.358 2.992 0 40 DFAB COc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1O 65513069 UFEFPYMMZBYZCH-UHFFFAOYSA-N 313.762 2.855 0 40 DFAB O=C(Nc1cccc(N2CCCC2)c1)C(=O)NC1CCCCC1 65595559 BJAFIKPYCSPHFS-UHFFFAOYSA-N 315.417 2.674 0 40 DFAB O=C(NCc1ccc(O)cc1)c1csc(-c2ccccn2)n1 65514899 FVKRHVWQPSGLBE-UHFFFAOYSA-N 311.366 2.841 0 40 DFAB CCN(CC(=O)NC(C)C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 6859411 OOTJIXAFTCKZJA-GFCCVEGCSA-N 322.474 2.860 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1 68371380 HRRHLRFZLZBEDA-UHFFFAOYSA-N 324.424 2.757 0 40 DFAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2N1 7417147 BANOCBYMYBHZCK-UHFFFAOYSA-N 320.345 2.511 0 40 DFAB CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 7709537 WQMIVARAKWJWLU-UHFFFAOYSA-N 323.345 2.803 0 40 DFAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cn1 71841381 XUUSYYZJCAABSB-SOUVJXGZSA-N 301.415 2.949 0 40 DFAB Cc1cnn(CCNC[C@@H](O)c2ccccc2C(F)(F)F)c1 70006388 QZCCPAQVZCOPLM-CQSZACIVSA-N 313.323 2.534 0 40 DFAB Nn1c(SCCCOc2ccccc2)nnc1C(F)(F)F 70040628 CKHGJMOIMNKYCL-UHFFFAOYSA-N 318.324 2.572 0 40 DFAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[C@@H](N)C1 91547341 HILXBFQHCDGUIB-ZYHUDNBSSA-N 311.223 2.535 0 40 DFAB Cc1c([C@H](C)NC(=O)c2csnn2)cnn1-c1ccccc1 69514290 ZCYACABBYXAUQD-JTQLQIEISA-N 313.386 2.523 0 40 DFAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Br)s1 19391805 MJMFRQCXEYHBCE-ZETCQYMHSA-N 318.192 2.590 0 40 DFAB Cc1cc(NC(=O)c2ccc(Br)cc2F)n(C)n1 19488536 AAYQPQFXTSTECT-UHFFFAOYSA-N 312.142 2.882 0 40 DFAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)o3)cc2)CC1 9154227 NWVAVMOAIIWCFD-UHFFFAOYSA-N 313.401 2.982 0 40 DFAB CC(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 97081594 SSGFNFXXEUZDMY-LKFCYVNXSA-N 314.788 2.817 0 40 DFAB CCCn1c(C)nnc1CN[C@H](C)c1ccc2c(c1)OCCO2 97033013 KEHITLPOCGIPSR-GFCCVEGCSA-N 316.405 2.619 0 40 DFAB CC[C@@H]1C[C@H](C(=O)Nc2ncnc3[nH]c(C)c(C)c23)CCO1 97084575 UICGSTSBBFKOCR-VXGBXAGGSA-N 302.378 2.718 0 40 DFAB CN(C)CCN(CC1CCCCC1)C(=O)CC1(O)CCCC1 72289508 VSGIMDARGJESTL-UHFFFAOYSA-N 310.482 2.652 0 40 DFAB CN(C(=O)c1cc(F)c(O)c(F)c1)[C@H](CCO)c1ccccc1 97140505 PAXVWAALEAIKIU-OAHLLOKOSA-N 321.323 2.866 0 40 DFAB COc1ccc(OC(C)C)c(NC2CCN(C(C)=O)CC2)c1 95983062 HLKGHQKXPPFQEE-UHFFFAOYSA-N 306.406 2.905 0 40 DFAB COc1cc(CN[C@@H]2CCCC[C@@H]2C(N)=O)ccc1SC 97375131 VTWFZIXVIQVLPA-QWHCGFSZSA-N 308.447 2.551 0 40 DFAB CN(C)CCN1CCC(N[C@H]2CCCc3sccc32)CC1 89314322 ONIDLISIKWGMSR-INIZCTEOSA-N 307.507 2.741 0 40 DFAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1C[C@H]1c1cccnc1 84613310 WAVWJWJJATYOCF-RYUDHWBXSA-N 323.381 2.737 0 40 DFAB CCN(CC)C(=O)COc1cccc(NC(=O)C2=CCCC2)c1 95414633 DSPCLNSHMXMPNA-UHFFFAOYSA-N 316.401 2.983 0 40 DFAB Cc1cc([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)n[nH]1 76060060 MWXILISFVHFSBI-HUUCEWRRSA-N 300.406 2.877 0 40 DFAB CC(C)NC(=O)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306138241 RTBLQFRQHFNVNB-GFCCVEGCSA-N 301.365 2.845 0 40 DFAB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 408620856 KHUPHFBEMOUTAM-WGGGBPLMSA-N 313.784 2.893 0 40 DFAB Cn1ccc2ccc(NC(=O)N3CCCC4(C3)OCCO4)cc21 179752740 JCWIOKXKHKBKEP-UHFFFAOYSA-N 315.373 2.549 0 40 DFAB O=C(CNCc1ccco1)Nc1ccccc1N1CCCCC1 35311436 UDKDPCYOVCZVMG-UHFFFAOYSA-N 313.401 2.998 0 40 DFAB CCn1c(NCc2c(C)nn(C)c2OC)nc2cc(F)ccc21 128919784 ODCJSHZAYWLIER-UHFFFAOYSA-N 317.368 2.858 0 40 DFAB COc1ccccc1NC(=O)NC[C@](C)(O)c1ccsc1 77512488 JGIKKXLCMPPUFK-HNNXBMFYSA-N 306.387 2.786 0 40 DFAB Cc1ccc(C)c(-n2ncc(N[C@H](C)CS(C)(=O)=O)c2C)c1 181237419 WIWXBMWNVVDFKY-CYBMUJFWSA-N 321.446 2.643 0 40 DFAB CC[C@@H]1c2ccccc2CCN1C(=O)c1nccn2ccnc12 73678750 GNKZFJZWJJXZMD-OAHLLOKOSA-N 306.369 2.879 0 40 DFAB Cn1cccc1CNC(=O)CCc1ncc(-c2ccccc2)o1 75352382 RKFNPYOSJQONSF-UHFFFAOYSA-N 309.369 2.929 0 40 DFAB O=C(Nc1ccccc1F)[C@H]1CCCN(C(=O)N2CCCC2)C1 36398371 URXUOYIKLJEYCI-ZDUSSCGKSA-N 319.380 2.692 0 40 DFAB Cc1cc(C)n(-c2ncc(NC(=O)c3cccc(F)c3)cn2)n1 75161642 UCNXJCFTCCVASQ-UHFFFAOYSA-N 311.320 2.671 0 40 DFAB CO[C@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1N 226817751 AYBILSLODJMOOW-HOTGVXAUSA-N 306.793 2.566 0 40 DFAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1COc2ccccc2O1 222841999 UZCWGJKSUWRIQL-QGZVFWFLSA-N 311.381 2.964 0 40 DFAB O=C(NCc1nccc(N2CCCCC2)n1)C1CCCCC1 224158131 CNZQASMWVFRXMM-UHFFFAOYSA-N 302.422 2.663 0 40 DFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 45952585 CNIUKKUYXLZYGE-MRVPVSSYSA-N 302.157 2.909 0 40 DFAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1C 223914320 NSVASSMEIAILFL-MGPQQGTHSA-N 309.431 2.779 0 40 DFAB Cc1ncc(NC(=O)N2C[C@@H](C)OC3(CCC3)C2)c(C2CC2)n1 572999448 XKWFURSIRUUAMO-LLVKDONJSA-N 316.405 2.838 0 40 DFAB O=C(Nc1ccc(F)cc1)Nc1cnc(N2CCCC2)nc1 224261909 CVNOXCZRIULSPX-UHFFFAOYSA-N 301.325 2.860 0 40 DFAB Cc1ccccc1C[C@H](C(=O)O)N1CCN(c2ccccc2)CC1 225140909 VEQWZMVNHDKMEQ-LJQANCHMSA-N 324.424 2.813 0 40 DFAB O=C(c1ccccc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 49171045 OTRDGJSXTDIJPS-HNNXBMFYSA-N 320.352 2.761 0 40 DFAB biogenic,in-vitro COC(=O)[C@@H](CCCCN[Si](C)(C)C)N[Si](C)(C)C 195807543 XNNSMELHXVUNMU-GFCCVEGCSA-N 304.583 2.547 0 40 DFAB c1cc(CO[C@H]2CO[C@@]3(CCCN(C4CCC4)C3)C2)ccn1 96107320 OYMWNBPGCGBAOV-MSOLQXFVSA-N 302.418 2.774 0 40 DFAB CO[C@@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1Cc1ccccc1 96261258 ZXHLZEGTLMQIJV-ZWKOTPCHSA-N 310.397 2.862 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1 93561028 IDHFRYXYPRVBHW-CZUORRHYSA-N 301.390 2.709 0 40 DFAB Cc1nc(CN2C[C@@H]3CN(CC4CCCC4)C[C@@H]3C2=O)cs1 96245131 ZFENTGVNYCWGEE-HOCLYGCPSA-N 319.474 2.532 0 40 DFAB CCc1ccc(CN2CCN(C(=O)c3cscn3)CC2)s1 96414527 JOGGDJANQZDSGH-UHFFFAOYSA-N 321.471 2.725 0 40 DFAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCc2ccccn2)C1 96455380 MXYVLDJECSTSRL-HNNXBMFYSA-N 305.422 2.565 0 40 DFAB C[C@H]1CN2CCC[C@@H]2CN1C[C@H](C)Cc1ccc2c(c1)OCO2 249691146 LDARSZITWJJGDR-HLLBOEOZSA-N 316.445 2.762 0 40 DFAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCOCC1CC1 248041541 OZHOYFUVLIBMJR-HNNXBMFYSA-N 322.474 2.859 0 40 DFAB CC(=O)N1CC[C@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257216171 CTKWIPSMTRRMMN-OAHLLOKOSA-N 324.380 2.858 0 40 DFAB O=C(CC1CCCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776007967 PJJJEYPLIGWVRS-UHFFFAOYSA-N 321.396 2.956 0 40 DFAB O=C(Nc1nccs1)[C@H]1CC(c2ccc(Cl)s2)=NO1 48626800 VTPJVHMZEDESHB-SSDOTTSWSA-N 313.791 2.990 0 40 DFAB O=C(NCc1nnc2ccccn12)Nc1ccc2c(c1)CCC2 53976695 SWMVZMPAFPRQTH-UHFFFAOYSA-N 307.357 2.540 0 40 DFAB CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCc2c1cnn2C 59321668 UQNGSMGOWMICRG-HNNXBMFYSA-N 316.380 2.778 0 40 DFAB CCc1cc(CNC(=O)c2ccc3[nH]c(=S)oc3c2)n[nH]1 73613762 WEDNAVFNNCEXIS-UHFFFAOYSA-N 302.359 2.706 0 40 DFAB Cc1cc(C)cc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 77874130 MOMJXQMCNPUWEU-RBUKOAKNSA-N 324.424 2.803 0 40 DFAB O=C(CN1CC[C@@H](Nc2ccccc2)C1)NCC1CCCCC1 76756338 WRSNXCCQRJBRNR-GOSISDBHSA-N 315.461 2.869 0 40 DFAB CCCC[C@@H](Nc1nc(N)c2cnn(C)c2n1)c1cccnc1 1529186216 AYAYOWFYJDQVGX-CYBMUJFWSA-N 311.393 2.684 0 40 DFAB CCOC(=O)N1Cc2cc3ccccc3nc2[C@H]1CC(=O)O 5104218 DCCSZVXEOMMZCI-CYBMUJFWSA-N 300.314 2.723 0 40 DFAB COc1cc2oc(=O)c(CC(=O)NC3CC3)c(C)c2cc1Cl 5306652 SGEIEXWGBWZCFT-UHFFFAOYSA-N 321.760 2.585 0 40 DFAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC(C)(C)C 5537597 JFXZYXHPOWIGGH-UHFFFAOYSA-N 316.357 2.722 0 40 DFAB O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccccn1 12086934 JLIKLOYPSUQOSY-INIZCTEOSA-N 324.380 2.884 0 40 DFAB CCc1c(C)n(C[C@H]2CCCO2)c2nc3ccccc3n2c1=O 14165387 DQQUPYIXPUKHQY-CYBMUJFWSA-N 311.385 2.699 0 40 DFAB C[C@H](NCCN1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 156649711 PBNCDAAJHIVXRQ-CVEARBPZSA-N 313.449 2.792 0 40 DFAB CO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1Cc1cccc(F)c1 643914188 NXTPCEFCFOCXGO-SJLPKXTDSA-N 317.408 2.639 0 40 DFAB O=C(CSC1CCCC1)N1[C@H]2CC[C@H]1c1cncnc1C2 245070498 QMLMLPJHQORKJR-NHYWBVRUSA-N 303.431 2.741 0 40 DFAB C[C@@H](OC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(N)=O 5108761 OOYUHQYLVSJDSD-SNVBAGLBSA-N 310.309 2.525 0 40 DFAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1 13926417 GDXNLSBTCKKHNF-DHDCSXOGSA-N 310.309 2.891 0 40 DFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1 3096177 WZIMNKPEJGJVQE-UHFFFAOYSA-N 317.794 2.649 0 40 DFAB O=C1Nc2ccc(Br)cc2[C@]1(O)c1ccc(F)cc1 4722649 XMUUKICISYQMLI-CQSZACIVSA-N 322.133 2.776 0 40 DFAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccc(C(C)(C)C)nn2)C1 2086881978 PWDXXQAXKLKALX-GFCCVEGCSA-N 304.438 2.515 0 40 DFAB c1ccc(CCNc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 2298086972 WMXDCNPKZWMHBA-OAHLLOKOSA-N 323.400 2.660 0 40 DFAB Cc1ccc(CNC(=O)c2cccc(Nc3ncccn3)c2)cn1 32937130 UCFVPYREPPZRMM-UHFFFAOYSA-N 319.368 2.854 0 40 DFAB Cc1cccc(NC(=O)[C@H](C)N2CCN(c3ccccn3)CC2)c1 23674045 KEBCTIYHGCPSKY-INIZCTEOSA-N 324.428 2.539 0 40 DFAB COc1nc(Nc2cccc(C(F)(F)F)c2)nc(OC)n1 67018 FOFJJVCMOAAAQZ-UHFFFAOYSA-N 300.240 2.651 0 40 DFAB O=S1(=O)CCN2C(=N1)Sc1cc(SC(F)F)ccc12 90074 QTPLQBGZOPWYTF-UHFFFAOYSA-N 322.383 2.613 0 40 DFAB CCc1cc2c(=O)n([C@H](C)C(=O)O[C@@H](C)CC)cnc2s1 148842 AUMBZLVWPXODJN-VHSXEESVSA-N 308.403 2.923 0 40 DFAB CC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 318445 OUWJMLWHDHFJKR-VIFPVBQESA-N 303.328 2.695 0 40 DFAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC1CCCCC1 425337 CMOUYBYKFLRRNF-UHFFFAOYSA-N 317.414 2.508 0 40 DFAB CC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 569646 JISNNXMFXLZJPF-UHFFFAOYSA-N 307.158 2.525 0 40 DFAB COc1ccc(CCC(=O)Oc2ccc3c(c2)OCO3)cc1 2648686 UVGDHAOVIDQLKE-UHFFFAOYSA-N 300.310 2.962 0 40 DFAB CCn1ncc(Br)c1C(=O)N1CCC(C)CC1 2781182 IRONESMWJNOZMZ-UHFFFAOYSA-N 300.200 2.538 0 40 DFAB Cc1nn(C)cc1-c1nnc([C@@H](C)n2ncc(Cl)c2C)o1 2787608 SXENBLNLZREXCN-SECBINFHSA-N 306.757 2.546 0 40 DFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H]1CCCO1 3399487 LADKONDECVGBSP-FZMZJTMJSA-N 301.342 2.770 0 40 DFAB COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H]3CCC[C@@H]3N1CC2 4759855 GFMRLSXLFYOCEG-VHDGCEQUSA-N 301.386 2.745 0 40 DFAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)CC(=O)N2 4944164 SGKJJVGHYCOQNG-LLVKDONJSA-N 315.398 2.746 0 40 DFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc2c(s1)CCCC2 5101172 RZNRCIQHDLGKBF-DTVLGXAZSA-N 320.414 2.707 0 40 DFAB COc1ccc(NC(=O)Cn2cnc3ccccc32)cc1OC 5198961 CZBDBSUYCGJHAQ-UHFFFAOYSA-N 311.341 2.692 0 40 DFAB Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCO)c12 6764561 SUSMGUNAFAMABI-UHFFFAOYSA-N 310.401 2.695 0 40 DFAB COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1 7380606 BXHVTFQXKOEFEN-OAHLLOKOSA-N 312.413 2.832 0 40 DFAB c1ccc2c(c1)OC[C@H](CSc1nnnn1C1CCCC1)O2 8231903 VJECRSYGQQGHPN-GFCCVEGCSA-N 318.402 2.720 0 40 DFAB Cc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)s1 8340498 MZPVOOFOFBUTSQ-GFCCVEGCSA-N 303.383 2.918 0 40 DFAB Cc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1C 8503827 GZZPGZXHBQQTJC-LLVKDONJSA-N 317.414 2.887 0 40 DFAB Cc1ccc2c(CC(=O)NCc3nnc4ccccn34)coc2c1 8724124 JAZYEFLCVMRWJY-UHFFFAOYSA-N 320.352 2.643 0 40 DFAB O=C1[C@@H]2C[C@@H](CN2Cc2ccccn2)N1c1ccccc1Cl 11913051 HJLMKEDIKXXAFD-BBRMVZONSA-N 313.788 2.725 0 40 DFAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1N 12601023 TTXMUZMDHOFHOC-NORZTCDRSA-N 318.417 2.675 0 40 DFAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 12747573 DHDTXGNNFTUALF-JTQLQIEISA-N 314.316 2.648 0 40 DFAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccs1 14235485 KKDCDBZPYMGQJA-LLVKDONJSA-N 303.387 2.575 0 40 DFAB COc1cc(NC(=O)c2ccccc2C(=O)O)cc(OC)c1 18196509 VZCBWTXIVGHQOQ-UHFFFAOYSA-N 301.298 2.654 0 40 DFAB Oc1ccccc1-c1nc2cnccn2c1NC[C@@H]1CCCO1 19368280 SWIWSBCBJKWQMA-LBPRGKRZSA-N 310.357 2.693 0 40 DFAB COc1ccc(N)cc1NC(=O)COc1cc(C)ccc1C 19736176 SIVRPSXASFFEOG-UHFFFAOYSA-N 300.358 2.912 0 40 DFAB CC[C@@H](NC(=O)c1cccc(-n2cnnc2)n1)c1ccccc1 21157442 DQFCOJUOUCJUQM-CQSZACIVSA-N 307.357 2.543 0 40 DFAB Cc1ccccc1C(=O)N1CCC(C(=O)NCC(C)C)CC1 21873345 CFSOOUASTIVGKC-UHFFFAOYSA-N 302.418 2.619 0 40 DFAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 23270397 KWBBRAMWKHXYDL-CQSZACIVSA-N 309.369 2.946 0 40 DFAB CCS(=O)(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 24833153 XTGOZRXRFQHNJP-UHFFFAOYSA-N 310.419 2.511 0 40 DFAB Cc1csc(CNC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 29886933 RSRZZQOCRBDJTD-UHFFFAOYSA-N 324.789 2.806 0 40 DFAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)on1 32282348 FZXDNESDNWXSKZ-NSHDSACASA-N 302.330 2.635 0 40 DFAB C[C@H]1C[C@@H](OC(=O)Cc2coc3cc4c(cc23)CCC4)C(=O)O1 32736453 RRWOZQPXLYKGEI-MGPLVRAMSA-N 314.337 2.711 0 40 DFAB Cc1oc(C)c(C(=O)NCc2ccc(Cn3cncn3)cc2)c1C 32873833 USDRRTCHPBSPPE-UHFFFAOYSA-N 324.384 2.775 0 40 DFAB O=C(Cc1cnn(-c2ccccc2)c1)Nn1cnc2ccccc21 32900147 IXNWHTSPGAOVQU-UHFFFAOYSA-N 317.352 2.535 0 40 DFAB Cc1ccc2nc(COc3ccc(C(=O)N(C)C)cc3)cn2c1 32904176 IAGHHKVZKQQSMI-UHFFFAOYSA-N 309.369 2.924 0 40 DFAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C)N2CCCCC2)cc1 36309787 YGVNEGDLPGDQGQ-OLMNPRSZSA-N 316.445 2.994 0 40 DFAB COc1ccc(OCCNc2cccc(S(C)(=O)=O)c2)cc1 40477387 GGNTXPSSZXOXOW-UHFFFAOYSA-N 321.398 2.590 0 40 DFAB Cc1noc(CN2CCN(Cc3cccc4ccccc34)CC2)n1 40487908 NSRZIFAIIOATLN-UHFFFAOYSA-N 322.412 2.849 0 40 DFAB Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 42645634 BOWCQGNPQYCATN-INIZCTEOSA-N 308.381 2.664 0 40 DFAB COCCN(Cc1coc(-c2ccc(OC)cc2)n1)C1CC1 44951097 BIBXUJFZBHATDU-UHFFFAOYSA-N 302.374 2.961 0 40 DFAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)OC[C@H]1C 45525237 IMLWOHYUMKMZGT-MNOVXSKESA-N 302.349 2.932 0 40 DFAB O=C(NCC1(CO)CC1)NC(c1ccccc1)c1ccccc1 49030230 AYAIRJIJNVOHKS-UHFFFAOYSA-N 310.397 2.848 0 40 DFAB CCCCN(CC(N)=O)C(=O)c1cc(Cl)sc1Cl 49744185 GBTMPLIWEVJJND-UHFFFAOYSA-N 309.218 2.783 0 40 DFAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc[n+]([O-])c3)C2)cc1 50769314 ZRMQMWJHJKLFAL-KRWDZBQOSA-N 310.397 2.723 0 40 DFAB CC(C)n1nnnc1SCc1nc(-c2ccccc2)no1 52711031 XHLVPAZBIXAOQY-UHFFFAOYSA-N 302.363 2.596 0 40 DFAB CCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 53510533 INOMYCFZYYPLBH-QGZVFWFLSA-N 323.458 2.859 0 40 DFAB Cc1cc(C)c(-c2cc(NC(=O)c3cnn(C)c3)[nH]n2)cc1C 58194468 RBVSCZMRGLEROO-UHFFFAOYSA-N 309.373 2.988 0 40 DFAB CC(C)c1ccccc1NC(=O)NCCCN1CCCC1=O 58281557 QBCWBBNRZKQBFV-UHFFFAOYSA-N 303.406 2.944 0 40 DFAB CN(C)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)nc1 58433919 PUZMDQHAOJNMDW-UHFFFAOYSA-N 319.368 2.857 0 40 DFAB O=C(O)[C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 62117847 XZLYCDVPNGEJGM-LBPRGKRZSA-N 301.367 2.962 0 40 DFAB O=C(C[C@@H]1CCCO1)NC[C@@H]1CCCN(Cc2ccccc2)C1 67361336 MQOHATDNKJOHBF-ROUUACIJSA-N 316.445 2.584 0 40 DFAB CCNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 69415385 FZZBMQNVJGCPGE-UHFFFAOYSA-N 309.435 2.948 0 40 DFAB CC(C)(C)n1cc(NC(=O)c2ccc(N3CCCC3)nc2)cn1 69457389 SOMCHACFAKNGJS-UHFFFAOYSA-N 313.405 2.886 0 40 DFAB CCOc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1 69528674 ZMSPUUJIVVWXDO-ROUUACIJSA-N 316.445 2.713 0 40 DFAB Cn1cc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)cn1 69625071 NQGUMYGITUKSNW-CQSZACIVSA-N 323.352 2.504 0 40 DFAB O=C(Cc1cccc2cccnc12)N1CCC[C@H](n2ccnc2)C1 69919533 CKRYXUCQSAZEBL-KRWDZBQOSA-N 320.396 2.838 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 71870328 OUVUEWRHCBOCSB-CYBMUJFWSA-N 302.378 2.619 0 40 DFAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2F)nnc1C 71883973 REFLGGHKYGFCBR-UHFFFAOYSA-N 309.728 2.903 0 40 DFAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)Cc1cccs1)C2 72295315 LSVMEPPLQYEDPK-AAEUAGOBSA-N 303.431 2.563 0 40 DFAB CCOc1ccc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)cc1 72427449 XNPPIAZJIKMGLN-UHFFFAOYSA-N 324.336 2.621 0 40 DFAB COC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C1 72851815 IVPPLKVUWBMPJK-AWEZNQCLSA-N 318.417 2.634 0 40 DFAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCc2[nH]ncc2C1 72864949 QPLOQKDYGPYUDL-AWEZNQCLSA-N 324.428 2.526 0 40 DFAB Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 74603188 VROXMKIUNUZTAX-UHFFFAOYSA-N 318.417 2.617 0 40 DFAB Cc1cc([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)n[nH]1 78902253 OTBBCSJXPZXLFR-AWEZNQCLSA-N 316.405 2.662 0 40 DFAB CC(C)NC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCOC2)c1 79105327 IJDDTJNOWUDNNF-CYBMUJFWSA-N 320.389 2.800 0 40 DFAB COC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344915 KPDFRFABODOISC-HFKOZYHYSA-N 316.184 2.775 0 40 DFAB Cc1[nH]c(=O)ccc1C(=O)NCCSc1ccc(Cl)cc1 84028824 SQHZYPSBJAXBHN-UHFFFAOYSA-N 322.817 2.859 0 40 DFAB COC[C@@H](C)NC(=O)Nc1ccc(Br)c(OC)c1 84640397 OVGNJJAFOMPYAI-MRVPVSSYSA-N 317.183 2.614 0 40 DFAB CC[C@@](CO)(NCc1ccc([S@](C)=O)cc1)c1ccccc1 85325074 ATRIFICXLGXVIU-PGRDOPGGSA-N 317.454 2.811 0 40 DFAB COc1cc(-c2nc(COc3ccc(F)cc3)n[nH]2)ccc1O 85384125 FVXHMRAEKABTFX-UHFFFAOYSA-N 315.304 2.904 0 40 DFAB C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)C[C@@H](C)S1 89842052 MUZBXVZWSSUGMS-AOOOYVTPSA-N 316.373 2.692 0 40 DFAB C[C@H](CC(=O)c1ccccc1)NC(=O)CSc1ccncc1 89894624 LKYHQRSGUVYMDK-CYBMUJFWSA-N 314.410 2.951 0 40 DFAB Cc1ccn(-c2ccccc2CN[C@H]2CCN3CCC[C@@H]3C2)n1 90518815 WJIJBPIVNYPBCD-ZWKOTPCHSA-N 310.445 2.897 0 40 DFAB COc1ccc(Cl)cc1CNC(=O)N1CCOCC[C@@H]1C 91605939 VRFXNIIIHIXAJZ-NSHDSACASA-N 312.797 2.669 0 40 DFAB COc1ccc2c(c1)[C@](O)(CNC1C[C@@H](C)O[C@H](C)C1)CCC2 95988510 VWIJCIOGOZTDID-PJIJBLCYSA-N 319.445 2.765 0 40 DFAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1nccs1 96109740 DRVRZVLIFIKGJQ-GFCCVEGCSA-N 318.446 2.843 0 40 DFAB NC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 96125654 GIICOLYUDVTSOZ-UHFFFAOYSA-N 324.380 2.682 0 40 DFAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(Cc1ccc(C)o1)C2 96219397 BEWHNSJLJLEYDI-HKUYNNGSSA-N 318.461 2.768 0 40 DFAB CCOC(=O)c1csc(N(C)C(=O)[C@H]2C[C@H]2c2ccco2)n1 96451948 NLSPONHHQDKJSC-ZJUUUORDSA-N 320.370 2.679 0 40 DFAB CCOc1ccc(Cn2cnc3c(oc4ccccc43)c2=O)nc1 96459503 JDEBPLYTUASZBZ-UHFFFAOYSA-N 321.336 2.985 0 40 DFAB FC(F)(F)c1ccnc(N[C@H]2CCO[C@@]3(CCSC3)C2)n1 96481060 VAALUCCTWVRSSR-CABZTGNLSA-N 319.352 2.962 0 40 DFAB C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccn1C 96491687 JHMQQVUYXNVNJC-BFHYXJOUSA-N 322.453 2.907 0 40 DFAB COc1cc(CN(C(=O)c2cncc(C)c2)C2CC2)ccc1O 97022454 NMZGATSYPJEQMN-UHFFFAOYSA-N 312.369 2.909 0 40 DFAB CCn1cnnc1CN[C@@H](C)c1cc2cccc(OC)c2o1 97034435 QRGYKJWOCAYELZ-NSHDSACASA-N 300.362 2.904 0 40 DFAB Cn1cc(C(=O)NCc2ccc3c(c2)CCC3)c(C(F)(F)F)n1 97497044 MHHKILZYDBTNJQ-UHFFFAOYSA-N 323.318 2.858 0 40 DFAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 102257803 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2.806 0 40 DFAB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc2ccccc2c1 250258517 VLBQVLILVGYHDV-GWFJUFKTSA-N 307.349 2.976 0 40 DFAB C=Cn1cc(CN[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 253394550 ZYXGOHOCXPAYHK-XUVXKRRUSA-N 322.456 2.984 0 40 DFAB Cc1nn(CCS(C)(=O)=O)c2nc3ccccc3c(Cl)c12 255188032 IKOZZTALPXXAMN-UHFFFAOYSA-N 323.805 2.591 0 40 DFAB Cc1cc(C)n(CC(=O)N2CCC(C)(c3nccs3)CC2)n1 257281062 ONLRKERRLJLALQ-UHFFFAOYSA-N 318.446 2.537 0 40 DFAB CCOC[C@@H]1CCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 521394516 KHFAYNSORIQTIL-HUUCEWRRSA-N 312.454 2.744 0 40 DFAB c1ccc(-n2cc(-c3ccc(CN4CCOCC4)cc3)cn2)nc1 521398670 XWOVMDJFLZRZPP-UHFFFAOYSA-N 320.396 2.767 0 40 DFAB NC(=O)c1c[nH]c(-c2noc(C3CCc4ccccc4CC3)n2)c1 528182141 JOLWGBCOKYYELU-UHFFFAOYSA-N 322.368 2.826 0 40 DFAB Cc1nc(C(=O)N2CC[C@H](n3cnc4ccccc43)C2)cs1 575616198 HUUYAPUNGYXMRI-LBPRGKRZSA-N 312.398 2.888 0 40 DFAB Cc1nccn1CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 582106988 NGWRXAJQENGLKY-UHFFFAOYSA-N 313.357 2.574 0 40 DFAB CCc1ccccc1S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1 585141807 GHQIFUBXJFVVCN-HOTGVXAUSA-N 316.426 2.726 0 40 DFAB O=C(C1=COCC1)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056223722 BXASETTVEMYLNH-CALCHBBNSA-N 318.461 2.651 0 40 DFAB Clc1cccnc1N1CCC[C@@H](COc2cnccn2)C1 2298184030 YQWUCRBVNWPLRM-GFCCVEGCSA-N 304.781 2.820 0 40 DFAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1CCCCC1 415804 UXUFMBXDXHCBCX-UHFFFAOYSA-N 321.377 2.980 0 40 DFAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1 422189 XTNKIIFUAMNQOP-UHFFFAOYSA-N 316.430 2.587 0 40 DFAB CCN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 1320417 QNRUTRIEVFDSAE-OXJNMPFZSA-N 321.376 2.686 0 40 DFAB O=c1[nH]c(N[C@@H]2CC=CCC2)nc2c1cnn2-c1ccccc1 78293338 RVRRUYXAZNXAAK-GFCCVEGCSA-N 307.357 2.629 0 40 DFAB Cc1cc(F)c2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(C(C)C)C1 55430918 XKKXPMPTXBJYHQ-AWEZNQCLSA-N 318.392 2.670 0 40 DFAB Cc1cc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)no1 78965283 SIAVRLLRLGAWSA-UHFFFAOYSA-N 316.361 2.694 0 40 DFAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCNC(=O)C3)cc2)cs1 79107632 JENRMTUKHAHBMT-GFCCVEGCSA-N 315.398 2.583 0 40 DFAB Cc1ccccc1CN(C)C(=O)Cn1cc(-n2cccc2)cn1 72311103 DHTMXMGMMMQQHV-UHFFFAOYSA-N 308.385 2.641 0 40 DFAB Cc1n[nH]c2ncc(NC(=O)c3cccc(OC(C)C)n3)cc12 95438591 JHTZCGIGUCYDTG-UHFFFAOYSA-N 311.345 2.701 0 40 DFAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1CCc2ccccc2C1 35629946 JMGPFPCMFPOHHV-KBPBESRZSA-N 305.374 2.769 0 40 DFAB CCOC(=O)c1cnn(-c2nc3c(Cl)cccc3s2)c1N 44893640 QFKVZLJPOSVYLW-UHFFFAOYSA-N 322.777 2.894 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccnc1 58295545 WQQXJJWNFOXGDZ-CYBMUJFWSA-N 310.275 2.564 0 40 DFAB CC(C)Oc1cccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 101709432 FCTXZQYSSXIFOS-CYBMUJFWSA-N 315.369 2.667 0 40 DFAB COc1ccc2c(c1)[nH]c1c(=O)n(CCCOC(C)C)cnc12 2152204 HZGIGAKWDMATSD-UHFFFAOYSA-N 315.373 2.702 0 40 DFAB biogenic Cc1nc2sccc2c(=O)n1NC(=O)c1ccccc1Cl 58549883 QBEZCPFRLMBSDO-UHFFFAOYSA-N 319.773 2.804 0 40 DFAB COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)Nc1cc(C)on1 28886945 KKIGTTYVSKQQDH-QWHCGFSZSA-N 317.389 2.978 0 40 DFAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)CCc1ccccc1Cl)CCO2 107720299 DEJAHVKNXYVEJI-BFYDXBDKSA-N 323.820 2.677 0 40 DFAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 100201987 JBKUPYOUMTYOAH-XLAORIBOSA-N 317.344 2.796 0 40 DFAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c1 12124039 UUKJMCCNRKAPHB-GFCCVEGCSA-N 310.353 2.991 0 40 DFAB O=C(c1cccc2[nH]ncc12)N1CCC[C@H]1c1noc(C2CC2)n1 84358754 AFOCDCLVNBLUIN-AWEZNQCLSA-N 323.356 2.801 0 40 DFAB O=C(NCc1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12 3324265 FQKLKPWVHDNQLF-UHFFFAOYSA-N 313.744 2.507 0 40 DFAB Cc1[nH]c2ccccc2c1C1CCN(CCS(C)(=O)=O)CC1 48342433 QXFYUMLNSMHGIH-UHFFFAOYSA-N 320.458 2.700 0 40 DFAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)[C@@H]1CCOC1 49457752 SJMNOTRUPIVOMJ-SECBINFHSA-N 309.778 2.834 0 40 DFAB c1coc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c1 13734793 XUBRPNNHNMGGKP-UHFFFAOYSA-N 312.310 2.842 0 40 DFAB COC(=O)c1ccc(COc2ccc(C(=O)OC)cc2)cc1 5185085 OHSQYBADEVFDTK-UHFFFAOYSA-N 300.310 2.839 0 40 DFAB COC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CCCc2ccccc21 4301810 UWYYJGGQSCUZOH-HOTGVXAUSA-N 318.417 2.951 0 40 DFAB CC[C@H](C(=O)N1CCCCCC1)n1cnc2ccccc2c1=O 5245601 PTGUNAOUIJVUKU-MRXNPFEDSA-N 313.401 2.750 0 40 DFAB Cc1cccc(C)c1OC1CCN([C@H]2C[C@@H](C)OC2=O)CC1 65554641 IZCAEBBGIVRNRM-ZBFHGGJFSA-N 303.402 2.851 0 40 DFAB O=C(CCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCO1 65604291 VWFWJYSIPXRJBY-CYBMUJFWSA-N 317.307 2.813 0 40 DFAB CC(=O)c1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 14378929 NGIZRIMLWGXESO-UHFFFAOYSA-N 317.366 2.545 0 40 DFAB C[C@H](NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1)C1CC1 95409455 CQEHVRLUMYOTOS-WMLDXEAASA-N 302.418 2.828 0 40 DFAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCO2)cc1OC 71795608 HWUSIZYBAZGGSB-UKRRQHHQSA-N 305.374 2.546 0 40 DFAB CS[C@H](CO)[C@@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12 95427412 LJMFRAHJXJCUMN-IUODEOHRSA-N 320.458 2.638 0 40 DFAB Clc1ccccc1-c1ncnn1CN1CCO[C@@H]2CCC[C@@H]21 71824007 NOPPVDSVFNPCPH-LSDHHAIUSA-N 318.808 2.809 0 40 DFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)O)C(=O)N2C1CCCC1 7660560 POSYJQBUAKYXCT-YEWWUXTCSA-N 315.369 2.755 0 40 DFAB CCn1nc(C)c(CNC(=O)N[C@@H]2CC[C@@H](SC)C2)c1C 83836691 KOPAZYJYPMKQMS-CHWSQXEVSA-N 310.467 2.603 0 40 DFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C)no2)c1C 7855665 YXIXFOZLZDKWDM-LLVKDONJSA-N 318.329 2.559 0 40 DFAB COc1ccc(Br)c(NC(=O)Nc2cn[nH]c2)c1 69486810 CQRMKUXTRDNATR-UHFFFAOYSA-N 311.139 2.825 0 40 DFAB O=C(NC[C@H]1CCCO1)Nc1cc(-n2cccc2)ccc1F 69415774 ZSCNEJFULZFCOD-CYBMUJFWSA-N 303.337 2.917 0 40 DFAB CCn1ccnc1CN1CCN([C@H](C)c2ccc(F)cc2)CC1 69528303 NDLSGHIWGAVSQB-OAHLLOKOSA-N 316.424 2.921 0 40 DFAB Cc1oc(C)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1C 8778279 LUCMHHFDDZCLKE-UHFFFAOYSA-N 313.309 2.615 0 40 DFAB COCc1cccc(C(=O)OCc2nc(N)c3ccccc3n2)c1 8780520 YIPDNTMJTBOBGM-UHFFFAOYSA-N 323.352 2.715 0 40 DFAB CNC[C@H]1CCCN(Cc2cccc(OCCCOC)c2)C1 97095604 TZTWOBFAERGGMI-QGZVFWFLSA-N 306.450 2.533 0 40 DFAB Cc1nc([C@@H](C)NC(=O)CCC(F)(F)F)sc1C(=O)O 97050096 QEYOVZCBBDPFGK-ZCFIWIBFSA-N 310.297 2.669 0 40 DFAB CC(C)c1nc([C@H]2CN(c3cccc(F)c3C#N)CCO2)no1 95938946 CGVDZWJKEUFBIS-CQSZACIVSA-N 316.336 2.782 0 40 DFAB COc1ccccc1N1CC[C@@H](NCc2c(C)noc2C)C1 95990153 BMEALYPDCFFKPG-CQSZACIVSA-N 301.390 2.669 0 40 DFAB Clc1cnccc1N1CC[C@@H](OCCN2CCCCC2)C1 95974202 CBBWGQUJPAZWGY-CQSZACIVSA-N 309.841 2.816 0 40 DFAB COC(=O)CN(C(=O)c1cccc2cc[nH]c12)C1CCCC1 89400880 XEKVGXZUQPCWBT-UHFFFAOYSA-N 300.358 2.726 0 40 DFAB COc1ccnc(N(Cc2ccccc2)CC2(O)CCCC2)n1 89484073 JONWBRDFNRUFOZ-UHFFFAOYSA-N 313.401 2.797 0 40 DFAB COC(C)(C)C[C@@H](C)NC(=O)NCCc1nc(C)c(C)s1 89559333 GWACCUYMDMJSGV-SNVBAGLBSA-N 313.467 2.805 0 40 DFAB CC(C)(C)C[C@@H](NC(=O)Cn1ccnn1)c1ccc(F)cc1 89643007 UAKQBSVOHRZCCU-CQSZACIVSA-N 304.369 2.711 0 40 DFAB NC(=O)c1c(Cl)cccc1NC(=O)[C@@H]1CC1(Cl)Cl 76067036 KURNPCCUSBWMIO-YFKPBYRVSA-N 307.564 2.571 0 40 DFAB COc1cc(Cl)ccc1C(=O)NC1CCC(C(=O)O)CC1 43564846 LYTYLPHPICPCLF-UHFFFAOYSA-N 311.765 2.722 0 40 DFAB Cc1ccsc1CN1C[C@H]2OC[C@H](CN3CCCC3)[C@H]2C1 306134415 NMSFEKJVYLGGBE-ARFHVFGLSA-N 306.475 2.599 0 40 DFAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccccc1F 8166852 QYULHCBDXDEMQV-ACCUITESSA-N 305.374 2.959 0 40 DFAB O=C(c1ccco1)N1CCCN(c2ncc(Cl)cc2F)CC1 79298567 KEWJVADAKJOUGQ-UHFFFAOYSA-N 323.755 2.820 0 40 DFAB COc1ccc2c(CN3C[C@H]4CCCN4C[C@H]3C)cn(C)c2c1 72324715 FJXBGAWPXSVIFQ-GDBMZVCRSA-N 313.445 2.855 0 40 DFAB CC(=O)N1CCc2cc(C(=O)OCc3scnc3C)ccc21 78984843 AJVMGGOZITZJRC-UHFFFAOYSA-N 316.382 2.718 0 40 DFAB C[C@@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 70639574 XSJKWGSINJYUEZ-QGZVFWFLSA-N 312.325 2.572 0 40 DFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)O)[C@@H]2c2ccccc2)cc1 218051727 PXBKHZFENFUAOZ-XHSDSOJGSA-N 316.378 2.636 0 40 DFAB CC[C@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCS1 72861378 CUHQOOSJUPNWKD-RYUDHWBXSA-N 324.412 2.615 0 40 DFAB O=C(NCc1ccc(-n2cccn2)cc1)[C@@H]1COc2ccccc21 79092176 HYIHIRRIUSIBIW-QGZVFWFLSA-N 319.364 2.665 0 40 DFAB Cc1cc2nc([C@H]3CCCN3C(=O)c3cc[nH]n3)[nH]c2cc1C 72346762 KYAZHAXPTGVIEM-OAHLLOKOSA-N 309.373 2.880 0 40 DFAB COc1ccc(CCNC(=O)c2c(C)nc3ccc(C)cn23)cc1 71476690 FDFCNEIQYKJVTJ-UHFFFAOYSA-N 323.396 2.932 0 40 DFAB O=C(NCc1cnn2c1CCCC2)c1ccc2ncsc2c1 225608626 MMTJLHXQXCYZBO-UHFFFAOYSA-N 312.398 2.759 0 40 DFAB O=C(O)c1cccc(C(=O)N2CC=C(c3cccs3)CC2)n1 195541659 KZXKXTBUYJEQHU-UHFFFAOYSA-N 314.366 2.771 0 40 DFAB COc1ccc(NC(=O)NCCCOCC2CC2)cc1OC 40477750 WTZXSGFZMJFKOT-UHFFFAOYSA-N 308.378 2.642 0 40 DFAB O=C(Nc1nncn1-c1ccccc1)c1ccn(C2CCCC2)n1 96493713 RDCLCLXUKKINOR-UHFFFAOYSA-N 322.372 2.831 0 40 DFAB Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCc2occc21 96405742 XMASCPYGJBEZNK-CVEARBPZSA-N 314.385 2.998 0 40 DFAB COc1cccc(-c2cc(NC(=O)c3ccccn3)n(C)n2)c1 96485933 UKVLKGJAJAFIOR-UHFFFAOYSA-N 308.341 2.743 0 40 DFAB COC[C@H]1COCCC12CCN(C(=O)c1ccc(C)s1)CC2 96106352 OMKLZOPXDMEJNF-AWEZNQCLSA-N 323.458 2.962 0 40 DFAB O=C(NC[C@@H](O)c1ccccc1Cl)[C@@H]1COc2ccccc21 96437362 UIIQAHLRRUYEHR-UKRRQHHQSA-N 317.772 2.666 0 40 DFAB CN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2 96229694 XNYXZNLOVSNIBR-KRWDZBQOSA-N 320.820 2.957 0 40 DFAB OCCC1(CNc2cc(C(F)(F)F)ccn2)CCOCC1 96455806 XGXGTTZCVLRORX-UHFFFAOYSA-N 304.312 2.692 0 40 DFAB Cc1nc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cs1 248050188 SBNLSHBJSMDWNS-GFCCVEGCSA-N 324.471 2.578 0 40 DFAB O=C(NCCc1ccccn1)c1cccnc1-c1cncs1 257295219 QXMKIYXMBBQUDA-UHFFFAOYSA-N 310.382 2.573 0 40 DFAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cccc3ncccc23)C1 257251031 JPCOVEQKTWFUPQ-ZDUSSCGKSA-N 306.369 2.896 0 40 DFAB O=S(=O)(c1ccc(Br)nc1Cl)C(F)(F)F 252492335 MJDJVZSENAERJZ-UHFFFAOYSA-N 324.505 2.791 0 40 DFAB Cc1cccc(CC(=O)NC[C@@]2(O)CCc3ccccc3C2)c1 85559803 ZNJWHXHZFCMZDU-HXUWFJFHSA-N 309.409 2.574 0 40 DFAB O=C(O)C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 262634640 HURHJNBRNNJNPC-UHFFFAOYSA-N 309.316 2.728 0 40 DFAB O=S(=O)(N[C@H]1CCO[C@@H](c2cccnc2)C1)C1CCCCC1 296278466 YRHMLPXJFPWFEV-GOEBONIOSA-N 324.446 2.554 0 40 DFAB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(c2nccs2)C1 575605094 HNXCPAPZPOLLLC-CYBMUJFWSA-N 321.833 2.734 0 40 DFAB c1cc2n(c1)C[C@@H](CCOCC1CC1)CN(C1CCOCC1)C2 585095118 GLYDEIWONALNSC-QGZVFWFLSA-N 318.461 2.916 0 40 DFAB C[C@@H](NC(=O)CCS(C)(=O)=O)c1cccc(Cl)c1Cl 72287381 QKJVACCKQRNFEX-MRVPVSSYSA-N 324.229 2.605 0 40 DFAB CCN(CC)[C@@H](CNC(=O)N1CCSCC1)CC(C)C 59297083 KVJQHBBJBOUJJH-CQSZACIVSA-N 301.500 2.501 0 40 DFAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)c1ccccc1F 56230015 BVMRZZJVOYPDBN-SECBINFHSA-N 307.398 2.653 0 40 DFAB CC(C)(C(=O)NCc1cccnc1-n1ccnc1)c1ccccc1 74236467 KICPGVVMAKKNPE-UHFFFAOYSA-N 320.396 2.861 0 40 DFAB Cc1cc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)c2ccc(F)cc2n1 76050952 CEZCBQUYJGMQHW-APPDUMDISA-N 315.392 2.704 0 40 DFAB Cc1ccc(-c2noc(CN(C)[C@H]3CCN(C)[C@H](C)C3)n2)cc1 78876514 QUCUDNIHELQPTG-ZBFHGGJFSA-N 314.433 2.960 0 40 DFAB CCS(=O)(=O)CCN[C@H](C)c1ccc(OC)c2ccccc12 95967651 WTXKXLXRJBPRGE-CYBMUJFWSA-N 321.442 2.934 0 40 DFAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)NC(=S)N1 5937271 DCBUHHFGYVKYQQ-AWEZNQCLSA-N 322.405 2.962 0 40 DFAB CC1CCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)CC1 5401687 DJUOPMBBBXMCHD-UHFFFAOYSA-N 314.385 2.512 0 40 DFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCNC(=O)c2ccccc2Cl)C1 12929705 YKXHFMRTLRAQCM-CHWSQXEVSA-N 322.836 2.964 0 40 DFAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13320677 MTBGZAOPOJSLPB-UZGDPCLZSA-N 307.777 2.703 0 40 DFAB CC(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 15596116 NIDOWAGPYFNTDR-UHFFFAOYSA-N 311.263 2.743 0 40 DFAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H](CO)C[C@]34C)[C@@H]1CC[C@@H]2O 17314781 GMNUCAFZYMWGOG-KOHQJRMWSA-N 322.489 2.969 0 40 DFAB CCC(=O)N1CC[C@H]2CCC[C@@H](CNCc3ccccc31)N2C 643577877 HCZCSWNBFYHQTB-SJORKVTESA-N 315.461 2.776 0 40 DFAB COc1cccc(COCC(=O)N[C@@H](C)c2ccc(C)o2)c1 36396245 PBZBFHZZPHAZNB-ZDUSSCGKSA-N 303.358 2.991 0 40 DFAB O=C(NCc1ccccc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888866439 HZRBASXWYCYFGY-HOTGVXAUSA-N 310.401 2.961 0 40 DFAB c1cnc(OCC2CCN(c3nc4ccccc4o3)CC2)nc1 1888885494 LROXOGKWMICOHU-UHFFFAOYSA-N 310.357 2.913 0 40 DFAB CN1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13687246 AFKTVIBWHHZEER-UHFFFAOYSA-N 310.397 2.653 0 40 DFAB Cc1ccc(N2C(=O)N(C[C@@H](O)c3ccccc3)C(=O)[C@H]2C)cc1 24087462 PDJHEYLCQWJYRD-RHSMWYFYSA-N 324.380 2.886 0 40 DFAB O=C(NC1CC1)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 24515075 MDHXRBUAOBCFQL-SFHVURJKSA-N 324.380 2.890 0 40 DFAB CCSC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1 2711389 MABRYMCEUNOILU-UHFFFAOYSA-N 320.439 2.953 0 40 DFAB O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)OCCCO2 7402793 QCFYPYFTSPNCOZ-UHFFFAOYSA-N 323.345 2.788 0 40 DFAB CCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCC2)o1 8769101 MGOONJFONZHWLP-UHFFFAOYSA-N 324.384 2.876 0 40 DFAB COC[C@@](C)(CNC(=O)Nc1ccccc1C(F)(F)F)OC 575610844 BVKIASSFGYZHOS-CYBMUJFWSA-N 320.311 2.878 0 40 DFAB Cn1c(=S)n(CN2CCC3(CC2)OCCO3)c2ccccc21 20428239 VLKUMOYFQLDXSC-UHFFFAOYSA-N 319.430 2.506 0 40 DFAB Cc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n(C)n1 40504854 LJQARVMCYPZPOO-HNNXBMFYSA-N 315.373 2.539 0 40 DFAB Fc1ccc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)cc1 20661914 MTOJMNMRKVIATD-CYBMUJFWSA-N 313.336 2.546 0 40 DFAB Nc1nc(N)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 102751581 DMFXXSNBGRAMHA-LBPRGKRZSA-N 307.357 2.855 0 40 DFAB Cc1nc(C)c(C(=O)NCCN2CCc3sccc3C2)s1 53267446 HMJHQKVMWVCVMH-UHFFFAOYSA-N 321.471 2.610 0 40 DFAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(F)cc1F 22480661 KWCYQOLCEAJHFQ-UHFFFAOYSA-N 321.279 2.502 0 40 DFAB CCc1ccc(-c2csc(NC(=O)[C@H](C)NC(C)=O)n2)cc1 23082842 QYDRASBNLFKITC-JTQLQIEISA-N 317.414 2.836 0 40 DFAB CSCC[C@H]1NC(=S)N([C@H](c2ccccc2)C2CC2)C1=O 54372834 MFHCQJLMOIDSOM-ZIAGYGMSSA-N 320.483 2.976 0 40 DFAB O=C(NCc1cn2ccccc2n1)[C@@H]1C[C@@H]1c1ccc(F)cc1 23754385 AQBZWUKLFHHAFA-HZPDHXFCSA-N 309.344 2.893 0 40 DFAB CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1N 47844176 KKCXUHZJMXLTBP-LBPRGKRZSA-N 320.389 2.825 0 40 DFAB in-vitro Cc1cccnc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 43167524 ILQHSTVAXUDQSN-AWEZNQCLSA-N 314.389 2.942 0 40 DFAB Cc1nnc2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCO4)nn12 78774529 DYYGVMNMTFPRLN-CYBMUJFWSA-N 323.356 2.503 0 40 DFAB Cc1cc(C)n(CCCNC(=O)N2CCS[C@H](C(C)C)C2)n1 78951279 NIGMDSHFMZYTMM-HNNXBMFYSA-N 324.494 2.673 0 40 DFAB CCC[C@@H](C)C(C(=O)OCC)(C(=O)OCC)[C@H](C)OCC 1694450 PXHSRAQRDJKRAD-OLZOCXBDSA-N 302.411 2.960 0 40 DFAB CC(=O)Oc1ccc2cc(NC(=O)c3ccccc3)c(=O)oc2c1 1698469 GBKOCIPHCDSOON-UHFFFAOYSA-N 323.304 2.971 0 40 DFAB CCn1c(C)cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1C 56131173 UHTFHVUCHFDMCH-AWEZNQCLSA-N 316.405 2.836 0 40 DFAB COc1ccc(CNC(=O)COc2ccc(C)cc2OC)cc1 6231123 RMXSJAZVEPPOLF-UHFFFAOYSA-N 315.369 2.707 0 40 DFAB O=C(Cc1ccccc1)N[C@@H](C(=O)O)c1ccccc1Cl 44137289 MTFPCYJZWDSFOB-OAHLLOKOSA-N 303.745 2.825 0 40 DFAB O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc(Cl)cc1Cl 44422616 ULZHLULBTGAAOP-LBPRGKRZSA-N 320.197 2.684 0 40 DFAB O=C([C@@H]1CCCN1C(=O)OCC(F)(F)F)N1CCCCCC1 57974822 HRHVXOOPDKPHGU-NSHDSACASA-N 322.327 2.552 0 40 DFAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1C(C)(C)C 58166165 OOKRDEDZLPDWKY-UHFFFAOYSA-N 305.407 2.928 0 40 DFAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CCN2CCSC2=O)o1 44891455 FZKVQVNLYVMXNF-DGCLKSJQSA-N 322.430 2.920 0 40 DFAB c1cnc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)cs2)nc1 44975381 YFDPVBUUMACEPN-LBPRGKRZSA-N 316.430 2.601 0 40 DFAB c1ccc2c(C3CCN(Cc4nnnn4C4CC4)CC3)c[nH]c2c1 44907450 ULLXWQABDWRRJH-UHFFFAOYSA-N 322.416 2.869 0 40 DFAB CCN(Cc1cccs1)C(=O)c1ccnc(-n2ccnc2)c1 58354878 KGAOPUFSXJSKLM-UHFFFAOYSA-N 312.398 2.991 0 40 DFAB CCSc1ccc(NC(=O)NCCc2ccccn2)cn1 58438957 IWVFISNFBMSQSI-UHFFFAOYSA-N 302.403 2.953 0 40 DFAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccsc2)nc1C 36764044 UPPMIJSESVYWMZ-UHFFFAOYSA-N 324.427 2.861 0 40 DFAB O=C(NCCc1ccc(F)cc1)c1cc(=O)c2ccccc2o1 3231045 MGTLWMRCTSTKET-UHFFFAOYSA-N 311.312 2.905 0 40 DFAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H](C(F)(F)F)C1 46017715 MOPMMMFLUPUVIQ-SNVBAGLBSA-N 324.302 2.943 0 40 DFAB O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc2cc[nH]c2c1 46566783 PEQSRRSMHCGABM-UHFFFAOYSA-N 324.237 2.876 0 40 DFAB C[C@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc(Cl)s1 47029105 WIGALMRJCJXRLN-SNVBAGLBSA-N 312.826 2.828 0 40 DFAB CCOC(=O)[C@H]1CCCN(c2nc(C)cc(C(F)(F)F)n2)C1 12396842 ULOYIHLOMFOXMC-JTQLQIEISA-N 317.311 2.583 0 40 DFAB Cn1ccnc1COc1ccc(C(=O)Nc2cccnc2)cc1 47535390 NWTJMJAFFGYJNQ-UHFFFAOYSA-N 308.341 2.646 0 40 DFAB CCOc1ccc2c(c1)C=C(C(=O)NCc1ccncc1)CO2 47698620 CTTQRXYILXDMKS-UHFFFAOYSA-N 310.353 2.573 0 40 DFAB COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1 3338057 IYVKZSBCOZYRHC-UHFFFAOYSA-N 314.341 2.915 0 40 DFAB COc1nc(C)cc(N2CCC[C@@H]2c2noc(C(C)C)n2)n1 96003758 SISGBEOUTRGQBE-LLVKDONJSA-N 303.366 2.642 0 40 DFAB O=C(CC(F)(F)F)NCC1CCN(Cc2ccccc2)CC1 63081870 GSVCVGAYHJUWGL-UHFFFAOYSA-N 314.351 2.967 0 40 DFAB Cc1ccc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)s1 93682882 MWGIUPZGUDKACE-LLVKDONJSA-N 320.380 2.947 0 40 DFAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc2ccccc2c1 9364942 BGLIIASNHUYKQM-UHFFFAOYSA-N 322.364 2.821 0 40 DFAB O=C(CSc1ccccc1)Nc1cccc(-c2nnn[nH]2)c1 13737070 FSNBSGHWGMAQAT-UHFFFAOYSA-N 311.370 2.598 0 40 DFAB C[C@@H](NC(=O)CSc1nnc2ccccn12)c1cccs1 5212887 IDYIQEDXPVCCGZ-SNVBAGLBSA-N 318.427 2.760 0 40 DFAB CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC2CC2)c1 6610280 IAHWEDQBKFTRNE-QMMMGPOBSA-N 313.806 2.886 0 40 DFAB CC(C)c1noc([C@H](C)Sc2nnc(C(C)(C)C)n2N)n1 27777946 NWDQSLUNBXHRFG-QMMMGPOBSA-N 310.427 2.649 0 40 DFAB CC(C)(C)c1cc(NC(=O)Cn2cccn2)n(C(C)(C)C)n1 66664752 UJOFWLYYYBFRII-UHFFFAOYSA-N 303.410 2.771 0 40 DFAB CN(Cc1ccc(F)cc1F)Cn1nc(C(C)(C)C)ccc1=O 66792326 PKWZRGPMJHBJGQ-UHFFFAOYSA-N 321.371 2.909 0 40 DFAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(C)s2)c1 67010454 JKXCDPKCJSNPHR-GFCCVEGCSA-N 324.471 2.815 0 40 DFAB Cc1cnc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)cn1 71908562 VPUNDAFMBMQADK-MRXNPFEDSA-N 310.401 2.526 0 40 DFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1OC(C)C 68544764 SMUYYYHEQNARGZ-CHWSQXEVSA-N 321.421 2.899 0 40 DFAB CC[C@H](C)c1cc(C(=O)NCCc2cccc(OC)c2O)on1 95404219 PSZBUXDXWXCYCF-NSHDSACASA-N 318.373 2.875 0 40 DFAB C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1 97038985 RAAUWSUIXJKTFJ-IAQYHMDHSA-N 313.344 2.538 0 40 DFAB Cc1csc([C@H]2CCCCN2C(=O)COC[C@@H]2CCCO2)n1 72282001 OLCGWSCVUFKMQC-UONOGXRCSA-N 324.446 2.701 0 40 DFAB CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 69518210 MRDBRPFKYWPIQN-HNNXBMFYSA-N 320.408 2.523 0 40 DFAB Cn1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1=O 69625255 OBFBHZKHHXCADD-KRWDZBQOSA-N 310.397 2.623 0 40 DFAB CCC(=O)N1CCC(Nc2cccc(NC(C)=O)c2C)CC1 92117767 HCIZKKMQLMHKME-UHFFFAOYSA-N 303.406 2.766 0 40 DFAB COC(=O)c1ccc(Cl)cc1OCc1nnc(C2CC2)n1C 97114834 UBQPILDFNWJFKG-UHFFFAOYSA-N 321.764 2.712 0 40 DFAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cc2ccccc2o1 97143982 GHWUIWDTNBZHPD-HNNXBMFYSA-N 310.353 2.985 0 40 DFAB Cc1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 8747290 PJMUEADTRFTDCB-CYBMUJFWSA-N 316.426 2.594 0 40 DFAB CN(C[C@H]1CCOC1)c1ccnc2cc(Br)cnc12 97108548 FMWIFEOYFLKMNW-SNVBAGLBSA-N 322.206 2.865 0 40 DFAB CCc1nc2sc3c(c2cc1C)NC(=O)[C@@H]1CCCN1C3=O 8974611 REZNUECAEULNEM-NSHDSACASA-N 315.398 2.724 0 40 DFAB CC(C)C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2[nH]1 9115294 DFHSQJCBFQVMAG-HUUCEWRRSA-N 301.390 2.945 0 40 DFAB CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 9114170 AROMFHDFZBYBQI-NSHDSACASA-N 318.329 2.566 0 40 DFAB COc1cccc(-c2ccc(=O)n(CN3CCCCCC3)n2)c1 72402272 HXPGSIIHENRCIS-UHFFFAOYSA-N 313.401 2.752 0 40 DFAB Cc1ccccc1C(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C 95983516 QUJIXUNLHVVDPL-MRXNPFEDSA-N 313.401 2.559 0 40 DFAB O=C(CN1CCC[C@H](N2CCCC2)C1)NC1CCCCCCC1 84544055 VKVKSBOHUDYAPO-SFHVURJKSA-N 321.509 2.776 0 40 DFAB C[C@H]1CN(C)CCN1C[C@H](O)c1cc(Cl)ccc1Cl 89939199 JVPCVSWQSZPWIR-HZMBPMFUSA-N 303.233 2.663 0 40 DFAB C[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCOC1 89904171 IZXCQGWIGNHZRQ-ZYHUDNBSSA-N 312.207 2.533 0 40 DFAB CCCn1nccc1NC(=O)Nc1c[nH]nc1-c1ccccn1 89960659 HODYWNJRSCMIPP-UHFFFAOYSA-N 311.349 2.722 0 40 DFAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1F 89949082 SSLIANGJUBGBFZ-GUYCJALGSA-N 304.409 2.952 0 40 DFAB CC(C)OCc1nn(C(F)F)cc1I 408717061 VKVDQKPAKBDTCH-UHFFFAOYSA-N 316.089 2.808 0 40 DFAB O=C(C[C@H]1COCCN1)NCc1csc2ccc(Cl)cc12 72144332 BYVGNHVHZBZEKS-LBPRGKRZSA-N 324.833 2.549 0 40 DFAB O=C(Cc1cccs1)NCCCN1CCc2ccccc21 74158137 GGHARARYGRFPOA-UHFFFAOYSA-N 300.427 2.860 0 40 DFAB C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O 72395027 MURNYFJGCHNUEP-XLIONFOSSA-N 320.392 2.503 0 40 DFAB Cc1cccc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 79333336 SHZCOOPDSUHRNV-KRWDZBQOSA-N 309.365 2.956 0 40 DFAB Cc1ccc2nc(CNC(=O)[C@H]3CCc4cccc(O)c43)[nH]c2c1 560093434 BWJRCLFOYXHHEI-ZDUSSCGKSA-N 321.380 2.923 0 40 DFAB COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 33743605 KIIHTVSMXZTMQD-UHFFFAOYSA-N 316.269 2.554 0 40 DFAB Cc1ccccc1NC(=O)NCc1ccnc(N2CCCC2)n1 224201680 ZEUKOSCXYLGREL-UHFFFAOYSA-N 311.389 2.707 0 40 DFAB O=C(Nc1ccn2nccc2c1)c1cc(-c2cccnc2)on1 225595588 JQFMADANNIIJGZ-UHFFFAOYSA-N 305.297 2.637 0 40 DFAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 225421195 LYMXZUNKILKSIM-AWEZNQCLSA-N 322.368 2.560 0 40 DFAB CC(C)(C)OC(=O)CCC(=O)N1CCn2c1nc1ccccc12 192266363 VAFDALYJFIWTGZ-UHFFFAOYSA-N 315.373 2.505 0 40 DFAB Cn1nccc1CNC(=O)Nc1ccnc(Oc2ccccc2)c1 96434998 RVHGCICHHWIAGN-UHFFFAOYSA-N 323.356 2.929 0 40 DFAB CCN(c1ccncc1)S(=O)(=O)c1cc(F)c(F)c(F)c1 96474650 CNQZTOGHNKGTFW-UHFFFAOYSA-N 316.304 2.714 0 40 DFAB O=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CCOCC1 96466306 CLASYSZDEXHIJN-UHFFFAOYSA-N 318.760 3.000 0 40 DFAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccs2)C1 96455546 UEICVSPOHCMFKA-LOOLNKMNSA-N 314.476 2.627 0 40 DFAB CCOc1ccc([C@H](N)c2n[nH]c(C3CC3)n2)cc1OCC 95534588 HCHJUJAROSWZKJ-AWEZNQCLSA-N 302.378 2.528 0 40 DFAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1C[C@H]1c1ccccc1 96426295 PZJKDLHBOQQTMX-ROUUACIJSA-N 318.380 2.862 0 40 DFAB CC(C)(C(=O)N1CCC(O[C@H]2CCOC2)CC1)c1ccccc1 96450878 BMHSQBTWNWSGGQ-KRWDZBQOSA-N 317.429 2.761 0 40 DFAB Cc1cccc(N2C[C@]3(CCN(C(=O)C(C)C)C3)CC2=O)c1 96077411 YZPXPPYLYXATII-GOSISDBHSA-N 300.402 2.606 0 40 DFAB O=C(Cc1cccs1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 245131232 VKBBHBQGLYMAQP-JOCQHMNTSA-N 317.414 2.587 0 40 DFAB CO[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2cccn2C1 247889744 STNFJRCDJFIGEW-INIZCTEOSA-N 321.380 2.707 0 40 DFAB Cc1ccccc1[C@@H]1CN(CCO[C@H]2CCCCO2)CCO1 252540601 PQGLUBNWAWJDLZ-ROUUACIJSA-N 305.418 2.912 0 40 DFAB CC(C)CN1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257231798 GIGOXCILEHEGOW-OAHLLOKOSA-N 313.405 2.645 0 40 DFAB CO[C@@H]1CCC[C@@H](NC(=O)c2oc3c(F)cccc3c2C)[C@H]1O 257283143 OWWVFFBNBWLOFX-MGPQQGTHSA-N 321.348 2.539 0 40 DFAB Cc1cccc(CN2CCC[C@H]2c2cncc(CN(C)C)n2)n1 257334694 YHAAORURRCUBFP-SFHVURJKSA-N 311.433 2.579 0 40 DFAB C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@@H]2OCC(F)(F)F)O1 253370969 YWJKGAUZZKEJLW-FVCCEPFGSA-N 323.355 2.808 0 40 DFAB CCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1C 257290248 QCDSCFSIQBMIDE-AEFFLSMTSA-N 314.429 2.821 0 40 DFAB COC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 253595589 GJCTYLNZVFYEJY-NZAYIMIOSA-N 314.385 2.538 0 40 DFAB c1ccc(NCC[C@H]2CCOC23CN(C2CCCC2)C3)nc1 253596034 MJYNHEBYDSHDSW-HNNXBMFYSA-N 301.434 2.917 0 40 DFAB COCCN1CCC[C@@]12CCCN(C(=O)c1ccc(C)o1)CC2 585099990 CCZXTTBIUNJRNV-GOSISDBHSA-N 320.433 2.695 0 40 DFAB CC(C)(C)C(=O)N1CCC(c2cncc(-c3cn[nH]c3)n2)CC1 585180227 VPRJDBYMGNLYQG-UHFFFAOYSA-N 313.405 2.619 0 40 DFAB CC(C)(C)C(=O)NCCC(=O)NCc1ccc(F)c(Cl)c1 69486547 XIBOZFPQMATSDG-UHFFFAOYSA-N 314.788 2.648 0 40 DFAB C[C@@H](NCc1nnc(Cc2ccccc2)o1)[C@@H](C)n1cccn1 69948392 APBSLVCLHGJYOF-ZIAGYGMSSA-N 311.389 2.596 0 40 DFAB O=C(NC1CC1)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN1 953083735 YYMYPYLMYVHOGI-HXUWFJFHSA-N 321.424 2.692 0 40 DFAB CC(=O)N1CCCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1 55094158 MIPKTUOKCNFIIC-UHFFFAOYSA-N 322.836 2.698 0 40 DFAB C/C(=C\C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1CC1 54845768 MJRCZGNZQXBUQR-VAWYXSNFSA-N 311.385 2.779 0 40 DFAB O=C(C=C1CCCCC1)Nc1nc(CN2CCOCC2)cs1 56081140 WMYVULJIUIBXKQ-UHFFFAOYSA-N 321.446 2.804 0 40 DFAB COc1c(Cl)cccc1NC(=O)NC[C@](C)(O)c1ccco1 78936802 IYDLEOZZMWQBQU-HNNXBMFYSA-N 324.764 2.971 0 40 DFAB CCOc1ccccc1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 76021201 JLSSIWDYXSDAMR-IMJJTQAJSA-N 318.417 2.698 0 40 DFAB O=C(CC1CCCC1)Nc1ccccc1CN1CCNC1=O 95993553 LSULMBJKDFJYFZ-UHFFFAOYSA-N 301.390 2.731 0 40 DFAB COC(=O)c1sccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 95981730 LRANPBAGKDBPDV-OCCSQVGLSA-N 319.430 2.814 0 40 DFAB CC(C)N(CC(=O)NC(=O)c1ccccc1)Cc1ccccc1 1713436 JNKWGTAHRFQRII-UHFFFAOYSA-N 310.397 2.854 0 40 DFAB NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 5102529 NITKKOMVURHRLQ-UHFFFAOYSA-N 316.430 2.892 0 40 DFAB Cc1nn(C)cc1-c1cncn1Cc1ccccc1CN(C)C 19719442 YFRSWYHOEPIJDA-UHFFFAOYSA-N 309.417 2.702 0 40 DFAB CCN(CC)C[C@@H](O)CO[C@@H](Cc1ccccc1)C(F)(F)F 3120300 GOKMUNUHXSHUQV-CABCVRRESA-N 319.367 2.879 0 40 DFAB CC(C)CCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 3354675 HJFSZCBKENQMCF-ZDUSSCGKSA-N 312.797 2.758 0 40 DFAB Cc1ccc(C)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 7608084 DPVRFGWEFCPVAU-BBRMVZONSA-N 304.415 2.696 0 40 DFAB Cc1cnc([C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)cn1 1848352129 NYVPLOUZZAMRHI-SFHVURJKSA-N 308.385 2.840 0 40 DFAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nncs1 7194142 BZPDFDGVLDTETG-DTWKUNHWSA-N 311.436 2.825 0 40 DFAB c1ccc(OC[C@H]2CCN(c3ncnc4ccsc34)C2)nc1 1888932234 DPMSZQYBOQAINM-LBPRGKRZSA-N 312.398 2.992 0 40 DFAB O=C(NCc1cccnc1-n1cccn1)C1(c2ccccc2)CC1 24590324 MNHHAUBRAMKLLA-UHFFFAOYSA-N 318.380 2.615 0 40 DFAB CCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 8873269 ZMSLVJMNSAGKFZ-UHFFFAOYSA-N 309.778 2.799 0 40 DFAB O=C(Cc1cccnc1)N1CCS[C@@H](c2ccco2)CC1 219415544 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305.378 2.701 0 40 DFAB CN(C)c1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 9208959 XXYJQWZLPHSECA-UHFFFAOYSA-N 322.368 2.635 0 40 DFAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(S(C)(=O)=O)cc1 10968775 WTTWFPQIYOWKNS-STQMWFEESA-N 307.415 2.624 0 40 DFAB COc1cccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)c1 25409969 OVUSNNMVQZEQHL-HNNXBMFYSA-N 324.424 2.758 0 40 DFAB C[C@H]1c2cccn2CCN1C(=O)c1cnn(Cc2ccccc2)c1 29380290 AQMYLOQWLGPWMK-HNNXBMFYSA-N 320.396 2.950 0 40 DFAB Cc1cc(C)n(-c2ccc(CNC(=O)CCc3ccco3)cn2)n1 46310250 DEAJHJOSAPEAIP-UHFFFAOYSA-N 324.384 2.726 0 40 DFAB Cn1cc(NC(=O)Nc2ccc(N3CCSCC3)cc2)cn1 76070622 LPIJTPRMZGGJIZ-UHFFFAOYSA-N 317.418 2.617 0 40 DFAB CCC(=O)N1CC[C@@H](NCC2=Cc3ccccc3OC2)[C@@H](C)C1 76058039 INDXIUBDTZVVBV-WMLDXEAASA-N 314.429 2.699 0 40 DFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2n[nH]c3ccccc23)C1 47416806 IXFWGBYYEIYLMP-ZIAGYGMSSA-N 314.433 2.661 0 40 DFAB CC(C)=CC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 48360576 OJINLFQJTFOJSO-HOTGVXAUSA-N 316.445 2.878 0 40 DFAB 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302.399 2.811 0 40 DFAB CCC(CC)(CO)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 83576673 DWUYCLYQKWEINQ-UHFFFAOYSA-N 304.390 2.878 0 40 DFAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)cc(Cl)c1 4392683 BBNNEXQVPKAXRL-MRVPVSSYSA-N 322.213 2.757 0 40 DFAB CCc1cc(=O)[nH]c(-c2ccc(N3C[C@@H](C)C[C@@H](C)C3)nc2)n1 65566139 YEDUDCZMGBVRIV-BETUJISGSA-N 312.417 2.877 0 40 DFAB O=C(NC1CCCCCC1)c1cccc(N2C(=O)CCC2=O)c1 5443388 FPDONFODPDFXPT-UHFFFAOYSA-N 314.385 2.793 0 40 DFAB CCCn1nnnc1CN(C)[C@H](c1ccccc1)c1ccccn1 66540937 BEPIPYRCUXOKJA-GOSISDBHSA-N 322.416 2.700 0 40 DFAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1 9549356 AYLOGWORUXLEPQ-JTQLQIEISA-N 317.776 2.878 0 40 DFAB Cc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)o1 110689167 NKERRHJUUAWQOE-QEJZJMRPSA-N 305.374 2.765 0 40 DFAB CN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)OC1=S 15222233 ZTSTURKXPOPYHW-FOIMCPNXSA-N 314.410 2.955 0 40 DFAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCC2)c([N+](=O)[O-])n1 5970335 AEZNKRSYHDXCGH-LLVKDONJSA-N 307.350 2.514 0 40 DFAB 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CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)CC1 84718340 RDRMYCITUQMKMM-RTBURBONSA-N 322.408 2.634 0 40 DFAB CC(C)c1nc(Cc2nc3scc(C(C)C)c3c(=O)[nH]2)n[nH]1 95464196 DIOYNUOFROIHLQ-UHFFFAOYSA-N 317.418 2.940 0 40 DFAB CCCCc1cc(NC(=O)c2ncoc2[C@H]2CCCO2)[nH]n1 95431431 NQBAMJBHOQAWQV-LLVKDONJSA-N 304.350 2.844 0 40 DFAB Cc1nonc1CC(=O)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412785 DTYXZRBYKUMVLK-DTTOXWODSA-N 311.385 2.619 0 40 DFAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 408709024 WNOGCVZIBZKHPZ-INIZCTEOSA-N 302.418 2.683 0 40 DFAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccc(O)cc2oc1=O 408815954 RYZPKCMZAWHMMN-HZMBPMFUSA-N 301.342 2.807 0 40 DFAB O=C(O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1 408559314 ZEINDEVWHFTPQD-UHFFFAOYSA-N 303.299 2.715 0 40 DFAB CCOc1ncc(C(=O)NCCCCn2ccnc2)cc1Cl 79028353 BIHPCOQRKPMBAS-UHFFFAOYSA-N 322.796 2.540 0 40 DFAB O=C(c1nccn2ccnc12)N1CCSC[C@H]1c1ccccc1 73730795 UDRLRVWGEKMNOR-AWEZNQCLSA-N 324.409 2.660 0 40 DFAB COc1cccc(NC(=O)NCC[C@@H](O)C(C)(C)C)c1OC 75157877 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CCOC(=O)c1cnc2cc(-c3cccc(OC)c3)nn2c1C 226106999 YQSVYWROIPOQKQ-UHFFFAOYSA-N 311.341 2.890 0 40 DFAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)O)o1 195551217 HGMXIRLHCCXVMI-QWRGUYRKSA-N 305.355 2.768 0 40 DFAB CCOC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cn(C)nc21 96059843 QNXFEDYWXQSNNT-MRXNPFEDSA-N 315.417 2.565 0 40 DFAB c1cncc(OC[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1 96187954 JQTSUHZCTRAUPQ-MRXNPFEDSA-N 324.384 2.582 0 40 DFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2cc(C)no2)cc1 583615648 WUFWPSIGBASKES-QZTJIDSGSA-N 316.401 2.864 0 40 DFAB CC(=O)N1CCC(CCN[C@@H](C)Cc2ccc(F)cc2)CC1 96479240 QTLAENBWJUIFDW-AWEZNQCLSA-N 306.425 2.995 0 40 DFAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(F)cc1 96518641 FNROJIAHQLWOLS-LLVKDONJSA-N 323.183 2.554 0 40 DFAB CCN1CCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)CC1 96183934 IWGKRHYZSYZPPU-UHFFFAOYSA-N 318.348 2.989 0 40 DFAB Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]1C(=O)NC1CC1 97095236 MDZLIZJJVHHHJY-ZDUSSCGKSA-N 321.808 2.923 0 40 DFAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(C[C@@H](C(C)C)CO2)C1 96073369 FULVSQCDNOPWIN-RHSMWYFYSA-N 306.406 2.959 0 40 DFAB O=C(c1ccco1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039813 CIZWLHNTTZUYMW-FUHWJXTLSA-N 319.401 2.718 0 40 DFAB CN(C)c1nc([C@H]2CCCN2Cc2cnccn2)cn2cccc12 257314944 UZFNWPOHDPLRAM-MRXNPFEDSA-N 322.416 2.527 0 40 DFAB COc1cccc(CN[C@H](C)[C@@H](O)c2ccc(F)c(F)c2)n1 252509400 YMWLITJNFVCIGB-QLJPJBMISA-N 308.328 2.580 0 40 DFAB CO[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@]12CCCO2 257344457 ZXHJSRBCTZUZFV-RDJZCZTQSA-N 323.820 2.679 0 40 DFAB Cc1cccn2c(=O)cc(CN(Cc3ccco3)C3CC3)nc12 26928418 PXBPTIPOQGIZIY-UHFFFAOYSA-N 309.369 2.761 0 40 DFAB Cc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(C)n2)cc1 257173789 XAYADIBMSKXJFU-UHFFFAOYSA-N 309.413 2.753 0 40 DFAB CCCn1nccc1-c1cc(C)nc(CC2CCN(C)CC2)n1 257221781 DQMFSRWUUDAKQX-UHFFFAOYSA-N 313.449 2.943 0 40 DFAB Cc1nn(C)c(C)c1CN(C)[C@@H]1CCCN(c2ccccn2)C1 257300835 RVWGTTGYQFKJNC-MRXNPFEDSA-N 313.449 2.533 0 40 DFAB COc1ccccc1CN1CCC[C@@H](Cc2nccnc2N)C1 257339961 ZDXUPLYQMVKWEI-AWEZNQCLSA-N 312.417 2.522 0 40 DFAB Fc1ccc(N2CCC[C@H](c3cncc(-c4ncc[nH]4)n3)C2)nc1 257306964 SWSUUFSQQZBIKQ-LBPRGKRZSA-N 324.363 2.785 0 40 DFAB Cc1nccc(C[C@H]2CCC[C@@H]3CN(c4cncnc4)C[C@@H]32)n1 257334099 YENLFHRDEZXXRD-IIDMSEBBSA-N 309.417 2.670 0 40 DFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)c1ccccc1 27174706 PJKMXVZRXSGLQI-UHFFFAOYSA-N 303.383 2.675 0 40 DFAB Cc1c[nH]c([C@@H]2CN(CCCOc3ccccc3F)CCO2)n1 257226888 FMPRRSPHWKUWSF-INIZCTEOSA-N 319.380 2.700 0 40 DFAB CNc1cc([C@H]2CCCN2C(=O)Cc2cccs2)nc(C)n1 257208511 BMLSQMQZKKMENU-CQSZACIVSA-N 316.430 2.794 0 40 DFAB COC1CCN(c2ccc(NC(=O)c3ccncc3)cc2)CC1 96104455 PZADDNRRYBHFIP-UHFFFAOYSA-N 311.385 2.949 0 40 DFAB C[C@@]1(CNC(=O)N2CCC[C@@H]2CCO)C[C@H]1c1ccccc1 577987380 ZVEHAYNSYIEHBH-RYRKJORJSA-N 302.418 2.737 0 40 DFAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F 653471420 IKNPFMAMEIEWJN-LLVKDONJSA-N 301.264 2.843 0 40 DFAB Cc1noc(C)c1CN1CCN(C(=O)C2CCCCC2)CC1 44448638 MTXZNDHDVOUKEQ-UHFFFAOYSA-N 305.422 2.516 0 40 DFAB Cc1nccn1-c1ncccc1NC(=O)[C@@H]1Cc2ccccc2O1 57222145 DBJHNOGJSPTHFZ-INIZCTEOSA-N 320.352 2.518 0 40 DFAB COc1cc(C)c(S(=O)(=O)N(C)c2ccccn2)c(C)c1 75120868 SWHNSOICSXROCJ-UHFFFAOYSA-N 306.387 2.532 0 40 DFAB CC[C@H](NC(=O)c1ccc(C)[nH]c1=O)c1cc(F)ccc1F 96419025 JQGUXTWZVXITPE-AWEZNQCLSA-N 306.312 2.843 0 40 DFAB CCOC(=O)N1CCN(Cc2ccc3cc(F)ccc3n2)CC1 96837483 NTWGYFBFZNYIOX-UHFFFAOYSA-N 317.364 2.648 0 40 DFAB O=S(=O)(C[C@@H]1CC1(Cl)Cl)C[C@@H]1CC1(Cl)Cl 194039 HCHRVSLOUYCOSJ-WDSKDSINSA-N 312.045 2.789 0 40 DFAB COc1ccc(-c2cc(CC(=O)Nc3cccnc3)no2)cc1 12634111 UTKDONHQOOMSCM-UHFFFAOYSA-N 309.325 2.926 0 40 DFAB CCc1ccc(NC(=S)NCC(C)(C)N2CCOCC2)cc1 19309242 UIVNLKKZGQECNE-UHFFFAOYSA-N 321.490 2.646 0 40 DFAB CC(C)(C)c1cn2nc(C(=O)NCCc3ccccc3)ccc2n1 1888910390 WWMBITAFFZZTQW-UHFFFAOYSA-N 322.412 2.999 0 40 DFAB O=C(NCC1(c2ccsc2)CC1)[C@@H]1COc2ccccc2O1 1889125229 DJVYBLRCRBPQJK-HNNXBMFYSA-N 315.394 2.736 0 40 DFAB O=C(c1ccnc(Cl)c1)N1CCN(c2ccccc2)CC1 21519482 MMRZRMNPKDJERG-UHFFFAOYSA-N 301.777 2.697 0 40 DFAB Clc1cnc(NC[C@@H](c2ccsc2)N2CCOCC2)nc1 1775969638 DJBHEHSDXUGBOK-ZDUSSCGKSA-N 324.837 2.677 0 40 DFAB O=C(/C=C/c1ccco1)NC[C@@H](c1cccs1)n1cccn1 575609433 BQOCDJKUMYSSPJ-UZYOAWRESA-N 313.382 2.957 0 40 DFAB C[C@@H]1CCC/C(=C\c2ccc(C=O)cc2)[C@@]1(O)Cn1cncn1 5396048 MEANSQQGJBBDKN-ZMMHLOTBSA-N 311.385 2.725 0 40 DFAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccccc1 10463326 KIZVCFXEMJGDCS-UHFFFAOYSA-N 308.381 2.786 0 40 DFAB CCCn1nnnc1CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 40088665 BRCDJXRTSQKGDR-SWLSCSKDSA-N 315.421 2.964 0 40 DFAB O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31129151 NQRUJMWCQYGVBI-IUODEOHRSA-N 300.358 2.713 0 40 DFAB CCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 144632 AMUFGJKIVIZXBN-ZJUUUORDSA-N 320.414 2.707 0 40 DFAB CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)C 127069 YJUSJVCLVSRGEO-HNNXBMFYSA-N 318.373 2.665 0 40 DFAB CC(C)c1ccc2oc(=O)cc(CN3CCN(C)CC3)c2c1 20590279 MOBXOCRXCKGZQA-UHFFFAOYSA-N 300.402 2.664 0 40 DFAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)cc2)[C@@H]1c1ccccc1 20722953 LNBCWBZZQJTRDV-WBVHZDCISA-N 310.353 2.550 0 40 DFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)s1 21013194 DTQGSGPMHGEZGD-UHFFFAOYSA-N 315.347 2.695 0 40 DFAB C[C@H](NC(=O)COC(=O)c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 102167225 CLQZHPGGLYTJNT-PWNZVWSESA-N 319.376 2.923 0 40 DFAB COc1ncccc1CNC(=O)N[C@@H](C)CCc1ccccc1 32794799 LNWFKBHCNSGASB-AWEZNQCLSA-N 313.401 2.911 0 40 DFAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)on1 32860371 WTNIKFMSNWDAIY-GFCCVEGCSA-N 314.341 2.508 0 40 DFAB Cc1cccc(NC(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 32912553 OKPYKCNQNHTYTO-QGZVFWFLSA-N 317.433 2.714 0 40 DFAB